1 ASN 3 N 0.0159 0.0036 -0.0040 2 ASN 3 HN 0.0156 0.0036 -0.0040 3 ASN 3 CA 0.0120 0.0047 -0.0064 4 ASN 3 HA 0.0134 0.0042 -0.0080 5 ASN 3 CB 0.0096 0.0052 -0.0107 6 ASN 3 HB1 0.0066 0.0061 -0.0124 7 ASN 3 HB2 0.0083 0.0057 -0.0092 8 ASN 3 CG 0.0133 0.0040 -0.0148 9 ASN 3 OD1 0.0139 0.0038 -0.0181 10 ASN 3 ND2 0.0155 0.0034 -0.0148 11 ASN 3 HD21 0.0180 0.0026 -0.0174 12 ASN 3 HD22 0.0154 0.0035 -0.0116 13 ASN 3 C 0.0082 0.0059 -0.0027 14 ASN 3 O 0.0083 0.0060 0.0017 15 ARG 4 N 0.0082 0.0021 0.0052 16 ARG 4 HN 0.0083 0.0034 0.0007 17 ARG 4 CA 0.0021 0.0080 0.0135 18 ARG 4 HA 0.0029 0.0053 0.0189 19 ARG 4 CB -0.0003 0.0093 0.0202 20 ARG 4 HB1 -0.0045 0.0129 0.0272 21 ARG 4 HB2 -0.0023 0.0136 0.0151 22 ARG 4 CG 0.0050 0.0006 0.0248 23 ARG 4 HG1 0.0025 0.0026 0.0296 24 ARG 4 HG2 0.0089 -0.0026 0.0179 25 ARG 4 CD 0.0084 -0.0062 0.0319 26 ARG 4 HD1 0.0112 -0.0085 0.0271 27 ARG 4 HD2 0.0047 -0.0032 0.0390 28 ARG 4 NE 0.0131 -0.0139 0.0359 29 ARG 4 HE 0.0123 -0.0126 0.0358 30 ARG 4 CZ 0.0186 -0.0223 0.0388 31 ARG 4 NH1 0.0206 -0.0249 0.0386 32 ARG 4 HH11 0.0183 -0.0206 0.0348 33 ARG 4 HH12 0.0251 -0.0313 0.0396 34 ARG 4 NH2 0.0224 -0.0284 0.0419 35 ARG 4 HH21 0.0266 -0.0347 0.0440 36 ARG 4 HH22 0.0211 -0.0266 0.0417 37 ARG 4 C -0.0038 0.0175 0.0087 38 ARG 4 O -0.0086 0.0225 0.0144 39 ALA 5 N -0.0021 0.0069 0.0041 40 ALA 5 HN -0.0007 0.0049 0.0022 41 ALA 5 CA -0.0059 0.0089 0.0023 42 ALA 5 HA -0.0071 0.0110 0.0045 43 ALA 5 CB -0.0066 0.0076 -0.0013 44 ALA 5 HB1 -0.0095 0.0091 -0.0028 45 ALA 5 HB2 -0.0056 0.0073 -0.0003 46 ALA 5 HB3 -0.0053 0.0055 -0.0035 47 ALA 5 C -0.0075 0.0095 0.0011 48 ALA 5 O -0.0058 0.0076 -0.0001 49 PHE 6 N -0.0067 0.0076 -0.0005 50 PHE 6 HN -0.0073 0.0086 0.0000 51 PHE 6 CA -0.0071 0.0078 -0.0013 52 PHE 6 HA -0.0064 0.0067 -0.0020 53 PHE 6 CB -0.0071 0.0085 0.0004 54 PHE 6 HB1 -0.0077 0.0090 -0.0002 55 PHE 6 HB2 -0.0076 0.0094 0.0015 56 PHE 6 CG -0.0059 0.0071 0.0015 57 PHE 6 CD1 -0.0051 0.0065 0.0029 58 PHE 6 HD1 -0.0055 0.0071 0.0033 59 PHE 6 CE1 -0.0039 0.0051 0.0037 60 PHE 6 HE1 -0.0033 0.0046 0.0048 61 PHE 6 CZ -0.0034 0.0042 0.0031 62 PHE 6 HZ -0.0025 0.0031 0.0037 63 PHE 6 CD2 -0.0054 0.0062 0.0009 64 PHE 6 HD2 -0.0060 0.0067 -0.0002 65 PHE 6 CE2 -0.0042 0.0048 0.0017 66 PHE 6 HE2 -0.0038 0.0042 0.0013 67 PHE 6 C -0.0083 0.0090 -0.0029 68 PHE 6 O -0.0091 0.0101 -0.0029 69 LYS 7 N -0.0048 0.0002 -0.0069 70 LYS 7 HN -0.0029 0.0001 -0.0060 71 LYS 7 CA -0.0055 0.0003 -0.0074 72 LYS 7 HA -0.0075 0.0004 -0.0082 73 LYS 7 CB -0.0037 0.0013 -0.0093 74 LYS 7 HB1 -0.0040 0.0020 -0.0112 75 LYS 7 HB2 -0.0043 0.0014 -0.0096 76 LYS 7 CG -0.0006 0.0014 -0.0086 77 LYS 7 HG1 -0.0003 0.0007 -0.0066 78 LYS 7 HG2 0.0001 0.0016 -0.0089 79 LYS 7 CD 0.0010 0.0022 -0.0101 80 LYS 7 HD1 0.0010 0.0030 -0.0121 81 LYS 7 HD2 -0.0002 0.0021 -0.0101 82 LYS 7 CE 0.0038 0.0021 -0.0090 83 LYS 7 HE1 0.0046 0.0026 -0.0100 84 LYS 7 HE2 0.0037 0.0013 -0.0070 85 LYS 7 NZ 0.0057 0.0025 -0.0094 86 LYS 7 HZ1 0.0063 0.0033 -0.0112 87 LYS 7 HZ2 0.0048 0.0023 -0.0091 88 LYS 7 HZ3 0.0073 0.0022 -0.0081 89 LYS 7 C -0.0055 -0.0006 -0.0050 90 LYS 7 O -0.0041 -0.0012 -0.0031 91 SER 8 N -0.0011 -0.0100 -0.0002 92 SER 8 HN -0.0013 -0.0092 -0.0005 93 SER 8 CA -0.0009 -0.0101 -0.0004 94 SER 8 HA -0.0004 -0.0110 -0.0003 95 SER 8 CB -0.0017 -0.0096 0.0004 96 SER 8 HB1 -0.0020 -0.0101 0.0012 97 SER 8 HB2 -0.0015 -0.0098 0.0003 98 SER 8 OG -0.0023 -0.0084 0.0003 99 SER 8 HG1 -0.0024 -0.0084 0.0005 100 SER 8 C -0.0004 -0.0094 -0.0015 101 SER 8 O -0.0004 -0.0087 -0.0020 102 HIS 9 N 0.0011 -0.0187 0.0003 103 HIS 9 HN 0.0010 -0.0195 0.0003 104 HIS 9 CA 0.0021 -0.0179 -0.0009 105 HIS 9 HA 0.0026 -0.0186 -0.0016 106 HIS 9 CB 0.0022 -0.0162 -0.0008 107 HIS 9 HB1 0.0030 -0.0155 -0.0017 108 HIS 9 HB2 0.0017 -0.0154 0.0001 109 HIS 9 CD2 0.0012 -0.0160 0.0005 110 HIS 9 HD2 0.0006 -0.0154 0.0015 111 HIS 9 CG 0.0020 -0.0163 -0.0005 112 HIS 9 NE2 0.0014 -0.0166 0.0002 113 HIS 9 HE2 0.0010 -0.0166 0.0008 114 HIS 9 ND1 0.0027 -0.0171 -0.0015 115 HIS 9 HD1 0.0033 -0.0175 -0.0024 116 HIS 9 CE1 0.0023 -0.0172 -0.0011 117 HIS 9 HE1 0.0026 -0.0178 -0.0016 118 HIS 9 C 0.0025 -0.0178 -0.0014 119 HIS 9 O 0.0027 -0.0191 -0.0019 120 HIS 10 N -0.0011 -0.0232 -0.0076 121 HIS 10 HN -0.0005 -0.0247 -0.0081 122 HIS 10 CA -0.0019 -0.0235 -0.0063 123 HIS 10 HA -0.0028 -0.0219 -0.0054 124 HIS 10 CB -0.0026 -0.0259 -0.0048 125 HIS 10 HB1 -0.0033 -0.0261 -0.0038 126 HIS 10 HB2 -0.0017 -0.0276 -0.0057 127 HIS 10 CD2 -0.0033 -0.0277 -0.0034 128 HIS 10 HD2 -0.0024 -0.0292 -0.0043 129 HIS 10 CG -0.0035 -0.0261 -0.0035 130 HIS 10 NE2 -0.0045 -0.0273 -0.0016 131 HIS 10 HE2 -0.0048 -0.0282 -0.0011 132 HIS 10 ND1 -0.0048 -0.0246 -0.0018 133 HIS 10 HD1 -0.0052 -0.0232 -0.0015 134 HIS 10 CE1 -0.0054 -0.0254 -0.0008 135 HIS 10 HE1 -0.0065 -0.0246 0.0006 136 HIS 10 C -0.0010 -0.0238 -0.0076 137 HIS 10 O -0.0015 -0.0245 -0.0067 138 GLY 11 N -0.0032 -0.0130 -0.0045 139 GLY 11 HN -0.0035 -0.0140 -0.0046 140 GLY 11 CA -0.0043 -0.0121 -0.0044 141 GLY 11 HA1 -0.0038 -0.0110 -0.0044 142 GLY 11 HA2 -0.0048 -0.0126 -0.0045 143 GLY 11 C -0.0055 -0.0117 -0.0044 144 GLY 11 O -0.0065 -0.0110 -0.0043 145 HIS 12 N -0.0032 -0.0081 0.0021 146 HIS 12 HN -0.0020 -0.0080 0.0004 147 HIS 12 CA -0.0030 -0.0069 0.0037 148 HIS 12 HA -0.0031 -0.0058 0.0056 149 HIS 12 CB -0.0007 -0.0055 0.0025 150 HIS 12 HB1 -0.0007 -0.0048 0.0036 151 HIS 12 HB2 -0.0004 -0.0065 0.0004 152 HIS 12 CD2 0.0032 -0.0015 0.0031 153 HIS 12 HD2 0.0036 -0.0009 0.0036 154 HIS 12 CG 0.0014 -0.0035 0.0026 155 HIS 12 NE2 0.0045 -0.0004 0.0030 156 HIS 12 HE2 0.0060 0.0012 0.0033 157 HIS 12 ND1 0.0016 -0.0037 0.0021 158 HIS 12 HD1 0.0005 -0.0049 0.0016 159 HIS 12 CE1 0.0035 -0.0017 0.0024 160 HIS 12 HE1 0.0041 -0.0012 0.0022 161 HIS 12 C -0.0048 -0.0083 0.0042 162 HIS 12 O -0.0057 -0.0101 0.0025 163 PHE 13 N -0.0074 0.0001 -0.0018 164 PHE 13 HN -0.0080 0.0008 -0.0024 165 PHE 13 CA -0.0068 -0.0007 -0.0001 166 PHE 13 HA -0.0058 -0.0018 0.0001 167 PHE 13 CB -0.0067 -0.0008 -0.0002 168 PHE 13 HB1 -0.0061 -0.0015 0.0010 169 PHE 13 HB2 -0.0077 0.0002 -0.0001 170 PHE 13 CG -0.0060 -0.0013 -0.0021 171 PHE 13 CD1 -0.0046 -0.0027 -0.0026 172 PHE 13 HD1 -0.0041 -0.0033 -0.0015 173 PHE 13 CE1 -0.0040 -0.0031 -0.0044 174 PHE 13 HE1 -0.0029 -0.0042 -0.0047 175 PHE 13 CZ -0.0046 -0.0023 -0.0057 176 PHE 13 HZ -0.0041 -0.0027 -0.0071 177 PHE 13 CD2 -0.0066 -0.0005 -0.0035 178 PHE 13 HD2 -0.0077 0.0005 -0.0031 179 PHE 13 CE2 -0.0059 -0.0010 -0.0053 180 PHE 13 HE2 -0.0065 -0.0003 -0.0063 181 PHE 13 C -0.0077 -0.0001 0.0018 182 PHE 13 O -0.0089 0.0012 0.0018 183 LEU 14 N -0.0075 0.0086 0.0059 184 LEU 14 HN -0.0077 0.0085 0.0059 185 LEU 14 CA -0.0087 0.0072 0.0057 186 LEU 14 HA -0.0080 0.0070 0.0056 187 LEU 14 CB -0.0089 0.0052 0.0054 188 LEU 14 HB1 -0.0097 0.0042 0.0053 189 LEU 14 HB2 -0.0097 0.0053 0.0055 190 LEU 14 CG -0.0069 0.0042 0.0051 191 LEU 14 HG -0.0061 0.0052 0.0052 192 LEU 14 CD1 -0.0072 0.0022 0.0048 193 LEU 14 HD11 -0.0079 0.0012 0.0047 194 LEU 14 HD12 -0.0057 0.0016 0.0046 195 LEU 14 HD13 -0.0081 0.0023 0.0049 196 LEU 14 CD2 -0.0055 0.0041 0.0050 197 LEU 14 HD21 -0.0051 0.0056 0.0052 198 LEU 14 HD22 -0.0041 0.0033 0.0048 199 LEU 14 HD23 -0.0062 0.0033 0.0049 200 LEU 14 C -0.0107 0.0081 0.0060 201 LEU 14 O -0.0117 0.0088 0.0062 202 SER 15 N -0.0105 0.0110 0.0088 203 SER 15 HN -0.0106 0.0110 0.0089 204 SER 15 CA -0.0092 0.0102 0.0086 205 SER 15 HA -0.0090 0.0106 0.0083 206 SER 15 CB -0.0092 0.0084 0.0094 207 SER 15 HB1 -0.0081 0.0078 0.0091 208 SER 15 HB2 -0.0095 0.0080 0.0098 209 SER 15 OG -0.0102 0.0082 0.0100 210 SER 15 HG1 -0.0111 0.0091 0.0100 211 SER 15 C -0.0077 0.0103 0.0078 212 SER 15 O -0.0078 0.0106 0.0077 213 ALA 16 N 0.0028 0.0117 0.0035 214 ALA 16 HN 0.0026 0.0127 0.0030 215 ALA 16 CA 0.0046 0.0105 0.0005 216 ALA 16 HA 0.0046 0.0097 0.0010 217 ALA 16 CB 0.0048 0.0138 -0.0025 218 ALA 16 HB1 0.0036 0.0161 -0.0016 219 ALA 16 HB2 0.0049 0.0146 -0.0032 220 ALA 16 HB3 0.0062 0.0131 -0.0049 221 ALA 16 C 0.0063 0.0073 -0.0007 222 ALA 16 O 0.0065 0.0071 -0.0009 223 GLU 17 N -0.0003 0.0040 -0.0127 224 GLU 17 HN -0.0008 0.0027 -0.0098 225 GLU 17 CA 0.0004 -0.0045 -0.0182 226 GLU 17 HA 0.0013 -0.0018 -0.0235 227 GLU 17 CB -0.0010 -0.0129 -0.0115 228 GLU 17 HB1 -0.0005 -0.0202 -0.0157 229 GLU 17 HB2 -0.0022 -0.0141 -0.0050 230 GLU 17 CG -0.0016 -0.0107 -0.0076 231 GLU 17 HG1 -0.0022 -0.0037 -0.0029 232 GLU 17 HG2 -0.0005 -0.0098 -0.0139 233 GLU 17 CD -0.0030 -0.0197 -0.0013 234 GLU 17 OE1 -0.0042 -0.0181 0.0066 235 GLU 17 OE2 -0.0029 -0.0285 -0.0034 236 GLU 17 C 0.0012 -0.0100 -0.0242 237 GLU 17 O 0.0004 -0.0131 -0.0201 238 GLY 18 N 0.0010 -0.0228 -0.0541 239 GLY 18 HN 0.0083 -0.0218 -0.0668 240 GLY 18 CA -0.0039 -0.0283 -0.0554 241 GLY 18 HA1 -0.0168 -0.0399 -0.0530 242 GLY 18 HA2 0.0029 -0.0290 -0.0704 243 GLY 18 C -0.0004 -0.0172 -0.0403 244 GLY 18 O 0.0134 -0.0046 -0.0424 245 GLU 19 N 0.0049 -0.0123 -0.0433 246 GLU 19 HN -0.0046 -0.0058 -0.0525 247 GLU 19 CA 0.0049 -0.0010 -0.0336 248 GLU 19 HA 0.0159 -0.0070 -0.0216 249 GLU 19 CB -0.0026 0.0220 -0.0253 250 GLU 19 HB1 -0.0029 0.0306 -0.0184 251 GLU 19 HB2 -0.0141 0.0286 -0.0376 252 GLU 19 CG 0.0055 0.0261 -0.0093 253 GLU 19 HG1 0.0060 0.0185 -0.0150 254 GLU 19 HG2 0.0168 0.0205 0.0034 255 GLU 19 CD -0.0022 0.0491 -0.0014 256 GLU 19 OE1 -0.0073 0.0615 0.0013 257 GLU 19 OE2 -0.0028 0.0544 0.0022 258 GLU 19 C -0.0036 -0.0019 -0.0476 259 GLU 19 O -0.0065 0.0093 -0.0424 260 ALA 20 N 0.0021 -0.0001 -0.0230 261 ALA 20 HN 0.0024 -0.0012 -0.0236 262 ALA 20 CA -0.0001 0.0014 -0.0188 263 ALA 20 HA -0.0001 0.0040 -0.0189 264 ALA 20 CB -0.0014 -0.0029 -0.0161 265 ALA 20 HB1 -0.0030 -0.0018 -0.0129 266 ALA 20 HB2 -0.0005 -0.0046 -0.0176 267 ALA 20 HB3 -0.0015 -0.0056 -0.0158 268 ALA 20 C -0.0012 0.0038 -0.0167 269 ALA 20 O -0.0005 0.0039 -0.0181 270 VAL 21 N 0.0015 0.0040 -0.0040 271 VAL 21 HN 0.0011 0.0041 -0.0033 272 VAL 21 CA 0.0002 0.0056 -0.0020 273 VAL 21 HA 0.0007 0.0052 -0.0028 274 VAL 21 CB -0.0003 0.0095 -0.0016 275 VAL 21 HB -0.0010 0.0099 -0.0005 276 VAL 21 CG1 -0.0016 0.0113 0.0003 277 VAL 21 HG11 -0.0029 0.0101 0.0027 278 VAL 21 HG12 -0.0009 0.0110 -0.0009 279 VAL 21 HG13 -0.0019 0.0142 0.0005 280 VAL 21 CG2 0.0014 0.0114 -0.0049 281 VAL 21 HG21 0.0010 0.0144 -0.0047 282 VAL 21 HG22 0.0022 0.0109 -0.0062 283 VAL 21 HG23 0.0022 0.0105 -0.0062 284 VAL 21 C -0.0015 0.0036 0.0012 285 VAL 21 O -0.0020 0.0029 0.0022 286 LYS 22 N -0.0078 0.0049 0.0093 287 LYS 22 HN -0.0074 0.0063 0.0082 288 LYS 22 CA -0.0089 0.0028 0.0128 289 LYS 22 HA -0.0094 0.0023 0.0143 290 LYS 22 CB -0.0086 -0.0012 0.0119 291 LYS 22 HB1 -0.0080 -0.0028 0.0099 292 LYS 22 HB2 -0.0095 -0.0031 0.0145 293 LYS 22 CG -0.0081 -0.0009 0.0102 294 LYS 22 HG1 -0.0088 -0.0008 0.0125 295 LYS 22 HG2 -0.0076 0.0020 0.0087 296 LYS 22 CD -0.0071 -0.0041 0.0073 297 LYS 22 HD1 -0.0067 -0.0031 0.0060 298 LYS 22 HD2 -0.0064 -0.0041 0.0050 299 LYS 22 CE -0.0076 -0.0083 0.0089 300 LYS 22 HE1 -0.0079 -0.0095 0.0098 301 LYS 22 HE2 -0.0084 -0.0081 0.0114 302 LYS 22 NZ -0.0067 -0.0109 0.0061 303 LYS 22 HZ1 -0.0070 -0.0136 0.0070 304 LYS 22 HZ2 -0.0059 -0.0112 0.0036 305 LYS 22 HZ3 -0.0064 -0.0094 0.0049 306 LYS 22 C -0.0097 0.0053 0.0153 307 LYS 22 O -0.0093 0.0079 0.0141 308 THR 23 N -0.0084 0.0001 0.0158 309 THR 23 HN -0.0078 0.0006 0.0153 310 THR 23 CA -0.0072 0.0001 0.0146 311 THR 23 HA -0.0077 -0.0013 0.0150 312 THR 23 CB -0.0052 -0.0005 0.0127 313 THR 23 HB -0.0046 0.0009 0.0123 314 THR 23 OG1 -0.0052 -0.0029 0.0125 315 THR 23 HG1 -0.0039 -0.0030 0.0113 316 THR 23 CG2 -0.0040 -0.0006 0.0115 317 THR 23 HG21 -0.0026 -0.0012 0.0101 318 THR 23 HG22 -0.0037 0.0013 0.0114 319 THR 23 HG23 -0.0046 -0.0019 0.0120 320 THR 23 C -0.0071 0.0027 0.0148 321 THR 23 O -0.0071 0.0046 0.0149 322 HIS 24 N -0.0046 0.0054 0.0122 323 HIS 24 HN -0.0039 0.0044 0.0124 324 HIS 24 CA -0.0049 0.0057 0.0113 325 HIS 24 HA -0.0056 0.0067 0.0110 326 HIS 24 CB -0.0047 0.0055 0.0124 327 HIS 24 HB1 -0.0040 0.0045 0.0128 328 HIS 24 HB2 -0.0052 0.0061 0.0134 329 HIS 24 CD2 -0.0046 0.0053 0.0118 330 HIS 24 HD2 -0.0040 0.0045 0.0125 331 HIS 24 CG -0.0050 0.0058 0.0116 332 HIS 24 NE2 -0.0051 0.0060 0.0109 333 HIS 24 HE2 -0.0051 0.0059 0.0109 334 HIS 24 ND1 -0.0058 0.0069 0.0106 335 HIS 24 HD1 -0.0062 0.0074 0.0102 336 HIS 24 CE1 -0.0058 0.0069 0.0102 337 HIS 24 HE1 -0.0064 0.0076 0.0094 338 HIS 24 C -0.0043 0.0049 0.0098 339 HIS 24 O -0.0034 0.0038 0.0097 340 HIS 25 N -0.0022 0.0041 0.0115 341 HIS 25 HN -0.0049 0.0090 0.0120 342 HIS 25 CA 0.0012 0.0032 0.0048 343 HIS 25 HA 0.0041 -0.0009 0.0029 344 HIS 25 CB 0.0003 0.0097 -0.0008 345 HIS 25 HB1 0.0004 0.0106 -0.0022 346 HIS 25 HB2 0.0027 0.0091 -0.0057 347 HIS 25 CD2 -0.0051 0.0194 0.0003 348 HIS 25 HD2 -0.0033 0.0182 -0.0025 349 HIS 25 CG -0.0040 0.0160 0.0016 350 HIS 25 NE2 -0.0094 0.0251 0.0035 351 HIS 25 HE2 -0.0112 0.0286 0.0037 352 HIS 25 ND1 -0.0074 0.0195 0.0054 353 HIS 25 HD1 -0.0074 0.0182 0.0070 354 HIS 25 CE1 -0.0106 0.0249 0.0065 355 HIS 25 HE1 -0.0138 0.0287 0.0095 356 HIS 25 C 0.0019 0.0012 0.0056 357 HIS 25 O 0.0053 -0.0020 0.0013 358 GLY 26 N 0.0052 -0.0025 0.0021 359 GLY 26 HN 0.0025 -0.0013 0.0044 360 GLY 26 CA 0.0081 -0.0036 -0.0001 361 GLY 26 HA1 0.0118 -0.0052 0.0009 362 GLY 26 HA2 0.0067 -0.0031 0.0016 363 GLY 26 C 0.0078 -0.0034 -0.0060 364 GLY 26 O 0.0044 -0.0020 -0.0086 365 HIS 27 N 0.0181 0.0062 -0.0147 366 HIS 27 HN 0.0279 0.0185 -0.0160 367 HIS 27 CA 0.0199 0.0036 -0.0291 368 HIS 27 HA 0.0312 0.0183 -0.0291 369 HIS 27 CB 0.0079 -0.0090 -0.0204 370 HIS 27 HB1 0.0109 -0.0092 -0.0326 371 HIS 27 HB2 -0.0040 -0.0243 -0.0204 372 HIS 27 CD2 -0.0033 -0.0075 0.0252 373 HIS 27 HD2 -0.0150 -0.0215 0.0287 374 HIS 27 CG 0.0081 -0.0001 0.0042 375 HIS 27 NE2 0.0033 0.0070 0.0425 376 HIS 27 HE2 -0.0016 0.0068 0.0603 377 HIS 27 ND1 0.0215 0.0187 0.0080 378 HIS 27 HD1 0.0316 0.0274 -0.0043 379 HIS 27 CE1 0.0182 0.0224 0.0313 380 HIS 27 HE1 0.0264 0.0363 0.0405 381 HIS 27 C 0.0206 -0.0042 -0.0542 382 HIS 27 O 0.0113 -0.0174 -0.0573 383 HIS 28 N 0.0305 -0.0203 -0.0118 384 HIS 28 HN 0.0306 -0.0262 -0.0151 385 HIS 28 CA 0.0251 -0.0168 0.0006 386 HIS 28 HA 0.0225 -0.0219 0.0033 387 HIS 28 CB 0.0267 -0.0028 0.0044 388 HIS 28 HB1 0.0288 -0.0012 0.0009 389 HIS 28 HB2 0.0223 -0.0012 0.0140 390 HIS 28 CD2 0.0366 0.0167 -0.0060 391 HIS 28 HD2 0.0391 0.0184 -0.0102 392 HIS 28 CG 0.0311 0.0074 0.0005 393 HIS 28 NE2 0.0391 0.0247 -0.0069 394 HIS 28 HE2 0.0431 0.0323 -0.0112 395 HIS 28 ND1 0.0300 0.0098 0.0038 396 HIS 28 HD1 0.0264 0.0049 0.0088 397 HIS 28 CE1 0.0350 0.0201 -0.0010 398 HIS 28 HE1 0.0355 0.0237 -0.0002 399 HIS 28 C 0.0203 -0.0209 0.0083 400 HIS 28 O 0.0148 -0.0230 0.0182 401 ASP 29 N 0.0109 -0.0180 -0.0016 402 ASP 29 HN 0.0130 -0.0160 -0.0062 403 ASP 29 CA 0.0100 -0.0187 0.0011 404 ASP 29 HA 0.0101 -0.0161 0.0065 405 ASP 29 CB 0.0128 -0.0152 -0.0037 406 ASP 29 HB1 0.0122 -0.0156 -0.0018 407 ASP 29 HB2 0.0129 -0.0174 -0.0094 408 ASP 29 CG 0.0164 -0.0078 -0.0035 409 ASP 29 OD1 0.0191 -0.0047 -0.0084 410 ASP 29 OD2 0.0167 -0.0051 0.0017 411 ASP 29 C 0.0063 -0.0259 0.0018 412 ASP 29 O 0.0050 -0.0305 -0.0028 413 HIS 30 N -0.0256 -0.0212 -0.0196 414 HIS 30 HN -0.0395 -0.0072 -0.0112 415 HIS 30 CA -0.0213 -0.0472 -0.0053 416 HIS 30 HA -0.0064 -0.0579 -0.0176 417 HIS 30 CB -0.0350 -0.0461 0.0129 418 HIS 30 HB1 -0.0309 -0.0662 0.0229 419 HIS 30 HB2 -0.0503 -0.0363 0.0265 420 HIS 30 CD2 -0.0487 -0.0081 0.0023 421 HIS 30 HD2 -0.0636 0.0044 0.0132 422 HIS 30 CG -0.0344 -0.0310 0.0003 423 HIS 30 NE2 -0.0404 -0.0033 -0.0130 424 HIS 30 HE2 -0.0468 0.0123 -0.0163 425 HIS 30 ND1 -0.0176 -0.0407 -0.0153 426 HIS 30 HD1 -0.0050 -0.0575 -0.0199 427 HIS 30 CE1 -0.0217 -0.0236 -0.0230 428 HIS 30 HE1 -0.0114 -0.0249 -0.0363 429 HIS 30 C -0.0235 -0.0620 0.0094 430 HIS 30 O -0.0365 -0.0515 0.0192 431 HIS 31 N -0.0158 -0.0033 0.0029 432 HIS 31 HN -0.0128 -0.0070 0.0007 433 HIS 31 CA -0.0165 -0.0021 0.0060 434 HIS 31 HA -0.0201 0.0018 0.0044 435 HIS 31 CB -0.0130 -0.0065 0.0028 436 HIS 31 HB1 -0.0129 -0.0062 0.0055 437 HIS 31 HB2 -0.0092 -0.0107 0.0036 438 HIS 31 CD2 -0.0130 -0.0085 -0.0110 439 HIS 31 HD2 -0.0109 -0.0109 -0.0113 440 HIS 31 CG -0.0143 -0.0062 -0.0051 441 HIS 31 NE2 -0.0149 -0.0072 -0.0169 442 HIS 31 HE2 -0.0148 -0.0081 -0.0221 443 HIS 31 ND1 -0.0169 -0.0036 -0.0073 444 HIS 31 HD1 -0.0183 -0.0016 -0.0041 445 HIS 31 CE1 -0.0172 -0.0042 -0.0144 446 HIS 31 HE1 -0.0191 -0.0027 -0.0179 447 HIS 31 C -0.0155 -0.0020 0.0141 448 HIS 31 O -0.0129 -0.0044 0.0179 449 THR 32 N -0.0100 0.0100 0.0168 450 THR 32 HN -0.0109 0.0102 0.0166 451 THR 32 CA -0.0092 0.0118 0.0160 452 THR 32 HA -0.0077 0.0115 0.0163 453 THR 32 CB -0.0090 0.0135 0.0151 454 THR 32 HB -0.0106 0.0139 0.0147 455 THR 32 OG1 -0.0075 0.0131 0.0155 456 THR 32 HG1 -0.0077 0.0117 0.0162 457 THR 32 CG2 -0.0080 0.0153 0.0143 458 THR 32 HG21 -0.0077 0.0166 0.0136 459 THR 32 HG22 -0.0090 0.0159 0.0139 460 THR 32 HG23 -0.0063 0.0150 0.0146 461 THR 32 C -0.0107 0.0123 0.0156 462 THR 32 O -0.0126 0.0125 0.0152 463 HIS 33 N -0.0091 0.0180 0.0227 464 HIS 33 HN -0.0078 0.0184 0.0243 465 HIS 33 CA -0.0074 0.0164 0.0233 466 HIS 33 HA -0.0089 0.0156 0.0211 467 HIS 33 CB -0.0041 0.0128 0.0241 468 HIS 33 HB1 -0.0027 0.0117 