1 ASN 3 N 0.0140 0.0208 -0.0265 2 ASN 3 HN 0.0136 0.0208 -0.0246 3 ASN 3 CA 0.0131 0.0187 -0.0280 4 ASN 3 HA 0.0136 0.0192 -0.0298 5 ASN 3 CB 0.0122 0.0175 -0.0269 6 ASN 3 HB1 0.0115 0.0159 -0.0280 7 ASN 3 HB2 0.0116 0.0171 -0.0250 8 ASN 3 CG 0.0130 0.0189 -0.0269 9 ASN 3 OD1 0.0133 0.0188 -0.0288 10 ASN 3 ND2 0.0133 0.0201 -0.0248 11 ASN 3 HD21 0.0138 0.0210 -0.0248 12 ASN 3 HD22 0.0132 0.0203 -0.0234 13 ASN 3 C 0.0123 0.0172 -0.0283 14 ASN 3 O 0.0123 0.0176 -0.0273 15 ARG 4 N 0.0099 0.0006 -0.0188 16 ARG 4 HN 0.0099 0.0047 -0.0242 17 ARG 4 CA 0.0009 0.0020 -0.0120 18 ARG 4 HA 0.0018 -0.0032 -0.0059 19 ARG 4 CB -0.0055 0.0046 -0.0094 20 ARG 4 HB1 -0.0119 0.0047 -0.0034 21 ARG 4 HB2 -0.0078 0.0107 -0.0153 22 ARG 4 CG -0.0012 -0.0004 -0.0068 23 ARG 4 HG1 -0.0067 0.0022 -0.0050 24 ARG 4 HG2 0.0046 0.0001 -0.0130 25 ARG 4 CD 0.0025 -0.0089 0.0010 26 ARG 4 HD1 0.0082 -0.0116 -0.0009 27 ARG 4 HD2 -0.0032 -0.0096 0.0074 28 ARG 4 NE 0.0059 -0.0126 0.0027 29 ARG 4 HE 0.0035 -0.0092 0.0005 30 ARG 4 CZ 0.0125 -0.0200 0.0063 31 ARG 4 NH1 0.0167 -0.0250 0.0089 32 ARG 4 HH11 0.0158 -0.0230 0.0071 33 ARG 4 HH12 0.0223 -0.0302 0.0106 34 ARG 4 NH2 0.0149 -0.0224 0.0072 35 ARG 4 HH21 0.0199 -0.0279 0.0098 36 ARG 4 HH22 0.0121 -0.0187 0.0049 37 ARG 4 C -0.0044 0.0083 -0.0154 38 ARG 4 O -0.0109 0.0089 -0.0099 39 ALA 5 N 0.0018 0.0063 -0.0117 40 ALA 5 HN 0.0021 0.0069 -0.0116 41 ALA 5 CA 0.0025 0.0065 -0.0116 42 ALA 5 HA 0.0020 0.0060 -0.0117 43 ALA 5 CB 0.0025 0.0079 -0.0116 44 ALA 5 HB1 0.0030 0.0081 -0.0115 45 ALA 5 HB2 0.0016 0.0082 -0.0116 46 ALA 5 HB3 0.0029 0.0084 -0.0115 47 ALA 5 C 0.0038 0.0060 -0.0116 48 ALA 5 O 0.0043 0.0060 -0.0116 49 PHE 6 N -0.0035 0.0038 -0.0100 50 PHE 6 HN -0.0049 0.0023 -0.0110 51 PHE 6 CA -0.0015 0.0024 -0.0071 52 PHE 6 HA 0.0000 0.0044 -0.0061 53 PHE 6 CB -0.0021 -0.0004 -0.0065 54 PHE 6 HB1 -0.0009 -0.0020 -0.0044 55 PHE 6 HB2 -0.0040 -0.0021 -0.0080 56 PHE 6 CG -0.0019 0.0012 -0.0070 57 PHE 6 CD1 -0.0037 0.0023 -0.0096 58 PHE 6 HD1 -0.0054 0.0019 -0.0114 59 PHE 6 CE1 -0.0034 0.0041 -0.0101 60 PHE 6 HE1 -0.0048 0.0050 -0.0121 61 PHE 6 CZ -0.0013 0.0047 -0.0078 62 PHE 6 HZ -0.0010 0.0061 -0.0081 63 PHE 6 CD2 0.0002 0.0018 -0.0047 64 PHE 6 HD2 0.0016 0.0009 -0.0027 65 PHE 6 CE2 0.0006 0.0035 -0.0051 66 PHE 6 HE2 0.0022 0.0040 -0.0034 67 PHE 6 C -0.0007 0.0012 -0.0055 68 PHE 6 O -0.0020 -0.0000 -0.0066 69 LYS 7 N 0.0021 0.0022 -0.0056 70 LYS 7 HN 0.0026 0.0030 -0.0051 71 LYS 7 CA 0.0037 0.0015 -0.0038 72 LYS 7 HA 0.0030 0.0005 -0.0045 73 LYS 7 CB 0.0051 0.0042 -0.0026 74 LYS 7 HB1 0.0041 0.0057 -0.0038 75 LYS 7 HB2 0.0063 0.0035 -0.0013 76 LYS 7 CG 0.0062 0.0061 -0.0016 77 LYS 7 HG1 0.0068 0.0045 -0.0008 78 LYS 7 HG2 0.0051 0.0073 -0.0030 79 LYS 7 CD 0.0080 0.0081 0.0001 80 LYS 7 HD1 0.0075 0.0100 -0.0007 81 LYS 7 HD2 0.0089 0.0068 0.0012 82 LYS 7 CE 0.0095 0.0093 0.0016 83 LYS 7 HE1 0.0110 0.0103 0.0030 84 LYS 7 HE2 0.0100 0.0074 0.0022 85 LYS 7 NZ 0.0087 0.0116 0.0005 86 LYS 7 HZ1 0.0088 0.0136 0.0003 87 LYS 7 HZ2 0.0071 0.0110 -0.0011 88 LYS 7 HZ3 0.0095 0.0118 0.0014 89 LYS 7 C 0.0050 -0.0009 -0.0022 90 LYS 7 O 0.0053 -0.0013 -0.0019 91 SER 8 N 0.0053 -0.0045 0.0049 92 SER 8 HN 0.0050 -0.0040 0.0045 93 SER 8 CA 0.0061 -0.0066 0.0063 94 SER 8 HA 0.0068 -0.0067 0.0070 95 SER 8 CB 0.0046 -0.0090 0.0058 96 SER 8 HB1 0.0036 -0.0091 0.0048 97 SER 8 HB2 0.0053 -0.0106 0.0069 98 SER 8 OG 0.0038 -0.0091 0.0050 99 SER 8 HG1 0.0031 -0.0078 0.0040 100 SER 8 C 0.0076 -0.0064 0.0076 101 SER 8 O 0.0076 -0.0050 0.0072 102 HIS 9 N 0.0106 0.0002 0.0114 103 HIS 9 HN 0.0108 0.0004 0.0129 104 HIS 9 CA 0.0096 0.0000 0.0109 105 HIS 9 HA 0.0096 0.0002 0.0123 106 HIS 9 CB 0.0073 -0.0002 0.0104 107 HIS 9 HB1 0.0064 -0.0004 0.0100 108 HIS 9 HB2 0.0071 -0.0004 0.0091 109 HIS 9 CD2 0.0054 -0.0001 0.0127 110 HIS 9 HD2 0.0053 -0.0002 0.0117 111 HIS 9 CG 0.0062 -0.0001 0.0123 112 HIS 9 NE2 0.0047 0.0001 0.0147 113 HIS 9 HE2 0.0041 0.0002 0.0156 114 HIS 9 ND1 0.0060 0.0001 0.0140 115 HIS 9 HD1 0.0064 0.0002 0.0141 116 HIS 9 CE1 0.0051 0.0003 0.0154 117 HIS 9 HE1 0.0048 0.0005 0.0170 118 HIS 9 C 0.0107 -0.0001 0.0093 119 HIS 9 O 0.0124 0.0001 0.0096 120 HIS 10 N 0.0202 -0.0036 0.0101 121 HIS 10 HN 0.0212 -0.0004 0.0115 122 HIS 10 CA 0.0166 -0.0139 0.0053 123 HIS 10 HA 0.0137 -0.0154 0.0031 124 HIS 10 CB 0.0090 -0.0143 0.0004 125 HIS 10 HB1 0.0060 -0.0221 -0.0034 126 HIS 10 HB2 0.0122 -0.0138 0.0025 127 HIS 10 CD2 -0.0021 0.0024 -0.0024 128 HIS 10 HD2 0.0010 0.0046 0.0001 129 HIS 10 CG 0.0009 -0.0055 -0.0025 130 HIS 10 NE2 -0.0107 0.0072 -0.0067 131 HIS 10 HE2 -0.0150 0.0130 -0.0079 132 HIS 10 ND1 -0.0056 -0.0058 -0.0067 133 HIS 10 HD1 -0.0052 -0.0109 -0.0077 134 HIS 10 CE1 -0.0125 0.0019 -0.0091 135 HIS 10 HE1 -0.0189 0.0038 -0.0126 136 HIS 10 C 0.0243 -0.0231 0.0078 137 HIS 10 O 0.0223 -0.0322 0.0043 138 GLY 11 N 0.0245 -0.0076 0.0146 139 GLY 11 HN 0.0232 -0.0116 0.0147 140 GLY 11 CA 0.0212 -0.0030 0.0120 141 GLY 11 HA1 0.0231 0.0010 0.0122 142 GLY 11 HA2 0.0204 -0.0032 0.0117 143 GLY 11 C 0.0160 -0.0035 0.0095 144 GLY 11 O 0.0129 -0.0001 0.0073 145 HIS 12 N 0.0078 -0.0025 0.0102 146 HIS 12 HN 0.0095 -0.0041 0.0115 147 HIS 12 CA 0.0047 -0.0036 0.0087 148 HIS 12 HA 0.0039 -0.0013 0.0078 149 HIS 12 CB 0.0047 -0.0068 0.0093 150 HIS 12 HB1 0.0023 -0.0079 0.0081 151 HIS 12 HB2 0.0059 -0.0090 0.0104 152 HIS 12 CD2 0.0055 -0.0071 0.0098 153 HIS 12 HD2 0.0035 -0.0089 0.0090 154 HIS 12 CG 0.0064 -0.0060 0.0101 155 HIS 12 NE2 0.0077 -0.0055 0.0108 156 HIS 12 HE2 0.0078 -0.0058 0.0109 157 HIS 12 ND1 0.0092 -0.0037 0.0113 158 HIS 12 HD1 0.0104 -0.0025 0.0117 159 HIS 12 CE1 0.0099 -0.0035 0.0116 160 HIS 12 HE1 0.0119 -0.0018 0.0125 161 HIS 12 C 0.0021 -0.0046 0.0074 162 HIS 12 O 0.0028 -0.0061 0.0081 163 PHE 13 N -0.0029 -0.0040 -0.0002 164 PHE 13 HN -0.0044 -0.0027 -0.0016 165 PHE 13 CA -0.0055 -0.0044 -0.0013 166 PHE 13 HA -0.0032 -0.0043 -0.0002 167 PHE 13 CB -0.0083 -0.0005 -0.0046 168 PHE 13 HB1 -0.0098 -0.0004 -0.0053 169 PHE 13 HB2 -0.0110 -0.0008 -0.0057 170 PHE 13 CG -0.0050 0.0040 -0.0053 171 PHE 13 CD1 -0.0013 0.0054 -0.0042 172 PHE 13 HD1 -0.0007 0.0032 -0.0028 173 PHE 13 CE1 0.0018 0.0095 -0.0047 174 PHE 13 HE1 0.0048 0.0105 -0.0038 175 PHE 13 CZ 0.0012 0.0123 -0.0064 176 PHE 13 HZ 0.0036 0.0155 -0.0069 177 PHE 13 CD2 -0.0057 0.0069 -0.0070 178 PHE 13 HD2 -0.0085 0.0058 -0.0078 179 PHE 13 CE2 -0.0026 0.0110 -0.0076 180 PHE 13 HE2 -0.0030 0.0131 -0.0089 181 PHE 13 C -0.0089 -0.0089 -0.0007 182 PHE 13 O -0.0108 -0.0108 -0.0006 183 LEU 14 N -0.0079 -0.0043 -0.0003 184 LEU 14 HN -0.0076 -0.0040 -0.0003 185 LEU 14 CA -0.0090 -0.0055 -0.0003 186 LEU 14 HA -0.0088 -0.0060 -0.0002 187 LEU 14 CB -0.0088 -0.0068 -0.0000 188 LEU 14 HB1 -0.0097 -0.0077 -0.0001 189 LEU 14 HB2 -0.0091 -0.0063 -0.0002 190 LEU 14 CG -0.0073 -0.0074 0.0005 191 LEU 14 HG -0.0064 -0.0065 0.0005 192 LEU 14 CD1 -0.0072 -0.0087 0.0007 193 LEU 14 HD11 -0.0080 -0.0096 0.0007 194 LEU 14 HD12 -0.0061 -0.0091 0.0011 195 LEU 14 HD13 -0.0075 -0.0083 0.0006 196 LEU 14 CD2 -0.0068 -0.0080 0.0007 197 LEU 14 HD21 -0.0067 -0.0070 0.0005 198 LEU 14 HD22 -0.0057 -0.0085 0.0011 199 LEU 14 HD23 -0.0076 -0.0088 0.0007 200 LEU 14 C -0.0106 -0.0049 -0.0008 201 LEU 14 O -0.0109 -0.0040 -0.0011 202 SER 15 N -0.0136 -0.0063 0.0056 203 SER 15 HN -0.0145 -0.0063 0.0061 204 SER 15 CA -0.0133 -0.0066 0.0047 205 SER 15 HA -0.0122 -0.0064 0.0045 206 SER 15 CB -0.0138 -0.0074 0.0034 207 SER 15 HB1 -0.0136 -0.0077 0.0028 208 SER 15 HB2 -0.0149 -0.0076 0.0036 209 SER 15 OG -0.0131 -0.0075 0.0029 210 SER 15 HG1 -0.0128 -0.0071 0.0036 211 SER 15 C -0.0138 -0.0066 0.0050 212 SER 15 O -0.0148 -0.0065 0.0058 213 ALA 16 N -0.0040 -0.0072 0.0037 214 ALA 16 HN -0.0031 -0.0082 0.0035 215 ALA 16 CA -0.0010 -0.0060 0.0025 216 ALA 16 HA -0.0022 -0.0046 0.0028 217 ALA 16 CB 0.0014 -0.0028 0.0014 218 ALA 16 HB1 -0.0006 -0.0002 0.0018 219 ALA 16 HB2 0.0027 -0.0041 0.0010 220 ALA 16 HB3 0.0037 -0.0016 0.0004 221 ALA 16 C 0.0016 -0.0096 0.0020 222 ALA 16 O 0.0028 -0.0121 0.0018 223 GLU 17 N 0.0116 -0.0106 0.0038 224 GLU 17 HN 0.0062 -0.0026 0.0100 225 GLU 17 CA 0.0109 -0.0175 -0.0016 226 GLU 17 HA 0.0205 -0.0238 -0.0064 227 GLU 17 CB -0.0043 -0.0245 -0.0070 228 GLU 17 HB1 -0.0058 -0.0267 -0.0087 229 GLU 17 HB2 -0.0138 -0.0185 -0.0023 230 GLU 17 CG -0.0057 -0.0367 -0.0165 231 GLU 17 HG1 -0.0049 -0.0353 -0.0154 232 GLU 17 HG2 0.0034 -0.0430 -0.0214 233 GLU 17 CD -0.0211 -0.0424 -0.0209 234 GLU 17 OE1 -0.0286 -0.0477 -0.0251 235 GLU 17 OE2 -0.0271 -0.0402 -0.0192 236 GLU 17 C 0.0122 -0.0092 0.0049 237 GLU 17 O 0.0035 -0.0007 0.0116 238 GLY 18 N 0.0072 -0.0281 -0.0181 