NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27520 | 2rng | 11022 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1HT ASN 1 11.440 8.039 -11.088 2 H2 ASN 1 2HT ASN 1 12.229 7.264 -9.800 3 H3 ASN 1 3HT ASN 1 13.099 7.706 -11.189 4 HA ASN 1 HA ASN 1 13.670 9.562 -10.102 5 HB2 ASN 1 2HB ASN 1 10.988 9.791 -11.228 6 HB3 ASN 1 1HB ASN 1 11.231 10.929 -9.905 7 HD21 ASN 1 1HD2 ASN 1 11.133 11.414 -12.912 8 HD22 ASN 1 2HD2 ASN 1 12.585 12.222 -13.262 9 HA PRO 2 HA PRO 2 11.004 9.800 -6.157 10 HB2 PRO 2 2HB PRO 2 8.758 8.248 -5.995 11 HB3 PRO 2 1HB PRO 2 8.755 9.882 -6.689 12 HG2 PRO 2 2HG PRO 2 8.755 7.245 -8.057 13 HG3 PRO 2 1HG PRO 2 7.941 8.751 -8.505 14 HD2 PRO 2 2HD PRO 2 10.254 7.844 -9.668 15 HD3 PRO 2 1HD PRO 2 9.762 9.551 -9.620 16 H LEU 3 H LEU 3 12.056 8.691 -4.551 17 HA LEU 3 HA LEU 3 13.118 6.052 -4.880 18 HB2 LEU 3 2HB LEU 3 13.046 8.216 -2.940 19 HB3 LEU 3 1HB LEU 3 12.956 6.648 -2.137 20 HG LEU 3 HG LEU 3 14.948 6.976 -4.341 21 HD11 LEU 3 1HD1 LEU 3 16.541 8.087 -2.977 22 HD12 LEU 3 2HD1 LEU 3 15.571 7.862 -1.521 23 HD13 LEU 3 3HD1 LEU 3 15.053 9.008 -2.757 24 HD21 LEU 3 3HD2 LEU 3 14.995 5.579 -1.646 25 HD22 LEU 3 1HD2 LEU 3 16.214 5.426 -2.911 26 HD23 LEU 3 2HD2 LEU 3 14.583 4.811 -3.178 27 H ILE 4 H ILE 4 12.549 4.652 -2.574 28 HA ILE 4 HA ILE 4 10.215 3.194 -3.143 29 HB ILE 4 HB ILE 4 12.021 3.629 -0.800 30 HG12 ILE 4 2HG1 ILE 4 12.410 2.019 -2.729 31 HG13 ILE 4 1HG1 ILE 4 12.479 1.292 -1.123 32 HG21 ILE 4 1HG2 ILE 4 9.740 3.551 0.215 33 HG22 ILE 4 2HG2 ILE 4 10.706 2.137 0.635 34 HG23 ILE 4 3HG2 ILE 4 9.455 2.013 -0.601 35 HD11 ILE 4 3HD1 ILE 4 11.125 -0.037 -2.775 36 HD12 ILE 4 1HD1 ILE 4 9.995 1.315 -2.858 37 HD13 ILE 4 2HD1 ILE 4 10.220 0.446 -1.340 38 HA PRO 5 HA PRO 5 7.003 5.853 -1.711 39 HB2 PRO 5 2HB PRO 5 5.018 3.991 -1.469 40 HB3 PRO 5 1HB PRO 5 5.577 4.608 -3.034 41 HG2 PRO 5 2HG PRO 5 6.175 2.031 -1.695 42 HG3 PRO 5 1HG PRO 5 5.983 2.392 -3.416 43 HD2 PRO 5 2HD PRO 5 8.406 2.046 -2.142 44 HD3 PRO 5 1HD PRO 5 8.180 2.922 -3.670 45 H ALA 6 H ALA 6 5.587 6.079 0.218 46 HA ALA 6 HA ALA 6 6.918 5.147 2.640 47 HB1 ALA 6 1HB ALA 6 5.517 6.775 3.697 48 HB2 ALA 6 2HB ALA 6 4.358 6.733 2.368 49 HB3 ALA 6 3HB ALA 6 5.947 7.461 2.131 50 H ILE 7 H ILE 7 4.062 4.320 0.800 51 HA ILE 7 HA ILE 7 2.438 3.089 2.734 52 HB ILE 7 HB ILE 7 1.562 3.295 0.567 53 HG12 ILE 7 2HG1 ILE 7 0.986 1.067 -0.145 54 HG13 ILE 7 1HG1 ILE 7 2.432 0.394 0.609 55 HG21 ILE 7 1HG2 ILE 7 4.269 2.809 -0.231 56 HG22 ILE 7 2HG2 ILE 7 2.934 3.415 -1.206 57 HG23 ILE 7 3HG2 ILE 7 3.227 1.681 -1.093 58 HD11 ILE 7 3HD1 ILE 7 0.525 -0.028 2.057 59 HD12 ILE 7 1HD1 ILE 7 0.087 1.680 2.032 60 HD13 ILE 7 2HD1 ILE 7 1.572 1.162 2.828 61 H TYR 8 H TYR 8 4.954 1.452 0.773 62 HA TYR 8 HA TYR 8 4.830 -1.098 1.879 63 HB2 TYR 8 2HB TYR 8 7.212 0.582 1.036 64 HB3 TYR 8 1HB TYR 8 7.268 -1.165 1.263 65 HD1 TYR 8 2HD TYR 8 4.024 -0.514 0.202 66 HD2 TYR 8 1HD TYR 8 8.044 -0.598 -1.315 67 HE1 TYR 8 2HE TYR 8 3.153 -0.840 -2.085 68 HE2 TYR 8 1HE TYR 8 7.162 -0.926 -3.608 69 HH TYR 8 HH TYR 8 4.751 -2.003 -4.518 70 H ILE 9 H ILE 9 6.061 1.838 3.347 71 HA ILE 9 HA ILE 9 7.513 0.546 5.504 72 HB ILE 9 HB ILE 9 6.246 3.302 5.319 73 HG12 ILE 9 2HG1 ILE 9 8.924 2.239 4.374 74 HG13 ILE 9 1HG1 ILE 9 7.665 2.990 3.392 75 HG21 ILE 9 1HG2 ILE 9 8.633 2.314 6.909 76 HG22 ILE 9 2HG2 ILE 9 7.026 2.586 7.583 77 HG23 ILE 9 3HG2 ILE 9 7.954 3.941 6.941 78 HD11 ILE 9 3HD1 ILE 9 9.505 4.577 3.889 79 HD12 ILE 9 1HD1 ILE 9 9.198 4.373 5.614 80 HD13 ILE 9 2HD1 ILE 9 7.975 5.115 4.582 81 H GLY 10 H GLY 10 6.713 -0.103 7.508 82 HA2 GLY 10 2HA GLY 10 5.068 -0.874 9.004 83 HA3 GLY 10 1HA GLY 10 4.384 0.743 8.809 84 H ALA 11 H ALA 11 4.790 -1.630 6.233 85 HA ALA 11 HA ALA 11 1.788 -1.799 6.034 86 HB1 ALA 11 1HB ALA 11 2.287 -0.575 4.159 87 HB2 ALA 11 2HB ALA 11 2.672 -2.161 3.491 88 HB3 ALA 11 3HB ALA 11 3.959 -1.133 4.121 89 H THR 12 H THR 12 1.720 -3.703 3.959 90 HA THR 12 HA THR 12 3.349 -6.027 4.836 91 HB THR 12 HB THR 12 0.367 -5.706 5.217 92 HG1 THR 12 1HG THR 12 0.908 -5.797 7.244 93 HG21 THR 12 3HG2 THR 12 2.005 -8.208 4.885 94 HG22 THR 12 1HG2 THR 12 0.433 -7.814 4.188 95 HG23 THR 12 2HG2 THR 12 0.564 -8.208 5.902 96 H VAL 13 H VAL 13 4.096 -6.118 2.627 97 HA VAL 13 HA VAL 13 2.092 -6.318 0.457 98 HB VAL 13 HB VAL 13 4.017 -6.144 -0.958 99 HG11 VAL 13 1HG1 VAL 13 4.728 -4.659 1.588 100 HG12 VAL 13 2HG1 VAL 13 3.517 -4.118 0.428 101 HG13 VAL 13 3HG1 VAL 13 5.209 -4.227 -0.052 102 HG21 VAL 13 3HG2 VAL 13 5.287 -7.572 1.268 103 HG22 VAL 13 1HG2 VAL 13 6.290 -6.271 0.625 104 HG23 VAL 13 2HG2 VAL 13 5.717 -7.553 -0.443 105 H GLY 14 H GLY 14 3.040 -8.197 -1.224 106 HA2 GLY 14 2HA GLY 14 2.695 -10.718 0.323 107 HA3 GLY 14 1HA GLY 14 2.392 -10.536 -1.406 108 HA PRO 15 HA PRO 15 6.571 -12.406 -0.899 109 HB2 PRO 15 2HB PRO 15 6.191 -14.380 -2.757 110 HB3 PRO 15 1HB PRO 15 5.735 -14.558 -1.051 111 HG2 PRO 15 2HG PRO 15 4.031 -13.945 -3.410 112 HG3 PRO 15 1HG PRO 15 3.685 -14.954 -1.998 113 HD2 PRO 15 2HD PRO 15 2.733 -12.412 -2.317 114 HD3 PRO 15 1HD PRO 15 2.997 -13.177 -0.735 115 H SER 16 H SER 16 4.734 -12.122 -3.970 116 HA SER 16 HA SER 16 6.996 -11.689 -5.666 117 HB2 SER 16 2HB SER 16 4.829 -12.301 -6.537 118 HB3 SER 16 1HB SER 16 4.073 -10.893 -5.797 119 HG SER 16 HG SER 16 5.271 -11.116 -8.182 120 H VAL 17 H VAL 17 4.720 -9.314 -4.228 121 HA VAL 17 HA VAL 17 6.015 -6.961 -5.146 122 HB VAL 17 HB VAL 17 4.428 -7.577 -2.633 123 HG11 VAL 17 1HG1 VAL 17 5.321 -4.968 -3.870 124 HG12 VAL 17 2HG1 VAL 17 5.529 -5.510 -2.205 125 HG13 VAL 17 3HG1 VAL 17 3.928 -5.064 -2.793 126 HG21 VAL 17 3HG2 VAL 17 3.452 -7.936 -5.012 127 HG22 VAL 17 1HG2 VAL 17 3.477 -6.176 -5.132 128 HG23 VAL 17 2HG2 VAL 17 2.515 -6.961 -3.879 129 H TRP 18 H TRP 18 6.462 -8.771 -2.091 130 HA TRP 18 HA TRP 18 8.333 -7.133 -0.801 131 HB2 TRP 18 2HB TRP 18 7.272 -9.249 0.024 132 HB3 TRP 18 1HB TRP 18 8.356 -10.161 -1.025 133 HD1 TRP 18 HD TRP 18 9.015 -7.186 1.363 134 HE1 TRP 18 1HE TRP 18 10.987 -7.816 2.899 135 HE3 TRP 18 3HE TRP 18 9.919 -11.939 -0.270 136 HZ2 TRP 18 2HZ TRP 18 12.719 -10.042 3.372 137 HZ3 TRP 18 3HZ TRP 18 11.735 -13.291 0.740 138 HH2 TRP 18 HH TRP 18 13.135 -12.349 2.557 139 H ALA 19 H ALA 19 9.241 -9.970 -2.796 140 HA ALA 19 HA ALA 19 11.972 -9.543 -3.036 141 HB1 ALA 19 1HB ALA 19 11.804 -11.105 -4.731 142 HB2 ALA 19 2HB ALA 19 10.451 -10.273 -5.498 143 HB3 ALA 19 3HB ALA 19 10.179 -11.260 -4.062 144 H TYR 20 H TYR 20 9.381 -7.901 -4.816 145 HA TYR 20 HA TYR 20 10.997 -6.522 -6.728 146 HB2 TYR 20 2HB TYR 20 8.484 -6.802 -6.653 147 HB3 TYR 20 1HB TYR 20 8.447 -5.584 -5.379 148 HD1 TYR 20 1HD TYR 20 9.157 -6.205 -8.950 149 HD2 TYR 20 2HD TYR 20 8.900 -3.247 -5.846 150 HE1 TYR 20 1HE TYR 20 9.225 -4.408 -10.657 151 HE2 TYR 20 2HE TYR 20 8.968 -1.450 -7.552 152 HH TYR 20 HH TYR 20 8.390 -1.934 -10.753 153 H LEU 21 H LEU 21 9.560 -5.182 -3.726 154 HA LEU 21 HA LEU 21 10.888 -2.728 -3.643 155 HB2 LEU 21 2HB LEU 21 9.112 -3.919 -2.117 156 HB3 LEU 21 1HB LEU 21 10.520 -4.418 -1.181 157 HG LEU 21 HG LEU 21 9.817 -1.557 -1.900 158 HD11 LEU 21 1HD1 LEU 21 9.164 -1.288 0.383 159 HD12 LEU 21 2HD1 LEU 21 9.819 -2.863 0.829 160 HD13 LEU 21 3HD1 LEU 21 8.369 -2.762 -0.169 161 HD21 LEU 21 3HD2 LEU 21 11.642 -1.288 0.006 162 HD22 LEU 21 1HD2 LEU 21 12.132 -1.511 -1.673 163 HD23 LEU 21 2HD2 LEU 21 12.152 -2.878 -0.559 164 H VAL 22 H VAL 22 12.119 -5.923 -2.711 165 HA VAL 22 HA VAL 22 14.503 -5.115 -1.384 166 HB VAL 22 HB VAL 22 13.767 -7.519 -3.074 167 HG11 VAL 22 1HG1 VAL 22 15.843 -8.359 -2.803 168 HG12 VAL 22 2HG1 VAL 22 15.847 -7.947 -1.088 169 HG13 VAL 22 3HG1 VAL 22 16.343 -6.749 -2.283 170 HG21 VAL 22 3HG2 VAL 22 13.051 -8.503 -1.093 171 HG22 VAL 22 1HG2 VAL 22 12.633 -6.818 -0.782 172 HG23 VAL 22 2HG2 VAL 22 14.106 -7.502 -0.095 173 H ALA 23 H ALA 23 14.005 -5.999 -4.805 174 HA ALA 23 HA ALA 23 16.626 -5.516 -5.744 175 HB1 ALA 23 1HB ALA 23 15.341 -6.500 -7.360 176 HB2 ALA 23 2HB ALA 23 15.008 -4.838 -7.843 177 HB3 ALA 23 3HB ALA 23 13.871 -5.699 -6.807 178 H LEU 24 H LEU 24 13.882 -3.262 -5.383 179 HA LEU 24 HA LEU 24 15.057 -0.986 -6.609 180 HB2 LEU 24 2HB LEU 24 12.669 -1.595 -5.610 181 HB3 LEU 24 1HB LEU 24 13.305 -0.765 -4.192 182 HG LEU 24 HG LEU 24 13.882 1.186 -5.648 183 HD11 LEU 24 1HD1 LEU 24 14.109 0.178 -7.800 184 HD12 LEU 24 2HD1 LEU 24 12.670 1.192 -7.903 185 HD13 LEU 24 3HD1 LEU 24 12.507 -0.553 -7.706 186 HD21 LEU 24 3HD2 LEU 24 11.241 1.475 -6.294 187 HD22 LEU 24 1HD2 LEU 24 11.891 1.733 -4.675 188 HD23 LEU 24 2HD2 LEU 24 11.152 0.187 -5.092 189 H VAL 25 H VAL 25 15.214 -2.171 -3.254 190 HA VAL 25 HA VAL 25 17.452 -0.233 -2.780 191 HB VAL 25 HB VAL 25 15.701 0.635 -1.496 192 HG11 VAL 25 1HG1 VAL 25 14.331 -1.188 -0.066 193 HG12 VAL 25 2HG1 VAL 25 14.774 -2.192 -1.446 194 HG13 VAL 25 3HG1 VAL 25 13.855 -0.709 -1.695 195 HG21 VAL 25 3HG2 VAL 25 17.742 -0.670 -0.129 196 HG22 VAL 25 1HG2 VAL 25 16.278 -1.185 0.709 197 HG23 VAL 25 2HG2 VAL 25 16.644 0.533 0.545 198 H GLY 26 H GLY 26 16.295 -2.652 -0.482 199 HA2 GLY 26 2HA GLY 26 17.984 -4.811 -1.146 200 HA3 GLY 26 1HA GLY 26 18.904 -3.743 -0.085 201 H ALA 27 H ALA 27 18.271 -6.304 0.786 202 HA ALA 27 HA ALA 27 15.842 -6.582 2.233 203 HB1 ALA 27 1HB ALA 27 18.263 -7.961 1.789 204 HB2 ALA 27 2HB ALA 27 16.828 -8.580 2.606 205 HB3 ALA 27 3HB ALA 27 18.113 -7.813 3.539 206 H ALA 28 H ALA 28 18.638 -4.625 2.887 207 HA ALA 28 HA ALA 28 18.314 -4.443 5.750 208 HB1 ALA 28 1HB ALA 28 20.430 -3.829 5.033 209 HB2 ALA 28 2HB ALA 28 19.684 -2.233 5.109 210 HB3 ALA 28 3HB ALA 28 19.817 -3.071 3.563 211 H ALA 29 H ALA 29 17.733 -1.965 3.222 212 HA ALA 29 HA ALA 29 16.132 -0.285 4.914 213 HB1 ALA 29 1HB ALA 29 16.318 1.037 3.078 214 HB2 ALA 29 2HB ALA 29 15.503 -0.158 2.069 215 HB3 ALA 29 3HB ALA 29 17.242 -0.270 2.337 216 H VAL 30 H VAL 30 15.455 -3.190 3.133 217 HA VAL 30 HA VAL 30 12.577 -2.812 2.916 218 HB VAL 30 HB VAL 30 14.509 -5.127 2.671 219 HG11 VAL 30 1HG1 VAL 30 11.590 -5.161 2.971 220 HG12 VAL 30 2HG1 VAL 30 12.743 -6.492 3.062 221 HG13 VAL 30 3HG1 VAL 30 12.145 -5.949 1.494 222 HG21 VAL 30 3HG2 VAL 30 12.782 -4.336 0.423 223 HG22 VAL 30 1HG2 VAL 30 14.523 -4.618 0.456 224 HG23 VAL 30 2HG2 VAL 30 13.873 -3.059 0.961 225 H THR 31 H THR 31 14.794 -4.251 5.273 226 HA THR 31 HA THR 31 12.534 -5.293 6.893 227 HB THR 31 HB THR 31 15.516 -5.321 7.438 228 HG1 THR 31 1HG THR 31 15.229 -7.500 6.478 229 HG21 THR 31 3HG2 THR 31 13.423 -6.059 9.038 230 HG22 THR 31 1HG2 THR 31 15.040 -6.759 9.131 231 HG23 THR 31 2HG2 THR 31 13.778 -7.575 8.208 232 H ALA 32 H ALA 32 14.493 -2.480 6.644 233 HA ALA 32 HA ALA 32 14.189 -1.713 9.486 234 HB1 ALA 32 1HB ALA 32 15.379 0.366 8.523 235 HB2 ALA 32 2HB ALA 32 15.473 -0.539 7.012 236 HB3 ALA 32 3HB ALA 32 16.267 -1.157 8.460 237 H ALA 33 H ALA 33 12.672 -1.143 6.387 238 HA ALA 33 HA ALA 33 11.223 1.260 7.246 239 HB1 ALA 33 1HB ALA 33 11.889 0.937 4.926 240 HB2 ALA 33 2HB ALA 33 10.128 0.895 5.009 241 HB3 ALA 33 3HB ALA 33 11.040 -0.607 4.860 242 H ASN 34 H ASN 34 10.945 -1.779 8.310 243 HA ASN 34 HA ASN 34 9.201 -3.010 9.305 244 HB2 ASN 34 2HB ASN 34 8.839 -0.783 10.318 245 HB3 ASN 34 1HB ASN 34 7.813 -0.335 8.959 246 HD21 ASN 34 1HD2 ASN 34 7.513 -3.664 9.852 247 HD22 ASN 34 2HD2 ASN 34 6.066 -3.521 10.724 248 H ILE 35 H ILE 35 9.248 -4.106 7.076 249 HA ILE 35 HA ILE 35 6.628 -3.706 5.664 250 HB ILE 35 HB ILE 35 9.393 -4.519 4.734 251 HG12 ILE 35 2HG1 ILE 35 7.621 -2.473 3.442 252 HG13 ILE 35 1HG1 ILE 35 8.429 -2.057 4.954 253 HG21 ILE 35 1HG2 ILE 35 6.748 -4.714 3.263 254 HG22 ILE 35 2HG2 ILE 35 7.831 -6.046 3.666 255 HG23 ILE 35 3HG2 ILE 35 8.325 -4.834 2.485 256 HD11 ILE 35 3HD1 ILE 35 9.681 -1.533 2.752 257 HD12 ILE 35 1HD1 ILE 35 9.955 -3.273 2.653 258 HD13 ILE 35 2HD1 ILE 35 10.581 -2.358 4.024 259 H ARG 36 H ARG 36 5.264 -5.404 6.077 260 HA ARG 36 HA ARG 36 6.426 -8.009 6.947 261 HB2 ARG 36 2HB ARG 36 3.618 -6.856 7.022 262 HB3 ARG 36 1HB ARG 36 4.106 -8.389 7.745 263 HG2 ARG 36 2HG ARG 36 5.973 -6.603 8.750 264 HG3 ARG 36 1HG ARG 36 4.481 -5.661 8.742 265 HD2 ARG 36 2HD ARG 36 4.419 -8.480 9.794 266 HD3 ARG 36 1HD ARG 36 5.017 -7.169 10.832 267 HE ARG 36 HE ARG 36 2.687 -6.144 9.718 268 HH11 ARG 36 1HH2 ARG 36 3.521 -9.059 11.366 269 HH12 ARG 36 2HH2 ARG 36 2.005 -9.178 12.195 270 HH21 ARG 36 1HH1 ARG 36 0.733 -6.247 10.852 271 HH22 ARG 36 2HH1 ARG 36 0.428 -7.587 11.905 272 H ARG 37 H ARG 37 5.835 -9.957 5.885 273 HA ARG 37 HA ARG 37 4.863 -9.604 3.088 274 HB2 ARG 37 2HB ARG 37 6.631 -11.452 4.611 275 HB3 ARG 37 1HB ARG 37 5.720 -12.167 3.280 276 HG2 ARG 37 2HG ARG 37 6.677 -9.741 2.258 277 HG3 ARG 37 1HG ARG 37 8.027 -10.404 3.180 278 HD2 ARG 37 2HD ARG 37 6.478 -11.814 0.977 279 HD3 ARG 37 1HD ARG 37 8.177 -11.301 0.927 280 HE ARG 37 HE ARG 37 7.174 -13.318 2.904 281 HH11 ARG 37 1HH2 ARG 37 8.436 -14.071 0.185 282 HH12 ARG 37 2HH2 ARG 37 10.054 -14.438 0.683 283 HH21 ARG 37 1HH1 ARG 37 9.726 -12.920 3.783 284 HH22 ARG 37 2HH1 ARG 37 10.784 -13.786 2.721 285 H ALA 38 H ALA 38 3.143 -10.974 2.301 286 HA ALA 38 HA ALA 38 1.498 -12.257 4.459 287 HB1 ALA 38 1HB ALA 38 -0.280 -11.012 3.764 288 HB2 ALA 38 2HB ALA 38 0.129 -11.221 2.061 289 HB3 ALA 38 3HB ALA 38 0.942 -9.982 3.018 290 H SER 39 H SER 39 -0.140 -13.845 3.411 291 HA SER 39 HA SER 39 1.151 -15.989 2.158 292 HB2 SER 39 2HB SER 39 -0.962 -16.899 2.206 293 HB3 SER 39 1HB SER 39 -1.297 -15.475 3.187 294 HG SER 39 HG SER 39 -2.705 -15.072 1.674 295 H SER 40 H SER 40 -0.182 -13.082 0.700 296 HA SER 40 HA SER 40 1.192 -13.571 -1.808 297 HB2 SER 40 2HB SER 40 -1.731 -14.208 -1.477 298 HB3 SER 40 1HB SER 40 -1.119 -13.676 -3.040 299 HG SER 40 HG SER 40 -1.028 -15.938 -2.853 300 H ASP 41 H ASP 41 -0.042 -11.964 -3.542 301 HA ASP 41 HA ASP 41 0.405 -9.316 -2.675 302 HB2 ASP 41 2HB ASP 41 -0.981 -10.710 -4.916 303 HB3 ASP 41 1HB ASP 41 -1.321 -8.990 -4.721 304 H ASN 42 H ASN 42 -2.391 -11.362 -2.233 305 HA ASN 42 HA ASN 42 -4.184 -9.115 -1.571 306 HB2 ASN 42 2HB ASN 42 -5.031 -11.073 -2.747 307 HB3 ASN 42 1HB ASN 42 -4.428 -12.137 -1.477 308 HD21 ASN 42 1HD2 ASN 42 -7.296 -11.346 -2.483 309 HD22 ASN 42 2HD2 ASN 42 -8.122 -11.006 -1.040 310 H HIS 43 H HIS 43 -3.687 -8.150 0.403 311 HA HIS 43 HA HIS 43 -3.684 -9.904 2.802 312 HB2 HIS 43 2HB HIS 43 -1.657 -8.454 3.562 313 HB3 HIS 43 1HB HIS 43 -1.367 -9.758 2.414 314 HD1 HIS 43 1HD HIS 43 -1.518 -6.006 2.664 315 HD2 HIS 43 2HD HIS 43 -0.683 -8.912 -0.205 316 HE1 HIS 43 1HE HIS 43 -0.419 -4.795 0.715 317 H SER 44 H SER 44 -3.363 -8.214 4.795 318 HA SER 44 HA SER 44 -5.547 -6.233 4.447 319 HB2 SER 44 2HB SER 44 -4.695 -8.048 6.439 320 HB3 SER 44 1HB SER 44 -4.407 -6.442 7.100 321 HG SER 44 HG SER 44 -6.475 -6.358 7.409 322 H CYS 45 H CYS 45 -5.221 -4.001 4.943 323 HA CYS 45 HA CYS 45 -2.408 -3.148 5.479 324 HB2 CYS 45 2HB CYS 45 -2.765 -1.433 3.657 325 HB3 CYS 45 1HB CYS 45 -2.686 -3.092 3.088 326 H ALA 46 H ALA 46 -2.579 -0.533 5.589 327 HA ALA 46 HA ALA 46 -3.271 1.195 7.068 328 HB1 ALA 46 1HB ALA 46 -4.998 0.896 5.098 329 HB2 ALA 46 2HB ALA 46 -5.420 1.933 6.461 330 HB3 ALA 46 3HB ALA 46 -6.059 0.291 6.371 331 H GLY 47 H GLY 47 -2.743 -1.267 8.387 332 HA2 GLY 47 2HA GLY 47 -3.077 -2.181 10.532 333 HA3 GLY 47 1HA GLY 47 -4.281 -0.920 10.820 334 H ASN 48 H ASN 48 -5.653 -2.625 11.773 335 HA ASN 48 HA ASN 48 -6.637 -4.750 10.016 336 HB2 ASN 48 2HB ASN 48 -6.695 -3.959 12.836 337 HB3 ASN 48 1HB ASN 48 -8.239 -4.606 12.281 338 HD21 ASN 48 1HD2 ASN 48 -4.734 -5.380 12.397 339 HD22 ASN 48 2HD2 ASN 48 -4.949 -7.064 12.353 340 H ARG 49 H ARG 49 -7.113 -2.186 8.889 341 HA ARG 49 HA ARG 49 -10.047 -1.809 9.315 342 HB2 ARG 49 2HB ARG 49 -7.733 0.000 8.669 343 HB3 ARG 49 1HB ARG 49 -9.381 0.494 8.291 344 HG2 ARG 49 2HG ARG 49 -9.446 -0.545 10.923 345 HG3 ARG 49 1HG ARG 49 -8.040 0.517 10.838 346 HD2 ARG 49 2HD ARG 49 -9.612 2.226 9.704 347 HD3 ARG 49 1HD ARG 49 -10.935 1.207 10.307 348 HE ARG 49 HE ARG 49 -9.325 1.491 12.522 349 HH11 ARG 49 1HH2 ARG 49 -11.474 3.341 10.657 350 HH12 ARG 49 2HH2 ARG 49 -11.291 4.787 11.593 351 HH21 ARG 49 1HH1 ARG 49 -8.751 3.500 13.572 352 HH22 ARG 49 2HH1 ARG 49 -9.750 4.876 13.245 353 H GLY 50 H GLY 50 -7.475 -2.090 6.861 354 HA2 GLY 50 2HA GLY 50 -9.657 -2.308 4.817 355 HA3 GLY 50 1HA GLY 50 -8.066 -1.647 4.453 356 H TRP 51 H TRP 51 -9.075 -3.730 2.938 357 HA TRP 51 HA TRP 51 -7.196 -5.950 3.633 358 HB2 TRP 51 2HB TRP 51 -10.144 -5.924 3.458 359 HB3 TRP 51 1HB TRP 51 -9.384 -7.211 2.525 360 HD1 TRP 51 HD TRP 51 -10.804 -6.790 5.738 361 HE1 TRP 51 1HE TRP 51 -9.754 -8.339 7.510 362 HE3 TRP 51 3HE TRP 51 -6.536 -8.160 3.292 363 HZ2 TRP 51 2HZ TRP 51 -7.414 -9.949 7.846 364 HZ3 TRP 51 3HZ TRP 51 -4.916 -9.699 4.361 365 HH2 TRP 51 HH TRP 51 -5.348 -10.596 6.632 366 H CYS 52 H CYS 52 -6.965 -7.406 1.550 367 HA CYS 52 HA CYS 52 -7.043 -5.584 -0.831 368 HB2 CYS 52 2HB CYS 52 -4.868 -6.514 0.300 369 HB3 CYS 52 1HB CYS 52 -5.283 -8.001 -0.552 370 H ARG 53 H ARG 53 -8.437 -6.162 -2.393 371 HA ARG 53 HA ARG 53 -9.008 -9.062 -2.866 372 HB2 ARG 53 2HB ARG 53 -11.039 -6.807 -2.940 373 HB3 ARG 53 1HB ARG 53 -11.366 -8.535 -3.036 374 HG2 ARG 53 2HG ARG 53 -11.606 -8.558 -0.803 375 HG3 ARG 53 1HG ARG 53 -9.894 -8.162 -0.658 376 HD2 ARG 53 2HD ARG 53 -10.617 -5.706 -1.046 377 HD3 ARG 53 1HD ARG 53 -12.255 -6.278 -0.668 378 HE ARG 53 HE ARG 53 -10.072 -6.030 1.236 379 HH11 ARG 53 1HH1 ARG 53 -13.046 -5.793 1.807 380 HH12 ARG 53 2HH1 ARG 53 -13.324 -7.208 2.766 381 HH21 ARG 53 1HH2 ARG 53 -10.350 -8.738 1.850 382 HH22 ARG 53 2HH2 ARG 53 -11.798 -8.875 2.790 383 H SER 54 H SER 54 -9.634 -9.457 -5.150 384 HA SER 54 HA SER 54 -8.144 -8.171 -7.119 385 HB2 SER 54 2HB SER 54 -9.821 -9.155 -8.665 386 HB3 SER 54 1HB SER 54 -9.405 -10.279 -7.377 387 HG SER 54 HG SER 54 -11.538 -10.299 -7.244 388 H LYS 55 H LYS 55 -11.394 -7.380 -5.970 389 HA LYS 55 HA LYS 55 -11.098 -4.622 -7.040 390 HB2 LYS 55 2HB LYS 55 -12.449 -5.300 -8.742 391 HB3 LYS 55 1HB LYS 55 -12.823 -6.818 -7.943 392 HG2 LYS 55 2HG LYS 55 -14.437 -5.559 -6.477 393 HG3 LYS 55 1HG LYS 55 -14.172 -4.143 -7.496 394 HD2 LYS 55 2HD LYS 55 -14.760 -5.717 -9.473 395 HD3 LYS 55 1HD LYS 55 -15.433 -6.780 -8.236 396 HE2 LYS 55 2HE LYS 55 -17.331 -5.540 -8.385 397 HE3 LYS 55 1HE LYS 55 -16.429 -4.232 -7.593 398 HZ1 LYS 55 3HZ LYS 55 -17.383 -3.709 -9.865 399 HZ2 LYS 55 1HZ LYS 55 -16.219 -4.768 -10.499 