0.0248 469 HIS 33 HB2 -0.0024 0.0135 0.0264 470 HIS 33 CD2 -0.0072 0.0092 0.0178 471 HIS 33 HD2 -0.0098 0.0112 0.0166 472 HIS 33 CG -0.0045 0.0095 0.0211 473 HIS 33 NE2 -0.0061 0.0056 0.0162 474 HIS 33 HE2 -0.0075 0.0045 0.0138 475 HIS 33 ND1 -0.0017 0.0063 0.0215 476 HIS 33 HD1 0.0007 0.0057 0.0237 477 HIS 33 CE1 -0.0028 0.0040 0.0186 478 HIS 33 HE1 -0.0012 0.0012 0.0181 479 HIS 33 C -0.0068 0.0195 0.0263 480 HIS 33 O -0.0055 0.0212 0.0291 481 PHE 34 N -0.0033 0.0116 0.0153 482 PHE 34 HN -0.0047 0.0110 0.0150 483 PHE 34 CA -0.0030 0.0133 0.0143 484 PHE 34 HA -0.0015 0.0140 0.0147 485 PHE 34 CB -0.0041 0.0144 0.0128 486 PHE 34 HB1 -0.0039 0.0156 0.0120 487 PHE 34 HB2 -0.0056 0.0137 0.0125 488 PHE 34 CG -0.0035 0.0150 0.0128 489 PHE 34 CD1 -0.0017 0.0163 0.0129 490 PHE 34 HD1 -0.0009 0.0168 0.0130 491 PHE 34 CE1 -0.0012 0.0168 0.0128 492 PHE 34 HE1 0.0001 0.0178 0.0128 493 PHE 34 CZ -0.0023 0.0162 0.0126 494 PHE 34 HZ -0.0019 0.0166 0.0125 495 PHE 34 CD2 -0.0046 0.0143 0.0126 496 PHE 34 HD2 -0.0059 0.0133 0.0126 497 PHE 34 CE2 -0.0040 0.0149 0.0125 498 PHE 34 HE2 -0.0049 0.0143 0.0124 499 PHE 34 C -0.0034 0.0130 0.0143 500 PHE 34 O -0.0049 0.0121 0.0140 501 HIS 35 N -0.0024 0.0136 0.0168 502 HIS 35 HN -0.0005 0.0163 0.0178 503 HIS 35 CA -0.0071 0.0089 0.0177 504 HIS 35 HA -0.0089 0.0064 0.0171 505 HIS 35 CB -0.0100 0.0100 0.0240 506 HIS 35 HB1 -0.0134 0.0065 0.0245 507 HIS 35 HB2 -0.0079 0.0130 0.0250 508 HIS 35 CD2 -0.0082 0.0169 0.0311 509 HIS 35 HD2 -0.0048 0.0204 0.0306 510 HIS 35 CG -0.0109 0.0120 0.0283 511 HIS 35 NE2 -0.0105 0.0169 0.0350 512 HIS 35 HE2 -0.0094 0.0200 0.0375 513 HIS 35 ND1 -0.0150 0.0089 0.0307 514 HIS 35 HD1 -0.0178 0.0052 0.0298 515 HIS 35 CE1 -0.0146 0.0121 0.0346 516 HIS 35 HE1 -0.0173 0.0108 0.0372 517 HIS 35 C -0.0069 0.0060 0.0133 518 HIS 35 O -0.0048 0.0081 0.0128 519 VAL 36 N -0.0054 -0.0008 0.0157 520 VAL 36 HN -0.0070 -0.0003 0.0169 521 VAL 36 CA -0.0056 -0.0020 0.0124 522 VAL 36 HA -0.0032 -0.0025 0.0113 523 VAL 36 CB -0.0068 -0.0024 0.0115 524 VAL 36 HB -0.0092 -0.0019 0.0125 525 VAL 36 CG1 -0.0071 -0.0037 0.0079 526 VAL 36 HG11 -0.0092 -0.0040 0.0069 527 VAL 36 HG12 -0.0048 -0.0042 0.0067 528 VAL 36 HG13 -0.0077 -0.0039 0.0073 529 VAL 36 CG2 -0.0042 -0.0020 0.0127 530 VAL 36 HG21 -0.0018 -0.0025 0.0116 531 VAL 36 HG22 -0.0039 -0.0010 0.0153 532 VAL 36 HG23 -0.0051 -0.0022 0.0121 533 VAL 36 C -0.0081 -0.0025 0.0111 534 VAL 36 O -0.0109 -0.0020 0.0121 535 GLU 37 N -0.0041 -0.0028 0.0057 536 GLU 37 HN -0.0035 -0.0043 0.0061 537 GLU 37 CA -0.0051 -0.0026 0.0037 538 GLU 37 HA -0.0056 -0.0010 0.0034 539 GLU 37 CB -0.0054 -0.0039 0.0023 540 GLU 37 HB1 -0.0049 -0.0056 0.0025 541 GLU 37 HB2 -0.0053 -0.0035 0.0028 542 GLU 37 CG -0.0065 -0.0035 0.0001 543 GLU 37 HG1 -0.0070 -0.0019 -0.0000 544 GLU 37 HG2 -0.0067 -0.0041 -0.0005 545 GLU 37 CD -0.0069 -0.0047 -0.0011 546 GLU 37 OE1 -0.0066 -0.0066 -0.0015 547 GLU 37 OE2 -0.0073 -0.0036 -0.0015 548 GLU 37 C -0.0051 -0.0032 0.0034 549 GLU 37 O -0.0044 -0.0048 0.0040 550 ASN 38 N -0.0020 -0.0060 0.0070 551 ASN 38 HN -0.0007 -0.0047 0.0044 552 ASN 38 CA -0.0015 -0.0041 0.0095 553 ASN 38 HA -0.0028 -0.0048 0.0129 554 ASN 38 CB 0.0010 0.0007 0.0099 555 ASN 38 HB1 0.0010 0.0017 0.0125 556 ASN 38 HB2 0.0015 0.0021 0.0112 557 ASN 38 CG 0.0030 0.0024 0.0054 558 ASN 38 OD1 0.0036 0.0020 0.0021 559 ASN 38 ND2 0.0042 0.0044 0.0051 560 ASN 38 HD21 0.0056 0.0055 0.0022 561 ASN 38 HD22 0.0038 0.0048 0.0078 562 ASN 38 C -0.0020 -0.0058 0.0077 563 ASN 38 O -0.0018 -0.0070 0.0037 564 HIS 39 N -0.0011 -0.0033 0.0062 565 HIS 39 HN -0.0012 -0.0024 0.0089 566 HIS 39 CA -0.0015 -0.0055 0.0050 567 HIS 39 HA -0.0010 -0.0049 0.0020 568 HIS 39 CB -0.0027 -0.0098 0.0053 569 HIS 39 HB1 -0.0031 -0.0114 0.0051 570 HIS 39 HB2 -0.0032 -0.0103 0.0081 571 HIS 39 CD2 -0.0029 -0.0121 0.0021 572 HIS 39 HD2 -0.0030 -0.0114 0.0043 573 HIS 39 CG -0.0027 -0.0114 0.0022 574 HIS 39 NE2 -0.0029 -0.0136 -0.0014 575 HIS 39 HE2 -0.0029 -0.0141 -0.0026 576 HIS 39 ND1 -0.0027 -0.0126 -0.0013 577 HIS 39 HD1 -0.0026 -0.0125 -0.0020 578 HIS 39 CE1 -0.0028 -0.0139 -0.0033 579 HIS 39 HE1 -0.0027 -0.0150 -0.0063 580 HIS 39 C -0.0015 -0.0043 0.0075 581 HIS 39 O -0.0022 -0.0066 0.0085 582 GLY 40 N 0.0068 0.0145 0.0110 583 GLY 40 HN 0.0087 0.0120 0.0099 584 GLY 40 CA 0.0040 0.0234 0.0139 585 GLY 40 HA1 0.0047 0.0263 0.0142 586 GLY 40 HA2 0.0076 0.0269 0.0133 587 GLY 40 C -0.0052 0.0236 0.0171 588 GLY 40 O -0.0081 0.0189 0.0171 589 GLY 41 N 0.0022 0.0205 0.0160 590 GLY 41 HN 0.0032 0.0235 0.0181 591 GLY 41 CA -0.0051 0.0215 0.0202 592 GLY 41 HA1 -0.0077 0.0259 0.0252 593 GLY 41 HA2 -0.0021 0.0230 0.0201 594 GLY 41 C -0.0133 0.0145 0.0180 595 GLY 41 O -0.0183 0.0142 0.0200 596 LYS 42 N -0.0089 -0.0033 0.0150 597 LYS 42 HN -0.0091 -0.0033 0.0152 598 LYS 42 CA -0.0103 -0.0033 0.0135 599 LYS 42 HA -0.0096 -0.0034 0.0130 600 LYS 42 CB -0.0124 -0.0033 0.0143 601 LYS 42 HB1 -0.0135 -0.0033 0.0130 602 LYS 42 HB2 -0.0129 -0.0032 0.0152 603 LYS 42 CG -0.0126 -0.0032 0.0157 604 LYS 42 HG1 -0.0115 -0.0032 0.0170 605 LYS 42 HG2 -0.0119 -0.0033 0.0147 606 LYS 42 CD -0.0147 -0.0031 0.0163 607 LYS 42 HD1 -0.0147 -0.0031 0.0170 608 LYS 42 HD2 -0.0157 -0.0032 0.0149 609 LYS 42 CE -0.0158 -0.0031 0.0178 610 LYS 42 HE1 -0.0174 -0.0030 0.0182 611 LYS 42 HE2 -0.0158 -0.0031 0.0172 612 LYS 42 NZ -0.0147 -0.0030 0.0198 613 LYS 42 HZ1 -0.0154 -0.0029 0.0209 614 LYS 42 HZ2 -0.0145 -0.0030 0.0203 615 LYS 42 HZ3 -0.0132 -0.0030 0.0196 616 LYS 42 C -0.0102 -0.0034 0.0115 617 LYS 42 O -0.0101 -0.0034 0.0116 618 VAL 43 N -0.0083 -0.0051 0.0081 619 VAL 43 HN -0.0084 -0.0051 0.0081 620 VAL 43 CA -0.0082 -0.0052 0.0081 621 VAL 43 HA -0.0082 -0.0052 0.0081 622 VAL 43 CB -0.0083 -0.0053 0.0081 623 VAL 43 HB -0.0083 -0.0054 0.0081 624 VAL 43 CG1 -0.0084 -0.0053 0.0081 625 VAL 43 HG11 -0.0085 -0.0054 0.0081 626 VAL 43 HG12 -0.0083 -0.0052 0.0081 627 VAL 43 HG13 -0.0085 -0.0052 0.0081 628 VAL 43 CG2 -0.0085 -0.0054 0.0081 629 VAL 43 HG21 -0.0085 -0.0054 0.0081 630 VAL 43 HG22 -0.0085 -0.0053 0.0081 631 VAL 43 HG23 -0.0084 -0.0054 0.0081 632 VAL 43 C -0.0082 -0.0053 0.0081 633 VAL 43 O -0.0082 -0.0052 0.0081 634 ALA 44 N -0.0018 -0.0090 0.0050 635 ALA 44 HN -0.0025 -0.0082 0.0047 636 ALA 44 CA -0.0014 -0.0098 0.0050 637 ALA 44 HA -0.0007 -0.0107 0.0053 638 ALA 44 CB -0.0020 -0.0101 0.0037 639 ALA 44 HB1 -0.0021 -0.0107 0.0029 640 ALA 44 HB2 -0.0026 -0.0093 0.0034 641 ALA 44 HB3 -0.0016 -0.0108 0.0037 642 ALA 44 C -0.0012 -0.0090 0.0060 643 ALA 44 O -0.0018 -0.0078 0.0062 644 LEU 45 N 0.0012 0.0004 0.0019 645 LEU 45 HN 0.0023 0.0003 0.0012 646 LEU 45 CA 0.0010 0.0000 0.0037 647 LEU 45 HA -0.0004 0.0002 0.0042 648 LEU 45 CB 0.0014 -0.0001 0.0040 649 LEU 45 HB1 0.0014 -0.0004 0.0055 650 LEU 45 HB2 0.0028 -0.0002 0.0035 651 LEU 45 CG 0.0001 0.0003 0.0031 652 LEU 45 HG 0.0002 0.0006 0.0017 653 LEU 45 CD1 0.0008 0.0001 0.0034 654 LEU 45 HD11 -0.0001 0.0004 0.0027 655 LEU 45 HD12 0.0022 0.0000 0.0028 656 LEU 45 HD13 0.0008 -0.0002 0.0048 657 LEU 45 CD2 -0.0018 0.0005 0.0039 658 LEU 45 HD21 -0.0018 0.0002 0.0053 659 LEU 45 HD22 -0.0025 0.0007 0.0031 660 LEU 45 HD23 -0.0025 0.0006 0.0038 661 LEU 45 C 0.0023 -0.0004 0.0047 662 LEU 45 O 0.0039 -0.0006 0.0043 663 LYS 46 N 0.0037 0.0040 0.0016 664 LYS 46 HN 0.0018 0.0060 0.0024 665 LYS 46 CA 0.0046 0.0032 0.0019 666 LYS 46 HA 0.0070 0.0010 0.0017 667 LYS 46 CB 0.0027 0.0038 -0.0014 668 LYS 46 HB1 0.0027 0.0028 -0.0042 669 LYS 46 HB2 0.0039 0.0027 -0.0014 670 LYS 46 CG -0.0006 0.0069 -0.0011 671 LYS 46 HG1 -0.0006 0.0078 0.0015 672 LYS 46 HG2 -0.0018 0.0081 -0.0008 673 LYS 46 CD -0.0022 0.0071 -0.0048 674 LYS 46 HD1 -0.0024 0.0064 -0.0072 675 LYS 46 HD2 -0.0008 0.0056 -0.0053 676 LYS 46 CE -0.0054 0.0100 -0.0047 677 LYS 46 HE1 -0.0053 0.0107 -0.0025 678 LYS 46 HE2 -0.0069 0.0115 -0.0042 679 LYS 46 NZ -0.0068 0.0099 -0.0085 680 LYS 46 HZ1 -0.0077 0.0100 -0.0104 681 LYS 46 HZ2 -0.0086 0.0115 -0.0084 682 LYS 46 HZ3 -0.0052 0.0080 -0.0097 683 LYS 46 C 0.0046 0.0047 0.0058 684 LYS 46 O 0.0029 0.0069 0.0079 685 THR 47 N 0.0015 0.0141 0.0011 686 THR 47 HN 0.0031 0.0125 -0.0005 687 THR 47 CA 0.0013 0.0137 0.0042 688 THR 47 HA 0.0001 0.0146 0.0065 689 THR 47 CB 0.0037 0.0105 0.0054 690 THR 47 HB 0.0034 0.0103 0.0081 691 THR 47 OG1 0.0054 0.0091 0.0028 692 THR 47 HG1 0.0068 0.0071 0.0037 693 THR 47 CG2 0.0050 0.0088 0.0060 694 THR 47 HG21 0.0055 0.0088 0.0034 695 THR 47 HG22 0.0067 0.0066 0.0071 696 THR 47 HG23 0.0038 0.0098 0.0080 697 THR 47 C 0.0001 0.0153 0.0034 698 THR 47 O -0.0003 0.0164 0.0003 699 HIS 48 N -0.0082 0.0208 0.0181 700 HIS 48 HN -0.0075 