NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633085 | 6e5h | 30496 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 HT1 ASN 1 9.146 -5.601 3.229 2 H2 ASN 1 HT2 ASN 1 10.613 -5.928 4.009 3 H3 ASN 1 HT3 ASN 1 10.553 -5.870 2.321 4 HA ASN 1 HA ASN 1 10.163 -3.624 4.198 5 HB2 ASN 1 HB2 ASN 1 12.318 -4.214 2.160 6 HB3 ASN 1 HB1 ASN 1 12.155 -2.685 3.014 7 HD21 ASN 1 HD21 ASN 1 14.370 -4.532 3.031 8 HD22 ASN 1 HD22 ASN 1 14.593 -5.012 4.678 9 H ASP 2 HN ASP 2 9.503 -4.938 1.087 10 HA ASP 2 HA ASP 2 8.787 -2.448 -0.159 11 HB2 ASP 2 HB2 ASP 2 8.106 -5.315 -0.866 12 HB3 ASP 2 HB1 ASP 2 7.643 -3.925 -1.835 13 H LYS 3 HN LYS 3 7.483 -1.569 1.539 14 HA LYS 3 HA LYS 3 5.353 -3.040 2.673 15 HB2 LYS 3 HB2 LYS 3 6.079 -0.124 2.809 16 HB3 LYS 3 HB1 LYS 3 4.693 -0.800 3.658 17 HG2 LYS 3 HG2 LYS 3 7.575 -1.604 4.037 18 HG3 LYS 3 HG1 LYS 3 6.599 -0.633 5.142 19 HD2 LYS 3 HD2 LYS 3 5.113 -2.501 5.530 20 HD3 LYS 3 HD1 LYS 3 5.971 -3.473 4.338 21 HE2 LYS 3 HE2 LYS 3 7.999 -3.337 5.719 22 HE3 LYS 3 HE1 LYS 3 7.091 -2.428 6.927 23 HZ1 LYS 3 HZ1 LYS 3 6.411 -5.177 6.029 24 HZ2 LYS 3 HZ2 LYS 3 5.665 -4.305 7.276 25 HZ3 LYS 3 HZ3 LYS 3 7.270 -4.809 7.442 26 H CYS 4 HN CYS 4 5.529 -0.829 -0.018 27 HA CYS 4 HA CYS 4 2.774 -0.400 -0.349 28 HB2 CYS 4 HB2 CYS 4 4.532 0.813 -1.627 29 HB3 CYS 4 HB1 CYS 4 4.876 -0.665 -2.514 30 H LYS 5 HN LYS 5 4.922 -2.934 -1.552 31 HA LYS 5 HA LYS 5 2.925 -4.400 -2.916 32 HB2 LYS 5 HB2 LYS 5 5.712 -4.973 -2.001 33 HB3 LYS 5 HB1 LYS 5 4.698 -6.312 -2.508 34 HG2 LYS 5 HG2 LYS 5 6.073 -5.577 -4.337 35 HG3 LYS 5 HG1 LYS 5 4.384 -5.234 -4.691 36 HD2 LYS 5 HD2 LYS 5 4.732 -2.894 -4.061 37 HD3 LYS 5 HD1 LYS 5 6.423 -3.244 -3.693 38 HE2 LYS 5 HE2 LYS 5 6.221 -2.238 -5.899 39 HE3 LYS 5 HE1 LYS 5 6.788 -3.901 -6.028 40 HZ1 LYS 5 HZ1 LYS 5 4.478 -4.557 -6.524 41 HZ2 LYS 5 HZ2 LYS 5 5.121 -3.505 -7.678 42 HZ3 LYS 5 HZ3 LYS 5 4.029 -2.927 -6.526 43 H GLU 6 HN GLU 6 4.413 -4.758 0.278 44 HA GLU 6 HA GLU 6 3.114 -7.104 1.040 45 HB2 GLU 6 HB2 GLU 6 4.217 -4.815 2.671 46 HB3 GLU 6 HB1 GLU 6 3.571 -6.275 3.406 47 HG2 GLU 6 HG2 GLU 6 5.259 -7.621 2.435 48 HG3 GLU 6 HG1 GLU 6 5.790 -6.320 1.376 49 H LEU 7 HN LEU 7 2.142 -3.719 1.487 50 HA LEU 7 HA LEU 7 -0.226 -4.348 2.926 51 HB2 LEU 7 HB2 LEU 7 0.556 -1.877 1.387 52 HB3 LEU 7 HB1 LEU 7 -0.858 -1.995 2.414 53 HG LEU 7 HG LEU 7 1.977 -2.349 3.396 54 HD11 LEU 7 HD11 LEU 7 1.750 -0.115 4.351 55 HD12 LEU 7 HD12 LEU 7 0.172 0.060 3.586 56 HD13 LEU 7 HD13 LEU 7 1.624 -0.070 2.593 57 HD21 LEU 7 HD21 LEU 7 0.280 -3.471 4.761 58 HD22 LEU 7 HD22 LEU 7 -0.615 -1.958 4.889 59 HD23 LEU 7 HD23 LEU 7 0.988 -2.097 5.608 60 H LYS 8 HN LYS 8 0.463 -3.697 -0.491 61 HA LYS 8 HA LYS 8 -2.288 -3.811 -1.259 62 HB2 LYS 8 HB2 LYS 8 0.285 -3.807 -2.808 63 HB3 LYS 8 HB1 LYS 8 -1.269 -4.001 -3.603 64 HG2 LYS 8 HG2 LYS 8 -2.005 -1.860 -2.716 65 HG3 LYS 8 HG1 LYS 8 -0.462 -1.662 -1.888 66 HD2 LYS 8 HD2 LYS 8 -0.508 -0.376 -3.951 67 HD3 LYS 8 HD1 LYS 8 0.687 -1.669 -4.050 68 HE2 LYS 8 HE2 LYS 8 -0.643 -1.425 -6.115 69 HE3 LYS 8 HE1 LYS 8 -0.809 -3.014 -5.374 70 HZ1 LYS 8 HZ1 LYS 8 -2.919 -2.337 -4.443 71 HZ2 LYS 8 HZ2 LYS 8 -2.935 -2.124 -6.117 72 HZ3 LYS 8 HZ3 LYS 8 -2.755 -0.789 -5.100 73 H LYS 9 HN LYS 9 0.046 -6.212 -0.613 74 HA LYS 9 HA LYS 9 -1.391 -8.252 -2.098 75 HB2 LYS 9 HB2 LYS 9 1.012 -8.376 -0.271 76 HB3 LYS 9 HB1 LYS 9 0.284 -9.799 -1.005 77 HG2 LYS 9 HG2 LYS 9 0.793 -8.970 -3.214 78 HG3 LYS 9 HG1 LYS 9 1.411 -7.464 -2.537 79 HD2 LYS 9 HD2 LYS 9 3.184 -8.694 -1.400 80 HD3 LYS 9 HD1 LYS 9 2.557 -10.211 -2.047 81 HE2 LYS 9 HE2 LYS 9 2.989 -9.418 -4.320 82 HE3 LYS 9 HE1 LYS 9 3.603 -7.897 -3.675 83 HZ1 LYS 9 HZ1 LYS 9 5.395 -9.079 -2.615 84 HZ2 LYS 9 HZ2 LYS 9 5.375 -9.459 -4.263 85 HZ3 LYS 9 HZ3 LYS 9 4.781 -10.565 -3.135 86 H ARG 10 HN ARG 10 -0.834 -7.318 1.275 87 HA ARG 10 HA ARG 10 -2.359 -9.441 2.383 88 HB2 ARG 10 HB2 ARG 10 -1.573 -6.763 3.543 89 HB3 ARG 10 HB1 ARG 10 -2.340 -8.052 4.460 90 HG2 ARG 10 HG2 ARG 10 -0.446 -9.507 4.057 91 HG3 ARG 10 HG1 ARG 10 0.315 -8.264 3.056 92 HD2 ARG 10 HD2 ARG 10 0.329 -6.763 5.042 93 HD3 ARG 10 HD1 ARG 10 -0.278 -8.105 6.013 94 HE ARG 10 HE ARG 10 1.962 -9.119 4.851 95 HH11 ARG 10 HH11 ARG 10 2.904 -6.192 7.431 96 HH12 ARG 10 HH12 ARG 10 1.293 -6.284 6.794 97 HH21 ARG 10 HH21 ARG 10 4.085 -8.992 5.694 98 HH22 ARG 10 HH22 ARG 10 4.486 -7.727 6.809 99 H TYR 11 HN TYR 11 -3.123 -6.074 1.594 100 HA TYR 11 HA TYR 11 -5.903 -6.479 2.372 101 HB2 TYR 11 HB2 TYR 11 -4.437 -4.041 1.359 102 HB3 TYR 11 HB1 TYR 11 -6.143 -4.072 1.775 103 HD1 TYR 11 HD1 TYR 11 -6.817 -4.527 4.143 104 HD2 TYR 11 HD2 TYR 11 -2.783 -3.787 3.021 105 HE1 TYR 11 HE1 TYR 11 -6.271 -3.992 6.478 106 HE2 TYR 11 HE2 TYR 11 -2.226 -3.256 5.350 107 HH TYR 11 HH TYR 11 -4.347 -3.917 7.950 108 H AIB 12 HN AIB 12 -5.522 -8.175 0.442 109 HB11 AIB 12 HB11 AIB 12 -6.597 -9.631 -2.634 110 HB12 AIB 12 HB12 AIB 12 -6.832 -9.830 -0.900 111 HB13 AIB 12 HB13 AIB 12 -5.204 -9.665 -1.555 112 HB21 AIB 12 HB21 AIB 12 -5.406 -6.160 -2.451 113 HB22 AIB 12 HB22 AIB 12 -5.877 -7.452 -3.554 114 HB23 AIB 12 HB23 AIB 12 -4.455 -7.643 -2.530 115 H GLY 13 HN GLY 13 -7.223 -5.669 -2.477 116 HA2 GLY 13 HA2 GLY 13 -9.596 -5.769 -3.418 117 HA3 GLY 13 HA1 GLY 13 -10.014 -6.290 -1.794 118 H CYS 14 HN CYS 14 -7.840 -4.400 -0.782 119 HA CYS 14 HA CYS 14 -9.613 -2.107 -0.572 120 HB2 CYS 14 HB2 CYS 14 -6.981 -2.655 0.793 121 HB3 CYS 14 HB1 CYS 14 -8.071 -1.327 1.160 122 H GLU 15 HN GLU 15 -8.855 0.049 -0.835 123 HA GLU 15 HA GLU 15 -7.029 0.364 -3.069 124 HB2 GLU 15 HB2 GLU 15 -9.106 1.629 -3.119 125 HB3 GLU 15 HB1 GLU 15 -8.750 2.337 -1.551 126 HG2 GLU 15 HG2 GLU 15 -8.310 3.966 -3.228 127 HG3 GLU 15 HG1 GLU 15 -6.767 3.436 -2.562 128 H VAL 16 HN VAL 16 -5.011 -0.051 -2.221 129 HA VAL 16 HA VAL 16 -4.131 1.522 0.072 130 HB VAL 16 HB VAL 16 -2.568 -0.522 -1.509 131 HG11 VAL 16 HG11 VAL 16 -1.121 1.051 -0.391 132 HG12 VAL 16 HG12 VAL 16 -1.063 -0.496 0.457 133 HG13 VAL 16 HG13 VAL 16 -2.003 0.840 1.120 134 HG21 VAL 16 HG21 VAL 16 -2.950 -2.009 0.434 135 HG22 VAL 16 HG22 VAL 16 -4.431 -1.613 -0.435 136 HG23 VAL 16 HG23 VAL 16 -4.065 -0.812 1.091 137 H ARG 17 HN ARG 17 -3.688 3.548 -0.465 138 HA ARG 17 HA ARG 17 -2.447 4.168 -3.011 139 HB2 ARG 17 HB2 ARG 17 -4.244 5.613 -2.115 140 HB3 ARG 17 HB1 ARG 17 -3.216 6.004 -0.744 141 HG2 ARG 17 HG2 ARG 17 -1.558 6.960 -2.320 142 HG3 ARG 17 HG1 ARG 17 -2.707 6.680 -3.630 143 HD2 ARG 17 HD2 ARG 17 -3.203 8.386 -1.197 144 HD3 ARG 17 HD1 ARG 17 -2.782 8.992 -2.798 145 HE ARG 17 HE ARG 17 -4.942 7.777 -3.487 146 HH11 ARG 17 HH11 ARG 17 -4.437 9.278 -0.357 147 HH12 ARG 17 HH12 ARG 17 -6.111 9.709 -0.164 148 HH21 ARG 17 HH21 ARG 17 -7.135 8.345 -3.231 149 HH22 ARG 17 HH22 ARG 17 -7.644 9.187 -1.804 150 H CYS 18 HN CYS 18 -0.349 3.867 -3.180 151 HA CYS 18 HA CYS 18 1.385 4.238 -0.883 152 HB2 CYS 18 HB2 CYS 18 2.036 3.348 -3.702 153 HB3 CYS 18 HB1 CYS 18 3.145 3.329 -2.336 154 H ASP 19 HN ASP 19 2.285 6.145 -0.483 155 HA ASP 19 HA ASP 19 3.021 7.875 -2.733 156 HB2 ASP 19 HB2 ASP 19 0.841 8.645 -1.787 157 HB3 ASP 19 HB1 ASP 19 1.636 8.861 -0.232 158 HA DPR 20 HA DPR 20 6.798 8.689 -0.604 159 HB2 DPR 20 HB2 DPR 20 8.409 7.618 -1.782 160 HB3 DPR 20 HB1 DPR 20 7.766 6.024 -1.382 161 HG2 DPR 20 HG2 DPR 20 6.992 7.883 -3.583 162 HG3 DPR 20 HG1 DPR 20 7.145 6.118 -3.610 163 HD2 DPR 20 HD2 DPR 20 4.754 7.321 -3.477 164 HD3 DPR 20 HD1 DPR 20 5.071 5.801 -2.618 165 HA PRO 21 HA PRO 21 7.179 6.094 3.050 166 HB2 PRO 21 HB2 PRO 21 7.411 8.073 4.824 167 HB3 PRO 21 HB1 PRO 21 8.724 7.702 3.699 168 HG2 PRO 21 HG2 PRO 21 6.686 9.883 3.577 169 HG3 PRO 21 HG1 PRO 21 8.415 9.948 3.201 170 HD2 PRO 21 HD2 PRO 21 6.396 9.695 1.323 171 HD3 PRO 21 HD1 PRO 21 8.085 9.222 1.066 172 H ARG 22 HN ARG 22 4.581 7.682 1.884 173 HA ARG 22 HA ARG 22 3.012 7.267 4.344 174 HB2 ARG 22 HB2 ARG 22 2.408 9.035 1.969 175 HB3 ARG 22 HB1 ARG 22 1.338 8.794 3.343 176 HG2 ARG 22 HG2 ARG 22 3.031 9.764 4.822 177 HG3 ARG 22 HG1 ARG 22 4.083 10.028 3.432 178 HD2 ARG 22 HD2 ARG 22 1.335 11.218 3.791 179 HD3 ARG 22 HD1 ARG 22 2.849 12.058 4.103 180 HE ARG 22 HE ARG 22 2.570 10.995 1.421 181 HH11 ARG 22 HH11 ARG 22 2.146 13.761 3.526 182 HH12 ARG 22 HH12 ARG 22 2.059 14.896 2.221 183 HH21 ARG 22 HH21 ARG 22 2.252 14.168 0.048 184 HH22 ARG 22 HH22 ARG 22 2.477 12.473 -0.288 185 H TYR 23 HN TYR 23 1.396 5.823 4.321 186 HA TYR 23 HA TYR 23 0.534 4.749 1.727 187 HB2 TYR 23 HB2 TYR 23 0.992 3.089 4.211 188 HB3 TYR 23 HB1 TYR 23 0.451 2.507 2.644 189 HD1 TYR 23 HD1 TYR 23 3.300 3.379 4.679 190 HD2 TYR 23 HD2 TYR 23 2.019 2.579 0.704 191 HE1 TYR 23 HE1 TYR 23 5.633 2.994 4.014 192 HE2 TYR 23 HE2 TYR 23 4.346 2.192 0.028 193 HH TYR 23 HH TYR 23 6.874 1.783 2.244 194 H GLU 24 HN GLU 24 -1.588 4.851 1.468 195 HA GLU 24 HA GLU 24 -3.234 5.248 3.882 196 HB2 GLU 24 HB2 GLU 24 -3.745 6.334 1.106 197 HB3 GLU 24 HB1 GLU 24 -4.727 6.629 2.532 198 HG2 GLU 24 HG2 GLU 24 -2.845 7.788 3.584 199 HG3 GLU 24 HG1 GLU 24 -1.875 7.509 2.140 200 H VAL 25 HN VAL 25 -4.137 3.338 4.284 201 HA VAL 25 HA VAL 25 -5.049 1.649 2.094 202 HB VAL 25 HB VAL 25 -5.037 1.162 5.082 203 HG11 VAL 25 HG11 VAL 25 -5.548 -1.178 4.507 204 HG12 VAL 25 HG12 VAL 25 -5.733 -0.709 2.818 205 HG13 VAL 25 HG13 VAL 25 -6.843 -0.078 4.032 206 HG21 VAL 25 HG21 VAL 25 -3.224 -0.422 4.572 207 HG22 VAL 25 HG22 VAL 25 -2.798 1.233 4.134 208 HG23 VAL 25 HG23 VAL 25 -3.272 0.085 2.885 209 H HIS 26 HN HIS 26 -6.990 2.005 1.288 210 HA HIS 26 HA HIS 26 -9.141 2.867 3.107 211 HB2 HIS 26 HB2 HIS 26 -8.455 4.573 1.427 212 HB3 HIS 26 HB1 HIS 26 -8.880 3.447 0.152 213 HD1 HIS 26 HD1 HIS 26 -10.368 5.803 2.620 214 HD2 HIS 26 HD2 HIS 26 -11.648 3.081 -0.242 215 HE1 HIS 26 HE1 HIS 26 -12.801 6.296 2.263 216 HE2 HIS 26 HE2 HIS 26 -13.587 4.537 0.643 217 H CYS 27 HN CYS 27 -10.050 0.930 3.590 218 HA CYS 27 HA CYS 27 -10.720 -0.923 1.447 219 HB2 CYS 27 HB2 CYS 27 -11.101 -1.131 4.439 220 HB3 CYS 27 HB1 CYS 27 -11.445 -2.406 3.279 221 HN1 NH2 28 HN1 NH2 28 -12.286 0.292 0.390 222 HN2 NH2 28 HN2 NH2 28 -13.861 0.557 1.052 Start of MODEL 2 1 H1 ASN 1 HT1 ASN 1 10.403 0.158 -1.851 2 H2 ASN 1 HT2 ASN 1 10.664 1.657 -2.586 3 H3 ASN 1 HT3 ASN 1 10.303 0.304 -3.534 4 HA ASN 1 HA ASN 1 8.485 1.526 -1.544 5 HB2 ASN 1 HB2 ASN 1 8.450 1.667 -4.568 6 HB3 ASN 1 HB1 ASN 1 7.170 2.260 -3.518 7 HD21 ASN 1 HD21 ASN 1 7.419 4.340 -4.364 8 HD22 ASN 1 HD22 ASN 1 8.753 5.345 -3.917 9 H ASP 2 HN ASP 2 9.455 -1.316 -2.429 10 HA ASP 2 HA ASP 2 7.302 -2.632 -3.675 11 HB2 ASP 2 HB2 ASP 2 9.569 -3.576 -3.527 12 HB3 ASP 2 HB1 ASP 2 9.377 -3.765 -1.790 13 H LYS 3 HN LYS 3 7.672 -1.520 -0.441 14 HA LYS 3 HA LYS 3 5.959 -3.276 0.912 15 HB2 LYS 3 HB2 LYS 3 6.618 -0.381 1.403 16 HB3 LYS 3 HB1 LYS 3 5.564 -1.299 2.463 17 HG2 LYS 3 HG2 LYS 3 8.446 -1.942 1.862 18 HG3 LYS 3 HG1 LYS 3 7.828 -1.205 3.339 19 HD2 LYS 3 HD2 LYS 3 6.534 -3.194 3.826 20 HD3 LYS 3 HD1 LYS 3 7.053 -3.930 2.310 21 HE2 LYS 3 HE2 LYS 3 9.420 -3.705 3.158 22 HE3 LYS 3 HE1 LYS 3 8.723 -3.293 4.725 23 HZ1 LYS 3 HZ1 LYS 3 7.635 -5.414 4.803 24 HZ2 LYS 3 HZ2 LYS 3 9.274 -5.672 4.485 25 HZ3 LYS 3 HZ3 LYS 3 8.140 -5.794 3.232 26 H CYS 4 HN CYS 4 5.302 -0.823 -1.395 27 HA CYS 4 HA CYS 4 2.614 -0.279 -0.755 28 HB2 CYS 4 HB2 CYS 4 3.958 1.044 -2.366 29 HB3 CYS 4 HB1 CYS 4 3.942 -0.317 -3.477 30 H LYS 5 HN LYS 5 4.140 -2.791 -2.717 31 HA LYS 5 HA LYS 5 1.612 -3.928 -3.487 32 HB2 LYS 5 HB2 LYS 5 4.449 -4.878 -3.865 33 HB3 LYS 5 HB1 LYS 5 3.051 -5.787 -4.419 34 HG2 LYS 5 HG2 LYS 5 2.400 -3.759 -5.758 35 HG3 LYS 5 HG1 LYS 5 3.973 -3.085 -5.348 36 HD2 LYS 5 HD2 LYS 5 3.458 -5.651 -6.842 37 HD3 LYS 5 HD1 LYS 5 4.050 -4.139 -7.531 38 HE2 LYS 5 HE2 LYS 5 5.474 -5.781 -5.443 39 HE3 LYS 5 HE1 LYS 5 5.841 -5.789 -7.166 40 HZ1 LYS 5 HZ1 LYS 5 6.555 -3.552 -7.066 41 HZ2 LYS 5 HZ2 LYS 5 7.293 -4.347 -5.766 42 HZ3 LYS 5 HZ3 LYS 5 5.960 -3.343 -5.498 43 H GLU 6 HN GLU 6 4.106 -4.579 -1.089 44 HA GLU 6 HA GLU 6 3.040 -7.070 -0.245 45 HB2 GLU 6 HB2 GLU 6 4.691 -5.078 1.324 46 HB3 GLU 6 HB1 GLU 6 4.365 -6.734 1.816 47 HG2 GLU 6 HG2 GLU 6 5.466 -7.443 -0.356 48 HG3 GLU 6 HG1 GLU 6 6.023 -5.778 -0.498 49 H LEU 7 HN LEU 7 2.490 -3.735 0.819 50 HA LEU 7 HA LEU 7 0.647 -4.412 2.862 51 HB2 LEU 7 HB2 LEU 7 1.061 -1.871 1.304 52 HB3 LEU 7 HB1 LEU 7 -0.102 -2.017 2.603 53 HG LEU 7 HG LEU 7 2.883 -2.390 2.890 54 HD11 LEU 7 HD11 LEU 7 2.808 -0.272 4.122 55 HD12 LEU 7 HD12 LEU 7 1.099 -0.105 3.723 56 HD13 LEU 7 HD13 LEU 7 2.312 -0.069 2.442 57 HD21 LEU 7 