1 ASN 3 N 0.0204 0.0119 -0.0084 2 ASN 3 HN 0.0180 0.0125 -0.0048 3 ASN 3 CA 0.0188 0.0068 -0.0118 4 ASN 3 HA 0.0215 0.0063 -0.0157 5 ASN 3 CB 0.0145 0.0029 -0.0106 6 ASN 3 HB1 0.0133 -0.0010 -0.0131 7 ASN 3 HB2 0.0117 0.0034 -0.0065 8 ASN 3 CG 0.0158 0.0036 -0.0114 9 ASN 3 OD1 0.0175 0.0016 -0.0157 10 ASN 3 ND2 0.0148 0.0064 -0.0073 11 ASN 3 HD21 0.0157 0.0069 -0.0078 12 ASN 3 HD22 0.0141 0.0086 -0.0040 13 ASN 3 C 0.0177 0.0055 -0.0117 14 ASN 3 O 0.0178 0.0085 -0.0088 15 ARG 4 N 0.0008 -0.0024 -0.0116 16 ARG 4 HN 0.0008 -0.0022 -0.0130 17 ARG 4 CA -0.0008 -0.0029 -0.0110 18 ARG 4 HA -0.0005 -0.0031 -0.0096 19 ARG 4 CB -0.0011 -0.0028 -0.0122 20 ARG 4 HB1 -0.0022 -0.0032 -0.0116 21 ARG 4 HB2 -0.0017 -0.0028 -0.0136 22 ARG 4 CG 0.0005 -0.0024 -0.0126 23 ARG 4 HG1 0.0000 -0.0024 -0.0135 24 ARG 4 HG2 0.0015 -0.0020 -0.0134 25 ARG 4 CD 0.0015 -0.0024 -0.0109 26 ARG 4 HD1 0.0021 -0.0023 -0.0100 27 ARG 4 HD2 0.0006 -0.0027 -0.0100 28 ARG 4 NE 0.0030 -0.0019 -0.0115 29 ARG 4 HE 0.0029 -0.0017 -0.0128 30 ARG 4 CZ 0.0045 -0.0016 -0.0106 31 ARG 4 NH1 0.0049 -0.0018 -0.0089 32 ARG 4 HH11 0.0041 -0.0020 -0.0085 33 ARG 4 HH12 0.0061 -0.0015 -0.0084 34 ARG 4 NH2 0.0057 -0.0012 -0.0114 35 ARG 4 HH21 0.0069 -0.0010 -0.0107 36 ARG 4 HH22 0.0055 -0.0011 -0.0127 37 ARG 4 C -0.0025 -0.0034 -0.0110 38 ARG 4 O -0.0038 -0.0039 -0.0101 39 ALA 5 N -0.0021 -0.0031 -0.0052 40 ALA 5 HN -0.0024 -0.0032 -0.0050 41 ALA 5 CA -0.0023 -0.0038 -0.0050 42 ALA 5 HA -0.0018 -0.0037 -0.0052 43 ALA 5 CB -0.0023 -0.0049 -0.0047 44 ALA 5 HB1 -0.0025 -0.0054 -0.0045 45 ALA 5 HB2 -0.0015 -0.0052 -0.0050 46 ALA 5 HB3 -0.0027 -0.0050 -0.0044 47 ALA 5 C -0.0032 -0.0034 -0.0046 48 ALA 5 O -0.0039 -0.0030 -0.0043 49 PHE 6 N -0.0041 -0.0020 -0.0070 50 PHE 6 HN -0.0042 -0.0030 -0.0076 51 PHE 6 CA -0.0049 -0.0017 -0.0054 52 PHE 6 HA -0.0047 -0.0008 -0.0049 53 PHE 6 CB -0.0048 -0.0010 -0.0050 54 PHE 6 HB1 -0.0054 -0.0010 -0.0039 55 PHE 6 HB2 -0.0047 -0.0017 -0.0058 56 PHE 6 CG -0.0039 0.0007 -0.0053 57 PHE 6 CD1 -0.0030 0.0011 -0.0067 58 PHE 6 HD1 -0.0028 0.0002 -0.0077 59 PHE 6 CE1 -0.0022 0.0027 -0.0069 60 PHE 6 HE1 -0.0014 0.0030 -0.0080 61 PHE 6 CZ -0.0023 0.0039 -0.0056 62 PHE 6 HZ -0.0017 0.0051 -0.0058 63 PHE 6 CD2 -0.0041 0.0020 -0.0040 64 PHE 6 HD2 -0.0048 0.0017 -0.0029 65 PHE 6 CE2 -0.0033 0.0035 -0.0042 66 PHE 6 HE2 -0.0034 0.0045 -0.0032 67 PHE 6 C -0.0059 -0.0030 -0.0046 68 PHE 6 O -0.0062 -0.0044 -0.0052 69 LYS 7 N -0.0051 -0.0014 0.0033 70 LYS 7 HN -0.0071 0.0001 0.0028 71 LYS 7 CA -0.0053 -0.0029 0.0052 72 LYS 7 HA -0.0030 -0.0044 0.0055 73 LYS 7 CB -0.0076 -0.0039 0.0082 74 LYS 7 HB1 -0.0068 -0.0051 0.0091 75 LYS 7 HB2 -0.0076 -0.0049 0.0095 76 LYS 7 CG -0.0110 -0.0020 0.0082 77 LYS 7 HG1 -0.0115 -0.0005 0.0067 78 LYS 7 HG2 -0.0111 -0.0013 0.0074 79 LYS 7 CD -0.0133 -0.0029 0.0111 80 LYS 7 HD1 -0.0131 -0.0042 0.0125 81 LYS 7 HD2 -0.0127 -0.0039 0.0119 82 LYS 7 CE -0.0167 -0.0010 0.0111 83 LYS 7 HE1 -0.0181 -0.0018 0.0132 84 LYS 7 HE2 -0.0168 0.0004 0.0095 85 LYS 7 NZ -0.0181 0.0002 0.0106 86 LYS 7 HZ1 -0.0187 -0.0009 0.0124 87 LYS 7 HZ2 -0.0165 0.0005 0.0090 88 LYS 7 HZ3 -0.0200 0.0018 0.0100 89 LYS 7 C -0.0059 -0.0016 0.0041 90 LYS 7 O -0.0073 0.0006 0.0023 91 SER 8 N 0.0018 0.0029 0.0037 92 SER 8 HN 0.0021 0.0038 0.0041 93 SER 8 CA 0.0037 0.0004 0.0041 94 SER 8 HA 0.0037 0.0000 0.0040 95 SER 8 CB 0.0031 -0.0023 0.0028 96 SER 8 HB1 0.0012 -0.0027 0.0014 97 SER 8 HB2 0.0044 -0.0043 0.0031 98 SER 8 OG 0.0031 -0.0021 0.0029 99 SER 8 HG1 0.0019 -0.0005 0.0026 100 SER 8 C 0.0062 0.0009 0.0060 101 SER 8 O 0.0065 0.0028 0.0069 102 HIS 9 N 0.0157 0.0120 0.0105 103 HIS 9 HN 0.0159 0.0112 0.0125 104 HIS 9 CA 0.0160 0.0116 0.0119 105 HIS 9 HA 0.0169 0.0109 0.0149 106 HIS 9 CB 0.0126 0.0092 0.0111 107 HIS 9 HB1 0.0128 0.0088 0.0122 108 HIS 9 HB2 0.0114 0.0096 0.0080 109 HIS 9 CD2 0.0080 0.0050 0.0118 110 HIS 9 HD2 0.0067 0.0053 0.0090 111 HIS 9 CG 0.0106 0.0066 0.0131 112 HIS 9 NE2 0.0074 0.0029 0.0150 113 HIS 9 HE2 0.0057 0.0015 0.0151 114 HIS 9 ND1 0.0115 0.0055 0.0169 115 HIS 9 HD1 0.0133 0.0062 0.0186 116 HIS 9 CE1 0.0095 0.0033 0.0180 117 HIS 9 HE1 0.0096 0.0020 0.0209 118 HIS 9 C 0.0184 0.0142 0.0108 119 HIS 9 O 0.0213 0.0160 0.0119 120 HIS 10 N 0.0514 0.0336 -0.0273 121 HIS 10 HN 0.0670 0.0303 -0.0267 122 HIS 10 CA 0.0308 0.0056 -0.0187 123 HIS 10 HA 0.0094 0.0135 -0.0204 124 HIS 10 CB 0.0173 -0.0134 -0.0130 125 HIS 10 HB1 0.0004 -0.0339 -0.0067 126 HIS 10 HB2 0.0392 -0.0244 -0.0105 127 HIS 10 CD2 0.0034 0.0147 -0.0206 128 HIS 10 HD2 0.0258 0.0092 -0.0196 129 HIS 10 CG -0.0031 0.0074 -0.0184 130 HIS 10 NE2 -0.0261 0.0299 -0.0242 131 HIS 10 HE2 -0.0303 0.0376 -0.0262 132 HIS 10 ND1 -0.0356 0.0175 -0.0204 133 HIS 10 HD1 -0.0472 0.0149 -0.0193 134 HIS 10 CE1 -0.0487 0.0310 -0.0239 135 HIS 10 HE1 -0.0746 0.0413 -0.0261 136 HIS 10 C 0.0520 -0.0196 -0.0122 137 HIS 10 O 0.0403 -0.0471 -0.0040 138 GLY 11 N 0.0225 -0.0023 0.0165 139 GLY 11 HN 0.0220 -0.0051 0.0148 140 GLY 11 CA 0.0185 0.0005 0.0181 141 GLY 11 HA1 0.0194 0.0033 0.0199 142 GLY 11 HA2 0.0158 -0.0009 0.0171 143 GLY 11 C 0.0165 0.0012 0.0185 144 GLY 11 O 0.0130 0.0033 0.0196 145 HIS 12 N 0.0054 0.0080 0.0086 146 HIS 12 HN 0.0089 0.0052 0.0102 147 HIS 12 CA -0.0008 0.0068 0.0067 148 HIS 12 HA -0.0023 0.0115 0.0055 149 HIS 12 CB -0.0003 0.0018 0.0076 150 HIS 12 HB1 -0.0052 0.0003 0.0062 151 HIS 12 HB2 0.0020 -0.0028 0.0091 152 HIS 12 CD2 0.0017 0.0036 0.0080 153 HIS 12 HD2 -0.0023 0.0008 0.0071 154 HIS 12 CG 0.0032 0.0045 0.0084 155 HIS 12 NE2 0.0063 0.0073 0.0090 156 HIS 12 HE2 0.0066 0.0077 0.0091 157 HIS 12 ND1 0.0088 0.0085 0.0097 158 HIS 12 HD1 0.0111 0.0098 0.0102 159 HIS 12 CE1 0.0105 0.0101 0.0100 160 HIS 12 HE1 0.0146 0.0135 0.0108 161 HIS 12 C -0.0061 0.0040 0.0054 162 HIS 12 O -0.0048 0.0002 0.0064 163 PHE 13 N -0.0047 0.0002 0.0026 164 PHE 13 HN -0.0043 0.0019 0.0034 165 PHE 13 CA -0.0073 -0.0011 0.0031 166 PHE 13 HA -0.0077 -0.0025 0.0025 167 PHE 13 CB -0.0090 0.0005 0.0050 168 PHE 13 HB1 -0.0110 -0.0005 0.0054 169 PHE 13 HB2 -0.0088 0.0019 0.0057 170 PHE 13 CG -0.0085 0.0018 0.0055 171 PHE 13 CD1 -0.0088 0.0006 0.0049 172 PHE 13 HD1 -0.0094 -0.0013 0.0041 173 PHE 13 CE1 -0.0082 0.0017 0.0053 174 PHE 13 HE1 -0.0084 0.0007 0.0048 175 PHE 13 CZ -0.0074 0.0042 0.0064 176 PHE 13 HZ -0.0069 0.0051 0.0067 177 PHE 13 CD2 -0.0077 0.0043 0.0066 178 PHE 13 HD2 -0.0075 0.0053 0.0071 179 PHE 13 CE2 -0.0071 0.0055 0.0070 180 PHE 13 HE2 -0.0065 0.0074 0.0078 181 PHE 13 C -0.0076 -0.0022 0.0027 182 PHE 13 O -0.0065 -0.0012 0.0026 183 LEU 14 N -0.0037 -0.0019 -0.0072 184 LEU 14 HN -0.0042 -0.0012 -0.0072 185 LEU 14 CA -0.0037 -0.0027 -0.0084 186 LEU 14 HA -0.0030 -0.0034 -0.0082 187 LEU 14 CB -0.0041 -0.0026 -0.0091 188 LEU 14 HB1 -0.0041 -0.0033 -0.0099 189 LEU 14 HB2 -0.0048 -0.0019 -0.0093 190 LEU 14 CG -0.0036 -0.0028 -0.0084 191 LEU 14 HG -0.0037 -0.0021 -0.0077 192 LEU 14 CD1 -0.0040 -0.0028 -0.0092 193 LEU 14 HD11 -0.0040 -0.0035 -0.0100 194 LEU 14 HD12 -0.0037 -0.0029 -0.0088 195 LEU 14 HD13 -0.0048 -0.0021 -0.0095 196 LEU 14 CD2 -0.0026 -0.0038 -0.0081 197 LEU 14 HD21 -0.0023 -0.0037 -0.0074 198 LEU 14 HD22 -0.0023 -0.0039 -0.0077 199 LEU 14 HD23 -0.0025 -0.0045 -0.0088 200 LEU 14 C -0.0042 -0.0025 -0.0090 201 LEU 14 O -0.0049 -0.0016 -0.0091 202 SER 15 N -0.0046 -0.0031 -0.0095 203 SER 15 HN -0.0027 -0.0027 -0.0106 204 SER 15 CA -0.0042 -0.0030 -0.0070 205 SER 15 HA -0.0064 -0.0035 -0.0066 206 SER 15 CB -0.0030 -0.0027 -0.0037 207 SER 15 HB1 -0.0023 -0.0025 -0.0020 208 SER 15 HB2 -0.0010 -0.0022 -0.0040 209 SER 15 OG -0.0056 -0.0032 -0.0021 210 SER 15 HG1 -0.0069 -0.0036 -0.0039 211 SER 15 C -0.0018 -0.0024 -0.0081 212 SER 15 O 0.0004 -0.0020 -0.0100 213 ALA 16 N 0.0076 -0.0016 0.0025 214 ALA 16 HN 0.0071 -0.0032 0.0038 215 ALA 16 CA 0.0101 0.0003 0.0026 216 ALA 16 HA 0.0104 0.0019 0.0010 217 ALA 16 CB 0.0099 0.0002 0.0026 218 ALA 16 HB1 0.0082 0.0003 0.0008 219 ALA 16 HB2 0.0096 -0.0015 0.0042 220 ALA 16 HB3 0.0117 0.0016 0.0025 221 ALA 16 C 0.0124 0.0000 0.0050 222 ALA 16 O 0.0124 -0.0019 0.0070 223 GLU 17 N 0.0049 -0.0014 0.0096 224 GLU 17 HN 0.0077 -0.0003 0.0007 225 GLU 17 CA 0.0122 0.0048 0.0196 226 GLU 17 HA 0.0079 0.0026 0.0288 227 GLU 17 CB 0.0206 0.0109 0.0205 228 GLU 17 HB1 0.0275 0.0163 0.0255 229 GLU 17 HB2 0.0235 0.0119 0.0105 230 GLU 17 CG 0.0170 0.0091 0.0279 231 GLU 17 HG1 0.0104 0.0039 0.0233 232 GLU 17 HG2 0.0145 0.0083 0.0380 233 GLU 17 CD 0.0263 0.0157 0.0281 234 GLU 17 OE1 0.0247 0.0144 0.0267 235 GLU 17 OE2 0.0356 0.0223 0.0278 236 GLU 17 C 0.0185 0.0091 0.0170 237 GLU 17 O 0.0234 0.0115 0.0067 238 GLY 18 N 0.0100 0.0085 0.0144 