NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2957 | 1cxr | 4509 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 1 H THR 1 -5.033 7.529 -4.265 2 HA THR 1 HA THR 1 -2.814 6.942 -5.249 3 HB THR 1 HB THR 1 -2.920 7.271 -2.206 4 HG1 THR 1 1HG THR 1 -3.284 9.490 -2.809 5 1HG2 THR 1 1HG2 THR 1 -0.995 8.348 -4.333 6 2HG2 THR 1 2HG2 THR 1 -0.920 8.692 -2.588 7 3HG2 THR 1 3HG2 THR 1 -0.610 7.044 -3.185 8 H THR 2 H THR 2 -4.350 4.662 -3.061 9 HA THR 2 HA THR 2 -2.309 2.716 -3.827 10 HB THR 2 HB THR 2 -3.259 3.166 -0.949 11 HG1 THR 2 1HG THR 2 -0.836 3.771 -2.492 12 1HG2 THR 2 1HG2 THR 2 -1.272 1.715 -0.435 13 2HG2 THR 2 2HG2 THR 2 -2.493 0.838 -1.388 14 3HG2 THR 2 3HG2 THR 2 -1.027 1.463 -2.180 15 H CYS 3 H CYS 3 -3.375 1.210 -4.938 16 HA CYS 3 HA CYS 3 -6.128 0.683 -4.143 17 1HB CYS 3 1HB CYS 3 -4.672 -0.224 -6.634 18 2HB CYS 3 2HB CYS 3 -6.384 -0.390 -6.298 19 H CYS 4 H CYS 4 -6.586 -1.175 -2.999 20 HA CYS 4 HA CYS 4 -4.729 -3.401 -3.261 21 1HB CYS 4 1HB CYS 4 -4.868 -1.712 -0.966 22 2HB CYS 4 2HB CYS 4 -5.554 -3.265 -0.532 23 HA PRO 5 HA PRO 5 -8.473 -5.625 -3.159 24 1HB PRO 5 1HB PRO 5 -7.776 -8.022 -2.046 25 2HB PRO 5 2HB PRO 5 -7.443 -7.608 -3.716 26 1HG PRO 5 1HG PRO 5 -5.577 -7.719 -1.426 27 2HG PRO 5 2HG PRO 5 -5.213 -7.729 -3.140 28 1HD PRO 5 1HD PRO 5 -4.939 -5.513 -1.340 29 2HD PRO 5 2HD PRO 5 -4.686 -5.492 -3.074 30 H SER 6 H SER 6 -6.835 -5.325 -0.121 31 HA SER 6 HA SER 6 -9.409 -4.918 1.076 32 1HB SER 6 1HB SER 6 -9.084 -6.537 2.880 33 2HB SER 6 2HB SER 6 -9.030 -7.368 1.338 34 HG SER 6 HG SER 6 -6.775 -7.543 1.474 35 H ILE 7 H ILE 7 -9.067 -4.182 3.484 36 HA ILE 7 HA ILE 7 -6.962 -2.235 3.434 37 HB ILE 7 HB ILE 7 -9.313 -1.850 4.223 38 1HG1 ILE 7 1HG1 ILE 7 -7.055 -0.578 4.852 39 2HG1 ILE 7 2HG1 ILE 7 -8.618 -0.099 5.482 40 1HG2 ILE 7 1HG2 ILE 7 -9.807 -2.454 6.585 41 2HG2 ILE 7 2HG2 ILE 7 -9.710 -3.854 5.490 42 3HG2 ILE 7 3HG2 ILE 7 -8.356 -3.486 6.586 43 1HD1 ILE 7 1HD1 ILE 7 -8.240 -1.269 7.572 44 2HD1 ILE 7 2HD1 ILE 7 -6.785 -2.063 6.925 45 3HD1 ILE 7 3HD1 ILE 7 -6.780 -0.309 7.231 46 H VAL 8 H VAL 8 -7.541 -5.445 4.774 47 HA VAL 8 HA VAL 8 -5.676 -5.308 6.870 48 HB VAL 8 HB VAL 8 -6.819 -7.586 5.249 49 1HG1 VAL 8 1HG1 VAL 8 -6.035 -9.028 7.172 50 2HG1 VAL 8 2HG1 VAL 8 -4.748 -8.413 6.108 51 3HG1 VAL 8 3HG1 VAL 8 -5.028 -7.657 7.695 52 1HG2 VAL 8 1HG2 VAL 8 -7.458 -6.522 8.021 53 2HG2 VAL 8 2HG2 VAL 8 -8.467 -6.362 6.564 54 3HG2 VAL 8 3HG2 VAL 8 -8.183 -7.967 7.278 55 H ALA 9 H ALA 9 -5.409 -5.708 3.363 56 HA ALA 9 HA ALA 9 -2.817 -6.843 3.383 57 1HB ALA 9 1HB ALA 9 -4.369 -7.036 1.486 58 2HB ALA 9 2HB ALA 9 -4.333 -5.271 1.260 59 3HB ALA 9 3HB ALA 9 -2.862 -6.235 0.980 60 H ARG 10 H ARG 10 -4.099 -3.656 3.990 61 HA ARG 10 HA ARG 10 -1.612 -2.404 3.298 62 1HB ARG 10 1HB ARG 10 -4.063 -1.178 4.655 63 2HB ARG 10 2HB ARG 10 -2.757 -0.300 3.885 64 1HG ARG 10 1HG ARG 10 -3.391 -1.634 1.724 65 2HG ARG 10 2HG ARG 10 -4.875 -2.036 2.564 66 1HD ARG 10 1HD ARG 10 -5.091 0.545 2.996 67 2HD ARG 10 2HD ARG 10 -3.872 0.717 1.749 68 HE ARG 10 HE ARG 10 -6.244 -0.949 1.091 69 1HH1 ARG 10 2HH2 ARG 10 -5.012 2.330 1.051 70 2HH1 ARG 10 1HH2 ARG 10 -5.503 2.645 -0.580 71 1HH2 ARG 10 2HH1 ARG 10 -7.198 -0.429 -0.937 72 2HH2 ARG 10 1HH1 ARG 10 -6.845 1.091 -1.688 73 H SER 11 H SER 11 -2.334 -4.407 5.698 74 HA SER 11 HA SER 11 -1.925 -2.900 8.014 75 1HB SER 11 1HB SER 11 -2.976 -5.139 8.017 76 2HB SER 11 2HB SER 11 -1.481 -5.868 7.465 77 HG SER 11 HG SER 11 -0.471 -5.344 9.443 78 H ASN 12 H ASN 12 0.195 -4.176 5.519 79 HA ASN 12 HA ASN 12 2.506 -4.254 7.143 80 1HB ASN 12 1HB ASN 12 2.320 -4.031 4.094 81 2HB ASN 12 2HB ASN 12 3.702 -4.607 5.006 82 1HD2 ASN 12 2HD2 ASN 12 0.594 -5.323 3.715 83 2HD2 ASN 12 1HD2 ASN 12 0.501 -7.001 4.134 84 H PHE 13 H PHE 13 0.630 -1.813 5.495 85 HA PHE 13 HA PHE 13 2.803 -0.005 5.042 86 1HB PHE 13 1HB PHE 13 0.433 -0.309 3.872 87 2HB PHE 13 2HB PHE 13 -0.197 0.591 5.237 88 HD1 PHE 13 1HD PHE 13 1.966 0.781 2.269 89 HD2 PHE 13 2HD PHE 13 0.151 2.957 5.429 90 HE1 PHE 13 1HE PHE 13 2.522 2.935 1.106 91 HE2 PHE 13 2HE PHE 13 0.707 5.110 4.265 92 HZ PHE 13 HZ PHE 13 1.886 5.073 2.118 93 H ASN 14 H ASN 14 1.259 -1.080 7.833 94 HA ASN 14 HA ASN 14 0.818 1.359 9.127 95 1HB ASN 14 1HB ASN 14 1.335 -1.470 10.176 96 2HB ASN 14 2HB ASN 14 0.912 -0.134 11.229 97 1HD2 ASN 14 2HD2 ASN 14 -0.599 -2.452 10.986 98 2HD2 ASN 14 1HD2 ASN 14 -2.154 -2.060 10.332 99 H VAL 15 H VAL 15 3.653 -0.373 8.184 100 HA VAL 15 HA VAL 15 5.271 0.604 10.386 101 HB VAL 15 HB VAL 15 5.995 -1.009 7.931 102 1HG1 VAL 15 1HG1 VAL 15 7.970 0.029 8.768 103 2HG1 VAL 15 2HG1 VAL 15 7.523 -0.318 10.456 104 3HG1 VAL 15 3HG1 VAL 15 7.986 -1.647 9.366 105 1HG2 VAL 15 1HG2 VAL 15 5.285 -1.887 10.749 106 2HG2 VAL 15 2HG2 VAL 15 4.405 -2.257 9.246 107 3HG2 VAL 15 3HG2 VAL 15 6.025 -2.941 9.521 108 H CYS 16 H CYS 16 4.099 1.644 7.321 109 HA CYS 16 HA CYS 16 6.422 3.278 6.786 110 1HB CYS 16 1HB CYS 16 4.085 2.350 5.288 111 2HB CYS 16 2HB CYS 16 4.442 4.044 5.014 112 H ARG 17 H ARG 17 2.942 3.529 7.744 113 HA ARG 17 HA ARG 17 2.911 6.303 7.822 114 1HB ARG 17 1HB ARG 17 0.760 6.066 8.870 115 2HB ARG 17 2HB ARG 17 0.913 4.676 7.814 116 1HG ARG 17 1HG ARG 17 1.818 3.376 9.845 117 2HG ARG 17 2HG ARG 17 1.345 4.744 10.832 118 1HD ARG 17 1HD ARG 17 -0.560 3.180 9.021 119 2HD ARG 17 2HD ARG 17 -0.408 2.933 10.749 120 HE ARG 17 HE ARG 17 -1.807 5.118 9.431 121 1HH1 ARG 17 2HH2 ARG 17 -0.225 4.098 12.401 122 2HH1 ARG 17 1HH2 ARG 17 -0.896 5.381 13.352 123 1HH2 ARG 17 2HH1 ARG 17 -2.696 6.814 10.685 124 2HH2 ARG 17 1HH1 ARG 17 -2.357 6.902 12.381 125 H LEU 18 H LEU 18 4.274 3.885 9.937 126 HA LEU 18 HA LEU 18 4.253 5.649 12.242 127 1HB LEU 18 1HB LEU 18 4.513 2.804 11.744 128 2HB LEU 18 2HB LEU 18 5.795 3.386 12.788 129 HG LEU 18 HG LEU 18 4.077 4.378 14.298 130 1HD1 LEU 18 1HD1 LEU 18 2.162 3.049 12.371 131 2HD1 LEU 18 2HD1 LEU 18 1.717 3.533 14.025 132 3HD1 LEU 18 3HD1 LEU 18 2.237 4.763 12.848 133 1HD2 LEU 18 1HD2 LEU 18 5.058 2.198 14.781 134 2HD2 LEU 18 2HD2 LEU 18 3.351 2.255 15.285 135 3HD2 LEU 18 3HD2 LEU 18 3.810 1.401 13.792 136 HA PRO 19 HA PRO 19 8.277 7.090 11.648 137 1HB PRO 19 1HB PRO 19 9.290 7.272 14.180 138 2HB PRO 19 2HB PRO 19 8.182 8.449 13.504 139 1HG PRO 19 1HG PRO 19 7.647 6.332 15.496 140 2HG PRO 19 2HG PRO 19 6.698 7.759 15.129 141 1HD PRO 19 1HD PRO 19 6.133 5.066 14.317 142 2HD PRO 19 2HD PRO 19 5.250 6.508 13.855 143 H GLY 20 H GLY 20 8.563 4.902 10.513 144 1HA GLY 20 1HA GLY 20 10.963 3.726 11.756 145 2HA GLY 20 2HA GLY 20 9.650 2.696 11.221 146 H THR 21 H THR 21 8.814 3.390 8.833 147 HA THR 21 HA THR 21 9.307 3.240 6.665 148 HB THR 21 HB THR 21 11.570 5.200 7.269 149 HG1 THR 21 1HG THR 21 8.647 5.438 7.150 150 1HG2 THR 21 1HG2 THR 21 9.475 5.017 5.039 151 2HG2 THR 21 2HG2 THR 21 10.725 6.276 5.187 152 3HG2 THR 21 3HG2 THR 21 11.194 4.590 4.862 153 H SER 22 H SER 22 10.131 1.010 7.824 154 HA SER 22 HA SER 22 12.906 0.602 7.515 155 1HB SER 22 1HB SER 22 11.624 -0.714 9.129 156 2HB SER 22 2HB SER 22 10.570 -1.324 7.869 157 HG SER 22 HG SER 22 12.185 -2.632 7.072 158 H GLU 23 H GLU 23 9.941 -0.424 5.680 159 HA GLU 23 HA GLU 23 11.593 -1.476 3.594 160 1HB GLU 23 1HB GLU 23 8.563 -1.143 3.657 161 2HB GLU 23 2HB GLU 23 9.475 -2.162 2.561 162 1HG GLU 23 1HG GLU 23 9.172 -2.500 5.576 163 2HG GLU 23 2HG GLU 23 8.600 -3.584 4.324 164 HE2 GLU 23 HE GLU 23 10.211 -4.350 2.965 165 H ALA 24 H ALA 24 9.787 1.474 4.361 166 HA ALA 24 HA ALA 24 9.815 3.471 3.386 167 1HB ALA 24 1HB ALA 24 12.215 2.634 2.699 168 2HB ALA 24 2HB ALA 24 11.489 2.482 1.081 169 3HB ALA 24 3HB ALA 24 11.514 4.062 1.900 170 H ILE 25 H ILE 25 9.988 1.130 0.603 171 HA ILE 25 HA ILE 25 7.622 2.404 -0.493 172 HB ILE 25 HB ILE 25 9.278 0.189 -1.689 173 1HG1 ILE 25 1HG1 ILE 25 9.965 2.683 -2.851 174 2HG1 ILE 25 2HG1 ILE 25 10.086 2.894 -1.116 175 1HG2 ILE 25 1HG2 ILE 25 7.536 2.304 -2.982 176 2HG2 ILE 25 2HG2 ILE 25 8.391 0.972 -3.796 177 3HG2 ILE 25 3HG2 ILE 25 7.051 0.619 -2.679 178 1HD1 ILE 25 1HD1 ILE 25 11.490 0.822 -0.970 179 2HD1 ILE 25 2HD1 ILE 25 11.404 0.670 -2.741 180 3HD1 ILE 25 3HD1 ILE 25 12.224 2.068 -2.007 181 H CYS 26 H CYS 26 6.605 1.468 1.676 182 HA CYS 26 HA CYS 26 6.105 -1.270 1.810 183 1HB CYS 26 1HB CYS 26 4.324 0.922 2.880 184 2HB CYS 26 2HB CYS 26 4.439 -0.733 3.445 185 H ALA 27 H ALA 27 4.559 1.479 0.109 186 HA ALA 27 HA ALA 27 2.123 0.510 -0.536 187 1HB ALA 27 1HB ALA 27 2.367 1.848 -2.629 188 2HB ALA 27 2HB ALA 27 2.943 2.717 -1.187 189 3HB ALA 27 3HB ALA 27 4.112 1.982 -2.310 190 H THR 28 H THR 28 5.307 -0.478 -1.867 191 HA THR 28 HA THR 28 3.992 -2.317 -3.704 192 HB THR 28 HB THR 28 6.944 -1.669 -3.196 193 HG1 THR 28 1HG THR 28 6.507 -0.290 -5.081 194 1HG2 THR 28 1HG2 THR 28 6.540 -3.819 -4.459 195 2HG2 THR 28 2HG2 THR 28 5.517 -2.918 -5.603 196 3HG2 THR 28 3HG2 THR 28 7.256 -2.556 -5.488 197 H TYR 29 H TYR 29 5.835 -2.292 -0.646 198 HA TYR 29 HA TYR 29 5.894 -5.194 -0.632 199 1HB TYR 29 1HB TYR 29 7.607 -3.254 0.216 200 2HB TYR 29 2HB TYR 29 6.604 -3.300 1.652 201 HD1 TYR 29 1HD TYR 29 6.858 -5.018 3.277 202 HD2 TYR 29 2HD TYR 29 8.803 -5.375 -0.517 203 HE1 TYR 29 1HE TYR 29 8.199 -6.997 4.142 204 HE2 TYR 29 2HE TYR 29 10.137 -7.353 0.361 205 HH TYR 29 HH TYR 29 10.554 -8.636 2.040 206 H THR 30 H THR 30 3.256 -3.845 -0.631 207 HA THR 30 HA THR 30 2.281 -5.019 1.861 208 HB THR 30 HB THR 30 2.665 -2.468 2.086 209 HG1 THR 30 1HG THR 30 0.022 -3.742 2.151 210 1HG2 THR 30 1HG2 THR 30 0.048 -2.185 0.612 211 2HG2 THR 30 2HG2 THR 30 1.309 -0.965 0.911 212 3HG2 THR 30 3HG2 THR 30 1.539 -2.191 -0.359 213 H GLY 31 H GLY 31 2.404 -5.532 -1.208 214 1HA GLY 31 1HA GLY 31 0.987 -6.844 -2.442 215 2HA GLY 31 2HA GLY 31 -0.336 -6.476 -1.353 216 H CYS 32 H CYS 32 -0.109 -3.571 -1.380 217 HA CYS 32 HA CYS 32 -1.646 -3.052 -3.654 218 1HB CYS 32 1HB CYS 32 -0.233 -0.950 -2.022 219 2HB CYS 32 2HB CYS 32 -1.733 -0.808 -2.915 220 H ILE 33 H ILE 33 -0.838 -0.829 -4.957 221 HA ILE 33 HA ILE 33 1.943 -1.247 -5.746 222 HB ILE 33 HB ILE 33 1.354 -1.208 -8.098 223 1HG1 ILE 33 1HG1 ILE 33 -0.935 -0.007 -7.493 224 2HG1 ILE 33 2HG1 ILE 33 -0.730 -0.935 -8.966 225 1HG2 ILE 33 1HG2 ILE 33 0.356 -3.466 -8.254 226 2HG2 ILE 33 2HG2 ILE 33 1.662 -3.364 -7.049 227 3HG2 ILE 33 3HG2 ILE 33 -0.037 -3.389 -6.520 228 1HD1 ILE 33 1HD1 ILE 33 -1.793 -2.893 -7.978 229 2HD1 ILE 33 2HD1 ILE 33 -1.819 -2.121 -6.374 230 3HD1 ILE 33 3HD1 ILE 33 -2.842 -1.485 -7.684 231 H ILE 34 H ILE 34 2.453 0.637 -7.484 232 HA ILE 34 HA ILE 34 1.532 3.065 -6.140 233 HB ILE 34 HB ILE 34 3.951 2.510 -7.860 234 1HG1 ILE 34 1HG1 ILE 34 3.770 3.106 -4.893 235 2HG1 ILE 34 2HG1 ILE 34 3.939 1.498 -5.568 236 1HG2 ILE 34 1HG2 ILE 34 3.117 4.803 -8.176 237 2HG2 ILE 34 2HG2 ILE 34 3.182 5.061 -6.416 238 3HG2 ILE 34 3HG2 ILE 34 4.681 4.765 -7.328 239 1HD1 ILE 34 1HD1 ILE 34 5.908 3.810 -5.742 240 2HD1 ILE 34 2HD1 ILE 34 6.166 2.193 -5.046 241 3HD1 ILE 34 3HD1 ILE 34 6.027 2.391 -6.809 242 H ILE 35 H ILE 35 -0.075 4.182 -7.091 243 HA ILE 35 HA ILE 35 -0.442 3.799 -9.966 244 HB ILE 35 HB ILE 35 -2.684 4.394 -9.663 245 1HG1 ILE 35 1HG1 ILE 35 -1.855 5.480 -6.965 246 2HG1 ILE 35 2HG1 ILE 35 -2.532 6.358 -8.322 247 1HG2 ILE 35 1HG2 ILE 35 -2.120 2.856 -7.131 248 2HG2 ILE 35 2HG2 ILE 35 -3.492 2.707 -8.255 249 3HG2 ILE 35 3HG2 ILE 35 -1.876 2.144 -8.744 250 1HD1 ILE 35 1HD1 ILE 35 -4.375 6.064 -6.855 251 2HD1 ILE 35 2HD1 ILE 35 -4.601 4.789 -8.077 252 3HD1 ILE 35 3HD1 ILE 35 -3.922 4.384 -6.482 253 HA PRO 36 HA PRO 36 0.780 7.857 -10.777 254 1HB PRO 36 1HB PRO 36 -0.682 8.487 -12.998 255 2HB PRO 36 2HB PRO 36 0.765 7.500 -13.052 256 1HG PRO 36 1HG PRO 36 -2.060 6.660 -13.283 257 2HG PRO 36 2HG PRO 36 -0.613 5.788 -13.749 258 1HD PRO 36 1HD PRO 36 -2.219 5.326 -11.418 259 2HD PRO 36 2HD PRO 36 -0.710 4.533 -11.825 260 H GLY 37 H GLY 37 -2.724 7.723 -11.257 261 1HA GLY 37 1HA GLY 37 -3.084 9.695 -9.174 262 2HA GLY 37 2HA GLY 37 -3.391 10.295 -10.791 263 H ALA 38 H ALA 38 -4.474 8.121 -8.218 264 HA ALA 38 HA ALA 38 -6.280 6.832 -7.991 265 1HB ALA 38 1HB ALA 38 -7.168 9.124 -7.719 266 2HB ALA 38 2HB ALA 38 -7.526 9.191 -9.461 267 3HB ALA 38 3HB ALA 38 -8.389 8.035 -8.419 268 H THR 39 H THR 39 -4.767 5.806 -10.031 269 HA THR 39 HA THR 39 -6.851 4.914 -11.895 270 HB THR 39 HB THR 39 -4.033 5.913 -12.552 271 HG1 THR 39 1HG THR 39 -5.685 7.538 -12.479 272 1HG2 THR 39 1HG2 THR 39 -6.132 4.548 -14.320 273 2HG2 THR 39 2HG2 THR 39 -4.693 5.399 -14.930 274 3HG2 THR 39 3HG2 THR 39 -4.506 3.921 -13.957 275 H CYS 40 H CYS 40 -7.136 3.028 -10.653 276 HA CYS 40 HA CYS 40 -4.930 1.449 -9.894 277 1HB CYS 40 1HB CYS 40 -7.809 0.588 -10.227 278 2HB CYS 40 2HB CYS 40 -6.566 -0.229 -9.300 279 HA PRO 41 HA PRO 41 -4.308 -0.718 -13.621 280 1HB PRO 41 1HB PRO 41 -3.315 -3.110 -12.749 281 2HB PRO 41 2HB PRO 41 -2.348 -1.653 -12.857 282 1HG PRO 41 1HG PRO 41 -3.465 -2.962 -10.453 283 2HG PRO 41 2HG PRO 41 -2.173 -1.783 -10.561 284 1HD PRO 41 1HD PRO 41 -4.874 -1.297 -9.727 285 2HD PRO 41 2HD PRO 41 -3.613 -0.100 -9.946 286 H GLY 42 H GLY 42 -6.554 -1.831 -11.360 287 1HA GLY 42 1HA GLY 42 -8.666 -2.563 -12.121 288 2HA GLY 42 2HA GLY 42 -7.912 -3.294 -13.525 289 H ASP 43 H ASP 43 -5.640 -4.195 -11.490 290 HA ASP 43 HA ASP 43 -6.476 -6.790 -11.285 291 1HB ASP 43 1HB ASP 43 -4.457 -5.249 -9.588 292 2HB ASP 43 2HB ASP 43 -4.596 -6.996 -9.583 293 HD2 ASP 43 HD ASP 43 -2.133 -5.524 -12.090 294 H TYR 44 H TYR 44 -6.537 -4.048 -8.917 295 HA TYR 44 HA TYR 44 -8.087 -5.737 -7.081 296 1HB TYR 44 1HB TYR 44 -6.596 -3.052 -6.801 297 2HB TYR 44 2HB TYR 44 -7.378 -3.882 -5.471 298 HD1 TYR 44 1HD TYR 44 -4.311 -3.066 -6.323 299 HD2 TYR 44 2HD TYR 44 -6.550 -6.685 -5.878 300 HE1 TYR 44 1HE TYR 44 -2.165 -4.345 -5.852 301 HE2 TYR 44 2HE TYR 44 -4.396 -7.951 -5.410 302 HH TYR 44 HH TYR 44 -1.316 -6.233 -5.146 303 H ALA 45 H ALA 45 -8.017 -2.634 -8.890 304 HA ALA 45 HA ALA 45 -9.569 -1.090 -9.248 305 1HB ALA 45 1HB ALA 45 -10.499 -3.017 -10.504 306 2HB ALA 45 2HB ALA 45 -11.433 -3.492 -9.065 307 3HB ALA 45 3HB ALA 45 -11.782 -1.950 -9.883 308 H ASN 46 H ASN 46 -8.813 -0.583 -6.837 309 HA ASN 46 HA ASN 46 -11.302 -0.255 -5.387 310 1HB ASN 46 1HB ASN 46 -10.092 -2.171 -4.331 311 2HB ASN 46 2HB ASN 46 -8.649 -1.189 -4.169 312 1HD2 ASN 46 2HD2 ASN 46 -9.206 -2.101 -1.917 313 2HD2 ASN 46 1HD2 ASN 46 -10.093 -1.053 -0.861 Start of MODEL 2 1 H THR 1 H THR 1 0.072 -3.496 6.111 2 HA THR 1 HA THR 1 2.291 -3.714 6.883 3 HB THR 1 HB THR 1 2.156 -6.514 5.646 4 HG1 THR 1 1HG THR 1 1.010 -6.706 7.553 5 1HG2 THR 1 1HG2 THR 1 4.157 -5.174 7.542 6 2HG2 THR 1 2HG2 THR 1 4.184 -6.888 7.066 7 3HG2 THR 1 3HG2 THR 1 4.482 -5.622 5.851 8 H THR 2 H THR 2 1.667 -2.023 5.124 9 HA THR 2 HA THR 2 3.498 -2.536 2.904 10 HB THR 2 HB THR 2 1.465 -1.193 1.629 11 HG1 THR 2 1HG THR 2 0.345 -3.145 3.511 12 1HG2 THR 2 1HG2 THR 2 0.716 -3.372 0.729 13 2HG2 THR 2 2HG2 THR 2 2.491 -3.377 0.868 14 3HG2 THR 2 3HG2 THR 2 1.501 -4.224 2.081 15 H CYS 3 H CYS 3 4.279 -0.571 1.863 16 HA CYS 3 HA CYS 3 3.867 1.785 3.544 17 1HB CYS 3 1HB CYS 3 6.416 0.393 2.908 18 2HB CYS 3 2HB CYS 3 6.435 2.144 2.849 19 H CYS 4 H CYS 4 4.063 3.808 2.352 20 HA CYS 4 HA CYS 4 4.419 3.513 -0.521 21 1HB CYS 4 1HB CYS 4 2.208 5.305 0.262 22 2HB CYS 4 2HB CYS 4 2.392 4.278 -1.146 23 HA PRO 5 HA PRO 5 6.458 7.319 0.053 24 1HB PRO 5 1HB PRO 5 6.135 8.587 -2.346 25 2HB PRO 5 2HB PRO 5 7.309 7.311 -2.086 26 1HG PRO 5 1HG PRO 5 4.726 7.190 -3.519 27 2HG PRO 5 2HG PRO 5 6.082 6.085 -3.607 28 1HD PRO 5 1HD PRO 5 3.620 5.672 -2.194 29 2HD PRO 5 2HD PRO 5 5.021 4.620 -2.188 30 H SER 6 H SER 6 3.152 7.507 -0.949 31 HA SER 6 HA SER 6 3.056 10.055 0.468 32 1HB SER 6 1HB SER 6 1.249 10.766 -1.029 33 2HB SER 6 2HB SER 6 2.666 10.340 -1.970 34 HG SER 6 HG SER 6 1.707 8.403 -2.613 35 H ILE 7 H ILE 7 1.163 10.407 1.820 36 HA ILE 7 HA ILE 7 0.185 8.004 2.974 37 HB ILE 7 HB ILE 7 -0.983 9.466 4.492 38 1HG1 ILE 7 1HG1 ILE 7 -0.136 11.778 2.724 39 2HG1 ILE 7 2HG1 ILE 7 -1.755 11.112 2.785 40 1HG2 ILE 7 1HG2 ILE 7 0.882 10.498 5.512 41 2HG2 ILE 7 2HG2 ILE 7 1.516 9.076 4.651 42 3HG2 ILE 7 3HG2 ILE 7 1.722 10.701 3.956 43 1HD1 ILE 7 1HD1 ILE 7 -1.754 12.994 4.280 44 2HD1 ILE 7 2HD1 ILE 7 -1.720 11.549 5.319 45 3HD1 ILE 7 3HD1 ILE 7 -0.228 12.478 5.038 46 H VAL 8 H VAL 8 -0.832 10.137 0.383 47 HA VAL 8 HA VAL 8 -3.587 9.600 0.494 48 HB VAL 8 HB VAL 8 -1.717 10.452 -1.719 49 1HG1 VAL 8 1HG1 VAL 8 -4.739 10.196 -1.738 50 2HG1 VAL 8 2HG1 VAL 8 -3.824 11.182 -2.904 51 3HG1 VAL 8 3HG1 VAL 8 -3.567 9.422 -2.832 52 1HG2 VAL 8 1HG2 VAL 8 -2.782 12.666 -1.351 53 2HG2 VAL 8 2HG2 VAL 8 -3.690 11.976 0.016 54 3HG2 VAL 8 3HG2 VAL 8 -1.914 12.068 0.083 55 H ALA 9 H ALA 9 -0.778 7.925 -0.982 56 HA ALA 9 HA ALA 9 -2.325 6.104 -2.483 57 1HB ALA 9 1HB ALA 9 -0.017 6.561 -3.052 58 2HB ALA 9 2HB ALA 9 0.532 6.051 -1.437 59 3HB ALA 9 3HB ALA 9 -0.139 4.852 -2.569 60 H ARG 10 H ARG 10 -1.132 6.233 0.883 61 HA ARG 10 HA ARG 10 -1.676 3.529 1.393 62 1HB ARG 10 1HB ARG 10 -0.248 5.435 2.697 63 2HB ARG 10 2HB ARG 10 -1.732 5.561 3.620 64 1HG ARG 10 1HG ARG 10 -1.652 3.197 4.224 65 2HG ARG 10 2HG ARG 10 -0.333 2.898 3.109 66 1HD ARG 10 1HD ARG 10 -0.145 4.778 5.513 67 2HD ARG 10 2HD ARG 10 0.403 3.113 5.523 68 HE ARG 10 HE ARG 10 1.566 4.527 3.288 69 1HH1 ARG 10 2HH2 ARG 10 1.879 3.984 6.749 70 2HH1 ARG 10 1HH2 ARG 10 3.544 4.457 6.801 71 1HH2 ARG 10 2HH1 ARG 10 3.654 5.515 3.451 72 2HH2 ARG 10 1HH1 ARG 10 4.616 5.136 4.841 73 H SER 11 H SER 11 -3.504 6.594 1.590 74 HA SER 11 HA SER 11 -5.585 5.561 3.160 75 1HB SER 11 1HB SER 11 -6.695 7.637 2.734 76 2HB SER 11 2HB SER 11 -4.985 8.016 2.800 77 HG SER 11 HG SER 11 -6.153 9.001 0.970 78 H ASN 12 H ASN 12 -4.848 5.668 -0.330 79 HA ASN 12 HA ASN 12 -7.464 4.973 -1.122 80 1HB ASN 12 1HB ASN 12 -4.763 4.806 -2.557 81 2HB ASN 