400 HZ3 LYS 55 2HZ LYS 55 -15.730 -3.380 -9.651 401 H CYS 56 H CYS 56 -13.195 -3.354 -6.114 402 HA CYS 56 HA CYS 56 -13.621 -4.299 -3.294 403 HB2 CYS 56 2HB CYS 56 -13.538 -1.429 -4.248 404 HB3 CYS 56 1HB CYS 56 -13.405 -2.020 -2.597 405 H PHE 57 H PHE 57 -15.686 -3.397 -2.331 406 HA PHE 57 HA PHE 57 -17.908 -3.780 -4.191 407 HB2 PHE 57 2HB PHE 57 -17.938 -2.881 -1.298 408 HB3 PHE 57 1HB PHE 57 -19.206 -3.742 -2.168 409 HD1 PHE 57 2HD PHE 57 -17.640 -5.779 -3.639 410 HD2 PHE 57 1HD PHE 57 -17.274 -4.377 0.405 411 HE1 PHE 57 2HE PHE 57 -16.628 -7.945 -2.980 412 HE2 PHE 57 1HE PHE 57 -16.262 -6.543 1.064 413 HZ PHE 57 HZ PHE 57 -15.939 -8.327 -0.629 414 H ARG 58 H ARG 58 -19.807 -2.105 -3.927 415 HA ARG 58 HA ARG 58 -18.872 0.444 -4.906 416 HB2 ARG 58 2HB ARG 58 -21.078 -1.043 -5.229 417 HB3 ARG 58 1HB ARG 58 -21.662 0.013 -3.943 418 HG2 ARG 58 2HG ARG 58 -21.097 1.992 -5.263 419 HG3 ARG 58 1HG ARG 58 -20.414 0.976 -6.533 420 HD2 ARG 58 2HD ARG 58 -22.632 -0.061 -6.906 421 HD3 ARG 58 1HD ARG 58 -23.321 0.978 -5.641 422 HE ARG 58 HE ARG 58 -21.843 2.392 -7.762 423 HH11 ARG 58 1HH2 ARG 58 -24.761 0.736 -7.538 424 HH12 ARG 58 2HH2 ARG 58 -25.758 2.082 -7.978 425 HH21 ARG 58 1HH1 ARG 58 -23.159 4.376 -7.891 426 HH22 ARG 58 2HH1 ARG 58 -24.851 4.144 -8.177 427 H HIS 59 H HIS 59 -20.283 -0.666 -1.832 428 HA HIS 59 HA HIS 59 -20.455 1.968 -0.646 429 HB2 HIS 59 2HB HIS 59 -21.246 -0.654 -0.092 430 HB3 HIS 59 1HB HIS 59 -20.094 -0.276 1.190 431 HD1 HIS 59 1HD HIS 59 -21.843 0.060 3.045 432 HD2 HIS 59 2HD HIS 59 -22.488 2.498 -0.275 433 HE1 HIS 59 1HE HIS 59 -23.609 1.743 3.724 434 H GLU 60 H GLU 60 -17.773 0.160 -1.523 435 HA GLU 60 HA GLU 60 -16.102 1.432 0.621 436 HB2 GLU 60 2HB GLU 60 -16.193 -1.289 -0.620 437 HB3 GLU 60 1HB GLU 60 -14.625 -0.665 -0.114 438 HG2 GLU 60 2HG GLU 60 -16.012 -0.038 2.085 439 HG3 GLU 60 1HG GLU 60 -16.998 -1.395 1.538 440 H TYR 61 H TYR 61 -13.637 1.226 -0.348 441 HA TYR 61 HA TYR 61 -13.613 2.002 -3.221 442 HB2 TYR 61 2HB TYR 61 -12.605 4.129 -2.756 443 HB3 TYR 61 1HB TYR 61 -13.993 4.005 -1.680 444 HD1 TYR 61 1HD TYR 61 -13.449 2.788 0.649 445 HD2 TYR 61 2HD TYR 61 -10.570 4.802 -1.823 446 HE1 TYR 61 1HE TYR 61 -11.966 3.071 2.613 447 HE2 TYR 61 2HE TYR 61 -9.087 5.086 0.144 448 HH TYR 61 HH TYR 61 -8.700 4.332 2.278 449 H VAL 62 H VAL 62 -10.967 2.960 -3.202 450 HA VAL 62 HA VAL 62 -9.411 0.561 -2.277 451 HB VAL 62 HB VAL 62 -9.361 2.161 -4.851 452 HG11 VAL 62 1HG1 VAL 62 -7.438 0.661 -5.481 453 HG12 VAL 62 2HG1 VAL 62 -7.357 0.144 -3.797 454 HG13 VAL 62 3HG1 VAL 62 -7.047 1.829 -4.218 455 HG21 VAL 62 3HG2 VAL 62 -9.438 -0.831 -4.607 456 HG22 VAL 62 1HG2 VAL 62 -10.089 0.200 -5.881 457 HG23 VAL 62 2HG2 VAL 62 -10.915 0.092 -4.326 458 H ASP 63 H ASP 63 -8.298 1.468 -0.508 459 HA ASP 63 HA ASP 63 -7.515 4.138 -0.143 460 HB2 ASP 63 2HB ASP 63 -5.698 3.038 1.294 461 HB3 ASP 63 1HB ASP 63 -7.355 2.550 1.639 462 H THR 64 H THR 64 -6.790 4.959 -2.197 463 HA THR 64 HA THR 64 -4.903 3.999 -3.974 464 HB THR 64 HB THR 64 -4.226 6.611 -3.873 465 HG1 THR 64 1HG THR 64 -6.813 6.718 -2.845 466 HG21 THR 64 3HG2 THR 64 -5.329 6.072 -5.805 467 HG22 THR 64 1HG2 THR 64 -6.669 6.873 -4.985 468 HG23 THR 64 2HG2 THR 64 -6.546 5.113 -4.963 469 H TYR 65 H TYR 65 -4.309 5.080 -0.696 470 HA TYR 65 HA TYR 65 -1.455 5.479 -0.952 471 HB2 TYR 65 2HB TYR 65 -3.198 6.255 0.823 472 HB3 TYR 65 1HB TYR 65 -2.916 4.678 1.558 473 HD1 TYR 65 2HD TYR 65 -0.334 4.008 1.745 474 HD2 TYR 65 1HD TYR 65 -1.834 8.025 1.493 475 HE1 TYR 65 2HE TYR 65 1.761 4.854 2.768 476 HE2 TYR 65 1HE TYR 65 0.261 8.872 2.516 477 HH TYR 65 HH TYR 65 2.331 7.105 4.194 478 H TYR 66 H TYR 66 -3.404 2.763 0.351 479 HA TYR 66 HA TYR 66 -0.975 1.108 0.606 480 HB2 TYR 66 2HB TYR 66 -3.896 0.866 1.305 481 HB3 TYR 66 1HB TYR 66 -2.806 -0.514 1.457 482 HD1 TYR 66 2HD TYR 66 -3.584 2.875 2.684 483 HD2 TYR 66 1HD TYR 66 -1.010 -0.536 3.099 484 HE1 TYR 66 2HE TYR 66 -2.729 3.780 4.827 485 HE2 TYR 66 1HE TYR 66 -0.152 0.368 5.240 486 HH TYR 66 HH TYR 66 -0.902 1.925 7.009 487 H SER 67 H SER 67 -3.115 1.782 -1.918 488 HA SER 67 HA SER 67 -3.696 -0.694 -3.134 489 HB2 SER 67 2HB SER 67 -4.490 1.324 -4.121 490 HB3 SER 67 1HB SER 67 -2.879 2.033 -4.161 491 HG SER 67 HG SER 67 -4.002 0.019 -5.783 492 H ALA 68 H ALA 68 -0.657 0.908 -2.610 493 HA ALA 68 HA ALA 68 0.913 -0.484 -4.599 494 HB1 ALA 68 1HB ALA 68 1.948 0.621 -1.996 495 HB2 ALA 68 2HB ALA 68 1.289 1.710 -3.217 496 HB3 ALA 68 3HB ALA 68 2.682 0.697 -3.598 497 H VAL 69 H VAL 69 1.085 -0.808 -1.013 498 HA VAL 69 HA VAL 69 2.556 -3.146 -0.843 499 HB VAL 69 HB VAL 69 1.715 -1.787 1.055 500 HG11 VAL 69 1HG1 VAL 69 -0.520 -1.304 0.574 501 HG12 VAL 69 2HG1 VAL 69 -0.629 -2.484 1.881 502 HG13 VAL 69 3HG1 VAL 69 -0.897 -2.989 0.212 503 HG21 VAL 69 3HG2 VAL 69 0.792 -3.918 2.383 504 HG22 VAL 69 1HG2 VAL 69 2.495 -3.743 1.959 505 HG23 VAL 69 2HG2 VAL 69 1.433 -4.735 0.963 506 H CYS 70 H CYS 70 -0.811 -2.819 -1.810 507 HA CYS 70 HA CYS 70 -1.555 -5.592 -1.671 508 HB2 CYS 70 2HB CYS 70 -2.508 -3.049 -2.811 509 HB3 CYS 70 1HB CYS 70 -3.017 -4.469 -3.725 510 H GLY 71 H GLY 71 -0.827 -3.664 -4.610 511 HA2 GLY 71 2HA GLY 71 0.803 -4.384 -6.285 512 HA3 GLY 71 1HA GLY 71 0.598 -6.041 -5.713 513 H ARG 72 H ARG 72 -0.273 -7.146 -7.419 514 HA ARG 72 HA ARG 72 -1.837 -6.152 -9.528 515 HB2 ARG 72 2HB ARG 72 -1.322 -8.754 -8.193 516 HB3 ARG 72 1HB ARG 72 -2.753 -8.697 -9.223 517 HG2 ARG 72 2HG ARG 72 -0.911 -9.368 -10.620 518 HG3 ARG 72 1HG ARG 72 -1.290 -7.695 -11.032 519 HD2 ARG 72 2HD ARG 72 0.631 -6.861 -9.984 520 HD3 ARG 72 1HD ARG 72 0.774 -8.270 -8.913 521 HE ARG 72 HE ARG 72 1.810 -9.473 -10.688 522 HH11 ARG 72 1HH1 ARG 72 0.096 -6.741 -11.875 523 HH12 ARG 72 2HH1 ARG 72 0.949 -6.687 -13.381 524 HH21 ARG 72 1HH2 ARG 72 3.067 -9.312 -12.580 525 HH22 ARG 72 2HH2 ARG 72 2.630 -8.143 -13.781 526 H TYR 73 H TYR 73 -2.849 -7.180 -6.290 527 HA TYR 73 HA TYR 73 -5.713 -6.882 -6.913 528 HB2 TYR 73 2HB TYR 73 -4.016 -7.565 -4.514 529 HB3 TYR 73 1HB TYR 73 -5.746 -7.277 -4.336 530 HD1 TYR 73 2HD TYR 73 -3.494 -9.097 -6.735 531 HD2 TYR 73 1HD TYR 73 -7.074 -9.178 -4.364 532 HE1 TYR 73 2HE TYR 73 -3.957 -11.405 -7.514 533 HE2 TYR 73 1HE TYR 73 -7.537 -11.486 -5.140 534 HH TYR 73 HH TYR 73 -5.425 -13.471 -6.364 535 H PHE 74 H PHE 74 -6.835 -5.581 -4.886 536 HA PHE 74 HA PHE 74 -5.491 -2.903 -4.700 537 HB2 PHE 74 2HB PHE 74 -8.387 -3.602 -5.286 538 HB3 PHE 74 1HB PHE 74 -7.801 -1.966 -4.993 539 HD1 PHE 74 2HD PHE 74 -5.414 -1.600 -6.416 540 HD2 PHE 74 1HD PHE 74 -8.781 -4.022 -7.520 541 HE1 PHE 74 2HE PHE 74 -4.775 -1.402 -8.802 542 HE2 PHE 74 1HE PHE 74 -8.147 -3.826 -9.906 543 HZ PHE 74 HZ PHE 74 -6.139 -2.515 -10.551 544 H CYS 75 H CYS 75 -5.365 -2.232 -2.567 545 HA CYS 75 HA CYS 75 -6.674 -3.814 -0.480 546 HB2 CYS 75 2HB CYS 75 -4.430 -2.148 -0.741 547 HB3 CYS 75 1HB CYS 75 -5.514 -1.274 0.341 548 H CYS 76 H CYS 76 -8.920 -3.493 -0.603 549 HA CYS 76 HA CYS 76 -10.051 -0.836 -1.016 550 HB2 CYS 76 2HB CYS 76 -11.466 -3.308 -0.011 551 HB3 CYS 76 1HB CYS 76 -12.120 -2.013 -1.005 552 H ARG 77 H ARG 77 -11.496 0.177 0.593 553 HA ARG 77 HA ARG 77 -11.078 -0.617 3.423 554 HB2 ARG 77 2HB ARG 77 -9.694 1.512 1.982 555 HB3 ARG 77 1HB ARG 77 -10.562 2.132 3.386 556 HG2 ARG 77 2HG ARG 77 -9.471 -0.043 4.518 557 HG3 ARG 77 1HG ARG 77 -8.263 0.241 3.264 558 HD2 ARG 77 2HD ARG 77 -7.626 1.476 5.288 559 HD3 ARG 77 1HD ARG 77 -8.117 2.638 4.040 560 HE ARG 77 HE ARG 77 -10.483 2.027 5.354 561 HH11 ARG 77 1HH2 ARG 77 -7.339 3.098 6.299 562 HH12 ARG 77 2HH2 ARG 77 -7.918 4.032 7.636 563 HH21 ARG 77 1HH1 ARG 77 -11.252 3.266 7.077 564 HH22 ARG 77 2HH1 ARG 77 -10.131 4.128 8.077 565 H SER 78 H SER 78 -12.388 0.932 4.866 566 HA SER 78 HA SER 78 -14.963 1.548 3.482 567 HB2 SER 78 2HB SER 78 -15.936 0.799 5.414 568 HB3 SER 78 1HB SER 78 -14.362 0.060 5.695 569 HG SER 78 HG SER 78 -15.080 1.351 7.463 570 H ARG 79 H ARG 79 -15.225 3.677 2.976 571 HA ARG 79 HA ARG 79 -13.658 5.786 4.262 572 HB2 ARG 79 2HB ARG 79 -14.439 5.578 1.825 573 HB3 ARG 79 1HB ARG 79 -16.037 6.044 2.408 574 HG2 ARG 79 2HG ARG 79 -14.824 8.047 3.516 575 HG3 ARG 79 1HG ARG 79 -13.488 7.654 2.432 576 HD2 ARG 79 2HD ARG 79 -15.894 7.613 0.884 577 HD3 ARG 79 1HD ARG 79 -15.858 9.127 1.810 578 HE ARG 79 HE ARG 79 -13.318 8.350 0.522 579 HH11 ARG 79 1HH1 ARG 79 -15.877 9.130 -1.205 580 HH12 ARG 79 2HH1 ARG 79 -15.441 10.760 -1.599 581 HH21 ARG 79 1HH2 ARG 79 -12.887 10.923 0.740 582 HH22 ARG 79 2HH2 ARG 79 -13.748 11.775 -0.498 Start of MODEL 2 1 H1 ASN 1 1HT ASN 1 16.791 7.718 -9.582 2 H2 ASN 1 2HT ASN 1 18.250 8.586 -9.501 3 H3 ASN 1 3HT ASN 1 16.766 9.394 -9.323 4 HA ASN 1 HA ASN 1 18.187 7.676 -7.397 5 HB2 ASN 1 2HB ASN 1 16.596 10.256 -7.234 6 HB3 ASN 1 1HB ASN 1 17.640 9.591 -5.977 7 HD21 ASN 1 1HD2 ASN 1 19.766 10.337 -5.997 8 HD22 ASN 1 2HD2 ASN 1 20.530 11.062 -7.328 9 HA PRO 2 HA PRO 2 13.869 6.034 -7.313 10 HB2 PRO 2 2HB PRO 2 14.608 3.424 -6.942 11 HB3 PRO 2 1HB PRO 2 14.466 4.170 -8.546 12 HG2 PRO 2 2HG PRO 2 16.899 3.632 -6.918 13 HG3 PRO 2 1HG PRO 2 16.656 3.494 -8.666 14 HD2 PRO 2 2HD PRO 2 17.935 5.593 -7.481 15 HD3 PRO 2 1HD PRO 2 17.073 5.713 -9.031 16 H LEU 3 H LEU 3 13.121 6.615 -5.288 17 HA LEU 3 HA LEU 3 14.538 5.505 -2.889 18 HB2 LEU 3 2HB LEU 3 14.440 8.009 -3.301 19 HB3 LEU 3 1HB LEU 3 12.691 7.901 -3.095 20 HG LEU 3 HG LEU 3 14.000 8.535 -1.005 21 HD11 LEU 3 1HD1 LEU 3 12.626 5.948 -0.446 22 HD12 LEU 3 2HD1 LEU 3 11.691 7.197 -1.270 23 HD13 LEU 3 3HD1 LEU 3 12.402 7.526 0.310 24 HD21 LEU 3 3HD2 LEU 3 15.813 6.785 -1.582 25 HD22 LEU 3 1HD2 LEU 3 14.693 5.596 -0.916 26 HD23 LEU 3 2HD2 LEU 3 15.308 6.897 0.105 27 H ILE 4 H ILE 4 13.355 4.162 -1.559 28 HA ILE 4 HA ILE 4 10.975 2.902 -2.282 29 HB ILE 4 HB ILE 4 12.304 3.531 0.354 30 HG12 ILE 4 2HG1 ILE 4 13.467 1.932 -1.020 31 HG13 ILE 4 1HG1 ILE 4 12.662 1.024 0.260 32 HG21 ILE 4 1HG2 ILE 4 10.760 2.110 1.528 33 HG22 ILE 4 2HG2 ILE 4 9.943 1.656 0.034 34 HG23 ILE 4 3HG2 ILE 4 9.790 3.298 0.660 35 HD11 ILE 4 3HD1 ILE 4 10.711 0.755 -1.405 36 HD12 ILE 4 1HD1 ILE 4 12.169 -0.185 -1.718 37 HD13 ILE 4 2HD1 ILE 4 11.855 1.286 -2.637 38 HA PRO 5 HA PRO 5 7.808 5.915 -1.705 39 HB2 PRO 5 2HB PRO 5 5.698 4.205 -1.346 40 HB3 PRO 5 1HB PRO 5 6.450 4.479 -2.930 41 HG2 PRO 5 2HG PRO 5 6.878 2.250 -0.997 42 HG3 PRO 5 1HG PRO 5 6.694 2.188 -2.758 43 HD2 PRO 5 2HD PRO 5 9.087 2.017 -1.547 44 HD3 PRO 5 1HD PRO 5 8.884 2.795 -3.133 45 H ALA 6 H ALA 6 5.573 5.471 -0.017 46 HA ALA 6 HA ALA 6 6.838 5.385 2.672 47 HB1 ALA 6 1HB ALA 6 6.076 7.540 2.602 48 HB2 ALA 6 2HB ALA 6 4.513 6.804 2.958 49 HB3 ALA 6 3HB ALA 6 4.948 7.188 1.292 50 H ILE 7 H ILE 7 3.861 4.677 0.853 51 HA ILE 7 HA ILE 7 2.359 3.395 2.863 52 HB ILE 7 HB ILE 7 1.254 3.783 0.829 53 HG12 ILE 7 2HG1 ILE 7 0.558 1.647 -0.046 54 HG13 ILE 7 1HG1 ILE 7 2.055 0.881 0.482 55 HG21 ILE 7 1HG2 ILE 7 2.571 4.147 -0.963 56 HG22 ILE 7 2HG2 ILE 7 2.569 2.402 -1.212 57 HG23 ILE 7 3HG2 ILE 7 3.868 3.159 -0.290 58 HD11 ILE 7 3HD1 ILE 7 0.584 0.248 2.173 59 HD12 ILE 7 1HD1 ILE 7 -0.291 1.776 2.122 60 HD13 ILE 7 2HD1 ILE 7 1.304 1.700 2.863 61 H TYR 8 H TYR 8 4.917 2.063 0.793 62 HA TYR 8 HA TYR 8 4.664 -0.670 1.526 63 HB2 TYR 8 2HB TYR 8 6.908 1.117 0.590 64 HB3 TYR 8 1HB TYR 8 7.177 -0.604 0.883 65 HD1 TYR 8 2HD TYR 8 5.080 1.814 -1.028 66 HD2 TYR 8 1HD TYR 8 6.423 -2.246 -0.653 67 HE1 TYR 8 2HE TYR 8 4.031 1.272 -3.199 68 HE2 TYR 8 1HE TYR 8 5.364 -2.792 -2.827 69 HH TYR 8 HH TYR 8 4.718 -1.489 -4.934 70 H ILE 9 H ILE 9 6.224 2.036 3.180 71 HA ILE 9 HA ILE 9 7.624 0.407 5.134 72 HB ILE 9 HB ILE 9 6.707 3.305 5.175 73 HG12 ILE 9 2HG1 ILE 9 9.433 2.237 4.415 74 HG13 ILE 9 1HG1 ILE 9 8.167 2.499 3.216 75 HG21 ILE 9 1HG2 ILE 9 7.685 1.876 7.276 76 HG22 ILE 9 2HG2 ILE 9 7.956 3.605 7.060 77 HG23 ILE 9 3HG2 ILE 9 9.187 2.450 6.550 78 HD11 ILE 9 3HD1 ILE 9 9.947 4.427 4.301 79 HD12 ILE 9 1HD1 ILE 9 8.339 4.812 4.913 80 HD13 ILE 9 2HD1 ILE 9 8.618 4.702 3.175 81 H GLY 10 H GLY 10 6.898 -0.193 7.203 82 HA2 GLY 10 2HA GLY 10 5.310 -0.778 8.833 83 HA3 GLY 10 1HA GLY 10 4.627 0.826 8.552 84 H ALA 11 H ALA 11 4.934 -1.700 6.105 85 HA ALA 11 HA ALA 11 1.934 -1.925 6.085 86 HB1 ALA 11 1HB ALA 11 2.423 -0.574 4.240 87 HB2 ALA 11 2HB ALA 11 2.440 -2.180 3.514 88 HB3 ALA 11 3HB ALA 11 3.958 -1.386 3.930 89 H THR 12 H THR 12 1.763 -3.840 4.036 90 HA THR 12 HA THR 12 3.503 -6.122 4.845 91 HB THR 12 HB THR 12 0.523 -5.853 5.285 92 HG1 THR 12 1HG THR 12 1.136 -5.855 7.281 93 HG21 THR 12 3HG2 THR 12 1.242 -8.443 6.024 94 HG22 THR 12 1HG2 THR 12 2.025 -8.211 4.461 95 HG23 THR 12 2HG2 THR 12 0.282 -7.992 4.614 96 H VAL 13 H VAL 13 4.189 -6.053 2.578 97 HA VAL 13 HA VAL 13 2.161 -6.314 0.460 98 HB VAL 13 HB VAL 13 4.070 -6.159 -0.983 99 HG11 VAL 13 1HG1 VAL 13 3.561 -4.141 0.457 100 HG12 VAL 13 2HG1 VAL 13 5.216 -4.212 -0.146 101 HG13 VAL 13 3HG1 VAL 13 4.865 -4.657 1.524 102 HG21 VAL 13 3HG2 VAL 13 6.398 -6.442 -0.040 103 HG22 VAL 13 1HG2 VAL 13 5.444 -7.925 -0.061 104 HG23 VAL 13 2HG2 VAL 13 5.658 -7.036 1.447 105 H GLY 14 H GLY 14 3.354 -8.186 -1.228 106 HA2 GLY 14 2HA GLY 14 2.898 -10.716 0.293 107 HA3 GLY 14 1HA GLY 14 2.593 -10.519 -1.433 108 HA PRO 15 HA PRO 15 6.778 -12.393 -0.918 109 HB2 PRO 15 2HB PRO 15 6.373 -14.423 -2.709 110 HB3 PRO 15 1HB PRO 15 5.945 -14.551 -0.991 111 HG2 PRO 15 2HG PRO 15 4.202 -14.018 -3.341 112 HG3 PRO 15 1HG PRO 15 3.880 -14.979 -1.890 113 HD2 PRO 15 2HD PRO 15 2.922 -12.447 -2.284 114 HD3 PRO 15 1HD PRO 15 3.202 -13.162 -0.681 115 H SER 16 H SER 16 4.843 -12.067 -3.912 116 HA SER 16 HA SER 16 7.060 -11.750 -5.705 117 HB2 SER 16 2HB SER 16 4.179 -10.805 -5.786 118 HB3 SER 16 1HB SER 16 5.261 -10.799 -7.176 119 HG SER 16 HG SER 16 5.497 -13.072 -6.855 120 H VAL 17 H VAL 17 4.933 -9.313 -4.153 121 HA VAL 17 HA VAL 17 6.248 -7.002 -5.174 122 HB VAL 17 HB VAL 17 4.659 -7.607 -2.667 123 HG11 VAL 17 1HG1 VAL 17 4.386 -4.965 -2.849 124 HG12 VAL 17 2HG1 VAL 17 5.986 -5.085 -3.583 125 HG13 VAL 17 3HG1 VAL 17 5.720 -5.680 -1.944 126 HG21 VAL 17 3HG2 VAL 17 2.812 -6.876 -3.877 127 HG22 VAL 17 1HG2 VAL 17 3.766 -7.612 -5.164 128 HG23 VAL 17 2HG2 VAL 17 3.782 -5.862 -4.944 129 H TRP 18 H TRP 18 6.687 -8.688 -2.040 130 HA TRP 18 HA TRP 18 8.676 -7.137 -0.870 131 HB2 TRP 18 2HB TRP 18 7.631 -9.172 0.080 132 HB3 TRP 18 1HB TRP 18 8.524 -10.163 -1.070 133 HD1 TRP 18 HD TRP 18 11.163 -10.367 -0.753 134 HE1 TRP 18 1HE TRP 18 12.674 -9.986 1.301 135 HE3 TRP 18 3HE TRP 18 7.946 -7.761 2.237 136 HZ2 TRP 18 2HZ TRP 18 12.536 -8.741 3.873 137 HZ3 TRP 18 3HZ TRP 18 8.661 -6.992 4.481 138 HH2 TRP 18 HH TRP 18 10.949 -7.476 5.302 139 H ALA 19 H ALA 19 9.416 -10.017 -2.860 140 HA ALA 19 HA ALA 19 12.141 -9.721 -3.215 141 HB1 ALA 19 1HB ALA 19 9.891 -10.943 -4.576 142 HB2 ALA 19 2HB ALA 19 11.549 -11.528 -4.438 143 HB3 ALA 19 3HB ALA 19 11.109 -10.423 -5.741 144 H TYR 20 H TYR 20 9.602 -8.048 -5.076 145 HA TYR 20 HA TYR 20 11.283 -6.670 -6.914 146 HB2 TYR 20 2HB TYR 20 8.829 -6.856 -7.058 147 HB3 TYR 20 1HB TYR 20 8.662 -5.862 -5.612 148 HD1 TYR 20 1HD TYR 20 10.260 -5.795 -9.005 149 HD2 TYR 20 2HD TYR 20 8.424 -3.552 -5.836 150 HE1 TYR 20 1HE TYR 20 10.370 -3.744 -10.394 151 HE2 TYR 20 2HE TYR 20 8.534 -1.499 -7.224 152 HH TYR 20 HH TYR 20 10.110 -0.727 -9.238 153 H LEU 21 H LEU 21 9.702 -5.182 -4.074 154 HA LEU 21 HA LEU 21 11.031 -2.786 -3.883 155 HB2 LEU 21 2HB LEU 21 9.277 -3.923 -2.368 156 HB3 LEU 21 1HB LEU 21 10.652 -4.599 -1.494 157 HG LEU 21 HG LEU 21 10.260 -1.639 -2.012 158 HD11 LEU 21 1HD1 LEU 21 8.507 -2.472 -0.518 159 HD12 LEU 21 2HD1 LEU 21 9.683 -1.538 0.407 160 HD13 LEU 21 3HD1 LEU 21 9.713 -3.300 0.467 161 HD21 LEU 21 3HD2 LEU 21 12.561 -2.013 -1.659 162 HD22 LEU 21 1HD2 LEU 21 12.266 -3.311 -0.503 163 HD23 LEU 21 2HD2 LEU 21 11.966 -1.635 -0.042 164 H VAL 22 H VAL 22 12.260 -5.872 -2.527 165 HA VAL 22 HA VAL 22 14.674 -5.014 -1.426 166 HB VAL 22 HB VAL 22 14.019 -7.496 -3.042 167 HG11 VAL 22 1HG1 VAL 22 16.537 -6.701 -2.319 168 HG12 VAL 22 2HG1 VAL 22 16.041 -8.385 -2.487 169 HG13 VAL 22 3HG1 VAL 22 16.048 -7.623 -0.897 170 HG21 VAL 22 3HG2 VAL 22 14.234 -7.543 -0.085 171 HG22 VAL 22 1HG2 VAL 22 13.070 -8.343 -1.141 172 HG23 VAL 22 2HG2 VAL 22 12.863 -6.641 -0.729 173 H ALA 23 H ALA 23 14.135 -6.028 -4.807 174 HA ALA 23 HA ALA 23 16.707 -5.574 -5.845 175 HB1 ALA 23 1HB ALA 23 14.750 -4.688 -7.724 176 HB2 ALA 23 2HB ALA 23 14.013 -5.965 -6.757 177 HB3 ALA 23 3HB ALA 23 15.513 -6.275 -7.631 178 H LEU 24 H LEU 24 14.031 -3.241 -5.428 179 HA LEU 24 HA LEU 24 15.288 -0.977 -6.599 180 HB2 LEU 24 2HB LEU 24 12.871 -1.517 -5.649 181 HB3 LEU 24 1HB LEU 24 13.516 -0.770 -4.188 182 HG LEU 24 HG LEU 24 14.260 1.170 -5.689 183 HD11 LEU 24 1HD1 LEU 24 12.171 0.040 -7.559 184 HD12 LEU 24 2HD1 LEU 24 13.894 -0.255 -7.793 185 HD13 LEU 24 3HD1 LEU 24 13.266 1.393 -7.842 186 HD21 LEU 24 3HD2 LEU 24 11.613 1.756 -5.973 187 HD22 LEU 24 1HD2 LEU 24 12.479 1.876 -4.442 188 HD23 LEU 24 2HD2 LEU 24 11.528 0.437 -4.806 189 H VAL 25 H VAL 25 15.340 -2.199 -3.250 190 HA VAL 25 HA VAL 25 17.668 -0.387 -2.721 191 HB VAL 25 HB VAL 25 15.961 0.563 -1.439 192 HG11 VAL 25 1HG1 VAL 25 14.039 -0.658 -1.733 193 HG12 VAL 25 2HG1 VAL 25 14.425 -1.170 -0.090 194 HG13 VAL 25 3HG1 VAL 25 14.848 -2.201 -1.458 195 HG21 VAL 25 3HG2 VAL 25 17.875 -0.891 -0.056 196 HG22 VAL 25 1HG2 VAL 25 16.364 -1.353 0.726 197 HG23 VAL 25 2HG2 VAL 25 16.823 0.348 0.624 198 H GLY 26 H GLY 26 16.322 -2.786 -0.501 199 HA2 GLY 26 2HA GLY 26 17.889 -5.030 -1.145 200 HA3 GLY 26 1HA GLY 26 18.880 -4.022 -0.088 201 H ALA 27 H ALA 27 18.035 -6.567 0.732 202 HA ALA 27 HA ALA 27 15.622 -6.653 2.229 203 HB1 ALA 27 1HB ALA 27 18.091 -8.144 1.880 204 HB2 ALA 27 2HB ALA 27 16.481 -8.745 2.277 205 HB3 ALA 27 3HB ALA 27 17.559 -8.196 3.560 206 H ALA 28 H ALA 28 18.622 -5.003 2.874 207 HA ALA 28 HA ALA 28 18.370 -4.838 5.741 208 HB1 ALA 28 1HB ALA 28 19.893 -3.438 3.557 209 HB2 ALA 28 2HB ALA 28 20.513 -4.442 4.867 210 HB3 ALA 28 3HB ALA 28 19.952 -2.804 5.202 211 H ALA 29 H ALA 29 17.941 -2.276 3.271 212 HA ALA 29 HA ALA 29 16.571 -0.459 5.001 213 HB1 ALA 29 1HB ALA 29 17.506 -0.582 2.363 214 HB2 ALA 29 2HB ALA 29 16.722 0.804 3.118 215 HB3 ALA 29 3HB ALA 29 15.765 -0.353 2.194 216 H VAL 30 H VAL 30 15.515 -3.274 3.217 217 HA VAL 30 HA VAL 30 12.688 -2.712 3.188 218 HB VAL 30 HB VAL 30 14.445 -5.162 2.985 219 