239 GLY 18 HN 0.0071 0.0105 0.0175 240 GLY 18 CA 0.0094 0.0073 0.0138 241 GLY 18 HA1 0.0138 0.0097 0.0135 242 GLY 18 HA2 0.0053 0.0085 0.0168 243 GLY 18 C 0.0082 0.0013 0.0094 244 GLY 18 O 0.0030 -0.0021 0.0093 245 GLU 19 N 0.0002 0.0084 0.0057 246 GLU 19 HN -0.0008 0.0117 0.0031 247 GLU 19 CA 0.0009 -0.0020 0.0141 248 GLU 19 HA -0.0001 -0.0050 0.0167 249 GLU 19 CB -0.0096 -0.0056 0.0178 250 GLU 19 HB1 -0.0087 -0.0136 0.0243 251 GLU 19 HB2 -0.0085 -0.0027 0.0153 252 GLU 19 CG -0.0228 -0.0031 0.0166 253 GLU 19 HG1 -0.0246 0.0048 0.0102 254 GLU 19 HG2 -0.0242 -0.0064 0.0193 255 GLU 19 CD -0.0327 -0.0071 0.0204 256 GLU 19 OE1 -0.0308 -0.0153 0.0271 257 GLU 19 OE2 -0.0423 -0.0019 0.0168 258 GLU 19 C 0.0132 -0.0060 0.0166 259 GLU 19 O 0.0144 -0.0145 0.0235 260 ALA 20 N 0.0067 -0.0006 0.0064 261 ALA 20 HN 0.0068 -0.0005 0.0057 262 ALA 20 CA 0.0077 -0.0014 0.0035 263 ALA 20 HA 0.0080 -0.0027 0.0048 264 ALA 20 CB 0.0066 0.0018 0.0012 265 ALA 20 HB1 0.0072 0.0013 -0.0008 266 ALA 20 HB2 0.0053 0.0036 0.0031 267 ALA 20 HB3 0.0062 0.0031 -0.0002 268 ALA 20 C 0.0094 -0.0039 0.0010 269 ALA 20 O 0.0098 -0.0048 0.0010 270 VAL 21 N 0.0044 -0.0035 -0.0082 271 VAL 21 HN 0.0041 -0.0027 -0.0082 272 VAL 21 CA 0.0047 -0.0051 -0.0096 273 VAL 21 HA 0.0051 -0.0060 -0.0096 274 VAL 21 CB 0.0053 -0.0063 -0.0094 275 VAL 21 HB 0.0049 -0.0055 -0.0096 276 VAL 21 CG1 0.0057 -0.0081 -0.0108 277 VAL 21 HG11 0.0051 -0.0078 -0.0123 278 VAL 21 HG12 0.0061 -0.0089 -0.0106 279 VAL 21 HG13 0.0061 -0.0089 -0.0106 280 VAL 21 CG2 0.0061 -0.0068 -0.0073 281 VAL 21 HG21 0.0066 -0.0078 -0.0071 282 VAL 21 HG22 0.0065 -0.0075 -0.0069 283 VAL 21 HG23 0.0059 -0.0056 -0.0062 284 VAL 21 C 0.0039 -0.0044 -0.0116 285 VAL 21 O 0.0032 -0.0030 -0.0118 286 LYS 22 N -0.0012 -0.0055 -0.0165 287 LYS 22 HN -0.0006 -0.0069 -0.0162 288 LYS 22 CA -0.0011 -0.0034 -0.0206 289 LYS 22 HA -0.0013 -0.0029 -0.0209 290 LYS 22 CB -0.0029 0.0006 -0.0213 291 LYS 22 HB1 -0.0045 0.0022 -0.0186 292 LYS 22 HB2 -0.0030 0.0024 -0.0243 293 LYS 22 CG -0.0027 0.0001 -0.0214 294 LYS 22 HG1 -0.0016 0.0000 -0.0247 295 LYS 22 HG2 -0.0017 -0.0027 -0.0195 296 LYS 22 CD -0.0049 0.0033 -0.0194 297 LYS 22 HD1 -0.0043 0.0023 -0.0193 298 LYS 22 HD2 -0.0059 0.0034 -0.0161 299 LYS 22 CE -0.0062 0.0075 -0.0219 300 LYS 22 HE1 -0.0070 0.0088 -0.0217 301 LYS 22 HE2 -0.0051 0.0073 -0.0253 302 LYS 22 NZ -0.0080 0.0101 -0.0203 303 LYS 22 HZ1 -0.0089 0.0128 -0.0221 304 LYS 22 HZ2 -0.0092 0.0104 -0.0171 305 LYS 22 HZ3 -0.0073 0.0085 -0.0201 306 LYS 22 C 0.0012 -0.0059 -0.0240 307 LYS 22 O 0.0024 -0.0086 -0.0233 308 THR 23 N -0.0053 -0.0080 -0.0190 309 THR 23 HN -0.0045 -0.0102 -0.0185 310 THR 23 CA -0.0044 -0.0054 -0.0167 311 THR 23 HA -0.0053 -0.0033 -0.0173 312 THR 23 CB -0.0026 -0.0063 -0.0141 313 THR 23 HB -0.0017 -0.0085 -0.0134 314 THR 23 OG1 -0.0027 -0.0071 -0.0146 315 THR 23 HG1 -0.0015 -0.0079 -0.0128 316 THR 23 CG2 -0.0018 -0.0036 -0.0117 317 THR 23 HG21 -0.0005 -0.0042 -0.0099 318 THR 23 HG22 -0.0014 -0.0030 -0.0109 319 THR 23 HG23 -0.0027 -0.0014 -0.0124 320 THR 23 C -0.0042 -0.0045 -0.0160 321 THR 23 O -0.0038 -0.0066 -0.0161 322 HIS 24 N -0.0117 -0.0016 -0.0088 323 HIS 24 HN -0.0140 -0.0008 -0.0093 324 HIS 24 CA -0.0110 -0.0005 -0.0056 325 HIS 24 HA -0.0083 -0.0014 -0.0049 326 HIS 24 CB -0.0131 0.0003 -0.0060 327 HIS 24 HB1 -0.0159 0.0012 -0.0068 328 HIS 24 HB2 -0.0122 -0.0011 -0.0082 329 HIS 24 CD2 -0.0149 0.0029 -0.0018 330 HIS 24 HD2 -0.0176 0.0037 -0.0029 331 HIS 24 CG -0.0126 0.0014 -0.0029 332 HIS 24 NE2 -0.0131 0.0034 0.0010 333 HIS 24 HE2 -0.0139 0.0043 0.0023 334 HIS 24 ND1 -0.0094 0.0009 -0.0009 335 HIS 24 HD1 -0.0072 -0.0002 -0.0011 336 HIS 24 CE1 -0.0098 0.0021 0.0014 337 HIS 24 HE1 -0.0077 0.0021 0.0035 338 HIS 24 C -0.0120 0.0013 -0.0025 339 HIS 24 O -0.0146 0.0024 -0.0027 340 HIS 25 N -0.0136 -0.0013 0.0246 341 HIS 25 HN -0.0161 -0.0118 0.0220 342 HIS 25 CA -0.0084 0.0099 0.0340 343 HIS 25 HA -0.0043 0.0149 0.0427 344 HIS 25 CB -0.0065 0.0006 0.0424 345 HIS 25 HB1 -0.0044 -0.0086 0.0513 346 HIS 25 HB2 -0.0028 0.0094 0.0487 347 HIS 25 CD2 -0.0140 -0.0051 0.0250 348 HIS 25 HD2 -0.0122 0.0062 0.0254 349 HIS 25 CG -0.0120 -0.0089 0.0315 350 HIS 25 NE2 -0.0191 -0.0188 0.0168 351 HIS 25 HE2 -0.0217 -0.0197 0.0102 352 HIS 25 ND1 -0.0156 -0.0248 0.0279 353 HIS 25 HD1 -0.0152 -0.0309 0.0313 354 HIS 25 CE1 -0.0199 -0.0302 0.0188 355 HIS 25 HE1 -0.0236 -0.0424 0.0137 356 HIS 25 C -0.0100 0.0247 0.0243 357 HIS 25 O -0.0058 0.0377 0.0306 358 GLY 26 N -0.0141 0.0185 0.0229 359 GLY 26 HN -0.0110 0.0156 0.0193 360 GLY 26 CA -0.0163 0.0211 0.0228 361 GLY 26 HA1 -0.0201 0.0257 0.0221 362 GLY 26 HA2 -0.0141 0.0195 0.0184 363 GLY 26 C -0.0163 0.0195 0.0298 364 GLY 26 O -0.0134 0.0151 0.0340 365 HIS 27 N -0.0111 0.0149 0.0505 366 HIS 27 HN 0.0026 0.0000 0.0689 367 HIS 27 CA -0.0038 0.0351 0.0084 368 HIS 27 HA 0.0283 0.0262 0.0033 369 HIS 27 CB -0.0050 0.0534 -0.0248 370 HIS 27 HB1 0.0024 0.0673 -0.0553 371 HIS 27 HB2 -0.0373 0.0635 -0.0219 372 HIS 27 CD2 0.0240 0.0373 -0.0143 373 HIS 27 HD2 -0.0051 0.0443 -0.0077 374 HIS 27 CG 0.0284 0.0400 -0.0221 375 HIS 27 NE2 0.0652 0.0226 -0.0144 376 HIS 27 HE2 0.0734 0.0159 -0.0075 377 HIS 27 ND1 0.0717 0.0275 -0.0278 378 HIS 27 HD1 0.0842 0.0265 -0.0342 379 HIS 27 CE1 0.0926 0.0172 -0.0227 380 HIS 27 HE1 0.1277 0.0054 -0.0243 381 HIS 27 C -0.0359 0.0476 0.0065 382 HIS 27 O -0.0733 0.0522 0.0229 383 HIS 28 N -0.0149 0.0056 0.0260 384 HIS 28 HN -0.0247 -0.0033 0.0243 385 HIS 28 CA 0.0362 -0.0146 0.0185 386 HIS 28 HA 0.0519 -0.0349 0.0127 387 HIS 28 CB 0.0326 -0.0575 0.0080 388 HIS 28 HB1 0.0105 -0.0908 0.0009 389 HIS 28 HB2 0.0736 -0.0715 0.0025 390 HIS 28 CD2 -0.0387 -0.0685 0.0089 391 HIS 28 HD2 -0.0639 -0.0996 0.0025 392 HIS 28 CG 0.0050 -0.0448 0.0126 393 HIS 28 NE2 -0.0495 -0.0480 0.0145 394 HIS 28 HE2 -0.0792 -0.0585 0.0134 395 HIS 28 ND1 0.0221 -0.0090 0.0206 396 HIS 28 HD1 0.0536 0.0148 0.0249 397 HIS 28 CE1 -0.0121 -0.0122 0.0215 398 HIS 28 HE1 -0.0096 0.0139 0.0278 399 HIS 28 C 0.0813 0.0239 0.0257 400 HIS 28 O 0.1281 0.0111 0.0202 401 ASP 29 N 0.0010 0.0080 0.0039 402 ASP 29 HN 0.0007 0.0080 0.0041 403 ASP 29 CA 0.0017 0.0086 0.0030 404 ASP 29 HA 0.0025 0.0081 0.0029 405 ASP 29 CB 0.0019 0.0090 0.0027 406 ASP 29 HB1 0.0024 0.0095 0.0020 407 ASP 29 HB2 0.0011 0.0094 0.0029 408 ASP 29 CG 0.0024 0.0081 0.0030 409 ASP 29 OD1 0.0023 0.0082 0.0030 410 ASP 29 OD2 0.0028 0.0072 0.0033 411 ASP 29 C 0.0014 0.0095 0.0026 412 ASP 29 O 0.0004 0.0101 0.0028 413 HIS 30 N -0.0195 -0.0162 -0.0128 414 HIS 30 HN -0.0206 -0.0146 -0.0117 415 HIS 30 CA -0.0197 -0.0191 -0.0115 416 HIS 30 HA -0.0186 -0.0204 -0.0128 417 HIS 30 CB -0.0213 -0.0190 -0.0091 418 HIS 30 HB1 -0.0214 -0.0213 -0.0082 419 HIS 30 HB2 -0.0224 -0.0179 -0.0077 420 HIS 30 CD2 -0.0224 -0.0150 -0.0088 421 HIS 30 HD2 -0.0234 -0.0135 -0.0076 422 HIS 30 CG -0.0213 -0.0175 -0.0096 423 HIS 30 NE2 -0.0218 -0.0147 -0.0097 424 HIS 30 HE2 -0.0223 -0.0130 -0.0096 425 HIS 30 ND1 -0.0201 -0.0187 -0.0110 426 HIS 30 HD1 -0.0192 -0.0206 -0.0118 427 HIS 30 CE1 -0.0205 -0.0170 -0.0111 428 HIS 30 HE1 -0.0198 -0.0172 -0.0121 429 HIS 30 C -0.0199 -0.0206 -0.0108 430 HIS 30 O -0.0207 -0.0193 -0.0100 431 HIS 31 N -0.0068 -0.0029 0.0078 432 HIS 31 HN -0.0070 -0.0033 0.0078 433 HIS 31 CA -0.0070 -0.0023 0.0075 434 HIS 31 HA -0.0070 -0.0021 0.0073 435 HIS 31 CB -0.0076 -0.0024 0.0072 436 HIS 31 HB1 -0.0077 -0.0020 0.0070 437 HIS 31 HB2 -0.0076 -0.0028 0.0073 438 HIS 31 CD2 -0.0083 -0.0033 0.0072 439 HIS 31 HD2 -0.0081 -0.0038 0.0074 440 HIS 31 CG -0.0081 -0.0027 0.0071 441 HIS 31 NE2 -0.0088 -0.0033 0.0069 442 HIS 31 HE2 -0.0091 -0.0037 0.0070 443 HIS 31 ND1 -0.0085 -0.0023 0.0067 444 HIS 31 HD1 -0.0084 -0.0019 0.0066 445 HIS 31 CE1 -0.0089 -0.0027 0.0067 446 HIS 31 HE1 -0.0093 -0.0026 0.0064 447 HIS 31 C -0.0066 -0.0019 0.0075 448 HIS 31 O -0.0062 -0.0021 0.0078 449 THR 32 N 0.0015 0.0022 0.0050 450 THR 32 HN 0.0011 0.0030 0.0035 451 THR 32 CA 0.0020 0.0037 0.0035 452 THR 32 HA 0.0038 0.0034 0.0055 453 THR 32 CB 0.0035 0.0069 0.0006 454 THR 32 HB 0.0017 0.0072 -0.0015 455 THR 32 OG1 0.0067 0.0083 0.0020 456 THR 32 HG1 0.0066 0.0068 0.0038 457 THR 32 CG2 0.0043 0.0085 -0.0007 458 THR 32 HG21 0.0055 0.0109 -0.0027 459 THR 32 HG22 0.0019 0.0077 -0.0020 460 THR 32 HG23 0.0061 0.0083 0.0014 461 THR 32 C -0.0013 0.0023 0.0020 462 THR 32 O -0.0039 0.0020 -0.0002 463 HIS 33 N 0.0034 0.0060 0.0022 464 HIS 33 HN 0.0055 0.0068 0.0056 465 HIS 33 CA -0.0006 0.0027 0.0001 466 HIS 33 HA -0.0029 0.0016 -0.0030 467 HIS 33 CB -0.0027 -0.0014 0.0048 468 HIS 33 HB1 -0.0056 -0.0038 0.0031 469 HIS 33 HB2 -0.0005 -0.0005 