12 2HB ASN 12 -6.291 4.472 -3.348 82 1HD2 ASN 12 2HD2 ASN 12 -4.318 6.531 -3.890 83 2HD2 ASN 12 1HD2 ASN 12 -5.121 8.062 -3.784 84 H PHE 13 H PHE 13 -4.473 3.298 -0.154 85 HA PHE 13 HA PHE 13 -5.046 0.792 -1.275 86 1HB PHE 13 1HB PHE 13 -2.861 1.818 -0.260 87 2HB PHE 13 2HB PHE 13 -3.543 1.475 1.318 88 HD1 PHE 13 1HD PHE 13 -1.785 0.128 -1.511 89 HD2 PHE 13 2HD PHE 13 -4.026 -0.924 1.936 90 HE1 PHE 13 1HE PHE 13 -0.847 -2.198 -1.611 91 HE2 PHE 13 2HE PHE 13 -3.088 -3.250 1.836 92 HZ PHE 13 HZ PHE 13 -1.510 -3.859 0.064 93 H ASN 14 H ASN 14 -6.387 2.519 1.447 94 HA ASN 14 HA ASN 14 -6.980 0.434 3.125 95 1HB ASN 14 1HB ASN 14 -8.489 3.025 2.514 96 2HB ASN 14 2HB ASN 14 -8.955 1.955 3.821 97 1HD2 ASN 14 2HD2 ASN 14 -8.242 4.558 4.273 98 2HD2 ASN 14 1HD2 ASN 14 -6.755 4.639 5.158 99 H VAL 15 H VAL 15 -8.318 1.439 0.009 100 HA VAL 15 HA VAL 15 -10.859 0.270 0.234 101 HB VAL 15 HB VAL 15 -9.108 0.863 -2.159 102 1HG1 VAL 15 1HG1 VAL 15 -12.067 0.201 -2.009 103 2HG1 VAL 15 2HG1 VAL 15 -11.240 0.844 -3.448 104 3HG1 VAL 15 3HG1 VAL 15 -10.792 -0.753 -2.802 105 1HG2 VAL 15 1HG2 VAL 15 -10.682 2.853 -2.345 106 2HG2 VAL 15 2HG2 VAL 15 -11.223 2.462 -0.694 107 3HG2 VAL 15 3HG2 VAL 15 -9.522 2.893 -0.996 108 H CYS 16 H CYS 16 -7.612 -0.996 -0.480 109 HA CYS 16 HA CYS 16 -8.606 -3.474 -1.478 110 1HB CYS 16 1HB CYS 16 -5.909 -2.357 -0.816 111 2HB CYS 16 2HB CYS 16 -6.090 -4.091 -0.989 112 H ARG 17 H ARG 17 -7.610 -2.035 1.633 113 HA ARG 17 HA ARG 17 -7.348 -4.459 2.991 114 1HB ARG 17 1HB ARG 17 -7.907 -1.613 3.956 115 2HB ARG 17 2HB ARG 17 -7.620 -2.945 5.058 116 1HG ARG 17 1HG ARG 17 -5.402 -3.361 3.893 117 2HG ARG 17 2HG ARG 17 -5.687 -1.930 2.921 118 1HD ARG 17 1HD ARG 17 -6.053 -0.761 5.300 119 2HD ARG 17 2HD ARG 17 -5.123 -2.125 5.888 120 HE ARG 17 HE ARG 17 -4.099 0.122 4.376 121 1HH1 ARG 17 2HH2 ARG 17 -3.567 -3.267 5.142 122 2HH1 ARG 17 1HH2 ARG 17 -1.960 -3.296 4.496 123 1HH2 ARG 17 2HH1 ARG 17 -1.940 0.116 3.618 124 2HH2 ARG 17 1HH1 ARG 17 -1.018 -1.350 3.647 125 H LEU 18 H LEU 18 -10.064 -2.218 2.322 126 HA LEU 18 HA LEU 18 -11.845 -3.472 4.157 127 1HB LEU 18 1HB LEU 18 -11.897 -1.275 2.197 128 2HB LEU 18 2HB LEU 18 -13.422 -2.116 2.394 129 HG LEU 18 HG LEU 18 -13.204 -1.726 4.890 130 1HD1 LEU 18 1HD1 LEU 18 -11.704 0.007 5.676 131 2HD1 LEU 18 2HD1 LEU 18 -10.772 -1.305 4.914 132 3HD1 LEU 18 3HD1 LEU 18 -11.043 0.220 4.038 133 1HD2 LEU 18 1HD2 LEU 18 -13.456 0.637 3.013 134 2HD2 LEU 18 2HD2 LEU 18 -14.755 -0.431 3.598 135 3HD2 LEU 18 3HD2 LEU 18 -13.919 0.657 4.732 136 HA PRO 19 HA PRO 19 -13.352 -6.660 1.669 137 1HB PRO 19 1HB PRO 19 -16.001 -6.803 2.326 138 2HB PRO 19 2HB PRO 19 -14.726 -7.457 3.336 139 1HG PRO 19 1HG PRO 19 -16.317 -4.996 3.722 140 2HG PRO 19 2HG PRO 19 -15.363 -5.882 4.895 141 1HD PRO 19 1HD PRO 19 -14.641 -3.429 3.596 142 2HD PRO 19 2HD PRO 19 -13.640 -4.375 4.680 143 H GLY 20 H GLY 20 -14.292 -3.534 1.086 144 1HA GLY 20 1HA GLY 20 -16.264 -3.697 -0.811 145 2HA GLY 20 2HA GLY 20 -14.964 -2.522 -0.808 146 H THR 21 H THR 21 -12.746 -3.399 -1.666 147 HA THR 21 HA THR 21 -13.344 -4.931 -4.101 148 HB THR 21 HB THR 21 -11.169 -2.910 -3.352 149 HG1 THR 21 1HG THR 21 -13.325 -3.069 -5.340 150 1HG2 THR 21 1HG2 THR 21 -10.733 -3.040 -5.896 151 2HG2 THR 21 2HG2 THR 21 -10.116 -4.410 -4.941 152 3HG2 THR 21 3HG2 THR 21 -11.624 -4.581 -5.871 153 H SER 22 H SER 22 -10.183 -4.453 -2.482 154 HA SER 22 HA SER 22 -8.814 -5.871 -1.541 155 1HB SER 22 1HB SER 22 -11.063 -6.924 -0.615 156 2HB SER 22 2HB SER 22 -10.726 -8.205 -1.763 157 HG SER 22 HG SER 22 -9.155 -7.363 0.499 158 H GLU 23 H GLU 23 -10.846 -7.651 -3.985 159 HA GLU 23 HA GLU 23 -9.087 -9.368 -4.961 160 1HB GLU 23 1HB GLU 23 -11.134 -7.649 -6.395 161 2HB GLU 23 2HB GLU 23 -10.195 -8.836 -7.277 162 1HG GLU 23 1HG GLU 23 -10.974 -10.619 -5.691 163 2HG GLU 23 2HG GLU 23 -11.930 -9.427 -4.832 164 HE2 GLU 23 HE GLU 23 -13.195 -11.383 -5.768 165 H ALA 24 H ALA 24 -9.449 -6.010 -6.333 166 HA ALA 24 HA ALA 24 -7.177 -6.171 -7.939 167 1HB ALA 24 1HB ALA 24 -8.483 -3.720 -6.691 168 2HB ALA 24 2HB ALA 24 -7.452 -3.751 -8.141 169 3HB ALA 24 3HB ALA 24 -9.048 -4.537 -8.168 170 H ILE 25 H ILE 25 -5.008 -5.673 -7.617 171 HA ILE 25 HA ILE 25 -4.216 -5.543 -4.828 172 HB ILE 25 HB ILE 25 -2.557 -5.894 -7.326 173 1HG1 ILE 25 1HG1 ILE 25 -3.463 -8.057 -5.414 174 2HG1 ILE 25 2HG1 ILE 25 -4.332 -7.667 -6.885 175 1HG2 ILE 25 1HG2 ILE 25 -1.940 -5.892 -4.397 176 2HG2 ILE 25 2HG2 ILE 25 -1.041 -6.989 -5.473 177 3HG2 ILE 25 3HG2 ILE 25 -1.012 -5.233 -5.766 178 1HD1 ILE 25 1HD1 ILE 25 -2.881 -9.405 -7.564 179 2HD1 ILE 25 2HD1 ILE 25 -2.013 -7.939 -8.080 180 3HD1 ILE 25 3HD1 ILE 25 -1.528 -8.782 -6.590 181 H CYS 26 H CYS 26 -3.800 -3.649 -3.837 182 HA CYS 26 HA CYS 26 -3.536 -1.303 -5.504 183 1HB CYS 26 1HB CYS 26 -3.751 -1.588 -2.500 184 2HB CYS 26 2HB CYS 26 -3.699 -0.068 -3.370 185 H ALA 27 H ALA 27 -1.516 -3.718 -4.499 186 HA ALA 27 HA ALA 27 0.652 -2.016 -3.586 187 1HB ALA 27 1HB ALA 27 1.724 -4.032 -2.979 188 2HB ALA 27 2HB ALA 27 0.003 -4.344 -2.651 189 3HB ALA 27 3HB ALA 27 0.760 -4.995 -4.124 190 H THR 28 H THR 28 -0.709 -2.218 -6.452 191 HA THR 28 HA THR 28 1.641 -2.956 -8.007 192 HB THR 28 HB THR 28 0.022 -2.644 -9.908 193 HG1 THR 28 1HG THR 28 -2.210 -2.118 -9.111 194 1HG2 THR 28 1HG2 THR 28 -0.012 -4.838 -8.596 195 2HG2 THR 28 2HG2 THR 28 -1.310 -4.145 -7.596 196 3HG2 THR 28 3HG2 THR 28 -1.574 -4.412 -9.336 197 H TYR 29 H TYR 29 0.079 -0.680 -9.806 198 HA TYR 29 HA TYR 29 2.169 1.250 -9.225 199 1HB TYR 29 1HB TYR 29 1.008 2.255 -11.355 200 2HB TYR 29 2HB TYR 29 1.783 0.697 -11.564 201 HD1 TYR 29 1HD TYR 29 -1.499 2.371 -11.096 202 HD2 TYR 29 2HD TYR 29 0.524 -1.247 -12.156 203 HE1 TYR 29 1HE TYR 29 -3.685 1.389 -11.945 204 HE2 TYR 29 2HE TYR 29 -1.669 -2.217 -13.001 205 HH TYR 29 HH TYR 29 -3.747 -1.780 -13.517 206 H THR 30 H THR 30 0.235 1.015 -7.127 207 HA THR 30 HA THR 30 -1.324 3.486 -7.497 208 HB THR 30 HB THR 30 -1.771 1.296 -5.417 209 HG1 THR 30 1HG THR 30 -3.274 0.501 -7.113 210 1HG2 THR 30 1HG2 THR 30 -3.698 3.205 -6.839 211 2HG2 THR 30 2HG2 THR 30 -4.085 2.108 -5.491 212 3HG2 THR 30 3HG2 THR 30 -3.025 3.512 -5.220 213 H GLY 31 H GLY 31 1.585 3.323 -6.900 214 1HA GLY 31 1HA GLY 31 2.843 4.786 -5.653 215 2HA GLY 31 2HA GLY 31 1.503 5.035 -4.551 216 H CYS 32 H CYS 32 0.800 2.612 -3.561 217 HA CYS 32 HA CYS 32 2.962 2.028 -1.851 218 1HB CYS 32 1HB CYS 32 0.388 0.482 -2.217 219 2HB CYS 32 2HB CYS 32 1.483 0.385 -0.852 220 H ILE 33 H ILE 33 3.966 -0.171 -1.608 221 HA ILE 33 HA ILE 33 3.898 -1.727 -4.086 222 HB ILE 33 HB ILE 33 6.314 -1.936 -4.061 223 1HG1 ILE 33 1HG1 ILE 33 6.520 0.248 -2.000 224 2HG1 ILE 33 2HG1 ILE 33 6.394 -1.427 -1.500 225 1HG2 ILE 33 1HG2 ILE 33 6.861 0.233 -4.935 226 2HG2 ILE 33 2HG2 ILE 33 5.182 -0.153 -5.383 227 3HG2 ILE 33 3HG2 ILE 33 5.509 0.984 -4.053 228 1HD1 ILE 33 1HD1 ILE 33 8.376 -2.023 -2.844 229 2HD1 ILE 33 2HD1 ILE 33 8.478 -0.356 -3.460 230 3HD1 ILE 33 3HD1 ILE 33 8.769 -0.688 -1.735 231 H ILE 34 H ILE 34 5.636 -3.752 -3.415 232 HA ILE 34 HA ILE 34 4.245 -4.895 -1.111 233 HB ILE 34 HB ILE 34 5.765 -6.195 -3.374 234 1HG1 ILE 34 1HG1 ILE 34 2.784 -6.137 -2.820 235 2HG1 ILE 34 2HG1 ILE 34 3.595 -5.121 -3.995 236 1HG2 ILE 34 1HG2 ILE 34 5.015 -8.312 -2.501 237 2HG2 ILE 34 2HG2 ILE 34 5.916 -7.443 -1.235 238 3HG2 ILE 34 3HG2 ILE 34 4.138 -7.505 -1.180 239 1HD1 ILE 34 1HD1 ILE 34 2.789 -6.999 -5.237 240 2HD1 ILE 34 2HD1 ILE 34 4.532 -7.298 -5.028 241 3HD1 ILE 34 3HD1 ILE 34 3.353 -8.153 -4.005 242 H ILE 35 H ILE 35 5.306 -5.423 0.754 243 HA ILE 35 HA ILE 35 8.231 -5.173 0.677 244 HB ILE 35 HB ILE 35 8.190 -4.101 2.822 245 1HG1 ILE 35 1HG1 ILE 35 5.163 -4.221 2.691 246 2HG1 ILE 35 2HG1 ILE 35 6.166 -5.237 3.708 247 1HG2 ILE 35 1HG2 ILE 35 7.968 -2.759 0.710 248 2HG2 ILE 35 2HG2 ILE 35 6.221 -2.658 1.034 249 3HG2 ILE 35 3HG2 ILE 35 7.382 -1.953 2.185 250 1HD1 ILE 35 1HD1 ILE 35 5.457 -3.413 5.098 251 2HD1 ILE 35 2HD1 ILE 35 7.156 -3.072 4.690 252 3HD1 ILE 35 3HD1 ILE 35 5.848 -2.212 3.844 253 HA PRO 36 HA PRO 36 8.204 -9.043 2.586 254 1HB PRO 36 1HB PRO 36 10.620 -9.056 3.863 255 2HB PRO 36 2HB PRO 36 10.442 -9.362 2.147 256 1HG PRO 36 1HG PRO 36 11.441 -6.932 3.502 257 2HG PRO 36 2HG PRO 36 11.648 -7.422 1.832 258 1HD PRO 36 1HD PRO 36 9.841 -5.427 2.825 259 2HD PRO 36 2HD PRO 36 9.966 -5.999 1.173 260 H GLY 37 H GLY 37 8.148 -10.327 4.580 261 1HA GLY 37 1HA GLY 37 6.708 -8.851 6.556 262 2HA GLY 37 2HA GLY 37 7.157 -10.545 6.600 263 H ALA 38 H ALA 38 8.572 -7.220 6.921 264 HA ALA 38 HA ALA 38 9.947 -8.052 9.299 265 1HB ALA 38 1HB ALA 38 11.645 -8.844 7.880 266 2HB ALA 38 2HB ALA 38 11.392 -7.543 6.691 267 3HB ALA 38 3HB ALA 38 12.173 -7.185 8.250 268 H THR 39 H THR 39 11.150 -5.484 7.159 269 HA THR 39 HA THR 39 9.509 -3.508 8.555 270 HB THR 39 HB THR 39 12.573 -3.495 8.463 271 HG1 THR 39 1HG THR 39 11.874 -4.905 10.108 272 1HG2 THR 39 1HG2 THR 39 10.520 -1.638 9.776 273 2HG2 THR 39 2HG2 THR 39 12.267 -1.606 10.115 274 3HG2 THR 39 3HG2 THR 39 11.667 -1.191 8.491 275 H CYS 40 H CYS 40 9.469 -1.408 7.500 276 HA CYS 40 HA CYS 40 9.301 -1.716 4.721 277 1HB CYS 40 1HB CYS 40 9.137 0.665 6.558 278 2HB CYS 40 2HB CYS 40 9.042 0.842 4.817 279 HA PRO 41 HA PRO 41 13.348 -0.592 3.570 280 1HB PRO 41 1HB PRO 41 12.972 0.505 1.096 281 2HB PRO 41 2HB PRO 41 13.001 -1.224 1.384 282 1HG PRO 41 1HG PRO 41 10.680 0.528 0.850 283 2HG PRO 41 2HG PRO 41 10.792 -1.216 0.718 284 1HD PRO 41 1HD PRO 41 9.538 0.269 2.827 285 2HD PRO 41 2HD PRO 41 9.752 -1.469 2.753 286 H GLY 42 H GLY 42 14.811 1.237 2.645 287 1HA GLY 42 1HA GLY 42 14.266 3.489 4.365 288 2HA GLY 42 2HA GLY 42 15.682 3.212 3.370 289 H ASP 43 H ASP 43 13.087 2.601 1.344 290 HA ASP 43 HA ASP 43 13.474 5.091 0.038 291 1HB ASP 43 1HB ASP 43 11.746 2.644 -0.509 292 2HB ASP 43 2HB ASP 43 11.657 4.068 -1.526 293 HD2 ASP 43 HD ASP 43 14.638 2.745 -0.225 294 H TYR 44 H TYR 44 10.711 3.257 1.545 295 HA TYR 44 HA TYR 44 9.287 5.822 1.798 296 1HB TYR 44 1HB TYR 44 8.238 2.932 1.586 297 2HB TYR 44 2HB TYR 44 7.243 4.374 1.572 298 HD1 TYR 44 1HD TYR 44 7.625 1.997 -0.510 299 HD2 TYR 44 2HD TYR 44 8.983 6.049 -0.309 300 HE1 TYR 44 1HE TYR 44 7.774 2.081 -3.047 301 HE2 TYR 44 2HE TYR 44 9.128 6.119 -2.846 302 HH TYR 44 HH TYR 44 8.902 3.281 -4.742 303 H ALA 45 H ALA 45 10.928 5.588 3.823 304 HA ALA 45 HA ALA 45 9.780 3.901 5.880 305 1HB ALA 45 1HB ALA 45 12.151 5.812 5.842 306 2HB ALA 45 2HB ALA 45 11.706 4.759 7.207 307 3HB ALA 45 3HB ALA 45 12.214 4.042 5.658 308 H ASN 46 H ASN 46 7.645 5.113 5.640 309 HA ASN 46 HA ASN 46 7.745 7.340 7.493 310 1HB ASN 46 1HB ASN 46 5.826 8.372 6.034 311 2HB ASN 46 2HB ASN 46 7.472 8.557 5.461 312 1HD2 ASN 46 2HD2 ASN 46 6.059 8.910 3.487 313 2HD2 ASN 46 1HD2 ASN 46 5.744 7.543 2.471 Start of MODEL 3 1 H THR 1 H THR 1 -8.095 -5.592 -1.111 2 HA THR 1 HA THR 1 -5.876 -6.902 -0.159 3 HB THR 1 HB THR 1 -6.152 -8.408 -2.143 4 HG1 THR 1 1HG THR 1 -3.923 -8.120 -2.656 5 1HG2 THR 1 1HG2 THR 1 -5.597 -5.851 -3.737 6 2HG2 THR 1 2HG2 THR 1 -5.700 -7.499 -4.402 7 3HG2 THR 1 3HG2 THR 1 -7.152 -6.717 -3.732 8 H THR 2 H THR 2 -3.866 -5.745 -1.892 9 HA THR 2 HA THR 2 -4.579 -2.904 -1.835 10 HB THR 2 HB THR 2 -2.095 -4.125 -0.521 11 HG1 THR 2 1HG THR 2 -4.695 -3.092 0.336 12 1HG2 THR 2 1HG2 THR 2 -3.287 -1.322 -0.258 13 2HG2 THR 2 2HG2 THR 2 -1.722 -1.896 0.366 14 3HG2 THR 2 3HG2 THR 2 -1.961 -1.694 -1.386 15 H CYS 3 H CYS 3 -4.081 -1.936 -3.694 16 HA CYS 3 HA CYS 3 -2.235 -3.364 -5.438 17 1HB CYS 3 1HB CYS 3 -4.458 -1.405 -5.910 18 2HB CYS 3 2HB CYS 3 -3.194 -1.595 -7.109 19 H CYS 4 H CYS 4 -0.420 -2.235 -6.386 20 HA CYS 4 HA CYS 4 0.104 0.396 -5.226 21 1HB CYS 4 1HB CYS 4 1.349 -1.822 -4.276 22 2HB CYS 4 2HB CYS 4 2.447 -1.377 -5.567 23 HA PRO 5 HA PRO 5 1.041 1.161 -9.421 24 1HB PRO 5 1HB PRO 5 2.200 3.626 -9.198 25 2HB PRO 5 2HB PRO 5 0.465 3.381 -9.217 26 1HG PRO 5 1HG PRO 5 2.222 4.018 -6.926 27 2HG PRO 5 2HG PRO 5 0.482 4.187 -7.056 28 1HD PRO 5 1HD PRO 5 1.908 2.125 -5.661 29 2HD PRO 5 2HD PRO 5 0.173 2.230 -5.889 30 H SER 6 H SER 6 3.451 1.021 -7.004 31 HA SER 6 HA SER 6 5.251 0.070 -9.039 32 1HB SER 6 1HB SER 6 7.061 1.534 -8.503 33 2HB SER 6 2HB SER 6 5.666 2.573 -8.717 34 HG SER 6 HG SER 6 6.751 3.210 -6.815 35 H ILE 7 H ILE 7 7.140 -1.120 -8.043 36 HA ILE 7 HA ILE 7 6.232 -2.572 -5.757 37 HB ILE 7 HB ILE 7 7.427 -3.482 -7.794 38 1HG1 ILE 7 1HG1 ILE 7 8.586 -4.205 -5.086 39 2HG1 ILE 7 2HG1 ILE 7 7.015 -4.723 -5.666 40 1HG2 ILE 7 1HG2 ILE 7 9.217 -1.696 -7.745 41 2HG2 ILE 7 2HG2 ILE 7 9.933 -2.571 -6.370 42 3HG2 ILE 7 3HG2 ILE 7 9.786 -3.369 -7.954 43 1HD1 ILE 7 1HD1 ILE 7 9.735 -5.385 -6.869 44 2HD1 ILE 7 2HD1 ILE 7 8.556 -6.512 -6.156 45 3HD1 ILE 7 3HD1 ILE 7 8.201 -5.716 -7.708 46 H VAL 8 H VAL 8 8.285 0.207 -6.389 47 HA VAL 8 HA VAL 8 9.875 0.019 -4.073 48 HB VAL 8 HB VAL 8 9.061 2.312 -5.862 49 1HG1 VAL 8 1HG1 VAL 8 11.016 3.518 -4.828 50 2HG1 VAL 8 2HG1 VAL 8 9.613 3.308 -3.753 51 3HG1 VAL 8 3HG1 VAL 8 11.042 2.263 -3.565 52 1HG2 VAL 8 1HG2 VAL 8 11.613 0.677 -5.659 53 2HG2 VAL 8 2HG2 VAL 8 10.405 0.603 -6.965 54 3HG2 VAL 8 3HG2 VAL 8 11.368 2.081 -6.726 55 H ALA 9 H ALA 9 6.678 1.498 -4.812 56 HA ALA 9 HA ALA 9 6.430 2.778 -2.307 57 1HB ALA 9 1HB ALA 9 3.955 2.783 -3.037 58 2HB ALA 9 2HB ALA 9 5.120 3.602 -4.105 59 3HB ALA 9 3HB ALA 9 4.519 1.979 -4.522 60 H ARG 10 H ARG 10 5.980 -0.523 -3.472 61 HA ARG 10 HA ARG 10 4.257 -1.278 -1.380 62 1HB ARG 10 1HB ARG 10 4.421 -2.496 -3.570 63 2HB ARG 10 2HB ARG 10 6.057 -2.985 -3.175 64 1HG ARG 10 1HG ARG 10 4.757 -4.864 -2.545 65 2HG ARG 10 2HG ARG 10 5.046 -4.045 -1.024 66 1HD ARG 10 1HD ARG 10 2.706 -4.547 -1.012 67 2HD ARG 10 2HD ARG 10 2.792 -2.837 -1.386 68 HE ARG 10 HE ARG 10 2.842 -4.048 -3.885 69 1HH1 ARG 10 2HH2 ARG 10 0.645 -4.065 -1.135 70 2HH1 ARG 10 1HH2 ARG 10 -0.712 -4.613 -2.062 71 1HH2 ARG 10 2HH1 ARG 10 0.998 -4.539 -5.143 72 2HH2 ARG 10 1HH1 ARG 10 -0.540 -4.756 -4.377 73 H SER 11 H SER 11 7.761 -1.007 -1.844 74 HA SER 11 HA SER 11 8.471 -2.746 0.244 75 1HB SER 11 1HB SER 11 9.974 -2.045 -1.653 76 2HB SER 11 2HB SER 11 10.058 -0.436 -0.964 77 HG SER 11 HG SER 11 10.981 -1.401 0.988 78 H ASN 12 H ASN 12 7.072 0.403 0.141 79 HA ASN 12 HA ASN 12 8.271 1.239 2.611 80 1HB ASN 12 1HB ASN 12 6.272 2.444 0.657 81 2HB ASN 12 2HB ASN 12 6.460 3.150 2.250 82 1HD2 ASN 12 2HD2 ASN 12 8.239 2.124 -0.633 83 2HD2 ASN 12 1HD2 ASN 12 9.491 3.319 -0.565 84 H PHE 13 H PHE 13 5.883 -0.925 1.683 85 HA PHE 13 HA PHE 13 3.832 -0.169 3.532 86 1HB PHE 13 1HB PHE 13 3.717 -1.494 1.264 87 2HB PHE 13 2HB PHE 13 4.379 -2.856 2.146 88 HD1 PHE 13 1HD PHE 13 1.670 -0.350 2.778 89 HD2 PHE 13 2HD PHE 13 2.803 -4.438 2.670 90 HE1 PHE 13 1HE PHE 13 -0.643 -1.010 3.494 91 HE2 PHE 13 2HE PHE 13 0.489 -5.098 3.386 92 HZ PHE 13 HZ PHE 13 -1.206 -3.376 3.790 93 H ASN 14 H ASN 14 6.915 -1.417 3.957 94 HA ASN 14 HA ASN 14 6.475 -3.566 5.634 95 1HB ASN 14 1HB ASN 14 8.738 -1.500 5.610 96 2HB ASN 14 2HB ASN 14 8.804 -3.003 6.508 97 1HD2 ASN 14 2HD2 ASN 14 10.744 -2.611 4.777 98 2HD2 ASN 14 1HD2 ASN 14 10.587 -3.564 3.340 99 H VAL 15 H VAL 15 6.054 -0.102 6.018 100 HA VAL 15 HA VAL 15 6.430 0.067 8.808 101 HB VAL 15 HB VAL 15 4.859 1.762 6.857 102 1HG1 VAL 15 1HG1 VAL 15 4.008 2.245 9.038 103 2HG1 VAL 15 2HG1 VAL 15 5.642 2.263 9.744 104 3HG1 VAL 15 3HG1 VAL 15 5.143 3.551 8.620 105 1HG2 VAL 15 1HG2 VAL 15 7.670 2.052 7.972 106 2HG2 VAL 15 2HG2 VAL 15 7.228 1.638 6.298 107 3HG2 VAL 15 3HG2 VAL 15 6.837 3.248 6.950 108 H CYS 16 H CYS 16 3.834 -1.100 6.724 109 HA CYS 16 HA CYS 16 1.846 -0.890 8.767 110 1HB CYS 16 1HB CYS 16 1.861 -1.263 5.986 111 2HB CYS 16 2HB CYS 16 1.213 -2.754 6.640 112 H ARG 17 H ARG 17 4.415 -3.067 7.809 113 HA ARG 17 HA ARG 17 3.187 -5.324 9.068 114 1HB ARG 17 1HB ARG 17 6.006 -4.962 7.931 115 2HB ARG 17 2HB ARG 17 5.319 -6.491 8.442 116 1HG ARG 17 1HG ARG 17 4.126 -4.727 6.252 117 2HG ARG 17 2HG ARG 17 5.184 -6.090 5.946 118 1HD ARG 17 1HD ARG 17 3.085 -7.110 5.731 119 2HD ARG 17 2HD ARG 17 3.436 -7.443 7.415 120 HE ARG 17 HE ARG 17 1.960 -4.933 6.836 121 1HH1 ARG 17 2HH2 ARG 17 1.334 -8.324 7.150 122 2HH1 ARG 17 1HH2 ARG 17 0.063 -8.147 8.314 123 1HH2 ARG 17 2HH1 ARG 17 0.464 -4.671 8.672 124 2HH2 ARG 17 1HH1 ARG 17 -0.582 -6.013 8.992 125 H LEU 18 H LEU 18 5.590 -2.781 9.733 126 HA LEU 18 HA LEU 18 6.816 -4.027 11.938 127 1HB LEU 18 1HB LEU 18 6.882 -1.480 10.553 128 2HB LEU 18 2HB LEU 18 6.977 -1.261 12.289 129 HG LEU 18 HG LEU 18 8.864 -2.981 12.276 130 1HD1 LEU 18 1HD1 LEU 18 10.058 -3.327 10.180 131 2HD1 LEU 18 2HD1 LEU 18 8.394 -3.952 10.072 132 3HD1 LEU 18 3HD1 LEU 18 8.815 -2.404 9.301 133 1HD2 LEU 18 1HD2 LEU 18 9.253 -0.331 10.859 134 2HD2 LEU 18 2HD2 LEU 18 9.272 -0.616 12.616 135 3HD2 LEU 18 3HD2 LEU 18 10.546 -1.315 11.587 136 HA PRO 19 HA PRO 19 4.063 -3.199 15.164 137 1HB PRO 19 1HB PRO 19 5.579 -2.225 17.219 138 2HB PRO 19 2HB PRO 19 5.515 -3.925 16.797 139 1HG PRO 19 1HG PRO 19 7.669 -1.967 16.283 140 2HG PRO 19 2HG PRO 19 7.749 -3.717 16.261 141 1HD PRO 19 1HD PRO 19 7.657 -1.975 13.984 142 2HD PRO 19 2HD PRO 19 7.620 -3.727 13.966 143 H GLY 20 H GLY 20 3.202 -1.511 13.550 144 1HA GLY 20 1HA GLY 20 2.394 0.701 15.114 145 2HA GLY 20 2HA GLY 20 3.665 1.194 14.014 146 H THR 21 H THR 21 1.826 2.572 13.126 147 HA THR 21 HA THR 21 0.783 1.287 10.791 148 HB THR 21 HB THR 21 -0.893 0.562 12.492 149 HG1 THR 21 1HG THR 21 -1.692 1.132 10.392 150 1HG2 THR 21 1HG2 THR 21 -0.598 2.550 14.065 151 2HG2 THR 21 2HG2 THR 21 -1.414 3.559 12.847 152 3HG2 THR 21 3HG2 THR 21 -2.293 2.225 13.631 153 H SER 22 H SER 22 2.662 3.411 11.420 154 HA SER 22 HA SER 22 3.027 5.559 11.098 155 1HB SER 22 1HB SER 22 2.792 6.188 8.814 156 2HB SER 22 2HB SER 22 2.885 4.438 8.792 157 HG SER 22 HG SER 22 0.435 4.515 8.834 158 H GLU 23 H GLU 23 