HD21 LEU 7 1.724 -3.735 4.514 58 HD22 LEU 7 HD22 LEU 7 0.657 -2.393 4.926 59 HD23 LEU 7 HD23 LEU 7 2.372 -2.309 5.324 60 H LYS 8 HN LYS 8 0.316 -3.646 -0.567 61 HA LYS 8 HA LYS 8 -2.474 -3.673 -0.715 62 HB2 LYS 8 HB2 LYS 8 -0.651 -3.160 -2.523 63 HB3 LYS 8 HB1 LYS 8 -0.777 -4.873 -2.880 64 HG2 LYS 8 HG2 LYS 8 -3.077 -2.936 -2.945 65 HG3 LYS 8 HG1 LYS 8 -2.151 -3.449 -4.352 66 HD2 LYS 8 HD2 LYS 8 -2.849 -5.764 -3.964 67 HD3 LYS 8 HD1 LYS 8 -3.768 -5.248 -2.550 68 HE2 LYS 8 HE2 LYS 8 -4.256 -4.432 -5.410 69 HE3 LYS 8 HE1 LYS 8 -5.247 -5.521 -4.444 70 HZ1 LYS 8 HZ1 LYS 8 -5.741 -3.679 -2.949 71 HZ2 LYS 8 HZ2 LYS 8 -6.218 -3.315 -4.533 72 HZ3 LYS 8 HZ3 LYS 8 -4.803 -2.641 -3.898 73 H LYS 9 HN LYS 9 -0.129 -6.311 -0.949 74 HA LYS 9 HA LYS 9 -1.957 -8.398 -1.404 75 HB2 LYS 9 HB2 LYS 9 0.421 -8.652 -1.833 76 HB3 LYS 9 HB1 LYS 9 0.785 -8.416 -0.131 77 HG2 LYS 9 HG2 LYS 9 0.958 -10.746 -0.698 78 HG3 LYS 9 HG1 LYS 9 -0.404 -10.498 0.393 79 HD2 LYS 9 HD2 LYS 9 -1.960 -10.647 -1.440 80 HD3 LYS 9 HD1 LYS 9 -0.635 -10.732 -2.604 81 HE2 LYS 9 HE2 LYS 9 -1.542 -12.944 -2.218 82 HE3 LYS 9 HE1 LYS 9 0.098 -12.846 -1.586 83 HZ1 LYS 9 HZ1 LYS 9 -1.338 -13.988 -0.045 84 HZ2 LYS 9 HZ2 LYS 9 -2.399 -12.678 0.009 85 HZ3 LYS 9 HZ3 LYS 9 -0.837 -12.524 0.636 86 H ARG 10 HN ARG 10 -0.666 -6.989 1.556 87 HA ARG 10 HA ARG 10 -1.834 -8.838 3.350 88 HB2 ARG 10 HB2 ARG 10 0.007 -7.281 3.942 89 HB3 ARG 10 HB1 ARG 10 -1.125 -5.941 3.834 90 HG2 ARG 10 HG2 ARG 10 -2.430 -6.869 5.658 91 HG3 ARG 10 HG1 ARG 10 -1.320 -8.241 5.764 92 HD2 ARG 10 HD2 ARG 10 -0.628 -5.340 6.222 93 HD3 ARG 10 HD1 ARG 10 -0.825 -6.570 7.469 94 HE ARG 10 HE ARG 10 1.210 -7.047 5.426 95 HH11 ARG 10 HH11 ARG 10 2.052 -6.296 9.281 96 HH12 ARG 10 HH12 ARG 10 0.432 -6.090 8.700 97 HH21 ARG 10 HH21 ARG 10 3.351 -7.320 6.199 98 HH22 ARG 10 HH22 ARG 10 3.706 -6.999 7.866 99 H TYR 11 HN TYR 11 -2.924 -5.761 2.023 100 HA TYR 11 HA TYR 11 -5.470 -5.987 3.435 101 HB2 TYR 11 HB2 TYR 11 -4.203 -3.771 1.831 102 HB3 TYR 11 HB1 TYR 11 -5.849 -3.694 2.443 103 HD1 TYR 11 HD1 TYR 11 -6.215 -3.777 4.952 104 HD2 TYR 11 HD2 TYR 11 -2.375 -3.271 3.199 105 HE1 TYR 11 HE1 TYR 11 -5.352 -2.933 7.091 106 HE2 TYR 11 HE2 TYR 11 -1.509 -2.426 5.329 107 HH TYR 11 HH TYR 11 -3.162 -2.758 8.246 108 H AIB 12 HN AIB 12 -5.132 -7.934 1.521 109 HB11 AIB 12 HB11 AIB 12 -6.905 -9.826 -0.956 110 HB12 AIB 12 HB12 AIB 12 -6.680 -9.803 0.792 111 HB13 AIB 12 HB13 AIB 12 -5.284 -9.689 -0.280 112 HB21 AIB 12 HB21 AIB 12 -6.398 -7.851 -2.291 113 HB22 AIB 12 HB22 AIB 12 -4.819 -7.687 -1.525 114 HB23 AIB 12 HB23 AIB 12 -5.946 -6.331 -1.517 115 H GLY 13 HN GLY 13 -7.894 -6.601 -1.811 116 HA2 GLY 13 HA2 GLY 13 -10.332 -6.684 -1.867 117 HA3 GLY 13 HA1 GLY 13 -10.296 -6.759 -0.112 118 H CYS 14 HN CYS 14 -8.111 -4.772 -0.016 119 HA CYS 14 HA CYS 14 -9.724 -2.375 -0.552 120 HB2 CYS 14 HB2 CYS 14 -7.449 -2.713 1.407 121 HB3 CYS 14 HB1 CYS 14 -8.468 -1.292 1.225 122 H GLU 15 HN GLU 15 -8.545 -0.463 -1.211 123 HA GLU 15 HA GLU 15 -6.276 -1.155 -2.933 124 HB2 GLU 15 HB2 GLU 15 -8.087 1.263 -2.925 125 HB3 GLU 15 HB1 GLU 15 -6.746 1.014 -4.038 126 HG2 GLU 15 HG2 GLU 15 -9.175 -0.752 -3.803 127 HG3 GLU 15 HG1 GLU 15 -8.903 0.462 -5.050 128 H VAL 16 HN VAL 16 -4.302 -0.521 -2.407 129 HA VAL 16 HA VAL 16 -4.039 1.247 -0.081 130 HB VAL 16 HB VAL 16 -2.056 -0.747 -1.192 131 HG11 VAL 16 HG11 VAL 16 -1.954 0.931 1.316 132 HG12 VAL 16 HG12 VAL 16 -0.953 1.152 -0.122 133 HG13 VAL 16 HG13 VAL 16 -0.782 -0.306 0.857 134 HG21 VAL 16 HG21 VAL 16 -3.828 -0.844 1.248 135 HG22 VAL 16 HG22 VAL 16 -2.552 -2.003 0.884 136 HG23 VAL 16 HG23 VAL 16 -3.949 -1.866 -0.183 137 H ARG 17 HN ARG 17 -3.364 3.207 -0.407 138 HA ARG 17 HA ARG 17 -2.074 3.895 -2.937 139 HB2 ARG 17 HB2 ARG 17 -4.079 5.168 -2.337 140 HB3 ARG 17 HB1 ARG 17 -3.334 5.643 -0.820 141 HG2 ARG 17 HG2 ARG 17 -3.251 7.448 -2.440 142 HG3 ARG 17 HG1 ARG 17 -1.630 6.888 -2.030 143 HD2 ARG 17 HD2 ARG 17 -1.570 5.564 -4.083 144 HD3 ARG 17 HD1 ARG 17 -3.188 6.124 -4.496 145 HE ARG 17 HE ARG 17 -2.166 8.419 -4.536 146 HH11 ARG 17 HH11 ARG 17 -0.228 5.561 -5.142 147 HH12 ARG 17 HH12 ARG 17 0.940 6.407 -6.100 148 HH21 ARG 17 HH21 ARG 17 -0.645 9.522 -5.818 149 HH22 ARG 17 HH22 ARG 17 0.699 8.657 -6.496 150 H CYS 18 HN CYS 18 0.062 3.852 -2.894 151 HA CYS 18 HA CYS 18 1.451 4.461 -0.415 152 HB2 CYS 18 HB2 CYS 18 3.469 3.744 -1.886 153 HB3 CYS 18 HB1 CYS 18 2.348 2.523 -1.298 154 H ASP 19 HN ASP 19 2.311 6.351 -0.036 155 HA ASP 19 HA ASP 19 3.072 8.083 -2.285 156 HB2 ASP 19 HB2 ASP 19 0.949 8.882 -1.303 157 HB3 ASP 19 HB1 ASP 19 1.714 8.951 0.279 158 HA DPR 20 HA DPR 20 6.921 8.767 -0.166 159 HB2 DPR 20 HB2 DPR 20 8.494 7.795 -1.467 160 HB3 DPR 20 HB1 DPR 20 7.838 6.175 -1.209 161 HG2 DPR 20 HG2 DPR 20 7.070 8.237 -3.220 162 HG3 DPR 20 HG1 DPR 20 7.176 6.478 -3.403 163 HD2 DPR 20 HD2 DPR 20 4.819 7.742 -3.124 164 HD3 DPR 20 HD1 DPR 20 5.100 6.132 -2.436 165 HA PRO 21 HA PRO 21 7.313 5.803 3.208 166 HB2 PRO 21 HB2 PRO 21 7.640 7.590 5.161 167 HB3 PRO 21 HB1 PRO 21 8.923 7.288 3.983 168 HG2 PRO 21 HG2 PRO 21 6.944 9.530 4.091 169 HG3 PRO 21 HG1 PRO 21 8.678 9.588 3.730 170 HD2 PRO 21 HD2 PRO 21 6.691 9.591 1.819 171 HD3 PRO 21 HD1 PRO 21 8.353 9.041 1.534 172 H ARG 22 HN ARG 22 4.792 7.714 2.290 173 HA ARG 22 HA ARG 22 3.232 7.183 4.730 174 HB2 ARG 22 HB2 ARG 22 2.587 9.053 2.446 175 HB3 ARG 22 HB1 ARG 22 1.662 8.871 3.931 176 HG2 ARG 22 HG2 ARG 22 3.629 9.674 5.202 177 HG3 ARG 22 HG1 ARG 22 4.457 9.966 3.673 178 HD2 ARG 22 HD2 ARG 22 1.890 11.250 4.598 179 HD3 ARG 22 HD1 ARG 22 3.472 12.018 4.531 180 HE ARG 22 HE ARG 22 2.908 11.124 1.959 181 HH11 ARG 22 HH11 ARG 22 1.573 13.399 4.265 182 HH12 ARG 22 HH12 ARG 22 0.896 14.427 3.042 183 HH21 ARG 22 HH21 ARG 22 1.153 13.904 0.825 184 HH22 ARG 22 HH22 ARG 22 2.027 12.468 0.359 185 H TYR 23 HN TYR 23 1.290 6.073 4.596 186 HA TYR 23 HA TYR 23 0.564 4.968 1.985 187 HB2 TYR 23 HB2 TYR 23 0.966 3.343 4.500 188 HB3 TYR 23 HB1 TYR 23 0.270 2.730 3.007 189 HD1 TYR 23 HD1 TYR 23 3.309 3.540 4.776 190 HD2 TYR 23 HD2 TYR 23 1.695 2.568 0.965 191 HE1 TYR 23 HE1 TYR 23 5.559 2.983 3.969 192 HE2 TYR 23 HE2 TYR 23 3.941 2.003 0.149 193 HH TYR 23 HH TYR 23 6.551 1.499 2.154 194 H GLU 24 HN GLU 24 -1.578 4.724 1.659 195 HA GLU 24 HA GLU 24 -3.369 5.185 3.955 196 HB2 GLU 24 HB2 GLU 24 -3.775 6.205 1.132 197 HB3 GLU 24 HB1 GLU 24 -4.879 6.432 2.478 198 HG2 GLU 24 HG2 GLU 24 -3.142 7.743 3.641 199 HG3 GLU 24 HG1 GLU 24 -2.099 7.565 2.231 200 H VAL 25 HN VAL 25 -5.147 3.864 4.071 201 HA VAL 25 HA VAL 25 -5.307 1.787 1.987 202 HB VAL 25 HB VAL 25 -5.992 1.556 4.924 203 HG11 VAL 25 HG11 VAL 25 -6.102 -0.523 2.741 204 HG12 VAL 25 HG12 VAL 25 -7.491 0.210 3.543 205 HG13 VAL 25 HG13 VAL 25 -6.384 -0.816 4.457 206 HG21 VAL 25 HG21 VAL 25 -3.750 0.357 3.301 207 HG22 VAL 25 HG22 VAL 25 -4.110 -0.041 4.980 208 HG23 VAL 25 HG23 VAL 25 -3.597 1.591 4.549 209 H HIS 26 HN HIS 26 -7.046 1.970 0.755 210 HA HIS 26 HA HIS 26 -9.449 3.210 1.914 211 HB2 HIS 26 HB2 HIS 26 -8.338 4.444 0.029 212 HB3 HIS 26 HB1 HIS 26 -8.684 3.065 -1.004 213 HD1 HIS 26 HD1 HIS 26 -10.885 3.073 -2.167 214 HD2 HIS 26 HD2 HIS 26 -10.781 5.757 1.003 215 HE1 HIS 26 HE1 HIS 26 -13.037 4.355 -2.298 216 HE2 HIS 26 HE2 HIS 26 -12.911 6.040 -0.432 217 H CYS 27 HN CYS 27 -10.731 1.598 2.552 218 HA CYS 27 HA CYS 27 -11.095 -0.721 0.813 219 HB2 CYS 27 HB2 CYS 27 -12.107 -0.208 3.615 220 HB3 CYS 27 HB1 CYS 27 -12.266 -1.714 2.722 221 HN1 NH2 28 HN1 NH2 28 -12.394 0.015 -0.796 222 HN2 NH2 28 HN2 NH2 28 -13.992 0.631 -0.550 Start of MODEL 3 1 H1 ASN 1 HT1 ASN 1 10.232 -7.455 2.029 2 H2 ASN 1 HT2 ASN 1 8.948 -7.065 3.055 3 H3 ASN 1 HT3 ASN 1 10.373 -7.719 3.693 4 HA ASN 1 HA ASN 1 10.371 -5.409 4.157 5 HB2 ASN 1 HB2 ASN 1 12.210 -6.057 1.842 6 HB3 ASN 1 HB1 ASN 1 12.409 -4.693 2.935 7 HD21 ASN 1 HD21 ASN 1 13.240 -5.019 4.954 8 HD22 ASN 1 HD22 ASN 1 13.885 -6.538 5.470 9 H ASP 2 HN ASP 2 9.332 -6.196 0.946 10 HA ASP 2 HA ASP 2 9.049 -3.525 -0.006 11 HB2 ASP 2 HB2 ASP 2 7.823 -6.144 -0.864 12 HB3 ASP 2 HB1 ASP 2 7.399 -4.620 -1.626 13 H LYS 3 HN LYS 3 7.991 -2.271 1.445 14 HA LYS 3 HA LYS 3 5.802 -3.067 3.005 15 HB2 LYS 3 HB2 LYS 3 6.797 -0.329 2.227 16 HB3 LYS 3 HB1 LYS 3 5.454 -0.576 3.331 17 HG2 LYS 3 HG2 LYS 3 6.949 -1.836 4.828 18 HG3 LYS 3 HG1 LYS 3 8.292 -1.501 3.737 19 HD2 LYS 3 HD2 LYS 3 8.031 0.883 4.092 20 HD3 LYS 3 HD1 LYS 3 6.614 0.601 5.104 21 HE2 LYS 3 HE2 LYS 3 8.539 1.039 6.498 22 HE3 LYS 3 HE1 LYS 3 8.031 -0.638 6.695 23 HZ1 LYS 3 HZ1 LYS 3 10.256 0.259 4.946 24 HZ2 LYS 3 HZ2 LYS 3 9.812 -1.339 5.264 25 HZ3 LYS 3 HZ3 LYS 3 10.449 -0.379 6.499 26 H CYS 4 HN CYS 4 5.909 -1.156 0.011 27 HA CYS 4 HA CYS 4 3.141 -0.650 -0.090 28 HB2 CYS 4 HB2 CYS 4 4.742 0.676 -1.378 29 HB3 CYS 4 HB1 CYS 4 5.170 -0.738 -2.331 30 H LYS 5 HN LYS 5 5.135 -3.203 -1.505 31 HA LYS 5 HA LYS 5 3.039 -4.336 -3.043 32 HB2 LYS 5 HB2 LYS 5 5.615 -5.597 -2.097 33 HB3 LYS 5 HB1 LYS 5 4.566 -6.234 -3.357 34 HG2 LYS 5 HG2 LYS 5 5.984 -3.580 -3.472 35 HG3 LYS 5 HG1 LYS 5 6.544 -5.064 -4.239 36 HD2 LYS 5 HD2 LYS 5 4.492 -5.134 -5.583 37 HD3 LYS 5 HD1 LYS 5 3.948 -3.639 -4.821 38 HE2 LYS 5 HE2 LYS 5 4.915 -3.183 -7.002 39 HE3 LYS 5 HE1 LYS 5 5.899 -2.472 -5.724 40 HZ1 LYS 5 HZ1 LYS 5 6.468 -5.010 -7.155 41 HZ2 LYS 5 HZ2 LYS 5 7.405 -4.368 -5.903 42 HZ3 LYS 5 HZ3 LYS 5 7.279 -3.542 -7.373 43 H GLU 6 HN GLU 6 4.414 -5.104 0.123 44 HA GLU 6 HA GLU 6 2.846 -7.416 0.557 45 HB2 GLU 6 HB2 GLU 6 4.342 -5.581 2.419 46 HB3 GLU 6 HB1 GLU 6 3.436 -6.968 3.006 47 HG2 GLU 6 HG2 GLU 6 4.815 -8.476 1.749 48 HG3 GLU 6 HG1 GLU 6 5.645 -7.133 0.968 49 H LEU 7 HN LEU 7 2.375 -4.001 1.392 50 HA LEU 7 HA LEU 7 -0.035 -4.386 2.822 51 HB2 LEU 7 HB2 LEU 7 0.990 -1.998 1.292 52 HB3 LEU 7 HB1 LEU 7 -0.443 -1.974 2.299 53 HG LEU 7 HG LEU 7 2.340 -2.582 3.310 54 HD11 LEU 7 HD11 LEU 7 2.175 -0.270 2.541 55 HD12 LEU 7 HD12 LEU 7 2.266 -0.347 4.300 56 HD13 LEU 7 HD13 LEU 7 0.719 -0.044 3.512 57 HD21 LEU 7 HD21 LEU 7 1.345 -2.270 5.519 58 HD22 LEU 7 HD22 LEU 7 0.565 -3.592 4.653 59 HD23 LEU 7 HD23 LEU 7 -0.236 -2.025 4.778 60 H LYS 8 HN LYS 8 0.664 -3.727 -0.573 61 HA LYS 8 HA LYS 8 -1.978 -3.467 -1.471 62 HB2 LYS 8 HB2 LYS 8 0.603 -4.197 -2.804 63 HB3 LYS 8 HB1 LYS 8 -0.901 -4.293 -3.702 64 HG2 LYS 8 HG2 LYS 8 -0.094 -1.793 -2.258 65 HG3 LYS 8 HG1 LYS 8 0.475 -2.151 -3.889 66 HD2 LYS 8 HD2 LYS 8 -2.434 -2.092 -3.111 67 HD3 LYS 8 HD1 LYS 8 -1.572 -0.703 -3.769 68 HE2 LYS 8 HE2 LYS 8 -1.085 -1.936 -5.797 69 HE3 LYS 8 HE1 LYS 8 -1.852 -3.376 -5.135 70 HZ1 LYS 8 HZ1 LYS 8 -3.953 -2.217 -5.097 71 HZ2 LYS 8 HZ2 LYS 8 -3.306 -2.182 -6.658 72 HZ3 LYS 8 HZ3 LYS 8 -3.228 -0.807 -5.679 73 H LYS 9 HN LYS 9 0.071 -6.325 -1.116 74 HA LYS 9 HA LYS 9 -1.871 -8.086 -2.284 75 HB2 LYS 9 HB2 LYS 9 0.591 -8.665 -0.624 76 HB3 LYS 9 HB1 LYS 9 -0.368 -9.885 -1.455 77 HG2 LYS 9 HG2 LYS 9 0.190 -8.951 -3.592 78 HG3 LYS 9 HG1 LYS 9 1.017 -7.593 -2.828 79 HD2 LYS 9 HD2 LYS 9 2.612 -9.199 -1.818 80 HD3 LYS 9 HD1 LYS 9 1.821 -10.496 -2.718 81 HE2 LYS 9 HE2 LYS 9 2.362 -9.362 -4.819 82 HE3 LYS 9 HE1 LYS 9 3.156 -8.074 -3.917 83 HZ1 LYS 9 HZ1 LYS 9 3.984 -10.920 -4.014 84 HZ2 LYS 9 HZ2 LYS 9 4.714 -9.738 -3.054 85 HZ3 LYS 9 HZ3 LYS 9 4.777 -9.615 -4.737 86 H ARG 10 HN ARG 10 -1.018 -7.086 0.961 87 HA ARG 10 HA ARG 10 -2.493 -9.037 2.371 88 HB2 ARG 10 HB2 ARG 10 -0.712 -7.493 3.283 89 HB3 ARG 10 HB1 ARG 10 -1.919 -6.220 3.278 90 HG2 ARG 10 HG2 ARG 10 -3.293 -7.510 4.830 91 HG3 ARG 10 HG1 ARG 10 -2.069 -8.787 4.842 92 HD2 ARG 10 HD2 ARG 10 -1.859 -5.976 5.891 93 HD3 ARG 10 HD1 ARG 10 -1.647 -7.492 6.767 94 HE ARG 10 HE ARG 10 0.318 -7.608 4.926 95 HH11 ARG 10 HH11 ARG 10 0.976 -4.487 7.367 96 HH12 ARG 10 HH12 ARG 10 -0.605 -5.194 7.286 97 HH21 ARG 10 HH21 ARG 10 2.398 -6.701 5.049 98 HH22 ARG 10 HH22 ARG 10 2.694 -5.358 6.107 99 H TYR 11 HN TYR 11 -3.292 -5.762 1.289 100 HA TYR 11 HA TYR 11 -6.056 -6.160 2.195 101 HB2 TYR 11 HB2 TYR 11 -4.651 -3.639 1.308 102 HB3 TYR 11 HB1 TYR 11 -6.290 -3.739 1.930 103 HD1 TYR 11 HD1 TYR 11 -6.666 -4.347 4.319 104 HD2 TYR 11 HD2 TYR 11 -2.782 -3.576 2.771 105 HE1 TYR 11 HE1 TYR 11 -5.822 -4.060 6.602 106 HE2 TYR 11 HE2 TYR 11 -1.923 -3.285 5.058 107 HH TYR 11 HH TYR 11 -3.752 -4.163 7.832 108 H AIB 12 HN AIB 12 -5.745 -7.692 0.122 109 HB11 AIB 12 HB11 AIB 12 -6.873 -8.845 -3.070 110 HB12 AIB 12 HB12 AIB 12 -7.181 -9.182 -1.367 111 HB13 AIB 12 HB13 AIB 12 -5.523 -9.036 -1.951 112 HB21 AIB 12 HB21 AIB 12 -4.680 -6.847 -2.724 