0.0081 470 HIS 33 CD2 -0.0035 -0.0031 0.0069 471 HIS 33 HD2 -0.0025 -0.0007 0.0037 472 HIS 33 CG -0.0038 -0.0038 0.0078 473 HIS 33 NE2 -0.0048 -0.0063 0.0112 474 HIS 33 HE2 -0.0048 -0.0066 0.0119 475 HIS 33 ND1 -0.0053 -0.0073 0.0125 476 HIS 33 HD1 -0.0059 -0.0086 0.0141 477 HIS 33 CE1 -0.0059 -0.0087 0.0144 478 HIS 33 HE1 -0.0069 -0.0113 0.0182 479 HIS 33 C 0.0003 0.0049 -0.0030 480 HIS 33 O 0.0031 0.0068 -0.0006 481 PHE 34 N 0.0012 -0.0006 -0.0090 482 PHE 34 HN -0.0003 -0.0009 -0.0089 483 PHE 34 CA 0.0016 0.0010 -0.0109 484 PHE 34 HA 0.0035 0.0014 -0.0110 485 PHE 34 CB 0.0008 0.0019 -0.0125 486 PHE 34 HB1 0.0010 0.0031 -0.0140 487 PHE 34 HB2 -0.0011 0.0015 -0.0124 488 PHE 34 CG 0.0023 0.0020 -0.0121 489 PHE 34 CD1 0.0047 0.0028 -0.0126 490 PHE 34 HD1 0.0054 0.0034 -0.0132 491 PHE 34 CE1 0.0060 0.0029 -0.0124 492 PHE 34 HE1 0.0078 0.0036 -0.0128 493 PHE 34 CZ 0.0051 0.0022 -0.0117 494 PHE 34 HZ 0.0062 0.0023 -0.0115 495 PHE 34 CD2 0.0014 0.0013 -0.0114 496 PHE 34 HD2 -0.0003 0.0006 -0.0110 497 PHE 34 CE2 0.0028 0.0014 -0.0112 498 PHE 34 HE2 0.0021 0.0008 -0.0106 499 PHE 34 C 0.0004 0.0012 -0.0115 500 PHE 34 O -0.0017 0.0007 -0.0115 501 HIS 35 N 0.0007 0.0021 -0.0130 502 HIS 35 HN 0.0033 0.0042 -0.0124 503 HIS 35 CA -0.0046 -0.0017 -0.0130 504 HIS 35 HA -0.0072 -0.0035 -0.0131 505 HIS 35 CB -0.0070 -0.0007 -0.0074 506 HIS 35 HB1 -0.0108 -0.0035 -0.0078 507 HIS 35 HB2 -0.0041 0.0016 -0.0069 508 HIS 35 CD2 -0.0049 0.0051 0.0016 509 HIS 35 HD2 -0.0008 0.0078 0.0012 510 HIS 35 CG -0.0082 0.0011 -0.0020 511 HIS 35 NE2 -0.0077 0.0054 0.0062 512 HIS 35 HE2 -0.0064 0.0079 0.0094 513 HIS 35 ND1 -0.0131 -0.0011 0.0005 514 HIS 35 HD1 -0.0164 -0.0041 -0.0009 515 HIS 35 CE1 -0.0126 0.0016 0.0054 516 HIS 35 HE1 -0.0159 0.0007 0.0084 517 HIS 35 C -0.0044 -0.0041 -0.0185 518 HIS 35 O -0.0014 -0.0027 -0.0198 519 VAL 36 N 0.0049 -0.0003 -0.0135 520 VAL 36 HN 0.0084 -0.0017 -0.0163 521 VAL 36 CA 0.0055 -0.0023 -0.0079 522 VAL 36 HA 0.0017 -0.0004 -0.0065 523 VAL 36 CB 0.0105 -0.0051 -0.0091 524 VAL 36 HB 0.0143 -0.0070 -0.0106 525 VAL 36 CG1 0.0112 -0.0073 -0.0030 526 VAL 36 HG11 0.0123 -0.0091 0.0007 527 VAL 36 HG12 0.0073 -0.0054 -0.0012 528 VAL 36 HG13 0.0146 -0.0091 -0.0041 529 VAL 36 CG2 0.0096 -0.0030 -0.0144 530 VAL 36 HG21 0.0059 -0.0011 -0.0129 531 VAL 36 HG22 0.0091 -0.0014 -0.0188 532 VAL 36 HG23 0.0133 -0.0050 -0.0153 533 VAL 36 C 0.0061 -0.0043 -0.0025 534 VAL 36 O 0.0097 -0.0063 -0.0033 535 GLU 37 N 0.0093 -0.0100 0.0060 536 GLU 37 HN 0.0084 -0.0096 0.0062 537 GLU 37 CA 0.0095 -0.0103 0.0073 538 GLU 37 HA 0.0105 -0.0108 0.0070 539 GLU 37 CB 0.0081 -0.0097 0.0076 540 GLU 37 HB1 0.0071 -0.0092 0.0081 541 GLU 37 HB2 0.0078 -0.0093 0.0064 542 GLU 37 CG 0.0083 -0.0100 0.0089 543 GLU 37 HG1 0.0093 -0.0104 0.0084 544 GLU 37 HG2 0.0084 -0.0102 0.0102 545 GLU 37 CD 0.0069 -0.0093 0.0088 546 GLU 37 OE1 0.0057 -0.0087 0.0096 547 GLU 37 OE2 0.0071 -0.0092 0.0079 548 GLU 37 C 0.0098 -0.0108 0.0089 549 GLU 37 O 0.0091 -0.0105 0.0094 550 ASN 38 N 0.0128 0.0027 0.0339 551 ASN 38 HN -0.0100 0.0233 0.0372 552 ASN 38 CA 0.0073 -0.0233 0.0071 553 ASN 38 HA 0.0341 -0.0362 0.0134 554 ASN 38 CB -0.0220 -0.0073 0.0018 555 ASN 38 HB1 -0.0079 0.0040 0.0213 556 ASN 38 HB2 -0.0295 -0.0272 -0.0209 557 ASN 38 CG -0.0590 0.0203 0.0018 558 ASN 38 OD1 -0.0813 0.0136 -0.0189 559 ASN 38 ND2 -0.0668 0.0529 0.0257 560 ASN 38 HD21 -0.0916 0.0705 0.0249 561 ASN 38 HD22 -0.0495 0.0580 0.0418 562 ASN 38 C -0.0006 -0.0517 -0.0235 563 ASN 38 O -0.0178 -0.0466 -0.0305 564 HIS 39 N 0.0142 -0.0193 0.0043 565 HIS 39 HN 0.0124 -0.0197 0.0013 566 HIS 39 CA 0.0147 -0.0138 0.0079 567 HIS 39 HA 0.0175 -0.0146 0.0118 568 HIS 39 CB 0.0125 -0.0091 0.0066 569 HIS 39 HB1 0.0124 -0.0047 0.0087 570 HIS 39 HB2 0.0098 -0.0090 0.0024 571 HIS 39 CD2 0.0130 -0.0130 0.0055 572 HIS 39 HD2 0.0112 -0.0153 0.0015 573 HIS 39 CG 0.0139 -0.0103 0.0083 574 HIS 39 NE2 0.0150 -0.0126 0.0089 575 HIS 39 HE2 0.0153 -0.0147 0.0083 576 HIS 39 ND1 0.0163 -0.0081 0.0133 577 HIS 39 HD1 0.0174 -0.0058 0.0162 578 HIS 39 CE1 0.0169 -0.0097 0.0135 579 HIS 39 HE1 0.0188 -0.0087 0.0170 580 HIS 39 C 0.0138 -0.0114 0.0076 581 HIS 39 O 0.0123 -0.0062 0.0079 582 GLY 40 N 0.0317 -0.0064 0.0328 583 GLY 40 HN 0.0288 -0.0455 0.0432 584 GLY 40 CA 0.0131 0.0213 0.0054 585 GLY 40 HA1 0.0283 0.0630 0.0061 586 GLY 40 HA2 0.0148 0.0008 0.0139 587 GLY 40 C -0.0311 0.0176 -0.0366 588 GLY 40 O -0.0527 -0.0236 -0.0437 589 GLY 41 N 0.0121 0.0140 0.0066 590 GLY 41 HN 0.0132 0.0160 0.0071 591 GLY 41 CA 0.0069 0.0148 0.0101 592 GLY 41 HA1 0.0053 0.0178 0.0128 593 GLY 41 HA2 0.0080 0.0163 0.0104 594 GLY 41 C 0.0018 0.0094 0.0099 595 GLY 41 O -0.0020 0.0092 0.0121 596 LYS 42 N 0.0007 -0.0041 0.0054 597 LYS 42 HN 0.0006 -0.0041 0.0058 598 LYS 42 CA 0.0002 -0.0039 0.0046 599 LYS 42 HA 0.0004 -0.0040 0.0041 600 LYS 42 CB -0.0007 -0.0034 0.0049 601 LYS 42 HB1 -0.0011 -0.0032 0.0043 602 LYS 42 HB2 -0.0009 -0.0033 0.0055 603 LYS 42 CG -0.0007 -0.0034 0.0050 604 LYS 42 HG1 -0.0003 -0.0036 0.0056 605 LYS 42 HG2 -0.0005 -0.0035 0.0044 606 LYS 42 CD -0.0016 -0.0029 0.0052 607 LYS 42 HD1 -0.0016 -0.0029 0.0051 608 LYS 42 HD2 -0.0020 -0.0028 0.0046 609 LYS 42 CE -0.0020 -0.0027 0.0060 610 LYS 42 HE1 -0.0026 -0.0024 0.0060 611 LYS 42 HE2 -0.0020 -0.0027 0.0061 612 LYS 42 NZ -0.0015 -0.0029 0.0068 613 LYS 42 HZ1 -0.0019 -0.0027 0.0074 614 LYS 42 HZ2 -0.0015 -0.0029 0.0067 615 LYS 42 HZ3 -0.0010 -0.0032 0.0069 616 LYS 42 C 0.0002 -0.0039 0.0041 617 LYS 42 O 0.0003 -0.0039 0.0045 618 VAL 43 N 0.0074 -0.0073 0.0058 619 VAL 43 HN 0.0073 -0.0072 0.0048 620 VAL 43 CA 0.0073 -0.0071 0.0038 621 VAL 43 HA 0.0081 -0.0076 0.0049 622 VAL 43 CB 0.0089 -0.0076 0.0008 623 VAL 43 HB 0.0090 -0.0074 -0.0004 624 VAL 43 CG1 0.0119 -0.0090 0.0015 625 VAL 43 HG11 0.0132 -0.0094 -0.0006 626 VAL 43 HG12 0.0128 -0.0096 0.0030 627 VAL 43 HG13 0.0121 -0.0092 0.0026 628 VAL 43 CG2 0.0077 -0.0068 -0.0012 629 VAL 43 HG21 0.0090 -0.0072 -0.0033 630 VAL 43 HG22 0.0075 -0.0068 0.0000 631 VAL 43 HG23 0.0056 -0.0057 -0.0019 632 VAL 43 C 0.0043 -0.0056 0.0032 633 VAL 43 O 0.0024 -0.0048 0.0037 634 ALA 44 N 0.0056 -0.0046 -0.0016 635 ALA 44 HN 0.0073 -0.0058 -0.0018 636 ALA 44 CA 0.0030 -0.0030 -0.0024 637 ALA 44 HA 0.0012 -0.0018 -0.0023 638 ALA 44 CB 0.0027 -0.0025 -0.0001 639 ALA 44 HB1 0.0028 -0.0022 0.0025 640 ALA 44 HB2 0.0044 -0.0037 -0.0004 641 ALA 44 HB3 0.0007 -0.0012 -0.0007 642 ALA 44 C 0.0031 -0.0036 -0.0059 643 ALA 44 O 0.0053 -0.0052 -0.0070 644 LEU 45 N 0.0010 -0.0006 -0.0056 645 LEU 45 HN -0.0005 0.0002 -0.0048 646 LEU 45 CA 0.0009 -0.0009 -0.0082 647 LEU 45 HA 0.0026 -0.0017 -0.0089 648 LEU 45 CB -0.0005 -0.0005 -0.0092 649 LEU 45 HB1 -0.0006 -0.0007 -0.0113 650 LEU 45 HB2 -0.0022 0.0004 -0.0086 651 LEU 45 CG 0.0006 -0.0008 -0.0086 652 LEU 45 HG 0.0008 -0.0006 -0.0065 653 LEU 45 CD1 -0.0010 -0.0003 -0.0095 654 LEU 45 HD11 -0.0003 -0.0005 -0.0089 655 LEU 45 HD12 -0.0027 0.0006 -0.0086 656 LEU 45 HD13 -0.0013 -0.0004 -0.0115 657 LEU 45 CD2 0.0029 -0.0020 -0.0096 658 LEU 45 HD21 0.0030 -0.0023 -0.0114 659 LEU 45 HD22 0.0043 -0.0024 -0.0083 660 LEU 45 HD23 0.0033 -0.0022 -0.0099 661 LEU 45 C -0.0003 -0.0005 -0.0091 662 LEU 45 O -0.0022 0.0004 -0.0085 663 LYS 46 N 0.0028 0.0028 -0.0097 664 LYS 46 HN 0.0026 0.0038 -0.0095 665 LYS 46 CA 0.0019 0.0035 -0.0100 666 LYS 46 HA 0.0024 0.0025 -0.0100 667 LYS 46 CB -0.0002 0.0036 -0.0111 668 LYS 46 HB1 -0.0005 0.0020 -0.0117 669 LYS 46 HB2 -0.0008 0.0037 -0.0113 670 LYS 46 CG -0.0013 0.0052 -0.0112 671 LYS 46 HG1 -0.0012 0.0067 -0.0107 672 LYS 46 HG2 -0.0007 0.0052 -0.0109 673 LYS 46 CD -0.0034 0.0049 -0.0124 674 LYS 46 HD1 -0.0034 0.0034 -0.0128 675 LYS 46 HD2 -0.0038 0.0047 -0.0127 676 LYS 46 CE -0.0047 0.0066 -0.0126 677 LYS 46 HE1 -0.0047 0.0080 -0.0123 678 LYS 46 HE2 -0.0042 0.0068 -0.0123 679 LYS 46 NZ -0.0066 0.0060 -0.0138 680 LYS 46 HZ1 -0.0066 0.0050 -0.0141 681 LYS 46 HZ2 -0.0076 0.0072 -0.0140 682 LYS 46 HZ3 -0.0068 0.0051 -0.0142 683 LYS 46 C 0.0024 0.0056 -0.0092 684 LYS 46 O 0.0029 0.0067 -0.0086 685 THR 47 N 0.0061 0.0080 -0.0062 686 THR 47 HN 0.0079 0.0074 -0.0073 687 THR 47 CA 0.0062 0.0089 -0.0025 688 THR 47 HA 0.0056 0.0092 -0.0017 689 THR 47 CB 0.0096 0.0086 -0.0009 690 THR 47 HB 0.0097 0.0092 0.0019 691 THR 47 OG1 0.0105 0.0083 -0.0014 692 THR 47 HG1 0.0128 0.0080 -0.0006 693 THR 47 CG2 0.0124 0.0077 -0.0024 694 THR 47 HG21 0.0127 0.0070 -0.0051 695 THR 47 HG22 0.0149 0.0075 -0.0011 696 THR 47 HG23 0.0119 0.0079 -0.0021 697 THR 47 C 0.0034 0.0097 -0.0011 698 THR 47 O 0.0017 0.0096 -0.0029 699 HIS 48 N -0.0020 0.0155 0.0086 700 HIS 48 HN 0.0002 0.0158 0.0104 701 