NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647713 | 6pmg | 30623 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 312 HT1 ASN 312 -10.357 10.383 -7.800 2 H2 ASN 312 HT2 ASN 312 -11.079 9.550 -6.521 3 H3 ASN 312 HT3 ASN 312 -11.991 9.940 -7.882 4 HA ASN 312 HA ASN 312 -11.396 7.619 -7.832 5 HB2 ASN 312 HB2 ASN 312 -10.003 9.183 -10.053 6 HB3 ASN 312 HB1 ASN 312 -10.437 7.479 -10.134 7 HD21 ASN 312 HD21 ASN 312 -11.671 7.900 -12.002 8 HD22 ASN 312 HD22 ASN 312 -13.220 8.663 -11.917 9 H ASN 313 HN ASN 313 -8.371 9.171 -8.950 10 HA ASN 313 HA ASN 313 -6.816 7.909 -6.795 11 HB2 ASN 313 HB2 ASN 313 -6.300 7.441 -9.769 12 HB3 ASN 313 HB1 ASN 313 -5.097 7.127 -8.522 13 HD21 ASN 313 HD21 ASN 313 -5.395 5.370 -7.113 14 HD22 ASN 313 HD22 ASN 313 -6.519 4.102 -7.456 15 H LYS 314 HN LYS 314 -5.348 9.266 -6.017 16 HA LYS 314 HA LYS 314 -4.427 11.627 -7.503 17 HB2 LYS 314 HB2 LYS 314 -4.202 10.750 -4.593 18 HB3 LYS 314 HB1 LYS 314 -3.176 12.036 -5.218 19 HG2 LYS 314 HG2 LYS 314 -6.213 12.076 -5.219 20 HG3 LYS 314 HG1 LYS 314 -5.175 12.895 -4.044 21 HD2 LYS 314 HD2 LYS 314 -4.196 14.265 -5.876 22 HD3 LYS 314 HD1 LYS 314 -5.240 13.447 -7.044 23 HE2 LYS 314 HE2 LYS 314 -6.201 15.169 -4.728 24 HE3 LYS 314 HE1 LYS 314 -6.120 15.669 -6.419 25 HZ1 LYS 314 HZ1 LYS 314 -8.350 14.985 -5.780 26 HZ2 LYS 314 HZ2 LYS 314 -7.789 13.451 -5.364 27 HZ3 LYS 314 HZ3 LYS 314 -7.732 13.963 -6.971 28 H TYR 315 HN TYR 315 -3.670 8.616 -7.840 29 HA TYR 315 HA TYR 315 -2.040 7.687 -9.072 30 HB2 TYR 315 HB2 TYR 315 -1.455 10.115 -9.734 31 HB3 TYR 315 HB1 TYR 315 -0.170 10.022 -8.544 32 HD1 TYR 315 HD1 TYR 315 1.974 9.278 -9.279 33 HD2 TYR 315 HD2 TYR 315 -1.479 8.233 -11.575 34 HE1 TYR 315 HE1 TYR 315 3.418 8.359 -11.039 35 HE2 TYR 315 HE2 TYR 315 -0.031 7.311 -13.331 36 HH TYR 315 HH TYR 315 3.342 6.820 -12.883 37 H LYS 316 HN LYS 316 -1.301 8.939 -5.860 38 HA LYS 316 HA LYS 316 0.665 6.904 -5.245 39 HB2 LYS 316 HB2 LYS 316 -0.886 8.830 -3.463 40 HB3 LYS 316 HB1 LYS 316 0.254 7.650 -2.824 41 HG2 LYS 316 HG2 LYS 316 2.061 8.773 -4.167 42 HG3 LYS 316 HG1 LYS 316 0.880 10.005 -4.635 43 HD2 LYS 316 HD2 LYS 316 0.554 10.619 -2.268 44 HD3 LYS 316 HD1 LYS 316 1.678 9.354 -1.763 45 HE2 LYS 316 HE2 LYS 316 2.786 11.518 -1.697 46 HE3 LYS 316 HE1 LYS 316 3.507 10.538 -2.971 47 HZ1 LYS 316 HZ1 LYS 316 3.129 12.840 -3.651 48 HZ2 LYS 316 HZ2 LYS 316 1.469 12.664 -3.390 49 HZ3 LYS 316 HZ3 LYS 316 2.230 11.768 -4.601 50 H THR 317 HN THR 317 -0.809 5.220 -6.176 51 HA THR 317 HA THR 317 -2.026 3.769 -3.927 52 HB THR 317 HB THR 317 -3.671 2.792 -5.812 53 HG1 THR 317 HG1 THR 317 -3.100 3.940 -7.577 54 HG21 THR 317 HG21 THR 317 -4.223 5.463 -4.470 55 HG22 THR 317 HG22 THR 317 -4.493 3.873 -3.755 56 HG23 THR 317 HG23 THR 317 -5.442 4.380 -5.154 57 H LYS 318 HN LYS 318 0.317 3.258 -4.200 58 HA LYS 318 HA LYS 318 0.983 1.401 -6.373 59 HB2 LYS 318 HB2 LYS 318 2.762 2.566 -4.172 60 HB3 LYS 318 HB1 LYS 318 3.307 1.664 -5.588 61 HG2 LYS 318 HG2 LYS 318 1.977 4.397 -5.604 62 HG3 LYS 318 HG1 LYS 318 3.694 4.069 -5.866 63 HD2 LYS 318 HD2 LYS 318 3.184 2.858 -7.938 64 HD3 LYS 318 HD1 LYS 318 1.449 3.048 -7.661 65 HE2 LYS 318 HE2 LYS 318 2.236 4.667 -9.322 66 HE3 LYS 318 HE1 LYS 318 1.696 5.503 -7.868 67 HZ1 LYS 318 HZ1 LYS 318 3.753 6.434 -8.685 68 HZ2 LYS 318 HZ2 LYS 318 4.519 4.932 -8.594 69 HZ3 LYS 318 HZ3 LYS 318 4.012 5.710 -7.183 70 H LEU 319 HN LEU 319 -0.298 -0.389 -5.704 71 HA LEU 319 HA LEU 319 -0.331 -1.453 -3.084 72 HB2 LEU 319 HB2 LEU 319 -2.017 -1.941 -4.919 73 HB3 LEU 319 HB1 LEU 319 -0.850 -3.029 -5.641 74 HG LEU 319 HG LEU 319 -1.784 -3.458 -2.777 75 HD11 LEU 319 HD11 LEU 319 -3.226 -4.533 -5.223 76 HD12 LEU 319 HD12 LEU 319 -3.837 -3.298 -4.119 77 HD13 LEU 319 HD13 LEU 319 -3.574 -4.940 -3.538 78 HD21 LEU 319 HD21 LEU 319 -1.287 -5.829 -3.221 79 HD22 LEU 319 HD22 LEU 319 0.125 -4.810 -3.483 80 HD23 LEU 319 HD23 LEU 319 -0.785 -5.420 -4.865 81 H CYS 320 HN CYS 320 1.181 -2.468 -2.026 82 HA CYS 320 HA CYS 320 3.808 -2.634 -2.837 83 HB2 CYS 320 HB2 CYS 320 2.507 -4.181 -0.561 84 HB3 CYS 320 HB1 CYS 320 4.215 -3.748 -0.695 85 H LYS 321 HN LYS 321 5.109 -4.210 -3.667 86 HA LYS 321 HA LYS 321 4.225 -6.616 -4.815 87 HB2 LYS 321 HB2 LYS 321 6.631 -7.215 -4.944 88 HB3 LYS 321 HB1 LYS 321 6.326 -5.564 -5.470 89 HG2 LYS 321 HG2 LYS 321 7.086 -4.768 -3.193 90 HG3 LYS 321 HG1 LYS 321 7.545 -6.433 -2.823 91 HD2 LYS 321 HD2 LYS 321 9.515 -5.170 -3.555 92 HD3 LYS 321 HD1 LYS 321 9.127 -6.414 -4.747 93 HE2 LYS 321 HE2 LYS 321 7.992 -4.672 -6.135 94 HE3 LYS 321 HE1 LYS 321 8.468 -3.453 -4.954 95 HZ1 LYS 321 HZ1 LYS 321 10.330 -5.129 -6.552 96 HZ2 LYS 321 HZ2 LYS 321 10.784 -3.957 -5.429 97 HZ3 LYS 321 HZ3 LYS 321 9.971 -3.505 -6.840 98 H ASN 322 HN ASN 322 5.077 -5.779 -1.555 99 HA ASN 322 HA ASN 322 5.368 -8.334 -0.353 100 HB2 ASN 322 HB2 ASN 322 4.139 -5.850 0.944 101 HB3 ASN 322 HB1 ASN 322 4.989 -7.163 1.755 102 HD21 ASN 322 HD21 ASN 322 7.253 -7.157 1.734 103 HD22 ASN 322 HD22 ASN 322 8.181 -5.804 1.203 104 H PHE 323 HN PHE 323 2.579 -6.175 -0.814 105 HA PHE 323 HA PHE 323 0.667 -8.091 0.283 106 HB2 PHE 323 HB2 PHE 323 0.492 -5.174 -0.551 107 HB3 PHE 323 HB1 PHE 323 -0.968 -6.111 -0.247 108 HD1 PHE 323 HD1 PHE 323 -1.790 -6.347 1.966 109 HD2 PHE 323 HD2 PHE 323 2.250 -5.062 1.381 110 HE1 PHE 323 HE1 PHE 323 -1.567 -5.927 4.376 111 HE2 PHE 323 HE2 PHE 323 2.456 -4.644 3.800 112 HZ PHE 323 HZ PHE 323 0.554 -5.080 5.296 113 H ALA 324 HN ALA 324 2.042 -7.700 -2.671 114 HA ALA 324 HA ALA 324 -0.160 -8.318 -4.389 115 HB1 ALA 324 HB1 ALA 324 2.818 -8.818 -4.766 116 HB2 ALA 324 HB2 ALA 324 1.941 -7.368 -5.260 117 HB3 ALA 324 HB3 ALA 324 1.588 -8.915 -6.032 118 H ARG 325 HN ARG 325 -1.025 -10.303 -4.865 119 HA ARG 325 HA ARG 325 -0.825 -12.370 -2.942 120 HB2 ARG 325 HB2 ARG 325 -2.198 -12.341 -5.667 121 HB3 ARG 325 HB1 ARG 325 -2.408 -13.618 -4.465 122 HG2 ARG 325 HG2 ARG 325 -3.353 -11.984 -2.878 123 HG3 ARG 325 HG1 ARG 325 -3.117 -10.690 -4.053 124 HD2 ARG 325 HD2 ARG 325 -4.724 -11.773 -5.577 125 HD3 ARG 325 HD1 ARG 325 -4.946 -13.092 -4.420 126 HE ARG 325 HE ARG 325 -5.501 -10.752 -3.040 127 HH11 ARG 325 HH11 ARG 325 -6.874 -12.398 -5.852 128 HH12 ARG 325 HH12 ARG 325 -8.468 -11.775 -5.580 129 HH21 ARG 325 HH21 ARG 325 -8.879 -10.407 -3.795 130 HH22 ARG 325 HH22 ARG 325 -7.611 -9.984 -2.693 131 H GLY 326 HN GLY 326 0.597 -13.976 -2.772 132 HA2 GLY 326 HA2 GLY 326 1.941 -15.784 -3.694 133 HA3 GLY 326 HA1 GLY 326 2.273 -14.784 -5.098 134 H GLY 327 HN GLY 327 2.416 -12.588 -2.769 135 HA2 GLY 327 HA2 GLY 327 5.325 -12.720 -2.371 136 HA3 GLY 327 HA1 GLY 327 4.258 -11.358 -2.035 137 H THR 328 HN THR 328 5.242 -11.123 0.056 138 HA THR 328 HA THR 328 5.085 -13.268 2.019 139 HB THR 328 HB THR 328 6.022 -11.505 3.585 140 HG1 THR 328 HG1 THR 328 6.558 -9.489 2.729 141 HG21 THR 328 HG21 THR 328 7.545 -11.815 0.968 142 HG22 THR 328 HG22 THR 328 7.568 -12.962 2.310 143 HG23 THR 328 HG23 THR 328 8.244 -11.346 2.522 144 H GLY 329 HN GLY 329 3.583 -10.114 1.485 145 HA2 GLY 329 HA2 GLY 329 1.364 -9.478 1.970 146 HA3 GLY 329 HA1 GLY 329 1.243 -10.770 3.157 147 H PHE 330 HN PHE 330 4.148 -9.610 3.823 148 HA PHE 330 HA PHE 330 3.246 -7.452 5.637 149 HB2 PHE 330 HB2 PHE 330 3.971 -9.506 6.841 150 HB3 PHE 330 HB1 PHE 330 5.525 -9.453 6.018 151 HD1 PHE 330 HD1 PHE 330 3.336 -7.332 8.223 152 HD2 PHE 330 HD2 PHE 330 7.342 -8.397 7.137 153 HE1 PHE 330 HE1 PHE 330 4.212 -5.912 10.031 154 HE2 PHE 330 HE2 PHE 330 8.203 -6.970 8.949 155 HZ PHE 330 HZ PHE 330 6.642 -5.727 10.393 156 H CYS 331 HN CYS 331 3.994 -5.496 5.017 157 HA CYS 331 HA CYS 331 6.459 -5.106 3.544 158 HB2 CYS 331 HB2 CYS 331 4.546 -3.123 4.845 159 HB3 CYS 331 HB1 CYS 331 5.983 -2.657 3.925 160 HA PRO 332 HA PRO 332 8.966 -5.253 7.368 161 HB2 PRO 332 HB2 PRO 332 11.296 -4.150 6.279 162 HB3 PRO 332 HB1 PRO 332 10.826 -5.857 6.121 163 HG2 PRO 332 HG2 PRO 332 10.444 -3.615 4.160 164 HG3 PRO 332 HG1 PRO 332 10.980 -5.287 3.870 165 HD2 PRO 332 HD2 PRO 332 8.447 -4.548 3.347 166 HD3 PRO 332 HD1 PRO 332 8.804 -6.156 4.011 167 H TYR 333 HN TYR 333 8.486 -2.394 5.411 168 HA TYR 333 HA TYR 333 9.492 -0.469 7.304 169 HB2 TYR 333 HB2 TYR 333 7.825 -0.133 4.776 170 HB3 TYR 333 HB1 TYR 333 8.544 1.196 5.680 171 HD1 TYR 333 HD1 TYR 333 9.252 -1.680 3.453 172 HD2 TYR 333 HD2 TYR 333 10.941 1.660 5.515 173 HE1 TYR 333 HE1 TYR 333 11.312 -1.911 2.135 174 HE2 TYR 333 HE2 TYR 333 13.002 1.427 4.201 175 HH TYR 333 HH TYR 333 13.228 -0.479 1.421 176 H GLY 334 HN GLY 334 6.493 -2.122 6.870 177 HA2 GLY 334 HA2 GLY 334 4.530 -2.099 8.021 178 HA3 GLY 334 HA1 GLY 334 5.283 -1.033 9.194 179 H LEU 335 HN LEU 335 4.062 0.739 9.465 180 HA LEU 335 HA LEU 335 2.213 1.830 7.598 181 HB2 LEU 335 HB2 LEU 335 1.896 2.174 9.991 182 HB3 LEU 335 HB1 LEU 335 3.449 2.977 10.135 183 HG LEU 335 HG LEU 335 2.578 4.928 8.855 184 HD11 LEU 335 HD11 LEU 335 0.199 5.149 8.312 185 HD12 LEU 335 HD12 LEU 335 -0.076 3.473 8.798 186 HD13 LEU 335 HD13 LEU 335 0.957 3.838 7.415 187 HD21 LEU 335 HD21 LEU 335 1.048 5.812 10.548 188 HD22 LEU 335 HD22 LEU 335 2.388 4.944 11.293 189 HD23 LEU 335 HD23 LEU 335 0.798 4.184 11.192 190 H ARG 336 HN ARG 336 5.584 2.414 8.273 191 HA ARG 336 HA ARG 336 5.868 4.946 6.963 192 HB2 ARG 336 HB2 ARG 336 8.007 2.905 7.707 193 HB3 ARG 336 HB1 ARG 336 8.280 4.609 7.347 194 HG2 ARG 336 HG2 ARG 336 7.116 5.281 9.375 195 HG3 ARG 336 HG1 ARG 336 6.618 3.619 9.693 196 HD2 ARG 336 HD2 ARG 336 9.002 2.982 10.002 197 HD3 ARG 336 HD1 ARG 336 9.473 4.663 9.730 198 HE ARG 336 HE ARG 336 8.273 5.262 11.755 199 HH11 ARG 336 HH11 ARG 336 8.829 1.505 13.112 200 HH12 ARG 336 HH12 ARG 336 8.965 1.814 11.412 201 HH21 ARG 336 HH21 ARG 336 8.097 4.823 13.965 202 HH22 ARG 336 HH22 ARG 336 8.339 3.209 14.553 203 H CYS 337 HN CYS 337 5.385 1.892 5.692 204 HA CYS 337 HA CYS 337 7.083 1.703 3.476 205 HB2 CYS 337 HB2 CYS 337 5.731 -0.178 4.211 206 HB3 CYS 337 HB1 CYS 337 4.242 0.690 3.871 207 H GLU 338 HN GLU 338 7.263 2.892 1.724 208 HA GLU 338 HA GLU 338 5.661 5.155 1.110 209 HB2 GLU 338 HB2 GLU 338 7.070 5.324 -0.945 210 HB3 GLU 338 HB1 GLU 338 8.028 5.115 0.519 211 HG2 GLU 338 HG2 GLU 338 8.352 2.738 -0.005 212 HG3 GLU 338 HG1 GLU 338 7.346 2.900 -1.445 213 H PHE 339 HN PHE 339 5.686 1.847 -0.072 214 HA PHE 339 HA PHE 339 3.797 2.233 -2.206 215 HB2 PHE 339 HB2 PHE 339 4.673 -0.315 -0.772 216 HB3 PHE 339 HB1 PHE 339 3.700 -0.265 -2.236 217 HD1 PHE 339 HD1 PHE 339 7.058 -0.298 -0.904 218 HD2 PHE 339 HD2 PHE 339 4.743 0.741 -4.354 219 HE1 PHE 339 HE1 PHE 339 9.090 -0.344 -2.289 220 HE2 PHE 339 HE2 PHE 339 6.784 0.693 -5.727 221 HZ PHE 339 HZ PHE 339 8.955 0.152 -4.697 222 H VAL 340 HN VAL 340 1.659 2.308 -2.042 223 HA VAL 340 HA VAL 340 0.371 2.523 0.531 224 HB VAL 340 HB VAL 340 -0.824 2.729 -2.277 225 HG11 VAL 340 HG11 VAL 340 -2.665 4.000 -1.230 226 HG12 VAL 340 HG12 VAL 340 -1.963 3.723 0.367 227 HG13 VAL 340 HG13 VAL 340 -2.570 2.361 -0.579 228 HG21 VAL 340 HG21 VAL 340 0.993 4.358 -1.969 229 HG22 VAL 340 HG22 VAL 340 0.237 4.951 -0.486 230 HG23 VAL 340 HG23 VAL 340 -0.571 5.174 -2.039 231 H HIS 341 HN HIS 341 -0.868 1.014 1.519 232 HA HIS 341 HA HIS 341 -1.043 -1.662 0.356 233 HB2 HIS 341 HB2 HIS 341 -2.022 -0.791 3.115 234 HB3 HIS 341 HB1 HIS 341 -1.584 -2.421 2.590 235 HD1 HIS 341 HD1 HIS 341 -0.277 0.097 4.649 236 HD2 HIS 341 HD2 HIS 341 1.325 -2.203 1.595 237 HE1 HIS 341 HE1 HIS 341 2.236 0.268 4.892 238 HA PRO 342 HA PRO 342 -5.414 -1.240 -0.768 239 HB2 PRO 342 HB2 PRO 342 -6.235 -3.880 -0.513 240 HB3 PRO 342 HB1 PRO 342 -5.314 -3.261 -1.902 241 HG2 PRO 342 HG2 PRO 342 -4.317 -4.767 0.495 242 HG3 PRO 342 HG1 PRO 342 -3.866 -4.944 -1.213 243 HD2 PRO 342 HD2 PRO 342 -2.302 -3.596 0.552 244 HD3 PRO 342 HD1 PRO 342 -2.408 -3.129 -1.161 245 H THR 343 HN THR 343 -4.309 -2.442 2.282 246 HA THR 343 HA THR 343 -6.775 -2.482 3.709 247 HB THR 343 HB THR 343 -3.990 -2.009 4.863 248 HG1 THR 343 HG1 THR 343 -3.712 -4.190 4.862 249 HG21 THR 343 HG21 THR 343 -5.811 -1.686 6.507 250 HG22 THR 343 HG22 THR 343 -4.881 -3.139 6.876 251 HG23 THR 343 HG23 THR 343 -6.463 -3.281 6.108 252 H ASP 344 HN ASP 344 -4.384 0.035 2.953 253 HA ASP 344 HA ASP 344 -5.199 1.997 4.828 254 HB2 ASP 344 HB2 ASP 344 -3.702 2.267 2.192 255 HB3 ASP 344 HB1 ASP 344 -4.004 3.633 3.259 256 H LYS 345 HN LYS 345 -7.399 2.266 4.825 257 HA LYS 345 HA LYS 345 -8.713 3.458 2.479 258 HB2 LYS 345 HB2 LYS 345 -9.790 2.599 5.205 259 HB3 LYS 345 HB1 LYS 345 -10.764 3.452 4.008 260 HG2 LYS 345 HG2 LYS 345 -10.423 1.578 2.416 261 HG3 LYS 345 HG1 LYS 345 -9.499 0.711 3.650 262 HD2 LYS 345 HD2 LYS 345 -11.445 0.507 5.070 263 HD3 LYS 345 HD1 LYS 345 -12.382 1.608 4.055 264 HE2 LYS 345 HE2 LYS 345 -13.076 -0.702 3.663 265 HE3 LYS 345 HE1 LYS 345 -12.315 -0.052 2.214 266 HZ1 LYS 345 HZ1 LYS 345 -11.080 -1.902 4.185 267 HZ2 LYS 345 HZ2 LYS 345 -10.258 -1.212 2.882 268 HZ3 LYS 345 HZ3 LYS 345 -11.544 -2.271 2.602 269 H GLU 346 HN GLU 346 -10.110 5.414 2.989 270 HA GLU 346 HA GLU 346 -8.509 7.565 3.916 271 HB2 GLU 346 HB2 GLU 346 -10.669 8.920 3.531 272 HB3 GLU 346 HB1 GLU 346 -9.962 8.096 2.147 273 HG2 GLU 346 HG2 GLU 346 -11.640 6.296 2.347 274 HG3 GLU 346 HG1 GLU 346 -12.352 7.109 3.742 Start of MODEL 2 1 H1 ASN 312 HT1 ASN 312 -0.523 14.535 -11.238 2 H2 ASN 312 HT2 ASN 312 -0.435 16.127 -11.790 3 H3 ASN 312 HT3 ASN 312 0.170 15.732 -10.260 4 HA ASN 312 HA ASN 312 1.226 14.744 -12.849 5 HB2 ASN 312 HB2 ASN 312 3.148 16.217 -12.463 6 HB3 ASN 312 HB1 ASN 312 1.669 17.172 -12.453 7 HD21 ASN 312 HD21 ASN 312 4.278 17.783 -11.285 8 HD22 ASN 312 HD22 ASN 312 4.015 18.033 -9.598 9 H ASN 313 HN ASN 313 0.421 13.422 -10.217 10 HA ASN 313 HA ASN 313 2.785 11.795 -9.792 11 HB2 ASN 313 HB2 ASN 313 2.700 12.151 -7.272 12 HB3 ASN 313 HB1 ASN 313 3.269 13.545 -8.175 13 HD21 ASN 313 HD21 ASN 313 1.905 13.181 -5.479 14 HD22 ASN 313 HD22 ASN 313 0.625 14.338 -5.490 15 H LYS 314 HN LYS 314 1.502 10.140 -10.664 16 HA LYS 314 HA LYS 314 -0.898 9.284 -9.147 17 HB2 LYS 314 HB2 LYS 314 0.081 8.574 -11.945 18 HB3 LYS 314 HB1 LYS 314 -1.258 7.744 -11.158 19 HG2 LYS 314 HG2 LYS 314 -2.447 9.959 -10.995 20 HG3 LYS 314 HG1 LYS 314 -1.141 10.669 -11.952 21 HD2 LYS 314 HD2 LYS 314 -1.669 9.173 -13.839 22 HD3 LYS 314 HD1 LYS 314 -2.915 8.365 -12.881 23 HE2 LYS 314 HE2 LYS 314 -4.170 10.525 -12.762 24 HE3 LYS 314 HE1 LYS 314 -2.948 11.264 -13.799 25 HZ1 LYS 314 HZ1 LYS 314 -4.872 10.586 -15.053 26 HZ2 LYS 314 HZ2 LYS 314 -4.704 8.988 -14.522 27 HZ3 LYS 314 HZ3 LYS 314 -3.525 9.674 -15.525 28 H TYR 315 HN TYR 315 1.431 8.882 -7.781 29 HA TYR 315 HA TYR 315 2.497 6.224 -8.242 30 HB2 TYR 315 HB2 TYR 315 2.902 8.151 -5.920 31 HB3 TYR 315 HB1 TYR 315 3.757 6.623 -6.105 32 HD1 TYR 315 HD1 TYR 315 5.525 6.367 -7.799 33 HD2 TYR 315 HD2 TYR 315 3.463 10.089 -7.393 34 HE1 TYR 315 HE1 TYR 315 7.243 7.465 -9.158 35 HE2 TYR 315 HE2 TYR 315 5.184 11.184 -8.751 36 HH TYR 315 HH TYR 315 7.519 9.410 -10.533 37 H LYS 316 HN LYS 316 -0.038 7.679 -6.315 38 HA LYS 316 HA LYS 316 -0.400 5.406 -4.570 39 HB2 LYS 316 HB2 LYS 316 -0.862 7.788 -3.879 40 HB3 LYS 316 HB1 LYS 316 -2.265 7.785 -4.944 41 HG2 LYS 316 HG2 LYS 316 -3.286 5.985 -3.615 42 HG3 LYS 316 HG1 LYS 316 -1.851 5.929 -2.579 43 HD2 LYS 316 HD2 LYS 316 -2.277 8.300 -1.907 44 HD3 LYS 316 HD1 LYS 316 -3.754 8.292 -2.879 45 HE2 LYS 316 HE2 LYS 316 -4.683 6.508 -1.470 46 HE3 LYS 316 HE1 LYS 316 -3.193 6.458 -0.526 47 HZ1 LYS 316 HZ1 LYS 316 -3.636 8.798 0.074 48 HZ2 LYS 316 HZ2 LYS 316 -4.789 7.706 0.651 49 HZ3 LYS 316 HZ3 LYS 316 -5.139 8.680 -0.688 50 H THR 317 HN THR 317 -0.627 3.807 -6.111 51 HA THR 317 HA THR 317 -3.230 3.021 -6.895 52 HB THR 317 HB THR 317 -2.917 4.612 -8.778 53 HG1 THR 317 HG1 THR 317 -3.847 2.374 -9.055 54 HG21 THR 317 HG21 THR 317 -1.167 4.273 -10.493 55 HG22 THR 317 HG22 THR 317 -0.459 2.980 -9.527 56 HG23 THR 317 HG23 THR 317 -0.434 4.639 -8.926 57 H LYS 318 HN LYS 318 0.258 2.726 -7.108 58 HA LYS 318 HA LYS 318 0.318 -0.054 -7.834 59 HB2 LYS 318 HB2 LYS 318 2.464 1.880 -6.875 60 HB3 LYS 318 HB1 LYS 318 2.792 0.196 -7.283 61 HG2 LYS 318 HG2 LYS 318 2.015 0.572 -9.582 62 HG3 LYS 318 HG1 LYS 318 1.629 2.251 -9.189 63 HD2 LYS 318 HD2 LYS 318 3.953 2.813 -8.904 64 HD3 LYS 318 HD1 LYS 318 4.444 1.117 -8.942 65 HE2 LYS 318 HE2 LYS 318 4.967 2.276 -11.062 66 HE3 LYS 318 HE1 LYS 318 3.821 0.959 -11.306 67 HZ1 LYS 318 HZ1 LYS 318 3.220 2.946 -12.537 68 HZ2 LYS 318 HZ2 LYS 318 3.116 3.830 -11.106 69 HZ3 LYS 318 HZ3 LYS 318 2.039 2.565 -11.392 70 H LEU 319 HN LEU 319 -0.519 -1.433 -6.435 71 HA LEU 319 HA LEU 319 -0.409 -1.394 -3.619 72 HB2 LEU 319 HB2 LEU 319 -2.032 -2.765 -4.867 73 HB3 LEU 319 HB1 LEU 319 -0.735 -3.712 -5.582 74 HG LEU 319 HG LEU 319 -0.188 -4.651 -3.341 75 HD11 LEU 319 HD11 LEU 319 -2.563 -3.041 -2.356 76 HD12 LEU 319 HD12 LEU 319 -0.867 -2.788 -1.936 77 HD13 LEU 319 HD13 LEU 319 -1.685 -4.260 -1.425 78 HD21 LEU 319 HD21 LEU 319 -2.176 -6.081 -3.063 79 HD22 LEU 319 HD22 LEU 319 -1.752 -5.895 -4.761 80 HD23 LEU 319 HD23 LEU 319 -3.117 -4.996 -4.093 81 H CYS 320 HN CYS 320 1.039 -2.337 -2.181 82 HA CYS 320 HA CYS 320 3.750 -2.626 -2.783 83 HB2 CYS 320 HB2 CYS 320 2.167 -3.779 -0.454 84 HB3 CYS 320 HB1 CYS 320 3.928 -3.684 -0.525 85 H LYS 321 HN LYS 321 4.899 -4.263 -3.625 86 HA LYS 321 HA LYS 321 3.924 -6.652 -4.687 87 HB2 LYS 321 HB2 LYS 321 6.346 -7.362 -4.726 88 HB3 LYS 321 HB1 LYS 321 6.065 -5.762 -5.400 89 HG2 LYS 321 HG2 LYS 321 6.955 -4.676 -3.437 90 HG3 LYS 321 HG1 LYS 321 7.016 -6.196 -2.546 91 HD2 LYS 321 HD2 LYS 321 8.692 -5.519 -4.993 92 HD3 LYS 321 HD1 LYS 321 9.255 -5.462 -3.322 93 HE2 LYS 321 HE2 LYS 321 8.822 -7.898 -3.117 94 HE3 LYS 321 HE1 LYS 321 8.309 -7.936 -4.804 95 HZ1 LYS 321 HZ1 LYS 321 11.001 -7.161 -3.851 96 HZ2 LYS 321 HZ2 LYS 321 10.503 -7.279 -5.466 97 HZ3 LYS 321 HZ3 LYS 321 10.576 -8.665 -4.498 98 H ASN 322 HN ASN 322 4.906 -5.867 -1.466 99 HA ASN 322 HA ASN 322 5.231 -8.393 -0.268 100 HB2 ASN 322 HB2 ASN 322 4.203 -5.792 0.967 101 HB3 ASN 322 HB1 ASN 322 4.883 -7.158 1.848 102 HD21 ASN 322 HD21 ASN 322 7.089 -7.378 1.971 103 HD22 ASN 322 HD22 ASN 322 8.211 -6.229 1.335 104 H PHE 323 HN PHE 323 2.397 -6.292 -0.738 105 HA PHE 323 HA PHE 323 0.572 -8.117 0.654 106 HB2 PHE 323 HB2 PHE 323 0.268 -5.319 -0.492 107 HB3 PHE 323 HB1 PHE 323 -1.130 -6.246 0.044 108 HD1 PHE 323 HD1 PHE 323 -1.770 -6.187 2.316 109 HD2 PHE 323 HD2 PHE 323 2.178 -4.939 1.263 110 HE1 PHE 323 HE1 PHE 323 -1.403 -5.400 4.606 111 HE2 PHE 323 HE2 PHE 323 2.527 -4.157 3.560 112 HZ PHE 323 HZ PHE 323 0.744 -4.373 5.226 113 H ALA 324 HN ALA 324 1.622 -7.483 -2.568 114 HA ALA 324 HA ALA 324 -0.657 -8.161 -4.078 115 HB1 ALA 324 HB1 ALA 324 2.277 -8.489 -4.772 116 HB2 ALA 324 HB2 ALA 324 1.302 -7.046 -5.054 117 HB3 ALA 324 HB3 ALA 324 0.942 -8.539 -5.924 118 H ARG 325 HN ARG 325 -1.081 -10.176 -5.226 119 HA ARG 325 HA ARG 325 -1.180 -12.411 -3.506 120 HB2 ARG 325 HB2 ARG 325 -2.203 -13.614 -5.441 121 HB3 ARG 325 HB1 ARG 325 -2.922 -12.035 -5.141 122 HG2 ARG 325 HG2 ARG 325 -1.486 -11.118 -7.012 123 HG3 ARG 325 HG1 ARG 325 -1.013 -12.778 -7.385 124 HD2 ARG 325 HD2 ARG 325 -3.834 -11.644 -7.461 125 HD3 ARG 325 HD1 ARG 325 -2.831 -12.046 -8.859 126 HE ARG 325 HE ARG 325 -2.998 -14.378 -7.438 127 HH11 ARG 325 HH11 ARG 325 -6.530 -13.500 -9.152 128 HH12 ARG 325 HH12 ARG 325 -5.378 -12.231 -8.877 129 HH21 ARG 325 HH21 ARG 325 -6.030 -15.649 -8.546 130 HH22 ARG 325 HH22 ARG 325 -4.506 -16.022 -7.811 131 H GLY 326 HN GLY 326 0.111 -14.118 -3.188 132 HA2 GLY 326 HA2 GLY 326 1.827 -15.679 -3.687 133 HA3 GLY 326 HA1 GLY 326 2.483 -14.570 -4.891 134 H GLY 327 HN GLY 327 1.855 -12.481 -2.577 135 HA2 GLY 327 HA2 GLY 327 4.555 -12.485 -1.437 136 HA3 GLY 327 HA1 GLY 327 3.397 -11.157 -1.421 137 H THR 328 HN THR 328 4.631 -11.564 0.867 138 HA THR 328 HA THR 328 3.358 -13.566 2.548 139 HB THR 328 HB THR 328 5.816 -13.124 2.639 140 HG1 THR 328 HG1 THR 328 5.609 -13.899 4.581 141 HG21 THR 328 HG21 THR 328 6.693 -11.161 3.838 142 HG22 THR 328 HG22 THR 328 5.067 -10.503 4.005 143 HG23 THR 328 HG23 THR 328 5.801 -10.638 2.406 144 H GLY 329 HN GLY 329 2.461 -10.501 1.654 145 HA2 GLY 329 HA2 GLY 329 0.780 -9.093 2.330 146 HA3 GLY 329 HA1 GLY 329 0.446 -10.183 3.667 147 H PHE 330 HN PHE 330 3.676 -9.376 3.824 148 HA PHE 330 HA PHE 330 3.210 -7.250 5.833 149 HB2 PHE 330 HB2 PHE 330 3.838 -9.330 6.914 150 HB3 PHE 330 HB1 PHE 330 5.182 -9.570 5.808 151 HD1 PHE 330 HD1 PHE 330 7.361 -8.827 6.437 152 HD2 PHE 330 HD2 PHE 330 3.953 -7.230 8.475 153 HE1 PHE 330 HE1 PHE 330 8.842 -7.700 8.044 154 HE2 PHE 330 HE2 PHE 330 5.441 -6.113 10.074 155 HZ PHE 330 HZ PHE 330 7.884 -6.343 9.866 156 H CYS 331 HN CYS 331 3.940 -5.321 5.021 157 HA CYS 331 HA CYS 331 6.417 -5.111 3.492 158 HB2 CYS 331 HB2 CYS 331 4.653 -2.970 4.762 159 HB3 CYS 331 HB1 CYS 331 6.120 -2.620 3.852 160 HA PRO 332 HA PRO 332 9.053 -5.340 7.211 161 HB2 PRO 332 HB2 PRO 332 10.977 -3.783 5.466 162 HB3 PRO 332 HB1 PRO 332 11.235 -5.306 6.346 163 HG2 PRO 332 HG2 PRO 332 10.951 -5.333 3.718 164 HG3 PRO 332 HG1 PRO 332 10.176 -6.590 4.715 165 HD2 PRO 332 HD2 PRO 332 8.921 -4.155 3.444 166 HD3 PRO 332 HD1 PRO 332 8.304 -5.821 3.547 167 H TYR 333 HN TYR 333 8.434 -2.370 5.458 168 HA TYR 333 HA TYR 333 9.486 -0.601 7.525 169 HB2 TYR 333 HB2 TYR 333 8.004 0.088 4.951 170 HB3 TYR 333 HB1 TYR 333 8.905 1.210 5.968 171 HD1 TYR 333 HD1 TYR 333 11.415 1.124 6.021 172 HD2 TYR 333 HD2 TYR 333 9.173 -1.418 3.409 173 HE1 TYR 333 HE1 TYR 333 13.454 0.641 4.748 174 HE2 TYR 333 HE2 TYR 333 11.211 -1.894 2.134 175 HH TYR 333 HH TYR 333 14.308 -1.148 3.263 176 H GLY 334 HN GLY 334 6.482 -2.089 6.808 177 HA2 GLY 334 HA2 GLY 334 4.413 -2.049 7.785 178 HA3 GLY 334 HA1 GLY 334 5.152 -1.177 9.119 179 H LEU 335 HN LEU 335 4.133 0.691 9.512 180 HA LEU 335 HA LEU 335 2.289 1.973 7.800 181 HB2 LEU 335 HB2 LEU 335 2.230 2.108 10.270 182 HB3 LEU 335 HB1 LEU 335 3.736 3.004 10.270 183 HG LEU 335 HG LEU 335 2.565 4.890 9.083 184 HD11 LEU 335 HD11 LEU 335 0.105 4.955 9.017 185 HD12 LEU 335 HD12 LEU 335 0.039 3.282 9.577 186 HD13 LEU 335 HD13 LEU 335 0.752 3.662 8.009 187 HD21 LEU 335 HD21 LEU 335 1.360 5.736 11.055 188 HD22 LEU 335 HD22 LEU 335 2.875 4.969 11.523 189 HD23 LEU 335 HD23 LEU 335 1.345 4.119 11.764 190 H ARG 336 HN ARG 336 5.709 2.359 8.295 191 HA ARG 336 HA ARG 336 5.934 4.955 7.003 192 HB2 ARG 336 HB2 ARG 336 8.096 3.039 7.967 193 HB3 ARG 336 HB1 ARG 336 8.338 4.729 7.515 194 HG2 ARG 336 HG2 ARG 336 6.950 5.460 9.409 195 HG3 ARG 336 HG1 ARG 336 6.600 3.782 9.825 196 HD2 ARG 336 HD2 ARG 336 9.013 3.419 10.286 197 HD3 ARG 336 HD1 ARG 336 9.320 5.124 9.933 198 HE ARG 336 HE ARG 336 7.317 4.986 11.893 199 HH11 ARG 336 HH11 ARG 336 11.040 4.560 13.346 200 HH12 ARG 336 HH12 ARG 336 10.748 4.274 11.662 201 HH21 ARG 336 HH21 ARG 336 7.720 5.339 14.088 202 HH22 ARG 336 HH22 ARG 336 9.325 5.165 14.721 203 H CYS 337 HN CYS 337 5.403 1.963 5.753 204 HA CYS 337 HA CYS 337 7.213 1.694 3.621 205 HB2 CYS 337 HB2 CYS 337 5.817 -0.170 4.216 206 HB3 CYS 337 HB1 CYS 337 4.347 0.753 3.942 207 H GLU 338 HN GLU 338 7.301 2.577 1.626 208 HA GLU 338 HA GLU 338 5.968 5.113 1.237 209 HB2 GLU 338 HB2 GLU 338 8.095 3.701 -0.438 210 HB3 GLU 338 HB1 GLU 338 7.616 5.391 -0.592 211 HG2 GLU 338 HG2 GLU 338 8.444 5.836 1.693 212 HG3 GLU 338 HG1 GLU 338 8.919 4.148 1.855 213 H PHE 339 HN PHE 339 5.332 1.915 0.263 214 HA PHE 339 HA PHE 339 3.868 2.717 -2.184 215 HB2 PHE 339 HB2 PHE 339 4.723 -0.062 -1.250 216 HB3 PHE 339 HB1 PHE 339 3.853 0.283 -2.745 217 HD1 PHE 339 HD1 PHE 339 7.113 0.526 -1.017 218 HD2 PHE 339 HD2 PHE 339 5.013 1.313 -4.663 219 HE1 PHE 339 HE1 PHE 339 9.247 0.895 -2.173 220 HE2 PHE 339 HE2 PHE 339 7.153 1.675 -5.807 221 HZ PHE 339 HZ PHE 339 9.272 1.470 -4.566 222 H VAL 340 HN VAL 340 1.814 1.512 -2.550 223 HA VAL 340 HA VAL 340 0.100 2.330 -0.348 224 HB VAL 340 HB VAL 340 -0.757 1.320 -3.104 225 HG11 VAL 340 HG11 VAL 340 -2.205 3.106 -1.087 226 HG12 VAL 340 HG12 VAL 340 -2.600 1.424 -1.455 227 HG13 VAL 340 HG13 VAL 340 -2.807 2.667 -2.687 228 HG21 VAL 340 HG21 VAL 340 0.843 3.174 -3.388 229 HG22 VAL 340 HG22 VAL 340 -0.103 4.185 -2.292 230 HG23 VAL 340 HG23 VAL 340 -0.786 3.680 -3.840 231 H HIS 341 HN HIS 341 -0.999 1.035 0.950 232 HA HIS 341 HA HIS 341 -1.003 -1.880 0.626 233 HB2 HIS 341 HB2 HIS 341 -1.958 -0.164 2.977 234 HB3 HIS 341 HB1 HIS 341 -1.763 -1.923 2.994 235 HD1 HIS 341 HD1 HIS 341 -0.147 0.343 4.750 236 HD2 HIS 341 HD2 HIS 341 1.240 -1.851 1.515 237 HE1 HIS 341 HE1 HIS 341 2.368 0.371 4.902 238 HA PRO 342 HA PRO 342 -5.188 -1.899 -0.904 239 HB2 PRO 342 HB2 PRO 342 -6.157 -4.334 -0.140 240 HB3 PRO 342 HB1 PRO 342 -4.815 -4.181 -1.303 241 HG2 PRO 342 HG2 PRO 342 -4.716 -4.867 1.616 242 HG3 PRO 342 HG1 PRO 342 -3.787 -5.542 0.259 243 HD2 PRO 342 HD2 PRO 342 -2.826 -3.598 1.997 244 HD3 PRO 342 HD1 PRO 342 -2.199 -3.880 0.362 245 H THR 343 HN THR 343 -4.691 -2.189 2.524 246 HA THR 343 HA THR 343 -7.294 -0.889 3.056 247 HB THR 343 HB THR 343 -5.395 -2.088 5.138 248 HG1 THR 343 HG1 THR 343 -7.595 -3.250 3.741 249 HG21 THR 343 HG21 THR 343 -7.023 -0.430 6.034 250 HG22 THR 343 HG22 THR 343 -7.397 -2.057 6.603 251 HG23 THR 343 HG23 THR 343 -8.349 -1.336 5.306 252 H ASP 344 HN ASP 344 -6.122 0.887 1.873 253 HA ASP 344 HA ASP 344 -3.967 2.301 3.163 254 HB2 ASP 344 HB2 ASP 344 -4.293 2.333 0.677 255 HB3 ASP 344 HB1 ASP 344 -5.810 3.199 0.890 256 H LYS 345 HN LYS 345 -4.097 4.157 4.428 257 HA LYS 345 HA LYS 345 -6.743 5.182 5.276 258 HB2 LYS 345 HB2 LYS 345 -4.492 4.367 7.181 259 HB3 LYS 345 HB1 LYS 345 -6.023 5.085 7.658 260 HG2 LYS 345 HG2 LYS 345 -5.694 2.346 6.383 261 HG3 LYS 345 HG1 LYS 345 -5.895 2.650 8.111 262 HD2 LYS 345 HD2 LYS 345 -7.934 3.277 5.933 263 HD3 LYS 345 HD1 LYS 345 -8.017 1.933 7.073 264 HE2 LYS 345 HE2 LYS 345 -8.207 4.892 7.729 265 HE3 LYS 345 HE1 LYS 345 -9.507 3.705 7.816 266 HZ1 LYS 345 HZ1 LYS 345 -8.200 2.565 9.571 267 HZ2 LYS 345 HZ2 LYS 345 -8.689 4.125 10.000 268 HZ3 LYS 345 HZ3 LYS 345 -7.090 3.843 9.538 269 H GLU 346 HN GLU 346 -6.561 7.265 6.488 270 HA GLU 346 HA GLU 346 -4.369 9.005 5.653 271 HB2 GLU 346 HB2 GLU 346 -6.882 9.523 7.313 272 HB3 GLU 346 HB1 GLU 346 -5.642 10.744 7.082 273 HG2 GLU 346 HG2 GLU 346 -7.354 11.257 5.543 274 HG3 GLU 346 HG1 GLU 346 -6.047 10.566 4.588 Start of MODEL 3 1 H1 ASN 312 HT1 ASN 312 -13.090 10.510 -5.499 2 H2 ASN 312 HT2 ASN 312 -13.544 9.686 -4.099 3 H3 ASN 312 HT3 ASN 312 -12.848 8.842 -5.393 4 HA ASN 312 HA ASN 312 -10.783 9.995 -5.097 5 HB2 ASN 312 HB2 ASN 312 -10.426 11.529 -3.209 6 HB3 ASN 312 HB1 ASN 312 -11.729 12.123 -4.227 7 HD21 ASN 312 HD21 ASN 312 -11.104 12.736 -1.437 8 HD22 ASN 312 HD22 ASN 312 -12.521 12.346 -0.527 9 H ASN 313 HN ASN 313 -12.738 7.781 -3.801 10 HA ASN 313 HA ASN 313 -11.141 6.846 -1.565 11 HB2 ASN 313 HB2 ASN 313 -13.484 5.520 -3.019 12 HB3 ASN 313 HB1 ASN 313 -12.752 4.943 -1.527 13 HD21 ASN 313 HD21 ASN 313 -14.721 5.056 -0.455 14 HD22 ASN 313 HD22 ASN 313 -15.437 6.552 0.027 15 H LYS 314 HN LYS 314 -9.219 6.913 -3.072 16 HA LYS 314 HA LYS 314 -8.597 4.227 -3.961 17 HB2 LYS 314 HB2 LYS 314 -9.607 5.311 -6.009 18 HB3 LYS 314 HB1 LYS 314 -8.331 6.517 -5.964 19 HG2 LYS 314 HG2 LYS 314 -7.852 4.792 -7.632 20 HG3 LYS 314 HG1 LYS 314 -6.638 4.766 -6.350 21 HD2 LYS 314 HD2 LYS 314 -7.740 2.824 -5.318 22 HD3 LYS 314 HD1 LYS 314 -9.017 2.870 -6.537 23 HE2 LYS 314 HE2 LYS 314 -6.076 2.330 -7.077 24 HE3 LYS 314 HE1 LYS 314 -7.350 1.112 -7.010 25 HZ1 LYS 314 HZ1 LYS 314 -7.206 3.350 -8.957 26 HZ2 LYS 314 HZ2 LYS 314 -8.405 2.158 -8.912 27 HZ3 LYS 314 HZ3 LYS 314 -6.810 1.742 -9.280 28 H TYR 315 HN TYR 315 -7.518 4.802 -1.933 29 HA TYR 315 HA TYR 315 -5.273 6.534 -1.814 30 HB2 TYR 315 HB2 TYR 315 -5.910 4.018 -0.201 31 HB3 TYR 315 HB1 TYR 315 -4.679 5.202 0.221 32 HD1 TYR 315 HD1 TYR 315 -8.342 4.606 -0.009 33 HD2 TYR 315 HD2 TYR 315 -5.286 7.326 1.248 34 HE1 TYR 315 HE1 TYR 315 -10.013 5.908 1.255 35 HE2 TYR 315 HE2 TYR 315 -6.952 8.613 2.501 36 HH TYR 315 HH TYR 315 -9.955 7.483 3.280 37 H LYS 316 HN LYS 316 -5.787 3.205 -2.702 38 HA LYS 316 HA LYS 316 -3.149 2.229 -2.902 39 HB2 LYS 316 HB2 LYS 316 -5.257 0.885 -2.710 40 HB3 LYS 316 HB1 LYS 316 -5.694 1.376 -4.342 41 HG2 LYS 316 HG2 LYS 316 -3.622 0.179 -5.171 42 HG3 LYS 316 HG1 LYS 316 -3.391 -0.434 -3.526 43 HD2 LYS 316 HD2 LYS 316 -5.685 -1.458 -3.636 44 HD3 LYS 316 HD1 LYS 316 -5.819 -0.914 -5.310 45 HE2 LYS 316 HE2 LYS 316 -3.858 -2.344 -5.886 46 HE3 LYS 316 HE1 LYS 316 -3.821 -2.923 -4.215 47 HZ1 LYS 316 HZ1 LYS 316 -5.978 -3.316 -6.215 48 HZ2 LYS 316 HZ2 LYS 316 -6.168 -3.677 -4.576 49 HZ3 LYS 316 HZ3 LYS 316 -5.012 -4.503 -5.489 50 H THR 317 HN THR 317 -2.035 3.964 -4.020 51 HA THR 317 HA THR 317 -2.544 4.496 -6.837 52 HB THR 317 HB THR 317 -1.621 6.352 -5.584 53 HG1 THR 317 HG1 THR 317 -0.534 6.817 -7.328 54 HG21 THR 317 HG21 THR 317 0.792 4.620 -4.930 55 HG22 THR 317 HG22 THR 317 -0.448 5.128 -3.782 56 HG23 THR 317 HG23 THR 317 0.599 6.335 -4.528 57 H LYS 318 HN LYS 318 -0.190 2.711 -4.901 58 HA LYS 318 HA LYS 318 0.492 0.945 -7.130 59 HB2 LYS 318 HB2 LYS 318 2.495 2.634 -5.571 60 HB3 LYS 318 HB1 LYS 318 2.976 1.143 -6.373 61 HG2 LYS 318 HG2 LYS 318 2.480 2.041 -8.549 62 HG3 LYS 318 HG1 LYS 318 1.675 3.452 -7.860 63 HD2 LYS 318 HD2 LYS 318 4.646 2.836 -7.559 64 HD3 LYS 318 HD1 LYS 318 3.966 3.947 -8.753 65 HE2 LYS 318 HE2 LYS 318 3.767 4.255 -5.732 66 HE3 LYS 318 HE1 LYS 318 4.842 5.162 -6.793 67 HZ1 LYS 318 HZ1 LYS 318 1.870 5.245 -6.920 68 HZ2 LYS 318 HZ2 LYS 318 2.938 6.153 -7.863 69 HZ3 LYS 318 HZ3 LYS 318 2.852 6.417 -6.200 70 H LEU 319 HN LEU 319 -0.271 -0.844 -6.256 71 HA LEU 319 HA LEU 319 -0.356 -1.630 -3.572 72 HB2 LEU 319 HB2 LEU 319 -1.742 -2.686 -5.264 73 HB3 LEU 319 HB1 LEU 319 -0.338 -3.231 -6.159 74 HG LEU 319 HG LEU 319 0.219 -4.797 -4.270 75 HD11 LEU 319 HD11 LEU 319 -0.848 -3.626 -2.422 76 HD12 LEU 319 HD12 LEU 319 -1.443 -5.280 -2.535 77 HD13 LEU 319 HD13 LEU 319 -2.444 -3.940 -3.109 78 HD21 LEU 319 HD21 LEU 319 -2.550 -5.177 -5.446 79 HD22 LEU 319 HD22 LEU 319 -1.525 -6.445 -4.763 80 HD23 LEU 319 HD23 LEU 319 -1.021 -5.597 -6.224 81 H CYS 320 HN CYS 320 1.110 -2.555 -2.250 82 HA CYS 320 HA CYS 320 3.867 -2.910 -2.844 83 HB2 CYS 320 HB2 CYS 320 2.206 -4.110 -0.583 84 HB3 CYS 320 HB1 CYS 320 3.964 -3.961 -0.611 85 H LYS 321 HN LYS 321 4.902 -4.698 -3.698 86 HA LYS 321 HA LYS 321 3.578 -7.016 -4.629 87 HB2 LYS 321 HB2 LYS 321 5.804 -7.950 -5.057 88 HB3 LYS 321 HB1 LYS 321 5.760 -6.258 -5.543 89 HG2 LYS 321 HG2 LYS 321 6.951 -5.619 -3.490 90 HG3 LYS 321 HG1 LYS 321 6.971 -7.306 -2.964 91 HD2 LYS 321 HD2 LYS 321 8.353 -7.914 -4.910 92 HD3 LYS 321 HD1 LYS 321 8.305 -6.244 -5.492 93 HE2 LYS 321 HE2 LYS 321 9.564 -7.220 -2.905 94 HE3 LYS 321 HE1 LYS 321 10.422 -6.687 -4.351 95 HZ1 LYS 321 HZ1 LYS 321 10.359 -4.957 -2.678 96 HZ2 LYS 321 HZ2 LYS 321 8.669 -4.995 -2.651 97 HZ3 LYS 321 HZ3 LYS 321 9.481 -4.477 -4.036 98 H ASN 322 HN ASN 322 4.807 -6.111 -1.530 99 HA ASN 322 HA ASN 322 4.973 -8.595 -0.190 100 HB2 ASN 322 HB2 ASN 322 4.059 -5.914 0.978 101 HB3 ASN 322 HB1 ASN 322 4.733 -7.277 1.874 102 HD21 ASN 322 HD21 ASN 322 6.969 -7.571 1.880 103 HD22 ASN 322 HD22 ASN 322 8.071 -6.434 1.199 104 H PHE 323 HN PHE 323 2.308 -6.289 -0.681 105 HA PHE 323 HA PHE 323 0.337 -8.002 0.631 106 HB2 PHE 323 HB2 PHE 323 0.233 -5.170 -0.481 107 HB3 PHE 323 HB1 PHE 323 -1.227 -6.021 0.010 108 HD1 PHE 323 HD1 PHE 323 -1.995 -5.712 2.210 109 HD2 PHE 323 HD2 PHE 323 2.171 -5.126 1.405 110 HE1 PHE 323 HE1 PHE 323 -1.647 -4.972 4.530 111 HE2 PHE 323 HE2 PHE 323 2.502 -4.385 3.736 112 HZ PHE 323 HZ PHE 323 0.597 -4.310 5.294 113 H ALA 324 HN ALA 324 1.657 -7.931 -2.363 114 HA ALA 324 HA ALA 324 -0.696 -8.731 -3.884 115 HB1 ALA 324 HB1 ALA 324 2.251 -8.799 -4.650 116 HB2 ALA 324 HB2 ALA 324 1.119 -7.498 -5.024 117 HB3 ALA 324 HB3 ALA 324 0.890 -9.094 -5.740 118 H ARG 325 HN ARG 325 -0.732 -10.873 -4.951 119 HA ARG 325 HA ARG 325 -0.463 -12.970 -3.005 120 HB2 ARG 325 HB2 ARG 325 -1.467 -12.943 -5.878 121 HB3 ARG 325 HB1 ARG 325 -1.297 -14.444 -4.978 122 HG2 ARG 325 HG2 ARG 325 -3.597 -13.751 -4.837 123 HG3 ARG 325 HG1 ARG 325 -2.858 -13.569 -3.248 124 HD2 ARG 325 HD2 ARG 325 -2.536 -11.087 -3.857 125 HD3 ARG 325 HD1 ARG 325 -3.621 -11.389 -5.216 126 HE ARG 325 HE ARG 325 -5.005 -12.316 -3.067 127 HH11 ARG 325 HH11 ARG 325 -3.510 -9.192 -3.788 128 HH12 ARG 325 HH12 ARG 325 -4.648 -8.314 -2.819 129 HH21 ARG 325 HH21 ARG 325 -6.291 -9.415 -1.678 130 HH22 ARG 325 HH22 ARG 325 -6.423 -11.144 -1.754 131 H GLY 326 HN GLY 326 1.182 -14.307 -2.702 132 HA2 GLY 326 HA2 GLY 326 3.061 -15.650 -3.470 133 HA3 GLY 326 HA1 GLY 326 3.420 -14.415 -4.670 134 H GLY 327 HN GLY 327 2.781 -12.305 -2.560 135 HA2 GLY 327 HA2 GLY 327 5.322 -12.226 -1.106 136 HA3 GLY 327 HA1 GLY 327 4.103 -10.958 -1.188 137 H THR 328 HN THR 328 5.226 -11.584 1.254 138 HA THR 328 HA THR 328 3.796 -13.572 2.752 139 HB THR 328 HB THR 328 4.929 -12.581 4.740 140 HG1 THR 328 HG1 THR 328 6.234 -10.735 4.450 141 HG21 THR 328 HG21 THR 328 6.215 -14.194 3.369 142 HG22 THR 328 HG22 THR 328 7.279 -12.950 4.029 143 HG23 THR 328 HG23 THR 328 6.785 -12.878 2.337 144 H GLY 329 HN GLY 329 3.286 -10.206 2.058 145 HA2 GLY 329 HA2 GLY 329 1.206 -9.096 2.276 146 HA3 GLY 329 HA1 GLY 329 0.776 -10.151 3.614 147 H PHE 330 HN PHE 330 3.870 -9.400 4.255 148 HA PHE 330 HA PHE 330 3.183 -7.010 5.877 149 HB2 PHE 330 HB2 PHE 330 5.269 -9.154 6.515 150 HB3 PHE 330 HB1 PHE 330 4.750 -7.834 7.567 151 HD1 PHE 330 HD1 PHE 330 2.186 -7.776 8.186 152 HD2 PHE 330 HD2 PHE 330 4.199 -11.265 6.723 153 HE1 PHE 330 HE1 PHE 330 0.398 -9.205 9.099 154 HE2 PHE 330 HE2 PHE 330 2.404 -12.677 7.650 155 HZ PHE 330 HZ PHE 330 0.510 -11.649 8.832 156 H CYS 331 HN CYS 331 4.108 -5.223 5.019 157 HA CYS 331 HA CYS 331 6.556 -5.222 3.508 158 HB2 CYS 331 HB2 CYS 331 4.971 -2.927 4.736 159 HB3 CYS 331 HB1 CYS 331 6.347 -2.743 3.637 160 HA PRO 332 HA PRO 332 9.402 -5.298 7.049 161 HB2 PRO 332 HB2 PRO 332 11.187 -3.635 5.265 162 HB3 PRO 332 HB1 PRO 332 11.536 -5.154 6.125 163 HG2 PRO 332 HG2 PRO 332 11.143 -5.208 3.503 164 HG3 PRO 332 HG1 PRO 332 10.448 -6.480 4.536 165 HD2 PRO 332 HD2 PRO 332 9.071 -4.093 3.304 166 HD3 PRO 332 HD1 PRO 332 8.506 -5.777 3.430 167 H TYR 333 HN TYR 333 8.619 -2.299 5.411 168 HA TYR 333 HA TYR 333 9.507 -0.531 7.516 169 HB2 TYR 333 HB2 TYR 333 7.911 -0.077 4.966 170 HB3 TYR 333 HB1 TYR 333 8.299 1.219 6.091 171 HD1 TYR 333 HD1 TYR 333 9.856 -1.339 3.842 172 HD2 TYR 333 HD2 TYR 333 10.391 2.329 5.978 173 HE1 TYR 333 HE1 TYR 333 11.987 -0.968 2.681 174 HE2 TYR 333 HE2 TYR 333 12.525 2.693 4.814 175 HH TYR 333 HH TYR 333 14.262 1.298 3.635 176 H GLY 334 HN GLY 334 6.520 -2.144 6.618 177 HA2 GLY 334 HA2 GLY 334 4.542 -2.408 7.740 178 HA3 GLY 334 HA1 GLY 334 5.219 -1.512 9.093 179 H LEU 335 HN LEU 335 3.981 0.210 9.545 180 HA LEU 335 HA LEU 335 2.169 1.553 7.861 181 HB2 LEU 335 HB2 LEU 335 2.027 1.734 10.297 182 HB3 LEU 335 HB1 LEU 335 3.608 2.492 10.378 183 HG LEU 335 HG LEU 335 2.632 4.487 9.125 184 HD11 LEU 335 HD11 LEU 335 0.208 4.790 9.039 185 HD12 LEU 335 HD12 LEU 335 -0.038 3.149 9.642 186 HD13 LEU 335 HD13 LEU 335 0.714 3.408 8.067 187 HD21 LEU 335 HD21 LEU 335 2.967 4.545 11.541 188 HD22 LEU 335 HD22 LEU 335 1.372 3.836 11.804 189 HD23 LEU 335 HD23 LEU 335 1.517 5.444 11.091 190 H ARG 336 HN ARG 336 5.599 1.993 8.443 191 HA ARG 336 HA ARG 336 5.902 4.594 7.268 192 HB2 ARG 336 HB2 ARG 336 7.953 2.458 7.976 193 HB3 ARG 336 HB1 ARG 336 8.336 4.123 7.543 194 HG2 ARG 336 HG2 ARG 336 7.223 4.952 9.550 195 HG3 ARG 336 HG1 ARG 336 6.688 3.321 9.970 196 HD2 ARG 336 HD2 ARG 336 8.664 4.056 11.291 197 HD3 ARG 336 HD1 ARG 336 8.996 2.612 10.327 198 HE ARG 336 HE ARG 336 9.705 5.051 8.979 199 HH11 ARG 336 HH11 ARG 336 10.912 2.722 11.346 200 HH12 ARG 336 HH12 ARG 336 12.574 3.108 11.030 201 HH21 ARG 336 HH21 ARG 336 11.864 5.514 8.567 202 HH22 ARG 336 HH22 ARG 336 13.112 4.693 9.449 203 H CYS 337 HN CYS 337 5.162 1.785 5.749 204 HA CYS 337 HA CYS 337 6.967 1.612 3.573 205 HB2 CYS 337 HB2 CYS 337 5.540 -0.257 4.180 206 HB3 CYS 337 HB1 CYS 337 4.093 0.688 3.885 207 H GLU 338 HN GLU 338 7.104 2.749 1.763 208 HA GLU 338 HA GLU 338 5.581 5.139 1.300 209 HB2 GLU 338 HB2 GLU 338 7.057 5.407 -0.700 210 HB3 GLU 338 HB1 GLU 338 7.963 5.106 0.781 211 HG2 GLU 338 HG2 GLU 338 8.129 2.682 0.092 212 HG3 GLU 338 HG1 GLU 338 7.402 3.129 -1.449 213 H PHE 339 HN PHE 339 5.716 1.920 -0.233 214 HA PHE 339 HA PHE 339 3.779 2.458 -2.285 215 HB2 PHE 339 HB2 PHE 339 4.692 -0.179 -1.044 216 HB3 PHE 339 HB1 PHE 339 3.623 -0.064 -2.436 217 HD1 PHE 339 HD1 PHE 339 7.107 0.276 -1.261 218 HD2 PHE 339 HD2 PHE 339 4.485 0.605 -4.634 219 HE1 PHE 339 HE1 PHE 339 9.046 0.284 -2.775 220 HE2 PHE 339 HE2 PHE 339 6.435 0.612 -6.140 221 HZ PHE 339 HZ PHE 339 8.713 0.454 -5.211 222 H VAL 340 HN VAL 340 1.620 2.588 -2.040 223 HA VAL 340 HA VAL 340 0.519 2.538 0.624 224 HB VAL 340 HB VAL 340 -0.939 3.089 -2.005 225 HG11 VAL 340 HG11 VAL 340 -1.746 3.680 0.876 226 HG12 VAL 340 HG12 VAL 340 -2.501 2.506 -0.204 227 HG13 VAL 340 HG13 VAL 340 -2.622 4.230 -0.555 228 HG21 VAL 340 HG21 VAL 340 -0.646 5.488 -1.463 229 HG22 VAL 340 HG22 VAL 340 0.908 4.683 -1.681 230 HG23 VAL 340 HG23 VAL 340 0.330 5.053 -0.056 231 H HIS 341 HN HIS 341 -0.846 1.127 1.486 232 HA HIS 341 HA HIS 341 -1.019 -1.537 0.363 233 HB2 HIS 341 HB2 HIS 341 -2.013 -0.445 3.039 234 HB3 HIS 341 HB1 HIS 341 -1.845 -2.151 2.615 235 HD1 HIS 341 HD1 HIS 341 -0.324 -0.906 5.056 236 HD2 HIS 341 HD2 HIS 341 1.251 -1.345 1.239 237 HE1 HIS 341 HE1 HIS 341 2.198 -0.923 5.324 238 HA PRO 342 HA PRO 342 -5.185 -1.178 -1.221 239 HB2 PRO 342 HB2 PRO 342 -6.142 -3.725 -1.025 240 HB3 PRO 342 HB1 PRO 342 -4.805 -3.312 -2.121 241 HG2 PRO 342 HG2 PRO 342 -4.670 -4.541 0.619 242 HG3 PRO 342 HG1 PRO 342 -3.813 -5.019 -0.866 243 HD2 PRO 342 HD2 PRO 342 -2.639 -3.493 1.067 244 HD3 PRO 342 HD1 PRO 342 -2.219 -3.330 -0.651 245 H THR 343 HN THR 343 -4.651 -2.091 2.052 246 HA THR 343 HA THR 343 -7.442 -1.916 2.901 247 HB THR 343 HB THR 343 -6.366 -2.375 5.200 248 HG1 THR 343 HG1 THR 343 -4.133 -3.389 4.706 249 HG21 THR 343 HG21 THR 343 -5.919 -4.758 4.738 250 HG22 THR 343 HG22 THR 343 -5.870 -4.423 3.006 251 HG23 THR 343 HG23 THR 343 -7.376 -4.215 3.904 252 H ASP 344 HN ASP 344 -4.828 0.221 2.424 253 HA ASP 344 HA ASP 344 -4.956 1.961 4.641 254 HB2 ASP 344 HB2 ASP 344 -3.106 1.941 2.922 255 HB3 ASP 344 HB1 ASP 344 -4.205 2.679 1.764 256 H LYS 345 HN LYS 345 -6.326 3.592 5.145 257 HA LYS 345 HA LYS 345 -8.360 4.622 3.324 258 HB2 LYS 345 HB2 LYS 345 -10.237 3.871 4.785 259 HB3 LYS 345 HB1 LYS 345 -9.367 2.504 4.094 260 HG2 LYS 345 HG2 LYS 345 -8.155 2.186 6.234 261 HG3 LYS 345 HG1 LYS 345 -9.030 3.547 6.936 262 HD2 LYS 345 HD2 LYS 345 -10.264 0.933 5.966 263 HD3 LYS 345 HD1 LYS 345 -9.995 1.386 7.651 264 HE2 LYS 345 HE2 LYS 345 -11.552 3.353 7.272 265 HE3 LYS 345 HE1 LYS 345 -11.913 2.678 5.683 266 HZ1 LYS 345 HZ1 LYS 345 -12.402 1.357 8.300 267 HZ2 LYS 345 HZ2 LYS 345 -12.700 0.655 6.796 268 HZ3 LYS 345 HZ3 LYS 345 -13.580 2.016 7.274 269 H GLU 346 HN GLU 346 -6.103 5.745 4.790 270 HA GLU 346 HA GLU 346 -6.972 6.936 7.252 271 HB2 GLU 346 HB2 GLU 346 -4.545 7.635 5.540 272 HB3 GLU 346 HB1 GLU 346 -4.815 8.152 7.203 273 HG2 GLU 346 HG2 GLU 346 -4.843 5.650 7.813 274 HG3 GLU 346 HG1 GLU 346 -4.227 5.352 6.189 Start of MODEL 4 1 H1 ASN 312 HT1 ASN 312 -12.813 -3.761 -5.605 2 H2 ASN 312 HT2 ASN 312 -11.881 -2.377 -5.850 3 H3 ASN 312 HT3 ASN 312 -12.453 -2.748 -4.305 4 HA ASN 312 HA ASN 312 -11.128 -4.726 -4.219 5 HB2 ASN 312 HB2 ASN 312 -9.483 -5.256 -5.958 6 HB3 ASN 312 HB1 ASN 312 -11.089 -5.186 -6.667 7 HD21 ASN 312 HD21 ASN 312 -11.542 -3.584 -8.191 8 HD22 ASN 312 HD22 ASN 312 -10.325 -2.552 -8.857 9 H ASN 313 HN ASN 313 -10.708 -1.345 -4.624 10 HA ASN 313 HA ASN 313 -7.959 -1.442 -3.516 11 HB2 ASN 313 HB2 ASN 313 -7.131 0.051 -5.062 12 HB3 ASN 313 HB1 ASN 313 -8.372 -0.666 -6.063 13 HD21 ASN 313 HD21 ASN 313 -10.272 0.572 -6.504 14 HD22 ASN 313 HD22 ASN 313 -10.261 2.292 -6.332 15 H LYS 314 HN LYS 314 -7.340 0.208 -2.125 16 HA LYS 314 HA LYS 314 -9.284 2.242 -1.275 17 HB2 LYS 314 HB2 LYS 314 -9.470 0.424 0.413 18 HB3 LYS 314 HB1 LYS 314 -7.726 0.432 0.637 19 HG2 LYS 314 HG2 LYS 314 -8.885 1.583 2.487 20 HG3 LYS 314 HG1 LYS 314 -7.814 2.680 1.607 21 HD2 LYS 314 HD2 LYS 314 -9.825 3.523 0.340 22 HD3 LYS 314 HD1 LYS 314 -10.848 2.512 1.367 23 HE2 LYS 314 HE2 LYS 314 -10.787 4.867 2.133 24 HE3 LYS 314 HE1 LYS 314 -10.141 3.766 3.348 25 HZ1 LYS 314 HZ1 LYS 314 -7.905 4.394 2.708 26 HZ2 LYS 314 HZ2 LYS 314 -8.794 5.777 3.102 27 HZ3 LYS 314 HZ3 LYS 314 -8.494 5.400 1.482 28 H TYR 315 HN TYR 315 -8.131 3.668 -2.475 29 HA TYR 315 HA TYR 315 -6.646 5.264 -3.020 30 HB2 TYR 315 HB2 TYR 315 -6.742 5.783 -0.575 31 HB3 TYR 315 HB1 TYR 315 -5.406 4.680 -0.290 32 HD1 TYR 315 HD1 TYR 315 -3.260 5.656 -0.070 33 HD2 TYR 315 HD2 TYR 315 -6.212 7.714 -2.382 34 HE1 TYR 315 HE1 TYR 315 -1.683 7.502 -0.432 35 HE2 TYR 315 HE2 TYR 315 -4.627 9.555 -2.749 36 HH TYR 315 HH TYR 315 -2.598 10.506 -1.563 37 H LYS 316 HN LYS 316 -6.094 2.306 -3.545 38 HA LYS 316 HA LYS 316 -3.290 1.836 -3.393 39 HB2 LYS 316 HB2 LYS 316 -4.853 -0.037 -3.475 40 HB3 LYS 316 HB1 LYS 316 -5.410 0.444 -5.075 41 HG2 LYS 316 HG2 LYS 316 -3.160 -0.055 -6.008 42 HG3 LYS 316 HG1 LYS 316 -2.597 -0.516 -4.402 43 HD2 LYS 316 HD2 LYS 316 -3.127 -2.476 -5.827 44 HD3 LYS 316 HD1 LYS 316 -4.106 -2.424 -4.363 45 HE2 LYS 316 HE2 LYS 316 -5.448 -3.102 -6.304 46 HE3 LYS 316 HE1 LYS 316 -6.016 -1.553 -5.681 47 HZ1 LYS 316 HZ1 LYS 316 -4.593 -0.507 -7.452 48 HZ2 LYS 316 HZ2 LYS 316 -5.935 -1.361 -8.014 49 HZ3 LYS 316 HZ3 LYS 316 -4.398 -2.048 -8.112 50 H THR 317 HN THR 317 -2.327 3.624 -4.259 51 HA THR 317 HA THR 317 -2.316 4.084 -7.170 52 HB THR 317 HB THR 317 -0.856 6.078 -6.478 53 HG1 THR 317 HG1 THR 317 -1.788 5.674 -3.835 54 HG21 THR 317 HG21 THR 317 -2.701 7.439 -5.555 55 HG22 THR 317 HG22 THR 317 -3.616 5.970 -5.202 56 HG23 THR 317 HG23 THR 317 -3.271 6.419 -6.878 57 H LYS 318 HN LYS 318 -0.076 3.714 -4.447 58 HA LYS 318 HA LYS 318 1.948 2.370 -6.123 59 HB2 LYS 318 HB2 LYS 318 2.105 3.456 -3.269 60 HB3 LYS 318 HB1 LYS 318 3.450 2.791 -4.187 61 HG2 LYS 318 HG2 LYS 318 3.454 4.681 -5.688 62 HG3 LYS 318 HG1 LYS 318 1.945 5.297 -5.001 63 HD2 LYS 318 HD2 LYS 318 3.072 5.711 -2.843 64 HD3 LYS 318 HD1 LYS 318 4.575 5.031 -3.474 65 HE2 LYS 318 HE2 LYS 318 3.220 7.486 -4.641 66 HE3 LYS 318 HE1 LYS 318 4.492 7.556 -3.420 67 HZ1 LYS 318 HZ1 LYS 318 5.986 6.444 -4.947 68 HZ2 LYS 318 HZ2 LYS 318 5.362 7.851 -5.652 69 HZ3 LYS 318 HZ3 LYS 318 4.768 6.339 -6.116 70 H LEU 319 HN LEU 319 1.052 0.234 -6.222 71 HA LEU 319 HA LEU 319 0.017 -1.127 -3.903 72 HB2 LEU 319 HB2 LEU 319 -0.882 -1.813 -5.999 73 HB3 LEU 319 HB1 LEU 319 0.713 -2.036 -6.709 74 HG LEU 319 HG LEU 319 1.050 -4.050 -5.223 75 HD11 LEU 319 HD11 LEU 319 -0.842 -5.025 -4.022 76 HD12 LEU 319 HD12 LEU 319 -1.841 -3.626 -4.428 77 HD13 LEU 319 HD13 LEU 319 -0.430 -3.435 -3.383 78 HD21 LEU 319 HD21 LEU 319 -0.451 -5.554 -6.444 79 HD22 LEU 319 HD22 LEU 319 0.253 -4.344 -7.516 80 HD23 LEU 319 HD23 LEU 319 -1.420 -4.174 -6.975 81 H CYS 320 HN CYS 320 1.157 -2.094 -2.348 82 HA CYS 320 HA CYS 320 3.960 -2.580 -2.386 83 HB2 CYS 320 HB2 CYS 320 1.801 -3.765 -0.595 84 HB3 CYS 320 HB1 CYS 320 3.545 -3.860 -0.301 85 H LYS 321 HN LYS 321 5.008 -4.190 -3.391 86 HA LYS 321 HA LYS 321 3.947 -6.447 -4.682 87 HB2 LYS 321 HB2 LYS 321 6.291 -7.251 -4.779 88 HB3 LYS 321 HB1 LYS 321 6.194 -5.537 -5.171 89 HG2 LYS 321 HG2 LYS 321 6.937 -4.987 -2.855 90 HG3 LYS 321 HG1 LYS 321 7.084 -6.717 -2.518 91 HD2 LYS 321 HD2 LYS 321 8.793 -6.912 -4.301 92 HD3 LYS 321 HD1 LYS 321 8.655 -5.179 -4.625 93 HE2 LYS 321 HE2 LYS 321 9.600 -6.460 -2.040 94 HE3 LYS 321 HE1 LYS 321 10.613 -5.632 -3.222 95 HZ1 LYS 321 HZ1 LYS 321 9.431 -3.569 -2.733 96 HZ2 LYS 321 HZ2 LYS 321 10.114 -4.214 -1.332 97 HZ3 LYS 321 HZ3 LYS 321 8.454 -4.361 -1.600 98 H ASN 322 HN ASN 322 4.818 -5.839 -1.385 99 HA ASN 322 HA ASN 322 5.006 -8.413 -0.269 100 HB2 ASN 322 HB2 ASN 322 3.973 -5.845 1.029 101 HB3 ASN 322 HB1 ASN 322 4.602 -7.257 1.883 102 HD21 ASN 322 HD21 ASN 322 6.835 -7.489 2.075 103 HD22 ASN 322 HD22 ASN 322 7.964 -6.320 1.496 104 H PHE 323 HN PHE 323 2.272 -6.230 -0.745 105 HA PHE 323 HA PHE 323 0.308 -8.139 0.296 106 HB2 PHE 323 HB2 PHE 323 0.133 -5.226 -0.553 107 HB3 PHE 323 HB1 PHE 323 -1.299 -6.181 -0.190 108 HD1 PHE 323 HD1 PHE 323 -2.144 -6.144 1.993 109 HD2 PHE 323 HD2 PHE 323 1.991 -5.214 1.395 110 HE1 PHE 323 HE1 PHE 323 -1.923 -5.572 4.375 111 HE2 PHE 323 HE2 PHE 323 2.198 -4.645 3.783 112 HZ PHE 323 HZ PHE 323 0.244 -4.823 5.272 113 H ALA 324 HN ALA 324 1.682 -7.279 -2.691 114 HA ALA 324 HA ALA 324 -0.527 -8.021 -4.408 115 HB1 ALA 324 HB1 ALA 324 2.440 -7.732 -5.046 116 HB2 ALA 324 HB2 ALA 324 1.228 -6.458 -5.189 117 HB3 ALA 324 HB3 ALA 324 1.135 -7.879 -6.230 118 H ARG 325 HN ARG 325 -0.367 -9.904 -5.876 119 HA ARG 325 HA ARG 325 -0.437 -12.296 -4.453 120 HB2 ARG 325 HB2 ARG 325 -0.675 -13.402 -6.695 121 HB3 ARG 325 HB1 ARG 325 -1.739 -12.019 -6.474 122 HG2 ARG 325 HG2 ARG 325 -0.231 -10.623 -7.829 123 HG3 ARG 325 HG1 ARG 325 0.860 -11.993 -8.041 124 HD2 ARG 325 HD2 ARG 325 -0.519 -11.704 -10.027 125 HD3 ARG 325 HD1 ARG 325 -0.919 -13.219 -9.224 126 HE ARG 325 HE ARG 325 -2.955 -12.205 -8.422 127 HH11 ARG 325 HH11 ARG 325 -1.289 -10.373 -10.930 128 HH12 ARG 325 HH12 ARG 325 -2.712 -9.496 -11.399 129 HH21 ARG 325 HH21 ARG 325 -4.726 -9.904 -10.338 130 HH22 ARG 325 HH22 ARG 325 -4.822 -11.087 -9.070 131 H GLY 326 HN GLY 326 0.916 -14.019 -4.179 132 HA2 GLY 326 HA2 GLY 326 2.873 -15.302 -4.342 133 HA3 GLY 326 HA1 GLY 326 3.659 -14.021 -5.250 134 H GLY 327 HN GLY 327 2.358 -12.276 -2.871 135 HA2 GLY 327 HA2 GLY 327 4.691 -12.426 -1.070 136 HA3 GLY 327 HA1 GLY 327 3.492 -11.141 -1.149 137 H THR 328 HN THR 328 3.677 -11.466 1.259 138 HA THR 328 HA THR 328 1.873 -13.615 2.255 139 HB THR 328 HB THR 328 3.066 -13.408 4.447 140 HG1 THR 328 HG1 THR 328 5.010 -12.197 4.508 141 HG21 THR 328 HG21 THR 328 3.824 -15.163 2.873 142 HG22 THR 328 HG22 THR 328 5.181 -14.515 3.800 143 HG23 THR 328 HG23 THR 328 4.940 -14.014 2.126 144 H GLY 329 HN GLY 329 2.460 -10.214 1.996 145 HA2 GLY 329 HA2 GLY 329 0.874 -8.518 2.400 146 HA3 GLY 329 HA1 GLY 329 0.029 -9.560 3.536 147 H PHE 330 HN PHE 330 3.459 -9.402 3.794 148 HA PHE 330 HA PHE 330 3.311 -7.494 6.057 149 HB2 PHE 330 HB2 PHE 330 3.912 -9.752 6.803 150 HB3 PHE 330 HB1 PHE 330 5.207 -9.837 5.620 151 HD1 PHE 330 HD1 PHE 330 4.091 -8.037 8.691 152 HD2 PHE 330 HD2 PHE 330 7.412 -9.016 6.170 153 HE1 PHE 330 HE1 PHE 330 5.644 -7.097 10.348 154 HE2 PHE 330 HE2 PHE 330 8.950 -8.068 7.838 155 HZ PHE 330 HZ PHE 330 8.068 -7.107 9.925 156 H CYS 331 HN CYS 331 3.905 -5.536 5.214 157 HA CYS 331 HA CYS 331 6.311 -5.202 3.613 158 HB2 CYS 331 HB2 CYS 331 4.529 -3.164 5.038 159 HB3 CYS 331 HB1 CYS 331 5.939 -2.744 4.040 160 HA PRO 332 HA PRO 332 8.827 -5.429 7.439 161 HB2 PRO 332 HB2 PRO 332 11.294 -4.977 6.328 162 HB3 PRO 332 HB1 PRO 332 10.439 -6.526 6.152 163 HG2 PRO 332 HG2 PRO 332 10.586 -4.232 4.206 164 HG3 PRO 332 HG1 PRO 332 10.790 -5.976 3.908 165 HD2 PRO 332 HD2 PRO 332 8.445 -4.711 3.386 166 HD3 PRO 332 HD1 PRO 332 8.495 -6.397 3.944 167 H TYR 333 HN TYR 333 8.408 -2.730 5.381 168 HA TYR 333 HA TYR 333 9.849 -0.800 7.001 169 HB2 TYR 333 HB2 TYR 333 7.910 -0.326 4.694 170 HB3 TYR 333 HB1 TYR 333 9.025 0.853 5.381 171 HD1 TYR 333 HD1 TYR 333 8.619 -1.774 2.925 172 HD2 TYR 333 HD2 TYR 333 11.542 0.438 5.121 173 HE1 TYR 333 HE1 TYR 333 10.341 -2.468 1.317 174 HE2 TYR 333 HE2 TYR 333 13.272 -0.257 3.516 175 HH TYR 333 HH TYR 333 13.672 -2.078 1.899 176 H GLY 334 HN GLY 334 6.554 -1.949 6.527 177 HA2 GLY 334 HA2 GLY 334 4.586 -1.614 7.601 178 HA3 GLY 334 HA1 GLY 334 5.530 -1.144 9.002 179 H LEU 335 HN LEU 335 5.655 1.003 9.551 180 HA LEU 335 HA LEU 335 3.713 2.829 8.527 181 HB2 LEU 335 HB2 LEU 335 4.429 2.798 10.910 182 HB3 LEU 335 HB1 LEU 335 6.040 3.311 10.439 183 HG LEU 335 HG LEU 335 5.124 5.507 9.674 184 HD11 LEU 335 HD11 LEU 335 2.461 4.484 10.692 185 HD12 LEU 335 HD12 LEU 335 2.884 4.847 9.016 186 HD13 LEU 335 HD13 LEU 335 2.806 6.146 10.202 187 HD21 LEU 335 HD21 LEU 335 4.599 6.440 11.888 188 HD22 LEU 335 HD22 LEU 335 5.959 5.322 11.963 189 HD23 LEU 335 HD23 LEU 335 4.368 4.808 12.528 190 H ARG 336 HN ARG 336 7.174 2.370 8.063 191 HA ARG 336 HA ARG 336 7.575 4.861 6.610 192 HB2 ARG 336 HB2 ARG 336 9.503 2.542 7.046 193 HB3 ARG 336 HB1 ARG 336 9.921 4.159 6.479 194 HG2 ARG 336 HG2 ARG 336 9.180 5.071 8.695 195 HG3 ARG 336 HG1 ARG 336 8.897 3.417 9.245 196 HD2 ARG 336 HD2 ARG 336 11.327 2.933 8.796 197 HD3 ARG 336 HD1 ARG 336 11.555 4.647 8.426 198 HE ARG 336 HE ARG 336 10.363 4.258 10.999 199 HH11 ARG 336 HH11 ARG 336 13.465 4.205 9.323 200 HH12 ARG 336 HH12 ARG 336 14.379 4.523 10.763 201 HH21 ARG 336 HH21 ARG 336 11.592 4.613 12.889 202 HH22 ARG 336 HH22 ARG 336 13.322 4.752 12.781 203 H CYS 337 HN CYS 337 5.941 2.322 5.633 204 HA CYS 337 HA CYS 337 7.157 1.563 3.141 205 HB2 CYS 337 HB2 CYS 337 5.590 0.109 4.437 206 HB3 CYS 337 HB1 CYS 337 4.283 1.227 4.098 207 H GLU 338 HN GLU 338 7.272 2.893 1.420 208 HA GLU 338 HA GLU 338 5.796 5.285 1.015 209 HB2 GLU 338 HB2 GLU 338 7.276 3.557 -1.013 210 HB3 GLU 338 HB1 GLU 338 6.677 5.185 -1.332 211 HG2 GLU 338 HG2 GLU 338 8.212 6.072 0.393 212 HG3 GLU 338 HG1 GLU 338 8.823 4.437 0.676 213 H PHE 339 HN PHE 339 5.379 1.981 0.008 214 HA PHE 339 HA PHE 339 3.312 2.501 -1.924 215 HB2 PHE 339 HB2 PHE 339 4.528 -0.082 -0.859 216 HB3 PHE 339 HB1 PHE 339 3.310 -0.018 -2.132 217 HD1 PHE 339 HD1 PHE 339 3.921 0.488 -4.406 218 HD2 PHE 339 HD2 PHE 339 6.824 0.953 -1.292 219 HE1 PHE 339 HE1 PHE 339 5.685 0.809 -6.093 220 HE2 PHE 339 HE2 PHE 339 8.577 1.270 -2.991 221 HZ PHE 339 HZ PHE 339 8.013 1.200 -5.386 222 H VAL 340 HN VAL 340 1.283 2.707 -1.466 223 HA VAL 340 HA VAL 340 0.116 2.238 1.112 224 HB VAL 340 HB VAL 340 -0.630 4.141 -0.210 225 HG11 VAL 340 HG11 VAL 340 -1.885 3.921 -2.304 226 HG12 VAL 340 HG12 VAL 340 -1.654 2.172 -2.276 227 HG13 VAL 340 HG13 VAL 340 -0.261 3.243 -2.460 228 HG21 VAL 340 HG21 VAL 340 -2.289 3.199 1.337 229 HG22 VAL 340 HG22 VAL 340 -2.889 2.119 0.074 230 HG23 VAL 340 HG23 VAL 340 -3.089 3.866 -0.090 231 H HIS 341 HN HIS 341 -1.476 0.733 1.644 232 HA HIS 341 HA HIS 341 -1.106 -1.841 0.341 233 HB2 HIS 341 HB2 HIS 341 -2.524 -1.140 2.956 234 HB3 HIS 341 HB1 HIS 341 -2.030 -2.754 2.449 235 HD1 HIS 341 HD1 HIS 341 -0.935 -0.632 4.891 236 HD2 HIS 341 HD2 HIS 341 1.011 -2.159 1.565 237 HE1 HIS 341 HE1 HIS 341 1.540 -0.327 5.333 238 HA PRO 342 HA PRO 342 -4.588 -1.693 -2.311 239 HB2 PRO 342 HB2 PRO 342 -5.518 -4.359 -2.159 240 HB3 PRO 342 HB1 PRO 342 -4.177 -3.775 -3.176 241 HG2 PRO 342 HG2 PRO 342 -4.056 -5.057 -0.459 242 HG3 PRO 342 HG1 PRO 342 -3.028 -5.332 -1.887 243 HD2 PRO 342 HD2 PRO 342 -2.117 -3.823 0.105 244 HD3 PRO 342 HD1 PRO 342 -1.821 -3.323 -1.577 245 H THR 343 HN THR 343 -5.298 -3.206 0.800 246 HA THR 343 HA THR 343 -7.512 -1.318 1.101 247 HB THR 343 HB THR 343 -7.806 -4.262 1.886 248 HG1 THR 343 HG1 THR 343 -8.149 -3.669 -0.406 249 HG21 THR 343 HG21 THR 343 -8.891 -2.760 3.542 250 HG22 THR 343 HG22 THR 343 -10.098 -3.650 2.616 251 HG23 THR 343 HG23 THR 343 -9.779 -1.957 2.235 252 H ASP 344 HN ASP 344 -5.779 -0.226 2.184 253 HA ASP 344 HA ASP 344 -4.669 -1.251 4.629 254 HB2 ASP 344 HB2 ASP 344 -3.516 0.498 3.276 255 HB3 ASP 344 HB1 ASP 344 -4.819 1.630 3.628 256 H LYS 345 HN LYS 345 -5.976 -1.666 6.325 257 HA LYS 345 HA LYS 345 -8.516 -0.314 6.698 258 HB2 LYS 345 HB2 LYS 345 -7.176 -2.444 8.426 259 HB3 LYS 345 HB1 LYS 345 -8.838 -1.880 8.586 260 HG2 LYS 345 HG2 LYS 345 -9.325 -2.757 6.300 261 HG3 LYS 345 HG1 LYS 345 -7.680 -3.395 6.214 262 HD2 LYS 345 HD2 LYS 345 -9.796 -4.198 8.256 263 HD3 LYS 345 HD1 LYS 345 -9.346 -5.132 6.830 264 HE2 LYS 345 HE2 LYS 345 -7.458 -4.469 9.125 265 HE3 LYS 345 HE1 LYS 345 -8.319 -5.994 8.927 266 HZ1 LYS 345 HZ1 LYS 345 -6.295 -4.889 7.058 267 HZ2 LYS 345 HZ2 LYS 345 -7.166 -6.311 6.813 268 HZ3 LYS 345 HZ3 LYS 345 -6.086 -6.199 8.107 269 H GLU 346 HN GLU 346 -8.067 1.780 7.209 270 HA GLU 346 HA GLU 346 -7.619 2.420 9.943 271 HB2 GLU 346 HB2 GLU 346 -5.236 2.177 9.182 272 HB3 GLU 346 HB1 GLU 346 -5.498 3.456 8.001 273 HG2 GLU 346 HG2 GLU 346 -5.884 5.078 9.799 274 HG3 GLU 346 HG1 GLU 346 -5.748 3.803 11.010 Start of MODEL 5 1 H1 ASN 312 HT1 ASN 312 -11.382 10.834 -6.136 2 H2 ASN 312 HT2 ASN 312 -10.732 9.327 -6.534 3 H3 ASN 312 HT3 ASN 312 -12.132 9.876 -7.305 4 HA ASN 312 HA ASN 312 -10.200 10.084 -8.741 5 HB2 ASN 312 HB2 ASN 312 -12.135 11.681 -8.902 6 HB3 ASN 312 HB1 ASN 312 -11.321 12.759 -7.772 7 HD21 ASN 312 HD21 ASN 312 -11.234 14.469 -9.232 8 HD22 ASN 312 HD22 ASN 312 -10.210 14.477 -10.627 9 H ASN 313 HN ASN 313 -8.261 11.424 -9.224 10 HA ASN 313 HA ASN 313 -6.312 12.462 -8.871 11 HB2 ASN 313 HB2 ASN 313 -7.283 13.991 -7.196 12 HB3 ASN 313 HB1 ASN 313 -7.111 12.766 -5.952 13 HD21 ASN 313 HD21 ASN 313 -5.774 13.914 -4.622 14 HD22 ASN 313 HD22 ASN 313 -4.171 14.397 -5.043 15 H LYS 314 HN LYS 314 -7.116 10.172 -6.236 16 HA LYS 314 HA LYS 314 -4.460 9.132 -5.996 17 HB2 LYS 314 HB2 LYS 314 -6.118 9.099 -4.138 18 HB3 LYS 314 HB1 LYS 314 -7.106 7.968 -5.056 19 HG2 LYS 314 HG2 LYS 314 -5.136 6.366 -5.007 20 HG3 LYS 314 HG1 LYS 314 -4.358 7.469 -3.862 21 HD2 LYS 314 HD2 LYS 314 -6.314 7.209 -2.334 22 HD3 LYS 314 HD1 LYS 314 -7.048 6.083 -3.476 23 HE2 LYS 314 HE2 LYS 314 -5.051 4.578 -3.157 24 HE3 LYS 314 HE1 LYS 314 -4.481 5.678 -1.901 25 HZ1 LYS 314 HZ1 LYS 314 -6.582 5.267 -0.710 26 HZ2 LYS 314 HZ2 LYS 314 -5.657 3.866 -0.901 27 HZ3 LYS 314 HZ3 LYS 314 -7.010 4.118 -1.878 28 H TYR 315 HN TYR 315 -3.863 8.552 -8.085 29 HA TYR 315 HA TYR 315 -4.893 5.930 -9.014 30 HB2 TYR 315 HB2 TYR 315 -3.862 8.283 -10.667 31 HB3 TYR 315 HB1 TYR 315 -4.047 6.661 -11.322 32 HD1 TYR 315 HD1 TYR 315 -5.918 9.565 -9.940 33 HD2 TYR 315 HD2 TYR 315 -6.231 5.836 -12.006 34 HE1 TYR 315 HE1 TYR 315 -8.244 10.070 -10.486 35 HE2 TYR 315 HE2 TYR 315 -8.575 6.345 -12.559 36 HH TYR 315 HH TYR 315 -9.897 9.426 -12.253 37 H LYS 316 HN LYS 316 -2.758 6.819 -7.086 38 HA LYS 316 HA LYS 316 -0.211 6.115 -8.207 39 HB2 LYS 316 HB2 LYS 316 -1.012 6.057 -5.259 40 HB3 LYS 316 HB1 LYS 316 0.623 6.177 -5.917 41 HG2 LYS 316 HG2 LYS 316 -0.016 8.401 -6.915 42 HG3 LYS 316 HG1 LYS 316 -1.569 8.269 -6.084 43 HD2 LYS 316 HD2 LYS 316 -0.275 8.141 -3.895 44 HD3 LYS 316 HD1 LYS 316 1.188 8.493 -4.825 45 HE2 LYS 316 HE2 LYS 316 -1.244 10.292 -4.519 46 HE3 LYS 316 HE1 LYS 316 0.364 10.558 -3.846 47 HZ1 LYS 316 HZ1 LYS 316 1.220 10.759 -6.109 48 HZ2 LYS 316 HZ2 LYS 316 0.011 11.896 -5.803 49 HZ3 LYS 316 HZ3 LYS 316 -0.335 10.532 -6.734 50 H THR 317 HN THR 317 -0.437 4.168 -9.263 51 HA THR 317 HA THR 317 -1.667 1.880 -7.924 52 HB THR 317 HB THR 317 -0.500 1.820 -10.733 53 HG1 THR 317 HG1 THR 317 -2.213 3.619 -10.074 54 HG21 THR 317 HG21 THR 317 -1.317 -0.320 -9.775 55 HG22 THR 317 HG22 THR 317 -2.322 0.195 -11.129 56 HG23 THR 317 HG23 THR 317 -2.895 0.416 -9.474 57 H LYS 318 HN LYS 318 0.313 2.362 -6.447 58 HA LYS 318 HA LYS 318 2.499 0.491 -7.144 59 HB2 LYS 318 HB2 LYS 318 2.582 2.940 -5.328 60 HB3 LYS 318 HB1 LYS 318 3.875 1.742 -5.428 61 HG2 LYS 318 HG2 LYS 318 4.095 2.267 -7.867 62 HG3 LYS 318 HG1 LYS 318 2.908 3.560 -7.654 63 HD2 LYS 318 HD2 LYS 318 4.406 4.715 -6.090 64 HD3 LYS 318 HD1 LYS 318 5.568 3.387 -6.177 65 HE2 LYS 318 HE2 LYS 318 5.886 3.870 -8.599 66 HE3 LYS 318 HE1 LYS 318 4.774 5.234 -8.451 67 HZ1 LYS 318 HZ1 LYS 318 6.267 6.240 -6.869 68 HZ2 LYS 318 HZ2 LYS 318 7.070 5.942 -8.326 69 HZ3 LYS 318 HZ3 LYS 318 7.339 4.937 -6.987 70 H LEU 319 HN LEU 319 0.352 -0.709 -6.426 71 HA LEU 319 HA LEU 319 -0.160 -1.138 -3.685 72 HB2 LEU 319 HB2 LEU 319 -1.610 -1.868 -5.635 73 HB3 LEU 319 HB1 LEU 319 -0.440 -3.123 -5.977 74 HG LEU 319 HG LEU 319 -1.872 -3.027 -3.304 75 HD11 LEU 319 HD11 LEU 319 -3.576 -4.565 -4.189 76 HD12 LEU 319 HD12 LEU 319 -2.898 -4.403 -5.810 77 HD13 LEU 319 HD13 LEU 319 -3.637 -3.009 -5.015 78 HD21 LEU 319 HD21 LEU 319 -1.481 -5.471 -3.302 79 HD22 LEU 319 HD22 LEU 319 0.024 -4.566 -3.409 80 HD23 LEU 319 HD23 LEU 319 -0.641 -5.336 -4.852 81 H CYS 320 HN CYS 320 1.053 -2.190 -2.192 82 HA CYS 320 HA CYS 320 3.740 -2.779 -2.605 83 HB2 CYS 320 HB2 CYS 320 1.932 -3.715 -0.364 84 HB3 CYS 320 HB1 CYS 320 3.680 -3.770 -0.316 85 H LYS 321 HN LYS 321 4.680 -4.438 -3.593 86 HA LYS 321 HA LYS 321 3.506 -6.837 -4.445 87 HB2 LYS 321 HB2 LYS 321 5.844 -7.622 -4.847 88 HB3 LYS 321 HB1 LYS 321 5.573 -5.991 -5.453 89 HG2 LYS 321 HG2 LYS 321 6.731 -5.032 -3.522 90 HG3 LYS 321 HG1 LYS 321 6.932 -6.638 -2.811 91 HD2 LYS 321 HD2 LYS 321 8.372 -7.304 -4.720 92 HD3 LYS 321 HD1 LYS 321 8.158 -5.706 -5.446 93 HE2 LYS 321 HE2 LYS 321 9.338 -4.652 -3.613 94 HE3 LYS 321 HE1 LYS 321 9.387 -6.164 -2.708 95 HZ1 LYS 321 HZ1 LYS 321 10.773 -5.638 -5.272 96 HZ2 LYS 321 HZ2 LYS 321 10.803 -7.090 -4.416 97 HZ3 LYS 321 HZ3 LYS 321 11.496 -5.701 -3.743 98 H ASN 322 HN ASN 322 4.821 -5.926 -1.386 99 HA ASN 322 HA ASN 322 5.112 -8.468 -0.141 100 HB2 ASN 322 HB2 ASN 322 4.381 -5.823 1.214 101 HB3 ASN 322 HB1 ASN 322 5.229 -7.196 1.932 102 HD21 ASN 322 HD21 ASN 322 7.426 -7.458 1.509 103 HD22 ASN 322 HD22 ASN 322 8.385 -6.237 0.765 104 H PHE 323 HN PHE 323 2.512 -6.063 -0.304 105 HA PHE 323 HA PHE 323 0.595 -7.661 1.204 106 HB2 PHE 323 HB2 PHE 323 0.584 -4.856 0.044 107 HB3 PHE 323 HB1 PHE 323 -0.930 -5.601 0.531 108 HD1 PHE 323 HD1 PHE 323 -1.693 -5.188 2.673 109 HD2 PHE 323 HD2 PHE 323 2.506 -4.963 1.932 110 HE1 PHE 323 HE1 PHE 323 -1.327 -4.415 4.966 111 HE2 PHE 323 HE2 PHE 323 2.853 -4.194 4.235 112 HZ PHE 323 HZ PHE 323 0.945 -3.917 5.751 113 H ALA 324 HN ALA 324 1.637 -7.817 -1.910 114 HA ALA 324 HA ALA 324 -0.706 -7.895 -3.482 115 HB1 ALA 324 HB1 ALA 324 1.897 -9.420 -3.867 116 HB2 ALA 324 HB2 ALA 324 1.563 -7.787 -4.448 117 HB3 ALA 324 HB3 ALA 324 0.662 -9.157 -5.101 118 H ARG 325 HN ARG 325 -2.049 -9.586 -4.040 119 HA ARG 325 HA ARG 325 -2.595 -11.629 -2.138 120 HB2 ARG 325 HB2 ARG 325 -3.649 -11.202 -4.975 121 HB3 ARG 325 HB1 ARG 325 -4.349 -12.329 -3.810 122 HG2 ARG 325 HG2 ARG 325 -4.985 -10.475 -2.331 123 HG3 ARG 325 HG1 ARG 325 -4.142 -9.322 -3.369 124 HD2 ARG 325 HD2 ARG 325 -5.729 -9.724 -5.184 125 HD3 ARG 325 HD1 ARG 325 -6.547 -10.969 -4.235 126 HE ARG 325 HE ARG 325 -7.346 -9.288 -2.750 127 HH11 ARG 325 HH11 ARG 325 -5.820 -7.933 -5.621 128 HH12 ARG 325 HH12 ARG 325 -6.578 -6.390 -5.451 129 HH21 ARG 325 HH21 ARG 325 -8.025 -6.013 -3.711 130 HH22 ARG 325 HH22 ARG 325 -8.355 -7.269 -2.567 131 H GLY 326 HN GLY 326 -1.400 -13.374 -1.916 132 HA2 GLY 326 HA2 GLY 326 -0.399 -15.421 -2.678 133 HA3 GLY 326 HA1 GLY 326 0.027 -14.629 -4.191 134 H GLY 327 HN GLY 327 0.457 -12.615 -1.489 135 HA2 GLY 327 HA2 GLY 327 3.403 -13.055 -1.452 136 HA3 GLY 327 HA1 GLY 327 2.589 -11.511 -1.216 137 H THR 328 HN THR 328 3.822 -11.315 0.741 138 HA THR 328 HA THR 328 3.498 -13.211 2.925 139 HB THR 328 HB THR 328 4.895 -11.535 4.208 140 HG1 THR 328 HG1 THR 328 5.776 -9.957 2.329 141 HG21 THR 328 HG21 THR 328 6.016 -13.314 2.906 142 HG22 THR 328 HG22 THR 328 6.965 -11.826 2.896 143 HG23 THR 328 HG23 THR 328 6.011 -12.270 1.480 144 H GLY 329 HN GLY 329 2.541 -9.907 2.219 145 HA2 GLY 329 HA2 GLY 329 0.499 -8.861 2.769 146 HA3 GLY 329 HA1 GLY 329 0.302 -9.973 4.118 147 H PHE 330 HN PHE 330 3.403 -9.234 4.391 148 HA PHE 330 HA PHE 330 3.021 -6.785 6.036 149 HB2 PHE 330 HB2 PHE 330 4.994 -9.080 6.458 150 HB3 PHE 330 HB1 PHE 330 4.938 -7.607 7.416 151 HD1 PHE 330 HD1 PHE 330 3.240 -10.809 6.711 152 HD2 PHE 330 HD2 PHE 330 3.208 -7.262 9.111 153 HE1 PHE 330 HE1 PHE 330 1.628 -11.855 8.244 154 HE2 PHE 330 HE2 PHE 330 1.598 -8.316 10.634 155 HZ PHE 330 HZ PHE 330 0.811 -10.612 10.211 156 H CYS 331 HN CYS 331 4.084 -5.016 5.202 157 HA CYS 331 HA CYS 331 6.342 -5.279 3.394 158 HB2 CYS 331 HB2 CYS 331 5.126 -2.839 4.755 159 HB3 CYS 331 HB1 CYS 331 6.479 -2.758 3.641 160 HA PRO 332 HA PRO 332 9.475 -5.430 6.687 161 HB2 PRO 332 HB2 PRO 332 11.674 -4.504 5.281 162 HB3 PRO 332 HB1 PRO 332 11.014 -6.144 5.081 163 HG2 PRO 332 HG2 PRO 332 10.557 -3.707 3.380 164 HG3 PRO 332 HG1 PRO 332 10.896 -5.381 2.884 165 HD2 PRO 332 HD2 PRO 332 8.375 -4.375 2.847 166 HD3 PRO 332 HD1 PRO 332 8.691 -6.081 3.236 167 H TYR 333 HN TYR 333 8.466 -2.567 5.104 168 HA TYR 333 HA TYR 333 9.871 -0.694 6.861 169 HB2 TYR 333 HB2 TYR 333 7.675 -0.147 4.821 170 HB3 TYR 333 HB1 TYR 333 8.742 1.043 5.552 171 HD1 TYR 333 HD1 TYR 333 8.444 -1.598 2.996 172 HD2 TYR 333 HD2 TYR 333 11.097 1.266 4.762 173 HE1 TYR 333 HE1 TYR 333 9.985 -1.861 1.105 174 HE2 TYR 333 HE2 TYR 333 12.637 0.989 2.865 175 HH TYR 333 HH TYR 333 13.185 -0.563 1.139 176 H GLY 334 HN GLY 334 6.872 -2.422 6.701 177 HA2 GLY 334 HA2 GLY 334 5.096 -2.601 8.149 178 HA3 GLY 334 HA1 GLY 334 5.886 -1.457 9.227 179 H LEU 335 HN LEU 335 4.389 0.077 9.625 180 HA LEU 335 HA LEU 335 2.488 1.067 7.702 181 HB2 LEU 335 HB2 LEU 335 2.075 0.969 10.179 182 HB3 LEU 335 HB1 LEU 335 3.294 2.205 10.415 183 HG LEU 335 HG LEU 335 1.878 3.851 9.195 184 HD11 LEU 335 HD11 LEU 335 -0.435 3.305 8.567 185 HD12 LEU 335 HD12 LEU 335 -0.158 1.613 8.992 186 HD13 LEU 335 HD13 LEU 335 0.728 2.348 7.652 187 HD21 LEU 335 HD21 LEU 335 1.652 3.673 11.628 188 HD22 LEU 335 HD22 LEU 335 0.396 2.444 11.439 189 HD23 LEU 335 HD23 LEU 335 0.116 4.096 10.878 190 H ARG 336 HN ARG 336 5.749 1.698 8.381 191 HA ARG 336 HA ARG 336 5.853 4.431 7.382 192 HB2 ARG 336 HB2 ARG 336 8.022 2.449 8.181 193 HB3 ARG 336 HB1 ARG 336 8.305 4.145 7.795 194 HG2 ARG 336 HG2 ARG 336 7.154 4.889 9.754 195 HG3 ARG 336 HG1 ARG 336 6.466 3.293 10.057 196 HD2 ARG 336 HD2 ARG 336 8.314 3.829 11.613 197 HD3 ARG 336 HD1 ARG 336 8.667 2.410 10.620 198 HE ARG 336 HE ARG 336 9.707 4.797 9.445 199 HH11 ARG 336 HH11 ARG 336 12.095 2.771 11.984 200 HH12 ARG 336 HH12 ARG 336 10.387 2.467 12.009 201 HH21 ARG 336 HH21 ARG 336 11.945 5.138 9.400 202 HH22 ARG 336 HH22 ARG 336 12.978 4.285 10.504 203 H CYS 337 HN CYS 337 5.081 1.926 5.710 204 HA CYS 337 HA CYS 337 7.063 1.584 3.699 205 HB2 CYS 337 HB2 CYS 337 5.446 -0.175 4.166 206 HB3 CYS 337 HB1 CYS 337 4.101 0.894 3.736 207 H GLU 338 HN GLU 338 7.191 2.391 1.646 208 HA GLU 338 HA GLU 338 6.203 5.045 1.148 209 HB2 GLU 338 HB2 GLU 338 7.804 3.131 -0.604 210 HB3 GLU 338 HB1 GLU 338 7.556 4.844 -0.940 211 HG2 GLU 338 HG2 GLU 338 9.007 3.756 1.503 212 HG3 GLU 338 HG1 GLU 338 9.801 4.304 0.026 213 H PHE 339 HN PHE 339 5.312 1.834 0.195 214 HA PHE 339 HA PHE 339 3.880 2.645 -2.226 215 HB2 PHE 339 HB2 PHE 339 4.397 -0.140 -1.099 216 HB3 PHE 339 HB1 PHE 339 3.770 0.233 -2.701 217 HD1 PHE 339 HD1 PHE 339 6.758 -0.189 -0.686 218 HD2 PHE 339 HD2 PHE 339 5.276 1.448 -4.358 219 HE1 PHE 339 HE1 PHE 339 9.046 -0.101 -1.576 220 HE2 PHE 339 HE2 PHE 339 7.566 1.524 -5.235 221 HZ PHE 339 HZ PHE 339 9.449 0.755 -3.851 222 H VAL 340 HN VAL 340 1.768 1.958 -2.634 223 HA VAL 340 HA VAL 340 -0.110 2.537 -0.589 224 HB VAL 340 HB VAL 340 -0.569 1.463 -3.411 225 HG11 VAL 340 HG11 VAL 340 -2.589 1.166 -2.029 226 HG12 VAL 340 HG12 VAL 340 -2.841 2.410 -3.254 227 HG13 VAL 340 HG13 VAL 340 -2.543 2.873 -1.576 228 HG21 VAL 340 HG21 VAL 340 0.689 3.577 -3.453 229 HG22 VAL 340 HG22 VAL 340 -0.529 4.348 -2.434 230 HG23 VAL 340 HG23 VAL 340 -0.948 3.818 -4.067 231 H HIS 341 HN HIS 341 -1.012 1.170 0.836 232 HA HIS 341 HA HIS 341 -0.887 -1.725 0.536 233 HB2 HIS 341 HB2 HIS 341 -1.933 0.015 2.818 234 HB3 HIS 341 HB1 HIS 341 -1.919 -1.748 2.850 235 HD1 HIS 341 HD1 HIS 341 -0.363 -0.496 5.041 236 HD2 HIS 341 HD2 HIS 341 1.260 -1.151 1.319 237 HE1 HIS 341 HE1 HIS 341 2.132 -0.587 5.395 238 HA PRO 342 HA PRO 342 -5.121 -1.832 -1.223 239 HB2 PRO 342 HB2 PRO 342 -5.428 -4.585 -1.209 240 HB3 PRO 342 HB1 PRO 342 -4.452 -3.735 -2.431 241 HG2 PRO 342 HG2 PRO 342 -3.522 -5.126 0.073 242 HG3 PRO 342 HG1 PRO 342 -2.857 -5.208 -1.577 243 HD2 PRO 342 HD2 PRO 342 -1.725 -3.621 0.301 244 HD3 PRO 342 HD1 PRO 342 -1.783 -3.131 -1.406 245 H THR 343 HN THR 343 -4.029 -3.494 1.661 246 HA THR 343 HA THR 343 -6.508 -4.073 2.905 247 HB THR 343 HB THR 343 -5.042 -4.249 4.985 248 HG1 THR 343 HG1 THR 343 -3.156 -3.297 4.901 249 HG21 THR 343 HG21 THR 343 -3.688 -6.156 4.177 250 HG22 THR 343 HG22 THR 343 -3.985 -5.670 2.508 251 HG23 THR 343 HG23 THR 343 -5.327 -6.218 3.515 252 H ASP 344 HN ASP 344 -4.366 -1.238 2.885 253 HA ASP 344 HA ASP 344 -5.892 0.306 4.771 254 HB2 ASP 344 HB2 ASP 344 -3.499 0.828 4.328 255 HB3 ASP 344 HB1 ASP 344 -3.884 1.202 2.649 256 H LYS 345 HN LYS 345 -7.992 0.583 4.258 257 HA LYS 345 HA LYS 345 -8.956 0.561 1.532 258 HB2 LYS 345 HB2 LYS 345 -10.510 0.888 4.135 259 HB3 LYS 345 HB1 LYS 345 -11.181 0.485 2.553 260 HG2 LYS 345 HG2 LYS 345 -9.884 -1.652 2.591 261 HG3 LYS 345 HG1 LYS 345 -9.315 -1.248 4.214 262 HD2 LYS 345 HD2 LYS 345 -11.184 -2.791 4.391 263 HD3 LYS 345 HD1 LYS 345 -11.682 -1.212 5.006 264 HE2 LYS 345 HE2 LYS 345 -12.798 -0.751 2.816 265 HE3 LYS 345 HE1 LYS 345 -12.339 -2.365 2.267 266 HZ1 LYS 345 HZ1 LYS 345 -14.095 -1.746 4.574 267 HZ2 LYS 345 HZ2 LYS 345 -13.672 -3.298 4.055 268 HZ3 LYS 345 HZ3 LYS 345 -14.609 -2.301 3.060 269 H GLU 346 HN GLU 346 -10.194 2.185 0.541 270 HA GLU 346 HA GLU 346 -9.480 4.917 1.314 271 HB2 GLU 346 HB2 GLU 346 -9.019 4.126 -0.988 272 HB3 GLU 346 HB1 GLU 346 -10.734 3.834 -1.256 273 HG2 GLU 