0.782 6.917 9.136 159 HA GLU 23 HA GLU 23 -0.544 8.128 11.385 160 1HB GLU 23 1HB GLU 23 -0.212 8.822 8.461 161 2HB GLU 23 2HB GLU 23 -1.493 9.585 9.382 162 1HG GLU 23 1HG GLU 23 0.581 10.955 9.416 163 2HG GLU 23 2HG GLU 23 0.134 10.438 11.030 164 HE2 GLU 23 HE GLU 23 3.340 8.688 9.325 165 H ALA 24 H ALA 24 -1.481 5.646 11.417 166 HA ALA 24 HA ALA 24 -3.392 4.518 11.469 167 1HB ALA 24 1HB ALA 24 -4.348 6.951 11.613 168 2HB ALA 24 2HB ALA 24 -4.830 6.679 9.921 169 3HB ALA 24 3HB ALA 24 -5.448 5.613 11.206 170 H ILE 25 H ILE 25 -3.665 6.343 8.335 171 HA ILE 25 HA ILE 25 -3.986 3.790 6.992 172 HB ILE 25 HB ILE 25 -4.154 6.570 5.836 173 1HG1 ILE 25 1HG1 ILE 25 -5.703 6.519 7.670 174 2HG1 ILE 25 2HG1 ILE 25 -6.604 6.385 6.173 175 1HG2 ILE 25 1HG2 ILE 25 -5.639 5.410 4.186 176 2HG2 ILE 25 2HG2 ILE 25 -3.932 4.909 4.133 177 3HG2 ILE 25 3HG2 ILE 25 -5.143 3.862 4.911 178 1HD1 ILE 25 1HD1 ILE 25 -5.887 4.118 8.084 179 2HD1 ILE 25 2HD1 ILE 25 -7.510 4.757 7.728 180 3HD1 ILE 25 3HD1 ILE 25 -6.613 3.860 6.479 181 H CYS 26 H CYS 26 -2.040 2.756 6.757 182 HA CYS 26 HA CYS 26 0.336 4.220 6.260 183 1HB CYS 26 1HB CYS 26 1.433 2.109 6.176 184 2HB CYS 26 2HB CYS 26 0.277 2.083 7.493 185 H ALA 27 H ALA 27 -2.366 3.229 4.378 186 HA ALA 27 HA ALA 27 -1.155 2.508 1.972 187 1HB ALA 27 1HB ALA 27 -3.317 2.676 1.086 188 2HB ALA 27 2HB ALA 27 -3.633 2.399 2.815 189 3HB ALA 27 3HB ALA 27 -3.751 4.042 2.141 190 H THR 28 H THR 28 -1.967 5.691 3.434 191 HA THR 28 HA THR 28 -1.152 7.107 1.058 192 HB THR 28 HB THR 28 -1.900 9.033 2.299 193 HG1 THR 28 1HG THR 28 -1.573 7.177 4.552 194 1HG2 THR 28 1HG2 THR 28 -3.570 7.053 3.821 195 2HG2 THR 28 2HG2 THR 28 -4.085 8.454 2.851 196 3HG2 THR 28 3HG2 THR 28 -3.631 6.932 2.046 197 H TYR 29 H TYR 29 0.354 5.831 3.953 198 HA TYR 29 HA TYR 29 2.615 7.619 3.729 199 1HB TYR 29 1HB TYR 29 1.432 6.451 5.822 200 2HB TYR 29 2HB TYR 29 2.309 5.018 5.326 201 HD1 TYR 29 1HD TYR 29 2.943 8.641 6.080 202 HD2 TYR 29 2HD TYR 29 4.404 4.624 6.254 203 HE1 TYR 29 1HE TYR 29 4.982 9.431 7.377 204 HE2 TYR 29 2HE TYR 29 6.438 5.427 7.551 205 HH TYR 29 HH TYR 29 6.866 8.882 8.272 206 H THR 30 H THR 30 1.553 4.549 2.439 207 HA THR 30 HA THR 30 4.324 3.878 1.717 208 HB THR 30 HB THR 30 2.820 2.233 3.024 209 HG1 THR 30 1HG THR 30 3.814 1.737 0.307 210 1HG2 THR 30 1HG2 THR 30 0.860 1.483 2.109 211 2HG2 THR 30 2HG2 THR 30 0.973 2.839 0.962 212 3HG2 THR 30 3HG2 THR 30 1.632 1.245 0.523 213 H GLY 31 H GLY 31 1.262 5.057 0.513 214 1HA GLY 31 1HA GLY 31 1.158 6.141 -1.564 215 2HA GLY 31 2HA GLY 31 2.433 5.109 -2.181 216 H CYS 32 H CYS 32 1.412 2.556 -1.218 217 HA CYS 32 HA CYS 32 -0.174 1.848 -3.345 218 1HB CYS 32 1HB CYS 32 -0.104 0.430 -0.678 219 2HB CYS 32 2HB CYS 32 -0.497 -0.260 -2.240 220 H ILE 33 H ILE 33 -2.499 1.007 -3.232 221 HA ILE 33 HA ILE 33 -4.061 2.653 -1.366 222 HB ILE 33 HB ILE 33 -5.737 2.894 -3.100 223 1HG1 ILE 33 1HG1 ILE 33 -3.802 1.464 -4.946 224 2HG1 ILE 33 2HG1 ILE 33 -5.266 0.760 -4.288 225 1HG2 ILE 33 1HG2 ILE 33 -3.047 3.732 -4.202 226 2HG2 ILE 33 2HG2 ILE 33 -4.625 4.526 -4.426 227 3HG2 ILE 33 3HG2 ILE 33 -3.845 4.530 -2.825 228 1HD1 ILE 33 1HD1 ILE 33 -6.551 2.728 -5.322 229 2HD1 ILE 33 2HD1 ILE 33 -5.043 3.141 -6.173 230 3HD1 ILE 33 3HD1 ILE 33 -5.836 1.577 -6.477 231 H ILE 34 H ILE 34 -5.939 1.695 -0.453 232 HA ILE 34 HA ILE 34 -5.856 -1.225 -0.591 233 HB ILE 34 HB ILE 34 -7.025 0.657 1.461 234 1HG1 ILE 34 1HG1 ILE 34 -4.638 -1.194 1.693 235 2HG1 ILE 34 2HG1 ILE 34 -4.513 0.512 1.315 236 1HG2 ILE 34 1HG2 ILE 34 -7.483 -1.313 2.806 237 2HG2 ILE 34 2HG2 ILE 34 -8.346 -1.409 1.252 238 3HG2 ILE 34 3HG2 ILE 34 -6.870 -2.369 1.511 239 1HD1 ILE 34 1HD1 ILE 34 -4.217 0.302 3.701 240 2HD1 ILE 34 2HD1 ILE 34 -5.839 0.992 3.450 241 3HD1 ILE 34 3HD1 ILE 34 -5.658 -0.733 3.850 242 H ILE 35 H ILE 35 -7.491 -2.386 -1.498 243 HA ILE 35 HA ILE 35 -10.022 -0.997 -1.946 244 HB ILE 35 HB ILE 35 -10.036 -1.214 -4.182 245 1HG1 ILE 35 1HG1 ILE 35 -9.827 -3.707 -4.059 246 2HG1 ILE 35 2HG1 ILE 35 -9.111 -2.977 -5.482 247 1HG2 ILE 35 1HG2 ILE 35 -7.068 -1.152 -3.585 248 2HG2 ILE 35 2HG2 ILE 35 -7.793 -0.778 -5.167 249 3HG2 ILE 35 3HG2 ILE 35 -8.169 0.236 -3.754 250 1HD1 ILE 35 1HD1 ILE 35 -6.861 -3.058 -4.391 251 2HD1 ILE 35 2HD1 ILE 35 -7.600 -3.836 -2.971 252 3HD1 ILE 35 3HD1 ILE 35 -7.591 -4.675 -4.541 253 HA PRO 36 HA PRO 36 -11.667 -4.799 -0.741 254 1HB PRO 36 1HB PRO 36 -14.085 -4.853 -2.012 255 2HB PRO 36 2HB PRO 36 -13.790 -3.928 -0.553 256 1HG PRO 36 1HG PRO 36 -14.050 -2.966 -3.336 257 2HG PRO 36 2HG PRO 36 -14.181 -2.057 -1.844 258 1HD PRO 36 1HD PRO 36 -11.946 -2.093 -3.641 259 2HD PRO 36 2HD PRO 36 -12.033 -1.277 -2.093 260 H GLY 37 H GLY 37 -13.083 -4.832 -3.949 261 1HA GLY 37 1HA GLY 37 -11.747 -7.425 -4.364 262 2HA GLY 37 2HA GLY 37 -13.221 -6.875 -5.135 263 H ALA 38 H ALA 38 -12.640 -6.960 -7.307 264 HA ALA 38 HA ALA 38 -10.097 -5.935 -8.153 265 1HB ALA 38 1HB ALA 38 -11.137 -7.894 -9.221 266 2HB ALA 38 2HB ALA 38 -12.538 -6.903 -9.696 267 3HB ALA 38 3HB ALA 38 -10.934 -6.571 -10.394 268 H THR 39 H THR 39 -10.688 -3.784 -6.970 269 HA THR 39 HA THR 39 -12.318 -2.103 -8.747 270 HB THR 39 HB THR 39 -11.338 -1.590 -5.891 271 HG1 THR 39 1HG THR 39 -12.773 -3.463 -6.095 272 1HG2 THR 39 1HG2 THR 39 -13.584 -0.393 -7.599 273 2HG2 THR 39 2HG2 THR 39 -13.330 -0.052 -5.871 274 3HG2 THR 39 3HG2 THR 39 -12.115 0.459 -7.066 275 H CYS 40 H CYS 40 -9.146 -3.065 -8.319 276 HA CYS 40 HA CYS 40 -7.784 -0.643 -8.336 277 1HB CYS 40 1HB CYS 40 -6.963 -3.280 -9.571 278 2HB CYS 40 2HB CYS 40 -5.898 -1.929 -9.238 279 HA PRO 41 HA PRO 41 -8.437 0.699 -12.428 280 1HB PRO 41 1HB PRO 41 -6.188 2.172 -12.920 281 2HB PRO 41 2HB PRO 41 -7.543 2.774 -11.986 282 1HG PRO 41 1HG PRO 41 -4.900 1.851 -11.034 283 2HG PRO 41 2HG PRO 41 -6.086 2.834 -10.198 284 1HD PRO 41 1HD PRO 41 -5.554 0.048 -9.767 285 2HD PRO 41 2HD PRO 41 -6.817 1.003 -9.015 286 H GLY 42 H GLY 42 -5.622 -1.141 -11.730 287 1HA GLY 42 1HA GLY 42 -5.015 -2.979 -13.029 288 2HA GLY 42 2HA GLY 42 -5.790 -2.267 -14.431 289 H ASP 43 H ASP 43 -4.584 0.461 -13.892 290 HA ASP 43 HA ASP 43 -2.361 0.162 -15.492 291 1HB ASP 43 1HB ASP 43 -3.067 2.429 -13.568 292 2HB ASP 43 2HB ASP 43 -1.886 2.550 -14.857 293 HD2 ASP 43 HD ASP 43 -3.433 4.265 -15.017 294 H TYR 44 H TYR 44 -2.871 -0.053 -12.002 295 HA TYR 44 HA TYR 44 -0.198 0.489 -11.211 296 1HB TYR 44 1HB TYR 44 -2.748 -0.784 -10.109 297 2HB TYR 44 2HB TYR 44 -1.274 -0.938 -9.174 298 HD1 TYR 44 1HD TYR 44 -1.895 0.356 -7.274 299 HD2 TYR 44 2HD TYR 44 -2.213 2.040 -11.195 300 HE1 TYR 44 1HE TYR 44 -2.302 2.653 -6.263 301 HE2 TYR 44 2HE TYR 44 -2.618 4.331 -10.170 302 HH TYR 44 HH TYR 44 -2.620 4.752 -6.639 303 H ALA 45 H ALA 45 -1.782 -2.231 -12.698 304 HA ALA 45 HA ALA 45 -0.945 -4.175 -13.380 305 1HB ALA 45 1HB ALA 45 1.354 -4.528 -13.486 306 2HB ALA 45 2HB ALA 45 1.281 -2.757 -13.331 307 3HB ALA 45 3HB ALA 45 1.652 -3.760 -11.908 308 H ASN 46 H ASN 46 0.569 -3.618 -10.116 309 HA ASN 46 HA ASN 46 -0.624 -6.136 -9.321 310 1HB ASN 46 1HB ASN 46 0.964 -6.030 -7.408 311 2HB ASN 46 2HB ASN 46 1.823 -5.831 -8.922 312 1HD2 ASN 46 2HD2 ASN 46 2.629 -3.804 -9.527 313 2HD2 ASN 46 1HD2 ASN 46 2.549 -2.379 -8.547 Start of MODEL 4 1 H THR 1 H THR 1 -3.877 8.011 1.349 2 HA THR 1 HA THR 1 -1.658 7.099 0.315 3 HB THR 1 HB THR 1 -1.779 8.374 3.098 4 HG1 THR 1 1HG THR 1 -1.887 9.391 0.345 5 1HG2 THR 1 1HG2 THR 1 0.196 8.619 0.767 6 2HG2 THR 1 2HG2 THR 1 0.224 9.623 2.236 7 3HG2 THR 1 3HG2 THR 1 0.541 7.875 2.347 8 H THR 2 H THR 2 -0.983 5.033 0.171 9 HA THR 2 HA THR 2 -0.796 3.515 2.675 10 HB THR 2 HB THR 2 -0.643 2.628 -0.254 11 HG1 THR 2 1HG THR 2 -2.874 1.806 0.667 12 1HG2 THR 2 1HG2 THR 2 0.344 1.045 1.516 13 2HG2 THR 2 2HG2 THR 2 -1.266 1.021 2.274 14 3HG2 THR 2 3HG2 THR 2 -1.050 0.390 0.623 15 H CYS 3 H CYS 3 1.114 2.629 3.429 16 HA CYS 3 HA CYS 3 3.487 3.696 2.083 17 1HB CYS 3 1HB CYS 3 2.918 3.197 5.002 18 2HB CYS 3 2HB CYS 3 4.549 3.384 4.389 19 H CYS 4 H CYS 4 5.341 2.240 1.923 20 HA CYS 4 HA CYS 4 4.784 -0.529 2.626 21 1HB CYS 4 1HB CYS 4 4.656 0.479 -0.033 22 2HB CYS 4 2HB CYS 4 6.108 -0.495 0.090 23 HA PRO 5 HA PRO 5 9.028 -0.417 3.606 24 1HB PRO 5 1HB PRO 5 9.900 -2.957 3.104 25 2HB PRO 5 2HB PRO 5 8.993 -2.522 4.538 26 1HG PRO 5 1HG PRO 5 8.074 -3.982 2.138 27 2HG PRO 5 2HG PRO 5 7.338 -3.907 3.726 28 1HD PRO 5 1HD PRO 5 6.487 -2.506 1.372 29 2HD PRO 5 2HD PRO 5 5.823 -2.344 2.986 30 H SER 6 H SER 6 8.168 -1.197 0.404 31 HA SER 6 HA SER 6 10.689 -0.031 -0.404 32 1HB SER 6 1HB SER 6 9.591 -2.616 -1.597 33 2HB SER 6 2HB SER 6 11.009 -1.757 -2.164 34 HG SER 6 HG SER 6 11.904 -2.074 0.060 35 H ILE 7 H ILE 7 10.540 1.147 -2.401 36 HA ILE 7 HA ILE 7 8.007 2.165 -2.985 37 HB ILE 7 HB ILE 7 9.117 3.327 -4.796 38 1HG1 ILE 7 1HG1 ILE 7 11.509 1.549 -4.232 39 2HG1 ILE 7 2HG1 ILE 7 10.473 1.444 -5.641 40 1HG2 ILE 7 1HG2 ILE 7 9.419 3.925 -2.317 41 2HG2 ILE 7 2HG2 ILE 7 11.065 3.270 -2.496 42 3HG2 ILE 7 3HG2 ILE 7 10.542 4.647 -3.495 43 1HD1 ILE 7 1HD1 ILE 7 12.396 2.751 -6.286 44 2HD1 ILE 7 2HD1 ILE 7 11.038 3.892 -6.128 45 3HD1 ILE 7 3HD1 ILE 7 12.260 3.778 -4.839 46 H VAL 8 H VAL 8 9.798 -0.644 -4.170 47 HA VAL 8 HA VAL 8 8.385 -0.967 -6.578 48 HB VAL 8 HB VAL 8 9.896 -2.865 -4.780 49 1HG1 VAL 8 1HG1 VAL 8 8.691 -3.353 -7.521 50 2HG1 VAL 8 2HG1 VAL 8 9.950 -4.379 -6.792 51 3HG1 VAL 8 3HG1 VAL 8 8.358 -4.233 -6.010 52 1HG2 VAL 8 1HG2 VAL 8 10.625 -1.488 -7.387 53 2HG2 VAL 8 2HG2 VAL 8 11.270 -1.116 -5.771 54 3HG2 VAL 8 3HG2 VAL 8 11.634 -2.682 -6.535 55 H ALA 9 H ALA 9 7.943 -2.365 -3.260 56 HA ALA 9 HA ALA 9 5.665 -3.852 -3.941 57 1HB ALA 9 1HB ALA 9 7.036 -4.314 -1.968 58 2HB ALA 9 2HB ALA 9 6.632 -2.721 -1.284 59 3HB ALA 9 3HB ALA 9 5.365 -3.957 -1.469 60 H ARG 10 H ARG 10 6.221 -0.441 -3.150 61 HA ARG 10 HA ARG 10 3.569 0.107 -2.457 62 1HB ARG 10 1HB ARG 10 5.779 1.501 -2.083 63 2HB ARG 10 2HB ARG 10 5.469 2.144 -3.684 64 1HG ARG 10 1HG ARG 10 3.185 2.871 -2.938 65 2HG ARG 10 2HG ARG 10 3.517 2.249 -1.334 66 1HD ARG 10 1HD ARG 10 5.664 3.817 -1.471 67 2HD ARG 10 2HD ARG 10 4.762 4.634 -2.732 68 HE ARG 10 HE ARG 10 2.939 4.374 -0.626 69 1HH1 ARG 10 2HH2 ARG 10 5.979 6.026 -1.242 70 2HH1 ARG 10 1HH2 ARG 10 5.829 7.088 0.118 71 1HH2 ARG 10 2HH1 ARG 10 2.661 5.878 1.077 72 2HH2 ARG 10 1HH1 ARG 10 3.903 7.037 1.417 73 H SER 11 H SER 11 5.469 0.189 -5.514 74 HA SER 11 HA SER 11 3.427 1.434 -6.993 75 1HB SER 11 1HB SER 11 4.862 0.388 -8.955 76 2HB SER 11 2HB SER 11 5.510 1.701 -7.993 77 HG SER 11 HG SER 11 5.999 -1.107 -7.466 78 H ASN 12 H ASN 12 4.122 -1.855 -5.948 79 HA ASN 12 HA ASN 12 2.686 -3.142 -7.988 80 1HB ASN 12 1HB ASN 12 3.846 -3.880 -5.306 81 2HB ASN 12 2HB ASN 12 2.593 -4.938 -5.926 82 1HD2 ASN 12 2HD2 ASN 12 5.411 -3.137 -7.170 83 2HD2 ASN 12 1HD2 ASN 12 6.064 -4.405 -8.153 84 H PHE 13 H PHE 13 1.844 -1.276 -5.178 85 HA PHE 13 HA PHE 13 -0.702 -2.599 -4.788 86 1HB PHE 13 1HB PHE 13 0.886 -1.601 -2.978 87 2HB PHE 13 2HB PHE 13 0.475 -0.017 -3.603 88 HD1 PHE 13 1HD PHE 13 -0.931 -3.020 -1.965 89 HD2 PHE 13 2HD PHE 13 -1.535 1.058 -2.972 90 HE1 PHE 13 1HE PHE 13 -2.937 -2.945 -0.458 91 HE2 PHE 13 2HE PHE 13 -3.541 1.133 -1.465 92 HZ PHE 13 HZ PHE 13 -4.218 -0.870 -0.226 93 H ASN 14 H ASN 14 0.512 -0.479 -7.051 94 HA ASN 14 HA ASN 14 -1.329 1.584 -7.018 95 1HB ASN 14 1HB ASN 14 0.268 0.280 -9.276 96 2HB ASN 14 2HB ASN 14 -0.728 1.695 -9.548 97 1HD2 ASN 14 2HD2 ASN 14 1.822 1.965 -10.117 98 2HD2 ASN 14 1HD2 ASN 14 2.668 2.938 -8.961 99 H VAL 15 H VAL 15 -1.412 -1.785 -8.164 100 HA VAL 15 HA VAL 15 -3.670 -1.469 -9.863 101 HB VAL 15 HB VAL 15 -3.599 -3.843 -10.043 102 1HG1 VAL 15 1HG1 VAL 15 -1.424 -4.162 -10.901 103 2HG1 VAL 15 2HG1 VAL 15 -1.717 -2.411 -11.033 104 3HG1 VAL 15 3HG1 VAL 15 -0.699 -3.047 -9.718 105 1HG2 VAL 15 1HG2 VAL 15 -3.467 -4.611 -7.808 106 2HG2 VAL 15 2HG2 VAL 15 -1.967 -5.166 -8.589 107 3HG2 VAL 15 3HG2 VAL 15 -1.938 -3.748 -7.514 108 H CYS 16 H CYS 16 -3.154 -1.681 -6.422 109 HA CYS 16 HA CYS 16 -5.764 -2.741 -5.886 110 1HB CYS 16 1HB CYS 16 -3.457 -2.799 -4.499 111 2HB CYS 16 2HB CYS 16 -4.199 -1.400 -3.748 112 H ARG 17 H ARG 17 -4.037 0.404 -6.012 113 HA ARG 17 HA ARG 17 -6.152 1.843 -4.854 114 1HB ARG 17 1HB ARG 17 -3.664 2.589 -6.435 115 2HB ARG 17 2HB ARG 17 -4.838 3.822 -6.021 116 1HG ARG 17 1HG ARG 17 -3.834 1.965 -3.851 117 2HG ARG 17 2HG ARG 17 -2.808 3.282 -4.382 118 1HD ARG 17 1HD ARG 17 -4.622 4.920 -3.887 119 2HD ARG 17 2HD ARG 17 -5.687 3.615 -3.406 120 HE ARG 17 HE ARG 17 -3.275 3.396 -1.888 121 1HH1 ARG 17 2HH2 ARG 17 -5.982 5.615 -2.233 122 2HH1 ARG 17 1HH2 ARG 17 -5.948 6.117 -0.575 123 1HH2 ARG 17 2HH1 ARG 17 -3.324 3.952 0.334 124 2HH2 ARG 17 1HH1 ARG 17 -4.362 5.229 0.872 125 H LEU 18 H LEU 18 -5.004 1.229 -8.232 126 HA LEU 18 HA LEU 18 -7.100 2.811 -9.369 127 1HB LEU 18 1HB LEU 18 -4.816 1.176 -10.350 128 2HB LEU 18 2HB LEU 18 -6.151 1.444 -11.453 129 HG LEU 18 HG LEU 18 -5.888 3.905 -11.118 130 1HD1 LEU 18 1HD1 LEU 18 -4.862 3.951 -8.935 131 2HD1 LEU 18 2HD1 LEU 18 -3.434 3.080 -9.544 132 3HD1 LEU 18 3HD1 LEU 18 -3.779 4.731 -10.112 133 1HD2 LEU 18 1HD2 LEU 18 -3.869 4.123 -12.499 134 2HD2 LEU 18 2HD2 LEU 18 -3.442 2.433 -12.137 135 3HD2 LEU 18 3HD2 LEU 18 -4.920 2.800 -13.059 136 HA PRO 19 HA PRO 19 -10.106 -0.262 -9.734 137 1HB PRO 19 1HB PRO 19 -11.376 0.377 -12.068 138 2HB PRO 19 2HB PRO 19 -11.663 1.220 -10.559 139 1HG PRO 19 1HG PRO 19 -10.120 2.113 -12.917 140 2HG PRO 19 2HG PRO 19 -10.770 3.073 -11.603 141 1HD PRO 19 1HD PRO 19 -8.034 2.293 -11.968 142 2HD PRO 19 2HD PRO 19 -8.705 3.153 -10.596 143 H GLY 20 H GLY 20 -7.467 -0.278 -11.664 144 1HA GLY 20 1HA GLY 20 -7.969 -2.063 -13.679 145 2HA GLY 20 2HA GLY 20 -6.462 -1.945 -12.793 146 H THR 21 H THR 21 -7.370 -2.728 -10.172 147 HA THR 21 HA THR 21 -8.448 -5.417 -10.621 148 HB THR 21 HB THR 21 -5.875 -4.704 -9.116 149 HG1 THR 21 1HG THR 21 -6.605 -6.231 -11.517 150 1HG2 THR 21 1HG2 THR 21 -7.013 -6.633 -8.043 151 2HG2 THR 21 2HG2 THR 21 -7.276 -7.380 -9.636 152 3HG2 THR 21 3HG2 THR 21 -5.624 -7.209 -8.996 153 H SER 22 H SER 22 -7.034 -3.690 -7.778 154 HA SER 22 HA SER 22 -7.860 -3.613 -5.730 155 1HB SER 22 1HB SER 22 -8.676 -1.547 -7.092 156 2HB SER 22 2HB SER 22 -10.262 -2.291 -7.040 157 HG SER 22 HG SER 22 -8.695 -1.213 -4.906 158 H GLU 23 H GLU 23 -8.260 -6.148 -6.124 159 HA GLU 23 HA GLU 23 -11.056 -6.781 -6.180 160 1HB GLU 23 1HB GLU 23 -8.505 -8.424 -6.076 161 2HB GLU 23 2HB GLU 23 -10.070 -9.176 -5.841 162 1HG GLU 23 1HG GLU 23 -10.843 -8.390 -8.041 163 2HG GLU 23 2HG GLU 23 -9.377 -7.456 -8.267 164 HE2 GLU 23 HE GLU 23 -9.713 -8.904 -10.076 165 H ALA 24 H ALA 24 -8.260 -7.001 -3.888 166 HA ALA 24 HA ALA 24 -10.089 -6.695 -1.684 167 1HB ALA 24 1HB ALA 24 -8.298 -9.141 -1.709 168 2HB ALA 24 2HB ALA 24 -9.645 -8.758 -0.609 169 3HB ALA 24 3HB ALA 24 -9.976 -9.201 -2.301 170 H ILE 25 H ILE 25 -8.204 -7.492 0.339 171 HA ILE 25 HA ILE 25 -6.572 -5.189 0.332 172 HB ILE 25 HB ILE 25 -6.672 -7.614 2.127 173 1HG1 ILE 25 1HG1 ILE 25 -7.662 -4.868 2.833 174 2HG1 ILE 25 2HG1 ILE 25 -8.660 -5.914 1.844 175 1HG2 ILE 25 1HG2 ILE 25 -5.452 -6.163 3.759 176 2HG2 ILE 25 2HG2 ILE 25 -4.484 -6.675 2.356 177 3HG2 ILE 25 3HG2 ILE 25 -5.138 -5.022 2.430 178 1HD1 ILE 25 1HD1 ILE 25 -7.508 -6.634 4.579 179 2HD1 ILE 25 2HD1 ILE 25 -9.202 -6.209 4.236 180 3HD1 ILE 25 3HD1 ILE 25 -8.508 -7.708 3.572 181 H CYS 26 H CYS 26 -4.938 -4.978 -1.123 182 HA CYS 26 HA CYS 26 -3.422 -7.336 -1.826 183 1HB CYS 26 1HB CYS 26 -2.784 -4.605 -2.864 184 2HB CYS 26 2HB CYS 26 -2.624 -6.166 -3.645 185 H ALA 27 H ALA 27 -3.488 -5.178 0.710 186 HA ALA 27 HA ALA 27 -0.793 -4.366 0.882 187 1HB ALA 27 1HB ALA 27 -1.400 -3.726 3.150 188 2HB ALA 27 2HB ALA 27 -2.745 -3.320 2.057 189 3HB ALA 27 3HB ALA 27 -2.846 -4.762 3.095 190 H THR 28 H THR 28 -2.526 -7.364 1.558 191 HA THR 28 HA THR 28 -0.338 -8.393 3.175 192 HB THR 28 HB THR 28 -2.910 -9.740 2.202 193 HG1 THR 28 1HG THR 28 -3.754 -8.811 4.158 194 1HG2 THR 28 1HG2 THR 28 -1.132 -10.176 4.661 195 2HG2 THR 28 2HG2 THR 28 -2.637 -11.054 4.298 196 3HG2 THR 28 3HG2 THR 28 -1.210 -11.265 3.255 197 H TYR 29 H TYR 29 -1.202 -8.129 -0.150 198 HA TYR 29 HA TYR 29 0.223 -10.550 -0.880 199 1HB TYR 29 1HB TYR 29 -1.313 -8.264 -2.230 200 2HB TYR 29 2HB TYR 29 -0.385 -9.380 -3.211 201 HD1 TYR 29 1HD TYR 29 -1.462 -11.251 -4.070 202 HD2 TYR 29 2HD TYR 29 -2.989 -9.443 -0.506 203 HE1 TYR 29 1HE TYR 29 -3.430 -12.862 -4.087 204 HE2 TYR 29 2HE TYR 29 -4.951 -11.059 -0.535 205 HH TYR 29 HH TYR 29 -5.244 -13.493 -3.113 206 H THR 30 H THR 30 0.649 -7.003 -0.786 207 HA THR 30 HA THR 30 3.250 -7.314 -2.107 208 HB THR 30 HB THR 30 1.405 -5.610 -2.834 209 HG1 THR 30 1HG THR 30 3.647 -5.454 -3.477 210 1HG2 THR 30 1HG2 THR 30 0.961 -4.749 -0.473 211 2HG2 THR 30 2HG2 THR 30 2.624 -4.115 -0.455 212 3HG2 THR 30 3HG2 THR 30 1.441 -3.475 -1.621 213 H GLY 31 H GLY 31 1.673 -6.536 0.976 214 1HA GLY 31 1HA GLY 31 2.777 -6.880 3.008 215 2HA GLY 31 2HA GLY 31 4.324 -6.606 2.232 216 H CYS 32 H CYS 32 1.405 -4.559 1.769 217 HA CYS 32 HA CYS 32 2.961 -2.302 2.687 218 1HB CYS 32 1HB CYS 32 0.515 -2.689 1.041 219 2HB CYS 32 2HB CYS 32 0.619 -1.205 1.967 220 H ILE 33 H ILE 33 1.497 -0.609 4.016 221 HA ILE 33 HA ILE 33 0.032 -2.137 6.052 222 HB ILE 33 HB ILE 33 0.941 -0.492 7.699 223 1HG1 ILE 33 1HG1 ILE 33 2.976 0.149 5.548 224 2HG1 ILE 33 2HG1 ILE 33 1.625 1.193 5.945 225 1HG2 ILE 33 1HG2 ILE 33 1.771 -2.812 7.466 226 2HG2 ILE 33 2HG2 ILE 33 3.011 -2.230 6.329 227 3HG2 ILE 33 3HG2 ILE 33 3.024 -1.674 8.020 228 1HD1 ILE 33 1HD1 ILE 33 2.444 1.132 8.384 229 2HD1 ILE 33 2HD1 ILE 33 3.923 0.363 7.761 230 3HD1 ILE 33 3HD1 ILE 33 3.483 2.004 7.231 231 H ILE 34 H ILE 34 -1.718 -0.979 7.102 232 HA ILE 34 HA ILE 34 -2.788 1.083 5.325 233 HB ILE 34 HB ILE 34 -4.100 -0.754 