HIS 48 CA -0.0070 0.0133 0.0204 702 HIS 48 HA -0.0166 0.0113 0.0180 703 HIS 48 CB -0.0078 0.0121 0.0319 704 HIS 48 HB1 -0.0145 0.0108 0.0289 705 HIS 48 HB2 -0.0119 0.0104 0.0409 706 HIS 48 CD2 0.0121 0.0152 0.0473 707 HIS 48 HD2 0.0102 0.0140 0.0562 708 HIS 48 CG 0.0050 0.0147 0.0357 709 HIS 48 NE2 0.0228 0.0178 0.0457 710 HIS 48 HE2 0.0297 0.0188 0.0526 711 HIS 48 ND1 0.0111 0.0168 0.0271 712 HIS 48 HD1 0.0079 0.0169 0.0180 713 HIS 48 CE1 0.0217 0.0187 0.0334 714 HIS 48 HE1 0.0287 0.0206 0.0295 715 HIS 48 C 0.0013 0.0148 0.0249 716 HIS 48 O -0.0034 0.0132 0.0308 717 CYS 49 N 0.0091 0.0170 0.0080 718 CYS 49 HN 0.0106 0.0124 0.0158 719 CYS 49 CA 0.0163 0.0076 -0.0054 720 CYS 49 HA 0.0145 0.0117 -0.0094 721 CYS 49 CB 0.0248 -0.0097 0.0022 722 CYS 49 HB1 0.0269 -0.0141 0.0050 723 CYS 49 HB2 0.0230 -0.0096 0.0151 724 CYS 49 SG 0.0341 -0.0228 -0.0119 725 CYS 49 HG1 0.0329 -0.0170 -0.0267 726 CYS 49 C 0.0179 0.0088 -0.0219 727 CYS 49 O 0.0238 0.0015 -0.0350 728 GLY 50 N 0.0059 0.0102 -0.0058 729 GLY 50 HN 0.0074 0.0119 -0.0035 730 GLY 50 CA 0.0047 0.0082 -0.0079 731 GLY 50 HA1 0.0026 0.0088 -0.0107 732 GLY 50 HA2 0.0052 0.0098 -0.0068 733 GLY 50 C 0.0056 0.0034 -0.0078 734 GLY 50 O 0.0043 0.0012 -0.0101 735 LYS 51 N 0.0043 0.0040 -0.0018 736 LYS 51 HN 0.0049 0.0049 -0.0009 737 LYS 51 CA 0.0058 0.0029 -0.0026 738 LYS 51 HA 0.0051 0.0022 -0.0033 739 LYS 51 CB 0.0076 0.0035 -0.0017 740 LYS 51 HB1 0.0086 0.0026 -0.0024 741 LYS 51 HB2 0.0084 0.0040 -0.0011 742 LYS 51 CG 0.0070 0.0047 -0.0007 743 LYS 51 HG1 0.0083 0.0052 -0.0000 744 LYS 51 HG2 0.0059 0.0056 -0.0001 745 LYS 51 CD 0.0062 0.0040 -0.0015 746 LYS 51 HD1 0.0049 0.0034 -0.0023 747 LYS 51 HD2 0.0074 0.0032 -0.0020 748 LYS 51 CE 0.0056 0.0052 -0.0005 749 LYS 51 HE1 0.0068 0.0059 0.0004 750 LYS 51 HE2 0.0042 0.0059 -0.0001 751 LYS 51 NZ 0.0053 0.0045 -0.0012 752 LYS 51 HZ1 0.0047 0.0053 -0.0005 753 LYS 51 HZ2 0.0066 0.0040 -0.0014 754 LYS 51 HZ3 0.0043 0.0037 -0.0021 755 LYS 51 C 0.0065 0.0018 -0.0034 756 LYS 51 O 0.0069 0.0024 -0.0029 757 TYR 52 N -0.0032 0.0010 -0.0060 758 TYR 52 HN -0.0036 0.0010 -0.0059 759 TYR 52 CA -0.0029 0.0005 -0.0060 760 TYR 52 HA -0.0026 0.0005 -0.0061 761 TYR 52 CB -0.0033 -0.0001 -0.0058 762 TYR 52 HB1 -0.0030 -0.0005 -0.0059 763 TYR 52 HB2 -0.0036 -0.0001 -0.0058 764 TYR 52 CG -0.0036 -0.0001 -0.0058 765 TYR 52 CD1 -0.0041 0.0003 -0.0057 766 TYR 52 HD1 -0.0043 0.0006 -0.0057 767 TYR 52 CE1 -0.0044 0.0003 -0.0057 768 TYR 52 HE1 -0.0048 0.0006 -0.0056 769 TYR 52 CZ -0.0042 -0.0002 -0.0057 770 TYR 52 OH -0.0045 -0.0002 -0.0056 771 TYR 52 HH -0.0044 -0.0005 -0.0056 772 TYR 52 CD2 -0.0034 -0.0005 -0.0058 773 TYR 52 HD2 -0.0030 -0.0008 -0.0058 774 TYR 52 CE2 -0.0037 -0.0006 -0.0057 775 TYR 52 HE2 -0.0036 -0.0009 -0.0057 776 TYR 52 C -0.0024 0.0004 -0.0061 777 TYR 52 O -0.0026 0.0004 -0.0061 778 LEU 53 N 0.0007 -0.0005 -0.0014 779 LEU 53 HN 0.0022 -0.0008 -0.0016 780 LEU 53 CA -0.0001 -0.0004 -0.0011 781 LEU 53 HA -0.0015 0.0001 -0.0019 782 LEU 53 CB 0.0014 -0.0006 -0.0019 783 LEU 53 HB1 0.0008 -0.0006 -0.0013 784 LEU 53 HB2 0.0029 -0.0010 -0.0013 785 LEU 53 CG 0.0015 -0.0002 -0.0043 786 LEU 53 HG -0.0001 0.0003 -0.0048 787 LEU 53 CD1 0.0026 -0.0002 -0.0054 788 LEU 53 HD11 0.0027 0.0001 -0.0070 789 LEU 53 HD12 0.0018 -0.0001 -0.0051 790 LEU 53 HD13 0.0042 -0.0007 -0.0049 791 LEU 53 CD2 0.0025 -0.0003 -0.0049 792 LEU 53 HD21 0.0016 -0.0002 -0.0042 793 LEU 53 HD22 0.0025 0.0000 -0.0066 794 LEU 53 HD23 0.0040 -0.0007 -0.0044 795 LEU 53 C -0.0007 -0.0007 0.0012 796 LEU 53 O 0.0004 -0.0012 0.0025 797 SER 54 N -0.0084 0.0052 0.0075 798 SER 54 HN -0.0084 0.0044 0.0078 799 SER 54 CA -0.0083 0.0053 0.0073 800 SER 54 HA -0.0083 0.0063 0.0073 801 SER 54 CB -0.0077 0.0047 0.0063 802 SER 54 HB1 -0.0077 0.0037 0.0064 803 SER 54 HB2 -0.0074 0.0051 0.0056 804 SER 54 OG -0.0076 0.0048 0.0061 805 SER 54 HG1 -0.0076 0.0056 0.0058 806 SER 54 C -0.0087 0.0048 0.0083 807 SER 54 O -0.0089 0.0039 0.0088 808 ILE 55 N -0.0014 0.0010 0.0074 809 ILE 55 HN -0.0022 0.0005 0.0066 810 ILE 55 CA 0.0004 0.0007 0.0071 811 ILE 55 HA 0.0011 0.0014 0.0082 812 ILE 55 CB 0.0006 0.0001 0.0062 813 ILE 55 HB 0.0001 -0.0007 0.0051 814 ILE 55 CG2 -0.0007 0.0006 0.0068 815 ILE 55 HG21 -0.0004 0.0014 0.0080 816 ILE 55 HG22 -0.0021 0.0005 0.0067 817 ILE 55 HG23 -0.0006 0.0001 0.0062 818 ILE 55 CG1 0.0025 -0.0001 0.0062 819 ILE 55 HG11 0.0033 -0.0006 0.0054 820 ILE 55 HG12 0.0024 -0.0004 0.0057 821 ILE 55 CD 0.0035 0.0009 0.0077 822 ILE 55 HD1 0.0038 0.0012 0.0081 823 ILE 55 HD2 0.0027 0.0016 0.0085 824 ILE 55 HD3 0.0048 0.0008 0.0076 825 ILE 55 C 0.0015 0.0002 0.0065 826 ILE 55 O 0.0030 -0.0001 0.0061 827 GLY 56 N -0.0011 0.0067 0.0139 828 GLY 56 HN -0.0037 0.0069 0.0148 829 GLY 56 CA 0.0037 0.0065 0.0127 830 GLY 56 HA1 0.0058 0.0059 0.0161 831 GLY 56 HA2 0.0030 0.0067 0.0112 832 GLY 56 C 0.0070 0.0066 0.0089 833 GLY 56 O 0.0053 0.0072 0.0051 834 ASP 57 N 0.0185 0.0035 0.0131 835 ASP 57 HN 0.0144 0.0066 0.0071 836 ASP 57 CA 0.0171 -0.0092 0.0188 837 ASP 57 HA 0.0182 -0.0133 0.0223 838 ASP 57 CB 0.0067 -0.0158 0.0119 839 ASP 57 HB1 0.0053 -0.0255 0.0159 840 ASP 57 HB2 0.0055 -0.0116 0.0083 841 ASP 57 CG -0.0012 -0.0154 0.0036 842 ASP 57 OD1 0.0011 -0.0119 0.0040 843 ASP 57 OD2 -0.0096 -0.0191 -0.0030 844 ASP 57 C 0.0241 -0.0109 0.0269 845 ASP 57 O 0.0228 -0.0209 0.0312 846 HIS 58 N 0.0176 0.0016 0.0179 847 HIS 58 HN 0.0195 -0.0036 0.0185 848 HIS 58 CA 0.0128 0.0026 0.0117 849 HIS 58 HA 0.0104 0.0078 0.0105 850 HIS 58 CB 0.0129 0.0033 0.0121 851 HIS 58 HB1 0.0158 -0.0015 0.0143 852 HIS 58 HB2 0.0138 0.0086 0.0154 853 HIS 58 CD2 0.0078 -0.0008 0.0035 854 HIS 58 HD2 0.0105 -0.0054 0.0053 855 HIS 58 CG 0.0084 0.0035 0.0060 856 HIS 58 NE2 0.0030 0.0017 -0.0021 857 HIS 58 HE2 0.0015 0.0000 -0.0050 858 HIS 58 ND1 0.0041 0.0086 0.0020 859 HIS 58 HD1 0.0034 0.0125 0.0026 860 HIS 58 CE1 0.0009 0.0075 -0.0028 861 HIS 58 HE1 -0.0028 0.0106 -0.0067 862 HIS 58 C 0.0106 -0.0036 0.0062 863 HIS 58 O 0.0129 -0.0094 0.0071 864 LYS 59 N 0.0009 -0.0024 0.0030 865 LYS 59 HN 0.0009 0.0003 0.0027 866 LYS 59 CA 0.0014 -0.0043 -0.0002 867 LYS 59 HA 0.0014 -0.0067 -0.0005 868 LYS 59 CB 0.0019 -0.0019 -0.0036 869 LYS 59 HB1 0.0022 -0.0034 -0.0059 870 LYS 59 HB2 0.0018 0.0005 -0.0032 871 LYS 59 CG 0.0020 -0.0008 -0.0047 872 LYS 59 HG1 0.0024 0.0007 -0.0072 873 LYS 59 HG2 0.0017 0.0012 -0.0026 874 LYS 59 CD 0.0021 -0.0039 -0.0048 875 LYS 59 HD1 0.0022 -0.0028 -0.0058 876 LYS 59 HD2 0.0016 -0.0048 -0.0020 877 LYS 59 CE 0.0024 -0.0073 -0.0070 878 LYS 59 HE1 0.0024 -0.0092 -0.0070 879 LYS 59 HE2 0.0022 -0.0086 -0.0057 880 LYS 59 NZ 0.0029 -0.0064 -0.0107 881 LYS 59 HZ1 0.0031 -0.0049 -0.0119 882 LYS 59 HZ2 0.0029 -0.0048 -0.0107 883 LYS 59 HZ3 0.0031 -0.0087 -0.0121 884 LYS 59 C 0.0013 -0.0058 0.0000 885 LYS 59 O 0.0016 -0.0087 -0.0015 886 GLN 60 N -0.0009 -0.0081 0.0013 887 GLN 60 HN -0.0024 -0.0058 0.0028 888 GLN 60 CA 0.0008 -0.0114 -0.0017 889 GLN 60 HA 0.0013 -0.0132 -0.0041 890 GLN 60 CB -0.0017 -0.0106 -0.0043 891 GLN 60 HB1 -0.0003 -0.0133 -0.0067 892 GLN 60 HB2 -0.0018 -0.0091 -0.0019 893 GLN 60 CG -0.0060 -0.0082 -0.0072 894 GLN 60 HG1 -0.0073 -0.0084 -0.0096 895 GLN 60 HG2 -0.0076 -0.0053 -0.0049 896 GLN 60 CD -0.0064 -0.0093 -0.0099 897 GLN 60 OE1 -0.0075 -0.0075 -0.0085 898 GLN 60 NE2 -0.0057 -0.0123 -0.0139 899 GLN 60 HE21 -0.0046 -0.0139 -0.0149 900 GLN 60 HE22 -0.0063 -0.0129 -0.0159 901 GLN 60 C 0.0048 -0.0134 0.0013 902 GLN 60 O 0.0053 -0.0117 0.0051 903 VAL 61 N 0.0024 -0.0060 0.0003 904 VAL 61 HN 0.0024 -0.0063 -0.0007 905 VAL 61 CA 0.0031 -0.0069 0.0013 906 VAL 61 HA 0.0032 -0.0069 0.0021 907 VAL 61 CB 0.0038 -0.0082 0.0005 908 VAL 61 HB 0.0036 -0.0081 -0.0004 909 VAL 61 CG1 0.0045 -0.0092 0.0014 910 VAL 61 HG11 0.0047 -0.0092 0.0024 911 VAL 61 HG12 0.0050 -0.0101 0.0008 912 VAL 61 HG13 0.0045 -0.0090 0.0018 913 VAL 61 CG2 0.0039 -0.0085 -0.0001 914 VAL 61 HG21 0.0044 -0.0095 -0.0006 915 VAL 61 HG22 0.0041 -0.0085 0.0008 916 VAL 61 HG23 0.0034 -0.0079 -0.0008 917 VAL 61 C 0.0031 -0.0066 0.0021 918 VAL 61 O 0.0028 -0.0063 0.0016 919 TYR 62 N 0.0039 -0.0112 0.0188 920 TYR 62 HN 0.0041 -0.0118 0.0192 921 TYR 62 CA 0.0018 -0.0111 0.0171 922 TYR 62 HA 0.0017 -0.0108 0.0170 923 TYR 62 CB 0.0004 -0.0136 0.0166 924 TYR 62 HB1 0.0001 -0.0136 0.0164 925 TYR 62 HB2 0.0012 -0.0152 0.0176 926 TYR 62 CG -0.0016 -0.0139 0.0150 927 TYR 62 CD1 -0.0034 -0.0134 0.0134 928 TYR 62 HD1 -0.0034 -0.0127 0.0133 929 TYR 62 CE1 -0.0052 -0.0136 0.0120 930 TYR 62 HE1 -0.0066 -0.0131 0.0108 931 TYR 62 CZ -0.0053 -0.0143 0.0121 932 TYR 62 OH -0.0071 -0.0145 0.0107 933 TYR 62 HH -0.0068 -0.0142 