HG11 VAL 30 1HG1 VAL 30 11.609 -5.063 3.621 220 HG12 VAL 30 2HG1 VAL 30 12.681 -6.460 3.527 221 HG13 VAL 30 3HG1 VAL 30 11.887 -5.858 2.072 222 HG21 VAL 30 3HG2 VAL 30 12.633 -4.605 0.796 223 HG22 VAL 30 1HG2 VAL 30 14.395 -4.673 0.784 224 HG23 VAL 30 2HG2 VAL 30 13.574 -3.166 1.192 225 H THR 31 H THR 31 14.883 -4.224 5.528 226 HA THR 31 HA THR 31 12.756 -5.170 7.291 227 HB THR 31 HB THR 31 15.704 -4.667 7.819 228 HG1 THR 31 1HG THR 31 14.340 -6.870 6.675 229 HG21 THR 31 3HG2 THR 31 15.286 -6.704 9.336 230 HG22 THR 31 1HG2 THR 31 13.570 -6.355 9.125 231 HG23 THR 31 2HG2 THR 31 14.628 -5.158 9.872 232 H ALA 32 H ALA 32 15.032 -2.411 7.318 233 HA ALA 32 HA ALA 32 14.107 -1.286 9.803 234 HB1 ALA 32 1HB ALA 32 15.792 -0.540 7.471 235 HB2 ALA 32 2HB ALA 32 16.151 -0.434 9.195 236 HB3 ALA 32 3HB ALA 32 15.158 0.803 8.422 237 H ALA 33 H ALA 33 12.808 -1.290 6.591 238 HA ALA 33 HA ALA 33 11.151 1.120 7.010 239 HB1 ALA 33 1HB ALA 33 10.291 -0.160 4.720 240 HB2 ALA 33 2HB ALA 33 11.964 -0.700 4.841 241 HB3 ALA 33 3HB ALA 33 11.597 1.023 4.778 242 H ASN 34 H ASN 34 10.900 -1.479 8.644 243 HA ASN 34 HA ASN 34 9.187 -2.956 9.371 244 HB2 ASN 34 2HB ASN 34 8.686 -0.693 10.275 245 HB3 ASN 34 1HB ASN 34 7.682 -0.370 8.863 246 HD21 ASN 34 1HD2 ASN 34 6.487 -0.318 11.419 247 HD22 ASN 34 2HD2 ASN 34 5.462 -1.658 11.587 248 H ILE 35 H ILE 35 9.430 -4.060 7.125 249 HA ILE 35 HA ILE 35 6.887 -3.769 5.558 250 HB ILE 35 HB ILE 35 9.679 -4.709 4.819 251 HG12 ILE 35 2HG1 ILE 35 7.997 -2.291 4.105 252 HG13 ILE 35 1HG1 ILE 35 9.554 -2.308 4.936 253 HG21 ILE 35 1HG2 ILE 35 7.583 -4.307 2.747 254 HG22 ILE 35 2HG2 ILE 35 7.433 -5.757 3.740 255 HG23 ILE 35 3HG2 ILE 35 8.900 -5.478 2.803 256 HD11 ILE 35 3HD1 ILE 35 10.592 -2.158 2.948 257 HD12 ILE 35 1HD1 ILE 35 9.040 -2.215 2.113 258 HD13 ILE 35 2HD1 ILE 35 9.897 -3.711 2.486 259 H ARG 36 H ARG 36 5.538 -5.536 5.615 260 HA ARG 36 HA ARG 36 6.646 -8.093 6.726 261 HB2 ARG 36 2HB ARG 36 3.821 -6.986 6.738 262 HB3 ARG 36 1HB ARG 36 4.374 -8.432 7.583 263 HG2 ARG 36 2HG ARG 36 6.121 -6.785 8.662 264 HG3 ARG 36 1HG ARG 36 4.953 -5.550 8.192 265 HD2 ARG 36 2HD ARG 36 3.328 -7.476 9.328 266 HD3 ARG 36 1HD ARG 36 4.779 -7.539 10.349 267 HE ARG 36 HE ARG 36 4.257 -4.811 9.912 268 HH11 ARG 36 1HH2 ARG 36 1.495 -6.365 10.168 269 HH12 ARG 36 2HH2 ARG 36 1.122 -5.973 11.814 270 HH21 ARG 36 1HH1 ARG 36 4.307 -4.806 12.535 271 HH22 ARG 36 2HH1 ARG 36 2.715 -5.090 13.155 272 H ARG 37 H ARG 37 6.042 -10.047 5.686 273 HA ARG 37 HA ARG 37 5.118 -9.726 2.872 274 HB2 ARG 37 2HB ARG 37 6.840 -11.556 4.451 275 HB3 ARG 37 1HB ARG 37 5.910 -12.316 3.159 276 HG2 ARG 37 2HG ARG 37 6.932 -11.029 1.488 277 HG3 ARG 37 1HG ARG 37 7.440 -9.781 2.628 278 HD2 ARG 37 2HD ARG 37 9.332 -11.264 1.845 279 HD3 ARG 37 1HD ARG 37 9.101 -11.293 3.605 280 HE ARG 37 HE ARG 37 7.623 -13.364 3.131 281 HH11 ARG 37 1HH1 ARG 37 10.795 -13.370 2.732 282 HH12 ARG 37 2HH1 ARG 37 10.886 -14.493 1.416 283 HH21 ARG 37 1HH2 ARG 37 7.487 -14.382 0.738 284 HH22 ARG 37 2HH2 ARG 37 9.013 -15.066 0.288 285 H ALA 38 H ALA 38 3.352 -10.971 2.083 286 HA ALA 38 HA ALA 38 1.648 -12.263 4.190 287 HB1 ALA 38 1HB ALA 38 0.409 -10.398 3.638 288 HB2 ALA 38 2HB ALA 38 -0.128 -11.451 2.329 289 HB3 ALA 38 3HB ALA 38 1.141 -10.263 2.039 290 H SER 39 H SER 39 0.279 -14.037 3.359 291 HA SER 39 HA SER 39 1.541 -16.036 1.912 292 HB2 SER 39 2HB SER 39 -1.420 -15.433 1.730 293 HB3 SER 39 1HB SER 39 -0.643 -17.012 1.738 294 HG SER 39 HG SER 39 -1.465 -15.524 3.802 295 H SER 40 H SER 40 -0.003 -13.161 0.639 296 HA SER 40 HA SER 40 1.139 -13.623 -2.006 297 HB2 SER 40 2HB SER 40 -1.818 -13.980 -1.458 298 HB3 SER 40 1HB SER 40 -1.183 -13.680 -3.074 299 HG SER 40 HG SER 40 -0.923 -15.910 -1.411 300 H ASP 41 H ASP 41 -0.237 -11.897 -3.549 301 HA ASP 41 HA ASP 41 0.416 -9.301 -2.526 302 HB2 ASP 41 2HB ASP 41 -1.229 -10.369 -4.829 303 HB3 ASP 41 1HB ASP 41 -0.994 -8.638 -4.584 304 H ASN 42 H ASN 42 -2.326 -11.314 -2.027 305 HA ASN 42 HA ASN 42 -4.138 -9.056 -1.376 306 HB2 ASN 42 2HB ASN 42 -5.028 -10.942 -2.610 307 HB3 ASN 42 1HB ASN 42 -4.393 -12.078 -1.420 308 HD21 ASN 42 1HD2 ASN 42 -7.277 -11.004 -2.340 309 HD22 ASN 42 2HD2 ASN 42 -8.075 -10.853 -0.849 310 H HIS 43 H HIS 43 -3.706 -8.163 0.633 311 HA HIS 43 HA HIS 43 -3.667 -10.005 2.966 312 HB2 HIS 43 2HB HIS 43 -1.697 -8.470 3.781 313 HB3 HIS 43 1HB HIS 43 -1.354 -9.781 2.656 314 HD1 HIS 43 1HD HIS 43 -1.380 -6.064 2.941 315 HD2 HIS 43 2HD HIS 43 -0.865 -8.918 -0.053 316 HE1 HIS 43 1HE HIS 43 -0.329 -4.852 0.969 317 H SER 44 H SER 44 -3.410 -8.367 5.018 318 HA SER 44 HA SER 44 -5.720 -6.541 4.788 319 HB2 SER 44 2HB SER 44 -5.032 -6.374 7.342 320 HB3 SER 44 1HB SER 44 -5.800 -7.833 6.729 321 HG SER 44 HG SER 44 -4.059 -8.815 7.353 322 H CYS 45 H CYS 45 -5.446 -4.353 4.487 323 HA CYS 45 HA CYS 45 -2.726 -3.219 5.042 324 HB2 CYS 45 2HB CYS 45 -3.429 -1.562 3.237 325 HB3 CYS 45 1HB CYS 45 -3.181 -3.214 2.696 326 H ALA 46 H ALA 46 -2.980 -0.688 5.254 327 HA ALA 46 HA ALA 46 -3.665 1.018 6.756 328 HB1 ALA 46 1HB ALA 46 -5.389 1.167 5.049 329 HB2 ALA 46 2HB ALA 46 -6.173 1.338 6.619 330 HB3 ALA 46 3HB ALA 46 -6.261 -0.195 5.752 331 H GLY 47 H GLY 47 -3.136 -1.667 7.893 332 HA2 GLY 47 2HA GLY 47 -3.257 -2.558 10.077 333 HA3 GLY 47 1HA GLY 47 -4.382 -1.264 10.500 334 H ASN 48 H ASN 48 -5.882 -2.715 11.502 335 HA ASN 48 HA ASN 48 -7.004 -4.918 9.919 336 HB2 ASN 48 2HB ASN 48 -6.501 -4.662 12.510 337 HB3 ASN 48 1HB ASN 48 -8.106 -3.930 12.526 338 HD21 ASN 48 1HD2 ASN 48 -7.308 -6.570 13.683 339 HD22 ASN 48 2HD2 ASN 48 -8.279 -7.726 12.907 340 H ARG 49 H ARG 49 -7.357 -2.047 9.051 341 HA ARG 49 HA ARG 49 -10.313 -1.761 9.346 342 HB2 ARG 49 2HB ARG 49 -7.990 0.078 8.809 343 HB3 ARG 49 1HB ARG 49 -9.633 0.581 8.413 344 HG2 ARG 49 2HG ARG 49 -9.855 -0.499 10.976 345 HG3 ARG 49 1HG ARG 49 -8.338 0.401 11.018 346 HD2 ARG 49 2HD ARG 49 -9.683 2.314 9.872 347 HD3 ARG 49 1HD ARG 49 -11.116 1.430 10.435 348 HE ARG 49 HE ARG 49 -10.356 1.735 12.724 349 HH11 ARG 49 1HH1 ARG 49 -7.426 1.715 12.393 350 HH12 ARG 49 2HH1 ARG 49 -7.000 3.383 12.581 351 HH21 ARG 49 1HH2 ARG 49 -10.229 4.539 12.066 352 HH22 ARG 49 2HH2 ARG 49 -8.587 4.981 12.396 353 H GLY 50 H GLY 50 -7.697 -2.038 6.963 354 HA2 GLY 50 2HA GLY 50 -9.818 -2.226 4.856 355 HA3 GLY 50 1HA GLY 50 -8.252 -1.480 4.546 356 H TRP 51 H TRP 51 -9.132 -3.591 2.968 357 HA TRP 51 HA TRP 51 -7.170 -5.732 3.704 358 HB2 TRP 51 2HB TRP 51 -10.104 -5.828 3.363 359 HB3 TRP 51 1HB TRP 51 -9.232 -7.073 2.469 360 HD1 TRP 51 HD TRP 51 -10.679 -6.456 5.739 361 HE1 TRP 51 1HE TRP 51 -9.738 -8.077 7.509 362 HE3 TRP 51 3HE TRP 51 -6.646 -8.289 3.199 363 HZ2 TRP 51 2HZ TRP 51 -7.563 -9.910 7.808 364 HZ3 TRP 51 3HZ TRP 51 -5.158 -9.969 4.249 365 HH2 TRP 51 HH TRP 51 -5.610 -10.782 6.548 366 H CYS 52 H CYS 52 -7.000 -7.238 1.580 367 HA CYS 52 HA CYS 52 -6.839 -5.369 -0.765 368 HB2 CYS 52 2HB CYS 52 -4.765 -6.407 0.438 369 HB3 CYS 52 1HB CYS 52 -5.236 -7.895 -0.385 370 H ARG 53 H ARG 53 -8.475 -5.840 -2.174 371 HA ARG 53 HA ARG 53 -9.024 -8.723 -2.800 372 HB2 ARG 53 2HB ARG 53 -11.097 -6.519 -2.773 373 HB3 ARG 53 1HB ARG 53 -11.365 -8.257 -2.756 374 HG2 ARG 53 2HG ARG 53 -11.476 -8.167 -0.516 375 HG3 ARG 53 1HG ARG 53 -9.778 -7.694 -0.489 376 HD2 ARG 53 2HD ARG 53 -10.543 -5.305 -0.897 377 HD3 ARG 53 1HD ARG 53 -12.196 -5.870 -0.587 378 HE ARG 53 HE ARG 53 -10.210 -5.448 1.439 379 HH11 ARG 53 1HH1 ARG 53 -10.377 -8.426 1.513 380 HH12 ARG 53 2HH1 ARG 53 -11.699 -8.696 2.599 381 HH21 ARG 53 1HH2 ARG 53 -12.901 -5.452 2.365 382 HH22 ARG 53 2HH2 ARG 53 -13.128 -7.012 3.081 383 H SER 54 H SER 54 -9.783 -9.028 -5.047 384 HA SER 54 HA SER 54 -8.418 -7.509 -7.015 385 HB2 SER 54 2HB SER 54 -9.325 -9.120 -8.356 386 HB3 SER 54 1HB SER 54 -9.963 -9.800 -6.862 387 HG SER 54 HG SER 54 -11.293 -8.768 -8.915 388 H LYS 55 H LYS 55 -11.860 -7.432 -6.117 389 HA LYS 55 HA LYS 55 -11.964 -4.553 -6.866 390 HB2 LYS 55 2HB LYS 55 -13.003 -5.295 -8.758 391 HB3 LYS 55 1HB LYS 55 -13.228 -6.909 -8.101 392 HG2 LYS 55 2HG LYS 55 -15.131 -6.033 -6.737 393 HG3 LYS 55 1HG LYS 55 -14.965 -4.484 -7.567 394 HD2 LYS 55 2HD LYS 55 -15.391 -5.560 -9.725 395 HD3 LYS 55 1HD LYS 55 -15.478 -7.139 -8.942 396 HE2 LYS 55 2HE LYS 55 -17.628 -6.797 -8.283 397 HE3 LYS 55 1HE LYS 55 -17.268 -5.155 -7.712 398 HZ1 LYS 55 3HZ LYS 55 -17.608 -5.980 -10.548 399 HZ2 LYS 55 1HZ LYS 55 -17.197 -4.419 -10.025 400 HZ3 LYS 55 2HZ LYS 55 -18.718 -5.071 -9.638 401 H CYS 56 H CYS 56 -13.260 -3.378 -5.392 402 HA CYS 56 HA CYS 56 -14.431 -4.957 -3.140 403 HB2 CYS 56 2HB CYS 56 -12.640 -2.992 -3.056 404 HB3 CYS 56 1HB CYS 56 -14.082 -1.979 -3.131 405 H PHE 57 H PHE 57 -16.471 -3.956 -2.183 406 HA PHE 57 HA PHE 57 -18.468 -3.600 -4.287 407 HB2 PHE 57 2HB PHE 57 -18.775 -3.295 -1.290 408 HB3 PHE 57 1HB PHE 57 -19.995 -3.810 -2.452 409 HD1 PHE 57 1HD PHE 57 -18.055 -5.596 -4.088 410 HD2 PHE 57 2HD PHE 57 -18.910 -5.278 0.110 411 HE1 PHE 57 1HE PHE 57 -17.363 -7.955 -3.768 412 HE2 PHE 57 2HE PHE 57 -18.218 -7.639 0.430 413 HZ PHE 57 HZ PHE 57 -17.445 -8.977 -1.509 414 H ARG 58 H ARG 58 -20.060 -1.719 -4.080 415 HA ARG 58 HA ARG 58 -18.730 0.778 -4.336 416 HB2 ARG 58 2HB ARG 58 -21.159 1.620 -4.130 417 HB3 ARG 58 1HB ARG 58 -20.826 0.452 -5.408 418 HG2 ARG 58 2HG ARG 58 -21.428 -1.025 -3.049 419 HG3 ARG 58 1HG ARG 58 -22.664 0.221 -3.218 420 HD2 ARG 58 2HD ARG 58 -22.164 -0.869 -5.819 421 HD3 ARG 58 1HD ARG 58 -22.440 -2.213 -4.693 422 HE ARG 58 HE ARG 58 -24.525 -0.995 -3.966 423 HH11 ARG 58 1HH1 ARG 58 -23.383 1.338 -5.835 424 HH12 ARG 58 2HH1 ARG 58 -24.622 1.325 -7.045 425 HH21 ARG 58 1HH2 ARG 58 -25.970 -1.698 -6.007 426 HH22 ARG 58 2HH2 ARG 58 -26.088 -0.394 -7.141 427 H HIS 59 H HIS 59 -20.427 -0.662 -1.555 428 HA HIS 59 HA HIS 59 -20.537 1.558 0.166 429 HB2 HIS 59 2HB HIS 59 -20.634 -1.332 0.282 430 HB3 HIS 59 1HB HIS 59 -19.774 -0.703 1.688 431 HD1 HIS 59 1HD HIS 59 -21.690 -1.065 3.365 432 HD2 HIS 59 2HD HIS 59 -22.793 1.281 0.101 433 HE1 HIS 59 1HE HIS 59 -23.950 -0.073 3.929 434 H GLU 60 H GLU 60 -17.761 -0.160 -1.019 435 HA GLU 60 HA GLU 60 -16.009 1.360 0.870 436 HB2 GLU 60 2HB GLU 60 -15.428 -1.288 -0.483 437 HB3 GLU 60 1HB GLU 60 -14.595 -0.565 0.881 438 HG2 GLU 60 2HG GLU 60 -17.280 -0.701 1.677 439 HG3 GLU 60 1HG GLU 60 -16.951 -2.241 0.883 440 H TYR 61 H TYR 61 -13.666 1.377 -0.219 441 HA TYR 61 HA TYR 61 -13.929 1.893 -3.153 442 HB2 TYR 61 2HB TYR 61 -12.652 3.973 -2.835 443 HB3 TYR 61 1HB TYR 61 -14.116 4.005 -1.859 444 HD1 TYR 61 1HD TYR 61 -13.862 3.057 0.595 445 HD2 TYR 61 2HD TYR 61 -10.599 4.455 -1.823 446 HE1 TYR 61 1HE TYR 61 -12.500 3.400 2.636 447 HE2 TYR 61 2HE TYR 61 -9.237 4.799 0.220 448 HH TYR 61 HH TYR 61 -10.542 4.033 3.451 449 H VAL 62 H VAL 62 -11.343 2.661 -3.646 450 HA VAL 62 HA VAL 62 -9.786 0.241 -2.804 451 HB VAL 62 HB VAL 62 -9.885 1.952 -5.295 452 HG11 VAL 62 1HG1 VAL 62 -7.582 1.679 -5.188 453 HG12 VAL 62 2HG1 VAL 62 -8.040 0.180 -5.998 454 HG13 VAL 62 3HG1 VAL 62 -7.699 0.179 -4.267 455 HG21 VAL 62 3HG2 VAL 62 -11.497 0.144 -5.221 456 HG22 VAL 62 1HG2 VAL 62 -10.261 -0.997 -4.695 457 HG23 VAL 62 2HG2 VAL 62 -10.207 -0.330 -6.326 458 H ASP 63 H ASP 63 -8.946 1.316 -0.886 459 HA ASP 63 HA ASP 63 -7.841 3.768 -0.446 460 HB2 ASP 63 2HB ASP 63 -7.826 1.691 1.018 461 HB3 ASP 63 1HB ASP 63 -6.382 1.178 0.149 462 H THR 64 H THR 64 -7.047 4.739 -2.395 463 HA THR 64 HA THR 64 -5.133 3.663 -4.182 464 HB THR 64 HB THR 64 -4.602 6.287 -4.292 465 HG1 THR 64 1HG THR 64 -5.595 7.039 -2.547 466 HG21 THR 64 3HG2 THR 64 -6.905 6.482 -5.494 467 HG22 THR 64 1HG2 THR 64 -7.071 4.770 -5.104 468 HG23 THR 64 2HG2 THR 64 -5.730 5.320 -6.109 469 H TYR 65 H TYR 65 -4.712 5.082 -0.994 470 HA TYR 65 HA TYR 65 -1.871 5.567 -1.166 471 HB2 TYR 65 2HB TYR 65 -3.770 6.344 0.487 472 HB3 TYR 65 1HB TYR 65 -3.339 4.877 1.364 473 HD1 TYR 65 2HD TYR 65 -1.684 7.813 -0.295 474 HD2 TYR 65 1HD TYR 65 -1.631 4.993 2.945 475 HE1 TYR 65 2HE TYR 65 0.284 8.965 0.677 476 HE2 TYR 65 1HE TYR 65 0.337 6.146 3.916 477 HH TYR 65 HH TYR 65 1.994 7.647 3.466 478 H TYR 66 H TYR 66 -3.794 2.836 0.114 479 HA TYR 66 HA TYR 66 -1.318 1.307 0.652 480 HB2 TYR 66 2HB TYR 66 -4.242 1.114 1.262 481 HB3 TYR 66 1HB TYR 66 -3.260 -0.349 1.368 482 HD1 TYR 66 1HD TYR 66 -1.426 -0.531 2.982 483 HD2 TYR 66 2HD TYR 66 -3.869 2.996 2.769 484 HE1 TYR 66 1HE TYR 66 -0.539 0.215 5.175 485 HE2 TYR 66 2HE TYR 66 -2.983 3.742 4.962 486 HH TYR 66 HH TYR 66 -0.622 3.185 6.275 487 H SER 67 H SER 67 -3.297 1.793 -2.019 488 HA SER 67 HA SER 67 -3.731 -0.761 -3.144 489 HB2 SER 67 2HB SER 67 -4.199 0.503 -5.005 490 HB3 SER 67 1HB SER 67 -4.015 1.853 -3.890 491 HG SER 67 HG SER 67 -2.151 2.335 -4.778 492 H ALA 68 H ALA 68 -0.781 0.938 -2.496 493 HA ALA 68 HA ALA 68 0.944 -0.376 -4.393 494 HB1 ALA 68 1HB ALA 68 2.224 1.275 -3.549 495 HB2 ALA 68 2HB ALA 68 2.315 0.408 -2.015 496 HB3 ALA 68 3HB ALA 68 1.022 1.573 -2.295 497 H VAL 69 H VAL 69 1.076 -0.779 -0.821 498 HA VAL 69 HA VAL 69 2.489 -3.160 -0.715 499 HB VAL 69 HB VAL 69 1.616 -1.746 1.194 500 HG11 VAL 69 1HG1 VAL 69 -0.634 -2.661 2.097 501 HG12 VAL 69 2HG1 VAL 69 -0.909 -3.175 0.434 502 HG13 VAL 69 3HG1 VAL 69 -0.672 -1.468 0.800 503 HG21 VAL 69 3HG2 VAL 69 2.506 -3.534 2.241 504 HG22 VAL 69 1HG2 VAL 69 1.829 -4.650 1.059 505 HG23 VAL 69 2HG2 VAL 69 0.845 -4.101 2.413 506 H CYS 70 H CYS 70 -0.852 -2.697 -1.670 507 HA CYS 70 HA CYS 70 -1.760 -5.404 -1.513 508 HB2 CYS 70 2HB CYS 70 -2.536 -2.829 -2.634 509 HB3 CYS 70 1HB CYS 70 -3.018 -4.161 -3.685 510 H GLY 71 H GLY 71 -0.679 -3.603 -4.428 511 HA2 GLY 71 2HA GLY 71 0.881 -4.484 -6.058 512 HA3 GLY 71 1HA GLY 71 0.584 -6.103 -5.423 513 H ARG 72 H ARG 72 -0.259 -7.214 -7.149 514 HA ARG 72 HA ARG 72 -1.742 -6.245 -9.316 515 HB2 ARG 72 2HB ARG 72 -1.178 -8.769 -7.976 516 HB3 ARG 72 1HB ARG 72 -2.791 -8.774 -8.689 517 HG2 ARG 72 2HG ARG 72 -1.850 -9.144 -10.700 518 HG3 ARG 72 1HG ARG 72 -1.099 -7.552 -10.595 519 HD2 ARG 72 2HD ARG 72 0.827 -8.542 -9.382 520 HD3 ARG 72 1HD ARG 72 0.081 -10.145 -9.532 521 HE ARG 72 HE ARG 72 1.052 -8.494 -11.822 522 HH11 ARG 72 1HH1 ARG 72 -1.051 -11.021 -11.089 523 HH12 ARG 72 2HH1 ARG 72 -0.373 -12.140 -12.224 524 HH21 ARG 72 1HH2 ARG 72 2.314 -10.103 -13.033 525 HH22 ARG 72 2HH2 ARG 72 1.531 -11.621 -13.324 526 H TYR 73 H TYR 73 -2.838 -6.997 -6.041 527 HA TYR 73 HA TYR 73 -5.679 -6.547 -6.761 528 HB2 TYR 73 2HB TYR 73 -4.172 -7.278 -4.234 529 HB3 TYR 73 1HB TYR 73 -5.920 -7.052 -4.274 530 HD1 TYR 73 2HD TYR 73 -3.260 -8.831 -6.243 531 HD2 TYR 73 1HD TYR 73 -7.224 -8.947 -4.595 532 HE1 TYR 73 2HE TYR 73 -3.539 -11.149 -7.078 533 HE2 TYR 73 1HE TYR 73 -7.504 -11.265 -5.429 534 HH TYR 73 HH TYR 73 -4.820 -13.011 -6.933 535 H PHE 74 H PHE 74 -6.820 -5.120 -4.916 536 HA PHE 74 HA PHE 74 -5.232 -2.588 -4.628 537 HB2 PHE 74 2HB PHE 74 -8.234 -2.738 -4.891 538 HB3 PHE 74 1HB PHE 74 -7.168 -1.379 -5.243 539 HD1 PHE 74 1HD PHE 74 -8.107 -4.804 -6.374 540 HD2 PHE 74 2HD PHE 74 -6.267 -1.063 -7.406 541 HE1 PHE 74 1HE PHE 74 -7.990 -5.518 -8.746 542 HE2 PHE 74 2HE PHE 74 -6.149 -1.776 -9.779 543 HZ PHE 74 HZ PHE 74 -7.009 -4.004 -10.450 544 H CYS 75 H CYS 75 -5.321 -1.631 -2.579 545 HA CYS 75 HA CYS 75 -6.380 -3.251 -0.380 546 HB2 CYS 75 2HB CYS 75 -4.309 -2.125 -0.021 547 HB3 CYS 75 1HB CYS 75 -4.928 -0.614 -0.687 548 H CYS 76 H CYS 76 -8.682 -3.208 -0.503 549 HA CYS 76 HA CYS 76 -10.108 -0.708 -0.978 550 HB2 CYS 76 2HB CYS 76 -11.080 -2.749 -1.711 551 HB3 CYS 76 1HB CYS 76 -10.876 -3.511 -0.142 552 H ARG 77 H ARG 77 -11.669 0.123 0.600 553 HA ARG 77 HA ARG 77 -11.198 -0.455 3.456 554 HB2 ARG 77 2HB ARG 77 -10.131 1.918 1.962 555 HB3 ARG 77 1HB ARG 77 -10.632 2.130 3.640 556 HG2 ARG 77 2HG ARG 77 -9.184 0.071 4.156 557 HG3 ARG 77 1HG ARG 77 -8.495 0.296 2.548 558 HD2 ARG 77 2HD ARG 77 -7.110 1.462 4.223 559 HD3 ARG 77 1HD ARG 77 -7.912 2.657 3.182 560 HE ARG 77 HE ARG 77 -9.660 2.087 5.347 561 HH11 ARG 77 1HH2 ARG 77 -6.867 3.847 4.419 562 HH12 ARG 77 2HH2 ARG 77 -6.814 4.799 5.866 563 HH21 ARG 77 1HH1 ARG 77 -9.486 3.164 7.354 564 HH22 ARG 77 2HH1 ARG 77 -8.297 4.412 7.528 565 H SER 78 H SER 78 -12.494 1.274 4.785 566 HA SER 78 HA SER 78 -15.160 1.529 3.495 567 HB2 SER 78 2HB SER 78 -14.043 1.622 6.294 568 HB3 SER 78 1HB SER 78 -15.682 2.179 5.967 569 HG SER 78 HG SER 78 -16.099 0.124 5.050 570 H ARG 79 H ARG 79 -15.377 3.437 2.363 571 HA ARG 79 HA ARG 79 -13.893 5.837 2.835 572 HB2 ARG 79 2HB ARG 79 -15.341 4.921 0.830 573 HB3 ARG 79 1HB ARG 79 -16.648 5.789 1.635 574 HG2 ARG 79 2HG ARG 79 -15.562 7.876 1.408 575 HG3 ARG 79 1HG ARG 79 -14.003 7.124 1.072 576 HD2 ARG 79 2HD ARG 79 -14.817 6.316 -1.097 577 HD3 ARG 79 1HD ARG 79 -16.427 6.985 -0.759 578 HE ARG 79 HE ARG 79 -14.889 9.183 -0.391 579 HH11 ARG 79 1HH1 ARG 79 -13.489 6.923 -2.368 580 HH12 ARG 79 2HH1 ARG 79 -13.496 7.888 -3.806 581 HH21 ARG 79 1HH2 ARG 79 -15.498 10.373 -2.449 582 HH22 ARG 79 2HH2 ARG 79 -14.633 9.840 -3.853 Start of MODEL 3 1 H1 ASN 1 1HT ASN 1 20.982 6.162 -2.187 2 H2 ASN 1 2HT ASN 1 21.795 7.615 -2.531 3 H3 ASN 1 3HT ASN 1 21.090 6.714 -3.787 4 HA ASN 1 HA ASN 1 19.754 8.357 -1.720 5 HB2 ASN 1 2HB ASN 1 20.004 8.147 -4.711 6 HB3 ASN 1 1HB ASN 1 18.597 8.950 -4.011 7 HD21 ASN 1 1HD2 ASN 1 22.137 9.126 -4.299 8 HD22 ASN 1 2HD2 ASN 1 22.269 10.733 -3.771 9 HA PRO 2 HA PRO 2 17.022 4.765 -1.645 10 HB2 PRO 2 2HB PRO 2 15.645 5.574 0.577 11 HB3 PRO 2 1HB PRO 2 17.223 4.766 0.661 12 HG2 PRO 2 2HG PRO 2 16.560 7.656 0.913 13 HG3 PRO 2 1HG PRO 2 17.757 6.690 1.791 14 HD2 PRO 2 2HD PRO 2 18.384 8.371 -0.268 15 HD3 PRO 2 1HD PRO 2 19.343 6.937 0.163 16 H LEU 3 H LEU 3 15.359 4.837 -3.114 17 HA LEU 3 HA LEU 3 13.594 7.257 -3.151 18 HB2 LEU 3 2HB LEU 3 15.051 6.409 -5.146 19 HB3 LEU 3 1HB LEU 3 13.817 5.158 -5.305 20 HG LEU 3 HG LEU 3 12.775 7.907 -4.988 21 HD11 LEU 3 1HD1 LEU 3 13.897 7.130 -7.676 22 HD12 LEU 3 2HD1 LEU 3 14.882 8.015 -6.513 23 HD13 LEU 3 3HD1 LEU 3 13.382 8.720 -7.114 24 HD21 LEU 3 3HD2 LEU 3 11.758 6.658 -7.279 25 HD22 LEU 3 1HD2 LEU 3 11.010 6.678 -5.682 26 HD23 LEU 3 2HD2 LEU 3 12.052 5.335 -6.151 27 H ILE 4 H ILE 4 13.055 5.351 -1.158 28 HA ILE 4 HA ILE 4 11.043 3.436 -2.102 29 HB ILE 4 HB ILE 4 12.146 4.370 0.552 30 HG12 ILE 4 2HG1 ILE 4 13.541 2.837 -0.719 31 HG13 ILE 4 1HG1 ILE 4 12.840 1.959 0.641 32 HG21 ILE 4 1HG2 ILE 4 10.676 2.943 1.748 33 HG22 