113 HB22 AIB 12 HB22 AIB 12 -5.732 -5.432 -2.674 114 HB23 AIB 12 HB23 AIB 12 -6.070 -6.744 -3.804 115 H GLY 13 HN GLY 13 -8.314 -7.060 0.056 116 HA2 GLY 13 HA2 GLY 13 -10.536 -6.472 -1.717 117 HA3 GLY 13 HA1 GLY 13 -10.636 -6.804 0.003 118 H CYS 14 HN CYS 14 -8.241 -4.547 -0.642 119 HA CYS 14 HA CYS 14 -10.074 -2.271 -0.312 120 HB2 CYS 14 HB2 CYS 14 -7.440 -2.389 1.125 121 HB3 CYS 14 HB1 CYS 14 -8.830 -1.373 1.467 122 H GLU 15 HN GLU 15 -8.675 -0.161 -0.601 123 HA GLU 15 HA GLU 15 -6.856 -0.613 -2.877 124 HB2 GLU 15 HB2 GLU 15 -8.458 1.851 -2.171 125 HB3 GLU 15 HB1 GLU 15 -7.364 1.710 -3.536 126 HG2 GLU 15 HG2 GLU 15 -8.786 0.002 -4.524 127 HG3 GLU 15 HG1 GLU 15 -9.867 0.088 -3.132 128 H VAL 16 HN VAL 16 -4.816 -0.561 -2.184 129 HA VAL 16 HA VAL 16 -4.092 1.206 0.023 130 HB VAL 16 HB VAL 16 -2.394 -0.827 -1.428 131 HG11 VAL 16 HG11 VAL 16 -1.079 0.975 -0.417 132 HG12 VAL 16 HG12 VAL 16 -0.834 -0.551 0.433 133 HG13 VAL 16 HG13 VAL 16 -1.875 0.689 1.132 134 HG21 VAL 16 HG21 VAL 16 -3.794 -0.991 1.238 135 HG22 VAL 16 HG22 VAL 16 -2.673 -2.192 0.598 136 HG23 VAL 16 HG23 VAL 16 -4.211 -1.896 -0.216 137 H ARG 17 HN ARG 17 -3.348 3.154 -0.348 138 HA ARG 17 HA ARG 17 -2.192 3.774 -2.969 139 HB2 ARG 17 HB2 ARG 17 -4.048 5.191 -2.199 140 HB3 ARG 17 HB1 ARG 17 -3.123 5.618 -0.771 141 HG2 ARG 17 HG2 ARG 17 -1.419 6.658 -2.209 142 HG3 ARG 17 HG1 ARG 17 -2.414 6.282 -3.618 143 HD2 ARG 17 HD2 ARG 17 -3.212 8.030 -1.291 144 HD3 ARG 17 HD1 ARG 17 -2.752 8.592 -2.899 145 HE ARG 17 HE ARG 17 -4.762 7.154 -3.625 146 HH11 ARG 17 HH11 ARG 17 -4.556 8.948 -0.617 147 HH12 ARG 17 HH12 ARG 17 -6.276 9.184 -0.506 148 HH21 ARG 17 HH21 ARG 17 -7.013 7.461 -3.471 149 HH22 ARG 17 HH22 ARG 17 -7.672 8.337 -2.127 150 H CYS 18 HN CYS 18 -0.072 3.765 -3.130 151 HA CYS 18 HA CYS 18 1.563 4.128 -0.736 152 HB2 CYS 18 HB2 CYS 18 2.336 3.154 -3.496 153 HB3 CYS 18 HB1 CYS 18 3.384 3.185 -2.083 154 H ASP 19 HN ASP 19 2.127 6.181 -0.365 155 HA ASP 19 HA ASP 19 2.908 7.848 -2.661 156 HB2 ASP 19 HB2 ASP 19 0.704 8.572 -1.871 157 HB3 ASP 19 HB1 ASP 19 1.331 8.734 -0.234 158 HA DPR 20 HA DPR 20 6.640 9.002 -0.599 159 HB2 DPR 20 HB2 DPR 20 8.322 7.871 -1.625 160 HB3 DPR 20 HB1 DPR 20 7.645 6.292 -1.215 161 HG2 DPR 20 HG2 DPR 20 6.965 8.121 -3.476 162 HG3 DPR 20 HG1 DPR 20 7.124 6.355 -3.472 163 HD2 DPR 20 HD2 DPR 20 4.722 7.586 -3.424 164 HD3 DPR 20 HD1 DPR 20 5.006 6.040 -2.600 165 HA PRO 21 HA PRO 21 7.228 6.756 3.235 166 HB2 PRO 21 HB2 PRO 21 7.027 8.852 4.883 167 HB3 PRO 21 HB1 PRO 21 8.435 8.639 3.836 168 HG2 PRO 21 HG2 PRO 21 6.045 10.405 3.452 169 HG3 PRO 21 HG1 PRO 21 7.759 10.776 3.195 170 HD2 PRO 21 HD2 PRO 21 6.034 10.089 1.181 171 HD3 PRO 21 HD1 PRO 21 7.783 9.795 1.123 172 H ARG 22 HN ARG 22 4.418 8.057 2.004 173 HA ARG 22 HA ARG 22 2.891 7.467 4.451 174 HB2 ARG 22 HB2 ARG 22 2.137 9.186 2.087 175 HB3 ARG 22 HB1 ARG 22 1.092 8.846 3.460 176 HG2 ARG 22 HG2 ARG 22 2.710 9.952 4.942 177 HG3 ARG 22 HG1 ARG 22 3.715 10.328 3.541 178 HD2 ARG 22 HD2 ARG 22 0.872 11.251 3.955 179 HD3 ARG 22 HD1 ARG 22 2.310 12.227 4.235 180 HE ARG 22 HE ARG 22 1.990 11.130 1.554 181 HH11 ARG 22 HH11 ARG 22 1.647 13.882 3.688 182 HH12 ARG 22 HH12 ARG 22 1.515 15.027 2.393 183 HH21 ARG 22 HH21 ARG 22 1.623 14.311 0.209 184 HH22 ARG 22 HH22 ARG 22 1.833 12.616 -0.144 185 H TYR 23 HN TYR 23 1.290 6.011 4.409 186 HA TYR 23 HA TYR 23 0.562 4.815 1.829 187 HB2 TYR 23 HB2 TYR 23 0.893 3.305 4.428 188 HB3 TYR 23 HB1 TYR 23 0.402 2.625 2.883 189 HD1 TYR 23 HD1 TYR 23 3.209 3.952 4.826 190 HD2 TYR 23 HD2 TYR 23 2.011 2.213 1.135 191 HE1 TYR 23 HE1 TYR 23 5.561 3.505 4.282 192 HE2 TYR 23 HE2 TYR 23 4.361 1.757 0.585 193 HH TYR 23 HH TYR 23 6.570 2.475 1.151 194 H GLU 24 HN GLU 24 -1.569 4.706 1.478 195 HA GLU 24 HA GLU 24 -3.331 5.268 3.775 196 HB2 GLU 24 HB2 GLU 24 -3.703 6.216 0.930 197 HB3 GLU 24 HB1 GLU 24 -4.804 6.515 2.261 198 HG2 GLU 24 HG2 GLU 24 -3.076 7.820 3.396 199 HG3 GLU 24 HG1 GLU 24 -1.979 7.527 2.047 200 H VAL 25 HN VAL 25 -4.044 3.255 4.188 201 HA VAL 25 HA VAL 25 -4.962 1.517 2.073 202 HB VAL 25 HB VAL 25 -5.221 1.241 5.078 203 HG11 VAL 25 HG11 VAL 25 -5.712 -0.777 2.890 204 HG12 VAL 25 HG12 VAL 25 -6.940 -0.028 3.908 205 HG13 VAL 25 HG13 VAL 25 -5.743 -1.112 4.621 206 HG21 VAL 25 HG21 VAL 25 -2.897 1.213 4.362 207 HG22 VAL 25 HG22 VAL 25 -3.268 -0.004 3.145 208 HG23 VAL 25 HG23 VAL 25 -3.400 -0.404 4.855 209 H HIS 26 HN HIS 26 -6.757 2.149 1.062 210 HA HIS 26 HA HIS 26 -8.908 3.414 2.578 211 HB2 HIS 26 HB2 HIS 26 -7.989 4.126 0.205 212 HB3 HIS 26 HB1 HIS 26 -9.071 2.864 -0.354 213 HD1 HIS 26 HD1 HIS 26 -9.015 6.373 0.351 214 HD2 HIS 26 HD2 HIS 26 -11.852 3.351 0.666 215 HE1 HIS 26 HE1 HIS 26 -11.237 7.538 0.443 216 HE2 HIS 26 HE2 HIS 26 -12.940 5.687 0.467 217 H CYS 27 HN CYS 27 -10.094 1.947 3.631 218 HA CYS 27 HA CYS 27 -11.300 -0.203 2.086 219 HB2 CYS 27 HB2 CYS 27 -9.111 -0.898 3.358 220 HB3 CYS 27 HB1 CYS 27 -10.162 -0.885 4.768 221 HN1 NH2 28 HN1 NH2 28 -11.004 0.844 5.465 222 HN2 NH2 28 HN2 NH2 28 -12.702 1.000 5.751 Start of MODEL 4 1 H1 ASN 1 HT1 ASN 1 8.828 -6.320 1.961 2 H2 ASN 1 HT2 ASN 1 10.056 -7.472 1.750 3 H3 ASN 1 HT3 ASN 1 9.126 -6.979 0.429 4 HA ASN 1 HA ASN 1 10.993 -5.285 1.970 5 HB2 ASN 1 HB2 ASN 1 11.190 -6.400 -0.838 6 HB3 ASN 1 HB1 ASN 1 12.307 -5.236 -0.135 7 HD21 ASN 1 HD21 ASN 1 14.059 -6.606 -0.370 8 HD22 ASN 1 HD22 ASN 1 14.277 -8.001 0.630 9 H ASP 2 HN ASP 2 9.023 -5.517 -0.978 10 HA ASP 2 HA ASP 2 8.837 -2.658 -1.245 11 HB2 ASP 2 HB2 ASP 2 7.347 -4.896 -2.637 12 HB3 ASP 2 HB1 ASP 2 7.204 -3.194 -3.049 13 H LYS 3 HN LYS 3 7.607 -1.504 0.059 14 HA LYS 3 HA LYS 3 5.827 -2.698 1.899 15 HB2 LYS 3 HB2 LYS 3 6.159 0.222 1.186 16 HB3 LYS 3 HB1 LYS 3 5.263 -0.383 2.568 17 HG2 LYS 3 HG2 LYS 3 7.279 0.252 3.490 18 HG3 LYS 3 HG1 LYS 3 7.494 -1.480 3.252 19 HD2 LYS 3 HD2 LYS 3 8.699 -1.032 1.160 20 HD3 LYS 3 HD1 LYS 3 8.495 0.700 1.420 21 HE2 LYS 3 HE2 LYS 3 10.697 0.080 2.124 22 HE3 LYS 3 HE1 LYS 3 9.743 0.460 3.555 23 HZ1 LYS 3 HZ1 LYS 3 9.452 -1.866 3.986 24 HZ2 LYS 3 HZ2 LYS 3 11.103 -1.563 3.791 25 HZ3 LYS 3 HZ3 LYS 3 10.224 -2.290 2.542 26 H CYS 4 HN CYS 4 5.374 -0.855 -1.066 27 HA CYS 4 HA CYS 4 2.584 -0.644 -0.955 28 HB2 CYS 4 HB2 CYS 4 4.468 -0.751 -3.309 29 HB3 CYS 4 HB1 CYS 4 2.750 -0.392 -3.456 30 H LYS 5 HN LYS 5 4.676 -3.173 -2.267 31 HA LYS 5 HA LYS 5 2.607 -4.729 -3.411 32 HB2 LYS 5 HB2 LYS 5 5.372 -5.518 -2.483 33 HB3 LYS 5 HB1 LYS 5 4.302 -6.562 -3.404 34 HG2 LYS 5 HG2 LYS 5 5.272 -3.887 -4.380 35 HG3 LYS 5 HG1 LYS 5 6.071 -5.417 -4.734 36 HD2 LYS 5 HD2 LYS 5 3.937 -6.221 -5.738 37 HD3 LYS 5 HD1 LYS 5 3.277 -4.601 -5.512 38 HE2 LYS 5 HE2 LYS 5 4.088 -4.886 -7.787 39 HE3 LYS 5 HE1 LYS 5 5.048 -3.684 -6.930 40 HZ1 LYS 5 HZ1 LYS 5 5.859 -6.519 -7.235 41 HZ2 LYS 5 HZ2 LYS 5 6.801 -5.246 -6.645 42 HZ3 LYS 5 HZ3 LYS 5 6.360 -5.286 -8.275 43 H GLU 6 HN GLU 6 4.272 -4.837 -0.298 44 HA GLU 6 HA GLU 6 2.988 -7.171 0.650 45 HB2 GLU 6 HB2 GLU 6 4.341 -4.905 2.120 46 HB3 GLU 6 HB1 GLU 6 3.760 -6.366 2.905 47 HG2 GLU 6 HG2 GLU 6 5.280 -7.706 1.527 48 HG3 GLU 6 HG1 GLU 6 5.873 -6.234 0.760 49 H LEU 7 HN LEU 7 2.249 -3.734 0.958 50 HA LEU 7 HA LEU 7 0.077 -4.077 2.744 51 HB2 LEU 7 HB2 LEU 7 0.827 -1.845 0.871 52 HB3 LEU 7 HB1 LEU 7 -0.542 -1.759 1.962 53 HG LEU 7 HG LEU 7 2.272 -2.240 2.926 54 HD11 LEU 7 HD11 LEU 7 2.328 0.145 3.509 55 HD12 LEU 7 HD12 LEU 7 0.790 0.376 2.682 56 HD13 LEU 7 HD13 LEU 7 2.221 -0.098 1.766 57 HD21 LEU 7 HD21 LEU 7 1.359 -1.479 5.063 58 HD22 LEU 7 HD22 LEU 7 0.491 -2.891 4.465 59 HD23 LEU 7 HD23 LEU 7 -0.228 -1.286 4.319 60 H LYS 8 HN LYS 8 0.309 -3.819 -0.782 61 HA LYS 8 HA LYS 8 -2.492 -3.885 -1.247 62 HB2 LYS 8 HB2 LYS 8 -0.131 -4.507 -3.011 63 HB3 LYS 8 HB1 LYS 8 -1.788 -4.610 -3.587 64 HG2 LYS 8 HG2 LYS 8 -2.120 -2.251 -3.130 65 HG3 LYS 8 HG1 LYS 8 -0.488 -2.133 -2.472 66 HD2 LYS 8 HD2 LYS 8 0.443 -2.734 -4.643 67 HD3 LYS 8 HD1 LYS 8 -1.185 -2.890 -5.307 68 HE2 LYS 8 HE2 LYS 8 -1.591 -0.518 -4.818 69 HE3 LYS 8 HE1 LYS 8 0.051 -0.375 -4.194 70 HZ1 LYS 8 HZ1 LYS 8 -0.613 -1.173 -6.976 71 HZ2 LYS 8 HZ2 LYS 8 0.925 -0.846 -6.356 72 HZ3 LYS 8 HZ3 LYS 8 -0.207 0.399 -6.508 73 H LYS 9 HN LYS 9 -0.050 -6.350 -0.863 74 HA LYS 9 HA LYS 9 -1.694 -8.538 -1.655 75 HB2 LYS 9 HB2 LYS 9 0.734 -8.692 -1.722 76 HB3 LYS 9 HB1 LYS 9 0.826 -8.417 0.010 77 HG2 LYS 9 HG2 LYS 9 -0.353 -10.544 0.387 78 HG3 LYS 9 HG1 LYS 9 -0.362 -10.821 -1.357 79 HD2 LYS 9 HD2 LYS 9 2.057 -10.816 -1.404 80 HD3 LYS 9 HD1 LYS 9 2.114 -10.433 0.316 81 HE2 LYS 9 HE2 LYS 9 0.991 -12.568 0.805 82 HE3 LYS 9 HE1 LYS 9 1.004 -12.950 -0.916 83 HZ1 LYS 9 HZ1 LYS 9 3.404 -12.916 -0.889 84 HZ2 LYS 9 HZ2 LYS 9 2.835 -14.005 0.273 85 HZ3 LYS 9 HZ3 LYS 9 3.418 -12.491 0.748 86 H ARG 10 HN ARG 10 -0.761 -7.155 1.472 87 HA ARG 10 HA ARG 10 -2.109 -9.051 3.064 88 HB2 ARG 10 HB2 ARG 10 -0.338 -7.613 3.947 89 HB3 ARG 10 HB1 ARG 10 -1.351 -6.197 3.703 90 HG2 ARG 10 HG2 ARG 10 -2.965 -7.090 5.319 91 HG3 ARG 10 HG1 ARG 10 -1.902 -8.478 5.588 92 HD2 ARG 10 HD2 ARG 10 -0.134 -6.964 6.357 93 HD3 ARG 10 HD1 ARG 10 -1.200 -5.585 6.089 94 HE ARG 10 HE ARG 10 -2.309 -7.560 7.866 95 HH11 ARG 10 HH11 ARG 10 -0.448 -4.305 9.309 96 HH12 ARG 10 HH12 ARG 10 -0.240 -4.746 7.647 97 HH21 ARG 10 HH21 ARG 10 -2.582 -6.987 10.061 98 HH22 ARG 10 HH22 ARG 10 -1.774 -5.582 10.685 99 H TYR 11 HN TYR 11 -3.048 -5.785 2.009 100 HA TYR 11 HA TYR 11 -5.659 -6.145 3.233 101 HB2 TYR 11 HB2 TYR 11 -4.407 -3.778 1.841 102 HB3 TYR 11 HB1 TYR 11 -6.014 -3.781 2.557 103 HD1 TYR 11 HD1 TYR 11 -6.189 -4.316 5.050 104 HD2 TYR 11 HD2 TYR 11 -2.537 -3.259 3.153 105 HE1 TYR 11 HE1 TYR 11 -5.243 -3.700 7.230 106 HE2 TYR 11 HE2 TYR 11 -1.580 -2.644 5.329 107 HH TYR 11 HH TYR 11 -2.358 -1.940 7.553 108 H AIB 12 HN AIB 12 -5.525 -7.970 1.373 109 HB11 AIB 12 HB11 AIB 12 -5.714 -9.642 -0.514 110 HB12 AIB 12 HB12 AIB 12 -7.329 -9.645 -1.224 111 HB13 AIB 12 HB13 AIB 12 -7.136 -9.698 0.527 112 HB21 AIB 12 HB21 AIB 12 -6.181 -6.205 -1.659 113 HB22 AIB 12 HB22 AIB 12 -6.695 -7.680 -2.478 114 HB23 AIB 12 HB23 AIB 12 -5.117 -7.608 -1.697 115 H GLY 13 HN GLY 13 -8.151 -6.347 -1.947 116 HA2 GLY 13 HA2 GLY 13 -10.545 -6.146 -1.990 117 HA3 GLY 13 HA1 GLY 13 -10.561 -6.503 -0.271 118 H CYS 14 HN CYS 14 -8.088 -4.576 -0.245 119 HA CYS 14 HA CYS 14 -9.690 -2.109 -0.141 120 HB2 CYS 14 HB2 CYS 14 -7.100 -2.695 1.290 121 HB3 CYS 14 HB1 CYS 14 -8.130 -1.288 1.512 122 H GLU 15 HN GLU 15 -8.793 -0.203 -0.967 123 HA GLU 15 HA GLU 15 -6.801 -0.625 -3.059 124 HB2 GLU 15 HB2 GLU 15 -8.503 1.785 -2.401 125 HB3 GLU 15 HB1 GLU 15 -7.397 1.677 -3.758 126 HG2 GLU 15 HG2 GLU 15 -8.736 -0.212 -4.641 127 HG3 GLU 15 HG1 GLU 15 -9.879 0.038 -3.321 128 H VAL 16 HN VAL 16 -4.743 -0.379 -2.525 129 HA VAL 16 HA VAL 16 -4.075 1.367 -0.270 130 HB VAL 16 HB VAL 16 -2.349 -0.686 -1.665 131 HG11 VAL 16 HG11 VAL 16 -1.862 0.812 0.910 132 HG12 VAL 16 HG12 VAL 16 -1.092 1.175 -0.633 133 HG13 VAL 16 HG13 VAL 16 -0.790 -0.370 0.159 134 HG21 VAL 16 HG21 VAL 16 -2.668 -2.023 0.381 135 HG22 VAL 16 HG22 VAL 16 -4.183 -1.747 -0.476 136 HG23 VAL 16 HG23 VAL 16 -3.807 -0.817 0.974 137 H ARG 17 HN ARG 17 -3.242 3.285 -0.614 138 HA ARG 17 HA ARG 17 -2.050 3.873 -3.238 139 HB2 ARG 17 HB2 ARG 17 -3.140 5.781 -1.170 140 HB3 ARG 17 HB1 ARG 17 -2.480 6.233 -2.730 141 HG2 ARG 17 HG2 ARG 17 -4.287 4.972 -3.828 142 HG3 ARG 17 HG1 ARG 17 -4.967 4.615 -2.240 143 HD2 ARG 17 HD2 ARG 17 -6.123 6.499 -3.222 144 HD3 ARG 17 HD1 ARG 17 -5.196 7.029 -1.820 145 HE ARG 17 HE ARG 17 -3.623 7.366 -4.123 146 HH11 ARG 17 HH11 ARG 17 -6.490 8.685 -2.629 147 HH12 ARG 17 HH12 ARG 17 -6.298 10.253 -3.341 148 HH21 ARG 17 HH21 ARG 17 -3.361 9.416 -5.073 149 HH22 ARG 17 HH22 ARG 17 -4.507 10.673 -4.735 150 H CYS 18 HN CYS 18 -0.047 4.827 -3.367 151 HA CYS 18 HA CYS 18 1.515 4.727 -0.883 152 HB2 CYS 18 HB2 CYS 18 2.434 4.304 -3.730 153 HB3 CYS 18 HB1 CYS 18 3.466 4.244 -2.307 154 H ASP 19 HN ASP 19 2.603 6.484 -0.245 155 HA ASP 19 HA ASP 19 3.224 8.599 -2.165 156 HB2 ASP 19 HB2 ASP 19 1.074 9.236 -1.083 157 HB3 ASP 19 HB1 ASP 19 1.857 9.126 0.485 158 HA DPR 20 HA DPR 20 7.112 8.754 0.001 159 HB2 DPR 20 HB2 DPR 20 8.608 7.544 -1.210 160 HB3 DPR 20 HB1 DPR 20 7.688 6.046 -1.033 161 HG2 DPR 20 HG2 DPR 20 7.314 8.283 -2.979 162 HG3 DPR 20 HG1 DPR 20 7.220 6.534 -3.254 163 HD2 DPR 20 HD2 DPR 20 5.013 8.051 -3.001 164 HD3 DPR 20 HD1 DPR 20 5.076 6.390 -2.381 165 HA PRO 21 HA PRO 21 7.207 5.887 3.462 166 HB2 PRO 21 HB2 PRO 21 7.262 7.742 5.400 167 