0.0109 934 TYR 62 CD2 -0.0017 -0.0147 0.0152 935 TYR 62 HD2 -0.0003 -0.0151 0.0164 936 TYR 62 CE2 -0.0035 -0.0149 0.0137 937 TYR 62 HE2 -0.0036 -0.0155 0.0138 938 TYR 62 C 0.0012 -0.0087 0.0160 939 TYR 62 O 0.0019 -0.0078 0.0164 940 LEU 63 N 0.0039 -0.0076 0.0081 941 LEU 63 HN 0.0029 -0.0076 0.0078 942 LEU 63 CA 0.0038 -0.0063 0.0072 943 LEU 63 HA 0.0048 -0.0065 0.0077 944 LEU 63 CB 0.0043 -0.0043 0.0060 945 LEU 63 HB1 0.0029 -0.0039 0.0053 946 LEU 63 HB2 0.0055 -0.0042 0.0064 947 LEU 63 CG 0.0050 -0.0029 0.0053 948 LEU 63 HG 0.0040 -0.0031 0.0052 949 LEU 63 CD1 0.0073 -0.0030 0.0061 950 LEU 63 HD11 0.0084 -0.0028 0.0063 951 LEU 63 HD12 0.0078 -0.0020 0.0056 952 LEU 63 HD13 0.0074 -0.0044 0.0071 953 LEU 63 CD2 0.0049 -0.0009 0.0040 954 LEU 63 HD21 0.0056 0.0001 0.0035 955 LEU 63 HD22 0.0058 -0.0007 0.0041 956 LEU 63 HD23 0.0032 -0.0008 0.0034 957 LEU 63 C 0.0016 -0.0067 0.0068 958 LEU 63 O 0.0000 -0.0067 0.0063 959 SER 64 N -0.0040 -0.0036 0.0041 960 SER 64 HN -0.0044 -0.0014 0.0050 961 SER 64 CA -0.0037 -0.0042 0.0007 962 SER 64 HA -0.0033 -0.0068 0.0002 963 SER 64 CB -0.0038 -0.0027 0.0001 964 SER 64 HB1 -0.0042 -0.0001 0.0009 965 SER 64 HB2 -0.0038 -0.0040 0.0018 966 SER 64 OG -0.0035 -0.0029 -0.0032 967 SER 64 HG1 -0.0037 -0.0010 -0.0044 968 SER 64 C -0.0037 -0.0027 -0.0018 969 SER 64 O -0.0040 -0.0003 -0.0012 970 HIS 65 N 0.0055 -0.0026 -0.0082 971 HIS 65 HN 0.0089 -0.0027 -0.0105 972 HIS 65 CA 0.0020 -0.0024 -0.0056 973 HIS 65 HA -0.0008 -0.0021 -0.0023 974 HIS 65 CB 0.0058 -0.0017 -0.0026 975 HIS 65 HB1 0.0086 -0.0020 -0.0059 976 HIS 65 HB2 0.0086 -0.0010 0.0006 977 HIS 65 CD2 0.0014 -0.0018 -0.0012 978 HIS 65 HD2 0.0033 -0.0022 -0.0047 979 HIS 65 CG 0.0022 -0.0015 0.0002 980 HIS 65 NE2 -0.0025 -0.0014 0.0028 981 HIS 65 HE2 -0.0041 -0.0015 0.0028 982 HIS 65 ND1 -0.0012 -0.0010 0.0051 983 HIS 65 HD1 -0.0014 -0.0007 0.0070 984 HIS 65 CE1 -0.0039 -0.0009 0.0064 985 HIS 65 HE1 -0.0071 -0.0006 0.0099 986 HIS 65 C -0.0017 -0.0034 -0.0101 987 HIS 65 O 0.0004 -0.0039 -0.0143 988 HIS 66 N -0.0019 -0.0027 -0.0102 989 HIS 66 HN -0.0055 -0.0070 -0.0046 990 HIS 66 CA -0.0083 -0.0042 -0.0167 991 HIS 66 HA -0.0159 -0.0099 -0.0136 992 HIS 66 CB -0.0038 -0.0026 -0.0137 993 HIS 66 HB1 -0.0093 -0.0042 -0.0185 994 HIS 66 HB2 0.0041 0.0032 -0.0165 995 HIS 66 CD2 0.0047 -0.0047 0.0059 996 HIS 66 HD2 0.0113 0.0001 0.0035 997 HIS 66 CG -0.0026 -0.0065 -0.0009 998 HIS 66 NE2 0.0020 -0.0104 0.0169 999 HIS 66 HE2 0.0053 -0.0109 0.0237 1000 HIS 66 ND1 -0.0097 -0.0132 0.0056 1001 HIS 66 HD1 -0.0160 -0.0160 0.0029 1002 HIS 66 CE1 -0.0067 -0.0153 0.0162 1003 HIS 66 HE1 -0.0107 -0.0205 0.0237 1004 HIS 66 C -0.0112 -0.0011 -0.0298 1005 HIS 66 O -0.0078 0.0026 -0.0343 1006 LEU 67 N -0.0061 0.0029 -0.0061 1007 LEU 67 HN -0.0025 0.0021 -0.0055 1008 LEU 67 CA -0.0075 0.0049 -0.0036 1009 LEU 67 HA -0.0100 0.0043 -0.0058 1010 LEU 67 CB -0.0032 0.0046 -0.0019 1011 LEU 67 HB1 -0.0005 0.0052 0.0004 1012 LEU 67 HB2 -0.0015 0.0023 -0.0047 1013 LEU 67 CG -0.0044 0.0063 0.0002 1014 LEU 67 HG -0.0052 0.0086 0.0035 1015 LEU 67 CD1 -0.0089 0.0062 -0.0022 1016 LEU 67 HD11 -0.0123 0.0074 -0.0020 1017 LEU 67 HD12 -0.0086 0.0039 -0.0057 1018 LEU 67 HD13 -0.0093 0.0072 -0.0008 1019 LEU 67 CD2 -0.0001 0.0052 0.0006 1020 LEU 67 HD21 -0.0008 0.0065 0.0023 1021 LEU 67 HD22 0.0007 0.0029 -0.0026 1022 LEU 67 HD23 0.0032 0.0053 0.0025 1023 LEU 67 C -0.0104 0.0080 -0.0001 1024 LEU 67 O -0.0085 0.0095 0.0032 1025 HIS 68 N -0.0097 0.0139 -0.0107 1026 HIS 68 HN -0.0118 0.0117 -0.0088 1027 HIS 68 CA -0.0097 0.0149 -0.0108 1028 HIS 68 HA -0.0065 0.0143 -0.0131 1029 HIS 68 CB -0.0122 0.0112 -0.0085 1030 HIS 68 HB1 -0.0155 0.0117 -0.0061 1031 HIS 68 HB2 -0.0110 0.0073 -0.0088 1032 HIS 68 CD2 -0.0149 0.0118 -0.0066 1033 HIS 68 HD2 -0.0182 0.0117 -0.0041 1034 HIS 68 CG -0.0119 0.0117 -0.0088 1035 HIS 68 NE2 -0.0128 0.0123 -0.0082 1036 HIS 68 HE2 -0.0141 0.0131 -0.0073 1037 HIS 68 ND1 -0.0081 0.0121 -0.0116 1038 HIS 68 HD1 -0.0054 0.0122 -0.0137 1039 HIS 68 CE1 -0.0088 0.0125 -0.0112 1040 HIS 68 HE1 -0.0065 0.0130 -0.0129 1041 HIS 68 C -0.0111 0.0204 -0.0105 1042 HIS 68 O -0.0138 0.0228 -0.0089 1043 GLY 69 N -0.0080 0.0311 -0.0119 1044 GLY 69 HN -0.0085 0.0298 -0.0127 1045 GLY 69 CA -0.0072 0.0357 -0.0083 1046 GLY 69 HA1 -0.0064 0.0371 -0.0075 1047 GLY 69 HA2 -0.0041 0.0368 -0.0085 1048 GLY 69 C -0.0119 0.0372 -0.0055 1049 GLY 69 O -0.0115 0.0400 -0.0033 1050 ASP 70 N -0.0209 0.0225 -0.0064 1051 ASP 70 HN -0.0195 0.0208 -0.0067 1052 ASP 70 CA -0.0207 0.0219 -0.0042 1053 ASP 70 HA -0.0215 0.0231 -0.0055 1054 ASP 70 CB -0.0183 0.0186 -0.0041 1055 ASP 70 HB1 -0.0181 0.0182 -0.0029 1056 ASP 70 HB2 -0.0174 0.0173 -0.0025 1057 ASP 70 CG -0.0171 0.0178 -0.0079 1058 ASP 70 OD1 -0.0176 0.0189 -0.0099 1059 ASP 70 OD2 -0.0157 0.0161 -0.0089 1060 ASP 70 C -0.0219 0.0228 -0.0004 1061 ASP 70 O -0.0221 0.0228 0.0011 1062 HIS 71 N -0.0200 0.0086 -0.0074 1063 HIS 71 HN -0.0182 0.0019 -0.0125 1064 HIS 71 CA -0.0135 0.0128 -0.0051 1065 HIS 71 HA -0.0144 0.0074 -0.0089 1066 HIS 71 CB -0.0003 0.0142 -0.0055 1067 HIS 71 HB1 0.0048 0.0165 -0.0043 1068 HIS 71 HB2 0.0013 0.0195 -0.0018 1069 HIS 71 CD2 0.0092 0.0025 -0.0150 1070 HIS 71 HD2 0.0107 0.0068 -0.0120 1071 HIS 71 CG 0.0044 0.0049 -0.0127 1072 HIS 71 NE2 0.0119 -0.0069 -0.0221 1073 HIS 71 HE2 0.0153 -0.0108 -0.0253 1074 HIS 71 ND1 0.0041 -0.0028 -0.0183 1075 HIS 71 HD1 0.0010 -0.0031 -0.0181 1076 HIS 71 CE1 0.0087 -0.0097 -0.0238 1077 HIS 71 HE1 0.0098 -0.0169 -0.0291 1078 HIS 71 C -0.0179 0.0217 0.0019 1079 HIS 71 O -0.0118 0.0293 0.0067 1080 SER 72 N -0.0165 0.0163 0.0010 1081 SER 72 HN -0.0156 0.0169 0.0024 1082 SER 72 CA -0.0153 0.0145 -0.0005 1083 SER 72 HA -0.0165 0.0140 -0.0019 1084 SER 72 CB -0.0143 0.0142 -0.0003 1085 SER 72 HB1 -0.0136 0.0128 -0.0016 1086 SER 72 HB2 -0.0130 0.0146 0.0011 1087 SER 72 OG -0.0160 0.0149 -0.0004 1088 SER 72 HG1 -0.0162 0.0160 0.0009 1089 SER 72 C -0.0134 0.0137 -0.0003 1090 SER 72 O -0.0121 0.0123 -0.0013 1091 LEU 73 N -0.0065 0.0079 0.0027 1092 LEU 73 HN -0.0079 0.0087 0.0040 1093 LEU 73 CA -0.0035 0.0063 0.0026 1094 LEU 73 HA -0.0023 0.0055 0.0013 1095 LEU 73 CB -0.0021 0.0059 0.0061 1096 LEU 73 HB1 0.0003 0.0046 0.0058 1097 LEU 73 HB2 -0.0030 0.0065 0.0072 1098 LEU 73 CG -0.0025 0.0063 0.0085 1099 LEU 73 HG -0.0048 0.0076 0.0088 1100 LEU 73 CD1 -0.0011 0.0059 0.0118 1101 LEU 73 HD11 -0.0015 0.0062 0.0136 1102 LEU 73 HD12 -0.0021 0.0065 0.0128 1103 LEU 73 HD13 0.0013 0.0046 0.0117 1104 LEU 73 CD2 -0.0012 0.0055 0.0072 1105 LEU 73 HD21 -0.0022 0.0058 0.0049 1106 LEU 73 HD22 -0.0015 0.0058 0.0090 1107 LEU 73 HD23 0.0012 0.0042 0.0069 1108 LEU 73 C -0.0034 0.0061 0.0009 1109 LEU 73 O -0.0051 0.0070 0.0015 1110 PHE 74 N -0.0023 0.0013 0.0043 1111 PHE 74 HN -0.0018 0.0015 0.0037 1112 PHE 74 CA -0.0012 0.0014 0.0038 1113 PHE 74 HA -0.0018 0.0011 0.0045 1114 PHE 74 CB -0.0013 0.0023 0.0019 1115 PHE 74 HB1 -0.0004 0.0024 0.0015 1116 PHE 74 HB2 -0.0009 0.0026 0.0011 1117 PHE 74 CG -0.0033 0.0026 0.0014 1118 PHE 74 CD1 -0.0046 0.0029 0.0009 1119 PHE 74 HD1 -0.0042 0.0029 0.0009 1120 PHE 74 CE1 -0.0064 0.0032 0.0005 1121 PHE 74 HE1 -0.0074 0.0034 0.0001 1122 PHE 74 CZ -0.0069 0.0032 0.0005 1123 PHE 74 HZ -0.0083 0.0034 0.0001 1124 PHE 74 CD2 -0.0038 0.0026 0.0014 1125 PHE 74 HD2 -0.0028 0.0024 0.0018 1126 PHE 74 CE2 -0.0056 0.0029 0.0009 1127 PHE 74 HE2 -0.0060 0.0029 0.0009 1128 PHE 74 C 0.0008 0.0012 0.0042 1129 PHE 74 O 0.0017 0.0010 0.0045 1130 HIS 75 N -0.0029 0.0003 0.0091 1131 HIS 75 HN -0.0028 -0.0002 0.0095 1132 HIS 75 CA -0.0040 0.0012 0.0093 1133 HIS 75 HA -0.0041 0.0016 0.0090 1134 HIS 75 CB -0.0043 0.0020 0.0088 1135 HIS 75 HB1 -0.0042 0.0015 0.0092 1136 HIS 75 HB2 -0.0038 0.0023 0.0080 1137 HIS 75 CD2 -0.0064 0.0033 0.0094 1138 HIS 75 HD2 -0.0064 0.0029 0.0098 1139 HIS 75 CG -0.0055 0.0029 0.0090 1140 HIS 75 NE2 -0.0072 0.0042 0.0093 1141 HIS 75 HE2 -0.0080 0.0046 0.0096 1142 HIS 75 ND1 -0.0058 0.0036 0.0085 1143 HIS 75 HD1 -0.0053 0.0036 0.0081 1144 HIS 75 CE1 -0.0068 0.0044 0.0088 1145 HIS 75 HE1 -0.0073 0.0051 0.0085 1146 HIS 75 C -0.0048 0.0007 0.0105 1147 HIS 75 O -0.0048 0.0001 0.0111 1148 LEU 76 N 0.0051 0.0038 0.0126 1149 LEU 76 HN 0.0103 0.0045 0.0133 1150 LEU 76 CA 0.0049 0.0013 0.0077 1151 LEU 76 HA -0.0006 -0.0002 0.0055 1152 LEU 76 CB 0.0112 -0.0010 0.0019 1153 LEU 76 HB1 0.0106 -0.0031 -0.0020 1154 LEU 76 HB2 0.0168 0.0005 0.0042 1155 LEU 76 CG 0.0112 -0.0027 -0.0015 1156 LEU 76 HG 0.0116 -0.0008 0.0024 1157 LEU 76 CD1 0.0182 -0.0046 -0.0064 1158 LEU 76 HD11 0.0183 -0.0065 -0.0103 1159 LEU 76 HD12 0.0182 -0.0059 -0.0090 1160 LEU 76 HD13 