ILE 4 2HG2 ILE 4 10.107 2.156 0.280 34 HG23 ILE 4 3HG2 ILE 4 9.619 3.811 0.638 35 HD11 ILE 4 3HD1 ILE 4 12.098 1.818 -2.274 36 HD12 ILE 4 1HD1 ILE 4 10.937 1.352 -1.031 37 HD13 ILE 4 2HD1 ILE 4 12.475 0.500 -1.165 38 HA PRO 5 HA PRO 5 7.615 6.198 -1.823 39 HB2 PRO 5 2HB PRO 5 5.624 4.366 -1.402 40 HB3 PRO 5 1HB PRO 5 6.405 4.585 -2.980 41 HG2 PRO 5 2HG PRO 5 6.889 2.510 -0.903 42 HG3 PRO 5 1HG PRO 5 6.826 2.347 -2.665 43 HD2 PRO 5 2HD PRO 5 9.145 2.434 -1.264 44 HD3 PRO 5 1HD PRO 5 9.000 3.025 -2.935 45 H ALA 6 H ALA 6 5.372 5.712 -0.156 46 HA ALA 6 HA ALA 6 6.585 5.886 2.554 47 HB1 ALA 6 1HB ALA 6 4.414 7.365 1.108 48 HB2 ALA 6 2HB ALA 6 5.723 8.008 2.099 49 HB3 ALA 6 3HB ALA 6 4.331 7.244 2.866 50 H ILE 7 H ILE 7 3.685 4.882 0.744 51 HA ILE 7 HA ILE 7 2.245 3.624 2.807 52 HB ILE 7 HB ILE 7 1.321 3.924 0.607 53 HG12 ILE 7 2HG1 ILE 7 1.726 1.097 1.535 54 HG13 ILE 7 1HG1 ILE 7 0.253 2.058 1.500 55 HG21 ILE 7 1HG2 ILE 7 3.041 1.878 -0.697 56 HG22 ILE 7 2HG2 ILE 7 3.808 3.427 -0.358 57 HG23 ILE 7 3HG2 ILE 7 2.361 3.362 -1.360 58 HD11 ILE 7 3HD1 ILE 7 1.669 0.804 -0.859 59 HD12 ILE 7 1HD1 ILE 7 0.320 1.928 -1.012 60 HD13 ILE 7 2HD1 ILE 7 0.084 0.370 -0.220 61 H TYR 8 H TYR 8 4.707 2.179 0.673 62 HA TYR 8 HA TYR 8 4.751 -0.442 1.582 63 HB2 TYR 8 2HB TYR 8 6.866 1.507 0.676 64 HB3 TYR 8 1HB TYR 8 7.301 -0.152 1.088 65 HD1 TYR 8 2HD TYR 8 5.123 1.919 -1.111 66 HD2 TYR 8 1HD TYR 8 6.793 -1.967 -0.368 67 HE1 TYR 8 2HE TYR 8 4.294 1.145 -3.314 68 HE2 TYR 8 1HE TYR 8 5.964 -2.742 -2.572 69 HH TYR 8 HH TYR 8 4.540 -2.239 -4.281 70 H ILE 9 H ILE 9 6.052 2.441 3.166 71 HA ILE 9 HA ILE 9 7.434 0.997 5.275 72 HB ILE 9 HB ILE 9 6.373 3.836 5.036 73 HG12 ILE 9 2HG1 ILE 9 9.143 2.680 4.584 74 HG13 ILE 9 1HG1 ILE 9 8.031 3.178 3.309 75 HG21 ILE 9 1HG2 ILE 9 8.172 4.277 6.784 76 HG22 ILE 9 2HG2 ILE 9 8.249 2.531 7.020 77 HG23 ILE 9 3HG2 ILE 9 6.755 3.402 7.363 78 HD11 ILE 9 3HD1 ILE 9 8.303 5.428 3.757 79 HD12 ILE 9 1HD1 ILE 9 9.895 4.841 4.239 80 HD13 ILE 9 2HD1 ILE 9 8.662 5.153 5.462 81 H GLY 10 H GLY 10 6.450 -0.042 6.949 82 HA2 GLY 10 2HA GLY 10 4.872 -0.500 8.642 83 HA3 GLY 10 1HA GLY 10 4.122 1.060 8.293 84 H ALA 11 H ALA 11 4.733 -1.313 5.797 85 HA ALA 11 HA ALA 11 1.760 -1.738 5.574 86 HB1 ALA 11 1HB ALA 11 3.698 -0.628 3.808 87 HB2 ALA 11 2HB ALA 11 1.988 -0.919 3.486 88 HB3 ALA 11 3HB ALA 11 3.180 -2.165 3.114 89 H THR 12 H THR 12 1.829 -3.716 3.600 90 HA THR 12 HA THR 12 3.594 -5.908 4.549 91 HB THR 12 HB THR 12 0.596 -5.750 4.923 92 HG1 THR 12 1HG THR 12 1.170 -5.674 6.929 93 HG21 THR 12 3HG2 THR 12 2.344 -8.225 4.927 94 HG22 THR 12 1HG2 THR 12 1.042 -7.868 3.792 95 HG23 THR 12 2HG2 THR 12 0.674 -8.170 5.490 96 H VAL 13 H VAL 13 4.362 -6.198 2.405 97 HA VAL 13 HA VAL 13 2.359 -6.485 0.220 98 HB VAL 13 HB VAL 13 4.333 -6.336 -1.203 99 HG11 VAL 13 1HG1 VAL 13 5.495 -4.307 0.165 100 HG12 VAL 13 2HG1 VAL 13 3.987 -4.452 1.064 101 HG13 VAL 13 3HG1 VAL 13 3.953 -4.144 -0.671 102 HG21 VAL 13 3HG2 VAL 13 6.570 -6.028 0.242 103 HG22 VAL 13 1HG2 VAL 13 6.034 -7.615 -0.311 104 HG23 VAL 13 2HG2 VAL 13 5.698 -7.096 1.341 105 H GLY 14 H GLY 14 2.760 -8.386 -1.313 106 HA2 GLY 14 2HA GLY 14 2.761 -10.866 0.212 107 HA3 GLY 14 1HA GLY 14 2.596 -10.730 -1.540 108 HA PRO 15 HA PRO 15 6.804 -12.368 -0.674 109 HB2 PRO 15 2HB PRO 15 6.659 -14.434 -2.459 110 HB3 PRO 15 1HB PRO 15 6.080 -14.564 -0.787 111 HG2 PRO 15 2HG PRO 15 4.543 -14.177 -3.296 112 HG3 PRO 15 1HG PRO 15 4.123 -15.092 -1.841 113 HD2 PRO 15 2HD PRO 15 3.135 -12.597 -2.455 114 HD3 PRO 15 1HD PRO 15 3.211 -13.276 -0.816 115 H SER 16 H SER 16 5.187 -12.323 -3.876 116 HA SER 16 HA SER 16 7.515 -11.870 -5.452 117 HB2 SER 16 2HB SER 16 5.082 -12.496 -6.069 118 HB3 SER 16 1HB SER 16 4.758 -10.766 -6.016 119 HG SER 16 HG SER 16 5.830 -10.521 -7.816 120 H VAL 17 H VAL 17 5.101 -9.470 -4.299 121 HA VAL 17 HA VAL 17 6.454 -7.149 -5.213 122 HB VAL 17 HB VAL 17 4.645 -7.662 -2.829 123 HG11 VAL 17 1HG1 VAL 17 4.151 -5.182 -3.085 124 HG12 VAL 17 2HG1 VAL 17 5.573 -5.087 -4.123 125 HG13 VAL 17 3HG1 VAL 17 5.745 -5.564 -2.434 126 HG21 VAL 17 3HG2 VAL 17 3.627 -8.230 -4.977 127 HG22 VAL 17 1HG2 VAL 17 4.132 -6.683 -5.657 128 HG23 VAL 17 2HG2 VAL 17 2.916 -6.731 -4.379 129 H TRP 18 H TRP 18 6.650 -8.804 -2.045 130 HA TRP 18 HA TRP 18 8.394 -7.065 -0.696 131 HB2 TRP 18 2HB TRP 18 7.283 -9.116 0.193 132 HB3 TRP 18 1HB TRP 18 8.412 -10.102 -0.736 133 HD1 TRP 18 HD TRP 18 8.773 -7.107 1.693 134 HE1 TRP 18 1HE TRP 18 10.717 -7.615 3.307 135 HE3 TRP 18 3HE TRP 18 10.188 -11.691 -0.053 136 HZ2 TRP 18 2HZ TRP 18 12.622 -9.692 3.793 137 HZ3 TRP 18 3HZ TRP 18 12.069 -12.911 1.003 138 HH2 TRP 18 HH TRP 18 13.287 -11.919 2.921 139 H ALA 19 H ALA 19 9.496 -10.040 -2.337 140 HA ALA 19 HA ALA 19 12.223 -9.617 -2.407 141 HB1 ALA 19 1HB ALA 19 10.511 -10.610 -4.706 142 HB2 ALA 19 2HB ALA 19 10.915 -11.569 -3.281 143 HB3 ALA 19 3HB ALA 19 12.189 -11.048 -4.384 144 H TYR 20 H TYR 20 9.793 -8.068 -4.474 145 HA TYR 20 HA TYR 20 11.592 -6.850 -6.346 146 HB2 TYR 20 2HB TYR 20 9.078 -7.124 -6.477 147 HB3 TYR 20 1HB TYR 20 8.939 -5.811 -5.307 148 HD1 TYR 20 1HD TYR 20 10.523 -6.635 -8.601 149 HD2 TYR 20 2HD TYR 20 8.886 -3.592 -6.049 150 HE1 TYR 20 1HE TYR 20 10.758 -4.975 -10.428 151 HE2 TYR 20 2HE TYR 20 9.122 -1.932 -7.876 152 HH TYR 20 HH TYR 20 9.206 -2.188 -10.591 153 H LEU 21 H LEU 21 9.879 -5.271 -3.616 154 HA LEU 21 HA LEU 21 11.303 -2.852 -3.594 155 HB2 LEU 21 2HB LEU 21 9.266 -3.878 -2.234 156 HB3 LEU 21 1HB LEU 21 10.519 -4.223 -1.045 157 HG LEU 21 HG LEU 21 9.871 -1.506 -2.225 158 HD11 LEU 21 1HD1 LEU 21 8.734 -2.937 -0.072 159 HD12 LEU 21 2HD1 LEU 21 8.515 -1.228 -0.450 160 HD13 LEU 21 3HD1 LEU 21 9.794 -1.729 0.656 161 HD21 LEU 21 3HD2 LEU 21 11.530 -0.987 -0.169 162 HD22 LEU 21 1HD2 LEU 21 12.120 -1.246 -1.810 163 HD23 LEU 21 2HD2 LEU 21 12.163 -2.564 -0.640 164 H VAL 22 H VAL 22 12.282 -6.032 -2.481 165 HA VAL 22 HA VAL 22 14.490 -5.193 -0.817 166 HB VAL 22 HB VAL 22 13.806 -7.738 -2.315 167 HG11 VAL 22 1HG1 VAL 22 15.964 -7.197 -0.254 168 HG12 VAL 22 2HG1 VAL 22 16.208 -7.706 -1.925 169 HG13 VAL 22 3HG1 VAL 22 15.463 -8.809 -0.767 170 HG21 VAL 22 3HG2 VAL 22 12.649 -6.551 -0.083 171 HG22 VAL 22 1HG2 VAL 22 13.768 -7.722 0.614 172 HG23 VAL 22 2HG2 VAL 22 12.525 -8.256 -0.519 173 H ALA 23 H ALA 23 14.337 -6.422 -4.168 174 HA ALA 23 HA ALA 23 17.080 -6.176 -4.811 175 HB1 ALA 23 1HB ALA 23 15.704 -5.549 -7.128 176 HB2 ALA 23 2HB ALA 23 14.475 -6.370 -6.167 177 HB3 ALA 23 3HB ALA 23 15.992 -7.187 -6.541 178 H LEU 24 H LEU 24 14.564 -3.765 -4.487 179 HA LEU 24 HA LEU 24 15.927 -1.627 -5.877 180 HB2 LEU 24 2HB LEU 24 13.414 -2.096 -5.091 181 HB3 LEU 24 1HB LEU 24 13.940 -1.147 -3.701 182 HG LEU 24 HG LEU 24 14.677 0.661 -5.215 183 HD11 LEU 24 1HD1 LEU 24 14.947 0.314 -7.425 184 HD12 LEU 24 2HD1 LEU 24 13.288 -0.259 -7.586 185 HD13 LEU 24 3HD1 LEU 24 14.571 -1.386 -7.145 186 HD21 LEU 24 3HD2 LEU 24 12.203 0.898 -6.310 187 HD22 LEU 24 1HD2 LEU 24 12.541 1.225 -4.610 188 HD23 LEU 24 2HD2 LEU 24 11.884 -0.338 -5.095 189 H VAL 25 H VAL 25 15.441 -2.339 -2.389 190 HA VAL 25 HA VAL 25 17.722 -0.482 -1.797 191 HB VAL 25 HB VAL 25 16.605 0.008 0.239 192 HG11 VAL 25 1HG1 VAL 25 15.285 0.338 -2.149 193 HG12 VAL 25 2HG1 VAL 25 14.779 1.042 -0.612 194 HG13 VAL 25 3HG1 VAL 25 14.069 -0.475 -1.164 195 HG21 VAL 25 3HG2 VAL 25 16.189 -2.328 0.927 196 HG22 VAL 25 1HG2 VAL 25 14.891 -2.448 -0.262 197 HG23 VAL 25 2HG2 VAL 25 14.732 -1.353 1.110 198 H GLY 26 H GLY 26 16.240 -3.576 -0.850 199 HA2 GLY 26 2HA GLY 26 17.980 -5.471 -0.726 200 HA3 GLY 26 1HA GLY 26 18.843 -4.385 0.370 201 H ALA 27 H ALA 27 18.068 -6.838 1.389 202 HA ALA 27 HA ALA 27 15.456 -6.839 2.572 203 HB1 ALA 27 1HB ALA 27 17.135 -8.747 2.181 204 HB2 ALA 27 2HB ALA 27 16.277 -8.765 3.722 205 HB3 ALA 27 3HB ALA 27 17.942 -8.186 3.645 206 H ALA 28 H ALA 28 18.497 -5.371 3.519 207 HA ALA 28 HA ALA 28 17.873 -4.960 6.292 208 HB1 ALA 28 1HB ALA 28 19.678 -3.153 5.963 209 HB2 ALA 28 2HB ALA 28 19.713 -3.661 4.275 210 HB3 ALA 28 3HB ALA 28 20.138 -4.804 5.548 211 H ALA 29 H ALA 29 17.746 -2.694 3.512 212 HA ALA 29 HA ALA 29 16.438 -0.585 4.941 213 HB1 ALA 29 1HB ALA 29 15.724 -0.307 2.290 214 HB2 ALA 29 2HB ALA 29 17.153 -1.335 2.186 215 HB3 ALA 29 3HB ALA 29 17.253 0.237 2.979 216 H VAL 30 H VAL 30 15.185 -3.264 2.963 217 HA VAL 30 HA VAL 30 12.415 -2.480 3.094 218 HB VAL 30 HB VAL 30 13.880 -5.088 2.611 219 HG11 VAL 30 1HG1 VAL 30 10.931 -4.428 2.426 220 HG12 VAL 30 2HG1 VAL 30 11.689 -5.718 3.360 221 HG13 VAL 30 3HG1 VAL 30 11.659 -5.805 1.599 222 HG21 VAL 30 3HG2 VAL 30 12.543 -4.247 0.315 223 HG22 VAL 30 1HG2 VAL 30 14.266 -4.049 0.637 224 HG23 VAL 30 2HG2 VAL 30 13.142 -2.747 1.022 225 H THR 31 H THR 31 14.545 -4.195 5.302 226 HA THR 31 HA THR 31 12.314 -5.260 6.914 227 HB THR 31 HB THR 31 15.334 -5.199 7.203 228 HG1 THR 31 1HG THR 31 13.519 -7.294 6.609 229 HG21 THR 31 3HG2 THR 31 14.579 -5.393 9.425 230 HG22 THR 31 1HG2 THR 31 14.780 -7.068 8.913 231 HG23 THR 31 2HG2 THR 31 13.171 -6.346 8.958 232 H ALA 32 H ALA 32 14.352 -2.432 6.822 233 HA ALA 32 HA ALA 32 13.778 -1.673 9.617 234 HB1 ALA 32 1HB ALA 32 15.721 -0.586 9.247 235 HB2 ALA 32 2HB ALA 32 14.918 0.429 8.050 236 HB3 ALA 32 3HB ALA 32 15.679 -1.084 7.557 237 H ALA 33 H ALA 33 12.433 -1.171 6.455 238 HA ALA 33 HA ALA 33 11.003 1.300 7.189 239 HB1 ALA 33 1HB ALA 33 11.806 -0.103 4.846 240 HB2 ALA 33 2HB ALA 33 11.022 1.473 4.939 241 HB3 ALA 33 3HB ALA 33 10.047 0.010 4.804 242 H ASN 34 H ASN 34 10.571 -1.563 8.430 243 HA ASN 34 HA ASN 34 8.727 -2.775 9.262 244 HB2 ASN 34 2HB ASN 34 8.297 -0.431 10.035 245 HB3 ASN 34 1HB ASN 34 7.329 -0.171 8.585 246 HD21 ASN 34 1HD2 ASN 34 6.175 -0.006 11.215 247 HD22 ASN 34 2HD2 ASN 34 5.079 -1.290 11.392 248 H ILE 35 H ILE 35 9.088 -3.882 6.986 249 HA ILE 35 HA ILE 35 6.538 -3.657 5.415 250 HB ILE 35 HB ILE 35 9.346 -4.445 4.563 251 HG12 ILE 35 2HG1 ILE 35 7.664 -1.994 3.937 252 HG13 ILE 35 1HG1 ILE 35 9.068 -2.026 5.005 253 HG21 ILE 35 1HG2 ILE 35 6.925 -3.974 2.810 254 HG22 ILE 35 2HG2 ILE 35 7.382 -5.578 3.384 255 HG23 ILE 35 3HG2 ILE 35 8.478 -4.667 2.346 256 HD11 ILE 35 3HD1 ILE 35 9.602 -1.224 2.688 257 HD12 ILE 35 1HD1 ILE 35 9.142 -2.813 2.078 258 HD13 ILE 35 2HD1 ILE 35 10.522 -2.652 3.163 259 H ARG 36 H ARG 36 5.302 -5.393 6.084 260 HA ARG 36 HA ARG 36 6.609 -7.930 6.867 261 HB2 ARG 36 2HB ARG 36 3.680 -7.154 6.774 262 HB3 ARG 36 1HB ARG 36 4.400 -8.468 7.704 263 HG2 ARG 36 2HG ARG 36 5.848 -6.182 8.446 264 HG3 ARG 36 1HG ARG 36 4.164 -5.659 8.394 265 HD2 ARG 36 2HD ARG 36 3.488 -7.337 9.963 266 HD3 ARG 36 1HD ARG 36 5.037 -8.191 9.816 267 HE ARG 36 HE ARG 36 5.369 -5.414 10.628 268 HH11 ARG 36 1HH2 ARG 36 6.912 -7.956 11.477 269 HH12 ARG 36 2HH2 ARG 36 6.514 -8.013 13.161 270 HH21 ARG 36 1HH1 ARG 36 3.889 -5.765 12.891 271 HH22 ARG 36 2HH1 ARG 36 4.804 -6.773 13.962 272 H ARG 37 H ARG 37 6.098 -9.940 5.844 273 HA ARG 37 HA ARG 37 5.428 -9.695 2.960 274 HB2 ARG 37 2HB ARG 37 7.011 -11.408 4.735 275 HB3 ARG 37 1HB ARG 37 6.059 -12.336 3.575 276 HG2 ARG 37 2HG ARG 37 6.981 -10.987 1.729 277 HG3 ARG 37 1HG ARG 37 7.931 -10.052 2.885 278 HD2 ARG 37 2HD ARG 37 9.564 -11.615 2.783 279 HD3 ARG 37 1HD ARG 37 8.422 -12.834 3.381 280 HE ARG 37 HE ARG 37 8.238 -12.113 0.511 281 HH11 ARG 37 1HH1 ARG 37 7.580 -14.561 2.569 282 HH12 ARG 37 2HH1 ARG 37 8.428 -15.804 1.711 283 HH21 ARG 37 1HH2 ARG 37 10.037 -13.602 -0.429 284 HH22 ARG 37 2HH2 ARG 37 9.818 -15.262 0.015 285 H ALA 38 H ALA 38 3.810 -11.163 2.028 286 HA ALA 38 HA ALA 38 1.837 -12.226 4.021 287 HB1 ALA 38 1HB ALA 38 0.599 -11.265 1.596 288 HB2 ALA 38 2HB ALA 38 1.616 -9.999 2.284 289 HB3 ALA 38 3HB ALA 38 0.336 -10.726 3.255 290 H SER 39 H SER 39 0.388 -13.899 3.033 291 HA SER 39 HA SER 39 1.755 -15.984 1.735 292 HB2 SER 39 2HB SER 39 -0.470 -16.926 1.460 293 HB3 SER 39 1HB SER 39 -0.429 -16.041 2.984 294 HG SER 39 HG SER 39 -2.032 -15.676 0.903 295 H SER 40 H SER 40 0.023 -13.241 0.341 296 HA SER 40 HA SER 40 1.321 -13.665 -2.250 297 HB2 SER 40 2HB SER 40 -1.691 -13.839 -2.167 298 HB3 SER 40 1HB SER 40 -0.605 -14.308 -3.472 299 HG SER 40 HG SER 40 -1.567 -15.827 -1.567 300 H ASP 41 H ASP 41 0.148 -12.028 -3.893 301 HA ASP 41 HA ASP 41 0.529 -9.396 -3.037 302 HB2 ASP 41 2HB ASP 41 -1.288 -10.636 -5.121 303 HB3 ASP 41 1HB ASP 41 -1.019 -8.896 -5.010 304 H ASN 42 H ASN 42 -2.207 -11.490 -2.467 305 HA ASN 42 HA ASN 42 -3.995 -9.285 -1.663 306 HB2 ASN 42 2HB ASN 42 -4.958 -11.167 -2.796 307 HB3 ASN 42 1HB ASN 42 -4.142 -12.309 -1.729 308 HD21 ASN 42 1HD2 ASN 42 -4.909 -12.383 0.570 309 HD22 ASN 42 2HD2 ASN 42 -6.489 -11.889 0.941 310 H HIS 43 H HIS 43 -3.500 -8.354 0.308 311 HA HIS 43 HA HIS 43 -3.314 -10.138 2.668 312 HB2 HIS 43 2HB HIS 43 -1.273 -8.635 3.341 313 HB3 HIS 43 1HB HIS 43 -1.024 -9.970 2.220 314 HD1 HIS 43 1HD HIS 43 -1.241 -6.204 2.339 315 HD2 HIS 43 2HD HIS 43 -0.370 -9.207 -0.415 316 HE1 HIS 43 1HE HIS 43 -0.198 -5.050 0.326 317 H SER 44 H SER 44 -3.078 -8.601 4.703 318 HA SER 44 HA SER 44 -5.299 -6.691 4.563 319 HB2 SER 44 2HB SER 44 -4.574 -6.485 7.048 320 HB3 SER 44 1HB SER 44 -5.173 -8.048 6.504 321 HG SER 44 HG SER 44 -3.297 -8.831 6.993 322 H CYS 45 H CYS 45 -5.044 -4.495 4.289 323 HA CYS 45 HA CYS 45 -2.281 -3.379 4.630 324 HB2 CYS 45 2HB CYS 45 -3.124 -1.752 2.806 325 HB3 CYS 45 1HB CYS 45 -2.743 -3.393 2.315 326 H ALA 46 H ALA 46 -2.434 -0.884 4.873 327 HA ALA 46 HA ALA 46 -3.060 0.857 6.365 328 HB1 ALA 46 1HB ALA 46 -5.909 0.348 6.178 329 HB2 ALA 46 2HB ALA 46 -5.144 0.110 4.607 330 HB3 ALA 46 3HB ALA 46 -4.973 1.651 5.447 331 H GLY 47 H GLY 47 -2.500 -1.680 7.600 332 HA2 GLY 47 2HA GLY 47 -2.710 -2.647 9.733 333 HA3 GLY 47 1HA GLY 47 -3.767 -1.300 10.167 334 H ASN 48 H ASN 48 -5.331 -2.676 11.176 335 HA ASN 48 HA ASN 48 -6.571 -4.821 9.603 336 HB2 ASN 48 2HB ASN 48 -6.048 -4.686 12.158 337 HB3 ASN 48 1HB ASN 48 -7.525 -3.724 12.241 338 HD21 ASN 48 1HD2 ASN 48 -7.097 -6.468 13.346 339 HD22 ASN 48 2HD2 ASN 48 -8.251 -7.457 12.591 340 H ARG 49 H ARG 49 -6.766 -1.828 8.888 341 HA ARG 49 HA ARG 49 -9.690 -1.394 9.157 342 HB2 ARG 49 2HB ARG 49 -7.468 0.383 8.114 343 HB3 ARG 49 1HB ARG 49 -9.094 0.887 8.563 344 HG2 ARG 49 2HG ARG 49 -8.699 0.286 10.885 345 HG3 ARG 49 1HG ARG 49 -7.119 -0.384 10.476 346 HD2 ARG 49 2HD ARG 49 -6.591 1.993 9.546 347 HD3 ARG 49 1HD ARG 49 -7.977 2.509 10.529 348 HE ARG 49 HE ARG 49 -6.753 1.941 12.495 349 HH11 ARG 49 1HH1 ARG 49 -4.376 2.884 10.890 350 HH12 ARG 49 2HH1 ARG 49 -3.266 1.572 11.103 351 HH21 ARG 49 1HH2 ARG 49 -5.687 -0.642 12.227 352 HH22 ARG 49 2HH2 ARG 49 -4.008 -0.425 11.860 353 H GLY 50 H GLY 50 -7.157 -1.829 6.689 354 HA2 GLY 50 2HA GLY 50 -9.361 -1.978 4.665 355 HA3 GLY 50 1HA GLY 50 -7.781 -1.295 4.286 356 H TRP 51 H TRP 51 -8.739 -3.377 2.751 357 HA TRP 51 HA TRP 51 -6.844 -5.576 3.475 358 HB2 TRP 51 2HB TRP 51 -9.781 -5.585 3.305 359 HB3 TRP 51 1HB TRP 51 -9.022 -6.857 2.350 360 HD1 TRP 51 HD TRP 51 -10.122 -6.108 5.759 361 HE1 TRP 51 1HE TRP 51 -9.151 -7.804 7.439 362 HE3 TRP 51 3HE TRP 51 -6.558 -8.306 2.837 363 HZ2 TRP 51 2HZ TRP 51 -7.130 -9.825 7.533 364 HZ3 TRP 51 3HZ TRP 51 -5.126 -10.109 3.745 365 HH2 TRP 51 HH TRP 51 -5.406 -10.873 6.086 366 H CYS 52 H CYS 52 -6.574 -7.064 1.460 367 HA CYS 52 HA CYS 52 -6.481 -5.328 -0.975 368 HB2 CYS 52 2HB CYS 52 -4.467 -6.510 0.221 369 HB3 CYS 52 1HB CYS 52 -5.068 -7.955 -0.595 370 H ARG 53 H ARG 53 -8.317 -5.715 -2.206 371 HA ARG 53 HA ARG 53 -8.990 -8.584 -2.787 372 HB2 ARG 53 2HB ARG 53 -10.994 -6.323 -2.642 373 HB3 ARG 53 1HB ARG 53 -11.306 -8.053 -2.590 374 HG2 ARG 53 2HG ARG 53 -11.123 -8.069 -0.351 375 HG3 ARG 53 1HG ARG 53 -9.533 -7.312 -0.432 376 HD2 ARG 53 2HD ARG 53 -10.692 -5.090 -0.765 377 HD3 ARG 53 1HD ARG 53 -12.224 -5.913 -0.415 378 HE ARG 53 HE ARG 53 -10.285 -5.177 1.561 379 HH11 ARG 53 1HH1 ARG 53 -10.134 -8.243 1.342 380 HH12 ARG 53 2HH1 ARG 53 -11.260 -8.707 2.575 381 HH21 ARG 53 1HH2 ARG 53 -12.686 -5.556 2.826 382 HH22 ARG 53 2HH2 ARG 53 -12.704 -7.184 3.416 383 H SER 54 H SER 54 -9.930 -8.889 -4.952 384 HA SER 54 HA SER 54 -8.702 -7.324 -7.022 385 HB2 SER 54 2HB SER 54 -9.566 -9.001 -8.329 386 HB3 SER 54 1HB SER 54 -9.928 -9.758 -6.779 387 HG SER 54 HG SER 54 -11.815 -9.688 -7.945 388 H LYS 55 H LYS 55 -12.094 -7.558 -5.967 389 HA LYS 55 HA LYS 55 -12.530 -4.763 -6.938 390 HB2 LYS 55 2HB LYS 55 -13.827 -5.802 -8.502 391 HB3 LYS 55 1HB LYS 55 -13.756 -7.338 -7.649 392 HG2 LYS 55 2HG LYS 55 -15.499 -6.518 -6.078 393 HG3 LYS 55 1HG LYS 55 -15.613 -5.025 -7.012 394 HD2 LYS 55 2HD LYS 55 -16.741 -6.027 -8.728 395 HD3 LYS 55 1HD LYS 55 -15.835 -7.533 -8.577 396 HE2 LYS 55 2HE LYS 55 -17.240 -8.365 -6.894 397 HE3 LYS 55 1HE LYS 55 -17.801 -6.746 -6.430 398 HZ1 LYS 55 3HZ LYS 55 -19.225 -8.301 -8.006 399 HZ2 LYS 55 1HZ LYS 55 -18.242 -7.591 -9.192 400 HZ3 LYS 55 2HZ LYS 55 -19.205 -6.612 -8.192 401 H CYS 56 H CYS 56 -14.699 -3.940 -5.807 402 HA CYS 56 HA CYS 56 -15.086 -5.152 -3.125 403 HB2 CYS 56 2HB CYS 56 -13.891 -2.444 -3.726 404 HB3 CYS 56 1HB CYS 56 -14.636 -2.801 -2.167 405 H PHE 57 H PHE 57 -16.846 -3.892 -1.914 406 HA PHE 57 HA PHE 57 -19.104 -3.452 -3.730 407 HB2 PHE 57 2HB PHE 57 -18.663 -3.457 -0.736 408 HB3 PHE 57 1HB PHE 57 -20.237 -3.110 -1.451 409 HD1 PHE 57 2HD PHE 57 -17.464 -5.629 -1.809 410 HD2 PHE 57 1HD PHE 57 -21.697 -4.898 -1.736 411 HE1 PHE 57 2HE PHE 57 -17.887 -8.056 -2.071 412 HE2 PHE 57 1HE PHE 57 -22.119 -7.328 -1.997 413 HZ PHE 57 HZ PHE 57 -20.214 -8.906 -2.164 414 H ARG 58 H ARG 58 -20.590 -1.468 -2.815 415 HA ARG 58 HA ARG 58 -19.111 0.938 -3.508 416 HB2 ARG 58 2HB ARG 58 -21.558 0.159 -4.041 417 HB3 ARG 58 1HB ARG 58 -21.924 0.847 -2.459 418 HG2 ARG 58 2HG ARG 58 -20.318 2.773 -3.690 419 HG3 ARG 58 1HG ARG 58 -21.386 2.209 -4.975 420 HD2 ARG 58 2HD ARG 58 -23.021 2.459 -2.678 421 HD3 ARG 58 1HD ARG 58 -22.027 3.928 -2.744 422 HE ARG 58 HE ARG 58 -23.842 2.985 -4.910 423 HH11 ARG 58 1HH2 ARG 58 -21.232 4.352 -5.777 424 HH12 ARG 58 2HH2 ARG 58 -21.771 5.988 -5.959 425 HH21 ARG 58 1HH1 ARG 58 -24.718 5.493 -4.199 426 HH22 ARG 58 2HH1 ARG 58 -23.745 6.635 -5.065 427 H HIS 59 H HIS 59 -20.858 -0.201 -0.603 428 HA HIS 59 HA HIS 59 -20.532 1.985 1.093 429 HB2 HIS 59 2HB HIS 59 -21.353 -0.603 1.316 430 HB3 HIS 59 1HB HIS 59 -19.840 -0.676 2.220 431 HD1 HIS 59 1HD HIS 59 -19.839 2.111 3.512 