HB3 PRO 21 HB1 PRO 21 8.674 7.422 4.386 168 HG2 PRO 21 HG2 PRO 21 6.657 9.624 4.179 169 HG3 PRO 21 HG1 PRO 21 8.421 9.709 4.030 170 HD2 PRO 21 HD2 PRO 21 6.725 9.636 1.888 171 HD3 PRO 21 HD1 PRO 21 8.389 9.024 1.843 172 H ARG 22 HN ARG 22 4.730 7.793 2.352 173 HA ARG 22 HA ARG 22 2.963 7.212 4.633 174 HB2 ARG 22 HB2 ARG 22 2.572 9.123 2.328 175 HB3 ARG 22 HB1 ARG 22 1.476 8.913 3.684 176 HG2 ARG 22 HG2 ARG 22 3.127 9.792 5.208 177 HG3 ARG 22 HG1 ARG 22 4.313 9.891 3.905 178 HD2 ARG 22 HD2 ARG 22 3.278 12.070 4.398 179 HD3 ARG 22 HD1 ARG 22 2.968 11.530 2.748 180 HE ARG 22 HE ARG 22 1.000 11.387 4.948 181 HH11 ARG 22 HH11 ARG 22 1.779 11.722 1.542 182 HH12 ARG 22 HH12 ARG 22 0.129 11.999 1.076 183 HH21 ARG 22 HH21 ARG 22 -1.537 12.003 2.639 184 HH22 ARG 22 HH22 ARG 22 -1.168 11.729 4.312 185 H TYR 23 HN TYR 23 1.041 6.106 4.313 186 HA TYR 23 HA TYR 23 0.459 5.128 1.628 187 HB2 TYR 23 HB2 TYR 23 0.813 3.284 4.000 188 HB3 TYR 23 HB1 TYR 23 0.229 2.811 2.410 189 HD1 TYR 23 HD1 TYR 23 3.146 3.650 4.406 190 HD2 TYR 23 HD2 TYR 23 1.753 2.779 0.486 191 HE1 TYR 23 HE1 TYR 23 5.457 3.251 3.681 192 HE2 TYR 23 HE2 TYR 23 4.060 2.372 -0.249 193 HH TYR 23 HH TYR 23 6.336 2.987 0.401 194 H GLU 24 HN GLU 24 -1.656 4.839 1.232 195 HA GLU 24 HA GLU 24 -3.494 5.367 3.480 196 HB2 GLU 24 HB2 GLU 24 -3.860 6.076 0.563 197 HB3 GLU 24 HB1 GLU 24 -5.011 6.400 1.846 198 HG2 GLU 24 HG2 GLU 24 -2.234 7.548 1.723 199 HG3 GLU 24 HG1 GLU 24 -3.687 8.371 1.158 200 H VAL 25 HN VAL 25 -4.497 3.538 4.026 201 HA VAL 25 HA VAL 25 -5.047 1.541 1.957 202 HB VAL 25 HB VAL 25 -5.242 1.312 4.968 203 HG11 VAL 25 HG11 VAL 25 -5.535 -1.091 4.573 204 HG12 VAL 25 HG12 VAL 25 -5.554 -0.796 2.833 205 HG13 VAL 25 HG13 VAL 25 -6.842 -0.152 3.849 206 HG21 VAL 25 HG21 VAL 25 -3.267 -0.147 4.741 207 HG22 VAL 25 HG22 VAL 25 -2.941 1.505 4.212 208 HG23 VAL 25 HG23 VAL 25 -3.206 0.233 3.020 209 H HIS 26 HN HIS 26 -6.895 1.926 0.946 210 HA HIS 26 HA HIS 26 -9.139 3.053 2.459 211 HB2 HIS 26 HB2 HIS 26 -8.308 4.227 0.403 212 HB3 HIS 26 HB1 HIS 26 -8.806 2.830 -0.534 213 HD1 HIS 26 HD1 HIS 26 -10.231 5.669 1.480 214 HD2 HIS 26 HD2 HIS 26 -11.490 2.709 -1.141 215 HE1 HIS 26 HE1 HIS 26 -12.616 6.228 0.927 216 HE2 HIS 26 HE2 HIS 26 -13.332 4.474 -0.731 217 H CYS 27 HN CYS 27 -10.069 1.293 3.408 218 HA CYS 27 HA CYS 27 -10.823 -0.971 1.736 219 HB2 CYS 27 HB2 CYS 27 -11.100 -0.536 4.715 220 HB3 CYS 27 HB1 CYS 27 -11.541 -2.010 3.864 221 HN1 NH2 28 HN1 NH2 28 -12.529 0.824 4.279 222 HN2 NH2 28 HN2 NH2 28 -14.033 0.922 3.433 Start of MODEL 5 1 H1 ASN 1 HT1 ASN 1 12.218 -3.893 -0.242 2 H2 ASN 1 HT2 ASN 1 13.456 -2.908 0.342 3 H3 ASN 1 HT3 ASN 1 12.654 -2.498 -1.088 4 HA ASN 1 HA ASN 1 11.410 -2.619 1.594 5 HB2 ASN 1 HB2 ASN 1 13.085 -0.751 1.215 6 HB3 ASN 1 HB1 ASN 1 12.025 -0.162 -0.062 7 HD21 ASN 1 HD21 ASN 1 11.683 1.776 1.030 8 HD22 ASN 1 HD22 ASN 1 10.674 1.871 2.432 9 H ASP 2 HN ASP 2 10.157 -4.103 -0.098 10 HA ASP 2 HA ASP 2 8.438 -2.602 -1.877 11 HB2 ASP 2 HB2 ASP 2 7.559 -4.807 -2.545 12 HB3 ASP 2 HB1 ASP 2 9.311 -4.745 -2.653 13 H LYS 3 HN LYS 3 7.889 -1.601 0.449 14 HA LYS 3 HA LYS 3 6.021 -2.988 2.054 15 HB2 LYS 3 HB2 LYS 3 6.809 -0.104 1.818 16 HB3 LYS 3 HB1 LYS 3 5.488 -0.598 2.868 17 HG2 LYS 3 HG2 LYS 3 6.991 -2.048 4.109 18 HG3 LYS 3 HG1 LYS 3 8.320 -1.607 3.037 19 HD2 LYS 3 HD2 LYS 3 8.280 0.652 3.791 20 HD3 LYS 3 HD1 LYS 3 6.774 0.392 4.673 21 HE2 LYS 3 HE2 LYS 3 8.716 0.446 6.166 22 HE3 LYS 3 HE1 LYS 3 7.900 -1.113 6.202 23 HZ1 LYS 3 HZ1 LYS 3 10.282 -0.595 4.520 24 HZ2 LYS 3 HZ2 LYS 3 9.597 -2.088 4.926 25 HZ3 LYS 3 HZ3 LYS 3 10.389 -1.176 6.106 26 H CYS 4 HN CYS 4 5.655 -0.791 -0.684 27 HA CYS 4 HA CYS 4 2.869 -0.440 -0.461 28 HB2 CYS 4 HB2 CYS 4 4.245 0.963 -1.937 29 HB3 CYS 4 HB1 CYS 4 4.575 -0.427 -2.959 30 H LYS 5 HN LYS 5 4.821 -2.853 -2.127 31 HA LYS 5 HA LYS 5 2.629 -4.212 -3.315 32 HB2 LYS 5 HB2 LYS 5 5.453 -5.118 -2.739 33 HB3 LYS 5 HB1 LYS 5 4.290 -6.051 -3.671 34 HG2 LYS 5 HG2 LYS 5 4.163 -4.253 -5.317 35 HG3 LYS 5 HG1 LYS 5 5.328 -3.314 -4.387 36 HD2 LYS 5 HD2 LYS 5 7.006 -5.047 -4.719 37 HD3 LYS 5 HD1 LYS 5 5.835 -6.023 -5.608 38 HE2 LYS 5 HE2 LYS 5 6.858 -3.302 -6.408 39 HE3 LYS 5 HE1 LYS 5 7.325 -4.839 -7.131 40 HZ1 LYS 5 HZ1 LYS 5 4.599 -3.661 -7.164 41 HZ2 LYS 5 HZ2 LYS 5 5.027 -5.149 -7.843 42 HZ3 LYS 5 HZ3 LYS 5 5.670 -3.717 -8.472 43 H GLU 6 HN GLU 6 4.446 -4.617 -0.334 44 HA GLU 6 HA GLU 6 3.265 -7.026 0.513 45 HB2 GLU 6 HB2 GLU 6 5.322 -5.988 1.491 46 HB3 GLU 6 HB1 GLU 6 4.298 -4.778 2.253 47 HG2 GLU 6 HG2 GLU 6 4.787 -6.403 3.898 48 HG3 GLU 6 HG1 GLU 6 3.110 -6.654 3.416 49 H LEU 7 HN LEU 7 2.385 -3.639 1.076 50 HA LEU 7 HA LEU 7 0.197 -4.242 2.781 51 HB2 LEU 7 HB2 LEU 7 0.807 -1.763 1.184 52 HB3 LEU 7 HB1 LEU 7 -0.448 -1.881 2.400 53 HG LEU 7 HG LEU 7 2.515 -2.188 2.906 54 HD11 LEU 7 HD11 LEU 7 2.302 -0.062 4.094 55 HD12 LEU 7 HD12 LEU 7 0.617 0.050 3.586 56 HD13 LEU 7 HD13 LEU 7 1.907 0.102 2.383 57 HD21 LEU 7 HD21 LEU 7 1.898 -2.161 5.274 58 HD22 LEU 7 HD22 LEU 7 1.193 -3.543 4.440 59 HD23 LEU 7 HD23 LEU 7 0.195 -2.145 4.829 60 H LYS 8 HN LYS 8 0.496 -3.682 -0.694 61 HA LYS 8 HA LYS 8 -2.319 -3.773 -1.159 62 HB2 LYS 8 HB2 LYS 8 0.057 -4.026 -2.991 63 HB3 LYS 8 HB1 LYS 8 -1.592 -4.195 -3.575 64 HG2 LYS 8 HG2 LYS 8 -2.109 -1.947 -2.795 65 HG3 LYS 8 HG1 LYS 8 -0.464 -1.771 -2.188 66 HD2 LYS 8 HD2 LYS 8 -0.371 -0.680 -4.225 67 HD3 LYS 8 HD1 LYS 8 0.225 -2.288 -4.634 68 HE2 LYS 8 HE2 LYS 8 -2.660 -1.489 -4.948 69 HE3 LYS 8 HE1 LYS 8 -1.470 -1.251 -6.223 70 HZ1 LYS 8 HZ1 LYS 8 -2.637 -3.286 -6.590 71 HZ2 LYS 8 HZ2 LYS 8 -2.296 -3.841 -5.034 72 HZ3 LYS 8 HZ3 LYS 8 -1.047 -3.662 -6.158 73 H LYS 9 HN LYS 9 0.141 -6.183 -0.792 74 HA LYS 9 HA LYS 9 -1.457 -8.331 -1.841 75 HB2 LYS 9 HB2 LYS 9 0.990 -8.474 -1.814 76 HB3 LYS 9 HB1 LYS 9 0.994 -8.351 -0.062 77 HG2 LYS 9 HG2 LYS 9 -0.171 -10.489 0.096 78 HG3 LYS 9 HG1 LYS 9 -0.188 -10.607 -1.664 79 HD2 LYS 9 HD2 LYS 9 2.246 -10.620 -1.702 80 HD3 LYS 9 HD1 LYS 9 2.285 -10.451 0.052 81 HE2 LYS 9 HE2 LYS 9 2.671 -12.753 -0.535 82 HE3 LYS 9 HE1 LYS 9 1.106 -12.605 0.256 83 HZ1 LYS 9 HZ1 LYS 9 0.060 -12.647 -1.945 84 HZ2 LYS 9 HZ2 LYS 9 0.949 -14.051 -1.642 85 HZ3 LYS 9 HZ3 LYS 9 1.574 -12.864 -2.665 86 H ARG 10 HN ARG 10 -0.673 -7.047 1.336 87 HA ARG 10 HA ARG 10 -2.058 -8.961 2.875 88 HB2 ARG 10 HB2 ARG 10 -0.329 -7.479 3.784 89 HB3 ARG 10 HB1 ARG 10 -1.360 -6.089 3.500 90 HG2 ARG 10 HG2 ARG 10 -2.979 -6.963 5.113 91 HG3 ARG 10 HG1 ARG 10 -1.908 -8.341 5.418 92 HD2 ARG 10 HD2 ARG 10 -0.153 -6.818 6.163 93 HD3 ARG 10 HD1 ARG 10 -1.195 -5.437 5.839 94 HE ARG 10 HE ARG 10 -2.636 -6.930 7.605 95 HH11 ARG 10 HH11 ARG 10 0.674 -5.412 9.306 96 HH12 ARG 10 HH12 ARG 10 0.600 -5.590 7.584 97 HH21 ARG 10 HH21 ARG 10 -2.552 -6.688 9.864 98 HH22 ARG 10 HH22 ARG 10 -1.123 -6.049 10.614 99 H TYR 11 HN TYR 11 -2.972 -5.665 1.889 100 HA TYR 11 HA TYR 11 -5.655 -6.048 2.920 101 HB2 TYR 11 HB2 TYR 11 -4.323 -3.702 1.572 102 HB3 TYR 11 HB1 TYR 11 -5.980 -3.697 2.150 103 HD1 TYR 11 HD1 TYR 11 -6.411 -3.952 4.615 104 HD2 TYR 11 HD2 TYR 11 -2.522 -3.292 3.029 105 HE1 TYR 11 HE1 TYR 11 -5.625 -3.272 6.837 106 HE2 TYR 11 HE2 TYR 11 -1.726 -2.607 5.252 107 HH TYR 11 HH TYR 11 -2.699 -1.696 7.360 108 H AIB 12 HN AIB 12 -5.197 -7.842 0.920 109 HB11 AIB 12 HB11 AIB 12 -6.524 -9.665 -0.190 110 HB12 AIB 12 HB12 AIB 12 -5.046 -9.340 -1.097 111 HB13 AIB 12 HB13 AIB 12 -6.589 -9.474 -1.940 112 HB21 AIB 12 HB21 AIB 12 -6.248 -7.254 -2.967 113 HB22 AIB 12 HB22 AIB 12 -4.680 -7.252 -2.163 114 HB23 AIB 12 HB23 AIB 12 -5.778 -5.890 -1.950 115 H GLY 13 HN GLY 13 -7.681 -5.832 -2.056 116 HA2 GLY 13 HA2 GLY 13 -10.148 -6.148 -2.380 117 HA3 GLY 13 HA1 GLY 13 -10.180 -6.543 -0.671 118 H CYS 14 HN CYS 14 -8.024 -4.425 -0.314 119 HA CYS 14 HA CYS 14 -9.860 -2.138 -0.176 120 HB2 CYS 14 HB2 CYS 14 -7.192 -2.513 1.187 121 HB3 CYS 14 HB1 CYS 14 -8.353 -1.232 1.495 122 H GLU 15 HN GLU 15 -8.985 -0.013 -0.673 123 HA GLU 15 HA GLU 15 -7.171 -0.084 -2.950 124 HB2 GLU 15 HB2 GLU 15 -9.221 1.247 -3.147 125 HB3 GLU 15 HB1 GLU 15 -8.762 2.189 -1.736 126 HG2 GLU 15 HG2 GLU 15 -6.769 2.986 -2.974 127 HG3 GLU 15 HG1 GLU 15 -7.355 2.127 -4.397 128 H VAL 16 HN VAL 16 -5.093 -0.217 -2.324 129 HA VAL 16 HA VAL 16 -4.173 1.522 -0.143 130 HB VAL 16 HB VAL 16 -2.661 -0.710 -1.501 131 HG11 VAL 16 HG11 VAL 16 -1.197 0.962 -0.531 132 HG12 VAL 16 HG12 VAL 16 -1.142 -0.520 0.426 133 HG13 VAL 16 HG13 VAL 16 -2.068 0.866 1.000 134 HG21 VAL 16 HG21 VAL 16 -4.538 -1.654 -0.329 135 HG22 VAL 16 HG22 VAL 16 -4.163 -0.705 1.107 136 HG23 VAL 16 HG23 VAL 16 -3.062 -1.978 0.581 137 H ARG 17 HN ARG 17 -3.225 3.352 -0.652 138 HA ARG 17 HA ARG 17 -1.889 3.570 -3.266 139 HB2 ARG 17 HB2 ARG 17 -3.028 5.830 -1.621 140 HB3 ARG 17 HB1 ARG 17 -2.354 5.943 -3.239 141 HG2 ARG 17 HG2 ARG 17 -4.192 4.460 -4.031 142 HG3 ARG 17 HG1 ARG 17 -4.898 4.562 -2.419 143 HD2 ARG 17 HD2 ARG 17 -4.433 6.825 -4.356 144 HD3 ARG 17 HD1 ARG 17 -5.983 6.160 -3.846 145 HE ARG 17 HE ARG 17 -4.158 7.719 -2.125 146 HH11 ARG 17 HH11 ARG 17 -7.346 6.442 -2.834 147 HH12 ARG 17 HH12 ARG 17 -8.152 7.506 -1.721 148 HH21 ARG 17 HH21 ARG 17 -5.223 9.111 -0.646 149 HH22 ARG 17 HH22 ARG 17 -6.947 9.011 -0.470 150 H CYS 18 HN CYS 18 0.249 3.610 -3.119 151 HA CYS 18 HA CYS 18 1.453 4.375 -0.575 152 HB2 CYS 18 HB2 CYS 18 3.540 3.385 -1.690 153 HB3 CYS 18 HB1 CYS 18 2.255 2.280 -1.213 154 H ASP 19 HN ASP 19 2.322 6.294 -0.329 155 HA ASP 19 HA ASP 19 3.579 7.592 -2.644 156 HB2 ASP 19 HB2 ASP 19 1.355 8.643 -2.159 157 HB3 ASP 19 HB1 ASP 19 1.952 9.053 -0.553 158 HA DPR 20 HA DPR 20 6.985 8.593 -0.022 159 HB2 DPR 20 HB2 DPR 20 8.426 7.795 -1.581 160 HB3 DPR 20 HB1 DPR 20 8.541 6.400 -0.504 161 HG2 DPR 20 HG2 DPR 20 7.756 6.132 -3.051 162 HG3 DPR 20 HG1 DPR 20 7.070 5.141 -1.753 163 HD2 DPR 20 HD2 DPR 20 5.884 7.482 -3.174 164 HD3 DPR 20 HD1 DPR 20 5.097 6.014 -2.556 165 HA PRO 21 HA PRO 21 6.985 5.861 3.537 166 HB2 PRO 21 HB2 PRO 21 6.897 7.766 5.401 167 HB3 PRO 21 HB1 PRO 21 8.363 7.485 4.456 168 HG2 PRO 21 HG2 PRO 21 6.274 9.598 4.120 169 HG3 PRO 21 HG1 PRO 21 8.038 9.742 4.018 170 HD2 PRO 21 HD2 PRO 21 6.365 9.516 1.836 171 HD3 PRO 21 HD1 PRO 21 8.079 9.060 1.836 172 H ARG 22 HN ARG 22 4.519 7.752 2.246 173 HA ARG 22 HA ARG 22 2.686 7.221 4.477 174 HB2 ARG 22 HB2 ARG 22 2.346 8.953 2.027 175 HB3 ARG 22 HB1 ARG 22 1.114 8.708 3.255 176 HG2 ARG 22 HG2 ARG 22 2.795 9.635 4.916 177 HG3 ARG 22 HG1 ARG 22 3.740 10.132 3.511 178 HD2 ARG 22 HD2 ARG 22 2.336 11.962 4.276 179 HD3 ARG 22 HD1 ARG 22 1.827 11.414 2.679 180 HE ARG 22 HE ARG 22 0.432 10.423 5.070 181 HH11 ARG 22 HH11 ARG 22 0.387 12.217 2.061 182 HH12 ARG 22 HH12 ARG 22 -1.338 12.394 2.051 183 HH21 ARG 22 HH21 ARG 22 -2.603 11.504 3.750 184 HH22 ARG 22 HH22 ARG 22 -1.840 10.646 5.052 185 H TYR 23 HN TYR 23 0.877 5.990 4.258 186 HA TYR 23 HA TYR 23 0.367 4.760 1.655 187 HB2 TYR 23 HB2 TYR 23 0.566 3.214 4.243 188 HB3 TYR 23 HB1 TYR 23 0.114 2.556 2.674 189 HD1 TYR 23 HD1 TYR 23 2.850 3.536 4.831 190 HD2 TYR 23 HD2 TYR 23 1.800 2.456 0.855 191 HE1 TYR 23 HE1 TYR 23 5.213 3.092 4.334 192 HE2 TYR 23 HE2 TYR 23 4.163 2.007 0.349 193 HH TYR 23 HH TYR 23 6.369 2.646 1.157 194 H GLU 24 HN GLU 24 -1.653 5.043 1.135 195 HA GLU 24 HA GLU 24 -3.616 5.574 3.242 196 HB2 GLU 24 HB2 GLU 24 -3.439 6.282 0.341 197 HB3 GLU 24 HB1 GLU 24 -5.016 6.210 1.113 198 HG2 GLU 24 HG2 GLU 24 -2.719 7.886 2.091 199 HG3 GLU 24 HG1 GLU 24 -4.031 8.474 1.066 200 H VAL 25 HN VAL 25 -4.560 3.793 3.933 201 HA VAL 25 HA VAL 25 -5.283 1.709 2.000 202 HB VAL 25 HB VAL 25 -5.170 1.577 5.020 203 HG11 VAL 25 HG11 VAL 25 -5.540 -0.829 4.740 204 HG12 VAL 25 HG12 VAL 25 -5.733 -0.595 3.004 205 HG13 VAL 25 HG13 VAL 25 -6.898 0.111 4.122 206 HG21 VAL 25 HG21 VAL 25 -3.360 0.361 2.937 207 HG22 VAL 25 HG22 VAL 25 -3.248 0.098 4.677 208 HG23 VAL 25 HG23 VAL 25 -2.956 1.704 4.006 209 H HIS 26 HN HIS 26 -7.243 2.050 1.200 210 HA HIS 26 HA HIS 26 -9.357 2.948 3.042 211 HB2 HIS 26 HB2 HIS 26 -8.972 3.482 0.102 212 HB3 HIS 26 HB1 HIS 26 -10.499 3.769 0.918 213 HD1 HIS 26 HD1 HIS 26 -10.751 5.984 2.067 214 HD2 HIS 26 HD2 HIS 26 -6.795 5.110 1.158 215 HE1 HIS 26 HE1 HIS 26 -9.454 8.063 2.625 216 HE2 HIS 26 HE2 HIS 26 -7.039 7.438 2.274 217 H CYS 27 HN CYS 27 -10.295 1.097 3.681 218 HA CYS 27 HA CYS 27 -10.883 -0.984 1.737 219 HB2 CYS 27 HB2 CYS 27 -11.303 -0.888 4.727 220 HB3 CYS 27 HB1 CYS 27 -11.617 -2.286 3.706 221 HN1 NH2 28 HN1 NH2 28 -12.481 -0.068 0.514 222 HN2 