7.329 234 1HG1 ILE 34 1HG1 ILE 34 -4.643 -0.669 4.371 235 2HG1 ILE 34 2HG1 ILE 34 -3.259 -1.553 4.982 236 1HG2 ILE 34 1HG2 ILE 34 -5.284 1.468 5.648 237 2HG2 ILE 34 2HG2 ILE 34 -6.240 0.187 6.431 238 3HG2 ILE 34 3HG2 ILE 34 -5.287 1.318 7.422 239 1HD1 ILE 34 1HD1 ILE 34 -6.161 -1.964 5.839 240 2HD1 ILE 34 2HD1 ILE 34 -5.200 -3.055 4.811 241 3HD1 ILE 34 3HD1 ILE 34 -4.766 -2.833 6.523 242 H ILE 35 H ILE 35 -3.622 3.065 6.172 243 HA ILE 35 HA ILE 35 -2.344 3.771 8.705 244 HB ILE 35 HB ILE 35 -2.334 5.995 7.967 245 1HG1 ILE 35 1HG1 ILE 35 -4.164 5.189 5.686 246 2HG1 ILE 35 2HG1 ILE 35 -4.649 6.076 7.118 247 1HG2 ILE 35 1HG2 ILE 35 -0.969 5.913 6.049 248 2HG2 ILE 35 2HG2 ILE 35 -0.738 4.347 6.865 249 3HG2 ILE 35 3HG2 ILE 35 -1.782 4.457 5.427 250 1HD1 ILE 35 1HD1 ILE 35 -4.265 7.737 5.434 251 2HD1 ILE 35 2HD1 ILE 35 -2.841 7.811 6.500 252 3HD1 ILE 35 3HD1 ILE 35 -2.736 6.978 4.930 253 HA PRO 36 HA PRO 36 -6.212 4.028 10.609 254 1HB PRO 36 1HB PRO 36 -5.612 5.610 12.755 255 2HB PRO 36 2HB PRO 36 -5.263 3.893 12.703 256 1HG PRO 36 1HG PRO 36 -3.402 6.173 12.421 257 2HG PRO 36 2HG PRO 36 -3.040 4.499 12.794 258 1HD PRO 36 1HD PRO 36 -2.675 5.812 10.270 259 2HD PRO 36 2HD PRO 36 -2.422 4.112 10.613 260 H GLY 37 H GLY 37 -6.494 5.351 8.400 261 1HA GLY 37 1HA GLY 37 -7.401 7.171 7.421 262 2HA GLY 37 2HA GLY 37 -8.441 7.190 8.831 263 H ALA 38 H ALA 38 -4.883 7.841 8.494 264 HA ALA 38 HA ALA 38 -5.291 10.647 8.940 265 1HB ALA 38 1HB ALA 38 -4.265 8.798 11.106 266 2HB ALA 38 2HB ALA 38 -3.746 10.499 11.028 267 3HB ALA 38 3HB ALA 38 -5.470 10.103 11.225 268 H THR 39 H THR 39 -2.427 8.869 10.077 269 HA THR 39 HA THR 39 -1.111 9.286 7.501 270 HB THR 39 HB THR 39 -0.014 10.333 10.162 271 HG1 THR 39 1HG THR 39 -1.328 11.526 7.824 272 1HG2 THR 39 1HG2 THR 39 0.806 10.673 7.231 273 2HG2 THR 39 2HG2 THR 39 1.437 11.678 8.559 274 3HG2 THR 39 3HG2 THR 39 1.776 9.930 8.526 275 H CYS 40 H CYS 40 0.944 8.110 7.310 276 HA CYS 40 HA CYS 40 0.647 5.502 8.179 277 1HB CYS 40 1HB CYS 40 3.053 6.986 7.113 278 2HB CYS 40 2HB CYS 40 3.059 5.265 7.444 279 HA PRO 41 HA PRO 41 2.351 5.729 12.186 280 1HB PRO 41 1HB PRO 41 2.936 3.098 12.637 281 2HB PRO 41 2HB PRO 41 1.325 3.765 12.813 282 1HG PRO 41 1HG PRO 41 2.402 2.069 10.645 283 2HG PRO 41 2HG PRO 41 0.730 2.388 11.062 284 1HD PRO 41 1HD PRO 41 2.202 3.526 8.879 285 2HD PRO 41 2HD PRO 41 0.568 3.931 9.366 286 H GLY 42 H GLY 42 4.316 4.609 13.548 287 1HA GLY 42 1HA GLY 42 6.617 5.716 12.206 288 2HA GLY 42 2HA GLY 42 6.532 5.053 13.826 289 H ASP 43 H ASP 43 5.799 3.684 10.534 290 HA ASP 43 HA ASP 43 7.511 1.455 11.290 291 1HB ASP 43 1HB ASP 43 5.097 1.734 9.482 292 2HB ASP 43 2HB ASP 43 6.232 0.433 9.187 293 HD2 ASP 43 HD ASP 43 4.754 1.878 11.859 294 H TYR 44 H TYR 44 6.332 3.277 8.350 295 HA TYR 44 HA TYR 44 9.067 3.082 7.277 296 1HB TYR 44 1HB TYR 44 6.318 3.213 5.887 297 2HB TYR 44 2HB TYR 44 7.849 3.037 5.053 298 HD1 TYR 44 1HD TYR 44 5.184 1.234 5.294 299 HD2 TYR 44 2HD TYR 44 9.168 0.993 6.835 300 HE1 TYR 44 1HE TYR 44 4.980 -1.295 5.444 301 HE2 TYR 44 2HE TYR 44 8.951 -1.536 6.980 302 HH TYR 44 HH TYR 44 7.663 -3.247 6.723 303 H ALA 45 H ALA 45 5.972 4.980 7.236 304 HA ALA 45 HA ALA 45 5.581 7.131 6.848 305 1HB ALA 45 1HB ALA 45 6.972 8.694 8.142 306 2HB ALA 45 2HB ALA 45 6.650 7.219 9.084 307 3HB ALA 45 3HB ALA 45 8.235 7.452 8.308 308 H ASN 46 H ASN 46 6.335 6.053 4.530 309 HA ASN 46 HA ASN 46 8.553 7.632 3.548 310 1HB ASN 46 1HB ASN 46 8.444 5.163 3.024 311 2HB ASN 46 2HB ASN 46 6.924 5.419 2.189 312 1HD2 ASN 46 2HD2 ASN 46 10.364 6.068 2.205 313 2HD2 ASN 46 1HD2 ASN 46 10.543 6.473 0.530 Start of MODEL 5 1 H THR 1 H THR 1 -4.824 -3.469 -7.456 2 HA THR 1 HA THR 1 -2.604 -5.201 -6.833 3 HB THR 1 HB THR 1 -2.608 -5.629 -9.197 4 HG1 THR 1 1HG THR 1 -0.524 -4.907 -8.582 5 1HG2 THR 1 1HG2 THR 1 -3.074 -2.617 -9.520 6 2HG2 THR 1 2HG2 THR 1 -2.674 -3.723 -10.857 7 3HG2 THR 1 3HG2 THR 1 -4.210 -3.910 -9.976 8 H THR 2 H THR 2 -1.088 -4.149 -5.666 9 HA THR 2 HA THR 2 -1.003 -1.235 -5.869 10 HB THR 2 HB THR 2 -1.298 -2.729 -3.214 11 HG1 THR 2 1HG THR 2 -3.314 -2.852 -4.269 12 1HG2 THR 2 1HG2 THR 2 -1.748 0.209 -3.946 13 2HG2 THR 2 2HG2 THR 2 -1.791 -0.507 -2.317 14 3HG2 THR 2 3HG2 THR 2 -0.249 -0.393 -3.199 15 H CYS 3 H CYS 3 0.998 -0.318 -5.439 16 HA CYS 3 HA CYS 3 3.105 -2.309 -5.004 17 1HB CYS 3 1HB CYS 3 2.917 0.027 -6.855 18 2HB CYS 3 2HB CYS 3 4.484 -0.368 -6.176 19 H CYS 4 H CYS 4 4.787 -1.722 -3.507 20 HA CYS 4 HA CYS 4 4.216 0.724 -1.997 21 1HB CYS 4 1HB CYS 4 4.285 -2.022 -1.088 22 2HB CYS 4 2HB CYS 4 5.513 -1.075 -0.271 23 HA PRO 5 HA PRO 5 8.452 1.548 -2.586 24 1HB PRO 5 1HB PRO 5 9.156 2.930 -0.335 25 2HB PRO 5 2HB PRO 5 8.282 3.654 -1.671 26 1HG PRO 5 1HG PRO 5 7.265 2.833 0.980 27 2HG PRO 5 2HG PRO 5 6.539 3.922 -0.185 28 1HD PRO 5 1HD PRO 5 5.775 1.206 0.335 29 2HD PRO 5 2HD PRO 5 5.127 2.257 -0.909 30 H SER 6 H SER 6 7.608 -0.138 0.306 31 HA SER 6 HA SER 6 10.064 -1.614 -0.023 32 1HB SER 6 1HB SER 6 10.759 -1.407 2.269 33 2HB SER 6 2HB SER 6 10.481 0.220 1.682 34 HG SER 6 HG SER 6 9.497 0.018 3.730 35 H ILE 7 H ILE 7 9.999 -3.679 1.394 36 HA ILE 7 HA ILE 7 7.430 -4.861 1.067 37 HB ILE 7 HB ILE 7 9.651 -5.956 0.680 38 1HG1 ILE 7 1HG1 ILE 7 7.280 -7.039 1.217 39 2HG1 ILE 7 2HG1 ILE 7 8.714 -8.007 0.942 40 1HG2 ILE 7 1HG2 ILE 7 10.871 -5.211 2.617 41 2HG2 ILE 7 2HG2 ILE 7 9.710 -6.003 3.708 42 3HG2 ILE 7 3HG2 ILE 7 10.752 -6.987 2.653 43 1HD1 ILE 7 1HD1 ILE 7 7.843 -7.088 3.716 44 2HD1 ILE 7 2HD1 ILE 7 7.376 -8.652 3.006 45 3HD1 ILE 7 3HD1 ILE 7 9.091 -8.295 3.321 46 H VAL 8 H VAL 8 9.246 -3.333 3.697 47 HA VAL 8 HA VAL 8 7.793 -4.456 5.821 48 HB VAL 8 HB VAL 8 9.362 -1.897 5.495 49 1HG1 VAL 8 1HG1 VAL 8 9.399 -1.862 8.016 50 2HG1 VAL 8 2HG1 VAL 8 7.825 -1.472 7.282 51 3HG1 VAL 8 3HG1 VAL 8 8.104 -3.083 7.987 52 1HG2 VAL 8 1HG2 VAL 8 10.688 -3.930 5.279 53 2HG2 VAL 8 2HG2 VAL 8 11.065 -3.112 6.815 54 3HG2 VAL 8 3HG2 VAL 8 10.023 -4.555 6.808 55 H ALA 9 H ALA 9 7.260 -1.656 3.646 56 HA ALA 9 HA ALA 9 5.190 -0.480 5.101 57 1HB ALA 9 1HB ALA 9 6.402 0.633 3.280 58 2HB ALA 9 2HB ALA 9 5.752 -0.539 2.108 59 3HB ALA 9 3HB ALA 9 4.658 0.601 2.928 60 H ARG 10 H ARG 10 5.348 -3.338 3.008 61 HA ARG 10 HA ARG 10 2.638 -3.475 2.437 62 1HB ARG 10 1HB ARG 10 4.641 -4.795 1.410 63 2HB ARG 10 2HB ARG 10 4.476 -5.887 2.770 64 1HG ARG 10 1HG ARG 10 3.123 -6.920 1.144 65 2HG ARG 10 2HG ARG 10 1.945 -6.027 2.086 66 1HD ARG 10 1HD ARG 10 1.452 -5.586 -0.242 67 2HD ARG 10 2HD ARG 10 2.151 -4.117 0.410 68 HE ARG 10 HE ARG 10 4.277 -5.716 -0.632 69 1HH1 ARG 10 2HH2 ARG 10 1.485 -3.910 -1.792 70 2HH1 ARG 10 1HH2 ARG 10 2.146 -3.668 -3.374 71 1HH2 ARG 10 2HH1 ARG 10 5.238 -5.184 -2.637 72 2HH2 ARG 10 1HH1 ARG 10 4.379 -4.198 -3.773 73 H SER 11 H SER 11 4.565 -4.281 5.289 74 HA SER 11 HA SER 11 2.655 -6.049 6.394 75 1HB SER 11 1HB SER 11 5.121 -6.046 6.937 76 2HB SER 11 2HB SER 11 4.905 -4.525 7.779 77 HG SER 11 HG SER 11 3.751 -7.091 8.445 78 H ASN 12 H ASN 12 3.300 -2.547 6.444 79 HA ASN 12 HA ASN 12 1.655 -2.050 8.680 80 1HB ASN 12 1HB ASN 12 2.658 -0.208 6.445 81 2HB ASN 12 2HB ASN 12 1.852 0.363 7.893 82 1HD2 ASN 12 2HD2 ASN 12 2.799 -0.203 9.978 83 2HD2 ASN 12 1HD2 ASN 12 4.520 -0.300 10.141 84 H PHE 13 H PHE 13 1.126 -2.855 5.365 85 HA PHE 13 HA PHE 13 -1.344 -1.367 5.130 86 1HB PHE 13 1HB PHE 13 0.223 -1.671 3.200 87 2HB PHE 13 2HB PHE 13 0.186 -3.411 3.413 88 HD1 PHE 13 1HD PHE 13 -2.558 -0.878 3.287 89 HD2 PHE 13 2HD PHE 13 -0.819 -4.340 1.556 90 HE1 PHE 13 1HE PHE 13 -4.475 -1.035 1.675 91 HE2 PHE 13 2HE PHE 13 -2.736 -4.497 -0.057 92 HZ PHE 13 HZ PHE 13 -4.541 -2.843 0.022 93 H ASN 14 H ASN 14 -0.519 -4.007 6.887 94 HA ASN 14 HA ASN 14 -2.418 -5.875 5.984 95 1HB ASN 14 1HB ASN 14 -0.947 -5.540 8.648 96 2HB ASN 14 2HB ASN 14 -1.983 -6.910 8.303 97 1HD2 ASN 14 2HD2 ASN 14 0.465 -7.543 8.915 98 2HD2 ASN 14 1HD2 ASN 14 1.406 -8.043 7.550 99 H VAL 15 H VAL 15 -2.475 -2.945 7.896 100 HA VAL 15 HA VAL 15 -4.592 -3.517 9.632 101 HB VAL 15 HB VAL 15 -4.721 -1.125 9.914 102 1HG1 VAL 15 1HG1 VAL 15 -2.540 -0.729 10.733 103 2HG1 VAL 15 2HG1 VAL 15 -2.748 -2.495 10.801 104 3HG1 VAL 15 3HG1 VAL 15 -1.793 -1.761 9.491 105 1HG2 VAL 15 1HG2 VAL 15 -3.083 -1.006 7.367 106 2HG2 VAL 15 2HG2 VAL 15 -4.679 -0.285 7.687 107 3HG2 VAL 15 3HG2 VAL 15 -3.232 0.363 8.496 108 H CYS 16 H CYS 16 -4.425 -2.670 6.188 109 HA CYS 16 HA CYS 16 -7.171 -1.958 6.016 110 1HB CYS 16 1HB CYS 16 -4.909 -2.322 4.118 111 2HB CYS 16 2HB CYS 16 -6.528 -2.481 3.467 112 H ARG 17 H ARG 17 -5.135 -4.884 5.587 113 HA ARG 17 HA ARG 17 -7.160 -6.409 4.408 114 1HB ARG 17 1HB ARG 17 -4.427 -6.854 5.513 115 2HB ARG 17 2HB ARG 17 -5.469 -8.260 5.611 116 1HG ARG 17 1HG ARG 17 -4.373 -8.407 3.478 117 2HG ARG 17 2HG ARG 17 -6.020 -7.915 3.135 118 1HD ARG 17 1HD ARG 17 -4.639 -6.472 1.804 119 2HD ARG 17 2HD ARG 17 -5.181 -5.481 3.144 120 HE ARG 17 HE ARG 17 -2.966 -5.303 3.854 121 1HH1 ARG 17 2HH2 ARG 17 -3.196 -7.900 1.504 122 2HH1 ARG 17 1HH2 ARG 17 -1.539 -8.377 1.669 123 1HH2 ARG 17 2HH1 ARG 17 -0.803 -6.027 4.185 124 2HH2 ARG 17 1HH1 ARG 17 -0.133 -7.193 3.092 125 H LEU 18 H LEU 18 -6.197 -5.640 7.749 126 HA LEU 18 HA LEU 18 -7.726 -7.750 8.920 127 1HB LEU 18 1HB LEU 18 -5.958 -5.575 9.794 128 2HB LEU 18 2HB LEU 18 -7.278 -5.906 10.898 129 HG LEU 18 HG LEU 18 -6.570 -8.344 10.852 130 1HD1 LEU 18 1HD1 LEU 18 -4.039 -7.231 9.615 131 2HD1 LEU 18 2HD1 LEU 18 -4.354 -8.913 10.102 132 3HD1 LEU 18 3HD1 LEU 18 -5.259 -8.194 8.748 133 1HD2 LEU 18 1HD2 LEU 18 -6.103 -6.918 12.754 134 2HD2 LEU 18 2HD2 LEU 18 -4.718 -7.994 12.445 135 3HD2 LEU 18 3HD2 LEU 18 -4.643 -6.283 11.958 136 HA PRO 19 HA PRO 19 -11.555 -5.757 8.959 137 1HB PRO 19 1HB PRO 19 -12.809 -7.072 11.001 138 2HB PRO 19 2HB PRO 19 -12.658 -7.734 9.385 139 1HG PRO 19 1HG PRO 19 -11.178 -8.469 11.836 140 2HG PRO 19 2HG PRO 19 -11.354 -9.375 10.347 141 1HD PRO 19 1HD PRO 19 -9.049 -7.891 11.190 142 2HD PRO 19 2HD PRO 19 -9.269 -8.700 9.651 143 H GLY 20 H GLY 20 -10.730 -3.648 9.407 144 1HA GLY 20 1HA GLY 20 -11.970 -2.473 11.609 145 2HA GLY 20 2HA GLY 20 -10.318 -2.823 12.077 146 H THR 21 H THR 21 -8.603 -2.214 10.249 147 HA THR 21 HA THR 21 -7.599 -0.601 9.095 148 HB THR 21 HB THR 21 -10.384 0.310 8.228 149 HG1 THR 21 1HG THR 21 -8.678 -1.988 7.681 150 1HG2 THR 21 1HG2 THR 21 -9.165 0.554 6.020 151 2HG2 THR 21 2HG2 THR 21 -8.541 1.650 7.276 152 3HG2 THR 21 3HG2 THR 21 -7.645 0.168 6.863 153 H SER 22 H SER 22 -6.679 1.343 9.574 154 HA SER 22 HA SER 22 -7.485 2.540 11.943 155 1HB SER 22 1HB SER 22 -5.190 2.728 11.397 156 2HB SER 22 2HB SER 22 -5.517 3.254 9.758 157 HG SER 22 HG SER 22 -4.787 4.992 11.189 158 H GLU 23 H GLU 23 -7.051 4.412 8.877 159 HA GLU 23 HA GLU 23 -9.322 6.001 9.654 160 1HB GLU 23 1HB GLU 23 -7.124 6.306 7.584 161 2HB GLU 23 2HB GLU 23 -8.535 7.344 7.549 162 1HG GLU 23 1HG GLU 23 -6.828 6.976 10.050 163 2HG GLU 23 2HG GLU 23 -6.512 8.230 8.868 164 HE2 GLU 23 HE GLU 23 -7.023 8.877 11.223 165 H ALA 24 H ALA 24 -8.196 4.876 6.387 166 HA ALA 24 HA ALA 24 -10.463 3.283 5.912 167 1HB ALA 24 1HB ALA 24 -10.547 6.173 5.026 168 2HB ALA 24 2HB ALA 24 -11.364 4.908 4.076 169 3HB ALA 24 3HB ALA 24 -11.829 5.188 5.771 170 H ILE 25 H ILE 25 -8.617 5.698 3.917 171 HA ILE 25 HA ILE 25 -7.830 3.511 2.179 172 HB ILE 25 HB ILE 25 -7.306 6.465 1.873 173 1HG1 ILE 25 1HG1 ILE 25 -9.698 4.843 0.959 174 2HG1 ILE 25 2HG1 ILE 25 -9.702 6.143 2.134 175 1HG2 ILE 25 1HG2 ILE 25 -5.987 4.734 0.527 176 2HG2 ILE 25 2HG2 ILE 25 -7.525 4.383 -0.299 177 3HG2 ILE 25 3HG2 ILE 25 -6.826 6.018 -0.378 178 1HD1 ILE 25 1HD1 ILE 25 -10.429 7.119 0.062 179 2HD1 ILE 25 2HD1 ILE 25 -8.749 7.662 0.291 180 3HD1 ILE 25 3HD1 ILE 25 -9.110 6.341 -0.846 181 H CYS 26 H CYS 26 -6.610 2.722 4.271 182 HA CYS 26 HA CYS 26 -4.337 4.072 5.108 183 1HB CYS 26 1HB CYS 26 -3.861 2.224 6.357 184 2HB CYS 26 2HB CYS 26 -5.581 2.013 6.094 185 H ALA 27 H ALA 27 -5.089 2.092 2.262 186 HA ALA 27 HA ALA 27 -2.659 1.181 1.466 187 1HB ALA 27 1HB ALA 27 -4.805 0.767 0.317 188 2HB ALA 27 2HB ALA 27 -4.834 2.456 -0.244 189 3HB ALA 27 3HB ALA 27 -3.568 1.347 -0.824 190 H THR 28 H THR 28 -3.886 4.532 1.494 191 HA THR 28 HA THR 28 -1.525 5.458 0.060 192 HB THR 28 HB THR 28 -4.045 6.827 1.140 193 HG1 THR 28 1HG THR 28 -4.081 5.284 -0.753 194 1HG2 THR 28 1HG2 THR 28 -1.808 7.876 -0.675 195 2HG2 THR 28 2HG2 THR 28 -3.344 8.715 -0.348 196 3HG2 THR 28 3HG2 THR 28 -2.168 8.467 0.965 197 H TYR 29 H TYR 29 -2.951 5.433 3.342 198 HA TYR 29 HA TYR 29 -0.751 7.051 4.323 199 1HB TYR 29 1HB TYR 29 -2.926 5.543 5.871 200 2HB TYR 29 2HB TYR 29 -2.130 7.029 6.348 201 HD1 TYR 29 1HD TYR 29 -5.203 6.125 5.860 202 HD2 TYR 29 2HD TYR 29 -2.393 8.622 3.818 203 HE1 TYR 29 1HE TYR 29 -7.115 7.473 4.864 204 HE2 TYR 29 2HE TYR 29 -4.314 9.962 2.829 205 HH TYR 29 HH TYR 29 -7.683 9.123 3.602 206 H THR 30 H THR 30 -0.114 4.424 3.126 207 HA THR 30 HA THR 30 1.195 3.287 5.479 208 HB THR 30 HB THR 30 -1.046 2.088 4.889 209 HG1 THR 30 1HG THR 30 0.337 0.799 6.078 210 1HG2 THR 30 1HG2 THR 30 -1.098 0.650 3.008 211 2HG2 THR 30 2HG2 THR 30 -0.344 2.109 2.321 212 3HG2 THR 30 3HG2 THR 30 0.667 0.721 2.789 213 H GLY 31 H GLY 31 1.792 4.992 2.956 214 1HA GLY 31 1HA GLY 31 3.862 5.199 1.955 215 2HA GLY 31 2HA GLY 31 4.222 3.519 2.300 216 H CYS 32 H CYS 32 1.821 2.293 1.263 217 HA CYS 32 HA CYS 32 2.543 1.989 -1.382 218 1HB CYS 32 1HB CYS 32 0.217 1.200 0.293 219 2HB CYS 32 2HB CYS 32 -0.002 1.137 -1.445 220 H ILE 33 H ILE 33 1.100 2.518 -3.334 221 HA ILE 33 HA ILE 33 -0.450 4.958 -2.947 222 HB ILE 33 HB ILE 33 0.671 6.018 -4.860 223 1HG1 ILE 33 1HG1 ILE 33 2.699 3.775 -4.617 224 2HG1 ILE 33 2HG1 ILE 33 1.532 3.943 -5.914 225 1HG2 ILE 33 1HG2 ILE 33 2.531 6.855 -3.644 226 2HG2 ILE 33 2HG2 ILE 33 1.274 6.454 -2.450 227 3HG2 ILE 33 3HG2 ILE 33 2.663 5.365 -2.679 228 1HD1 ILE 33 1HD1 ILE 33 2.510 6.278 -6.348 229 2HD1 ILE 33 2HD1 ILE 33 3.817 5.835 -5.224 230 3HD1 ILE 33 3HD1 ILE 33 3.581 4.907 -6.725 231 H ILE 34 H ILE 34 -1.331 5.520 -5.396 232 HA ILE 34 HA ILE 34 -2.592 3.005 -6.194 233 HB ILE 34 HB ILE 34 -3.404 5.881 -6.633 234 1HG1 ILE 34 1HG1 ILE 34 -4.652 3.772 -4.848 235 2HG1 ILE 34 2HG1 ILE 34 -3.558 5.018 -4.282 236 1HG2 ILE 34 1HG2 ILE 34 -4.092 4.433 -8.497 237 2HG2 ILE 34 2HG2 ILE 34 -4.888 3.335 -7.344 238 3HG2 ILE 34 3HG2 ILE 34 -5.481 5.002 -7.541 239 1HD1 ILE 34 1HD1 ILE 34 -5.749 5.897 -3.911 240 2HD1 ILE 34 2HD1 ILE 34 -5.165 6.728 -5.373 241 3HD1 ILE 34 3HD1 ILE 34 -6.314 5.376 -5.516 242 H ILE 35 H ILE 35 -2.114 2.057 -8.111 243 HA ILE 35 HA ILE 35 -0.352 3.572 -9.886 244 HB ILE 35 HB ILE 35 0.383 1.475 -10.730 245 1HG1 ILE 35 1HG1 ILE 35 -1.899 0.275 -9.148 246 2HG1 ILE 35 2HG1 ILE 35 -1.645 0.222 -10.881 247 1HG2 ILE 35 1HG2 ILE 35 0.190 1.067 -7.745 248 2HG2 ILE 35 2HG2 ILE 35 1.510 0.617 -8.852 249 3HG2 ILE 35 3HG2 ILE 35 1.209 2.331 -8.475 250 1HD1 ILE 35 1HD1 ILE 35 -0.946 -1.918 -10.048 251 2HD1 ILE 35 2HD1 ILE 35 0.553 -1.028 -10.406 252 3HD1 ILE 35 3HD1 ILE 35 -0.013 -1.177 -8.725 253 HA PRO 36 HA PRO 36 -3.601 3.918 -12.722 254 1HB PRO 36 1HB PRO 36 -2.194 4.744 -14.915 255 2HB PRO 36 2HB PRO 36 -2.687 5.828 -13.628 256 1HG PRO 36 1HG PRO 36 -0.003 4.728 -14.198 257 2HG PRO 36 2HG PRO 36 -0.437 6.110 -13.212 258 1HD PRO 36 1HD PRO 36 0.330 3.509 -12.278 259 2HD PRO 36 2HD PRO 36 -0.215 4.855 -11.298 260 H GLY 37 H GLY 37 -3.764 1.489 -12.374 261 1HA GLY 37 1HA GLY 37 -4.227 -0.462 -13.399 262 2HA GLY 37 2HA GLY 37 -4.021 0.332 -14.947 263 H ALA 38 H ALA 38 -2.438 -1.528 -12.371 264 HA ALA 38 HA ALA 38 -0.325 -2.303 -12.191 265 1HB ALA 38 1HB ALA 38 -1.597 -4.006 -13.427 266 2HB ALA 38 2HB ALA 38 -1.160 -3.231 -14.969 267 3HB ALA 38 3HB ALA 38 0.100 -3.985 -13.963 268 H THR 39 H THR 39 0.269 0.202 -12.420 269 HA THR 39 HA THR 39 2.409 0.262 -14.410 270 HB THR 39 HB THR 39 0.221 2.374 -14.047 271 HG1 THR 39 1HG THR 39 1.273 0.720 -16.235 272 1HG2 THR 39 1HG2 THR 39 2.864 2.388 -15.576 273 2HG2 THR 39 2HG2 THR 39 1.483 3.392 -16.079 274 3HG2 THR 39 3HG2 THR 39 2.229 3.641 -14.482 275 H CYS 40 H CYS 40 3.320 -0.427 -12.171 276 HA CYS 40 HA CYS 40 3.489 1.609 -10.220 277 1HB CYS 40 1HB CYS 40 5.310 -0.778 -10.565 278 2HB CYS 40 2HB CYS 40 5.072 0.171 -9.112 279 HA PRO 41 HA PRO 41 6.749 3.852 -12.057 280 1HB PRO 41 1HB PRO 41 7.595 5.320 -9.912 281 2HB PRO 41 2HB PRO 41 6.199 5.753 -10.879 282 1HG PRO 41 1HG PRO 41 6.282 4.559 -8.176 283 2HG PRO 41 2HG PRO 41 4.955 5.380 -8.974 284 1HD PRO 41 1HD PRO 41 5.253 2.550 -8.610 285 2HD PRO 41 2HD PRO 41 3.987 3.364 -9.507 286 H GLY 42 H GLY 42 9.140 4.469 -11.825 287 1HA GLY 42 1HA GLY 42 10.503 1.984 -11.346 288 2HA GLY 42 2HA GLY 42 11.190 3.496 -11.905 289 H ASP 43 H ASP 43 9.746 4.894 -9.506 290 HA ASP 43 HA ASP 43 11.974 4.862 -7.842 291 1HB ASP 43 1HB ASP 43 9.133 5.789 -7.210 292 2HB ASP 43 2HB ASP 43 10.576 6.268 -6.340 293 HD2 ASP 43 HD ASP 43 9.955 7.885 -9.965 294 H TYR 44 H TYR 44 8.673 3.383 -7.696 295 HA TYR 44 HA TYR 44 9.279 2.124 -5.152 296 1HB TYR 44 1HB TYR 44 6.959 2.523 -7.085 297 2HB TYR 44 2HB TYR 44 6.844 1.178 -5.968 298 HD1 TYR 44 1HD TYR 44 5.091 1.864 -4.546 299 HD2 TYR 44 2HD TYR 44 8.352 4.527 -5.302 300 HE1 TYR 44 1HE TYR 44 4.232 3.438 -2.744 301 HE2 TYR 44 2HE TYR 44 7.483 6.093 -3.498 302 HH TYR 44 HH TYR 44 4.693 5.190 -1.520 303 H ALA 45 H ALA 45 8.472 1.185 -8.563 304 HA ALA 45 HA ALA 45 9.102 -0.594 -9.740 305 1HB ALA 45 1HB ALA 45 10.606 -1.796 -7.421 306 2HB ALA 45 2HB ALA 45 10.995 -1.821 -9.158 307 3HB ALA 45 3HB ALA 45 11.238 -0.333 -8.213 308 H ASN 46 H ASN 46 8.775 -1.755 -6.304 309 HA ASN 46 HA ASN 46 6.415 -3.188 -7.187 310 1HB ASN 46 1HB ASN 46 7.187 -5.190 -5.820 311 2HB ASN 46 2HB ASN 46 8.166 -4.893 -7.243 312 1HD2 ASN 46 2HD2 ASN 46 8.009 -4.930 -3.802 313 2HD2 ASN 