432 HD2 HIS 59 2HD HIS 59 -23.203 -0.348 3.383 433 HE1 HIS 59 1HE HIS 59 -21.357 2.875 5.389 434 H GLU 60 H GLU 60 -18.092 -0.132 -0.216 435 HA GLU 60 HA GLU 60 -16.005 1.217 1.458 436 HB2 GLU 60 2HB GLU 60 -16.214 -1.525 0.178 437 HB3 GLU 60 1HB GLU 60 -14.748 -0.917 0.937 438 HG2 GLU 60 2HG GLU 60 -16.800 -0.427 2.795 439 HG3 GLU 60 1HG GLU 60 -17.101 -2.052 2.179 440 H TYR 61 H TYR 61 -13.810 1.142 0.146 441 HA TYR 61 HA TYR 61 -14.311 1.552 -2.769 442 HB2 TYR 61 2HB TYR 61 -13.121 3.682 -2.671 443 HB3 TYR 61 1HB TYR 61 -14.460 3.712 -1.533 444 HD1 TYR 61 2HD TYR 61 -13.866 2.845 0.915 445 HD2 TYR 61 1HD TYR 61 -11.008 4.332 -1.930 446 HE1 TYR 61 2HE TYR 61 -12.285 3.341 2.760 447 HE2 TYR 61 1HE TYR 61 -9.431 4.829 -0.083 448 HH TYR 61 HH TYR 61 -9.094 3.853 2.358 449 H VAL 62 H VAL 62 -11.825 2.353 -3.524 450 HA VAL 62 HA VAL 62 -10.109 0.026 -2.732 451 HB VAL 62 HB VAL 62 -10.418 1.682 -5.249 452 HG11 VAL 62 1HG1 VAL 62 -8.148 1.329 -5.399 453 HG12 VAL 62 2HG1 VAL 62 -8.695 -0.235 -6.002 454 HG13 VAL 62 3HG1 VAL 62 -8.187 -0.067 -4.322 455 HG21 VAL 62 3HG2 VAL 62 -10.972 -0.537 -6.221 456 HG22 VAL 62 1HG2 VAL 62 -12.069 -0.107 -4.909 457 HG23 VAL 62 2HG2 VAL 62 -10.772 -1.269 -4.629 458 H ASP 63 H ASP 63 -9.111 1.176 -0.931 459 HA ASP 63 HA ASP 63 -8.080 3.713 -0.727 460 HB2 ASP 63 2HB ASP 63 -7.889 1.582 0.779 461 HB3 ASP 63 1HB ASP 63 -6.356 1.335 -0.055 462 H THR 64 H THR 64 -7.470 4.526 -2.829 463 HA THR 64 HA THR 64 -5.623 3.372 -4.631 464 HB THR 64 HB THR 64 -5.157 6.013 -4.917 465 HG1 THR 64 1HG THR 64 -7.287 6.926 -4.208 466 HG21 THR 64 3HG2 THR 64 -7.616 5.970 -5.980 467 HG22 THR 64 1HG2 THR 64 -7.430 4.243 -5.673 468 HG23 THR 64 2HG2 THR 64 -6.271 5.086 -6.701 469 H TYR 65 H TYR 65 -5.115 4.922 -1.551 470 HA TYR 65 HA TYR 65 -2.322 5.560 -1.828 471 HB2 TYR 65 2HB TYR 65 -4.096 6.331 -0.126 472 HB3 TYR 65 1HB TYR 65 -3.786 4.809 0.707 473 HD1 TYR 65 2HD TYR 65 -1.761 7.526 -0.923 474 HD2 TYR 65 1HD TYR 65 -2.253 4.910 2.448 475 HE1 TYR 65 2HE TYR 65 0.257 8.506 0.133 476 HE2 TYR 65 1HE TYR 65 -0.234 5.890 3.504 477 HH TYR 65 HH TYR 65 1.393 8.686 2.108 478 H TYR 66 H TYR 66 -3.953 2.796 -0.210 479 HA TYR 66 HA TYR 66 -1.407 1.417 0.192 480 HB2 TYR 66 2HB TYR 66 -4.285 1.044 0.835 481 HB3 TYR 66 1HB TYR 66 -3.268 -0.398 0.825 482 HD1 TYR 66 2HD TYR 66 -0.951 -0.173 2.060 483 HD2 TYR 66 1HD TYR 66 -4.337 2.374 2.762 484 HE1 TYR 66 2HE TYR 66 -0.014 0.465 4.265 485 HE2 TYR 66 1HE TYR 66 -3.400 3.013 4.967 486 HH TYR 66 HH TYR 66 -1.809 2.594 6.478 487 H SER 67 H SER 67 -3.428 1.721 -2.485 488 HA SER 67 HA SER 67 -3.696 -0.824 -3.626 489 HB2 SER 67 2HB SER 67 -3.843 0.377 -5.679 490 HB3 SER 67 1HB SER 67 -4.346 1.534 -4.449 491 HG SER 67 HG SER 67 -2.376 1.762 -6.180 492 H ALA 68 H ALA 68 -0.764 0.967 -2.980 493 HA ALA 68 HA ALA 68 0.984 -0.283 -4.886 494 HB1 ALA 68 1HB ALA 68 1.075 1.540 -2.668 495 HB2 ALA 68 2HB ALA 68 2.243 1.341 -3.972 496 HB3 ALA 68 3HB ALA 68 2.384 0.370 -2.507 497 H VAL 69 H VAL 69 1.026 -0.881 -1.347 498 HA VAL 69 HA VAL 69 2.451 -3.279 -1.376 499 HB VAL 69 HB VAL 69 1.650 -1.866 0.583 500 HG11 VAL 69 1HG1 VAL 69 -0.523 -1.700 1.068 501 HG12 VAL 69 2HG1 VAL 69 -0.686 -3.454 1.121 502 HG13 VAL 69 3HG1 VAL 69 -0.873 -2.596 -0.408 503 HG21 VAL 69 3HG2 VAL 69 2.477 -3.592 1.735 504 HG22 VAL 69 1HG2 VAL 69 2.094 -4.682 0.404 505 HG23 VAL 69 2HG2 VAL 69 0.898 -4.369 1.662 506 H CYS 70 H CYS 70 -0.883 -2.694 -2.275 507 HA CYS 70 HA CYS 70 -1.813 -5.424 -2.168 508 HB2 CYS 70 2HB CYS 70 -2.671 -2.786 -3.056 509 HB3 CYS 70 1HB CYS 70 -3.209 -4.044 -4.168 510 H GLY 71 H GLY 71 -0.446 -3.435 -4.812 511 HA2 GLY 71 2HA GLY 71 0.781 -4.171 -6.696 512 HA3 GLY 71 1HA GLY 71 0.614 -5.828 -6.114 513 H ARG 72 H ARG 72 -0.494 -7.040 -7.566 514 HA ARG 72 HA ARG 72 -2.046 -6.086 -9.724 515 HB2 ARG 72 2HB ARG 72 -1.538 -8.608 -8.281 516 HB3 ARG 72 1HB ARG 72 -3.077 -8.574 -9.144 517 HG2 ARG 72 2HG ARG 72 -0.653 -7.560 -10.572 518 HG3 ARG 72 1HG ARG 72 -0.823 -9.304 -10.369 519 HD2 ARG 72 2HD ARG 72 -3.364 -8.567 -11.169 520 HD3 ARG 72 1HD ARG 72 -2.327 -7.488 -12.124 521 HE ARG 72 HE ARG 72 -1.442 -10.296 -12.008 522 HH11 ARG 72 1HH2 ARG 72 -4.175 -9.977 -13.378 523 HH12 ARG 72 2HH2 ARG 72 -3.688 -9.817 -15.033 524 HH21 ARG 72 1HH1 ARG 72 -0.370 -9.160 -14.270 525 HH22 ARG 72 2HH1 ARG 72 -1.534 -9.355 -15.537 526 H TYR 73 H TYR 73 -3.086 -7.113 -6.468 527 HA TYR 73 HA TYR 73 -5.912 -6.550 -7.017 528 HB2 TYR 73 2HB TYR 73 -4.259 -7.268 -4.582 529 HB3 TYR 73 1HB TYR 73 -6.003 -7.017 -4.501 530 HD1 TYR 73 2HD TYR 73 -7.555 -8.551 -5.612 531 HD2 TYR 73 1HD TYR 73 -3.311 -9.186 -5.747 532 HE1 TYR 73 2HE TYR 73 -7.929 -10.869 -6.408 533 HE2 TYR 73 1HE TYR 73 -3.683 -11.505 -6.542 534 HH TYR 73 HH TYR 73 -5.252 -13.142 -6.764 535 H PHE 74 H PHE 74 -6.964 -5.113 -5.115 536 HA PHE 74 HA PHE 74 -5.366 -2.580 -4.903 537 HB2 PHE 74 2HB PHE 74 -8.363 -2.583 -5.037 538 HB3 PHE 74 1HB PHE 74 -7.227 -1.355 -5.588 539 HD1 PHE 74 2HD PHE 74 -5.384 -2.739 -7.316 540 HD2 PHE 74 1HD PHE 74 -9.609 -3.336 -6.840 541 HE1 PHE 74 2HE PHE 74 -5.513 -3.672 -9.613 542 HE2 PHE 74 1HE PHE 74 -9.742 -4.269 -9.134 543 HZ PHE 74 HZ PHE 74 -7.691 -4.437 -10.522 544 H CYS 75 H CYS 75 -5.372 -1.652 -2.850 545 HA CYS 75 HA CYS 75 -6.451 -3.262 -0.653 546 HB2 CYS 75 2HB CYS 75 -4.279 -2.229 -0.434 547 HB3 CYS 75 1HB CYS 75 -4.933 -0.649 -0.868 548 H CYS 76 H CYS 76 -8.738 -3.076 -0.587 549 HA CYS 76 HA CYS 76 -10.044 -0.484 -0.958 550 HB2 CYS 76 2HB CYS 76 -10.935 -3.233 -0.061 551 HB3 CYS 76 1HB CYS 76 -12.046 -1.877 -0.217 552 H ARG 77 H ARG 77 -11.674 0.140 0.860 553 HA ARG 77 HA ARG 77 -10.780 -0.407 3.608 554 HB2 ARG 77 2HB ARG 77 -10.016 1.980 2.009 555 HB3 ARG 77 1HB ARG 77 -10.524 2.294 3.668 556 HG2 ARG 77 2HG ARG 77 -8.894 0.198 4.113 557 HG3 ARG 77 1HG ARG 77 -8.130 0.843 2.660 558 HD2 ARG 77 2HD ARG 77 -7.208 1.832 4.789 559 HD3 ARG 77 1HD ARG 77 -7.919 3.053 3.713 560 HE ARG 77 HE ARG 77 -9.901 1.940 5.512 561 HH11 ARG 77 1HH1 ARG 77 -7.508 2.860 7.203 562 HH12 ARG 77 2HH1 ARG 77 -7.984 4.482 7.581 563 HH21 ARG 77 1HH2 ARG 77 -10.441 4.611 5.137 564 HH22 ARG 77 2HH2 ARG 77 -9.645 5.473 6.411 565 H SER 78 H SER 78 -12.045 1.297 5.089 566 HA SER 78 HA SER 78 -14.834 1.454 3.995 567 HB2 SER 78 2HB SER 78 -13.846 0.117 6.170 568 HB3 SER 78 1HB SER 78 -14.343 1.637 6.909 569 HG SER 78 HG SER 78 -16.391 1.256 6.345 570 H ARG 79 H ARG 79 -14.390 3.600 3.070 571 HA ARG 79 HA ARG 79 -13.338 5.841 4.425 572 HB2 ARG 79 2HB ARG 79 -14.225 5.368 1.974 573 HB3 ARG 79 1HB ARG 79 -15.716 6.068 2.606 574 HG2 ARG 79 2HG ARG 79 -14.831 8.105 2.237 575 HG3 ARG 79 1HG ARG 79 -13.660 7.761 3.511 576 HD2 ARG 79 2HD ARG 79 -12.591 6.379 1.375 577 HD3 ARG 79 1HD ARG 79 -13.266 7.824 0.596 578 HE ARG 79 HE ARG 79 -12.057 8.900 2.794 579 HH11 ARG 79 1HH1 ARG 79 -11.115 7.534 -0.144 580 HH12 ARG 79 2HH1 ARG 79 -9.417 7.566 0.194 581 HH21 ARG 79 1HH2 ARG 79 -9.822 8.552 3.493 582 HH22 ARG 79 2HH2 ARG 79 -8.684 8.141 2.254 Start of MODEL 4 1 H1 ASN 1 1HT ASN 1 13.601 9.238 -11.912 2 H2 ASN 1 2HT ASN 1 14.461 8.426 -10.692 3 H3 ASN 1 3HT ASN 1 13.963 10.033 -10.458 4 HA ASN 1 HA ASN 1 11.588 9.085 -10.808 5 HB2 ASN 1 2HB ASN 1 13.429 6.740 -10.392 6 HB3 ASN 1 1HB ASN 1 11.757 6.649 -9.837 7 HD21 ASN 1 1HD2 ASN 1 13.754 7.168 -12.762 8 HD22 ASN 1 2HD2 ASN 1 12.539 6.731 -13.863 9 HA PRO 2 HA PRO 2 11.478 10.106 -6.543 10 HB2 PRO 2 2HB PRO 2 9.143 8.923 -5.747 11 HB3 PRO 2 1HB PRO 2 9.193 10.370 -6.773 12 HG2 PRO 2 2HG PRO 2 8.730 7.532 -7.526 13 HG3 PRO 2 1HG PRO 2 7.990 9.006 -8.168 14 HD2 PRO 2 2HD PRO 2 9.986 7.623 -9.432 15 HD3 PRO 2 1HD PRO 2 9.685 9.361 -9.657 16 H LEU 3 H LEU 3 11.627 9.160 -4.351 17 HA LEU 3 HA LEU 3 13.073 6.639 -4.305 18 HB2 LEU 3 2HB LEU 3 12.580 8.934 -2.658 19 HB3 LEU 3 1HB LEU 3 12.231 7.488 -1.710 20 HG LEU 3 HG LEU 3 14.786 7.996 -3.263 21 HD11 LEU 3 1HD1 LEU 3 14.159 9.213 -0.968 22 HD12 LEU 3 2HD1 LEU 3 15.790 8.618 -1.279 23 HD13 LEU 3 3HD1 LEU 3 14.676 7.666 -0.296 24 HD21 LEU 3 3HD2 LEU 3 14.248 5.622 -3.192 25 HD22 LEU 3 1HD2 LEU 3 13.896 5.719 -1.465 26 HD23 LEU 3 2HD2 LEU 3 15.548 5.940 -2.043 27 H ILE 4 H ILE 4 12.290 5.112 -2.312 28 HA ILE 4 HA ILE 4 10.025 3.669 -3.178 29 HB ILE 4 HB ILE 4 11.909 3.742 -0.948 30 HG12 ILE 4 2HG1 ILE 4 10.296 1.542 -2.269 31 HG13 ILE 4 1HG1 ILE 4 11.921 2.059 -2.723 32 HG21 ILE 4 1HG2 ILE 4 10.177 3.974 0.623 33 HG22 ILE 4 2HG2 ILE 4 10.320 2.223 0.471 34 HG23 ILE 4 3HG2 ILE 4 9.027 3.078 -0.369 35 HD11 ILE 4 3HD1 ILE 4 11.025 0.557 -0.284 36 HD12 ILE 4 1HD1 ILE 4 12.464 1.571 -0.193 37 HD13 ILE 4 2HD1 ILE 4 12.394 0.242 -1.347 38 HA PRO 5 HA PRO 5 6.628 5.973 -1.603 39 HB2 PRO 5 2HB PRO 5 4.806 3.969 -1.254 40 HB3 PRO 5 1HB PRO 5 5.286 4.560 -2.855 41 HG2 PRO 5 2HG PRO 5 6.109 2.102 -1.423 42 HG3 PRO 5 1HG PRO 5 5.860 2.370 -3.152 43 HD2 PRO 5 2HD PRO 5 8.325 2.271 -1.905 44 HD3 PRO 5 1HD PRO 5 8.007 3.048 -3.473 45 H ALA 6 H ALA 6 5.114 6.008 0.354 46 HA ALA 6 HA ALA 6 6.617 5.273 2.767 47 HB1 ALA 6 1HB ALA 6 4.153 6.908 2.141 48 HB2 ALA 6 2HB ALA 6 5.732 7.492 2.665 49 HB3 ALA 6 3HB ALA 6 4.693 6.625 3.795 50 H ILE 7 H ILE 7 3.818 4.220 0.976 51 HA ILE 7 HA ILE 7 2.271 2.931 2.930 52 HB ILE 7 HB ILE 7 1.425 3.047 0.738 53 HG12 ILE 7 2HG1 ILE 7 0.935 0.773 0.124 54 HG13 ILE 7 1HG1 ILE 7 2.404 0.186 0.906 55 HG21 ILE 7 1HG2 ILE 7 3.236 1.419 -0.792 56 HG22 ILE 7 2HG2 ILE 7 4.148 2.707 -0.012 57 HG23 ILE 7 3HG2 ILE 7 2.784 3.101 -1.054 58 HD11 ILE 7 3HD1 ILE 7 0.013 1.444 2.281 59 HD12 ILE 7 1HD1 ILE 7 1.513 0.999 3.093 60 HD13 ILE 7 2HD1 ILE 7 0.502 -0.249 2.365 61 H TYR 8 H TYR 8 4.845 1.361 0.987 62 HA TYR 8 HA TYR 8 4.887 -1.140 2.206 63 HB2 TYR 8 2HB TYR 8 7.187 0.609 1.275 64 HB3 TYR 8 1HB TYR 8 7.290 -1.132 1.524 65 HD1 TYR 8 2HD TYR 8 4.302 -1.557 0.551 66 HD2 TYR 8 1HD TYR 8 7.743 0.401 -1.115 67 HE1 TYR 8 2HE TYR 8 3.409 -1.930 -1.726 68 HE2 TYR 8 1HE TYR 8 6.844 0.027 -3.395 69 HH TYR 8 HH TYR 8 5.288 -1.503 -4.529 70 H ILE 9 H ILE 9 5.952 1.920 3.535 71 HA ILE 9 HA ILE 9 7.544 0.786 5.685 72 HB ILE 9 HB ILE 9 6.141 3.469 5.459 73 HG12 ILE 9 2HG1 ILE 9 8.811 2.488 4.415 74 HG13 ILE 9 1HG1 ILE 9 7.480 3.170 3.479 75 HG21 ILE 9 1HG2 ILE 9 8.771 3.029 6.816 76 HG22 ILE 9 2HG2 ILE 9 7.306 2.525 7.660 77 HG23 ILE 9 3HG2 ILE 9 7.508 4.209 7.174 78 HD11 ILE 9 3HD1 ILE 9 7.787 5.341 4.514 79 HD12 ILE 9 1HD1 ILE 9 9.349 4.798 3.901 80 HD13 ILE 9 2HD1 ILE 9 8.991 4.687 5.625 81 H GLY 10 H GLY 10 6.772 -0.133 7.542 82 HA2 GLY 10 2HA GLY 10 5.235 -0.840 9.174 83 HA3 GLY 10 1HA GLY 10 4.481 0.749 8.985 84 H ALA 11 H ALA 11 4.902 -1.540 6.356 85 HA ALA 11 HA ALA 11 1.905 -1.816 6.226 86 HB1 ALA 11 1HB ALA 11 2.980 -2.332 3.708 87 HB2 ALA 11 2HB ALA 11 4.006 -1.047 4.345 88 HB3 ALA 11 3HB ALA 11 2.262 -0.808 4.229 89 H THR 12 H THR 12 1.919 -3.792 4.187 90 HA THR 12 HA THR 12 3.503 -6.083 5.221 91 HB THR 12 HB THR 12 0.517 -5.710 5.475 92 HG1 THR 12 1HG THR 12 1.570 -5.272 7.323 93 HG21 THR 12 3HG2 THR 12 0.613 -7.818 4.390 94 HG22 THR 12 1HG2 THR 12 0.529 -8.200 6.110 95 HG23 THR 12 2HG2 THR 12 2.072 -8.289 5.261 96 H VAL 13 H VAL 13 4.362 -6.140 3.033 97 HA VAL 13 HA VAL 13 2.450 -6.487 0.793 98 HB VAL 13 HB VAL 13 4.455 -6.297 -0.557 99 HG11 VAL 13 1HG1 VAL 13 4.122 -4.111 0.006 100 HG12 VAL 13 2HG1 VAL 13 5.612 -4.327 0.922 101 HG13 VAL 13 3HG1 VAL 13 4.052 -4.461 1.732 102 HG21 VAL 13 3HG2 VAL 13 6.388 -7.216 0.137 103 HG22 VAL 13 1HG2 VAL 13 5.651 -7.565 1.702 104 HG23 VAL 13 2HG2 VAL 13 6.490 -6.035 1.443 105 H GLY 14 H GLY 14 2.792 -8.367 -0.701 106 HA2 GLY 14 2HA GLY 14 3.101 -10.858 0.855 107 HA3 GLY 14 1HA GLY 14 2.467 -10.737 -0.786 108 HA PRO 15 HA PRO 15 6.772 -12.261 -1.163 109 HB2 PRO 15 2HB PRO 15 6.194 -14.167 -3.038 110 HB3 PRO 15 1HB PRO 15 6.053 -14.457 -1.292 111 HG2 PRO 15 2HG PRO 15 3.934 -13.877 -3.292 112 HG3 PRO 15 1HG PRO 15 3.896 -14.947 -1.881 113 HD2 PRO 15 2HD PRO 15 2.767 -12.446 -1.954 114 HD3 PRO 15 1HD PRO 15 3.291 -13.265 -0.466 115 H SER 16 H SER 16 4.348 -11.790 -3.747 116 HA SER 16 HA SER 16 6.191 -11.224 -5.865 117 HB2 SER 16 2HB SER 16 3.478 -11.543 -5.526 118 HB3 SER 16 1HB SER 16 3.595 -9.818 -5.864 119 HG SER 16 HG SER 16 3.462 -11.420 -7.695 120 H VAL 17 H VAL 17 4.210 -8.928 -3.934 121 HA VAL 17 HA VAL 17 5.443 -6.549 -4.877 122 HB VAL 17 HB VAL 17 4.169 -7.263 -2.214 123 HG11 VAL 17 1HG1 VAL 17 3.706 -4.772 -2.140 124 HG12 VAL 17 2HG1 VAL 17 4.843 -4.592 -3.476 125 HG13 VAL 17 3HG1 VAL 17 5.400 -5.213 -1.922 126 HG21 VAL 17 3HG2 VAL 17 3.127 -6.231 -4.857 127 HG22 VAL 17 1HG2 VAL 17 2.223 -6.011 -3.358 128 HG23 VAL 17 2HG2 VAL 17 2.581 -7.636 -3.943 129 H TRP 18 H TRP 18 6.145 -8.459 -1.929 130 HA TRP 18 HA TRP 18 8.232 -6.991 -0.816 131 HB2 TRP 18 2HB TRP 18 7.314 -9.050 0.130 132 HB3 TRP 18 1HB TRP 18 7.949 -9.987 -1.219 133 HD1 TRP 18 HD TRP 18 10.502 -10.562 -1.243 134 HE1 TRP 18 1HE TRP 18 12.369 -10.362 0.523 135 HE3 TRP 18 3HE TRP 18 8.172 -7.558 2.168 136 HZ2 TRP 18 2HZ TRP 18 12.816 -9.095 3.049 137 HZ3 TRP 18 3HZ TRP 18 9.340 -6.871 4.243 138 HH2 TRP 18 HH TRP 18 11.657 -7.634 4.687 139 H ALA 19 H ALA 19 8.829 -9.755 -3.001 140 HA ALA 19 HA ALA 19 11.500 -9.408 -3.584 141 HB1 ALA 19 1HB ALA 19 10.261 -11.235 -4.501 142 HB2 ALA 19 2HB ALA 19 10.811 -10.302 -5.892 143 HB3 ALA 19 3HB ALA 19 9.145 -10.151 -5.331 144 H TYR 20 H TYR 20 8.803 -7.562 -4.977 145 HA TYR 20 HA TYR 20 10.303 -6.105 -6.933 146 HB2 TYR 20 2HB TYR 20 7.800 -6.344 -6.694 147 HB3 TYR 20 1HB TYR 20 7.879 -5.213 -5.343 148 HD1 TYR 20 1HD TYR 20 9.258 -2.984 -5.858 149 HD2 TYR 20 2HD TYR 20 7.403 -5.479 -8.822 150 HE1 TYR 20 1HE TYR 20 9.235 -1.080 -7.446 151 HE2 TYR 20 2HE TYR 20 7.380 -3.574 -10.410 152 HH TYR 20 HH TYR 20 7.480 -1.193 -10.424 153 H LEU 21 H LEU 21 9.078 -4.843 -3.807 154 HA LEU 21 HA LEU 21 10.486 -2.453 -3.673 155 HB2 LEU 21 2HB LEU 21 8.790 -3.634 -2.086 156 HB3 LEU 21 1HB LEU 21 10.223 -4.296 -1.300 157 HG LEU 21 HG LEU 21 9.593 -1.358 -1.706 158 HD11 LEU 21 1HD1 LEU 21 8.312 -2.414 0.107 159 HD12 LEU 21 2HD1 LEU 21 9.542 -1.341 0.775 160 HD13 LEU 21 3HD1 LEU 21 9.797 -3.087 0.781 161 HD21 LEU 21 3HD2 LEU 21 12.041 -2.831 -0.747 162 HD22 LEU 21 1HD2 LEU 21 11.684 -1.210 -0.151 163 HD23 LEU 21 2HD2 LEU 21 11.936 -1.481 -1.876 164 H VAL 22 H VAL 22 11.659 -5.611 -2.439 165 HA VAL 22 HA VAL 22 14.180 -4.882 -1.504 166 HB VAL 22 HB VAL 22 13.276 -7.320 -3.062 167 HG11 VAL 22 1HG1 VAL 22 15.627 -7.464 -3.120 168 HG12 VAL 22 2HG1 VAL 22 15.202 -8.373 -1.669 169 HG13 VAL 22 3HG1 VAL 22 15.801 -6.720 -1.530 170 HG21 VAL 22 3HG2 VAL 22 13.460 -6.687 -0.101 171 HG22 VAL 22 1HG2 VAL 22 13.087 -8.282 -0.755 172 HG23 VAL 22 2HG2 VAL 22 11.983 -6.936 -1.032 173 H ALA 23 H ALA 23 13.418 -5.913 -4.840 174 HA ALA 23 HA ALA 23 15.924 -5.599 -6.038 175 HB1 ALA 23 1HB ALA 23 14.669 -5.980 -7.893 176 HB2 ALA 23 2HB ALA 23 13.700 -4.532 -7.626 177 HB3 ALA 23 3HB ALA 23 13.288 -6.034 -6.799 178 H LEU 24 H LEU 24 13.467 -3.074 -5.429 179 HA LEU 24 HA LEU 24 14.795 -0.908 -6.696 180 HB2 LEU 24 2HB LEU 24 12.431 -1.275 -5.540 181 HB3 LEU 24 1HB LEU 24 13.252 -0.570 -4.147 182 HG LEU 24 HG LEU 24 13.839 1.411 -5.436 183 HD11 LEU 24 1HD1 LEU 24 14.206 0.946 -7.642 184 HD12 LEU 24 2HD1 LEU 24 12.497 1.353 -7.804 185 HD13 LEU 24 3HD1 LEU 24 12.993 -0.334 -7.675 186 HD21 LEU 24 3HD2 LEU 24 11.076 0.492 -5.090 187 HD22 LEU 24 1HD2 LEU 24 11.232 1.730 -6.336 188 HD23 LEU 24 2HD2 LEU 24 11.794 2.054 -4.696 189 H VAL 25 H VAL 25 15.040 -2.150 -3.362 190 HA VAL 25 HA VAL 25 17.526 -0.504 -3.036 191 HB VAL 25 HB VAL 25 16.015 0.561 -1.616 192 HG11 VAL 25 1HG1 VAL 25 14.418 -1.007 -0.179 193 HG12 VAL 25 2HG1 VAL 25 14.691 -2.116 -1.523 194 HG13 VAL 25 3HG1 VAL 25 13.995 -0.525 -1.821 195 HG21 VAL 25 3HG2 VAL 25 16.411 -1.409 0.507 196 HG22 VAL 25 1HG2 VAL 25 16.991 0.253 0.390 197 HG23 VAL 25 2HG2 VAL 25 17.898 -1.052 -0.372 198 H GLY 26 H GLY 26 16.192 -2.822 -0.720 199 HA2 GLY 26 2HA GLY 26 17.596 -5.143 -1.496 200 HA3 GLY 26 1HA GLY 26 18.679 -4.214 -0.460 201 H ALA 27 H ALA 27 17.902 -6.656 0.466 202 HA ALA 27 HA ALA 27 15.490 -6.734 1.990 203 HB1 ALA 27 1HB ALA 27 17.460 -8.458 1.294 204 HB2 ALA 27 2HB ALA 27 16.315 -8.790 2.593 205 HB3 ALA 27 3HB ALA 27 17.912 -8.146 2.970 206 H ALA 28 H ALA 28 18.550 -5.160 2.585 207 HA ALA 28 HA ALA 28 18.345 -4.988 5.453 208 HB1 ALA 28 1HB ALA 28 19.821 -2.808 4.470 209 HB2 ALA 28 2HB ALA 28 20.032 -4.079 3.266 210 HB3 ALA 28 3HB ALA 28 20.468 -4.377 4.948 211 H ALA 29 H ALA 29 17.943 -2.412 2.994 212 HA ALA 29 HA ALA 29 16.630 -0.578 4.764 213 HB1 ALA 29 1HB ALA 29 15.844 -0.366 1.966 214 HB2 ALA 29 2HB ALA 29 17.570 -0.690 2.118 215 HB3 ALA 29 3HB ALA 29 16.864 0.716 2.915 216 H VAL 30 H VAL 30 15.527 -3.368 3.006 217 HA VAL 30 HA VAL 30 12.706 -2.692 2.955 218 HB VAL 30 HB VAL 30 14.383 -5.186 2.633 219 HG11 VAL 30 1HG1 VAL 30 12.166 -5.758 3.676 220 HG12 VAL 30 2HG1 VAL 30 12.380 -6.429 2.059 221 HG13 VAL 30 3HG1 VAL 30 11.374 -5.000 2.294 222 HG21 VAL 30 3HG2 VAL 30 14.001 -3.179 0.915 223 HG22 VAL 30 1HG2 VAL 30 12.511 -4.064 0.587 224 HG23 VAL 30 2HG2 VAL 30 14.073 -4.854 0.364 225 H THR 31 H THR 31 14.847 -4.440 5.192 226 HA THR 31 HA THR 31 12.666 -5.336 6.924 227 HB THR 31 HB THR 31 15.626 -5.107 7.527 228 HG1 THR 31 1HG THR 31 14.221 -7.116 6.102 229 HG21 THR 31 3HG2 THR 31 15.234 -6.975 8.987 230 HG22 THR 31 1HG2 THR 31 13.602 -7.196 8.358 231 HG23 THR 31 2HG2 THR 31 13.986 -5.778 9.334 232 H ALA 32 H ALA 32 14.953 -2.630 6.851 233 HA ALA 32 HA ALA 32 14.300 -1.639 9.504 234 HB1 ALA 32 1HB ALA 32 16.163 -0.466 8.997 235 HB2 ALA 32 2HB ALA 32 15.296 0.377 7.714 236 HB3 ALA 32 3HB ALA 32 16.122 -1.143 7.369 237 H ALA 33 H ALA 33 12.910 -1.290 6.315 238 HA ALA 33 HA ALA 33 11.407 1.146 6.908 239 HB1 ALA 33 1HB ALA 33 11.604 -0.908 4.730 240 HB2 ALA 33 2HB ALA 33 11.848 0.837 4.641 241 HB3 ALA 33 3HB ALA 33 10.215 0.179 4.740 242 H ASN 34 H ASN 34 11.122 -1.855 8.196 243 HA ASN 34 HA ASN 34 9.364 -2.985 9.288 244 HB2 ASN 34 2HB ASN 34 9.087 -0.714 10.213 245 HB3 ASN 34 1HB ASN 34 8.064 -0.278 8.846 246 HD21 ASN 34 1HD2 ASN 34 6.758 0.024 11.177 247 HD22 ASN 34 2HD2 ASN 34 5.704 -1.267 11.500 248 H ILE 35 H ILE 35 9.382 -4.105 7.021 249 HA ILE 35 HA ILE 35 6.710 -3.731 5.705 250 HB ILE 35 HB ILE 35 9.403 -4.677 4.676 251 HG12 ILE 35 2HG1 ILE 35 7.763 -2.464 3.493 252 