346 HG2 GLU 346 -9.894 5.946 -2.287 274 HG3 GLU 346 HG1 GLU 346 -11.223 6.194 -1.148 Start of MODEL 6 1 H1 ASN 312 HT1 ASN 312 4.548 7.769 -17.016 2 H2 ASN 312 HT2 ASN 312 5.707 8.496 -18.005 3 H3 ASN 312 HT3 ASN 312 4.576 9.450 -17.191 4 HA ASN 312 HA ASN 312 6.640 7.765 -15.928 5 HB2 ASN 312 HB2 ASN 312 6.550 10.798 -16.247 6 HB3 ASN 312 HB1 ASN 312 7.737 9.925 -15.284 7 HD21 ASN 312 HD21 ASN 312 9.483 10.683 -16.480 8 HD22 ASN 312 HD22 ASN 312 9.792 10.186 -18.106 9 H ASN 313 HN ASN 313 4.955 6.877 -14.560 10 HA ASN 313 HA ASN 313 4.156 8.668 -12.354 11 HB2 ASN 313 HB2 ASN 313 2.213 6.763 -13.739 12 HB3 ASN 313 HB1 ASN 313 1.874 7.667 -12.266 13 HD21 ASN 313 HD21 ASN 313 2.043 7.782 -15.706 14 HD22 ASN 313 HD22 ASN 313 1.455 9.394 -15.900 15 H LYS 314 HN LYS 314 5.515 7.767 -10.898 16 HA LYS 314 HA LYS 314 5.321 4.863 -10.289 17 HB2 LYS 314 HB2 LYS 314 7.750 6.699 -10.117 18 HB3 LYS 314 HB1 LYS 314 7.713 5.039 -9.528 19 HG2 LYS 314 HG2 LYS 314 7.378 4.201 -11.804 20 HG3 LYS 314 HG1 LYS 314 7.316 5.854 -12.430 21 HD2 LYS 314 HD2 LYS 314 9.724 4.566 -11.067 22 HD3 LYS 314 HD1 LYS 314 9.531 4.768 -12.811 23 HE2 LYS 314 HE2 LYS 314 9.608 7.194 -12.589 24 HE3 LYS 314 HE1 LYS 314 9.597 7.079 -10.832 25 HZ1 LYS 314 HZ1 LYS 314 11.759 6.104 -12.601 26 HZ2 LYS 314 HZ2 LYS 314 11.739 6.018 -10.912 27 HZ3 LYS 314 HZ3 LYS 314 11.788 7.524 -11.679 28 H TYR 315 HN TYR 315 3.886 7.316 -9.201 29 HA TYR 315 HA TYR 315 3.966 6.506 -6.431 30 HB2 TYR 315 HB2 TYR 315 5.861 8.179 -6.550 31 HB3 TYR 315 HB1 TYR 315 4.705 9.406 -7.052 32 HD1 TYR 315 HD1 TYR 315 3.678 10.761 -5.357 33 HD2 TYR 315 HD2 TYR 315 5.337 6.970 -4.251 34 HE1 TYR 315 HE1 TYR 315 3.230 11.252 -2.994 35 HE2 TYR 315 HE2 TYR 315 4.894 7.465 -1.890 36 HH TYR 315 HH TYR 315 4.556 9.432 -0.448 37 H LYS 316 HN LYS 316 1.883 5.950 -7.538 38 HA LYS 316 HA LYS 316 -0.053 7.685 -6.283 39 HB2 LYS 316 HB2 LYS 316 -1.649 7.685 -8.225 40 HB3 LYS 316 HB1 LYS 316 -0.235 8.698 -8.463 41 HG2 LYS 316 HG2 LYS 316 0.737 7.069 -9.991 42 HG3 LYS 316 HG1 LYS 316 -0.567 5.932 -9.664 43 HD2 LYS 316 HD2 LYS 316 -1.051 6.938 -11.780 44 HD3 LYS 316 HD1 LYS 316 -2.190 7.619 -10.621 45 HE2 LYS 316 HE2 LYS 316 0.343 8.996 -11.599 46 HE3 LYS 316 HE1 LYS 316 -1.272 9.308 -12.221 47 HZ1 LYS 316 HZ1 LYS 316 -0.244 9.891 -9.504 48 HZ2 LYS 316 HZ2 LYS 316 -1.870 10.021 -9.930 49 HZ3 LYS 316 HZ3 LYS 316 -0.720 10.999 -10.688 50 H THR 317 HN THR 317 -0.479 6.168 -4.847 51 HA THR 317 HA THR 317 -1.026 4.273 -3.797 52 HB THR 317 HB THR 317 -2.758 3.630 -6.217 53 HG1 THR 317 HG1 THR 317 -3.039 5.517 -4.126 54 HG21 THR 317 HG21 THR 317 -3.101 3.010 -3.250 55 HG22 THR 317 HG22 THR 317 -2.679 1.838 -4.497 56 HG23 THR 317 HG23 THR 317 -4.262 2.613 -4.514 57 H LYS 318 HN LYS 318 1.236 3.674 -4.151 58 HA LYS 318 HA LYS 318 1.932 1.816 -6.243 59 HB2 LYS 318 HB2 LYS 318 3.515 2.453 -3.715 60 HB3 LYS 318 HB1 LYS 318 4.124 1.690 -5.184 61 HG2 LYS 318 HG2 LYS 318 3.549 3.858 -6.398 62 HG3 LYS 318 HG1 LYS 318 3.261 4.571 -4.808 63 HD2 LYS 318 HD2 LYS 318 5.881 3.354 -5.769 64 HD3 LYS 318 HD1 LYS 318 5.532 5.075 -5.668 65 HE2 LYS 318 HE2 LYS 318 5.357 4.899 -3.210 66 HE3 LYS 318 HE1 LYS 318 5.667 3.164 -3.311 67 HZ1 LYS 318 HZ1 LYS 318 7.641 4.366 -2.736 68 HZ2 LYS 318 HZ2 LYS 318 7.534 5.318 -4.128 69 HZ3 LYS 318 HZ3 LYS 318 7.824 3.655 -4.259 70 H LEU 319 HN LEU 319 0.487 0.092 -6.005 71 HA LEU 319 HA LEU 319 -0.240 -1.245 -3.671 72 HB2 LEU 319 HB2 LEU 319 -1.311 -1.450 -5.958 73 HB3 LEU 319 HB1 LEU 319 0.012 -2.487 -6.444 74 HG LEU 319 HG LEU 319 -1.741 -3.262 -4.086 75 HD11 LEU 319 HD11 LEU 319 -2.364 -3.896 -6.987 76 HD12 LEU 319 HD12 LEU 319 -3.299 -2.831 -5.935 77 HD13 LEU 319 HD13 LEU 319 -3.202 -4.555 -5.576 78 HD21 LEU 319 HD21 LEU 319 -1.128 -5.575 -4.716 79 HD22 LEU 319 HD22 LEU 319 0.297 -4.594 -4.388 80 HD23 LEU 319 HD23 LEU 319 -0.156 -4.951 -6.056 81 H CYS 320 HN CYS 320 0.980 -2.302 -2.264 82 HA CYS 320 HA CYS 320 3.697 -2.888 -2.636 83 HB2 CYS 320 HB2 CYS 320 1.766 -3.833 -0.487 84 HB3 CYS 320 HB1 CYS 320 3.516 -4.082 -0.424 85 H LYS 321 HN LYS 321 4.678 -4.544 -3.548 86 HA LYS 321 HA LYS 321 3.478 -6.857 -4.626 87 HB2 LYS 321 HB2 LYS 321 5.804 -7.675 -4.923 88 HB3 LYS 321 HB1 LYS 321 5.627 -6.004 -5.442 89 HG2 LYS 321 HG2 LYS 321 6.668 -5.246 -3.304 90 HG3 LYS 321 HG1 LYS 321 6.881 -6.932 -2.825 91 HD2 LYS 321 HD2 LYS 321 8.144 -5.598 -5.255 92 HD3 LYS 321 HD1 LYS 321 8.973 -5.942 -3.736 93 HE2 LYS 321 HE2 LYS 321 8.659 -8.366 -4.115 94 HE3 LYS 321 HE1 LYS 321 7.793 -8.032 -5.613 95 HZ1 LYS 321 HZ1 LYS 321 10.109 -8.648 -5.971 96 HZ2 LYS 321 HZ2 LYS 321 10.618 -7.294 -5.095 97 HZ3 LYS 321 HZ3 LYS 321 9.774 -7.097 -6.547 98 H ASN 322 HN ASN 322 4.701 -6.117 -1.453 99 HA ASN 322 HA ASN 322 4.787 -8.670 -0.243 100 HB2 ASN 322 HB2 ASN 322 3.986 -5.989 0.996 101 HB3 ASN 322 HB1 ASN 322 4.535 -7.409 1.882 102 HD21 ASN 322 HD21 ASN 322 6.705 -7.695 2.149 103 HD22 ASN 322 HD22 ASN 322 7.917 -6.666 1.483 104 H PHE 323 HN PHE 323 2.162 -6.277 -0.640 105 HA PHE 323 HA PHE 323 0.178 -7.968 0.699 106 HB2 PHE 323 HB2 PHE 323 0.178 -5.099 -0.287 107 HB3 PHE 323 HB1 PHE 323 -1.323 -5.886 0.190 108 HD1 PHE 323 HD1 PHE 323 -1.982 -5.826 2.449 109 HD2 PHE 323 HD2 PHE 323 2.126 -5.119 1.510 110 HE1 PHE 323 HE1 PHE 323 -1.545 -5.222 4.779 111 HE2 PHE 323 HE2 PHE 323 2.540 -4.522 3.855 112 HZ PHE 323 HZ PHE 323 0.710 -4.564 5.479 113 H ALA 324 HN ALA 324 1.374 -7.787 -2.401 114 HA ALA 324 HA ALA 324 -1.019 -8.183 -3.928 115 HB1 ALA 324 HB1 ALA 324 1.858 -8.947 -4.549 116 HB2 ALA 324 HB2 ALA 324 1.082 -7.417 -4.966 117 HB3 ALA 324 HB3 ALA 324 0.528 -8.918 -5.710 118 H ARG 325 HN ARG 325 -1.609 -10.236 -4.944 119 HA ARG 325 HA ARG 325 -1.958 -12.335 -3.049 120 HB2 ARG 325 HB2 ARG 325 -2.555 -12.245 -6.038 121 HB3 ARG 325 HB1 ARG 325 -3.102 -13.522 -4.948 122 HG2 ARG 325 HG2 ARG 325 -4.431 -11.872 -3.671 123 HG3 ARG 325 HG1 ARG 325 -3.858 -10.587 -4.739 124 HD2 ARG 325 HD2 ARG 325 -4.946 -11.694 -6.660 125 HD3 ARG 325 HD1 ARG 325 -5.531 -12.972 -5.590 126 HE ARG 325 HE ARG 325 -6.859 -11.264 -4.427 127 HH11 ARG 325 HH11 ARG 325 -5.773 -10.455 -7.673 128 HH12 ARG 325 HH12 ARG 325 -7.035 -9.302 -7.940 129 HH21 ARG 325 HH21 ARG 325 -8.590 -8.908 -6.305 130 HH22 ARG 325 HH22 ARG 325 -8.504 -9.767 -4.801 131 H GLY 326 HN GLY 326 -0.627 -14.005 -2.614 132 HA2 GLY 326 HA2 GLY 326 0.896 -15.769 -3.146 133 HA3 GLY 326 HA1 GLY 326 1.434 -14.872 -4.561 134 H GLY 327 HN GLY 327 1.394 -12.410 -2.678 135 HA2 GLY 327 HA2 GLY 327 4.075 -12.607 -1.584 136 HA3 GLY 327 HA1 GLY 327 3.021 -11.197 -1.583 137 H THR 328 HN THR 328 4.306 -11.501 0.652 138 HA THR 328 HA THR 328 3.240 -13.346 2.565 139 HB THR 328 HB THR 328 4.527 -11.946 4.262 140 HG1 THR 328 HG1 THR 328 6.044 -10.478 2.750 141 HG21 THR 328 HG21 THR 328 5.644 -13.839 3.142 142 HG22 THR 328 HG22 THR 328 6.774 -12.510 3.417 143 HG23 THR 328 HG23 THR 328 6.108 -12.780 1.806 144 H GLY 329 HN GLY 329 2.839 -9.867 2.082 145 HA2 GLY 329 HA2 GLY 329 0.887 -8.595 2.544 146 HA3 GLY 329 HA1 GLY 329 0.382 -9.810 3.714 147 H PHE 330 HN PHE 330 3.649 -9.349 4.160 148 HA PHE 330 HA PHE 330 3.318 -7.144 6.118 149 HB2 PHE 330 HB2 PHE 330 3.938 -9.246 7.210 150 HB3 PHE 330 HB1 PHE 330 5.257 -9.493 6.073 151 HD1 PHE 330 HD1 PHE 330 7.443 -8.544 6.493 152 HD2 PHE 330 HD2 PHE 330 4.097 -7.290 8.865 153 HE1 PHE 330 HE1 PHE 330 8.959 -7.362 8.019 154 HE2 PHE 330 HE2 PHE 330 5.634 -6.117 10.380 155 HZ PHE 330 HZ PHE 330 8.059 -6.152 9.965 156 H CYS 331 HN CYS 331 4.203 -5.266 5.404 157 HA CYS 331 HA CYS 331 6.379 -5.200 3.458 158 HB2 CYS 331 HB2 CYS 331 4.875 -3.002 4.930 159 HB3 CYS 331 HB1 CYS 331 6.190 -2.696 3.797 160 HA PRO 332 HA PRO 332 9.697 -5.198 6.500 161 HB2 PRO 332 HB2 PRO 332 11.648 -3.805 5.100 162 HB3 PRO 332 HB1 PRO 332 11.217 -5.496 4.750 163 HG2 PRO 332 HG2 PRO 332 10.275 -2.983 3.373 164 HG3 PRO 332 HG1 PRO 332 10.842 -4.511 2.655 165 HD2 PRO 332 HD2 PRO 332 8.205 -3.978 2.845 166 HD3 PRO 332 HD1 PRO 332 8.818 -5.629 3.100 167 H TYR 333 HN TYR 333 8.552 -2.193 5.123 168 HA TYR 333 HA TYR 333 9.658 -0.527 7.262 169 HB2 TYR 333 HB2 TYR 333 7.826 0.180 4.944 170 HB3 TYR 333 HB1 TYR 333 8.575 1.332 6.041 171 HD1 TYR 333 HD1 TYR 333 11.184 1.406 6.084 172 HD2 TYR 333 HD2 TYR 333 8.938 -0.421 2.922 173 HE1 TYR 333 HE1 TYR 333 13.120 1.611 4.587 174 HE2 TYR 333 HE2 TYR 333 10.873 -0.216 1.429 175 HH TYR 333 HH TYR 333 12.921 1.208 1.256 176 H GLY 334 HN GLY 334 6.778 -2.298 6.530 177 HA2 GLY 334 HA2 GLY 334 4.792 -2.625 7.604 178 HA3 GLY 334 HA1 GLY 334 5.477 -1.798 8.993 179 H LEU 335 HN LEU 335 4.632 0.150 9.515 180 HA LEU 335 HA LEU 335 2.495 1.331 7.986 181 HB2 LEU 335 HB2 LEU 335 2.496 1.312 10.462 182 HB3 LEU 335 HB1 LEU 335 3.924 2.330 10.482 183 HG LEU 335 HG LEU 335 2.590 4.187 9.417 184 HD11 LEU 335 HD11 LEU 335 0.910 2.835 8.250 185 HD12 LEU 335 HD12 LEU 335 0.133 4.015 9.302 186 HD13 LEU 335 HD13 LEU 335 0.226 2.321 9.794 187 HD21 LEU 335 HD21 LEU 335 2.834 4.128 11.858 188 HD22 LEU 335 HD22 LEU 335 1.393 3.119 11.994 189 HD23 LEU 335 HD23 LEU 335 1.259 4.775 11.397 190 H ARG 336 HN ARG 336 5.924 1.941 8.483 191 HA ARG 336 HA ARG 336 5.966 4.587 7.311 192 HB2 ARG 336 HB2 ARG 336 8.255 2.673 7.908 193 HB3 ARG 336 HB1 ARG 336 8.434 4.373 7.475 194 HG2 ARG 336 HG2 ARG 336 7.187 5.002 9.537 195 HG3 ARG 336 HG1 ARG 336 7.098 3.298 9.986 196 HD2 ARG 336 HD2 ARG 336 9.623 3.251 9.992 197 HD3 ARG 336 HD1 ARG 336 9.606 5.001 9.732 198 HE ARG 336 HE ARG 336 8.354 3.713 12.096 199 HH11 ARG 336 HH11 ARG 336 10.653 7.007 12.341 200 HH12 ARG 336 HH12 ARG 336 10.416 6.255 10.795 201 HH21 ARG 336 HH21 ARG 336 9.681 6.133 14.210 202 HH22 ARG 336 HH22 ARG 336 8.695 4.709 14.098 203 H CYS 337 HN CYS 337 5.240 1.857 5.805 204 HA CYS 337 HA CYS 337 6.984 1.657 3.619 205 HB2 CYS 337 HB2 CYS 337 5.460 -0.130 4.369 206 HB3 CYS 337 HB1 CYS 337 4.077 0.826 3.858 207 H GLU 338 HN GLU 338 7.296 3.060 2.071 208 HA GLU 338 HA GLU 338 5.683 5.277 1.362 209 HB2 GLU 338 HB2 GLU 338 7.954 3.873 -0.112 210 HB3 GLU 338 HB1 GLU 338 7.273 5.425 -0.595 211 HG2 GLU 338 HG2 GLU 338 8.074 6.512 1.383 212 HG3 GLU 338 HG1 GLU 338 8.491 4.970 2.142 213 H PHE 339 HN PHE 339 5.784 1.975 0.342 214 HA PHE 339 HA PHE 339 4.138 2.266 -2.022 215 HB2 PHE 339 HB2 PHE 339 4.936 -0.269 -0.509 216 HB3 PHE 339 HB1 PHE 339 4.265 -0.187 -2.137 217 HD1 PHE 339 HD1 PHE 339 7.281 0.426 -0.070 218 HD2 PHE 339 HD2 PHE 339 5.685 0.418 -4.047 219 HE1 PHE 339 HE1 PHE 339 9.554 0.564 -0.989 220 HE2 PHE 339 HE2 PHE 339 7.964 0.550 -4.953 221 HZ PHE 339 HZ PHE 339 9.897 0.620 -3.428 222 H VAL 340 HN VAL 340 2.006 2.353 -1.975 223 HA VAL 340 HA VAL 340 0.553 2.440 0.498 224 HB VAL 340 HB VAL 340 -0.437 2.742 -2.375 225 HG11 VAL 340 HG11 VAL 340 -2.413 3.887 -1.368 226 HG12 VAL 340 HG12 VAL 340 -1.828 3.476 0.243 227 HG13 VAL 340 HG13 VAL 340 -2.320 2.197 -0.866 228 HG21 VAL 340 HG21 VAL 340 0.354 4.867 -0.333 229 HG22 VAL 340 HG22 VAL 340 -0.330 5.181 -1.930 230 HG23 VAL 340 HG23 VAL 340 1.263 4.436 -1.787 231 H HIS 341 HN HIS 341 -0.764 0.963 1.334 232 HA HIS 341 HA HIS 341 -0.927 -1.719 0.164 233 HB2 HIS 341 HB2 HIS 341 -2.090 -0.840 2.842 234 HB3 HIS 341 HB1 HIS 341 -1.563 -2.455 2.351 235 HD1 HIS 341 HD1 HIS 341 -0.482 0.049 4.557 236 HD2 HIS 341 HD2 HIS 341 1.400 -2.137 1.580 237 HE1 HIS 341 HE1 HIS 341 2.013 0.280 4.957 238 HA PRO 342 HA PRO 342 -4.716 -0.427 -1.872 239 HB2 PRO 342 HB2 PRO 342 -5.737 -2.972 -2.496 240 HB3 PRO 342 HB1 PRO 342 -4.498 -2.115 -3.440 241 HG2 PRO 342 HG2 PRO 342 -4.139 -4.226 -1.323 242 HG3 PRO 342 HG1 PRO 342 -3.326 -4.063 -2.900 243 HD2 PRO 342 HD2 PRO 342 -2.062 -3.307 -0.659 244 HD3 PRO 342 HD1 PRO 342 -1.910 -2.325 -2.139 245 H THR 343 HN THR 343 -4.995 -2.936 0.637 246 HA THR 343 HA THR 343 -7.814 -2.398 1.153 247 HB THR 343 HB THR 343 -5.957 -4.205 2.769 248 HG1 THR 343 HG1 THR 343 -6.848 -4.469 0.216 249 HG21 THR 343 HG21 THR 343 -8.174 -3.742 3.800 250 HG22 THR 343 HG22 THR 343 -8.027 -5.432 3.311 251 HG23 THR 343 HG23 THR 343 -8.966 -4.303 2.330 252 H ASP 344 HN ASP 344 -4.657 -1.686 2.619 253 HA ASP 344 HA ASP 344 -5.840 -0.463 4.989 254 HB2 ASP 344 HB2 ASP 344 -3.773 -1.676 5.318 255 HB3 ASP 344 HB1 ASP 344 -2.967 -0.753 4.064 256 H LYS 345 HN LYS 345 -7.014 1.248 4.310 257 HA LYS 345 HA LYS 345 -6.041 3.199 2.402 258 HB2 LYS 345 HB2 LYS 345 -8.374 2.560 2.273 259 HB3 LYS 345 HB1 LYS 345 -8.640 2.944 3.965 260 HG2 LYS 345 HG2 LYS 345 -9.646 4.639 2.541 261 HG3 LYS 345 HG1 LYS 345 -8.331 5.344 3.485 262 HD2 LYS 345 HD2 LYS 345 -6.845 5.261 1.513 263 HD3 LYS 345 HD1 LYS 345 -8.125 4.492 0.563 264 HE2 LYS 345 HE2 LYS 345 -8.263 7.272 1.786 265 HE3 LYS 345 HE1 LYS 345 -7.943 6.920 0.087 266 HZ1 LYS 345 HZ1 LYS 345 -10.459 6.322 1.574 267 HZ2 LYS 345 HZ2 LYS 345 -10.158 5.879 -0.034 268 HZ3 LYS 345 HZ3 LYS 345 -10.240 7.514 0.391 269 H GLU 346 HN GLU 346 -5.176 5.094 2.837 270 HA GLU 346 HA GLU 346 -5.644 6.481 5.398 271 HB2 GLU 346 HB2 GLU 346 -3.333 5.624 5.477 272 HB3 GLU 346 HB1 GLU 346 -2.992 6.298 3.883 273 HG2 GLU 346 HG2 GLU 346 -3.343 8.591 4.802 274 HG3 GLU 346 HG1 GLU 346 -3.625 7.878 6.396 Start of MODEL 7 1 H1 ASN 312 HT1 ASN 312 -9.797 7.982 -12.323 2 H2 ASN 312 HT2 ASN 312 -10.337 6.761 -11.289 3 H3 ASN 312 HT3 ASN 312 -8.797 7.410 -11.092 4 HA ASN 312 HA ASN 312 -9.671 9.528 -10.497 5 HB2 ASN 312 HB2 ASN 312 -11.745 9.419 -11.859 6 HB3 ASN 312 HB1 ASN 312 -12.393 8.164 -10.803 7 HD21 ASN 312 HD21 ASN 312 -11.577 11.569 -11.065 8 HD22 ASN 312 HD22 ASN 312 -12.525 12.095 -9.717 9 H ASN 313 HN ASN 313 -11.111 6.404 -9.543 10 HA ASN 313 HA ASN 313 -11.075 6.796 -6.741 11 HB2 ASN 313 HB2 ASN 313 -12.430 5.031 -7.878 12 HB3 ASN 313 HB1 ASN 313 -10.955 4.182 -8.308 13 HD21 ASN 313 HD21 ASN 313 -13.250 3.285 -6.737 14 HD22 ASN 313 HD22 ASN 313 -12.624 2.783 -5.208 15 H LYS 314 HN LYS 314 -9.217 7.383 -5.786 16 HA LYS 314 HA LYS 314 -6.715 5.878 -6.311 17 HB2 LYS 314 HB2 LYS 314 -7.011 8.684 -5.139 18 HB3 LYS 314 HB1 LYS 314 -5.491 7.833 -5.408 19 HG2 LYS 314 HG2 LYS 314 -5.968 7.862 -7.873 20 HG3 LYS 314 HG1 LYS 314 -7.417 8.827 -7.549 21 HD2 LYS 314 HD2 LYS 314 -4.526 9.628 -6.951 22 HD3 LYS 314 HD1 LYS 314 -5.543 10.273 -8.242 23 HE2 LYS 314 HE2 LYS 314 -7.027 11.315 -6.588 24 HE3 LYS 314 HE1 LYS 314 -6.109 10.589 -5.267 25 HZ1 LYS 314 HZ1 LYS 314 -4.195 11.889 -5.914 26 HZ2 LYS 314 HZ2 LYS 314 -5.515 12.903 -5.629 27 HZ3 LYS 314 HZ3 LYS 314 -5.038 12.561 -7.213 28 H TYR 315 HN TYR 315 -8.474 4.565 -4.749 29 HA TYR 315 HA TYR 315 -7.284 4.627 -2.062 30 HB2 TYR 315 HB2 TYR 315 -9.235 2.689 -3.381 31 HB3 TYR 315 HB1 TYR 315 -8.577 2.436 -1.767 32 HD1 TYR 315 HD1 TYR 315 -8.665 5.171 -0.619 33 HD2 TYR 315 HD2 TYR 315 -11.569 3.121 -3.000 34 HE1 TYR 315 HE1 TYR 315 -10.443 6.527 0.377 35 HE2 TYR 315 HE2 TYR 315 -13.344 4.489 -1.998 36 HH TYR 315 HH TYR 315 -12.677 7.275 -0.121 37 H LYS 316 HN LYS 316 -5.528 4.522 -4.281 38 HA LYS 316 HA LYS 316 -3.873 2.283 -3.995 39 HB2 LYS 316 HB2 LYS 316 -4.303 1.222 -6.243 40 HB3 LYS 316 HB1 LYS 316 -5.660 1.041 -5.136 41 HG2 LYS 316 HG2 LYS 316 -6.768 2.997 -6.277 42 HG3 LYS 316 HG1 LYS 316 -5.460 2.990 -7.459 43 HD2 LYS 316 HD2 LYS 316 -7.274 0.601 -6.950 44 HD3 LYS 316 HD1 LYS 316 -7.627 1.841 -8.149 45 HE2 LYS 316 HE2 LYS 316 -6.640 0.000 -9.312 46 HE3 LYS 316 HE1 LYS 316 -5.430 1.273 -9.261 47 HZ1 LYS 316 HZ1 LYS 316 -4.316 0.103 -7.484 48 HZ2 LYS 316 HZ2 LYS 316 -4.507 -0.912 -8.818 49 HZ3 LYS 316 HZ3 LYS 316 -5.513 -1.088 -7.476 50 H THR 317 HN THR 317 -1.973 2.657 -5.115 51 HA THR 317 HA THR 317 -1.659 4.858 -7.001 52 HB THR 317 HB THR 317 -0.260 4.829 -4.272 53 HG1 THR 317 HG1 THR 317 -2.314 6.380 -5.405 54 HG21 THR 317 HG21 THR 317 0.870 6.913 -4.953 55 HG22 THR 317 HG22 THR 317 0.163 6.788 -6.565 56 HG23 THR 317 HG23 THR 317 1.329 5.580 -6.018 57 H LYS 318 HN LYS 318 0.428 2.963 -4.799 58 HA LYS 318 HA LYS 318 0.969 1.052 -6.965 59 HB2 LYS 318 HB2 LYS 318 3.085 2.356 -5.201 60 HB3 LYS 318 HB1 LYS 318 3.357 0.812 -6.010 61 HG2 LYS 318 HG2 LYS 318 2.991 1.924 -8.198 62 HG3 LYS 318 HG1 LYS 318 2.783 3.468 -7.364 63 HD2 LYS 318 HD2 LYS 318 5.113 3.312 -6.517 64 HD3 LYS 318 HD1 LYS 318 5.319 1.768 -7.354 65 HE2 LYS 318 HE2 LYS 318 6.318 3.658 -8.619 66 HE3 LYS 318 HE1 LYS 318 5.017 2.880 -9.520 67 HZ1 LYS 318 HZ1 LYS 318 4.766 5.393 -7.960 68 HZ2 LYS 318 HZ2 LYS 318 3.529 4.657 -8.843 69 HZ3 LYS 318 HZ3 LYS 318 4.875 5.289 -9.643 70 H LEU 319 HN LEU 319 -0.049 -0.693 -6.203 71 HA LEU 319 HA LEU 319 -0.340 -1.619 -3.581 72 HB2 LEU 319 HB2 LEU 319 -1.517 -2.707 -5.423 73 HB3 LEU 319 HB1 LEU 319 -0.007 -3.138 -6.207 74 HG LEU 319 HG LEU 319 0.490 -4.721 -4.295 75 HD11 LEU 319 HD11 LEU 319 -2.329 -4.062 -3.398 76 HD12 LEU 319 HD12 LEU 319 -0.838 -3.665 -2.541 77 HD13 LEU 319 HD13 LEU 319 -1.310 -5.349 -2.745 78 HD21 LEU 319 HD21 LEU 319 -1.108 -6.462 -4.968 79 HD22 LEU 319 HD22 LEU 319 -0.497 -5.575 -6.362 80 HD23 LEU 319 HD23 LEU 319 -2.120 -5.241 -5.749 81 H CYS 320 HN CYS 320 1.044 -2.611 -2.188 82 HA CYS 320 HA CYS 320 3.836 -2.430 -2.498 83 HB2 CYS 320 HB2 CYS 320 2.219 -4.050 -0.495 84 HB3 CYS 320 HB1 CYS 320 3.941 -3.700 -0.365 85 H LYS 321 HN LYS 321 5.205 -3.679 -3.462 86 HA LYS 321 HA LYS 321 4.834 -6.109 -4.800 87 HB2 LYS 321 HB2 LYS 321 7.355 -6.184 -4.777 88 HB3 LYS 321 HB1 LYS 321 6.707 -4.617 -5.265 89 HG2 LYS 321 HG2 LYS 321 7.100 -3.778 -2.928 90 HG3 LYS 321 HG1 LYS 321 7.862 -5.327 -2.539 91 HD2 LYS 321 HD2 LYS 321 8.807 -3.303 -4.608 92 HD3 LYS 321 HD1 LYS 321 9.547 -3.608 -3.035 93 HE2 LYS 321 HE2 LYS 321 10.045 -5.952 -3.789 94 HE3 LYS 321 HE1 LYS 321 9.423 -5.530 -5.388 95 HZ1 LYS 321 HZ1 LYS 321 11.843 -5.366 -5.239 96 HZ2 LYS 321 HZ2 LYS 321 11.698 -4.182 -4.043 97 HZ3 LYS 321 HZ3 LYS 321 11.133 -3.879 -5.605 98 H ASN 322 HN ASN 322 5.476 -5.421 -1.448 99 HA ASN 322 HA ASN 322 6.217 -7.986 -0.493 100 HB2 ASN 322 HB2 ASN 322 4.701 -5.760 0.962 101 HB3 ASN 322 HB1 ASN 322 5.606 -7.076 1.717 102 HD21 ASN 322 HD21 ASN 322 7.849 -6.906 1.865 103 HD22 ASN 322 HD22 ASN 322 8.718 -5.486 1.407 104 H PHE 323 HN PHE 323 3.099 -6.296 -0.823 105 HA PHE 323 HA PHE 323 1.490 -8.428 0.248 106 HB2 PHE 323 HB2 PHE 323 0.866 -5.761 -1.037 107 HB3 PHE 323 HB1 PHE 323 -0.428 -6.915 -0.737 108 HD1 PHE 323 HD1 PHE 323 -1.697 -6.319 1.139 109 HD2 PHE 323 HD2 PHE 323 2.536 -5.682 1.294 110 HE1 PHE 323 HE1 PHE 323 -1.901 -5.495 3.446 111 HE2 PHE 323 HE2 PHE 323 2.313 -4.858 3.603 112 HZ PHE 323 HZ PHE 323 0.101 -4.759 4.680 113 H ALA 324 HN ALA 324 2.572 -7.482 -2.936 114 HA ALA 324 HA ALA 324 0.902 -9.287 -4.436 115 HB1 ALA 324 HB1 ALA 324 1.954 -7.328 -5.513 116 HB2 ALA 324 HB2 ALA 324 2.486 -8.822 -6.290 117 HB3 ALA 324 HB3 ALA 324 3.558 -7.983 -5.164 118 H ARG 325 HN ARG 325 1.203 -11.449 -4.713 119 HA ARG 325 HA ARG 325 2.893 -12.872 -2.956 120 HB2 ARG 325 HB2 ARG 325 0.751 -13.785 -3.663 121 HB3 ARG 325 HB1 ARG 325 1.271 -13.871 -5.342 122 HG2 ARG 325 HG2 ARG 325 2.780 -15.673 -4.885 123 HG3 ARG 325 HG1 ARG 325 2.657 -15.436 -3.140 124 HD2 ARG 325 HD2 ARG 325 1.395 -17.431 -3.965 125 HD3 ARG 325 HD1 ARG 325 0.389 -16.255 -3.118 126 HE ARG 325 HE ARG 325 0.015 -15.489 -5.657 127 HH11 ARG 325 HH11 ARG 325 -1.301 -19.282 -5.415 128 HH12 ARG 325 HH12 ARG 325 -0.130 -18.724 -4.265 129 HH21 ARG 325 HH21 ARG 325 -1.518 -16.257 -7.145 130 HH22 ARG 325 HH22 ARG 325 -2.085 -17.891 -7.040 131 H GLY 326 HN GLY 326 4.744 -14.117 -3.334 132 HA2 GLY 326 HA2 GLY 326 6.757 -14.595 -4.602 133 HA3 GLY 326 HA1 GLY 326 6.427 -13.184 -5.599 134 H GLY 327 HN GLY 327 5.540 -11.641 -3.206 135 HA2 GLY 327 HA2 GLY 327 8.050 -10.950 -1.887 136 HA3 GLY 327 HA1 GLY 327 6.473 -10.202 -1.653 137 H THR 328 HN THR 328 6.571 -10.316 0.604 138 HA THR 328 HA THR 328 6.668 -12.987 1.913 139 HB THR 328 HB THR 328 7.050 -11.576 4.011 140 HG1 THR 328 HG1 THR 328 7.280 -9.405 3.781 141 HG21 THR 328 HG21 THR 328 8.989 -12.570 2.837 142 HG22 THR 328 HG22 THR 328 9.396 -10.977 3.481 143 HG23 THR 328 HG23 THR 328 9.063 -11.171 1.758 144 H GLY 329 HN GLY 329 4.612 -10.406 1.113 145 HA2 GLY 329 HA2 GLY 329 2.313 -10.130 1.378 146 HA3 GLY 329 HA1 GLY 329 2.317 -11.341 2.650 147 H PHE 330 HN PHE 330 4.792 -9.617 3.616 148 HA PHE 330 HA PHE 330 3.258 -7.595 5.137 149 HB2 PHE 330 HB2 PHE 330 3.975 -9.437 6.591 150 HB3 PHE 330 HB1 PHE 330 5.624 -9.321 5.991 151 HD1 PHE 330 HD1 PHE 330 7.185 -8.145 7.308 152 HD2 PHE 330 HD2 PHE 330 3.031 -7.170 7.676 153 HE1 PHE 330 HE1 PHE 330 7.707 -6.575 9.121 154 HE2 PHE 330 HE2 PHE 330 3.572 -5.602 9.488 155 HZ PHE 330 HZ PHE 330 5.906 -5.302 10.213 156 H CYS 331 HN CYS 331 3.961 -5.506 4.866 157 HA CYS 331 HA CYS 331 6.475 -4.894 3.540 158 HB2 CYS 331 HB2 CYS 331 4.458 -3.048 4.883 159 HB3 CYS 331 HB1 CYS 331 5.845 -2.531 3.939 160 HA PRO 332 HA PRO 332 8.839 -5.376 7.399 161 HB2 PRO 332 HB2 PRO 332 10.837 -3.630 5.952 162 HB3 PRO 332 HB1 PRO 332 11.070 -5.219 6.719 163 HG2 PRO 332 HG2 PRO 332 10.962 -5.049 4.081 164 HG3 PRO 332 HG1 PRO 332 10.136 -6.379 4.929 165 HD2 PRO 332 HD2 PRO 332 8.939 -3.867 3.766 166 HD3 PRO 332 HD1 PRO 332 8.345 -5.542 3.683 167 H TYR 333 HN TYR 333 8.383 -2.252 5.902 168 HA TYR 333 HA TYR 333 9.212 -0.652 8.156 169 HB2 TYR 333 HB2 TYR 333 7.664 0.169 5.659 170 HB3 TYR 333 HB1 TYR 333 8.536 1.243 6.747 171 HD1 TYR 333 HD1 TYR 333 10.999 1.456 6.583 172 HD2 TYR 333 HD2 TYR 333 8.896 -1.320 4.091 173 HE1 TYR 333 HE1 TYR 333 13.017 1.142 5.209 174 HE2 TYR 333 HE2 TYR 333 10.911 -1.625 2.727 175 HH TYR 333 HH TYR 333 12.993 -0.451 2.203 176 H GLY 334 HN GLY 334 6.336 -2.282 7.262 177 HA2 GLY 334 HA2 GLY 334 4.259 -2.434 8.248 178 HA3 GLY 334 HA1 GLY 334 4.721 -1.166 9.389 179 H LEU 335 HN LEU 335 3.238 0.415 9.200 180 HA LEU 335 HA LEU 335 1.836 1.153 6.829 181 HB2 LEU 335 HB2 LEU 335 0.912 1.495 9.082 182 HB3 LEU 335 HB1 LEU 335 2.190 2.633 9.465 183 HG LEU 335 HG LEU 335 1.280 4.235 7.785 184 HD11 LEU 335 HD11 LEU 335 0.299 2.680 6.180 185 HD12 LEU 335 HD12 LEU 335 -0.917 3.833 6.725 186 HD13 LEU 335 HD13 LEU 335 -0.917 2.185 7.361 187 HD21 LEU 335 HD21 LEU 335 0.515 4.410 10.102 188 HD22 LEU 335 HD22 LEU 335 -0.796 3.271 9.778 189 HD23 LEU 335 HD23 LEU 335 -0.779 4.853 8.990 190 H ARG 336 HN ARG 336 4.941 1.976 8.067 191 HA ARG 336 HA ARG 336 5.340 4.575 6.957 192 HB2 ARG 336 HB2 ARG 336 7.303 2.413 7.792 193 HB3 ARG 336 HB1 ARG 336 7.772 4.062 7.395 194 HG2 ARG 336 HG2 ARG 336 6.823 4.947 9.354 195 HG3 ARG 336 HG1 ARG 336 5.777 3.548 9.608 196 HD2 ARG 336 HD2 ARG 336 7.755 3.748 11.192 197 HD3 ARG 336 HD1 ARG 336 7.589 2.196 10.364 198 HE ARG 336 HE ARG 336 9.468 4.291 9.425 199 HH11 ARG 336 HH11 ARG 336 10.488 0.431 9.951 200 HH12 ARG 336 HH12 ARG 336 8.889 0.952 10.376 201 HH21 ARG 336 HH21 ARG 336 11.548 3.574 8.855 202 HH22 ARG 336 HH22 ARG 336 11.989 1.913 9.090 203 H CYS 337 HN CYS 337 5.226 1.507 5.474 204 HA CYS 337 HA CYS 337 7.098 1.529 3.428 205 HB2 CYS 337 HB2 CYS 337 5.797 -0.430 3.924 206 HB3 CYS 337 HB1 CYS 337 4.284 0.410 3.592 207 H GLU 338 HN GLU 338 7.390 2.704 1.674 208 HA GLU 338 HA GLU 338 5.976 4.998 0.918 209 HB2 GLU 338 HB2 GLU 338 7.422 4.937 -1.144 210 HB3 GLU 338 HB1 GLU 338 8.324 4.722 0.356 211 HG2 GLU 338 HG2 GLU 338 8.311 2.245 -0.048 212 HG3 GLU 338 HG1 GLU 338 7.528 2.538 -1.599 213 H PHE 339 HN PHE 339 5.689 1.670 -0.219 214 HA PHE 339 HA PHE 339 3.799 2.266 -2.340 215 HB2 PHE 339 HB2 PHE 339 4.478 -0.420 -1.063 216 HB3 PHE 339 HB1 PHE 339 3.656 -0.169 -2.602 217 HD1 PHE 339 HD1 PHE 339 6.756 -0.987 -1.168 218 HD2 PHE 339 HD2 PHE 339 5.078 1.377 -4.326 219 HE1 PHE 339 HE1 PHE 339 8.908 -1.028 -2.354 220 HE2 PHE 339 HE2 PHE 339 7.236 1.322 -5.502 221 HZ PHE 339 HZ PHE 339 9.151 0.121 -4.519 222 H VAL 340 HN VAL 340 1.602 2.286 -2.124 223 HA VAL 340 HA VAL 340 0.502 2.468 0.534 224 HB VAL 340 HB VAL 340 -0.134 4.012 -1.372 225 HG11 VAL 340 HG11 VAL 340 -1.744 1.652 -2.402 226 HG12 VAL 340 HG12 VAL 340 -0.344 2.384 -3.191 227 HG13 VAL 340 HG13 VAL 340 -1.835 3.309 -3.011 228 HG21 VAL 340 HG21 VAL 340 -1.508 3.926 0.663 229 HG22 VAL 340 HG22 VAL 340 -2.461 2.598 -0.009 230 HG23 VAL 340 HG23 VAL 340 -2.523 4.197 -0.757 231 H HIS 341 HN HIS 341 -1.069 1.161 1.451 232 HA HIS 341 HA HIS 341 -0.964 -1.646 0.628 233 HB2 HIS 341 HB2 HIS 341 -2.060 -0.424 3.212 234 HB3 HIS 341 HB1 HIS 341 -1.695 -2.130 2.931 235 HD1 HIS 341 HD1 HIS 341 -0.289 0.427 4.793 236 HD2 HIS 341 HD2 HIS 341 1.256 -2.017 1.837 237 HE1 HIS 341 HE1 HIS 341 2.217 0.614 4.975 238 HA PRO 342 HA PRO 342 -5.105 -1.551 -1.042 239 HB2 PRO 342 HB2 PRO 342 -5.808 -4.201 -0.930 240 HB3 PRO 342 HB1 PRO 342 -4.575 -3.595 -2.062 241 HG2 PRO 342 HG2 PRO 342 -4.176 -4.916 0.617 242 HG3 PRO 342 HG1 PRO 342 -3.347 -5.235 -0.926 243 HD2 PRO 342 HD2 PRO 342 -2.215 -3.674 0.989 244 HD3 PRO 342 HD1 PRO 342 -1.966 -3.357 -0.740 245 H THR 343 HN THR 343 -4.495 -2.933 2.110 246 HA THR 343 HA THR 343 -7.251 -2.502 3.003 247 HB THR 343 HB THR 343 -4.908 -3.653 4.601 248 HG1 THR 343 HG1 THR 343 -6.486 -4.767 2.590 249 HG21 THR 343 HG21 THR 343 -6.868 -2.973 5.968 250 HG22 THR 343 HG22 THR 343 -6.680 -4.728 5.949 251 HG23 THR 343 HG23 THR 343 -7.916 -3.965 4.949 252 H ASP 344 HN ASP 344 -7.288 -0.240 2.929 253 HA ASP 344 HA ASP 344 -5.949 1.183 5.139 254 HB2 ASP 344 HB2 ASP 344 -4.611 1.616 3.063 255 HB3 ASP 344 HB1 ASP 344 -6.057 2.186 2.244 256 H LYS 345 HN LYS 345 -7.818 1.328 6.276 257 HA LYS 345 HA LYS 345 -10.301 2.315 4.959 258 HB2 LYS 345 HB2 LYS 345 -11.494 0.929 6.749 259 HB3 LYS 345 HB1 LYS 345 -10.639 0.014 5.512 260 HG2 LYS 345 HG2 LYS 345 -8.746 -0.346 7.087 261 HG3 LYS 345 HG1 LYS 345 -9.624 0.543 8.334 262 HD2 LYS 345 HD2 LYS 345 -10.627 -2.019 7.017 263 HD3 LYS 345 HD1 LYS 345 -9.750 -1.971 8.549 264 HE2 LYS 345 HE2 LYS 345 -12.417 -0.588 8.040 265 HE3 LYS 345 HE1 LYS 345 -12.228 -2.151 8.831 266 HZ1 LYS 345 HZ1 LYS 345 -10.990 -1.101 10.597 267 HZ2 LYS 345 HZ2 LYS 345 -12.478 -0.326 10.411 268 HZ3 LYS 345 HZ3 LYS 345 -11.072 0.397 9.824 269 H GLU 346 HN GLU 346 -8.019 3.654 6.442 270 HA GLU 346 HA GLU 346 -9.200 4.678 8.906 271 HB2 GLU 346 HB2 GLU 346 -6.505 5.155 7.566 272 HB3 GLU 346 HB1 GLU 346 -6.987 5.930 9.061 273 HG2 GLU 346 HG2 GLU 346 -5.488 4.029 9.460 274 HG3 GLU 346 HG1 GLU 346 -7.067 3.810 10.220 Start of MODEL 8 1 H1 ASN 312 HT1 ASN 312 -3.833 13.650 -12.919 2 H2 ASN 312 HT2 ASN 312 -2.960 14.603 -11.834 3 H3 ASN 312 HT3 ASN 312 -4.645 14.573 -11.747 4 HA ASN 312 HA ASN 312 -3.713 13.283 -9.993 5 HB2 ASN 312 HB2 ASN 312 -4.885 11.110 -10.446 6 HB3 ASN 312 HB1 ASN 312 -5.858 12.521 -10.831 7 HD21 ASN 312 HD21 ASN 312 -6.008 9.718 -11.804 8 HD22 ASN 312 HD22 ASN 312 -5.941 9.822 -13.527 9 H ASN 313 HN ASN 313 -1.670 12.846 -9.508 10 HA ASN 313 HA ASN 313 0.146 11.480 -11.363 11 HB2 ASN 313 HB2 ASN 313 0.663 12.662 -8.593 12 HB3 ASN 313 HB1 ASN 313 1.896 12.030 -9.680 13 HD21 ASN 313 HD21 ASN 313 3.001 13.974 -9.813 14 HD22 ASN 313 HD22 ASN 313 2.377 15.355 -10.642 15 H LYS 314 HN LYS 314 1.370 9.595 -10.682 16 HA LYS 314 HA LYS 314 -0.068 7.682 -8.995 17 HB2 LYS 314 HB2 LYS 314 2.418 7.439 -10.755 18 HB3 LYS 314 HB1 LYS 314 1.864 6.128 -9.729 19 HG2 LYS 314 HG2 LYS 314 1.097 5.602 -11.894 20 HG3 LYS 314 HG1 LYS 314 -0.316 6.155 -11.006 21 HD2 LYS 314 HD2 LYS 314 1.063 8.294 -12.568 22 HD3 LYS 314 HD1 LYS 314 0.398 6.992 -13.555 23 HE2 LYS 314 HE2 LYS 314 -1.169 8.638 -11.538 24 HE3 LYS 314 HE1 LYS 314 -1.200 8.863 -13.288 25 HZ1 LYS 314 HZ1 LYS 314 -2.146 6.664 -13.532 26 HZ2 LYS 314 HZ2 LYS 314 -3.102 7.575 -12.480 27 HZ3 LYS 314 HZ3 LYS 314 -2.064 6.389 -11.867 28 H TYR 315 HN TYR 315 0.849 9.873 -7.541 29 HA TYR 315 HA TYR 315 3.453 9.912 -6.590 30 HB2 TYR 315 HB2 TYR 315 2.179 11.894 -6.341 31 HB3 TYR 315 HB1 TYR 315 0.835 11.058 -5.583 32 HD1 TYR 315 HD1 TYR 315 4.475 11.851 -4.889 33 HD2 TYR 315 HD2 TYR 315 0.550 11.339 -3.256 34 HE1 TYR 315 HE1 TYR 315 5.298 12.524 -2.666 35 HE2 TYR 315 HE2 TYR 315 1.383 12.009 -1.045 36 HH TYR 315 HH TYR 315 3.502 12.069 0.179 37 H LYS 316 HN LYS 316 0.611 8.898 -4.623 38 HA LYS 316 HA LYS 316 2.387 7.240 -2.965 39 HB2 LYS 316 HB2 LYS 316 0.837 8.911 -1.882 40 HB3 LYS 316 HB1 LYS 316 -0.528 7.967 -2.468 41 HG2 LYS 316 HG2 LYS 316 -0.059 7.464 -0.118 42 HG3 LYS 316 HG1 LYS 316 0.192 6.042 -1.133 43 HD2 LYS 316 HD2 LYS 316 2.647 6.442 -1.079 44 HD3 LYS 316 HD1 LYS 316 2.391 7.861 -0.055 45 HE2 LYS 316 HE2 LYS 316 1.721 4.983 0.660 46 HE3 LYS 316 HE1 LYS 316 3.079 5.921 1.289 47 HZ1 LYS 316 HZ1 LYS 316 1.301 5.888 2.879 48 HZ2 LYS 316 HZ2 LYS 316 0.191 6.458 1.743 49 HZ3 LYS 316 HZ3 LYS 316 1.446 7.461 2.274 50 H THR 317 HN THR 317 -0.123 7.036 -5.358 51 HA THR 317 HA THR 317 -1.128 4.451 -4.878 52 HB THR 317 HB THR 317 -0.992 5.931 -7.549 53 HG1 THR 317 HG1 THR 317 -2.460 6.331 -5.251 54 HG21 THR 317 HG21 THR 317 -2.997 4.603 -8.135 55 HG22 THR 317 HG22 THR 317 -2.908 3.762 -6.584 56 HG23 THR 317 HG23 THR 317 -1.632 3.537 -7.782 57 H LYS 318 HN LYS 318 0.632 3.147 -4.427 58 HA LYS 318 HA LYS 318 2.010 1.867 -6.672 59 HB2 LYS 318 HB2 LYS 318 3.446 3.053 -4.238 60 HB3 LYS 318 HB1 LYS 318 4.193 1.894 -5.334 61 HG2 LYS 318 HG2 LYS 318 4.171 3.485 -7.154 62 HG3 LYS 318 HG1 LYS 318 3.169 4.611 -6.236 63 HD2 LYS 318 HD2 LYS 318 6.042 3.834 -5.566 64 HD3 LYS 318 HD1 LYS 318 5.526 5.354 -6.305 65 HE2 LYS 318 HE2 LYS 318 4.184 5.845 -4.242 66 HE3 LYS 318 HE1 LYS 318 4.833 4.375 -3.508 67 HZ1 LYS 318 HZ1 LYS 318 6.117 6.221 -2.766 68 HZ2 LYS 318 HZ2 LYS 318 6.362 6.780 -4.344 69 HZ3 LYS 318 HZ3 LYS 318 7.081 5.338 -3.841 70 H LEU 319 HN LEU 319 1.107 -0.129 -6.354 71 HA LEU 319 HA LEU 319 0.252 -1.112 -3.807 72 HB2 LEU 319 HB2 LEU 319 -0.959 -1.820 -5.756 73 HB3 LEU 319 HB1 LEU 319 0.499 -2.414 -6.539 74 HG LEU 319 HG LEU 319 0.627 -4.251 -4.815 75 HD11 LEU 319 HD11 LEU 319 -2.066 -3.206 -3.894 76 HD12 LEU 319 HD12 LEU 319 -0.560 -3.198 -2.971 77 HD13 LEU 319 HD13 LEU 319 -1.324 -4.729 -3.391 78 HD21 LEU 319 HD21 LEU 319 -1.973 -4.164 -6.371 79 HD22 LEU 319 HD22 LEU 319 -1.187 -5.612 -5.736 80 HD23 LEU 319 HD23 LEU 319 -0.400 -4.668 -7.000 81 H CYS 320 HN CYS 320 1.297 -2.303 -2.360 82 HA CYS 320 HA CYS 320 4.050 -2.975 -2.498 83 HB2 CYS 320 HB2 CYS 320 1.918 -4.030 -0.595 84 HB3 CYS 320 HB1 CYS 320 3.665 -4.106 -0.345 85 H LYS 321 HN LYS 321 4.988 -4.710 -3.460 86 HA LYS 321 HA LYS 321 3.653 -6.973 -4.549 87 HB2 LYS 321 HB2 LYS 321 5.923 -7.996 -4.706 88 HB3 LYS 321 HB1 LYS 321 5.902 -6.351 -5.327 89 HG2 LYS 321 HG2 LYS 321 7.059 -5.504 -3.413 90 HG3 LYS 321 HG1 LYS 321 6.817 -6.994 -2.509 91 HD2 LYS 321 HD2 LYS 321 9.142 -6.785 -3.249 92 HD3 LYS 321 HD1 LYS 321 8.371 -8.183 -3.991 93 HE2 LYS 321 HE2 LYS 321 8.615 -5.538 -5.457 94 HE3 LYS 321 HE1 LYS 321 9.911 -6.731 -5.466 95 HZ1 LYS 321 HZ1 LYS 321 8.541 -6.987 -7.401 96 HZ2 LYS 321 HZ2 LYS 321 7.149 -7.154 -6.467 97 HZ3 LYS 321 HZ3 LYS 321 8.349 -8.340 -6.406 98 H ASN 322 HN ASN 322 4.779 -6.129 -1.401 99 HA ASN 322 HA ASN 322 4.915 -8.627 -0.103 100 HB2 ASN 322 HB2 ASN 322 4.155 -5.915 1.088 101 HB3 ASN 322 HB1 ASN 322 4.772 -7.309 1.975 102 HD21 ASN 322 HD21 ASN 322 7.013 -7.710 1.950 103 HD22 ASN 322 HD22 ASN 322 8.149 -6.616 1.245 104 H PHE 323 HN PHE 323 2.239 -6.319 -0.572 105 HA PHE 323 HA PHE 323 0.419 -7.849 1.118 106 HB2 PHE 323 HB2 PHE 323 0.359 -5.095 -0.114 107 HB3 PHE 323 HB1 PHE 323 -1.165 -5.833 0.371 108 HD1 PHE 323 HD1 PHE 323 2.294 -5.373 1.843 109 HD2 PHE 323 HD2 PHE 323 -1.935 -5.250 2.509 110 HE1 PHE 323 HE1 PHE 323 2.669 -4.664 4.174 111 HE2 PHE 323 HE2 PHE 323 -1.537 -4.542 4.830 112 HZ PHE 323 HZ PHE 323 0.758 -4.252 5.666 113 H ALA 324 HN ALA 324 1.316 -8.375 -1.925 114 HA ALA 324 HA ALA 324 -1.143 -8.980 -3.241 115 HB1 ALA 324 HB1 ALA 324 1.604 -10.277 -3.528 116 HB2 ALA 324 HB2 ALA 324 1.012 -8.894 -4.450 117 HB3 ALA 324 HB3 ALA 324 0.256 -10.476 -4.653 118 H ARG 325 HN ARG 325 -2.615 -10.519 -2.659 119 HA ARG 325 HA ARG 325 -2.308 -12.140 -0.353 120 HB2 ARG 325 HB2 ARG 325 -4.496 -11.954 -2.450 121 HB3 ARG 325 HB1 ARG 325 -4.542 -13.234 -1.242 122 HG2 ARG 325 HG2 ARG 325 -5.922 -11.432 -0.458 123 HG3 ARG 325 HG1 ARG 325 -4.484 -11.501 0.558 124 HD2 ARG 325 HD2 ARG 325 -5.017 -9.184 0.083 125 HD3 ARG 325 HD1 ARG 325 -3.519 -9.601 -0.764 126 HE ARG 325 HE ARG 325 -5.943 -9.910 -2.329 127 HH11 ARG 325 HH11 ARG 325 -3.396 -7.644 -1.450 128 HH12 ARG 325 HH12 ARG 325 -3.654 -6.653 -2.849 129 HH21 ARG 325 HH21 ARG 325 -6.233 -8.605 -4.157 130 HH22 ARG 325 HH22 ARG 325 -5.247 -7.192 -4.375 131 H GLY 326 HN GLY 326 -1.627 -14.160 -0.059 132 HA2 GLY 326 HA2 GLY 326 -1.021 -16.381 -0.759 133 HA3 GLY 326 HA1 GLY 326 -0.746 -15.778 -2.386 134 H GLY 327 HN GLY 327 0.523 -13.329 -1.018 135 HA2 GLY 327 HA2 GLY 327 3.265 -14.346 -0.897 136 HA3 GLY 327 HA1 GLY 327 2.758 -12.663 -0.983 137 H THR 328 