0.0196 0.0223 701 HIS 48 CA -0.0104 0.0209 0.0219 702 HIS 48 HA -0.0158 0.0236 0.0196 703 HIS 48 CB -0.0114 0.0191 0.0312 704 HIS 48 HB1 -0.0160 0.0207 0.0328 705 HIS 48 HB2 -0.0133 0.0192 0.0342 706 HIS 48 CD2 0.0001 0.0123 0.0402 707 HIS 48 HD2 -0.0004 0.0120 0.0428 708 HIS 48 CG -0.0043 0.0153 0.0350 709 HIS 48 NE2 0.0058 0.0096 0.0420 710 HIS 48 HE2 0.0098 0.0070 0.0459 711 HIS 48 ND1 -0.0016 0.0145 0.0335 712 HIS 48 HD1 -0.0038 0.0163 0.0300 713 HIS 48 CE1 0.0045 0.0111 0.0378 714 HIS 48 HE1 0.0080 0.0095 0.0381 715 HIS 48 C -0.0045 0.0189 0.0198 716 HIS 48 O -0.0065 0.0198 0.0195 717 CYS 49 N 0.0101 0.0142 -0.0127 718 CYS 49 HN 0.0063 0.0078 0.0021 719 CYS 49 CA 0.0174 -0.0007 -0.0342 720 CYS 49 HA 0.0206 0.0038 -0.0463 721 CYS 49 CB 0.0173 -0.0291 -0.0267 722 CYS 49 HB1 0.0145 -0.0339 -0.0158 723 CYS 49 HB2 0.0140 -0.0315 -0.0147 724 CYS 49 SG 0.0262 -0.0505 -0.0520 725 CYS 49 HG1 0.0293 -0.0385 -0.0656 726 CYS 49 C 0.0210 0.0049 -0.0477 727 CYS 49 O 0.0272 -0.0059 -0.0665 728 GLY 50 N 0.0094 0.0071 -0.0124 729 GLY 50 HN 0.0095 0.0102 -0.0075 730 GLY 50 CA 0.0093 0.0083 -0.0159 731 GLY 50 HA1 0.0091 0.0091 -0.0222 732 GLY 50 HA2 0.0094 0.0134 -0.0130 733 GLY 50 C 0.0093 0.0016 -0.0146 734 GLY 50 O 0.0092 0.0007 -0.0188 735 LYS 51 N 0.0161 0.0057 -0.0203 736 LYS 51 HN 0.0164 0.0062 -0.0201 737 LYS 51 CA 0.0132 0.0016 -0.0170 738 LYS 51 HA 0.0125 0.0006 -0.0189 739 LYS 51 CB 0.0100 -0.0030 -0.0172 740 LYS 51 HB1 0.0078 -0.0061 -0.0149 741 LYS 51 HB2 0.0106 -0.0021 -0.0146 742 LYS 51 CG 0.0090 -0.0047 -0.0236 743 LYS 51 HG1 0.0070 -0.0075 -0.0231 744 LYS 51 HG2 0.0112 -0.0016 -0.0262 745 LYS 51 CD 0.0074 -0.0071 -0.0272 746 LYS 51 HD1 0.0093 -0.0044 -0.0274 747 LYS 51 HD2 0.0051 -0.0104 -0.0246 748 LYS 51 CE 0.0065 -0.0086 -0.0336 749 LYS 51 HE1 0.0050 -0.0108 -0.0334 750 LYS 51 HE2 0.0089 -0.0053 -0.0364 751 LYS 51 NZ 0.0044 -0.0119 -0.0365 752 LYS 51 HZ1 0.0040 -0.0126 -0.0410 753 LYS 51 HZ2 0.0020 -0.0152 -0.0342 754 LYS 51 HZ3 0.0055 -0.0102 -0.0363 755 LYS 51 C 0.0142 0.0034 -0.0105 756 LYS 51 O 0.0158 0.0058 -0.0078 757 TYR 52 N 0.0095 -0.0035 -0.0053 758 TYR 52 HN 0.0085 -0.0035 -0.0049 759 TYR 52 CA 0.0105 -0.0055 -0.0060 760 TYR 52 HA 0.0109 -0.0057 -0.0062 761 TYR 52 CB 0.0091 -0.0075 -0.0056 762 TYR 52 HB1 0.0099 -0.0089 -0.0062 763 TYR 52 HB2 0.0083 -0.0072 -0.0052 764 TYR 52 CG 0.0075 -0.0079 -0.0050 765 TYR 52 CD1 0.0059 -0.0067 -0.0041 766 TYR 52 HD1 0.0057 -0.0053 -0.0039 767 TYR 52 CE1 0.0045 -0.0071 -0.0036 768 TYR 52 HE1 0.0032 -0.0061 -0.0029 769 TYR 52 CZ 0.0046 -0.0089 -0.0039 770 TYR 52 OH 0.0032 -0.0093 -0.0033 771 TYR 52 HH 0.0035 -0.0107 -0.0036 772 TYR 52 CD2 0.0077 -0.0097 -0.0053 773 TYR 52 HD2 0.0089 -0.0107 -0.0060 774 TYR 52 CE2 0.0062 -0.0102 -0.0048 775 TYR 52 HE2 0.0064 -0.0116 -0.0050 776 TYR 52 C 0.0123 -0.0056 -0.0068 777 TYR 52 O 0.0123 -0.0050 -0.0067 778 LEU 53 N 0.0048 0.0039 -0.0058 779 LEU 53 HN 0.0041 0.0047 -0.0056 780 LEU 53 CA 0.0059 0.0031 -0.0052 781 LEU 53 HA 0.0066 0.0027 -0.0048 782 LEU 53 CB 0.0061 0.0038 -0.0040 783 LEU 53 HB1 0.0069 0.0031 -0.0038 784 LEU 53 HB2 0.0053 0.0044 -0.0043 785 LEU 53 CG 0.0064 0.0046 -0.0026 786 LEU 53 HG 0.0071 0.0040 -0.0024 787 LEU 53 CD1 0.0053 0.0058 -0.0025 788 LEU 53 HD11 0.0055 0.0063 -0.0014 789 LEU 53 HD12 0.0049 0.0056 -0.0033 790 LEU 53 HD13 0.0045 0.0064 -0.0027 791 LEU 53 CD2 0.0069 0.0049 -0.0014 792 LEU 53 HD21 0.0078 0.0041 -0.0013 793 LEU 53 HD22 0.0071 0.0055 -0.0003 794 LEU 53 HD23 0.0062 0.0055 -0.0015 795 LEU 53 C 0.0061 0.0020 -0.0064 796 LEU 53 O 0.0053 0.0022 -0.0073 797 SER 54 N 0.0095 0.0003 -0.0083 798 SER 54 HN 0.0095 0.0012 -0.0087 799 SER 54 CA 0.0094 0.0002 -0.0080 800 SER 54 HA 0.0095 -0.0009 -0.0078 801 SER 54 CB 0.0087 0.0009 -0.0067 802 SER 54 HB1 0.0086 0.0021 -0.0069 803 SER 54 HB2 0.0084 0.0005 -0.0059 804 SER 54 OG 0.0085 0.0008 -0.0064 805 SER 54 HG1 0.0085 -0.0001 -0.0060 806 SER 54 C 0.0098 0.0009 -0.0091 807 SER 54 O 0.0100 0.0018 -0.0098 808 ILE 55 N 0.0067 0.0052 -0.0064 809 ILE 55 HN 0.0068 0.0054 -0.0064 810 ILE 55 CA 0.0065 0.0054 -0.0065 811 ILE 55 HA 0.0064 0.0052 -0.0065 812 ILE 55 CB 0.0063 0.0055 -0.0065 813 ILE 55 HB 0.0063 0.0057 -0.0064 814 ILE 55 CG2 0.0062 0.0053 -0.0065 815 ILE 55 HG21 0.0062 0.0051 -0.0066 816 ILE 55 HG22 0.0064 0.0053 -0.0065 817 ILE 55 HG23 0.0061 0.0054 -0.0066 818 ILE 55 CG1 0.0060 0.0056 -0.0066 819 ILE 55 HG11 0.0060 0.0057 -0.0065 820 ILE 55 HG12 0.0059 0.0056 -0.0066 821 ILE 55 CD 0.0059 0.0053 -0.0066 822 ILE 55 HD1 0.0060 0.0053 -0.0066 823 ILE 55 HD2 0.0059 0.0051 -0.0066 824 ILE 55 HD3 0.0057 0.0054 -0.0067 825 ILE 55 C 0.0065 0.0055 -0.0064 826 ILE 55 O 0.0064 0.0056 -0.0064 827 GLY 56 N 0.0096 0.0091 -0.0141 828 GLY 56 HN 0.0102 0.0071 -0.0129 829 GLY 56 CA 0.0102 0.0121 -0.0123 830 GLY 56 HA1 0.0101 0.0124 -0.0124 831 GLY 56 HA2 0.0112 0.0116 -0.0101 832 GLY 56 C 0.0095 0.0152 -0.0132 833 GLY 56 O 0.0092 0.0154 -0.0140 834 ASP 57 N 0.0067 0.0270 -0.0217 835 ASP 57 HN -0.0003 0.0338 -0.0293 836 ASP 57 CA -0.0006 0.0204 -0.0130 837 ASP 57 HA 0.0027 0.0118 -0.0030 838 ASP 57 CB -0.0203 0.0227 -0.0138 839 ASP 57 HB1 -0.0264 0.0179 -0.0073 840 ASP 57 HB2 -0.0238 0.0315 -0.0241 841 ASP 57 CG -0.0285 0.0199 -0.0095 842 ASP 57 OD1 -0.0198 0.0143 -0.0037 843 ASP 57 OD2 -0.0439 0.0230 -0.0117 844 ASP 57 C 0.0055 0.0231 -0.0170 845 ASP 57 O -0.0016 0.0199 -0.0124 846 HIS 58 N -0.0179 0.0054 0.0006 847 HIS 58 HN -0.0154 0.0065 -0.0004 848 HIS 58 CA -0.0177 0.0061 -0.0004 849 HIS 58 HA -0.0186 0.0044 0.0022 850 HIS 58 CB -0.0215 0.0075 -0.0042 851 HIS 58 HB1 -0.0210 0.0091 -0.0068 852 HIS 58 HB2 -0.0251 0.0062 -0.0032 853 HIS 58 CD2 -0.0213 0.0110 -0.0101 854 HIS 58 HD2 -0.0211 0.0127 -0.0129 855 HIS 58 CG -0.0214 0.0086 -0.0061 856 HIS 58 NE2 -0.0214 0.0110 -0.0101 857 HIS 58 HE2 -0.0216 0.0124 -0.0127 858 HIS 58 ND1 -0.0216 0.0071 -0.0035 859 HIS 58 HD1 -0.0218 0.0053 -0.0004 860 HIS 58 CE1 -0.0217 0.0086 -0.0061 861 HIS 58 HE1 -0.0219 0.0080 -0.0051 862 HIS 58 C -0.0127 0.0076 -0.0013 863 HIS 58 O -0.0094 0.0084 -0.0016 864 LYS 59 N -0.0126 0.0034 0.0008 865 LYS 59 HN -0.0129 0.0046 0.0007 866 LYS 59 CA -0.0023 0.0055 -0.0010 867 LYS 59 HA -0.0006 -0.0015 -0.0003 868 LYS 59 CB 0.0070 0.0068 -0.0026 869 LYS 59 HB1 0.0145 0.0091 -0.0040 870 LYS 59 HB2 0.0048 0.0138 -0.0032 871 LYS 59 CG 0.0095 -0.0033 -0.0015 872 LYS 59 HG1 0.0167 -0.0016 -0.0028 873 LYS 59 HG2 0.0026 -0.0044 -0.0003 874 LYS 59 CD 0.0110 -0.0140 -0.0003 875 LYS 59 HD1 0.0136 -0.0205 0.0003 876 LYS 59 HD2 0.0030 -0.0163 0.0013 877 LYS 59 CE 0.0190 -0.0138 -0.0015 878 LYS 59 HE1 0.0198 -0.0221 -0.0004 879 LYS 59 HE2 0.0160 -0.0082 -0.0018 880 LYS 59 NZ 0.0298 -0.0103 -0.0036 881 LYS 59 HZ1 0.0327 -0.0150 -0.0034 882 LYS 59 HZ2 0.0294 -0.0022 -0.0047 883 LYS 59 HZ3 0.0352 -0.0109 -0.0043 884 LYS 59 C -0.0021 0.0151 -0.0024 885 LYS 59 O 0.0037 0.0146 -0.0032 886 GLN 60 N -0.0021 0.0090 -0.0066 887 GLN 60 HN -0.0021 0.0075 -0.0074 888 GLN 60 CA -0.0019 0.0098 -0.0071 889 GLN 60 HA -0.0020 0.0110 -0.0056 890 GLN 60 CB -0.0021 0.0076 -0.0074 891 GLN 60 HB1 -0.0020 0.0084 -0.0076 892 GLN 60 HB2 -0.0019 0.0066 -0.0091 893 GLN 60 CG -0.0025 0.0058 -0.0053 894 GLN 60 HG1 -0.0026 0.0045 -0.0054 895 GLN 60 HG2 -0.0026 0.0046 -0.0054 896 GLN 60 CD -0.0028 0.0069 -0.0027 897 GLN 60 OE1 -0.0030 0.0070 -0.0015 898 GLN 60 NE2 -0.0029 0.0078 -0.0018 899 GLN 60 HE21 -0.0027 0.0078 -0.0029 900 GLN 60 HE22 -0.0030 0.0084 -0.0001 901 GLN 60 C -0.0015 0.0113 -0.0094 902 GLN 60 O -0.0013 0.0108 -0.0111 903 VAL 61 N 0.0014 0.0059 -0.0059 904 VAL 61 HN 0.0012 0.0060 -0.0053 905 VAL 61 CA 0.0024 0.0071 -0.0070 906 VAL 61 HA 0.0026 0.0077 -0.0067 907 VAL 61 CB 0.0029 0.0082 -0.0068 908 VAL 61 HB 0.0027 0.0076 -0.0069 909 VAL 61 CG1 0.0040 0.0094 -0.0080 910 VAL 61 HG11 0.0042 0.0099 -0.0080 911 VAL 61 HG12 0.0043 0.0102 -0.0078 912 VAL 61 HG13 0.0041 0.0088 -0.0093 913 VAL 61 CG2 0.0028 0.0091 -0.0051 914 VAL 61 HG21 0.0031 0.0100 -0.0049 915 VAL 61 HG22 0.0030 0.0097 -0.0049 916 VAL 61 HG23 0.0020 0.0084 -0.0042 917 VAL 61 C 0.0027 0.0064 -0.0088 918 VAL 61 O 0.0024 0.0053 -0.0094 919 TYR 62 N 0.0053 0.0104 -0.0204 920 TYR 62 HN 0.0063 0.0101 -0.0188 921 TYR 62 CA 0.0050 0.0108 -0.0196 922 TYR 62 HA 0.0035 0.0114 -0.0212 923 TYR 62 CB 0.0043 0.0120 -0.0163 924 TYR 62 HB1 0.0059 0.0113 -0.0145 925 TYR 62 HB2 0.0027 0.0131 -0.0160 926 TYR 62 CG 0.0031 0.0129 -0.0158 927 TYR 62 CD1 0.0046 0.0123 -0.0141 928 TYR 62 HD1 0.0066 0.0112 -0.0131 929 TYR 62 CE1 0.0036 0.0131 -0.0138 930 TYR 62 HE1 0.0047 0.0126 -0.0125 931 TYR 62 CZ 0.0010 0.0144 -0.0151 932 TYR 