HG13 ILE 35 1HG1 ILE 35 8.646 -2.148 4.987 253 HG21 ILE 35 1HG2 ILE 35 6.846 -4.414 3.078 254 HG22 ILE 35 2HG2 ILE 35 7.369 -5.946 3.780 255 HG23 ILE 35 3HG2 ILE 35 8.370 -5.142 2.571 256 HD11 ILE 35 3HD1 ILE 35 10.710 -2.378 3.982 257 HD12 ILE 35 1HD1 ILE 35 9.786 -1.803 2.594 258 HD13 ILE 35 2HD1 ILE 35 10.113 -3.526 2.783 259 H ARG 36 H ARG 36 5.403 -5.324 6.548 260 HA ARG 36 HA ARG 36 6.482 -7.907 7.428 261 HB2 ARG 36 2HB ARG 36 3.906 -6.400 7.455 262 HB3 ARG 36 1HB ARG 36 3.811 -8.155 7.607 263 HG2 ARG 36 2HG ARG 36 5.791 -7.713 9.359 264 HG3 ARG 36 1HG ARG 36 4.980 -6.151 9.479 265 HD2 ARG 36 2HD ARG 36 3.314 -7.062 10.713 266 HD3 ARG 36 1HD ARG 36 3.030 -8.305 9.479 267 HE ARG 36 HE ARG 36 5.461 -8.909 10.859 268 HH11 ARG 36 1HH1 ARG 36 2.898 -10.603 10.289 269 HH12 ARG 36 2HH1 ARG 36 2.493 -11.077 11.905 270 HH21 ARG 36 1HH2 ARG 36 4.582 -8.743 13.393 271 HH22 ARG 36 2HH2 ARG 36 3.447 -10.023 13.663 272 H ARG 37 H ARG 37 6.172 -9.889 6.374 273 HA ARG 37 HA ARG 37 5.496 -9.759 3.501 274 HB2 ARG 37 2HB ARG 37 7.019 -11.421 5.359 275 HB3 ARG 37 1HB ARG 37 6.042 -12.395 4.262 276 HG2 ARG 37 2HG ARG 37 6.985 -10.713 2.446 277 HG3 ARG 37 1HG ARG 37 8.273 -10.498 3.634 278 HD2 ARG 37 2HD ARG 37 8.205 -13.168 3.672 279 HD3 ARG 37 1HD ARG 37 7.563 -12.925 2.034 280 HE ARG 37 HE ARG 37 9.592 -11.481 1.609 281 HH11 ARG 37 1HH1 ARG 37 10.661 -11.232 4.342 282 HH12 ARG 37 2HH1 ARG 37 11.883 -12.457 4.398 283 HH21 ARG 37 1HH2 ARG 37 10.687 -14.149 1.617 284 HH22 ARG 37 2HH2 ARG 37 11.897 -14.109 2.856 285 H ALA 38 H ALA 38 3.785 -11.022 2.572 286 HA ALA 38 HA ALA 38 1.740 -12.005 4.536 287 HB1 ALA 38 1HB ALA 38 0.441 -11.216 2.183 288 HB2 ALA 38 2HB ALA 38 1.688 -9.994 2.428 289 HB3 ALA 38 3HB ALA 38 0.502 -10.308 3.694 290 H SER 39 H SER 39 0.300 -13.701 3.615 291 HA SER 39 HA SER 39 1.642 -15.883 2.452 292 HB2 SER 39 2HB SER 39 -0.808 -15.357 3.525 293 HB3 SER 39 1HB SER 39 -1.237 -15.555 1.829 294 HG SER 39 HG SER 39 -1.223 -17.592 2.500 295 H SER 40 H SER 40 0.168 -13.097 0.908 296 HA SER 40 HA SER 40 1.425 -13.711 -1.640 297 HB2 SER 40 2HB SER 40 -1.423 -14.420 -1.068 298 HB3 SER 40 1HB SER 40 -1.039 -13.795 -2.668 299 HG SER 40 HG SER 40 0.809 -15.457 -2.368 300 H ASP 41 H ASP 41 -0.012 -12.192 -3.369 301 HA ASP 41 HA ASP 41 0.505 -9.493 -2.580 302 HB2 ASP 41 2HB ASP 41 -1.438 -10.449 -4.699 303 HB3 ASP 41 1HB ASP 41 -0.462 -8.982 -4.719 304 H ASN 42 H ASN 42 -2.111 -11.585 -1.848 305 HA ASN 42 HA ASN 42 -3.983 -9.331 -1.321 306 HB2 ASN 42 2HB ASN 42 -4.132 -12.104 -2.105 307 HB3 ASN 42 1HB ASN 42 -5.081 -11.856 -0.638 308 HD21 ASN 42 1HD2 ASN 42 -6.665 -12.411 -2.738 309 HD22 ASN 42 2HD2 ASN 42 -7.388 -11.020 -3.387 310 H HIS 43 H HIS 43 -3.347 -8.413 0.659 311 HA HIS 43 HA HIS 43 -3.431 -10.222 3.026 312 HB2 HIS 43 2HB HIS 43 -1.433 -8.728 3.831 313 HB3 HIS 43 1HB HIS 43 -1.117 -10.047 2.711 314 HD1 HIS 43 1HD HIS 43 -1.217 -6.304 2.930 315 HD2 HIS 43 2HD HIS 43 -0.453 -9.225 0.056 316 HE1 HIS 43 1HE HIS 43 -0.105 -5.114 0.978 317 H SER 44 H SER 44 -3.386 -8.752 5.085 318 HA SER 44 HA SER 44 -5.563 -6.817 4.824 319 HB2 SER 44 2HB SER 44 -4.890 -6.628 7.369 320 HB3 SER 44 1HB SER 44 -5.636 -8.106 6.775 321 HG SER 44 HG SER 44 -3.229 -7.766 7.871 322 H CYS 45 H CYS 45 -5.287 -4.622 4.571 323 HA CYS 45 HA CYS 45 -2.558 -3.503 5.123 324 HB2 CYS 45 2HB CYS 45 -3.245 -1.883 3.239 325 HB3 CYS 45 1HB CYS 45 -2.862 -3.533 2.774 326 H ALA 46 H ALA 46 -2.782 -0.975 5.278 327 HA ALA 46 HA ALA 46 -3.515 0.773 6.708 328 HB1 ALA 46 1HB ALA 46 -5.354 0.173 4.778 329 HB2 ALA 46 2HB ALA 46 -5.537 1.513 5.910 330 HB3 ALA 46 3HB ALA 46 -6.332 -0.026 6.231 331 H GLY 47 H GLY 47 -3.012 -1.789 7.986 332 HA2 GLY 47 2HA GLY 47 -3.312 -2.711 10.130 333 HA3 GLY 47 1HA GLY 47 -4.395 -1.363 10.493 334 H ASN 48 H ASN 48 -6.015 -2.717 11.434 335 HA ASN 48 HA ASN 48 -7.157 -4.895 9.832 336 HB2 ASN 48 2HB ASN 48 -8.435 -5.313 11.844 337 HB3 ASN 48 1HB ASN 48 -6.789 -4.915 12.337 338 HD21 ASN 48 1HD2 ASN 48 -6.809 -3.523 14.099 339 HD22 ASN 48 2HD2 ASN 48 -7.933 -2.276 14.348 340 H ARG 49 H ARG 49 -7.330 -1.978 8.976 341 HA ARG 49 HA ARG 49 -10.281 -1.569 9.090 342 HB2 ARG 49 2HB ARG 49 -7.848 0.145 8.651 343 HB3 ARG 49 1HB ARG 49 -9.435 0.720 8.141 344 HG2 ARG 49 2HG ARG 49 -9.891 -0.280 10.696 345 HG3 ARG 49 1HG ARG 49 -8.322 0.511 10.832 346 HD2 ARG 49 2HD ARG 49 -10.453 1.988 9.344 347 HD3 ARG 49 1HD ARG 49 -10.597 1.901 11.112 348 HE ARG 49 HE ARG 49 -7.897 2.496 10.564 349 HH11 ARG 49 1HH2 ARG 49 -10.582 3.890 9.072 350 HH12 ARG 49 2HH2 ARG 49 -10.223 5.512 9.560 351 HH21 ARG 49 1HH1 ARG 49 -7.603 4.589 11.635 352 HH22 ARG 49 2HH1 ARG 49 -8.537 5.908 11.010 353 H GLY 50 H GLY 50 -7.585 -2.115 6.862 354 HA2 GLY 50 2HA GLY 50 -9.607 -2.235 4.658 355 HA3 GLY 50 1HA GLY 50 -8.011 -1.534 4.402 356 H TRP 51 H TRP 51 -8.939 -3.697 2.871 357 HA TRP 51 HA TRP 51 -7.027 -5.849 3.713 358 HB2 TRP 51 2HB TRP 51 -9.949 -5.888 3.369 359 HB3 TRP 51 1HB TRP 51 -9.127 -7.158 2.464 360 HD1 TRP 51 HD TRP 51 -10.488 -6.459 5.768 361 HE1 TRP 51 1HE TRP 51 -9.594 -8.123 7.522 362 HE3 TRP 51 3HE TRP 51 -6.615 -8.508 3.148 363 HZ2 TRP 51 2HZ TRP 51 -7.510 -10.065 7.781 364 HZ3 TRP 51 3HZ TRP 51 -5.192 -10.257 4.170 365 HH2 TRP 51 HH TRP 51 -5.633 -11.039 6.481 366 H CYS 52 H CYS 52 -6.604 -7.338 1.703 367 HA CYS 52 HA CYS 52 -6.416 -5.578 -0.707 368 HB2 CYS 52 2HB CYS 52 -4.447 -6.724 0.576 369 HB3 CYS 52 1HB CYS 52 -4.975 -8.179 -0.267 370 H ARG 53 H ARG 53 -7.985 -5.988 -2.203 371 HA ARG 53 HA ARG 53 -8.719 -8.844 -2.761 372 HB2 ARG 53 2HB ARG 53 -10.562 -6.431 -2.694 373 HB3 ARG 53 1HB ARG 53 -11.046 -8.102 -2.947 374 HG2 ARG 53 2HG ARG 53 -11.109 -8.502 -0.735 375 HG3 ARG 53 1HG ARG 53 -9.500 -7.816 -0.504 376 HD2 ARG 53 2HD ARG 53 -10.433 -5.549 -0.483 377 HD3 ARG 53 1HD ARG 53 -12.058 -6.201 -0.776 378 HE ARG 53 HE ARG 53 -10.855 -6.095 1.783 379 HH11 ARG 53 1HH2 ARG 53 -13.620 -7.180 0.633 380 HH12 ARG 53 2HH2 ARG 53 -13.673 -8.698 1.464 381 HH21 ARG 53 1HH1 ARG 53 -10.352 -8.573 2.453 382 HH22 ARG 53 2HH1 ARG 53 -11.821 -9.487 2.493 383 H SER 54 H SER 54 -9.363 -9.185 -5.025 384 HA SER 54 HA SER 54 -7.876 -7.777 -6.983 385 HB2 SER 54 2HB SER 54 -8.661 -9.858 -7.669 386 HB3 SER 54 1HB SER 54 -10.227 -9.627 -6.897 387 HG SER 54 HG SER 54 -9.388 -8.999 -9.427 388 H LYS 55 H LYS 55 -11.368 -7.598 -6.341 389 HA LYS 55 HA LYS 55 -11.332 -4.741 -7.231 390 HB2 LYS 55 2HB LYS 55 -13.618 -5.317 -8.155 391 HB3 LYS 55 1HB LYS 55 -12.292 -6.140 -8.969 392 HG2 LYS 55 2HG LYS 55 -13.308 -7.603 -6.639 393 HG3 LYS 55 1HG LYS 55 -14.524 -7.372 -7.894 394 HD2 LYS 55 2HD LYS 55 -12.210 -8.056 -9.302 395 HD3 LYS 55 1HD LYS 55 -12.193 -9.117 -7.893 396 HE2 LYS 55 2HE LYS 55 -14.879 -9.075 -8.796 397 HE3 LYS 55 1HE LYS 55 -13.866 -9.295 -10.238 398 HZ1 LYS 55 3HZ LYS 55 -13.277 -10.758 -7.743 399 HZ2 LYS 55 1HZ LYS 55 -12.826 -11.143 -9.333 400 HZ3 LYS 55 2HZ LYS 55 -14.436 -11.356 -8.832 401 H CYS 56 H CYS 56 -13.992 -4.158 -6.542 402 HA CYS 56 HA CYS 56 -14.607 -5.209 -3.877 403 HB2 CYS 56 2HB CYS 56 -13.005 -2.764 -4.332 404 HB3 CYS 56 1HB CYS 56 -14.305 -2.598 -3.151 405 H PHE 57 H PHE 57 -16.436 -3.819 -2.869 406 HA PHE 57 HA PHE 57 -18.516 -3.448 -4.885 407 HB2 PHE 57 2HB PHE 57 -18.494 -2.870 -1.907 408 HB3 PHE 57 1HB PHE 57 -19.909 -3.178 -2.910 409 HD1 PHE 57 2HD PHE 57 -20.176 -5.444 -4.009 410 HD2 PHE 57 1HD PHE 57 -17.220 -4.661 -0.993 411 HE1 PHE 57 2HE PHE 57 -19.925 -7.881 -3.622 412 HE2 PHE 57 1HE PHE 57 -16.969 -7.097 -0.605 413 HZ PHE 57 HZ PHE 57 -18.321 -8.707 -1.920 414 H ARG 58 H ARG 58 -19.981 -1.358 -4.382 415 HA ARG 58 HA ARG 58 -18.319 0.948 -5.030 416 HB2 ARG 58 2HB ARG 58 -20.738 0.093 -5.819 417 HB3 ARG 58 1HB ARG 58 -21.244 1.149 -4.500 418 HG2 ARG 58 2HG ARG 58 -20.923 2.950 -5.808 419 HG3 ARG 58 1HG ARG 58 -19.226 2.510 -6.001 420 HD2 ARG 58 2HD ARG 58 -19.571 1.725 -8.108 421 HD3 ARG 58 1HD ARG 58 -21.031 0.842 -7.617 422 HE ARG 58 HE ARG 58 -21.331 3.766 -7.688 423 HH11 ARG 58 1HH2 ARG 58 -22.999 1.041 -8.297 424 HH12 ARG 58 2HH2 ARG 58 -23.568 1.469 -9.876 425 HH21 ARG 58 1HH1 ARG 58 -21.466 4.212 -10.176 426 HH22 ARG 58 2HH1 ARG 58 -22.699 3.266 -10.941 427 H HIS 59 H HIS 59 -20.428 -0.060 -2.346 428 HA HIS 59 HA HIS 59 -20.387 2.315 -0.809 429 HB2 HIS 59 2HB HIS 59 -20.849 -0.569 -0.457 430 HB3 HIS 59 1HB HIS 59 -20.298 0.232 1.014 431 HD1 HIS 59 1HD HIS 59 -22.146 1.211 2.356 432 HD2 HIS 59 2HD HIS 59 -23.096 1.119 -1.702 433 HE1 HIS 59 1HE HIS 59 -24.491 2.145 2.149 434 H GLU 60 H GLU 60 -17.828 0.139 -1.589 435 HA GLU 60 HA GLU 60 -16.086 1.336 0.541 436 HB2 GLU 60 2HB GLU 60 -16.231 -1.333 -0.867 437 HB3 GLU 60 1HB GLU 60 -14.750 -0.819 -0.065 438 HG2 GLU 60 2HG GLU 60 -16.690 -0.261 1.826 439 HG3 GLU 60 1HG GLU 60 -17.268 -1.761 1.101 440 H TYR 61 H TYR 61 -13.654 1.202 -0.337 441 HA TYR 61 HA TYR 61 -13.546 1.822 -3.250 442 HB2 TYR 61 2HB TYR 61 -12.551 3.964 -2.886 443 HB3 TYR 61 1HB TYR 61 -13.950 3.904 -1.821 444 HD1 TYR 61 1HD TYR 61 -13.396 2.773 0.576 445 HD2 TYR 61 2HD TYR 61 -10.554 4.756 -1.966 446 HE1 TYR 61 1HE TYR 61 -11.941 3.189 2.535 447 HE2 TYR 61 2HE TYR 61 -9.104 5.175 0.000 448 HH TYR 61 HH TYR 61 -9.293 5.343 2.425 449 H VAL 62 H VAL 62 -10.946 2.699 -3.348 450 HA VAL 62 HA VAL 62 -9.379 0.432 -2.160 451 HB VAL 62 HB VAL 62 -9.453 1.644 -4.929 452 HG11 VAL 62 1HG1 VAL 62 -7.447 0.289 -5.453 453 HG12 VAL 62 2HG1 VAL 62 -7.311 -0.153 -3.751 454 HG13 VAL 62 3HG1 VAL 62 -7.093 1.525 -4.246 455 HG21 VAL 62 3HG2 VAL 62 -9.318 -1.051 -5.220 456 HG22 VAL 62 1HG2 VAL 62 -10.840 -0.178 -5.051 457 HG23 VAL 62 2HG2 VAL 62 -10.109 -0.956 -3.647 458 H ASP 63 H ASP 63 -8.412 1.680 -0.487 459 HA ASP 63 HA ASP 63 -7.569 4.338 -0.549 460 HB2 ASP 63 2HB ASP 63 -5.730 3.388 1.053 461 HB3 ASP 63 1HB ASP 63 -7.423 3.208 1.504 462 H THR 64 H THR 64 -6.783 4.822 -2.662 463 HA THR 64 HA THR 64 -4.862 3.627 -4.232 464 HB THR 64 HB THR 64 -4.106 6.220 -4.425 465 HG1 THR 64 1HG THR 64 -6.284 7.245 -3.877 466 HG21 THR 64 3HG2 THR 64 -6.608 6.309 -5.579 467 HG22 THR 64 1HG2 THR 64 -6.299 4.576 -5.478 468 HG23 THR 64 2HG2 THR 64 -5.168 5.626 -6.334 469 H TYR 65 H TYR 65 -4.319 5.130 -1.103 470 HA TYR 65 HA TYR 65 -1.459 5.415 -1.285 471 HB2 TYR 65 2HB TYR 65 -3.219 6.398 0.347 472 HB3 TYR 65 1HB TYR 65 -3.047 4.879 1.224 473 HD1 TYR 65 2HD TYR 65 -0.721 4.159 1.983 474 HD2 TYR 65 1HD TYR 65 -1.594 8.114 0.553 475 HE1 TYR 65 2HE TYR 65 1.358 5.000 3.041 476 HE2 TYR 65 1HE TYR 65 0.484 8.955 1.610 477 HH TYR 65 HH TYR 65 1.965 8.136 3.660 478 H TYR 66 H TYR 66 -3.463 2.895 0.315 479 HA TYR 66 HA TYR 66 -1.116 1.214 0.802 480 HB2 TYR 66 2HB TYR 66 -4.045 1.214 1.355 481 HB3 TYR 66 1HB TYR 66 -3.214 -0.342 1.411 482 HD1 TYR 66 1HD TYR 66 -1.331 -0.709 2.979 483 HD2 TYR 66 2HD TYR 66 -3.603 2.935 2.992 484 HE1 TYR 66 1HE TYR 66 -0.391 -0.131 5.200 485 HE2 TYR 66 2HE TYR 66 -2.664 3.513 5.213 486 HH TYR 66 HH TYR 66 -0.408 1.310 6.882 487 H SER 67 H SER 67 -3.172 1.694 -1.879 488 HA SER 67 HA SER 67 -3.578 -0.839 -3.012 489 HB2 SER 67 2HB SER 67 -4.139 1.538 -3.845 490 HB3 SER 67 1HB SER 67 -2.513 1.561 -4.523 491 HG SER 67 HG SER 67 -4.436 0.721 -5.816 492 H ALA 68 H ALA 68 -0.591 0.865 -2.434 493 HA ALA 68 HA ALA 68 1.102 -0.486 -4.319 494 HB1 ALA 68 1HB ALA 68 2.251 1.275 -3.469 495 HB2 ALA 68 2HB ALA 68 2.652 0.210 -2.121 496 HB3 ALA 68 3HB ALA 68 1.273 1.302 -2.002 497 H VAL 69 H VAL 69 1.185 -0.947 -0.753 498 HA VAL 69 HA VAL 69 2.578 -3.346 -0.685 499 HB VAL 69 HB VAL 69 1.703 -1.907 1.224 500 HG11 VAL 69 1HG1 VAL 69 -0.785 -3.449 0.547 501 HG12 VAL 69 2HG1 VAL 69 -0.602 -1.715 0.806 502 HG13 VAL 69 3HG1 VAL 69 -0.498 -2.826 2.171 503 HG21 VAL 69 3HG2 VAL 69 2.531 -3.608 2.421 504 HG22 VAL 69 1HG2 VAL 69 2.191 -4.721 1.099 505 HG23 VAL 69 2HG2 VAL 69 0.962 -4.409 2.323 506 H CYS 70 H CYS 70 -0.792 -2.842 -1.564 507 HA CYS 70 HA CYS 70 -1.715 -5.538 -1.452 508 HB2 CYS 70 2HB CYS 70 -2.508 -2.955 -2.463 509 HB3 CYS 70 1HB CYS 70 -2.892 -4.196 -3.657 510 H GLY 71 H GLY 71 -0.439 -3.713 -4.269 511 HA2 GLY 71 2HA GLY 71 1.112 -4.636 -5.875 512 HA3 GLY 71 1HA GLY 71 0.690 -6.253 -5.310 513 H ARG 72 H ARG 72 -0.019 -7.185 -7.215 514 HA ARG 72 HA ARG 72 -1.417 -6.029 -9.344 515 HB2 ARG 72 2HB ARG 72 -1.540 -8.778 -8.072 516 HB3 ARG 72 1HB ARG 72 -2.270 -8.409 -9.634 517 HG2 ARG 72 2HG ARG 72 0.096 -7.440 -10.216 518 HG3 ARG 72 1HG ARG 72 0.636 -8.453 -8.876 519 HD2 ARG 72 2HD ARG 72 -0.029 -10.449 -9.954 520 HD3 ARG 72 1HD ARG 72 -1.103 -9.586 -11.074 521 HE ARG 72 HE ARG 72 1.709 -8.771 -11.248 522 HH11 ARG 72 1HH1 ARG 72 -1.006 -9.719 -12.941 523 HH12 ARG 72 2HH1 ARG 72 -0.160 -10.569 -14.189 524 HH21 ARG 72 1HH2 ARG 72 2.917 -10.372 -12.604 525 HH22 ARG 72 2HH2 ARG 72 2.062 -10.939 -13.999 526 H TYR 73 H TYR 73 -2.587 -6.811 -6.146 527 HA TYR 73 HA TYR 73 -5.427 -6.543 -6.967 528 HB2 TYR 73 2HB TYR 73 -3.954 -7.218 -4.411 529 HB3 TYR 73 1HB TYR 73 -5.703 -7.019 -4.461 530 HD1 TYR 73 2HD TYR 73 -6.099 -8.186 -7.291 531 HD2 TYR 73 1HD TYR 73 -3.890 -9.548 -3.869 532 HE1 TYR 73 2HE TYR 73 -6.342 -10.523 -8.066 533 HE2 TYR 73 1HE TYR 73 -4.136 -11.888 -4.643 534 HH TYR 73 HH TYR 73 -4.545 -12.952 -7.181 535 H PHE 74 H PHE 74 -6.584 -5.278 -4.902 536 HA PHE 74 HA PHE 74 -5.253 -2.599 -4.701 537 HB2 PHE 74 2HB PHE 74 -8.192 -3.228 -5.118 538 HB3 PHE 74 1HB PHE 74 -7.473 -1.622 -5.059 539 HD1 PHE 74 1HD PHE 74 -7.401 -4.837 -6.942 540 HD2 PHE 74 2HD PHE 74 -6.583 -0.624 -6.995 541 HE1 PHE 74 1HE PHE 74 -6.965 -4.957 -9.378 542 HE2 PHE 74 2HE PHE 74 -6.142 -0.739 -9.431 543 HZ PHE 74 HZ PHE 74 -6.329 -2.907 -10.626 544 H CYS 75 H CYS 75 -5.216 -1.824 -2.601 545 HA CYS 75 HA CYS 75 -6.331 -3.480 -0.456 546 HB2 CYS 75 2HB CYS 75 -4.196 -2.449 -0.113 547 HB3 CYS 75 1HB CYS 75 -4.792 -0.878 -0.648 548 H CYS 76 H CYS 76 -8.621 -3.331 -0.433 549 HA CYS 76 HA CYS 76 -9.951 -0.782 -0.898 550 HB2 CYS 76 2HB CYS 76 -10.883 -3.465 0.132 551 HB3 CYS 76 1HB CYS 76 -11.963 -2.133 -0.258 552 H ARG 77 H ARG 77 -11.499 0.060 0.737 553 HA ARG 77 HA ARG 77 -10.942 -0.445 3.574 554 HB2 ARG 77 2HB ARG 77 -9.548 1.560 2.004 555 HB3 ARG 77 1HB ARG 77 -10.474 2.322 3.298 556 HG2 ARG 77 2HG ARG 77 -9.434 0.348 4.740 557 HG3 ARG 77 1HG ARG 77 -8.199 0.388 3.481 558 HD2 ARG 77 2HD ARG 77 -7.583 1.899 5.342 559 HD3 ARG 77 1HD ARG 77 -7.922 2.843 3.877 560 HE ARG 77 HE ARG 77 -10.372 2.491 5.278 561 HH11 ARG 77 1HH2 ARG 77 -7.277 3.739 6.060 562 HH12 ARG 77 2HH2 ARG 77 -7.889 5.173 6.815 563 HH21 ARG 77 1HH1 ARG 77 -11.200 4.482 6.051 564 HH22 ARG 77 2HH1 ARG 77 -10.110 5.593 6.810 565 H SER 78 H SER 78 -12.321 1.070 4.930 566 HA SER 78 HA SER 78 -14.874 1.634 3.484 567 HB2 SER 78 2HB SER 78 -15.485 1.831 6.094 568 HB3 SER 78 1HB SER 78 -15.375 0.273 5.280 569 HG SER 78 HG SER 78 -13.888 -0.125 6.709 570 H ARG 79 H ARG 79 -14.679 3.747 2.699 571 HA ARG 79 HA ARG 79 -13.342 5.881 4.123 572 HB2 ARG 79 2HB ARG 79 -14.466 5.365 1.593 573 HB3 ARG 79 1HB ARG 79 -15.379 6.730 2.237 574 HG2 ARG 79 2HG ARG 79 -13.236 7.887 2.749 575 HG3 ARG 79 1HG ARG 79 -12.361 6.546 2.011 576 HD2 ARG 79 2HD ARG 79 -13.084 7.086 -0.149 577 HD3 ARG 79 1HD ARG 79 -14.520 7.945 0.442 578 HE ARG 79 HE ARG 79 -13.036 9.766 1.195 579 HH11 ARG 79 1HH1 ARG 79 -12.305 8.220 -1.644 580 HH12 ARG 79 2HH1 ARG 79 -10.659 8.750 -1.739 581 HH21 ARG 79 1HH2 ARG 79 -10.618 10.059 1.472 582 HH22 ARG 79 2HH2 ARG 79 -9.704 9.791 0.025 Start of MODEL 5 1 H1 ASN 1 1HT ASN 1 7.581 8.793 -8.354 2 H2 ASN 1 2HT ASN 1 8.894 7.765 -8.680 3 H3 ASN 1 3HT ASN 1 9.158 9.416 -8.379 4 HA ASN 1 HA ASN 1 8.439 9.166 -6.091 5 HB2 ASN 1 2HB ASN 1 7.134 6.983 -7.284 6 HB3 ASN 1 1HB ASN 1 8.292 6.261 -6.165 7 HD21 ASN 1 1HD2 ASN 1 8.291 8.403 -4.202 8 HD22 ASN 1 2HD2 ASN 1 6.770 8.404 -3.448 9 HA PRO 2 HA PRO 2 12.835 8.019 -6.367 10 HB2 PRO 2 2HB PRO 2 13.681 9.959 -4.632 11 HB3 PRO 2 1HB PRO 2 13.398 10.263 -6.358 12 HG2 PRO 2 2HG PRO 2 11.682 10.905 -4.019 13 HG3 PRO 2 1HG PRO 2 11.959 11.826 -5.504 14 HD2 PRO 2 2HD PRO 2 9.724 10.312 -5.033 15 HD3 PRO 2 1HD PRO 2 10.339 10.703 -6.653 16 H LEU 3 H LEU 3 14.161 6.952 -4.777 17 HA LEU 3 HA LEU 3 14.524 5.634 -2.850 18 HB2 LEU 3 2HB LEU 3 13.724 8.270 -2.146 19 HB3 LEU 3 1HB LEU 3 12.914 7.174 -1.026 20 HG LEU 3 HG LEU 3 15.834 6.805 -1.647 21 HD11 LEU 3 1HD1 LEU 3 15.666 8.174 0.792 22 HD12 LEU 3 2HD1 LEU 3 14.620 9.080 -0.302 23 HD13 LEU 3 3HD1 LEU 3 16.311 8.807 -0.723 24 HD21 LEU 3 3HD2 LEU 3 15.085 5.014 -0.370 25 HD22 LEU 3 1HD2 LEU 3 13.863 5.981 0.456 26 HD23 LEU 3 2HD2 LEU 3 15.562 6.133 0.908 27 H ILE 4 H ILE 4 13.128 4.643 -0.885 28 HA ILE 4 HA ILE 4 11.035 3.066 -2.072 29 HB ILE 4 HB ILE 4 12.363 3.458 0.560 30 HG12 ILE 4 2HG1 ILE 4 13.014 1.756 -1.160 31 HG13 ILE 4 1HG1 ILE 4 12.612 1.045 0.402 32 HG21 ILE 4 1HG2 ILE 4 9.502 2.654 0.307 33 HG22 ILE 4 2HG2 ILE 4 10.342 3.404 1.661 34 HG23 ILE 4 3HG2 ILE 4 10.508 1.672 1.371 35 HD11 ILE 4 3HD1 ILE 4 10.319 0.571 -0.421 36 HD12 ILE 4 1HD1 ILE 4 11.546 -0.233 -1.400 37 HD13 ILE 4 2HD1 ILE 4 10.763 1.230 -1.995 38 HA PRO 5 HA PRO 5 7.566 5.703 -1.427 39 HB2 PRO 5 2HB PRO 5 5.595 3.811 -1.293 40 HB3 PRO 5 1HB PRO 5 6.393 4.256 -2.813 41 HG2 PRO 5 2HG PRO 5 6.868 1.914 -1.045 42 HG3 PRO 5 1HG PRO 5 6.848 2.002 -2.813 43 HD2 PRO 5 2HD PRO 5 9.125 1.912 -1.335 44 HD3 PRO 5 1HD PRO 5 9.024 2.705 -2.923 45 H ALA 6 H ALA 6 5.721 5.945 0.202 46 HA ALA 6 HA ALA 6 6.705 5.377 2.902 47 HB1 ALA 6 1HB ALA 6 4.953 6.959 3.531 48 HB2 ALA 6 2HB ALA 6 4.241 6.846 1.922 49 HB3 ALA 6 3HB ALA 6 5.824 7.592 2.134 50 H ILE 7 H ILE 7 3.787 4.689 0.963 51 HA ILE 7 HA ILE 7 2.252 3.294 2.847 52 HB ILE 7 HB ILE 7 1.248 3.709 0.768 53 HG12 ILE 7 2HG1 ILE 7 0.623 1.578 -0.164 54 HG13 ILE 7 1HG1 ILE 7 2.108 0.826 0.415 55 HG21 ILE 7 1HG2 ILE 7 3.923 3.189 -0.227 56 HG22 ILE 7 2HG2 ILE 7 2.616 4.106 -0.975 57 HG23 ILE 7 3HG2 ILE 7 2.716 2.361 -1.210 58 HD11 ILE 7 3HD1 ILE 7 0.540 0.147 2.014 59 HD12 ILE 7 1HD1 ILE 7 -0.301 1.695 1.990 60 HD13 ILE 7 2HD1 ILE 7 1.266 1.559 2.776 61 H TYR 8 H TYR 8 4.900 2.024 0.837 62 HA TYR 8 HA TYR 8 4.665 -0.711 1.584 63 HB2 TYR 8 2HB TYR 8 6.867 1.103 0.622 64 HB3 TYR 8 1HB TYR 8 7.210 -0.587 1.000 65 HD1 TYR 8 2HD TYR 8 4.838 1.564 -0.946 66 HD2 TYR 8 1HD TYR 8 6.752 -2.261 -0.578 67 HE1 TYR 8 2HE TYR 8 3.852 0.868 -3.104 68 HE2 TYR 8 1HE TYR 8 5.759 -2.962 -2.739 69 