0.0235 -0.0027 -0.0034 1161 LEU 76 CD2 0.0040 -0.0053 -0.0054 1162 LEU 76 HD21 -0.0011 -0.0040 -0.0020 1163 LEU 76 HD22 0.0042 -0.0065 -0.0079 1164 LEU 76 HD23 0.0035 -0.0073 -0.0095 1165 LEU 76 C 0.0064 0.0032 0.0112 1166 LEU 76 O 0.0125 0.0050 0.0140 1167 GLU 77 N -0.0003 0.0067 0.0131 1168 GLU 77 HN -0.0015 0.0056 0.0128 1169 GLU 77 CA -0.0025 0.0080 0.0136 1170 GLU 77 HA -0.0010 0.0096 0.0141 1171 GLU 77 CB -0.0054 0.0100 0.0143 1172 GLU 77 HB1 -0.0070 0.0109 0.0145 1173 GLU 77 HB2 -0.0070 0.0085 0.0138 1174 GLU 77 CG -0.0041 0.0130 0.0152 1175 GLU 77 HG1 -0.0033 0.0123 0.0149 1176 GLU 77 HG2 -0.0018 0.0139 0.0155 1177 GLU 77 CD -0.0066 0.0157 0.0161 1178 GLU 77 OE1 -0.0092 0.0154 0.0160 1179 GLU 77 OE2 -0.0058 0.0184 0.0169 1180 GLU 77 C -0.0038 0.0052 0.0127 1181 GLU 77 O -0.0056 0.0031 0.0120 1182 HIS 78 N 0.0096 0.0095 0.0223 1183 HIS 78 HN 0.0160 0.0137 0.0278 1184 HIS 78 CA 0.0131 0.0042 0.0130 1185 HIS 78 HA 0.0069 -0.0006 0.0065 1186 HIS 78 CB 0.0270 0.0033 0.0085 1187 HIS 78 HB1 0.0306 0.0005 0.0032 1188 HIS 78 HB2 0.0332 0.0084 0.0154 1189 HIS 78 CD2 0.0326 0.0011 0.0037 1190 HIS 78 HD2 0.0357 0.0062 0.0113 1191 HIS 78 CG 0.0282 -0.0008 0.0015 1192 HIS 78 NE2 0.0329 -0.0045 -0.0056 1193 HIS 78 HE2 0.0355 -0.0046 -0.0063 1194 HIS 78 ND1 0.0260 -0.0078 -0.0094 1195 HIS 78 HD1 0.0229 -0.0109 -0.0137 1196 HIS 78 CE1 0.0289 -0.0098 -0.0132 1197 HIS 78 HE1 0.0277 -0.0151 -0.0217 1198 HIS 78 C 0.0119 0.0060 0.0163 1199 HIS 78 O 0.0167 0.0117 0.0244 1200 HIS 79 N -0.0017 -0.0196 0.0067 1201 HIS 79 HN -0.0025 -0.0157 0.0067 1202 HIS 79 CA -0.0041 -0.0289 -0.0072 1203 HIS 79 HA -0.0017 -0.0370 -0.0043 1204 HIS 79 CB -0.0103 -0.0183 -0.0205 1205 HIS 79 HB1 -0.0122 -0.0257 -0.0314 1206 HIS 79 HB2 -0.0127 -0.0093 -0.0225 1207 HIS 79 CD2 -0.0140 0.0063 -0.0167 1208 HIS 79 HD2 -0.0160 0.0163 -0.0168 1209 HIS 79 CG -0.0111 -0.0096 -0.0175 1210 HIS 79 NE2 -0.0141 0.0078 -0.0163 1211 HIS 79 HE2 -0.0159 0.0179 -0.0157 1212 HIS 79 ND1 -0.0096 -0.0182 -0.0180 1213 HIS 79 HD1 -0.0075 -0.0301 -0.0189 1214 HIS 79 CE1 -0.0114 -0.0073 -0.0171 1215 HIS 79 HE1 -0.0109 -0.0100 -0.0170 1216 HIS 79 C -0.0044 -0.0385 -0.0141 1217 HIS 79 O -0.0071 -0.0320 -0.0189 1218 GLY 80 N 0.0232 0.0115 0.0010 1219 GLY 80 HN 0.0267 0.0188 0.0029 1220 GLY 80 CA 0.0248 0.0116 -0.0036 1221 GLY 80 HA1 0.0206 0.0081 0.0025 1222 GLY 80 HA2 0.0300 0.0201 -0.0044 1223 GLY 80 C 0.0253 0.0048 -0.0162 1224 GLY 80 O 0.0292 0.0064 -0.0246 1225 GLY 81 N 0.0056 0.0308 0.0103 1226 GLY 81 HN 0.0153 0.0325 0.0236 1227 GLY 81 CA -0.0008 0.0316 0.0023 1228 GLY 81 HA1 0.0040 0.0410 0.0123 1229 GLY 81 HA2 -0.0123 0.0386 -0.0097 1230 GLY 81 C 0.0019 0.0095 -0.0030 1231 GLY 81 O -0.0045 0.0072 -0.0122 1232 LYS 82 N -0.0091 -0.0090 -0.0010 1233 LYS 82 HN -0.0085 -0.0091 -0.0005 1234 LYS 82 CA -0.0081 -0.0119 -0.0016 1235 LYS 82 HA -0.0080 -0.0113 -0.0012 1236 LYS 82 CB -0.0053 -0.0138 -0.0001 1237 LYS 82 HB1 -0.0046 -0.0160 -0.0007 1238 LYS 82 HB2 -0.0054 -0.0143 -0.0005 1239 LYS 82 CG -0.0033 -0.0120 0.0026 1240 LYS 82 HG1 -0.0041 -0.0096 0.0031 1241 LYS 82 HG2 -0.0030 -0.0115 0.0030 1242 LYS 82 CD -0.0005 -0.0136 0.0041 1243 LYS 82 HD1 0.0004 -0.0159 0.0037 1244 LYS 82 HD2 -0.0009 -0.0142 0.0035 1245 LYS 82 CE 0.0014 -0.0116 0.0068 1246 LYS 82 HE1 0.0033 -0.0129 0.0077 1247 LYS 82 HE2 0.0005 -0.0093 0.0071 1248 LYS 82 NZ 0.0020 -0.0108 0.0078 1249 LYS 82 HZ1 0.0028 -0.0128 0.0074 1250 LYS 82 HZ2 0.0003 -0.0093 0.0070 1251 LYS 82 HZ3 0.0034 -0.0095 0.0096 1252 LYS 82 C -0.0100 -0.0140 -0.0043 1253 LYS 82 O -0.0112 -0.0142 -0.0054 1254 VAL 83 N -0.0049 -0.0080 -0.0031 1255 VAL 83 HN -0.0064 -0.0092 -0.0045 1256 VAL 83 CA -0.0046 -0.0071 -0.0016 1257 VAL 83 HA -0.0036 -0.0058 0.0002 1258 VAL 83 CB -0.0024 -0.0074 -0.0033 1259 VAL 83 HB -0.0002 -0.0071 -0.0039 1260 VAL 83 CG1 -0.0036 -0.0092 -0.0060 1261 VAL 83 HG11 -0.0019 -0.0094 -0.0073 1262 VAL 83 HG12 -0.0041 -0.0101 -0.0073 1263 VAL 83 HG13 -0.0058 -0.0096 -0.0056 1264 VAL 83 CG2 -0.0017 -0.0062 -0.0015 1265 VAL 83 HG21 0.0001 -0.0064 -0.0027 1266 VAL 83 HG22 -0.0038 -0.0065 -0.0010 1267 VAL 83 HG23 -0.0009 -0.0050 0.0005 1268 VAL 83 C -0.0076 -0.0074 -0.0006 1269 VAL 83 O -0.0098 -0.0088 -0.0021 1270 SER 84 N -0.0076 -0.0018 0.0049 1271 SER 84 HN -0.0071 -0.0017 0.0053 1272 SER 84 CA -0.0082 0.0001 0.0051 1273 SER 84 HA -0.0086 -0.0002 0.0047 1274 SER 84 CB -0.0097 0.0015 0.0045 1275 SER 84 HB1 -0.0093 0.0019 0.0049 1276 SER 84 HB2 -0.0108 0.0005 0.0035 1277 SER 84 OG -0.0104 0.0033 0.0045 1278 SER 84 HG1 -0.0114 0.0040 0.0040 1279 SER 84 C -0.0066 0.0012 0.0065 1280 SER 84 O -0.0054 0.0012 0.0072 1281 ILE 85 N -0.0062 0.0011 0.0024 1282 ILE 85 HN -0.0077 0.0003 0.0022 1283 ILE 85 CA -0.0051 0.0012 0.0022 1284 ILE 85 HA -0.0034 0.0020 0.0022 1285 ILE 85 CB -0.0052 -0.0005 0.0006 1286 ILE 85 HB -0.0070 -0.0011 0.0006 1287 ILE 85 CG2 -0.0039 -0.0002 0.0002 1288 ILE 85 HG21 -0.0039 -0.0015 -0.0010 1289 ILE 85 HG22 -0.0045 0.0005 0.0012 1290 ILE 85 HG23 -0.0021 0.0004 0.0002 1291 ILE 85 CG1 -0.0046 -0.0017 -0.0009 1292 ILE 85 HG11 -0.0047 -0.0029 -0.0020 1293 ILE 85 HG12 -0.0057 -0.0020 -0.0007 1294 ILE 85 CD -0.0022 -0.0011 -0.0012 1295 ILE 85 HD1 -0.0019 -0.0020 -0.0021 1296 ILE 85 HD2 -0.0010 -0.0011 -0.0016 1297 ILE 85 HD3 -0.0019 0.0002 -0.0001 1298 ILE 85 C -0.0063 0.0022 0.0036 1299 ILE 85 O -0.0083 0.0017 0.0038 1300 LYS 86 N -0.0062 0.0018 0.0103 1301 LYS 86 HN -0.0069 0.0026 0.0098 1302 LYS 86 CA -0.0051 0.0019 0.0089 1303 LYS 86 HA -0.0041 0.0008 0.0096 1304 LYS 86 CB -0.0064 0.0031 0.0083 1305 LYS 86 HB1 -0.0074 0.0029 0.0098 1306 LYS 86 HB2 -0.0055 0.0030 0.0075 1307 LYS 86 CG -0.0077 0.0048 0.0071 1308 LYS 86 HG1 -0.0067 0.0051 0.0056 1309 LYS 86 HG2 -0.0085 0.0049 0.0078 1310 LYS 86 CD -0.0090 0.0059 0.0068 1311 LYS 86 HD1 -0.0100 0.0056 0.0084 1312 LYS 86 HD2 -0.0082 0.0057 0.0063 1313 LYS 86 CE -0.0103 0.0076 0.0055 1314 LYS 86 HE1 -0.0093 0.0080 0.0039 1315 LYS 86 HE2 -0.0111 0.0078 0.0060 1316 LYS 86 NZ -0.0118 0.0086 0.0056 1317 LYS 86 HZ1 -0.0114 0.0080 0.0061 1318 LYS 86 HZ2 -0.0131 0.0088 0.0067 1319 LYS 86 HZ3 -0.0121 0.0096 0.0042 1320 LYS 86 C -0.0037 0.0021 0.0071 1321 LYS 86 O -0.0040 0.0026 0.0066 1322 GLY 87 N -0.0028 0.0009 0.0052 1323 GLY 87 HN -0.0030 0.0005 0.0058 1324 GLY 87 CA -0.0034 0.0005 0.0049 1325 GLY 87 HA1 -0.0042 0.0001 0.0044 1326 GLY 87 HA2 -0.0031 0.0010 0.0043 1327 GLY 87 C -0.0035 0.0000 0.0060 1328 GLY 87 O -0.0029 0.0001 0.0070 1329 HIS 88 N 0.0092 -0.0167 0.0028 1330 HIS 88 HN 0.0189 -0.0236 0.0023 1331 HIS 88 CA 0.0109 -0.0039 -0.0076 1332 HIS 88 HA 0.0019 0.0054 -0.0091 1333 HIS 88 CB 0.0270 -0.0012 -0.0188 1334 HIS 88 HB1 0.0366 -0.0097 -0.0181 1335 HIS 88 HB2 0.0293 -0.0019 -0.0196 1336 HIS 88 CD2 0.0384 0.0180 -0.0394 1337 HIS 88 HD2 0.0497 0.0116 -0.0412 1338 HIS 88 CG 0.0275 0.0138 -0.0301 1339 HIS 88 NE2 0.0323 0.0329 -0.0468 1340 HIS 88 HE2 0.0371 0.0395 -0.0544 1341 HIS 88 ND1 0.0146 0.0258 -0.0314 1342 HIS 88 HD1 0.0049 0.0259 -0.0259 1343 HIS 88 CE1 0.0180 0.0370 -0.0416 1344 HIS 88 HE1 0.0102 0.0482 -0.0453 1345 HIS 88 C 0.0070 -0.0040 -0.0053 1346 HIS 88 O 0.0088 -0.0154 0.0021 1347 HIS 89 N 0.0271 -0.0016 -0.0082 1348 HIS 89 HN 0.0516 0.0215 -0.0065 1349 HIS 89 CA -0.0093 0.0030 0.0247 1350 HIS 89 HA -0.0015 0.0306 0.0435 1351 HIS 89 CB -0.0388 -0.0232 0.0242 1352 HIS 89 HB1 -0.0640 -0.0160 0.0505 1353 HIS 89 HB2 -0.0497 -0.0522 0.0066 1354 HIS 89 CD2 -0.0159 -0.0462 -0.0147 1355 HIS 89 HD2 -0.0231 -0.0749 -0.0349 1356 HIS 89 CG -0.0206 -0.0202 0.0126 1357 HIS 89 NE2 -0.0004 -0.0291 -0.0113 1358 HIS 89 HE2 0.0050 -0.0408 -0.0261 1359 HIS 89 ND1 -0.0081 0.0128 0.0326 1360 HIS 89 HD1 -0.0080 0.0367 0.0541 1361 HIS 89 CE1 0.0038 0.0064 0.0174 1362 HIS 89 HE1 0.0147 0.0265 0.0270 1363 HIS 89 C -0.0280 0.0014 0.0379 1364 HIS 89 O -0.0603 0.0017 0.0637 1365 HIS 90 N -0.0009 0.0006 0.0086 1366 HIS 90 HN -0.0116 -0.0013 0.0250 1367 HIS 90 CA 0.0012 -0.0060 -0.0028 1368 HIS 90 HA -0.0113 -0.0147 0.0084 1369 HIS 90 CB 0.0034 -0.0238 -0.0278 1370 HIS 90 HB1 0.0070 -0.0260 -0.0367 1371 HIS 90 HB2 0.0143 -0.0179 -0.0398 1372 HIS 90 CD2 -0.0221 -0.0531 -0.0181 1373 HIS 90 HD2 -0.0185 -0.0433 -0.0128 1374 HIS 90 CG -0.0135 -0.0466 -0.0254 1375 HIS 90 NE2 -0.0375 -0.0759 -0.0183 1376 HIS 90 HE2 -0.0464 -0.0850 -0.0136 1377 HIS 90 ND1 -0.0234 -0.0659 -0.0309 1378 HIS 90 HD1 -0.0198 -0.0676 -0.0392 1379 HIS 90 CE1 -0.0377 -0.0830 -0.0262 1380 HIS 90 HE1 -0.0479 -0.1004 -0.0290 1381 HIS 90 C 0.0141 0.0137 -0.0021 1382 HIS 90 O 0.0191 0.0106 -0.0144 1383 HIS 91 N -0.0005 0.0013 -0.0013 1384 HIS 91 HN -0.0021 0.0010 -0.0005 1385 