239 GLY 18 HN 0.0140 -0.0270 -0.0300 240 GLY 18 CA 0.0059 -0.0351 -0.0238 241 GLY 18 HA1 -0.0051 -0.0498 -0.0200 242 GLY 18 HA2 0.0141 -0.0360 -0.0408 243 GLY 18 C 0.0089 -0.0207 -0.0124 244 GLY 18 O 0.0215 -0.0045 -0.0174 245 GLU 19 N 0.0023 -0.0024 -0.0149 246 GLU 19 HN -0.0077 -0.0053 -0.0183 247 GLU 19 CA 0.0025 0.0046 -0.0007 248 GLU 19 HA 0.0129 0.0073 0.0022 249 GLU 19 CB -0.0097 0.0058 0.0048 250 GLU 19 HB1 -0.0096 0.0112 0.0158 251 GLU 19 HB2 -0.0206 0.0032 0.0022 252 GLU 19 CG -0.0080 0.0037 -0.0000 253 GLU 19 HG1 -0.0083 -0.0017 -0.0109 254 GLU 19 HG2 0.0026 0.0065 0.0031 255 GLU 19 CD -0.0201 0.0051 0.0060 256 GLU 19 OE1 -0.0243 0.0105 0.0179 257 GLU 19 OE2 -0.0252 0.0009 -0.0014 258 GLU 19 C -0.0001 0.0077 0.0062 259 GLU 19 O -0.0024 0.0133 0.0182 260 ALA 20 N 0.0006 0.0102 0.0193 261 ALA 20 HN 0.0012 0.0079 0.0181 262 ALA 20 CA -0.0018 0.0106 0.0176 263 ALA 20 HA -0.0013 0.0122 0.0193 264 ALA 20 CB -0.0056 0.0126 0.0158 265 ALA 20 HB1 -0.0074 0.0132 0.0147 266 ALA 20 HB2 -0.0059 0.0153 0.0176 267 ALA 20 HB3 -0.0062 0.0110 0.0140 268 ALA 20 C -0.0013 0.0071 0.0152 269 ALA 20 O 0.0006 0.0041 0.0145 270 VAL 21 N -0.0048 0.0032 0.0125 271 VAL 21 HN -0.0050 0.0051 0.0113 272 VAL 21 CA -0.0068 0.0006 0.0116 273 VAL 21 HA -0.0064 -0.0013 0.0130 274 VAL 21 CB -0.0080 0.0001 0.0105 275 VAL 21 HB -0.0085 0.0020 0.0089 276 VAL 21 CG1 -0.0099 -0.0028 0.0097 277 VAL 21 HG11 -0.0111 -0.0027 0.0083 278 VAL 21 HG12 -0.0094 -0.0047 0.0113 279 VAL 21 HG13 -0.0107 -0.0032 0.0089 280 VAL 21 CG2 -0.0064 -0.0001 0.0124 281 VAL 21 HG21 -0.0073 -0.0006 0.0116 282 VAL 21 HG22 -0.0057 -0.0018 0.0141 283 VAL 21 HG23 -0.0050 0.0021 0.0128 284 VAL 21 C -0.0082 0.0013 0.0096 285 VAL 21 O -0.0084 0.0037 0.0081 286 LYS 22 N -0.0100 0.0001 0.0104 287 LYS 22 HN -0.0087 -0.0017 0.0103 288 LYS 22 CA -0.0135 -0.0010 0.0100 289 LYS 22 HA -0.0150 0.0014 0.0102 290 LYS 22 CB -0.0130 -0.0036 0.0098 291 LYS 22 HB1 -0.0113 -0.0022 0.0101 292 LYS 22 HB2 -0.0156 -0.0041 0.0095 293 LYS 22 CG -0.0111 -0.0072 0.0095 294 LYS 22 HG1 -0.0132 -0.0092 0.0091 295 LYS 22 HG2 -0.0094 -0.0068 0.0097 296 LYS 22 CD -0.0086 -0.0088 0.0095 297 LYS 22 HD1 -0.0072 -0.0112 0.0094 298 LYS 22 HD2 -0.0065 -0.0068 0.0099 299 LYS 22 CE -0.0106 -0.0102 0.0092 300 LYS 22 HE1 -0.0116 -0.0079 0.0094 301 LYS 22 HE2 -0.0128 -0.0120 0.0088 302 LYS 22 NZ -0.0080 -0.0123 0.0092 303 LYS 22 HZ1 -0.0092 -0.0137 0.0089 304 LYS 22 HZ2 -0.0058 -0.0109 0.0095 305 LYS 22 HZ3 -0.0067 -0.0142 0.0091 306 LYS 22 C -0.0156 -0.0027 0.0097 307 LYS 22 O -0.0141 -0.0041 0.0096 308 THR 23 N -0.0074 -0.0019 0.0075 309 THR 23 HN -0.0063 -0.0016 0.0068 310 THR 23 CA -0.0071 -0.0017 0.0074 311 THR 23 HA -0.0084 -0.0027 0.0076 312 THR 23 CB -0.0054 -0.0023 0.0056 313 THR 23 HB -0.0041 -0.0013 0.0054 314 THR 23 OG1 -0.0058 -0.0041 0.0044 315 THR 23 HG1 -0.0046 -0.0043 0.0033 316 THR 23 CG2 -0.0051 -0.0022 0.0055 317 THR 23 HG21 -0.0040 -0.0027 0.0042 318 THR 23 HG22 -0.0046 -0.0007 0.0063 319 THR 23 HG23 -0.0065 -0.0030 0.0058 320 THR 23 C -0.0067 0.0003 0.0087 321 THR 23 O -0.0057 0.0016 0.0090 322 HIS 24 N -0.0056 -0.0056 0.0099 323 HIS 24 HN -0.0044 -0.0043 0.0102 324 HIS 24 CA -0.0062 -0.0039 0.0079 325 HIS 24 HA -0.0071 -0.0055 0.0082 326 HIS 24 CB -0.0083 -0.0028 0.0049 327 HIS 24 HB1 -0.0075 -0.0013 0.0046 328 HIS 24 HB2 -0.0101 -0.0049 0.0045 329 HIS 24 CD2 -0.0098 0.0013 0.0000 330 HIS 24 HD2 -0.0098 0.0025 -0.0009 331 HIS 24 CG -0.0092 -0.0011 0.0026 332 HIS 24 NE2 -0.0107 0.0018 -0.0013 333 HIS 24 HE2 -0.0115 0.0033 -0.0034 334 HIS 24 ND1 -0.0095 -0.0020 0.0029 335 HIS 24 HD1 -0.0092 -0.0037 0.0046 336 HIS 24 CE1 -0.0105 -0.0002 0.0005 337 HIS 24 HE1 -0.0110 -0.0003 -0.0001 338 HIS 24 C -0.0037 -0.0011 0.0085 339 HIS 24 O -0.0019 0.0006 0.0090 340 HIS 25 N -0.0020 -0.0008 0.0058 341 HIS 25 HN -0.0010 -0.0031 0.0055 342 HIS 25 CA -0.0011 0.0025 0.0095 343 HIS 25 HA -0.0007 0.0031 0.0105 344 HIS 25 CB 0.0020 0.0010 0.0127 345 HIS 25 HB1 0.0039 -0.0017 0.0134 346 HIS 25 HB2 0.0025 0.0037 0.0155 347 HIS 25 CD2 0.0014 0.0014 0.0123 348 HIS 25 HD2 0.0008 0.0047 0.0139 349 HIS 25 CG 0.0019 -0.0005 0.0114 350 HIS 25 NE2 0.0018 -0.0016 0.0105 351 HIS 25 HE2 0.0015 -0.0011 0.0105 352 HIS 25 ND1 0.0026 -0.0048 0.0092 353 HIS 25 HD1 0.0031 -0.0070 0.0083 354 HIS 25 CE1 0.0025 -0.0053 0.0087 355 HIS 25 HE1 0.0030 -0.0082 0.0071 356 HIS 25 C -0.0036 0.0067 0.0092 357 HIS 25 O -0.0037 0.0101 0.0116 358 GLY 26 N -0.0075 0.0142 -0.0114 359 GLY 26 HN -0.0110 0.0115 -0.0110 360 GLY 26 CA -0.0087 0.0189 -0.0147 361 GLY 26 HA1 -0.0060 0.0192 -0.0139 362 GLY 26 HA2 -0.0133 0.0181 -0.0160 363 GLY 26 C -0.0073 0.0242 -0.0176 364 GLY 26 O -0.0072 0.0246 -0.0177 365 HIS 27 N -0.0122 0.0157 -0.0188 366 HIS 27 HN -0.0258 0.0121 -0.0254 367 HIS 27 CA -0.0155 0.0175 0.0061 368 HIS 27 HA -0.0341 0.0137 0.0081 369 HIS 27 CB -0.0015 0.0215 0.0145 370 HIS 27 HB1 -0.0062 0.0224 0.0335 371 HIS 27 HB2 0.0177 0.0256 0.0133 372 HIS 27 CD2 0.0065 0.0202 -0.0152 373 HIS 27 HD2 0.0250 0.0238 -0.0198 374 HIS 27 CG -0.0074 0.0187 -0.0003 375 HIS 27 NE2 -0.0081 0.0160 -0.0249 376 HIS 27 HE2 -0.0039 0.0157 -0.0375 377 HIS 27 ND1 -0.0303 0.0136 -0.0002 378 HIS 27 HD1 -0.0441 0.0116 0.0092 379 HIS 27 CE1 -0.0300 0.0122 -0.0153 380 HIS 27 HE1 -0.0455 0.0083 -0.0198 381 HIS 27 C -0.0109 0.0201 0.0209 382 HIS 27 O 0.0063 0.0233 0.0161 383 HIS 28 N -0.0057 -0.0018 -0.0082 384 HIS 28 HN -0.0117 -0.0074 -0.0093 385 HIS 28 CA 0.0112 -0.0077 -0.0044 386 HIS 28 HA 0.0131 -0.0172 -0.0037 387 HIS 28 CB 0.0141 -0.0177 -0.0035 388 HIS 28 HB1 0.0062 -0.0291 -0.0048 389 HIS 28 HB2 0.0272 -0.0221 -0.0005 390 HIS 28 CD2 -0.0009 -0.0138 -0.0068 391 HIS 28 HD2 -0.0096 -0.0244 -0.0083 392 HIS 28 CG 0.0102 -0.0090 -0.0046 393 HIS 28 NE2 -0.0000 -0.0032 -0.0070 394 HIS 28 HE2 -0.0068 -0.0040 -0.0084 395 HIS 28 ND1 0.0183 0.0050 -0.0033 396 HIS 28 HD1 0.0273 0.0116 -0.0016 397 HIS 28 CE1 0.0116 0.0079 -0.0048 398 HIS 28 HE1 0.0151 0.0188 -0.0044 399 HIS 28 C 0.0256 0.0046 -0.0017 400 HIS 28 O 0.0391 -0.0009 0.0013 401 ASP 29 N -0.0031 0.0043 -0.0230 402 ASP 29 HN -0.0019 0.0057 -0.0262 403 ASP 29 CA -0.0044 0.0033 -0.0195 404 ASP 29 HA -0.0055 0.0054 -0.0161 405 ASP 29 CB -0.0036 0.0053 -0.0214 406 ASP 29 HB1 -0.0046 0.0046 -0.0188 407 ASP 29 HB2 -0.0025 0.0035 -0.0251 408 ASP 29 CG -0.0029 0.0112 -0.0221 409 ASP 29 OD1 -0.0018 0.0132 -0.0248 410 ASP 29 OD2 -0.0034 0.0138 -0.0199 411 ASP 29 C -0.0054 -0.0025 -0.0182 412 ASP 29 O -0.0046 -0.0060 -0.0213 413 HIS 30 N 0.0034 -0.1077 0.0851 414 HIS 30 HN 0.0010 -0.1381 0.0577 415 HIS 30 CA -0.0043 -0.0594 0.0588 416 HIS 30 HA -0.0023 -0.0209 0.0875 417 HIS 30 CB -0.0156 -0.0425 -0.0023 418 HIS 30 HB1 -0.0213 -0.0040 -0.0203 419 HIS 30 HB2 -0.0181 -0.0806 -0.0335 420 HIS 30 CD2 -0.0186 -0.0532 -0.0251 421 HIS 30 HD2 -0.0203 -0.0927 -0.0523 422 HIS 30 CG -0.0164 -0.0261 0.0001 423 HIS 30 NE2 -0.0184 -0.0189 -0.0095 424 HIS 30 HE2 -0.0195 -0.0274 -0.0195 425 HIS 30 ND1 -0.0150 0.0243 0.0300 426 HIS 30 HD1 -0.0134 0.0531 0.0519 427 HIS 30 CE1 -0.0162 0.0270 0.0234 428 HIS 30 HE1 -0.0154 0.0612 0.0429 429 HIS 30 C -0.0044 -0.0773 0.0510 430 HIS 30 O -0.0034 -0.1272 0.0358 431 HIS 31 N -0.0106 -0.0015 -0.0026 432 HIS 31 HN -0.0115 -0.0015 -0.0021 433 HIS 31 CA -0.0102 -0.0022 -0.0043 434 HIS 31 HA -0.0089 -0.0020 -0.0045 435 HIS 31 CB -0.0109 -0.0026 -0.0048 436 HIS 31 HB1 -0.0109 -0.0032 -0.0061 437 HIS 31 HB2 -0.0123 -0.0028 -0.0044 438 HIS 31 CD2 -0.0104 -0.0017 -0.0030 439 HIS 31 HD2 -0.0112 -0.0014 -0.0020 440 HIS 31 CG -0.0101 -0.0022 -0.0043 441 HIS 31 NE2 -0.0093 -0.0015 -0.0032 442 HIS 31 HE2 -0.0092 -0.0011 -0.0024 443 HIS 31 ND1 -0.0089 -0.0024 -0.0053 444 HIS 31 HD1 -0.0085 -0.0027 -0.0063 445 HIS 31 CE1 -0.0085 -0.0019 -0.0046 446 HIS 31 HE1 -0.0075 -0.0019 -0.0050 447 HIS 31 C -0.0109 -0.0028 -0.0052 448 HIS 31 O -0.0121 -0.0029 -0.0048 449 THR 32 N -0.0095 -0.0049 -0.0032 450 THR 32 HN -0.0101 -0.0050 -0.0030 451 THR 32 CA -0.0091 -0.0043 -0.0029 452 THR 32 HA -0.0086 -0.0044 -0.0032 453 THR 32 CB -0.0096 -0.0040 -0.0024 454 THR 32 HB -0.0101 -0.0039 -0.0021 455 THR 32 OG1 -0.0100 -0.0045 -0.0026 456 THR 32 HG1 -0.0100 -0.0049 -0.0030 457 THR 32 CG2 -0.0091 -0.0033 -0.0021 458 THR 32 HG21 -0.0095 -0.0032 -0.0017 459 THR 32 HG22 -0.0088 -0.0029 -0.0019 460 THR 32 HG23 -0.0086 -0.0035 -0.0024 461 THR 32 C -0.0087 -0.0038 -0.0026 462 THR 32 O -0.0090 -0.0036 -0.0023 463 HIS 33 N -0.0063 -0.0012 -0.0020 464 HIS 33 HN -0.0077 -0.0008 -0.0017 465 HIS 33 CA -0.0082 -0.0023 -0.0029 466 HIS 33 HA -0.0066 -0.0022 -0.0028 467 HIS 33 CB -0.0117 -0.0008 -0.0018 468 