NH2 28 HN2 NH2 28 -14.064 0.272 1.117 Start of MODEL 6 1 H1 ASN 1 HT1 ASN 1 10.809 -1.513 -2.292 2 H2 ASN 1 HT2 ASN 1 10.278 -0.514 -1.032 3 H3 ASN 1 HT3 ASN 1 10.701 0.160 -2.521 4 HA ASN 1 HA ASN 1 8.315 0.076 -2.254 5 HB2 ASN 1 HB2 ASN 1 9.463 -1.792 -4.337 6 HB3 ASN 1 HB1 ASN 1 7.804 -1.209 -4.352 7 HD21 ASN 1 HD21 ASN 1 8.081 -0.188 -6.325 8 HD22 ASN 1 HD22 ASN 1 9.000 1.269 -6.489 9 H ASP 2 HN ASP 2 9.765 -2.261 -0.652 10 HA ASP 2 HA ASP 2 8.135 -4.538 -1.001 11 HB2 ASP 2 HB2 ASP 2 10.314 -4.705 0.086 12 HB3 ASP 2 HB1 ASP 2 9.756 -3.681 1.403 13 H LYS 3 HN LYS 3 7.785 -1.657 0.955 14 HA LYS 3 HA LYS 3 5.801 -2.675 2.699 15 HB2 LYS 3 HB2 LYS 3 6.498 0.155 1.922 16 HB3 LYS 3 HB1 LYS 3 5.314 -0.251 3.156 17 HG2 LYS 3 HG2 LYS 3 7.061 -1.407 4.433 18 HG3 LYS 3 HG1 LYS 3 8.244 -0.950 3.208 19 HD2 LYS 3 HD2 LYS 3 7.828 1.407 3.666 20 HD3 LYS 3 HD1 LYS 3 6.612 0.968 4.867 21 HE2 LYS 3 HE2 LYS 3 8.356 -0.225 6.142 22 HE3 LYS 3 HE1 LYS 3 9.554 0.322 4.972 23 HZ1 LYS 3 HZ1 LYS 3 9.141 2.582 5.595 24 HZ2 LYS 3 HZ2 LYS 3 9.452 1.693 6.998 25 HZ3 LYS 3 HZ3 LYS 3 7.868 2.131 6.612 26 H CYS 4 HN CYS 4 5.592 -0.726 -0.267 27 HA CYS 4 HA CYS 4 2.789 -0.498 -0.298 28 HB2 CYS 4 HB2 CYS 4 4.266 0.887 -1.701 29 HB3 CYS 4 HB1 CYS 4 4.703 -0.534 -2.640 30 H LYS 5 HN LYS 5 4.981 -2.851 -1.715 31 HA LYS 5 HA LYS 5 3.118 -4.416 -3.094 32 HB2 LYS 5 HB2 LYS 5 5.468 -4.681 -3.502 33 HB3 LYS 5 HB1 LYS 5 5.769 -5.082 -1.821 34 HG2 LYS 5 HG2 LYS 5 4.251 -7.113 -2.246 35 HG3 LYS 5 HG1 LYS 5 4.503 -6.756 -3.956 36 HD2 LYS 5 HD2 LYS 5 6.109 -8.419 -3.147 37 HD3 LYS 5 HD1 LYS 5 6.922 -6.931 -3.641 38 HE2 LYS 5 HE2 LYS 5 7.100 -6.226 -1.333 39 HE3 LYS 5 HE1 LYS 5 6.182 -7.628 -0.801 40 HZ1 LYS 5 HZ1 LYS 5 8.589 -7.847 -0.487 41 HZ2 LYS 5 HZ2 LYS 5 8.812 -7.750 -2.163 42 HZ3 LYS 5 HZ3 LYS 5 7.957 -9.051 -1.498 43 H GLU 6 HN GLU 6 4.397 -4.712 0.206 44 HA GLU 6 HA GLU 6 2.987 -7.079 0.835 45 HB2 GLU 6 HB2 GLU 6 5.004 -6.312 2.045 46 HB3 GLU 6 HB1 GLU 6 4.079 -4.972 2.710 47 HG2 GLU 6 HG2 GLU 6 2.582 -6.606 3.808 48 HG3 GLU 6 HG1 GLU 6 3.616 -7.903 3.213 49 H LEU 7 HN LEU 7 2.246 -3.655 1.258 50 HA LEU 7 HA LEU 7 -0.070 -4.061 2.837 51 HB2 LEU 7 HB2 LEU 7 0.814 -1.755 1.116 52 HB3 LEU 7 HB1 LEU 7 -0.628 -1.717 2.112 53 HG LEU 7 HG LEU 7 2.134 -2.203 3.223 54 HD11 LEU 7 HD11 LEU 7 0.563 0.367 3.092 55 HD12 LEU 7 HD12 LEU 7 2.053 0.016 2.220 56 HD13 LEU 7 HD13 LEU 7 2.067 0.128 3.980 57 HD21 LEU 7 HD21 LEU 7 0.317 -3.037 4.615 58 HD22 LEU 7 HD22 LEU 7 -0.483 -1.467 4.530 59 HD23 LEU 7 HD23 LEU 7 1.069 -1.623 5.352 60 H LYS 8 HN LYS 8 0.411 -3.582 -0.648 61 HA LYS 8 HA LYS 8 -2.364 -3.694 -1.269 62 HB2 LYS 8 HB2 LYS 8 0.096 -4.061 -2.973 63 HB3 LYS 8 HB1 LYS 8 -1.534 -4.135 -3.625 64 HG2 LYS 8 HG2 LYS 8 -1.946 -1.850 -2.928 65 HG3 LYS 8 HG1 LYS 8 -0.345 -1.764 -2.195 66 HD2 LYS 8 HD2 LYS 8 -0.254 -0.682 -4.328 67 HD3 LYS 8 HD1 LYS 8 0.632 -2.202 -4.442 68 HE2 LYS 8 HE2 LYS 8 -1.367 -3.246 -5.461 69 HE3 LYS 8 HE1 LYS 8 -2.174 -1.680 -5.418 70 HZ1 LYS 8 HZ1 LYS 8 0.277 -2.361 -6.946 71 HZ2 LYS 8 HZ2 LYS 8 -0.386 -0.809 -6.848 72 HZ3 LYS 8 HZ3 LYS 8 -1.257 -2.059 -7.587 73 H LYS 9 HN LYS 9 0.146 -6.091 -0.923 74 HA LYS 9 HA LYS 9 -1.329 -8.278 -1.998 75 HB2 LYS 9 HB2 LYS 9 1.128 -8.270 -1.777 76 HB3 LYS 9 HB1 LYS 9 0.968 -8.233 -0.029 77 HG2 LYS 9 HG2 LYS 9 -0.182 -10.436 -0.155 78 HG3 LYS 9 HG1 LYS 9 0.190 -10.470 -1.881 79 HD2 LYS 9 HD2 LYS 9 2.584 -10.264 -1.343 80 HD3 LYS 9 HD1 LYS 9 2.186 -10.303 0.374 81 HE2 LYS 9 HE2 LYS 9 2.880 -12.494 -0.260 82 HE3 LYS 9 HE1 LYS 9 1.136 -12.539 -0.005 83 HZ1 LYS 9 HZ1 LYS 9 1.802 -13.735 -2.002 84 HZ2 LYS 9 HZ2 LYS 9 2.477 -12.324 -2.644 85 HZ3 LYS 9 HZ3 LYS 9 0.809 -12.420 -2.385 86 H ARG 10 HN ARG 10 -0.805 -7.001 1.244 87 HA ARG 10 HA ARG 10 -2.155 -9.040 2.651 88 HB2 ARG 10 HB2 ARG 10 -0.525 -7.371 3.608 89 HB3 ARG 10 HB1 ARG 10 -1.804 -6.170 3.521 90 HG2 ARG 10 HG2 ARG 10 -3.184 -7.705 4.963 91 HG3 ARG 10 HG1 ARG 10 -1.711 -8.649 5.210 92 HD2 ARG 10 HD2 ARG 10 -2.155 -5.752 5.925 93 HD3 ARG 10 HD1 ARG 10 -2.012 -7.103 7.045 94 HE ARG 10 HE ARG 10 0.324 -6.990 5.496 95 HH11 ARG 10 HH11 ARG 10 0.107 -4.442 8.597 96 HH12 ARG 10 HH12 ARG 10 -1.340 -5.172 7.979 97 HH21 ARG 10 HH21 ARG 10 2.251 -6.025 6.320 98 HH22 ARG 10 HH22 ARG 10 2.135 -4.930 7.663 99 H TYR 11 HN TYR 11 -3.178 -5.772 1.689 100 HA TYR 11 HA TYR 11 -5.881 -6.359 2.597 101 HB2 TYR 11 HB2 TYR 11 -4.681 -3.794 1.546 102 HB3 TYR 11 HB1 TYR 11 -6.298 -3.969 2.221 103 HD1 TYR 11 HD1 TYR 11 -6.513 -4.701 4.639 104 HD2 TYR 11 HD2 TYR 11 -2.837 -3.397 2.944 105 HE1 TYR 11 HE1 TYR 11 -5.625 -4.286 6.890 106 HE2 TYR 11 HE2 TYR 11 -1.944 -2.977 5.192 107 HH TYR 11 HH TYR 11 -2.854 -2.487 7.476 108 H AIB 12 HN AIB 12 -5.611 -7.995 0.668 109 HB11 AIB 12 HB11 AIB 12 -7.178 -9.586 -0.525 110 HB12 AIB 12 HB12 AIB 12 -5.573 -9.575 -1.255 111 HB13 AIB 12 HB13 AIB 12 -7.007 -9.461 -2.275 112 HB21 AIB 12 HB21 AIB 12 -6.117 -7.424 -3.294 113 HB22 AIB 12 HB22 AIB 12 -4.687 -7.590 -2.278 114 HB23 AIB 12 HB23 AIB 12 -5.592 -6.078 -2.281 115 H GLY 13 HN GLY 13 -7.484 -5.953 -2.870 116 HA2 GLY 13 HA2 GLY 13 -9.788 -5.701 -3.494 117 HA3 GLY 13 HA1 GLY 13 -10.238 -6.268 -1.894 118 H CYS 14 HN CYS 14 -7.982 -4.444 -0.850 119 HA CYS 14 HA CYS 14 -9.709 -2.099 -0.619 120 HB2 CYS 14 HB2 CYS 14 -7.175 -2.779 0.872 121 HB3 CYS 14 HB1 CYS 14 -8.266 -1.451 1.237 122 H GLU 15 HN GLU 15 -8.912 0.012 -0.925 123 HA GLU 15 HA GLU 15 -6.983 0.205 -3.080 124 HB2 GLU 15 HB2 GLU 15 -8.615 2.347 -1.710 125 HB3 GLU 15 HB1 GLU 15 -7.650 2.566 -3.160 126 HG2 GLU 15 HG2 GLU 15 -10.044 0.762 -2.908 127 HG3 GLU 15 HG1 GLU 15 -10.022 2.352 -3.667 128 H VAL 16 HN VAL 16 -4.913 0.151 -2.463 129 HA VAL 16 HA VAL 16 -4.145 1.546 -0.002 130 HB VAL 16 HB VAL 16 -2.525 -0.389 -1.665 131 HG11 VAL 16 HG11 VAL 16 -0.977 -0.393 0.228 132 HG12 VAL 16 HG12 VAL 16 -1.970 0.813 1.046 133 HG13 VAL 16 HG13 VAL 16 -1.141 1.224 -0.457 134 HG21 VAL 16 HG21 VAL 16 -4.028 -0.779 0.916 135 HG22 VAL 16 HG22 VAL 16 -2.864 -1.928 0.264 136 HG23 VAL 16 HG23 VAL 16 -4.342 -1.569 -0.628 137 H ARG 17 HN ARG 17 -3.572 3.575 -0.299 138 HA ARG 17 HA ARG 17 -2.381 4.487 -2.775 139 HB2 ARG 17 HB2 ARG 17 -2.867 5.948 -0.179 140 HB3 ARG 17 HB1 ARG 17 -2.276 6.687 -1.652 141 HG2 ARG 17 HG2 ARG 17 -4.379 6.142 -2.769 142 HG3 ARG 17 HG1 ARG 17 -4.974 5.405 -1.280 143 HD2 ARG 17 HD2 ARG 17 -4.753 7.539 -0.122 144 HD3 ARG 17 HD1 ARG 17 -4.120 8.281 -1.588 145 HE ARG 17 HE ARG 17 -6.572 7.249 -2.286 146 HH11 ARG 17 HH11 ARG 17 -5.383 9.528 0.106 147 HH12 ARG 17 HH12 ARG 17 -6.815 10.515 0.061 148 HH21 ARG 17 HH21 ARG 17 -8.461 8.541 -2.340 149 HH22 ARG 17 HH22 ARG 17 -8.568 9.950 -1.333 150 H CYS 18 HN CYS 18 -0.285 4.489 -3.174 151 HA CYS 18 HA CYS 18 1.581 4.296 -0.913 152 HB2 CYS 18 HB2 CYS 18 1.925 3.299 -3.745 153 HB3 CYS 18 HB1 CYS 18 3.130 3.182 -2.470 154 H ASP 19 HN ASP 19 2.398 6.263 -0.564 155 HA ASP 19 HA ASP 19 3.464 7.737 -2.867 156 HB2 ASP 19 HB2 ASP 19 1.817 8.874 -0.606 157 HB3 ASP 19 HB1 ASP 19 2.792 9.867 -1.684 158 HA DPR 20 HA DPR 20 7.150 8.264 -0.464 159 HB2 DPR 20 HB2 DPR 20 8.715 7.023 -1.526 160 HB3 DPR 20 HB1 DPR 20 7.902 5.508 -1.127 161 HG2 DPR 20 HG2 DPR 20 7.462 7.345 -3.432 162 HG3 DPR 20 HG1 DPR 20 7.432 5.573 -3.388 163 HD2 DPR 20 HD2 DPR 20 5.174 7.013 -3.468 164 HD3 DPR 20 HD1 DPR 20 5.276 5.511 -2.528 165 HA PRO 21 HA PRO 21 6.878 5.713 3.230 166 HB2 PRO 21 HB2 PRO 21 7.095 7.686 5.004 167 HB3 PRO 21 HB1 PRO 21 8.483 7.196 4.024 168 HG2 PRO 21 HG2 PRO 21 6.634 9.524 3.655 169 HG3 PRO 21 HG1 PRO 21 8.399 9.466 3.510 170 HD2 PRO 21 HD2 PRO 21 6.661 9.342 1.377 171 HD3 PRO 21 HD1 PRO 21 8.312 8.695 1.361 172 H ARG 22 HN ARG 22 4.630 7.720 1.832 173 HA ARG 22 HA ARG 22 2.793 7.670 4.121 174 HB2 ARG 22 HB2 ARG 22 2.598 9.088 1.462 175 HB3 ARG 22 HB1 ARG 22 1.384 9.167 2.729 176 HG2 ARG 22 HG2 ARG 22 2.894 10.302 4.197 177 HG3 ARG 22 HG1 ARG 22 4.236 10.062 3.076 178 HD2 ARG 22 HD2 ARG 22 1.751 11.667 2.490 179 HD3 ARG 22 HD1 ARG 22 3.300 12.347 2.986 180 HE ARG 22 HE ARG 22 3.999 10.934 0.820 181 HH11 ARG 22 HH11 ARG 22 1.356 13.170 1.342 182 HH12 ARG 22 HH12 ARG 22 1.351 13.744 -0.295 183 HH21 ARG 22 HH21 ARG 22 2.855 12.898 -1.823 184 HH22 ARG 22 HH22 ARG 22 4.001 11.690 -1.332 185 H TYR 23 HN TYR 23 1.180 6.250 4.221 186 HA TYR 23 HA TYR 23 0.327 4.917 1.755 187 HB2 TYR 23 HB2 TYR 23 0.932 3.498 4.354 188 HB3 TYR 23 HB1 TYR 23 0.300 2.754 2.891 189 HD1 TYR 23 HD1 TYR 23 3.227 3.674 4.693 190 HD2 TYR 23 HD2 TYR 23 1.748 2.873 0.789 191 HE1 TYR 23 HE1 TYR 23 5.523 3.305 3.907 192 HE2 TYR 23 HE2 TYR 23 4.037 2.502 -0.007 193 HH TYR 23 HH TYR 23 6.397 3.371 0.774 194 H GLU 24 HN GLU 24 -1.808 4.714 1.558 195 HA GLU 24 HA GLU 24 -3.447 5.032 3.992 196 HB2 GLU 24 HB2 GLU 24 -4.076 6.210 1.282 197 HB3 GLU 24 HB1 GLU 24 -5.116 6.280 2.694 198 HG2 GLU 24 HG2 GLU 24 -3.241 7.527 3.843 199 HG3 GLU 24 HG1 GLU 24 -2.490 7.659 2.253 200 H VAL 25 HN VAL 25 -4.252 3.062 4.305 201 HA VAL 25 HA VAL 25 -5.162 1.476 2.040 202 HB VAL 25 HB VAL 25 -5.212 0.844 4.996 203 HG11 VAL 25 HG11 VAL 25 -5.618 -1.472 4.281 204 HG12 VAL 25 HG12 VAL 25 -5.723 -0.926 2.609 205 HG13 VAL 25 HG13 VAL 25 -6.920 -0.390 3.786 206 HG21 VAL 25 HG21 VAL 25 -3.313 -0.079 2.843 207 HG22 VAL 25 HG22 VAL 25 -3.311 -0.622 4.520 208 HG23 VAL 25 HG23 VAL 25 -2.937 1.057 4.135 209 H HIS 26 HN HIS 26 -7.162 1.723 1.284 210 HA HIS 26 HA HIS 26 -9.254 2.579 3.176 211 HB2 HIS 26 HB2 HIS 26 -8.583 4.253 1.384 212 HB3 HIS 26 HB1 HIS 26 -9.259 3.134 0.213 213 HD1 HIS 26 HD1 HIS 26 -11.819 2.994 0.037 214 HD2 HIS 26 HD2 HIS 26 -10.464 5.582 2.991 215 HE1 HIS 26 HE1 HIS 26 -13.835 4.300 0.767 216 HE2 HIS 26 HE2 HIS 26 -12.945 5.997 2.398 217 H CYS 27 HN CYS 27 -10.263 0.723 3.674 218 HA CYS 27 HA CYS 27 -10.992 -1.125 1.533 219 HB2 CYS 27 HB2 CYS 27 -11.294 -1.375 4.534 220 HB3 CYS 27 HB1 CYS 27 -11.696 -2.623 3.362 221 HN1 NH2 28 HN1 NH2 28 -12.621 -0.087 0.495 222 HN2 NH2 28 HN2 NH2 28 -14.137 0.319 1.221 Start of MODEL 7 1 H1 ASN 1 HT1 ASN 1 11.289 -4.610 -0.345 2 H2 ASN 1 HT2 ASN 1 12.900 -4.126 -0.512 3 H3 ASN 1 HT3 ASN 1 11.969 -4.440 -1.886 4 HA ASN 1 HA ASN 1 11.478 -2.272 0.062 5 HB2 ASN 1 HB2 ASN 1 12.692 -2.230 -2.705 6 HB3 ASN 1 HB1 ASN 1 12.133 -0.788 -1.865 7 HD21 ASN 1 HD21 ASN 1 14.175 0.116 -1.846 8 HD22 ASN 1 HD22 ASN 1 15.438 -0.468 -0.816 9 H ASP 2 HN ASP 2 9.870 -4.458 -1.570 10 HA ASP 2 HA ASP 2 8.074 -2.717 -3.039 11 HB2 ASP 2 HB2 ASP 2 6.883 -4.815 -3.609 12 HB3 ASP 2 HB1 ASP 2 8.588 -4.882 -4.023 13 H LYS 3 HN LYS 3 7.971 -1.736 -0.678 14 HA LYS 3 HA LYS 3 6.438 -2.993 1.310 15 HB2 LYS 3 HB2 LYS 3 6.877 -0.051 0.788 16 HB3 LYS 3 HB1 LYS 3 6.169 -0.712 2.253 17 HG2 LYS 3 HG2 LYS 3 8.247 -1.883 2.745 18 HG3 LYS 3 HG1 LYS 3 8.960 -1.251 1.260 19 HD2 LYS 3 HD2 LYS 3 9.673 0.057 3.192 20 HD3 LYS 3 HD1 LYS 3 8.689 1.035 2.103 21 HE2 LYS 3 HE2 LYS 3 6.739 0.656 3.548 22 HE3 LYS 3 HE1 LYS 3 7.741 -0.300 4.637 23 HZ1 LYS 3 HZ1 LYS 3 9.069 1.646 5.088 24 HZ2 LYS 3 HZ2 LYS 3 7.446 1.969 5.423 25 HZ3 LYS 3 HZ3 LYS 3 8.153 2.571 4.008 26 H CYS 4 HN CYS 4 5.535 -0.752 -1.267 27 HA CYS 4 HA CYS 4 2.838 -0.456 -0.543 28 HB2 CYS 4 HB2 CYS 4 3.980 1.030 -2.136 29 HB3 CYS 4 HB1 CYS 4 4.103 -0.294 -3.285 30 H LYS 5 HN LYS 5 4.511 -2.819 -2.538 31 HA LYS 5 HA LYS 5 2.207 -4.145 -3.511 32 HB2 LYS 5 HB2 LYS 5 4.463 -4.350 -4.529 33 HB3 LYS 5 HB1 LYS 5 4.998 -5.237 -3.109 34 HG2 LYS 5 HG2 LYS 5 4.552 -6.828 -4.794 35 HG3 LYS 5 HG1 LYS 5 3.237 -6.941 -3.625 36 HD2 LYS 5 HD2 LYS 5 1.809 -5.607 -5.084 37 HD3 LYS 5 HD1 LYS 5 3.131 -5.439 -6.240 38 HE2 LYS 5 HE2 LYS 5 3.158 -7.902 -6.496 39 HE3 LYS 5 HE1 LYS 5 1.759 -7.995 -5.429 40 HZ1 LYS 5 HZ1 LYS 5 1.111 -8.063 -7.750 41 HZ2 LYS 5 HZ2 LYS 5 1.847 -6.568 -8.029 42 HZ3 LYS 5 HZ3 LYS 5 0.504 -6.669 -7.007 43 H GLU 6 HN GLU 6 4.313 -4.633 -0.726 44 HA GLU 6 HA GLU 6 3.148 -7.001 0.246 45 HB2 GLU 6 HB2 GLU 6 4.515 -4.759 1.751 46 HB3 GLU 6 HB1 GLU 6 4.093 -6.312 2.455 47 HG2 GLU 6 HG2 GLU 6 5.562 -7.408 0.784 48 HG3 GLU 6 HG1 GLU 6 6.060 -5.812 0.231 49 H LEU 7 HN LEU 7 2.429 -3.598 0.886 50 HA LEU 7 HA LEU 7 0.407 -4.111 2.803 51 HB2 LEU 7 HB2 LEU 7 0.877 -1.704 1.059 52 HB3 LEU 7 HB1 LEU 7 -0.247 -1.758 2.399 53 HG LEU 7 HG LEU 7 2.750 -2.070 2.594 54 HD11 LEU 7 HD11 LEU 7 2.049 0.217 2.108 55 HD12 LEU 7 HD12 LEU 7 2.677 0.074 3.749 56 HD13 LEU 7 HD13 LEU 7 0.938 0.172 3.478 57 HD21 LEU 7 HD21 LEU 7 1.663 -3.408 4.295 58 HD22 LEU 7 HD22 LEU 7 0.636 -2.049 4.746 59 HD23 LEU 7 HD23 LEU 7 2.372 -1.972 5.030 60 H LYS 8 HN LYS 8 0.360 -3.642 -0.692 61 HA LYS 8 HA LYS 8 -2.450 -3.672 -0.986 62 HB2 LYS 8 HB2 LYS 8 -0.199 -4.331 -2.868 63 HB3 LYS 8 HB1 LYS 8 -1.879 -4.488 -3.353 64 HG2 LYS 8 HG2 LYS 8 -2.246 -2.126 -2.931 65 HG3 LYS 8 HG1 LYS 8 -0.580 -1.949 -2.380 66 HD2 LYS 8 HD2 LYS 8 -0.852 -1.185 -4.685 67 HD3 LYS 8 HD1 LYS 8 0.229 -2.574 -4.589 68 HE2 LYS 8 HE2 LYS 8 -1.554 -4.048 -5.308 69 HE3 LYS 8 HE1 LYS 8 -2.695 -2.707 -5.310 70 HZ1 LYS 8 HZ1 LYS 8 -0.307 -2.938 -7.055 71 HZ2 LYS 8 HZ2 LYS 8 -1.422 -1.667 -7.068 72 HZ3 LYS 8 HZ3 LYS 8 -1.904 -3.219 -7.531 73 H LYS 9 HN LYS 9 -0.034 -6.218 -0.893 74 HA LYS 9 HA LYS 9 -1.800 -8.343 -1.534 75 HB2 LYS 9 HB2 LYS 9 0.674 -8.447 -1.756 76 HB3 LYS 9 HB1 LYS 9 0.808 -8.415 -0.003 77 HG2 LYS 9 HG2 LYS 9 -0.438 -10.538 0.106 78 HG3 LYS 9 HG1 LYS 9 -0.486 -10.573 -1.657 79 HD2 LYS 9 HD2 LYS 9 1.316 -11.977 -0.915 80 HD3 LYS 9 HD1 LYS 9 2.000 -10.535 -1.668 81 HE2 LYS 9 HE2 LYS 9 3.195 -11.109 0.379 82 HE3 LYS 9 HE1 LYS 9 2.378 -9.555 0.534 83 HZ1 LYS 9 HZ1 LYS 9 2.070 -10.866 2.514 84 HZ2 LYS 9 HZ2 LYS 9 1.426 -12.146 1.621 85 HZ3 LYS 9 HZ3 LYS 9 0.586 -10.686 1.727 86 H ARG 10 HN ARG 10 -0.720 -6.873 1.470 87 HA ARG 10 HA ARG 10 -1.906 -8.751 3.227 88 HB2 ARG 10 HB2 ARG 10 -0.097 -7.178 3.856 89 HB3 ARG 10 HB1 ARG 10 -1.234 -5.847 3.719 90 HG2 ARG 10 HG2 ARG 10 -2.533 -6.691 5.554 91 HG3 ARG 10 HG1 ARG 10 -1.530 -8.147 5.642 92 HD2 ARG 10 HD2 ARG 10 -0.616 -5.308 6.130 93 HD3 ARG 10 HD1 ARG 10 -0.890 -6.539 7.366 94 HE ARG 10 HE ARG 10 0.926 -7.699 5.718 95 HH11 ARG 10 HH11 ARG 10 2.559 -4.530 7.562 96 HH12 ARG 10 HH12 ARG 10 0.837 -4.626 7.396 97 HH21 ARG 10 HH21 ARG 10 3.197 -7.565 5.940 98 HH22 ARG 10 HH22 ARG 10 3.895 -6.201 6.754 99 H TYR 11 HN TYR 11 -2.967 -5.583 2.035 100 HA TYR 11 HA TYR 11 -5.552 -5.913 3.327 101 HB2 TYR 11 HB2 TYR 11 -4.387 -3.655 1.697 102 HB3 TYR 11 HB1 TYR 11 -5.991 -3.638 2.417 103 HD1 TYR 11 HD1 TYR 11 -6.197 -3.799 4.914 104 HD2 TYR 11 HD2 TYR 11 -2.488 -3.070 2.973 105 HE1 TYR 11 HE1 TYR 11 -5.276 -2.929 7.017 106 HE2 TYR 11 HE2 TYR 11 -1.553 -2.202 5.069 107 HH TYR 11 HH TYR 11 -2.527 -1.118 7.207 108 H AIB 12 HN AIB 12 -5.582 -7.898 1.783 109 HB11 AIB 12 HB11 AIB 12 -7.285 -9.880 -0.651 110 HB12 AIB 12 HB12 AIB 12 -7.290 -9.629 1.095 111 HB13 AIB 12 HB13 AIB 12 -5.763 -9.846 0.238 112 HB21 AIB 12 HB21 AIB 12 -6.411 -8.179 -2.150 113 HB22 AIB 12 HB22 AIB 12 -4.905 -8.135 -1.237 114 HB23 AIB 12 HB23 AIB 12 -5.806 -6.646 -1.520 115 H GLY 13 HN GLY 13 -7.766 -6.697 -2.003 116 HA2 GLY 13 HA2 GLY 13 -10.063 -6.402 -2.478 117 HA3 GLY 13 HA1 GLY 13 -10.428 -6.728 -0.794 118 H CYS 14 HN CYS 14 -8.016 -4.734 -0.349 119 HA CYS 14 HA CYS 14 -9.748 -2.358 -0.443 120 HB2 CYS 14 HB2 CYS 14 -7.302 -2.826 1.258 121 HB3 CYS 14 HB1 CYS 14 -8.413 -1.470 1.374 122 H GLU 15 HN GLU 15 -8.844 -0.353 -1.061 123 HA GLU 15 HA GLU 15 -6.741 -0.573 -3.049 124 HB2 GLU 15 HB2 GLU 15 -8.289 1.859 -2.146 125 HB3 GLU 15 HB1 GLU 15 -7.269 1.748 -3.568 126 HG2 GLU 15 HG2 GLU 15 -8.792 0.196 -4.597 127 HG3 GLU 15 HG1 GLU 15 -9.780 0.150 -3.137 128 H VAL 16 HN VAL 16 -4.661 -0.184 -2.596 129 HA VAL 16 HA VAL 16 -4.079 1.357 -0.164 130 HB VAL 16 HB VAL 16 -2.314 -0.683 -1.521 131 HG11 VAL 16 HG11 VAL 16 -1.933 0.817 1.070 132 HG12 VAL 16 HG12 VAL 16 -1.053 1.114 -0.431 133 HG13 VAL 16 HG13 VAL 16 -0.860 -0.421 0.418 134 HG21 VAL 16 HG21 VAL 16 -4.168 -1.777 -0.441 135 HG22 VAL 16 HG22 VAL 16 -3.928 -0.822 1.022 136 HG23 VAL 16 HG23 VAL 16 -2.720 -2.012 0.539 137 H ARG 17 HN ARG 17 -3.345 3.289 -0.471 138 HA ARG 17 HA ARG 17 -2.089 3.989 -3.029 139 HB2 ARG 17 HB2 ARG 17 -4.089 5.273 -2.325 140 HB3 ARG 17 HB1 ARG 17 -3.234 5.770 -0.874 141 HG2 ARG 17 HG2 ARG 17 -1.576 6.927 -2.261 142 HG3 ARG 17 HG1 ARG 17 -2.484 6.465 -3.704 143 HD2 ARG 17 HD2 ARG 17 -3.492 8.169 -1.427 144 HD3 ARG 17 HD1 ARG 17 -3.034 8.741 -3.030 145 HE ARG 17 HE ARG 17 -4.913 7.264 -3.851 146 HH11 ARG 17 HH11 ARG 17 -4.943 8.687 -0.632 147 HH12 ARG 17 HH12 ARG 17 -6.680 8.663 -0.524 148 HH21 ARG 17 HH21 ARG 17 -7.181 7.240 -3.682 149 HH22 ARG 17 HH22 ARG 17 -7.945 7.838 -2.244 150 H CYS 18 HN CYS 18 0.052 4.030 -3.020 151 HA CYS 18 HA CYS 18 1.431 4.562 -0.495 152 HB2 CYS 18 HB2 CYS 18 3.419 3.598 -1.893 153 HB3 CYS 18 HB1 CYS 18 2.223 2.513 -1.195 154 H ASP 19 HN ASP 19 2.333 6.477 -0.233 155 HA ASP 19 HA ASP 19 3.552 7.776 -2.564 156 HB2 ASP 19 HB2 ASP 19 1.396 8.915 -1.964 157 HB3 ASP 19 HB1 ASP 19 2.086 9.270 -0.383 158 HA DPR 20 HA DPR 20 7.098 8.656 -0.016 159 HB2 DPR 20 HB2 DPR 20 8.823 7.691 -1.142 160 HB3 DPR 20 HB1 DPR 20 8.083 6.088 -1.089 161 HG2 DPR 20 HG2 DPR 20 7.625 8.329 -3.010 162 HG3 DPR 20 HG1 DPR 20 7.739 6.589 -3.325 163 HD2 DPR 20 HD2 DPR 20 5.375 7.867 -3.232 164 HD3 DPR 20 HD1 DPR 20 5.557 6.196 -2.660 165 HA PRO 21 HA PRO 21 7.208 5.475 3.175 166 HB2 PRO 21 HB2 PRO 21 7.578 7.108 5.244 167 HB3 PRO 21 HB1 PRO 21 8.879 6.809 4.084 168 HG2 PRO 21 HG2 PRO 21 7.023 9.150 4.288 169 HG3 PRO 21 HG1 PRO 21 8.767 9.133 3.978 170 HD2 PRO 21 HD2 PRO 21 6.840 9.366 2.019 171 HD3 PRO 21 HD1 PRO 21 8.480 8.751 1.742 172 H ARG 22 HN ARG 22 4.781 7.552 2.317 173 HA ARG 22 HA ARG 22 3.199 6.923 4.726 174 HB2 ARG 22 HB2 ARG 22 2.842 9.230 2.808 175 HB3 ARG 22 HB1 ARG 22 1.831 8.898 4.208 176 HG2 ARG 22 HG2 ARG 22 3.795 9.199 5.664 177 HG3 ARG 22 HG1 ARG 22 4.760 9.601 4.243 178 HD2 ARG 22 HD2 ARG 22 3.189 11.478 3.796 179 HD3 ARG 22 HD1 ARG 22 2.387 11.111 5.323 180 HE ARG 22 HE ARG 22 5.144 11.450 5.773 181 HH11 ARG 22 HH11 ARG 22 2.283 13.301 4.994 182 HH12 ARG 22 HH12 ARG 22 2.903 14.779 5.654 183 HH21 ARG 22 HH21 ARG 22 4.998 14.830 6.605 184 HH22 ARG 22 HH22 ARG 22 5.966 13.391 6.650 185 H TYR 23 HN TYR 23 1.196 6.016 4.497 186 HA TYR 23 HA TYR 23 0.410 5.256 1.772 187 HB2 TYR 23 HB2 TYR 23 0.496 3.318 4.086 188 HB3 TYR 23 HB1 TYR 23 0.104 2.956 2.412 189 HD1 TYR 23 HD1 TYR 23 2.790 3.663 4.779 190 HD2 TYR 23 HD2 TYR 23 1.843 2.781 0.732 191 HE1 TYR 23 HE1 TYR 23 5.154 3.147 4.343 192 HE2 TYR 23 HE2 TYR 23 4.197 2.258 0.285 193 HH TYR 23 HH TYR 23 6.483 1.826 2.751 194 H GLU 24 HN GLU 24 -1.779 4.688 1.522 195 HA GLU 24 HA GLU 24 -3.532 5.245 3.822 196 HB2 GLU 24 HB2 GLU 24 -4.002 6.172 0.979 197 HB3 GLU 24 HB1 GLU 24 -5.127 6.365 2.314 198 HG2 GLU 24 HG2 GLU 24 -3.509 7.804 3.459 199 HG3 GLU 24 HG1 GLU 24 -2.399 7.620 2.100 200 H VAL 25 HN VAL 25 -5.180 3.818 4.069 201 HA VAL 25 HA VAL 25 -5.455 1.761 1.980 202 HB VAL 25 HB VAL 25 -5.855 1.449 4.961 203 HG11 VAL 25 HG11 VAL 25 -6.047 -0.593 2.749 204 HG12 VAL 25 HG12 VAL 25 -7.395 0.053 3.685 205 HG13 VAL 25 HG13 VAL 25 -6.165 -0.930 4.477 206 HG21 VAL 25 HG21 VAL 25 -3.889 -0.021 4.851 207 HG22 VAL 25 HG22 VAL 25 -3.501 1.628 4.357 208 HG23 VAL 25 HG23 VAL 25 -3.704 0.369 3.141 209 H HIS 26 HN HIS 26 -7.339 1.730 1.004 210 HA HIS 26 HA HIS 26 -9.677 2.878 2.377 211 HB2 HIS 26 HB2 HIS 26 -8.865 4.326 0.561 212 HB3 HIS 26 HB1 HIS 26 -8.980 2.987 -0.562 213 HD1 HIS 26 HD1 HIS 26 -11.015 3.028 -1.959 214 HD2 HIS 26 HD2 HIS 26 -11.616 4.888 1.720 215 HE1 HIS 26 HE1 HIS 26 -13.364 3.916 -2.015 216 HE2 HIS 26 HE2 HIS 26 -13.757 4.878 0.275 217 H CYS 27 HN CYS 27 -10.592 0.990 3.089 218 HA CYS 27 HA CYS 27 -11.040 -1.180 1.210 219 HB2 CYS 27 HB2 CYS 27 -11.831 -0.887 4.115 220 HB3 CYS 27 HB1 CYS 27 -12.048 -2.338 3.144 221 HN1 NH2 28 HN1 NH2 28 -12.454 -0.342 -0.259 222 HN2 NH2 28 HN2 NH2 28 -14.082 0.096 0.125 Start of MODEL 8 1 H1 ASN 1 HT1 ASN 1 10.984 -0.138 -0.470 2 H2 ASN 1 HT2 ASN 1 11.222 1.388 -1.151 3 H3 ASN 1 HT3 ASN 1 10.947 0.052 -2.150 4 HA ASN 1 HA ASN 1 9.013 1.140 -0.199 5 HB2 ASN 1 HB2 ASN 1 9.153 1.443 -3.204 6 HB3 ASN 1 HB1 ASN 1 7.751 1.874 -2.231 7 HD21 ASN 1 HD21 ASN 1 9.395 3.557 -3.914 8 HD22 ASN 1 HD22 ASN 1 10.032 4.796 -2.891 9 H ASP 2 HN ASP 2 9.990 -1.636 -0.699 10 HA ASP 2 HA ASP 2 8.032 -3.050 -2.183 11 HB2 ASP 2 HB2 ASP 2 9.948 -3.943 -0.030 12 HB3 ASP 2 HB1 ASP 2 8.862 -5.049 -0.856 13 H LYS 3 HN LYS 3 8.018 -1.658 0.948 14 HA LYS 3 HA LYS 3 6.102 -3.243 2.229 15 HB2 LYS 3 HB2 LYS 3 6.741 -0.308 2.495 16 HB3 LYS 3 HB1 LYS 3 5.559 -1.120 3.512 17 HG2 LYS 3 HG2 LYS 3 7.332 -2.673 4.261 18 HG3 LYS 3 HG1 LYS 3 8.499 -1.743 3.324 19 HD2 LYS 3 HD2 LYS 3 7.983 0.247 4.646 20 HD3 LYS 3 HD1 LYS 3 6.801 -0.676 5.577 21 HE2 LYS 3 HE2 LYS 3 8.596 -2.173 6.334 22 HE3 LYS 3 HE1 LYS 3 9.766 -1.209 5.436 23 HZ1 LYS 3 HZ1 LYS 3 9.201 0.693 6.817 24 HZ2 LYS 3 HZ2 LYS 3 9.735 -0.599 7.765 25 HZ3 LYS 3 HZ3 LYS 3 8.087 -0.240 7.682 26 H CYS 4 HN CYS 4 5.797 -0.785 -0.230 27 HA CYS 4 HA CYS 4 3.036 -0.329 -0.081 28 HB2 CYS 4 HB2 CYS 4 4.409 1.056 -1.513 29 HB3 CYS 4 HB1 CYS 4 4.884 -0.338 -2.474 30 H LYS 5 HN LYS 5 4.903 -2.785 -1.799 31 HA LYS 5 HA LYS 5 2.651 -3.985 -3.045 32 HB2 LYS 5 HB2 LYS 5 5.511 -4.804 -2.656 33 HB3 LYS 5 HB1 LYS 5 4.342 -5.950 -3.289 34 HG2 LYS 5 HG2 LYS 5 5.544 -4.908 -5.093 35 HG3 LYS 5 HG1 LYS 5 3.855 -4.414 -5.142 36 HD2 LYS 5 HD2 LYS 5 4.448 -2.283 -4.107 37 HD3 LYS 5 HD1 LYS 5 6.137 -2.789 -4.015 38 HE2 LYS 5 HE2 LYS 5 5.767 -1.320 -5.926 39 HE3 LYS 5 HE1 LYS 5 6.234 -2.935 -6.450 40 HZ1 LYS 5 HZ1 LYS 5 4.415 -2.054 -7.774 41 HZ2 LYS 5 HZ2 LYS 5 3.457 -1.882 -6.393 42 HZ3 LYS 5 HZ3 LYS 5 3.916 -3.421 -6.915 43 H GLU 6 HN GLU 6 4.497 -4.640 -0.114 44 HA GLU 6 HA GLU 6 3.218 -7.038 0.603 45 HB2 GLU 6 HB2 GLU 6 4.538 -4.901 2.274 46 HB3 GLU 6 HB1 GLU 6 3.928 -6.404 2.953 47 HG2 GLU 6 HG2 GLU 6 6.048 -6.177 0.826 48 HG3 GLU 6 HG1 GLU 6 6.334 -6.486 2.536 49 H LEU 7 HN LEU 7 2.457 -3.666 1.398 50 HA LEU 7 HA LEU 7 0.226 -4.296 3.041 51 HB2 LEU 7 HB2 LEU 7 0.944 -1.753 1.586 52 HB3 LEU 7 HB1 LEU 7 -0.331 -1.890 2.777 53 HG LEU 7 HG LEU 7 2.593 -2.396 3.342 54 HD11 LEU 7 HD11 LEU 7 2.548 -0.254 4.519 55 HD12 LEU 7 HD12 LEU 7 0.892 0.012 3.974 56 HD13 LEU 7 HD13 LEU 7 2.207 -0.053 2.799 57 HD21 LEU 7 HD21 LEU 7 0.234 -2.119 5.205 58 HD22 LEU 7 HD22 LEU 7 1.916 -2.332 5.687 59 HD23 LEU 7 HD23 LEU 7 1.077 -3.621 4.826 60 H LYS 8 HN LYS 8 0.586 -3.400 -0.356 61 HA LYS 8 HA LYS 8 -2.201 -3.257 -0.883 62 HB2 LYS 8 HB2 LYS 8 -0.245 -2.236 -2.212 63 HB3 LYS 8 HB1 LYS 8 -0.096 -3.819 -2.956 64 HG2 LYS 8 HG2 LYS 8 -2.363 -3.663 -3.806 65 HG3 LYS 8 HG1 LYS 8 -2.572 -2.108 -2.999 66 HD2 LYS 8 HD2 LYS 8 -0.520 -2.680 -5.134 67 HD3 LYS 8 HD1 LYS 8 -2.074 -1.898 -5.419 68 HE2 LYS 8 HE2 LYS 8 -1.433 -0.084 -3.899 69 HE3 LYS 8 HE1 LYS 8 0.122 -0.866 -3.622 70 HZ1 LYS 8 HZ1 LYS 8 0.664 -0.579 -5.944 71 HZ2 LYS 8 HZ2 LYS 8 0.260 0.917 -5.272 72 HZ3 LYS 8 HZ3 LYS 8 -0.849 0.106 -6.254 73 H LYS 9 HN LYS 9 0.087 -5.856 -0.760 74 HA LYS 9 HA LYS 9 -1.645 -7.744 -2.076 75 HB2 LYS 9 HB2 LYS 9 0.818 -7.956 -2.134 76 HB3 LYS 9 HB1 LYS 9 0.828 -8.201 -0.394 77 HG2 LYS 9 HG2 LYS 9 -0.453 -10.258 -0.670 78 HG3 LYS 9 HG1 LYS 9 -0.476 -10.010 -2.416 79 HD2 LYS 9 HD2 LYS 9 1.993 -10.379 -0.725 80 HD3 LYS 9 HD1 LYS 9 1.253 -11.614 -1.742 81 HE2 LYS 9 HE2 LYS 9 2.436 -9.002 -2.687 82 HE3 LYS 9 HE1 LYS 9 3.173 -10.593 -2.850 83 HZ1 LYS 9 HZ1 LYS 9 0.641 -9.702 -4.120 84 HZ2 LYS 9 HZ2 LYS 9 1.294 -11.256 -4.243 85 HZ3 LYS 9 HZ3 LYS 9 2.123 -9.935 -4.898 86 H ARG 10 HN ARG 10 -0.716 -6.983 1.255 87 HA ARG 10 HA ARG 10 -2.156 -9.079 2.484 88 HB2 ARG 10 HB2 ARG 10 -0.382 -7.851 3.642 89 HB3 ARG 10 HB1 ARG 10 -1.352 -6.387 3.601 90 HG2 ARG 10 HG2 ARG 10 -3.021 -7.427 5.030 91 HG3 ARG 10 HG1 ARG 10 -2.079 -8.921 5.055 92 HD2 ARG 10 HD2 ARG 10 -1.172 -6.238 6.093 93 HD3 ARG 10 HD1 ARG 10 -1.725 -7.591 7.081 94 HE ARG 10 HE ARG 10 0.501 -8.205 5.340 95 HH11 ARG 10 HH11 ARG 10 1.036 -7.469 9.248 96 HH12 ARG 10 HH12 ARG 10 -0.461 -7.026 8.494 97 HH21 ARG 10 HH21 ARG 10 2.476 -8.758 6.331 98 HH22 ARG 10 HH22 ARG 10 2.697 -8.464 8.027 99 H TYR 11 HN TYR 11 -2.982 -5.706 1.810 100 HA TYR 11 HA TYR 11 -5.665 -6.078 2.855 101 HB2 TYR 11 HB2 TYR 11 -4.256 -3.684 1.680 102 HB3 TYR 11 HB1 TYR 11 -5.924 -3.664 2.240 103 HD1 TYR 11 HD1 TYR 11 -6.405 -4.064 4.669 104 HD2 TYR 11 HD2 TYR 11 -2.453 -3.515 3.197 105 HE1 TYR 11 HE1 TYR 11 -5.633 -3.566 6.944 106 HE2 TYR 11 HE2 TYR 11 -1.669 -3.021 5.474 107 HH TYR 11 HH TYR 11 -2.580 -2.217 7.601 108 H AIB 12 HN AIB 12 -5.104 -7.726 0.712 109 HB11 AIB 12 HB11 AIB 12 -6.676 -9.271 -2.104 110 HB12 AIB 12 HB12 AIB 12 -6.597 -9.483 -0.354 111 HB13 AIB 12 HB13 AIB 12 -5.118 -9.230 -1.281 112 HB21 AIB 12 HB21 AIB 12 -4.564 -7.012 -2.168 113 HB22 AIB 12 HB22 AIB 12 -5.784 -5.739 -2.155 114 HB23 AIB 12 