HN THR 328 4.328 -12.261 0.722 138 HA THR 328 HA THR 328 4.217 -13.487 3.284 139 HB THR 328 HB THR 328 6.286 -12.447 2.519 140 HG1 THR 328 HG1 THR 328 5.883 -12.463 4.800 141 HG21 THR 328 HG21 THR 328 6.588 -10.012 2.342 142 HG22 THR 328 HG22 THR 328 4.873 -9.759 2.680 143 HG23 THR 328 HG23 THR 328 5.371 -10.570 1.192 144 H GLY 329 HN GLY 329 2.715 -10.624 1.924 145 HA2 GLY 329 HA2 GLY 329 0.846 -9.462 2.564 146 HA3 GLY 329 HA1 GLY 329 0.700 -10.502 3.965 147 H PHE 330 HN PHE 330 3.749 -9.491 4.314 148 HA PHE 330 HA PHE 330 3.021 -7.051 5.828 149 HB2 PHE 330 HB2 PHE 330 3.612 -9.128 7.189 150 HB3 PHE 330 HB1 PHE 330 5.235 -9.039 6.519 151 HD1 PHE 330 HD1 PHE 330 2.725 -7.002 8.417 152 HD2 PHE 330 HD2 PHE 330 6.875 -7.771 7.682 153 HE1 PHE 330 HE1 PHE 330 3.341 -5.445 10.221 154 HE2 PHE 330 HE2 PHE 330 7.474 -6.205 9.483 155 HZ PHE 330 HZ PHE 330 5.710 -5.044 10.750 156 H CYS 331 HN CYS 331 4.230 -5.218 5.430 157 HA CYS 331 HA CYS 331 6.421 -5.321 3.487 158 HB2 CYS 331 HB2 CYS 331 5.019 -2.969 4.810 159 HB3 CYS 331 HB1 CYS 331 6.320 -2.820 3.634 160 HA PRO 332 HA PRO 332 9.673 -5.300 6.571 161 HB2 PRO 332 HB2 PRO 332 11.654 -3.834 5.297 162 HB3 PRO 332 HB1 PRO 332 11.245 -5.510 4.876 163 HG2 PRO 332 HG2 PRO 332 10.359 -2.970 3.534 164 HG3 PRO 332 HG1 PRO 332 10.932 -4.486 2.803 165 HD2 PRO 332 HD2 PRO 332 8.295 -3.916 2.930 166 HD3 PRO 332 HD1 PRO 332 8.887 -5.581 3.125 167 H TYR 333 HN TYR 333 8.599 -2.237 5.275 168 HA TYR 333 HA TYR 333 9.500 -0.727 7.621 169 HB2 TYR 333 HB2 TYR 333 8.139 0.147 5.037 170 HB3 TYR 333 HB1 TYR 333 8.577 1.246 6.344 171 HD1 TYR 333 HD1 TYR 333 10.015 -1.154 3.864 172 HD2 TYR 333 HD2 TYR 333 10.814 2.122 6.495 173 HE1 TYR 333 HE1 TYR 333 12.270 -0.950 2.916 174 HE2 TYR 333 HE2 TYR 333 13.078 2.324 5.538 175 HH TYR 333 HH TYR 333 14.045 0.756 2.681 176 H GLY 334 HN GLY 334 6.689 -2.273 6.324 177 HA2 GLY 334 HA2 GLY 334 4.567 -2.587 7.070 178 HA3 GLY 334 HA1 GLY 334 5.135 -2.093 8.655 179 H LEU 335 HN LEU 335 4.532 -0.140 9.427 180 HA LEU 335 HA LEU 335 2.394 1.334 8.295 181 HB2 LEU 335 HB2 LEU 335 2.837 1.138 10.733 182 HB3 LEU 335 HB1 LEU 335 4.310 2.072 10.548 183 HG LEU 335 HG LEU 335 2.915 4.058 9.855 184 HD11 LEU 335 HD11 LEU 335 0.933 2.898 9.010 185 HD12 LEU 335 HD12 LEU 335 0.500 4.058 10.262 186 HD13 LEU 335 HD13 LEU 335 0.548 2.333 10.640 187 HD21 LEU 335 HD21 LEU 335 2.103 4.598 12.105 188 HD22 LEU 335 HD22 LEU 335 3.688 3.830 12.163 189 HD23 LEU 335 HD23 LEU 335 2.244 2.900 12.575 190 H ARG 336 HN ARG 336 5.854 1.659 8.169 191 HA ARG 336 HA ARG 336 5.839 4.414 7.176 192 HB2 ARG 336 HB2 ARG 336 8.182 2.562 7.798 193 HB3 ARG 336 HB1 ARG 336 8.267 4.296 7.507 194 HG2 ARG 336 HG2 ARG 336 6.908 2.968 9.883 195 HG3 ARG 336 HG1 ARG 336 8.501 3.737 9.898 196 HD2 ARG 336 HD2 ARG 336 5.856 5.125 9.335 197 HD3 ARG 336 HD1 ARG 336 6.772 5.220 10.843 198 HE ARG 336 HE ARG 336 7.640 6.336 8.227 199 HH11 ARG 336 HH11 ARG 336 7.760 6.406 11.749 200 HH12 ARG 336 HH12 ARG 336 8.735 7.844 11.809 201 HH21 ARG 336 HH21 ARG 336 8.909 8.224 8.318 202 HH22 ARG 336 HH22 ARG 336 9.395 8.873 9.854 203 H CYS 337 HN CYS 337 4.993 1.880 5.574 204 HA CYS 337 HA CYS 337 6.948 1.622 3.447 205 HB2 CYS 337 HB2 CYS 337 5.604 -0.299 4.173 206 HB3 CYS 337 HB1 CYS 337 4.117 0.554 3.783 207 H GLU 338 HN GLU 338 7.112 2.991 1.764 208 HA GLU 338 HA GLU 338 5.209 5.077 1.233 209 HB2 GLU 338 HB2 GLU 338 7.519 4.298 -0.592 210 HB3 GLU 338 HB1 GLU 338 6.671 5.833 -0.537 211 HG2 GLU 338 HG2 GLU 338 8.488 6.492 0.660 212 HG3 GLU 338 HG1 GLU 338 7.596 5.785 2.003 213 H PHE 339 HN PHE 339 5.810 1.905 -0.104 214 HA PHE 339 HA PHE 339 3.903 2.055 -2.234 215 HB2 PHE 339 HB2 PHE 339 4.861 -0.340 -0.597 216 HB3 PHE 339 HB1 PHE 339 3.854 -0.458 -2.032 217 HD1 PHE 339 HD1 PHE 339 7.260 0.023 -0.764 218 HD2 PHE 339 HD2 PHE 339 4.803 0.049 -4.275 219 HE1 PHE 339 HE1 PHE 339 9.262 -0.130 -2.181 220 HE2 PHE 339 HE2 PHE 339 6.820 -0.102 -5.676 221 HZ PHE 339 HZ PHE 339 9.047 -0.193 -4.632 222 H VAL 340 HN VAL 340 1.791 2.495 -1.872 223 HA VAL 340 HA VAL 340 0.701 2.427 0.791 224 HB VAL 340 HB VAL 340 0.243 4.219 -0.986 225 HG11 VAL 340 HG11 VAL 340 -1.626 3.891 -2.538 226 HG12 VAL 340 HG12 VAL 340 -1.765 2.204 -2.041 227 HG13 VAL 340 HG13 VAL 340 -0.312 2.758 -2.880 228 HG21 VAL 340 HG21 VAL 340 -0.950 4.172 1.139 229 HG22 VAL 340 HG22 VAL 340 -2.126 3.024 0.490 230 HG23 VAL 340 HG23 VAL 340 -2.044 4.666 -0.156 231 H HIS 341 HN HIS 341 -1.060 1.208 1.505 232 HA HIS 341 HA HIS 341 -1.085 -1.515 0.440 233 HB2 HIS 341 HB2 HIS 341 -2.190 -0.420 3.069 234 HB3 HIS 341 HB1 HIS 341 -1.999 -2.126 2.652 235 HD1 HIS 341 HD1 HIS 341 -0.489 -0.410 5.014 236 HD2 HIS 341 HD2 HIS 341 1.072 -1.789 1.430 237 HE1 HIS 341 HE1 HIS 341 2.015 -0.481 5.319 238 HA PRO 342 HA PRO 342 -4.987 -0.940 -1.545 239 HB2 PRO 342 HB2 PRO 342 -5.843 -3.513 -1.861 240 HB3 PRO 342 HB1 PRO 342 -4.415 -2.885 -2.723 241 HG2 PRO 342 HG2 PRO 342 -4.507 -4.519 -0.190 242 HG3 PRO 342 HG1 PRO 342 -3.495 -4.755 -1.635 243 HD2 PRO 342 HD2 PRO 342 -2.541 -3.507 0.585 244 HD3 PRO 342 HD1 PRO 342 -2.017 -3.034 -1.050 245 H THR 343 HN THR 343 -4.869 -2.627 1.512 246 HA THR 343 HA THR 343 -7.656 -2.894 2.033 247 HB THR 343 HB THR 343 -6.838 -3.301 4.420 248 HG1 THR 343 HG1 THR 343 -4.951 -1.924 4.218 249 HG21 THR 343 HG21 THR 343 -5.627 -5.399 3.871 250 HG22 THR 343 HG22 THR 343 -5.408 -4.837 2.211 251 HG23 THR 343 HG23 THR 343 -7.030 -5.180 2.821 252 H ASP 344 HN ASP 344 -5.355 -0.320 2.474 253 HA ASP 344 HA ASP 344 -7.425 1.603 3.005 254 HB2 ASP 344 HB2 ASP 344 -6.362 2.527 5.088 255 HB3 ASP 344 HB1 ASP 344 -7.077 0.938 5.319 256 H LYS 345 HN LYS 345 -6.858 2.737 1.250 257 HA LYS 345 HA LYS 345 -4.054 3.340 0.668 258 HB2 LYS 345 HB2 LYS 345 -5.628 2.549 -1.148 259 HB3 LYS 345 HB1 LYS 345 -6.499 4.068 -0.982 260 HG2 LYS 345 HG2 LYS 345 -3.837 4.899 -1.348 261 HG3 LYS 345 HG1 LYS 345 -3.967 3.488 -2.395 262 HD2 LYS 345 HD2 LYS 345 -4.478 5.493 -3.666 263 HD3 LYS 345 HD1 LYS 345 -5.944 4.524 -3.496 264 HE2 LYS 345 HE2 LYS 345 -6.395 6.937 -3.154 265 HE3 LYS 345 HE1 LYS 345 -6.743 6.008 -1.696 266 HZ1 LYS 345 HZ1 LYS 345 -4.243 7.535 -2.175 267 HZ2 LYS 345 HZ2 LYS 345 -4.664 6.731 -0.752 268 HZ3 LYS 345 HZ3 LYS 345 -5.540 8.078 -1.260 269 H GLU 346 HN GLU 346 -3.406 4.955 2.066 270 HA GLU 346 HA GLU 346 -4.747 7.594 1.804 271 HB2 GLU 346 HB2 GLU 346 -2.775 6.616 3.923 272 HB3 GLU 346 HB1 GLU 346 -3.384 8.265 3.813 273 HG2 GLU 346 HG2 GLU 346 -5.654 7.501 4.297 274 HG3 GLU 346 HG1 GLU 346 -5.120 5.818 4.290 Start of MODEL 9 1 H1 ASN 312 HT1 ASN 312 -9.551 6.595 -16.440 2 H2 ASN 312 HT2 ASN 312 -8.486 7.672 -17.189 3 H3 ASN 312 HT3 ASN 312 -9.809 8.264 -16.322 4 HA ASN 312 HA ASN 312 -7.791 8.531 -15.060 5 HB2 ASN 312 HB2 ASN 312 -8.529 7.460 -12.963 6 HB3 ASN 312 HB1 ASN 312 -9.915 8.104 -13.831 7 HD21 ASN 312 HD21 ASN 312 -9.812 6.012 -11.781 8 HD22 ASN 312 HD22 ASN 312 -10.511 4.598 -12.498 9 H ASN 313 HN ASN 313 -6.032 7.522 -13.890 10 HA ASN 313 HA ASN 313 -5.165 4.830 -14.764 11 HB2 ASN 313 HB2 ASN 313 -3.407 7.330 -14.697 12 HB3 ASN 313 HB1 ASN 313 -2.861 5.702 -15.071 13 HD21 ASN 313 HD21 ASN 313 -5.068 5.010 -16.831 14 HD22 ASN 313 HD22 ASN 313 -4.833 5.941 -18.266 15 H LYS 314 HN LYS 314 -4.466 3.675 -13.028 16 HA LYS 314 HA LYS 314 -4.320 4.923 -10.386 17 HB2 LYS 314 HB2 LYS 314 -4.522 2.052 -11.349 18 HB3 LYS 314 HB1 LYS 314 -3.955 2.374 -9.720 19 HG2 LYS 314 HG2 LYS 314 -6.306 1.844 -9.666 20 HG3 LYS 314 HG1 LYS 314 -6.076 3.530 -9.206 21 HD2 LYS 314 HD2 LYS 314 -6.837 4.270 -11.403 22 HD3 LYS 314 HD1 LYS 314 -6.947 2.597 -11.967 23 HE2 LYS 314 HE2 LYS 314 -9.165 3.541 -11.345 24 HE3 LYS 314 HE1 LYS 314 -8.741 2.135 -10.369 25 HZ1 LYS 314 HZ1 LYS 314 -9.704 3.921 -9.044 26 HZ2 LYS 314 HZ2 LYS 314 -8.467 4.966 -9.505 27 HZ3 LYS 314 HZ3 LYS 314 -8.111 3.613 -8.567 28 H TYR 315 HN TYR 315 -2.284 6.005 -11.575 29 HA TYR 315 HA TYR 315 0.141 4.538 -10.678 30 HB2 TYR 315 HB2 TYR 315 -0.102 6.820 -12.694 31 HB3 TYR 315 HB1 TYR 315 1.428 6.148 -12.127 32 HD1 TYR 315 HD1 TYR 315 -1.076 5.871 -14.653 33 HD2 TYR 315 HD2 TYR 315 1.716 3.521 -12.429 34 HE1 TYR 315 HE1 TYR 315 -1.196 4.108 -16.360 35 HE2 TYR 315 HE2 TYR 315 1.596 1.764 -14.143 36 HH TYR 315 HH TYR 315 0.281 2.231 -17.181 37 H LYS 316 HN LYS 316 -1.955 7.073 -9.885 38 HA LYS 316 HA LYS 316 -0.167 8.552 -8.169 39 HB2 LYS 316 HB2 LYS 316 -2.136 9.620 -7.225 40 HB3 LYS 316 HB1 LYS 316 -2.279 9.599 -8.973 41 HG2 LYS 316 HG2 LYS 316 -3.612 7.443 -7.351 42 HG3 LYS 316 HG1 LYS 316 -4.348 9.039 -7.427 43 HD2 LYS 316 HD2 LYS 316 -3.601 7.562 -9.963 44 HD3 LYS 316 HD1 LYS 316 -5.102 7.198 -9.117 45 HE2 LYS 316 HE2 LYS 316 -5.446 8.803 -10.964 46 HE3 LYS 316 HE1 LYS 316 -5.878 9.504 -9.409 47 HZ1 LYS 316 HZ1 LYS 316 -4.658 11.052 -10.824 48 HZ2 LYS 316 HZ2 LYS 316 -3.340 10.001 -10.876 49 HZ3 LYS 316 HZ3 LYS 316 -3.789 10.715 -9.413 50 H THR 317 HN THR 317 -1.592 5.493 -8.036 51 HA THR 317 HA THR 317 -0.874 5.176 -5.178 52 HB THR 317 HB THR 317 -3.246 4.615 -5.585 53 HG1 THR 317 HG1 THR 317 -3.166 2.528 -4.669 54 HG21 THR 317 HG21 THR 317 -3.128 3.965 -7.967 55 HG22 THR 317 HG22 THR 317 -3.902 2.708 -6.999 56 HG23 THR 317 HG23 THR 317 -2.230 2.512 -7.526 57 H LYS 318 HN LYS 318 0.218 3.082 -4.676 58 HA LYS 318 HA LYS 318 1.646 1.762 -6.870 59 HB2 LYS 318 HB2 LYS 318 3.857 2.048 -5.619 60 HB3 LYS 318 HB1 LYS 318 3.221 3.504 -6.369 61 HG2 LYS 318 HG2 LYS 318 2.437 4.332 -4.195 62 HG3 LYS 318 HG1 LYS 318 2.962 2.836 -3.422 63 HD2 LYS 318 HD2 LYS 318 4.595 4.562 -2.966 64 HD3 LYS 318 HD1 LYS 318 5.320 3.381 -4.059 65 HE2 LYS 318 HE2 LYS 318 5.905 5.637 -4.749 66 HE3 LYS 318 HE1 LYS 318 4.860 4.906 -5.965 67 HZ1 LYS 318 HZ1 LYS 318 4.258 7.206 -5.471 68 HZ2 LYS 318 HZ2 LYS 318 3.967 6.804 -3.856 69 HZ3 LYS 318 HZ3 LYS 318 3.004 6.149 -5.077 70 H LEU 319 HN LEU 319 0.334 0.025 -6.372 71 HA LEU 319 HA LEU 319 -0.235 -1.039 -3.851 72 HB2 LEU 319 HB2 LEU 319 -1.417 -1.515 -6.031 73 HB3 LEU 319 HB1 LEU 319 -0.096 -2.562 -6.498 74 HG LEU 319 HG LEU 319 -1.713 -3.149 -3.983 75 HD11 LEU 319 HD11 LEU 319 -2.448 -4.067 -6.781 76 HD12 LEU 319 HD12 LEU 319 -3.353 -2.923 -5.789 77 HD13 LEU 319 HD13 LEU 319 -3.208 -4.600 -5.277 78 HD21 LEU 319 HD21 LEU 319 0.346 -4.449 -4.269 79 HD22 LEU 319 HD22 LEU 319 -0.196 -4.990 -5.858 80 HD23 LEU 319 HD23 LEU 319 -1.075 -5.481 -4.406 81 H CYS 320 HN CYS 320 0.957 -2.129 -2.415 82 HA CYS 320 HA CYS 320 3.684 -2.744 -2.702 83 HB2 CYS 320 HB2 CYS 320 1.667 -3.644 -0.612 84 HB3 CYS 320 HB1 CYS 320 3.381 -4.027 -0.511 85 H LYS 321 HN LYS 321 4.577 -4.343 -3.802 86 HA LYS 321 HA LYS 321 3.417 -6.646 -4.851 87 HB2 LYS 321 HB2 LYS 321 5.726 -7.518 -5.135 88 HB3 LYS 321 HB1 LYS 321 5.602 -5.840 -5.649 89 HG2 LYS 321 HG2 LYS 321 6.709 -5.062 -3.663 90 HG3 LYS 321 HG1 LYS 321 6.633 -6.662 -2.921 91 HD2 LYS 321 HD2 LYS 321 8.166 -7.525 -4.697 92 HD3 LYS 321 HD1 LYS 321 8.281 -5.891 -5.364 93 HE2 LYS 321 HE2 LYS 321 10.213 -6.453 -3.918 94 HE3 LYS 321 HE1 LYS 321 9.294 -5.084 -3.297 95 HZ1 LYS 321 HZ1 LYS 321 9.062 -7.880 -2.306 96 HZ2 LYS 321 HZ2 LYS 321 8.250 -6.535 -1.687 97 HZ3 LYS 321 HZ3 LYS 321 9.929 -6.643 -1.549 98 H ASN 322 HN ASN 322 4.687 -6.007 -1.667 99 HA ASN 322 HA ASN 322 4.887 -8.607 -0.582 100 HB2 ASN 322 HB2 ASN 322 4.185 -6.005 0.867 101 HB3 ASN 322 HB1 ASN 322 4.779 -7.482 1.627 102 HD21 ASN 322 HD21 ASN 322 6.603 -6.580 2.490 103 HD22 ASN 322 HD22 ASN 322 7.915 -5.964 1.554 104 H PHE 323 HN PHE 323 2.238 -6.257 -0.686 105 HA PHE 323 HA PHE 323 0.375 -7.985 0.718 106 HB2 PHE 323 HB2 PHE 323 0.160 -5.193 -0.457 107 HB3 PHE 323 HB1 PHE 323 -1.263 -6.053 0.119 108 HD1 PHE 323 HD1 PHE 323 2.230 -5.345 1.414 109 HD2 PHE 323 HD2 PHE 323 -1.960 -5.479 2.272 110 HE1 PHE 323 HE1 PHE 323 2.668 -4.587 3.722 111 HE2 PHE 323 HE2 PHE 323 -1.509 -4.718 4.573 112 HZ PHE 323 HZ PHE 323 0.803 -4.275 5.304 113 H ALA 324 HN ALA 324 1.293 -7.508 -2.541 114 HA ALA 324 HA ALA 324 -1.050 -8.605 -3.795 115 HB1 ALA 324 HB1 ALA 324 1.812 -8.441 -4.816 116 HB2 ALA 324 HB2 ALA 324 0.556 -7.224 -5.056 117 HB3 ALA 324 HB3 ALA 324 0.385 -8.820 -5.788 118 H ARG 325 HN ARG 325 -1.155 -10.731 -4.808 119 HA ARG 325 HA ARG 325 -0.530 -12.848 -3.013 120 HB2 ARG 325 HB2 ARG 325 -1.556 -13.022 -5.884 121 HB3 ARG 325 HB1 ARG 325 -1.517 -14.359 -4.735 122 HG2 ARG 325 HG2 ARG 325 -3.055 -13.073 -3.250 123 HG3 ARG 325 HG1 ARG 325 -3.163 -11.827 -4.500 124 HD2 ARG 325 HD2 ARG 325 -3.977 -14.737 -4.815 125 HD3 ARG 325 HD1 ARG 325 -5.079 -13.373 -4.601 126 HE ARG 325 HE ARG 325 -3.510 -12.806 -6.828 127 HH11 ARG 325 HH11 ARG 325 -5.893 -15.242 -5.953 128 HH12 ARG 325 HH12 ARG 325 -6.418 -15.488 -7.586 129 HH21 ARG 325 HH21 ARG 325 -5.460 -14.279 -9.300 130 HH22 ARG 325 HH22 ARG 325 -4.207 -13.127 -8.961 131 H GLY 326 HN GLY 326 1.125 -14.268 -2.955 132 HA2 GLY 326 HA2 GLY 326 3.093 -15.364 -3.880 133 HA3 GLY 326 HA1 GLY 326 3.326 -13.977 -4.942 134 H GLY 327 HN GLY 327 2.556 -12.155 -2.699 135 HA2 GLY 327 HA2 GLY 327 5.059 -12.055 -1.178 136 HA3 GLY 327 HA1 GLY 327 3.793 -10.836 -1.228 137 H THR 328 HN THR 328 4.815 -11.488 1.184 138 HA THR 328 HA THR 328 3.253 -13.559 2.509 139 HB THR 328 HB THR 328 5.605 -13.270 3.150 140 HG1 THR 328 HG1 THR 328 3.830 -12.576 5.283 141 HG21 THR 328 HG21 THR 328 6.435 -11.330 4.366 142 HG22 THR 328 HG22 THR 328 4.859 -10.547 4.275 143 HG23 THR 328 HG23 THR 328 5.798 -10.807 2.805 144 H GLY 329 HN GLY 329 2.863 -10.252 1.803 145 HA2 GLY 329 HA2 GLY 329 0.938 -8.978 2.158 146 HA3 GLY 329 HA1 GLY 329 0.433 -10.080 3.426 147 H PHE 330 HN PHE 330 3.567 -9.380 4.026 148 HA PHE 330 HA PHE 330 2.976 -7.122 5.850 149 HB2 PHE 330 HB2 PHE 330 3.518 -9.302 6.944 150 HB3 PHE 330 HB1 PHE 330 5.049 -9.359 6.084 151 HD1 PHE 330 HD1 PHE 330 6.982 -8.338 7.040 152 HD2 PHE 330 HD2 PHE 330 3.115 -7.384 8.602 153 HE1 PHE 330 HE1 PHE 330 8.029 -7.151 8.920 154 HE2 PHE 330 HE2 PHE 330 4.174 -6.193 10.478 155 HZ PHE 330 HZ PHE 330 6.630 -6.074 10.635 156 H CYS 331 HN CYS 331 4.029 -5.244 5.350 157 HA CYS 331 HA CYS 331 6.400 -5.222 3.639 158 HB2 CYS 331 HB2 CYS 331 4.787 -2.964 4.902 159 HB3 CYS 331 HB1 CYS 331 6.238 -2.703 3.942 160 HA PRO 332 HA PRO 332 9.208 -5.353 7.233 161 HB2 PRO 332 HB2 PRO 332 11.149 -4.011 5.360 162 HB3 PRO 332 HB1 PRO 332 11.330 -5.521 6.278 163 HG2 PRO 332 HG2 PRO 332 10.953 -5.598 3.649 164 HG3 PRO 332 HG1 PRO 332 10.160 -6.789 4.707 165 HD2 PRO 332 HD2 PRO 332 8.984 -4.322 3.428 166 HD3 PRO 332 HD1 PRO 332 8.292 -5.956 3.580 167 H TYR 333 HN TYR 333 8.627 -2.525 5.289 168 HA TYR 333 HA TYR 333 9.575 -0.562 7.175 169 HB2 TYR 333 HB2 TYR 333 7.876 -0.300 4.664 170 HB3 TYR 333 HB1 TYR 333 8.505 1.059 5.582 171 HD1 TYR 333 HD1 TYR 333 10.758 1.813 5.272 172 HD2 TYR 333 HD2 TYR 333 9.481 -1.815 3.413 173 HE1 TYR 333 HE1 TYR 333 12.810 1.780 3.926 174 HE2 TYR 333 HE2 TYR 333 11.537 -1.845 2.066 175 HH TYR 333 HH TYR 333 14.194 0.215 2.709 176 H GLY 334 HN GLY 334 6.529 -2.165 6.427 177 HA2 GLY 334 HA2 GLY 334 4.494 -2.235 7.469 178 HA3 GLY 334 HA1 GLY 334 5.264 -1.501 8.866 179 H LEU 335 HN LEU 335 4.526 0.452 9.433 180 HA LEU 335 HA LEU 335 2.603 1.940 7.917 181 HB2 LEU 335 HB2 LEU 335 2.693 1.954 10.418 182 HB3 LEU 335 HB1 LEU 335 4.226 2.808 10.354 183 HG LEU 335 HG LEU 335 3.045 4.747 9.240 184 HD11 LEU 335 HD11 LEU 335 1.144 3.578 8.250 185 HD12 LEU 335 HD12 LEU 335 0.592 4.874 9.306 186 HD13 LEU 335 HD13 LEU 335 0.508 3.198 9.855 187 HD21 LEU 335 HD21 LEU 335 3.493 4.736 11.665 188 HD22 LEU 335 HD22 LEU 335 1.926 3.977 11.953 189 HD23 LEU 335 HD23 LEU 335 2.009 5.605 11.279 190 H ARG 336 HN ARG 336 6.083 2.074 8.294 191 HA ARG 336 HA ARG 336 6.472 4.716 7.192 192 HB2 ARG 336 HB2 ARG 336 8.511 2.496 7.668 193 HB3 ARG 336 HB1 ARG 336 8.876 4.195 7.369 194 HG2 ARG 336 HG2 ARG 336 7.696 4.777 9.495 195 HG3 ARG 336 HG1 ARG 336 7.458 3.057 9.799 196 HD2 ARG 336 HD2 ARG 336 9.904 2.735 9.885 197 HD3 ARG 336 HD1 ARG 336 10.146 4.455 9.547 198 HE ARG 336 HE ARG 336 8.508 3.905 11.867 199 HH11 ARG 336 HH11 ARG 336 11.825 4.404 10.764 200 HH12 ARG 336 HH12 ARG 336 12.401 4.873 12.333 201 HH21 ARG 336 HH21 ARG 336 9.254 4.551 13.897 202 HH22 ARG 336 HH22 ARG 336 10.925 4.957 14.127 203 H CYS 337 HN CYS 337 5.606 1.866 5.763 204 HA CYS 337 HA CYS 337 7.135 1.810 3.378 205 HB2 CYS 337 HB2 CYS 337 5.812 -0.102 4.201 206 HB3 CYS 337 HB1 CYS 337 4.325 0.794 3.948 207 H GLU 338 HN GLU 338 7.166 3.320 1.869 208 HA GLU 338 HA GLU 338 5.209 5.358 1.419 209 HB2 GLU 338 HB2 GLU 338 7.454 4.362 -0.396 210 HB3 GLU 338 HB1 GLU 338 6.551 5.859 -0.628 211 HG2 GLU 338 HG2 GLU 338 7.476 6.803 1.410 212 HG3 GLU 338 HG1 GLU 338 8.253 5.277 1.817 213 H PHE 339 HN PHE 339 5.783 2.159 0.132 214 HA PHE 339 HA PHE 339 4.040 2.260 -2.104 215 HB2 PHE 339 HB2 PHE 339 4.934 -0.153 -0.481 216 HB3 PHE 339 HB1 PHE 339 4.232 -0.204 -2.093 217 HD1 PHE 339 HD1 PHE 339 5.524 0.884 -4.013 218 HD2 PHE 339 HD2 PHE 339 7.290 0.135 -0.190 219 HE1 PHE 339 HE1 PHE 339 7.765 1.068 -5.007 220 HE2 PHE 339 HE2 PHE 339 9.529 0.321 -1.193 221 HZ PHE 339 HZ PHE 339 9.768 0.791 -3.602 222 H VAL 340 HN VAL 340 1.925 2.122 -2.219 223 HA VAL 340 HA VAL 340 0.234 2.400 0.038 224 HB VAL 340 HB VAL 340 -0.466 1.967 -2.901 225 HG11 VAL 340 HG11 VAL 340 -2.256 2.942 -0.646 226 HG12 VAL 340 HG12 VAL 340 -2.381 1.390 -1.476 227 HG13 VAL 340 HG13 VAL 340 -2.695 2.886 -2.357 228 HG21 VAL 340 HG21 VAL 340 0.873 4.001 -2.529 229 HG22 VAL 340 HG22 VAL 340 -0.275 4.548 -1.304 230 HG23 VAL 340 HG23 VAL 340 -0.782 4.413 -2.990 231 H HIS 341 HN HIS 341 -0.850 0.926 1.156 232 HA HIS 341 HA HIS 341 -0.798 -1.898 0.419 233 HB2 HIS 341 HB2 HIS 341 -1.946 -0.578 2.909 234 HB3 HIS 341 HB1 HIS 341 -1.594 -2.289 2.701 235 HD1 HIS 341 HD1 HIS 341 -0.292 0.032 4.746 236 HD2 HIS 341 HD2 HIS 341 1.424 -2.019 1.587 237 HE1 HIS 341 HE1 HIS 341 2.207 0.192 5.077 238 HA PRO 342 HA PRO 342 -4.815 -1.266 -1.611 239 HB2 PRO 342 HB2 PRO 342 -5.355 -3.909 -2.220 240 HB3 PRO 342 HB1 PRO 342 -4.179 -2.926 -3.116 241 HG2 PRO 342 HG2 PRO 342 -3.674 -4.882 -0.893 242 HG3 PRO 342 HG1 PRO 342 -2.831 -4.709 -2.452 243 HD2 PRO 342 HD2 PRO 342 -1.774 -3.674 -0.219 244 HD3 PRO 342 HD1 PRO 342 -1.652 -2.807 -1.765 245 H THR 343 HN THR 343 -4.314 -3.129 1.231 246 HA THR 343 HA THR 343 -7.190 -3.523 1.786 247 HB THR 343 HB THR 343 -5.665 -5.508 1.993 248 HG1 THR 343 HG1 THR 343 -6.795 -4.597 4.452 249 HG21 THR 343 HG21 THR 343 -4.044 -5.644 3.806 250 HG22 THR 343 HG22 THR 343 -4.426 -3.998 4.309 251 HG23 THR 343 HG23 THR 343 -3.639 -4.283 2.754 252 H ASP 344 HN ASP 344 -5.052 -1.097 2.205 253 HA ASP 344 HA ASP 344 -5.963 -0.348 4.933 254 HB2 ASP 344 HB2 ASP 344 -3.573 -1.139 4.878 255 HB3 ASP 344 HB1 ASP 344 -3.193 0.142 3.742 256 H LYS 345 HN LYS 345 -5.867 1.958 5.352 257 HA LYS 345 HA LYS 345 -7.265 3.442 3.398 258 HB2 LYS 345 HB2 LYS 345 -7.668 3.737 5.797 259 HB3 LYS 345 HB1 LYS 345 -6.017 4.284 6.049 260 HG2 LYS 345 HG2 LYS 345 -7.565 6.166 6.127 261 HG3 LYS 345 HG1 LYS 345 -6.473 6.323 4.754 262 HD2 LYS 345 HD2 LYS 345 -8.615 7.000 3.975 263 HD3 LYS 345 HD1 LYS 345 -8.358 5.395 3.298 264 HE2 LYS 345 HE2 LYS 345 -10.023 5.960 5.783 265 HE3 LYS 345 HE1 LYS 345 -10.686 5.816 4.160 266 HZ1 LYS 345 HZ1 LYS 345 -9.722 3.535 4.105 267 HZ2 LYS 345 HZ2 LYS 345 -10.965 3.755 5.219 268 HZ3 LYS 345 HZ3 LYS 345 -9.367 3.694 5.749 269 H GLU 346 HN GLU 346 -6.599 4.884 1.935 270 HA GLU 346 HA GLU 346 -4.021 6.243 2.122 271 HB2 GLU 346 HB2 GLU 346 -3.441 4.255 0.809 272 HB3 GLU 346 HB1 GLU 346 -4.814 4.518 -0.262 273 HG2 GLU 346 HG2 GLU 346 -2.704 5.179 -1.332 274 HG3 GLU 346 HG1 GLU 346 -3.788 6.552 -1.144 Start of MODEL 10 1 H1 ASN 312 HT1 ASN 312 -0.630 10.875 -16.076 2 H2 ASN 312 HT2 ASN 312 0.878 11.469 -16.565 3 H3 ASN 312 HT3 ASN 312 -0.271 12.515 -15.900 4 HA ASN 312 HA ASN 312 0.995 10.262 -14.487 5 HB2 ASN 312 HB2 ASN 312 2.595 12.129 -15.008 6 HB3 ASN 312 HB1 ASN 312 1.543 13.244 -14.141 7 HD21 ASN 312 HD21 ASN 312 3.837 10.671 -13.861 8 HD22 ASN 312 HD22 ASN 312 4.026 10.730 -12.143 9 H ASN 313 HN ASN 313 -0.813 9.507 -13.448 10 HA ASN 313 HA ASN 313 -1.776 11.166 -11.215 11 HB2 ASN 313 HB2 ASN 313 -3.617 9.536 -13.032 12 HB3 ASN 313 HB1 ASN 313 -4.099 10.154 -11.458 13 HD21 ASN 313 HD21 ASN 313 -4.402 12.409 -11.199 14 HD22 ASN 313 HD22 ASN 313 -4.656 13.441 -12.560 15 H LYS 314 HN LYS 314 -2.701 9.815 -9.472 16 HA LYS 314 HA LYS 314 -2.655 8.149 -7.955 17 HB2 LYS 314 HB2 LYS 314 -2.586 6.394 -10.439 18 HB3 LYS 314 HB1 LYS 314 -2.909 5.794 -8.814 19 HG2 LYS 314 HG2 LYS 314 -4.939 7.214 -8.707 20 HG3 LYS 314 HG1 LYS 314 -4.621 7.782 -10.349 21 HD2 LYS 314 HD2 LYS 314 -4.854 5.431 -11.172 22 HD3 LYS 314 HD1 LYS 314 -5.231 4.910 -9.526 23 HE2 LYS 314 HE2 LYS 314 -7.279 5.181 -10.880 24 HE3 LYS 314 HE1 LYS 314 -7.251 6.320 -9.532 25 HZ1 LYS 314 HZ1 LYS 314 -6.426 7.006 -12.305 26 HZ2 LYS 314 HZ2 LYS 314 -6.618 8.078 -11.014 27 HZ3 LYS 314 HZ3 LYS 314 -7.963 7.304 -11.679 28 H TYR 315 HN TYR 315 -0.096 9.287 -8.806 29 HA TYR 315 HA TYR 315 1.895 7.317 -9.172 30 HB2 TYR 315 HB2 TYR 315 3.529 9.161 -8.743 31 HB3 TYR 315 HB1 TYR 315 2.310 9.572 -9.937 32 HD1 TYR 315 HD1 TYR 315 0.505 11.237 -9.369 33 HD2 TYR 315 HD2 TYR 315 3.712 10.417 -6.663 34 HE1 TYR 315 HE1 TYR 315 -0.009 13.294 -8.120 35 HE2 TYR 315 HE2 TYR 315 3.184 12.459 -5.413 36 HH TYR 315 HH TYR 315 2.069 14.637 -5.826 37 H LYS 316 HN LYS 316 0.598 8.801 -6.227 38 HA LYS 316 HA LYS 316 2.538 7.722 -4.415 39 HB2 LYS 316 HB2 LYS 316 -0.307 8.687 -3.910 40 HB3 LYS 316 HB1 LYS 316 0.809 8.219 -2.630 41 HG2 LYS 316 HG2 LYS 316 2.333 10.047 -3.309 42 HG3 LYS 316 HG1 LYS 316 1.189 10.524 -4.568 43 HD2 LYS 316 HD2 LYS 316 -0.512 11.008 -2.836 44 HD3 LYS 316 HD1 LYS 316 0.620 10.518 -1.574 45 HE2 LYS 316 HE2 LYS 316 1.081 12.828 -3.494 46 HE3 LYS 316 HE1 LYS 316 0.444 12.998 -1.857 47 HZ1 LYS 316 HZ1 LYS 316 2.834 13.429 -1.991 48 HZ2 LYS 316 HZ2 LYS 316 3.105 11.852 -2.523 49 HZ3 LYS 316 HZ3 LYS 316 2.491 12.126 -0.976 50 H THR 317 HN THR 317 -0.635 6.605 -5.581 51 HA THR 317 HA THR 317 -0.787 4.378 -3.795 52 HB THR 317 HB THR 317 -2.735 3.617 -5.202 53 HG1 THR 317 HG1 THR 317 -1.676 4.986 -7.076 54 HG21 THR 317 HG21 THR 317 -2.829 6.536 -4.353 55 HG22 THR 317 HG22 THR 317 -3.095 5.150 -3.292 56 HG23 THR 317 HG23 THR 317 -4.229 5.489 -4.603 57 H LYS 318 HN LYS 318 1.119 3.317 -4.010 58 HA LYS 318 HA LYS 318 1.539 1.667 -6.431 59 HB2 LYS 318 HB2 LYS 318 3.529 2.449 -4.240 60 HB3 LYS 318 HB1 LYS 318 3.892 1.430 -5.632 61 HG2 LYS 318 HG2 LYS 318 3.446 3.340 -7.146 62 HG3 LYS 318 HG1 LYS 318 3.084 4.359 -5.748 63 HD2 LYS 318 HD2 LYS 318 5.418 4.053 -4.937 64 HD3 LYS 318 HD1 LYS 318 5.773 3.050 -6.348 65 HE2 LYS 318 HE2 LYS 318 5.294 4.979 -7.823 66 HE3 LYS 318 HE1 LYS 318 4.955 5.974 -6.408 67 HZ1 LYS 318 HZ1 LYS 318 7.231 5.705 -5.703 68 HZ2 LYS 318 HZ2 LYS 318 7.187 6.326 -7.271 69 HZ3 LYS 318 HZ3 LYS 318 7.568 4.701 -7.016 70 H LEU 319 HN LEU 319 0.199 -0.004 -5.955 71 HA LEU 319 HA LEU 319 -0.386 -1.151 -3.493 72 HB2 LEU 319 HB2 LEU 319 -1.603 -1.422 -5.712 73 HB3 LEU 319 HB1 LEU 319 -0.395 -2.600 -6.175 74 HG LEU 319 HG LEU 319 -2.056 -3.012 -3.664 75 HD11 LEU 319 HD11 LEU 319 -2.896 -3.836 -6.466 76 HD12 LEU 319 HD12 LEU 319 -3.676 -2.606 -5.469 77 HD13 LEU 319 HD13 LEU 319 -3.707 -4.292 -4.962 78 HD21 LEU 319 HD21 LEU 319 -1.686 -5.401 -4.108 79 HD22 LEU 319 HD22 LEU 319 -0.163 -4.531 -3.952 80 HD23 LEU 319 HD23 LEU 319 -0.750 -4.993 -5.551 81 H CYS 320 HN CYS 320 0.914 -2.181 -2.105 82 HA CYS 320 HA CYS 320 3.535 -3.006 -2.646 83 HB2 CYS 320 HB2 CYS 320 1.741 -3.727 -0.309 84 HB3 CYS 320 HB1 CYS 320 3.453 -4.110 -0.384 85 H LYS 321 HN LYS 321 4.280 -4.733 -3.649 86 HA LYS 321 HA LYS 321 2.869 -6.998 -4.494 87 HB2 LYS 321 HB2 LYS 321 5.173 -8.010 -4.829 88 HB3 LYS 321 HB1 LYS 321 4.933 -6.437 -5.582 89 HG2 LYS 321 HG2 LYS 321 6.130 -5.358 -3.710 90 HG3 LYS 321 HG1 LYS 321 6.385 -6.941 -2.965 91 HD2 LYS 321 HD2 LYS 321 7.740 -7.644 -4.910 92 HD3 LYS 321 HD1 LYS 321 7.458 -6.078 -5.685 93 HE2 LYS 321 HE2 LYS 321 9.678 -6.176 -4.593 94 HE3 LYS 321 HE1 LYS 321 8.646 -4.938 -3.877 95 HZ1 LYS 321 HZ1 LYS 321 9.164 -7.637 -2.729 96 HZ2 LYS 321 HZ2 LYS 321 8.159 -6.464 -2.045 97 HZ3 LYS 321 HZ3 LYS 321 9.818 -6.180 -2.179 98 H ASN 322 HN ASN 322 4.482 -6.319 -1.453 99 HA ASN 322 HA ASN 322 4.394 -8.914 -0.298 100 HB2 ASN 322 HB2 ASN 322 4.347 -6.203 1.109 101 HB3 ASN 322 HB1 ASN 322 4.747 -7.745 1.866 102 HD21 ASN 322 HD21 ASN 322 6.864 -7.493 2.381 103 HD22 ASN 322 HD22 ASN 322 8.110 -7.029 1.282 104 H PHE 323 HN PHE 323 2.136 -6.180 -0.320 105 HA PHE 323 HA PHE 323 0.114 -7.640 1.233 106 HB2 PHE 323 HB2 PHE 323 0.350 -4.767 0.282 107 HB3 PHE 323 HB1 PHE 323 -1.191 -5.394 0.847 108 HD1 PHE 323 HD1 PHE 323 2.392 -5.403 2.029 109 HD2 PHE 323 HD2 PHE 323 -1.725 -4.884 3.066 110 HE1 PHE 323 HE1 PHE 323 3.029 -4.872 4.345 111 HE2 PHE 323 HE2 PHE 323 -1.078 -4.359 5.380 112 HZ PHE 323 HZ PHE 323 1.302 -4.355 6.026 113 H ALA 324 HN ALA 324 0.991 -7.699 -1.904 114 HA ALA 324 HA ALA 324 -1.585 -7.747 -3.212 115 HB1 ALA 324 HB1 ALA 324 -0.342 -8.619 -5.159 116 HB2 ALA 324 HB2 ALA 324 1.106 -8.805 -4.163 117 HB3 ALA 324 HB3 ALA 324 0.455 -7.197 -4.484 118 H ARG 325 HN ARG 325 -2.500 -9.704 -4.201 119 HA ARG 325 HA ARG 325 -2.730 -11.867 -2.380 120 HB2 ARG 325 HB2 ARG 325 -4.551 -11.179 -3.969 121 HB3 ARG 325 HB1 ARG 325 -3.591 -11.794 -5.309 122 HG2 ARG 325 HG2 ARG 325 -5.334 -13.393 -4.679 123 HG3 ARG 325 HG1 ARG 325 -3.731 -14.073 -4.383 124 HD2 ARG 325 HD2 ARG 325 -5.289 -14.583 -2.548 125 HD3 ARG 325 HD1 ARG 325 -3.948 -13.580 -1.986 126 HE ARG 325 HE ARG 325 -6.273 -12.061 -2.759 127 HH11 ARG 325 HH11 ARG 325 -4.881 -13.873 -0.054 128 HH12 ARG 325 HH12 ARG 325 -5.796 -13.008 1.144 129 HH21 ARG 325 HH21 ARG 325 -7.430 -10.925 -1.182 130 HH22 ARG 325 HH22 ARG 325 -7.245 -11.333 0.496 131 H GLY 326 HN GLY 326 -1.156 -13.284 -2.007 132 HA2 GLY 326 HA2 GLY 326 0.181 -15.169 -2.694 133 HA3 GLY 326 HA1 GLY 326 0.519 -14.348 -4.215 134 H GLY 327 HN GLY 327 0.600 -12.271 -1.470 135 HA2 GLY 327 HA2 GLY 327 3.563 -12.176 -1.495 136 HA3 GLY 327 HA1 GLY 327 2.479 -10.931 -0.888 137 H THR 328 HN THR 328 4.417 -11.386 0.783 138 HA THR 328 HA THR 328 3.993 -13.427 2.749 139 HB THR 328 HB THR 328 5.460 -11.916 4.207 140 HG1 THR 328 HG1 THR 328 6.482 -10.208 2.648 141 HG21 THR 328 HG21 THR 328 6.494 -13.664 2.797 142 HG22 THR 328 HG22 THR 328 7.522 -12.235 2.901 143 HG23 THR 328 HG23 THR 328 6.575 -12.534 1.444 144 H GLY 329 HN GLY 329 2.984 -10.096 2.340 145 HA2 GLY 329 HA2 GLY 329 0.978 -9.133 3.126 146 HA3 GLY 329 HA1 GLY 329 0.916 -10.306 4.434 147 H PHE 330 HN PHE 330 4.026 -9.476 4.492 148 HA PHE 330 HA PHE 330 3.638 -7.150 6.290 149 HB2 PHE 330 HB2 PHE 330 4.381 -9.162 7.509 150 HB3 PHE 330 HB1 PHE 330 5.744 -9.354 6.413 151 HD1 PHE 330 HD1 PHE 330 4.269 -6.929 8.869 152 HD2 PHE 330 HD2 PHE 330 7.835 -8.364 6.985 153 HE1 PHE 330 HE1 PHE 330 5.629 -5.503 10.343 154 HE2 PHE 330 HE2 PHE 330 9.183 -6.933 8.463 155 HZ PHE 330 HZ PHE 330 8.086 -5.501 10.140 156 H CYS 331 HN CYS 331 4.339 -5.311 5.333 157 HA CYS 331 HA CYS 331 6.523 -5.179 3.465 158 HB2 CYS 331 HB2 CYS 331 4.948 -3.067 4.980 159 HB3 CYS 331 HB1 CYS 331 6.296 -2.644 3.918 160 HA PRO 332 HA PRO 332 9.702 -5.401 6.747 161 HB2 PRO 332 HB2 PRO 332 11.513 -4.415 4.559 162 HB3 PRO 332 HB1 PRO 332 11.657 -5.862 5.580 163 HG2 PRO 332 HG2 PRO 332 10.946 -6.110 3.037 164 HG3 PRO 332 HG1 PRO 332 10.160 -7.104 4.289 165 HD2 PRO 332 HD2 PRO 332 9.121 -4.614 2.936 166 HD3 PRO 332 HD1 PRO 332 8.279 -6.144 3.284 167 H TYR 333 HN TYR 333 9.074 -2.633 4.744 168 HA TYR 333 HA TYR 333 10.532 -0.640 6.152 169 HB2 TYR 333 HB2 TYR 333 8.058 -0.440 4.383 170 HB3 TYR 333 HB1 TYR 333 8.999 0.942 4.924 171 HD1 TYR 333 HD1 TYR 333 11.102 1.511 3.852 172 HD2 TYR 333 HD2 TYR 333 9.030 -2.042 2.692 173 HE1 TYR 333 HE1 TYR 333 12.567 1.295 1.894 174 HE2 TYR 333 HE2 TYR 333 10.500 -2.257 0.729 175 HH TYR 333 HH TYR 333 13.364 -0.430 0.365 176 H GLY 334 HN GLY 334 7.559 -2.297 6.799 177 HA2 GLY 334 HA2 GLY 334 6.224 -2.342 8.661 178 HA3 GLY 334 HA1 GLY 334 7.296 -1.169 9.412 179 H LEU 335 HN LEU 335 6.112 0.498 10.083 180 HA LEU 335 HA LEU 335 3.693 1.412 8.838 181 HB2 LEU 335 HB2 LEU 335 4.120 1.632 11.284 182 HB3 LEU 335 HB1 LEU 335 5.425 2.759 10.956 183 HG LEU 335 HG LEU 335 3.761 4.380 10.009 184 HD11 LEU 335 HD11 LEU 335 2.035 2.812 9.263 185 HD12 LEU 335 HD12 LEU 335 1.361 4.031 10.340 186 HD13 LEU 335 HD13 LEU 335 1.663 2.400 10.940 187 HD21 LEU 335 HD21 LEU 335 2.754 5.039 12.158 188 HD22 LEU 335 HD22 LEU 335 4.443 4.575 12.347 189 HD23 LEU 335 HD23 LEU 335 3.166 3.460 12.837 190 H ARG 336 HN ARG 336 7.068 2.135 8.489 191 HA ARG 336 HA ARG 336 6.785 4.739 7.258 192 HB2 ARG 336 HB2 ARG 336 9.131 2.893 7.785 193 HB3 ARG 336 HB1 ARG 336 9.327 4.258 6.697 194 HG2 ARG 336 HG2 ARG 336 10.128 4.795 8.946 195 HG3 ARG 336 HG1 ARG 336 8.771 5.826 8.494 196 HD2 ARG 336 HD2 ARG 336 7.264 4.452 9.882 197 HD3 ARG 336 HD1 ARG 336 8.609 3.389 10.297 198 HE ARG 336 HE ARG 336 9.650 5.393 11.375 199 HH11 ARG 336 HH11 ARG 336 6.145 5.223 11.049 200 HH12 ARG 336 HH12 ARG 336 5.851 6.258 12.410 201 HH21 ARG 336 HH21 ARG 336 7.624 7.104 13.615 202 HH22 ARG 336 HH22 ARG 336 9.252 6.711 13.160 203 H CYS 337 HN CYS 337 5.964 1.803 6.047 204 HA CYS 337 HA CYS 337 7.029 1.806 3.433 205 HB2 CYS 337 HB2 CYS 337 5.913 -0.155 4.362 206 HB3 CYS 337 HB1 CYS 337 4.395 0.721 4.498 207 H GLU 338 HN GLU 338 6.814 3.374 1.994 208 HA GLU 338 HA GLU 338 4.702 5.336 1.966 209 HB2 GLU 338 HB2 GLU 338 5.821 6.120 -0.155 210 HB3 GLU 338 HB1 GLU 338 6.908 6.025 1.228 211 HG2 GLU 338 HG2 GLU 338 7.902 3.987 0.411 212 HG3 GLU 338 HG1 GLU 338 6.677 3.828 -0.844 213 H PHE 339 HN PHE 339 5.407 2.382 0.257 214 HA PHE 339 HA PHE 339 3.732 2.614 -1.977 215 HB2 PHE 339 HB2 PHE 339 4.589 0.096 -0.485 216 HB3 PHE 339 HB1 PHE 339 3.956 0.143 -2.123 217 HD1 PHE 339 HD1 PHE 339 5.386 0.876 -3.994 218 HD2 PHE 339 HD2 PHE 339 6.904 0.830 0.007 219 HE1 PHE 339 HE1 PHE 339 7.680 1.110 -4.852 220 HE2 PHE 339 HE2 PHE 339 9.192 1.071 -0.862 221 HZ PHE 339 HZ PHE 339 9.584 1.214 -3.291 222 H VAL 340 HN VAL 340 1.600 2.969 -1.886 223 HA VAL 340 HA VAL 340 0.017 2.665 0.434 224 HB VAL 340 HB VAL 340 -0.845 3.226 -2.429 225 HG11 VAL 340 HG11 VAL 340 -2.496 3.476 0.115 226 HG12 VAL 340 HG12 VAL 340 -2.764 2.329 -1.200 227 HG13 VAL 340 HG13 VAL 340 -2.983 4.056 -1.483 228 HG21 VAL 340 HG21 VAL 340 0.622 4.959 -1.512 229 HG22 VAL 340 HG22 VAL 340 -0.408 5.112 -0.086 230 HG23 VAL 340 HG23 VAL 340 -1.024 5.576 -1.675 231 H HIS 341 HN HIS 341 -0.841 0.930 1.210 232 HA HIS 341 HA HIS 341 -0.860 -1.613 -0.053 233 HB2 HIS 341 HB2 HIS 341 -2.274 -0.729 2.510 234 HB3 HIS 341 HB1 HIS 341 -1.880 -2.387 2.062 235 HD1 HIS 341 HD1 HIS 341 -0.733 -0.364 4.546 236 HD2 HIS 341 HD2 HIS 341 1.216 -1.981 1.259 237 HE1 HIS 341 HE1 HIS 341 1.746 -0.319 5.095 238 HA PRO 342 HA PRO 342 -4.763 -1.502 -2.267 239 HB2 PRO 342 HB2 PRO 342 -5.718 -4.101 -1.838 240 HB3 PRO 342 HB1 PRO 342 -4.485 -3.664 -3.035 241 HG2 PRO 342 HG2 PRO 342 -4.112 -4.788 -0.283 242 HG3 PRO 342 HG1 PRO 342 -3.273 -5.206 -1.796 243 HD2 PRO 342 HD2 PRO 342 -2.103 -3.626 0.029 244 HD3 PRO 342 HD1 PRO 342 -1.889 -3.319 -1.711 245 H THR 343 HN THR 343 -4.741 -2.602 1.042 246 HA THR 343 HA THR 343 -7.589 -2.164 1.518 247 HB THR 343 HB THR 343 -6.469 -4.072 2.603 248 HG1 THR 343 HG1 THR 343 -8.062 -2.403 3.787 249 HG21 THR 343 HG21 THR 343 -4.800 -3.764 4.376 250 HG22 THR 343 HG22 THR 343 -4.809 -2.021 4.100 251 HG23 THR 343 HG23 THR 343 -4.210 -3.109 2.845 252 H ASP 344 HN ASP 344 -4.729 -0.287 1.590 253 HA ASP 344 HA ASP 344 -5.551 1.547 3.704 254 HB2 ASP 344 HB2 ASP 344 -3.200 0.956 3.620 255 HB3 ASP 344 HB1 ASP 344 -3.079 1.432 1.933 256 H LYS 345 HN LYS 345 -5.893 3.753 3.415 257 HA LYS 345 HA LYS 345 -6.269 4.878 0.762 258 HB2 LYS 345 HB2 LYS 345 -8.673 5.596 1.374 259 HB3 LYS 345 HB1 LYS 345 -8.431 3.915 0.929 260 HG2 LYS 345 HG2 LYS 345 -9.923 3.856 2.756 261 HG3 LYS 345 HG1 LYS 345 -8.362 3.376 3.419 262 HD2 LYS 345 HD2 LYS 345 -8.071 5.724 4.274 263 HD3 LYS 345 HD1 LYS 345 -9.698 6.100 3.699 264 HE2 LYS 345 HE2 LYS 345 -8.972 4.025 5.797 265 HE3 LYS 345 HE1 LYS 345 -9.698 5.598 6.112 266 HZ1 LYS 345 HZ1 LYS 345 -10.944 3.321 4.668 267 HZ2 LYS 345 HZ2 LYS 345 -11.646 4.848 4.811 268 HZ3 LYS 345 HZ3 LYS 345 -11.375 3.916 6.191 269 H GLU 346 HN GLU 346 -5.058 5.212 3.759 270 HA GLU 346 HA GLU 346 -5.451 8.144 3.871 271 HB2 GLU 346 HB2 GLU 346 -5.470 7.884 6.426 272 HB3 GLU 346 HB1 GLU 346 -6.917 7.364 5.569 273 HG2 GLU 346 HG2 GLU 346 -6.249 5.019 5.776 274 HG3 GLU 346 HG1 GLU 346 -4.738 5.490 6.548 Start of MODEL 11 1 