HIS 33 HB1 -0.0132 -0.0018 -0.0027 469 HIS 33 HB2 -0.0134 -0.0008 -0.0019 470 HIS 33 CD2 -0.0083 0.0037 0.0018 471 HIS 33 HD2 -0.0056 0.0031 0.0014 472 HIS 33 CG -0.0113 0.0022 0.0005 473 HIS 33 NE2 -0.0095 0.0064 0.0038 474 HIS 33 HE2 -0.0080 0.0080 0.0052 475 HIS 33 ND1 -0.0142 0.0038 0.0017 476 HIS 33 HD1 -0.0167 0.0033 0.0012 477 HIS 33 CE1 -0.0131 0.0063 0.0037 478 HIS 33 HE1 -0.0147 0.0082 0.0051 479 HIS 33 C -0.0088 -0.0053 -0.0053 480 HIS 33 O -0.0102 -0.0060 -0.0059 481 PHE 34 N -0.0119 -0.0048 -0.0008 482 PHE 34 HN -0.0115 -0.0047 -0.0008 483 PHE 34 CA -0.0120 -0.0054 -0.0006 484 PHE 34 HA -0.0124 -0.0055 -0.0006 485 PHE 34 CB -0.0116 -0.0057 -0.0004 486 PHE 34 HB1 -0.0116 -0.0061 -0.0002 487 PHE 34 HB2 -0.0111 -0.0056 -0.0004 488 PHE 34 CG -0.0116 -0.0056 -0.0004 489 PHE 34 CD1 -0.0121 -0.0059 -0.0004 490 PHE 34 HD1 -0.0124 -0.0061 -0.0003 491 PHE 34 CE1 -0.0122 -0.0058 -0.0004 492 PHE 34 HE1 -0.0125 -0.0060 -0.0003 493 PHE 34 CZ -0.0118 -0.0056 -0.0005 494 PHE 34 HZ -0.0118 -0.0055 -0.0005 495 PHE 34 CD2 -0.0112 -0.0054 -0.0005 496 PHE 34 HD2 -0.0109 -0.0052 -0.0005 497 PHE 34 CE2 -0.0113 -0.0053 -0.0005 498 PHE 34 HE2 -0.0110 -0.0051 -0.0006 499 PHE 34 C -0.0120 -0.0055 -0.0005 500 PHE 34 O -0.0116 -0.0054 -0.0005 501 HIS 35 N -0.0101 -0.0098 -0.0015 502 HIS 35 HN -0.0090 -0.0086 -0.0011 503 HIS 35 CA -0.0120 -0.0115 -0.0013 504 HIS 35 HA -0.0132 -0.0126 -0.0015 505 HIS 35 CB -0.0126 -0.0112 0.0014 506 HIS 35 HB1 -0.0139 -0.0124 0.0015 507 HIS 35 HB2 -0.0113 -0.0100 0.0018 508 HIS 35 CD2 -0.0118 -0.0095 0.0049 509 HIS 35 HD2 -0.0102 -0.0081 0.0047 510 HIS 35 CG -0.0130 -0.0111 0.0035 511 HIS 35 NE2 -0.0128 -0.0100 0.0068 512 HIS 35 HE2 -0.0123 -0.0092 0.0080 513 HIS 35 ND1 -0.0149 -0.0125 0.0046 514 HIS 35 HD1 -0.0161 -0.0138 0.0041 515 HIS 35 CE1 -0.0147 -0.0118 0.0065 516 HIS 35 HE1 -0.0159 -0.0126 0.0077 517 HIS 35 C -0.0119 -0.0120 -0.0034 518 HIS 35 O -0.0107 -0.0109 -0.0038 519 VAL 36 N -0.0040 -0.0057 0.0060 520 VAL 36 HN -0.0051 -0.0042 0.0073 521 VAL 36 CA -0.0042 -0.0022 0.0055 522 VAL 36 HA -0.0040 -0.0044 0.0057 523 VAL 36 CB -0.0071 0.0017 0.0089 524 VAL 36 HB -0.0074 0.0039 0.0087 525 VAL 36 CG1 -0.0073 0.0055 0.0081 526 VAL 36 HG11 -0.0057 0.0080 0.0051 527 VAL 36 HG12 -0.0069 0.0034 0.0080 528 VAL 36 HG13 -0.0096 0.0080 0.0108 529 VAL 36 CG2 -0.0096 -0.0013 0.0134 530 VAL 36 HG21 -0.0095 -0.0034 0.0137 531 VAL 36 HG22 -0.0096 -0.0040 0.0141 532 VAL 36 HG23 -0.0118 0.0015 0.0159 533 VAL 36 C -0.0017 0.0007 0.0009 534 VAL 36 O -0.0013 0.0030 -0.0003 535 GLU 37 N 0.0039 0.0064 -0.0051 536 GLU 37 HN 0.0014 0.0065 -0.0041 537 GLU 37 CA 0.0105 0.0097 -0.0069 538 GLU 37 HA 0.0130 0.0092 -0.0080 539 GLU 37 CB 0.0144 0.0064 -0.0092 540 GLU 37 HB1 0.0122 0.0072 -0.0081 541 GLU 37 HB2 0.0138 0.0007 -0.0101 542 GLU 37 CG 0.0217 0.0087 -0.0115 543 GLU 37 HG1 0.0238 0.0081 -0.0125 544 GLU 37 HG2 0.0226 0.0141 -0.0107 545 GLU 37 CD 0.0253 0.0042 -0.0139 546 GLU 37 OE1 0.0248 0.0051 -0.0135 547 GLU 37 OE2 0.0283 -0.0006 -0.0161 548 GLU 37 C 0.0102 0.0173 -0.0052 549 GLU 37 O 0.0064 0.0193 -0.0033 550 ASN 38 N 0.0045 -0.0003 -0.0106 551 ASN 38 HN 0.0137 -0.0153 -0.0055 552 ASN 38 CA 0.0043 0.0201 -0.0103 553 ASN 38 HA -0.0114 0.0295 -0.0192 554 ASN 38 CB 0.0048 0.0100 -0.0102 555 ASN 38 HB1 -0.0116 0.0019 -0.0199 556 ASN 38 HB2 0.0075 0.0256 -0.0083 557 ASN 38 CG 0.0226 -0.0101 -0.0003 558 ASN 38 OD1 0.0421 -0.0052 0.0111 559 ASN 38 ND2 0.0159 -0.0339 -0.0047 560 ASN 38 HD21 0.0277 -0.0466 0.0019 561 ASN 38 HD22 0.0000 -0.0375 -0.0140 562 ASN 38 C 0.0211 0.0408 -0.0001 563 ASN 38 O 0.0388 0.0365 0.0101 564 HIS 39 N 0.0114 0.0122 -0.0029 565 HIS 39 HN 0.0095 0.0127 -0.0032 566 HIS 39 CA 0.0131 0.0140 -0.0032 567 HIS 39 HA 0.0149 0.0140 -0.0030 568 HIS 39 CB 0.0135 0.0136 -0.0031 569 HIS 39 HB1 0.0144 0.0153 -0.0035 570 HIS 39 HB2 0.0116 0.0133 -0.0032 571 HIS 39 CD2 0.0147 0.0091 -0.0017 572 HIS 39 HD2 0.0128 0.0081 -0.0016 573 HIS 39 CG 0.0152 0.0115 -0.0023 574 HIS 39 NE2 0.0170 0.0081 -0.0011 575 HIS 39 HE2 0.0173 0.0062 -0.0005 576 HIS 39 ND1 0.0178 0.0120 -0.0021 577 HIS 39 HD1 0.0188 0.0136 -0.0025 578 HIS 39 CE1 0.0188 0.0098 -0.0014 579 HIS 39 HE1 0.0208 0.0095 -0.0011 580 HIS 39 C 0.0120 0.0166 -0.0041 581 HIS 39 O 0.0122 0.0182 -0.0046 582 GLY 40 N -0.0172 -0.0220 -0.0218 583 GLY 40 HN -0.0234 -0.0059 -0.0196 584 GLY 40 CA -0.0114 -0.0381 -0.0244 585 GLY 40 HA1 -0.0114 -0.0554 -0.0309 586 GLY 40 HA2 -0.0224 -0.0330 -0.0292 587 GLY 40 C 0.0101 -0.0369 -0.0110 588 GLY 40 O 0.0157 -0.0185 -0.0007 589 GLY 41 N -0.0478 -0.0299 -0.0443 590 GLY 41 HN -0.0509 -0.0491 -0.0633 591 GLY 41 CA -0.0220 -0.0318 -0.0285 592 GLY 41 HA1 -0.0123 -0.0544 -0.0418 593 GLY 41 HA2 -0.0331 -0.0156 -0.0218 594 GLY 41 C 0.0078 -0.0250 -0.0024 595 GLY 41 O 0.0253 -0.0181 0.0156 596 LYS 42 N 0.0039 -0.0125 -0.0008 597 LYS 42 HN 0.0013 -0.0125 0.0008 598 LYS 42 CA 0.0051 -0.0087 -0.0023 599 LYS 42 HA 0.0078 -0.0086 -0.0039 600 LYS 42 CB 0.0050 -0.0080 -0.0024 601 LYS 42 HB1 0.0051 -0.0048 -0.0031 602 LYS 42 HB2 0.0025 -0.0089 -0.0007 603 LYS 42 CG 0.0082 -0.0103 -0.0037 604 LYS 42 HG1 0.0082 -0.0136 -0.0030 605 LYS 42 HG2 0.0106 -0.0094 -0.0053 606 LYS 42 CD 0.0085 -0.0093 -0.0041 607 LYS 42 HD1 0.0112 -0.0105 -0.0054 608 LYS 42 HD2 0.0084 -0.0060 -0.0048 609 LYS 42 CE 0.0057 -0.0108 -0.0022 610 LYS 42 HE1 0.0060 -0.0098 -0.0026 611 LYS 42 HE2 0.0030 -0.0096 -0.0008 612 LYS 42 NZ 0.0059 -0.0152 -0.0013 613 LYS 42 HZ1 0.0042 -0.0162 -0.0001 614 LYS 42 HZ2 0.0085 -0.0163 -0.0026 615 LYS 42 HZ3 0.0053 -0.0162 -0.0008 616 LYS 42 C 0.0030 -0.0054 -0.0018 617 LYS 42 O -0.0002 -0.0055 0.0001 618 VAL 43 N -0.0006 0.0056 0.0023 619 VAL 43 HN -0.0012 0.0055 0.0029 620 VAL 43 CA -0.0002 0.0047 0.0034 621 VAL 43 HA -0.0001 0.0051 0.0026 622 VAL 43 CB -0.0016 0.0044 0.0052 623 VAL 43 HB -0.0013 0.0038 0.0058 624 VAL 43 CG1 -0.0035 0.0057 0.0048 625 VAL 43 HG11 -0.0046 0.0055 0.0061 626 VAL 43 HG12 -0.0035 0.0063 0.0038 627 VAL 43 HG13 -0.0040 0.0063 0.0042 628 VAL 43 CG2 -0.0017 0.0037 0.0065 629 VAL 43 HG21 -0.0028 0.0035 0.0077 630 VAL 43 HG22 -0.0019 0.0042 0.0058 631 VAL 43 HG23 -0.0003 0.0027 0.0069 632 VAL 43 C 0.0017 0.0035 0.0037 633 VAL 43 O 0.0025 0.0032 0.0035 634 ALA 44 N 0.0018 0.0092 0.0031 635 ALA 44 HN 0.0033 0.0094 0.0022 636 ALA 44 CA 0.0017 0.0062 0.0023 637 ALA 44 HA -0.0001 0.0062 0.0034 638 ALA 44 CB 0.0048 0.0060 0.0004 639 ALA 44 HB1 0.0055 0.0084 0.0007 640 ALA 44 HB2 0.0066 0.0058 -0.0007 641 ALA 44 HB3 0.0047 0.0038 -0.0001 642 ALA 44 C 0.0009 0.0031 0.0020 643 ALA 44 O 0.0018 0.0031 0.0015 644 LEU 45 N -0.0032 0.0013 0.0026 645 LEU 45 HN -0.0031 0.0008 0.0026 646 LEU 45 CA -0.0039 -0.0003 0.0036 647 LEU 45 HA -0.0041 0.0005 0.0038 648 LEU 45 CB -0.0054 -0.0010 0.0053 649 LEU 45 HB1 -0.0059 -0.0023 0.0061 650 LEU 45 HB2 -0.0051 -0.0018 0.0052 651 LEU 45 CG -0.0068 0.0009 0.0064 652 LEU 45 HG -0.0064 0.0023 0.0057 653 LEU 45 CD1 -0.0082 0.0001 0.0079 654 LEU 45 HD11 -0.0092 0.0015 0.0087 655 LEU 45 HD12 -0.0078 -0.0006 0.0077 656 LEU 45 HD13 -0.0087 -0.0013 0.0087 657 LEU 45 CD2 -0.0074 0.0020 0.0067 658 LEU 45 HD21 -0.0073 0.0008 0.0069 659 LEU 45 HD22 -0.0067 0.0034 0.0057 660 LEU 45 HD23 -0.0087 0.0028 0.0079 661 LEU 45 C -0.0026 -0.0023 0.0028 662 LEU 45 O -0.0021 -0.0034 0.0025 663 LYS 46 N -0.0052 -0.0035 -0.0035 664 LYS 46 HN -0.0052 -0.0015 -0.0031 665 LYS 46 CA -0.0026 -0.0086 -0.0063 666 LYS 46 HA -0.0036 -0.0109 -0.0059 667 LYS 46 CB 0.0026 -0.0071 -0.0103 668 LYS 46 HB1 0.0034 -0.0036 -0.0104 669 LYS 46 HB2 0.0043 -0.0110 -0.0123 670 LYS 46 CG 0.0049 -0.0050 -0.0118 671 LYS 46 HG1 0.0045 -0.0086 -0.0120 672 LYS 46 HG2 0.0031 -0.0013 -0.0098 673 LYS 46 CD 0.0100 -0.0030 -0.0156 674 LYS 46 HD1 0.0101 0.0009 -0.0151 675 LYS 46 HD2 0.0115 -0.0066 -0.0174 676 LYS 46 CE 0.0128 -0.0016 -0.0177 677 LYS 46 HE1 0.0129 -0.0056 -0.0184 678 LYS 46 HE2 0.0113 0.0018 -0.0159 679 LYS 46 NZ 0.0175 0.0006 -0.0211 680 LYS 46 HZ1 0.0175 0.0051 -0.0204 681 LYS 46 HZ2 0.0199 0.0004 -0.0231 682 LYS 46 HZ3 0.0186 -0.0015 -0.0223 683 LYS 46 C -0.0041 -0.0129 -0.0058 684 LYS 46 O -0.0057 -0.0115 -0.0042 685 THR 47 N -0.0023 -0.0051 -0.0060 686 THR 47 HN -0.0003 -0.0042 -0.0062 687 THR 47 CA -0.0027 -0.0064 -0.0033 688 THR 47 HA -0.0044 -0.0069 -0.0039 689 THR 47 CB 0.0001 -0.0058 -0.0021 690 THR 47 HB -0.0004 -0.0068 -0.0003 691 THR 47 OG1 0.0025 -0.0053 -0.0009 692 THR 47 HG1 0.0041 -0.0048 -0.0005 693 THR 47 CG2 0.0011 -0.0044 -0.0044 694 THR 47 HG21 0.0018 -0.0033 -0.0061 695 THR 47 HG22 0.0030 -0.0040 -0.0035 696 THR 47 HG23 -0.0007 -0.0047 -0.0054 697 THR 47 C -0.0036 -0.0078 -0.0010 698 THR 47 O -0.0036 -0.0077 -0.0012 699 HIS 48 N -0.0079 -0.0077 -0.0003 700 HIS 48 HN -0.0083 -0.0074 -0.0017 701 HIS 48 CA -0.0081 -0.0105 0.0042 702 HIS 48 HA -0.0101 -0.0128 0.0041 703 HIS 48 CB -0.0091 -0.0123 0.0054 704 HIS 48 HB1 -0.0117 -0.0138 0.0029 705 HIS 48 HB2 -0.0094 -0.0146 0.0089 706 HIS 48 CD2 -0.0044 -0.0091 0.0091 707 HIS 48 HD2 -0.0041 -0.0108 0.0127 708 HIS 48 CG -0.0065 -0.0095 0.0055 709 HIS 48 NE2 -0.0027 -0.0061 0.0072 710 HIS 48 HE2 -0.0010 -0.0052 0.0088 711 HIS 48 ND1 -0.0062 -0.0068 0.0014 712 HIS 48 HD1 -0.0074 -0.0064 -0.0018 713 HIS 48 CE1 -0.0038 -0.0048 0.0026 714 HIS 48 HE1 -0.0029 -0.0025 0.0002 715 HIS 48 C -0.0047 -0.0089 0.0080 716 HIS 48 O -0.0047 -0.0108 0.0114 717 CYS 49 N -0.0131 -0.0043 0.0158 718 CYS 49 HN -0.0032 -0.0017 0.0042 719 CYS 49 CA -0.0121 0.0043 0.0287 720 CYS 49 HA -0.0214 0.0040 0.0431 721 CYS 49 CB 0.0052 0.0220 0.0301 722 CYS 49 HB1 0.0144 0.0222 0.0156 723 CYS 49 HB2 0.0075 0.0264 0.0337 724 CYS 49 SG 0.0076 0.0353 0.0486 725 CYS 49 HG1 -0.0003 0.0249 0.0440 726 CYS 49 C -0.0153 -0.0035 0.0207 727 CYS 49 O -0.0148 0.0020 0.0291 728 GLY 50 N 0.0022 -0.0137 -0.0121 729 GLY 50 HN -0.0000 -0.0131 -0.0103 730 GLY 50 CA 0.0020 -0.0123 -0.0169 731 GLY 50 HA1 0.0025 -0.0122 -0.0182 732 GLY 50 HA2 -0.0010 -0.0106 -0.0174 733 GLY 50 C 0.0051 -0.0131 -0.0195 734 GLY 50 O 0.0061 -0.0125 -0.0236 735 LYS 51 N 0.0092 -0.0021 -0.0144 736 LYS 51 HN 0.0097 -0.0010 -0.0129 737 LYS 51 CA 0.0112 -0.0037 -0.0156 738 LYS 51 HA 0.0107 -0.0045 -0.0169 739 LYS 51 CB 0.0137 -0.0034 -0.0141 740 LYS 51 HB1 0.0152 -0.0047 -0.0151 741 LYS 51 HB2 0.0145 -0.0027 -0.0129 742 LYS 51 CG 0.0133 -0.0023 -0.0128 743 LYS 51 HG1 0.0151 -0.0020 -0.0116 744 LYS 51 HG2 0.0117 -0.0011 -0.0120 745 LYS 51 CD 0.0128 -0.0032 -0.0143 746 LYS 51 HD1 0.0111 -0.0037 -0.0157 747 LYS 51 HD2 0.0145 -0.0044 -0.0151 748 LYS 51 CE 0.0123 -0.0021 -0.0131 749 LYS 51 HE1 0.0138 -0.0015 -0.0115 750 LYS 51 HE2 0.0104 -0.0011 -0.0126 751 LYS 51 NZ 0.0124 -0.0031 -0.0144 752 LYS 51 HZ1 0.0118 -0.0023 -0.0136 753 LYS 51 HZ2 0.0142 -0.0040 -0.0147 754 LYS 51 HZ3 0.0111 -0.0038 -0.0159 755 LYS 51 C 0.0118 -0.0046 -0.0166 756 LYS 51 O 0.0119 -0.0038 -0.0155 757 TYR 52 N 0.0042 -0.0097 -0.0122 758 TYR 52 HN 0.0043 -0.0104 -0.0129 759 TYR 52 CA 0.0040 -0.0076 -0.0098 760 TYR 52 HA 0.0046 -0.0067 -0.0095 761 TYR 52 CB 0.0054 -0.0058 -0.0096 762 TYR 52 HB1 0.0049 -0.0044 -0.0076 763 TYR 52 HB2 0.0051 -0.0068 -0.0103 764 TYR 52 CG 0.0079 -0.0043 -0.0111 765 TYR 52 CD1 0.0092 -0.0054 -0.0137 766 TYR 52 HD1 0.0084 -0.0073 -0.0147 767 TYR 52 CE1 0.0116 -0.0041 -0.0151 768 TYR 52 HE1 0.0125 -0.0049 -0.0171 769 TYR 52 CZ 0.0127 -0.0016 -0.0139 770 TYR 52 OH 0.0150 -0.0002 -0.0153 771 TYR 52 HH 0.0155 0.0015 -0.0141 772 TYR 52 CD2 0.0091 -0.0018 -0.0099 773 TYR 52 HD2 0.0081 -0.0009 -0.0079 774 TYR 52 CE2 0.0114 -0.0004 -0.0113 775 TYR 52 HE2 0.0123 0.0015 -0.0103 776 TYR 52 C 0.0015 -0.0084 -0.0077 777 TYR 52 O 0.0002 -0.0100 -0.0078 778 LEU 53 N -0.0006 -0.0004 0.0042 779 LEU 53 HN -0.0001 0.0001 0.0042 780 LEU 53 CA -0.0027 -0.0003 0.0053 781 LEU 53 HA -0.0034 -0.0017 0.0050 782 LEU 53 CB -0.0040 -0.0001 0.0061 783 LEU 53 HB1 -0.0054 0.0003 0.0070 784 LEU 53 HB2 -0.0032 0.0011 0.0063 785 LEU 53 CG -0.0047 -0.0021 0.0054 786 LEU 53 HG -0.0052 -0.0034 0.0051 787 LEU 53 CD1 -0.0029 -0.0028 0.0042 788 LEU 53 HD11 -0.0035 -0.0042 0.0038 789 LEU 53 HD12 -0.0017 -0.0031 0.0034 790 LEU 53 HD13 -0.0023 -0.0016 0.0045 791 LEU 53 CD2 -0.0064 -0.0020 0.0064 792 LEU 53 HD21 -0.0077 -0.0016 0.0072 793 LEU 53 HD22 -0.0069 -0.0035 0.0059 794 LEU 53 HD23 -0.0059 -0.0008 0.0067 795 LEU 53 C -0.0027 0.0014 0.0062 796 LEU 53 O -0.0016 0.0031 0.0065 797 SER 54 N -0.0024 0.0041 0.0131 798 SER 54 HN -0.0029 0.0037 0.0128 799 SER 54 CA -0.0028 0.0037 0.0140 800 SER 54 HA -0.0022 0.0042 0.0145 801 SER 54 CB -0.0035 0.0032 0.0133 802 SER 54 HB1 -0.0041 0.0026 0.0128 803 SER 54 HB2 -0.0031 0.0035 0.0126 804 SER 54 OG -0.0038 0.0028 0.0142 805 SER 54 HG1 -0.0033 0.0033 0.0144 806 SER 54 C -0.0034 0.0032 0.0149 807 SER 54 O -0.0037 0.0029 0.0146 808 ILE 55 N -0.0015 0.0026 0.0170 809 ILE 55 HN -0.0028 0.0011 0.0165 810 ILE 55 CA 0.0009 0.0043 0.0140 811 ILE 55 HA 0.0018 0.0055 0.0147 812 ILE 55 CB 0.0004 0.0024 0.0100 813 ILE 55 HB -0.0001 0.0014 0.0088 814 ILE 55 CG2 -0.0021 -0.0003 0.0103 815 ILE 55 HG21 -0.0018 0.0005 0.0117 816 ILE 55 HG22 -0.0040 -0.0018 0.0120 817 ILE 55 HG23 -0.0025 -0.0016 0.0074 818 ILE 55 CG1 0.0029 0.0041 0.0070 819 ILE 55 HG11 0.0044 0.0055 0.0060 820 ILE 55 HG12 0.0022 0.0024 0.0044 821 ILE 55 CD 0.0043 0.0061 0.0085 822 ILE 55 HD1 0.0053 0.0080 0.0108 823 ILE 55 HD2 0.0028 0.0049 0.0097 824 ILE 55 HD3 0.0059 0.0071 0.0062 825 ILE 55 C 0.0031 0.0067 0.0141 826 ILE 55 O 0.0054 0.0084 0.0118 827 GLY 56 N 0.0045 0.0021 0.0220 828 GLY 56 HN 0.0008 0.0040 0.0220 829 GLY 56 CA 0.0055 -0.0004 0.0202 830 GLY 56 HA1 0.0069 0.0015 0.0226 831 GLY 56 HA2 0.0018 -0.0008 0.0179 832 GLY 56 C 0.0094 -0.0048 0.0180 833 GLY 56 O 0.0096 -0.0073 0.0158 834 ASP 57 N 0.0376 0.0097 0.0171 835 ASP 57 HN 0.0299 0.0146 0.0044 836 ASP 57 CA 0.0299 -0.0079 0.0301 837 ASP 57 HA 0.0334 -0.0143 0.0407 838 ASP 57 CB 0.0080 -0.0166 0.0200 839 ASP 57 HB1 0.0015 -0.0301 0.0294 840 ASP 57 HB2 0.0043 -0.0100 0.0090 841 ASP 57 CG -0.0015 -0.0163 0.0109 842 ASP 57 OD1 0.0078 -0.0123 0.0148 843 ASP 57 OD2 -0.0186 -0.0209 0.0003 844 ASP 57 C 0.0371 -0.0100 0.0392 845 ASP 57 O 0.0296 -0.0236 0.0479 846 HIS 58 N 0.0788 0.0473 0.0020 847 HIS 58 HN 0.0981 0.0452 -0.0033 848 HIS 58 CA 0.0400 0.0295 -0.0005 849 HIS 58 HA 0.0193 0.0457 0.0136 850 HIS 58 CB 0.0356 -0.0040 -0.0196 851 HIS 58 HB1 0.0603 -0.0186 -0.0336 852 HIS 58 HB2 0.0379 0.0029 -0.0160 853 HIS 58 CD2 -0.0058 -0.0615 -0.0454 854 HIS 58 HD2 0.0162 -0.0787 -0.0604 855 HIS 58 CG -0.0012 -0.0277 -0.0261 856 HIS 58 NE2 -0.0451 -0.0710 -0.0429 857 HIS 58 HE2 -0.0584 -0.0945 -0.0542 858 HIS 58 ND1 -0.0371 -0.0157 -0.0114 859 HIS 58 HD1 -0.0425 0.0080 0.0039 860 HIS 58 CE1 -0.0627 -0.0425 -0.0221 861 HIS 58 HE1 -0.0938 -0.0424 -0.0155 862 HIS 58 C 0.0288 0.0226 -0.0023 863 HIS 58 O 0.0521 0.0277 -0.0041 864 LYS 59 N 0.0085 0.0141 0.0084 865 LYS 59 HN 0.0066 0.0165 0.0081 866 LYS 59 CA 0.0136 0.0134 0.0048 867 LYS 59 HA 0.0156 0.0094 0.0062 868 LYS 59 CB 0.0153 0.0155 0.0018 869 LYS 59 HB1 0.0191 0.0152 -0.0011 870 LYS 59 HB2 0.0131 0.0195 0.0005 871 LYS 59 CG 0.0151 0.0131 0.0038 872 LYS 59 HG1 0.0167 0.0147 0.0013 873 LYS 59 HG2 0.0112 0.0142 0.0061 874 LYS 59 CD 0.0174 0.0074 0.0063 875 LYS 59 HD1 0.0174 0.0062 0.0073 876 LYS 59 HD2 0.0151 0.0060 0.0092 877 LYS 59 CE 0.0226 0.0050 0.0039 878 LYS 59 HE1 0.0239 0.0010 0.0060 879 LYS 59 HE2 0.0227 0.0059 0.0032 880 LYS 59 NZ 0.0260 0.0068 -0.0002 881 LYS 59 HZ1 0.0259 0.0064 0.0002 882 LYS 59 HZ2 0.0250 0.0105 -0.0023 883 LYS 59 HZ3 0.0295 0.0049 -0.0016 884 LYS 59 C 0.0151 0.0153 0.0021 885 LYS 59 O 0.0191 0.0131 0.0006 886 GLN 60 N 0.0090 0.0218 -0.0038 887 GLN 60 HN 0.0078 0.0251 -0.0018 888 GLN 60 CA 0.0081 0.0240 -0.0023 889 GLN 60 HA 0.0108 0.0217 -0.0059 890 GLN 60 CB 0.0085 0.0330 -0.0012 891 GLN 60 HB1 0.0080 0.0342 -0.0005 892 GLN 60 HB2 0.0052 0.0353 0.0030 893 GLN 60 CG 0.0136 0.0377 -0.0065 894 GLN 60 HG1 0.0139 0.0439 -0.0059 895 GLN 60 HG2 0.0135 0.0381 -0.0064 896 GLN 60 CD 0.0184 0.0341 -0.0129 897 GLN 60 OE1 0.0206 0.0305 -0.0161 898 GLN 60 NE2 0.0202 0.0352 -0.0149 899 GLN 60 HE21 0.0183 0.0378 -0.0121 900 GLN 60 HE22 0.0235 0.0335 -0.0192 901 GLN 60 C 0.0028 0.0202 0.0034 902 GLN 60 O -0.0008 0.0199 0.0077 903 VAL 61 N 0.0001 0.0106 0.0072 904 VAL 61 HN 0.0002 0.0101 0.0053 905 VAL 61 CA -0.0010 0.0078 0.0100 906 VAL 61 HA -0.0012 0.0070 0.0098 907 VAL 61 CB -0.0018 0.0045 0.0090 908 VAL 61 HB -0.0015 0.0054 0.0087 909 VAL 61 CG1 -0.0030 0.0017 0.0121 910 VAL 61 HG11 -0.0033 0.0008 0.0126 911 VAL 61 HG12 -0.0035 -0.0008 0.0111 912 VAL 61 HG13 -0.0031 0.0027 0.0147 913 VAL 61 CG2 -0.0017 0.0028 0.0053 914 VAL 61 HG21 -0.0023 0.0003 0.0046 915 VAL 61 HG22 -0.0020 0.0020 0.0055 916 VAL 61 HG23 -0.0009 0.0046 0.0030 917 VAL 61 C -0.0012 0.0092 0.0139 918 VAL 61 O -0.0009 0.0111 0.0148 919 TYR 62 N 0.0028 0.0065 0.0128 920 TYR 62 HN 0.0030 0.0058 0.0131 921 TYR 62 CA 0.0013 0.0068 0.0122 922 TYR 62 HA 0.0012 0.0073 0.0120 923 TYR 62 CB 0.0004 0.0054 0.0123 924 TYR 62 HB1 0.0002 0.0049 0.0124 925 TYR 62 HB2 0.0009 0.0045 0.0127 926 TYR 62 CG -0.0011 0.0056 0.0118 927 TYR 62 CD1 -0.0023 0.0057 0.0113 928 TYR 62 HD1 -0.0022 0.0057 0.0113 929 TYR 62 CE1 -0.0036 0.0059 0.0108 930 TYR 62 