HB23 AIB 12 -6.035 -7.195 -3.118 115 H GLY 13 HN GLY 13 -7.738 -6.251 -2.752 116 HA2 GLY 13 HA2 GLY 13 -10.100 -6.176 -2.959 117 HA3 GLY 13 HA1 GLY 13 -10.235 -6.636 -1.270 118 H CYS 14 HN CYS 14 -8.035 -4.556 -0.751 119 HA CYS 14 HA CYS 14 -9.851 -2.244 -0.641 120 HB2 CYS 14 HB2 CYS 14 -7.339 -2.766 0.958 121 HB3 CYS 14 HB1 CYS 14 -8.477 -1.446 1.202 122 H GLU 15 HN GLU 15 -8.880 -0.122 -0.964 123 HA GLU 15 HA GLU 15 -6.840 -0.203 -3.054 124 HB2 GLU 15 HB2 GLU 15 -8.577 2.093 -2.135 125 HB3 GLU 15 HB1 GLU 15 -7.474 2.127 -3.501 126 HG2 GLU 15 HG2 GLU 15 -8.831 0.293 -4.530 127 HG3 GLU 15 HG1 GLU 15 -9.989 0.508 -3.220 128 H VAL 16 HN VAL 16 -4.845 -0.108 -2.332 129 HA VAL 16 HA VAL 16 -4.242 1.515 0.032 130 HB VAL 16 HB VAL 16 -2.471 -0.484 -1.387 131 HG11 VAL 16 HG11 VAL 16 -1.088 -0.317 0.666 132 HG12 VAL 16 HG12 VAL 16 -2.124 1.000 1.217 133 HG13 VAL 16 HG13 VAL 16 -1.161 1.190 -0.249 134 HG21 VAL 16 HG21 VAL 16 -4.238 -1.716 -0.406 135 HG22 VAL 16 HG22 VAL 16 -4.203 -0.736 1.055 136 HG23 VAL 16 HG23 VAL 16 -2.875 -1.842 0.709 137 H ARG 17 HN ARG 17 -3.610 3.509 -0.356 138 HA ARG 17 HA ARG 17 -2.414 4.188 -2.920 139 HB2 ARG 17 HB2 ARG 17 -3.131 5.978 -0.598 140 HB3 ARG 17 HB1 ARG 17 -2.587 6.517 -2.176 141 HG2 ARG 17 HG2 ARG 17 -4.615 5.349 -3.129 142 HG3 ARG 17 HG1 ARG 17 -5.180 5.182 -1.467 143 HD2 ARG 17 HD2 ARG 17 -6.157 7.152 -2.485 144 HD3 ARG 17 HD1 ARG 17 -5.045 7.624 -1.198 145 HE ARG 17 HE ARG 17 -3.722 7.571 -3.712 146 HH11 ARG 17 HH11 ARG 17 -5.979 9.468 -1.831 147 HH12 ARG 17 HH12 ARG 17 -5.527 10.973 -2.570 148 HH21 ARG 17 HH21 ARG 17 -3.139 9.525 -4.705 149 HH22 ARG 17 HH22 ARG 17 -3.905 11.006 -4.218 150 H CYS 18 HN CYS 18 -0.323 4.447 -3.230 151 HA CYS 18 HA CYS 18 1.426 4.439 -0.875 152 HB2 CYS 18 HB2 CYS 18 1.925 3.375 -3.656 153 HB3 CYS 18 HB1 CYS 18 3.123 3.412 -2.370 154 H ASP 19 HN ASP 19 2.250 6.376 -0.507 155 HA ASP 19 HA ASP 19 3.404 7.834 -2.783 156 HB2 ASP 19 HB2 ASP 19 1.308 8.950 -1.996 157 HB3 ASP 19 HB1 ASP 19 2.052 9.137 -0.411 158 HA DPR 20 HA DPR 20 7.102 8.203 -0.388 159 HB2 DPR 20 HB2 DPR 20 8.308 7.340 -2.114 160 HB3 DPR 20 HB1 DPR 20 8.344 5.882 -1.116 161 HG2 DPR 20 HG2 DPR 20 7.329 5.839 -3.592 162 HG3 DPR 20 HG1 DPR 20 6.625 4.875 -2.281 163 HD2 DPR 20 HD2 DPR 20 5.643 7.416 -3.502 164 HD3 DPR 20 HD1 DPR 20 4.724 6.023 -2.891 165 HA PRO 21 HA PRO 21 6.947 5.257 3.007 166 HB2 PRO 21 HB2 PRO 21 7.315 7.016 4.977 167 HB3 PRO 21 HB1 PRO 21 8.637 6.583 3.888 168 HG2 PRO 21 HG2 PRO 21 6.906 9.018 3.887 169 HG3 PRO 21 HG1 PRO 21 8.649 8.882 3.597 170 HD2 PRO 21 HD2 PRO 21 6.720 9.071 1.614 171 HD3 PRO 21 HD1 PRO 21 8.351 8.417 1.385 172 H ARG 22 HN ARG 22 4.702 7.483 1.965 173 HA ARG 22 HA ARG 22 2.950 7.140 4.291 174 HB2 ARG 22 HB2 ARG 22 2.636 8.901 1.855 175 HB3 ARG 22 HB1 ARG 22 1.486 8.802 3.181 176 HG2 ARG 22 HG2 ARG 22 3.272 9.595 4.713 177 HG3 ARG 22 HG1 ARG 22 4.312 9.830 3.307 178 HD2 ARG 22 HD2 ARG 22 1.658 11.174 3.820 179 HD3 ARG 22 HD1 ARG 22 3.248 11.923 3.955 180 HE ARG 22 HE ARG 22 3.123 10.988 1.380 181 HH11 ARG 22 HH11 ARG 22 1.177 13.168 3.318 182 HH12 ARG 22 HH12 ARG 22 0.685 14.124 1.957 183 HH21 ARG 22 HH21 ARG 22 1.413 13.598 -0.148 184 HH22 ARG 22 HH22 ARG 22 2.468 12.233 -0.397 185 H TYR 23 HN TYR 23 1.188 5.886 4.235 186 HA TYR 23 HA TYR 23 0.319 4.806 1.656 187 HB2 TYR 23 HB2 TYR 23 0.743 3.086 4.104 188 HB3 TYR 23 HB1 TYR 23 0.218 2.551 2.512 189 HD1 TYR 23 HD1 TYR 23 3.006 3.123 4.644 190 HD2 TYR 23 HD2 TYR 23 1.847 2.876 0.562 191 HE1 TYR 23 HE1 TYR 23 5.338 2.704 4.009 192 HE2 TYR 23 HE2 TYR 23 4.180 2.467 -0.084 193 HH TYR 23 HH TYR 23 6.523 1.538 2.058 194 H GLU 24 HN GLU 24 -1.826 4.695 1.440 195 HA GLU 24 HA GLU 24 -3.449 5.172 3.858 196 HB2 GLU 24 HB2 GLU 24 -4.068 6.248 1.103 197 HB3 GLU 24 HB1 GLU 24 -4.924 6.600 2.593 198 HG2 GLU 24 HG2 GLU 24 -2.882 7.696 3.457 199 HG3 GLU 24 HG1 GLU 24 -2.120 7.432 1.890 200 H VAL 25 HN VAL 25 -4.345 3.247 4.235 201 HA VAL 25 HA VAL 25 -5.264 1.569 2.054 202 HB VAL 25 HB VAL 25 -5.396 1.143 5.045 203 HG11 VAL 25 HG11 VAL 25 -5.950 -0.779 2.786 204 HG12 VAL 25 HG12 VAL 25 -7.145 -0.102 3.891 205 HG13 VAL 25 HG13 VAL 25 -5.900 -1.194 4.498 206 HG21 VAL 25 HG21 VAL 25 -3.105 1.205 4.178 207 HG22 VAL 25 HG22 VAL 25 -3.523 -0.030 2.992 208 HG23 VAL 25 HG23 VAL 25 -3.549 -0.415 4.712 209 H HIS 26 HN HIS 26 -7.240 1.710 1.236 210 HA HIS 26 HA HIS 26 -9.413 2.659 2.988 211 HB2 HIS 26 HB2 HIS 26 -9.134 3.172 0.022 212 HB3 HIS 26 HB1 HIS 26 -10.466 3.701 1.036 213 HD1 HIS 26 HD1 HIS 26 -7.413 4.890 -0.385 214 HD2 HIS 26 HD2 HIS 26 -9.454 5.550 3.173 215 HE1 HIS 26 HE1 HIS 26 -6.489 7.039 0.538 216 HE2 HIS 26 HE2 HIS 26 -7.810 7.474 2.637 217 H CYS 27 HN CYS 27 -10.654 0.960 3.439 218 HA CYS 27 HA CYS 27 -11.064 -1.080 1.376 219 HB2 CYS 27 HB2 CYS 27 -11.587 -1.158 4.352 220 HB3 CYS 27 HB1 CYS 27 -11.931 -2.476 3.240 221 HN1 NH2 28 HN1 NH2 28 -12.567 0.060 0.167 222 HN2 NH2 28 HN2 NH2 28 -14.184 0.322 0.714 Start of MODEL 9 1 H1 ASN 1 HT1 ASN 1 12.115 -1.557 -2.694 2 H2 ASN 1 HT2 ASN 1 12.857 -1.189 -1.220 3 H3 ASN 1 HT3 ASN 1 11.450 -0.374 -1.688 4 HA ASN 1 HA ASN 1 11.636 -3.268 -1.099 5 HB2 ASN 1 HB2 ASN 1 10.292 -1.060 0.483 6 HB3 ASN 1 HB1 ASN 1 10.353 -2.762 0.917 7 HD21 ASN 1 HD21 ASN 1 11.222 -0.473 2.428 8 HD22 ASN 1 HD22 ASN 1 12.908 -0.693 2.735 9 H ASP 2 HN ASP 2 9.640 -4.383 -1.304 10 HA ASP 2 HA ASP 2 7.794 -3.122 -3.172 11 HB2 ASP 2 HB2 ASP 2 6.798 -5.418 -3.334 12 HB3 ASP 2 HB1 ASP 2 8.492 -5.337 -3.796 13 H LYS 3 HN LYS 3 7.595 -1.889 -0.820 14 HA LYS 3 HA LYS 3 5.955 -3.092 1.128 15 HB2 LYS 3 HB2 LYS 3 6.464 -0.170 0.569 16 HB3 LYS 3 HB1 LYS 3 5.691 -0.798 2.018 17 HG2 LYS 3 HG2 LYS 3 7.717 -1.989 2.613 18 HG3 LYS 3 HG1 LYS 3 8.494 -1.437 1.130 19 HD2 LYS 3 HD2 LYS 3 9.236 -0.069 2.967 20 HD3 LYS 3 HD1 LYS 3 8.213 0.898 1.904 21 HE2 LYS 3 HE2 LYS 3 6.337 0.625 3.409 22 HE3 LYS 3 HE1 LYS 3 7.287 -0.440 4.441 23 HZ1 LYS 3 HZ1 LYS 3 7.177 1.795 5.336 24 HZ2 LYS 3 HZ2 LYS 3 7.863 2.424 3.926 25 HZ3 LYS 3 HZ3 LYS 3 8.768 1.402 4.921 26 H CYS 4 HN CYS 4 5.221 -1.041 -1.643 27 HA CYS 4 HA CYS 4 2.513 -0.582 -1.106 28 HB2 CYS 4 HB2 CYS 4 4.009 -0.807 -3.720 29 HB3 CYS 4 HB1 CYS 4 2.328 -0.296 -3.609 30 H LYS 5 HN LYS 5 4.148 -3.246 -2.721 31 HA LYS 5 HA LYS 5 1.750 -4.575 -3.529 32 HB2 LYS 5 HB2 LYS 5 4.591 -5.585 -3.294 33 HB3 LYS 5 HB1 LYS 5 3.269 -6.473 -4.040 34 HG2 LYS 5 HG2 LYS 5 3.053 -4.740 -5.740 35 HG3 LYS 5 HG1 LYS 5 4.360 -3.828 -4.986 36 HD2 LYS 5 HD2 LYS 5 5.144 -5.109 -6.923 37 HD3 LYS 5 HD1 LYS 5 5.911 -5.650 -5.429 38 HE2 LYS 5 HE2 LYS 5 4.413 -7.546 -5.308 39 HE3 LYS 5 HE1 LYS 5 3.536 -6.980 -6.727 40 HZ1 LYS 5 HZ1 LYS 5 5.122 -8.753 -7.233 41 HZ2 LYS 5 HZ2 LYS 5 6.393 -7.775 -6.708 42 HZ3 LYS 5 HZ3 LYS 5 5.487 -7.326 -8.063 43 H GLU 6 HN GLU 6 4.048 -4.893 -0.900 44 HA GLU 6 HA GLU 6 3.060 -7.195 0.327 45 HB2 GLU 6 HB2 GLU 6 5.212 -6.062 0.840 46 HB3 GLU 6 HB1 GLU 6 4.322 -4.763 1.615 47 HG2 GLU 6 HG2 GLU 6 3.460 -6.377 3.263 48 HG3 GLU 6 HG1 GLU 6 4.441 -7.634 2.504 49 H LEU 7 HN LEU 7 2.220 -3.791 0.776 50 HA LEU 7 HA LEU 7 0.266 -4.283 2.794 51 HB2 LEU 7 HB2 LEU 7 0.719 -1.890 1.020 52 HB3 LEU 7 HB1 LEU 7 -0.350 -1.921 2.408 53 HG LEU 7 HG LEU 7 2.631 -2.380 2.556 54 HD11 LEU 7 HD11 LEU 7 2.767 -0.130 3.487 55 HD12 LEU 7 HD12 LEU 7 1.044 0.103 3.189 56 HD13 LEU 7 HD13 LEU 7 2.155 -0.102 1.832 57 HD21 LEU 7 HD21 LEU 7 1.359 -3.411 4.373 58 HD22 LEU 7 HD22 LEU 7 0.589 -1.861 4.710 59 HD23 LEU 7 HD23 LEU 7 2.324 -2.054 4.949 60 H LYS 8 HN LYS 8 0.206 -3.860 -0.697 61 HA LYS 8 HA LYS 8 -2.563 -3.752 -1.087 62 HB2 LYS 8 HB2 LYS 8 -0.957 -3.226 -2.846 63 HB3 LYS 8 HB1 LYS 8 -0.394 -4.888 -2.860 64 HG2 LYS 8 HG2 LYS 8 -1.794 -4.560 -4.753 65 HG3 LYS 8 HG1 LYS 8 -2.656 -5.585 -3.608 66 HD2 LYS 8 HD2 LYS 8 -4.030 -3.760 -2.903 67 HD3 LYS 8 HD1 LYS 8 -3.057 -2.607 -3.817 68 HE2 LYS 8 HE2 LYS 8 -5.144 -3.110 -4.974 69 HE3 LYS 8 HE1 LYS 8 -3.753 -3.664 -5.902 70 HZ1 LYS 8 HZ1 LYS 8 -5.522 -5.364 -4.226 71 HZ2 LYS 8 HZ2 LYS 8 -4.167 -5.912 -5.077 72 HZ3 LYS 8 HZ3 LYS 8 -5.502 -5.306 -5.915 73 H LYS 9 HN LYS 9 -0.377 -6.499 -0.747 74 HA LYS 9 HA LYS 9 -2.456 -8.425 -1.253 75 HB2 LYS 9 HB2 LYS 9 0.372 -8.739 -0.238 76 HB3 LYS 9 HB1 LYS 9 -0.704 -10.085 -0.591 77 HG2 LYS 9 HG2 LYS 9 -0.823 -9.398 -2.926 78 HG3 LYS 9 HG1 LYS 9 0.222 -8.019 -2.581 79 HD2 LYS 9 HD2 LYS 9 2.015 -9.546 -1.926 80 HD3 LYS 9 HD1 LYS 9 0.965 -10.924 -2.263 81 HE2 LYS 9 HE2 LYS 9 0.816 -10.213 -4.611 82 HE3 LYS 9 HE1 LYS 9 1.898 -8.865 -4.262 83 HZ1 LYS 9 HZ1 LYS 9 2.579 -11.743 -4.006 84 HZ2 LYS 9 HZ2 LYS 9 3.616 -10.456 -3.661 85 HZ3 LYS 9 HZ3 LYS 9 3.089 -10.713 -5.244 86 H ARG 10 HN ARG 10 -0.856 -7.077 1.579 87 HA ARG 10 HA ARG 10 -1.938 -8.825 3.503 88 HB2 ARG 10 HB2 ARG 10 -0.060 -7.279 3.935 89 HB3 ARG 10 HB1 ARG 10 -1.167 -5.923 3.820 90 HG2 ARG 10 HG2 ARG 10 -2.340 -6.630 5.788 91 HG3 ARG 10 HG1 ARG 10 -1.389 -8.118 5.866 92 HD2 ARG 10 HD2 ARG 10 -0.342 -5.300 6.162 93 HD3 ARG 10 HD1 ARG 10 -0.548 -6.476 7.461 94 HE ARG 10 HE ARG 10 1.085 -7.828 5.892 95 HH11 ARG 10 HH11 ARG 10 2.952 -4.356 6.642 96 HH12 ARG 10 HH12 ARG 10 1.234 -4.462 6.845 97 HH21 ARG 10 HH21 ARG 10 3.328 -7.694 5.632 98 HH22 ARG 10 HH22 ARG 10 4.149 -6.192 5.927 99 H TYR 11 HN TYR 11 -3.055 -5.656 2.351 100 HA TYR 11 HA TYR 11 -5.550 -5.963 3.812 101 HB2 TYR 11 HB2 TYR 11 -4.525 -3.743 2.035 102 HB3 TYR 11 HB1 TYR 11 -6.070 -3.716 2.876 103 HD1 TYR 11 HD1 TYR 11 -6.156 -3.526 5.318 104 HD2 TYR 11 HD2 TYR 11 -2.462 -3.358 3.218 105 HE1 TYR 11 HE1 TYR 11 -5.073 -2.577 7.309 106 HE2 TYR 11 HE2 TYR 11 -1.371 -2.413 5.202 107 HH TYR 11 HH TYR 11 -1.970 -1.177 7.225 108 H AIB 12 HN AIB 12 -6.189 -7.861 2.655 109 HB11 AIB 12 HB11 AIB 12 -6.744 -9.994 1.559 110 HB12 AIB 12 HB12 AIB 12 -8.127 -9.907 0.468 111 HB13 AIB 12 HB13 AIB 12 -8.253 -9.262 2.104 112 HB21 AIB 12 HB21 AIB 12 -5.399 -8.956 -0.123 113 HB22 AIB 12 HB22 AIB 12 -5.803 -7.374 -0.781 114 HB23 AIB 12 HB23 AIB 12 -6.770 -8.784 -1.218 115 H GLY 13 HN GLY 13 -7.579 -6.899 -1.479 116 HA2 GLY 13 HA2 GLY 13 -9.596 -6.238 -2.470 117 HA3 GLY 13 HA1 GLY 13 -10.388 -6.395 -0.912 118 H CYS 14 HN CYS 14 -7.737 -4.747 -0.129 119 HA CYS 14 HA CYS 14 -9.178 -2.216 -0.307 120 HB2 CYS 14 HB2 CYS 14 -6.669 -2.868 1.231 121 HB3 CYS 14 HB1 CYS 14 -7.635 -1.405 1.375 122 H GLU 15 HN GLU 15 -8.323 -0.381 -1.172 123 HA GLU 15 HA GLU 15 -6.172 -0.764 -3.099 124 HB2 GLU 15 HB2 GLU 15 -8.058 1.570 -2.708 125 HB3 GLU 15 HB1 GLU 15 -6.913 1.381 -4.030 126 HG2 GLU 15 HG2 GLU 15 -8.115 -0.544 -4.848 127 HG3 GLU 15 HG1 GLU 15 -9.215 -0.477 -3.472 128 H VAL 16 HN VAL 16 -4.264 -0.531 -2.171 129 HA VAL 16 HA VAL 16 -3.874 1.454 -0.076 130 HB VAL 16 HB VAL 16 -1.961 -0.623 -1.159 131 HG11 VAL 16 HG11 VAL 16 -1.770 1.100 1.308 132 HG12 VAL 16 HG12 VAL 16 -0.831 1.314 -0.171 133 HG13 VAL 16 HG13 VAL 16 -0.616 -0.138 0.808 134 HG21 VAL 16 HG21 VAL 16 -3.893 -1.630 -0.057 135 HG22 VAL 16 HG22 VAL 16 -3.623 -0.617 1.357 136 HG23 VAL 16 HG23 VAL 16 -2.438 -1.842 0.913 137 H ARG 17 HN ARG 17 -3.131 3.406 -0.532 138 HA ARG 17 HA ARG 17 -1.954 3.877 -3.173 139 HB2 ARG 17 HB2 ARG 17 -3.939 5.227 -2.278 140 HB3 ARG 17 HB1 ARG 17 -2.785 5.984 -1.189 141 HG2 ARG 17 HG2 ARG 17 -1.466 6.697 -3.162 142 HG3 ARG 17 HG1 ARG 17 -2.738 6.048 -4.197 143 HD2 ARG 17 HD2 ARG 17 -3.234 8.323 -4.040 144 HD3 ARG 17 HD1 ARG 17 -4.323 7.561 -2.885 145 HE ARG 17 HE ARG 17 -1.779 8.699 -1.953 146 HH11 ARG 17 HH11 ARG 17 -5.280 8.704 -1.939 147 HH12 ARG 17 HH12 ARG 17 -5.398 9.847 -0.641 148 HH21 ARG 17 HH21 ARG 17 -1.928 10.216 -0.251 149 HH22 ARG 17 HH22 ARG 17 -3.498 10.704 0.318 150 H CYS 18 HN CYS 18 0.137 4.259 -3.397 151 HA CYS 18 HA CYS 18 1.864 4.363 -1.103 152 HB2 CYS 18 HB2 CYS 18 2.647 4.802 -3.985 153 HB3 CYS 18 HB1 CYS 18 3.654 4.214 -2.668 154 H ASP 19 HN ASP 19 2.207 6.207 -0.030 155 HA ASP 19 HA ASP 19 2.171 8.738 -1.543 156 HB2 ASP 19 HB2 ASP 19 0.156 8.223 -0.000 157 HB3 ASP 19 HB1 ASP 19 1.281 8.493 1.324 158 HA DPR 20 HA DPR 20 6.165 9.584 0.291 159 HB2 DPR 20 HB2 DPR 20 7.722 9.188 -1.313 160 HB3 DPR 20 HB1 DPR 20 7.308 7.475 -1.427 161 HG2 DPR 20 HG2 DPR 20 6.045 9.829 -2.758 162 HG3 DPR 20 HG1 DPR 20 6.380 8.218 -3.414 163 HD2 DPR 20 HD2 DPR 20 3.915 8.947 -2.628 164 HD3 DPR 20 HD1 DPR 20 4.506 7.286 -2.428 165 HA PRO 21 HA PRO 21 7.530 6.071 2.792 166 HB2 PRO 21 HB2 PRO 21 7.764 7.423 5.099 167 HB3 PRO 21 HB1 PRO 21 8.955 7.594 3.804 168 HG2 PRO 21 HG2 PRO 21 