HIS 91 CA -0.0001 0.0034 -0.0025 1386 HIS 91 HA 0.0015 0.0032 -0.0031 1387 HIS 91 CB -0.0020 0.0044 -0.0022 1388 HIS 91 HB1 -0.0016 0.0060 -0.0032 1389 HIS 91 HB2 -0.0037 0.0048 -0.0017 1390 HIS 91 CD2 -0.0038 0.0020 -0.0002 1391 HIS 91 HD2 -0.0056 0.0023 0.0004 1392 HIS 91 CG -0.0020 0.0029 -0.0014 1393 HIS 91 NE2 -0.0028 0.0005 0.0001 1394 HIS 91 HE2 -0.0036 -0.0005 0.0009 1395 HIS 91 ND1 -0.0000 0.0021 -0.0019 1396 HIS 91 HD1 0.0015 0.0025 -0.0028 1397 HIS 91 CE1 -0.0006 0.0006 -0.0010 1398 HIS 91 HE1 0.0007 -0.0004 -0.0010 1399 HIS 91 C -0.0000 0.0052 -0.0034 1400 HIS 91 O -0.0011 0.0052 -0.0030 1401 TYR 92 N 0.0005 0.0060 0.0001 1402 TYR 92 HN 0.0013 0.0055 0.0004 1403 TYR 92 CA 0.0000 0.0068 0.0012 1404 TYR 92 HA -0.0009 0.0073 0.0008 1405 TYR 92 CB -0.0000 0.0072 0.0022 1406 TYR 92 HB1 -0.0002 0.0077 0.0031 1407 TYR 92 HB2 0.0009 0.0066 0.0025 1408 TYR 92 CG -0.0009 0.0076 0.0016 1409 TYR 92 CD1 -0.0006 0.0071 0.0007 1410 TYR 92 HD1 0.0002 0.0063 0.0005 1411 TYR 92 CE1 -0.0014 0.0075 0.0002 1412 TYR 92 HE1 -0.0012 0.0071 -0.0005 1413 TYR 92 CZ -0.0025 0.0085 0.0005 1414 TYR 92 OH -0.0033 0.0089 -0.0001 1415 TYR 92 HH -0.0040 0.0095 0.0002 1416 TYR 92 CD2 -0.0019 0.0086 0.0019 1417 TYR 92 HD2 -0.0021 0.0090 0.0026 1418 TYR 92 CE2 -0.0027 0.0090 0.0014 1419 TYR 92 HE2 -0.0036 0.0097 0.0017 1420 TYR 92 C 0.0006 0.0066 0.0019 1421 TYR 92 O 0.0016 0.0059 0.0022 1422 ILE 93 N 0.0003 0.0009 0.0009 1423 ILE 93 HN 0.0012 0.0013 0.0009 1424 ILE 93 CA 0.0002 -0.0002 -0.0001 1425 ILE 93 HA -0.0003 -0.0004 0.0001 1426 ILE 93 CB 0.0016 -0.0004 -0.0009 1427 ILE 93 HB 0.0021 -0.0003 -0.0011 1428 ILE 93 CG2 0.0025 0.0005 -0.0005 1429 ILE 93 HG21 0.0035 0.0004 -0.0011 1430 ILE 93 HG22 0.0020 0.0005 -0.0003 1431 ILE 93 HG23 0.0027 0.0014 0.0002 1432 ILE 93 CG1 0.0015 -0.0016 -0.0020 1433 ILE 93 HG11 0.0012 -0.0016 -0.0019 1434 ILE 93 HG12 0.0007 -0.0022 -0.0022 1435 ILE 93 CD 0.0029 -0.0018 -0.0029 1436 ILE 93 HD1 0.0032 -0.0018 -0.0031 1437 ILE 93 HD2 0.0028 -0.0027 -0.0037 1438 ILE 93 HD3 0.0037 -0.0012 -0.0028 1439 ILE 93 C -0.0007 -0.0011 -0.0004 1440 ILE 93 O -0.0005 -0.0011 -0.0005 1441 SER 94 N 0.0041 -0.0012 -0.0033 1442 SER 94 HN 0.0041 -0.0024 -0.0042 1443 SER 94 CA 0.0032 -0.0022 -0.0015 1444 SER 94 HA 0.0033 -0.0008 -0.0006 1445 SER 94 CB 0.0023 -0.0034 0.0002 1446 SER 94 HB1 0.0021 -0.0050 -0.0006 1447 SER 94 HB2 0.0024 -0.0021 0.0007 1448 SER 94 OG 0.0015 -0.0038 0.0023 1449 SER 94 HG1 0.0012 -0.0051 0.0020 1450 SER 94 C 0.0031 -0.0040 -0.0025 1451 SER 94 O 0.0032 -0.0056 -0.0039 1452 ALA 95 N 0.0021 -0.0069 -0.0050 1453 ALA 95 HN 0.0025 -0.0050 -0.0032 1454 ALA 95 CA 0.0019 -0.0081 -0.0059 1455 ALA 95 HA 0.0015 -0.0098 -0.0082 1456 ALA 95 CB 0.0023 -0.0049 -0.0067 1457 ALA 95 HB1 0.0027 -0.0031 -0.0044 1458 ALA 95 HB2 0.0021 -0.0057 -0.0074 1459 ALA 95 HB3 0.0024 -0.0033 -0.0090 1460 ALA 95 C 0.0018 -0.0101 -0.0028 1461 ALA 95 O 0.0021 -0.0089 0.0002 1462 ASP 96 N 0.0003 -0.0119 -0.0082 1463 ASP 96 HN -0.0013 -0.0138 -0.0119 1464 ASP 96 CA -0.0004 -0.0147 -0.0049 1465 ASP 96 HA 0.0007 -0.0145 -0.0000 1466 ASP 96 CB -0.0038 -0.0209 -0.0065 1467 ASP 96 HB1 -0.0045 -0.0232 -0.0042 1468 ASP 96 HB2 -0.0050 -0.0212 -0.0115 1469 ASP 96 CG -0.0051 -0.0242 -0.0043 1470 ASP 96 OD1 -0.0079 -0.0291 -0.0061 1471 ASP 96 OD2 -0.0033 -0.0221 -0.0008 1472 ASP 96 C 0.0008 -0.0115 -0.0070 1473 ASP 96 O 0.0018 -0.0078 -0.0113 1474 HIS 97 N 0.0041 -0.0034 -0.0014 1475 HIS 97 HN 0.0012 -0.0057 0.0042 1476 HIS 97 CA 0.0044 -0.0046 -0.0038 1477 HIS 97 HA 0.0073 0.0017 -0.0047 1478 HIS 97 CB 0.0002 -0.0086 0.0034 1479 HIS 97 HB1 0.0007 -0.0092 0.0014 1480 HIS 97 HB2 -0.0028 -0.0153 0.0043 1481 HIS 97 CD2 0.0014 0.0042 0.0153 1482 HIS 97 HD2 0.0040 0.0076 0.0120 1483 HIS 97 CG -0.0005 -0.0030 0.0122 1484 HIS 97 NE2 -0.0006 0.0067 0.0240 1485 HIS 97 HE2 0.0005 0.0125 0.0277 1486 HIS 97 ND1 -0.0037 -0.0052 0.0188 1487 HIS 97 HD1 -0.0056 -0.0103 0.0184 1488 HIS 97 CE1 -0.0036 0.0008 0.0257 1489 HIS 97 HE1 -0.0057 0.0012 0.0321 1490 HIS 97 C 0.0050 -0.0106 -0.0126 1491 HIS 97 O 0.0067 -0.0100 -0.0170 1492 HIS 98 N 0.0024 -0.0220 -0.0225 1493 HIS 98 HN 0.0004 -0.0198 -0.0184 1494 HIS 98 CA -0.0040 -0.0126 -0.0164 1495 HIS 98 HA -0.0004 -0.0197 -0.0135 1496 HIS 98 CB -0.0093 0.0005 -0.0297 1497 HIS 98 HB1 -0.0129 0.0077 -0.0330 1498 HIS 98 HB2 -0.0046 -0.0044 -0.0417 1499 HIS 98 CD2 -0.0247 0.0256 -0.0228 1500 HIS 98 HD2 -0.0292 0.0342 -0.0258 1501 HIS 98 CG -0.0159 0.0105 -0.0239 1502 HIS 98 NE2 -0.0273 0.0284 -0.0165 1503 HIS 98 HE2 -0.0334 0.0385 -0.0144 1504 HIS 98 ND1 -0.0130 0.0037 -0.0183 1505 HIS 98 HD1 -0.0068 -0.0074 -0.0177 1506 HIS 98 CE1 -0.0200 0.0149 -0.0141 1507 HIS 98 HE1 -0.0199 0.0134 -0.0096 1508 HIS 98 C -0.0103 -0.0061 0.0002 1509 HIS 98 O -0.0117 -0.0046 0.0038 1510 GLY 99 N -0.0168 -0.0085 -0.0266 1511 GLY 99 HN -0.0159 -0.0066 -0.0315 1512 GLY 99 CA -0.0208 -0.0112 -0.0262 1513 GLY 99 HA1 -0.0240 -0.0144 -0.0224 1514 GLY 99 HA2 -0.0232 -0.0113 -0.0316 1515 GLY 99 C -0.0174 -0.0097 -0.0236 1516 GLY 99 O -0.0116 -0.0060 -0.0233 1517 HIS 100 N -0.0059 -0.0010 -0.0355 1518 HIS 100 HN -0.0098 0.0048 -0.0349 1519 HIS 100 CA -0.0032 -0.0051 -0.0270 1520 HIS 100 HA -0.0006 -0.0089 -0.0248 1521 HIS 100 CB -0.0072 0.0008 -0.0189 1522 HIS 100 HB1 -0.0052 -0.0023 -0.0124 1523 HIS 100 HB2 -0.0099 0.0048 -0.0212 1524 HIS 100 CD2 -0.0090 0.0034 -0.0137 1525 HIS 100 HD2 -0.0051 -0.0024 -0.0135 1526 HIS 100 CG -0.0105 0.0056 -0.0163 1527 HIS 100 NE2 -0.0136 0.0102 -0.0111 1528 HIS 100 HE2 -0.0140 0.0106 -0.0085 1529 HIS 100 ND1 -0.0159 0.0136 -0.0153 1530 HIS 100 HD1 -0.0181 0.0168 -0.0167 1531 HIS 100 CE1 -0.0176 0.0161 -0.0122 1532 HIS 100 HE1 -0.0218 0.0222 -0.0104 1533 HIS 100 C 0.0002 -0.0101 -0.0277 1534 HIS 100 O -0.0014 -0.0077 -0.0311 1535 VAL 101 N -0.0009 -0.0119 -0.0169 1536 VAL 101 HN -0.0003 -0.0119 -0.0179 1537 VAL 101 CA 0.0004 -0.0114 -0.0153 1538 VAL 101 HA 0.0004 -0.0114 -0.0150 1539 VAL 101 CB 0.0024 -0.0110 -0.0159 1540 VAL 101 HB 0.0024 -0.0111 -0.0164 1541 VAL 101 CG1 0.0039 -0.0104 -0.0142 1542 VAL 101 HG11 0.0035 -0.0104 -0.0129 1543 VAL 101 HG12 0.0040 -0.0103 -0.0137 1544 VAL 101 HG13 0.0053 -0.0102 -0.0148 1545 VAL 101 CG2 0.0031 -0.0110 -0.0176 1546 VAL 101 HG21 0.0032 -0.0110 -0.0171 1547 VAL 101 HG22 0.0022 -0.0114 -0.0189 1548 VAL 101 HG23 0.0046 -0.0107 -0.0181 1549 VAL 101 C -0.0003 -0.0113 -0.0133 1550 VAL 101 O -0.0012 -0.0116 -0.0133 1551 SER 102 N 0.0028 -0.0116 -0.0094 1552 SER 102 HN 0.0030 -0.0114 -0.0092 1553 SER 102 CA 0.0023 -0.0108 -0.0078 1554 SER 102 HA 0.0027 -0.0109 -0.0083 1555 SER 102 CB 0.0002 -0.0113 -0.0069 1556 SER 102 HB1 -0.0006 -0.0124 -0.0079 1557 SER 102 HB2 -0.0002 -0.0108 -0.0059 1558 SER 102 OG -0.0005 -0.0111 -0.0060 1559 SER 102 HG1 -0.0008 -0.0118 -0.0069 1560 SER 102 C 0.0035 -0.0092 -0.0065 1561 SER 102 O 0.0052 -0.0087 -0.0070 1562 THR 103 N 0.0012 -0.0027 -0.0023 1563 THR 103 HN 0.0006 -0.0028 -0.0022 1564 THR 103 CA 0.0014 -0.0017 -0.0019 1565 THR 103 HA 0.0015 -0.0018 -0.0020 1566 THR 103 CB 0.0023 -0.0011 -0.0019 1567 THR 103 HB 0.0030 -0.0015 -0.0022 1568 THR 103 OG1 0.0025 -0.0002 -0.0015 1569 THR 103 HG1 0.0032 0.0001 -0.0016 1570 THR 103 CG2 0.0021 -0.0009 -0.0017 1571 THR 103 HG21 0.0028 -0.0005 -0.0017 1572 THR 103 HG22 0.0020 -0.0016 -0.0020 1573 THR 103 HG23 0.0015 -0.0004 -0.0014 1574 THR 103 C 0.0004 -0.0012 -0.0014 1575 THR 103 O -0.0002 -0.0014 -0.0014 1576 LYS 104 N 0.0039 0.0027 -0.0038 1577 LYS 104 HN 0.0033 0.0035 -0.0039 1578 LYS 104 CA 0.0043 0.0022 -0.0034 1579 LYS 104 HA 0.0048 0.0014 -0.0039 1580 LYS 104 CB 0.0047 0.0021 -0.0018 1581 LYS 104 HB1 0.0051 0.0015 -0.0016 1582 LYS 104 HB2 0.0051 0.0016 -0.0016 1583 LYS 104 CG 0.0041 0.0032 -0.0008 1584 LYS 104 HG1 0.0038 0.0037 -0.0008 1585 LYS 104 HG2 0.0037 0.0037 -0.0011 1586 LYS 104 CD 0.0046 0.0029 0.0007 1587 LYS 104 HD1 0.0049 0.0025 0.0008 1588 LYS 104 HD2 0.0051 0.0023 0.0010 1589 LYS 104 CE 0.0041 0.0040 0.0018 1590 LYS 104 HE1 0.0038 0.0044 0.0017 1591 LYS 104 HE2 0.0036 0.0046 0.0016 1592 LYS 104 NZ 0.0045 0.0037 0.0032 1593 LYS 104 HZ1 0.0042 0.0044 0.0038 1594 LYS 104 HZ2 0.0051 0.0030 0.0034 1595 LYS 104 HZ3 0.0045 0.0038 0.0036 1596 LYS 104 C 0.0037 0.0029 -0.0038 1597 LYS 104 O 0.0030 0.0039 -0.0041 1598 GLU 105 N -0.0053 0.0140 -0.0117 1599 GLU 105 HN -0.0094 0.0152 -0.0118 1600 GLU 105 CA 0.0003 0.0098 -0.0065 1601 GLU 105 HA 0.0022 0.0083 -0.0043 1602 GLU 105 CB -0.0032 0.0077 0.0003 1603 GLU 105 HB1 -0.0051 0.0093 -0.0018 1604 GLU 105 HB2 -0.0085 0.0080 0.0031 1605 GLU 105 CG 0.0026 0.0032 0.0061 1606 GLU 105 HG1 0.0048 0.0017 0.0080 