H1 ASN 312 HT1 ASN 312 1.438 9.103 -14.965 2 H2 ASN 312 HT2 ASN 312 2.691 8.030 -14.595 3 H3 ASN 312 HT3 ASN 312 2.277 9.254 -13.510 4 HA ASN 312 HA ASN 312 0.490 7.038 -14.302 5 HB2 ASN 312 HB2 ASN 312 2.129 7.418 -11.758 6 HB3 ASN 312 HB1 ASN 312 0.899 6.176 -11.982 7 HD21 ASN 312 HD21 ASN 312 2.294 4.479 -11.712 8 HD22 ASN 312 HD22 ASN 312 3.536 4.065 -12.843 9 H ASN 313 HN ASN 313 -1.592 7.545 -13.931 10 HA ASN 313 HA ASN 313 -2.469 9.917 -12.589 11 HB2 ASN 313 HB2 ASN 313 -3.745 8.802 -14.448 12 HB3 ASN 313 HB1 ASN 313 -4.090 7.447 -13.380 13 HD21 ASN 313 HD21 ASN 313 -4.716 10.852 -13.979 14 HD22 ASN 313 HD22 ASN 313 -6.141 10.958 -13.008 15 H LYS 314 HN LYS 314 -2.305 6.494 -11.711 16 HA LYS 314 HA LYS 314 -3.206 6.921 -8.952 17 HB2 LYS 314 HB2 LYS 314 -2.271 4.412 -10.418 18 HB3 LYS 314 HB1 LYS 314 -2.904 4.433 -8.777 19 HG2 LYS 314 HG2 LYS 314 -5.091 5.215 -9.643 20 HG3 LYS 314 HG1 LYS 314 -4.442 5.176 -11.283 21 HD2 LYS 314 HD2 LYS 314 -5.686 3.159 -11.044 22 HD3 LYS 314 HD1 LYS 314 -3.995 2.683 -10.928 23 HE2 LYS 314 HE2 LYS 314 -5.878 3.053 -8.564 24 HE3 LYS 314 HE1 LYS 314 -5.449 1.507 -9.284 25 HZ1 LYS 314 HZ1 LYS 314 -3.104 2.015 -8.665 26 HZ2 LYS 314 HZ2 LYS 314 -4.141 1.807 -7.352 27 HZ3 LYS 314 HZ3 LYS 314 -3.667 3.359 -7.810 28 H TYR 315 HN TYR 315 -0.815 8.315 -9.661 29 HA TYR 315 HA TYR 315 1.629 7.076 -9.430 30 HB2 TYR 315 HB2 TYR 315 2.569 9.320 -8.863 31 HB3 TYR 315 HB1 TYR 315 1.454 9.363 -10.216 32 HD1 TYR 315 HD1 TYR 315 2.130 10.634 -6.851 33 HD2 TYR 315 HD2 TYR 315 -0.864 10.356 -9.897 34 HE1 TYR 315 HE1 TYR 315 0.856 12.445 -5.777 35 HE2 TYR 315 HE2 TYR 315 -2.126 12.167 -8.812 36 HH TYR 315 HH TYR 315 -0.808 14.151 -6.410 37 H LYS 316 HN LYS 316 -0.263 8.480 -6.777 38 HA LYS 316 HA LYS 316 1.639 7.912 -4.739 39 HB2 LYS 316 HB2 LYS 316 -0.046 8.618 -3.124 40 HB3 LYS 316 HB1 LYS 316 -0.020 9.738 -4.471 41 HG2 LYS 316 HG2 LYS 316 -2.100 7.550 -4.145 42 HG3 LYS 316 HG1 LYS 316 -2.307 9.194 -3.540 43 HD2 LYS 316 HD2 LYS 316 -2.227 10.088 -5.816 44 HD3 LYS 316 HD1 LYS 316 -1.853 8.488 -6.468 45 HE2 LYS 316 HE2 LYS 316 -4.220 9.077 -6.826 46 HE3 LYS 316 HE1 LYS 316 -4.070 7.672 -5.773 47 HZ1 LYS 316 HZ1 LYS 316 -4.438 9.133 -3.877 48 HZ2 LYS 316 HZ2 LYS 316 -5.728 9.192 -4.962 49 HZ3 LYS 316 HZ3 LYS 316 -4.612 10.459 -4.909 50 H THR 317 HN THR 317 -1.321 6.239 -5.829 51 HA THR 317 HA THR 317 -1.216 4.241 -3.733 52 HB THR 317 HB THR 317 -3.205 3.245 -5.006 53 HG1 THR 317 HG1 THR 317 -2.313 4.683 -6.953 54 HG21 THR 317 HG21 THR 317 -3.434 6.177 -4.235 55 HG22 THR 317 HG22 THR 317 -3.565 4.810 -3.125 56 HG23 THR 317 HG23 THR 317 -4.776 5.041 -4.389 57 H LYS 318 HN LYS 318 0.813 3.257 -4.106 58 HA LYS 318 HA LYS 318 1.074 1.510 -6.481 59 HB2 LYS 318 HB2 LYS 318 3.143 2.136 -4.319 60 HB3 LYS 318 HB1 LYS 318 3.419 1.202 -5.786 61 HG2 LYS 318 HG2 LYS 318 3.022 3.239 -7.142 62 HG3 LYS 318 HG1 LYS 318 2.777 4.164 -5.652 63 HD2 LYS 318 HD2 LYS 318 5.118 3.514 -4.945 64 HD3 LYS 318 HD1 LYS 318 5.340 2.763 -6.528 65 HE2 LYS 318 HE2 LYS 318 6.346 4.975 -6.513 66 HE3 LYS 318 HE1 LYS 318 4.955 4.981 -7.597 67 HZ1 LYS 318 HZ1 LYS 318 5.029 6.950 -6.196 68 HZ2 LYS 318 HZ2 LYS 318 4.959 5.994 -4.802 69 HZ3 LYS 318 HZ3 LYS 318 3.653 6.030 -5.870 70 H LEU 319 HN LEU 319 0.072 -0.433 -6.105 71 HA LEU 319 HA LEU 319 -0.360 -1.698 -3.641 72 HB2 LEU 319 HB2 LEU 319 -1.601 -2.415 -5.593 73 HB3 LEU 319 HB1 LEU 319 -0.128 -2.835 -6.451 74 HG LEU 319 HG LEU 319 0.249 -4.739 -4.907 75 HD11 LEU 319 HD11 LEU 319 -1.473 -5.463 -3.309 76 HD12 LEU 319 HD12 LEU 319 -2.392 -3.988 -3.621 77 HD13 LEU 319 HD13 LEU 319 -0.794 -3.896 -2.875 78 HD21 LEU 319 HD21 LEU 319 -1.570 -6.198 -5.705 79 HD22 LEU 319 HD22 LEU 319 -0.980 -5.145 -6.989 80 HD23 LEU 319 HD23 LEU 319 -2.507 -4.779 -6.186 81 H CYS 320 HN CYS 320 0.972 -2.695 -2.275 82 HA CYS 320 HA CYS 320 3.768 -2.762 -2.607 83 HB2 CYS 320 HB2 CYS 320 2.025 -4.149 -0.536 84 HB3 CYS 320 HB1 CYS 320 3.776 -3.968 -0.426 85 H LYS 321 HN LYS 321 5.002 -4.189 -3.597 86 HA LYS 321 HA LYS 321 4.280 -6.731 -4.611 87 HB2 LYS 321 HB2 LYS 321 6.749 -7.016 -4.957 88 HB3 LYS 321 HB1 LYS 321 6.131 -5.488 -5.576 89 HG2 LYS 321 HG2 LYS 321 6.975 -4.338 -3.530 90 HG3 LYS 321 HG1 LYS 321 7.657 -5.870 -2.973 91 HD2 LYS 321 HD2 LYS 321 9.148 -5.940 -4.946 92 HD3 LYS 321 HD1 LYS 321 8.434 -4.443 -5.554 93 HE2 LYS 321 HE2 LYS 321 10.595 -4.003 -4.484 94 HE3 LYS 321 HE1 LYS 321 9.296 -3.235 -3.568 95 HZ1 LYS 321 HZ1 LYS 321 10.647 -5.792 -2.893 96 HZ2 LYS 321 HZ2 LYS 321 9.363 -5.115 -2.030 97 HZ3 LYS 321 HZ3 LYS 321 10.847 -4.312 -2.100 98 H ASN 322 HN ASN 322 5.221 -5.648 -1.514 99 HA ASN 322 HA ASN 322 6.119 -8.046 -0.272 100 HB2 ASN 322 HB2 ASN 322 4.668 -5.726 1.085 101 HB3 ASN 322 HB1 ASN 322 5.851 -6.815 1.800 102 HD21 ASN 322 HD21 ASN 322 8.040 -6.476 1.376 103 HD22 ASN 322 HD22 ASN 322 8.637 -5.003 0.706 104 H PHE 323 HN PHE 323 2.987 -6.412 -0.588 105 HA PHE 323 HA PHE 323 1.468 -8.403 0.888 106 HB2 PHE 323 HB2 PHE 323 0.781 -5.772 -0.470 107 HB3 PHE 323 HB1 PHE 323 -0.504 -6.881 -0.008 108 HD1 PHE 323 HD1 PHE 323 2.647 -5.997 1.855 109 HD2 PHE 323 HD2 PHE 323 -1.624 -5.791 1.756 110 HE1 PHE 323 HE1 PHE 323 2.631 -5.052 4.129 111 HE2 PHE 323 HE2 PHE 323 -1.626 -4.846 4.028 112 HZ PHE 323 HZ PHE 323 0.496 -4.478 5.218 113 H ALA 324 HN ALA 324 2.503 -7.984 -2.334 114 HA ALA 324 HA ALA 324 0.431 -9.405 -3.705 115 HB1 ALA 324 HB1 ALA 324 3.330 -8.932 -4.489 116 HB2 ALA 324 HB2 ALA 324 1.965 -7.887 -4.890 117 HB3 ALA 324 HB3 ALA 324 2.056 -9.517 -5.564 118 H ARG 325 HN ARG 325 0.046 -11.558 -3.639 119 HA ARG 325 HA ARG 325 1.403 -13.174 -1.750 120 HB2 ARG 325 HB2 ARG 325 -1.023 -13.461 -3.430 121 HB3 ARG 325 HB1 ARG 325 -0.218 -14.989 -3.103 122 HG2 ARG 325 HG2 ARG 325 -1.985 -14.491 -1.438 123 HG3 ARG 325 HG1 ARG 325 -0.388 -14.633 -0.704 124 HD2 ARG 325 HD2 ARG 325 -0.256 -12.084 -0.806 125 HD3 ARG 325 HD1 ARG 325 -1.970 -12.109 -1.231 126 HE ARG 325 HE ARG 325 -1.729 -13.624 1.068 127 HH11 ARG 325 HH11 ARG 325 -1.424 -9.683 1.779 128 HH12 ARG 325 HH12 ARG 325 -1.127 -10.277 0.177 129 HH21 ARG 325 HH21 ARG 325 -1.950 -11.111 3.461 130 HH22 ARG 325 HH22 ARG 325 -2.058 -12.818 3.170 131 H GLY 326 HN GLY 326 2.415 -15.181 -1.991 132 HA2 GLY 326 HA2 GLY 326 3.916 -16.628 -3.172 133 HA3 GLY 326 HA1 GLY 326 4.144 -15.381 -4.392 134 H GLY 327 HN GLY 327 4.028 -13.939 -1.385 135 HA2 GLY 327 HA2 GLY 327 6.942 -14.116 -0.869 136 HA3 GLY 327 HA1 GLY 327 6.141 -12.554 -1.024 137 H THR 328 HN THR 328 6.594 -11.897 1.080 138 HA THR 328 HA THR 328 6.085 -13.526 3.397 139 HB THR 328 HB THR 328 6.669 -11.430 4.668 140 HG1 THR 328 HG1 THR 328 7.158 -9.567 3.523 141 HG21 THR 328 HG21 THR 328 8.482 -12.954 3.955 142 HG22 THR 328 HG22 THR 328 9.012 -11.273 3.906 143 HG23 THR 328 HG23 THR 328 8.594 -12.106 2.410 144 H GLY 329 HN GLY 329 4.363 -10.964 1.694 145 HA2 GLY 329 HA2 GLY 329 2.163 -10.240 1.871 146 HA3 GLY 329 HA1 GLY 329 1.929 -11.265 3.281 147 H PHE 330 HN PHE 330 4.728 -9.734 3.923 148 HA PHE 330 HA PHE 330 3.438 -7.542 5.431 149 HB2 PHE 330 HB2 PHE 330 4.224 -9.376 6.893 150 HB3 PHE 330 HB1 PHE 330 5.842 -9.262 6.210 151 HD1 PHE 330 HD1 PHE 330 7.431 -8.034 7.461 152 HD2 PHE 330 HD2 PHE 330 3.287 -7.064 7.889 153 HE1 PHE 330 HE1 PHE 330 7.992 -6.353 9.174 154 HE2 PHE 330 HE2 PHE 330 3.862 -5.402 9.602 155 HZ PHE 330 HZ PHE 330 6.208 -5.037 10.246 156 H CYS 331 HN CYS 331 4.199 -5.516 5.037 157 HA CYS 331 HA CYS 331 6.569 -5.046 3.426 158 HB2 CYS 331 HB2 CYS 331 4.652 -3.121 4.804 159 HB3 CYS 331 HB1 CYS 331 6.013 -2.613 3.798 160 HA PRO 332 HA PRO 332 9.199 -5.210 7.114 161 HB2 PRO 332 HB2 PRO 332 11.502 -4.157 5.997 162 HB3 PRO 332 HB1 PRO 332 10.962 -5.822 5.715 163 HG2 PRO 332 HG2 PRO 332 10.584 -3.405 3.976 164 HG3 PRO 332 HG1 PRO 332 11.097 -5.049 3.522 165 HD2 PRO 332 HD2 PRO 332 8.563 -4.249 3.147 166 HD3 PRO 332 HD1 PRO 332 8.932 -5.913 3.653 167 H TYR 333 HN TYR 333 8.574 -2.305 5.285 168 HA TYR 333 HA TYR 333 9.567 -0.378 7.178 169 HB2 TYR 333 HB2 TYR 333 7.511 -0.012 4.961 170 HB3 TYR 333 HB1 TYR 333 8.396 1.270 5.775 171 HD1 TYR 333 HD1 TYR 333 8.654 -1.482 3.301 172 HD2 TYR 333 HD2 TYR 333 10.679 1.817 5.115 173 HE1 TYR 333 HE1 TYR 333 10.382 -1.573 1.556 174 HE2 TYR 333 HE2 TYR 333 12.402 1.714 3.370 175 HH TYR 333 HH TYR 333 12.031 0.048 0.520 176 H GLY 334 HN GLY 334 6.600 -2.138 6.719 177 HA2 GLY 334 HA2 GLY 334 4.725 -2.410 7.990 178 HA3 GLY 334 HA1 GLY 334 5.473 -1.434 9.247 179 H LEU 335 HN LEU 335 4.392 0.374 9.696 180 HA LEU 335 HA LEU 335 2.336 1.501 8.046 181 HB2 LEU 335 HB2 LEU 335 2.344 1.528 10.563 182 HB3 LEU 335 HB1 LEU 335 3.697 2.644 10.524 183 HG LEU 335 HG LEU 335 2.241 4.342 9.406 184 HD11 LEU 335 HD11 LEU 335 -0.001 2.342 9.820 185 HD12 LEU 335 HD12 LEU 335 0.649 2.892 8.274 186 HD13 LEU 335 HD13 LEU 335 -0.201 4.024 9.320 187 HD21 LEU 335 HD21 LEU 335 0.900 4.946 11.376 188 HD22 LEU 335 HD22 LEU 335 2.505 4.402 11.855 189 HD23 LEU 335 HD23 LEU 335 1.118 3.325 12.046 190 H ARG 336 HN ARG 336 5.744 1.939 8.315 191 HA ARG 336 HA ARG 336 5.838 4.635 7.170 192 HB2 ARG 336 HB2 ARG 336 8.142 2.748 7.853 193 HB3 ARG 336 HB1 ARG 336 8.234 4.491 7.595 194 HG2 ARG 336 HG2 ARG 336 6.915 4.876 9.639 195 HG3 ARG 336 HG1 ARG 336 6.779 3.135 9.887 196 HD2 ARG 336 HD2 ARG 336 9.245 3.000 10.123 197 HD3 ARG 336 HD1 ARG 336 9.342 4.758 9.928 198 HE ARG 336 HE ARG 336 7.544 4.151 12.018 199 HH11 ARG 336 HH11 ARG 336 11.422 4.251 13.069 200 HH12 ARG 336 HH12 ARG 336 11.014 4.063 11.395 201 HH21 ARG 336 HH21 ARG 336 9.797 4.419 14.644 202 HH22 ARG 336 HH22 ARG 336 8.121 4.357 14.205 203 H CYS 337 HN CYS 337 4.848 2.170 5.673 204 HA CYS 337 HA CYS 337 6.755 1.276 3.800 205 HB2 CYS 337 HB2 CYS 337 4.720 -0.007 4.418 206 HB3 CYS 337 HB1 CYS 337 3.724 1.190 3.598 207 H GLU 338 HN GLU 338 7.363 1.995 1.866 208 HA GLU 338 HA GLU 338 6.761 4.592 0.889 209 HB2 GLU 338 HB2 GLU 338 7.993 2.224 -0.591 210 HB3 GLU 338 HB1 GLU 338 8.091 3.914 -1.084 211 HG2 GLU 338 HG2 GLU 338 9.409 4.428 0.929 212 HG3 GLU 338 HG1 GLU 338 9.303 2.742 1.437 213 H PHE 339 HN PHE 339 5.715 1.337 -0.016 214 HA PHE 339 HA PHE 339 3.978 2.237 -2.174 215 HB2 PHE 339 HB2 PHE 339 4.249 -0.577 -1.030 216 HB3 PHE 339 HB1 PHE 339 3.621 -0.120 -2.609 217 HD1 PHE 339 HD1 PHE 339 5.377 1.254 -4.120 218 HD2 PHE 339 HD2 PHE 339 6.429 -1.408 -0.939 219 HE1 PHE 339 HE1 PHE 339 7.611 0.948 -5.104 220 HE2 PHE 339 HE2 PHE 339 8.658 -1.707 -1.934 221 HZ PHE 339 HZ PHE 339 9.248 -0.533 -4.016 222 H VAL 340 HN VAL 340 1.757 2.258 -2.102 223 HA VAL 340 HA VAL 340 0.493 2.489 0.483 224 HB VAL 340 HB VAL 340 -0.600 2.866 -2.334 225 HG11 VAL 340 HG11 VAL 340 -2.609 3.901 -1.307 226 HG12 VAL 340 HG12 VAL 340 -2.026 3.439 0.296 227 HG13 VAL 340 HG13 VAL 340 -2.467 2.196 -0.876 228 HG21 VAL 340 HG21 VAL 340 1.065 4.542 -1.645 229 HG22 VAL 340 HG22 VAL 340 0.137 4.885 -0.182 230 HG23 VAL 340 HG23 VAL 340 -0.539 5.273 -1.767 231 H HIS 341 HN HIS 341 -0.792 1.087 1.464 232 HA HIS 341 HA HIS 341 -1.150 -1.609 0.439 233 HB2 HIS 341 HB2 HIS 341 -2.156 -0.363 3.040 234 HB3 HIS 341 HB1 HIS 341 -2.075 -2.085 2.674 235 HD1 HIS 341 HD1 HIS 341 -0.510 -0.597 5.088 236 HD2 HIS 341 HD2 HIS 341 1.047 -1.866 1.456 237 HE1 HIS 341 HE1 HIS 341 1.990 -0.825 5.425 238 HA PRO 342 HA PRO 342 -5.212 -0.681 -1.354 239 HB2 PRO 342 HB2 PRO 342 -6.190 -3.263 -1.540 240 HB3 PRO 342 HB1 PRO 342 -4.970 -2.610 -2.651 241 HG2 PRO 342 HG2 PRO 342 -4.571 -4.329 -0.225 242 HG3 PRO 342 HG1 PRO 342 -3.848 -4.482 -1.844 243 HD2 PRO 342 HD2 PRO 342 -2.473 -3.366 0.176 244 HD3 PRO 342 HD1 PRO 342 -2.325 -2.749 -1.484 245 H THR 343 HN THR 343 -4.748 -2.363 1.653 246 HA THR 343 HA THR 343 -7.245 -1.193 2.728 247 HB THR 343 HB THR 343 -6.011 -3.858 3.607 248 HG1 THR 343 HG1 THR 343 -8.242 -3.287 1.927 249 HG21 THR 343 HG21 THR 343 -7.283 -2.740 5.421 250 HG22 THR 343 HG22 THR 343 -8.122 -4.189 4.861 251 HG23 THR 343 HG23 THR 343 -8.683 -2.595 4.353 252 H ASP 344 HN ASP 344 -5.392 0.493 2.765 253 HA ASP 344 HA ASP 344 -3.272 0.303 4.651 254 HB2 ASP 344 HB2 ASP 344 -3.126 1.892 2.799 255 HB3 ASP 344 HB1 ASP 344 -4.563 2.748 3.355 256 H LYS 345 HN LYS 345 -4.038 -0.354 6.615 257 HA LYS 345 HA LYS 345 -5.567 1.569 8.239 258 HB2 LYS 345 HB2 LYS 345 -6.164 -1.415 7.969 259 HB3 LYS 345 HB1 LYS 345 -6.776 -0.424 9.291 260 HG2 LYS 345 HG2 LYS 345 -7.957 1.012 7.629 261 HG3 LYS 345 HG1 LYS 345 -7.401 -0.067 6.343 262 HD2 LYS 345 HD2 LYS 345 -8.684 -1.920 7.269 263 HD3 LYS 345 HD1 LYS 345 -9.111 -0.972 8.697 264 HE2 LYS 345 HE2 LYS 345 -10.003 -0.406 5.849 265 HE3 LYS 345 HE1 LYS 345 -10.998 -1.082 7.140 266 HZ1 LYS 345 HZ1 LYS 345 -11.426 1.256 6.901 267 HZ2 LYS 345 HZ2 LYS 345 -9.792 1.628 7.090 268 HZ3 LYS 345 HZ3 LYS 345 -10.662 0.988 8.386 269 H GLU 346 HN GLU 346 -5.089 1.473 10.454 270 HA GLU 346 HA GLU 346 -3.268 -0.429 11.580 271 HB2 GLU 346 HB2 GLU 346 -1.698 1.087 10.308 272 HB3 GLU 346 HB1 GLU 346 -2.257 2.440 11.284 273 HG2 GLU 346 HG2 GLU 346 -0.106 1.583 12.088 274 HG3 GLU 346 HG1 GLU 346 -1.368 1.373 13.305 Start of MODEL 12 1 H1 ASN 312 HT1 ASN 312 -11.380 6.270 -11.153 2 H2 ASN 312 HT2 ASN 312 -9.804 6.682 -11.599 3 H3 ASN 312 HT3 ASN 312 -10.682 7.700 -10.584 4 HA ASN 312 HA ASN 312 -10.715 6.069 -8.863 5 HB2 ASN 312 HB2 ASN 312 -9.053 4.405 -10.818 6 HB3 ASN 312 HB1 ASN 312 -9.286 3.995 -9.119 7 HD21 ASN 312 HD21 ASN 312 -10.248 1.988 -9.761 8 HD22 ASN 312 HD22 ASN 312 -11.870 1.929 -10.353 9 H ASN 313 HN ASN 313 -9.508 7.185 -7.415 10 HA ASN 313 HA ASN 313 -6.960 8.388 -8.166 11 HB2 ASN 313 HB2 ASN 313 -8.682 9.634 -6.798 12 HB3 ASN 313 HB1 ASN 313 -8.409 8.500 -5.478 13 HD21 ASN 313 HD21 ASN 313 -7.567 9.912 -3.993 14 HD22 ASN 313 HD22 ASN 313 -6.105 10.803 -4.218 15 H LYS 314 HN LYS 314 -6.033 6.210 -8.523 16 HA LYS 314 HA LYS 314 -4.945 4.970 -6.049 17 HB2 LYS 314 HB2 LYS 314 -5.480 3.585 -8.721 18 HB3 LYS 314 HB1 LYS 314 -4.853 2.824 -7.260 19 HG2 LYS 314 HG2 LYS 314 -7.001 3.302 -6.107 20 HG3 LYS 314 HG1 LYS 314 -7.631 4.013 -7.597 21 HD2 LYS 314 HD2 LYS 314 -7.308 1.786 -8.730 22 HD3 LYS 314 HD1 LYS 314 -6.802 1.105 -7.182 23 HE2 LYS 314 HE2 LYS 314 -9.021 1.609 -6.230 24 HE3 LYS 314 HE1 LYS 314 -9.523 2.334 -7.759 25 HZ1 LYS 314 HZ1 LYS 314 -8.754 -0.508 -7.376 26 HZ2 LYS 314 HZ2 LYS 314 -9.278 0.184 -8.823 27 HZ3 LYS 314 HZ3 LYS 314 -10.332 0.070 -7.508 28 H TYR 315 HN TYR 315 -3.947 7.240 -7.647 29 HA TYR 315 HA TYR 315 -1.784 6.396 -9.334 30 HB2 TYR 315 HB2 TYR 315 -2.177 9.129 -8.026 31 HB3 TYR 315 HB1 TYR 315 -1.191 8.771 -9.438 32 HD1 TYR 315 HD1 TYR 315 -4.540 9.573 -8.248 33 HD2 TYR 315 HD2 TYR 315 -2.346 8.125 -11.624 34 HE1 TYR 315 HE1 TYR 315 -6.455 10.078 -9.707 35 HE2 TYR 315 HE2 TYR 315 -4.265 8.632 -13.074 36 HH TYR 315 HH TYR 315 -6.929 10.513 -12.037 37 H LYS 316 HN LYS 316 -2.033 7.694 -6.017 38 HA LYS 316 HA LYS 316 0.773 7.380 -5.406 39 HB2 LYS 316 HB2 LYS 316 -0.698 9.128 -4.350 40 HB3 LYS 316 HB1 LYS 316 -1.570 7.852 -3.509 41 HG2 LYS 316 HG2 LYS 316 0.560 7.221 -2.343 42 HG3 LYS 316 HG1 LYS 316 1.368 8.571 -3.141 43 HD2 LYS 316 HD2 LYS 316 -0.935 8.760 -1.164 44 HD3 LYS 316 HD1 LYS 316 0.754 9.147 -0.838 45 HE2 LYS 316 HE2 LYS 316 -1.114 10.638 -2.717 46 HE3 LYS 316 HE1 LYS 316 -0.484 11.207 -1.172 47 HZ1 LYS 316 HZ1 LYS 316 1.083 10.678 -3.630 48 HZ2 LYS 316 HZ2 LYS 316 1.757 11.074 -2.135 49 HZ3 LYS 316 HZ3 LYS 316 0.764 12.183 -2.931 50 H THR 317 HN THR 317 -2.090 5.399 -5.251 51 HA THR 317 HA THR 317 -1.066 3.511 -3.347 52 HB THR 317 HB THR 317 -3.402 3.137 -5.272 53 HG1 THR 317 HG1 THR 317 -3.910 3.731 -2.612 54 HG21 THR 317 HG21 THR 317 -2.776 1.753 -2.627 55 HG22 THR 317 HG22 THR 317 -2.606 1.016 -4.222 56 HG23 THR 317 HG23 THR 317 -4.204 1.476 -3.630 57 H LYS 318 HN LYS 318 1.031 3.241 -4.392 58 HA LYS 318 HA LYS 318 1.149 1.319 -6.581 59 HB2 LYS 318 HB2 LYS 318 3.300 2.347 -4.667 60 HB3 LYS 318 HB1 LYS 318 3.601 1.107 -5.876 61 HG2 LYS 318 HG2 LYS 318 4.430 3.130 -6.792 62 HG3 LYS 318 HG1 LYS 318 2.920 2.804 -7.644 63 HD2 LYS 318 HD2 LYS 318 1.754 4.472 -6.283 64 HD3 LYS 318 HD1 LYS 318 3.200 4.724 -5.303 65 HE2 LYS 318 HE2 LYS 318 2.967 6.544 -6.884 66 HE3 LYS 318 HE1 LYS 318 4.381 5.584 -7.304 67 HZ1 LYS 318 HZ1 LYS 318 3.041 6.239 -9.225 68 HZ2 LYS 318 HZ2 LYS 318 1.735 5.351 -8.632 69 HZ3 LYS 318 HZ3 LYS 318 3.163 4.561 -9.080 70 H LEU 319 HN LEU 319 0.188 -0.560 -6.060 71 HA LEU 319 HA LEU 319 -0.136 -1.650 -3.495 72 HB2 LEU 319 HB2 LEU 319 -1.578 -2.374 -5.287 73 HB3 LEU 319 HB1 LEU 319 -0.223 -2.939 -6.248 74 HG LEU 319 HG LEU 319 0.144 -4.820 -4.652 75 HD11 LEU 319 HD11 LEU 319 -0.608 -3.758 -2.587 76 HD12 LEU 319 HD12 LEU 319 -1.441 -5.290 -2.841 77 HD13 LEU 319 HD13 LEU 319 -2.274 -3.766 -3.168 78 HD21 LEU 319 HD21 LEU 319 -2.734 -4.639 -5.581 79 HD22 LEU 319 HD22 LEU 319 -1.871 -6.118 -5.147 80 HD23 LEU 319 HD23 LEU 319 -1.359 -5.181 -6.549 81 H CYS 320 HN CYS 320 1.271 -2.561 -2.217 82 HA CYS 320 HA CYS 320 3.977 -3.083 -2.798 83 HB2 CYS 320 HB2 CYS 320 2.261 -4.112 -0.502 84 HB3 CYS 320 HB1 CYS 320 4.027 -4.035 -0.533 85 H LYS 321 HN LYS 321 4.941 -4.865 -3.626 86 HA LYS 321 HA LYS 321 3.554 -7.038 -4.783 87 HB2 LYS 321 HB2 LYS 321 5.828 -8.012 -5.145 88 HB3 LYS 321 HB1 LYS 321 5.722 -6.330 -5.647 89 HG2 LYS 321 HG2 LYS 321 6.899 -5.598 -3.641 90 HG3 LYS 321 HG1 LYS 321 6.920 -7.246 -3.007 91 HD2 LYS 321 HD2 LYS 321 8.330 -6.298 -5.536 92 HD3 LYS 321 HD1 LYS 321 9.111 -6.609 -3.984 93 HE2 LYS 321 HE2 LYS 321 8.429 -9.007 -4.147 94 HE3 LYS 321 HE1 LYS 321 7.697 -8.677 -5.718 95 HZ1 LYS 321 HZ1 LYS 321 10.577 -8.383 -5.057 96 HZ2 LYS 321 HZ2 LYS 321 9.874 -8.070 -6.559 97 HZ3 LYS 321 HZ3 LYS 321 9.885 -9.641 -5.946 98 H ASN 322 HN ASN 322 4.866 -6.522 -1.616 99 HA ASN 322 HA ASN 322 4.803 -9.173 -0.571 100 HB2 ASN 322 HB2 ASN 322 4.627 -6.429 0.770 101 HB3 ASN 322 HB1 ASN 322 4.777 -7.933 1.676 102 HD21 ASN 322 HD21 ASN 322 6.746 -7.209 2.539 103 HD22 ASN 322 HD22 ASN 322 8.206 -7.229 1.626 104 H PHE 323 HN PHE 323 2.452 -6.508 -0.652 105 HA PHE 323 HA PHE 323 0.361 -7.969 0.724 106 HB2 PHE 323 HB2 PHE 323 0.548 -5.187 -0.481 107 HB3 PHE 323 HB1 PHE 323 -0.997 -5.828 0.070 108 HD1 PHE 323 HD1 PHE 323 2.541 -5.466 1.376 109 HD2 PHE 323 HD2 PHE 323 -1.647 -5.296 2.268 110 HE1 PHE 323 HE1 PHE 323 3.042 -4.761 3.682 111 HE2 PHE 323 HE2 PHE 323 -1.111 -4.597 4.559 112 HZ PHE 323 HZ PHE 323 1.218 -4.333 5.269 113 H ALA 324 HN ALA 324 1.445 -7.916 -2.491 114 HA ALA 324 HA ALA 324 -1.002 -8.495 -3.850 115 HB1 ALA 324 HB1 ALA 324 1.048 -7.879 -5.075 116 HB2 ALA 324 HB2 ALA 324 0.458 -9.451 -5.618 117 HB3 ALA 324 HB3 ALA 324 1.843 -9.358 -4.525 118 H ARG 325 HN ARG 325 -2.134 -10.409 -3.984 119 HA ARG 325 HA ARG 325 -2.106 -11.977 -1.684 120 HB2 ARG 325 HB2 ARG 325 -4.105 -11.484 -3.195 121 HB3 ARG 325 HB1 ARG 325 -3.529 -12.761 -4.268 122 HG2 ARG 325 HG2 ARG 325 -3.749 -14.394 -2.406 123 HG3 ARG 325 HG1 ARG 325 -4.342 -13.108 -1.352 124 HD2 ARG 325 HD2 ARG 325 -6.230 -12.774 -3.020 125 HD3 ARG 325 HD1 ARG 325 -5.690 -14.252 -3.819 126 HE ARG 325 HE ARG 325 -7.119 -14.002 -1.312 127 HH11 ARG 325 HH11 ARG 325 -5.205 -16.181 -3.304 128 HH12 ARG 325 HH12 ARG 325 -5.797 -17.603 -2.508 129 HH21 ARG 325 HH21 ARG 325 -7.289 -17.415 -0.785 130 HH22 ARG 325 HH22 ARG 325 -7.834 -15.855 -0.263 131 H GLY 326 HN GLY 326 -1.151 -13.837 -1.103 132 HA2 GLY 326 HA2 GLY 326 -0.193 -15.987 -1.389 133 HA3 GLY 326 HA1 GLY 326 0.128 -15.627 -3.078 134 H GLY 327 HN GLY 327 1.009 -12.924 -1.324 135 HA2 GLY 327 HA2 GLY 327 3.880 -13.525 -1.505 136 HA3 GLY 327 HA1 GLY 327 3.136 -11.970 -1.162 137 H THR 328 HN THR 328 4.496 -11.566 0.616 138 HA THR 328 HA THR 328 4.424 -13.299 2.956 139 HB THR 328 HB THR 328 5.798 -11.499 4.022 140 HG1 THR 328 HG1 THR 328 6.295 -9.646 2.890 141 HG21 THR 328 HG21 THR 328 6.995 -13.216 2.709 142 HG22 THR 328 HG22 THR 328 7.795 -11.647 2.567 143 HG23 THR 328 HG23 THR 328 6.789 -12.247 1.247 144 H GLY 329 HN GLY 329 3.118 -10.198 1.882 145 HA2 GLY 329 HA2 GLY 329 1.100 -9.184 2.415 146 HA3 GLY 329 HA1 GLY 329 0.860 -10.331 3.722 147 H PHE 330 HN PHE 330 3.869 -9.418 4.317 148 HA PHE 330 HA PHE 330 3.197 -7.003 5.890 149 HB2 PHE 330 HB2 PHE 330 3.729 -8.970 7.313 150 HB3 PHE 330 HB1 PHE 330 5.249 -9.201 6.460 151 HD1 PHE 330 HD1 PHE 330 3.398 -6.726 8.581 152 HD2 PHE 330 HD2 PHE 330 7.233 -8.128 7.278 153 HE1 PHE 330 HE1 PHE 330 4.505 -5.229 10.193 154 HE2 PHE 330 HE2 PHE 330 8.322 -6.622 8.891 155 HZ PHE 330 HZ PHE 330 6.964 -5.177 10.348 156 H CYS 331 HN CYS 331 4.165 -5.202 5.039 157 HA CYS 331 HA CYS 331 6.561 -5.330 3.422 158 HB2 CYS 331 HB2 CYS 331 4.957 -3.022 4.569 159 HB3 CYS 331 HB1 CYS 331 6.449 -2.774 3.651 160 HA PRO 332 HA PRO 332 9.425 -5.539 6.945 161 HB2 PRO 332 HB2 PRO 332 11.303 -4.161 5.021 162 HB3 PRO 332 HB1 PRO 332 11.549 -5.635 5.987 163 HG2 PRO 332 HG2 PRO 332 11.088 -5.864 3.389 164 HG3 PRO 332 HG1 PRO 332 10.298 -6.978 4.532 165 HD2 PRO 332 HD2 PRO 332 9.122 -4.570 3.138 166 HD3 PRO 332 HD1 PRO 332 8.406 -6.178 3.403 167 H TYR 333 HN TYR 333 8.791 -2.603 5.193 168 HA TYR 333 HA TYR 333 9.954 -0.727 6.998 169 HB2 TYR 333 HB2 TYR 333 7.656 -0.269 5.047 170 HB3 TYR 333 HB1 TYR 333 8.753 0.950 5.691 171 HD1 TYR 333 HD1 TYR 333 8.128 -1.251 2.925 172 HD2 TYR 333 HD2 TYR 333 11.296 0.648 5.089 173 HE1 TYR 333 HE1 TYR 333 9.638 -1.556 1.002 174 HE2 TYR 333 HE2 TYR 333 12.791 0.337 3.170 175 HH TYR 333 HH TYR 333 13.004 -1.100 1.190 176 H GLY 334 HN GLY 334 6.694 -2.098 6.558 177 HA2 GLY 334 HA2 GLY 334 5.030 -2.406 8.151 178 HA3 GLY 334 HA1 GLY 334 5.897 -1.368 9.276 179 H LEU 335 HN LEU 335 4.847 0.463 9.704 180 HA LEU 335 HA LEU 335 2.649 1.437 8.131 181 HB2 LEU 335 HB2 LEU 335 2.630 1.537 10.584 182 HB3 LEU 335 HB1 LEU 335 4.025 2.602 10.579 183 HG LEU 335 HG LEU 335 2.637 4.388 9.481 184 HD11 LEU 335 HD11 LEU 335 0.306 2.480 9.847 185 HD12 LEU 335 HD12 LEU 335 1.008 2.977 8.307 186 HD13 LEU 335 HD13 LEU 335 0.200 4.165 9.326 187 HD21 LEU 335 HD21 LEU 335 1.287 4.965 11.442 188 HD22 LEU 335 HD22 LEU 335 2.868 4.351 11.921 189 HD23 LEU 335 HD23 LEU 335 1.445 3.314 12.051 190 H ARG 336 HN ARG 336 6.036 2.233 8.449 191 HA ARG 336 HA ARG 336 5.863 4.756 7.009 192 HB2 ARG 336 HB2 ARG 336 8.317 4.818 7.280 193 HB3 ARG 336 HB1 ARG 336 7.511 4.485 8.808 194 HG2 ARG 336 HG2 ARG 336 8.003 2.032 8.428 195 HG3 ARG 336 HG1 ARG 336 8.995 2.512 7.051 196 HD2 ARG 336 HD2 ARG 336 10.498 3.749 8.521 197 HD3 ARG 336 HD1 ARG 336 9.450 3.437 9.911 198 HE ARG 336 HE ARG 336 10.909 1.324 8.423 199 HH11 ARG 336 HH11 ARG 336 10.331 1.314 12.403 200 HH12 ARG 336 HH12 ARG 336 9.695 2.617 11.450 201 HH21 ARG 336 HH21 ARG 336 11.726 -0.391 9.665 202 HH22 ARG 336 HH22 ARG 336 11.487 -0.400 11.385 203 H CYS 337 HN CYS 337 5.328 1.834 5.806 204 HA CYS 337 HA CYS 337 6.945 1.793 3.436 205 HB2 CYS 337 HB2 CYS 337 5.741 -0.216 4.192 206 HB3 CYS 337 HB1 CYS 337 4.196 0.613 4.017 207 H GLU 338 HN GLU 338 6.895 3.364 1.953 208 HA GLU 338 HA GLU 338 4.895 5.373 1.763 209 HB2 GLU 338 HB2 GLU 338 6.101 6.106 -0.289 210 HB3 GLU 338 HB1 GLU 338 7.181 5.868 1.080 211 HG2 GLU 338 HG2 GLU 338 8.054 3.842 0.178 212 HG3 GLU 338 HG1 GLU 338 6.776 3.736 -1.030 213 H PHE 339 HN PHE 339 5.487 2.353 0.086 214 HA PHE 339 HA PHE 339 3.647 2.606 -2.046 215 HB2 PHE 339 HB2 PHE 339 4.600 0.048 -0.670 216 HB3 PHE 339 HB1 PHE 339 3.891 0.159 -2.278 217 HD1 PHE 339 HD1 PHE 339 6.955 0.618 -0.286 218 HD2 PHE 339 HD2 PHE 339 5.206 1.132 -4.168 219 HE1 PHE 339 HE1 PHE 339 9.189 0.948 -1.259 220 HE2 PHE 339 HE2 PHE 339 7.455 1.462 -5.122 221 HZ PHE 339 HZ PHE 339 9.442 1.374 -3.668 222 H VAL 340 HN VAL 340 1.579 3.044 -1.679 223 HA VAL 340 HA VAL 340 0.302 2.723 0.825 224 HB VAL 340 HB VAL 340 -0.845 3.537 -1.866 225 HG11 VAL 340 HG11 VAL 340 -2.125 3.792 0.877 226 HG12 VAL 340 HG12 VAL 340 -2.674 2.744 -0.434 227 HG13 VAL 340 HG13 VAL 340 -2.755 4.497 -0.615 228 HG21 VAL 340 HG21 VAL 340 -0.694 5.845 -0.992 229 HG22 VAL 340 HG22 VAL 340 0.893 5.076 -1.053 230 HG23 VAL 340 HG23 VAL 340 0.049 5.234 0.490 231 H HIS 341 HN HIS 341 -0.933 1.188 1.583 232 HA HIS 341 HA HIS 341 -1.087 -1.354 0.226 233 HB2 HIS 341 HB2 HIS 341 -2.015 -0.528 3.018 234 HB3 HIS 341 HB1 HIS 341 -1.838 -2.186 2.445 235 HD1 HIS 341 HD1 HIS 341 -0.205 -0.479 4.811 236 HD2 HIS 341 HD2 HIS 341 1.150 -1.901 1.152 237 HE1 HIS 341 HE1 HIS 341 2.316 -0.639 5.011 238 HA PRO 342 HA PRO 342 -5.231 -0.900 -1.265 239 HB2 PRO 342 HB2 PRO 342 -6.043 -3.458 -1.603 240 HB3 PRO 342 HB1 PRO 342 -4.653 -2.815 -2.505 241 HG2 PRO 342 HG2 PRO 342 -4.645 -4.511 -0.020 242 HG3 PRO 342 HG1 PRO 342 -3.670 -4.685 -1.497 243 HD2 PRO 342 HD2 PRO 342 -2.724 -3.457 0.779 244 HD3 PRO 342 HD1 PRO 342 -2.151 -3.047 -0.854 245 H THR 343 HN THR 343 -4.707 -1.941 1.870 246 HA THR 343 HA THR 343 -7.506 -2.362 2.647 247 HB THR 343 HB THR 343 -6.382 -2.773 4.931 248 HG1 THR 343 HG1 THR 343 -4.447 -1.628 4.517 249 HG21 THR 343 HG21 THR 343 -5.460 -4.991 4.330 250 HG22 THR 343 HG22 THR 343 -5.441 -4.529 2.627 251 HG23 THR 343 HG23 THR 343 -6.978 -4.689 3.480 252 H ASP 344 HN ASP 344 -6.576 0.255 1.662 253 HA ASP 344 HA ASP 344 -6.298 2.214 3.647 254 HB2 ASP 344 HB2 ASP 344 -5.884 2.741 1.312 255 HB3 ASP 344 HB1 ASP 344 -7.522 2.296 0.855 256 H LYS 345 HN LYS 345 -7.648 2.757 5.219 257 HA LYS 345 HA LYS 345 -10.584 2.682 4.873 258 HB2 LYS 345 HB2 LYS 345 -9.103 1.626 7.334 259 HB3 LYS 345 HB1 LYS 345 -10.851 1.754 7.165 260 HG2 LYS 345 HG2 LYS 345 -10.843 0.048 5.415 261 HG3 LYS 345 HG1 LYS 345 -9.078 -0.032 5.474 262 HD2 LYS 345 HD2 LYS 345 -9.241 -0.783 7.861 263 HD3 LYS 345 HD1 LYS 345 -11.002 -0.816 7.700 264 HE2 LYS 345 HE2 LYS 345 -9.057 -2.456 6.042 265 HE3 LYS 345 HE1 LYS 345 -9.974 -3.065 7.420 266 HZ1 LYS 345 HZ1 LYS 345 -11.008 -3.636 5.311 267 HZ2 LYS 345 HZ2 LYS 345 -11.135 -2.005 4.902 268 HZ3 LYS 345 HZ3 LYS 345 -12.017 -2.614 6.206 269 H GLU 346 HN GLU 346 -11.614 3.912 6.832 270 HA GLU 346 HA GLU 346 -10.440 6.509 7.108 271 HB2 GLU 346 HB2 GLU 346 -12.889 6.186 7.048 272 HB3 GLU 346 HB1 GLU 346 -12.828 5.290 8.563 273 HG2 GLU 346 HG2 GLU 346 -11.900 7.390 9.655 274 HG3 GLU 346 HG1 GLU 346 -12.226 8.241 8.146 Start of MODEL 13 1 H1 ASN 312 HT1 ASN 312 -10.834 14.218 -6.574 2 H2 ASN 312 HT2 ASN 312 -11.138 12.709 -5.880 3 H3 ASN 312 HT3 ASN 312 -10.002 12.854 -7.118 4 HA ASN 312 HA ASN 312 -8.585 14.172 -5.738 5 HB2 ASN 312 HB2 ASN 312 -10.307 15.292 -4.400 6 HB3 ASN 312 HB1 ASN 312 -10.786 13.766 -3.671 7 HD21 ASN 312 HD21 ASN 312 -10.413 14.418 -1.571 8 HD22 ASN 312 HD22 ASN 312 -8.840 14.720 -0.931 9 H ASN 313 HN ASN 313 -6.930 12.880 -5.391 10 HA ASN 313 HA ASN 313 -5.549 11.288 -4.703 11 HB2 ASN 313 HB2 ASN 313 -6.268 11.827 -2.445 12 HB3 ASN 313 HB1 ASN 313 -7.689 10.800 -2.592 13 HD21 ASN 313 HD21 ASN 313 -7.022 9.690 -0.704 14 HD22 ASN 313 HD22 ASN 313 -5.767 8.513 -0.744 15 H LYS 314 HN LYS 314 -5.453 9.991 -6.472 16 HA LYS 314 HA LYS 314 -6.703 7.325 -6.111 17 HB2 LYS 314 HB2 LYS 314 -6.500 7.070 -8.673 18 HB3 LYS 314 HB1 LYS 314 -7.790 8.083 -8.063 19 HG2 LYS 314 HG2 LYS 314 -6.892 9.145 -10.001 20 HG3 LYS 314 HG1 LYS 314 -6.441 10.104 -8.601 21 HD2 LYS 314 HD2 LYS 314 -4.588 10.006 -10.180 22 HD3 LYS 314 HD1 LYS 314 -4.144 9.164 -8.696 23 HE2 LYS 314 HE2 LYS 314 -3.387 7.928 -10.689 24 HE3 LYS 314 HE1 LYS 314 -4.577 6.992 -9.787 25 HZ1 LYS 314 HZ1 LYS 314 -6.266 7.682 -11.377 26 HZ2 LYS 314 HZ2 LYS 314 -4.990 6.897 -12.157 27 HZ3 LYS 314 HZ3 LYS 314 -5.118 8.578 -12.238 28 H TYR 315 HN TYR 315 -3.906 9.065 -5.936 29 HA TYR 315 HA TYR 315 -2.066 7.444 -7.385 30 HB2 TYR 315 HB2 TYR 315 -0.342 8.814 -6.530 31 HB3 TYR 315 HB1 TYR 315 -1.724 9.895 -6.605 32 HD1 TYR 315 HD1 TYR 315 0.709 8.254 -4.406 33 HD2 TYR 315 HD2 TYR 315 -2.863 10.616 -4.449 34 HE1 TYR 315 HE1 TYR 315 1.056 8.801 -2.051 35 HE2 TYR 315 HE2 TYR 315 -2.504 11.177 -2.079 36 HH TYR 315 HH TYR 315 0.436 10.456 -0.429 37 H LYS 316 HN LYS 316 -3.606 7.094 -4.329 38 HA LYS 316 HA LYS 316 -1.609 5.542 -2.989 39 HB2 LYS 316 HB2 LYS 316 -4.507 6.197 -2.408 40 HB3 LYS 316 HB1 LYS 316 -3.599 5.077 -1.394 41 HG2 LYS 316 HG2 LYS 316 -1.877 6.923 -1.076 42 HG3 LYS 316 HG1 LYS 316 -3.028 8.017 -1.858 43 HD2 LYS 316 HD2 LYS 316 -4.679 7.570 -0.085 44 HD3 LYS 316 HD1 LYS 316 -3.590 6.398 0.667 45 HE2 LYS 316 HE2 LYS 316 -1.979 8.207 1.150 46 HE3 LYS 316 HE1 LYS 316 -3.046 9.376 0.367 47 HZ1 LYS 316 HZ1 LYS 316 -3.262 9.405 2.770 48 HZ2 LYS 316 HZ2 LYS 316 -3.722 7.781 2.777 49 HZ3 LYS 316 HZ3 LYS 316 -4.712 8.930 2.035 50 H THR 317 HN THR 317 -2.921 4.557 -5.681 51 HA THR 317 HA THR 317 -3.337 1.774 -4.887 52 HB THR 317 HB THR 317 -3.594 1.452 -7.405 53 HG1 THR 317 HG1 THR 317 -2.487 3.191 -8.222 54 HG21 THR 317 HG21 THR 317 -5.426 3.516 -6.125 55 HG22 THR 317 HG22 THR 317 -5.580 1.762 -5.976 56 HG23 THR 317 HG23 THR 317 -5.812 2.542 -7.544 57 H LYS 318 HN LYS 318 -0.780 3.116 -4.336 58 HA LYS 318 HA LYS 318 1.247 1.955 -6.037 59 HB2 LYS 318 HB2 LYS 318 1.502 2.996 -3.180 60 HB3 LYS 318 HB1 LYS 318 2.828 2.714 -4.303 61 HG2 LYS 318 HG2 LYS 318 2.171 4.592 -5.660 62 HG3 LYS 318 HG1 LYS 318 0.657 4.780 -4.774 63 HD2 LYS 318 HD2 LYS 318 2.260 6.491 -4.065 64 HD3 LYS 318 HD1 LYS 318 1.921 5.388 -2.728 65 HE2 LYS 318 HE2 LYS 318 4.298 5.802 -2.747 66 HE3 LYS 318 HE1 LYS 318 4.054 4.151 -3.317 67 HZ1 LYS 318 HZ1 LYS 318 4.650 6.548 -4.962 68 HZ2 LYS 318 HZ2 LYS 318 4.239 5.041 -5.609 69 HZ3 LYS 318 HZ3 LYS 318 5.649 5.214 -4.696 70 H LEU 319 HN LEU 319 -0.016 -0.204 -5.882 71 HA LEU 319 HA LEU 319 -0.394 -1.547 -3.434 72 HB2 LEU 319 HB2 LEU 319 -1.697 -1.888 -5.563 73 HB3 LEU 319 HB1 LEU 319 -0.328 -2.756 -6.229 74 HG LEU 319 HG LEU 319 -1.619 -3.746 -3.662 75 HD11 LEU 319 HD11 LEU 319 -3.142 -5.176 -4.949 76 HD12 LEU 319 HD12 LEU 319 -2.618 -4.398 -6.447 77 HD13 LEU 319 HD13 LEU 319 -3.486 -3.467 -5.222 78 HD21 LEU 319 HD21 LEU 319 -0.867 -5.956 -4.445 79 HD22 LEU 319 HD22 LEU 319 0.481 -4.827 -4.356 80 HD23 LEU 319 HD23 LEU 319 -0.228 -5.225 -5.920 81 H CYS 320 HN CYS 320 1.157 -2.258 -2.185 82 HA CYS 320 HA CYS 320 3.826 -2.781 -2.868 83 HB2 CYS 320 HB2 CYS 320 2.284 -3.830 -0.452 84 HB3 CYS 320 HB1 CYS 320 4.041 -3.704 -0.598 85 H LYS 321 HN LYS 321 4.819 -4.554 -3.657 86 HA LYS 321 HA LYS 321 3.515 -6.816 -4.675 87 HB2 LYS 321 HB2 LYS 321 5.794 -7.804 -4.911 88 HB3 LYS 321 HB1 LYS 321 5.716 -6.145 -5.495 89 HG2 LYS 321 HG2 LYS 321 6.837 -5.329 -3.505 90 HG3 LYS 321 HG1 LYS 321 6.776 -6.930 -2.759 91 HD2 LYS 321 HD2 LYS 321 8.269 -7.792 -4.558 92 HD3 LYS 321 HD1 LYS 321 8.360 -6.164 -5.243 93 HE2 LYS 321 HE2 LYS 321 10.334 -6.699 -3.831 94 HE3 LYS 321 HE1 LYS 321 9.419 -5.329 -3.203 95 HZ1 LYS 321 HZ1 LYS 321 9.242 -8.121 -2.190 96 HZ2 LYS 321 HZ2 LYS 321 8.404 -6.791 -1.567 97 HZ3 LYS 321 HZ3 LYS 321 10.088 -6.861 -1.450 98 H ASN 322 HN ASN 322 4.779 -6.177 -1.478 99 HA ASN 322 HA ASN 322 4.781 -8.808 -0.422 100 HB2 ASN 322 HB2 ASN 322 4.398 -6.156 1.042 101 HB3 ASN 322 HB1 ASN 322 4.786 -7.693 1.808 102 HD21 ASN 322 HD21 ASN 322 6.789 -7.279 2.609 103 HD22 ASN 322 HD22 ASN 322 8.140 -6.763 1.675 104 H PHE 323 HN PHE 323 2.351 -6.216 -0.473 105 HA PHE 323 HA PHE 323 0.313 -7.772 0.884 106 HB2 PHE 323 HB2 PHE 323 0.422 -4.971 -0.263 107 HB3 PHE 323 HB1 PHE 323 -1.126 -5.677 0.187 108 HD1 PHE 323 HD1 PHE 323 2.299 -5.039 1.648 109 HD2 PHE 323 HD2 PHE 323 -1.912 -5.369 2.383 110 HE1 PHE 323 HE1 PHE 323 2.635 -4.334 3.982 111 HE2 PHE 323 HE2 PHE 323 -1.557 -4.658 4.711 112 HZ PHE 323 HZ PHE 323 0.717 -4.140 5.511 113 H ALA 324 HN ALA 324 1.450 -7.706 -2.284 114 HA ALA 324 HA ALA 324 -0.999 -8.239 -3.680 115 HB1 ALA 324 HB1 ALA 324 1.865 -8.945 -4.428 116 HB2 ALA 324 HB2 ALA 324 1.018 -7.461 -4.866 117 HB3 ALA 324 HB3 ALA 324 0.470 -9.009 -5.510 118 H ARG 325 HN ARG 325 -1.789 -10.245 -4.358 119 HA ARG 325 HA ARG 325 -1.786 -12.328 -2.470 120 HB2 ARG 325 HB2 ARG 325 -3.063 -13.626 -4.231 121 HB3 ARG 325 HB1 ARG 325 -3.732 -12.054 -3.821 122 HG2 ARG 325 HG2 ARG 325 -2.902 -11.096 -5.902 123 HG3 ARG 325 HG1 ARG 325 -2.030 -12.583 -6.285 124 HD2 ARG 325 HD2 ARG 325 -4.129 -13.796 -6.518 125 HD3 ARG 325 HD1 ARG 325 -5.046 -12.371 -6.020 126 HE ARG 325 HE ARG 325 -3.701 -11.461 -8.170 127 HH11 ARG 325 HH11 ARG 325 -5.709 -14.321 -7.751 128 HH12 ARG 325 HH12 ARG 325 -6.225 -14.340 -9.406 129 HH21 ARG 325 HH21 ARG 325 -4.405 -11.505 -10.314 130 HH22 ARG 325 HH22 ARG 325 -5.486 -12.749 -10.853 131 H GLY 326 HN GLY 326 -0.523 -14.059 -2.187 132 HA2 GLY 326 HA2 GLY 326 0.958 -15.816 -2.852 133 HA3 GLY 326 HA1 GLY 326 1.487 -14.849 -4.218 134 H GLY 327 HN GLY 327 1.408 -12.575 -1.973 135 HA2 GLY 327 HA2 GLY 327 4.206 -12.852 -1.102 136 HA3 GLY 327 HA1 GLY 327 3.183 -11.422 -0.981 137 H THR 328 HN THR 328 4.385 -11.616 1.210 138 HA THR 