46 1HD2 ASN 46 9.672 -4.602 -3.450 Start of MODEL 6 1 H THR 1 H THR 1 -2.677 5.592 -5.451 2 HA THR 1 HA THR 1 -0.457 3.862 -6.077 3 HB THR 1 HB THR 1 0.725 6.186 -5.824 4 HG1 THR 1 1HG THR 1 -1.068 7.031 -4.491 5 1HG2 THR 1 1HG2 THR 1 -0.056 5.307 -8.064 6 2HG2 THR 1 2HG2 THR 1 -1.660 6.006 -7.740 7 3HG2 THR 1 3HG2 THR 1 -0.246 7.071 -7.922 8 H THR 2 H THR 2 1.135 3.107 -4.762 9 HA THR 2 HA THR 2 1.147 4.040 -1.993 10 HB THR 2 HB THR 2 0.882 1.112 -2.860 11 HG1 THR 2 1HG THR 2 -0.806 3.051 -1.438 12 1HG2 THR 2 1HG2 THR 2 2.180 1.419 -0.724 13 2HG2 THR 2 2HG2 THR 2 0.856 2.427 -0.092 14 3HG2 THR 2 3HG2 THR 2 0.578 0.702 -0.427 15 H CYS 3 H CYS 3 3.146 4.015 -1.007 16 HA CYS 3 HA CYS 3 5.319 3.388 -2.850 17 1HB CYS 3 1HB CYS 3 5.773 4.880 -0.308 18 2HB CYS 3 2HB CYS 3 6.591 5.013 -1.853 19 H CYS 4 H CYS 4 6.237 1.392 -2.523 20 HA CYS 4 HA CYS 4 6.418 0.483 0.256 21 1HB CYS 4 1HB CYS 4 5.714 -1.138 -2.194 22 2HB CYS 4 2HB CYS 4 6.230 -1.856 -0.681 23 HA PRO 5 HA PRO 5 10.628 0.019 -0.763 24 1HB PRO 5 1HB PRO 5 11.450 -1.808 1.096 25 2HB PRO 5 2HB PRO 5 11.237 -0.106 1.454 26 1HG PRO 5 1HG PRO 5 9.507 -2.386 2.193 27 2HG PRO 5 2HG PRO 5 9.551 -0.775 2.880 28 1HD PRO 5 1HD PRO 5 7.597 -1.807 1.052 29 2HD PRO 5 2HD PRO 5 7.709 -0.163 1.648 30 H SER 6 H SER 6 8.612 -2.776 -0.745 31 HA SER 6 HA SER 6 10.603 -4.142 -2.351 32 1HB SER 6 1HB SER 6 7.982 -5.180 -1.183 33 2HB SER 6 2HB SER 6 9.181 -6.152 -2.013 34 HG SER 6 HG SER 6 10.708 -5.659 -0.326 35 H ILE 7 H ILE 7 7.184 -2.982 -2.347 36 HA ILE 7 HA ILE 7 5.968 -2.230 -4.064 37 HB ILE 7 HB ILE 7 8.482 -2.227 -5.202 38 1HG1 ILE 7 1HG1 ILE 7 7.263 -0.910 -7.042 39 2HG1 ILE 7 2HG1 ILE 7 5.788 -1.251 -6.161 40 1HG2 ILE 7 1HG2 ILE 7 7.841 -4.462 -6.227 41 2HG2 ILE 7 2HG2 ILE 7 6.651 -3.564 -7.199 42 3HG2 ILE 7 3HG2 ILE 7 8.386 -3.194 -7.352 43 1HD1 ILE 7 1HD1 ILE 7 6.886 0.956 -5.556 44 2HD1 ILE 7 2HD1 ILE 7 6.613 -0.126 -4.170 45 3HD1 ILE 7 3HD1 ILE 7 8.241 0.026 -4.873 46 H VAL 8 H VAL 8 7.153 -5.413 -3.538 47 HA VAL 8 HA VAL 8 5.281 -6.646 -5.365 48 HB VAL 8 HB VAL 8 7.197 -7.773 -3.314 49 1HG1 VAL 8 1HG1 VAL 8 5.456 -9.136 -5.389 50 2HG1 VAL 8 2HG1 VAL 8 6.842 -9.921 -4.595 51 3HG1 VAL 8 3HG1 VAL 8 5.452 -9.378 -3.625 52 1HG2 VAL 8 1HG2 VAL 8 7.403 -7.474 -6.328 53 2HG2 VAL 8 2HG2 VAL 8 8.395 -6.661 -5.094 54 3HG2 VAL 8 3HG2 VAL 8 8.528 -8.421 -5.324 55 H ALA 9 H ALA 9 5.448 -5.500 -2.060 56 HA ALA 9 HA ALA 9 3.523 -7.242 -0.958 57 1HB ALA 9 1HB ALA 9 5.192 -5.841 0.299 58 2HB ALA 9 2HB ALA 9 4.242 -4.400 -0.138 59 3HB ALA 9 3HB ALA 9 3.521 -5.665 0.886 60 H ARG 10 H ARG 10 3.343 -4.718 -3.303 61 HA ARG 10 HA ARG 10 0.982 -3.515 -2.691 62 1HB ARG 10 1HB ARG 10 2.608 -2.987 -4.608 63 2HB ARG 10 2HB ARG 10 1.875 -4.300 -5.509 64 1HG ARG 10 1HG ARG 10 0.420 -2.712 -6.269 65 2HG ARG 10 2HG ARG 10 -0.371 -2.902 -4.717 66 1HD ARG 10 1HD ARG 10 0.045 -0.521 -5.084 67 2HD ARG 10 2HD ARG 10 1.079 -1.065 -3.778 68 HE ARG 10 HE ARG 10 2.154 -0.980 -6.569 69 1HH1 ARG 10 2HH2 ARG 10 3.048 -0.884 -3.262 70 2HH1 ARG 10 1HH2 ARG 10 3.968 0.580 -3.345 71 1HH2 ARG 10 2HH1 ARG 10 3.588 0.899 -6.845 72 2HH2 ARG 10 1HH1 ARG 10 4.441 1.480 -5.454 73 H SER 11 H SER 11 1.651 -6.740 -4.052 74 HA SER 11 HA SER 11 -0.810 -7.269 -5.148 75 1HB SER 11 1HB SER 11 -0.189 -9.665 -4.862 76 2HB SER 11 2HB SER 11 1.132 -8.713 -5.509 77 HG SER 11 HG SER 11 2.233 -8.823 -3.582 78 H ASN 12 H ASN 12 0.352 -7.339 -1.768 79 HA ASN 12 HA ASN 12 -1.974 -8.683 -0.843 80 1HB ASN 12 1HB ASN 12 0.125 -7.102 0.732 81 2HB ASN 12 2HB ASN 12 -1.016 -8.243 1.413 82 1HD2 ASN 12 2HD2 ASN 12 -0.925 -10.473 0.687 83 2HD2 ASN 12 1HD2 ASN 12 0.597 -11.185 0.265 84 H PHE 13 H PHE 13 -0.702 -5.343 -1.159 85 HA PHE 13 HA PHE 13 -2.640 -4.114 0.481 86 1HB PHE 13 1HB PHE 13 -0.313 -3.301 -0.411 87 2HB PHE 13 2HB PHE 13 -1.113 -2.994 -1.939 88 HD1 PHE 13 1HD PHE 13 -0.634 -1.843 1.473 89 HD2 PHE 13 2HD PHE 13 -2.804 -1.208 -2.118 90 HE1 PHE 13 1HE PHE 13 -1.311 0.433 2.285 91 HE2 PHE 13 2HE PHE 13 -3.482 1.068 -1.305 92 HZ PHE 13 HZ PHE 13 -2.727 1.862 0.886 93 H ASN 14 H ASN 14 -2.649 -5.339 -2.817 94 HA ASN 14 HA ASN 14 -4.552 -3.650 -3.888 95 1HB ASN 14 1HB ASN 14 -3.778 -6.549 -4.445 96 2HB ASN 14 2HB ASN 14 -5.033 -5.759 -5.380 97 1HD2 ASN 14 2HD2 ASN 14 -2.821 -6.695 -6.614 98 2HD2 ASN 14 1HD2 ASN 14 -1.796 -5.413 -7.168 99 H VAL 15 H VAL 15 -4.701 -6.313 -1.578 100 HA VAL 15 HA VAL 15 -7.382 -7.072 -1.997 101 HB VAL 15 HB VAL 15 -5.581 -7.289 0.423 102 1HG1 VAL 15 1HG1 VAL 15 -7.095 -9.175 1.066 103 2HG1 VAL 15 2HG1 VAL 15 -7.869 -7.573 1.128 104 3HG1 VAL 15 3HG1 VAL 15 -8.203 -8.670 -0.233 105 1HG2 VAL 15 1HG2 VAL 15 -6.107 -9.165 -1.902 106 2HG2 VAL 15 2HG2 VAL 15 -4.565 -8.405 -1.441 107 3HG2 VAL 15 3HG2 VAL 15 -5.290 -9.651 -0.397 108 H CYS 16 H CYS 16 -5.774 -4.449 -0.211 109 HA CYS 16 HA CYS 16 -8.114 -3.799 1.283 110 1HB CYS 16 1HB CYS 16 -5.374 -2.675 0.963 111 2HB CYS 16 2HB CYS 16 -6.631 -1.588 1.520 112 H ARG 17 H ARG 17 -6.498 -2.820 -1.769 113 HA ARG 17 HA ARG 17 -8.030 -0.541 -2.186 114 1HB ARG 17 1HB ARG 17 -6.476 -2.389 -4.048 115 2HB ARG 17 2HB ARG 17 -7.320 -0.983 -4.665 116 1HG ARG 17 1HG ARG 17 -6.029 0.482 -3.100 117 2HG ARG 17 2HG ARG 17 -5.187 -0.923 -2.477 118 1HD ARG 17 1HD ARG 17 -4.195 -1.372 -4.694 119 2HD ARG 17 2HD ARG 17 -5.133 -0.079 -5.415 120 HE ARG 17 HE ARG 17 -2.676 0.218 -3.911 121 1HH1 ARG 17 2HH2 ARG 17 -5.603 1.853 -4.950 122 2HH1 ARG 17 1HH2 ARG 17 -5.038 3.429 -4.505 123 1HH2 ARG 17 2HH1 ARG 17 -2.022 2.276 -3.101 124 2HH2 ARG 17 1HH1 ARG 17 -2.934 3.679 -3.550 125 H LEU 18 H LEU 18 -8.462 -4.013 -2.986 126 HA LEU 18 HA LEU 18 -10.768 -3.515 -4.617 127 1HB LEU 18 1HB LEU 18 -9.114 -5.820 -3.804 128 2HB LEU 18 2HB LEU 18 -10.808 -6.176 -4.074 129 HG LEU 18 HG LEU 18 -10.604 -5.113 -6.345 130 1HD1 LEU 18 1HD1 LEU 18 -8.641 -3.713 -5.891 131 2HD1 LEU 18 2HD1 LEU 18 -7.634 -5.173 -5.741 132 3HD1 LEU 18 3HD1 LEU 18 -8.390 -4.770 -7.301 133 1HD2 LEU 18 1HD2 LEU 18 -9.457 -7.039 -7.365 134 2HD2 LEU 18 2HD2 LEU 18 -8.837 -7.506 -5.764 135 3HD2 LEU 18 3HD2 LEU 18 -10.588 -7.527 -6.081 136 HA PRO 19 HA PRO 19 -13.768 -3.723 -1.523 137 1HB PRO 19 1HB PRO 19 -15.870 -4.963 -2.754 138 2HB PRO 19 2HB PRO 19 -15.474 -3.275 -3.003 139 1HG PRO 19 1HG PRO 19 -15.020 -5.571 -4.809 140 2HG PRO 19 2HG PRO 19 -15.031 -3.860 -5.190 141 1HD PRO 19 1HD PRO 19 -12.724 -5.540 -4.903 142 2HD PRO 19 2HD PRO 19 -12.732 -3.808 -5.168 143 H GLY 20 H GLY 20 -12.178 -6.421 -2.470 144 1HA GLY 20 1HA GLY 20 -13.465 -8.589 -1.498 145 2HA GLY 20 2HA GLY 20 -11.744 -8.316 -1.317 146 H THR 21 H THR 21 -11.321 -6.448 0.527 147 HA THR 21 HA THR 21 -13.054 -7.088 2.812 148 HB THR 21 HB THR 21 -11.001 -7.434 4.174 149 HG1 THR 21 1HG THR 21 -8.985 -7.173 3.079 150 1HG2 THR 21 1HG2 THR 21 -11.920 -9.411 2.778 151 2HG2 THR 21 2HG2 THR 21 -10.656 -9.024 1.587 152 3HG2 THR 21 3HG2 THR 21 -10.203 -9.520 3.235 153 H SER 22 H SER 22 -10.016 -5.175 2.424 154 HA SER 22 HA SER 22 -9.578 -3.086 2.808 155 1HB SER 22 1HB SER 22 -10.891 -1.452 1.778 156 2HB SER 22 2HB SER 22 -11.438 -2.900 0.957 157 HG SER 22 HG SER 22 -13.302 -2.967 2.278 158 H GLU 23 H GLU 23 -10.818 -4.879 4.942 159 HA GLU 23 HA GLU 23 -12.185 -2.951 6.586 160 1HB GLU 23 1HB GLU 23 -11.552 -5.909 6.921 161 2HB GLU 23 2HB GLU 23 -12.295 -4.960 8.194 162 1HG GLU 23 1HG GLU 23 -14.167 -4.351 6.650 163 2HG GLU 23 2HG GLU 23 -13.422 -5.290 5.372 164 HE2 GLU 23 HE GLU 23 -15.620 -6.016 5.787 165 H ALA 24 H ALA 24 -9.267 -5.113 6.809 166 HA ALA 24 HA ALA 24 -8.301 -3.531 9.039 167 1HB ALA 24 1HB ALA 24 -7.155 -5.979 7.634 168 2HB ALA 24 2HB ALA 24 -6.568 -5.274 9.159 169 3HB ALA 24 3HB ALA 24 -8.189 -6.006 9.083 170 H ILE 25 H ILE 25 -5.866 -2.925 8.953 171 HA ILE 25 HA ILE 25 -5.511 -1.412 6.507 172 HB ILE 25 HB ILE 25 -3.925 -1.398 9.078 173 1HG1 ILE 25 1HG1 ILE 25 -6.190 0.415 8.194 174 2HG1 ILE 25 2HG1 ILE 25 -6.291 -0.808 9.445 175 1HG2 ILE 25 1HG2 ILE 25 -2.988 0.673 8.316 176 2HG2 ILE 25 2HG2 ILE 25 -2.740 -0.554 7.051 177 3HG2 ILE 25 3HG2 ILE 25 -4.020 0.668 6.866 178 1HD1 ILE 25 1HD1 ILE 25 -5.883 1.238 10.609 179 2HD1 ILE 25 2HD1 ILE 25 -4.311 0.403 10.592 180 3HD1 ILE 25 3HD1 ILE 25 -4.624 1.736 9.454 181 H CYS 26 H CYS 26 -4.246 -2.061 4.852 182 HA CYS 26 HA CYS 26 -2.713 -4.470 5.229 183 1HB CYS 26 1HB CYS 26 -3.236 -2.799 2.763 184 2HB CYS 26 2HB CYS 26 -2.343 -4.306 2.781 185 H ALA 27 H ALA 27 -2.328 -0.954 4.932 186 HA ALA 27 HA ALA 27 0.287 -0.765 4.102 187 1HB ALA 27 1HB ALA 27 -1.392 1.086 4.459 188 2HB ALA 27 2HB ALA 27 -1.080 0.955 6.207 189 3HB ALA 27 3HB ALA 27 0.230 1.435 5.102 190 H THR 28 H THR 28 -1.074 -1.885 7.171 191 HA THR 28 HA THR 28 1.438 -1.656 8.571 192 HB THR 28 HB THR 28 -0.183 -3.192 10.148 193 HG1 THR 28 1HG THR 28 -1.949 -3.348 8.743 194 1HG2 THR 28 1HG2 THR 28 -0.645 -0.212 9.599 195 2HG2 THR 28 2HG2 THR 28 -1.164 -1.093 11.056 196 3HG2 THR 28 3HG2 THR 28 0.570 -0.864 10.725 197 H TYR 29 H TYR 29 -0.544 -4.281 7.087 198 HA TYR 29 HA TYR 29 1.184 -6.349 7.874 199 1HB TYR 29 1HB TYR 29 -0.928 -5.783 5.739 200 2HB TYR 29 2HB TYR 29 -0.043 -7.293 5.648 201 HD1 TYR 29 1HD TYR 29 -3.051 -6.053 6.612 202 HD2 TYR 29 2HD TYR 29 0.155 -8.358 8.260 203 HE1 TYR 29 1HE TYR 29 -4.654 -7.099 8.287 204 HE2 TYR 29 2HE TYR 29 -1.458 -9.395 9.928 205 HH TYR 29 HH TYR 29 -3.486 -9.487 10.650 206 H THR 30 H THR 30 1.329 -3.941 5.293 207 HA THR 30 HA THR 30 3.470 -5.461 3.983 208 HB THR 30 HB THR 30 3.061 -3.780 2.145 209 HG1 THR 30 1HG THR 30 1.381 -2.236 2.587 210 1HG2 THR 30 1HG2 THR 30 1.614 -5.884 2.270 211 2HG2 THR 30 2HG2 THR 30 0.422 -4.932 3.187 212 3HG2 THR 30 3HG2 THR 30 0.807 -4.494 1.505 213 H GLY 31 H GLY 31 2.841 -2.765 6.118 214 1HA GLY 31 1HA GLY 31 4.367 -1.580 7.315 215 2HA GLY 31 2HA GLY 31 5.673 -2.352 6.438 216 H CYS 32 H CYS 32 3.192 -1.086 4.363 217 HA CYS 32 HA CYS 32 5.022 0.986 3.521 218 1HB CYS 32 1HB CYS 32 2.379 0.209 2.281 219 2HB CYS 32 2HB CYS 32 3.647 1.182 1.563 220 H ILE 33 H ILE 33 3.387 2.998 2.589 221 HA ILE 33 HA ILE 33 1.764 3.755 4.913 222 HB ILE 33 HB ILE 33 2.602 6.072 4.599 223 1HG1 ILE 33 1HG1 ILE 33 3.515 5.347 2.201 224 2HG1 ILE 33 2HG1 ILE 33 4.202 6.678 3.111 225 1HG2 ILE 33 1HG2 ILE 33 4.791 5.661 5.714 226 2HG2 ILE 33 2HG2 ILE 33 3.436 4.753 6.424 227 3HG2 ILE 33 3HG2 ILE 33 4.601 3.927 5.361 228 1HD1 ILE 33 1HD1 ILE 33 5.251 3.820 3.299 229 2HD1 ILE 33 2HD1 ILE 33 5.909 5.040 2.183 230 3HD1 ILE 33 3HD1 ILE 33 6.016 5.293 3.942 231 H ILE 34 H ILE 34 0.187 5.565 4.347 232 HA ILE 34 HA ILE 34 -0.874 4.975 1.687 233 HB ILE 34 HB ILE 34 -2.187 6.152 4.139 234 1HG1 ILE 34 1HG1 ILE 34 -2.531 3.408 2.898 235 2HG1 ILE 34 2HG1 ILE 34 -1.533 3.740 4.300 236 1HG2 ILE 34 1HG2 ILE 34 -3.412 5.347 1.486 237 2HG2 ILE 34 2HG2 ILE 34 -4.284 5.935 2.922 238 3HG2 ILE 34 3HG2 ILE 34 -3.163 7.014 2.058 239 1HD1 ILE 34 1HD1 ILE 34 -3.642 4.809 5.362 240 2HD1 ILE 34 2HD1 ILE 34 -4.548 4.036 4.040 241 3HD1 ILE 34 3HD1 ILE 34 -3.632 3.037 5.193 242 H ILE 35 H ILE 35 -1.124 6.548 0.130 243 HA ILE 35 HA ILE 35 -0.360 9.264 0.940 244 HB ILE 35 HB ILE 35 1.104 9.515 -0.794 245 1HG1 ILE 35 1HG1 ILE 35 -0.305 7.223 -2.177 246 2HG1 ILE 35 2HG1 ILE 35 -0.289 8.913 -2.641 247 1HG2 ILE 35 1HG2 ILE 35 1.493 6.553 -0.387 248 2HG2 ILE 35 2HG2 ILE 35 2.715 7.828 -0.606 249 3HG2 ILE 35 3HG2 ILE 35 1.794 7.731 0.914 250 1HD1 ILE 35 1HD1 ILE 35 1.968 6.892 -2.803 251 2HD1 ILE 35 2HD1 ILE 35 1.308 7.932 -4.088 252 3HD1 ILE 35 3HD1 ILE 35 2.310 8.639 -2.798 253 HA PRO 36 HA PRO 36 -3.888 10.500 -1.213 254 1HB PRO 36 1HB PRO 36 -3.210 12.949 -2.218 255 2HB PRO 36 2HB PRO 36 -3.659 12.691 -0.544 256 1HG PRO 36 1HG PRO 36 -0.975 13.157 -1.691 257 2HG PRO 36 2HG PRO 36 -1.501 13.320 -0.028 258 1HD PRO 36 1HD PRO 36 0.031 11.166 -1.140 259 2HD PRO 36 2HD PRO 36 -0.594 11.273 0.494 260 H GLY 37 H GLY 37 -1.111 11.294 -3.254 261 1HA GLY 37 1HA GLY 37 -1.624 9.497 -5.260 262 2HA GLY 37 2HA GLY 37 -2.620 10.885 -5.651 263 H ALA 38 H ALA 38 0.202 9.546 -6.500 264 HA ALA 38 HA ALA 38 2.177 10.241 -7.244 265 1HB ALA 38 1HB ALA 38 0.605 11.271 -8.870 266 2HB ALA 38 2HB ALA 38 0.583 12.755 -7.887 267 3HB ALA 38 3HB ALA 38 2.091 12.232 -8.675 268 H THR 39 H THR 39 1.798 10.562 -4.414 269 HA THR 39 HA THR 39 3.702 12.737 -3.983 270 HB THR 39 HB THR 39 1.067 12.347 -2.466 271 HG1 THR 39 1HG THR 39 0.748 13.525 -4.400 272 1HG2 THR 39 1HG2 THR 39 3.321 14.399 -2.144 273 2HG2 THR 39 2HG2 THR 39 1.737 14.487 -1.338 274 3HG2 THR 39 3HG2 THR 39 2.863 13.166 -0.944 275 H CYS 40 H CYS 40 5.134 10.821 -4.009 276 HA CYS 40 HA CYS 40 4.796 9.097 -1.705 277 1HB CYS 40 1HB CYS 40 6.385 9.010 -4.216 278 2HB CYS 40 2HB CYS 40 7.082 8.230 -2.810 279 HA PRO 41 HA PRO 41 7.544 11.801 0.420 280 1HB PRO 41 1HB PRO 41 7.410 10.591 2.867 281 2HB PRO 41 2HB PRO 41 6.247 11.784 2.323 282 1HG PRO 41 1HG PRO 41 5.933 8.852 2.538 283 2HG PRO 41 2HG PRO 41 4.692 10.083 2.413 284 1HD PRO 41 1HD PRO 41 5.594 8.337 0.324 285 2HD PRO 41 2HD PRO 41 4.437 9.644 0.170 286 H GLY 42 H GLY 42 9.504 11.552 2.023 287 1HA GLY 42 1HA GLY 42 11.327 9.850 0.575 288 2HA GLY 42 2HA GLY 42 11.695 10.949 1.889 289 H ASP 43 H ASP 43 9.548 8.031 1.501 290 HA ASP 43 HA ASP 43 10.711 7.079 3.994 291 1HB ASP 43 1HB ASP 43 8.027 6.706 2.644 292 2HB ASP 43 2HB ASP 43 8.594 5.468 3.748 293 HD2 ASP 43 HD ASP 43 8.585 8.845 3.655 294 H TYR 44 H TYR 44 9.313 5.940 0.819 295 HA TYR 44 HA TYR 44 11.489 3.991 0.652 296 1HB TYR 44 1HB TYR 44 8.463 3.570 0.236 297 2HB TYR 44 2HB TYR 44 9.671 2.350 -0.112 298 HD1 TYR 44 1HD TYR 44 7.214 2.981 2.095 299 HD2 TYR 44 2HD TYR 44 11.434 2.276 2.143 300 HE1 TYR 44 1HE TYR 44 7.052 2.130 4.486 301 HE2 TYR 44 2HE TYR 44 11.258 1.428 4.534 302 HH TYR 44 HH TYR 44 9.962 1.021 6.205 303 H ALA 45 H ALA 45 8.587 5.417 -1.006 304 HA ALA 45 HA ALA 45 8.400 6.334 -3.024 305 1HB ALA 45 1HB ALA 45 11.293 5.829 -3.701 306 2HB ALA 45 2HB ALA 45 10.254 7.209 -4.128 307 3HB ALA 45 3HB ALA 45 10.880 7.047 -2.470 308 H ASN 46 H ASN 46 10.950 3.762 -3.390 309 HA ASN 46 HA ASN 46 8.986 2.259 -4.903 310 1HB ASN 46 1HB ASN 46 11.860 2.818 -5.809 311 2HB ASN 46 2HB ASN 46 10.773 1.696 -6.604 312 1HD2 ASN 46 2HD2 ASN 46 8.810 2.491 -7.532 313 2HD2 ASN 46 1HD2 ASN 46 8.704 4.111 -8.136 Start of MODEL 7 1 H THR 1 H THR 1 -2.485 6.296 4.179 2 HA THR 1 HA THR 1 -0.265 6.418 4.292 3 HB THR 1 HB THR 1 0.951 4.477 5.386 4 HG1 THR 1 1HG THR 1 -1.791 3.468 5.102 5 1HG2 THR 1 1HG2 THR 1 -1.747 5.095 6.702 6 2HG2 THR 1 2HG2 THR 1 -0.293 4.476 7.521 7 3HG2 THR 1 3HG2 THR 1 -0.302 6.123 6.847 8 H THR 2 H THR 2 -1.755 3.725 2.557 9 HA THR 2 HA THR 2 0.232 4.134 0.453 10 HB THR 2 HB THR 2 -0.531 1.431 1.680 11 HG1 THR 2 1HG THR 2 1.098 2.455 2.910 12 1HG2 THR 2 1HG2 THR 2 1.400 2.164 -0.585 13 2HG2 THR 2 2HG2 THR 2 1.236 0.549 0.145 14 3HG2 THR 2 3HG2 THR 2 -0.114 1.248 -0.781 15 H CYS 3 H CYS 3 -0.553 3.934 -1.626 16 HA CYS 3 HA CYS 3 -3.399 3.255 -1.777 17 1HB CYS 3 1HB CYS 3 -1.965 5.676 -2.739 18 2HB CYS 3 2HB CYS 3 -3.178 4.999 -3.806 19 H CYS 4 H CYS 4 -3.523 1.365 -2.939 20 HA CYS 4 HA CYS 4 -1.441 0.875 -4.916 21 1HB CYS 4 1HB CYS 4 -3.435 -0.974 -3.596 22 2HB CYS 4 2HB CYS 4 -2.362 -1.461 -4.893 23 HA PRO 5 HA PRO 5 -4.344 1.490 -8.105 24 1HB PRO 5 1HB PRO 5 -3.295 -0.026 -10.122 25 2HB PRO 5 2HB PRO 5 -2.694 1.567 -9.709 26 1HG PRO 5 1HG PRO 5 -1.491 -1.073 -9.140 27 2HG PRO 5 2HG PRO 5 -0.731 0.506 -9.124 28 1HD PRO 5 1HD PRO 5 -1.541 -1.032 -6.842 29 2HD PRO 5 2HD PRO 5 -0.888 0.594 -6.832 30 H SER 6 H SER 6 -3.499 -1.903 -7.686 31 HA SER 6 HA SER 6 -6.221 -2.520 -8.474 32 1HB SER 6 1HB SER 6 -5.473 -4.766 -8.853 33 2HB SER 6 2HB SER 6 -4.231 -3.722 -9.518 34 HG SER 6 HG SER 6 -2.838 -4.234 -7.883 35 H ILE 7 H ILE 7 -7.396 -4.227 -7.134 36 HA ILE 7 HA ILE 7 -7.051 -3.564 -4.336 37 HB ILE 7 HB ILE 7 -9.204 -4.718 -4.072 38 1HG1 ILE 7 1HG1 ILE 7 -9.467 -4.946 -7.054 39 2HG1 ILE 7 2HG1 ILE 7 -8.660 -6.224 -6.168 40 1HG2 ILE 7 1HG2 ILE 7 -9.176 -2.639 -6.278 41 2HG2 ILE 7 2HG2 ILE 7 -10.559 -3.060 -5.240 42 3HG2 ILE 7 3HG2 ILE 7 -9.109 -2.312 -4.530 43 1HD1 ILE 7 1HD1 ILE 7 -11.462 -5.166 -5.575 44 2HD1 ILE 7 2HD1 ILE 7 -11.078 -6.701 -6.390 45 3HD1 ILE 7 3HD1 ILE 7 -10.642 -6.467 -4.680 46 H VAL 8 H VAL 8 -5.821 -5.836 -6.514 47 HA VAL 8 HA VAL 8 -5.920 -8.104 -4.764 48 HB VAL 8 HB VAL 8 -4.410 -7.517 -7.316 49 1HG1 VAL 8 1HG1 VAL 8 -4.087 -10.003 -7.411 50 2HG1 VAL 8 2HG1 VAL 8 -3.175 -9.194 -6.114 51 3HG1 VAL 8 3HG1 VAL 8 -4.664 -10.090 -5.729 52 1HG2 VAL 8 1HG2 VAL 8 -6.815 -7.567 -7.652 53 2HG2 VAL 8 2HG2 VAL 8 -6.086 -9.041 -8.334 54 3HG2 VAL 8 3HG2 VAL 8 -6.938 -9.110 -6.772 55 H ALA 9 H ALA 9 -3.598 -5.507 -5.653 56 HA ALA 9 HA ALA 9 -1.406 -6.598 -4.284 57 1HB ALA 9 1HB ALA 9 -0.535 -4.260 -4.452 58 2HB ALA 9 2HB ALA 9 -1.177 -4.875 -5.994 59 3HB ALA 9 3HB ALA 9 -2.138 -3.736 -5.021 60 H ARG 10 H ARG 10 -4.310 -4.860 -3.258 61 HA ARG 10 HA ARG 10 -3.332 -3.875 -0.872 62 1HB ARG 10 1HB ARG 10 -6.138 -4.750 -1.710 63 2HB ARG 10 2HB ARG 10 -5.818 -3.945 -0.186 64 1HG ARG 10 1HG ARG 10 -4.904 -2.743 -2.829 65 2HG ARG 10 2HG ARG 10 -6.524 -2.472 -2.219 66 1HD ARG 10 1HD ARG 10 -5.342 -1.734 0.007 67 2HD ARG 10 2HD ARG 10 -3.885 -1.634 -0.961 68 HE ARG 10 HE ARG 10 -5.915 -0.241 -2.377 69 1HH1 ARG 10 2HH2 ARG 10 -4.036 0.062 0.584 70 2HH1 ARG 10 1HH2 ARG 10 -4.125 1.791 0.610 71 1HH2 ARG 10 2HH1 ARG 10 -6.216 2.021 -2.215 72 2HH2 ARG 10 1HH1 ARG 10 -5.515 2.894 -0.894 73 H SER 11 H SER 11 -4.399 -7.103 -1.892 74 HA SER 11 HA SER 11 -4.888 -8.113 0.665 75 1HB SER 11 1HB SER 11 -5.684 -9.135 -1.488 76 2HB SER 11 2HB SER 11 -4.036 -9.599 -1.859 77 HG SER 11 HG SER 11 -5.684 -10.529 0.326 78 H ASN 12 H ASN 12 -1.986 -7.939 -1.461 79 HA ASN 12 HA ASN 12 -0.399 -9.589 0.121 80 1HB ASN 12 1HB ASN 12 0.365 -7.308 -1.778 81 2HB ASN 12 2HB ASN 12 1.509 -8.467 -1.132 82 1HD2 ASN 12 2HD2 ASN 12 1.235 -10.715 -1.616 83 2HD2 ASN 12 1HD2 ASN 12 0.499 -11.218 -3.101 84 H PHE 13 H PHE 13 -1.281 -6.128 0.160 85 HA PHE 13 HA PHE 13 0.747 -5.514 2.134 86 1HB PHE 13 1HB PHE 13 -0.199 -4.084 0.096 87 2HB PHE 13 2HB PHE 13 -1.580 -3.790 1.134 88 HD1 PHE 13 1HD PHE 13 2.087 -3.337 0.885 89 HD2 PHE 13 2HD PHE 13 -1.495 -2.149 2.825 90 HE1 PHE 13 1HE PHE 13 3.306 -1.428 1.967 91 HE2 PHE 13 2HE PHE 13 -0.276 -0.240 3.907 92 HZ PHE 13 HZ PHE 13 2.110 0.097 3.465 93 H ASN 14 H ASN 14 -1.093 -7.517 3.008 94 HA ASN 14 HA ASN 14 -3.038 -6.125 4.594 95 1HB ASN 14 1HB ASN 14 -2.356 -9.028 4.034 96 2HB ASN 14 2HB ASN 14 -3.316 -8.654 5.451 97 1HD2 ASN 14 2HD2 ASN 14 -4.526 -10.172 3.730 98 2HD2 ASN 14 1HD2 ASN 14 -5.736 -9.344 2.809 99 H VAL 15 H VAL 15 -0.035 -8.121 4.924 100 HA VAL 15 HA VAL 15 -0.022 -8.048 7.760 101 HB VAL 15 HB VAL 15 2.109 -8.675 5.709 102 1HG1 VAL 15 1HG1 VAL 15 2.096 -9.052 8.719 103 2HG1 VAL 15 2HG1 VAL 15 3.239 -9.858 7.618 104 3HG1 VAL 15 3HG1 VAL 15 3.230 -8.083 7.748 105 1HG2 VAL 15 1HG2 VAL 15 0.236 -10.201 5.560 106 2HG2 VAL 15 2HG2 VAL 15 1.608 -11.035 6.330 107 3HG2 VAL 15 3HG2 VAL 15 0.250 -10.451 7.323 108 H CYS 16 H CYS 16 1.047 -5.903 5.162 109 HA CYS 16 HA CYS 16 2.698 -4.387 6.986 110 1HB CYS 16 1HB CYS 16 2.035 -3.892 4.076 111 2HB CYS 16 2HB CYS 16 3.197 -2.994 5.031 112 H ARG 17 H ARG 17 -0.502 -4.815 6.769 113 HA ARG 17 HA ARG 17 -1.258 -2.057 6.528 114 1HB ARG 17 1HB ARG 17 -2.584 -4.195 5.703 115 2HB ARG 17 2HB ARG 17 -3.112 -4.317 7.370 116 1HG ARG 17 1HG ARG 17 -4.811 -2.968 6.541 117 2HG ARG 17 2HG ARG 17 -3.687 -1.722 7.047 118 1HD ARG 17 1HD ARG 17 -4.454 -1.224 4.771 119 2HD ARG 17 2HD ARG 17 -2.751 -1.633 4.717 120 HE ARG 17 HE ARG 17 -3.266 -3.582 3.512 121 1HH1 ARG 17 2HH2 ARG 17 -6.208 -2.251 4.912 122 2HH1 ARG 17 1HH2 ARG 17 -7.259 -3.298 4.018 123 1HH2 ARG 17 2HH1 ARG 17 -4.647 -5.064 2.448 124 2HH2 ARG 17 1HH1 ARG 17 -6.365 -4.879 2.571 125 H LEU 18 H LEU 18 -1.542 -4.747 8.970 126 HA LEU 18 HA LEU 18 -2.546 -3.205 11.034 127 1HB LEU 18 1HB LEU 18 -2.313 -5.059 12.304 128 2HB LEU 18 2HB LEU 18 -2.217 -5.777 10.708 129 HG LEU 18 HG LEU 18 -0.477 -6.845 11.717 130 1HD1 LEU 18 1HD1 LEU 18 1.341 -6.242 10.547 131 2HD1 LEU 18 2HD1 LEU 18 0.272 -4.991 9.868 132 3HD1 LEU 18 3HD1 LEU 18 1.360 -4.594 11.220 133 1HD2 LEU 18 1HD2 LEU 18 0.903 -6.012 13.502 134 2HD2 LEU 18 2HD2 LEU 18 0.259 -4.366 13.294 135 3HD2 LEU 18 3HD2 LEU 18 -0.802 -5.668 13.883 136 HA PRO 19 HA PRO 19 0.817 -0.928 12.489 137 1HB PRO 19 1HB PRO 19 0.398 -0.826 15.188 138 2HB PRO 19 2HB PRO 19 -0.472 0.177 14.044 139 1HG PRO 19 1HG PRO 19 -1.419 -2.208 15.512 140 2HG PRO 19 2HG PRO 19 -2.361 -0.964 14.715 141 1HD PRO 19 1HD PRO 19 -1.838 -3.610 13.740 142 2HD PRO 19 2HD PRO 19 -2.681 -2.329 12.892 143 H GLY 20 H GLY 20 2.433 -2.400 11.717 144 1HA GLY 20 1HA GLY 20 4.154 -3.176 13.862 145 2HA GLY 20 2HA GLY 20 3.371 -4.561 13.128 146 H THR 21 H THR 21 3.201 -3.971 10.440 147 HA THR 21 HA THR 21 4.377 -4.019 8.554 148 HB THR 21 HB THR 21 6.339 -2.106 9.904 149 HG1 THR 21 1HG THR 21 4.335 -1.174 10.347 150 1HG2 THR 21 1HG2 THR 21 6.382 -1.046 7.700 151 2HG2 THR 21 2HG2 THR 21 6.686 -2.783 7.460 152 3HG2 THR 21 3HG2 THR 21 5.077 -2.106 7.116 153 H SER 22 H SER 22 5.037 -6.107 8.354 154 HA SER 22 HA SER 22 6.875 -7.337 9.941 155 1HB SER 22 1HB SER 22 5.522 -8.668 8.487 156 2HB SER 22 2HB SER 22 6.030 -7.786 7.061 157 HG SER 22 HG SER 22 7.658 -9.564 8.666 158 H GLU 23 H GLU 23 7.462 -6.068 6.572 159 HA GLU 23 HA GLU 23 10.282 -6.078 7.151 160 1HB GLU 23 1HB GLU 23 8.619 -5.691 4.647 161 2HB GLU 23 2HB GLU 23 10.315 -5.250 4.654 162 1HG GLU 23 1HG GLU 23 9.327 -7.998 5.537 163 2HG GLU 23 2HG GLU 23 9.772 -7.642 3.880 164 HE2 GLU 23 HE GLU 23 11.781 -6.788 3.598 165 H ALA 24 H ALA 24 8.602 -3.663 5.091 166 HA ALA 24 HA ALA 24 8.629 -1.567 6.946 167 1HB ALA 24 1HB ALA 24 10.565 -0.309 5.729 168 2HB ALA 24 2HB ALA 24 10.977 -1.518 6.968 169 3HB ALA 24 3HB ALA 24 11.100 -1.935 5.242 170 H ILE 25 H ILE 25 9.946 -1.048 3.688 171 HA ILE 25 HA ILE 25 7.416 0.173 2.959 172 HB ILE 25 HB ILE 25 10.065 0.171 1.510 173 1HG1 ILE 25 1HG1 ILE 25 10.411 1.141 3.685 174 2HG1 ILE 25 2HG1 ILE 25 10.383 2.421 2.488 175 1HG2 ILE 25 1HG2 ILE 25 7.487 1.694 1.141 176 2HG2 ILE 25 2HG2 ILE 25 9.044 2.300 0.528 177 3HG2 ILE 25 3HG2 ILE 25 8.406 0.741 -0.048 178 1HD1 ILE 25 1HD1 ILE 25 8.158 1.644 4.418 179 2HD1 ILE 25 2HD1 ILE 25 9.037 3.189 4.329 180 3HD1 ILE 25 3HD1 ILE 25 7.896 2.739 3.040 181 H CYS 26 H CYS 26 6.100 -1.708 2.690 182 HA CYS 26 HA CYS 26 6.992 -3.678 0.792 183 1HB CYS 26 1HB CYS 26 4.200 -3.633 1.835 184 2HB CYS 26 2HB CYS 26 5.255 -4.992 1.499 185 H ALA 27 H ALA 27 5.464 -0.597 0.805 186 HA ALA 27 HA ALA 27 3.487 -0.794 -1.085 187 1HB ALA 27 1HB ALA 27 3.970 1.223 0.223 188 2HB ALA 27 2HB ALA 27 5.524 1.423 -0.622 189 3HB ALA 27 3HB ALA 27 3.996 1.603 -1.516 190 H THR 28 H THR 28 7.061 -0.477 -1.526 191 HA THR 28 HA THR 28 6.865 -0.407 -4.371 192 HB THR 28 HB THR 28 9.424 -0.832 -4.036 193 HG1 THR 28 1HG THR 28 10.006 -0.791 -1.795 194 1HG2 THR 28 1HG2 THR 28 9.822 1.410 -3.053 195 2HG2 THR 28 2HG2 THR 28 8.474 1.500 -4.212 196 3HG2 THR 28 3HG2 THR 28 8.143 1.466 -2.464 197 H TYR 29 H TYR 29 7.294 -2.961 -1.904 198 HA TYR 29 HA TYR 29 8.038 -4.981 -3.705 199 1HB TYR 29 1HB TYR 29 8.173 -4.880 -1.130 200 2HB TYR 29 2HB TYR 29 6.428 -5.036 -1.076 201 HD1 TYR 29 1HD TYR 29 9.550 -6.796 -2.078 202 HD2 TYR 29 2HD TYR 29 5.379 -7.166 -1.201 203 HE1 TYR 29 1HE TYR 29 9.769 -9.329 -2.068 204 HE2 TYR 29 2HE TYR 29 5.612 -9.698 -1.194 205 HH TYR 29 HH TYR 29 6.929 -11.382 -1.461 206 H THR 30 H THR 30 4.960 -3.428 -2.997 207 HA THR 30 HA THR 30 3.523 -5.622 -4.313 208 HB THR 30 HB THR 30 1.532 -4.191 -3.408 209 HG1 THR 30 1HG THR 30 3.006 -2.310 -3.090 210 1HG2 THR 30 1HG2 THR 30 3.521 -5.164 -1.296 211 2HG2 THR 30 2HG2 THR 30 1.753 -5.041 -1.132 212 3HG2 THR 30 3HG2 THR 30 2.463 -6.264 -2.212 213 H GLY 31 H GLY 31 5.309 -3.118 -5.324 214 1HA GLY 31 1HA GLY 31 5.362 -1.956 -7.248 215 2HA GLY 31 2HA GLY 31 4.051 -2.959 -7.837 216 H CYS 32 H CYS 32 3.508 -1.272 -4.801 217 HA CYS 32 HA CYS 32 1.512 0.339 -6.132 218 1HB CYS 32 1HB CYS 32 2.105 0.011 -3.184 219 2HB CYS 32 2HB CYS 32 0.740 0.869 -3.871 220 H ILE 33 H ILE 33 1.333 2.713 -5.114 221 HA ILE 33 HA ILE 33 4.012 3.859 -5.363 222 HB ILE 33 HB ILE 33 2.848 5.934 -5.899 223 1HG1 ILE 33 1HG1 ILE 33 0.217 4.506 -6.055 224 2HG1 ILE 33 2HG1 ILE 33 0.753 5.114 -4.502 225 1HG2 ILE 33 1HG2 ILE 33 3.490 4.373 -7.682 226 2HG2 ILE 33 2HG2 ILE 33 1.897 3.586 -7.564 227 3HG2 ILE 33 3HG2 ILE 33 2.015 5.282 -8.092 228 1HD1 ILE 33 1HD1 ILE 33 1.049 7.385 -5.466 229 2HD1 ILE 33 2HD1 ILE 33 0.534 6.773 -7.057 230 3HD1 ILE 33 3HD1 ILE 33 -0.616 6.801 -5.698 231 H ILE 34 H ILE 34 4.457 5.832 -3.970 232 HA ILE 34 HA ILE 34 3.521 5.217 -1.268 233 HB ILE 34 HB ILE 34 5.951 6.667 -2.313 234 1HG1 ILE 34 1HG1 ILE 34 5.913 4.208 -0.573 235 2HG1 ILE 34 2HG1 ILE 34 5.723 4.072 -2.310 236 1HG2 ILE 34 1HG2 ILE 34 5.249 7.846 -0.345 237 2HG2 ILE 34 2HG2 ILE 34 4.994 6.322 0.540 238 3HG2 ILE 34 3HG2 ILE 34 6.640 6.818 0.078 239 1HD1 ILE 34 1HD1 ILE 34 8.056 5.404 -0.860 240 2HD1 ILE 34 2HD1 ILE 34 8.096 3.851 -1.729 241 3HD1 ILE 34 3HD1 ILE 34 7.852 5.368 -2.628 242 H ILE 35 H ILE 35 2.519 6.763 0.035 243 HA ILE 35 HA ILE 35 2.117 9.396 -1.152 244 HB ILE 35 HB ILE 35 -0.299 9.266 -0.571 245 1HG1 ILE 35 1HG1 ILE 35 -0.904 6.580 -0.732 246 2HG1 ILE 35 2HG1 ILE 35 0.510 6.577 0.303 247 1HG2 ILE 35 1HG2 ILE 35 0.556 9.052 -2.880 248 2HG2 ILE 35 2HG2 ILE 35 0.611 7.285 -2.675 249 3HG2 ILE 35 3HG2 ILE 35 -0.948 8.141 -2.610 250 1HD1 ILE 35 1HD1 ILE 35 -1.672 6.837 1.553 251 2HD1 ILE 35 2HD1 ILE 35 -0.520 8.162 1.847 252 3HD1 ILE 35 3HD1 ILE 35 -1.893 8.406 0.742 253 HA PRO 36 HA PRO 36 2.878 10.506 2.956 254 1HB PRO 36 1HB PRO 36 2.172 13.145 2.869 255 2HB PRO 36 2HB PRO 36 3.723 12.549 2.313 256 1HG PRO 36 1HG PRO 36 1.398 13.434 0.717 257 2HG PRO 36 2HG PRO 36 3.066 13.247 0.215 258 1HD PRO 36 1HD PRO 36 0.892 11.464 -0.354 259 2HD PRO 36 2HD PRO 36 2.580 11.220 -0.755 260 H GLY 37 H GLY 37 1.683 12.226 4.679 261 1HA GLY 37 1HA GLY 37 -0.222 10.823 5.917 262 2HA GLY 37 2HA GLY 37 -0.205 12.575 5.894 263 H ALA 38 H ALA 38 -1.730 9.653 4.658 264 HA ALA 38 HA ALA 38 -3.336 9.373 3.077 265 1HB ALA 38 1HB ALA 38 -4.452 9.615 5.246 266 2HB ALA 38 2HB ALA 38 -4.526 11.381 5.033 267 3HB ALA 38 3HB ALA 38 -5.463 10.315 3.958 268 H THR 39 H THR 39 -1.947 10.493 1.374 269 HA THR 39 HA THR 39 -3.499 12.729 0.308 270 HB THR 39 HB THR 39 -0.496 12.694 0.880 271 HG1 THR 39 1HG THR 39 -2.758 14.504 1.361 272 1HG2 THR 39 1HG2 THR 39 -0.639 13.688 -1.323 273 2HG2 THR 39 2HG2 THR 39 -2.174 14.498 -0.927 274 3HG2 THR 39 3HG2 THR 39 -0.656 15.053 -0.180 275 H CYS 40 H CYS 40 -4.389 11.007 -1.023 276 HA CYS 40 HA CYS 40 -2.454 9.958 -2.938 277 1HB CYS 40 1HB CYS 40 -5.310 9.123 -2.390 278 2HB CYS 40 2HB CYS 40 -4.257 8.403 -3.591 279 HA PRO 41 HA PRO 41 -4.109 12.610 -5.971 280 1HB PRO 41 1HB PRO 41 -3.597 11.236 -8.277 281 2HB PRO 41 2HB PRO 41 -2.381 12.169 -7.427 282 1HG PRO 41 1HG PRO 41 -2.723 9.234 -7.539 283 2HG PRO 41 2HG PRO 41 -1.310 10.158 -7.068 284 1HD PRO 41 1HD PRO 41 -3.140 8.809 -5.318 285 2HD PRO 41 2HD PRO 41 -1.794 9.828 -4.845 286 H GLY 42 H GLY 42 -5.308 9.394 -5.768 287 1HA GLY 42 1HA GLY 42 -7.691 9.163 -5.627 288 2HA GLY 42 2HA GLY 42 -7.864 10.391 -6.865 289 H ASP 43 H ASP 43 -5.293 9.023 -8.160 290 HA ASP 43 HA ASP 43 -6.839 7.448 -9.924 291 1HB ASP 43 1HB ASP 43 -3.821 7.851 -9.673 292 2HB ASP 43 2HB ASP 43 -4.589 7.015 -11.008 293 HD2 ASP 43 HD ASP 43 -4.952 11.011 -10.832 294 H TYR 44 H TYR 44 -4.777 6.957 -7.083 295 HA TYR 44 HA TYR 44 -4.902 4.047 -7.506 296 1HB TYR 44 1HB TYR 44 -3.041 5.937 -5.937 297 2HB TYR 44 2HB TYR 44 -2.926 4.193 -5.822 298 HD1 TYR 44 1HD TYR 44 -1.892 2.884 -7.568 299 HD2 TYR 44 2HD TYR 44 -2.443 7.099 -8.058 300 HE1 TYR 44 1HE TYR 44 -0.333 2.862 -9.577 301 HE2 TYR 44 2HE TYR 44 -0.883 7.062 -10.065 302 HH TYR 44 HH TYR 44 0.382 5.870 -11.336 303 H ALA 45 H ALA 45 -6.757 6.269 -6.155 304 HA ALA 45 HA ALA 45 -6.775 5.271 -3.437 305 1HB ALA 45 1HB ALA 45 -7.084 7.685 -3.963 306 2HB ALA 45 2HB ALA 45 -8.569 7.280 -4.858 307 3HB ALA 45 3HB ALA 45 -8.482 6.995 -3.104 308 H ASN 46 H ASN 46 -7.182 2.993 -4.239 309 HA ASN 46 HA ASN 46 -9.909 2.651 -5.149 310 1HB ASN 46 1HB ASN 46 -9.214 0.279 -5.556 311 2HB ASN 46 2HB ASN 46 -8.150 1.405 -6.375 312 1HD2 ASN 46 2HD2 ASN 46 -7.088 -0.912 -6.133 313 2HD2 ASN 46 1HD2 ASN 46 -5.937 -1.060 -4.847 Start of MODEL 8 1 H THR 1 H THR 1 -8.077 -3.520 -4.668 2 HA THR 1 HA THR 1 -5.858 -5.072 -3.859 3 HB THR 1 HB THR 1 -6.183 -5.964 -6.203 4 HG1 THR 1 1HG THR 1 -3.940 -4.101 -5.914 5 1HG2 THR 1 1HG2 THR 1 -7.052 -3.874 -7.289 6 2HG2 THR 1 2HG2 THR 1 -5.494 -3.076 -6.964 7 3HG2 THR 1 3HG2 THR 1 -5.571 -4.454 -8.088 8 H THR 2 H THR 2 -3.942 -3.796 -3.567 9 HA THR 2 HA THR 2 -4.572 -0.920 -3.628 10 HB THR 2 HB THR 2 -2.801 -2.617 -1.793 11 HG1 THR 2 1HG THR 2 -5.175 -2.640 -1.510 12 1HG2 THR 2 1HG2 THR 2 -3.428 0.383 -1.788 13 2HG2 THR 2 2HG2 THR 2 -2.648 -0.492 -0.448 14 3HG2 THR 2 3HG2 THR 2 -1.820 -0.346 -2.017 15 H CYS 3 H CYS 3 -3.249 0.520 -4.638 16 HA CYS 3 HA CYS 3 -0.967 -0.699 -6.013 17 1HB CYS 3 1HB CYS 3 -3.039 1.244 -6.892 18 2HB CYS 3 2HB CYS 3 -1.405 1.516 -7.464 19 H CYS 4 H CYS 4 1.049 0.397 -5.865 20 HA CYS 4 HA CYS 4 1.023 2.730 -4.091 21 1HB CYS 4 1HB CYS 4 3.019 0.461 -4.182 22 2HB CYS 4 2HB CYS 4 3.275 1.961 -3.314 23 HA PRO 5 HA PRO 5 3.271 4.610 -7.314 24 1HB PRO 5 1HB PRO 5 4.624 6.579 -5.987 25 2HB PRO 5 2HB PRO 5 2.936 6.713 -6.437 26 1HG PRO 5 1HG PRO 5 4.108 6.200 -3.772 27 2HG PRO 5 2HG PRO 5 2.494 6.753 -4.174 28 1HD PRO 5 1HD PRO 5 3.251 4.106 -3.370 29 2HD PRO 5 2HD PRO 5 1.660 4.631 -3.883 30 H SER 6 H SER 6 5.442 4.425 -4.524 31 HA SER 6 HA SER 6 7.488 3.609 -6.410 32 1HB SER 6 1HB SER 6 9.099 4.270 -4.759 33 2HB SER 6 2HB SER 6 7.881 5.529 -4.789 34 HG SER 6 HG SER 6 8.333 4.996 -2.612 35 H ILE 7 H ILE 7 9.022 1.818 -5.646 36 HA ILE 7 HA ILE 7 7.450 -0.418 -4.840 37 HB ILE 7 HB ILE 7 10.371 -0.045 -5.486 38 1HG1 ILE 7 1HG1 ILE 7 8.385 -1.635 -7.086 39 2HG1 ILE 7 2HG1 ILE 7 8.417 0.111 -7.235 40 1HG2 ILE 7 1HG2 ILE 7 10.437 -2.556 -5.577 41 2HG2 ILE 7 2HG2 ILE 7 10.312 -1.859 -3.944 42 3HG2 ILE 7 3HG2 ILE 7 8.875 -2.562 -4.724 43 1HD1 ILE 7 1HD1 ILE 7 10.804 -1.749 -7.643 44 2HD1 ILE 7 2HD1 ILE 7 9.888 -0.922 -8.926 45 3HD1 ILE 7 3HD1 ILE 7 10.856 0.026 -7.771 46 H VAL 8 H VAL 8 9.613 1.913 -3.283 47 HA VAL 8 HA VAL 8 10.217 0.373 -1.015 48 HB VAL 8 HB VAL 8 10.109 3.344 -1.544 49 1HG1 VAL 8 1HG1 VAL 8 9.832 3.101 0.827 50 2HG1 VAL 8 2HG1 VAL 8 11.104 1.858 0.907 51 3HG1 VAL 8 3HG1 VAL 8 11.530 3.544 0.524 52 1HG2 VAL 8 1HG2 VAL 8 12.572 3.132 -1.611 53 2HG2 VAL 8 2HG2 VAL 8 12.415 1.373 -1.383 54 3HG2 VAL 8 3HG2 VAL 8 11.776 2.140 -2.856 55 H ALA 9 H ALA 9 7.538 2.648 -1.829 56 HA ALA 9 HA ALA 9 6.369 2.723 0.685 57 1HB ALA 9 1HB ALA 9 5.786 4.254 -1.125 58 2HB ALA 9 2HB ALA 9 5.151 2.907 -2.100 59 3HB ALA 9 3HB ALA 9 4.327 3.382 -0.596 60 H ARG 10 H ARG 10 6.084 0.364 -2.019 61 HA ARG 10 HA ARG 10 3.991 -1.050 -0.836 62 1HB ARG 10 1HB ARG 10 4.512 -1.226 -3.247 63 2HB ARG 10 2HB ARG 10 6.093 -1.893 -2.893 64 1HG ARG 10 1HG ARG 10 4.777 -3.804 -3.398 65 2HG ARG 10 2HG ARG 10 4.844 -3.797 -1.647 66 1HD ARG 10 1HD ARG 10 2.542 -4.151 -2.103 67 2HD ARG 10 2HD ARG 10 2.619 -2.439 -1.737 68 HE ARG 10 HE ARG 10 3.033 -2.630 -4.514 69 1HH1 ARG 10 2HH2 ARG 10 0.471 -3.262 -2.191 70 2HH1 ARG 10 1HH2 ARG 10 -0.796 -3.175 -3.370 71 1HH2 ARG 10 2HH1 ARG 10 1.368 -2.587 -6.086 72 2HH2 ARG 10 1HH1 ARG 10 -0.280 -2.809 -5.603 73 H SER 11 H SER 11 7.587 -1.391 -0.827 74 HA SER 11 HA SER 11 7.699 -3.827 0.446 75 1HB SER 11 1HB SER 11 9.636 -2.739 -0.640 76 2HB SER 11 2HB SER 11 9.635 -1.473 0.571 77 HG SER 11 HG SER 11 10.164 -4.288 0.996 78 H ASN 12 H ASN 12 7.189 -0.513 1.671 79 HA ASN 12 HA ASN 12 7.659 -1.214 4.364 80 1HB ASN 12 1HB ASN 12 6.573 1.174 2.867 81 2HB ASN 12 2HB ASN 12 6.190 1.066 4.574 82 1HD2 ASN 12 2HD2 ASN 12 8.900 0.755 2.297 83 2HD2 ASN 12 1HD2 ASN 12 10.123 1.452 3.306 84 H PHE 13 H PHE 13 4.804 -0.767 2.186 85 HA PHE 13 HA PHE 13 2.833 -1.040 4.142 86 1HB PHE 13 1HB PHE 13 2.541 -0.176 1.794 87 2HB PHE 13 2HB PHE 13 2.969 -1.749 1.150 88 HD1 PHE 13 1HD PHE 13 0.588 -0.613 3.803 89 HD2 PHE 13 2HD PHE 13 1.147 -2.768 0.190 90 HE1 PHE 13 1HE PHE 13 -1.831 -1.281 3.827 91 HE2 PHE 13 2HE PHE 13 -1.273 -3.436 0.215 92 HZ PHE 13 HZ PHE 13 -2.733 -2.685 2.033 93 H ASN 14 H ASN 14 4.819 -3.408 2.381 94 HA ASN 14 HA ASN 14 3.216 -5.609 2.663 95 1HB ASN 14 1HB ASN 14 6.253 -5.275 2.657 96 2HB ASN 14 2HB ASN 14 5.509 -6.862 2.705 97 1HD2 ASN 14 2HD2 ASN 14 7.108 -6.323 0.655 98 2HD2 ASN 14 1HD2 ASN 14 6.244 -6.074 -0.825 99 H VAL 15 H VAL 15 5.364 -3.885 4.943 100 HA VAL 15 HA VAL 15 5.467 -5.942 6.887 101 HB VAL 15 HB VAL 15 5.901 -2.959 7.134 102 1HG1 VAL 15 1HG1 VAL 15 5.631 -3.937 9.318 103 2HG1 VAL 15 2HG1 VAL 15 6.726 -5.279 8.908 104 3HG1 VAL 15 3HG1 VAL 15 7.364 -3.623 9.057 105 1HG2 VAL 15 1HG2 VAL 15 8.357 -3.690 6.962 106 2HG2 VAL 15 2HG2 VAL 15 7.729 -5.215 6.291 107 3HG2 VAL 15 3HG2 VAL 15 7.399 -3.675 5.462 108 H CYS 16 H CYS 16 3.154 -3.422 6.000 109 HA CYS 16 HA CYS 16 1.807 -3.478 8.508 110 1HB CYS 16 1HB CYS 16 1.852 -1.533 6.924 111 2HB CYS 16 2HB CYS 16 0.801 -2.439 5.854 112 H ARG 17 H ARG 17 1.920 -5.393 5.579 113 HA ARG 17 HA ARG 17 -0.697 -6.477 6.026 114 1HB ARG 17 1HB ARG 17 1.474 -7.150 3.977 115 2HB ARG 17 2HB ARG 17 -0.110 -7.900 3.999 116 1HG ARG 17 1HG ARG 17 0.382 -4.896 3.728 117 2HG ARG 17 2HG ARG 17 0.047 -5.972 2.387 118 1HD ARG 17 1HD ARG 17 -2.112 -5.205 2.825 119 2HD ARG 17 2HD ARG 17 -2.095 -6.634 3.839 120 HE ARG 17 HE ARG 17 -1.181 -4.120 5.115 121 1HH1 ARG 17 2HH2 ARG 17 -4.165 -5.639 4.236 122 2HH1 ARG 17 1HH2 ARG 17 -4.875 -5.525 5.812 123 1HH2 ARG 17 2HH1 ARG 17 -1.975 -4.275 7.361 124 2HH2 ARG 17 1HH1 ARG 17 -3.682 -4.507 7.536 125 H LEU 18 H LEU 18 2.739 -7.230 6.562 126 HA LEU 18 HA LEU 18 2.259 -9.993 7.147 127 1HB LEU 18 1HB LEU 18 4.546 -8.169 6.913 128 2HB LEU 18 2HB LEU 18 4.727 -9.374 8.172 129 HG LEU 18 HG LEU 18 4.170 -11.136 6.439 130 1HD1 LEU 18 1HD1 LEU 18 4.384 -10.580 4.091 131 2HD1 LEU 18 2HD1 LEU 18 3.070 -9.629 4.824 132 3HD1 LEU 18 3HD1 LEU 18 4.642 -8.864 4.489 133 1HD2 LEU 18 1HD2 LEU 18 6.442 -10.781 7.207 134 2HD2 LEU 18 2HD2 LEU 18 6.433 -11.122 5.461 135 3HD2 LEU 18 3HD2 LEU 18 6.660 -9.455 6.040 136 HA PRO 19 HA PRO 19 1.445 -9.634 11.370 137 1HB PRO 19 1HB PRO 19 2.707 -11.790 12.478 138 2HB PRO 19 2HB PRO 19 1.179 -11.907 11.628 139 1HG PRO 19 1HG PRO 19 3.873 -12.708 10.714 140 2HG PRO 19 2HG PRO 19 2.311 -13.191 10.083 141 1HD PRO 19 1HD PRO 19 4.114 -11.283 8.927 142 2HD PRO 19 2HD PRO 19 2.504 -11.681 8.360 143 H GLY 20 H GLY 20 4.454 -9.020 10.231 144 1HA GLY 20 1HA GLY 20 6.020 -8.836 12.525 145 2HA GLY 20 2HA GLY 20 6.202 -7.884 11.066 146 H THR 21 H THR 21 3.626 -6.544 11.084 147 HA THR 21 HA THR 21 3.695 -5.067 13.617 148 HB THR 21 HB THR 21 3.916 -3.922 10.785 149 HG1 THR 21 1HG THR 21 5.957 -3.254 11.718 150 1HG2 THR 21 1HG2 THR 21 4.060 -1.716 11.952 151 2HG2 THR 21 2HG2 THR 21 2.464 -2.461 12.208 152 3HG2 THR 21 3HG2 THR 21 3.689 -2.514 13.499 153 H SER 22 H SER 22 1.974 -4.578 10.481 154 HA SER 22 HA SER 22 -0.163 -4.215 10.145 155 1HB SER 22 1HB SER 22 -0.133 -6.608 9.849 156 2HB SER 22 2HB SER 22 -0.176 -6.898 11.577 157 HG SER 22 HG SER 22 -2.335 -6.138 11.663 158 H GLU 23 H GLU 23 0.092 -2.353 11.832 159 HA GLU 23 HA GLU 23 -1.262 -2.906 14.306 160 1HB GLU 23 1HB GLU 23 0.219 -0.526 13.160 161 2HB GLU 23 2HB GLU 23 -0.804 -0.322 14.568 162 1HG GLU 23 1HG GLU 23 0.468 -2.005 15.820 163 2HG GLU 23 2HG GLU 23 1.394 -2.433 14.395 164 HE2 GLU 23 HE GLU 23 2.645 0.540 16.617 165 H ALA 24 H ALA 24 -1.633 -0.629 11.491 166 HA ALA 24 HA ALA 24 -4.504 -0.943 11.692 167 1HB ALA 24 1HB ALA 24 -3.709 0.974 13.243 168 2HB ALA 24 2HB ALA 24 -3.333 1.850 11.741 169 3HB ALA 24 3HB ALA 24 -5.003 1.335 12.076 170 H ILE 25 H ILE 25 -4.994 1.376 9.951 171 HA ILE 25 HA ILE 25 -4.218 0.124 7.491 172 HB ILE 25 HB ILE 25 -5.842 2.596 8.099 173 1HG1 ILE 25 1HG1 ILE 25 -6.926 -0.027 7.101 174 2HG1 ILE 25 2HG1 ILE 25 -6.613 0.198 8.811 175 1HG2 ILE 25 1HG2 ILE 25 -6.635 2.342 5.740 176 2HG2 ILE 25 2HG2 ILE 25 -4.936 2.848 5.900 177 3HG2 ILE 25 3HG2 ILE 25 -5.326 1.163 5.482 178 1HD1 ILE 25 1HD1 ILE 25 -8.388 1.973 7.071 179 2HD1 ILE 25 2HD1 ILE 25 -8.941 0.808 8.298 180 3HD1 ILE 25 3HD1 ILE 25 -8.038 2.260 8.792 181 H CYS 26 H CYS 26 -1.991 0.305 7.211 182 HA CYS 26 HA CYS 26 -0.817 2.929 7.505 183 1HB CYS 26 1HB CYS 26 0.761 0.646 6.447 184 2HB CYS 26 2HB CYS 26 1.218 1.912 7.569 185 H ALA 27 H ALA 27 -2.570 1.183 5.194 186 HA ALA 27 HA ALA 27 -1.246 1.401 2.832 187 1HB ALA 27 1HB ALA 27 -4.187 1.954 3.402 188 2HB ALA 27 2HB ALA 27 -3.497 1.531 1.816 189 3HB ALA 27 3HB ALA 27 -3.454 0.352 3.149 190 H THR 28 H THR 28 -2.971 3.970 4.677 191 HA THR 28 HA THR 28 -2.265 5.919 2.630 192 HB THR 28 HB THR 28 -3.827 6.175 5.254 193 HG1 THR 28 1HG THR 28 -5.613 5.894 3.728 194 1HG2 THR 28 1HG2 THR 28 -3.061 8.366 4.270 195 2HG2 THR 28 2HG2 THR 28 -3.789 7.892 2.716 196 3HG2 THR 28 3HG2 THR 28 -4.824 8.156 4.140 197 H TYR 29 H TYR 29 -1.207 4.757 5.792 198 HA TYR 29 HA TYR 29 0.467 7.098 6.169 199 1HB TYR 29 1HB TYR 29 -0.896 5.232 7.770 200 2HB TYR 29 2HB TYR 29 0.736 4.594 7.815 201 HD1 TYR 29 1HD TYR 29 -1.176 6.023 9.975 202 HD2 TYR 29 2HD TYR 29 2.282 7.192 7.742 203 HE1 TYR 29 1HE TYR 29 -0.565 7.700 11.785 204 HE2 TYR 29 2HE TYR 29 2.881 8.865 9.560 205 HH TYR 29 HH TYR 29 2.346 9.719 11.463 206 H THR 30 H THR 30 0.850 5.203 3.822 207 HA THR 30 HA THR 30 3.688 4.721 4.331 208 HB THR 30 HB THR 30 2.236 2.605 4.747 209 HG1 THR 30 1HG THR 30 3.882 1.428 3.481 210 1HG2 THR 30 1HG2 THR 30 0.932 3.200 2.447 211 2HG2 THR 30 2HG2 THR 30 2.294 2.293 1.748 212 3HG2 THR 30 3HG2 THR 30 1.226 1.515 2.940 213 H GLY 31 H GLY 31 1.762 6.635 2.807 214 1HA GLY 31 1HA GLY 31 2.302 7.906 0.968 215 2HA GLY 31 2HA GLY 31 3.391 6.658 0.396 216 H CYS 32 H CYS 32 1.621 4.380 0.527 217 HA CYS 32 HA CYS 32 0.386 4.610 -1.944 218 1HB CYS 32 1HB CYS 32 -0.315 2.594 0.193 219 2HB CYS 32 2HB CYS 32 -0.512 2.427 -1.540 220 H ILE 33 H ILE 33 -2.169 3.835 -2.010 221 HA ILE 33 HA ILE 33 -3.633 5.488 -0.091 222 HB ILE 33 HB ILE 33 -5.004 6.393 -1.899 223 1HG1 ILE 33 1HG1 ILE 33 -2.984 5.206 -3.820 224 2HG1 ILE 33 2HG1 ILE 33 -4.560 4.508 -3.508 225 1HG2 ILE 33 1HG2 ILE 33 -2.980 7.575 -0.974 226 2HG2 ILE 33 2HG2 ILE 33 -2.086 7.009 -2.406 227 3HG2 ILE 33 3HG2 ILE 33 -3.491 8.085 -2.602 228 1HD1 ILE 33 1HD1 ILE 33 -5.595 6.751 -4.146 229 2HD1 ILE 33 2HD1 ILE 33 -3.972 7.268 -4.661 230 3HD1 ILE 33 3HD1 ILE 33 -4.770 5.901 -5.475 231 H ILE 34 H ILE 34 -6.148 5.027 -0.513 232 HA ILE 34 HA ILE 34 -6.330 2.109 -0.550 233 HB ILE 34 HB ILE 34 -8.146 4.226 0.607 234 1HG1 ILE 34 1HG1 ILE 34 -6.449 2.166 2.039 235 2HG1 ILE 34 2HG1 ILE 34 -5.932 3.816 1.750 236 1HG2 ILE 34 1HG2 ILE 34 -9.424 2.380 1.573 237 2HG2 ILE 34 2HG2 ILE 34 -9.443 2.318 -0.206 238 3HG2 ILE 34 3HG2 ILE 34 -8.398 1.207 0.713 239 1HD1 ILE 34 1HD1 ILE 34 -8.143 4.551 2.884 240 2HD1 ILE 34 2HD1 ILE 34 -8.283 2.861 3.426 241 3HD1 ILE 34 3HD1 ILE 34 -6.891 3.847 3.935 242 H ILE 35 H ILE 35 -7.186 1.100 -2.283 243 HA ILE 35 HA ILE 35 -9.179 2.551 -3.841 244 HB ILE 35 HB ILE 35 -8.014 1.688 -5.924 245 1HG1 ILE 35 1HG1 ILE 35 -5.413 1.816 -4.502 246 2HG1 ILE 35 2HG1 ILE 35 -6.365 0.373 -4.216 247 1HG2 ILE 35 1HG2 ILE 35 -6.586 3.663 -6.082 248 2HG2 ILE 35 2HG2 ILE 35 -8.145 4.055 -5.317 249 3HG2 ILE 35 3HG2 ILE 35 -6.681 3.886 -4.319 250 1HD1 ILE 35 1HD1 ILE 35 -5.546 1.477 -6.941 251 2HD1 ILE 35 2HD1 ILE 35 -4.916 0.009 -6.157 252 3HD1 ILE 35 3HD1 ILE 35 -6.608 0.069 -6.704 253 HA PRO 36 HA PRO 36 -11.059 -1.332 -3.807 254 1HB PRO 36 1HB PRO 36 -12.754 -1.145 -5.943 255 2HB PRO 36 2HB PRO 36 -13.100 -0.434 -4.379 256 1HG PRO 36 1HG PRO 36 -12.239 0.900 -6.873 257 2HG PRO 36 2HG PRO 36 -12.988 1.604 -5.453 258 1HD PRO 36 1HD PRO 36 -10.217 1.746 -6.180 259 2HD PRO 36 2HD PRO 36 -10.946 2.349 -4.705 260 H GLY 37 H GLY 37 -11.918 -3.150 -5.540 261 1HA GLY 37 1HA GLY 37 -9.413 -4.141 -6.566 262 2HA GLY 37 2HA GLY 37 -10.974 -4.936 -6.587 263 H ALA 38 H ALA 38 -8.868 -4.511 -8.750 264 HA ALA 38 HA ALA 38 -8.748 -4.002 -10.903 265 1HB ALA 38 1HB ALA 38 -10.697 -5.571 -10.886 266 2HB ALA 38 2HB ALA 38 -11.787 -4.167 -10.788 267 3HB ALA 38 3HB ALA 38 -10.760 -4.398 -12.223 268 H THR 39 H THR 39 -8.741 -1.792 -9.016 269 HA THR 39 HA THR 39 -9.605 0.298 -10.867 270 HB THR 39 HB THR 39 -10.271 0.244 -7.876 271 HG1 THR 39 1HG THR 39 -11.699 -1.147 -8.992 272 1HG2 THR 39 1HG2 THR 39 -10.090 2.557 -8.660 273 2HG2 THR 39 2HG2 THR 39 -10.950 2.159 -10.166 274 3HG2 THR 39 3HG2 THR 39 -11.820 2.141 -8.614 275 H CYS 40 H CYS 40 -7.178 -0.103 -11.215 276 HA CYS 40 HA CYS 40 -5.700 1.374 -9.165 277 1HB CYS 40 1HB CYS 40 -4.987 -0.881 -10.967 278 2HB CYS 40 2HB CYS 40 -3.743 0.318 -10.669 279 HA PRO 41 HA PRO 41 -5.483 4.488 -12.235 280 1HB PRO 41 1HB PRO 41 -3.847 6.242 -10.924 281 2HB PRO 41 2HB PRO 41 -5.577 6.159 -10.653 282 1HG PRO 41 1HG PRO 41 -3.383 5.174 -8.934 283 2HG PRO 41 2HG PRO 41 -5.055 5.486 -8.510 284 1HD PRO 41 1HD PRO 41 -3.849 2.923 -8.964 285 2HD PRO 41 2HD PRO 41 -5.544 3.245 -8.655 286 H GLY 42 H GLY 42 -4.069 5.555 -13.775 287 1HA GLY 42 1HA GLY 42 -1.944 3.751 -14.479 288 2HA GLY 42 2HA GLY 42 -2.463 5.188 -15.337 289 H ASP 43 H ASP 43 -2.271 6.654 -12.542 290 HA ASP 43 HA ASP 43 0.101 7.898 -13.020 291 1HB ASP 43 1HB ASP 43 -0.102 8.753 -10.677 292 2HB ASP 43 2HB ASP 43 -1.613 8.850 -11.559 293 HD2 ASP 43 HD ASP 43 -1.849 9.083 -9.206 294 H TYR 44 H TYR 44 -0.695 4.948 -11.161 295 HA TYR 44 HA TYR 44 2.124 4.717 -10.357 296 1HB TYR 44 1HB TYR 44 -0.460 3.325 -9.413 297 2HB TYR 44 2HB TYR 44 1.110 3.133 -8.658 298 HD1 TYR 44 1HD TYR 44 -1.473 4.024 -7.293 299 HD2 TYR 44 2HD TYR 44 1.749 6.236 -9.035 300 HE1 TYR 44 1HE TYR 44 -1.973 5.981 -5.749 301 HE2 TYR 44 2HE TYR 44 1.238 8.186 -7.485 302 HH TYR 44 HH TYR 44 0.017 8.926 -5.870 303 H ALA 45 H ALA 45 -0.729 2.800 -11.538 304 HA ALA 45 HA ALA 45 -0.842 0.893 -12.666 305 1HB ALA 45 1HB ALA 45 0.534 0.780 -14.686 306 2HB ALA 45 2HB ALA 45 0.018 2.460 -14.404 307 3HB ALA 45 3HB ALA 45 1.678 1.960 -14.002 308 H ASN 46 H ASN 46 0.216 0.514 -10.138 309 HA ASN 46 HA ASN 46 2.181 -1.555 -10.713 310 1HB ASN 46 1HB ASN 46 2.130 0.358 -8.321 311 2HB ASN 46 2HB ASN 46 3.169 -1.050 -8.410 312 1HD2 ASN 46 2HD2 ASN 46 3.507 1.995 -8.432 313 2HD2 ASN 46 1HD2 ASN 46 4.563 2.342 -9.760 Start of MODEL 9 1 H THR 1 H THR 1 -3.792 -3.763 -7.771 2 HA THR 1 HA THR 1 -1.573 -5.585 -7.288 3 HB THR 1 HB THR 1 -1.807 -3.761 -9.741 4 HG1 THR 1 1HG THR 1 -2.933 -5.893 -9.718 5 1HG2 THR 1 1HG2 THR 1 0.548 -3.897 -8.901 6 2HG2 THR 1 2HG2 THR 1 0.412 -5.671 -8.832 7 3HG2 THR 1 3HG2 THR 1 0.352 -4.833 -10.402 8 H THR 2 H THR 2 -0.016 -4.722 -6.010 9 HA THR 2 HA THR 2 0.030 -1.815 -5.714 10 HB THR 2 HB THR 2 -0.193 -3.749 -3.351 11 HG1 THR 2 1HG THR 2 -2.052 -1.998 -4.799 12 1HG2 THR 2 1HG2 THR 2 -0.548 -0.715 -3.607 13 2HG2 THR 2 2HG2 THR 2 -0.777 -1.665 -2.119 14 3HG2 THR 2 3HG2 THR 2 0.844 -1.518 -2.840 15 H CYS 3 H CYS 3 2.045 -1.000 -5.604 16 HA CYS 3 HA CYS 3 4.178 -2.982 -5.494 17 1HB CYS 3 1HB CYS 3 3.894 -0.271 -6.717 18 2HB CYS 3 2HB CYS 3 5.491 -0.794 -6.220 19 H CYS 4 H CYS 4 5.658 -2.982 -3.787 20 HA CYS 4 HA CYS 4 5.602 -0.693 -1.989 21 1HB CYS 4 1HB CYS 4 5.454 -3.514 -0.928 22 2HB CYS 4 2HB CYS 4 5.367 -2.015 -0.024 23 HA PRO 5 HA PRO 5 9.878 -1.520 -1.994 24 1HB PRO 5 1HB PRO 5 10.700 -0.481 0.396 25 2HB PRO 5 2HB PRO 5 10.371 0.505 -1.015 26 1HG PRO 5 1HG PRO 5 8.736 0.153 1.422 27 2HG PRO 5 2HG PRO 5 8.651 1.422 0.217 28 1HD PRO 5 1HD PRO 5 6.862 -0.803 0.495 29 2HD PRO 5 2HD PRO 5 6.846 0.402 -0.778 30 H SER 6 H SER 6 7.975 -2.826 0.536 31 HA SER 6 HA SER 6 9.632 -5.140 0.473 32 1HB SER 6 1HB SER 6 10.374 -5.171 2.716 33 2HB SER 6 2HB SER 6 10.664 -3.518 2.213 34 HG SER 6 HG SER 6 9.582 -3.139 4.057 35 H ILE 7 H ILE 7 8.624 -6.519 2.695 36 HA ILE 7 HA ILE 7 5.805 -6.660 1.972 37 HB ILE 7 HB ILE 7 5.851 -8.861 2.585 38 1HG1 ILE 7 1HG1 ILE 7 6.595 -8.505 4.900 39 2HG1 ILE 7 2HG1 ILE 7 7.362 -9.899 4.166 40 1HG2 ILE 7 1HG2 ILE 7 7.957 -9.859 1.723 41 2HG2 ILE 7 2HG2 ILE 7 7.283 -8.592 0.670 42 3HG2 ILE 7 3HG2 ILE 7 8.682 -8.233 1.710 43 1HD1 ILE 7 1HD1 ILE 7 9.355 -8.409 3.601 44 2HD1 ILE 7 2HD1 ILE 7 8.586 -7.137 4.580 45 3HD1 ILE 7 3HD1 ILE 7 9.083 -8.667 5.342 46 H VAL 8 H VAL 8 7.717 -5.027 4.164 47 HA VAL 8 HA VAL 8 6.165 -5.490 6.519 48 HB VAL 8 HB VAL 8 8.162 -3.334 5.802 49 1HG1 VAL 8 1HG1 VAL 8 8.381 -3.053 8.263 50 2HG1 VAL 8 2HG1 VAL 8 6.767 -2.615 7.653 51 3HG1 VAL 8 3HG1 VAL 8 7.013 -4.169 8.486 52 1HG2 VAL 8 1HG2 VAL 8 9.636 -4.795 7.347 53 2HG2 VAL 8 2HG2 VAL 8 8.450 -6.081 7.020 54 3HG2 VAL 8 3HG2 VAL 8 9.357 -5.345 5.677 55 H ALA 9 H ALA 9 6.284 -3.075 3.857 56 HA ALA 9 HA ALA 9 4.432 -1.307 5.033 57 1HB ALA 9 1HB ALA 9 5.370 -1.798 2.183 58 2HB ALA 9 2HB ALA 9 4.266 -0.477 2.635 59 3HB ALA 9 3HB ALA 9 5.913 -0.531 3.309 60 H ARG 10 H ARG 10 4.172 -4.337 3.206 61 HA ARG 10 HA ARG 10 1.485 -3.939 2.489 62 1HB ARG 10 1HB ARG 10 3.223 -6.447 2.679 63 2HB ARG 10 2HB ARG 10 1.584 -6.476 2.061 64 1HG ARG 10 1HG ARG 10 2.225 -4.788 0.315 65 2HG ARG 10 2HG ARG 10 3.869 -4.796 0.923 66 1HD ARG 10 1HD ARG 10 3.890 -7.340 0.490 67 2HD ARG 10 2HD ARG 10 2.371 -7.127 -0.356 68 HE ARG 10 HE ARG 10 5.025 -6.271 -1.279 69 1HH1 ARG 10 2HH2 ARG 10 1.565 -5.721 -1.599 70 2HH1 ARG 10 1HH2 ARG 10 1.671 -5.189 -3.244 71 1HH2 ARG 10 2HH1 ARG 10 5.171 -5.539 -3.440 72 2HH2 ARG 10 1HH1 ARG 10 3.745 -5.014 -4.273 73 H SER 11 H SER 11 3.137 -4.829 5.419 74 HA SER 11 HA SER 11 1.044 -6.421 6.473 75 1HB SER 11 1HB SER 11 3.500 -6.546 7.134 76 2HB SER 11 2HB SER 11 3.300 -5.019 7.969 77 HG SER 11 HG SER 11 1.773 -5.983 9.385 78 H ASN 12 H ASN 12 1.822 -2.991 6.255 79 HA ASN 12 HA ASN 12 0.241 -2.222 8.464 80 1HB ASN 12 1HB ASN 12 1.346 -0.681 6.061 81 2HB ASN 12 2HB ASN 12 0.479 0.098 7.370 82 1HD2 ASN 12 2HD2 ASN 12 1.295 -0.191 9.561 83 2HD2 ASN 12 1HD2 ASN 12 3.001 -0.309 9.837 84 H PHE 13 H PHE 13 -0.361 -3.298 5.233 85 HA PHE 13 HA PHE 13 -2.616 -1.700 4.634 86 1HB PHE 13 1HB PHE 13 -1.008 -3.205 3.162 87 2HB PHE 13 2HB PHE 13 -1.985 -4.555 3.706 88 HD1 PHE 13 1HD PHE 13 -2.533 -1.148 2.261 89 HD2 PHE 13 2HD PHE 13 -3.652 -5.241 2.282 90 HE1 PHE 13 1HE PHE 13 -4.170 -0.710 0.409 91 HE2 PHE 13 2HE PHE 13 -5.289 -4.804 0.431 92 HZ PHE 13 HZ PHE 13 -5.529 -2.543 -0.484 93 H ASN 14 H ASN 14 -2.094 -4.213 6.915 94 HA ASN 14 HA ASN 14 -4.537 -5.536 6.694 95 1HB ASN 14 1HB ASN 14 -2.524 -5.172 8.959 96 2HB ASN 14 2HB ASN 14 -3.995 -6.093 9.207 97 1HD2 ASN 14 2HD2 ASN 14 -0.850 -6.383 8.560 98 2HD2 ASN 14 1HD2 ASN 14 -0.821 -7.903 7.731 99 H VAL 15 H VAL 15 -3.580 -2.391 7.850 100 HA VAL 15 HA VAL 15 -5.629 -2.091 9.815 101 HB VAL 15 HB VAL 15 -3.858 -0.099 8.385 102 1HG1 VAL 15 1HG1 VAL 15 -5.699 1.140 9.217 103 2HG1 VAL 15 2HG1 VAL 15 -5.748 0.205 10.731 104 3HG1 VAL 15 3HG1 VAL 15 -4.406 1.334 10.424 105 1HG2 VAL 15 1HG2 VAL 15 -2.556 -1.704 9.660 106 2HG2 VAL 15 2HG2 VAL 15 -2.553 -0.133 10.497 107 3HG2 VAL 15 3HG2 VAL 15 -3.588 -1.455 11.089 108 H CYS 16 H CYS 16 -5.558 -2.198 6.390 109 HA CYS 16 HA CYS 16 -7.581 -0.250 5.941 110 1HB CYS 16 1HB CYS 16 -5.747 -1.373 4.347 111 2HB CYS 16 2HB CYS 16 -7.092 -2.436 3.981 112 H ARG 17 H ARG 17 -7.365 -3.651 6.875 113 HA ARG 17 HA ARG 17 -9.992 -4.288 6.061 114 1HB ARG 17 1HB ARG 17 -7.839 -5.629 7.715 115 2HB ARG 17 2HB ARG 17 -9.468 -6.269 7.797 116 1HG ARG 17 1HG ARG 17 -8.320 -7.473 6.038 117 2HG ARG 17 2HG ARG 17 -9.483 -6.415 5.263 118 1HD ARG 17 1HD ARG 17 -7.816 -4.915 4.496 119 2HD ARG 17 2HD ARG 17 -6.661 -5.409 5.717 120 HE ARG 17 HE ARG 17 -7.245 -6.810 3.178 121 1HH1 ARG 17 2HH2 ARG 17 -6.039 -7.389 6.411 122 2HH1 ARG 17 1HH2 ARG 17 -4.625 -8.241 5.887 123 1HH2 ARG 17 2HH1 ARG 17 -5.464 -8.095 2.465 124 2HH2 ARG 17 1HH1 ARG 17 -4.443 -8.852 3.643 125 H LEU 18 H LEU 18 -8.473 -2.779 8.852 126 HA LEU 18 HA LEU 18 -10.387 -3.420 10.795 127 1HB LEU 18 1HB LEU 18 -8.107 -1.620 10.474 128 2HB LEU 18 2HB LEU 18 -9.371 -0.944 11.481 129 HG LEU 18 HG LEU 18 -9.302 -3.041 12.868 130 1HD1 LEU 18 1HD1 LEU 18 -8.340 -4.566 11.242 131 2HD1 LEU 18 2HD1 LEU 18 -6.832 -3.621 11.210 132 3HD1 LEU 18 3HD1 LEU 18 -7.312 -4.481 12.693 133 1HD2 LEU 18 1HD2 LEU 18 -8.213 -0.997 13.608 134 2HD2 LEU 18 2HD2 LEU 18 -7.249 -2.420 14.070 135 3HD2 LEU 18 3HD2 LEU 18 -6.749 -1.417 12.687 136 HA PRO 19 HA PRO 19 -13.650 -0.730 9.925 137 1HB PRO 19 1HB PRO 19 -14.427 0.253 12.354 138 2HB PRO 19 2HB PRO 19 -14.840 -1.355 11.794 139 1HG PRO 19 1HG PRO 19 -12.829 -0.553 13.807 140 2HG PRO 19 2HG PRO 19 -13.550 -2.129 13.543 141 1HD PRO 19 1HD PRO 19 -10.920 -1.292 12.761 142 2HD PRO 19 2HD PRO 19 -11.684 -2.826 12.396 143 H GLY 20 H GLY 20 -10.843 0.585 11.242 144 1HA GLY 20 1HA GLY 20 -11.713 3.333 11.060 145 2HA GLY 20 2HA GLY 20 -10.107 2.735 11.426 146 H THR 21 H THR 21 -10.075 0.899 9.019 147 HA THR 21 HA THR 21 -9.216 0.995 6.965 148 HB THR 21 HB THR 21 -11.251 3.232 6.513 149 HG1 THR 21 1HG THR 21 -12.205 1.458 7.715 150 1HG2 THR 21 1HG2 THR 21 -10.357 0.839 4.818 151 2HG2 THR 21 2HG2 THR 21 -11.578 2.047 4.352 152 3HG2 THR 21 3HG2 THR 21 -9.873 2.527 4.527 153 H SER 22 H SER 22 -7.723 2.419 8.899 154 HA SER 22 HA SER 22 -6.233 3.996 9.144 155 1HB SER 22 1HB SER 22 -4.576 4.036 7.481 156 2HB SER 22 2HB SER 22 -5.419 2.540 7.131 157 HG SER 22 HG SER 22 -6.761 3.922 5.595 158 H GLU 23 H GLU 23 -5.474 5.862 6.725 159 HA GLU 23 HA GLU 23 -7.423 7.855 7.446 160 1HB GLU 23 1HB GLU 23 -4.854 8.059 5.812 161 2HB GLU 23 2HB GLU 23 -5.852 9.421 6.278 162 1HG GLU 23 1HG GLU 23 -4.454 7.500 8.199 163 2HG GLU 23 2HG GLU 23 -3.943 9.138 7.840 164 HE2 GLU 23 HE GLU 23 -6.694 8.577 10.584 165 H ALA 24 H ALA 24 -8.655 5.880 5.957 166 HA ALA 24 HA ALA 24 -10.074 5.734 4.251 167 1HB ALA 24 1HB ALA 24 -9.959 8.357 4.462 168 2HB ALA 24 2HB ALA 24 -9.013 8.244 2.959 169 3HB ALA 24 3HB ALA 24 -10.678 7.616 3.012 170 H ILE 25 H ILE 25 -7.143 7.358 2.830 171 HA ILE 25 HA ILE 25 -7.031 5.225 0.864 172 HB ILE 25 HB ILE 25 -5.276 7.665 1.069 173 1HG1 ILE 25 1HG1 ILE 25 -7.535 8.491 1.105 174 2HG1 ILE 25 2HG1 ILE 25 -6.854 8.767 -0.486 175 1HG2 ILE 25 1HG2 ILE 25 -4.402 6.030 -0.438 176 2HG2 ILE 25 2HG2 ILE 25 -5.997 5.779 -1.186 177 3HG2 ILE 25 3HG2 ILE 25 -5.143 7.325 -1.409 178 1HD1 ILE 25 1HD1 ILE 25 -8.756 6.517 0.308 179 2HD1 ILE 25 2HD1 ILE 25 -9.116 7.899 -0.754 180 3HD1 ILE 25 3HD1 ILE 25 -7.973 6.642 -1.285 181 H CYS 26 H CYS 26 -6.479 3.518 2.409 182 HA CYS 26 HA CYS 26 -4.209 3.692 4.024 183 1HB CYS 26 1HB CYS 26 -4.406 1.290 4.264 184 2HB CYS 26 2HB CYS 26 -5.967 2.072 4.420 185 H ALA 27 H ALA 27 -4.821 2.538 0.658 186 HA ALA 27 HA ALA 27 -2.501 1.312 0.040 187 1HB ALA 27 1HB ALA 27 -4.389 1.568 -1.496 188 2HB ALA 27 2HB ALA 27 -4.075 3.315 -1.628 189 3HB ALA 27 3HB ALA 27 -2.896 2.147 -2.272 190 H THR 28 H THR 28 -3.048 4.787 0.627 191 HA THR 28 HA THR 28 -0.328 5.407 -0.212 192 HB THR 28 HB THR 28 -2.660 7.113 0.811 193 HG1 THR 28 1HG THR 28 -1.388 6.602 -1.787 194 1HG2 THR 28 1HG2 THR 28 0.010 7.852 -0.499 195 2HG2 THR 28 2HG2 THR 28 -1.353 8.977 -0.287 196 3HG2 THR 28 3HG2 THR 28 -0.518 8.312 1.138 197 H TYR 29 H TYR 29 -2.362 5.334 2.762 198 HA TYR 29 HA TYR 29 -0.031 6.032 4.344 199 1HB TYR 29 1HB TYR 29 -3.029 5.531 4.700 200 2HB TYR 29 2HB TYR 29 -2.005 5.563 6.122 201 HD1 TYR 29 1HD TYR 29 -1.267 7.622 7.066 202 HD2 TYR 29 2HD TYR 29 -3.166 7.595 3.232 203 HE1 TYR 29 1HE TYR 29 -1.445 10.157 7.128 204 HE2 TYR 29 2HE TYR 29 -3.337 10.131 3.308 205 HH TYR 29 HH TYR 29 -2.957 11.925 4.438 206 H THR 30 H THR 30 0.466 3.652 2.985 207 HA THR 30 HA THR 30 0.499 1.783 5.231 208 HB THR 30 HB THR 30 -1.500 1.302 3.702 209 HG1 THR 30 1HG THR 30 0.817 -0.501 3.784 210 1HG2 THR 30 1HG2 THR 30 -0.041 1.865 1.559 211 2HG2 THR 30 2HG2 THR 30 0.585 0.213 1.778 212 3HG2 THR 30 3HG2 THR 30 -1.153 0.476 1.502 213 H GLY 31 H GLY 31 2.286 3.698 3.441 214 1HA GLY 31 1HA GLY 31 4.562 3.615 3.205 215 2HA GLY 31 2HA GLY 31 4.551 1.887 3.500 216 H CYS 32 H CYS 32 2.225 1.644 1.438 217 HA CYS 32 HA CYS 32 4.008 1.375 -0.821 218 1HB CYS 32 1HB CYS 32 1.111 0.545 -0.594 219 2HB CYS 32 2HB CYS 32 2.255 0.067 -1.833 220 H ILE 33 H ILE 33 2.490 1.815 -3.033 221 HA ILE 33 HA ILE 33 1.278 4.456 -2.681 222 HB ILE 33 HB ILE 33 2.439 5.232 -4.708 223 1HG1 ILE 33 1HG1 ILE 33 4.087 2.701 -4.424 224 2HG1 ILE 33 2HG1 ILE 33 2.922 3.019 -5.694 225 1HG2 ILE 33 1HG2 ILE 33 4.412 4.393 -2.575 226 2HG2 ILE 33 2HG2 ILE 33 4.472 5.826 -3.629 227 3HG2 ILE 33 3HG2 ILE 33 3.226 5.703 -2.363 228 1HD1 ILE 33 1HD1 ILE 33 4.268 5.130 -6.258 229 2HD1 ILE 33 2HD1 ILE 33 5.516 4.520 -5.145 230 3HD1 ILE 33 3HD1 ILE 33 5.082 3.584 -6.596 231 H ILE 34 H ILE 34 0.220 5.071 -4.969 232 HA ILE 34 HA ILE 34 -1.347 2.704 -5.672 233 HB ILE 34 HB ILE 34 -1.892 5.662 -5.900 234 1HG1 ILE 34 1HG1 ILE 34 -3.497 3.629 -4.360 235 2HG1 ILE 34 2HG1 ILE 34 -2.061 4.350 -3.659 236 1HG2 ILE 34 1HG2 ILE 34 -4.145 4.982 -6.717 237 2HG2 ILE 34 2HG2 ILE 34 -2.826 