62 OH -0.0000 0.0152 -0.0148 933 TYR 62 HH -0.0013 0.0156 -0.0166 934 TYR 62 CD2 0.0006 0.0143 -0.0171 935 TYR 62 HD2 -0.0006 0.0147 -0.0184 936 TYR 62 CE2 -0.0005 0.0150 -0.0168 937 TYR 62 HE2 -0.0025 0.0161 -0.0178 938 TYR 62 C 0.0076 0.0090 -0.0199 939 TYR 62 O 0.0098 0.0077 -0.0195 940 LEU 63 N 0.0081 0.0047 -0.0151 941 LEU 63 HN 0.0078 0.0032 -0.0154 942 LEU 63 CA 0.0094 0.0050 -0.0163 943 LEU 63 HA 0.0096 0.0067 -0.0159 944 LEU 63 CB 0.0090 0.0032 -0.0165 945 LEU 63 HB1 0.0093 0.0015 -0.0174 946 LEU 63 HB2 0.0076 0.0028 -0.0153 947 LEU 63 CG 0.0100 0.0039 -0.0172 948 LEU 63 HG 0.0114 0.0046 -0.0182 949 LEU 63 CD1 0.0092 0.0057 -0.0158 950 LEU 63 HD11 0.0078 0.0051 -0.0147 951 LEU 63 HD12 0.0099 0.0062 -0.0163 952 LEU 63 HD13 0.0093 0.0073 -0.0154 953 LEU 63 CD2 0.0099 0.0018 -0.0178 954 LEU 63 HD21 0.0105 0.0023 -0.0182 955 LEU 63 HD22 0.0085 0.0009 -0.0168 956 LEU 63 HD23 0.0106 0.0006 -0.0189 957 LEU 63 C 0.0111 0.0048 -0.0179 958 LEU 63 O 0.0112 0.0031 -0.0186 959 SER 64 N 0.0096 0.0009 -0.0142 960 SER 64 HN 0.0117 -0.0010 -0.0145 961 SER 64 CA 0.0078 0.0008 -0.0108 962 SER 64 HA 0.0056 0.0028 -0.0104 963 SER 64 CB 0.0087 -0.0015 -0.0079 964 SER 64 HB1 0.0110 -0.0035 -0.0084 965 SER 64 HB2 0.0083 -0.0010 -0.0082 966 SER 64 OG 0.0072 -0.0019 -0.0044 967 SER 64 HG1 0.0082 -0.0031 -0.0038 968 SER 64 C 0.0080 0.0003 -0.0102 969 SER 64 O 0.0102 -0.0010 -0.0117 970 HIS 65 N 0.0062 0.0063 -0.0172 971 HIS 65 HN 0.0035 0.0132 -0.0143 972 HIS 65 CA 0.0062 0.0013 -0.0074 973 HIS 65 HA 0.0089 -0.0042 -0.0124 974 HIS 65 CB 0.0014 0.0120 -0.0001 975 HIS 65 HB1 -0.0015 0.0176 0.0055 976 HIS 65 HB2 0.0004 0.0188 -0.0075 977 HIS 65 CD2 -0.0009 0.0064 0.0232 978 HIS 65 HD2 -0.0032 0.0098 0.0301 979 HIS 65 CG 0.0014 0.0068 0.0096 980 HIS 65 NE2 0.0005 0.0002 0.0271 981 HIS 65 HE2 -0.0004 -0.0021 0.0365 982 HIS 65 ND1 0.0041 0.0011 0.0048 983 HIS 65 HD1 0.0061 0.0002 -0.0048 984 HIS 65 CE1 0.0035 -0.0028 0.0157 985 HIS 65 HE1 0.0053 -0.0082 0.0159 986 HIS 65 C 0.0075 -0.0079 0.0026 987 HIS 65 O 0.0050 -0.0042 0.0100 988 HIS 66 N -0.0020 -0.0068 -0.0091 989 HIS 66 HN 0.0017 -0.0014 -0.0141 990 HIS 66 CA 0.0008 -0.0165 -0.0030 991 HIS 66 HA 0.0067 -0.0153 -0.0057 992 HIS 66 CB -0.0101 -0.0199 0.0030 993 HIS 66 HB1 -0.0073 -0.0271 0.0072 994 HIS 66 HB2 -0.0166 -0.0212 0.0060 995 HIS 66 CD2 -0.0279 -0.0101 0.0017 996 HIS 66 HD2 -0.0353 -0.0133 0.0063 997 HIS 66 CG -0.0162 -0.0125 -0.0004 998 HIS 66 NE2 -0.0286 -0.0029 -0.0032 999 HIS 66 HE2 -0.0359 -0.0002 -0.0029 1000 HIS 66 ND1 -0.0097 -0.0068 -0.0065 1001 HIS 66 HD1 -0.0009 -0.0070 -0.0093 1002 HIS 66 CE1 -0.0175 -0.0013 -0.0080 1003 HIS 66 HE1 -0.0153 0.0041 -0.0126 1004 HIS 66 C 0.0083 -0.0247 0.0005 1005 HIS 66 O 0.0109 -0.0231 -0.0015 1006 LEU 67 N 0.0045 -0.0184 0.0066 1007 LEU 67 HN 0.0041 -0.0188 0.0071 1008 LEU 67 CA 0.0047 -0.0187 0.0057 1009 LEU 67 HA 0.0050 -0.0185 0.0052 1010 LEU 67 CB 0.0042 -0.0198 0.0054 1011 LEU 67 HB1 0.0039 -0.0200 0.0059 1012 LEU 67 HB2 0.0040 -0.0199 0.0056 1013 LEU 67 CG 0.0044 -0.0202 0.0044 1014 LEU 67 HG 0.0044 -0.0202 0.0042 1015 LEU 67 CD1 0.0049 -0.0197 0.0036 1016 LEU 67 HD11 0.0053 -0.0191 0.0036 1017 LEU 67 HD12 0.0049 -0.0197 0.0038 1018 LEU 67 HD13 0.0050 -0.0201 0.0029 1019 LEU 67 CD2 0.0038 -0.0212 0.0042 1020 LEU 67 HD21 0.0039 -0.0215 0.0035 1021 LEU 67 HD22 0.0038 -0.0212 0.0043 1022 LEU 67 HD23 0.0034 -0.0215 0.0047 1023 LEU 67 C 0.0050 -0.0183 0.0054 1024 LEU 67 O 0.0048 -0.0185 0.0057 1025 HIS 68 N 0.0075 -0.0173 0.0191 1026 HIS 68 HN 0.0077 -0.0169 0.0153 1027 HIS 68 CA 0.0089 -0.0108 0.0167 1028 HIS 68 HA 0.0093 -0.0078 0.0233 1029 HIS 68 CB 0.0107 -0.0030 0.0106 1030 HIS 68 HB1 0.0104 -0.0057 0.0038 1031 HIS 68 HB2 0.0112 0.0003 0.0142 1032 HIS 68 CD2 0.0134 0.0089 0.0008 1033 HIS 68 HD2 0.0135 0.0079 -0.0062 1034 HIS 68 CG 0.0123 0.0045 0.0088 1035 HIS 68 NE2 0.0146 0.0151 0.0033 1036 HIS 68 HE2 0.0155 0.0187 -0.0010 1037 HIS 68 ND1 0.0127 0.0078 0.0162 1038 HIS 68 HD1 0.0121 0.0058 0.0228 1039 HIS 68 CE1 0.0141 0.0141 0.0125 1040 HIS 68 HE1 0.0148 0.0182 0.0162 1041 HIS 68 C 0.0081 -0.0152 0.0123 1042 HIS 68 O 0.0070 -0.0219 0.0070 1043 GLY 69 N 0.0002 -0.0130 0.0251 1044 GLY 69 HN 0.0012 -0.0042 0.0307 1045 GLY 69 CA -0.0007 -0.0213 0.0199 1046 GLY 69 HA1 -0.0010 -0.0175 0.0252 1047 GLY 69 HA2 -0.0039 -0.0320 0.0215 1048 GLY 69 C 0.0030 -0.0203 0.0047 1049 GLY 69 O 0.0021 -0.0306 -0.0030 1050 ASP 70 N 0.0135 -0.0047 -0.0046 1051 ASP 70 HN 0.0225 -0.0015 0.0031 1052 ASP 70 CA 0.0148 -0.0018 -0.0167 1053 ASP 70 HA 0.0097 -0.0024 -0.0283 1054 ASP 70 CB 0.0312 0.0069 -0.0192 1055 ASP 70 HB1 0.0323 0.0094 -0.0300 1056 ASP 70 HB2 0.0367 0.0077 -0.0084 1057 ASP 70 CG 0.0391 0.0114 -0.0222 1058 ASP 70 OD1 0.0355 0.0119 -0.0352 1059 ASP 70 OD2 0.0484 0.0141 -0.0109 1060 ASP 70 C 0.0069 -0.0066 -0.0125 1061 ASP 70 O 0.0052 -0.0100 0.0018 1062 HIS 71 N 0.0011 -0.0069 -0.0060 1063 HIS 71 HN 0.0013 -0.0077 -0.0067 1064 HIS 71 CA 0.0021 -0.0068 -0.0072 1065 HIS 71 HA 0.0021 -0.0084 -0.0080 1066 HIS 71 CB 0.0037 -0.0054 -0.0084 1067 HIS 71 HB1 0.0045 -0.0054 -0.0093 1068 HIS 71 HB2 0.0038 -0.0038 -0.0076 1069 HIS 71 CD2 0.0047 -0.0051 -0.0093 1070 HIS 71 HD2 0.0047 -0.0035 -0.0086 1071 HIS 71 CG 0.0043 -0.0061 -0.0094 1072 HIS 71 NE2 0.0050 -0.0064 -0.0104 1073 HIS 71 HE2 0.0054 -0.0062 -0.0107 1074 HIS 71 ND1 0.0044 -0.0081 -0.0105 1075 HIS 71 HD1 0.0042 -0.0091 -0.0108 1076 HIS 71 CE1 0.0049 -0.0082 -0.0111 1077 HIS 71 HE1 0.0051 -0.0096 -0.0121 1078 HIS 71 C 0.0016 -0.0063 -0.0064 1079 HIS 71 O 0.0024 -0.0048 -0.0065 1080 SER 72 N 0.0026 -0.0116 -0.0024 1081 SER 72 HN 0.0024 -0.0115 -0.0031 1082 SER 72 CA 0.0018 -0.0126 -0.0006 1083 SER 72 HA 0.0019 -0.0127 -0.0002 1084 SER 72 CB 0.0028 -0.0126 0.0013 1085 SER 72 HB1 0.0022 -0.0134 0.0026 1086 SER 72 HB2 0.0026 -0.0126 0.0010 1087 SER 72 OG 0.0047 -0.0116 0.0016 1088 SER 72 HG1 0.0052 -0.0110 0.0006 1089 SER 72 C -0.0002 -0.0137 -0.0008 1090 SER 72 O -0.0010 -0.0146 0.0007 1091 LEU 73 N -0.0077 -0.0103 0.0043 1092 LEU 73 HN -0.0080 -0.0099 0.0045 1093 LEU 73 CA -0.0073 -0.0109 0.0042 1094 LEU 73 HA -0.0070 -0.0113 0.0041 1095 LEU 73 CB -0.0070 -0.0108 0.0049 1096 LEU 73 HB1 -0.0066 -0.0113 0.0048 1097 LEU 73 HB2 -0.0072 -0.0104 0.0049 1098 LEU 73 CG -0.0067 -0.0106 0.0056 1099 LEU 73 HG -0.0070 -0.0101 0.0057 1100 LEU 73 CD1 -0.0064 -0.0105 0.0062 1101 LEU 73 HD11 -0.0062 -0.0103 0.0067 1102 LEU 73 HD12 -0.0067 -0.0101 0.0062 1103 LEU 73 HD13 -0.0060 -0.0109 0.0062 1104 LEU 73 CD2 -0.0063 -0.0111 0.0056 1105 LEU 73 HD21 -0.0065 -0.0111 0.0052 1106 LEU 73 HD22 -0.0061 -0.0109 0.0062 1107 LEU 73 HD23 -0.0059 -0.0115 0.0056 1108 LEU 73 C -0.0076 -0.0110 0.0036 1109 LEU 73 O -0.0081 -0.0105 0.0036 1110 PHE 74 N -0.0035 -0.0009 0.0003 1111 PHE 74 HN -0.0040 -0.0015 0.0013 1112 PHE 74 CA -0.0040 -0.0011 -0.0003 1113 PHE 74 HA -0.0034 -0.0005 -0.0014 1114 PHE 74 CB -0.0038 -0.0013 0.0011 1115 PHE 74 HB1 -0.0043 -0.0016 0.0007 1116 PHE 74 HB2 -0.0043 -0.0019 0.0022 1117 PHE 74 CG -0.0022 -0.0004 0.0016 1118 PHE 74 CD1 -0.0014 -0.0002 0.0030 1119 PHE 74 HD1 -0.0020 -0.0007 0.0036 1120 PHE 74 CE1 0.0001 0.0006 0.0035 1121 PHE 74 HE1 0.0006 0.0007 0.0045 1122 PHE 74 CZ 0.0008 0.0012 0.0027 1123 PHE 74 HZ 0.0019 0.0018 0.0032 1124 PHE 74 CD2 -0.0015 0.0002 0.0009 1125 PHE 74 HD2 -0.0021 0.0000 -0.0001 1126 PHE 74 CE2 -0.0000 0.0010 0.0014 1127 PHE 74 HE2 0.0006 0.0015 0.0008 1128 PHE 74 C -0.0056 -0.0020 -0.0011 1129 PHE 74 O -0.0065 -0.0026 -0.0008 1130 HIS 75 N -0.0087 0.0006 0.0043 1131 HIS 75 HN -0.0089 0.0017 0.0035 1132 HIS 75 CA -0.0084 -0.0010 0.0035 1133 HIS 75 HA -0.0082 -0.0021 0.0043 1134 HIS 75 CB -0.0084 -0.0010 0.0030 1135 HIS 75 HB1 -0.0086 0.0001 0.0022 1136 HIS 75 HB2 -0.0085 -0.0008 0.0043 1137 HIS 75 CD2 -0.0077 -0.0041 0.0017 1138 HIS 75 HD2 -0.0076 -0.0046 0.0018 1139 HIS 75 CG -0.0080 -0.0026 0.0022 1140 HIS 75 NE2 -0.0075 -0.0050 0.0009 1141 HIS 75 HE2 -0.0073 -0.0062 0.0004 1142 HIS 75 ND1 -0.0080 -0.0025 0.0018 1143 HIS 75 HD1 -0.0082 -0.0016 0.0020 1144 HIS 75 CE1 -0.0077 -0.0040 0.0011 1145 HIS 75 HE1 -0.0076 -0.0044 0.0006 1146 HIS 75 C -0.0083 -0.0013 0.0018 1147 HIS 75 O -0.0085 -0.0001 0.0006 1148 LEU 76 N -0.0067 -0.0032 -0.0032 1149 LEU 76 HN -0.0071 -0.0043 -0.0020 1150 LEU 76 CA -0.0066 -0.0036 -0.0044 1151 LEU 76 HA -0.0062 -0.0020 -0.0049 1152 LEU 76 CB -0.0071 -0.0047 -0.0027 1153 LEU 76 HB1 -0.0070 -0.0049 -0.0036 1154 LEU 76 HB2 -0.0076 -0.0065 -0.0024 1155 LEU 76 CG -0.0072 -0.0035 -0.0003 1156 LEU 76 HG -0.0073 -0.0033 0.0005 1157 LEU 76 CD1 -0.0078 -0.0050 0.0012 1158 LEU 76 HD11 -0.0078 -0.0053 0.0004 1159 LEU 76 HD12 -0.0079 -0.0041 0.0030 1160 LEU 76 HD13 -0.0082 -0.0067 0.0015 1161 LEU 76 CD2 -0.0067 -0.0011 -0.0006 1162 LEU 76 HD21 -0.0063 -0.0000 -0.0016 1163 LEU 76 HD22 -0.0068 -0.0003 0.0012 1164 LEU 76 HD23 -0.0066 -0.0013 -0.0014 1165 LEU 76 C -0.0066 -0.0052 -0.0065 1166 LEU 76 O -0.0071 -0.0072 -0.0062 1167 GLU 77 N -0.0047 -0.0018 -0.0097 1168 GLU 77 HN -0.0055 -0.0018 -0.0101 1169 GLU 77 CA -0.0050 -0.0017 -0.0097 1170 GLU 77 HA -0.0041 -0.0016 -0.0091 1171 GLU 77 CB -0.0062 -0.0008 -0.0094 1172 GLU 77 HB1 -0.0064 -0.0008 -0.0095 1173 GLU 77 HB2 -0.0071 -0.0009 -0.0100 1174 GLU 77 CG -0.0062 0.0002 -0.0083 1175 GLU 77 HG1 -0.0064 0.0004 -0.0082 1176 GLU 77 HG2 -0.0051 0.0002 -0.0077 1177 GLU 77 CD -0.0071 0.0011 -0.0078 1178 GLU 77 OE1 -0.0083 0.0015 -0.0081 1179 GLU 77 OE2 -0.0065 0.0017 -0.0069 1180 GLU 77 C -0.0050 -0.0027 -0.0108 1181 GLU 77 O -0.0059 -0.0030 -0.0117 1182 HIS 78 N -0.0087 -0.0063 -0.0190 1183 HIS 78 HN -0.0087 -0.0078 -0.0180 1184 HIS 78 CA -0.0085 -0.0076 -0.0202 1185 HIS 78 HA -0.0086 -0.0058 -0.0206 1186 HIS 78 CB -0.0086 -0.0102 -0.0178 1187 HIS 78 HB1 -0.0085 -0.0118 -0.0190 1188 HIS 78 HB2 -0.0087 -0.0118 -0.0169 1189 HIS 78 CD2 -0.0093 -0.0081 -0.0119 1190 HIS 78 HD2 -0.0094 -0.0087 -0.0107 1191 HIS 78 CG -0.0090 -0.0086 -0.0150 1192 HIS 78 NE2 -0.0096 -0.0068 -0.0101 1193 HIS 78 HE2 -0.0098 -0.0062 -0.0078 1194 HIS 78 ND1 -0.0090 -0.0076 -0.0151 1195 HIS 78 HD1 -0.0088 -0.0077 -0.0171 1196 HIS 78 CE1 -0.0094 -0.0065 -0.0121 1197 HIS 78 HE1 -0.0095 -0.0055 -0.0115 1198 HIS 78 C -0.0082 -0.0093 -0.0234 1199 HIS 78 O -0.0080 -0.0112 -0.0237 1200 HIS 79 N 0.0079 -0.0099 -0.0291 1201 HIS 79 HN 0.0048 -0.0234 -0.0369 1202 HIS 79 CA -0.0007 -0.0059 -0.0228 1203 HIS 79 HA 0.0087 0.0066 -0.0183 1204 HIS 79 CB -0.0237 -0.0039 -0.0119 1205 HIS 79 HB1 -0.0305 -0.0031 -0.0086 1206 HIS 79 HB2 -0.0330 -0.0161 -0.0163 1207 HIS 79 CD2 -0.0380 0.0150 0.0067 1208 HIS 79 HD2 -0.0458 0.0043 0.0028 1209 HIS 79 CG -0.0269 0.0133 0.0010 1210 HIS 79 NE2 -0.0385 0.0336 0.0195 1211 HIS 79 HE2 -0.0454 0.0397 0.0264 1212 HIS 79 ND1 -0.0208 0.0303 0.0099 1213 HIS 79 HD1 -0.0128 0.0331 0.0084 1214 HIS 79 CE1 -0.0279 0.0422 0.0209 1215 HIS 79 HE1 -0.0255 0.0571 0.0299 1216 HIS 79 C -0.0014 -0.0219 -0.0333 1217 HIS 79 O -0.0119 -0.0375 -0.0394 1218 GLY 80 N 0.0031 0.0299 -0.0239 1219 GLY 80 HN 0.0036 0.0350 -0.0246 1220 GLY 80 CA 0.0034 0.0334 -0.0235 1221 GLY 80 HA1 0.0030 0.0309 -0.0166 1222 GLY 80 HA2 0.0042 0.0413 -0.0242 1223 GLY 80 C 0.0031 0.0294 -0.0318 1224 GLY 80 O 0.0034 0.0304 -0.0405 1225 GLY 81 N -0.0042 0.0121 -0.0195 1226 GLY 81 HN -0.0016 0.0125 -0.0159 1227 GLY 81 CA -0.0043 0.0126 -0.0189 1228 GLY 81 HA1 -0.0030 0.0151 -0.0141 1229 GLY 81 HA2 -0.0086 0.0142 -0.0216 1230 GLY 81 C -0.0001 0.0074 -0.0210 1231 GLY 81 O -0.0003 0.0070 -0.0217 1232 LYS 82 N -0.0005 0.0008 -0.0155 1233 LYS 82 HN 0.0038 -0.0016 -0.0141 1234 LYS 82 CA -0.0016 -0.0051 -0.0158 1235 LYS 82 HA -0.0034 -0.0007 -0.0164 1236 LYS 82 CB 0.0073 -0.0103 -0.0129 1237 LYS 82 HB1 0.0063 -0.0150 -0.0131 1238 LYS 82 HB2 0.0091 -0.0148 -0.0122 1239 LYS 82 CG 0.0150 -0.0036 -0.0105 1240 LYS 82 HG1 0.0157 0.0016 -0.0104 1241 LYS 82 HG2 0.0134 0.0005 -0.0111 1242 LYS 82 CD 0.0241 -0.0086 -0.0075 1243 LYS 82 HD1 0.0239 -0.0133 -0.0075 1244 LYS 82 HD2 0.0251 -0.0132 -0.0071 1245 LYS 82 CE 0.0321 -0.0018 -0.0051 1246 LYS 82 HE1 0.0385 -0.0059 -0.0030 1247 LYS 82 HE2 0.0324 0.0027 -0.0050 1248 LYS 82 NZ 0.0316 0.0044 -0.0054 1249 LYS 82 HZ1 0.0309 0.0005 -0.0055 1250 LYS 82 HZ2 0.0259 0.0090 -0.0072 1251 LYS 82 HZ3 0.0372 0.0087 -0.0036 1252 LYS 82 C -0.0091 -0.0123 -0.0181 1253 LYS 82 O -0.0106 -0.0163 -0.0185 1254 VAL 83 N -0.0013 -0.0037 -0.0119 1255 VAL 83 HN -0.0007 -0.0025 -0.0115 1256 VAL 83 CA -0.0020 -0.0044 -0.0119 1257 VAL 83 HA -0.0022 -0.0056 -0.0126 1258 VAL 83 CB -0.0035 -0.0041 -0.0106 1259 VAL 83 HB -0.0043 -0.0046 -0.0103 1260 VAL 83 CG1 -0.0034 -0.0024 -0.0094 1261 VAL 83 HG11 -0.0046 -0.0023 -0.0085 1262 VAL 83 HG12 -0.0028 -0.0017 -0.0094 1263 VAL 83 HG13 -0.0027 -0.0018 -0.0096 1264 VAL 83 CG2 -0.0044 -0.0051 -0.0106 1265 VAL 83 HG21 -0.0056 -0.0051 -0.0097 1266 VAL 83 HG22 -0.0037 -0.0047 -0.0108 1267 VAL 83 HG23 -0.0044 -0.0064 -0.0114 1268 VAL 83 C -0.0009 -0.0038 -0.0123 1269 VAL 83 O -0.0000 -0.0024 -0.0119 1270 SER 84 N -0.0001 -0.0024 -0.0071 1271 SER 84 HN -0.0001 -0.0022 -0.0072 1272 SER 84 CA -0.0001 -0.0032 -0.0070 1273 SER 84 HA -0.0002 -0.0034 -0.0070 1274 SER 84 CB 0.0001 -0.0035 -0.0064 1275 SER 84 HB1 0.0002 -0.0034 -0.0064 1276 SER 84 HB2 0.0004 -0.0032 -0.0060 1277 SER 84 OG 0.0001 -0.0043 -0.0063 1278 SER 84 HG1 0.0003 -0.0044 -0.0058 1279 SER 84 C -0.0005 -0.0035 -0.0076 1280 SER 84 O -0.0006 -0.0032 -0.0079 1281 ILE 85 N 0.0001 0.0002 -0.0038 1282 ILE 85 HN 0.0004 0.0008 -0.0042 1283 ILE 85 CA -0.0002 0.0004 -0.0029 1284 ILE 85 HA -0.0006 -0.0003 -0.0025 1285 ILE 85 CB -0.0002 0.0013 -0.0022 1286 ILE 85 HB 0.0001 0.0020 -0.0026 1287 ILE 85 CG2 -0.0006 0.0014 -0.0012 1288 ILE 85 HG21 -0.0006 0.0021 -0.0007 1289 ILE 85 HG22 -0.0005 0.0017 -0.0013 1290 ILE 85 HG23 -0.0010 0.0007 -0.0008 1291 ILE 85 CG1 -0.0003 0.0011 -0.0021 1292 ILE 85 HG11 -0.0004 0.0018 -0.0016 1293 ILE 85 HG12 -0.0000 0.0012 -0.0028 1294 ILE 85 CD -0.0008 0.0001 -0.0016 1295 ILE 85 HD1 -0.0008 0.0000 -0.0016 1296 ILE 85 HD2 -0.0011 0.0002 -0.0008 1297 ILE 85 HD3 -0.0008 -0.0006 -0.0021 1298 ILE 85 C 0.0000 0.0008 -0.0032 1299 ILE 85 O 0.0004 0.0015 -0.0037 1300 LYS 86 N -0.0018 0.0039 0.0009 1301 LYS 86 HN -0.0024 0.0033 0.0012 1302 LYS 86 CA -0.0015 0.0039 0.0005 1303 LYS 86 HA -0.0011 0.0047 0.0004 1304 LYS 86 CB -0.0012 0.0030 -0.0004 1305 LYS 86 HB1 -0.0007 0.0031 -0.0009 1306 LYS 86 HB2 -0.0008 0.0031 -0.0008 1307 LYS 86 CG -0.0018 0.0017 -0.0004 1308 LYS 86 HG1 -0.0023 0.0015 0.0000 1309 LYS 86 HG2 -0.0022 0.0016 -0.0001 1310 LYS 86 CD -0.0013 0.0009 -0.0015 1311 LYS 86 HD1 -0.0009 0.0011 -0.0018 1312 LYS 86 HD2 -0.0009 0.0011 -0.0018 1313 LYS 86 CE -0.0019 -0.0004 -0.0015 1314 LYS 86 HE1 -0.0023 -0.0006 -0.0012 1315 LYS 86 HE2 -0.0024 -0.0006 -0.0011 1316 LYS 86 NZ -0.0014 -0.0011 -0.0025 1317 LYS 86 HZ1 -0.0007 -0.0006 -0.0030 1318 LYS 86 HZ2 -0.0014 -0.0013 -0.0027 1319 LYS 86 HZ3 -0.0016 -0.0018 -0.0027 1320 LYS 86 C -0.0023 0.0037 0.0013 1321 LYS 86 O -0.0030 0.0034 0.0020 1322 GLY 87 N -0.0037 0.0067 0.0015 1323 GLY 87 HN -0.0035 0.0066 0.0015 1324 GLY 87 CA -0.0046 0.0063 0.0018 1325 GLY 87 HA1 -0.0051 0.0066 0.0016 1326 GLY 87 HA2 -0.0048 0.0064 0.0017 1327 GLY 87 C -0.0046 0.0054 0.0023 1328 GLY 87 O -0.0039 0.0050 0.0025 1329 HIS 88 N -0.0132 0.0091 0.0075 1330 HIS 88 HN -0.0138 0.0092 0.0070 1331 HIS 88 CA -0.0128 0.0057 0.0036 1332 HIS 88 HA -0.0150 0.0073 0.0030 1333 HIS 88 CB -0.0146 0.0037 -0.0013 1334 HIS 88 HB1 -0.0124 0.0018 -0.0011 1335 HIS 88 HB2 -0.0179 0.0063 -0.0019 1336 HIS 88 CD2 -0.0142 -0.0028 -0.0094 1337 HIS 88 HD2 -0.0127 -0.0049 -0.0102 1338 HIS 88 CG -0.0154 0.0011 -0.0056 1339 HIS 88 NE2 -0.0155 -0.0038 -0.0121 1340 HIS 88 HE2 -0.0150 -0.0065 -0.0151 1341 HIS 88 ND1 -0.0173 0.0027 -0.0059 1342 HIS 88 HD1 -0.0184 0.0055 -0.0036 1343 HIS 88 CE1 -0.0172 -0.0004 -0.0099 1344 HIS 88 HE1 -0.0184 -0.0003 -0.0112 1345 HIS 88 C -0.0082 0.0024 0.0048 1346 HIS 88 O -0.0048 0.0015 0.0078 1347 HIS 89 N -0.0202 0.0046 0.0095 1348 HIS 89 HN -0.0268 0.0044 0.0043 1349 HIS 89 CA -0.0096 -0.0037 0.0122 1350 HIS 89 HA -0.0116 -0.0092 0.0072 1351 HIS 89 CB -0.0029 -0.0120 0.0120 1352 HIS 89 HB1 0.0044 -0.0185 0.0134 1353 HIS 89 HB2 -0.0002 -0.0070 0.0173 1354 HIS 89 CD2 -0.0126 -0.0187 0.0002 1355 HIS 89 HD2 -0.0111 -0.0140 0.0045 1356 HIS 89 CG -0.0097 -0.0184 0.0026 1357 HIS 89 NE2 -0.0180 -0.0268 -0.0092 1358 HIS 89 HE2 -0.0208 -0.0297 -0.0131 1359 HIS 89 ND1 -0.0132 -0.0261 -0.0050 1360 HIS 89 HD1 -0.0122 -0.0277 -0.0053 1361 HIS 89 CE1 -0.0182 -0.0310 -0.0120 1362 HIS 89 HE1 -0.0217 -0.0377 -0.0190 1363 HIS 89 C -0.0027 0.0026 0.0216 1364 HIS 89 O 0.0068 -0.0028 0.0253 1365 HIS 90 N -0.0031 0.0057 0.0109 1366 HIS 90 HN -0.0054 0.0062 0.0118 1367 HIS 90 CA -0.0013 0.0063 0.0106 1368 HIS 90 HA -0.0030 0.0068 0.0113 1369 HIS 90 CB 0.0003 0.0036 0.0091 1370 HIS 90 HB1 0.0020 0.0043 0.0088 1371 HIS 90 HB2 0.0017 0.0026 0.0083 1372 HIS 90 CD2 -0.0044 -0.0007 0.0089 1373 HIS 90 HD2 -0.0050 -0.0008 0.0091 1374 HIS 90 CG -0.0021 0.0012 0.0089 1375 HIS 90 NE2 -0.0061 -0.0025 0.0088 1376 HIS 90 HE2 -0.0079 -0.0041 0.0088 1377 HIS 90 ND1 -0.0023 0.0003 0.0087 1378 HIS 90 HD1 -0.0008 0.0010 0.0084 1379 HIS 90 CE1 -0.0048 -0.0019 0.0086 1380 HIS 