328 HA THR 328 3.284 -13.429 3.180 139 HB THR 328 HB THR 328 4.512 -12.003 4.841 140 HG1 THR 328 HG1 THR 328 5.552 -10.163 4.193 141 HG21 THR 328 HG21 THR 328 5.735 -13.820 3.686 142 HG22 THR 328 HG22 THR 328 6.793 -12.456 4.048 143 HG23 THR 328 HG23 THR 328 6.194 -12.693 2.406 144 H GLY 329 HN GLY 329 2.618 -10.221 2.015 145 HA2 GLY 329 HA2 GLY 329 0.697 -8.923 2.288 146 HA3 GLY 329 HA1 GLY 329 0.205 -9.925 3.646 147 H PHE 330 HN PHE 330 3.393 -9.268 4.134 148 HA PHE 330 HA PHE 330 2.869 -6.880 5.813 149 HB2 PHE 330 HB2 PHE 330 4.902 -9.098 6.308 150 HB3 PHE 330 HB1 PHE 330 4.565 -7.735 7.374 151 HD1 PHE 330 HD1 PHE 330 3.670 -11.128 6.555 152 HD2 PHE 330 HD2 PHE 330 2.176 -7.543 8.352 153 HE1 PHE 330 HE1 PHE 330 1.907 -12.414 7.670 154 HE2 PHE 330 HE2 PHE 330 0.421 -8.844 9.465 155 HZ PHE 330 HZ PHE 330 0.282 -11.278 9.127 156 H CYS 331 HN CYS 331 3.892 -5.085 5.074 157 HA CYS 331 HA CYS 331 6.329 -5.203 3.487 158 HB2 CYS 331 HB2 CYS 331 4.746 -2.882 4.656 159 HB3 CYS 331 HB1 CYS 331 6.233 -2.653 3.749 160 HA PRO 332 HA PRO 332 9.173 -5.388 6.943 161 HB2 PRO 332 HB2 PRO 332 11.051 -3.678 5.336 162 HB3 PRO 332 HB1 PRO 332 11.291 -5.314 5.989 163 HG2 PRO 332 HG2 PRO 332 10.918 -4.961 3.373 164 HG3 PRO 332 HG1 PRO 332 10.185 -6.344 4.217 165 HD2 PRO 332 HD2 PRO 332 8.873 -3.759 3.361 166 HD3 PRO 332 HD1 PRO 332 8.271 -5.430 3.231 167 H TYR 333 HN TYR 333 8.574 -2.260 5.459 168 HA TYR 333 HA TYR 333 9.527 -0.697 7.711 169 HB2 TYR 333 HB2 TYR 333 7.941 0.192 5.267 170 HB3 TYR 333 HB1 TYR 333 8.837 1.235 6.371 171 HD1 TYR 333 HD1 TYR 333 11.383 1.064 6.427 172 HD2 TYR 333 HD2 TYR 333 9.056 -0.878 3.414 173 HE1 TYR 333 HE1 TYR 333 13.390 0.827 5.032 174 HE2 TYR 333 HE2 TYR 333 11.061 -1.116 2.019 175 HH TYR 333 HH TYR 333 13.329 0.081 1.801 176 H GLY 334 HN GLY 334 6.567 -2.236 6.827 177 HA2 GLY 334 HA2 GLY 334 4.512 -2.352 7.848 178 HA3 GLY 334 HA1 GLY 334 5.145 -1.342 9.145 179 H LEU 335 HN LEU 335 3.946 0.464 9.365 180 HA LEU 335 HA LEU 335 2.332 1.583 7.268 181 HB2 LEU 335 HB2 LEU 335 1.686 1.649 9.672 182 HB3 LEU 335 HB1 LEU 335 3.034 2.720 10.004 183 HG LEU 335 HG LEU 335 1.983 4.488 8.579 184 HD11 LEU 335 HD11 LEU 335 -0.330 4.250 7.778 185 HD12 LEU 335 HD12 LEU 335 -0.341 2.562 8.295 186 HD13 LEU 335 HD13 LEU 335 0.746 3.085 7.007 187 HD21 LEU 335 HD21 LEU 335 0.134 5.065 10.086 188 HD22 LEU 335 HD22 LEU 335 1.536 4.486 10.981 189 HD23 LEU 335 HD23 LEU 335 0.145 3.424 10.742 190 H ARG 336 HN ARG 336 5.619 2.025 8.282 191 HA ARG 336 HA ARG 336 6.020 4.684 7.265 192 HB2 ARG 336 HB2 ARG 336 7.985 2.456 7.913 193 HB3 ARG 336 HB1 ARG 336 8.482 4.075 7.420 194 HG2 ARG 336 HG2 ARG 336 6.871 3.398 9.914 195 HG3 ARG 336 HG1 ARG 336 8.602 3.762 9.863 196 HD2 ARG 336 HD2 ARG 336 8.116 6.029 9.035 197 HD3 ARG 336 HD1 ARG 336 6.382 5.675 9.037 198 HE ARG 336 HE ARG 336 7.398 5.208 11.619 199 HH11 ARG 336 HH11 ARG 336 6.762 7.924 9.481 200 HH12 ARG 336 HH12 ARG 336 6.524 9.046 10.781 201 HH21 ARG 336 HH21 ARG 336 6.718 8.355 12.944 202 HH22 ARG 336 HH22 ARG 336 7.103 6.706 13.309 203 H CYS 337 HN CYS 337 5.652 1.659 5.738 204 HA CYS 337 HA CYS 337 7.199 1.844 3.418 205 HB2 CYS 337 HB2 CYS 337 6.054 -0.199 4.022 206 HB3 CYS 337 HB1 CYS 337 4.482 0.580 3.915 207 H GLU 338 HN GLU 338 7.182 3.345 1.861 208 HA GLU 338 HA GLU 338 5.305 5.435 1.602 209 HB2 GLU 338 HB2 GLU 338 7.345 4.440 -0.433 210 HB3 GLU 338 HB1 GLU 338 6.473 5.972 -0.537 211 HG2 GLU 338 HG2 GLU 338 7.552 6.663 1.623 212 HG3 GLU 338 HG1 GLU 338 8.516 5.181 1.575 213 H PHE 339 HN PHE 339 5.676 2.333 -0.029 214 HA PHE 339 HA PHE 339 3.666 2.722 -2.023 215 HB2 PHE 339 HB2 PHE 339 4.718 0.098 -0.881 216 HB3 PHE 339 HB1 PHE 339 3.844 0.296 -2.399 217 HD1 PHE 339 HD1 PHE 339 5.000 2.188 -4.012 218 HD2 PHE 339 HD2 PHE 339 7.037 -0.187 -1.079 219 HE1 PHE 339 HE1 PHE 339 7.126 2.524 -5.197 220 HE2 PHE 339 HE2 PHE 339 9.153 0.160 -2.276 221 HZ PHE 339 HZ PHE 339 9.201 1.515 -4.330 222 H VAL 340 HN VAL 340 1.534 2.678 -1.755 223 HA VAL 340 HA VAL 340 0.413 2.419 0.882 224 HB VAL 340 HB VAL 340 -1.028 3.074 -1.725 225 HG11 VAL 340 HG11 VAL 340 -1.789 3.600 1.182 226 HG12 VAL 340 HG12 VAL 340 -2.559 2.438 0.097 227 HG13 VAL 340 HG13 VAL 340 -2.690 4.164 -0.228 228 HG21 VAL 340 HG21 VAL 340 0.834 4.656 -1.378 229 HG22 VAL 340 HG22 VAL 340 0.272 4.984 0.264 230 HG23 VAL 340 HG23 VAL 340 -0.719 5.456 -1.117 231 H HIS 341 HN HIS 341 -1.041 0.943 1.559 232 HA HIS 341 HA HIS 341 -0.793 -1.664 0.297 233 HB2 HIS 341 HB2 HIS 341 -1.980 -0.918 3.012 234 HB3 HIS 341 HB1 HIS 341 -1.448 -2.518 2.494 235 HD1 HIS 341 HD1 HIS 341 -0.261 -0.274 4.788 236 HD2 HIS 341 HD2 HIS 341 1.473 -1.858 1.379 237 HE1 HIS 341 HE1 HIS 341 2.222 0.078 5.032 238 HA PRO 342 HA PRO 342 -5.023 -1.608 -1.435 239 HB2 PRO 342 HB2 PRO 342 -5.324 -4.394 -1.582 240 HB3 PRO 342 HB1 PRO 342 -4.496 -3.410 -2.810 241 HG2 PRO 342 HG2 PRO 342 -3.300 -4.967 -0.524 242 HG3 PRO 342 HG1 PRO 342 -2.771 -4.871 -2.222 243 HD2 PRO 342 HD2 PRO 342 -1.505 -3.437 -0.356 244 HD3 PRO 342 HD1 PRO 342 -1.832 -2.719 -1.951 245 H THR 343 HN THR 343 -4.038 -3.642 1.282 246 HA THR 343 HA THR 343 -6.580 -3.478 2.653 247 HB THR 343 HB THR 343 -3.851 -4.251 3.796 248 HG1 THR 343 HG1 THR 343 -5.638 -5.657 2.132 249 HG21 THR 343 HG21 THR 343 -5.188 -5.628 5.361 250 HG22 THR 343 HG22 THR 343 -6.680 -5.042 4.624 251 HG23 THR 343 HG23 THR 343 -5.624 -3.925 5.496 252 H ASP 344 HN ASP 344 -6.714 -1.112 2.379 253 HA ASP 344 HA ASP 344 -4.811 0.617 3.733 254 HB2 ASP 344 HB2 ASP 344 -5.823 1.296 1.570 255 HB3 ASP 344 HB1 ASP 344 -7.427 1.265 2.307 256 H LYS 345 HN LYS 345 -4.925 0.372 5.896 257 HA LYS 345 HA LYS 345 -7.459 0.053 7.292 258 HB2 LYS 345 HB2 LYS 345 -4.621 0.136 8.396 259 HB3 LYS 345 HB1 LYS 345 -6.068 -0.330 9.292 260 HG2 LYS 345 HG2 LYS 345 -4.877 -1.808 6.910 261 HG3 LYS 345 HG1 LYS 345 -4.758 -2.296 8.606 262 HD2 LYS 345 HD2 LYS 345 -7.354 -2.083 7.013 263 HD3 LYS 345 HD1 LYS 345 -6.477 -3.581 7.338 264 HE2 LYS 345 HE2 LYS 345 -7.724 -1.768 9.437 265 HE3 LYS 345 HE1 LYS 345 -8.385 -3.305 8.868 266 HZ1 LYS 345 HZ1 LYS 345 -5.826 -2.916 10.339 267 HZ2 LYS 345 HZ2 LYS 345 -6.370 -4.397 9.731 268 HZ3 LYS 345 HZ3 LYS 345 -7.243 -3.610 10.945 269 H GLU 346 HN GLU 346 -8.546 1.657 8.202 270 HA GLU 346 HA GLU 346 -7.281 4.125 9.120 271 HB2 GLU 346 HB2 GLU 346 -7.920 4.249 6.550 272 HB3 GLU 346 HB1 GLU 346 -9.580 4.351 7.118 273 HG2 GLU 346 HG2 GLU 346 -7.333 6.299 7.753 274 HG3 GLU 346 HG1 GLU 346 -8.615 6.556 6.578 Start of MODEL 14 1 H1 ASN 312 HT1 ASN 312 -4.832 3.947 -19.124 2 H2 ASN 312 HT2 ASN 312 -3.761 5.041 -18.399 3 H3 ASN 312 HT3 ASN 312 -5.004 4.338 -17.492 4 HA ASN 312 HA ASN 312 -4.039 2.195 -17.661 5 HB2 ASN 312 HB2 ASN 312 -1.835 1.875 -18.797 6 HB3 ASN 312 HB1 ASN 312 -3.081 2.397 -19.923 7 HD21 ASN 312 HD21 ASN 312 -2.965 4.500 -20.793 8 HD22 ASN 312 HD22 ASN 312 -1.511 5.431 -20.735 9 H ASN 313 HN ASN 313 -3.745 4.987 -16.228 10 HA ASN 313 HA ASN 313 -1.104 4.756 -14.968 11 HB2 ASN 313 HB2 ASN 313 -3.240 6.920 -14.681 12 HB3 ASN 313 HB1 ASN 313 -1.594 6.998 -14.063 13 HD21 ASN 313 HD21 ASN 313 -0.727 8.640 -15.229 14 HD22 ASN 313 HD22 ASN 313 -0.695 8.721 -16.955 15 H LYS 314 HN LYS 314 -1.014 3.421 -13.247 16 HA LYS 314 HA LYS 314 -3.093 3.607 -11.111 17 HB2 LYS 314 HB2 LYS 314 -1.051 1.386 -11.661 18 HB3 LYS 314 HB1 LYS 314 -2.034 1.479 -10.210 19 HG2 LYS 314 HG2 LYS 314 -3.129 -0.098 -11.569 20 HG3 LYS 314 HG1 LYS 314 -4.084 1.375 -11.727 21 HD2 LYS 314 HD2 LYS 314 -3.787 0.200 -13.893 22 HD3 LYS 314 HD1 LYS 314 -3.092 1.823 -13.919 23 HE2 LYS 314 HE2 LYS 314 -1.626 0.176 -15.037 24 HE3 LYS 314 HE1 LYS 314 -0.837 0.871 -13.622 25 HZ1 LYS 314 HZ1 LYS 314 -0.491 -1.505 -13.743 26 HZ2 LYS 314 HZ2 LYS 314 -2.152 -1.789 -13.766 27 HZ3 LYS 314 HZ3 LYS 314 -1.444 -1.137 -12.383 28 H TYR 315 HN TYR 315 -1.635 5.716 -11.263 29 HA TYR 315 HA TYR 315 0.901 5.881 -10.138 30 HB2 TYR 315 HB2 TYR 315 0.440 8.297 -9.852 31 HB3 TYR 315 HB1 TYR 315 -0.055 7.719 -11.431 32 HD1 TYR 315 HD1 TYR 315 -2.658 7.074 -11.640 33 HD2 TYR 315 HD2 TYR 315 -1.059 9.692 -8.653 34 HE1 TYR 315 HE1 TYR 315 -4.886 8.055 -11.306 35 HE2 TYR 315 HE2 TYR 315 -3.296 10.669 -8.328 36 HH TYR 315 HH TYR 315 -5.404 10.926 -9.587 37 H LYS 316 HN LYS 316 -2.252 6.451 -8.496 38 HA LYS 316 HA LYS 316 -0.949 6.508 -5.883 39 HB2 LYS 316 HB2 LYS 316 -2.787 8.136 -6.527 40 HB3 LYS 316 HB1 LYS 316 -3.916 6.790 -6.553 41 HG2 LYS 316 HG2 LYS 316 -4.219 7.959 -4.484 42 HG3 LYS 316 HG1 LYS 316 -3.453 6.422 -4.109 43 HD2 LYS 316 HD2 LYS 316 -1.749 8.911 -4.435 44 HD3 LYS 316 HD1 LYS 316 -2.627 8.645 -2.933 45 HE2 LYS 316 HE2 LYS 316 -1.433 6.538 -2.564 46 HE3 LYS 316 HE1 LYS 316 -0.609 6.702 -4.116 47 HZ1 LYS 316 HZ1 LYS 316 0.844 7.407 -2.385 48 HZ2 LYS 316 HZ2 LYS 316 -0.316 8.455 -1.745 49 HZ3 LYS 316 HZ3 LYS 316 0.375 8.779 -3.251 50 H THR 317 HN THR 317 -2.398 4.202 -7.924 51 HA THR 317 HA THR 317 -3.007 2.299 -5.776 52 HB THR 317 HB THR 317 -3.228 1.782 -8.786 53 HG1 THR 317 HG1 THR 317 -5.230 2.860 -7.060 54 HG21 THR 317 HG21 THR 317 -4.967 0.169 -8.132 55 HG22 THR 317 HG22 THR 317 -4.762 0.595 -6.433 56 HG23 THR 317 HG23 THR 317 -3.455 -0.215 -7.302 57 H LYS 318 HN LYS 318 -0.345 3.051 -5.745 58 HA LYS 318 HA LYS 318 1.276 1.086 -7.155 59 HB2 LYS 318 HB2 LYS 318 2.033 3.470 -6.755 60 HB3 LYS 318 HB1 LYS 318 2.140 3.100 -5.036 61 HG2 LYS 318 HG2 LYS 318 3.865 1.408 -5.481 62 HG3 LYS 318 HG1 LYS 318 3.713 1.683 -7.219 63 HD2 LYS 318 HD2 LYS 318 4.493 4.052 -6.860 64 HD3 LYS 318 HD1 LYS 318 4.742 3.676 -5.153 65 HE2 LYS 318 HE2 LYS 318 6.401 1.959 -5.773 66 HE3 LYS 318 HE1 LYS 318 6.144 2.318 -7.478 67 HZ1 LYS 318 HZ1 LYS 318 7.201 4.210 -5.459 68 HZ2 LYS 318 HZ2 LYS 318 6.985 4.535 -7.100 69 HZ3 LYS 318 HZ3 LYS 318 8.120 3.385 -6.614 70 H LEU 319 HN LEU 319 0.129 -0.686 -6.277 71 HA LEU 319 HA LEU 319 -0.188 -1.175 -3.488 72 HB2 LEU 319 HB2 LEU 319 -1.672 -1.961 -5.397 73 HB3 LEU 319 HB1 LEU 319 -0.449 -3.149 -5.791 74 HG LEU 319 HG LEU 319 -1.688 -3.135 -3.016 75 HD11 LEU 319 HD11 LEU 319 -2.927 -4.432 -5.465 76 HD12 LEU 319 HD12 LEU 319 -3.600 -3.093 -4.528 77 HD13 LEU 319 HD13 LEU 319 -3.439 -4.685 -3.792 78 HD21 LEU 319 HD21 LEU 319 -1.241 -5.553 -3.077 79 HD22 LEU 319 HD22 LEU 319 0.231 -4.641 -3.389 80 HD23 LEU 319 HD23 LEU 319 -0.620 -5.412 -4.724 81 H CYS 320 HN CYS 320 1.160 -2.148 -2.112 82 HA CYS 320 HA CYS 320 3.857 -2.683 -2.608 83 HB2 CYS 320 HB2 CYS 320 2.174 -3.862 -0.356 84 HB3 CYS 320 HB1 CYS 320 3.922 -3.605 -0.351 85 H LYS 321 HN LYS 321 4.818 -4.389 -3.577 86 HA LYS 321 HA LYS 321 3.550 -6.745 -4.453 87 HB2 LYS 321 HB2 LYS 321 5.805 -7.579 -4.979 88 HB3 LYS 321 HB1 LYS 321 5.640 -5.901 -5.486 89 HG2 LYS 321 HG2 LYS 321 6.898 -5.163 -3.485 90 HG3 LYS 321 HG1 LYS 321 7.060 -6.838 -2.956 91 HD2 LYS 321 HD2 LYS 321 8.261 -5.595 -5.461 92 HD3 LYS 321 HD1 LYS 321 9.131 -6.111 -4.017 93 HE2 LYS 321 HE2 LYS 321 7.716 -7.894 -6.029 94 HE3 LYS 321 HE1 LYS 321 9.446 -7.798 -5.721 95 HZ1 LYS 321 HZ1 LYS 321 8.990 -8.637 -3.458 96 HZ2 LYS 321 HZ2 LYS 321 8.588 -9.729 -4.675 97 HZ3 LYS 321 HZ3 LYS 321 7.372 -8.866 -3.895 98 H ASN 322 HN ASN 322 4.960 -5.826 -1.440 99 HA ASN 322 HA ASN 322 5.353 -8.287 -0.127 100 HB2 ASN 322 HB2 ASN 322 4.421 -5.664 1.125 101 HB3 ASN 322 HB1 ASN 322 5.280 -6.972 1.935 102 HD21 ASN 322 HD21 ASN 322 7.530 -7.230 1.512 103 HD22 ASN 322 HD22 ASN 322 8.470 -5.970 0.797 104 H PHE 323 HN PHE 323 2.510 -6.174 -0.451 105 HA PHE 323 HA PHE 323 0.734 -7.971 1.007 106 HB2 PHE 323 HB2 PHE 323 0.414 -5.217 -0.242 107 HB3 PHE 323 HB1 PHE 323 -1.015 -6.160 0.172 108 HD1 PHE 323 HD1 PHE 323 -1.987 -5.610 2.242 109 HD2 PHE 323 HD2 PHE 323 2.266 -5.300 1.832 110 HE1 PHE 323 HE1 PHE 323 -1.809 -4.845 4.576 111 HE2 PHE 323 HE2 PHE 323 2.422 -4.534 4.167 112 HZ PHE 323 HZ PHE 323 0.395 -4.309 5.536 113 H ALA 324 HN ALA 324 1.714 -7.468 -2.252 114 HA ALA 324 HA ALA 324 -0.511 -8.820 -3.503 115 HB1 ALA 324 HB1 ALA 324 2.298 -8.284 -4.558 116 HB2 ALA 324 HB2 ALA 324 0.896 -7.240 -4.781 117 HB3 ALA 324 HB3 ALA 324 0.923 -8.841 -5.519 118 H ARG 325 HN ARG 325 -0.545 -10.981 -4.190 119 HA ARG 325 HA ARG 325 0.464 -12.842 -2.345 120 HB2 ARG 325 HB2 ARG 325 -1.687 -13.100 -3.519 121 HB3 ARG 325 HB1 ARG 325 -0.850 -13.346 -5.051 122 HG2 ARG 325 HG2 ARG 325 -0.063 -15.497 -4.403 123 HG3 ARG 325 HG1 ARG 325 -0.354 -15.191 -2.689 124 HD2 ARG 325 HD2 ARG 325 -2.540 -15.457 -4.777 125 HD3 ARG 325 HD1 ARG 325 -2.002 -16.764 -3.719 126 HE ARG 325 HE ARG 325 -2.660 -15.200 -1.816 127 HH11 ARG 325 HH11 ARG 325 -4.349 -15.096 -4.905 128 HH12 ARG 325 HH12 ARG 325 -5.817 -14.490 -4.209 129 HH21 ARG 325 HH21 ARG 325 -5.947 -14.097 -1.952 130 HH22 ARG 325 HH22 ARG 325 -4.574 -14.405 -0.930 131 H GLY 326 HN GLY 326 1.963 -14.562 -2.606 132 HA2 GLY 326 HA2 GLY 326 4.019 -15.415 -3.435 133 HA3 GLY 326 HA1 GLY 326 4.174 -14.028 -4.510 134 H GLY 327 HN GLY 327 3.252 -12.299 -2.145 135 HA2 GLY 327 HA2 GLY 327 5.839 -11.879 -0.823 136 HA3 GLY 327 HA1 GLY 327 4.417 -10.845 -0.744 137 H THR 328 HN THR 328 5.219 -10.958 1.592 138 HA THR 328 HA THR 328 4.402 -13.362 3.084 139 HB THR 328 HB THR 328 5.495 -12.297 5.020 140 HG1 THR 328 HG1 THR 328 6.286 -10.239 4.905 141 HG21 THR 328 HG21 THR 328 6.951 -13.567 3.453 142 HG22 THR 328 HG22 THR 328 7.819 -12.221 4.191 143 HG23 THR 328 HG23 THR 328 7.244 -12.090 2.528 144 H GLY 329 HN GLY 329 3.031 -10.462 2.089 145 HA2 GLY 329 HA2 GLY 329 0.994 -9.503 2.554 146 HA3 GLY 329 HA1 GLY 329 0.803 -10.538 3.961 147 H PHE 330 HN PHE 330 3.768 -9.391 4.454 148 HA PHE 330 HA PHE 330 2.929 -6.900 5.809 149 HB2 PHE 330 HB2 PHE 330 3.513 -8.670 7.422 150 HB3 PHE 330 HB1 PHE 330 5.051 -8.949 6.620 151 HD1 PHE 330 HD1 PHE 330 3.123 -6.184 8.302 152 HD2 PHE 330 HD2 PHE 330 6.975 -7.919 7.550 153 HE1 PHE 330 HE1 PHE 330 4.170 -4.553 9.824 154 HE2 PHE 330 HE2 PHE 330 8.002 -6.274 9.071 155 HZ PHE 330 HZ PHE 330 6.601 -4.598 10.208 156 H CYS 331 HN CYS 331 3.991 -5.084 5.188 157 HA CYS 331 HA CYS 331 6.305 -5.167 3.415 158 HB2 CYS 331 HB2 CYS 331 4.804 -2.832 4.669 159 HB3 CYS 331 HB1 CYS 331 6.111 -2.675 3.500 160 HA PRO 332 HA PRO 332 9.236 -5.359 6.780 161 HB2 PRO 332 HB2 PRO 332 11.454 -4.101 5.628 162 HB3 PRO 332 HB1 PRO 332 10.954 -5.766 5.276 163 HG2 PRO 332 HG2 PRO 332 10.386 -3.277 3.704 164 HG3 PRO 332 HG1 PRO 332 10.889 -4.884 3.128 165 HD2 PRO 332 HD2 PRO 332 8.312 -4.132 2.968 166 HD3 PRO 332 HD1 PRO 332 8.742 -5.807 3.381 167 H TYR 333 HN TYR 333 8.391 -2.296 5.406 168 HA TYR 333 HA TYR 333 9.611 -0.695 7.524 169 HB2 TYR 333 HB2 TYR 333 7.933 0.139 5.113 170 HB3 TYR 333 HB1 TYR 333 8.815 1.232 6.177 171 HD1 TYR 333 HD1 TYR 333 9.036 -0.871 3.231 172 HD2 TYR 333 HD2 TYR 333 11.378 1.048 6.257 173 HE1 TYR 333 HE1 TYR 333 11.048 -1.097 1.826 174 HE2 TYR 333 HE2 TYR 333 13.378 0.820 4.852 175 HH TYR 333 HH TYR 333 14.211 -0.501 3.025 176 H GLY 334 HN GLY 334 6.590 -2.192 6.850 177 HA2 GLY 334 HA2 GLY 334 4.659 -2.338 8.059 178 HA3 GLY 334 HA1 GLY 334 5.372 -1.292 9.276 179 H LEU 335 HN LEU 335 4.286 0.566 9.547 180 HA LEU 335 HA LEU 335 2.389 1.590 7.639 181 HB2 LEU 335 HB2 LEU 335 2.040 1.805 10.090 182 HB3 LEU 335 HB1 LEU 335 3.437 2.866 10.204 183 HG LEU 335 HG LEU 335 2.245 4.566 8.796 184 HD11 LEU 335 HD11 LEU 335 -0.150 4.296 8.297 185 HD12 LEU 335 HD12 LEU 335 -0.084 2.637 8.893 186 HD13 LEU 335 HD13 LEU 335 0.841 3.101 7.464 187 HD21 LEU 335 HD21 LEU 335 0.584 5.277 10.448 188 HD22 LEU 335 HD22 LEU 335 2.060 4.723 11.236 189 HD23 LEU 335 HD23 LEU 335 0.633 3.682 11.205 190 H ARG 336 HN ARG 336 5.761 2.149 8.306 191 HA ARG 336 HA ARG 336 6.012 4.721 7.074 192 HB2 ARG 336 HB2 ARG 336 8.087 2.590 7.738 193 HB3 ARG 336 HB1 ARG 336 8.493 4.190 7.120 194 HG2 ARG 336 HG2 ARG 336 7.064 3.632 9.735 195 HG3 ARG 336 HG1 ARG 336 8.765 4.057 9.559 196 HD2 ARG 336 HD2 ARG 336 8.142 6.241 8.621 197 HD3 ARG 336 HD1 ARG 336 6.431 5.825 8.748 198 HE ARG 336 HE ARG 336 7.201 5.548 11.287 199 HH11 ARG 336 HH11 ARG 336 7.831 8.192 9.035 200 HH12 ARG 336 HH12 ARG 336 7.925 9.382 10.295 201 HH21 ARG 336 HH21 ARG 336 7.353 7.124 12.904 202 HH22 ARG 336 HH22 ARG 336 7.656 8.777 12.482 203 H CYS 337 HN CYS 337 5.488 1.664 5.723 204 HA CYS 337 HA CYS 337 7.113 1.595 3.438 205 HB2 CYS 337 HB2 CYS 337 5.829 -0.339 4.182 206 HB3 CYS 337 HB1 CYS 337 4.309 0.504 3.898 207 H GLU 338 HN GLU 338 7.228 2.936 1.807 208 HA GLU 338 HA GLU 338 5.421 5.103 1.362 209 HB2 GLU 338 HB2 GLU 338 7.805 4.170 -0.297 210 HB3 GLU 338 HB1 GLU 338 6.955 5.703 -0.504 211 HG2 GLU 338 HG2 GLU 338 7.616 6.414 1.755 212 HG3 GLU 338 HG1 GLU 338 8.422 4.871 2.023 213 H PHE 339 HN PHE 339 5.836 1.949 -0.052 214 HA PHE 339 HA PHE 339 4.016 2.276 -2.257 215 HB2 PHE 339 HB2 PHE 339 4.807 -0.268 -0.749 216 HB3 PHE 339 HB1 PHE 339 4.020 -0.208 -2.320 217 HD1 PHE 339 HD1 PHE 339 5.306 0.099 -4.341 218 HD2 PHE 339 HD2 PHE 339 7.210 0.461 -0.518 219 HE1 PHE 339 HE1 PHE 339 7.517 0.059 -5.422 220 HE2 PHE 339 HE2 PHE 339 9.411 0.423 -1.621 221 HZ PHE 339 HZ PHE 339 9.558 0.218 -4.067 222 H VAL 340 HN VAL 340 1.785 2.138 -2.169 223 HA VAL 340 HA VAL 340 0.556 2.332 0.442 224 HB VAL 340 HB VAL 340 -0.129 3.875 -1.375 225 HG11 VAL 340 HG11 VAL 340 0.012 2.377 -3.312 226 HG12 VAL 340 HG12 VAL 340 -1.586 3.115 -3.216 227 HG13 VAL 340 HG13 VAL 340 -1.361 1.441 -2.712 228 HG21 VAL 340 HG21 VAL 340 -1.665 3.457 0.508 229 HG22 VAL 340 HG22 VAL 340 -2.410 2.128 -0.380 230 HG23 VAL 340 HG23 VAL 340 -2.565 3.782 -0.977 231 H HIS 341 HN HIS 341 -0.927 0.979 1.329 232 HA HIS 341 HA HIS 341 -0.913 -1.810 0.459 233 HB2 HIS 341 HB2 HIS 341 -2.117 -0.580 2.989 234 HB3 HIS 341 HB1 HIS 341 -1.771 -2.291 2.715 235 HD1 HIS 341 HD1 HIS 341 -0.474 -0.017 4.878 236 HD2 HIS 341 HD2 HIS 341 1.280 -1.969 1.645 237 HE1 HIS 341 HE1 HIS 341 2.041 0.084 5.254 238 HA PRO 342 HA PRO 342 -4.791 -1.602 -1.746 239 HB2 PRO 342 HB2 PRO 342 -5.890 -4.115 -1.055 240 HB3 PRO 342 HB1 PRO 342 -4.728 -3.814 -2.364 241 HG2 PRO 342 HG2 PRO 342 -4.211 -4.806 0.406 242 HG3 PRO 342 HG1 PRO 342 -3.459 -5.300 -1.125 243 HD2 PRO 342 HD2 PRO 342 -2.160 -3.683 0.586 244 HD3 PRO 342 HD1 PRO 342 -2.016 -3.443 -1.170 245 H THR 343 HN THR 343 -5.100 -2.867 1.580 246 HA THR 343 HA THR 343 -7.162 -0.797 2.059 247 HB THR 343 HB THR 343 -6.818 -3.462 3.536 248 HG1 THR 343 HG1 THR 343 -8.550 -2.518 1.537 249 HG21 THR 343 HG21 THR 343 -7.559 -1.684 5.101 250 HG22 THR 343 HG22 THR 343 -8.864 -2.824 4.779 251 HG23 THR 343 HG23 THR 343 -8.869 -1.252 3.984 252 H ASP 344 HN ASP 344 -5.650 0.798 2.482 253 HA ASP 344 HA ASP 344 -3.665 0.365 4.643 254 HB2 ASP 344 HB2 ASP 344 -2.809 1.266 2.516 255 HB3 ASP 344 HB1 ASP 344 -3.939 2.607 2.594 256 H LYS 345 HN LYS 345 -3.552 1.742 6.397 257 HA LYS 345 HA LYS 345 -5.077 4.129 6.733 258 HB2 LYS 345 HB2 LYS 345 -6.503 3.504 8.586 259 HB3 LYS 345 HB1 LYS 345 -6.827 2.342 7.308 260 HG2 LYS 345 HG2 LYS 345 -5.631 0.598 8.448 261 HG3 LYS 345 HG1 LYS 345 -4.915 1.740 9.589 262 HD2 LYS 345 HD2 LYS 345 -7.263 2.212 10.445 263 HD3 LYS 345 HD1 LYS 345 -7.826 0.883 9.428 264 HE2 LYS 345 HE2 LYS 345 -7.494 0.172 11.772 265 HE3 LYS 345 HE1 LYS 345 -6.417 -0.695 10.676 266 HZ1 LYS 345 HZ1 LYS 345 -5.340 0.079 12.740 267 HZ2 LYS 345 HZ2 LYS 345 -5.597 1.683 12.270 268 HZ3 LYS 345 HZ3 LYS 345 -4.601 0.675 11.348 269 H GLU 346 HN GLU 346 -4.654 4.858 9.194 270 HA GLU 346 HA GLU 346 -1.968 4.092 10.073 271 HB2 GLU 346 HB2 GLU 346 -3.992 6.068 11.248 272 HB3 GLU 346 HB1 GLU 346 -2.436 5.693 11.986 273 HG2 GLU 346 HG2 GLU 346 -2.202 7.750 10.780 274 HG3 GLU 346 HG1 GLU 346 -1.299 6.498 9.929 Start of MODEL 15 1 H1 ASN 312 HT1 ASN 312 -11.414 8.371 -8.778 2 H2 ASN 312 HT2 ASN 312 -10.445 8.207 -10.151 3 H3 ASN 312 HT3 ASN 312 -10.569 9.704 -9.374 4 HA ASN 312 HA ASN 312 -9.484 8.867 -7.446 5 HB2 ASN 312 HB2 ASN 312 -8.530 6.568 -7.415 6 HB3 ASN 312 HB1 ASN 312 -10.282 6.553 -7.521 7 HD21 ASN 312 HD21 ASN 312 -10.191 4.402 -8.261 8 HD22 ASN 312 HD22 ASN 312 -9.747 4.016 -9.885 9 H ASN 313 HN ASN 313 -7.099 8.719 -7.278 10 HA ASN 313 HA ASN 313 -5.648 9.226 -9.824 11 HB2 ASN 313 HB2 ASN 313 -5.293 10.693 -7.173 12 HB3 ASN 313 HB1 ASN 313 -4.191 10.839 -8.542 13 HD21 ASN 313 HD21 ASN 313 -4.959 11.855 -10.481 14 HD22 ASN 313 HD22 ASN 313 -6.307 12.938 -10.420 15 H LYS 314 HN LYS 314 -3.316 8.823 -9.668 16 HA LYS 314 HA LYS 314 -2.965 6.195 -8.458 17 HB2 LYS 314 HB2 LYS 314 -1.345 7.612 -10.616 18 HB3 LYS 314 HB1 LYS 314 -1.127 5.938 -10.102 19 HG2 LYS 314 HG2 LYS 314 -3.429 5.407 -10.842 20 HG3 LYS 314 HG1 LYS 314 -3.641 7.078 -11.366 21 HD2 LYS 314 HD2 LYS 314 -1.765 6.747 -13.010 22 HD3 LYS 314 HD1 LYS 314 -1.682 5.052 -12.522 23 HE2 LYS 314 HE2 LYS 314 -4.031 4.735 -13.272 24 HE3 LYS 314 HE1 LYS 314 -4.092 6.424 -13.777 25 HZ1 LYS 314 HZ1 LYS 314 -3.675 5.018 -15.662 26 HZ2 LYS 314 HZ2 LYS 314 -2.345 4.304 -14.910 27 HZ3 LYS 314 HZ3 LYS 314 -2.285 5.931 -15.357 28 H TYR 315 HN TYR 315 -2.823 7.953 -6.479 29 HA TYR 315 HA TYR 315 0.036 7.927 -5.680 30 HB2 TYR 315 HB2 TYR 315 -2.287 9.394 -4.341 31 HB3 TYR 315 HB1 TYR 315 -0.593 9.496 -3.882 32 HD1 TYR 315 HD1 TYR 315 0.972 10.911 -5.181 33 HD2 TYR 315 HD2 TYR 315 -3.115 10.553 -6.360 34 HE1 TYR 315 HE1 TYR 315 1.231 12.849 -6.674 35 HE2 TYR 315 HE2 TYR 315 -2.858 12.485 -7.850 36 HH TYR 315 HH TYR 315 -1.464 14.410 -8.157 37 H LYS 316 HN LYS 316 -3.278 7.338 -4.422 38 HA LYS 316 HA LYS 316 -2.262 5.284 -2.585 39 HB2 LYS 316 HB2 LYS 316 -4.567 5.255 -1.632 40 HB3 LYS 316 HB1 LYS 316 -3.774 6.819 -1.529 41 HG2 LYS 316 HG2 LYS 316 -5.115 7.671 -3.383 42 HG3 LYS 316 HG1 LYS 316 -5.856 6.082 -3.605 43 HD2 LYS 316 HD2 LYS 316 -6.984 6.220 -1.468 44 HD3 LYS 316 HD1 LYS 316 -6.092 7.674 -1.018 45 HE2 LYS 316 HE2 LYS 316 -8.045 7.520 -3.338 46 HE3 LYS 316 HE1 LYS 316 -8.455 8.114 -1.728 47 HZ1 LYS 316 HZ1 LYS 316 -6.401 9.281 -3.529 48 HZ2 LYS 316 HZ2 LYS 316 -6.787 9.846 -1.985 49 HZ3 LYS 316 HZ3 LYS 316 -7.933 9.926 -3.223 50 H THR 317 HN THR 317 -2.539 4.995 -5.625 51 HA THR 317 HA THR 317 -3.899 2.353 -5.554 52 HB THR 317 HB THR 317 -3.904 2.414 -8.013 53 HG1 THR 317 HG1 THR 317 -2.913 3.983 -9.133 54 HG21 THR 317 HG21 THR 317 -4.961 5.047 -6.907 55 HG22 THR 317 HG22 THR 317 -5.834 3.513 -6.904 56 HG23 THR 317 HG23 THR 317 -5.443 4.302 -8.434 57 H LYS 318 HN LYS 318 -0.918 3.567 -4.957 58 HA LYS 318 HA LYS 318 0.770 1.920 -6.645 59 HB2 LYS 318 HB2 LYS 318 1.514 3.554 -4.175 60 HB3 LYS 318 HB1 LYS 318 2.648 2.888 -5.341 61 HG2 LYS 318 HG2 LYS 318 0.604 5.068 -5.898 62 HG3 LYS 318 HG1 LYS 318 2.322 5.320 -5.611 63 HD2 LYS 318 HD2 LYS 318 2.268 5.418 -7.930 64 HD3 LYS 318 HD1 LYS 318 2.612 3.707 -7.705 65 HE2 LYS 318 HE2 LYS 318 0.110 3.294 -7.941 66 HE3 LYS 318 HE1 LYS 318 -0.050 4.989 -8.396 67 HZ1 LYS 318 HZ1 LYS 318 1.633 2.994 -9.811 68 HZ2 LYS 318 HZ2 LYS 318 1.401 4.603 -10.265 69 HZ3 LYS 318 HZ3 LYS 318 0.108 3.520 -10.316 70 H LEU 319 HN LEU 319 -0.351 -0.076 -6.038 71 HA LEU 319 HA LEU 319 -0.508 -1.163 -3.472 72 HB2 LEU 319 HB2 LEU 319 -1.101 -3.254 -4.492 73 HB3 LEU 319 HB1 LEU 319 -1.834 -1.961 -5.416 74 HG LEU 319 HG LEU 319 0.686 -3.433 -6.307 75 HD11 LEU 319 HD11 LEU 319 -2.181 -3.929 -7.166 76 HD12 LEU 319 HD12 LEU 319 -1.166 -5.018 -6.220 77 HD13 LEU 319 HD13 LEU 319 -0.745 -4.660 -7.891 78 HD21 LEU 319 HD21 LEU 319 0.463 -1.207 -7.314 79 HD22 LEU 319 HD22 LEU 319 -1.166 -1.603 -7.867 80 HD23 LEU 319 HD23 LEU 319 0.226 -2.472 -8.520 81 H CYS 320 HN CYS 320 0.763 -2.533 -2.292 82 HA CYS 320 HA CYS 320 3.580 -2.636 -2.871 83 HB2 CYS 320 HB2 CYS 320 1.925 -3.614 -0.535 84 HB3 CYS 320 HB1 CYS 320 3.674 -3.855 -0.641 85 H LYS 321 HN LYS 321 4.687 -4.232 -3.682 86 HA LYS 321 HA LYS 321 3.664 -6.589 -4.837 87 HB2 LYS 321 HB2 LYS 321 6.089 -7.201 -5.107 88 HB3 LYS 321 HB1 LYS 321 5.716 -5.574 -5.668 89 HG2 LYS 321 HG2 LYS 321 6.651 -4.602 -3.643 90 HG3 LYS 321 HG1 LYS 321 6.921 -6.208 -2.960 91 HD2 LYS 321 HD2 LYS 321 8.552 -6.699 -4.754 92 HD3 LYS 321 HD1 LYS 321 8.283 -5.091 -5.442 93 HE2 LYS 321 HE2 LYS 321 10.333 -5.173 -4.057 94 HE3 LYS 321 HE1 LYS 321 9.143 -4.044 -3.408 95 HZ1 LYS 321 HZ1 LYS 321 9.597 -6.812 -2.409 96 HZ2 LYS 321 HZ2 LYS 321 8.510 -5.691 -1.765 97 HZ3 LYS 321 HZ3 LYS 321 10.172 -5.403 -1.679 98 H ASN 322 HN ASN 322 4.897 -5.862 -1.645 99 HA ASN 322 HA ASN 322 5.248 -8.481 -0.619 100 HB2 ASN 322 HB2 ASN 322 4.494 -5.903 0.839 101 HB3 ASN 322 HB1 ASN 322 5.037 -7.385 1.627 102 HD21 ASN 322 HD21 ASN 322 6.852 -6.488 2.542 103 HD22 ASN 322 HD22 ASN 322 8.207 -5.915 1.637 104 H PHE 323 HN PHE 323 2.491 -6.309 -0.839 105 HA PHE 323 HA PHE 323 0.621 -8.162 0.436 106 HB2 PHE 323 HB2 PHE 323 0.394 -5.324 -0.640 107 HB3 PHE 323 HB1 PHE 323 -1.024 -6.237 -0.142 108 HD1 PHE 323 HD1 PHE 323 -1.819 -5.780 2.002 109 HD2 PHE 323 HD2 PHE 323 2.380 -5.411 1.274 110 HE1 PHE 323 HE1 PHE 323 -1.476 -5.045 4.321 111 HE2 PHE 323 HE2 PHE 323 2.705 -4.678 3.597 112 HZ PHE 323 HZ PHE 323 0.783 -4.497 5.125 113 H ALA 324 HN ALA 324 1.934 -8.073 -2.554 114 HA ALA 324 HA ALA 324 -0.434 -8.870 -4.089 115 HB1 ALA 324 HB1 ALA 324 2.523 -8.858 -4.836 116 HB2 ALA 324 HB2 ALA 324 1.349 -7.594 -5.213 117 HB3 ALA 324 HB3 ALA 324 1.181 -9.194 -5.937 118 H ARG 325 HN ARG 325 -0.550 -11.054 -5.083 119 HA ARG 325 HA ARG 325 -0.201 -13.098 -3.143 120 HB2 ARG 325 HB2 ARG 325 -2.030 -13.053 -4.864 121 HB3 ARG 325 HB1 ARG 325 -0.845 -13.484 -6.094 122 HG2 ARG 325 HG2 ARG 325 -0.430 -15.634 -4.984 123 HG3 ARG 325 HG1 ARG 325 -1.506 -15.184 -3.657 124 HD2 ARG 325 HD2 ARG 325 -2.322 -15.606 -6.553 125 HD3 ARG 325 HD1 ARG 325 -2.631 -16.710 -5.208 126 HE ARG 325 HE ARG 325 -3.695 -14.010 -4.922 127 HH11 ARG 325 HH11 ARG 325 -4.429 -17.338 -5.845 128 HH12 ARG 325 HH12 ARG 325 -6.142 -17.124 -5.675 129 HH21 ARG 325 HH21 ARG 325 -6.996 -15.086 -5.040 130 HH22 ARG 325 HH22 ARG 325 -5.930 -13.751 -4.729 131 H GLY 326 HN GLY 326 1.511 -14.357 -2.744 132 HA2 GLY 326 HA2 GLY 326 3.441 -15.671 -3.427 133 HA3 GLY 326 HA1 GLY 326 3.783 -14.470 -4.666 134 H GLY 327 HN GLY 327 2.929 -12.426 -2.454 135 HA2 GLY 327 HA2 GLY 327 5.585 -12.016 -1.288 136 HA3 GLY 327 HA1 GLY 327 4.201 -10.934 -1.201 137 H THR 328 HN THR 328 5.284 -10.999 1.081 138 HA THR 328 HA THR 328 4.486 -13.267 2.752 139 HB THR 328 HB THR 328 5.915 -10.745 3.705 140 HG1 THR 328 HG1 THR 328 6.963 -13.030 2.361 141 HG21 THR 328 HG21 THR 328 5.160 -12.342 5.471 142 HG22 THR 328 HG22 THR 328 6.917 -12.251 5.375 143 HG23 THR 328 HG23 THR 328 6.071 -13.631 4.674 144 H GLY 329 HN GLY 329 3.197 -10.310 1.781 145 HA2 GLY 329 HA2 GLY 329 1.116 -9.415 2.160 146 HA3 GLY 329 HA1 GLY 329 0.876 -10.514 3.505 147 H PHE 330 HN PHE 330 3.720 -9.289 4.313 148 HA PHE 330 HA PHE 330 2.716 -6.761 5.501 149 HB2 PHE 330 HB2 PHE 330 3.125 -8.468 7.229 150 HB3 PHE 330 HB1 PHE 330 4.744 -8.763 6.615 151 HD1 PHE 330 HD1 PHE 330 2.694 -5.823 7.808 152 HD2 PHE 330 HD2 PHE 330 6.474 -7.833 7.897 153 HE1 PHE 330 HE1 PHE 330 3.555 -4.157 9.397 154 HE2 PHE 330 HE2 PHE 330 7.325 -6.158 9.478 155 HZ PHE 330 HZ PHE 330 5.870 -4.318 10.233 156 H CYS 331 HN CYS 331 3.902 -4.934 5.056 157 HA CYS 331 HA CYS 331 6.455 -5.110 3.623 158 HB2 CYS 331 HB2 CYS 331 4.752 -2.729 4.449 159 HB3 CYS 331 HB1 CYS 331 6.263 -2.610 3.537 160 HA PRO 332 HA PRO 332 8.762 -5.265 7.412 161 HB2 PRO 332 HB2 PRO 332 11.132 -3.978 6.667 162 HB3 PRO 332 HB1 PRO 332 10.710 -5.648 6.242 163 HG2 PRO 332 HG2 PRO 332 10.372 -3.161 4.587 164 HG3 PRO 332 HG1 PRO 332 11.009 -4.754 4.114 165 HD2 PRO 332 HD2 PRO 332 8.501 -4.102 3.497 166 HD3 PRO 332 HD1 PRO 332 8.880 -5.747 4.058 167 H TYR 333 HN TYR 333 8.213 -2.108 6.014 168 HA TYR 333 HA TYR 333 9.084 -0.620 8.380 169 HB2 TYR 333 HB2 TYR 333 7.870 0.290 5.735 170 HB3 TYR 333 HB1 TYR 333 8.411 1.383 7.003 171 HD1 TYR 333 HD1 TYR 333 10.795 1.786 7.384 172 HD2 TYR 333 HD2 TYR 333 9.528 -0.979 4.378 173 HE1 TYR 333 HE1 TYR 333 13.064 1.769 6.438 174 HE2 TYR 333 HE2 TYR 333 11.795 -0.993 3.435 175 HH TYR 333 HH TYR 333 13.807 0.406 3.401 176 H GLY 334 HN GLY 334 6.285 -2.228 7.513 177 HA2 GLY 334 HA2 GLY 334 4.155 -2.279 8.349 178 HA3 GLY 334 HA1 GLY 334 4.621 -1.040 9.508 179 H LEU 335 HN LEU 335 3.266 0.633 9.326 180 HA LEU 335 HA LEU 335 1.879 1.351 6.902 181 HB2 LEU 335 HB2 LEU 335 0.946 1.602 9.254 182 HB3 LEU 335 HB1 LEU 335 2.075 2.924 9.508 183 HG LEU 335 HG LEU 335 0.939 4.167 7.603 184 HD11 LEU 335 HD11 LEU 335 -1.292 3.428 6.870 185 HD12 LEU 335 HD12 LEU 335 -1.093 1.920 7.765 186 HD13 LEU 335 HD13 LEU 335 -0.037 2.284 6.397 187 HD21 LEU 335 HD21 LEU 335 -1.010 4.852 8.918 188 HD22 LEU 335 HD22 LEU 335 0.409 4.664 9.946 189 HD23 LEU 335 HD23 LEU 335 -0.846 3.419 9.938 190 H ARG 336 HN ARG 336 4.907 2.191 8.336 191 HA ARG 336 HA ARG 336 5.349 4.742 7.064 192 HB2 ARG 336 HB2 ARG 336 7.290 2.758 8.329 193 HB3 ARG 336 HB1 ARG 336 7.740 4.376 7.799 194 HG2 ARG 336 HG2 ARG 336 6.376 5.406 9.503 195 HG3 ARG 336 HG1 ARG 336 5.629 3.862 9.919 196 HD2 ARG 336 HD2 ARG 336 8.558 4.580 10.328 197 HD3 ARG 336 HD1 ARG 336 7.325 4.502 11.589 198 HE ARG 336 HE ARG 336 7.122 2.093 11.092 199 HH11 ARG 336 HH11 ARG 336 10.108 3.663 10.081 200 HH12 ARG 336 HH12 ARG 336 11.023 2.186 10.099 201 HH21 ARG 336 HH21 ARG 336 10.023 0.222 10.673 202 HH22 ARG 336 HH22 ARG 336 8.341 0.174 11.096 203 H CYS 337 HN CYS 337 5.080 1.760 5.665 204 HA CYS 337 HA CYS 337 7.224 1.557 3.861 205 HB2 CYS 337 HB2 CYS 337 5.764 -0.309 4.203 206 HB3 CYS 337 HB1 CYS 337 4.343 0.613 3.726 207 H GLU 338 HN GLU 338 7.580 2.311 1.862 208 HA GLU 338 HA GLU 338 6.788 4.848 1.045 209 HB2 GLU 338 HB2 GLU 338 7.979 2.573 -0.610 210 HB3 GLU 338 HB1 GLU 338 7.927 4.256 -1.124 211 HG2 GLU 338 HG2 GLU 338 9.403 3.256 1.330 212 HG3 GLU 338 HG1 GLU 338 10.148 3.528 -0.246 213 H PHE 339 HN PHE 339 5.874 1.698 -0.297 214 HA PHE 339 HA PHE 339 3.860 2.842 -2.055 215 HB2 PHE 339 HB2 PHE 339 4.654 -0.064 -1.561 216 HB3 PHE 339 HB1 PHE 339 3.579 0.501 -2.838 217 HD1 PHE 339 HD1 PHE 339 4.539 2.120 -4.608 218 HD2 PHE 339 HD2 PHE 339 7.024 -0.117 -1.932 219 HE1 PHE 339 HE1 PHE 339 6.471 2.474 -6.092 220 HE2 PHE 339 HE2 PHE 339 8.945 0.241 -3.427 221 HZ PHE 339 HZ PHE 339 8.672 1.536 -5.505 222 H VAL 340 HN VAL 340 1.690 2.606 -1.841 223 HA VAL 340 HA VAL 340 0.631 2.317 0.831 224 HB VAL 340 HB VAL 340 -0.166 4.120 -0.636 225 HG11 VAL 340 HG11 VAL 340 -1.337 1.957 -2.405 226 HG12 VAL 340 HG12 VAL 340 0.045 2.984 -2.794 227 HG13 VAL 340 HG13 VAL 340 -1.550 3.694 -2.595 228 HG21 VAL 340 HG21 VAL 340 -2.605 3.889 -0.328 229 HG22 VAL 340 HG22 VAL 340 -1.724 3.343 1.101 230 HG23 VAL 340 HG23 VAL 340 -2.409 2.160 -0.015 231 H HIS 341 HN HIS 341 -0.805 0.777 1.535 232 HA HIS 341 HA HIS 341 -0.652 -1.823 0.190 233 HB2 HIS 341 HB2 HIS 341 -1.734 -1.280 2.979 234 HB3 HIS 341 HB1 HIS 341 -1.056 -2.775 2.346 235 HD1 HIS 341 HD1 HIS 341 -0.140 -0.039 4.457 236 HD2 HIS 341 HD2 HIS 341 1.803 -2.254 1.537 237 HE1 HIS 341 HE1 HIS 341 2.324 0.437 4.728 238 HA PRO 342 HA PRO 342 -5.105 -1.881 -0.913 239 HB2 PRO 342 HB2 PRO 342 -5.595 -4.601 -0.443 240 HB3 PRO 342 HB1 PRO 342 -4.892 -3.947 -1.935 241 HG2 PRO 342 HG2 PRO 342 -3.481 -5.131 0.437 242 HG3 PRO 342 HG1 PRO 342 -3.197 -5.411 -1.298 243 HD2 PRO 342 HD2 PRO 342 -1.595 -3.773 0.066 244 HD3 PRO 342 HD1 PRO 342 -2.103 -3.341 -1.585 245 H THR 343 HN THR 343 -3.823 -2.966 2.147 246 HA THR 343 HA THR 343 -6.288 -3.087 3.608 247 HB THR 343 HB THR 343 -4.769 -3.039 5.616 248 HG1 THR 343 HG1 THR 343 -3.153 -1.655 4.595 249 HG21 THR 343 HG21 THR 343 -3.572 -5.145 5.153 250 HG22 THR 343 HG22 THR 343 -3.835 -4.931 3.422 251 HG23 THR 343 HG23 THR 343 -5.210 -5.207 4.495 252 H ASP 344 HN ASP 344 -4.122 -0.545 2.648 253 HA ASP 344 HA ASP 344 -5.037 1.460 4.519 254 HB2 ASP 344 HB2 ASP 344 -3.412 1.786 1.954 255 HB3 ASP 344 HB1 ASP 344 -3.641 3.022 3.185 256 H LYS 345 HN LYS 345 -6.618 2.914 4.203 257 HA LYS 345 HA LYS 345 -7.719 3.561 1.561 258 HB2 LYS 345 HB2 LYS 345 -9.017 1.566 2.476 259 HB3 LYS 345 HB1 LYS 345 -9.524 2.568 3.828 260 HG2 LYS 345 HG2 LYS 345 -10.850 3.976 2.391 261 HG3 LYS 345 HG1 LYS 345 -10.139 3.269 0.941 262 HD2 LYS 345 HD2 LYS 345 -12.349 2.355 1.161 263 HD3 LYS 345 HD1 LYS 345 -11.214 1.070 1.560 264 HE2 LYS 345 HE2 LYS 345 -12.663 2.748 3.638 265 HE3 LYS 345 HE1 LYS 345 -13.253 1.203 3.036 266 HZ1 LYS 345 HZ1 LYS 345 -10.746 1.660 4.561 267 HZ2 LYS 345 HZ2 LYS 345 -11.179 0.184 3.863 268 HZ3 LYS 345 HZ3 LYS 345 -12.135 0.849 5.088 269 H GLU 346 HN GLU 346 -6.172 4.674 3.891 270 HA GLU 346 HA GLU 346 -7.886 6.733 5.064 271 HB2 GLU 346 HB2 GLU 346 -5.715 7.175 6.428 272 HB3 GLU 346 HB1 GLU 346 -6.604 5.693 6.738 273 HG2 GLU 346 HG2 GLU 346 -4.959 4.494 5.211 274 HG3 GLU 346 HG1 GLU 346 -4.027 5.989 5.166 Start of MODEL 16 1 H1 ASN 312 HT1 ASN 312 -6.738 15.636 -2.461 2 H2 ASN 312 HT2 ASN 312 -7.459 16.918 -3.291 3 H3 ASN 312 HT3 ASN 312 -5.968 17.137 -2.532 4 HA ASN 312 HA ASN 312 -6.470 15.307 -4.803 5 HB2 ASN 312 HB2 ASN 312 -5.193 18.076 -4.699 6 HB3 ASN 312 HB1 ASN 312 -4.992 16.975 -6.063 7 HD21 ASN 312 HD21 ASN 312 -5.978 18.530 -7.427 8 HD22 ASN 312 HD22 ASN 312 -7.692 18.754 -7.425 9 H ASN 313 HN ASN 313 -5.063 13.644 -4.748 10 HA ASN 313 HA ASN 313 -2.217 14.094 -4.238 11 HB2 ASN 313 HB2 ASN 313 -1.934 12.550 -2.464 12 HB3 ASN 313 HB1 ASN 313 -3.421 13.362 -2.004 13 HD21 ASN 313 HD21 ASN 313 -5.411 12.194 -2.241 14 HD22 ASN 313 HD22 ASN 313 -5.432 10.474 -2.316 15 H LYS 314 HN LYS 314 -1.040 11.905 -4.659 16 HA LYS 314 HA LYS 314 -2.406 10.141 -6.576 17 HB2 LYS 314 HB2 LYS 314 -1.213 12.075 -7.799 18 HB3 LYS 314 HB1 LYS 314 0.298 11.362 -7.256 19 HG2 LYS 314 HG2 LYS 314 0.108 10.520 -9.425 20 HG3 LYS 314 HG1 LYS 314 -0.541 9.200 -8.463 21 HD2 LYS 314 HD2 LYS 314 -2.242 11.265 -9.937 22 HD3 LYS 314 HD1 LYS 314 -1.841 9.669 -10.563 23 HE2 LYS 314 HE2 LYS 314 -3.515 10.255 -8.097 24 HE3 LYS 314 HE1 LYS 314 -4.116 9.680 -9.647 25 HZ1 LYS 314 HZ1 LYS 314 -3.947 7.890 -8.045 26 HZ2 LYS 314 HZ2 LYS 314 -2.301 8.185 -7.836 27 HZ3 LYS 314 HZ3 LYS 314 -2.872 7.627 -9.321 28 H TYR 315 HN TYR 315 -1.170 10.092 -3.763 29 HA TYR 315 HA TYR 315 1.071 8.395 -3.671 30 HB2 TYR 315 HB2 TYR 315 -1.228 8.796 -1.723 31 HB3 TYR 315 HB1 TYR 315 0.147 7.757 -1.362 32 HD1 TYR 315 HD1 TYR 315 2.380 8.717 -0.967 33 HD2 TYR 315 HD2 TYR 315 -0.952 11.272 -1.728 34 HE1 TYR 315 HE1 TYR 315 3.679 10.636 -0.172 35 HE2 TYR 315 HE2 TYR 315 0.358 13.209 -0.925 36 HH TYR 315 HH TYR 315 3.740 13.047 -0.383 37 H LYS 316 HN LYS 316 -2.348 7.652 -4.109 38 HA LYS 316 HA LYS 316 -1.888 4.775 -4.013 39 HB2 LYS 316 HB2 LYS 316 -4.358 6.482 -4.423 40 HB3 LYS 316 HB1 LYS 316 -4.381 4.749 -4.725 41 HG2 LYS 316 HG2 LYS 316 -5.240 5.129 -2.517 42 HG3 LYS 316 HG1 LYS 316 -3.666 4.355 -2.367 43 HD2 LYS 316 HD2 LYS 316 -3.729 6.048 -0.676 44 HD3 LYS 316 HD1 LYS 316 -2.695 6.696 -1.952 45 HE2 LYS 316 HE2 LYS 316 -4.259 8.403 -1.087 46 HE3 LYS 316 HE1 LYS 316 -4.568 8.053 -2.791 47 HZ1 LYS 316 HZ1 LYS 316 -6.572 8.193 -1.322 48 HZ2 LYS 316 HZ2 LYS 316 -6.063 6.756 -0.591 49 HZ3 LYS 316 HZ3 LYS 316 -6.444 6.781 -2.234 50 H THR 317 HN THR 317 -0.466 4.394 -5.656 51 HA THR 317 HA THR 317 -1.441 4.785 -8.423 52 HB THR 317 HB THR 317 0.595 6.080 -8.068 53 HG1 THR 317 HG1 THR 317 0.875 5.483 -10.052 54 HG21 THR 317 HG21 THR 317 2.774 5.051 -7.536 55 HG22 THR 317 HG22 THR 317 1.998 3.486 -7.294 56 HG23 THR 317 HG23 THR 317 1.639 4.825 -6.202 57 H LYS 318 HN LYS 318 0.104 2.542 -6.129 58 HA LYS 318 HA LYS 318 -1.101 0.288 -7.360 59 HB2 LYS 318 HB2 LYS 318 1.082 -0.976 -7.833 60 HB3 LYS 318 HB1 LYS 318 0.605 0.248 -8.995 61 HG2 LYS 318 HG2 LYS 318 2.956 0.431 -8.749 62 HG3 LYS 318 HG1 LYS 318 2.263 1.816 -7.907 63 HD2 LYS 318 HD2 LYS 318 2.665 0.754 -5.744 64 HD3 LYS 318 HD1 LYS 318 3.223 -0.725 -6.532 65 HE2 LYS 318 HE2 LYS 318 4.556 1.990 -6.730 66 HE3 LYS 318 HE1 LYS 318 5.095 0.662 -5.706 67 HZ1 LYS 318 HZ1 LYS 318 6.399 0.684 -7.671 68 HZ2 LYS 318 HZ2 LYS 318 5.049 0.727 -8.674 69 HZ3 LYS 318 HZ3 LYS 318 5.386 -0.660 -7.774 70 H LEU 319 HN LEU 319 -1.040 -1.581 -6.109 71 HA LEU 319 HA LEU 319 -0.534 -1.225 -3.310 72 HB2 LEU 319 HB2 LEU 319 -1.395 -3.409 -2.941 73 HB3 LEU 319 HB1 LEU 319 -2.386 -2.680 -4.191 74 HG LEU 319 HG LEU 319 -0.192 -4.736 -4.741 75 HD11 LEU 319 HD11 LEU 319 -3.190 -5.187 -4.579 76 HD12 LEU 319 HD12 LEU 319 -1.989 -5.775 -3.426 77 HD13 LEU 319 HD13 LEU 319 -1.986 -6.378 -5.082 78 HD21 LEU 319 HD21 LEU 319 -2.387 -3.680 -6.554 79 HD22 LEU 319 HD22 LEU 319 -1.236 -4.955 -6.964 80 HD23 LEU 319 HD23 LEU 319 -0.668 -3.308 -6.688 81 H CYS 320 HN CYS 320 0.946 -2.456 -1.983 82 HA CYS 320 HA CYS 320 3.590 -2.692 -2.874 83 HB2 CYS 320 HB2 CYS 320 2.287 -4.011 -0.458 84 HB3 CYS 320 HB1 CYS 320 4.024 -3.836 -0.701 85 H LYS 321 HN LYS 321 4.874 -4.387 -3.511 86 HA LYS 321 HA LYS 321 3.824 -6.751 -4.671 87 HB2 LYS 321 HB2 LYS 321 6.178 -7.441 -4.911 88 HB3 LYS 321 HB1 LYS 321 5.965 -5.757 -5.370 89 HG2 LYS 321 HG2 LYS 321 6.927 -5.012 -3.247 90 HG3 LYS 321 HG1 LYS 321 7.054 -6.685 -2.698 91 HD2 LYS 321 HD2 LYS 321 9.241 -5.962 -3.440 92 HD3 LYS 321 HD1 LYS 321 8.626 -7.153 -4.583 93 HE2 LYS 321 HE2 LYS 321 7.993 -5.308 -6.129 94 HE3 LYS 321 HE1 LYS 321 8.661 -4.137 -4.988 95 HZ1 LYS 321 HZ1 LYS 321 10.829 -5.202 -5.260 96 HZ2 LYS 321 HZ2 LYS 321 10.238 -4.628 -6.728 97 HZ3 LYS 321 HZ3 LYS 321 10.181 -6.277 -6.384 98 H ASN 322 HN ASN 322 4.916 -5.952 -1.456 99 HA ASN 322 HA ASN 322 5.127 -8.483 -0.234 100 HB2 ASN 322 HB2 ASN 322 4.093 -5.866 0.974 101 HB3 ASN 322 HB1 ASN 322 4.730 -7.240 1.880 102 HD21 ASN 322 HD21 ASN 322 6.900 -7.369 2.190 103 HD22 ASN 322 HD22 ASN 322 8.047 -6.240 1.568 104 H PHE 323 HN PHE 323 2.390 -6.319 -0.803 105 HA PHE 323 HA PHE 323 0.440 -8.054 0.520 106 HB2 PHE 323 HB2 PHE 323 0.309 -5.254 -0.665 107 HB3 PHE 323 HB1 PHE 323 -1.126 -6.096 -0.095 108 HD1 PHE 323 HD1 PHE 323 2.337 -5.295 1.200 109 HD2 PHE 323 HD2 PHE 323 -1.846 -5.525 2.047 110 HE1 PHE 323 HE1 PHE 323 2.739 -4.450 3.472 111 HE2 PHE 323 HE2 PHE 323 -1.422 -4.668 4.316 112 HZ PHE 323 HZ PHE 323 0.867 -4.132 5.025 113 H ALA 324 HN ALA 324 1.806 -8.176 -2.434 114 HA ALA 324 HA ALA 324 -0.404 -8.391 -4.244 115 HB1 ALA 324 HB1 ALA 324 2.382 -9.596 -4.448 116 HB2 ALA 324 HB2 ALA 324 1.904 -8.000 -5.028 117 HB3 ALA 324 HB3 ALA 324 1.220 -9.448 -5.772 118 H ARG 325 HN ARG 325 -1.120 -10.429 -5.289 119 HA ARG 325 HA ARG 325 -2.016 -12.295 -3.326 120 HB2 ARG 325 HB2 ARG 325 -3.343 -11.578 -5.335 121 HB3 ARG 325 HB1 ARG 325 -2.241 -12.490 -6.361 122 HG2 ARG 325 HG2 ARG 325 -4.364 -13.695 -5.920 123 HG3 ARG 325 HG1 ARG 325 -2.954 -14.588 -5.338 124 HD2 ARG 325 HD2 ARG 325 -4.865 -14.644 -3.739 125 HD3 ARG 325 HD1 ARG 325 -3.423 -13.907 -3.036 126 HE ARG 325 HE ARG 325 -5.565 -12.223 -4.175 127 HH11 ARG 325 HH11 ARG 325 -3.681 -13.141 -1.337 128 HH12 ARG 325 HH12 ARG 325 -4.306 -11.834 -0.384 129 HH21 ARG 325 HH21 ARG 325 -6.351 -10.551 -2.894 130 HH22 ARG 325 HH22 ARG 325 -5.803 -10.379 -1.253 131 H GLY 326 HN GLY 326 -0.841 -13.930 -2.510 132 HA2 GLY 326 HA2 GLY 326 0.419 -15.969 -2.706 133 HA3 GLY 326 HA1 GLY 326 1.156 -15.357 -4.182 134 H GLY 327 HN GLY 327 1.050 -12.785 -2.157 135 HA2 GLY 327 HA2 GLY 327 3.840 -12.938 -1.352 136 HA3 GLY 327 HA1 GLY 327 2.747 -11.575 -1.155 137 H THR 328 HN THR 328 4.218 -11.877 0.922 138 HA THR 328 HA THR 328 3.167 -13.645 2.962 139 HB THR 328 HB THR 328 4.704 -12.294 4.466 140 HG1 THR 328 HG1 THR 328 6.128 -10.811 3.293 141 HG21 THR 328 HG21 THR 328 5.986 -13.371 1.920 142 HG22 THR 328 HG22 THR 328 5.569 -14.322 3.347 143 HG23 THR 328 HG23 THR 328 6.824 -13.086 3.449 144 H GLY 329 HN GLY 329 2.822 -10.310 1.970 145 HA2 GLY 329 HA2 GLY 329 1.000 -8.907 2.302 146 HA3 GLY 329 HA1 GLY 329 0.463 -9.900 3.650 147 H PHE 330 HN PHE 330 3.744 -9.402 4.001 148 HA PHE 330 HA PHE 330 3.305 -7.201 5.936 149 HB2 PHE 330 HB2 PHE 330 3.904 -9.289 7.052 150 HB3 PHE 330 HB1 PHE 330 5.277 -9.530 5.980 151 HD1 PHE 330 HD1 PHE 330 3.947 -7.156 8.575 152 HD2 PHE 330 HD2 PHE 330 7.428 -8.755 6.657 153 HE1 PHE 330 HE1 PHE 330 5.394 -5.944 10.163 154 HE2 PHE 330 HE2 PHE 330 8.859 -7.542 8.254 155 HZ PHE 330 HZ PHE 330 7.844 -6.139 10.005 156 H CYS 331 HN CYS 331 4.141 -5.310 5.228 157 HA CYS 331 HA CYS 331 6.473 -5.100 3.525 158 HB2 CYS 331 HB2 CYS 331 4.732 -3.050 4.937 159 HB3 CYS 331 HB1 CYS 331 6.177 -2.594 4.063 160 HA PRO 332 HA PRO 332 9.473 -5.230 6.920 161 HB2 PRO 332 HB2 PRO 332 11.606 -3.980 5.671 162 HB3 PRO 332 HB1 PRO 332 11.119 -5.648 5.325 163 HG2 PRO 332 HG2 PRO 332 10.467 -3.155 3.788 164 HG3 PRO 332 HG1 PRO 332 10.999 -4.742 3.182 165 HD2 PRO 332 HD2 PRO 332 8.401 -4.022 3.116 166 HD3 PRO 332 HD1 PRO 332 8.888 -5.704 3.441 167 H TYR 333 HN TYR 333 8.629 -2.226 5.318 168 HA TYR 333 HA TYR 333 9.698 -0.484 7.384 169 HB2 TYR 333 HB2 TYR 333 7.821 0.277 5.110 170 HB3 TYR 333 HB1 TYR 333 8.876 1.345 6.026 171 HD1 TYR 333 HD1 TYR 333 8.616 -0.907 3.180 172 HD2 TYR 333 HD2 TYR 333 11.392 1.232 5.641 173 HE1 TYR 333 HE1 TYR 333 10.357 -1.177 1.462 174 HE2 TYR 333 HE2 TYR 333 13.120 0.955 3.916 175 HH TYR 333 HH TYR 333 12.456 -0.120 0.770 176 H GLY 334 HN GLY 334 6.842 -2.282 6.842 177 HA2 GLY 334 HA2 GLY 334 4.898 -2.495 8.028 178 HA3 GLY 334 HA1 GLY 334 5.480 -1.280 9.155 179 H LEU 335 HN LEU 335 3.897 0.210 9.308 180 HA LEU 335 HA LEU 335 2.142 0.989 7.167 181 HB2 LEU 335 HB2 LEU 335 1.440 1.040 9.547 182 HB3 LEU 335 HB1 LEU 335 2.611 2.307 9.872 183 HG LEU 335 HG LEU 335 1.334 3.788 8.237 184 HD11 LEU 335 HD11 LEU 335 0.172 2.051 6.940 185 HD12 LEU 335 HD12 LEU 335 -0.979 3.185 7.644 186 HD13 LEU 335 HD13 LEU 335 -0.760 1.590 8.368 187 HD21 LEU 335 HD21 LEU 335 -0.460 4.332 9.829 188 HD22 LEU 335 HD22 LEU 335 1.070 4.029 10.652 189 HD23 LEU 335 HD23 LEU 335 -0.193 2.795 10.657 190 H ARG 336 HN ARG 336 5.227 2.070 8.355 191 HA ARG 336 HA ARG 336 5.277 4.657 7.127 192 HB2 ARG 336 HB2 ARG 336 7.525 2.879 8.143 193 HB3 ARG 336 HB1 ARG 336 7.794 4.483 7.465 194 HG2 ARG 336 HG2 ARG 336 6.208 5.360 9.274 195 HG3 ARG 336 HG1 ARG 336 6.355 3.769 10.029 196 HD2 ARG 336 HD2 ARG 336 7.938 5.362 11.028 197 HD3 ARG 336 HD1 ARG 336 8.813 4.078 10.180 198 HE ARG 336 HE ARG 336 8.376 6.293 8.453 199 HH11 ARG 336 HH11 ARG 336 11.709 6.437 10.700 200 HH12 ARG 336 HH12 ARG 336 10.428 5.359 11.156 201 HH21 ARG 336 HH21 ARG 336 10.050 7.697 7.879 202 HH22 ARG 336 HH22 ARG 336 11.496 7.764 8.840 203 H CYS 337 HN CYS 337 5.347 1.582 5.748 204 HA CYS 337 HA CYS 337 7.080 1.883 3.562 205 HB2 CYS 337 HB2 CYS 337 6.114 -0.259 3.960 206 HB3 CYS 337 HB1 CYS 337 4.484 0.368 3.921 207 H GLU 338 HN GLU 338 7.095 3.347 2.036 208 HA GLU 338 HA GLU 338 5.072 5.276 1.545 209 HB2 GLU 338 HB2 GLU 338 6.495 5.989 -0.348 210 HB3 GLU 338 HB1 GLU 338 7.441 5.754 1.120 211 HG2 GLU 338 HG2 GLU 338 8.206 3.566 0.288 212 HG3 GLU 338 HG1 GLU 338 7.240 3.776 -1.172 213 H PHE 339 HN PHE 339 5.805 2.165 0.060 214 HA PHE 339 HA PHE 339 4.084 2.399 -2.210 215 HB2 PHE 339 HB2 PHE 339 4.945 -0.143 -0.752 216 HB3 PHE 339 HB1 PHE 339 4.365 -0.032 -2.409 217 HD1 PHE 339 HD1 PHE 339 5.826 1.082 -4.165 218 HD2 PHE 339 HD2 PHE 339 7.287 0.270 -0.221 219 HE1 PHE 339 HE1 PHE 339 8.144 1.385 -4.952 220 HE2 PHE 339 HE2 PHE 339 9.595 0.573 -1.025 221 HZ PHE 339 HZ PHE 339 10.026 1.132 -3.384 222 H VAL 340 HN VAL 340 1.929 2.570 -2.107 223 HA VAL 340 HA VAL 340 0.584 2.524 0.387 224 HB VAL 340 HB VAL 340 -0.063 4.110 -1.385 225 HG11 VAL 340 HG11 VAL 340 -1.417 3.394 -3.336 226 HG12 VAL 340 HG12 VAL 340 -1.124 1.709 -2.911 227 HG13 VAL 340 HG13 VAL 340 0.223 2.743 -3.389 228 HG21 VAL 340 HG21 VAL 340 -1.691 3.568 0.375 229 HG22 VAL 340 HG22 VAL 340 -2.331 2.249 -0.604 230 HG23 VAL 340 HG23 VAL 340 -2.515 3.915 -1.146 231 H HIS 341 HN HIS 341 -0.825 1.140 1.231 232 HA HIS 341 HA HIS 341 -0.788 -1.637 0.342 233 HB2 HIS 341 HB2 HIS 341 -1.904 -0.472 2.932 234 HB3 HIS 341 HB1 HIS 341 -1.506 -2.154 2.610 235 HD1 HIS 341 HD1 HIS 341 -0.193 0.327 4.633 236 HD2 HIS 341 HD2 HIS 341 1.513 -1.933 1.606 237 HE1 HIS 341 HE1 HIS 341 2.313 0.496 4.945 238 HA PRO 342 HA PRO 342 -4.984 -1.487 -1.219 239 HB2 PRO 342 HB2 PRO 342 -5.481 -4.277 -0.380 240 HB3 PRO 342 HB1 PRO 342 -5.290 -3.611 -2.009 241 HG2 PRO 342 HG2 PRO 342 -3.435 -5.234 -0.853 242 HG3 PRO 342 HG1 PRO 342 -3.038 -4.005 -2.071 243 HD2 PRO 342 HD2 PRO 342 -2.695 -3.889 0.908 244 HD3 PRO 342 HD1 PRO 342 -1.630 -3.273 -0.377 245 H THR 343 HN THR 343 -4.283 -1.886 2.068 246 HA THR 343 HA THR 343 -6.985 -1.994 3.095 247 HB THR 343 HB THR 343 -5.762 -1.447 5.302 248 HG1 THR 343 HG1 THR 343 -3.569 -1.374 5.270 249 HG21 THR 343 HG21 THR 343 -4.838 -3.912 3.778 250 HG22 THR 343 HG22 THR 343 -6.335 -3.770 4.702 251 HG23 THR 343 HG23 THR 343 -4.781 -3.692 5.531 252 H ASP 344 HN ASP 344 -5.279 0.440 1.573 253 HA ASP 344 HA ASP 344 -5.617 2.720 3.190 254 HB2 ASP 344 HB2 ASP 344 -4.086 2.693 1.257 255 HB3 ASP 344 HB1 ASP 344 -5.436 2.491 0.151 256 H LYS 345 HN LYS 345 -7.255 4.067 3.531 257 HA LYS 345 HA LYS 345 -9.826 3.850 2.074 258 HB2 LYS 345 HB2 LYS 345 -9.276 3.695 5.014 259 HB3 LYS 345 HB1 LYS 345 -10.594 4.769 4.580 260 HG2 LYS 345 HG2 LYS 345 -11.534 2.632 5.098 261 HG3 LYS 345 HG1 LYS 345 -11.680 2.876 3.356 262 HD2 LYS 345 HD2 LYS 345 -9.697 1.424 3.001 263 HD3 LYS 345 HD1 LYS 345 -9.581 1.163 4.744 264 HE2 LYS 345 HE2 LYS 345 -11.821 0.085 4.710 265 HE3 LYS 345 HE1 LYS 345 -11.902 0.333 2.963 266 HZ1 LYS 345 HZ1 LYS 345 -11.184 -1.891 3.448 267 HZ2 LYS 345 HZ2 LYS 345 -9.920 -1.329 4.414 268 HZ3 LYS 345 HZ3 LYS 345 -9.902 -1.042 2.752 269 H GLU 346 HN GLU 346 -7.373 5.715 1.903 270 HA GLU 346 HA GLU 346 -8.166 8.249 2.975 271 HB2 GLU 346 HB2 GLU 346 -5.805 7.650 2.627 272 HB3 GLU 346 HB1 GLU 346 -6.064 7.560 0.889 273 HG2 GLU 346 HG2 GLU 346 -6.484 9.951 0.773 274 HG3 GLU 346 HG1 GLU 346 -6.405 10.099 2.528 Start of MODEL 17 1 H1 ASN 312 HT1 ASN 312 -3.207 13.247 -14.145 2 H2 ASN 312 HT2 ASN 312 -2.121 11.971 -13.966 3 H3 ASN 312 HT3 ASN 312 -1.545 13.515 -14.312 4 HA ASN 312 HA ASN 312 -2.333 14.324 -12.193 5 HB2 ASN 312 HB2 ASN 312 -3.056 11.394 -11.704 6 HB3 ASN 312 HB1 ASN 312 -3.136 12.676 -10.497 7 HD21 ASN 312 HD21 ASN 312 -5.390 12.063 -10.251 8 HD22 ASN 312 HD22 ASN 312 -6.572 12.623 -11.380 9 H ASN 313 HN ASN 313 -0.407 14.795 -11.312 10 HA ASN 313 HA ASN 313 1.925 13.158 -11.735 11 HB2 ASN 313 HB2 ASN 313 1.584 15.771 -10.182 12 HB3 ASN 313 HB1 ASN 313 3.131 15.029 -10.584 13 HD21 ASN 313 HD21 ASN 313 3.766 16.907 -11.701 14 HD22 ASN 313 HD22 ASN 313 3.132 17.306 -13.256 15 H LYS 314 HN LYS 314 1.351 11.252 -10.540 16 HA LYS 314 HA LYS 314 1.876 11.389 -7.652 17 HB2 LYS 314 HB2 LYS 314 -0.651 10.176 -8.860 18 HB3 LYS 314 HB1 LYS 314 -0.065 9.732 -7.261 19 HG2 LYS 314 HG2 LYS 314 -0.304 12.084 -6.519 20 HG3 LYS 314 HG1 LYS 314 -0.899 12.517 -8.128 21 HD2 LYS 314 HD2 LYS 314 -2.852 11.052 -7.841 22 HD3 LYS 314 HD1 LYS 314 -2.247 10.509 -6.271 23 HE2 LYS 314 HE2 LYS 314 -3.074 13.351 -6.957 24 HE3 LYS 314 HE1 LYS 314 -4.031 12.191 -6.038 25 HZ1 LYS 314 HZ1 LYS 314 -1.382 13.251 -5.215 26 HZ2 LYS 314 HZ2 LYS 314 -2.347 12.192 -4.328 27 HZ3 LYS 314 HZ3 LYS 314 -2.878 13.765 -4.614 28 H TYR 315 HN TYR 315 3.016 9.725 -6.901 29 HA TYR 315 HA TYR 315 3.463 7.284 -8.530 30 HB2 TYR 315 HB2 TYR 315 5.518 8.606 -8.299 31 HB3 TYR 315 HB1 TYR 315 5.298 8.739 -6.561 32 HD1 TYR 315 HD1 TYR 315 6.584 7.296 -5.201 33 HD2 TYR 315 HD2 TYR 315 5.727 6.076 -9.207 34 HE1 TYR 315 HE1 TYR 315 7.988 5.296 -4.892 35 HE2 TYR 315 HE2 TYR 315 7.126 4.084 -8.898 36 HH TYR 315 HH TYR 315 8.256 3.088 -5.833 37 H LYS 316 HN LYS 316 2.065 8.555 -5.729 38 HA LYS 316 HA LYS 316 2.765 6.864 -3.636 39 HB2 LYS 316 HB2 LYS 316 1.590 9.048 -3.386 40 HB3 LYS 316 HB1 LYS 316 0.138 8.339 -4.073 41 HG2 LYS 316 HG2 LYS 316 -0.143 8.472 -1.684 42 HG3 LYS 316 HG1 LYS 316 0.011 6.775 -2.132 43 HD2 LYS 316 HD2 LYS 316 1.269 7.225 -0.094 44 HD3 LYS 316 HD1 LYS 316 2.373 6.797 -1.402 45 HE2 LYS 316 HE2 LYS 316 3.219 8.672 -0.030 46 HE3 LYS 316 HE1 LYS 316 2.972 9.149 -1.707 47 HZ1 LYS 316 HZ1 LYS 316 2.162 10.860 -0.255 48 HZ2 LYS 316 HZ2 LYS 316 1.202 9.770 0.599 49 HZ3 LYS 316 HZ3 LYS 316 0.822 10.142 -1.001 50 H THR 317 HN THR 317 -0.304 6.683 -5.560 51 HA THR 317 HA THR 317 -1.163 4.292 -4.278 52 HB THR 317 HB THR 317 -2.970 4.231 -6.053 53 HG1 THR 317 HG1 THR 317 -2.844 5.518 -7.729 54 HG21 THR 317 HG21 THR 317 -2.612 6.861 -4.554 55 HG22 THR 317 HG22 THR 317 -3.359 5.393 -3.916 56 HG23 THR 317 HG23 THR 317 -4.126 6.280 -5.236 57 H LYS 318 HN LYS 318 0.327 2.718 -4.444 58 HA LYS 318 HA LYS 318 0.310 1.125 -6.880 59 HB2 LYS 318 HB2 LYS 318 2.335 2.542 -7.141 60 HB3 LYS 318 HB1 LYS 318 2.924 2.021 -5.568 61 HG2 LYS 318 HG2 LYS 318 4.074 0.866 -7.399 62 HG3 LYS 318 HG1 LYS 318 3.171 -0.268 -6.388 63 HD2 LYS 318 HD2 LYS 318 1.380 -0.385 -8.049 64 HD3 LYS 318 HD1 LYS 318 2.173 0.845 -9.042 65 HE2 LYS 318 HE2 LYS 318 3.319 -1.888 -8.385 66 HE3 LYS 318 HE1 LYS 318 2.527 -1.447 -9.896 67 HZ1 LYS 318 HZ1 LYS 318 4.269 0.203 -10.272 68 HZ2 LYS 318 HZ2 LYS 318 4.919 -1.351 -10.110 69 HZ3 LYS 318 HZ3 LYS 318 5.028 -0.245 -8.841 70 H LEU 319 HN LEU 319 -0.405 -0.735 -6.165 71 HA LEU 319 HA LEU 319 -0.675 -1.569 -3.519 72 HB2 LEU 319 HB2 LEU 319 -1.997 -2.269 -5.570 73 HB3 LEU 319 HB1 LEU 319 -0.680 -3.332 -6.009 74 HG LEU 319 HG LEU 319 -2.081 -3.665 -3.325 75 HD11 LEU 319 HD11 LEU 319 -3.009 -4.896 -5.945 76 HD12 LEU 319 HD12 LEU 319 -3.864 -3.657 -5.025 77 HD13 LEU 319 HD13 LEU 319 -3.641 -5.261 -4.336 78 HD21 LEU 319 HD21 LEU 319 -1.439 -6.024 -3.573 79 HD22 LEU 319 HD22 LEU 319 -0.032 -4.968 -3.646 80 HD23 LEU 319 HD23 LEU 319 -0.682 -5.666 -5.130 81 H CYS 320 HN CYS 320 0.794 -2.343 -2.135 82 HA CYS 320 HA CYS 320 3.485 -2.804 -2.682 83 HB2 CYS 320 HB2 CYS 320 1.814 -3.686 -0.292 84 HB3 CYS 320 HB1 CYS 320 3.563 -3.800 -0.338 85 H LYS 321 HN LYS 321 4.562 -4.510 -3.481 86 HA LYS 321 HA LYS 321 3.505 -6.902 -4.435 87 HB2 LYS 321 HB2 LYS 321 5.860 -7.703 -4.560 88 HB3 LYS 321 HB1 LYS 321 5.685 -6.063 -5.169 89 HG2 LYS 321 HG2 LYS 321 6.699 -5.120 -3.196 90 HG3 LYS 321 HG1 LYS 321 6.640 -6.665 -2.351 91 HD2 LYS 321 HD2 LYS 321 8.912 -6.332 -3.005 92 HD3 LYS 321 HD1 LYS 321 8.268 -7.574 -4.071 93 HE2 LYS 321 HE2 LYS 321 8.511 -4.648 -4.848 94 HE3 LYS 321 HE1 LYS 321 9.756 -5.849 -5.170 95 HZ1 LYS 321 HZ1 LYS 321 8.082 -7.087 -6.487 96 HZ2 LYS 321 HZ2 LYS 321 8.438 -5.561 -7.111 97 HZ3 LYS 321 HZ3 LYS 321 7.000 -5.811 -6.271 98 H ASN 322 HN ASN 322 4.549 -6.033 -1.270 99 HA ASN 322 HA ASN 322 4.873 -8.520 0.016 100 HB2 ASN 322 HB2 ASN 322 3.842 -5.892 1.192 101 HB3 ASN 322 HB1 ASN 322 4.637 -7.195 2.080 102 HD21 ASN 322 HD21 ASN 322 6.894 -7.360 1.969 103 HD22 ASN 322 HD22 ASN 322 7.891 -6.176 1.211 104 H PHE 323 HN PHE 323 2.078 -6.385 -0.367 105 HA PHE 323 HA PHE 323 0.246 -8.211 0.984 106 HB2 PHE 323 HB2 PHE 323 -0.030 -5.402 -0.143 107 HB3 PHE 323 HB1 PHE 323 -1.434 -6.321 0.382 108 HD1 PHE 323 HD1 PHE 323 1.930 -5.200 1.674 109 HD2 PHE 323 HD2 PHE 323 -2.150 -6.094 2.619 110 HE1 PHE 323 HE1 PHE 323 2.297 -4.457 3.995 111 HE2 PHE 323 HE2 PHE 323 -1.768 -5.352 4.936 112 HZ PHE 323 HZ PHE 323 0.455 -4.540 5.626 113 H ALA 324 HN ALA 324 1.334 -7.732 -2.194 114 HA ALA 324 HA ALA 324 -0.928 -8.786 -3.622 115 HB1 ALA 324 HB1 ALA 324 2.020 -8.746 -4.393 116 HB2 ALA 324 HB2 ALA 324 0.830 -7.498 -4.769 117 HB3 ALA 324 HB3 ALA 324 0.672 -9.106 -5.478 118 H ARG 325 HN ARG 325 -1.271 -10.972 -4.322 119 HA ARG 325 HA ARG 325 -0.590 -12.999 -2.475 120 HB2 ARG 325 HB2 ARG 325 -1.846 -13.194 -5.243 121 HB3 ARG 325 HB1 ARG 325 -1.625 -14.593 -4.196 122 HG2 ARG 325 HG2 ARG 325 -3.283 -12.141 -3.518 123 HG3 ARG 325 HG1 ARG 325 -3.928 -13.682 -4.083 124 HD2 ARG 325 HD2 ARG 325 -3.159 -14.799 -2.062 125 HD3 ARG 325 HD1 ARG 325 -2.320 -13.339 -1.527 126 HE ARG 325 HE ARG 325 -5.006 -12.696 -1.892 127 HH11 ARG 325 HH11 ARG 325 -3.117 -14.730 0.300 128 HH12 ARG 325 HH12 ARG 325 -4.252 -14.562 1.600 129 HH21 ARG 325 HH21 ARG 325 -6.428 -12.434 -0.149 130 HH22 ARG 325 HH22 ARG 325 -6.121 -13.265 1.346 131 H GLY 326 HN GLY 326 1.146 -14.259 -2.304 132 HA2 GLY 326 HA2 GLY 326 3.008 -15.531 -3.213 133 HA3 GLY 326 HA1 GLY 326 3.157 -14.343 -4.502 134 H GLY 327 HN GLY 327 2.503 -12.420 -2.061 135 HA2 GLY 327 HA2 GLY 327 5.279 -11.773 -1.413 136 HA3 GLY 327 HA1 GLY 327 3.854 -10.804 -1.071 137 H THR 328 HN THR 328 5.632 -10.973 0.909 138 HA THR 328 HA THR 328 5.340 -13.133 2.764 139 HB THR 328 HB THR 328 6.492 -11.501 4.349 140 HG1 THR 328 HG1 THR 328 6.857 -9.447 3.674 141 HG21 THR 328 HG21 THR 328 7.764 -11.768 1.589 142 HG22 THR 328 HG22 THR 328 7.890 -12.940 2.901 143 HG23 THR 328 HG23 THR 328 8.620 -11.344 3.078 144 H GLY 329 HN GLY 329 3.375 -10.463 2.011 145 HA2 GLY 329 HA2 GLY 329 1.325 -9.760 2.791 146 HA3 GLY 329 HA1 GLY 329 1.471 -10.853 4.158 147 H PHE 330 HN PHE 330 4.293 -9.452 4.370 148 HA PHE 330 HA PHE 330 3.415 -7.122 5.960 149 HB2 PHE 330 HB2 PHE 330 5.812 -8.981 6.391 150 HB3 PHE 330 HB1 PHE 330 5.499 -7.520 7.324 151 HD1 PHE 330 HD1 PHE 330 3.835 -7.493 9.089 152 HD2 PHE 330 HD2 PHE 330 4.316 -10.978 6.652 153 HE1 PHE 330 HE1 PHE 330 2.470 -8.797 10.673 154 HE2 PHE 330 HE2 PHE 330 2.949 -12.267 8.241 155 HZ PHE 330 HZ PHE 330 2.026 -11.182 10.249 156 H CYS 331 HN CYS 331 4.043 -5.212 4.994 157 HA CYS 331 HA CYS 331 6.321 -4.943 3.311 158 HB2 CYS 331 HB2 CYS 331 4.758 -2.905 4.930 159 HB3 CYS 331 HB1 CYS 331 6.054 -2.487 3.845 160 HA PRO 332 HA PRO 332 9.379 -5.528 6.617 161 HB2 PRO 332 HB2 PRO 332 11.244 -4.141 4.702 162 HB3 PRO 332 HB1 PRO 332 11.390 -5.739 5.467 163 HG2 PRO 332 HG2 PRO 332 10.784 -5.565 2.894 164 HG3 PRO 332 HG1 PRO 332 9.974 -6.771 3.923 165 HD2 PRO 332 HD2 PRO 332 8.932 -4.094 2.986 166 HD3 PRO 332 HD1 PRO 332 8.117 -5.677 3.016 167 H TYR 333 HN TYR 333 8.694 -2.538 5.060 168 HA TYR 333 HA TYR 333 10.056 -0.829 6.949 169 HB2 TYR 333 HB2 TYR 333 8.154 -0.186 4.658 170 HB3 TYR 333 HB1 TYR 333 9.131 0.985 5.541 171 HD1 TYR 333 HD1 TYR 333 9.246 -1.825 3.118 172 HD2 TYR 333 HD2 TYR 333 11.513 1.248 5.038 173 HE1 TYR 333 HE1 TYR 333 11.081 -2.185 1.523 174 HE2 TYR 333 HE2 TYR 333 13.347 0.887 3.442 175 HH TYR 333 HH TYR 333 13.017 -0.963 0.605 176 H GLY 334 HN GLY 334 6.896 -2.249 6.556 177 HA2 GLY 334 HA2 GLY 334 5.069 -2.317 7.932 178 HA3 GLY 334 HA1 GLY 334 6.095 -1.644 9.184 179 H LEU 335 HN LEU 335 5.603 0.334 9.919 180 HA LEU 335 HA LEU 335 3.467 1.922 8.852 181 HB2 LEU 335 HB2 LEU 335 4.053 1.852 11.297 182 HB3 LEU 335 HB1 LEU 335 5.552 2.696 10.942 183 HG LEU 335 HG LEU 335 4.148 4.645 10.079 184 HD11 LEU 335 HD11 LEU 335 1.798 4.789 10.749 185 HD12 LEU 335 HD12 LEU 335 1.848 3.124 11.335 186 HD13 LEU 335 HD13 LEU 335 2.066 3.465 9.616 187 HD21 LEU 335 HD21 LEU 335 5.179 4.703 12.297 188 HD22 LEU 335 HD22 LEU 335 3.769 3.903 12.995 189 HD23 LEU 335 HD23 LEU 335 3.616 5.521 12.306 190 H ARG 336 HN ARG 336 6.962 1.958 8.657 191 HA ARG 336 HA ARG 336 7.263 4.567 7.462 192 HB2 ARG 336 HB2 ARG 336 9.277 2.282 7.658 193 HB3 ARG 336 HB1 ARG 336 9.648 3.967 7.319 194 HG2 ARG 336 HG2 ARG 336 8.562 2.879 9.942 195 HG3 ARG 336 HG1 ARG 336 10.230 3.356 9.623 196 HD2 ARG 336 HD2 ARG 336 9.510 5.670 9.260 197 HD3 ARG 336 HD1 ARG 336 7.830 5.201 9.534 198 HE ARG 336 HE ARG 336 9.332 4.443 11.773 199 HH11 ARG 336 HH11 ARG 336 8.257 7.418 10.206 200 HH12 ARG 336 HH12 ARG 336 8.251 8.322 11.696 201 HH21 ARG 336 HH21 ARG 336 9.327 5.660 13.702 202 HH22 ARG 336 HH22 ARG 336 8.851 7.331 13.654 203 H CYS 337 HN CYS 337 5.828 2.032 6.113 204 HA CYS 337 HA CYS 337 7.131 1.563 3.653 205 HB2 CYS 337 HB2 CYS 337 5.342 0.087 4.609 206 HB3 CYS 337 HB1 CYS 337 4.152 1.342 4.275 207 H GLU 338 HN GLU 338 6.893 2.492 1.653 208 HA GLU 338 HA GLU 338 5.659 5.176 1.499 209 HB2 GLU 338 HB2 GLU 338 7.841 3.828 -0.145 210 HB3 GLU 338 HB1 GLU 338 7.135 5.383 -0.579 211 HG2 GLU 338 HG2 GLU 338 7.994 6.426 1.411 212 HG3 GLU 338 HG1 GLU 338 8.465 4.873 2.094 213 H PHE 339 HN PHE 339 5.541 1.954 0.143 214 HA PHE 339 HA PHE 339 3.873 2.663 -2.127 215 HB2 PHE 339 HB2 PHE 339 4.775 -0.034 -1.022 216 HB3 PHE 339 HB1 PHE 339 3.799 0.154 -2.478 217 HD1 PHE 339 HD1 PHE 339 4.788 0.975 -4.554 218 HD2 PHE 339 HD2 PHE 339 7.163 0.668 -1.014 219 HE1 PHE 339 HE1 PHE 339 6.826 1.308 -5.884 220 HE2 PHE 339 HE2 PHE 339 9.198 0.997 -2.360 221 HZ PHE 339 HZ PHE 339 9.030 1.319 -4.794 222 H VAL 340 HN VAL 340 1.717 2.188 -2.377 223 HA VAL 340 HA VAL 340 0.095 2.401 -0.019 224 HB VAL 340 HB VAL 340 -0.393 2.485 -2.994 225 HG11 VAL 340 HG11 VAL 340 -2.845 2.646 -2.737 226 HG12 VAL 340 HG12 VAL 340 -2.697 2.182 -1.037 227 HG13 VAL 340 HG13 VAL 340 -2.245 1.043 -2.305 228 HG21 VAL 340 HG21 VAL 340 0.207 4.532 -1.821 229 HG22 VAL 340 HG22 VAL 340 -1.147 4.327 -0.710 230 HG23 VAL 340 HG23 VAL 340 -1.451 4.648 -2.418 231 H HIS 341 HN HIS 341 -1.160 0.919 0.947 232 HA HIS 341 HA HIS 341 -0.971 -1.897 0.195 233 HB2 HIS 341 HB2 HIS 341 -2.351 -0.633 2.610 234 HB3 HIS 341 HB1 HIS 341 -1.938 -2.326 2.397 235 HD1 HIS 341 HD1 HIS 341 -0.799 -0.023 4.596 236 HD2 HIS 341 HD2 HIS 341 1.179 -1.905 1.484 237 HE1 HIS 341 HE1 HIS 341 1.680 0.126 5.120 238 HA PRO 342 HA PRO 342 -4.843 -1.934 -2.029 239 HB2 PRO 342 HB2 PRO 342 -5.820 -4.446 -1.362 240 HB3 PRO 342 HB1 PRO 342 -4.490 -4.181 -2.506 241 HG2 PRO 342 HG2 PRO 342 -4.334 -4.853 0.424 242 HG3 PRO 342 HG1 PRO 342 -3.463 -5.589 -0.943 243 HD2 PRO 342 HD2 PRO 342 -2.243 -3.782 0.571 244 HD3 PRO 342 HD1 PRO 342 -2.027 -3.745 -1.197 245 H THR 343 HN THR 343 -4.825 -2.380 1.425 246 HA THR 343 HA THR 343 -7.703 -1.679 1.648 247 HB THR 343 HB THR 343 -7.105 -3.906 2.574 248 HG1 THR 343 HG1 THR 343 -7.730 -2.124 4.709 249 HG21 THR 343 HG21 THR 343 -5.332 -2.368 4.509 250 HG22 THR 343 HG22 THR 343 -4.779 -3.478 3.249 251 HG23 THR 343 HG23 THR 343 -5.723 -4.084 4.612 252 H ASP 344 HN ASP 344 -4.826 -0.203 1.705 253 HA ASP 344 HA ASP 344 -5.550 1.882 3.612 254 HB2 ASP 344 HB2 ASP 344 -4.299 0.358 5.060 255 HB3 ASP 344 HB1 ASP 344 -3.027 0.181 3.861 256 H LYS 345 HN LYS 345 -5.794 3.151 1.804 257 HA LYS 345 HA LYS 345 -3.810 3.275 -0.295 258 HB2 LYS 345 HB2 LYS 345 -6.316 4.991 0.042 259 HB3 LYS 345 HB1 LYS 345 -5.373 4.776 -1.433 260 HG2 LYS 345 HG2 LYS 345 -6.027 2.385 -1.506 261 HG3 LYS 345 HG1 LYS 345 -6.959 2.601 -0.022 262 HD2 LYS 345 HD2 LYS 345 -8.469 2.641 -1.944 263 HD3 LYS 345 HD1 LYS 345 -8.426 4.242 -1.200 264 HE2 LYS 345 HE2 LYS 345 -6.905 5.041 -2.945 265 HE3 LYS 345 HE1 LYS 345 -6.837 3.426 -3.654 266 HZ1 LYS 345 HZ1 LYS 345 -8.356 4.847 -4.856 267 HZ2 LYS 345 HZ2 LYS 345 -9.269 5.124 -3.464 268 HZ3 LYS 345 HZ3 LYS 345 -9.197 3.573 -4.128 269 H GLU 346 HN GLU 346 -5.359 6.098 1.239 270 HA GLU 346 HA GLU 346 -2.854 7.187 2.203 271 HB2 GLU 346 HB2 GLU 346 -2.789 7.814 -0.215 272 HB3 GLU 346 HB1 GLU 346 -4.346 8.618 -0.054 273 HG2 GLU 346 HG2 GLU 346 -3.351 10.240 1.523 274 HG3 GLU 346 HG1 GLU 346 -1.796 9.426 1.383 Start of MODEL 18 1 H1 ASN 312 HT1 ASN 312 -9.800 8.707 -6.785 2 H2 ASN 312 HT2 ASN 312 -9.119 9.803 -5.696 3 H3 ASN 312 HT3 ASN 312 -9.477 8.227 -5.201 4 HA ASN 312 HA ASN 312 -7.120 8.511 -5.560 5 HB2 ASN 312 HB2 ASN 312 -8.387 6.734 -7.701 6 HB3 ASN 312 HB1 ASN 312 -6.777 6.546 -7.008 7 HD21 ASN 312 HD21 ASN 312 -10.160 5.975 -6.568 8 HD22 ASN 312 HD22 ASN 312 -10.037 5.062 -5.106 9 H ASN 313 HN ASN 313 -6.048 10.232 -6.373 10 HA ASN 313 HA ASN 313 -6.399 11.193 -9.094 11 HB2 ASN 313 HB2 ASN 313 -4.404 11.942 -6.912 12 HB3 ASN 313 HB1 ASN 313 -4.437 12.703 -8.500 13 HD21 ASN 313 HD21 ASN 313 -4.783 14.712 -7.469 14 HD22 ASN 313 HD22 ASN 313 -6.335 15.151 -6.845 15 H LYS 314 HN LYS 314 -4.552 8.811 -7.494 16 HA LYS 314 HA LYS 314 -2.914 7.380 -7.999 17 HB2 LYS 314 HB2 LYS 314 -3.324 8.203 -10.900 18 HB3 LYS 314 HB1 LYS 314 -2.488 6.755 -10.344 19 HG2 LYS 314 HG2 LYS 314 -4.585 5.872 -9.424 20 HG3 LYS 314 HG1 LYS 314 -5.441 7.336 -9.911 21 HD2 LYS 314 HD2 LYS 314 -4.121 5.329 -11.786 22 HD3 LYS 314 HD1 LYS 314 -5.853 5.491 -11.494 23 HE2 LYS 314 HE2 LYS 314 -5.761 7.808 -12.410 24 HE3 LYS 314 HE1 LYS 314 -4.048 7.573 -12.772 25 HZ1 LYS 314 HZ1 LYS 314 -6.294 5.990 -13.912 26 HZ2 LYS 314 HZ2 LYS 314 -4.657 5.753 -14.250 27 HZ3 LYS 314 HZ3 LYS 314 -5.409 7.189 -14.718 28 H TYR 315 HN TYR 315 -1.156 8.252 -6.995 29 HA TYR 315 HA TYR 315 0.704 9.960 -8.466 30 HB2 TYR 315 HB2 TYR 315 0.739 11.662 -6.550 31 HB3 TYR 315 HB1 TYR 315 -0.663 11.712 -7.600 32 HD1 TYR 315 HD1 TYR 315 -2.801 10.412 -6.726 33 HD2 TYR 315 HD2 TYR 315 0.398 11.665 -4.189 34 HE1 TYR 315 HE1 TYR 315 -4.305 10.312 -4.794 35 HE2 TYR 315 HE2 TYR 315 -1.110 11.558 -2.250 36 HH TYR 315 HH TYR 315 -4.185 10.077 -2.371 37 H LYS 316 HN LYS 316 0.153 8.970 -5.046 38 HA LYS 316 HA LYS 316 2.895 7.844 -4.940 39 HB2 LYS 316 HB2 LYS 316 0.933 8.565 -2.718 40 HB3 LYS 316 HB1 LYS 316 2.504 7.816 -2.455 41 HG2 LYS 316 HG2 LYS 316 3.605 9.828 -3.432 42 HG3 LYS 316 HG1 LYS 316 2.018 10.583 -3.606 43 HD2 LYS 316 HD2 LYS 316 3.307 9.725 -0.981 44 HD3 LYS 316 HD1 LYS 316 3.158 11.383 -1.564 45 HE2 LYS 316 HE2 LYS 316 0.731 11.272 -1.399 46 HE3 LYS 316 HE1 LYS 316 0.804 9.565 -0.959 47 HZ1 LYS 316 HZ1 LYS 316 0.468 10.910 0.990 48 HZ2 LYS 316 HZ2 LYS 316 1.845 11.834 0.653 49 HZ3 LYS 316 HZ3 LYS 316 2.001 10.203 1.062 50 H THR 317 HN THR 317 0.282 6.708 -6.095 51 HA THR 317 HA THR 317 -0.491 4.566 -4.300 52 HB THR 317 HB THR 317 -2.186 4.124 -6.194 53 HG1 THR 317 HG1 THR 317 -1.220 5.103 -7.925 54 HG21 THR 317 HG21 THR 317 -2.193 6.902 -4.930 55 HG22 THR 317 HG22 THR 317 -2.824 5.433 -4.183 56 HG23 THR 317 HG23 THR 317 -3.595 6.078 -5.630 57 H LYS 318 HN LYS 318 1.814 3.759 -4.543 58 HA LYS 318 HA LYS 318 2.124 1.833 -6.757 59 HB2 LYS 318 HB2 LYS 318 4.028 2.824 -4.591 60 HB3 LYS 318 HB1 LYS 318 4.365 1.353 -5.492 61 HG2 LYS 318 HG2 LYS 318 5.623 3.103 -6.493 62 HG3 LYS 318 HG1 LYS 318 4.316 2.696 -7.607 63 HD2 LYS 318 HD2 LYS 318 3.057 4.695 -6.845 64 HD3 LYS 318 HD1 LYS 318 4.362 5.087 -5.720 65 HE2 LYS 318 HE2 LYS 318 5.920 5.348 -7.628 66 HE3 LYS 318 HE1 LYS 318 4.606 4.968 -8.746 67 HZ1 LYS 318 HZ1 LYS 318 3.435 6.940 -7.953 68 HZ2 LYS 318 HZ2 LYS 318 4.951 7.344 -8.582 69 HZ3 LYS 318 HZ3 LYS 318 4.705 7.300 -6.911 70 H LEU 319 HN LEU 319 0.806 0.120 -6.328 71 HA LEU 319 HA LEU 319 0.038 -0.848 -3.816 72 HB2 LEU 319 HB2 LEU 319 -1.208 -1.423 -5.820 73 HB3 LEU 319 HB1 LEU 319 0.183 -2.243 -6.517 74 HG LEU 319 HG LEU 319 -0.001 -4.023 -4.800 75 HD11 LEU 319 HD11 LEU 319 -2.408 -2.503 -3.787 76 HD12 LEU 319 HD12 LEU 319 -0.868 -2.723 -2.949 77 HD13 LEU 319 HD13 LEU 319 -1.900 -4.113 -3.267 78 HD21 LEU 319 HD21 LEU 319 -2.081 -5.070 -5.565 79 HD22 LEU 319 HD22 LEU 319 -1.217 -4.323 -6.906 80 HD23 LEU 319 HD23 LEU 319 -2.635 -3.524 -6.222 81 H CYS 320 HN CYS 320 1.032 -2.071 -2.332 82 HA CYS 320 HA CYS 320 3.748 -2.809 -2.458 83 HB2 CYS 320 HB2 CYS 320 1.554 -3.681 -0.543 84 HB3 CYS 320 HB1 CYS 320 3.267 -4.013 -0.303 85 H LYS 321 HN LYS 321 4.623 -4.428 -3.506 86 HA LYS 321 HA LYS 321 3.402 -6.707 -4.625 87 HB2 LYS 321 HB2 LYS 321 5.765 -7.531 -4.880 88 HB3 LYS 321 HB1 LYS 321 5.534 -5.884 -5.462 89 HG2 LYS 321 HG2 LYS 321 6.499 -4.994 -3.369 90 HG3 LYS 321 HG1 LYS 321 6.744 -6.642 -2.780 91 HD2 LYS 321 HD2 LYS 321 8.327 -7.077 -4.627 92 HD3 LYS 321 HD1 LYS 321 8.056 -5.449 -5.259 93 HE2 LYS 321 HE2 LYS 321 9.025 -4.466 -3.251 94 HE3 LYS 321 HE1 LYS 321 9.191 -6.063 -2.514 95 HZ1 LYS 321 HZ1 LYS 321 10.763 -6.674 -4.203 96 HZ2 LYS 321 HZ2 LYS 321 11.274 -5.231 -3.480 97 HZ3 LYS 321 HZ3 LYS 321 10.553 -5.212 -5.007 98 H ASN 322 HN ASN 322 4.715 -6.027 -1.460 99 HA ASN 322 HA ASN 322 4.874 -8.566 -0.283 100 HB2 ASN 322 HB2 ASN 322 3.914 -5.952 1.001 101 HB3 ASN 322 HB1 ASN 322 4.527 -7.359 1.868 102 HD21 ASN 322 HD21 ASN 322 6.717 -7.555 2.146 103 HD22 ASN 322 HD22 ASN 322 7.886 -6.469 1.494 104 H PHE 323 HN PHE 323 2.164 -6.348 -0.704 105 HA PHE 323 HA PHE 323 0.228 -8.118 0.593 106 HB2 PHE 323 HB2 PHE 323 0.150 -5.243 -0.385 107 HB3 PHE 323 HB1 PHE 323 -1.329 -6.089 0.047 108 HD1 PHE 323 HD1 PHE 323 -2.121 -5.856 2.229 109 HD2 PHE 323 HD2 PHE 323 2.066 -5.357 1.514 110 HE1 PHE 323 HE1 PHE 323 -1.790 -5.251 4.584 111 HE2 PHE 323 HE2 PHE 323 2.384 -4.757 3.878 112 HZ PHE 323 HZ PHE 323 0.465 -4.706 5.414 113 H ALA 324 HN ALA 324 1.474 -8.096 -2.398 114 HA ALA 324 HA ALA 324 -1.000 -8.715 -3.864 115 HB1 ALA 324 HB1 ALA 324 1.912 -8.797 -4.775 116 HB2 ALA 324 HB2 ALA 324 0.776 -7.472 -5.046 117 HB3 ALA 324 HB3 ALA 324 0.495 -9.039 -5.803 118 H ARG 325 HN ARG 325 -1.226 -10.825 -4.920 119 HA ARG 325 HA ARG 325 -1.081 -12.968 -3.127 120 HB2 ARG 325 HB2 ARG 325 -2.707 -12.652 -5.077 121 HB3 ARG 325 HB1 ARG 325 -1.443 -13.213 -6.152 122 HG2 ARG 325 HG2 ARG 325 -2.500 -14.908 -3.868 123 HG3 ARG 325 HG1 ARG 325 -3.250 -14.902 -5.457 124 HD2 ARG 325 HD2 ARG 325 -1.204 -15.774 -6.466 125 HD3 ARG 325 HD1 ARG 325 -0.351 -15.667 -4.926 126 HE ARG 325 HE ARG 325 -2.543 -17.548 -5.573 127 HH11 ARG 325 HH11 ARG 325 0.251 -18.250 -2.749 128 HH12 ARG 325 HH12 ARG 325 0.235 -16.715 -3.562 129 HH21 ARG 325 HH21 ARG 325 -1.279 -19.864 -3.304 130 HH22 ARG 325 HH22 ARG 325 -2.464 -19.562 -4.538 131 H GLY 326 HN GLY 326 0.531 -14.310 -2.615 132 HA2 GLY 326 HA2 GLY 326 2.222 -15.911 -3.204 133 HA3 GLY 326 HA1 GLY 326 2.745 -14.862 -4.516 134 H GLY 327 HN GLY 327 2.353 -12.554 -2.473 135 HA2 GLY 327 HA2 GLY 327 5.073 -12.489 -1.466 136 HA3 GLY 327 HA1 GLY 327 3.844 -11.239 -1.308 137 H THR 328 HN THR 328 5.353 -11.591 0.806 138 HA THR 328 HA THR 328 4.469 -13.479 2.753 139 HB THR 328 