1607 GLU 105 HG2 0.0078 0.0027 0.0038 1608 GLU 105 CD -0.0013 0.0012 0.0130 1609 GLU 105 OE1 -0.0043 -0.0005 0.0185 1610 GLU 105 OE2 -0.0014 0.0013 0.0127 1611 GLU 105 C 0.0075 0.0096 -0.0107 1612 GLU 105 O 0.0068 0.0119 -0.0150 1613 HIS 106 N 0.0005 0.0107 0.0015 1614 HIS 106 HN 0.0019 0.0066 0.0114 1615 HIS 106 CA 0.0123 0.0050 -0.0090 1616 HIS 106 HA 0.0195 -0.0028 -0.0016 1617 HIS 106 CB 0.0121 0.0073 -0.0161 1618 HIS 106 HB1 0.0219 0.0020 -0.0230 1619 HIS 106 HB2 0.0051 0.0151 -0.0241 1620 HIS 106 CD2 -0.0012 0.0126 -0.0005 1621 HIS 106 HD2 -0.0095 0.0207 -0.0062 1622 HIS 106 CG 0.0091 0.0058 -0.0037 1623 HIS 106 NE2 0.0003 0.0074 0.0129 1624 HIS 106 HE2 -0.0067 0.0106 0.0198 1625 HIS 106 ND1 0.0174 -0.0037 0.0069 1626 HIS 106 HD1 0.0257 -0.0102 0.0073 1627 HIS 106 CE1 0.0117 -0.0024 0.0168 1628 HIS 106 HE1 0.0153 -0.0083 0.0271 1629 HIS 106 C 0.0179 0.0046 -0.0216 1630 HIS 106 O 0.0110 0.0121 -0.0290 1631 HIS 107 N -0.0019 0.0152 -0.0055 1632 HIS 107 HN -0.0028 0.0146 -0.0071 1633 HIS 107 CA -0.0030 0.0125 -0.0037 1634 HIS 107 HA -0.0021 0.0126 -0.0009 1635 HIS 107 CB -0.0052 0.0091 -0.0043 1636 HIS 107 HB1 -0.0061 0.0092 -0.0072 1637 HIS 107 HB2 -0.0050 0.0088 -0.0028 1638 HIS 107 CD2 -0.0081 0.0047 -0.0049 1639 HIS 107 HD2 -0.0087 0.0050 -0.0078 1640 HIS 107 CG -0.0065 0.0063 -0.0030 1641 HIS 107 NE2 -0.0087 0.0024 -0.0024 1642 HIS 107 HE2 -0.0097 0.0009 -0.0029 1643 HIS 107 ND1 -0.0061 0.0051 0.0007 1644 HIS 107 HD1 -0.0051 0.0058 0.0027 1645 HIS 107 CE1 -0.0074 0.0028 0.0009 1646 HIS 107 HE1 -0.0076 0.0013 0.0034 1647 HIS 107 C -0.0033 0.0126 -0.0049 1648 HIS 107 O -0.0037 0.0135 -0.0081 1649 ASP 108 N -0.0025 0.0060 0.0009 1650 ASP 108 HN -0.0024 0.0056 0.0020 1651 ASP 108 CA -0.0023 0.0054 0.0028 1652 ASP 108 HA -0.0038 0.0054 0.0017 1653 ASP 108 CB 0.0014 0.0060 0.0030 1654 ASP 108 HB1 0.0029 0.0058 0.0045 1655 ASP 108 HB2 0.0023 0.0069 0.0005 1656 ASP 108 CG 0.0021 0.0057 0.0042 1657 ASP 108 OD1 -0.0002 0.0049 0.0054 1658 ASP 108 OD2 0.0050 0.0063 0.0040 1659 ASP 108 C -0.0036 0.0040 0.0061 1660 ASP 108 O -0.0041 0.0036 0.0071 1661 HIS 109 N 0.0022 0.0017 0.0015 1662 HIS 109 HN 0.0046 0.0039 -0.0024 1663 HIS 109 CA 0.0014 0.0037 0.0028 1664 HIS 109 HA -0.0004 -0.0007 0.0056 1665 HIS 109 CB 0.0051 0.0045 -0.0032 1666 HIS 109 HB1 0.0046 0.0076 -0.0022 1667 HIS 109 HB2 0.0074 0.0075 -0.0069 1668 HIS 109 CD2 0.0098 -0.0067 -0.0113 1669 HIS 109 HD2 0.0123 -0.0049 -0.0153 1670 HIS 109 CG 0.0064 -0.0032 -0.0057 1671 HIS 109 NE2 0.0096 -0.0137 -0.0113 1672 HIS 109 HE2 0.0116 -0.0175 -0.0148 1673 HIS 109 ND1 0.0041 -0.0080 -0.0022 1674 HIS 109 HD1 0.0015 -0.0070 0.0022 1675 HIS 109 CE1 0.0062 -0.0142 -0.0058 1676 HIS 109 HE1 0.0051 -0.0191 -0.0042 1677 HIS 109 C -0.0011 0.0105 0.0072 1678 HIS 109 O -0.0032 0.0114 0.0105 1679 ASP 110 N 0.0028 0.0047 0.0104 1680 ASP 110 HN 0.0035 0.0035 0.0114 1681 ASP 110 CA 0.0032 0.0027 0.0083 1682 ASP 110 HA 0.0034 0.0029 0.0094 1683 ASP 110 CB 0.0046 -0.0010 0.0080 1684 ASP 110 HB1 0.0048 -0.0024 0.0061 1685 ASP 110 HB2 0.0045 -0.0011 0.0072 1686 ASP 110 CG 0.0060 -0.0027 0.0113 1687 ASP 110 OD1 0.0060 -0.0013 0.0139 1688 ASP 110 OD2 0.0071 -0.0056 0.0111 1689 ASP 110 C 0.0021 0.0035 0.0046 1690 ASP 110 O 0.0020 0.0027 0.0028 1691 THR 111 N -0.0013 0.0031 0.0042 1692 THR 111 HN -0.0021 0.0034 0.0038 1693 THR 111 CA -0.0011 0.0034 0.0036 1694 THR 111 HA -0.0001 0.0031 0.0040 1695 THR 111 CB -0.0009 0.0042 0.0020 1696 THR 111 HB -0.0005 0.0043 0.0016 1697 THR 111 OG1 -0.0023 0.0046 0.0012 1698 THR 111 HG1 -0.0030 0.0046 0.0013 1699 THR 111 CG2 0.0004 0.0043 0.0015 1700 THR 111 HG21 0.0000 0.0042 0.0019 1701 THR 111 HG22 0.0006 0.0049 0.0003 1702 THR 111 HG23 0.0015 0.0040 0.0020 1703 THR 111 C -0.0026 0.0033 0.0040 1704 THR 111 O -0.0028 0.0036 0.0034 1705 THR 112 N -0.0042 -0.0001 0.0051 1706 THR 112 HN -0.0039 0.0008 0.0043 1707 THR 112 CA -0.0051 -0.0025 0.0052 1708 THR 112 HA -0.0053 -0.0032 0.0063 1709 THR 112 CB -0.0057 -0.0036 0.0029 1710 THR 112 HB -0.0054 -0.0029 0.0018 1711 THR 112 OG1 -0.0056 -0.0034 0.0016 1712 THR 112 HG1 -0.0051 -0.0018 0.0012 1713 THR 112 CG2 -0.0066 -0.0060 0.0032 1714 THR 112 HG21 -0.0068 -0.0068 0.0043 1715 THR 112 HG22 -0.0070 -0.0068 0.0015 1716 THR 112 HG23 -0.0067 -0.0064 0.0040 1717 THR 112 C -0.0051 -0.0028 0.0063 1718 THR 112 O -0.0048 -0.0017 0.0057 1719 PHE 113 N -0.0053 -0.0017 -0.0008 1720 PHE 113 HN -0.0060 -0.0019 -0.0013 1721 PHE 113 CA -0.0053 -0.0015 0.0007 1722 PHE 113 HA -0.0046 -0.0013 0.0013 1723 PHE 113 CB -0.0049 -0.0014 0.0011 1724 PHE 113 HB1 -0.0048 -0.0011 0.0022 1725 PHE 113 HB2 -0.0058 -0.0015 0.0007 1726 PHE 113 CG -0.0036 -0.0013 0.0003 1727 PHE 113 CD1 -0.0035 -0.0014 -0.0005 1728 PHE 113 HD1 -0.0045 -0.0016 -0.0006 1729 PHE 113 CE1 -0.0023 -0.0013 -0.0012 1730 PHE 113 HE1 -0.0023 -0.0014 -0.0019 1731 PHE 113 CZ -0.0011 -0.0011 -0.0011 1732 PHE 113 HZ -0.0001 -0.0011 -0.0016 1733 PHE 113 CD2 -0.0023 -0.0011 0.0005 1734 PHE 113 HD2 -0.0024 -0.0010 0.0011 1735 PHE 113 CE2 -0.0011 -0.0010 -0.0002 1736 PHE 113 HE2 -0.0001 -0.0009 -0.0001 1737 PHE 113 C -0.0068 -0.0016 0.0013 1738 PHE 113 O -0.0078 -0.0019 0.0005 1739 GLU 114 N -0.0065 -0.0011 0.0047 1740 GLU 114 HN -0.0047 -0.0044 0.0058 1741 GLU 114 CA -0.0098 0.0056 0.0058 1742 GLU 114 HA -0.0118 0.0086 0.0026 1743 GLU 114 CB -0.0096 0.0080 0.0138 1744 GLU 114 HB1 -0.0122 0.0133 0.0145 1745 GLU 114 HB2 -0.0076 0.0052 0.0169 1746 GLU 114 CG -0.0087 0.0073 0.0170 1747 GLU 114 HG1 -0.0061 0.0022 0.0172 1748 GLU 114 HG2 -0.0105 0.0097 0.0136 1749 GLU 114 CD -0.0091 0.0105 0.0246 1750 GLU 114 OE1 -0.0090 0.0112 0.0272 1751 GLU 114 OE2 -0.0094 0.0122 0.0278 1752 GLU 114 C -0.0106 0.0065 0.0032 1753 GLU 114 O -0.0084 0.0018 0.0025 1754 GLU 115 N -0.0043 0.0066 0.0058 1755 GLU 115 HN -0.0040 0.0103 0.0072 1756 GLU 115 CA -0.0018 0.0047 0.0018 1757 GLU 115 HA -0.0002 0.0037 -0.0008 1758 GLU 115 CB 0.0008 0.0093 0.0006 1759 GLU 115 HB1 0.0025 0.0078 -0.0022 1760 GLU 115 HB2 -0.0008 0.0110 0.0035 1761 GLU 115 CG 0.0034 0.0136 -0.0006 1762 GLU 115 HG1 0.0019 0.0152 0.0021 1763 GLU 115 HG2 0.0052 0.0119 -0.0036 1764 GLU 115 CD 0.0058 0.0181 -0.0014 1765 GLU 115 OE1 0.0075 0.0169 -0.0040 1766 GLU 115 OE2 0.0062 0.0227 0.0004 1767 GLU 115 C -0.0033 -0.0001 0.0014 1768 GLU 115 O -0.0063 -0.0013 0.0046 1769 ILE 116 N -0.0015 -0.0031 0.0047 1770 ILE 116 HN -0.0003 -0.0027 0.0050 1771 ILE 116 CA -0.0019 -0.0048 0.0035 1772 ILE 116 HA -0.0033 -0.0051 0.0032 1773 ILE 116 CB -0.0020 -0.0051 0.0033 1774 ILE 116 HB -0.0006 -0.0047 0.0037 1775 ILE 116 CG2 -0.0038 -0.0041 0.0039 1776 ILE 116 HG21 -0.0037 -0.0027 0.0047 1777 ILE 116 HG22 -0.0038 -0.0041 0.0038 1778 ILE 116 HG23 -0.0052 -0.0046 0.0034 1779 ILE 116 CG1 -0.0022 -0.0070 0.0021 1780 ILE 116 HG11 -0.0035 -0.0075 0.0017 1781 ILE 116 HG12 -0.0009 -0.0078 0.0017 1782 ILE 116 CD -0.0022 -0.0073 0.0019 1783 ILE 116 HD1 -0.0008 -0.0068 0.0023 1784 ILE 116 HD2 -0.0022 -0.0087 0.0011 1785 ILE 116 HD3 -0.0035 -0.0067 0.0022 1786 ILE 116 C -0.0003 -0.0060 0.0029 1787 ILE 116 O 0.0015 -0.0057 0.0033 1788 ILE 117 N 0.0191 -0.0005 -0.0011 1789 ILE 117 HN 0.0340 0.0050 -0.0020 1790 ILE 117 CA -0.0004 -0.0007 0.0098 1791 ILE 117 HA -0.0150 -0.0107 0.0044 1792 ILE 117 CB 0.0025 -0.0017 0.0068 1793 ILE 117 HB 0.0191 0.0074 0.0097 1794 ILE 117 CG2 -0.0162 0.0012 0.0214 1795 ILE 117 HG21 -0.0143 -0.0004 0.0182 1796 ILE 117 HG22 -0.0149 0.0130 0.0370 1797 ILE 117 HG23 -0.0332 -0.0070 0.0200 1798 ILE 117 CG1 0.0020 -0.0177 -0.0150 1799 ILE 117 HG11 -0.0090 -0.0265 -0.0208 1800 ILE 117 HG12 -0.0057 -0.0207 -0.0147 1801 ILE 117 CD 0.0255 -0.0183 -0.0292 1802 ILE 117 HD1 0.0338 -0.0162 -0.0311 1803 ILE 117 HD2 0.0365 -0.0097 -0.0237 1804 ILE 117 HD3 0.0236 -0.0298 -0.0440 1805 ILE 117 C -0.0053 0.0132 0.0316 1806 ILE 117 O 0.0101 0.0260 0.0405 1807 ILE 118 N 0.0264 -0.0055 -0.0040 1808 ILE 118 HN 0.0220 -0.0114 -0.0059 1809 ILE 118 CA 0.0158 0.0309 0.0138 1810 ILE 118 HA 0.0236 0.0078 0.0023 1811 ILE 118 CB 0.0071 -0.0028 0.0003 1812 ILE 118 HB 0.0015 -0.0069 -0.0007 1813 ILE 118 CG2 -0.0009 0.0062 0.0055 1814 ILE 118 HG21 -0.0091 0.0019 0.0049 1815 ILE 118 HG22 -0.0041 0.0122 0.0087 1816 ILE 118 HG23 0.0045 0.0110 0.0068 1817 ILE 118 CG1 0.0097 -0.0123 -0.0044 1818 ILE 118 HG11 0.0008 -0.0161 -0.0046 1819 ILE 118 HG12 0.0139 -0.0194 -0.0082 1820 ILE 118 CD 0.0181 -0.0088 -0.0042 1821 ILE 118 HD1 0.0197 -0.0162 -0.0077 1822 ILE 118 HD2 0.0140 -0.0022 -0.0006 1823 ILE 118 HD3 0.0272 -0.0053 -0.0040 1824 ILE 118 C 0.0156 0.0110 0.0050 1825 ILE 118 OT1 0.0115 0.0074 0.0041 1826 ILE 118 OT2 0.0225 0.0039 0.0008