90 HE1 -0.0055 -0.0030 0.0084 1381 HIS 90 C 0.0009 0.0093 0.0111 1382 HIS 90 O 0.0029 0.0099 0.0106 1383 HIS 91 N 0.0081 0.0112 0.0061 1384 HIS 91 HN 0.0077 0.0109 0.0058 1385 HIS 91 CA 0.0089 0.0117 0.0068 1386 HIS 91 HA 0.0095 0.0116 0.0070 1387 HIS 91 CB 0.0093 0.0114 0.0067 1388 HIS 91 HB1 0.0099 0.0117 0.0072 1389 HIS 91 HB2 0.0086 0.0115 0.0066 1390 HIS 91 CD2 0.0096 0.0097 0.0055 1391 HIS 91 HD2 0.0090 0.0097 0.0053 1392 HIS 91 CG 0.0098 0.0104 0.0061 1393 HIS 91 NE2 0.0102 0.0090 0.0052 1394 HIS 91 HE2 0.0103 0.0083 0.0047 1395 HIS 91 ND1 0.0106 0.0101 0.0062 1396 HIS 91 HD1 0.0109 0.0105 0.0066 1397 HIS 91 CE1 0.0108 0.0092 0.0056 1398 HIS 91 HE1 0.0114 0.0088 0.0054 1399 HIS 91 C 0.0085 0.0127 0.0074 1400 HIS 91 O 0.0075 0.0130 0.0074 1401 TYR 92 N 0.0079 0.0054 0.0034 1402 TYR 92 HN 0.0076 0.0061 0.0026 1403 TYR 92 CA 0.0075 0.0039 0.0038 1404 TYR 92 HA 0.0076 0.0032 0.0044 1405 TYR 92 CB 0.0062 0.0034 0.0026 1406 TYR 92 HB1 0.0060 0.0023 0.0029 1407 TYR 92 HB2 0.0061 0.0042 0.0019 1408 TYR 92 CG 0.0056 0.0030 0.0020 1409 TYR 92 CD1 0.0054 0.0041 0.0011 1410 TYR 92 HD1 0.0058 0.0052 0.0009 1411 TYR 92 CE1 0.0048 0.0037 0.0005 1412 TYR 92 HE1 0.0047 0.0046 -0.0001 1413 TYR 92 CZ 0.0043 0.0022 0.0009 1414 TYR 92 OH 0.0037 0.0019 0.0004 1415 TYR 92 HH 0.0035 0.0008 0.0008 1416 TYR 92 CD2 0.0050 0.0015 0.0023 1417 TYR 92 HD2 0.0051 0.0007 0.0029 1418 TYR 92 CE2 0.0044 0.0011 0.0017 1419 TYR 92 HE2 0.0040 -0.0000 0.0020 1420 TYR 92 C 0.0081 0.0039 0.0046 1421 TYR 92 O 0.0083 0.0048 0.0043 1422 ILE 93 N 0.0042 0.0039 0.0013 1423 ILE 93 HN 0.0040 0.0044 0.0012 1424 ILE 93 CA 0.0042 0.0040 0.0013 1425 ILE 93 HA 0.0042 0.0034 0.0011 1426 ILE 93 CB 0.0037 0.0045 0.0008 1427 ILE 93 HB 0.0036 0.0050 0.0010 1428 ILE 93 CG2 0.0033 0.0042 0.0001 1429 ILE 93 HG21 0.0029 0.0045 -0.0002 1430 ILE 93 HG22 0.0034 0.0036 -0.0001 1431 ILE 93 HG23 0.0033 0.0042 0.0002 1432 ILE 93 CG1 0.0036 0.0045 0.0007 1433 ILE 93 HG11 0.0036 0.0040 0.0004 1434 ILE 93 HG12 0.0039 0.0046 0.0012 1435 ILE 93 CD 0.0031 0.0051 0.0003 1436 ILE 93 HD1 0.0031 0.0057 0.0006 1437 ILE 93 HD2 0.0031 0.0051 0.0003 1438 ILE 93 HD3 0.0028 0.0050 -0.0002 1439 ILE 93 C 0.0045 0.0043 0.0019 1440 ILE 93 O 0.0046 0.0049 0.0022 1441 SER 94 N 0.0045 -0.0007 0.0036 1442 SER 94 HN 0.0045 -0.0012 0.0032 1443 SER 94 CA 0.0043 -0.0011 0.0045 1444 SER 94 HA 0.0042 -0.0005 0.0049 1445 SER 94 CB 0.0041 -0.0016 0.0050 1446 SER 94 HB1 0.0042 -0.0023 0.0047 1447 SER 94 HB2 0.0041 -0.0012 0.0050 1448 SER 94 OG 0.0039 -0.0018 0.0060 1449 SER 94 HG1 0.0039 -0.0022 0.0060 1450 SER 94 C 0.0043 -0.0017 0.0043 1451 SER 94 O 0.0044 -0.0023 0.0037 1452 ALA 95 N 0.0001 -0.0074 0.0045 1453 ALA 95 HN 0.0001 -0.0074 0.0046 1454 ALA 95 CA 0.0003 -0.0068 0.0051 1455 ALA 95 HA 0.0001 -0.0069 0.0050 1456 ALA 95 CB -0.0003 -0.0062 0.0054 1457 ALA 95 HB1 -0.0001 -0.0061 0.0055 1458 ALA 95 HB2 -0.0002 -0.0058 0.0058 1459 ALA 95 HB3 -0.0009 -0.0063 0.0052 1460 ALA 95 C 0.0012 -0.0068 0.0054 1461 ALA 95 O 0.0015 -0.0068 0.0054 1462 ASP 96 N 0.0002 -0.0085 0.0121 1463 ASP 96 HN -0.0006 -0.0082 0.0127 1464 ASP 96 CA 0.0005 -0.0076 0.0111 1465 ASP 96 HA 0.0012 -0.0081 0.0108 1466 ASP 96 CB -0.0004 -0.0066 0.0114 1467 ASP 96 HB1 -0.0002 -0.0059 0.0106 1468 ASP 96 HB2 -0.0012 -0.0062 0.0118 1469 ASP 96 CG -0.0008 -0.0072 0.0122 1470 ASP 96 OD1 -0.0017 -0.0065 0.0126 1471 ASP 96 OD2 -0.0002 -0.0084 0.0124 1472 ASP 96 C 0.0009 -0.0070 0.0103 1473 ASP 96 O 0.0008 -0.0072 0.0105 1474 HIS 97 N 0.0070 -0.0098 0.0036 1475 HIS 97 HN 0.0112 -0.0097 -0.0002 1476 HIS 97 CA 0.0074 -0.0046 0.0054 1477 HIS 97 HA 0.0050 -0.0086 0.0060 1478 HIS 97 CB 0.0145 -0.0003 0.0005 1479 HIS 97 HB1 0.0145 0.0034 0.0020 1480 HIS 97 HB2 0.0170 0.0040 -0.0001 1481 HIS 97 CD2 0.0188 -0.0109 -0.0077 1482 HIS 97 HD2 0.0161 -0.0111 -0.0053 1483 HIS 97 CG 0.0184 -0.0065 -0.0056 1484 HIS 97 NE2 0.0232 -0.0155 -0.0137 1485 HIS 97 HE2 0.0239 -0.0203 -0.0162 1486 HIS 97 ND1 0.0226 -0.0080 -0.0101 1487 HIS 97 HD1 0.0234 -0.0055 -0.0099 1488 HIS 97 CE1 0.0254 -0.0134 -0.0149 1489 HIS 97 HE1 0.0289 -0.0162 -0.0193 1490 HIS 97 C 0.0038 0.0022 0.0115 1491 HIS 97 O 0.0018 0.0052 0.0146 1492 HIS 98 N 0.0040 -0.0031 0.0114 1493 HIS 98 HN 0.0029 -0.0034 0.0143 1494 HIS 98 CA -0.0016 0.0034 0.0143 1495 HIS 98 HA -0.0002 0.0004 0.0155 1496 HIS 98 CB -0.0042 0.0123 0.0062 1497 HIS 98 HB1 -0.0057 0.0153 0.0048 1498 HIS 98 HB2 -0.0002 0.0107 -0.0009 1499 HIS 98 CD2 -0.0162 0.0279 0.0094 1500 HIS 98 HD2 -0.0183 0.0320 0.0080 1501 HIS 98 CG -0.0101 0.0192 0.0089 1502 HIS 98 NE2 -0.0194 0.0309 0.0123 1503 HIS 98 HE2 -0.0240 0.0371 0.0133 1504 HIS 98 ND1 -0.0095 0.0167 0.0115 1505 HIS 98 HD1 -0.0055 0.0106 0.0119 1506 HIS 98 CE1 -0.0152 0.0239 0.0134 1507 HIS 98 HE1 -0.0163 0.0242 0.0155 1508 HIS 98 C -0.0073 0.0055 0.0241 1509 HIS 98 O -0.0077 0.0044 0.0268 1510 GLY 99 N -0.0095 -0.0020 0.0208 1511 GLY 99 HN -0.0094 -0.0002 0.0191 1512 GLY 99 CA -0.0117 -0.0045 0.0192 1513 GLY 99 HA1 -0.0121 -0.0072 0.0209 1514 GLY 99 HA2 -0.0131 -0.0043 0.0165 1515 GLY 99 C -0.0114 -0.0036 0.0189 1516 GLY 99 O -0.0096 -0.0007 0.0193 1517 HIS 100 N -0.0064 -0.0089 0.0132 1518 HIS 100 HN -0.0055 -0.0138 0.0127 1519 HIS 100 CA -0.0063 -0.0046 0.0087 1520 HIS 100 HA -0.0062 -0.0018 0.0056 1521 HIS 100 CB -0.0048 -0.0088 0.0041 1522 HIS 100 HB1 -0.0047 -0.0055 0.0006 1523 HIS 100 HB2 -0.0049 -0.0118 0.0073 1524 HIS 100 CD2 -0.0027 -0.0123 -0.0044 1525 HIS 100 HD2 -0.0033 -0.0078 -0.0054 1526 HIS 100 CG -0.0033 -0.0135 -0.0001 1527 HIS 100 NE2 -0.0012 -0.0183 -0.0074 1528 HIS 100 HE2 -0.0004 -0.0192 -0.0110 1529 HIS 100 ND1 -0.0022 -0.0201 -0.0004 1530 HIS 100 HD1 -0.0023 -0.0223 0.0021 1531 HIS 100 CE1 -0.0009 -0.0228 -0.0049 1532 HIS 100 HE1 0.0002 -0.0279 -0.0064 1533 HIS 100 C -0.0077 0.0005 0.0118 1534 HIS 100 O -0.0082 -0.0010 0.0162 1535 VAL 101 N -0.0014 0.0018 0.0058 1536 VAL 101 HN -0.0012 0.0018 0.0053 1537 VAL 101 CA -0.0022 0.0032 0.0056 1538 VAL 101 HA -0.0028 0.0032 0.0066 1539 VAL 101 CB -0.0027 0.0043 0.0051 1540 VAL 101 HB -0.0021 0.0041 0.0041 1541 VAL 101 CG1 -0.0034 0.0058 0.0046 1542 VAL 101 HG11 -0.0031 0.0059 0.0037 1543 VAL 101 HG12 -0.0041 0.0061 0.0056 1544 VAL 101 HG13 -0.0038 0.0066 0.0042 1545 VAL 101 CG2 -0.0033 0.0042 0.0064 1546 VAL 101 HG21 -0.0039 0.0044 0.0074 1547 VAL 101 HG22 -0.0028 0.0032 0.0067 1548 VAL 101 HG23 -0.0036 0.0050 0.0060 1549 VAL 101 C -0.0017 0.0033 0.0044 1550 VAL 101 O -0.0008 0.0027 0.0034 1551 SER 102 N 0.0046 0.0050 0.0035 1552 SER 102 HN 0.0040 0.0052 0.0040 1553 SER 102 CA 0.0049 0.0050 0.0026 1554 SER 102 HA 0.0054 0.0049 0.0020 1555 SER 102 CB 0.0054 0.0045 0.0029 1556 SER 102 HB1 0.0060 0.0040 0.0033 1557 SER 102 HB2 0.0058 0.0045 0.0022 1558 SER 102 OG 0.0049 0.0047 0.0036 1559 SER 102 HG1 0.0048 0.0045 0.0043 1560 SER 102 C 0.0042 0.0058 0.0020 1561 SER 102 O 0.0035 0.0063 0.0019 1562 THR 103 N 0.0078 0.0049 0.0025 1563 THR 103 HN 0.0081 0.0039 0.0030 1564 THR 103 CA 0.0077 0.0055 0.0025 1565 THR 103 HA 0.0076 0.0067 0.0028 1566 THR 103 CB 0.0073 0.0054 0.0009 1567 THR 103 HB 0.0070 0.0059 0.0002 1568 THR 103 OG1 0.0071 0.0061 0.0008 1569 THR 103 HG1 0.0068 0.0061 -0.0002 1570 THR 103 CG2 0.0075 0.0037 0.0004 1571 THR 103 HG21 0.0071 0.0036 -0.0007 1572 THR 103 HG22 0.0076 0.0031 0.0005 1573 THR 103 HG23 0.0078 0.0032 0.0011 1574 THR 103 C 0.0082 0.0047 0.0036 1575 THR 103 O 0.0085 0.0034 0.0038 1576 LYS 104 N 0.0122 0.0034 0.0058 1577 LYS 104 HN 0.0125 0.0034 0.0058 1578 LYS 104 CA 0.0103 0.0049 0.0058 1579 LYS 104 HA 0.0109 0.0057 0.0058 1580 LYS 104 CB 0.0080 0.0035 0.0061 1581 LYS 104 HB1 0.0085 0.0021 0.0061 1582 LYS 104 HB2 0.0067 0.0047 0.0061 1583 LYS 104 CG 0.0068 0.0023 0.0062 1584 LYS 104 HG1 0.0059 0.0036 0.0062 1585 LYS 104 HG2 0.0081 0.0014 0.0062 1586 LYS 104 CD 0.0049 0.0005 0.0064 1587 LYS 104 HD1 0.0058 -0.0010 0.0064 1588 LYS 104 HD2 0.0037 0.0014 0.0065 1589 LYS 104 CE 0.0034 -0.0005 0.0066 1590 LYS 104 HE1 0.0026 0.0010 0.0066 1591 LYS 104 HE2 0.0045 -0.0015 0.0066 1592 LYS 104 NZ 0.0015 -0.0021 0.0068 1593 LYS 104 HZ1 0.0002 -0.0020 0.0069 1594 LYS 104 HZ2 0.0008 -0.0016 0.0068 1595 LYS 104 HZ3 0.0019 -0.0039 0.0069 1596 LYS 104 C 0.0098 0.0069 0.0058 1597 LYS 104 O 0.0104 0.0069 0.0057 1598 GLU 105 N 0.0026 0.0135 0.0045 1599 GLU 105 HN -0.0037 0.0145 0.0048 1600 GLU 105 CA 0.0082 0.0135 0.0113 1601 GLU 105 HA 0.0136 0.0129 0.0132 1602 GLU 105 CB 0.0030 0.0153 0.0199 1603 GLU 105 HB1 -0.0027 0.0159 0.0182 1604 GLU 105 HB2 -0.0000 0.0160 0.0224 1605 GLU 105 CG 0.0088 0.0154 0.0274 1606 GLU 105 HG1 0.0145 0.0147 0.0290 1607 GLU 105 HG2 