HB THR 328 6.664 -12.554 3.022 140 HG1 THR 328 HG1 THR 328 5.300 -12.856 4.968 141 HG21 THR 328 HG21 THR 328 7.132 -10.174 3.463 142 HG22 THR 328 HG22 THR 328 5.428 -9.788 3.221 143 HG23 THR 328 HG23 THR 328 6.391 -10.396 1.875 144 H GLY 329 HN GLY 329 3.243 -10.386 1.751 145 HA2 GLY 329 HA2 GLY 329 1.196 -9.407 2.230 146 HA3 GLY 329 HA1 GLY 329 0.948 -10.538 3.551 147 H PHE 330 HN PHE 330 3.941 -9.483 4.138 148 HA PHE 330 HA PHE 330 3.096 -7.167 5.784 149 HB2 PHE 330 HB2 PHE 330 5.390 -9.098 6.383 150 HB3 PHE 330 HB1 PHE 330 4.765 -7.830 7.438 151 HD1 PHE 330 HD1 PHE 330 2.179 -8.026 8.048 152 HD2 PHE 330 HD2 PHE 330 4.603 -11.295 6.713 153 HE1 PHE 330 HE1 PHE 330 0.566 -9.625 9.002 154 HE2 PHE 330 HE2 PHE 330 2.988 -12.879 7.674 155 HZ PHE 330 HZ PHE 330 0.968 -12.047 8.813 156 H CYS 331 HN CYS 331 3.951 -5.281 5.128 157 HA CYS 331 HA CYS 331 6.319 -5.083 3.481 158 HB2 CYS 331 HB2 CYS 331 4.643 -2.948 4.858 159 HB3 CYS 331 HB1 CYS 331 5.930 -2.625 3.709 160 HA PRO 332 HA PRO 332 8.975 -5.432 7.133 161 HB2 PRO 332 HB2 PRO 332 11.400 -4.797 5.960 162 HB3 PRO 332 HB1 PRO 332 10.588 -6.358 5.734 163 HG2 PRO 332 HG2 PRO 332 10.578 -3.965 3.922 164 HG3 PRO 332 HG1 PRO 332 10.805 -5.683 3.516 165 HD2 PRO 332 HD2 PRO 332 8.422 -4.469 3.158 166 HD3 PRO 332 HD1 PRO 332 8.521 -6.168 3.671 167 H TYR 333 HN TYR 333 8.668 -2.529 5.270 168 HA TYR 333 HA TYR 333 10.171 -0.762 6.963 169 HB2 TYR 333 HB2 TYR 333 8.085 -0.162 4.830 170 HB3 TYR 333 HB1 TYR 333 9.168 1.023 5.554 171 HD1 TYR 333 HD1 TYR 333 11.619 0.938 5.050 172 HD2 TYR 333 HD2 TYR 333 8.859 -1.640 3.050 173 HE1 TYR 333 HE1 TYR 333 13.302 0.478 3.326 174 HE2 TYR 333 HE2 TYR 333 10.543 -2.101 1.324 175 HH TYR 333 HH TYR 333 13.836 -1.185 1.653 176 H GLY 334 HN GLY 334 6.916 -1.990 6.962 177 HA2 GLY 334 HA2 GLY 334 5.166 -1.774 8.406 178 HA3 GLY 334 HA1 GLY 334 6.289 -1.056 9.549 179 H LEU 335 HN LEU 335 5.969 1.016 10.049 180 HA LEU 335 HA LEU 335 3.833 2.588 9.031 181 HB2 LEU 335 HB2 LEU 335 4.645 2.756 11.357 182 HB3 LEU 335 HB1 LEU 335 6.207 3.329 10.801 183 HG LEU 335 HG LEU 335 5.169 5.439 10.008 184 HD11 LEU 335 HD11 LEU 335 2.843 6.006 10.558 185 HD12 LEU 335 HD12 LEU 335 2.564 4.352 11.110 186 HD13 LEU 335 HD13 LEU 335 2.945 4.672 9.414 187 HD21 LEU 335 HD21 LEU 335 4.669 6.411 12.213 188 HD22 LEU 335 HD22 LEU 335 6.078 5.356 12.268 189 HD23 LEU 335 HD23 LEU 335 4.529 4.789 12.902 190 H ARG 336 HN ARG 336 7.252 2.392 8.293 191 HA ARG 336 HA ARG 336 7.395 4.927 6.872 192 HB2 ARG 336 HB2 ARG 336 9.479 2.718 7.182 193 HB3 ARG 336 HB1 ARG 336 9.781 4.329 6.543 194 HG2 ARG 336 HG2 ARG 336 8.910 3.702 9.382 195 HG3 ARG 336 HG1 ARG 336 10.556 4.080 8.877 196 HD2 ARG 336 HD2 ARG 336 9.894 6.339 8.247 197 HD3 ARG 336 HD1 ARG 336 8.195 5.965 8.564 198 HE ARG 336 HE ARG 336 9.825 5.528 10.869 199 HH11 ARG 336 HH11 ARG 336 8.245 8.114 9.038 200 HH12 ARG 336 HH12 ARG 336 8.125 9.160 10.419 201 HH21 ARG 336 HH21 ARG 336 9.619 6.918 12.653 202 HH22 ARG 336 HH22 ARG 336 8.896 8.489 12.454 203 H CYS 337 HN CYS 337 5.940 2.168 5.945 204 HA CYS 337 HA CYS 337 7.134 1.545 3.436 205 HB2 CYS 337 HB2 CYS 337 5.641 -0.035 4.630 206 HB3 CYS 337 HB1 CYS 337 4.269 1.038 4.348 207 H GLU 338 HN GLU 338 7.195 2.783 1.727 208 HA GLU 338 HA GLU 338 5.597 5.157 1.323 209 HB2 GLU 338 HB2 GLU 338 7.669 3.854 -0.505 210 HB3 GLU 338 HB1 GLU 338 7.057 5.498 -0.644 211 HG2 GLU 338 HG2 GLU 338 8.651 4.462 1.717 212 HG3 GLU 338 HG1 GLU 338 9.346 5.321 0.347 213 H PHE 339 HN PHE 339 5.728 1.902 0.145 214 HA PHE 339 HA PHE 339 3.949 2.217 -2.090 215 HB2 PHE 339 HB2 PHE 339 4.758 -0.314 -0.589 216 HB3 PHE 339 HB1 PHE 339 3.983 -0.254 -2.166 217 HD1 PHE 339 HD1 PHE 339 5.282 0.184 -4.178 218 HD2 PHE 339 HD2 PHE 339 7.148 0.356 -0.329 219 HE1 PHE 339 HE1 PHE 339 7.500 0.180 -5.241 220 HE2 PHE 339 HE2 PHE 339 9.356 0.356 -1.405 221 HZ PHE 339 HZ PHE 339 9.537 0.266 -3.860 222 H VAL 340 HN VAL 340 1.766 2.205 -2.012 223 HA VAL 340 HA VAL 340 0.396 2.221 0.525 224 HB VAL 340 HB VAL 340 -1.624 2.822 -0.733 225 HG11 VAL 340 HG11 VAL 340 0.803 4.382 -1.699 226 HG12 VAL 340 HG12 VAL 340 -0.048 4.620 -0.172 227 HG13 VAL 340 HG13 VAL 340 -0.865 4.964 -1.696 228 HG21 VAL 340 HG21 VAL 340 -1.619 3.061 -3.192 229 HG22 VAL 340 HG22 VAL 340 -1.337 1.388 -2.709 230 HG23 VAL 340 HG23 VAL 340 0.012 2.383 -3.260 231 H HIS 341 HN HIS 341 -1.094 0.781 1.265 232 HA HIS 341 HA HIS 341 -0.963 -1.963 0.256 233 HB2 HIS 341 HB2 HIS 341 -2.322 -0.968 2.806 234 HB3 HIS 341 HB1 HIS 341 -1.791 -2.608 2.441 235 HD1 HIS 341 HD1 HIS 341 -0.803 -0.139 4.644 236 HD2 HIS 341 HD2 HIS 341 1.222 -2.221 1.688 237 HE1 HIS 341 HE1 HIS 341 1.676 0.168 5.111 238 HA PRO 342 HA PRO 342 -4.952 -1.524 -1.681 239 HB2 PRO 342 HB2 PRO 342 -5.728 -4.103 -2.012 240 HB3 PRO 342 HB1 PRO 342 -4.287 -3.462 -2.843 241 HG2 PRO 342 HG2 PRO 342 -4.431 -5.115 -0.336 242 HG3 PRO 342 HG1 PRO 342 -3.347 -5.289 -1.735 243 HD2 PRO 342 HD2 PRO 342 -2.605 -4.025 0.595 244 HD3 PRO 342 HD1 PRO 342 -1.901 -3.640 -0.989 245 H THR 343 HN THR 343 -4.613 -2.895 1.423 246 HA THR 343 HA THR 343 -7.459 -2.973 2.086 247 HB THR 343 HB THR 343 -6.505 -3.688 4.354 248 HG1 THR 343 HG1 THR 343 -4.348 -3.899 4.576 249 HG21 THR 343 HG21 THR 343 -5.802 -5.929 3.593 250 HG22 THR 343 HG22 THR 343 -5.596 -5.322 1.948 251 HG23 THR 343 HG23 THR 343 -7.203 -5.381 2.680 252 H ASP 344 HN ASP 344 -4.582 -0.992 2.559 253 HA ASP 344 HA ASP 344 -5.988 0.976 4.225 254 HB2 ASP 344 HB2 ASP 344 -3.115 0.832 3.208 255 HB3 ASP 344 HB1 ASP 344 -3.740 2.168 4.174 256 H LYS 345 HN LYS 345 -5.205 3.371 3.439 257 HA LYS 345 HA LYS 345 -5.893 3.728 0.592 258 HB2 LYS 345 HB2 LYS 345 -8.010 3.700 2.034 259 HB3 LYS 345 HB1 LYS 345 -7.405 5.142 2.839 260 HG2 LYS 345 HG2 LYS 345 -7.455 6.361 0.681 261 HG3 LYS 345 HG1 LYS 345 -8.076 4.918 -0.120 262 HD2 LYS 345 HD2 LYS 345 -9.470 6.497 2.076 263 HD3 LYS 345 HD1 LYS 345 -9.890 6.514 0.364 264 HE2 LYS 345 HE2 LYS 345 -10.108 4.123 2.230 265 HE3 LYS 345 HE1 LYS 345 -11.443 5.104 1.631 266 HZ1 LYS 345 HZ1 LYS 345 -11.245 3.061 0.390 267 HZ2 LYS 345 HZ2 LYS 345 -9.650 3.415 -0.030 268 HZ3 LYS 345 HZ3 LYS 345 -10.908 4.378 -0.621 269 H GLU 346 HN GLU 346 -5.422 5.904 -0.169 270 HA GLU 346 HA GLU 346 -3.694 7.581 1.531 271 HB2 GLU 346 HB2 GLU 346 -2.196 6.083 0.224 272 HB3 GLU 346 HB1 GLU 346 -2.976 6.590 -1.270 273 HG2 GLU 346 HG2 GLU 346 -0.785 7.677 -0.945 274 HG3 GLU 346 HG1 GLU 346 -2.107 8.842 -1.020 Start of MODEL 19 1 H1 ASN 312 HT1 ASN 312 -12.988 12.193 -3.559 2 H2 ASN 312 HT2 ASN 312 -11.643 12.977 -4.219 3 H3 ASN 312 HT3 ASN 312 -11.438 11.848 -2.980 4 HA ASN 312 HA ASN 312 -12.197 10.080 -4.375 5 HB2 ASN 312 HB2 ASN 312 -12.473 12.252 -6.500 6 HB3 ASN 312 HB1 ASN 312 -12.554 10.526 -6.844 7 HD21 ASN 312 HD21 ASN 312 -14.668 10.699 -7.644 8 HD22 ASN 312 HD22 ASN 312 -16.025 10.956 -6.609 9 H ASN 313 HN ASN 313 -10.121 9.497 -3.752 10 HA ASN 313 HA ASN 313 -7.850 10.530 -5.355 11 HB2 ASN 313 HB2 ASN 313 -7.864 9.207 -2.608 12 HB3 ASN 313 HB1 ASN 313 -6.412 9.705 -3.474 13 HD21 ASN 313 HD21 ASN 313 -7.457 10.575 -0.857 14 HD22 ASN 313 HD22 ASN 313 -7.601 12.293 -0.960 15 H LYS 314 HN LYS 314 -7.540 9.225 -7.048 16 HA LYS 314 HA LYS 314 -7.181 6.313 -6.565 17 HB2 LYS 314 HB2 LYS 314 -8.917 7.111 -8.310 18 HB3 LYS 314 HB1 LYS 314 -7.557 7.687 -9.258 19 HG2 LYS 314 HG2 LYS 314 -8.301 5.538 -10.104 20 HG3 LYS 314 HG1 LYS 314 -6.688 5.358 -9.401 21 HD2 LYS 314 HD2 LYS 314 -7.688 4.417 -7.342 22 HD3 LYS 314 HD1 LYS 314 -9.303 4.643 -8.019 23 HE2 LYS 314 HE2 LYS 314 -7.162 2.823 -9.170 24 HE3 LYS 314 HE1 LYS 314 -8.535 2.296 -8.196 25 HZ1 LYS 314 HZ1 LYS 314 -10.023 3.152 -9.928 26 HZ2 LYS 314 HZ2 LYS 314 -8.982 1.970 -10.533 27 HZ3 LYS 314 HZ3 LYS 314 -8.691 3.596 -10.872 28 H TYR 315 HN TYR 315 -5.429 8.755 -6.096 29 HA TYR 315 HA TYR 315 -3.363 8.762 -8.111 30 HB2 TYR 315 HB2 TYR 315 -3.496 10.176 -5.410 31 HB3 TYR 315 HB1 TYR 315 -2.335 10.522 -6.692 32 HD1 TYR 315 HD1 TYR 315 -5.529 11.410 -5.330 33 HD2 TYR 315 HD2 TYR 315 -3.336 11.256 -8.993 34 HE1 TYR 315 HE1 TYR 315 -7.089 13.017 -6.319 35 HE2 TYR 315 HE2 TYR 315 -4.889 12.868 -9.993 36 HH TYR 315 HH TYR 315 -7.083 14.692 -8.171 37 H LYS 316 HN LYS 316 -3.466 8.004 -4.627 38 HA LYS 316 HA LYS 316 -0.894 6.627 -4.730 39 HB2 LYS 316 HB2 LYS 316 -2.818 7.119 -2.418 40 HB3 LYS 316 HB1 LYS 316 -1.238 6.360 -2.266 41 HG2 LYS 316 HG2 LYS 316 -0.169 8.460 -3.061 42 HG3 LYS 316 HG1 LYS 316 -1.763 9.225 -3.139 43 HD2 LYS 316 HD2 LYS 316 -2.020 8.772 -0.672 44 HD3 LYS 316 HD1 LYS 316 -0.366 8.154 -0.657 45 HE2 LYS 316 HE2 LYS 316 -1.207 10.989 -1.356 46 HE3 LYS 316 HE1 LYS 316 -0.437 10.472 0.144 47 HZ1 LYS 316 HZ1 LYS 316 1.166 11.455 -1.354 48 HZ2 LYS 316 HZ2 LYS 316 0.792 10.338 -2.565 49 HZ3 LYS 316 HZ3 LYS 316 1.517 9.817 -1.132 50 H THR 317 HN THR 317 -1.518 4.960 -6.182 51 HA THR 317 HA THR 317 -2.981 2.709 -4.935 52 HB THR 317 HB THR 317 -3.853 2.188 -7.328 53 HG1 THR 317 HG1 THR 317 -3.685 4.953 -7.820 54 HG21 THR 317 HG21 THR 317 -4.970 4.648 -5.937 55 HG22 THR 317 HG22 THR 317 -5.372 2.974 -5.544 56 HG23 THR 317 HG23 THR 317 -5.823 3.643 -7.113 57 H LYS 318 HN LYS 318 -0.041 3.671 -5.875 58 HA LYS 318 HA LYS 318 0.915 1.359 -7.287 59 HB2 LYS 318 HB2 LYS 318 2.386 3.375 -5.531 60 HB3 LYS 318 HB1 LYS 318 3.196 2.071 -6.401 61 HG2 LYS 318 HG2 LYS 318 2.400 3.009 -8.546 62 HG3 LYS 318 HG1 LYS 318 1.591 4.311 -7.674 63 HD2 LYS 318 HD2 LYS 318 4.598 3.816 -7.681 64 HD3 LYS 318 HD1 LYS 318 3.763 5.013 -8.672 65 HE2 LYS 318 HE2 LYS 318 2.948 6.101 -6.569 66 HE3 LYS 318 HE1 LYS 318 3.931 4.966 -5.645 67 HZ1 LYS 318 HZ1 LYS 318 5.093 7.015 -5.894 68 HZ2 LYS 318 HZ2 LYS 318 4.916 6.996 -7.576 69 HZ3 LYS 318 HZ3 LYS 318 5.887 5.842 -6.812 70 H LEU 319 HN LEU 319 -0.100 -0.345 -6.241 71 HA LEU 319 HA LEU 319 -0.155 -0.725 -3.443 72 HB2 LEU 319 HB2 LEU 319 -1.285 -2.782 -3.829 73 HB3 LEU 319 HB1 LEU 319 -1.858 -1.664 -5.048 74 HG LEU 319 HG LEU 319 0.265 -3.772 -5.636 75 HD11 LEU 319 HD11 LEU 319 -1.752 -4.920 -4.877 76 HD12 LEU 319 HD12 LEU 319 -1.477 -5.173 -6.599 77 HD13 LEU 319 HD13 LEU 319 -2.716 -4.033 -6.064 78 HD21 LEU 319 HD21 LEU 319 -1.537 -2.183 -7.502 79 HD22 LEU 319 HD22 LEU 319 -0.371 -3.420 -7.988 80 HD23 LEU 319 HD23 LEU 319 0.193 -1.924 -7.250 81 H CYS 320 HN CYS 320 0.904 -2.205 -2.153 82 HA CYS 320 HA CYS 320 3.630 -2.778 -2.730 83 HB2 CYS 320 HB2 CYS 320 1.854 -3.745 -0.448 84 HB3 CYS 320 HB1 CYS 320 3.616 -3.865 -0.501 85 H LYS 321 HN LYS 321 4.392 -4.504 -3.832 86 HA LYS 321 HA LYS 321 2.880 -6.781 -4.603 87 HB2 LYS 321 HB2 LYS 321 5.053 -7.741 -5.303 88 HB3 LYS 321 HB1 LYS 321 4.847 -6.090 -5.872 89 HG2 LYS 321 HG2 LYS 321 6.414 -5.232 -4.263 90 HG3 LYS 321 HG1 LYS 321 6.449 -6.760 -3.378 91 HD2 LYS 321 HD2 LYS 321 7.466 -6.372 -6.225 92 HD3 LYS 321 HD1 LYS 321 8.490 -6.396 -4.785 93 HE2 LYS 321 HE2 LYS 321 7.779 -8.719 -4.321 94 HE3 LYS 321 HE1 LYS 321 6.744 -8.694 -5.749 95 HZ1 LYS 321 HZ1 LYS 321 9.691 -8.376 -5.784 96 HZ2 LYS 321 HZ2 LYS 321 8.673 -8.452 -7.131 97 HZ3 LYS 321 HZ3 LYS 321 8.857 -9.806 -6.136 98 H ASN 322 HN ASN 322 4.645 -5.965 -1.759 99 HA ASN 322 HA ASN 322 4.992 -8.385 -0.410 100 HB2 ASN 322 HB2 ASN 322 4.098 -5.677 0.722 101 HB3 ASN 322 HB1 ASN 322 4.830 -6.987 1.651 102 HD21 ASN 322 HD21 ASN 322 7.004 -6.968 1.859 103 HD22 ASN 322 HD22 ASN 322 8.084 -5.957 0.970 104 H PHE 323 HN PHE 323 2.192 -6.204 -0.607 105 HA PHE 323 HA PHE 323 0.443 -7.929 0.964 106 HB2 PHE 323 HB2 PHE 323 0.166 -5.162 -0.237 107 HB3 PHE 323 HB1 PHE 323 -1.264 -6.019 0.319 108 HD1 PHE 323 HD1 PHE 323 -1.983 -5.570 2.480 109 HD2 PHE 323 HD2 PHE 323 2.184 -5.139 1.601 110 HE1 PHE 323 HE1 PHE 323 -1.580 -4.774 4.760 111 HE2 PHE 323 HE2 PHE 323 2.572 -4.349 3.896 112 HZ PHE 323 HZ PHE 323 0.692 -4.164 5.476 113 H ALA 324 HN ALA 324 1.112 -7.313 -2.408 114 HA ALA 324 HA ALA 324 -1.313 -8.266 -3.545 115 HB1 ALA 324 HB1 ALA 324 1.486 -8.319 -4.726 116 HB2 ALA 324 HB2 ALA 324 0.348 -6.975 -4.838 117 HB3 ALA 324 HB3 ALA 324 -0.023 -8.511 -5.624 118 H ARG 325 HN ARG 325 -1.798 -10.308 -4.425 119 HA ARG 325 HA ARG 325 -1.448 -12.436 -2.678 120 HB2 ARG 325 HB2 ARG 325 -2.627 -13.806 -4.378 121 HB3 ARG 325 HB1 ARG 325 -3.389 -12.240 -4.130 122 HG2 ARG 325 HG2 ARG 325 -2.440 -11.391 -6.226 123 HG3 ARG 325 HG1 ARG 325 -1.552 -12.896 -6.463 124 HD2 ARG 325 HD2 ARG 325 -4.565 -12.543 -6.490 125 HD3 ARG 325 HD1 ARG 325 -3.528 -12.898 -7.876 126 HE ARG 325 HE ARG 325 -2.956 -15.003 -6.415 127 HH11 ARG 325 HH11 ARG 325 -6.963 -15.091 -6.634 128 HH12 ARG 325 HH12 ARG 325 -6.142 -13.584 -6.866 129 HH21 ARG 325 HH21 ARG 325 -5.805 -16.981 -6.174 130 HH22 ARG 325 HH22 ARG 325 -4.074 -16.949 -6.046 131 H GLY 326 HN GLY 326 0.014 -14.060 -2.461 132 HA2 GLY 326 HA2 GLY 326 1.641 -15.638 -3.267 133 HA3 GLY 326 HA1 GLY 326 2.079 -14.511 -4.546 134 H GLY 327 HN GLY 327 1.971 -12.262 -2.487 135 HA2 GLY 327 HA2 GLY 327 4.678 -12.414 -1.466 136 HA3 GLY 327 HA1 GLY 327 3.530 -11.095 -1.249 137 H THR 328 HN THR 328 4.865 -11.481 0.912 138 HA THR 328 HA THR 328 3.920 -13.525 2.718 139 HB THR 328 HB THR 328 5.143 -12.131 4.445 140 HG1 THR 328 HG1 THR 328 6.399 -10.343 3.436 141 HG21 THR 328 HG21 THR 328 6.398 -13.831 3.156 142 HG22 THR 328 HG22 THR 328 7.409 -12.429 3.515 143 HG23 THR 328 HG23 THR 328 6.730 -12.637 1.899 144 H GLY 329 HN GLY 329 2.986 -10.288 1.886 145 HA2 GLY 329 HA2 GLY 329 0.882 -9.280 2.275 146 HA3 GLY 329 HA1 GLY 329 0.646 -10.308 3.683 147 H PHE 330 HN PHE 330 3.734 -9.348 3.965 148 HA PHE 330 HA PHE 330 3.076 -7.020 5.678 149 HB2 PHE 330 HB2 PHE 330 5.250 -9.121 6.094 150 HB3 PHE 330 HB1 PHE 330 4.946 -7.743 7.148 151 HD1 PHE 330 HD1 PHE 330 3.761 -11.075 6.116 152 HD2 PHE 330 HD2 PHE 330 2.981 -7.709 8.645 153 HE1 PHE 330 HE1 PHE 330 2.146 -12.404 7.392 154 HE2 PHE 330 HE2 PHE 330 1.366 -9.052 9.920 155 HZ PHE 330 HZ PHE 330 0.944 -11.401 9.294 156 H CYS 331 HN CYS 331 4.050 -5.125 5.163 157 HA CYS 331 HA CYS 331 6.484 -5.013 3.555 158 HB2 CYS 331 HB2 CYS 331 4.776 -2.830 4.836 159 HB3 CYS 331 HB1 CYS 331 6.219 -2.509 3.873 160 HA PRO 332 HA PRO 332 9.233 -5.271 7.135 161 HB2 PRO 332 HB2 PRO 332 10.985 -3.397 5.546 162 HB3 PRO 332 HB1 PRO 332 11.391 -4.957 6.301 163 HG2 PRO 332 HG2 PRO 332 11.068 -4.840 3.679 164 HG3 PRO 332 HG1 PRO 332 10.386 -6.204 4.595 165 HD2 PRO 332 HD2 PRO 332 8.954 -3.781 3.496 166 HD3 PRO 332 HD1 PRO 332 8.450 -5.488 3.493 167 H TYR 333 HN TYR 333 8.433 -2.115 5.756 168 HA TYR 333 HA TYR 333 9.289 -0.614 8.112 169 HB2 TYR 333 HB2 TYR 333 7.886 0.329 5.578 170 HB3 TYR 333 HB1 TYR 333 8.621 1.369 6.794 171 HD1 TYR 333 HD1 TYR 333 11.060 1.661 6.873 172 HD2 TYR 333 HD2 TYR 333 9.313 -0.984 4.011 173 HE1 TYR 333 HE1 TYR 333 13.195 1.556 5.657 174 HE2 TYR 333 HE2 TYR 333 11.432 -1.097 2.799 175 HH TYR 333 HH TYR 333 13.483 0.293 2.525 176 H GLY 334 HN GLY 334 6.530 -2.348 7.284 177 HA2 GLY 334 HA2 GLY 334 4.407 -2.488 8.132 178 HA3 GLY 334 HA1 GLY 334 4.875 -1.324 9.367 179 H LEU 335 HN LEU 335 3.474 0.379 9.318 180 HA LEU 335 HA LEU 335 2.120 1.207 6.892 181 HB2 LEU 335 HB2 LEU 335 0.990 1.260 9.088 182 HB3 LEU 335 HB1 LEU 335 2.149 2.434 9.673 183 HG LEU 335 HG LEU 335 1.242 4.149 8.128 184 HD11 LEU 335 HD11 LEU 335 0.543 2.723 6.268 185 HD12 LEU 335 HD12 LEU 335 -0.764 3.782 6.792 186 HD13 LEU 335 HD13 LEU 335 -0.777 2.075 7.246 187 HD21 LEU 335 HD21 LEU 335 0.258 3.971 10.363 188 HD22 LEU 335 HD22 LEU 335 -0.941 2.818 9.767 189 HD23 LEU 335 HD23 LEU 335 -0.946 4.486 9.184 190 H ARG 336 HN ARG 336 5.122 2.018 8.408 191 HA ARG 336 HA ARG 336 5.519 4.638 7.293 192 HB2 ARG 336 HB2 ARG 336 7.514 2.537 8.242 193 HB3 ARG 336 HB1 ARG 336 7.973 4.166 7.759 194 HG2 ARG 336 HG2 ARG 336 6.858 5.147 9.630 195 HG3 ARG 336 HG1 ARG 336 6.025 3.639 10.022 196 HD2 ARG 336 HD2 ARG 336 9.031 4.093 10.213 197 HD3 ARG 336 HD1 ARG 336 7.904 4.081 11.575 198 HE ARG 336 HE ARG 336 7.424 1.679 10.481 199 HH11 ARG 336 HH11 ARG 336 10.485 3.181 11.370 200 HH12 ARG 336 HH12 ARG 336 11.271 1.668 11.689 201 HH21 ARG 336 HH21 ARG 336 10.119 -0.293 11.421 202 HH22 ARG 336 HH22 ARG 336 8.466 -0.280 10.907 203 H CYS 337 HN CYS 337 5.229 1.684 5.755 204 HA CYS 337 HA CYS 337 7.139 1.487 3.776 205 HB2 CYS 337 HB2 CYS 337 5.486 -0.230 4.133 206 HB3 CYS 337 HB1 CYS 337 4.171 0.870 3.733 207 H GLU 338 HN GLU 338 7.489 2.391 1.761 208 HA GLU 338 HA GLU 338 6.448 4.982 1.136 209 HB2 GLU 338 HB2 GLU 338 8.138 3.071 -0.538 210 HB3 GLU 338 HB1 GLU 338 7.822 4.752 -0.960 211 HG2 GLU 338 HG2 GLU 338 9.359 3.778 1.474 212 HG3 GLU 338 HG1 GLU 338 10.060 4.463 0.012 213 H PHE 339 HN PHE 339 5.813 1.732 0.006 214 HA PHE 339 HA PHE 339 4.041 2.574 -2.155 215 HB2 PHE 339 HB2 PHE 339 4.760 -0.247 -1.221 216 HB3 PHE 339 HB1 PHE 339 3.926 0.178 -2.715 217 HD1 PHE 339 HD1 PHE 339 5.182 1.405 -4.540 218 HD2 PHE 339 HD2 PHE 339 7.174 -0.120 -1.067 219 HE1 PHE 339 HE1 PHE 339 7.352 1.623 -5.675 220 HE2 PHE 339 HE2 PHE 339 9.333 0.103 -2.214 221 HZ PHE 339 HZ PHE 339 9.429 0.975 -4.514 222 H VAL 340 HN VAL 340 1.854 2.082 -2.240 223 HA VAL 340 HA VAL 340 0.472 2.368 0.288 224 HB VAL 340 HB VAL 340 -0.643 2.216 -2.556 225 HG11 VAL 340 HG11 VAL 340 -1.991 3.270 -0.026 226 HG12 VAL 340 HG12 VAL 340 -2.412 1.781 -0.875 227 HG13 VAL 340 HG13 VAL 340 -2.660 3.340 -1.661 228 HG21 VAL 340 HG21 VAL 340 0.970 4.043 -2.287 229 HG22 VAL 340 HG22 VAL 340 0.083 4.647 -0.884 230 HG23 VAL 340 HG23 VAL 340 -0.665 4.673 -2.482 231 H HIS 341 HN HIS 341 -0.993 0.927 1.160 232 HA HIS 341 HA HIS 341 -0.679 -1.881 0.415 233 HB2 HIS 341 HB2 HIS 341 -2.054 -0.645 2.851 234 HB3 HIS 341 HB1 HIS 341 -1.617 -2.348 2.650 235 HD1 HIS 341 HD1 HIS 341 -0.466 -0.096 4.832 236 HD2 HIS 341 HD2 HIS 341 1.444 -1.845 1.590 237 HE1 HIS 341 HE1 HIS 341 2.010 0.187 5.225 238 HA PRO 342 HA PRO 342 -4.624 -1.641 -1.879 239 HB2 PRO 342 HB2 PRO 342 -5.027 -4.428 -2.012 240 HB3 PRO 342 HB1 PRO 342 -4.081 -3.474 -3.174 241 HG2 PRO 342 HG2 PRO 342 -3.125 -5.075 -0.832 242 HG3 PRO 342 HG1 PRO 342 -2.422 -4.924 -2.457 243 HD2 PRO 342 HD2 PRO 342 -1.358 -3.593 -0.386 244 HD3 PRO 342 HD1 PRO 342 -1.454 -2.831 -1.991 245 H THR 343 HN THR 343 -4.100 -3.304 1.140 246 HA THR 343 HA THR 343 -6.842 -3.723 1.866 247 HB THR 343 HB THR 343 -5.788 -4.119 4.170 248 HG1 THR 343 HG1 THR 343 -3.576 -4.022 4.318 249 HG21 THR 343 HG21 THR 343 -4.638 -6.197 3.522 250 HG22 THR 343 HG22 THR 343 -4.570 -5.653 1.847 251 HG23 THR 343 HG23 THR 343 -6.131 -5.993 2.595 252 H ASP 344 HN ASP 344 -4.489 -1.124 2.299 253 HA ASP 344 HA ASP 344 -6.424 0.478 3.891 254 HB2 ASP 344 HB2 ASP 344 -4.204 0.088 4.967 255 HB3 ASP 344 HB1 ASP 344 -3.409 0.843 3.588 256 H LYS 345 HN LYS 345 -7.602 1.688 2.579 257 HA LYS 345 HA LYS 345 -6.382 3.126 0.286 258 HB2 LYS 345 HB2 LYS 345 -7.656 1.151 -0.536 259 HB3 LYS 345 HB1 LYS 345 -9.079 1.692 0.347 260 HG2 LYS 345 HG2 LYS 345 -9.099 3.769 -1.093 261 HG3 LYS 345 HG1 LYS 345 -7.781 3.071 -2.033 262 HD2 LYS 345 HD2 LYS 345 -9.927 2.725 -3.158 263 HD3 LYS 345 HD1 LYS 345 -9.231 1.177 -2.672 264 HE2 LYS 345 HE2 LYS 345 -11.641 1.214 -2.219 265 HE3 LYS 345 HE1 LYS 345 -10.747 1.133 -0.702 266 HZ1 LYS 345 HZ1 LYS 345 -12.520 2.713 -0.511 267 HZ2 LYS 345 HZ2 LYS 345 -12.004 3.548 -1.882 268 HZ3 LYS 345 HZ3 LYS 345 -11.059 3.557 -0.485 269 H GLU 346 HN GLU 346 -7.294 5.173 -0.164 270 HA GLU 346 HA GLU 346 -8.488 6.738 1.837 271 HB2 GLU 346 HB2 GLU 346 -8.581 7.101 -1.189 272 HB3 GLU 346 HB1 GLU 346 -8.980 8.351 -0.017 273 HG2 GLU 346 HG2 GLU 346 -6.251 7.051 -0.283 274 HG3 GLU 346 HG1 GLU 346 -6.712 8.562 -1.055 Start of MODEL 20 1 H1 ASN 312 HT1 ASN 312 -11.047 -2.620 -10.470 2 H2 ASN 312 HT2 ASN 312 -10.081 -1.310 -10.025 3 H3 ASN 312 HT3 ASN 312 -9.365 -2.728 -10.585 4 HA ASN 312 HA ASN 312 -10.310 -2.435 -12.757 5 HB2 ASN 312 HB2 ASN 312 -11.426 0.158 -11.581 6 HB3 ASN 312 HB1 ASN 312 -11.465 -0.255 -13.295 7 HD21 ASN 312 HD21 ASN 312 -13.755 -0.075 -13.265 8 HD22 ASN 312 HD22 ASN 312 -14.745 -1.328 -12.594 9 H ASN 313 HN ASN 313 -9.513 0.659 -11.191 10 HA ASN 313 HA ASN 313 -6.963 0.804 -12.685 11 HB2 ASN 313 HB2 ASN 313 -7.227 3.298 -12.531 12 HB3 ASN 313 HB1 ASN 313 -8.519 2.536 -13.448 13 HD21 ASN 313 HD21 ASN 313 -7.746 4.362 -10.595 14 HD22 ASN 313 HD22 ASN 313 -9.371 4.604 -10.061 15 H LYS 314 HN LYS 314 -5.185 0.683 -11.440 16 HA LYS 314 HA LYS 314 -5.313 1.489 -8.580 17 HB2 LYS 314 HB2 LYS 314 -3.825 -0.362 -7.967 18 HB3 LYS 314 HB1 LYS 314 -5.297 -0.984 -8.687 19 HG2 LYS 314 HG2 LYS 314 -2.735 -0.692 -10.282 20 HG3 LYS 314 HG1 LYS 314 -3.070 -2.123 -9.305 21 HD2 LYS 314 HD2 LYS 314 -5.098 -2.572 -10.624 22 HD3 LYS 314 HD1 LYS 314 -4.829 -1.104 -11.571 23 HE2 LYS 314 HE2 LYS 314 -2.752 -2.036 -12.475 24 HE3 LYS 314 HE1 LYS 314 -2.936 -3.484 -11.477 25 HZ1 LYS 314 HZ1 LYS 314 -4.780 -2.611 -13.641 26 HZ2 LYS 314 HZ2 LYS 314 -5.001 -3.977 -12.672 27 HZ3 LYS 314 HZ3 LYS 314 -3.686 -3.888 -13.730 28 H TYR 315 HN TYR 315 -4.475 2.973 -10.967 29 HA TYR 315 HA TYR 315 -1.626 3.068 -11.171 30 HB2 TYR 315 HB2 TYR 315 -3.672 5.193 -11.973 31 HB3 TYR 315 HB1 TYR 315 -1.993 5.129 -12.500 32 HD1 TYR 315 HD1 TYR 315 -1.241 3.109 -13.923 33 HD2 TYR 315 HD2 TYR 315 -5.353 4.012 -13.187 34 HE1 TYR 315 HE1 TYR 315 -1.898 1.716 -15.842 35 HE2 TYR 315 HE2 TYR 315 -6.004 2.623 -15.101 36 HH TYR 315 HH TYR 315 -3.805 0.512 -16.692 37 H LYS 316 HN LYS 316 -4.024 4.850 -9.310 38 HA LYS 316 HA LYS 316 -2.381 6.831 -8.124 39 HB2 LYS 316 HB2 LYS 316 -4.881 6.901 -8.188 40 HB3 LYS 316 HB1 LYS 316 -4.951 5.544 -7.075 41 HG2 LYS 316 HG2 LYS 316 -5.419 7.577 -5.864 42 HG3 LYS 316 HG1 LYS 316 -3.853 6.957 -5.333 43 HD2 LYS 316 HD2 LYS 316 -2.676 8.629 -6.632 44 HD3 LYS 316 HD1 LYS 316 -4.169 9.153 -7.417 45 HE2 LYS 316 HE2 LYS 316 -3.472 10.750 -5.685 46 HE3 LYS 316 HE1 LYS 316 -5.007 10.002 -5.249 47 HZ1 LYS 316 HZ1 LYS 316 -3.788 8.507 -3.771 48 HZ2 LYS 316 HZ2 LYS 316 -3.546 10.123 -3.354 49 HZ3 LYS 316 HZ3 LYS 316 -2.335 9.271 -4.170 50 H THR 317 HN THR 317 -3.356 3.569 -7.107 51 HA THR 317 HA THR 317 -2.040 3.721 -4.546 52 HB THR 317 HB THR 317 -2.729 1.307 -4.323 53 HG1 THR 317 HG1 THR 317 -2.691 1.057 -6.759 54 HG21 THR 317 HG21 THR 317 -4.964 3.158 -5.238 55 HG22 THR 317 HG22 THR 317 -4.283 3.095 -3.611 56 HG23 THR 317 HG23 THR 317 -5.160 1.706 -4.252 57 H LYS 318 HN LYS 318 0.118 3.635 -4.432 58 HA LYS 318 HA LYS 318 1.855 2.168 -6.202 59 HB2 LYS 318 HB2 LYS 318 2.383 3.482 -3.480 60 HB3 LYS 318 HB1 LYS 318 3.630 2.722 -4.460 61 HG2 LYS 318 HG2 LYS 318 3.812 5.086 -4.791 62 HG3 LYS 318 HG1 LYS 318 3.150 4.400 -6.276 63 HD2 LYS 318 HD2 LYS 318 0.888 5.133 -5.609 64 HD3 LYS 318 HD1 LYS 318 1.538 5.809 -4.112 65 HE2 LYS 318 HE2 LYS 318 1.165 7.560 -5.800 66 HE3 LYS 318 HE1 LYS 318 2.881 7.419 -5.417 67 HZ1 LYS 318 HZ1 LYS 318 1.539 6.262 -7.809 68 HZ2 LYS 318 HZ2 LYS 318 3.177 6.132 -7.452 69 HZ3 LYS 318 HZ3 LYS 318 2.514 7.643 -7.798 70 H LEU 319 HN LEU 319 1.033 0.061 -6.154 71 HA LEU 319 HA LEU 319 -0.028 -1.100 -3.770 72 HB2 LEU 319 HB2 LEU 319 -0.954 -1.429 -6.051 73 HB3 LEU 319 HB1 LEU 319 0.455 -2.361 -6.502 74 HG LEU 319 HG LEU 319 -1.158 -3.340 -4.141 75 HD11 LEU 319 HD11 LEU 319 -2.108 -3.732 -6.999 76 HD12 LEU 319 HD12 LEU 319 -2.915 -2.784 -5.747 77 HD13 LEU 319 HD13 LEU 319 -2.760 -4.525 -5.560 78 HD21 LEU 319 HD21 LEU 319 -0.565 -5.563 -5.001 79 HD22 LEU 319 HD22 LEU 319 0.872 -4.570 -4.783 80 HD23 LEU 319 HD23 LEU 319 0.223 -4.833 -6.403 81 H CYS 320 HN CYS 320 0.976 -2.276 -2.268 82 HA CYS 320 HA CYS 320 3.706 -3.155 -2.511 83 HB2 CYS 320 HB2 CYS 320 1.639 -3.594 -0.320 84 HB3 CYS 320 HB1 CYS 320 3.336 -4.064 -0.199 85 H LYS 321 HN LYS 321 4.256 -4.960 -3.546 86 HA LYS 321 HA LYS 321 2.642 -7.152 -4.245 87 HB2 LYS 321 HB2 LYS 321 4.765 -8.349 -4.704 88 HB3 LYS 321 HB1 LYS 321 4.812 -6.704 -5.332 89 HG2 LYS 321 HG2 LYS 321 6.202 -5.971 -3.458 90 HG3 LYS 321 HG1 LYS 321 6.071 -7.562 -2.703 91 HD2 LYS 321 HD2 LYS 321 8.237 -7.382 -3.793 92 HD3 LYS 321 HD1 LYS 321 7.259 -8.568 -4.659 93 HE2 LYS 321 HE2 LYS 321 6.732 -6.851 -6.366 94 HE3 LYS 321 HE1 LYS 321 7.743 -5.692 -5.497 95 HZ1 LYS 321 HZ1 LYS 321 8.726 -8.264 -6.628 96 HZ2 LYS 321 HZ2 LYS 321 9.661 -7.065 -5.895 97 HZ3 LYS 321 HZ3 LYS 321 8.899 -6.767 -7.368 98 H ASN 322 HN ASN 322 4.253 -6.314 -1.302 99 HA ASN 322 HA ASN 322 4.517 -8.722 0.087 100 HB2 ASN 322 HB2 ASN 322 3.720 -6.019 1.285 101 HB3 ASN 322 HB1 ASN 322 4.526 -7.338 2.128 102 HD21 ASN 322 HD21 ASN 322 6.763 -7.507 1.961 103 HD22 ASN 322 HD22 ASN 322 7.739 -6.364 1.121 104 H PHE 323 HN PHE 323 1.767 -6.470 -0.107 105 HA PHE 323 HA PHE 323 0.048 -8.185 1.521 106 HB2 PHE 323 HB2 PHE 323 -0.249 -5.370 0.402 107 HB3 PHE 323 HB1 PHE 323 -1.638 -6.236 1.058 108 HD1 PHE 323 HD1 PHE 323 1.767 -4.973 1.944 109 HD2 PHE 323 HD2 PHE 323 -1.994 -6.384 3.413 110 HE1 PHE 323 HE1 PHE 323 2.414 -4.337 4.236 111 HE2 PHE 323 HE2 PHE 323 -1.339 -5.738 5.691 112 HZ PHE 323 HZ PHE 323 0.864 -4.722 6.109 113 H ALA 324 HN ALA 324 0.650 -7.665 -1.817 114 HA ALA 324 HA ALA 324 -1.833 -8.528 -2.918 115 HB1 ALA 324 HB1 ALA 324 0.972 -8.758 -4.085 116 HB2 ALA 324 HB2 ALA 324 -0.128 -7.395 -4.300 117 HB3 ALA 324 HB3 ALA 324 -0.534 -8.972 -4.983 118 H ARG 325 HN ARG 325 -2.484 -10.622 -3.548 119 HA ARG 325 HA ARG 325 -1.949 -12.675 -1.713 120 HB2 ARG 325 HB2 ARG 325 -4.123 -12.453 -2.831 121 HB3 ARG 325 HB1 ARG 325 -3.396 -12.800 -4.393 122 HG2 ARG 325 HG2 ARG 325 -4.690 -14.714 -3.453 123 HG3 ARG 325 HG1 ARG 325 -3.001 -15.111 -3.773 124 HD2 ARG 325 HD2 ARG 325 -3.829 -16.057 -1.627 125 HD3 ARG 325 HD1 ARG 325 -2.463 -14.963 -1.403 126 HE ARG 325 HE ARG 325 -4.590 -13.340 -0.997 127 HH11 ARG 325 HH11 ARG 325 -3.762 -16.492 0.420 128 HH12 ARG 325 HH12 ARG 325 -4.566 -16.142 1.919 129 HH21 ARG 325 HH21 ARG 325 -5.586 -12.904 0.986 130 HH22 ARG 325 HH22 ARG 325 -5.602 -14.103 2.239 131 H GLY 326 HN GLY 326 -0.686 -14.501 -1.763 132 HA2 GLY 326 HA2 GLY 326 0.999 -15.942 -2.601 133 HA3 GLY 326 HA1 GLY 326 1.264 -14.855 -3.964 134 H GLY 327 HN GLY 327 0.924 -12.809 -1.487 135 HA2 GLY 327 HA2 GLY 327 3.783 -12.407 -1.096 136 HA3 GLY 327 HA1 GLY 327 2.482 -11.305 -0.675 137 H THR 328 HN THR 328 4.437 -11.596 1.072 138 HA THR 328 HA THR 328 3.907 -13.614 3.086 139 HB THR 328 HB THR 328 6.217 -12.965 2.693 140 HG1 THR 328 HG1 THR 328 5.090 -12.892 5.124 141 HG21 THR 328 HG21 THR 328 5.866 -10.631 1.932 142 HG22 THR 328 HG22 THR 328 7.108 -10.739 3.179 143 HG23 THR 328 HG23 THR 328 5.498 -10.155 3.592 144 H GLY 329 HN GLY 329 2.740 -10.478 2.389 145 HA2 GLY 329 HA2 GLY 329 1.018 -9.279 3.365 146 HA3 GLY 329 HA1 GLY 329 1.015 -10.398 4.715 147 H PHE 330 HN PHE 330 4.118 -9.531 4.420 148 HA PHE 330 HA PHE 330 3.967 -7.348 6.402 149 HB2 PHE 330 HB2 PHE 330 6.141 -9.453 5.949 150 HB3 PHE 330 HB1 PHE 330 6.227 -8.159 7.135 151 HD1 PHE 330 HD1 PHE 330 5.241 -11.553 6.592 152 HD2 PHE 330 HD2 PHE 330 4.346 -8.096 8.949 153 HE1 PHE 330 HE1 PHE 330 4.162 -12.981 8.286 154 HE2 PHE 330 HE2 PHE 330 3.269 -9.533 10.635 155 HZ PHE 330 HZ PHE 330 3.178 -11.972 10.307 156 H CYS 331 HN CYS 331 4.354 -5.437 5.356 157 HA CYS 331 HA CYS 331 6.406 -5.172 3.320 158 HB2 CYS 331 HB2 CYS 331 4.706 -3.129 4.806 159 HB3 CYS 331 HB1 CYS 331 5.988 -2.663 3.682 160 HA PRO 332 HA PRO 332 9.755 -5.109 6.229 161 HB2 PRO 332 HB2 PRO 332 11.724 -3.800 4.814 162 HB3 PRO 332 HB1 PRO 332 11.157 -5.430 4.402 163 HG2 PRO 332 HG2 PRO 332 10.358 -2.806 3.173 164 HG3 PRO 332 HG1 PRO 332 10.804 -4.334 2.375 165 HD2 PRO 332 HD2 PRO 332 8.211 -3.624 2.697 166 HD3 PRO 332 HD1 PRO 332 8.726 -5.325 2.789 167 H TYR 333 HN TYR 333 8.520 -2.085 5.062 168 HA TYR 333 HA TYR 333 9.825 -0.475 7.144 169 HB2 TYR 333 HB2 TYR 333 7.938 0.374 4.903 170 HB3 TYR 333 HB1 TYR 333 8.854 1.454 5.950 171 HD1 TYR 333 HD1 TYR 333 8.891 -0.350 2.836 172 HD2 TYR 333 HD2 TYR 333 11.446 1.278 5.853 173 HE1 TYR 333 HE1 TYR 333 10.781 -0.394 1.257 174 HE2 TYR 333 HE2 TYR 333 13.327 1.236 4.277 175 HH TYR 333 HH TYR 333 13.997 -0.007 2.232 176 H GLY 334 HN GLY 334 6.855 -2.120 6.557 177 HA2 GLY 334 HA2 GLY 334 4.988 -2.447 7.826 178 HA3 GLY 334 HA1 GLY 334 5.814 -1.634 9.143 179 H LEU 335 HN LEU 335 5.099 0.333 9.744 180 HA LEU 335 HA LEU 335 2.718 1.476 8.580 181 HB2 LEU 335 HB2 LEU 335 3.139 1.500 11.037 182 HB3 LEU 335 HB1 LEU 335 4.521 2.552 10.793 183 HG LEU 335 HG LEU 335 3.014 4.362 9.986 184 HD11 LEU 335 HD11 LEU 335 1.219 3.058 9.003 185 HD12 LEU 335 HD12 LEU 335 0.572 4.182 10.194 186 HD13 LEU 335 HD13 LEU 335 0.727 2.469 10.593 187 HD21 LEU 335 HD21 LEU 335 1.969 4.919 12.139 188 HD22 LEU 335 HD22 LEU 335 3.598 4.286 12.361 189 HD23 LEU 335 HD23 LEU 335 2.202 3.257 12.694 190 H ARG 336 HN ARG 336 6.156 2.203 8.544 191 HA ARG 336 HA ARG 336 5.824 4.755 7.167 192 HB2 ARG 336 HB2 ARG 336 8.316 3.223 8.021 193 HB3 ARG 336 HB1 ARG 336 8.336 4.794 7.221 194 HG2 ARG 336 HG2 ARG 336 7.003 5.707 9.175 195 HG3 ARG 336 HG1 ARG 336 7.269 4.164 9.994 196 HD2 ARG 336 HD2 ARG 336 8.909 5.891 10.682 197 HD3 ARG 336 HD1 ARG 336 9.697 4.508 9.908 198 HE ARG 336 HE ARG 336 9.072 6.602 8.054 199 HH11 ARG 336 HH11 ARG 336 12.763 6.583 9.692 200 HH12 ARG 336 HH12 ARG 336 11.503 5.647 10.439 201 HH21 ARG 336 HH21 ARG 336 10.726 7.793 7.089 202 HH22 ARG 336 HH22 ARG 336 12.312 7.799 7.786 203 H CYS 337 HN CYS 337 5.130 2.013 5.912 204 HA CYS 337 HA CYS 337 6.927 1.548 3.764 205 HB2 CYS 337 HB2 CYS 337 5.266 -0.119 4.595 206 HB3 CYS 337 HB1 CYS 337 3.960 0.865 3.957 207 H GLU 338 HN GLU 338 7.304 2.849 2.134 208 HA GLU 338 HA GLU 338 5.785 5.183 1.506 209 HB2 GLU 338 HB2 GLU 338 7.470 5.506 -0.301 210 HB3 GLU 338 HB1 GLU 338 8.192 5.211 1.279 211 HG2 GLU 338 HG2 GLU 338 8.560 2.832 0.630 212 HG3 GLU 338 HG1 GLU 338 7.919 3.202 -0.970 213 H PHE 339 HN PHE 339 5.611 1.946 0.402 214 HA PHE 339 HA PHE 339 3.931 2.623 -1.906 215 HB2 PHE 339 HB2 PHE 339 4.811 -0.089 -0.792 216 HB3 PHE 339 HB1 PHE 339 3.887 0.154 -2.273 217 HD1 PHE 339 HD1 PHE 339 7.210 0.157 -0.787 218 HD2 PHE 339 HD2 PHE 339 4.964 1.349 -4.232 219 HE1 PHE 339 HE1 PHE 339 9.299 0.443 -2.056 220 HE2 PHE 339 HE2 PHE 339 7.063 1.624 -5.489 221 HZ PHE 339 HZ PHE 339 9.227 1.176 -4.405 222 H VAL 340 HN VAL 340 1.825 2.999 -1.529 223 HA VAL 340 HA VAL 340 0.607 2.463 1.021 224 HB VAL 340 HB VAL 340 0.011 4.520 -0.166 225 HG11 VAL 340 HG11 VAL 340 -1.396 4.561 -2.171 226 HG12 VAL 340 HG12 VAL 340 -1.317 2.800 -2.280 227 HG13 VAL 340 HG13 VAL 340 0.148 3.765 -2.485 228 HG21 VAL 340 HG21 VAL 340 -1.620 3.615 1.434 229 HG22 VAL 340 HG22 VAL 340 -2.404 2.692 0.149 230 HG23 VAL 340 HG23 VAL 340 -2.445 4.459 0.121 231 H HIS 341 HN HIS 341 -0.802 0.898 1.570 232 HA HIS 341 HA HIS 341 -0.708 -1.510 -0.018 233 HB2 HIS 341 HB2 HIS 341 -2.188 -1.078 2.616 234 HB3 HIS 341 HB1 HIS 341 -1.614 -2.611 1.958 235 HD1 HIS 341 HD1 HIS 341 -0.685 -0.475 4.573 236 HD2 HIS 341 HD2 HIS 341 1.378 -2.106 1.374 237 HE1 HIS 341 HE1 HIS 341 1.762 -0.331 5.180 238 HA PRO 342 HA PRO 342 -4.616 -0.942 -2.196 239 HB2 PRO 342 HB2 PRO 342 -5.294 -3.680 -2.416 240 HB3 PRO 342 HB1 PRO 342 -4.276 -2.774 -3.547 241 HG2 PRO 342 HG2 PRO 342 -3.458 -4.560 -1.292 242 HG3 PRO 342 HG1 PRO 342 -2.743 -4.391 -2.912 243 HD2 PRO 342 HD2 PRO 342 -1.578 -3.278 -0.767 244 HD3 PRO 342 HD1 PRO 342 -1.586 -2.428 -2.335 245 H THR 343 HN THR 343 -4.544 -3.350 0.470 246 HA THR 343 HA THR 343 -7.044 -2.176 1.558 247 HB THR 343 HB THR 343 -5.823 -4.856 2.375 248 HG1 THR 343 HG1 THR 343 -6.916 -5.843 0.806 249 HG21 THR 343 HG21 THR 343 -8.101 -5.373 3.168 250 HG22 THR 343 HG22 THR 343 -8.669 -3.788 2.638 251 HG23 THR 343 HG23 THR 343 -7.494 -3.912 3.953 252 H ASP 344 HN ASP 344 -5.714 -0.386 2.247 253 HA ASP 344 HA ASP 344 -3.705 -0.836 4.353 254 HB2 ASP 344 HB2 ASP 344 -3.219 0.714 2.434 255 HB3 ASP 344 HB1 ASP 344 -4.538 1.749 2.952 256 H LYS 345 HN LYS 345 -4.456 -0.899 6.389 257 HA LYS 345 HA LYS 345 -5.533 -0.456 8.341 258 HB2 LYS 345 HB2 LYS 345 -5.725 2.317 7.099 259 HB3 LYS 345 HB1 LYS 345 -6.106 1.970 8.783 260 HG2 LYS 345 HG2 LYS 345 -3.803 1.316 9.230 261 HG3 LYS 345 HG1 LYS 345 -3.392 1.458 7.521 262 HD2 LYS 345 HD2 LYS 345 -2.514 3.397 8.622 263 HD3 LYS 345 HD1 LYS 345 -3.896 3.939 7.676 264 HE2 LYS 345 HE2 LYS 345 -3.982 3.378 10.662 265 HE3 LYS 345 HE1 LYS 345 -3.706 4.970 9.962 266 HZ1 LYS 345 HZ1 LYS 345 -6.168 3.324 9.747 267 HZ2 LYS 345 HZ2 LYS 345 -5.888 4.708 8.824 268 HZ3 LYS 345 HZ3 LYS 345 -5.986 4.821 10.500 269 H GLU 346 HN GLU 346 -7.117 -1.365 6.030 270 HA GLU 346 HA GLU 346 -9.804 -0.246 6.457 271 HB2 GLU 346 HB2 GLU 346 -8.907 -0.320 4.154 272 HB3 GLU 346 HB1 GLU 346 -8.677 -2.060 4.278 273 HG2 GLU 346 HG2 GLU 346 -11.123 -2.361 4.479 274 HG3 GLU 346 HG1 GLU 346 -11.349 -0.616 4.342
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