6.688 9.402 4.542 169 HG3 PRO 21 HG1 PRO 21 8.348 9.820 4.085 170 HD2 PRO 21 HD2 PRO 21 6.211 9.920 2.366 171 HD3 PRO 21 HD1 PRO 21 7.889 9.677 1.845 172 H ARG 22 HN ARG 22 4.667 7.760 2.677 173 HA ARG 22 HA ARG 22 3.490 6.217 4.888 174 HB2 ARG 22 HB2 ARG 22 2.623 8.829 3.649 175 HB3 ARG 22 HB1 ARG 22 1.655 7.926 4.804 176 HG2 ARG 22 HG2 ARG 22 3.365 8.183 6.495 177 HG3 ARG 22 HG1 ARG 22 4.419 8.991 5.335 178 HD2 ARG 22 HD2 ARG 22 3.348 10.611 6.787 179 HD3 ARG 22 HD1 ARG 22 2.796 10.807 5.128 180 HE ARG 22 HE ARG 22 0.789 9.426 5.949 181 HH11 ARG 22 HH11 ARG 22 2.595 11.640 7.963 182 HH12 ARG 22 HH12 ARG 22 1.223 12.089 8.924 183 HH21 ARG 22 HH21 ARG 22 -0.831 11.170 8.499 184 HH22 ARG 22 HH22 ARG 22 -1.032 10.037 7.198 185 H TYR 23 HN TYR 23 1.315 5.401 4.514 186 HA TYR 23 HA TYR 23 0.645 5.033 1.691 187 HB2 TYR 23 HB2 TYR 23 0.894 2.757 3.666 188 HB3 TYR 23 HB1 TYR 23 0.331 2.625 2.006 189 HD1 TYR 23 HD1 TYR 23 3.257 3.183 4.150 190 HD2 TYR 23 HD2 TYR 23 1.878 2.649 0.164 191 HE1 TYR 23 HE1 TYR 23 5.570 2.834 3.407 192 HE2 TYR 23 HE2 TYR 23 4.187 2.294 -0.591 193 HH TYR 23 HH TYR 23 6.448 2.786 0.094 194 H GLU 24 HN GLU 24 -1.475 5.048 1.282 195 HA GLU 24 HA GLU 24 -3.231 5.392 3.620 196 HB2 GLU 24 HB2 GLU 24 -3.586 6.380 0.783 197 HB3 GLU 24 HB1 GLU 24 -4.732 6.627 2.094 198 HG2 GLU 24 HG2 GLU 24 -1.913 7.679 1.995 199 HG3 GLU 24 HG1 GLU 24 -3.378 8.609 1.686 200 H VAL 25 HN VAL 25 -4.551 3.774 4.048 201 HA VAL 25 HA VAL 25 -4.986 1.740 2.003 202 HB VAL 25 HB VAL 25 -5.639 1.695 4.956 203 HG11 VAL 25 HG11 VAL 25 -5.707 -0.524 2.915 204 HG12 VAL 25 HG12 VAL 25 -7.109 0.234 3.667 205 HG13 VAL 25 HG13 VAL 25 -5.983 -0.706 4.647 206 HG21 VAL 25 HG21 VAL 25 -3.381 0.416 3.415 207 HG22 VAL 25 HG22 VAL 25 -3.729 0.155 5.124 208 HG23 VAL 25 HG23 VAL 25 -3.241 1.753 4.557 209 H HIS 26 HN HIS 26 -6.726 1.910 0.768 210 HA HIS 26 HA HIS 26 -9.165 3.066 1.946 211 HB2 HIS 26 HB2 HIS 26 -8.100 3.145 -0.868 212 HB3 HIS 26 HB1 HIS 26 -9.779 3.507 -0.501 213 HD1 HIS 26 HD1 HIS 26 -10.253 5.892 -0.043 214 HD2 HIS 26 HD2 HIS 26 -6.269 4.944 0.637 215 HE1 HIS 26 HE1 HIS 26 -9.131 8.065 0.529 216 HE2 HIS 26 HE2 HIS 26 -6.780 7.426 1.154 217 H CYS 27 HN CYS 27 -10.106 1.205 2.705 218 HA CYS 27 HA CYS 27 -10.395 -1.079 0.936 219 HB2 CYS 27 HB2 CYS 27 -11.398 -0.661 3.756 220 HB3 CYS 27 HB1 CYS 27 -11.441 -2.174 2.863 221 HN1 NH2 28 HN1 NH2 28 -12.587 0.934 2.860 222 HN2 NH2 28 HN2 NH2 28 -13.939 0.790 1.792 Start of MODEL 10 1 H1 ASN 1 HT1 ASN 1 12.282 0.002 -0.347 2 H2 ASN 1 HT2 ASN 1 12.997 -0.267 1.159 3 H3 ASN 1 HT3 ASN 1 11.424 0.349 1.064 4 HA ASN 1 HA ASN 1 12.274 -2.332 0.149 5 HB2 ASN 1 HB2 ASN 1 10.696 -1.450 2.587 6 HB3 ASN 1 HB1 ASN 1 10.836 -3.122 2.057 7 HD21 ASN 1 HD21 ASN 1 11.649 -1.999 4.573 8 HD22 ASN 1 HD22 ASN 1 13.358 -2.254 4.705 9 H ASP 2 HN ASP 2 10.313 -3.713 -0.277 10 HA ASP 2 HA ASP 2 8.448 -2.172 -1.878 11 HB2 ASP 2 HB2 ASP 2 7.609 -4.481 -2.563 12 HB3 ASP 2 HB1 ASP 2 9.256 -4.075 -3.021 13 H LYS 3 HN LYS 3 8.038 -1.528 0.661 14 HA LYS 3 HA LYS 3 6.204 -3.041 2.139 15 HB2 LYS 3 HB2 LYS 3 7.402 -1.204 3.157 16 HB3 LYS 3 HB1 LYS 3 6.679 -0.056 2.041 17 HG2 LYS 3 HG2 LYS 3 5.598 0.169 4.149 18 HG3 LYS 3 HG1 LYS 3 4.463 -0.576 3.025 19 HD2 LYS 3 HD2 LYS 3 4.247 -1.754 5.064 20 HD3 LYS 3 HD1 LYS 3 5.166 -2.806 3.986 21 HE2 LYS 3 HE2 LYS 3 7.247 -2.067 5.056 22 HE3 LYS 3 HE1 LYS 3 6.316 -1.028 6.133 23 HZ1 LYS 3 HZ1 LYS 3 6.203 -3.991 6.006 24 HZ2 LYS 3 HZ2 LYS 3 5.188 -3.036 6.961 25 HZ3 LYS 3 HZ3 LYS 3 6.852 -3.055 7.255 26 H CYS 4 HN CYS 4 5.773 -0.658 -0.401 27 HA CYS 4 HA CYS 4 3.017 -0.339 -0.344 28 HB2 CYS 4 HB2 CYS 4 4.480 0.993 -1.790 29 HB3 CYS 4 HB1 CYS 4 4.860 -0.435 -2.743 30 H LYS 5 HN LYS 5 4.970 -2.791 -1.982 31 HA LYS 5 HA LYS 5 2.791 -4.103 -3.223 32 HB2 LYS 5 HB2 LYS 5 5.541 -5.160 -2.549 33 HB3 LYS 5 HB1 LYS 5 4.404 -5.912 -3.658 34 HG2 LYS 5 HG2 LYS 5 5.618 -3.181 -4.022 35 HG3 LYS 5 HG1 LYS 5 6.188 -4.657 -4.796 36 HD2 LYS 5 HD2 LYS 5 3.960 -4.907 -5.858 37 HD3 LYS 5 HD1 LYS 5 3.486 -3.362 -5.150 38 HE2 LYS 5 HE2 LYS 5 5.307 -2.257 -6.359 39 HE3 LYS 5 HE1 LYS 5 5.760 -3.800 -7.080 40 HZ1 LYS 5 HZ1 LYS 5 4.426 -2.519 -8.602 41 HZ2 LYS 5 HZ2 LYS 5 3.186 -2.377 -7.464 42 HZ3 LYS 5 HZ3 LYS 5 3.561 -3.890 -8.116 43 H GLU 6 HN GLU 6 4.547 -4.590 -0.210 44 HA GLU 6 HA GLU 6 3.311 -6.982 0.586 45 HB2 GLU 6 HB2 GLU 6 4.576 -4.729 2.128 46 HB3 GLU 6 HB1 GLU 6 3.898 -6.136 2.935 47 HG2 GLU 6 HG2 GLU 6 6.102 -6.179 0.884 48 HG3 GLU 6 HG1 GLU 6 6.308 -6.341 2.626 49 H LEU 7 HN LEU 7 2.374 -3.611 1.080 50 HA LEU 7 HA LEU 7 0.126 -4.231 2.722 51 HB2 LEU 7 HB2 LEU 7 0.768 -1.756 1.128 52 HB3 LEU 7 HB1 LEU 7 -0.512 -1.880 2.316 53 HG LEU 7 HG LEU 7 2.444 -2.144 2.887 54 HD11 LEU 7 HD11 LEU 7 0.499 0.071 3.520 55 HD12 LEU 7 HD12 LEU 7 1.815 0.139 2.347 56 HD13 LEU 7 HD13 LEU 7 2.173 -0.016 4.067 57 HD21 LEU 7 HD21 LEU 7 0.079 -2.145 4.757 58 HD22 LEU 7 HD22 LEU 7 1.770 -2.105 5.248 59 HD23 LEU 7 HD23 LEU 7 1.130 -3.515 4.405 60 H LYS 8 HN LYS 8 0.629 -3.674 -0.708 61 HA LYS 8 HA LYS 8 -2.058 -3.756 -1.540 62 HB2 LYS 8 HB2 LYS 8 0.498 -4.539 -2.939 63 HB3 LYS 8 HB1 LYS 8 -1.065 -4.604 -3.732 64 HG2 LYS 8 HG2 LYS 8 -0.066 -2.075 -2.477 65 HG3 LYS 8 HG1 LYS 8 0.413 -2.548 -4.107 66 HD2 LYS 8 HD2 LYS 8 -2.044 -2.736 -4.643 67 HD3 LYS 8 HD1 LYS 8 -2.362 -1.976 -3.085 68 HE2 LYS 8 HE2 LYS 8 -1.082 -0.021 -3.751 69 HE3 LYS 8 HE1 LYS 8 -0.683 -0.785 -5.287 70 HZ1 LYS 8 HZ1 LYS 8 -3.102 -0.838 -5.765 71 HZ2 LYS 8 HZ2 LYS 8 -2.466 0.720 -5.644 72 HZ3 LYS 8 HZ3 LYS 8 -3.365 0.079 -4.370 73 H LYS 9 HN LYS 9 0.295 -6.300 -0.900 74 HA LYS 9 HA LYS 9 -1.336 -8.450 -1.772 75 HB2 LYS 9 HB2 LYS 9 0.968 -8.399 0.187 76 HB3 LYS 9 HB1 LYS 9 0.222 -9.867 -0.429 77 HG2 LYS 9 HG2 LYS 9 0.933 -9.337 -2.672 78 HG3 LYS 9 HG1 LYS 9 1.576 -7.784 -2.131 79 HD2 LYS 9 HD2 LYS 9 3.136 -9.004 -0.643 80 HD3 LYS 9 HD1 LYS 9 2.540 -10.523 -1.317 81 HE2 LYS 9 HE2 LYS 9 3.849 -8.305 -2.886 82 HE3 LYS 9 HE1 LYS 9 4.644 -9.787 -2.361 83 HZ1 LYS 9 HZ1 LYS 9 3.925 -9.919 -4.662 84 HZ2 LYS 9 HZ2 LYS 9 2.322 -9.645 -4.206 85 HZ3 LYS 9 HZ3 LYS 9 3.109 -11.056 -3.715 86 H ARG 10 HN ARG 10 -0.730 -6.996 1.389 87 HA ARG 10 HA ARG 10 -2.224 -8.815 2.916 88 HB2 ARG 10 HB2 ARG 10 -0.576 -7.203 3.840 89 HB3 ARG 10 HB1 ARG 10 -1.708 -5.899 3.517 90 HG2 ARG 10 HG2 ARG 10 -3.329 -6.966 5.040 91 HG3 ARG 10 HG1 ARG 10 -2.121 -8.200 5.415 92 HD2 ARG 10 HD2 ARG 10 -1.910 -5.235 5.935 93 HD3 ARG 10 HD1 ARG 10 -2.120 -6.504 7.140 94 HE ARG 10 HE ARG 10 0.225 -6.990 5.634 95 HH11 ARG 10 HH11 ARG 10 0.530 -4.528 8.795 96 HH12 ARG 10 HH12 ARG 10 -1.033 -4.889 8.138 97 HH21 ARG 10 HH21 ARG 10 2.273 -6.530 6.507 98 HH22 ARG 10 HH22 ARG 10 2.415 -5.466 7.870 99 H TYR 11 HN TYR 11 -3.142 -5.596 1.687 100 HA TYR 11 HA TYR 11 -5.868 -6.060 2.622 101 HB2 TYR 11 HB2 TYR 11 -4.600 -3.598 1.423 102 HB3 TYR 11 HB1 TYR 11 -6.226 -3.699 2.082 103 HD1 TYR 11 HD1 TYR 11 -6.523 -4.156 4.538 104 HD2 TYR 11 HD2 TYR 11 -2.748 -3.210 2.822 105 HE1 TYR 11 HE1 TYR 11 -5.657 -3.596 6.763 106 HE2 TYR 11 HE2 TYR 11 -1.873 -2.648 5.048 107 HH TYR 11 HH TYR 11 -3.493 -3.469 7.915 108 H AIB 12 HN AIB 12 -5.751 -7.804 0.823 109 HB11 AIB 12 HB11 AIB 12 -7.246 -9.418 -0.420 110 HB12 AIB 12 HB12 AIB 12 -5.598 -9.462 -1.045 111 HB13 AIB 12 HB13 AIB 12 -6.961 -9.364 -2.158 112 HB21 AIB 12 HB21 AIB 12 -5.565 -6.010 -2.265 113 HB22 AIB 12 HB22 AIB 12 -5.978 -7.448 -3.196 114 HB23 AIB 12 HB23 AIB 12 -4.614 -7.483 -2.079 115 H GLY 13 HN GLY 13 -8.237 -6.828 0.603 116 HA2 GLY 13 HA2 GLY 13 -10.346 -6.343 -1.386 117 HA3 GLY 13 HA1 GLY 13 -10.612 -6.682 0.316 118 H CYS 14 HN CYS 14 -8.119 -4.438 -0.558 119 HA CYS 14 HA CYS 14 -9.934 -2.172 -0.121 120 HB2 CYS 14 HB2 CYS 14 -7.244 -2.384 1.217 121 HB3 CYS 14 HB1 CYS 14 -8.463 -1.146 1.468 122 H GLU 15 HN GLU 15 -8.867 -0.092 -0.671 123 HA GLU 15 HA GLU 15 -7.032 -0.413 -2.929 124 HB2 GLU 15 HB2 GLU 15 -8.774 1.908 -2.089 125 HB3 GLU 15 HB1 GLU 15 -7.663 1.945 -3.452 126 HG2 GLU 15 HG2 GLU 15 -10.043 0.129 -3.146 127 HG3 GLU 15 HG1 GLU 15 -9.931 1.542 -4.194 128 H VAL 16 HN VAL 16 -4.981 -0.306 -2.313 129 HA VAL 16 HA VAL 16 -4.223 1.396 -0.058 130 HB VAL 16 HB VAL 16 -2.549 -0.604 -1.584 131 HG11 VAL 16 HG11 VAL 16 -1.222 1.121 -0.499 132 HG12 VAL 16 HG12 VAL 16 -1.009 -0.433 0.307 133 HG13 VAL 16 HG13 VAL 16 -2.037 0.802 1.032 134 HG21 VAL 16 HG21 VAL 16 -4.368 -1.737 -0.444 135 HG22 VAL 16 HG22 VAL 16 -3.975 -0.903 1.056 136 HG23 VAL 16 HG23 VAL 16 -2.840 -2.065 0.373 137 H ARG 17 HN ARG 17 -3.595 3.415 -0.517 138 HA ARG 17 HA ARG 17 -2.307 3.952 -3.091 139 HB2 ARG 17 HB2 ARG 17 -4.101 5.483 -2.443 140 HB3 ARG 17 HB1 ARG 17 -3.257 5.860 -0.953 141 HG2 ARG 17 HG2 ARG 17 -2.924 7.642 -2.526 142 HG3 ARG 17 HG1 ARG 17 -1.397 6.795 -2.272 143 HD2 ARG 17 HD2 ARG 17 -1.898 5.478 -4.352 144 HD3 ARG 17 HD1 ARG 17 -3.259 6.562 -4.628 145 HE ARG 17 HE ARG 17 -0.828 7.998 -4.244 146 HH11 ARG 17 HH11 ARG 17 -2.671 6.190 -6.606 147 HH12 ARG 17 HH12 ARG 17 -1.912 6.953 -7.965 148 HH21 ARG 17 HH21 ARG 17 0.173 8.998 -6.032 149 HH22 ARG 17 HH22 ARG 17 -0.301 8.549 -7.639 150 H CYS 18 HN CYS 18 -0.192 4.206 -3.269 151 HA CYS 18 HA CYS 18 1.384 4.340 -0.804 152 HB2 CYS 18 HB2 CYS 18 2.222 3.443 -3.567 153 HB3 CYS 18 HB1 CYS 18 3.196 3.354 -2.103 154 H ASP 19 HN ASP 19 2.436 6.165 -0.359 155 HA ASP 19 HA ASP 19 3.409 7.820 -2.573 156 HB2 ASP 19 HB2 ASP 19 1.266 8.802 -1.732 157 HB3 ASP 19 HB1 ASP 19 2.008 8.957 -0.144 158 HA DPR 20 HA DPR 20 7.127 8.296 -0.267 159 HB2 DPR 20 HB2 DPR 20 8.354 7.345 -1.921 160 HB3 DPR 20 HB1 DPR 20 8.390 5.934 -0.861 161 HG2 DPR 20 HG2 DPR 20 7.377 5.792 -3.338 162 HG3 DPR 20 HG1 DPR 20 6.688 4.869 -1.993 163 HD2 DPR 20 HD2 DPR 20 5.676 7.361 -3.292 164 HD3 DPR 20 HD1 DPR 20 4.773 5.974 -2.648 165 HA PRO 21 HA PRO 21 7.092 5.642 3.344 166 HB2 PRO 21 HB2 PRO 21 7.298 7.567 5.171 167 HB3 PRO 21 HB1 PRO 21 8.657 7.180 4.108 168 HG2 PRO 21 HG2 PRO 21 6.701 9.435 3.936 169 HG3 PRO 21 HG1 PRO 21 8.450 9.447 3.652 170 HD2 PRO 21 HD2 PRO 21 6.514 9.300 1.670 171 HD3 PRO 21 HD1 PRO 21 8.205 8.800 1.481 172 H ARG 22 HN ARG 22 4.663 7.567 2.136 173 HA ARG 22 HA ARG 22 2.930 7.145 4.481 174 HB2 ARG 22 HB2 ARG 22 2.647 9.025 2.138 175 HB3 ARG 22 HB1 ARG 22 1.399 8.773 3.349 176 HG2 ARG 22 HG2 ARG 22 2.928 9.598 5.081 177 HG3 ARG 22 HG1 ARG 22 4.157 9.878 3.843 178 HD2 ARG 22 HD2 ARG 22 2.720 11.462 2.724 179 HD3 ARG 22 HD1 ARG 22 1.414 11.125 3.858 180 HE ARG 22 HE ARG 22 3.420 11.958 5.469 181 HH11 ARG 22 HH11 ARG 22 1.971 13.271 2.571 182 HH12 ARG 22 HH12 ARG 22 2.226 14.924 3.034 183 HH21 ARG 22 HH21 ARG 22 3.226 15.420 5.039 184 HH22 ARG 22 HH22 ARG 22 3.738 14.145 6.098 185 H TYR 23 HN TYR 23 1.023 6.044 4.291 186 HA TYR 23 HA TYR 23 0.305 4.968 1.669 187 HB2 TYR 23 HB2 TYR 23 0.541 3.242 4.138 188 HB3 TYR 23 HB1 TYR 23 0.060 2.718 2.530 189 HD1 TYR 23 HD1 TYR 23 2.841 3.516 4.716 190 HD2 TYR 23 HD2 TYR 23 1.724 2.634 0.709 191 HE1 TYR 23 HE1 TYR 23 5.184 3.035 4.175 192 HE2 TYR 23 HE2 TYR 23 4.069 2.154 0.159 193 HH TYR 23 HH TYR 23 6.291 2.650 0.959 194 H GLU 24 HN GLU 24 -1.843 4.771 1.347 195 HA GLU 24 HA GLU 24 -3.589 5.392 3.640 196 HB2 GLU 24 HB2 GLU 24 -3.990 6.283 0.778 197 HB3 GLU 24 HB1 GLU 24 -5.040 6.656 2.136 198 HG2 GLU 24 HG2 GLU 24 -3.260 7.949 3.174 199 HG3 GLU 24 HG1 GLU 24 -2.183 7.553 1.836 200 H VAL 25 HN VAL 25 -4.374 3.414 4.088 201 HA VAL 25 HA VAL 25 -5.255 1.657 1.953 202 HB VAL 25 HB VAL 25 -5.351 1.292 4.952 203 HG11 VAL 25 HG11 VAL 25 -5.789 -1.070 4.454 204 HG12 VAL 25 HG12 VAL 25 -5.873 -0.683 2.736 205 HG13 VAL 25 HG13 VAL 25 -7.071 -0.021 3.847 206 HG21 VAL 25 HG21 VAL 25 -3.069 1.395 4.086 207 HG22 VAL 25 HG22 VAL 25 -3.458 0.159 2.893 208 HG23 VAL 25 HG23 VAL 25 -3.466 -0.241 4.609 209 H HIS 26 HN HIS 26 -7.176 1.990 1.072 210 HA HIS 26 HA HIS 26 -9.345 3.019 2.773 211 HB2 HIS 26 HB2 HIS 26 -8.971 3.191 -0.220 212 HB3 HIS 26 HB1 HIS 26 -10.418 3.719 0.620 213 HD1 HIS 26 HD1 HIS 26 -7.611 5.137 -0.863 214 HD2 HIS 26 HD2 HIS 26 -9.433 5.676 2.834 215 HE1 HIS 26 HE1 HIS 26 -6.834 7.381 -0.041 216 HE2 HIS 26 HE2 HIS 26 -7.834 7.621 2.254 217 H CYS 27 HN CYS 27 -10.343 1.261 3.553 218 HA CYS 27 HA CYS 27 -10.991 -0.932 1.738 219 HB2 CYS 27 HB2 CYS 27 -11.355 -0.716 4.733 220 HB3 CYS 27 HB1 CYS 27 -11.626 -2.157 3.763 221 HN1 NH2 28 HN1 NH2 28 -12.678 0.815 4.322 222 HN2 NH2 28 HN2 NH2 28 -14.212 0.868 3.522
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