HE1 -0.0046 0.0061 0.0104 931 TYR 62 CZ -0.0037 0.0060 0.0107 932 TYR 62 OH -0.0050 0.0063 0.0102 933 TYR 62 HH -0.0048 0.0068 0.0101 934 TYR 62 CD2 -0.0012 0.0056 0.0117 935 TYR 62 HD2 -0.0003 0.0055 0.0120 936 TYR 62 CE2 -0.0025 0.0059 0.0112 937 TYR 62 HE2 -0.0026 0.0059 0.0111 938 TYR 62 C 0.0010 0.0079 0.0118 939 TYR 62 O 0.0015 0.0079 0.0120 940 LEU 63 N 0.0035 -0.0000 0.0039 941 LEU 63 HN 0.0027 -0.0013 0.0035 942 LEU 63 CA 0.0054 0.0000 0.0025 943 LEU 63 HA 0.0061 0.0015 0.0031 944 LEU 63 CB 0.0050 -0.0018 0.0014 945 LEU 63 HB1 0.0049 -0.0033 0.0003 946 LEU 63 HB2 0.0035 -0.0021 0.0023 947 LEU 63 CG 0.0067 -0.0014 0.0004 948 LEU 63 HG 0.0083 -0.0007 -0.0002 949 LEU 63 CD1 0.0065 0.0002 0.0018 950 LEU 63 HD11 0.0050 -0.0004 0.0025 951 LEU 63 HD12 0.0078 0.0005 0.0011 952 LEU 63 HD13 0.0067 0.0017 0.0028 953 LEU 63 CD2 0.0065 -0.0035 -0.0010 954 LEU 63 HD21 0.0077 -0.0032 -0.0016 955 LEU 63 HD22 0.0049 -0.0043 -0.0004 956 LEU 63 HD23 0.0069 -0.0045 -0.0021 957 LEU 63 C 0.0069 -0.0000 0.0014 958 LEU 63 O 0.0064 -0.0015 0.0006 959 SER 64 N 0.0026 -0.0047 -0.0036 960 SER 64 HN 0.0033 -0.0023 -0.0024 961 SER 64 CA 0.0019 -0.0057 -0.0068 962 SER 64 HA 0.0011 -0.0086 -0.0073 963 SER 64 CB 0.0022 -0.0048 -0.0059 964 SER 64 HB1 0.0030 -0.0020 -0.0051 965 SER 64 HB2 0.0021 -0.0067 -0.0035 966 SER 64 OG 0.0016 -0.0055 -0.0090 967 SER 64 HG1 0.0019 -0.0033 -0.0106 968 SER 64 C 0.0019 -0.0035 -0.0103 969 SER 64 O 0.0027 -0.0004 -0.0103 970 HIS 65 N 0.0163 -0.0068 -0.0307 971 HIS 65 HN 0.0176 -0.0062 -0.0315 972 HIS 65 CA 0.0049 -0.0062 -0.0221 973 HIS 65 HA 0.0052 -0.0043 -0.0215 974 HIS 65 CB -0.0001 0.0049 -0.0145 975 HIS 65 HB1 -0.0008 0.0030 -0.0146 976 HIS 65 HB2 0.0057 0.0148 -0.0154 977 HIS 65 CD2 -0.0219 0.0026 0.0011 978 HIS 65 HD2 -0.0241 -0.0011 0.0014 979 HIS 65 CG -0.0117 0.0057 -0.0055 980 HIS 65 NE2 -0.0298 0.0048 0.0077 981 HIS 65 HE2 -0.0382 0.0030 0.0134 982 HIS 65 ND1 -0.0128 0.0100 -0.0032 983 HIS 65 HD1 -0.0066 0.0131 -0.0067 984 HIS 65 CE1 -0.0239 0.0092 0.0048 985 HIS 65 HE1 -0.0281 0.0113 0.0086 986 HIS 65 C -0.0027 -0.0198 -0.0210 987 HIS 65 O -0.0047 -0.0243 -0.0211 988 HIS 66 N -0.0019 -0.0070 -0.0294 989 HIS 66 HN -0.0014 -0.0092 -0.0319 990 HIS 66 CA -0.0039 -0.0243 -0.0262 991 HIS 66 HA -0.0043 -0.0358 -0.0274 992 HIS 66 CB -0.0095 -0.0253 -0.0063 993 HIS 66 HB1 -0.0109 -0.0394 -0.0043 994 HIS 66 HB2 -0.0094 -0.0138 -0.0039 995 HIS 66 CD2 -0.0179 -0.0164 0.0259 996 HIS 66 HD2 -0.0194 -0.0096 0.0329 997 HIS 66 CG -0.0135 -0.0240 0.0085 998 HIS 66 NE2 -0.0202 -0.0193 0.0337 999 HIS 66 HE2 -0.0237 -0.0166 0.0468 1000 HIS 66 ND1 -0.0131 -0.0316 0.0052 1001 HIS 66 HD1 -0.0102 -0.0382 -0.0064 1002 HIS 66 CE1 -0.0172 -0.0285 0.0207 1003 HIS 66 HE1 -0.0180 -0.0328 0.0228 1004 HIS 66 C 0.0001 -0.0288 -0.0414 1005 HIS 66 O 0.0043 -0.0179 -0.0543 1006 LEU 67 N 0.0067 -0.0110 -0.0201 1007 LEU 67 HN 0.0111 -0.0089 -0.0224 1008 LEU 67 CA 0.0045 -0.0076 -0.0133 1009 LEU 67 HA 0.0011 -0.0094 -0.0118 1010 LEU 67 CB 0.0094 -0.0017 -0.0112 1011 LEU 67 HB1 0.0131 0.0003 -0.0127 1012 LEU 67 HB2 0.0113 -0.0020 -0.0137 1013 LEU 67 CG 0.0074 0.0021 -0.0041 1014 LEU 67 HG 0.0067 0.0034 -0.0016 1015 LEU 67 CD1 0.0016 -0.0007 -0.0012 1016 LEU 67 HD11 -0.0023 -0.0040 -0.0011 1017 LEU 67 HD12 0.0018 -0.0026 -0.0039 1018 LEU 67 HD13 0.0007 0.0023 0.0036 1019 LEU 67 CD2 0.0123 0.0072 -0.0030 1020 LEU 67 HD21 0.0111 0.0100 0.0020 1021 LEU 67 HD22 0.0130 0.0060 -0.0053 1022 LEU 67 HD23 0.0166 0.0094 -0.0049 1023 LEU 67 C 0.0013 -0.0080 -0.0102 1024 LEU 67 O 0.0040 -0.0058 -0.0104 1025 HIS 68 N -0.0042 0.0033 -0.0050 1026 HIS 68 HN -0.0051 0.0023 -0.0039 1027 HIS 68 CA -0.0050 0.0024 -0.0041 1028 HIS 68 HA -0.0040 0.0016 -0.0062 1029 HIS 68 CB -0.0069 -0.0006 -0.0021 1030 HIS 68 HB1 -0.0080 0.0001 0.0001 1031 HIS 68 HB2 -0.0067 -0.0028 -0.0035 1032 HIS 68 CD2 -0.0094 -0.0027 0.0013 1033 HIS 68 HD2 -0.0106 -0.0025 0.0035 1034 HIS 68 CG -0.0076 -0.0019 -0.0014 1035 HIS 68 NE2 -0.0092 -0.0037 0.0006 1036 HIS 68 HE2 -0.0102 -0.0041 0.0021 1037 HIS 68 ND1 -0.0064 -0.0023 -0.0038 1038 HIS 68 HD1 -0.0050 -0.0019 -0.0060 1039 HIS 68 CE1 -0.0074 -0.0034 -0.0025 1040 HIS 68 HE1 -0.0069 -0.0040 -0.0036 1041 HIS 68 C -0.0051 0.0055 -0.0025 1042 HIS 68 O -0.0055 0.0078 -0.0007 1043 GLY 69 N -0.0125 0.0069 0.0043 1044 GLY 69 HN -0.0135 0.0072 0.0043 1045 GLY 69 CA -0.0118 0.0075 0.0062 1046 GLY 69 HA1 -0.0122 0.0081 0.0075 1047 GLY 69 HA2 -0.0101 0.0071 0.0063 1048 GLY 69 C -0.0130 0.0080 0.0066 1049 GLY 69 O -0.0120 0.0080 0.0073 1050 ASP 70 N -0.0095 0.0108 -0.0148 1051 ASP 70 HN 0.0012 0.0038 -0.0132 1052 ASP 70 CA -0.0086 0.0092 -0.0099 1053 ASP 70 HA -0.0146 0.0154 -0.0210 1054 ASP 70 CB 0.0101 -0.0023 -0.0103 1055 ASP 70 HB1 0.0109 -0.0030 -0.0093 1056 ASP 70 HB2 0.0165 -0.0089 0.0018 1057 ASP 70 CG 0.0198 -0.0041 -0.0299 1058 ASP 70 OD1 0.0156 0.0019 -0.0452 1059 ASP 70 OD2 0.0309 -0.0110 -0.0296 1060 ASP 70 C -0.0182 0.0108 0.0102 1061 ASP 70 O -0.0201 0.0091 0.0234 1062 HIS 71 N -0.0022 0.0071 0.0105 1063 HIS 71 HN -0.0018 0.0065 0.0089 1064 HIS 71 CA -0.0032 0.0084 0.0155 1065 HIS 71 HA -0.0047 0.0106 0.0154 1066 HIS 71 CB -0.0010 0.0049 0.0188 1067 HIS 71 HB1 -0.0018 0.0060 0.0225 1068 HIS 71 HB2 0.0007 0.0024 0.0190 1069 HIS 71 CD2 0.0027 -0.0004 0.0151 1070 HIS 71 HD2 0.0045 -0.0031 0.0149 1071 HIS 71 CG 0.0002 0.0033 0.0168 1072 HIS 71 NE2 0.0027 -0.0003 0.0136 1073 HIS 71 HE2 0.0042 -0.0026 0.0121 1074 HIS 71 ND1 -0.0015 0.0058 0.0164 1075 HIS 71 HD1 -0.0035 0.0087 0.0173 1076 HIS 71 CE1 0.0001 0.0035 0.0145 1077 HIS 71 HE1 -0.0006 0.0045 0.0136 1078 HIS 71 C -0.0047 0.0105 0.0180 1079 HIS 71 O -0.0038 0.0090 0.0216 1080 SER 72 N -0.0081 0.0091 0.0124 1081 SER 72 HN -0.0071 0.0102 0.0133 1082 SER 72 CA -0.0068 0.0081 0.0104 1083 SER 72 HA -0.0080 0.0072 0.0098 1084 SER 72 CB -0.0057 0.0073 0.0085 1085 SER 72 HB1 -0.0049 0.0065 0.0069 1086 SER 72 HB2 -0.0042 0.0083 0.0089 1087 SER 72 OG -0.0076 0.0061 0.0081 1088 SER 72 HG1 -0.0079 0.0068 0.0093 1089 SER 72 C -0.0045 0.0094 0.0106 1090 SER 72 O -0.0031 0.0088 0.0090 1091 LEU 73 N -0.0006 0.0055 0.0075 1092 LEU 73 HN -0.0012 0.0062 0.0078 1093 LEU 73 CA -0.0001 0.0054 0.0075 1094 LEU 73 HA 0.0005 0.0046 0.0071 1095 LEU 73 CB 0.0007 0.0064 0.0083 1096 LEU 73 HB1 0.0012 0.0061 0.0083 1097 LEU 73 HB2 -0.0000 0.0072 0.0087 1098 LEU 73 CG 0.0017 0.0067 0.0087 1099 LEU 73 HG 0.0012 0.0070 0.0088 1100 LEU 73 CD1 0.0024 0.0077 0.0095 1101 LEU 73 HD11 0.0031 0.0080 0.0099 1102 LEU 73 HD12 0.0016 0.0085 0.0099 1103 LEU 73 HD13 0.0029 0.0075 0.0095 1104 LEU 73 CD2 0.0028 0.0057 0.0083 1105 LEU 73 HD21 0.0024 0.0050 0.0078 1106 LEU 73 HD22 0.0036 0.0060 0.0087 1107 LEU 73 HD23 0.0033 0.0054 0.0083 1108 LEU 73 C -0.0013 0.0053 0.0072 1109 LEU 73 O -0.0023 0.0060 0.0075 1110 PHE 74 N -0.0016 -0.0011 0.0074 1111 PHE 74 HN -0.0016 -0.0014 0.0077 1112 PHE 74 CA -0.0012 -0.0012 0.0063 1113 PHE 74 HA -0.0012 -0.0008 0.0060 1114 PHE 74 CB -0.0012 -0.0006 0.0058 1115 PHE 74 HB1 -0.0008 -0.0007 0.0050 1116 PHE 74 HB2 -0.0012 -0.0009 0.0062 1117 PHE 74 CG -0.0015 0.0005 0.0059 1118 PHE 74 CD1 -0.0019 0.0010 0.0067 1119 PHE 74 HD1 -0.0020 0.0005 0.0073 1120 PHE 74 CE1 -0.0022 0.0020 0.0068 1121 PHE 74 HE1 -0.0025 0.0023 0.0074 1122 PHE 74 CZ -0.0021 0.0026 0.0060 1123 PHE 74 HZ -0.0023 0.0035 0.0060 1124 PHE 74 CD2 -0.0014 0.0012 0.0051 1125 PHE 74 HD2 -0.0011 0.0008 0.0045 1126 PHE 74 CE2 -0.0017 0.0022 0.0052 1127 PHE 74 HE2 -0.0016 0.0027 0.0046 1128 PHE 74 C -0.0008 -0.0022 0.0060 1129 PHE 74 O -0.0008 -0.0030 0.0065 1130 HIS 75 N 0.0013 -0.0032 0.0009 1131 HIS 75 HN 0.0039 0.0002 -0.0012 1132 HIS 75 CA 0.0014 -0.0088 -0.0023 1133 HIS 75 HA -0.0016 -0.0119 0.0004 1134 HIS 75 CB 0.0031 -0.0124 -0.0066 1135 HIS 75 HB1 0.0062 -0.0092 -0.0094 1136 HIS 75 HB2 0.0011 -0.0137 -0.0044 1137 HIS 75 CD2 0.0025 -0.0216 -0.0105 1138 HIS 75 HD2 0.0012 -0.0207 -0.0081 1139 HIS 75 CG 0.0035 -0.0184 -0.0103 1140 HIS 75 NE2 0.0036 -0.0267 -0.0147 1141 HIS 75 HE2 0.0034 -0.0299 -0.0162 1142 HIS 75 ND1 0.0050 -0.0216 -0.0142 1143 HIS 75 HD1 0.0060 -0.0204 -0.0149 1144 HIS 75 CE1 0.0050 -0.0265 -0.0168 1145 HIS 75 HE1 0.0061 -0.0301 -0.0201 1146 HIS 75 C 0.0040 -0.0069 -0.0050 1147 HIS 75 O 0.0075 -0.0029 -0.0080 1148 LEU 76 N -0.0033 -0.0073 -0.0022 1149 LEU 76 HN -0.0078 -0.0087 -0.0021 1150 LEU 76 CA -0.0022 -0.0048 0.0005 1151 LEU 76 HA 0.0023 -0.0023 0.0017 1152 LEU 76 CB -0.0075 -0.0027 0.0054 1153 LEU 76 HB1 -0.0064 -0.0006 0.0077 1154 LEU 76 HB2 -0.0120 -0.0053 0.0041 1155 LEU 76 CG -0.0089 -0.0003 0.0091 1156 LEU 76 HG -0.0100 -0.0024 0.0069 1157 LEU 76 CD1 -0.0148 0.0011 0.0134 1158 LEU 76 HD11 -0.0141 0.0030 0.0156 1159 LEU 76 HD12 -0.0158 0.0030 0.0162 1160 LEU 76 HD13 -0.0190 -0.0018 0.0115 1161 LEU 76 CD2 -0.0033 0.0036 0.0117 1162 LEU 76 HD21 0.0009 0.0027 0.0087 1163 LEU 76 HD22 -0.0044 0.0053 0.0144 1164 LEU 76 HD23 -0.0022 0.0058 0.0141 1165 LEU 76 C -0.0021 -0.0076 -0.0031 1166 LEU 76 O -0.0068 -0.0105 -0.0049 1167 GLU 77 N 0.0046 -0.0036 -0.0075 1168 GLU 77 HN 0.0071 -0.0011 -0.0069 1169 GLU 77 CA 0.0062 -0.0062 -0.0104 1170 GLU 77 HA 0.0034 -0.0091 -0.0113 1171 GLU 77 CB 0.0108 -0.0073 -0.0136 1172 GLU 77 HB1 0.0119 -0.0092 -0.0156 1173 GLU 77 HB2 0.0138 -0.0044 -0.0128 1174 GLU 77 CG 0.0100 -0.0100 -0.0153 1175 GLU 77 HG1 0.0103 -0.0079 -0.0138 1176 GLU 77 HG2 0.0062 -0.0122 -0.0152 1177 GLU 77 CD 0.0135 -0.0126 -0.0192 1178 GLU 77 OE1 0.0178 -0.0109 -0.0200 1179 GLU 77 OE2 0.0117 -0.0166 -0.0214 1180 GLU 77 C 0.0069 -0.0037 -0.0088 1181 GLU 77 O 0.0100 -0.0003 -0.0076 1182 HIS 78 N 0.0008 -0.0128 -0.0105 1183 HIS 78 HN -0.0037 -0.0171 -0.0135 1184 HIS 78 CA -0.0015 -0.0102 -0.0050 1185 HIS 78 HA 0.0029 -0.0051 -0.0008 1186 HIS 78 CB -0.0114 -0.0117 0.0002 1187 HIS 78 HB1 -0.0137 -0.0111 0.0029 1188 HIS 78 HB2 -0.0158 -0.0167 -0.0038 1189 HIS 78 CD2 -0.0162 -0.0084 0.0087 1190 HIS 78 HD2 -0.0185 -0.0125 0.0044 1191 HIS 78 CG -0.0127 -0.0074 0.0075 1192 HIS 78 NE2 -0.0167 -0.0031 0.0168 1193 HIS 78 HE2 -0.0189 -0.0025 0.0193 1194 HIS 78 ND1 -0.0112 -0.0015 0.0151 1195 HIS 78 HD1 -0.0087 0.0007 0.0164 1196 HIS 78 CE1 -0.0136 0.0009 0.0204 1197 HIS 78 HE1 -0.0129 0.0056 0.0268 1198 HIS 78 C -0.0001 -0.0129 -0.0100 1199 HIS 78 O -0.0033 -0.0187 -0.0160 1200 HIS 79 N -0.0032 0.0044 -0.0001 1201 HIS 79 HN 0.0009 0.0005 0.0044 1202 HIS 79 CA -0.0106 0.0079 0.0052 1203 HIS 79 HA -0.0161 0.0127 0.0008 1204 HIS 79 CB -0.0078 0.0054 0.0075 1205 HIS 79 HB1 -0.0132 0.0076 0.0127 1206 HIS 79 HB2 -0.0017 0.0003 0.0114 1207 HIS 79 CD2 0.0019 0.0026 -0.0056 1208 HIS 79 HD2 0.0084 -0.0024 -0.0032 1209 HIS 79 CG -0.0058 0.0066 -0.0017 1210 HIS 79 NE2 -0.0003 0.0061 -0.0131 1211 HIS 79 HE2 0.0038 0.0046 -0.0175 1212 HIS 79 ND1 -0.0128 0.0126 -0.0065 1213 HIS 79 HD1 -0.0191 0.0164 -0.0051 1214 HIS 79 CE1 -0.0092 0.0121 -0.0134 1215 HIS 79 HE1 -0.0129 0.0160 -0.0187 1216 HIS 79 C -0.0138 0.0071 0.0157 1217 HIS 79 O -0.0088 0.0020 0.0223 1218 GLY 80 N 0.0136 -0.0211 -0.0004 1219 GLY 80 HN 0.0062 -0.0326 -0.0054 1220 GLY 80 CA 0.0140 0.0047 0.0089 1221 GLY 80 HA1 0.0339 0.0102 0.0132 1222 GLY 80 HA2 0.0050 0.0067 0.0085 1223 GLY 80 C -0.0015 0.0215 0.0131 1224 GLY 80 O -0.0242 0.0173 0.0089 1225 GLY 81 N 0.0159 -0.0492 -0.0146 1226 GLY 81 HN -0.0014 -0.0523 -0.0375 1227 GLY 81 CA 0.0225 -0.0520 -0.0090 1228 GLY 81 HA1 0.0138 -0.0684 -0.0326 1229 GLY 81 HA2 0.0463 -0.0632 0.0101 1230 GLY 81 C 0.0074 -0.0160 0.0023 1231 GLY 81 O 0.0142 -0.0131 0.0126 1232 LYS 82 N 0.0037 -0.0027 0.0062 1233 LYS 82 HN -0.0027 0.0013 0.0044 1234 LYS 82 CA 0.0061 0.0045 0.0062 1235 LYS 82 HA 0.0090 -0.0023 0.0074 1236 LYS 82 CB -0.0061 0.0114 0.0028 1237 LYS 82 HB1 -0.0041 0.0172 0.0028 1238 LYS 82 HB2 -0.0091 0.0183 0.0016 1239 LYS 82 CG -0.0172 0.0019 0.0011 1240 LYS 82 HG1 -0.0187 -0.0046 0.0013 1241 LYS 82 HG2 -0.0145 -0.0045 0.0022 1242 LYS 82 CD -0.0299 0.0087 -0.0023 1243 LYS 82 HD1 -0.0289 0.0145 -0.0025 1244 LYS 82 HD2 -0.0316 0.0157 -0.0033 1245 LYS 82 CE -0.0414 -0.0007 -0.0041 1246 LYS 82 HE1 -0.0502 0.0049 -0.0066 1247 LYS 82 HE2 -0.0425 -0.0062 -0.0040 1248 LYS 82 NZ -0.0400 -0.0103 -0.0031 1249 LYS 82 HZ1 -0.0385 -0.0057 -0.0031 1250 LYS 82 HZ2 -0.0322 -0.0166 -0.0008 1251 LYS 82 HZ3 -0.0481 -0.0163 -0.0044 1252 LYS 82 C 0.0169 0.0146 0.0078 1253 LYS 82 O 0.0185 0.0210 0.0077 1254 VAL 83 N 0.0075 0.0082 0.0062 1255 VAL 83 HN 0.0081 0.0095 0.0067 1256 VAL 83 CA 0.0068 0.0076 0.0063 1257 VAL 83 HA 0.0065 0.0062 0.0054 1258 VAL 83 CB 0.0053 0.0078 0.0081 1259 VAL 83 HB 0.0043 0.0070 0.0084 1260 VAL 83 CG1 0.0056 0.0097 0.0095 1261 VAL 83 HG11 0.0044 0.0097 0.0108 1262 VAL 83 HG12 0.0061 0.0103 0.0095 1263 VAL 83 HG13 0.0065 0.0105 0.0094 1264 VAL 83 CG2 0.0045 0.0069 0.0081 1265 VAL 83 HG21 0.0033 0.0068 0.0093 1266 VAL 83 HG22 0.0053 0.0076 0.0079 1267 VAL 83 HG23 0.0043 0.0055 0.0070 1268 VAL 83 C 0.0082 0.0086 0.0058 1269 VAL 83 O 0.0092 0.0102 0.0062 1270 SER 84 N 0.0108 0.0086 -0.0029 1271 SER 84 HN 0.0101 0.0082 -0.0034 1272 SER 84 CA 0.0117 0.0083 -0.0035 1273 SER 84 HA 0.0124 0.0088 -0.0029 1274 SER 84 CB 0.0125 0.0077 -0.0043 1275 SER 84 HB1 0.0119 0.0072 -0.0049 1276 SER 84 HB2 0.0128 0.0080 -0.0040 1277 SER 84 OG 0.0136 0.0075 -0.0047 1278 SER 84 HG1 0.0140 0.0072 -0.0052 1279 SER 84 C 0.0112 0.0079 -0.0039 1280 SER 84 O 0.0101 0.0075 -0.0042 1281 ILE 85 N 0.0061 0.0016 -0.0046 1282 ILE 85 HN 0.0079 0.0028 -0.0047 1283 ILE 85 CA 0.0049 0.0016 -0.0038 1284 ILE 85 HA 0.0029 0.0004 -0.0036 1285 ILE 85 CB 0.0050 0.0039 -0.0016 1286 ILE 85 HB 0.0070 0.0050 -0.0019 1287 ILE 85 CG2 0.0034 0.0038 -0.0006 1288 ILE 85 HG21 0.0035 0.0055 0.0011 1289 ILE 85 HG22 0.0042 0.0032 -0.0017 1290 ILE 85 HG23 0.0014 0.0026 -0.0003 1291 ILE 85 CG1 0.0042 0.0050 0.0001 1292 ILE 85 HG11 0.0044 0.0067 0.0016 1293 ILE 85 HG12 0.0056 0.0052 -0.0006 1294 ILE 85 CD 0.0015 0.0037 0.0007 1295 ILE 85 HD1 0.0011 0.0044 0.0017 1296 ILE 85 HD2 0.0001 0.0037 0.0017 1297 ILE 85 HD3 0.0011 0.0019 -0.0008 1298 ILE 85 C 0.0063 0.0009 -0.0054 1299 ILE 85 O 0.0086 0.0020 -0.0060 1300 LYS 86 N 0.0060 0.0016 -0.0129 1301 LYS 86 HN 0.0058 -0.0013 -0.0112 1302 LYS 86 CA 0.0052 0.0024 -0.0119 1303 LYS 86 HA 0.0049 0.0061 -0.0132 1304 LYS 86 CB 0.0074 -0.0012 -0.0139 1305 LYS 86 HB1 0.0094 -0.0008 -0.0175 1306 LYS 86 HB2 0.0069 -0.0000 -0.0137 1307 LYS 86 CG 0.0077 -0.0066 -0.0120 1308 LYS 86 HG1 0.0058 -0.0071 -0.0085 1309 LYS 86 HG2 0.0081 -0.0078 -0.0121 1310 LYS 86 CD 0.0102 -0.0097 -0.0146 1311 LYS 86 HD1 0.0120 -0.0093 -0.0180 1312 LYS 86 HD2 0.0099 -0.0081 -0.0149 1313 LYS 86 CE 0.0106 -0.0151 -0.0128 1314 LYS 86 HE1 0.0089 -0.0157 -0.0096 1315 LYS 86 HE2 0.0107 -0.0165 -0.0124 1316 LYS 86 NZ 0.0132 -0.0179 -0.0159 1317 LYS 86 HZ1 0.0138 -0.0156 -0.0181 1318 LYS 86 HZ2 0.0147 -0.0192 -0.0178 1319 LYS 86 HZ3 0.0131 -0.0208 -0.0144 1320 LYS 86 C 0.0024 0.0020 -0.0070 1321 LYS 86 O 0.0014 0.0000 -0.0044 1322 GLY 87 N -0.0016 -0.0013 -0.0079 1323 GLY 87 HN -0.0017 0.0001 -0.0098 1324 GLY 87 CA -0.0021 -0.0006 -0.0044 1325 GLY 87 HA1 -0.0027 0.0020 -0.0039 1326 GLY 87 HA2 -0.0019 -0.0024 -0.0026 1327 GLY 87 C -0.0022 -0.0007 -0.0038 1328 GLY 87 O -0.0017 -0.0020 -0.0059 1329 HIS 88 N -0.0106 0.0009 0.0052 1330 HIS 88 HN -0.0094 0.0001 0.0053 1331 HIS 88 CA -0.0104 0.0025 0.0041 1332 HIS 88 HA -0.0114 0.0033 0.0038 1333 HIS 88 CB -0.0085 0.0029 0.0032 1334 HIS 88 HB1 -0.0074 0.0022 0.0033 1335 HIS 88 HB2 -0.0081 0.0026 0.0033 1336 HIS 88 CD2 -0.0071 0.0055 0.0011 1337 HIS 88 HD2 -0.0058 0.0050 0.0010 1338 HIS 88 CG -0.0084 0.0047 0.0020 1339 HIS 88 NE2 -0.0078 0.0071 0.0002 1340 HIS 88 HE2 -0.0073 0.0080 -0.0005 1341 HIS 88 ND1 -0.0099 0.0058 0.0017 1342 HIS 88 HD1 -0.0110 0.0056 0.0022 1343 HIS 88 CE1 -0.0095 0.0073 0.0006 1344 HIS 88 HE1 -0.0104 0.0084 0.0002 1345 HIS 88 C -0.0110 0.0028 0.0041 1346 HIS 88 O -0.0108 0.0017 0.0048 1347 HIS 89 N -0.0167 0.0023 0.0073 1348 HIS 89 HN -0.0157 0.0113 0.0011 1349 HIS 89 CA -0.0227 0.0035 0.0118 1350 HIS 89 HA -0.0235 0.0139 0.0065 1351 HIS 89 CB -0.0152 -0.0073 0.0115 1352 HIS 89 HB1 -0.0199 -0.0049 0.0142 1353 HIS 89 HB2 -0.0145 -0.0182 0.0171 1354 HIS 89 CD2 0.0087 -0.0167 -0.0041 1355 HIS 89 HD2 0.0109 -0.0276 0.0002 1356 HIS 89 CG -0.0025 -0.0066 -0.0001 1357 HIS 89 NE2 0.0172 -0.0106 -0.0152 1358 HIS 89 HE2 0.0264 -0.0153 -0.0205 1359 HIS 89 ND1 -0.0011 0.0058 -0.0085 1360 HIS 89 HD1 -0.0077 0.0150 -0.0080 1361 HIS 89 CE1 0.0108 0.0030 -0.0174 1362 HIS 89 HE1 0.0152 0.0103 -0.0255 1363 HIS 89 C -0.0358 0.0033 0.0235 1364 HIS 89 O -0.0419 0.0031 0.0290 1365 HIS 90 N -0.0063 0.0083 0.0066 1366 HIS 90 HN -0.0026 0.0072 0.0061 1367 HIS 90 CA -0.0043 0.0060 0.0017 1368 HIS 90 HA 0.0018 0.0037 -0.0004 1369 HIS 90 CB -0.0028 0.0074 0.0066 1370 HIS 90 HB1 -0.0022 0.0057 0.0023 1371 HIS 90 HB2 -0.0083 0.0101 0.0102 1372 HIS 90 CD2 0.0071 0.0091 0.0189 1373 HIS 90 HD2 0.0033 0.0112 0.0218 1374 HIS 90 CG 0.0052 0.0073 0.0122 1375 HIS 90 NE2 0.0153 0.0081 0.0221 1376 HIS 90 HE2 0.0184 0.0090 0.0270 1377 HIS 90 ND1 0.0122 0.0051 0.0114 1378 HIS 90 HD1 0.0125 0.0037 0.0076 1379 HIS 90 CE1 0.0181 0.0057 0.0175 1380 HIS 90 HE1 0.0243 0.0044 0.0185 1381 HIS 90 C -0.0097 0.0046 -0.0064 1382 HIS 90 O -0.0095 0.0031 -0.0104 1383 HIS 91 N -0.0014 0.0041 -0.0060 1384 HIS 91 HN -0.0022 0.0038 -0.0059 1385 HIS 91 CA -0.0033 0.0034 -0.0081 1386 HIS 91 HA -0.0034 0.0034 -0.0068 1387 HIS 91 CB -0.0069 0.0023 -0.0086 1388 HIS 91 HB1 -0.0084 0.0018 -0.0101 1389 HIS 91 HB2 -0.0070 0.0022 -0.0099 1390 HIS 91 CD2 -0.0101 0.0013 -0.0036 1391 HIS 91 HD2 -0.0106 0.0012 -0.0046 1392 HIS 91 CG -0.0086 0.0018 -0.0051 1393 HIS 91 NE2 -0.0109 0.0011 -0.0003 1394 HIS 91 HE2 -0.0120 0.0008 0.0016 1395 HIS 91 ND1 -0.0085 0.0019 -0.0029 1396 HIS 91 HD1 -0.0075 0.0022 -0.0033 1397 HIS 91 CE1 -0.0099 0.0015 0.0000 1398 HIS 91 HE1 -0.0101 0.0014 0.0024 1399 HIS 91 C -0.0019 0.0038 -0.0117 1400 HIS 91 O -0.0003 0.0043 -0.0133 1401 TYR 92 N 0.0011 0.0006 -0.0099 1402 TYR 92 HN 0.0001 0.0005 -0.0095 1403 TYR 92 CA 0.0019 0.0003 -0.0113 1404 TYR 92 HA 0.0031 0.0005 -0.0115 1405 TYR 92 CB 0.0021 0.0004 -0.0112 1406 TYR 92 HB1 0.0025 0.0002 -0.0124 1407 TYR 92 HB2 0.0009 0.0003 -0.0108 1408 TYR 92 CG 0.0034 0.0010 -0.0100 1409 TYR 92 CD1 0.0030 0.0013 -0.0084 1410 TYR 92 HD1 0.0018 0.0012 -0.0079 1411 TYR 92 CE1 0.0042 0.0018 -0.0073 1412 TYR 92 HE1 0.0040 0.0021 -0.0060 1413 TYR 92 CZ 0.0058 0.0020 -0.0079 1414 TYR 92 OH 0.0071 0.0025 -0.0069 1415 TYR 92 HH 0.0081 0.0025 -0.0075 1416 TYR 92 CD2 0.0049 0.0011 -0.0106 1417 TYR 92 HD2 0.0052 0.0009 -0.0119 1418 TYR 92 CE2 0.0062 0.0016 -0.0096 1419 TYR 92 HE2 0.0074 0.0018 -0.0101 1420 TYR 92 C 0.0009 -0.0002 -0.0128 1421 TYR 92 O -0.0006 -0.0005 -0.0128 1422 ILE 93 N -0.0009 -0.0036 -0.0077 1423 ILE 93 HN -0.0017 -0.0049 -0.0074 1424 ILE 93 CA -0.0003 -0.0026 -0.0061 1425 ILE 93 HA 0.0005 -0.0013 -0.0060 1426 ILE 93 CB -0.0010 -0.0034 -0.0040 1427 ILE 93 HB -0.0018 -0.0047 -0.0040 1428 ILE 93 CG2 -0.0013 -0.0037 -0.0036 1429 ILE 93 HG21 -0.0018 -0.0043 -0.0020 1430 ILE 93 HG22 -0.0005 -0.0025 -0.0036 1431 ILE 93 HG23 -0.0018 -0.0047 -0.0048 1432 ILE 93 CG1 -0.0004 -0.0022 -0.0021 1433 ILE 93 HG11 0.0003 -0.0010 -0.0019 1434 ILE 93 HG12 -0.0001 -0.0018 -0.0025 1435 ILE 93 CD -0.0013 -0.0032 -0.0001 1436 ILE 93 HD1 -0.0020 -0.0044 -0.0004 1437 ILE 93 HD2 -0.0008 -0.0024 0.0012 1438 ILE 93 HD3 -0.0016 -0.0037 0.0004 1439 ILE 93 C -0.0001 -0.0022 -0.0066 1440 ILE 93 O -0.0008 -0.0035 -0.0069 1441 SER 94 N -0.0021 -0.0077 -0.0102 1442 SER 94 HN -0.0025 -0.0084 -0.0106 1443 SER 94 CA -0.0019 -0.0078 -0.0093 1444 SER 94 HA -0.0014 -0.0069 -0.0089 1445 SER 94 CB -0.0021 -0.0089 -0.0082 1446 SER 94 HB1 -0.0026 -0.0098 -0.0087 1447 SER 94 HB2 -0.0019 -0.0088 -0.0078 1448 SER 94 OG -0.0018 -0.0089 -0.0072 1449 SER 94 HG1 -0.0020 -0.0091 -0.0075 1450 SER 94 C -0.0022 -0.0080 -0.0101 1451 SER 94 O -0.0028 -0.0088 -0.0108 1452 ALA 95 N -0.0041 -0.0052 -0.0048 1453 ALA 95 HN -0.0046 -0.0056 -0.0052 1454 ALA 95 CA -0.0038 -0.0047 -0.0037 1455 ALA 95 HA -0.0034 -0.0043 -0.0032 1456 ALA 95 CB -0.0046 -0.0051 -0.0029 1457 ALA 95 HB1 -0.0050 -0.0054 -0.0033 1458 ALA 95 HB2 -0.0044 -0.0047 -0.0020 1459 ALA 95 HB3 -0.0053 -0.0054 -0.0026 1460 ALA 95 C -0.0029 -0.0042 -0.0041 1461 ALA 95 O -0.0031 -0.0045 -0.0048 1462 ASP 96 N -0.0020 0.0052 -0.0043 1463 ASP 96 HN -0.0003 0.0067 -0.0012 1464 ASP 96 CA 0.0004 0.0078 -0.0061 1465 ASP 96 HA -0.0003 0.0073 -0.0111 1466 ASP 96 CB 0.0055 0.0130 -0.0049 1467 ASP 96 HB1 0.0074 0.0151 -0.0061 1468 ASP 96 HB2 0.0062 0.0135 0.0002 1469 ASP 96 CG 0.0072 0.0150 -0.0089 1470 ASP 96 OD1 0.0111 0.0191 -0.0077 1471 ASP 96 OD2 0.0047 0.0127 -0.0134 1472 ASP 96 C -0.0012 0.0058 -0.0021 1473 ASP 96 O -0.0037 0.0030 0.0024 1474 HIS 97 N 0.0017 0.0144 0.0113 1475 HIS 97 HN -0.0022 0.0157 0.0130 1476 HIS 97 CA 0.0014 0.0088 0.0092 1477 HIS 97 HA 0.0036 0.0095 0.0089 1478 HIS 97 CB -0.0052 0.0060 0.0100 1479 HIS 97 HB1 -0.0053 0.0018 0.0084 1480 HIS 97 HB2 -0.0075 0.0051 0.0103 1481 HIS 97 CD2 -0.0092 0.0107 0.0130 1482 HIS 97 HD2 -0.0068 0.0088 0.0116 1483 HIS 97 CG -0.0089 0.0100 0.0126 1484 HIS 97 NE2 -0.0134 0.0148 0.0158 1485 HIS 97 HE2 -0.0140 0.0170 0.0169 1486 HIS 97 ND1 -0.0128 0.0133 0.0150 1487 HIS 97 HD1 -0.0135 0.0135 0.0153 1488 HIS 97 CE1 -0.0154 0.0162 0.0169 1489 HIS 97 HE1 -0.0187 0.0194 0.0191 1490 HIS 97 C 0.0048 0.0042 0.0064 1491 HIS 97 O 0.0066 0.0001 0.0043 1492 HIS 98 N 0.0002 0.0130 -0.0015 1493 HIS 98 HN 0.0028 0.0138 -0.0086 1494 HIS 98 CA 0.0060 0.0135 0.0054 1495 HIS 98 HA 0.0008 0.0125 0.0103 1496 HIS 98 CB 0.0133 0.0144 0.0119 1497 HIS 98 HB1 0.0185 0.0154 0.0070 1498 HIS 98 HB2 0.0090 0.0134 0.0163 1499 HIS 98 CD2 0.0293 0.0164 0.0208 1500 HIS 98 HD2 0.0354 0.0175 0.0170 1501 HIS 98 CG 0.0193 0.0149 0.0193 1502 HIS 98 NE2 0.0305 0.0162 0.0286 1503 HIS 98 HE2 0.0370 0.0170 0.0316 1504 HIS 98 ND1 0.0143 0.0138 0.0259 1505 HIS 98 HD1 0.0069 0.0126 0.0263 1506 HIS 98 CE1 0.0213 0.0146 0.0313 1507 HIS 98 HE1 0.0198 0.0141 0.0374 1508 HIS 98 C 0.0118 0.0147 -0.0002 1509 HIS 98 O 0.0140 0.0155 -0.0091 1510 GLY 99 N -0.0020 0.0140 -0.0011 1511 GLY 99 HN -0.0029 0.0117 0.0042 1512 GLY 99 CA 0.0020 0.0179 0.0006 1513 GLY 99 HA1 0.0053 0.0227 -0.0040 1514 GLY 99 HA2 0.0044 0.0186 0.0075 1515 GLY 99 C -0.0014 0.0146 -0.0007 1516 GLY 99 O -0.0072 0.0085 -0.0013 1517 HIS 100 N 0.0022 0.0315 -0.0142 1518 HIS 100 HN 0.0015 0.0402 -0.0132 1519 HIS 100 CA 0.0020 0.0247 -0.0072 1520 HIS 100 HA 0.0019 0.0194 -0.0012 1521 HIS 100 CB 0.0009 0.0330 0.0003 1522 HIS 100 HB1 0.0008 0.0279 0.0059 1523 HIS 100 HB2 0.0010 0.0387 -0.0057 1524 HIS 100 CD2 -0.0007 0.0379 0.0169 1525 HIS 100 HD2 -0.0003 0.0294 0.0190 1526 HIS 100 CG -0.0002 0.0407 0.0085 1527 HIS 100 NE2 -0.0018 0.0483 0.0226 1528 HIS 100 HE2 -0.0024 0.0493 0.0296 1529 HIS 100 ND1 -0.0010 0.0526 0.0089 1530 HIS 100 HD1 -0.0008 0.0570 0.0039 1531 HIS 100 CE1 -0.0019 0.0568 0.0175 1532 HIS 100 HE1 -0.0027 0.0659 0.0203 1533 HIS 100 C 0.0030 0.0166 -0.0135 1534 HIS 100 O 0.0035 0.0199 -0.0218 1535 VAL 101 N -0.0020 0.0079 0.0002 1536 VAL 101 HN -0.0024 0.0069 0.0037 1537 VAL 101 CA -0.0034 0.0048 -0.0027 1538 VAL 101 HA -0.0036 0.0044 -0.0061 1539 VAL 101 CB -0.0053 0.0003 -0.0000 1540 VAL 101 HB -0.0050 0.0009 0.0038 1541 VAL 101 CG1 -0.0068 -0.0031 -0.0024 1542 VAL 101 HG11 -0.0063 -0.0019 -0.0025 1543 VAL 101 HG12 -0.0072 -0.0039 -0.0060 1544 VAL 101 HG13 -0.0081 -0.0062 -0.0002 1545 VAL 101 CG2 -0.0061 -0.0016 0.0002 1546 VAL 101 HG21 -0.0064 -0.0022 -0.0035 1547 VAL 101 HG22 -0.0051 0.0006 0.0021 1548 VAL 101 HG23 -0.0075 -0.0049 0.0022 1549 VAL 101 C -0.0026 0.0067 -0.0038 1550 VAL 101 O -0.0015 0.0092 -0.0009 1551 SER 102 N 0.0048 0.0037 -0.0032 1552 SER 102 HN 0.0041 0.0022 -0.0048 1553 SER 102 CA 0.0056 0.0041 -0.0055 1554 SER 102 HA 0.0057 0.0050 -0.0033 1555 SER 102 CB 0.0083 0.0069 -0.0086 1556 SER 102 HB1 0.0097 0.0094 -0.0068 1557 SER 102 HB2 0.0091 0.0077 -0.0097 1558 SER 102 OG 0.0084 0.0059 -0.0121 1559 SER 102 HG1 0.0087 0.0066 -0.0112 1560 SER 102 C 0.0037 0.0006 -0.0079 1561 SER 102 O 0.0014 -0.0022 -0.0065 1562 THR 103 N 0.0048 -0.0013 -0.0052 1563 THR 103 HN 0.0061 0.0003 -0.0061 1564 THR 103 CA 0.0035 -0.0026 -0.0071 1565 THR 103 HA 0.0020 -0.0044 -0.0070 1566 THR 103 CB 0.0036 -0.0026 -0.0062 1567 THR 103 HB 0.0032 -0.0033 -0.0038 1568 THR 103 OG1 0.0021 -0.0041 -0.0080 1569 THR 103 HG1 0.0020 -0.0043 -0.0069 1570 THR 103 CG2 0.0056 -0.0002 -0.0066 1571 THR 103 HG21 0.0056 -0.0002 -0.0057 1572 THR 103 HG22 0.0068 0.0010 -0.0052 1573 THR 103 HG23 0.0059 0.0005 -0.0090 1574 THR 103 C 0.0040 -0.0016 -0.0104 1575 THR 103 O 0.0058 0.0005 -0.0109 1576 LYS 104 N 0.0007 -0.0114 -0.0097 1577 LYS 104 HN 0.0002 -0.0072 -0.0106 1578 LYS 104 CA -0.0012 -0.0113 -0.0058 1579 LYS 104 HA 0.0002 -0.0141 -0.0076 1580 LYS 104 CB -0.0036 -0.0143 0.0008 1581 LYS 104 HB1 -0.0023 -0.0193 0.0003 1582 LYS 104 HB2 -0.0047 -0.0148 0.0034 1583 LYS 104 CG -0.0060 -0.0109 0.0044 1584 LYS 104 HG1 -0.0076 -0.0063 0.0057 1585 LYS 104 HG2 -0.0049 -0.0096 0.0015 1586 LYS 104 CD -0.0078 -0.0150 0.0101 1587 LYS 104 HD1 -0.0062 -0.0192 0.0087 1588 LYS 104 HD2 -0.0086 -0.0168 0.0126 1589 LYS 104 CE -0.0105 -0.0113 0.0143 1590 LYS 104 HE1 -0.0120 -0.0069 0.0155 1591 LYS 104 HE2 -0.0097 -0.0097 0.0119 1592 LYS 104 NZ -0.0123 -0.0151 0.0199 1593 LYS 104 HZ1 -0.0145 -0.0117 0.0232 1594 LYS 104 HZ2 -0.0124 -0.0183 0.0216 1595 LYS 104 HZ3 -0.0118 -0.0176 0.0199 1596 LYS 104 C -0.0027 -0.0045 -0.0057 1597 LYS 104 O -0.0029 0.0003 -0.0075 1598 GLU 105 N -0.0073 -0.0057 -0.0008 1599 GLU 105 HN -0.0083 -0.0101 0.0009 1600 GLU 105 CA -0.0077 0.0006 0.0013 1601 GLU 105 HA -0.0060 0.0044 -0.0025 1602 GLU 105 CB -0.0084 -0.0007 0.0029 1603 GLU 105 HB1 -0.0101 -0.0046 0.0069 1604 GLU 105 HB2 -0.0069 -0.0030 -0.0016 1605 GLU 105 CG -0.0087 0.0060 