0.0114 0.0148 0.0256 1608 GLU 105 CD 0.0035 0.0172 0.0360 1609 GLU 105 OE1 0.0040 0.0178 0.0418 1610 GLU 105 OE2 -0.0008 0.0179 0.0368 1611 GLU 105 C 0.0122 0.0125 0.0075 1612 GLU 105 O 0.0076 0.0126 0.0031 1613 HIS 106 N 0.0102 0.0085 0.0084 1614 HIS 106 HN 0.0090 0.0069 0.0102 1615 HIS 106 CA 0.0107 0.0062 0.0055 1616 HIS 106 HA 0.0099 0.0031 0.0056 1617 HIS 106 CB 0.0128 0.0072 0.0012 1618 HIS 106 HB1 0.0130 0.0050 -0.0007 1619 HIS 106 HB2 0.0138 0.0103 0.0009 1620 HIS 106 CD2 0.0145 0.0092 -0.0015 1621 HIS 106 HD2 0.0155 0.0124 -0.0018 1622 HIS 106 CG 0.0132 0.0065 -0.0003 1623 HIS 106 NE2 0.0142 0.0071 -0.0023 1624 HIS 106 HE2 0.0147 0.0083 -0.0026 1625 HIS 106 ND1 0.0122 0.0027 -0.0004 1626 HIS 106 HD1 0.0112 0.0001 0.0003 1627 HIS 106 CE1 0.0129 0.0031 -0.0016 1628 HIS 106 HE1 0.0123 0.0008 -0.0019 1629 HIS 106 C 0.0102 0.0062 0.0067 1630 HIS 106 O 0.0104 0.0092 0.0083 1631 HIS 107 N 0.0034 0.0001 0.0042 1632 HIS 107 HN 0.0028 0.0020 0.0040 1633 HIS 107 CA 0.0031 -0.0017 0.0046 1634 HIS 107 HA 0.0050 -0.0028 0.0041 1635 HIS 107 CB 0.0025 0.0001 0.0045 1636 HIS 107 HB1 0.0008 0.0015 0.0050 1637 HIS 107 HB2 0.0041 0.0013 0.0036 1638 HIS 107 CD2 -0.0005 -0.0021 0.0062 1639 HIS 107 HD2 -0.0024 -0.0014 0.0068 1640 HIS 107 CG 0.0018 -0.0016 0.0051 1641 HIS 107 NE2 -0.0001 -0.0039 0.0063 1642 HIS 107 HE2 -0.0014 -0.0048 0.0070 1643 HIS 107 ND1 0.0038 -0.0030 0.0046 1644 HIS 107 HD1 0.0057 -0.0029 0.0038 1645 HIS 107 CE1 0.0025 -0.0043 0.0054 1646 HIS 107 HE1 0.0035 -0.0057 0.0052 1647 HIS 107 C 0.0012 -0.0038 0.0058 1648 HIS 107 O -0.0009 -0.0032 0.0065 1649 ASP 108 N 0.0027 -0.0043 0.0053 1650 ASP 108 HN 0.0044 -0.0048 0.0049 1651 ASP 108 CA 0.0010 -0.0065 0.0063 1652 ASP 108 HA -0.0012 -0.0058 0.0068 1653 ASP 108 CB 0.0018 -0.0075 0.0063 1654 ASP 108 HB1 0.0039 -0.0086 0.0060 1655 ASP 108 HB2 0.0020 -0.0057 0.0058 1656 ASP 108 CG -0.0002 -0.0094 0.0073 1657 ASP 108 OD1 -0.0021 -0.0103 0.0081 1658 ASP 108 OD2 0.0004 -0.0099 0.0073 1659 ASP 108 C 0.0014 -0.0088 0.0068 1660 ASP 108 O 0.0032 -0.0089 0.0063 1661 HIS 109 N -0.0021 -0.0139 0.0107 1662 HIS 109 HN -0.0050 -0.0146 0.0127 1663 HIS 109 CA -0.0008 -0.0165 0.0080 1664 HIS 109 HA 0.0021 -0.0144 0.0069 1665 HIS 109 CB -0.0036 -0.0177 0.0095 1666 HIS 109 HB1 -0.0031 -0.0205 0.0075 1667 HIS 109 HB2 -0.0067 -0.0188 0.0115 1668 HIS 109 CD2 -0.0050 -0.0116 0.0145 1669 HIS 109 HD2 -0.0080 -0.0120 0.0168 1670 HIS 109 CG -0.0027 -0.0139 0.0112 1671 HIS 109 NE2 -0.0029 -0.0083 0.0148 1672 HIS 109 HE2 -0.0038 -0.0062 0.0169 1673 HIS 109 ND1 0.0009 -0.0120 0.0094 1674 HIS 109 HD1 0.0032 -0.0130 0.0068 1675 HIS 109 CE1 0.0006 -0.0087 0.0116 1676 HIS 109 HE1 0.0031 -0.0066 0.0109 1677 HIS 109 C -0.0001 -0.0204 0.0050 1678 HIS 109 O 0.0022 -0.0219 0.0021 1679 ASP 110 N 0.0025 -0.0126 0.0053 1680 ASP 110 HN 0.0026 -0.0128 0.0055 1681 ASP 110 CA 0.0029 -0.0133 0.0048 1682 ASP 110 HA 0.0030 -0.0134 0.0053 1683 ASP 110 CB 0.0035 -0.0141 0.0046 1684 ASP 110 HB1 0.0038 -0.0146 0.0041 1685 ASP 110 HB2 0.0034 -0.0139 0.0042 1686 ASP 110 CG 0.0038 -0.0147 0.0056 1687 ASP 110 OD1 0.0036 -0.0145 0.0065 1688 ASP 110 OD2 0.0042 -0.0154 0.0055 1689 ASP 110 C 0.0029 -0.0130 0.0037 1690 ASP 110 O 0.0031 -0.0133 0.0033 1691 THR 111 N 0.0028 -0.0072 0.0027 1692 THR 111 HN 0.0018 -0.0066 0.0027 1693 THR 111 CA 0.0042 -0.0064 0.0022 1694 THR 111 HA 0.0053 -0.0071 0.0022 1695 THR 111 CB 0.0044 -0.0047 0.0017 1696 THR 111 HB 0.0056 -0.0043 0.0014 1697 THR 111 OG1 0.0031 -0.0036 0.0017 1698 THR 111 HG1 0.0034 -0.0036 0.0016 1699 THR 111 CG2 0.0043 -0.0045 0.0017 1700 THR 111 HG21 0.0031 -0.0049 0.0020 1701 THR 111 HG22 0.0044 -0.0033 0.0013 1702 THR 111 HG23 0.0053 -0.0053 0.0017 1703 THR 111 C 0.0040 -0.0066 0.0023 1704 THR 111 O 0.0049 -0.0058 0.0019 1705 THR 112 N 0.0019 -0.0105 -0.0023 1706 THR 112 HN 0.0017 -0.0107 -0.0023 1707 THR 112 CA 0.0026 -0.0099 -0.0024 1708 THR 112 HA 0.0027 -0.0098 -0.0026 1709 THR 112 CB 0.0032 -0.0097 -0.0017 1710 THR 112 HB 0.0032 -0.0097 -0.0016 1711 THR 112 OG1 0.0033 -0.0100 -0.0010 1712 THR 112 HG1 0.0028 -0.0104 -0.0008 1713 THR 112 CG2 0.0039 -0.0090 -0.0019 1714 THR 112 HG21 0.0040 -0.0089 -0.0021 1715 THR 112 HG22 0.0044 -0.0089 -0.0014 1716 THR 112 HG23 0.0040 -0.0087 -0.0025 1717 THR 112 C 0.0026 -0.0095 -0.0032 1718 THR 112 O 0.0024 -0.0096 -0.0033 1719 PHE 113 N 0.0013 -0.0045 -0.0022 1720 PHE 113 HN 0.0012 -0.0046 -0.0022 1721 PHE 113 CA 0.0011 -0.0039 -0.0028 1722 PHE 113 HA 0.0012 -0.0039 -0.0028 1723 PHE 113 CB 0.0002 -0.0041 -0.0034 1724 PHE 113 HB1 0.0000 -0.0037 -0.0038 1725 PHE 113 HB2 0.0001 -0.0040 -0.0035 1726 PHE 113 CG -0.0003 -0.0048 -0.0032 1727 PHE 113 CD1 -0.0008 -0.0053 -0.0032 1728 PHE 113 HD1 -0.0009 -0.0052 -0.0033 1729 PHE 113 CE1 -0.0013 -0.0061 -0.0030 1730 PHE 113 HE1 -0.0017 -0.0064 -0.0030 1731 PHE 113 CZ -0.0012 -0.0063 -0.0028 1732 PHE 113 HZ -0.0016 -0.0069 -0.0026 1733 PHE 113 CD2 -0.0003 -0.0051 -0.0030 1734 PHE 113 HD2 0.0001 -0.0047 -0.0029 1735 PHE 113 CE2 -0.0007 -0.0058 -0.0028 1736 PHE 113 HE2 -0.0007 -0.0060 -0.0026 1737 PHE 113 C 0.0015 -0.0032 -0.0030 1738 PHE 113 O 0.0019 -0.0032 -0.0027 1739 GLU 114 N 0.0016 0.0025 -0.0071 1740 GLU 114 HN 0.0011 0.0040 -0.0073 1741 GLU 114 CA 0.0019 0.0043 -0.0073 1742 GLU 114 HA 0.0014 0.0024 -0.0071 1743 GLU 114 CB 0.0058 0.0061 -0.0073 1744 GLU 114 HB1 0.0059 0.0075 -0.0075 1745 GLU 114 HB2 0.0062 0.0082 -0.0076 1746 GLU 114 CG 0.0090 0.0034 -0.0068 1747 GLU 114 HG1 0.0093 0.0022 -0.0066 1748 GLU 114 HG2 0.0085 0.0011 -0.0065 1749 GLU 114 CD 0.0127 0.0052 -0.0068 1750 GLU 114 OE1 0.0155 0.0030 -0.0064 1751 GLU 114 OE2 0.0129 0.0086 -0.0073 1752 GLU 114 C -0.0011 0.0072 -0.0078 1753 GLU 114 O -0.0026 0.0085 -0.0081 1754 GLU 115 N 0.0005 0.0065 -0.0090 1755 GLU 115 HN 0.0018 0.0056 -0.0086 1756 GLU 115 CA 0.0008 0.0064 -0.0096 1757 GLU 115 HA -0.0001 0.0070 -0.0083 1758 GLU 115 CB 0.0030 0.0048 -0.0093 1759 GLU 115 HB1 0.0033 0.0046 -0.0100 1760 GLU 115 HB2 0.0040 0.0041 -0.0103 1761 GLU 115 CG 0.0036 0.0041 -0.0065 1762 GLU 115 HG1 0.0033 0.0043 -0.0056 1763 GLU 115 HG2 0.0027 0.0047 -0.0055 1764 GLU 115 CD 0.0058 0.0025 -0.0063 1765 GLU 115 OE1 0.0064 0.0021 -0.0074 1766 GLU 115 OE2 0.0068 0.0016 -0.0050 1767 GLU 115 C 0.0001 0.0071 -0.0121 1768 GLU 115 O 0.0001 0.0073 -0.0139 1769 ILE 116 N -0.0030 0.0079 -0.0075 1770 ILE 116 HN -0.0015 0.0084 -0.0080 1771 ILE 116 CA -0.0038 0.0051 -0.0095 1772 ILE 116 HA -0.0057 0.0046 -0.0088 1773 ILE 116 CB -0.0045 0.0032 -0.0108 1774 ILE 116 HB -0.0027 0.0039 -0.0114 1775 ILE 116 CG2 -0.0074 0.0032 -0.0089 1776 ILE 116 HG21 -0.0072 0.0052 -0.0072 1777 ILE 116 HG22 -0.0079 0.0020 -0.0097 1778 ILE 116 HG23 -0.0093 0.0023 -0.0084 1779 ILE 116 CG1 -0.0048 0.0004 -0.0132 1780 ILE 116 HG11 -0.0067 -0.0004 -0.0127 1781 ILE 116 HG12 -0.0028 0.0004 -0.0145 1782 ILE 116 CD -0.0054 -0.0016 -0.0146 1783 ILE 116 HD1 -0.0036 -0.0009 -0.0151 1784 ILE 116 HD2 -0.0056 -0.0035 -0.0163 1785 ILE 116 HD3 -0.0076 -0.0018 -0.0134 1786 ILE 116 C -0.0011 0.0051 -0.0113 1787 ILE 116 O 0.0014 0.0061 -0.0120 1788 ILE 117 N 0.0075 0.0075 -0.0165 1789 ILE 117 HN 0.0139 0.0095 -0.0162 1790 ILE 117 CA -0.0009 0.0085 -0.0120 1791 ILE 117 HA -0.0072 0.0047 -0.0148 1792 ILE 117 CB 0.0005 0.0087 -0.0123 1793 ILE 117 HB 0.0077 0.0121 -0.0105 1794 ILE 117 CG2 -0.0075 0.0110 -0.0063 1795 ILE 117 HG21 -0.0066 0.0107 -0.0069 1796 ILE 117 HG22 -0.0070 0.0159 0.0001 1797 ILE 117 HG23 -0.0149 0.0080 -0.0075 1798 ILE 117 CG1 0.0004 0.0021 -0.0210 1799 ILE 117 HG11 -0.0044 -0.0016 -0.0241 1800 ILE 117 HG12 -0.0028 0.0016 -0.0205 1801 ILE 117 CD 0.0105 0.0010 -0.0263 1802 ILE 117 HD1 0.0140 0.0012 -0.0275 1803 ILE 117 HD2 0.0153 0.0046 -0.0233 1804 ILE 117 HD3 0.0098 -0.0036 -0.0322 1805 ILE 117 C -0.0031 0.0144 -0.0034 1806 ILE 117 O 0.0035 0.0192 0.0006 1807 ILE 118 N -0.0759 0.0423 0.0742 1808 ILE 118 HN -0.0800 0.1000 0.0578 1809 ILE 118 CA -0.0616 -0.0742 0.1000 1810 ILE 118 HA -0.0248 -0.0682 0.0518 1811 ILE 118 CB 0.0171 0.0200 -0.0335 1812 ILE 118 HB 0.0100 0.0806 -0.0473 1813 ILE 118 CG2 0.0639 -0.0350 -0.0713 1814 ILE 118 HG21 0.1001 -0.0161 -0.1235 1815 ILE 118 HG22 0.0560 -0.0323 -0.0625 1816 ILE 118 HG23 0.0708 -0.0971 -0.0568 1817 ILE 118 CG1 0.0317 0.0271 -0.0544 1818 ILE 118 HG11 0.0683 0.0467 -0.1074 1819 ILE 118 HG12 0.0004 0.0749 -0.0332 1820 ILE 118 CD 0.0393 -0.0481 -0.0356 1821 ILE 118 HD1 0.0486 -0.0372 -0.0513 1822 ILE 118 HD2 0.0723 -0.0970 -0.0586 1823 ILE 118 HD3 0.0029 -0.0684 0.0174 1824 ILE 118 C -0.0498 -0.0015 0.0581 1825 ILE 118 OT1 -0.0684 0.0628 0.0572 1826 ILE 118 OT2 -0.0937 0.0477 0.0945