4.641 -7.862 238 3HG2 ILE 34 3HG2 ILE 34 -3.532 3.321 -6.900 239 1HD1 ILE 34 1HD1 ILE 34 -4.024 5.668 -3.016 240 2HD1 ILE 34 2HD1 ILE 34 -3.013 6.635 -4.117 241 3HD1 ILE 34 3HD1 ILE 34 -4.495 5.856 -4.722 242 H ILE 35 H ILE 35 -1.537 1.979 -7.800 243 HA ILE 35 HA ILE 35 -0.027 3.469 -9.807 244 HB ILE 35 HB ILE 35 1.437 1.841 -10.291 245 1HG1 ILE 35 1HG1 ILE 35 -0.380 0.239 -10.912 246 2HG1 ILE 35 2HG1 ILE 35 1.062 -0.511 -10.258 247 1HG2 ILE 35 1HG2 ILE 35 1.912 2.382 -7.987 248 2HG2 ILE 35 2HG2 ILE 35 0.753 1.156 -7.420 249 3HG2 ILE 35 3HG2 ILE 35 2.235 0.655 -8.269 250 1HD1 ILE 35 1HD1 ILE 35 -1.433 0.129 -8.618 251 2HD1 ILE 35 2HD1 ILE 35 -1.049 -1.469 -9.301 252 3HD1 ILE 35 3HD1 ILE 35 0.003 -0.759 -8.053 253 HA PRO 36 HA PRO 36 -3.309 2.326 -12.366 254 1HB PRO 36 1HB PRO 36 -2.168 1.976 -14.824 255 2HB PRO 36 2HB PRO 36 -2.510 3.553 -14.143 256 1HG PRO 36 1HG PRO 36 0.092 2.177 -14.413 257 2HG PRO 36 2HG PRO 36 -0.227 3.878 -14.140 258 1HD PRO 36 1HD PRO 36 0.647 1.962 -12.193 259 2HD PRO 36 2HD PRO 36 0.217 3.635 -11.897 260 H GLY 37 H GLY 37 -0.649 0.199 -13.332 261 1HA GLY 37 1HA GLY 37 -2.375 -2.085 -12.716 262 2HA GLY 37 2HA GLY 37 -1.806 -1.911 -14.364 263 H ALA 38 H ALA 38 0.133 -2.838 -14.883 264 HA ALA 38 HA ALA 38 1.799 -3.708 -12.644 265 1HB ALA 38 1HB ALA 38 1.748 -4.539 -15.574 266 2HB ALA 38 2HB ALA 38 2.753 -5.269 -14.299 267 3HB ALA 38 3HB ALA 38 0.981 -5.418 -14.230 268 H THR 39 H THR 39 1.486 -0.982 -14.395 269 HA THR 39 HA THR 39 4.344 -0.713 -15.000 270 HB THR 39 HB THR 39 1.941 1.038 -15.740 271 HG1 THR 39 1HG THR 39 1.928 -1.140 -16.670 272 1HG2 THR 39 1HG2 THR 39 4.777 0.849 -16.886 273 2HG2 THR 39 2HG2 THR 39 3.469 1.884 -17.509 274 3HG2 THR 39 3HG2 THR 39 4.167 2.202 -15.903 275 H CYS 40 H CYS 40 4.761 -0.766 -12.613 276 HA CYS 40 HA CYS 40 3.806 1.418 -11.080 277 1HB CYS 40 1HB CYS 40 6.023 -0.582 -10.610 278 2HB CYS 40 2HB CYS 40 5.568 0.651 -9.451 279 HA PRO 41 HA PRO 41 6.839 4.321 -12.243 280 1HB PRO 41 1HB PRO 41 6.936 5.944 -10.047 281 2HB PRO 41 2HB PRO 41 5.679 6.052 -11.263 282 1HG PRO 41 1HG PRO 41 5.529 4.912 -8.540 283 2HG PRO 41 2HG PRO 41 4.222 5.412 -9.594 284 1HD PRO 41 1HD PRO 41 5.064 2.723 -9.063 285 2HD PRO 41 2HD PRO 41 3.835 3.230 -10.204 286 H GLY 42 H GLY 42 8.883 5.614 -11.313 287 1HA GLY 42 1HA GLY 42 10.726 3.480 -10.711 288 2HA GLY 42 2HA GLY 42 11.092 5.170 -10.995 289 H ASP 43 H ASP 43 8.959 3.477 -8.581 290 HA ASP 43 HA ASP 43 10.366 5.011 -6.547 291 1HB ASP 43 1HB ASP 43 7.574 3.806 -6.679 292 2HB ASP 43 2HB ASP 43 8.270 4.312 -5.153 293 HD2 ASP 43 HD ASP 43 7.565 7.274 -7.775 294 H TYR 44 H TYR 44 8.676 1.837 -7.165 295 HA TYR 44 HA TYR 44 10.679 0.561 -5.428 296 1HB TYR 44 1HB TYR 44 7.707 -0.099 -5.912 297 2HB TYR 44 2HB TYR 44 8.754 -0.963 -4.804 298 HD1 TYR 44 1HD TYR 44 6.044 0.769 -4.490 299 HD2 TYR 44 2HD TYR 44 10.165 1.357 -3.504 300 HE1 TYR 44 1HE TYR 44 5.377 2.354 -2.617 301 HE2 TYR 44 2HE TYR 44 9.485 2.940 -1.635 302 HH TYR 44 HH TYR 44 6.189 3.246 -0.643 303 H ALA 45 H ALA 45 8.223 0.013 -8.050 304 HA ALA 45 HA ALA 45 8.202 -1.385 -9.768 305 1HB ALA 45 1HB ALA 45 11.221 -0.996 -9.655 306 2HB ALA 45 2HB ALA 45 10.286 -1.554 -11.063 307 3HB ALA 45 3HB ALA 45 10.066 0.102 -10.448 308 H ASN 46 H ASN 46 7.372 -3.149 -8.476 309 HA ASN 46 HA ASN 46 9.394 -5.021 -7.589 310 1HB ASN 46 1HB ASN 46 6.354 -5.086 -7.206 311 2HB ASN 46 2HB ASN 46 7.502 -6.153 -6.422 312 1HD2 ASN 46 2HD2 ASN 46 9.307 -5.017 -5.225 313 2HD2 ASN 46 1HD2 ASN 46 8.852 -3.697 -4.200 Start of MODEL 10 1 H THR 1 H THR 1 -8.582 -3.916 -0.619 2 HA THR 1 HA THR 1 -6.363 -5.189 0.348 3 HB THR 1 HB THR 1 -6.660 -6.765 -1.590 4 HG1 THR 1 1HG THR 1 -4.415 -6.503 -2.127 5 1HG2 THR 1 1HG2 THR 1 -7.597 -5.042 -3.223 6 2HG2 THR 1 2HG2 THR 1 -5.978 -4.303 -3.279 7 3HG2 THR 1 3HG2 THR 1 -6.218 -5.966 -3.868 8 H THR 2 H THR 2 -4.265 -4.098 -1.099 9 HA THR 2 HA THR 2 -5.005 -1.252 -1.242 10 HB THR 2 HB THR 2 -2.625 -2.568 0.169 11 HG1 THR 2 1HG THR 2 -3.797 -1.714 1.987 12 1HG2 THR 2 1HG2 THR 2 -2.044 -0.341 -0.921 13 2HG2 THR 2 2HG2 THR 2 -3.397 0.389 -0.023 14 3HG2 THR 2 3HG2 THR 2 -2.008 -0.290 0.858 15 H CYS 3 H CYS 3 -4.573 -0.365 -3.154 16 HA CYS 3 HA CYS 3 -2.699 -1.803 -4.860 17 1HB CYS 3 1HB CYS 3 -4.663 0.370 -5.611 18 2HB CYS 3 2HB CYS 3 -3.698 -0.596 -6.709 19 H CYS 4 H CYS 4 -0.991 -0.589 -5.968 20 HA CYS 4 HA CYS 4 -0.529 2.087 -4.922 21 1HB CYS 4 1HB CYS 4 0.755 0.007 -3.761 22 2HB CYS 4 2HB CYS 4 1.868 0.354 -5.070 23 HA PRO 5 HA PRO 5 0.488 2.562 -9.141 24 1HB PRO 5 1HB PRO 5 1.565 5.073 -9.083 25 2HB PRO 5 2HB PRO 5 -0.161 4.771 -9.121 26 1HG PRO 5 1HG PRO 5 1.518 5.637 -6.848 27 2HG PRO 5 2HG PRO 5 -0.222 5.738 -7.029 28 1HD PRO 5 1HD PRO 5 1.231 3.836 -5.448 29 2HD PRO 5 2HD PRO 5 -0.499 3.867 -5.722 30 H SER 6 H SER 6 2.878 2.839 -6.679 31 HA SER 6 HA SER 6 4.754 1.776 -8.609 32 1HB SER 6 1HB SER 6 6.550 3.296 -7.590 33 2HB SER 6 2HB SER 6 5.396 4.072 -8.657 34 HG SER 6 HG SER 6 5.041 3.991 -5.789 35 H ILE 7 H ILE 7 6.159 0.222 -7.705 36 HA ILE 7 HA ILE 7 5.394 -0.789 -5.165 37 HB ILE 7 HB ILE 7 6.147 -2.071 -7.220 38 1HG1 ILE 7 1HG1 ILE 7 7.496 -2.764 -4.595 39 2HG1 ILE 7 2HG1 ILE 7 5.796 -3.022 -4.933 40 1HG2 ILE 7 1HG2 ILE 7 8.448 -2.398 -7.650 41 2HG2 ILE 7 2HG2 ILE 7 8.214 -0.637 -7.538 42 3HG2 ILE 7 3HG2 ILE 7 8.930 -1.528 -6.174 43 1HD1 ILE 7 1HD1 ILE 7 8.170 -4.282 -6.369 44 2HD1 ILE 7 2HD1 ILE 7 6.927 -5.105 -5.397 45 3HD1 ILE 7 3HD1 ILE 7 6.499 -4.395 -6.972 46 H VAL 8 H VAL 8 7.633 1.626 -6.274 47 HA VAL 8 HA VAL 8 9.629 1.371 -4.349 48 HB VAL 8 HB VAL 8 8.531 3.718 -5.896 49 1HG1 VAL 8 1HG1 VAL 8 9.538 4.689 -3.956 50 2HG1 VAL 8 2HG1 VAL 8 10.938 3.593 -4.056 51 3HG1 VAL 8 3HG1 VAL 8 10.703 4.853 -5.292 52 1HG2 VAL 8 1HG2 VAL 8 9.566 1.975 -7.255 53 2HG2 VAL 8 2HG2 VAL 8 10.590 3.431 -7.230 54 3HG2 VAL 8 3HG2 VAL 8 11.025 2.019 -6.237 55 H ALA 9 H ALA 9 6.370 2.854 -4.277 56 HA ALA 9 HA ALA 9 6.815 4.055 -1.713 57 1HB ALA 9 1HB ALA 9 5.298 5.038 -3.390 58 2HB ALA 9 2HB ALA 9 4.283 3.577 -3.338 59 3HB ALA 9 3HB ALA 9 4.415 4.620 -1.902 60 H ARG 10 H ARG 10 5.555 0.995 -3.034 61 HA ARG 10 HA ARG 10 4.160 0.173 -0.818 62 1HB ARG 10 1HB ARG 10 4.180 -0.926 -3.105 63 2HB ARG 10 2HB ARG 10 5.769 -1.573 -2.749 64 1HG ARG 10 1HG ARG 10 4.318 -3.352 -2.166 65 2HG ARG 10 2HG ARG 10 4.684 -2.611 -0.620 66 1HD ARG 10 1HD ARG 10 2.336 -2.827 -0.523 67 2HD ARG 10 2HD ARG 10 2.528 -1.165 -1.043 68 HE ARG 10 HE ARG 10 2.440 -2.593 -3.428 69 1HH1 ARG 10 2HH2 ARG 10 0.303 -2.128 -0.673 70 2HH1 ARG 10 1HH2 ARG 10 -1.112 -2.659 -1.519 71 1HH2 ARG 10 2HH1 ARG 10 0.544 -3.110 -4.596 72 2HH2 ARG 10 1HH1 ARG 10 -0.993 -3.102 -3.798 73 H SER 11 H SER 11 7.623 0.391 -1.461 74 HA SER 11 HA SER 11 8.590 -1.536 0.212 75 1HB SER 11 1HB SER 11 9.896 1.191 -0.003 76 2HB SER 11 2HB SER 11 10.668 -0.378 0.103 77 HG SER 11 HG SER 11 9.902 1.011 -2.128 78 H ASN 12 H ASN 12 7.105 1.608 0.922 79 HA ASN 12 HA ASN 12 8.074 1.684 3.586 80 1HB ASN 12 1HB ASN 12 5.767 3.206 2.261 81 2HB ASN 12 2HB ASN 12 6.474 3.609 3.813 82 1HD2 ASN 12 2HD2 ASN 12 8.651 4.308 3.926 83 2HD2 ASN 12 1HD2 ASN 12 9.421 5.086 2.584 84 H PHE 13 H PHE 13 5.106 0.685 1.810 85 HA PHE 13 HA PHE 13 3.448 0.344 4.032 86 1HB PHE 13 1HB PHE 13 2.844 0.430 1.547 87 2HB PHE 13 2HB PHE 13 3.604 -1.135 1.336 88 HD1 PHE 13 1HD PHE 13 0.735 0.621 2.822 89 HD2 PHE 13 2HD PHE 13 2.490 -3.154 1.997 90 HE1 PHE 13 1HE PHE 13 -1.438 -0.510 3.371 91 HE2 PHE 13 2HE PHE 13 0.317 -4.284 2.546 92 HZ PHE 13 HZ PHE 13 -1.620 -2.949 3.226 93 H ASN 14 H ASN 14 6.159 -1.516 2.821 94 HA ASN 14 HA ASN 14 5.404 -4.029 3.645 95 1HB ASN 14 1HB ASN 14 8.146 -2.682 3.490 96 2HB ASN 14 2HB ASN 14 7.961 -4.388 3.843 97 1HD2 ASN 14 2HD2 ASN 14 9.401 -3.836 1.729 98 2HD2 ASN 14 1HD2 ASN 14 8.578 -4.151 0.238 99 H VAL 15 H VAL 15 6.544 -1.151 5.383 100 HA VAL 15 HA VAL 15 7.444 -2.438 7.720 101 HB VAL 15 HB VAL 15 6.424 0.359 7.193 102 1HG1 VAL 15 1HG1 VAL 15 6.246 -0.057 9.559 103 2HG1 VAL 15 2HG1 VAL 15 7.870 -0.783 9.605 104 3HG1 VAL 15 3HG1 VAL 15 7.682 0.956 9.276 105 1HG2 VAL 15 1HG2 VAL 15 9.223 -0.816 7.269 106 2HG2 VAL 15 2HG2 VAL 15 8.372 -0.145 5.856 107 3HG2 VAL 15 3HG2 VAL 15 8.857 0.925 7.193 108 H CYS 16 H CYS 16 4.257 -1.255 6.572 109 HA CYS 16 HA CYS 16 3.019 -1.711 9.094 110 1HB CYS 16 1HB CYS 16 2.140 -0.858 6.380 111 2HB CYS 16 2HB CYS 16 0.929 -1.561 7.433 112 H ARG 17 H ARG 17 3.528 -3.450 5.999 113 HA ARG 17 HA ARG 17 1.689 -5.456 6.415 114 1HB ARG 17 1HB ARG 17 2.757 -5.117 4.235 115 2HB ARG 17 2HB ARG 17 4.345 -5.433 4.904 116 1HG ARG 17 1HG ARG 17 3.575 -7.435 3.729 117 2HG ARG 17 2HG ARG 17 3.639 -7.780 5.446 118 1HD ARG 17 1HD ARG 17 1.171 -7.316 5.615 119 2HD ARG 17 2HD ARG 17 1.119 -7.019 3.889 120 HE ARG 17 HE ARG 17 1.364 -9.338 3.478 121 1HH1 ARG 17 2HH2 ARG 17 2.131 -8.680 6.843 122 2HH1 ARG 17 1HH2 ARG 17 1.828 -10.303 7.367 123 1HH2 ARG 17 2HH1 ARG 17 1.006 -11.498 4.156 124 2HH2 ARG 17 1HH1 ARG 17 1.289 -11.938 5.807 125 H LEU 18 H LEU 18 5.107 -5.049 7.464 126 HA LEU 18 HA LEU 18 5.361 -7.688 8.470 127 1HB LEU 18 1HB LEU 18 6.954 -5.241 8.298 128 2HB LEU 18 2HB LEU 18 7.225 -6.134 9.781 129 HG LEU 18 HG LEU 18 7.643 -8.188 8.357 130 1HD1 LEU 18 1HD1 LEU 18 8.183 -7.897 6.012 131 2HD1 LEU 18 2HD1 LEU 18 6.509 -7.378 6.321 132 3HD1 LEU 18 3HD1 LEU 18 7.791 -6.163 6.107 133 1HD2 LEU 18 1HD2 LEU 18 9.944 -7.518 7.778 134 2HD2 LEU 18 2HD2 LEU 18 9.503 -5.815 8.052 135 3HD2 LEU 18 3HD2 LEU 18 9.462 -6.974 9.403 136 HA PRO 19 HA PRO 19 3.649 -7.242 12.408 137 1HB PRO 19 1HB PRO 19 5.323 -8.647 14.049 138 2HB PRO 19 2HB PRO 19 4.143 -9.411 13.003 139 1HG PRO 19 1HG PRO 19 7.075 -9.235 12.671 140 2HG PRO 19 2HG PRO 19 5.946 -10.327 11.894 141 1HD PRO 19 1HD PRO 19 7.170 -8.010 10.728 142 2HD PRO 19 2HD PRO 19 5.955 -9.036 9.992 143 H GLY 20 H GLY 20 4.098 -4.864 12.151 144 1HA GLY 20 1HA GLY 20 5.575 -4.075 14.561 145 2HA GLY 20 2HA GLY 20 6.059 -3.388 13.023 146 H THR 21 H THR 21 3.765 -2.867 11.639 147 HA THR 21 HA THR 21 2.154 -1.348 11.428 148 HB THR 21 HB THR 21 1.408 -2.105 14.298 149 HG1 THR 21 1HG THR 21 0.514 -3.970 13.259 150 1HG2 THR 21 1HG2 THR 21 0.025 -0.320 13.077 151 2HG2 THR 21 2HG2 THR 21 -0.328 -1.550 11.839 152 3HG2 THR 21 3HG2 THR 21 -0.883 -1.788 13.513 153 H SER 22 H SER 22 3.986 0.216 11.333 154 HA SER 22 HA SER 22 4.560 1.694 13.655 155 1HB SER 22 1HB SER 22 6.249 1.665 11.983 156 2HB SER 22 2HB SER 22 5.121 2.050 10.699 157 HG SER 22 HG SER 22 6.029 3.817 12.805 158 H GLU 23 H GLU 23 3.238 3.010 10.540 159 HA GLU 23 HA GLU 23 1.720 4.891 12.104 160 1HB GLU 23 1HB GLU 23 2.173 4.653 9.097 161 2HB GLU 23 2HB GLU 23 1.265 5.944 9.858 162 1HG GLU 23 1HG GLU 23 4.178 5.293 10.508 163 2HG GLU 23 2HG GLU 23 3.681 6.533 9.374 164 HE2 GLU 23 HE GLU 23 3.655 7.353 13.223 165 H ALA 24 H ALA 24 1.289 1.776 10.881 166 HA ALA 24 HA ALA 24 -0.512 0.478 10.787 167 1HB ALA 24 1HB ALA 24 -1.331 2.211 12.596 168 2HB ALA 24 2HB ALA 24 -2.387 2.787 11.283 169 3HB ALA 24 3HB ALA 24 -2.497 1.099 11.839 170 H ILE 25 H ILE 25 -1.686 3.697 9.556 171 HA ILE 25 HA ILE 25 -2.555 2.348 7.137 172 HB ILE 25 HB ILE 25 -2.923 5.212 8.021 173 1HG1 ILE 25 1HG1 ILE 25 -5.335 3.696 8.161 174 2HG1 ILE 25 2HG1 ILE 25 -4.106 2.810 9.041 175 1HG2 ILE 25 1HG2 ILE 25 -4.768 5.197 6.369 176 2HG2 ILE 25 2HG2 ILE 25 -3.163 4.979 5.631 177 3HG2 ILE 25 3HG2 ILE 25 -4.245 3.581 5.837 178 1HD1 ILE 25 1HD1 ILE 25 -4.802 5.756 9.446 179 2HD1 ILE 25 2HD1 ILE 25 -5.239 4.416 10.533 180 3HD1 ILE 25 3HD1 ILE 25 -3.531 4.873 10.327 181 H CYS 26 H CYS 26 -0.328 1.817 6.449 182 HA CYS 26 HA CYS 26 1.287 4.098 5.714 183 1HB CYS 26 1HB CYS 26 1.825 1.146 5.336 184 2HB CYS 26 2HB CYS 26 2.965 2.451 5.074 185 H ALA 27 H ALA 27 -1.455 3.390 4.509 186 HA ALA 27 HA ALA 27 -0.726 2.637 1.802 187 1HB ALA 27 1HB ALA 27 -3.326 3.089 3.297 188 2HB ALA 27 2HB ALA 27 -3.277 2.867 1.532 189 3HB ALA 27 3HB ALA 27 -2.692 1.576 2.608 190 H THR 28 H THR 28 -3.040 5.158 2.974 191 HA THR 28 HA THR 28 -2.410 6.866 0.807 192 HB THR 28 HB THR 28 -3.842 8.457 2.339 193 HG1 THR 28 1HG THR 28 -4.696 7.301 4.156 194 1HG2 THR 28 1HG2 THR 28 -4.855 7.036 0.501 195 2HG2 THR 28 2HG2 THR 28 -4.984 5.695 1.664 196 3HG2 THR 28 3HG2 THR 28 -5.919 7.188 1.920 197 H TYR 29 H TYR 29 -0.884 6.273 3.875 198 HA TYR 29 HA TYR 29 0.237 8.866 4.185 199 1HB TYR 29 1HB TYR 29 -0.063 7.170 6.011 200 2HB TYR 29 2HB TYR 29 0.918 6.014 5.131 201 HD1 TYR 29 1HD TYR 29 1.019 9.215 7.009 202 HD2 TYR 29 2HD TYR 29 3.305 6.032 5.293 203 HE1 TYR 29 1HE TYR 29 3.094 10.041 8.223 204 HE2 TYR 29 2HE TYR 29 5.373 6.869 6.513 205 HH TYR 29 HH TYR 29 6.207 8.373 7.812 206 H THR 30 H THR 30 1.094 5.929 2.372 207 HA THR 30 HA THR 30 3.712 7.096 1.748 208 HB THR 30 HB THR 30 3.229 4.629 2.616 209 HG1 THR 30 1HG THR 30 4.744 5.441 0.238 210 1HG2 THR 30 1HG2 THR 30 2.768 4.409 -0.406 211 2HG2 THR 30 2HG2 THR 30 3.017 3.042 0.706 212 3HG2 THR 30 3HG2 THR 30 1.552 4.044 0.842 213 H GLY 31 H GLY 31 0.514 6.425 0.436 214 1HA GLY 31 1HA GLY 31 0.186 8.031 -1.507 215 2HA GLY 31 2HA GLY 31 1.493 7.136 -2.256 216 H CYS 32 H CYS 32 0.687 4.522 -1.002 217 HA CYS 32 HA CYS 32 -0.874 3.560 -3.048 218 1HB CYS 32 1HB CYS 32 -0.673 2.369 -0.277 219 2HB CYS 32 2HB CYS 32 -1.075 1.532 -1.763 220 H ILE 33 H ILE 33 -3.140 2.555 -2.790 221 HA ILE 33 HA ILE 33 -4.775 4.175 -0.970 222 HB ILE 33 HB ILE 33 -6.483 4.288 -2.759 223 1HG1 ILE 33 1HG1 ILE 33 -5.210 2.320 -4.025 224 2HG1 ILE 33 2HG1 ILE 33 -6.220 3.481 -4.864 225 1HG2 ILE 33 1HG2 ILE 33 -5.328 6.067 -4.071 226 2HG2 ILE 33 2HG2 ILE 33 -5.144 6.226 -2.308 227 3HG2 ILE 33 3HG2 ILE 33 -3.801 5.592 -3.289 228 1HD1 ILE 33 1HD1 ILE 33 -4.310 4.795 -5.555 229 2HD1 ILE 33 2HD1 ILE 33 -3.225 3.893 -4.470 230 3HD1 ILE 33 3HD1 ILE 33 -3.920 3.092 -5.900 231 H ILE 34 H ILE 34 -6.748 3.139 -0.246 232 HA ILE 34 HA ILE 34 -6.472 0.230 -0.337 233 HB ILE 34 HB ILE 34 -8.042 1.969 1.567 234 1HG1 ILE 34 1HG1 ILE 34 -5.307 0.702 1.905 235 2HG1 ILE 34 2HG1 ILE 34 -5.633 2.416 1.732 236 1HG2 ILE 34 1HG2 ILE 34 -8.878 -0.355 1.280 237 2HG2 ILE 34 2HG2 ILE 34 -7.282 -0.954 1.791 238 3HG2 ILE 34 3HG2 ILE 34 -8.279 -0.005 2.919 239 1HD1 ILE 34 1HD1 ILE 34 -7.184 2.175 3.796 240 2HD1 ILE 34 2HD1 ILE 34 -6.417 0.586 4.031 241 3HD1 ILE 34 3HD1 ILE 34 -5.430 2.067 4.084 242 H ILE 35 H ILE 35 -8.081 -1.098 -1.141 243 HA ILE 35 HA ILE 35 -10.473 0.280 -2.135 244 HB ILE 35 HB ILE 35 -10.393 -1.081 -4.145 245 1HG1 ILE 35 1HG1 ILE 35 -7.599 -1.970 -3.460 246 2HG1 ILE 35 2HG1 ILE 35 -8.981 -2.910 -2.935 247 1HG2 ILE 35 1HG2 ILE 35 -8.653 0.108 -5.293 248 2HG2 ILE 35 2HG2 ILE 35 -9.358 1.184 -4.064 249 3HG2 ILE 35 3HG2 ILE 35 -7.783 0.409 -3.769 250 1HD1 ILE 35 1HD1 ILE 35 -8.101 -3.682 -5.141 251 2HD1 ILE 35 2HD1 ILE 35 -9.783 -3.113 -5.261 252 3HD1 ILE 35 3HD1 ILE 35 -8.451 -2.076 -5.825 253 HA PRO 36 HA PRO 36 -12.570 -2.929 -0.153 254 1HB PRO 36 1HB PRO 36 -14.946 -2.959 -1.503 255 2HB PRO 36 2HB PRO 36 -14.568 -1.789 -0.254 256 1HG PRO 36 1HG PRO 36 -14.640 -1.414 -3.185 257 2HG PRO 36 2HG PRO 36 -14.687 -0.200 -1.922 258 1HD PRO 36 1HD PRO 36 -12.435 -0.884 -3.561 259 2HD PRO 36 2HD PRO 36 -12.452 0.246 -2.221 260 H GLY 37 H GLY 37 -12.995 -3.196 -3.652 261 1HA GLY 37 1HA GLY 37 -13.056 -6.093 -3.417 262 2HA GLY 37 2HA GLY 37 -13.285 -5.128 -4.861 263 H ALA 38 H ALA 38 -11.791 -6.320 -6.143 264 HA ALA 38 HA ALA 38 -8.992 -5.959 -5.314 265 1HB ALA 38 1HB ALA 38 -8.516 -8.077 -6.491 266 2HB ALA 38 2HB ALA 38 -9.699 -8.321 -5.185 267 3HB ALA 38 3HB ALA 38 -10.244 -8.254 -6.878 268 H THR 39 H THR 39 -11.084 -4.362 -6.988 269 HA THR 39 HA THR 39 -9.676 -4.425 -9.561 270 HB THR 39 HB THR 39 -12.291 -3.056 -8.739 271 HG1 THR 39 1HG THR 39 -11.581 -5.585 -10.055 272 1HG2 THR 39 1HG2 THR 39 -11.111 -3.848 -11.455 273 2HG2 THR 39 2HG2 THR 39 -12.743 -3.185 -11.200 274 3HG2 THR 39 3HG2 THR 39 -11.312 -2.181 -10.864 275 H CYS 40 H CYS 40 -7.803 -3.292 -9.353 276 HA CYS 40 HA CYS 40 -7.676 -0.956 -7.764 277 1HB CYS 40 1HB CYS 40 -5.776 -2.026 -9.860 278 2HB CYS 40 2HB CYS 40 -5.434 -0.684 -8.787 279 HA PRO 41 HA PRO 41 -9.010 1.901 -10.771 280 1HB PRO 41 1HB PRO 41 -7.804 4.202 -9.922 281 2HB PRO 41 2HB PRO 41 -9.267 3.563 -9.198 282 1HG PRO 41 1HG PRO 41 -6.504 3.516 -8.146 283 2HG PRO 41 2HG PRO 41 -8.011 3.279 -7.284 284 1HD PRO 41 1HD PRO 41 -6.154 1.245 -8.083 285 2HD PRO 41 2HD PRO 41 -7.714 1.000 -7.324 286 H GLY 42 H GLY 42 -7.672 0.455 -12.273 287 1HA GLY 42 1HA GLY 42 -6.731 1.234 -14.387 288 2HA GLY 42 2HA GLY 42 -5.618 2.224 -13.464 289 H ASP 43 H ASP 43 -3.634 1.316 -13.992 290 HA ASP 43 HA ASP 43 -3.346 -1.487 -14.157 291 1HB ASP 43 1HB ASP 43 -1.440 0.879 -14.188 292 2HB ASP 43 2HB ASP 43 -0.814 -0.758 -14.158 293 HD2 ASP 43 HD ASP 43 0.005 0.330 -16.008 294 H TYR 44 H TYR 44 -1.491 0.937 -12.159 295 HA TYR 44 HA TYR 44 -0.423 0.642 -10.204 296 1HB TYR 44 1HB TYR 44 -3.349 -0.197 -9.756 297 2HB TYR 44 2HB TYR 44 -2.260 0.063 -8.407 298 HD1 TYR 44 1HD TYR 44 -2.086 2.191 -7.457 299 HD2 TYR 44 2HD TYR 44 -3.592 1.809 -11.444 300 HE1 TYR 44 1HE TYR 44 -2.645 4.671 -7.492 301 HE2 TYR 44 2HE TYR 44 -4.146 4.290 -11.465 302 HH TYR 44 HH TYR 44 -4.215 6.125 -10.328 303 H ALA 45 H ALA 45 0.190 -1.585 -11.760 304 HA ALA 45 HA ALA 45 -0.382 -3.937 -10.173 305 1HB ALA 45 1HB ALA 45 1.263 -3.503 -12.699 306 2HB ALA 45 2HB ALA 45 0.869 -5.083 -11.980 307 3HB ALA 45 3HB ALA 45 -0.429 -4.052 -12.629 308 H ASN 46 H ASN 46 0.656 -3.102 -8.181 309 HA ASN 46 HA ASN 46 3.501 -3.637 -8.329 310 1HB ASN 46 1HB ASN 46 2.193 -1.252 -6.921 311 2HB ASN 46 2HB ASN 46 3.852 -1.741 -6.638 312 1HD2 ASN 46 2HD2 ASN 46 1.579 -0.349 -8.862 313 2HD2 ASN 46 1HD2 ASN 46 2.701 0.258 -10.033
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