0.0050 1606 GLU 105 HG1 -0.0070 0.0100 0.0012 1607 GLU 105 HG2 -0.0103 0.0082 0.0097 1608 GLU 105 CD -0.0091 0.0045 0.0058 1609 GLU 105 OE1 -0.0072 0.0055 0.0010 1610 GLU 105 OE2 -0.0113 0.0024 0.0114 1611 GLU 105 C -0.0097 0.0036 0.0073 1612 GLU 105 O -0.0116 -0.0002 0.0118 1613 HIS 106 N 0.0027 -0.0050 -0.0085 1614 HIS 106 HN -0.0022 0.0024 -0.0293 1615 HIS 106 CA -0.0154 0.0097 0.0146 1616 HIS 106 HA -0.0290 0.0248 0.0004 1617 HIS 106 CB -0.0107 0.0028 0.0329 1618 HIS 106 HB1 -0.0263 0.0161 0.0480 1619 HIS 106 HB2 0.0030 -0.0126 0.0485 1620 HIS 106 CD2 0.0147 -0.0186 0.0060 1621 HIS 106 HD2 0.0305 -0.0354 0.0172 1622 HIS 106 CG -0.0048 -0.0002 0.0108 1623 HIS 106 NE2 0.0117 -0.0125 -0.0185 1624 HIS 106 HE2 0.0242 -0.0231 -0.0315 1625 HIS 106 ND1 -0.0205 0.0177 -0.0094 1626 HIS 106 HD1 -0.0363 0.0333 -0.0108 1627 HIS 106 CE1 -0.0098 0.0095 -0.0268 1628 HIS 106 HE1 -0.0169 0.0189 -0.0462 1629 HIS 106 C -0.0256 0.0167 0.0374 1630 HIS 106 O -0.0140 0.0039 0.0497 1631 HIS 107 N -0.0013 -0.0008 0.0138 1632 HIS 107 HN -0.0001 0.0022 0.0170 1633 HIS 107 CA 0.0010 0.0002 0.0100 1634 HIS 107 HA 0.0017 -0.0012 0.0052 1635 HIS 107 CB 0.0056 0.0059 0.0110 1636 HIS 107 HB1 0.0050 0.0075 0.0161 1637 HIS 107 HB2 0.0078 0.0077 0.0094 1638 HIS 107 CD2 0.0080 0.0084 0.0104 1639 HIS 107 HD2 0.0065 0.0088 0.0150 1640 HIS 107 CG 0.0079 0.0072 0.0079 1641 HIS 107 NE2 0.0104 0.0090 0.0055 1642 HIS 107 HE2 0.0108 0.0095 0.0056 1643 HIS 107 ND1 0.0102 0.0070 0.0017 1644 HIS 107 HD1 0.0107 0.0062 -0.0012 1645 HIS 107 CE1 0.0116 0.0081 0.0005 1646 HIS 107 HE1 0.0135 0.0081 -0.0041 1647 HIS 107 C -0.0016 -0.0024 0.0108 1648 HIS 107 O -0.0040 -0.0027 0.0160 1649 ASP 108 N 0.0016 0.0063 0.0177 1650 ASP 108 HN 0.0038 0.0068 0.0124 1651 ASP 108 CA -0.0013 0.0028 0.0187 1652 ASP 108 HA -0.0018 0.0048 0.0242 1653 ASP 108 CB -0.0062 -0.0044 0.0182 1654 ASP 108 HB1 -0.0058 -0.0067 0.0124 1655 ASP 108 HB2 -0.0075 -0.0046 0.0218 1656 ASP 108 CG -0.0102 -0.0087 0.0212 1657 ASP 108 OD1 -0.0092 -0.0065 0.0228 1658 ASP 108 OD2 -0.0143 -0.0143 0.0216 1659 ASP 108 C 0.0014 0.0037 0.0128 1660 ASP 108 O 0.0050 0.0060 0.0072 1661 HIS 109 N 0.0067 0.0015 0.0015 1662 HIS 109 HN 0.0087 0.0018 0.0004 1663 HIS 109 CA 0.0061 0.0044 0.0017 1664 HIS 109 HA 0.0048 0.0030 0.0025 1665 HIS 109 CB 0.0095 0.0059 -0.0001 1666 HIS 109 HB1 0.0090 0.0087 -0.0000 1667 HIS 109 HB2 0.0113 0.0064 -0.0012 1668 HIS 109 CD2 0.0139 0.0011 -0.0023 1669 HIS 109 HD2 0.0160 0.0010 -0.0034 1670 HIS 109 CG 0.0109 0.0031 -0.0008 1671 HIS 109 NE2 0.0141 -0.0012 -0.0023 1672 HIS 109 HE2 0.0160 -0.0030 -0.0032 1673 HIS 109 ND1 0.0092 0.0021 0.0002 1674 HIS 109 HD1 0.0069 0.0030 0.0014 1675 HIS 109 CE1 0.0112 -0.0005 -0.0008 1676 HIS 109 HE1 0.0105 -0.0019 -0.0003 1677 HIS 109 C 0.0037 0.0076 0.0029 1678 HIS 109 O 0.0021 0.0095 0.0037 1679 ASP 110 N 0.0014 -0.0008 0.0043 1680 ASP 110 HN 0.0011 -0.0017 0.0065 1681 ASP 110 CA -0.0004 -0.0024 0.0018 1682 ASP 110 HA -0.0005 -0.0022 0.0004 1683 ASP 110 CB -0.0023 -0.0052 0.0032 1684 ASP 110 HB1 -0.0036 -0.0064 0.0012 1685 ASP 110 HB2 -0.0020 -0.0053 0.0049 1686 ASP 110 CG -0.0030 -0.0066 0.0048 1687 ASP 110 OD1 -0.0022 -0.0055 0.0047 1688 ASP 110 OD2 -0.0044 -0.0088 0.0060 1689 ASP 110 C -0.0003 -0.0018 -0.0002 1690 ASP 110 O -0.0013 -0.0023 -0.0029 1691 THR 111 N 0.0011 -0.0014 -0.0015 1692 THR 111 HN 0.0012 -0.0005 0.0007 1693 THR 111 CA 0.0019 -0.0002 -0.0038 1694 THR 111 HA 0.0016 -0.0016 -0.0059 1695 THR 111 CB 0.0018 -0.0001 -0.0026 1696 THR 111 HB 0.0022 0.0003 -0.0046 1697 THR 111 OG1 0.0024 0.0021 -0.0002 1698 THR 111 HG1 0.0034 0.0040 -0.0012 1699 THR 111 CG2 0.0003 -0.0031 -0.0012 1700 THR 111 HG21 -0.0002 -0.0035 0.0008 1701 THR 111 HG22 0.0002 -0.0030 -0.0004 1702 THR 111 HG23 -0.0002 -0.0049 -0.0031 1703 THR 111 C 0.0033 0.0028 -0.0046 1704 THR 111 O 0.0042 0.0043 -0.0062 1705 THR 112 N 0.0052 0.0049 0.0002 1706 THR 112 HN 0.0049 0.0038 0.0010 1707 THR 112 CA 0.0053 0.0067 0.0002 1708 THR 112 HA 0.0057 0.0076 -0.0009 1709 THR 112 CB 0.0046 0.0079 0.0020 1710 THR 112 HB 0.0041 0.0069 0.0032 1711 THR 112 OG1 0.0044 0.0086 0.0024 1712 THR 112 HG1 0.0043 0.0074 0.0026 1713 THR 112 CG2 0.0046 0.0098 0.0019 1714 THR 112 HG21 0.0051 0.0107 0.0007 1715 THR 112 HG22 0.0041 0.0107 0.0032 1716 THR 112 HG23 0.0047 0.0094 0.0018 1717 THR 112 C 0.0053 0.0060 0.0000 1718 THR 112 O 0.0049 0.0046 0.0009 1719 PHE 113 N 0.0028 0.0030 0.0025 1720 PHE 113 HN 0.0030 0.0038 0.0021 1721 PHE 113 CA 0.0027 0.0030 0.0012 1722 PHE 113 HA 0.0025 0.0023 0.0019 1723 PHE 113 CB 0.0023 0.0022 -0.0009 1724 PHE 113 HB1 0.0021 0.0021 -0.0018 1725 PHE 113 HB2 0.0025 0.0032 -0.0017 1726 PHE 113 CG 0.0016 0.0003 -0.0007 1727 PHE 113 CD1 0.0014 -0.0001 -0.0016 1728 PHE 113 HD1 0.0017 0.0010 -0.0025 1729 PHE 113 CE1 0.0008 -0.0018 -0.0014 1730 PHE 113 HE1 0.0006 -0.0021 -0.0021 1731 PHE 113 CZ 0.0003 -0.0032 -0.0003 1732 PHE 113 HZ -0.0001 -0.0046 -0.0001 1733 PHE 113 CD2 0.0011 -0.0011 0.0004 1734 PHE 113 HD2 0.0013 -0.0008 0.0011 1735 PHE 113 CE2 0.0005 -0.0029 0.0006 1736 PHE 113 HE2 0.0002 -0.0039 0.0015 1737 PHE 113 C 0.0034 0.0050 0.0009 1738 PHE 113 O 0.0039 0.0063 0.0014 1739 GLU 114 N 0.0029 0.0031 0.0001 1740 GLU 114 HN 0.0018 0.0036 -0.0007 1741 GLU 114 CA 0.0048 0.0001 -0.0007 1742 GLU 114 HA 0.0063 -0.0001 0.0009 1743 GLU 114 CB 0.0036 -0.0014 -0.0038 1744 GLU 114 HB1 0.0051 -0.0037 -0.0043 1745 GLU 114 HB2 0.0022 -0.0013 -0.0054 1746 GLU 114 CG 0.0020 -0.0001 -0.0044 1747 GLU 114 HG1 0.0002 0.0021 -0.0042 1748 GLU 114 HG2 0.0033 0.0000 -0.0027 1749 GLU 114 CD 0.0011 -0.0019 -0.0074 1750 GLU 114 OE1 0.0002 -0.0013 -0.0078 1751 GLU 114 OE2 0.0012 -0.0038 -0.0092 1752 GLU 114 C 0.0063 -0.0013 -0.0004 1753 GLU 114 O 0.0053 -0.0002 -0.0004 1754 GLU 115 N 0.0021 0.0125 -0.0128 1755 GLU 115 HN 0.0038 0.0131 -0.0117 1756 GLU 115 CA 0.0004 0.0153 -0.0160 1757 GLU 115 HA -0.0022 0.0138 -0.0174 1758 GLU 115 CB 0.0017 0.0182 -0.0167 1759 GLU 115 HB1 0.0009 0.0206 -0.0190 1760 GLU 115 HB2 0.0045 0.0194 -0.0150 1761 GLU 115 CG 0.0006 0.0164 -0.0167 1762 GLU 115 HG1 0.0013 0.0140 -0.0144 1763 GLU 115 HG2 -0.0022 0.0155 -0.0185 1764 GLU 115 CD 0.0020 0.0193 -0.0172 1765 GLU 115 OE1 0.0017 0.0225 -0.0195 1766 GLU 115 OE2 0.0034 0.0184 -0.0155 1767 GLU 115 C 0.0007 0.0174 -0.0172 1768 GLU 115 O 0.0030 0.0179 -0.0154 1769 ILE 116 N 0.0065 0.0184 -0.0147 1770 ILE 116 HN 0.0059 0.0182 -0.0164 1771 ILE 116 CA 0.0067 0.0186 -0.0139 1772 ILE 116 HA 0.0073 0.0185 -0.0121 1773 ILE 116 CB 0.0069 0.0167 -0.0149 1774 ILE 116 HB 0.0063 0.0166 -0.0168 1775 ILE 116 CG2 0.0078 0.0144 -0.0141 1776 ILE 116 HG21 0.0077 0.0142 -0.0145 1777 ILE 116 HG22 0.0079 0.0130 -0.0150 1778 ILE 116 HG23 0.0084 0.0144 -0.0123 1779 ILE 116 CG1 0.0070 0.0170 -0.0143 1780 ILE 116 HG11 0.0076 0.0171 -0.0125 1781 ILE 116 HG12 0.0063 0.0187 -0.0149 1782 ILE 116 CD 0.0071 0.0152 -0.0155 1783 ILE 116 HD1 0.0065 0.0151 -0.0173 1784 ILE 116 HD2 0.0072 0.0156 -0.0150 1785 ILE 116 HD3 0.0078 0.0135 -0.0149 1786 ILE 116 C 0.0058 0.0209 -0.0143 1787 ILE 116 O 0.0050 0.0216 -0.0162 1788 ILE 117 N 0.0188 0.0072 -0.0280 1789 ILE 117 HN 0.0247 0.0047 -0.0202 1790 ILE 117 CA -0.0003 0.0108 -0.0179 1791 ILE 117 HA -0.0091 0.0147 -0.0304 1792 ILE 117 CB -0.0146 0.0131 -0.0077 1793 ILE 117 HB -0.0051 0.0092 0.0032 1794 ILE 117 CG2 -0.0328 0.0159 0.0066 1795 ILE 117 HG21 -0.0434 0.0178 0.0129 1796 ILE 117 HG22 -0.0266 0.0124 0.0207 1797 ILE 117 HG23 -0.0422 0.0196 -0.0030 1798 ILE 117 CG1 -0.0241 0.0179 -0.0256 1799 ILE 117 HG11 -0.0263 0.0204 -0.0405 1800 ILE 117 HG12 -0.0402 0.0212 -0.0197 1801 ILE 117 CD -0.0112 0.0153 -0.0310 1802 ILE 117 HD1 0.0047 0.0121 -0.0380 1803 ILE 117 HD2 -0.0094 0.0129 -0.0161 1804 ILE 117 HD3 -0.0197 0.0190 -0.0429 1805 ILE 117 C 0.0055 0.0072 -0.0019 1806 ILE 117 O 0.0198 0.0019 0.0109 1807 ILE 118 N 0.0085 -0.0194 -0.0320 1808 ILE 118 HN -0.0009 -0.0352 -0.0355 1809 ILE 118 CA -0.0050 -0.0362 0.0367 1810 ILE 118 HA 0.0230 0.0070 0.0019 1811 ILE 118 CB 0.0093 -0.0141 0.0185 1812 ILE 118 HB -0.0033 -0.0348 0.0184 1813 ILE 118 CG2 0.0129 -0.0055 0.0521 1814 ILE 118 HG21 0.0120 -0.0060 0.0652 1815 ILE 118 HG22 0.0042 -0.0190 0.0633 1816 ILE 118 HG23 0.0251 0.0145 0.0534 1817 ILE 118 CG1 0.0196 0.0017 0.0047 1818 ILE 118 HG11 0.0177 -0.0003 0.0194 1819 ILE 118 HG12 0.0152 -0.0072 -0.0179 1820 ILE 118 CD 0.0375 0.0307 0.0001 1821 ILE 118 HD1 0.0438 0.0403 -0.0104 1822 ILE 118 HD2 0.0426 0.0409 0.0223 1823 ILE 118 HD3 0.0398 0.0334 -0.0153 1824 ILE 118 C -0.0008 -0.0313 0.0114 1825 ILE 118 OT1 -0.0151 -0.0551 0.0077 1826 ILE 118 OT2 -0.0052 -0.0408 -0.0176