HH TYR 8 HH TYR 8 4.835 -1.315 -4.958 70 H ILE 9 H ILE 9 6.238 2.022 3.198 71 HA ILE 9 HA ILE 9 7.597 0.421 5.199 72 HB ILE 9 HB ILE 9 6.697 3.322 5.249 73 HG12 ILE 9 2HG1 ILE 9 9.367 2.246 4.316 74 HG13 ILE 9 1HG1 ILE 9 8.035 2.551 3.201 75 HG21 ILE 9 1HG2 ILE 9 8.190 3.644 6.988 76 HG22 ILE 9 2HG2 ILE 9 9.216 2.297 6.494 77 HG23 ILE 9 3HG2 ILE 9 7.692 1.985 7.327 78 HD11 ILE 9 3HD1 ILE 9 9.673 4.497 4.777 79 HD12 ILE 9 1HD1 ILE 9 7.988 4.901 4.442 80 HD13 ILE 9 2HD1 ILE 9 9.106 4.602 3.110 81 H GLY 10 H GLY 10 6.802 -0.264 7.191 82 HA2 GLY 10 2HA GLY 10 5.207 -0.774 8.837 83 HA3 GLY 10 1HA GLY 10 4.541 0.834 8.535 84 H ALA 11 H ALA 11 4.869 -1.670 6.083 85 HA ALA 11 HA ALA 11 1.870 -1.913 6.022 86 HB1 ALA 11 1HB ALA 11 2.839 -2.276 3.426 87 HB2 ALA 11 2HB ALA 11 3.824 -0.966 4.073 88 HB3 ALA 11 3HB ALA 11 2.067 -0.820 4.049 89 H THR 12 H THR 12 1.749 -3.815 3.955 90 HA THR 12 HA THR 12 3.502 -6.083 4.756 91 HB THR 12 HB THR 12 0.538 -5.813 5.257 92 HG1 THR 12 1HG THR 12 1.152 -6.122 7.254 93 HG21 THR 12 3HG2 THR 12 0.719 -8.355 5.778 94 HG22 THR 12 1HG2 THR 12 2.111 -8.318 4.696 95 HG23 THR 12 2HG2 THR 12 0.517 -7.857 4.099 96 H VAL 13 H VAL 13 4.220 -6.266 2.578 97 HA VAL 13 HA VAL 13 2.181 -6.436 0.423 98 HB VAL 13 HB VAL 13 4.075 -6.191 -1.022 99 HG11 VAL 13 1HG1 VAL 13 4.536 -4.691 1.571 100 HG12 VAL 13 2HG1 VAL 13 3.633 -4.134 0.164 101 HG13 VAL 13 3HG1 VAL 13 5.382 -4.328 0.068 102 HG21 VAL 13 3HG2 VAL 13 6.414 -6.278 0.325 103 HG22 VAL 13 1HG2 VAL 13 5.720 -7.696 -0.460 104 HG23 VAL 13 2HG2 VAL 13 5.497 -7.450 1.271 105 H GLY 14 H GLY 14 3.026 -8.268 -1.295 106 HA2 GLY 14 2HA GLY 14 2.781 -10.816 0.200 107 HA3 GLY 14 1HA GLY 14 2.551 -10.615 -1.538 108 HA PRO 15 HA PRO 15 6.751 -12.394 -0.855 109 HB2 PRO 15 2HB PRO 15 6.493 -14.371 -2.731 110 HB3 PRO 15 1HB PRO 15 5.973 -14.565 -1.044 111 HG2 PRO 15 2HG PRO 15 4.352 -13.982 -3.469 112 HG3 PRO 15 1HG PRO 15 3.973 -15.009 -2.077 113 HD2 PRO 15 2HD PRO 15 2.970 -12.491 -2.419 114 HD3 PRO 15 1HD PRO 15 3.198 -13.255 -0.830 115 H SER 16 H SER 16 4.958 -11.933 -3.914 116 HA SER 16 HA SER 16 7.278 -11.535 -5.574 117 HB2 SER 16 2HB SER 16 4.327 -11.068 -5.691 118 HB3 SER 16 1HB SER 16 5.328 -10.268 -6.900 119 HG SER 16 HG SER 16 5.009 -13.023 -6.365 120 H VAL 17 H VAL 17 5.035 -9.228 -3.996 121 HA VAL 17 HA VAL 17 6.328 -6.841 -4.893 122 HB VAL 17 HB VAL 17 4.777 -7.413 -2.344 123 HG11 VAL 17 1HG1 VAL 17 5.883 -5.235 -2.288 124 HG12 VAL 17 2HG1 VAL 17 4.154 -5.004 -2.550 125 HG13 VAL 17 3HG1 VAL 17 5.278 -4.858 -3.902 126 HG21 VAL 17 3HG2 VAL 17 4.019 -7.459 -5.136 127 HG22 VAL 17 1HG2 VAL 17 3.168 -6.160 -4.300 128 HG23 VAL 17 2HG2 VAL 17 3.035 -7.819 -3.718 129 H TRP 18 H TRP 18 6.866 -8.894 -2.031 130 HA TRP 18 HA TRP 18 8.669 -7.227 -0.611 131 HB2 TRP 18 2HB TRP 18 7.586 -9.437 0.053 132 HB3 TRP 18 1HB TRP 18 8.824 -10.239 -0.914 133 HD1 TRP 18 HD TRP 18 9.279 -7.173 1.370 134 HE1 TRP 18 1HE TRP 18 11.063 -7.737 3.144 135 HE3 TRP 18 3HE TRP 18 10.122 -12.079 0.238 136 HZ2 TRP 18 2HZ TRP 18 12.641 -9.976 3.972 137 HZ3 TRP 18 3HZ TRP 18 11.770 -13.403 1.534 138 HH2 TRP 18 HH TRP 18 13.028 -12.358 3.396 139 H ALA 19 H ALA 19 9.515 -9.911 -2.832 140 HA ALA 19 HA ALA 19 12.278 -9.500 -2.998 141 HB1 ALA 19 1HB ALA 19 11.970 -10.533 -5.296 142 HB2 ALA 19 2HB ALA 19 10.231 -10.353 -5.064 143 HB3 ALA 19 3HB ALA 19 11.160 -11.400 -3.991 144 H TYR 20 H TYR 20 9.694 -7.851 -4.793 145 HA TYR 20 HA TYR 20 11.274 -6.356 -6.616 146 HB2 TYR 20 2HB TYR 20 8.862 -6.483 -6.756 147 HB3 TYR 20 1HB TYR 20 8.683 -5.771 -5.155 148 HD1 TYR 20 1HD TYR 20 11.219 -4.634 -7.580 149 HD2 TYR 20 2HD TYR 20 7.350 -3.870 -5.879 150 HE1 TYR 20 1HE TYR 20 11.229 -2.364 -8.579 151 HE2 TYR 20 2HE TYR 20 7.358 -1.600 -6.878 152 HH TYR 20 HH TYR 20 8.632 -0.048 -7.897 153 H LEU 21 H LEU 21 9.821 -5.063 -3.624 154 HA LEU 21 HA LEU 21 11.143 -2.663 -3.358 155 HB2 LEU 21 2HB LEU 21 9.465 -4.031 -1.864 156 HB3 LEU 21 1HB LEU 21 10.924 -4.542 -1.021 157 HG LEU 21 HG LEU 21 10.300 -1.631 -1.557 158 HD11 LEU 21 1HD1 LEU 21 9.343 -1.481 0.649 159 HD12 LEU 21 2HD1 LEU 21 9.753 -3.160 1.001 160 HD13 LEU 21 3HD1 LEU 21 8.508 -2.788 -0.191 161 HD21 LEU 21 3HD2 LEU 21 12.035 -2.958 0.548 162 HD22 LEU 21 1HD2 LEU 21 11.943 -1.236 0.181 163 HD23 LEU 21 2HD2 LEU 21 12.655 -2.348 -0.986 164 H VAL 22 H VAL 22 12.433 -5.857 -2.386 165 HA VAL 22 HA VAL 22 14.893 -5.029 -1.276 166 HB VAL 22 HB VAL 22 14.120 -7.454 -2.925 167 HG11 VAL 22 1HG1 VAL 22 16.661 -6.656 -1.639 168 HG12 VAL 22 2HG1 VAL 22 16.370 -7.822 -2.930 169 HG13 VAL 22 3HG1 VAL 22 16.110 -8.284 -1.248 170 HG21 VAL 22 3HG2 VAL 22 14.368 -7.090 0.077 171 HG22 VAL 22 1HG2 VAL 22 13.748 -8.508 -0.769 172 HG23 VAL 22 2HG2 VAL 22 12.842 -6.994 -0.803 173 H ALA 23 H ALA 23 14.152 -5.859 -4.666 174 HA ALA 23 HA ALA 23 16.704 -5.436 -5.792 175 HB1 ALA 23 1HB ALA 23 14.782 -6.428 -6.952 176 HB2 ALA 23 2HB ALA 23 15.379 -5.046 -7.873 177 HB3 ALA 23 3HB ALA 23 13.925 -4.888 -6.886 178 H LEU 24 H LEU 24 14.056 -3.085 -5.277 179 HA LEU 24 HA LEU 24 15.313 -0.813 -6.423 180 HB2 LEU 24 2HB LEU 24 12.912 -1.347 -5.434 181 HB3 LEU 24 1HB LEU 24 13.594 -0.639 -3.970 182 HG LEU 24 HG LEU 24 14.373 1.280 -5.573 183 HD11 LEU 24 1HD1 LEU 24 12.644 -0.387 -7.271 184 HD12 LEU 24 2HD1 LEU 24 13.817 0.849 -7.730 185 HD13 LEU 24 3HD1 LEU 24 12.184 1.315 -7.250 186 HD21 LEU 24 3HD2 LEU 24 12.649 2.484 -4.683 187 HD22 LEU 24 1HD2 LEU 24 12.293 0.984 -3.828 188 HD23 LEU 24 2HD2 LEU 24 11.426 1.379 -5.312 189 H VAL 25 H VAL 25 15.442 -2.121 -3.114 190 HA VAL 25 HA VAL 25 17.771 -0.308 -2.584 191 HB VAL 25 HB VAL 25 16.074 0.584 -1.248 192 HG11 VAL 25 1HG1 VAL 25 14.162 -0.657 -1.497 193 HG12 VAL 25 2HG1 VAL 25 14.619 -1.228 0.108 194 HG13 VAL 25 3HG1 VAL 25 15.008 -2.194 -1.315 195 HG21 VAL 25 3HG2 VAL 25 18.053 -0.864 0.052 196 HG22 VAL 25 1HG2 VAL 25 16.573 -1.373 0.864 197 HG23 VAL 25 2HG2 VAL 25 16.998 0.338 0.792 198 H GLY 26 H GLY 26 16.510 -2.771 -0.388 199 HA2 GLY 26 2HA GLY 26 18.120 -4.966 -1.139 200 HA3 GLY 26 1HA GLY 26 19.066 -3.985 -0.018 201 H ALA 27 H ALA 27 18.268 -6.581 0.684 202 HA ALA 27 HA ALA 27 15.824 -6.802 2.104 203 HB1 ALA 27 1HB ALA 27 17.770 -8.473 1.452 204 HB2 ALA 27 2HB ALA 27 16.766 -8.797 2.865 205 HB3 ALA 27 3HB ALA 27 18.364 -8.080 3.065 206 H ALA 28 H ALA 28 18.729 -5.054 2.906 207 HA ALA 28 HA ALA 28 18.356 -4.993 5.765 208 HB1 ALA 28 1HB ALA 28 20.053 -3.783 3.681 209 HB2 ALA 28 2HB ALA 28 20.495 -4.361 5.287 210 HB3 ALA 28 3HB ALA 28 19.803 -2.751 5.089 211 H ALA 29 H ALA 29 17.962 -2.357 3.368 212 HA ALA 29 HA ALA 29 16.439 -0.671 5.115 213 HB1 ALA 29 1HB ALA 29 15.821 -0.399 2.276 214 HB2 ALA 29 2HB ALA 29 17.552 -0.614 2.540 215 HB3 ALA 29 3HB ALA 29 16.696 0.710 3.331 216 H VAL 30 H VAL 30 15.609 -3.453 3.198 217 HA VAL 30 HA VAL 30 12.770 -2.946 2.961 218 HB VAL 30 HB VAL 30 14.586 -5.358 2.788 219 HG11 VAL 30 1HG1 VAL 30 12.689 -6.679 2.034 220 HG12 VAL 30 2HG1 VAL 30 11.612 -5.292 2.200 221 HG13 VAL 30 3HG1 VAL 30 12.324 -6.033 3.633 222 HG21 VAL 30 3HG2 VAL 30 13.999 -3.293 1.027 223 HG22 VAL 30 1HG2 VAL 30 12.930 -4.591 0.496 224 HG23 VAL 30 2HG2 VAL 30 14.670 -4.861 0.579 225 H THR 31 H THR 31 14.849 -4.502 5.375 226 HA THR 31 HA THR 31 12.551 -5.465 6.957 227 HB THR 31 HB THR 31 15.555 -5.395 7.409 228 HG1 THR 31 1HG THR 31 15.457 -7.496 6.717 229 HG21 THR 31 3HG2 THR 31 13.387 -6.902 8.899 230 HG22 THR 31 1HG2 THR 31 14.293 -5.527 9.529 231 HG23 THR 31 2HG2 THR 31 15.121 -7.045 9.182 232 H ALA 32 H ALA 32 14.741 -2.723 6.879 233 HA ALA 32 HA ALA 32 14.103 -1.794 9.581 234 HB1 ALA 32 1HB ALA 32 15.714 -0.185 9.098 235 HB2 ALA 32 2HB ALA 32 15.217 -0.052 7.411 236 HB3 ALA 32 3HB ALA 32 16.174 -1.435 7.942 237 H ALA 33 H ALA 33 12.687 -1.532 6.433 238 HA ALA 33 HA ALA 33 11.173 0.926 7.060 239 HB1 ALA 33 1HB ALA 33 10.156 -0.101 4.737 240 HB2 ALA 33 2HB ALA 33 11.758 -0.838 4.754 241 HB3 ALA 33 3HB ALA 33 11.595 0.917 4.810 242 H ASN 34 H ASN 34 10.841 -1.752 8.550 243 HA ASN 34 HA ASN 34 9.068 -3.139 9.298 244 HB2 ASN 34 2HB ASN 34 8.634 -0.879 10.234 245 HB3 ASN 34 1HB ASN 34 7.665 -0.492 8.813 246 HD21 ASN 34 1HD2 ASN 34 6.212 -0.298 11.067 247 HD22 ASN 34 2HD2 ASN 34 5.223 -1.654 11.316 248 H ILE 35 H ILE 35 9.261 -4.249 7.061 249 HA ILE 35 HA ILE 35 6.694 -3.899 5.543 250 HB ILE 35 HB ILE 35 9.493 -4.673 4.660 251 HG12 ILE 35 2HG1 ILE 35 7.774 -2.426 3.610 252 HG13 ILE 35 1HG1 ILE 35 8.753 -2.209 5.062 253 HG21 ILE 35 1HG2 ILE 35 8.596 -4.970 2.433 254 HG22 ILE 35 2HG2 ILE 35 6.991 -4.465 2.961 255 HG23 ILE 35 3HG2 ILE 35 7.665 -5.993 3.527 256 HD11 ILE 35 3HD1 ILE 35 9.653 -1.847 2.478 257 HD12 ILE 35 1HD1 ILE 35 10.214 -3.476 2.852 258 HD13 ILE 35 2HD1 ILE 35 10.685 -2.123 3.880 259 H ARG 36 H ARG 36 5.396 -5.607 6.136 260 HA ARG 36 HA ARG 36 6.630 -8.213 6.845 261 HB2 ARG 36 2HB ARG 36 3.864 -6.998 7.048 262 HB3 ARG 36 1HB ARG 36 4.212 -8.661 7.518 263 HG2 ARG 36 2HG ARG 36 6.141 -6.792 8.651 264 HG3 ARG 36 1HG ARG 36 4.489 -6.407 9.137 265 HD2 ARG 36 2HD ARG 36 4.567 -9.173 9.371 266 HD3 ARG 36 1HD ARG 36 6.168 -8.668 9.945 267 HE ARG 36 HE ARG 36 3.651 -7.410 10.973 268 HH11 ARG 36 1HH2 ARG 36 4.722 -9.760 12.499 269 HH12 ARG 36 2HH2 ARG 36 5.726 -8.993 13.685 270 HH21 ARG 36 1HH1 ARG 36 5.847 -5.961 12.006 271 HH22 ARG 36 2HH1 ARG 36 6.362 -6.842 13.406 272 H ARG 37 H ARG 37 6.092 -10.146 5.736 273 HA ARG 37 HA ARG 37 5.272 -9.791 2.916 274 HB2 ARG 37 2HB ARG 37 6.767 -11.687 4.600 275 HB3 ARG 37 1HB ARG 37 5.762 -12.472 3.383 276 HG2 ARG 37 2HG ARG 37 6.906 -10.368 1.986 277 HG3 ARG 37 1HG ARG 37 8.213 -10.908 3.042 278 HD2 ARG 37 2HD ARG 37 6.665 -12.557 1.021 279 HD3 ARG 37 1HD ARG 37 8.416 -12.270 1.086 280 HE ARG 37 HE ARG 37 6.899 -14.088 2.861 281 HH11 ARG 37 1HH2 ARG 37 9.391 -14.922 1.450 282 HH12 ARG 37 2HH2 ARG 37 10.580 -14.824 2.706 283 HH21 ARG 37 1HH1 ARG 37 8.609 -12.868 4.783 284 HH22 ARG 37 2HH1 ARG 37 10.137 -13.662 4.593 285 H ALA 38 H ALA 38 3.570 -11.189 1.997 286 HA ALA 38 HA ALA 38 1.567 -12.148 4.011 287 HB1 ALA 38 1HB ALA 38 0.233 -11.169 1.705 288 HB2 ALA 38 2HB ALA 38 1.450 -9.964 2.126 289 HB3 ALA 38 3HB ALA 38 0.244 -10.452 3.317 290 H SER 39 H SER 39 0.217 -13.903 3.216 291 HA SER 39 HA SER 39 1.385 -15.982 1.828 292 HB2 SER 39 2HB SER 39 -1.406 -15.016 2.262 293 HB3 SER 39 1HB SER 39 -1.181 -16.335 1.118 294 HG SER 39 HG SER 39 -1.387 -16.643 3.616 295 H SER 40 H SER 40 -0.001 -13.065 0.461 296 HA SER 40 HA SER 40 1.277 -13.477 -2.097 297 HB2 SER 40 2HB SER 40 -1.571 -14.304 -1.657 298 HB3 SER 40 1HB SER 40 -1.132 -13.604 -3.212 299 HG SER 40 HG SER 40 -0.250 -15.441 -3.684 300 H ASP 41 H ASP 41 -0.149 -11.890 -3.755 301 HA ASP 41 HA ASP 41 0.259 -9.243 -2.829 302 HB2 ASP 41 2HB ASP 41 -1.352 -10.543 -5.022 303 HB3 ASP 41 1HB ASP 41 -1.368 -8.791 -4.821 304 H ASN 42 H ASN 42 -2.333 -11.438 -2.201 305 HA ASN 42 HA ASN 42 -4.263 -9.310 -1.494 306 HB2 ASN 42 2HB ASN 42 -5.120 -11.248 -2.608 307 HB3 ASN 42 1HB ASN 42 -4.247 -12.337 -1.530 308 HD21 ASN 42 1HD2 ASN 42 -5.744 -9.534 -0.071 309 HD22 ASN 42 2HD2 ASN 42 -7.045 -10.357 0.645 310 H HIS 43 H HIS 43 -3.779 -8.318 0.463 311 HA HIS 43 HA HIS 43 -3.631 -10.046 2.861 312 HB2 HIS 43 2HB HIS 43 -1.583 -8.599 3.558 313 HB3 HIS 43 1HB HIS 43 -1.323 -9.907 2.408 314 HD1 HIS 43 1HD HIS 43 -1.368 -6.172 2.692 315 HD2 HIS 43 2HD HIS 43 -0.792 -9.049 -0.269 316 HE1 HIS 43 1HE HIS 43 -0.330 -4.965 0.713 317 H SER 44 H SER 44 -3.372 -8.414 4.853 318 HA SER 44 HA SER 44 -5.603 -6.526 4.626 319 HB2 SER 44 2HB SER 44 -4.483 -8.111 6.590 320 HB3 SER 44 1HB SER 44 -3.930 -6.504 7.047 321 HG SER 44 HG SER 44 -6.026 -5.822 7.151 322 H CYS 45 H CYS 45 -5.418 -4.248 4.848 323 HA CYS 45 HA CYS 45 -2.660 -3.110 4.912 324 HB2 CYS 45 2HB CYS 45 -3.402 -1.644 2.973 325 HB3 CYS 45 1HB CYS 45 -3.182 -3.342 2.582 326 H ALA 46 H ALA 46 -3.026 -0.539 4.825 327 HA ALA 46 HA ALA 46 -3.724 1.281 6.183 328 HB1 ALA 46 1HB ALA 46 -5.584 1.598 4.880 329 HB2 ALA 46 2HB ALA 46 -6.444 0.986 6.293 330 HB3 ALA 46 3HB ALA 46 -6.044 -0.102 4.963 331 H GLY 47 H GLY 47 -2.834 -0.990 7.655 332 HA2 GLY 47 2HA GLY 47 -2.881 -1.804 9.857 333 HA3 GLY 47 1HA GLY 47 -4.000 -0.489 10.233 334 H ASN 48 H ASN 48 -5.294 -2.001 11.507 335 HA ASN 48 HA ASN 48 -6.537 -4.276 10.150 336 HB2 ASN 48 2HB ASN 48 -5.831 -4.081 12.607 337 HB3 ASN 48 1HB ASN 48 -7.233 -3.031 12.819 338 HD21 ASN 48 1HD2 ASN 48 -6.829 -5.740 14.001 339 HD22 ASN 48 2HD2 ASN 48 -8.116 -6.691 13.433 340 H ARG 49 H ARG 49 -7.085 -1.801 8.818 341 HA ARG 49 HA ARG 49 -9.958 -1.343 9.498 342 HB2 ARG 49 2HB ARG 49 -7.700 0.390 8.528 343 HB3 ARG 49 1HB ARG 49 -9.371 0.872 8.250 344 HG2 ARG 49 2HG ARG 49 -9.214 0.022 10.948 345 HG3 ARG 49 1HG ARG 49 -7.829 1.079 10.667 346 HD2 ARG 49 2HD ARG 49 -9.199 2.877 10.772 347 HD3 ARG 49 1HD ARG 49 -10.113 2.251 9.385 348 HE ARG 49 HE ARG 49 -11.369 0.825 11.082 349 HH11 ARG 49 1HH2 ARG 49 -9.214 2.704 12.787 350 HH12 ARG 49 2HH2 ARG 49 -10.384 3.430 13.836 351 HH21 ARG 49 1HH1 ARG 49 -13.111 2.189 12.091 352 HH22 ARG 49 2HH1 ARG 49 -12.590 3.139 13.443 353 H GLY 50 H GLY 50 -7.617 -1.791 6.841 354 HA2 GLY 50 2HA GLY 50 -9.976 -2.318 5.070 355 HA3 GLY 50 1HA GLY 50 -8.568 -1.434 4.486 356 H TRP 51 H TRP 51 -9.254 -3.626 3.075 357 HA TRP 51 HA TRP 51 -7.089 -5.580 3.749 358 HB2 TRP 51 2HB TRP 51 -10.027 -5.927 3.498 359 HB3 TRP 51 1HB TRP 51 -9.053 -7.141 2.674 360 HD1 TRP 51 HD TRP 51 -10.367 -6.235 6.000 361 HE1 TRP 51 1HE TRP 51 -9.318 -7.721 7.827 362 HE3 TRP 51 3HE TRP 51 -6.571 -8.366 3.330 363 HZ2 TRP 51 2HZ TRP 51 -7.154 -9.570 8.117 364 HZ3 TRP 51 3HZ TRP 51 -5.032 -9.983 4.406 365 HH2 TRP 51 HH TRP 51 -5.318 -10.588 6.792 366 H CYS 52 H CYS 52 -6.915 -7.119 1.634 367 HA CYS 52 HA CYS 52 -6.969 -5.267 -0.727 368 HB2 CYS 52 2HB CYS 52 -4.797 -6.220 0.330 369 HB3 CYS 52 1HB CYS 52 -5.286 -7.749 -0.400 370 H ARG 53 H ARG 53 -8.546 -5.792 -2.169 371 HA ARG 53 HA ARG 53 -9.164 -8.695 -2.624 372 HB2 ARG 53 2HB ARG 53 -11.150 -6.407 -2.712 373 HB3 ARG 53 1HB ARG 53 -11.500 -8.130 -2.665 374 HG2 ARG 53 2HG ARG 53 -11.607 -8.008 -0.425 375 HG3 ARG 53 1HG ARG 53 -9.896 -7.584 -0.398 376 HD2 ARG 53 2HD ARG 53 -10.630 -5.174 -0.885 377 HD3 ARG 53 1HD ARG 53 -12.272 -5.711 -0.478 378 HE ARG 53 HE ARG 53 -9.948 -5.766 1.394 379 HH11 ARG 53 1HH2 ARG 53 -12.087 -7.920 1.750 380 HH12 ARG 53 2HH2 ARG 53 -13.110 -7.176 2.932 381 HH21 ARG 53 1HH1 ARG 53 -11.790 -4.003 2.467 382 HH22 ARG 53 2HH1 ARG 53 -12.943 -4.958 3.338 383 H SER 54 H SER 54 -9.947 -9.118 -4.848 384 HA SER 54 HA SER 54 -8.493 -7.869 -6.916 385 HB2 SER 54 2HB SER 54 -9.632 -9.395 -8.207 386 HB3 SER 54 1HB SER 54 -10.154 -10.009 -6.640 387 HG SER 54 HG SER 54 -12.059 -9.608 -7.479 388 H LYS 55 H LYS 55 -11.850 -7.307 -5.895 389 HA LYS 55 HA LYS 55 -11.692 -4.560 -7.050 390 HB2 LYS 55 2HB LYS 55 -13.039 -5.411 -8.681 391 HB3 LYS 55 1HB LYS 55 -13.345 -6.883 -7.771 392 HG2 LYS 55 2HG LYS 55 -14.972 -5.602 -6.360 393 HG3 LYS 55 1HG LYS 55 -14.756 -4.221 -7.437 394 HD2 LYS 55 2HD LYS 55 -16.393 -5.108 -8.714 395 HD3 LYS 55 1HD LYS 55 -15.235 -6.358 -9.166 396 HE2 LYS 55 2HE LYS 55 -15.995 -7.468 -6.885 397 HE3 LYS 55 1HE LYS 55 -17.447 -6.480 -7.141 398 HZ1 LYS 55 3HZ LYS 55 -17.251 -8.808 -8.268 399 HZ2 LYS 55 1HZ LYS 55 -16.308 -7.970 -9.402 400 HZ3 LYS 55 2HZ LYS 55 -17.918 -7.501 -9.123 401 H CYS 56 H CYS 56 -12.697 -3.015 -5.702 402 HA CYS 56 HA CYS 56 -13.346 -3.840 -2.977 403 HB2 CYS 56 2HB CYS 56 -13.764 -1.150 -4.304 404 HB3 CYS 56 1HB CYS 56 -13.471 -1.471 -2.596 405 H PHE 57 H PHE 57 -15.444 -3.354 -1.944 406 HA PHE 57 HA PHE 57 -17.704 -4.146 -3.630 407 HB2 PHE 57 2HB PHE 57 -17.122 -3.624 -0.737 408 HB3 PHE 57 1HB PHE 57 -18.806 -3.672 -1.257 409 HD1 PHE 57 1HD PHE 57 -15.821 -5.591 -2.447 410 HD2 PHE 57 2HD PHE 57 -19.682 -5.740 -0.571 411 HE1 PHE 57 1HE PHE 57 -15.742 -8.069 -2.484 412 HE2 PHE 57 2HE PHE 57 -19.603 -8.218 -0.608 413 HZ PHE 57 HZ PHE 57 -17.634 -9.383 -1.564 414 H ARG 58 H ARG 58 -19.843 -2.748 -2.773 415 HA ARG 58 HA ARG 58 -19.558 -0.186 -4.097 416 HB2 ARG 58 2HB ARG 58 -21.535 -1.941 -3.890 417 HB3 ARG 58 1HB ARG 58 -21.940 -0.985 -2.464 418 HG2 ARG 58 2HG ARG 58 -22.652 0.775 -3.705 419 HG3 ARG 58 1HG ARG 58 -21.302 0.639 -4.831 420 HD2 ARG 58 2HD ARG 58 -22.831 -1.646 -5.344 421 HD3 ARG 58 1HD ARG 58 -24.028 -0.355 -5.119 422 HE ARG 58 HE ARG 58 -22.730 0.977 -6.803 423 HH11 ARG 58 1HH1 ARG 58 -21.242 -2.014 -6.313 424 HH12 ARG 58 2HH1 ARG 58 -21.026 -2.369 -7.994 425 HH21 ARG 58 1HH2 ARG 58 -22.871 0.357 -9.082 426 HH22 ARG 58 2HH2 ARG 58 -21.947 -1.027 -9.561 427 H HIS 59 H HIS 59 -20.156 -1.227 -0.741 428 HA HIS 59 HA HIS 59 -20.225 1.506 0.284 429 HB2 HIS 59 2HB HIS 59 -20.815 -1.148 1.127 430 HB3 HIS 59 1HB HIS 59 -19.628 -0.502 2.261 431 HD1 HIS 59 1HD HIS 59 -22.053 1.786 0.541 432 HD2 HIS 59 2HD HIS 59 -21.606 -0.030 4.267 433 HE1 HIS 59 1HE HIS 59 -23.732 2.890 2.082 434 H GLU 60 H GLU 60 -17.737 -0.217 -1.006 435 HA GLU 60 HA GLU 60 -15.727 1.045 0.827 436 HB2 GLU 60 2HB GLU 60 -16.048 -1.715 -0.288 437 HB3 GLU 60 1HB GLU 60 -14.412 -1.098 -0.073 438 HG2 GLU 60 2HG GLU 60 -14.670 -0.865 2.255 439 HG3 GLU 60 1HG GLU 60 -16.430 -0.886 2.152 440 H TYR 61 H TYR 61 -13.636 1.504 -0.326 441 HA TYR 61 HA TYR 61 -14.006 1.823 -3.287 442 HB2 TYR 61 2HB TYR 61 -12.892 4.006 -3.065 443 HB3 TYR 61 1HB TYR 61 -14.328 3.945 -2.055 444 HD1 TYR 61 1HD TYR 61 -14.021 3.290 0.426 445 HD2 TYR 61 2HD TYR 61 -10.775 4.481 -2.126 446 HE1 TYR 61 1HE TYR 61 -12.639 3.789 2.421 447 HE2 TYR 61 2HE TYR 61 -9.395 4.981 -0.128 448 HH TYR 61 HH TYR 61 -10.019 5.646 2.420 449 H VAL 62 H VAL 62 -11.711 2.547 -4.173 450 HA VAL 62 HA VAL 62 -9.824 0.390 -3.401 451 HB VAL 62 HB VAL 62 -10.072 2.369 -5.681 452 HG11 VAL 62 1HG1 VAL 62 -8.081 0.403 -6.225 453 HG12 VAL 62 2HG1 VAL 62 -7.678 1.147 -4.677 454 HG13 VAL 62 3HG1 VAL 62 -7.874 2.152 -6.114 455 HG21 VAL 62 3HG2 VAL 62 -9.992 -0.658 -5.715 456 HG22 VAL 62 1HG2 VAL 62 -10.531 0.423 -7.000 457 HG23 VAL 62 2HG2 VAL 62 -11.495 0.248 -5.532 458 H ASP 63 H ASP 63 -8.970 1.224 -1.437 459 HA ASP 63 HA ASP 63 -8.116 3.833 -0.842 460 HB2 ASP 63 2HB ASP 63 -6.540 1.380 -0.053 461 HB3 ASP 63 1HB ASP 63 -6.883 2.812 0.913 462 H THR 64 H THR 64 -7.217 4.737 -2.793 463 HA THR 64 HA THR 64 -5.138 3.728 -4.387 464 HB THR 64 HB THR 64 -4.592 6.384 -4.319 465 HG1 THR 64 1HG THR 64 -6.583 7.408 -3.790 466 HG21 THR 64 3HG2 THR 64 -6.439 6.632 -5.988 467 HG22 THR 64 1HG2 THR 64 -7.027 5.037 -5.518 468 HG23 THR 64 2HG2 THR 64 -5.440 5.205 -6.269 469 H TYR 65 H TYR 65 -4.968 4.907 -1.111 470 HA TYR 65 HA TYR 65 -2.156 5.541 -1.043 471 HB2 TYR 65 2HB TYR 65 -4.035 6.204 0.552 472 HB3 TYR 65 1HB TYR 65 -3.911 4.580 1.227 473 HD1 TYR 65 1HD TYR 65 -1.840 3.834 2.356 474 HD2 TYR 65 2HD TYR 65 -2.309 7.860 0.932 475 HE1 TYR 65 1HE TYR 65 0.098 4.545 3.730 476 HE2 TYR 65 2HE TYR 65 -0.371 8.571 2.307 477 HH TYR 65 HH TYR 65 1.653 7.515 3.313 478 H TYR 66 H TYR 66 -3.903 2.689 0.275 479 HA TYR 66 HA TYR 66 -1.353 1.249 0.560 480 HB2 TYR 66 2HB TYR 66 -4.171 1.005 1.417 481 HB3 TYR 66 1HB TYR 66 -3.320 -0.525 1.185 482 HD1 TYR 66 1HD TYR 66 -1.278 -1.045 2.471 483 HD2 TYR 66 2HD TYR 66 -3.514 2.556 3.162 484 HE1 TYR 66 1HE TYR 66 -0.073 -0.708 4.613 485 HE2 TYR 66 2HE TYR 66 -2.312 2.892 5.305 486 HH TYR 66 HH TYR 66 -1.089 1.259 7.001 487 H SER 67 H SER 67 -3.451 1.715 -2.027 488 HA SER 67 HA SER 67 -3.812 -0.803 -3.218 489 HB2 SER 67 2HB SER 67 -4.314 0.498 -5.038 490 HB3 SER 67 1HB SER 67 -4.097 1.837 -3.916 491 HG SER 67 HG SER 67 -2.769 1.457 -6.083 492 H ALA 68 H ALA 68 -0.890 0.968 -2.583 493 HA ALA 68 HA ALA 68 0.881 -0.275 -4.461 494 HB1 ALA 68 1HB ALA 68 2.216 0.417 -2.043 495 HB2 ALA 68 2HB ALA 68 0.899 1.569 -2.261 496 HB3 ALA 68 3HB ALA 68 2.110 1.367 -3.525 497 H VAL 69 H VAL 69 0.980 -0.825 -0.914 498 HA VAL 69 HA VAL 69 2.423 -3.188 -0.890 499 HB VAL 69 HB VAL 69 1.510 -1.835 1.053 500 HG11 VAL 69 1HG1 VAL 69 -0.703 -2.931 1.928 501 HG12 VAL 69 2HG1 VAL 69 -0.971 -3.291 0.224 502 HG13 VAL 69 3HG1 VAL 69 -0.780 -1.620 0.753 503 HG21 VAL 69 3HG2 VAL 69 2.376 -3.577 2.168 504 HG22 VAL 69 1HG2 VAL 69 1.975 -4.665 0.843 505 HG23 VAL 69 2HG2 VAL 69 0.790 -4.345 2.106 506 H CYS 70 H CYS 70 -0.915 -2.757 -1.882 507 HA CYS 70 HA CYS 70 -1.766 -5.491 -1.796 508 HB2 CYS 70 2HB CYS 70 -2.553 -2.920 -3.009 509 HB3 CYS 70 1HB CYS 70 -3.105 -4.339 -3.902 510 H GLY 71 H GLY 71 -0.808 -3.622 -4.708 511 HA2 GLY 71 2HA GLY 71 0.802 -4.397 -6.347 512 HA3 GLY 71 1HA GLY 71 0.620 -6.032 -5.708 513 H ARG 72 H ARG 72 -0.656 -7.383 -6.878 514 HA ARG 72 HA ARG 72 -1.939 -6.584 -9.304 515 HB2 ARG 72 2HB ARG 72 -2.094 -8.994 -7.481 516 HB3 ARG 72 1HB ARG 72 -2.976 -8.923 -9.007 517 HG2 ARG 72 2HG ARG 72 -0.660 -8.243 -10.018 518 HG3 ARG 72 1HG ARG 72 -0.005 -8.957 -8.545 519 HD2 ARG 72 2HD ARG 72 -1.449 -11.022 -9.095 520 HD3 ARG 72 1HD ARG 72 -1.626 -10.309 -10.712 521 HE ARG 72 HE ARG 72 1.122 -10.530 -9.610 522 HH11 ARG 72 1HH1 ARG 72 0.561 -9.959 -12.498 523 HH12 ARG 72 2HH1 ARG 72 0.808 -11.510 -13.230 524 HH21 ARG 72 1HH2 ARG 72 0.627 -13.247 -10.236 525 HH22 ARG 72 2HH2 ARG 72 0.844 -13.370 -11.949 526 H TYR 73 H TYR 73 -3.354 -7.460 -6.124 527 HA TYR 73 HA TYR 73 -6.046 -6.654 -6.955 528 HB2 TYR 73 2HB TYR 73 -4.770 -7.394 -4.302 529 HB3 TYR 73 1HB TYR 73 -6.499 -7.133 -4.522 530 HD1 TYR 73 2HD TYR 73 -6.698 -8.345 -7.335 531 HD2 TYR 73 1HD TYR 73 -4.818 -9.712 -3.723 532 HE1 TYR 73 2HE TYR 73 -6.951 -10.691 -8.090 533 HE2 TYR 73 1HE TYR 73 -5.072 -12.059 -4.477 534 HH TYR 73 HH TYR 73 -6.222 -13.392 -5.974 535 H PHE 74 H PHE 74 -7.096 -5.184 -4.989 536 HA PHE 74 HA PHE 74 -5.374 -2.736 -4.761 537 HB2 PHE 74 2HB PHE 74 -8.381 -2.823 -5.135 538 HB3 PHE 74 1HB PHE 74 -7.321 -1.423 -5.292 539 HD1 PHE 74 1HD PHE 74 -5.302 -1.806 -7.036 540 HD2 PHE 74 2HD PHE 74 -9.075 -3.856 -7.091 541 HE1 PHE 74 1HE PHE 74 -4.995 -2.308 -9.444 542 HE2 PHE 74 2HE PHE 74 -8.769 -4.360 -9.497 543 HZ PHE 74 HZ PHE 74 -6.728 -3.586 -10.677 544 H CYS 75 H CYS 75 -5.386 -1.791 -2.708 545 HA CYS 75 HA CYS 75 -6.605 -3.304 -0.510 546 HB2 CYS 75 2HB CYS 75 -4.442 -2.345 -0.137 547 HB3 CYS 75 1HB CYS 75 -4.940 -0.788 -0.795 548 H CYS 76 H CYS 76 -8.850 -3.040 -0.362 549 HA CYS 76 HA CYS 76 -9.988 -0.347 -0.883 550 HB2 CYS 76 2HB CYS 76 -11.424 -2.915 -0.216 551 HB3 CYS 76 1HB CYS 76 -12.060 -1.521 -1.081 552 H ARG 77 H ARG 77 -11.473 0.593 0.648 553 HA ARG 77 HA ARG 77 -11.324 -0.414 3.460 554 HB2 ARG 77 2HB ARG 77 -10.238 2.129 2.321 555 HB3 ARG 77 1HB ARG 77 -11.011 2.221 3.897 556 HG2 ARG 77 2HG ARG 77 -9.424 0.882 4.911 557 HG3 ARG 77 1HG ARG 77 -9.019 0.038 3.420 558 HD2 ARG 77 2HD ARG 77 -7.161 1.405 3.517 559 HD3 ARG 77 1HD ARG 77 -8.264 2.583 2.776 560 HE ARG 77 HE ARG 77 -8.821 2.837 5.456 561 HH11 ARG 77 1HH2 ARG 77 -6.852 4.377 3.389 562 HH12 ARG 77 2HH2 ARG 77 -5.601 4.781 4.517 563 HH21 ARG 77 1HH1 ARG 77 -6.809 2.696 7.009 564 HH22 ARG 77 2HH1 ARG 77 -5.577 3.831 6.567 565 H SER 78 H SER 78 -12.738 1.383 4.793 566 HA SER 78 HA SER 78 -15.303 1.627 3.260 567 HB2 SER 78 2HB SER 78 -16.349 1.429 5.473 568 HB3 SER 78 1HB SER 78 -15.209 0.106 5.241 569 HG SER 78 HG SER 78 -15.086 2.327 6.918 570 H ARG 79 H ARG 79 -14.964 3.744 2.405 571 HA ARG 79 HA ARG 79 -13.968 5.968 3.938 572 HB2 ARG 79 2HB ARG 79 -14.071 5.693 1.430 573 HB3 ARG 79 1HB ARG 79 -15.813 5.952 1.530 574 HG2 ARG 79 2HG ARG 79 -15.217 8.138 1.216 575 HG3 ARG 79 1HG ARG 79 -14.954 8.082 2.959 576 HD2 ARG 79 2HD ARG 79 -12.666 8.144 2.746 577 HD3 ARG 79 1HD ARG 79 -12.680 7.177 1.257 578 HE ARG 79 HE ARG 79 -13.961 9.580 0.596 579 HH11 ARG 79 1HH1 ARG 79 -11.871 10.566 2.631 580 HH12 ARG 79 2HH1 ARG 79 -10.573 10.998 1.569 581 HH21 ARG 79 1HH2 ARG 79 -11.866 9.274 -1.146 582 HH22 ARG 79 2HH2 ARG 79 -10.570 10.267 -0.569 Start of MODEL 6 1 H1 ASN 1 1HT ASN 1 16.245 5.567 -8.830 2 H2 ASN 1 2HT ASN 1 15.545 4.101 -9.332 3 H3 ASN 1 3HT ASN 1 17.228 4.218 -9.127 4 HA ASN 1 HA ASN 1 15.866 3.077 -7.281 5 HB2 ASN 1 2HB ASN 1 17.490 4.193 -5.658 6 HB3 ASN 1 1HB ASN 1 18.220 3.545 -7.128 7 HD21 ASN 1 1HD2 ASN 1 17.470 6.507 -5.384 8 HD22 ASN 1 2HD2 ASN 1 18.263 7.560 -6.453 9 HA PRO 2 HA PRO 2 12.950 6.551 -6.381 10 HB2 PRO 2 2HB PRO 2 10.702 4.991 -6.330 11 HB3 PRO 2 1HB PRO 2 11.350 5.704 -7.821 12 HG2 PRO 2 2HG PRO 2 11.597 2.926 -6.791 13 HG3 PRO 2 1HG PRO 2 11.390 3.500 -8.452 14 HD2 PRO 2 2HD PRO 2 13.783 2.679 -7.411 15 HD3 PRO 2 1HD PRO 2 13.629 3.836 -8.751 16 H LEU 3 H LEU 3 13.381 6.934 -4.213 17 HA LEU 3 HA LEU 3 13.792 5.204 -2.104 18 HB2 LEU 3 2HB LEU 3 13.804 7.764 -2.224 19 HB3 LEU 3 1HB LEU 3 12.070 7.689 -1.912 20 HG LEU 3 HG LEU 3 13.502 7.999 0.154 21 HD11 LEU 3 1HD1 LEU 3 12.162 5.360 0.469 22 HD12 LEU 3 2HD1 LEU 3 11.174 6.681 -0.156 23 HD13 LEU 3 3HD1 LEU 3 11.970 6.839 1.410 24 HD21 LEU 3 3HD2 LEU 3 15.231 6.301 -0.823 25 HD22 LEU 3 1HD2 LEU 3 14.164 5.074 -0.140 26 HD23 LEU 3 2HD2 LEU 3 14.912 6.276 0.912 27 H ILE 4 H ILE 4 12.533 3.817 -0.878 28 HA ILE 4 HA ILE 4 10.155 2.679 -1.690 29 HB ILE 4 HB ILE 4 11.699 2.969 0.784 30 HG12 ILE 4 2HG1 ILE 4 11.410 0.600 0.872 31 HG13 ILE 4 1HG1 ILE 4 9.966 0.668 -0.138 32 HG21 ILE 4 1HG2 ILE 4 9.528 3.790 1.664 33 HG22 ILE 4 2HG2 ILE 4 9.935 2.207 2.327 34 HG23 ILE 4 3HG2 ILE 4 8.737 2.341 1.039 35 HD11 ILE 4 3HD1 ILE 4 12.561 0.207 -1.031 36 HD12 ILE 4 1HD1 ILE 4 12.272 1.897 -1.438 37 HD13 ILE 4 2HD1 ILE 4 11.183 0.647 -2.039 38 HA PRO 5 HA PRO 5 7.138 5.858 -1.195 39 HB2 PRO 5 2HB PRO 5 4.908 4.290 -1.399 40 HB3 PRO 5 1HB PRO 5 5.906 4.735 -2.793 41 HG2 PRO 5 2HG PRO 5 5.796 2.184 -1.285 42 HG3 PRO 5 1HG PRO 5 6.072 2.465 -3.009 43 HD2 PRO 5 2HD PRO 5 8.050 1.880 -1.177 44 HD3 PRO 5 1HD PRO 5 8.319 2.690 -2.734 45 H ALA 6 H ALA 6 5.388 6.414 0.338 46 HA ALA 6 HA ALA 6 5.969 5.759 3.049 47 HB1 ALA 6 1HB ALA 6 3.531 6.934 1.680 48 HB2 ALA 6 2HB ALA 6 4.886 7.827 2.372 49 HB3 ALA 6 3HB ALA 6 3.777 6.950 3.426 50 H ILE 7 H ILE 7 3.403 4.611 0.857 51 HA ILE 7 HA ILE 7 1.889 3.031 2.594 52 HB ILE 7 HB ILE 7 1.129 3.281 0.383 53 HG12 ILE 7 2HG1 ILE 7 0.833 1.066 -0.465 54 HG13 ILE 7 1HG1 ILE 7 2.345 0.516 0.254 55 HG21 ILE 7 1HG2 ILE 7 2.569 3.667 -1.296 56 HG22 ILE 7 2HG2 ILE 7 3.108 1.990 -1.232 57 HG23 ILE 7 3HG2 ILE 7 3.912 3.211 -0.252 58 HD11 ILE 7 3HD1 ILE 7 0.036 0.005 1.431 59 HD12 ILE 7 1HD1 ILE 7 0.235 1.643 2.052 60 HD13 ILE 7 2HD1 ILE 7 1.455 0.416 2.391 61 H TYR 8 H TYR 8 4.711 1.893 0.705 62 HA TYR 8 HA TYR 8 4.877 -0.724 1.678 63 HB2 TYR 8 2HB TYR 8 6.949 1.325 0.865 64 HB3 TYR 8 1HB TYR 8 7.372 -0.354 1.196 65 HD1 TYR 8 2HD TYR 8 4.045 -0.146 -0.024 66 HD2 TYR 8 1HD TYR 8 8.137 -0.099 -1.323 67 HE1 TYR 8 2HE TYR 8 3.323 -0.774 -2.304 68 HE2 TYR 8 1HE TYR 8 7.411 -0.733 -3.608 69 HH TYR 8 HH TYR 8 5.200 -2.051 -4.537 70 H ILE 9 H ILE 9 5.844 2.285 3.252 71 HA ILE 9 HA ILE 9 7.340 1.035 5.398 72 HB ILE 9 HB ILE 9 5.942 3.721 5.140 73 HG12 ILE 9 2HG1 ILE 9 8.812 2.873 4.629 74 HG13 ILE 9 1HG1 ILE 9 7.635 3.324 3.396 75 HG21 ILE 9 1HG2 ILE 9 6.422 3.814 7.365 76 HG22 ILE 9 2HG2 ILE 9 8.072 4.099 6.809 77 HG23 ILE 9 3HG2 ILE 9 7.566 2.474 7.272 78 HD11 ILE 9 3HD1 ILE 9 7.737 5.382 5.404 79 HD12 ILE 9 1HD1 ILE 9 8.115 5.503 3.686 80 HD13 ILE 9 2HD1 ILE 9 9.371 5.045 4.835 81 H GLY 10 H GLY 10 6.520 0.030 7.185 82 HA2 GLY 10 2HA GLY 10 4.954 -0.751 8.752 83 HA3 GLY 10 1HA GLY 10 4.145 0.808 8.562 84 H ALA 11 H ALA 11 4.743 -1.384 5.891 85 HA ALA 11 HA ALA 11 1.767 -1.758 5.650 86 HB1 ALA 11 1HB ALA 11 2.156 -0.811 3.636 87 HB2 ALA 11 2HB ALA 11 3.033 -2.275 3.194 88 HB3 ALA 11 3HB ALA 11 3.900 -0.900 3.876 89 H THR 12 H THR 12 1.821 -3.756 3.684 90 HA THR 12 HA THR 12 3.471 -6.002 4.696 91 HB THR 12 HB THR 12 0.505 -5.655 5.098 92 HG1 THR 12 1HG THR 12 1.035 -6.139 7.137 93 HG21 THR 12 3HG2 THR 12 2.010 -8.231 4.673 94 HG22 THR 12 1HG2 THR 12 0.469 -7.730 3.979 95 HG23 THR 12 2HG2 THR 12 0.564 -8.177 5.682 96 H VAL 13 H VAL 13 4.259 -6.287 2.539 97 HA VAL 13 HA VAL 13 2.274 -6.555 0.343 98 HB VAL 13 HB VAL 13 4.221 -6.400 -1.063 99 HG11 VAL 13 1HG1 VAL 13 3.736 -4.261 -0.114 100 HG12 VAL 13 2HG1 VAL 13 5.483 -4.455 0.003 101 HG13 VAL 13 3HG1 VAL 13 4.472 -4.699 1.426 102 HG21 VAL 13 3HG2 VAL 13 5.535 -8.102 0.248 103 HG22 VAL 13 1HG2 VAL 13 5.914 -6.834 1.414 104 HG23 VAL 13 2HG2 VAL 13 6.485 -6.702 -0.249 105 H GLY 14 H GLY 14 2.778 -8.479 -1.207 106 HA2 GLY 14 2HA GLY 14 2.714 -10.942 0.402 107 HA3 GLY 14 1HA GLY 14 2.403 -10.828 -1.330 108 HA PRO 15 HA PRO 15 6.606 -12.595 -0.846 109 HB2 PRO 15 2HB PRO 15 6.261 -14.569 -2.707 110 HB3 PRO 15 1HB PRO 15 5.791 -14.754 -1.006 111 HG2 PRO 15 2HG PRO 15 4.106 -14.184 -3.384 112 HG3 PRO 15 1HG PRO 15 3.750 -15.165 -1.955 113 HD2 PRO 15 2HD PRO 15 2.810 -12.615 -2.358 114 HD3 PRO 15 1HD PRO 15 2.995 -13.376 -0.763 115 H SER 16 H SER 16 4.761 -12.263 -3.904 116 HA SER 16 HA SER 16 7.063 -11.807 -5.572 117 HB2 SER 16 2HB SER 16 4.541 -12.435 -6.040 118 HB3 SER 16 1HB SER 16 4.327 -10.690 -6.124 119 HG SER 16 HG SER 16 5.818 -10.609 -7.773 120 H VAL 17 H VAL 17 4.663 -9.532 -4.179 121 HA VAL 17 HA VAL 17 5.811 -7.126 -5.137 122 HB VAL 17 HB VAL 17 4.412 -7.672 -2.498 123 HG11 VAL 17 1HG1 VAL 17 4.441 -5.179 -4.221 124 HG12 VAL 17 2HG1 VAL 17 5.465 -5.405 -2.804 125 HG13 VAL 17 3HG1 VAL 17 3.711 -5.357 -2.625 126 HG21 VAL 17 3HG2 VAL 17 2.703 -8.363 -3.815 127 HG22 VAL 17 1HG2 VAL 17 3.524 -7.827 -5.282 128 HG23 VAL 17 2HG2 VAL 17 2.568 -6.685 -4.338 129 H TRP 18 H TRP 18 6.430 -8.876 -2.075 130 HA TRP 18 HA TRP 18 8.257 -7.101 -0.881 131 HB2 TRP 18 2HB TRP 18 7.264 -9.307 -0.042 132 HB3 TRP 18 1HB TRP 18 8.533 -10.117 -0.960 133 HD1 TRP 18 HD TRP 18 8.839 -6.874 1.095 134 HE1 TRP 18 1HE TRP 18 10.664 -7.213 2.884 135 HE3 TRP 18 3HE TRP 18 9.952 -11.793 0.296 136 HZ2 TRP 18 2HZ TRP 18 12.372 -9.295 3.845 137 HZ3 TRP 18 3HZ TRP 18 11.681 -12.928 1.660 138 HH2 TRP 18 HH TRP 18 12.892 -11.687 3.432 139 H ALA 19 H ALA 19 9.168 -9.948 -2.861 140 HA ALA 19 HA ALA 19 11.880 -9.513 -3.185 141 HB1 ALA 19 1HB ALA 19 11.187 -10.344 -5.667 142 HB2 ALA 19 2HB ALA 19 9.665 -10.635 -4.824 143 HB3 ALA 19 3HB ALA 19 11.147 -11.410 -4.263 144 H TYR 20 H TYR 20 9.245 -7.853 -4.889 145 HA TYR 20 HA TYR 20 10.804 -6.399 -6.781 146 HB2 TYR 20 2HB TYR 20 8.265 -6.704 -6.542 147 HB3 TYR 20 1HB TYR 20 8.328 -5.410 -5.346 148 HD1 TYR 20 1HD TYR 20 9.725 -3.269 -6.119 149 HD2 TYR 20 2HD TYR 20 7.902 -6.114 -8.771 150 HE1 TYR 20 1HE TYR 20 9.734 -1.581 -7.935 151 HE2 TYR 20 2HE TYR 20 7.911 -4.426 -10.589 152 HH TYR 20 HH TYR 20 8.023 -2.066 -10.902 153 H LEU 21 H LEU 21 9.591 -5.342 -3.578 154 HA LEU 21 HA LEU 21 10.892 -2.825 -3.489 155 HB2 LEU 21 2HB LEU 21 9.133 -4.095 -1.968 156 HB3 LEU 21 1HB LEU 21 10.570 -4.557 -1.057 157 HG LEU 21 HG LEU 21 9.724 -1.724 -1.732 158 HD11 LEU 21 1HD1 LEU 21 9.224 -1.496 0.600 159 HD12 LEU 21 2HD1 LEU 21 9.957 -3.055 0.976 160 HD13 LEU 21 3HD1 LEU 21 8.443 -2.986 0.075 161 HD21 LEU 21 3HD2 LEU 21 11.638 -1.167 -0.158 162 HD22 LEU 21 1HD2 LEU 21 12.130 -1.833 -1.715 163 HD23 LEU 21 2HD2 LEU 21 12.131 -2.856 -0.279 164 H VAL 22 H VAL 22 11.980 -5.904 -1.994 165 HA VAL 22 HA VAL 22 14.450 -5.181 -0.984 166 HB VAL 22 HB VAL 22 13.634 -7.637 -2.562 167 HG11 VAL 22 1HG1 VAL 22 15.856 -8.119 -2.463 168 HG12 VAL 22 2HG1 VAL 22 15.529 -8.462 -0.764 169 HG13 VAL 22 3HG1 VAL 22 16.165 -6.887 -1.239 170 HG21 VAL 22 3HG2 VAL 22 12.314 -7.014 -0.497 171 HG22 VAL 22 1HG2 VAL 22 13.804 -7.185 0.431 172 HG23 VAL 22 2HG2 VAL 22 13.116 -8.581 -0.397 173 H ALA 23 H ALA 23 14.046 -6.478 -4.290 174 HA ALA 23 HA ALA 23 16.591 -6.001 -5.314 175 HB1 ALA 23 1HB ALA 23 15.507 -6.088 -7.453 176 HB2 ALA 23 2HB ALA 23 14.014 -5.420 -6.795 177 HB3 ALA 23 3HB ALA 23 14.510 -7.059 -6.371 178 H LEU 24 H LEU 24 13.901 -3.678 -5.040 179 HA LEU 24 HA LEU 24 15.099 -1.479 -6.374 180 HB2 LEU 24 2HB LEU 24 12.715 -2.005 -5.325 181 HB3 LEU 24 1HB LEU 24 13.381 -1.135 -3.943 182 HG LEU 24 HG LEU 24 13.881 0.796 -5.362 183 HD11 LEU 24 1HD1 LEU 24 13.425 -1.179 -7.457 184 HD12 LEU 24 2HD1 LEU 24 14.250 0.377 -7.550 185 HD13 LEU 24 3HD1 LEU 24 12.498 0.295 -7.738 186 HD21 LEU 24 3HD2 LEU 24 11.393 1.129 -6.227 187 HD22 LEU 24 1HD2 LEU 24 11.741 1.080 -4.499 188 HD23 LEU 24 2HD2 LEU 24 11.111 -0.352 -5.312 189 H VAL 25 H VAL 25 15.262 -2.493 -2.958 190 HA VAL 25 HA VAL 25 17.550 -0.586 -2.605 191 HB VAL 25 HB VAL 25 15.833 0.393 -1.362 192 HG11 VAL 25 1HG1 VAL 25 13.958 -0.922 -1.519 193 HG12 VAL 25 2HG1 VAL 25 14.396 -1.291 0.149 194 HG13 VAL 25 3HG1 VAL 25 14.833 -2.406 -1.145 195 HG21 VAL 25 3HG2 VAL 25 16.755 0.363 0.695 196 HG22 VAL 25 1HG2 VAL 25 17.838 -0.883 0.075 197 HG23 VAL 25 2HG2 VAL 25 16.364 -1.341 0.930 198 H GLY 26 H GLY 26 16.343 -2.854 -0.181 199 HA2 GLY 26 2HA GLY 26 18.002 -5.073 -0.727 200 HA3 GLY 26 1HA GLY 26 18.922 -3.970 0.298 201 H ALA 27 H ALA 27 18.241 -6.475 1.281 202 HA ALA 27 HA ALA 27 15.785 -6.654 2.694 203 HB1 ALA 27 1HB ALA 27 17.014 -8.363 3.990 204 HB2 ALA 27 2HB ALA 27 18.540 -7.732 3.368 205 HB3 ALA 27 3HB ALA 27 17.387 -8.493 2.272 206 H ALA 28 H ALA 28 18.591 -4.700 3.316 207 HA ALA 28 HA ALA 28 18.203 -4.391 6.163 208 HB1 ALA 28 1HB ALA 28 19.799 -2.499 5.800 209 HB2 ALA 28 2HB ALA 28 19.613 -2.719 4.060 210 HB3 ALA 28 3HB ALA 28 20.343 -3.993 5.036 211 H ALA 29 H ALA 29 17.756 -2.000 3.532 212 HA ALA 29 HA ALA 29 16.131 -0.224 5.086 213 HB1 ALA 29 1HB ALA 29 17.299 -0.356 2.541 214 HB2 ALA 29 2HB ALA 29 16.363 0.995 3.184 215 HB3 ALA 29 3HB ALA 29 15.567 -0.250 2.221 216 H VAL 30 H VAL 30 15.445 -3.206 3.433 217 HA VAL 30 HA VAL 30 12.586 -2.811 3.121 218 HB VAL 30 HB VAL 30 14.504 -5.147 3.093 219 HG11 VAL 30 1HG1 VAL 30 12.057 -5.967 1.968 220 HG12 VAL 30 2HG1 VAL 30 11.636 -5.213 3.505 221 HG13 VAL 30 3HG1 VAL 30 12.783 -6.553 3.465 222 HG21 VAL 30 3HG2 VAL 30 14.527 -4.815 0.845 223 HG22 VAL 30 1HG2 VAL 30 13.861 -3.226 1.220 224 HG23 VAL 30 2HG2 VAL 30 12.784 -4.552 0.780 225 H THR 31 H THR 31 14.698 -4.156 5.633 226 HA THR 31 HA THR 31 12.401 -5.061 7.258 227 HB THR 31 HB THR 31 15.352 -4.909 7.938 228 HG1 THR 31 1HG THR 31 15.634 -6.701 6.817 229 HG21 THR 31 3HG2 THR 31 14.724 -6.918 9.328 230 HG22 THR 31 1HG2 THR 31 13.038 -6.591 8.929 231 HG23 THR 31 2HG2 THR 31 13.970 -5.412 9.850 232 H ALA 32 H ALA 32 14.400 -2.251 6.902 233 HA ALA 32 HA ALA 32 13.869 -1.207 9.604 234 HB1 ALA 32 1HB ALA 32 15.665 -0.769 7.424 235 HB2 ALA 32 2HB ALA 32 15.726 -0.055 9.035 236 HB3 ALA 32 3HB ALA 32 14.833 0.753 7.747 237 H ALA 33 H ALA 33 12.436 -1.076 6.434 238 HA ALA 33 HA ALA 33 10.826 1.331 7.031 239 HB1 ALA 33 1HB ALA 33 11.554 -0.377 4.744 240 HB2 ALA 33 2HB ALA 33 11.201 1.351 4.783 241 HB3 ALA 33 3HB ALA 33 9.882 0.183 4.704 242 H ASN 34 H ASN 34 10.594 -1.342 8.537 243 HA ASN 34 HA ASN 34 8.884 -2.813 9.267 244 HB2 ASN 34 2HB ASN 34 8.372 -0.557 10.199 245 HB3 ASN 34 1HB ASN 34 7.353 -0.235 8.798 246 HD21 ASN 34 1HD2 ASN 34 6.839 -0.806 11.870 247 HD22 ASN 34 2HD2 ASN 34 5.554 -1.914 11.824 248 H ILE 35 H ILE 35 9.058 -3.995 7.126 249 HA ILE 35 HA ILE 35 6.529 -3.692 5.536 250 HB ILE 35 HB ILE 35 9.365 -4.412 4.744 251 HG12 ILE 35 2HG1 ILE 35 7.666 -2.356 3.390 252 HG13 ILE 35 1HG1 ILE 35 8.320 -1.965 4.981 253 HG21 ILE 35 1HG2 ILE 35 6.865 -5.283 3.592 254 HG22 ILE 35 2HG2 ILE 35 8.510 -5.667 3.083 255 HG23 ILE 35 3HG2 ILE 35 7.708 -4.224 2.461 256 HD11 ILE 35 3HD1 ILE 35 9.703 -1.500 2.734 257 HD12 ILE 35 1HD1 ILE 35 10.191 -3.174 2.999 258 HD13 ILE 35 2HD1 ILE 35 10.499 -1.958 4.240 259 H ARG 36 H ARG 36 5.247 -5.393 6.196 260 HA ARG 36 HA ARG 36 6.487 -7.966 6.989 261 HB2 ARG 36 2HB ARG 36 3.828 -6.598 7.207 262 HB3 ARG 36 1HB ARG 36 3.887 -8.352 7.372 263 HG2 ARG 36 2HG ARG 36 6.013 -7.067 8.888 264 HG3 ARG 36 1HG ARG 36 4.423 -6.488 9.383 265 HD2 ARG 36 2HD ARG 36 3.750 -9.008 9.399 266 HD3 ARG 36 1HD ARG 36 5.500 -9.305 9.448 267 HE ARG 36 HE ARG 36 3.911 -8.110 11.598 268 HH11 ARG 36 1HH2 ARG 36 6.183 -6.213 10.855 269 HH12 ARG 36 2HH2 ARG 36 7.430 -6.749 11.932 270 HH21 ARG 36 1HH1 ARG 36 5.867 -9.756 12.669 271 HH22 ARG 36 2HH1 ARG 36 7.251 -8.755 12.959 272 H ARG 37 H ARG 37 6.151 -9.899 5.846 273 HA ARG 37 HA ARG 37 5.401 -9.639 3.018 274 HB2 ARG 37 2HB ARG 37 6.823 -11.466 4.809 275 HB3 ARG 37 1HB ARG 37 5.807 -12.324 3.650 276 HG2 ARG 37 2HG ARG 37 6.972 -10.348 2.101 277 HG3 ARG 37 1HG ARG 37 8.274 -10.812 3.198 278 HD2 ARG 37 2HD ARG 37 6.665 -12.687 1.425 279 HD3 ARG 37 1HD ARG 37 8.382 -12.272 1.248 280 HE ARG 37 HE ARG 37 8.547 -13.213 3.686 281 HH11 ARG 37 1HH1 ARG 37 5.771 -14.181 3.900 282 HH12 ARG 37 2HH1 ARG 37 5.886 -15.821 3.354 283 HH21 ARG 37 1HH2 ARG 37 8.968 -15.375 1.828 284 HH22 ARG 37 2HH2 ARG 37 7.696 -16.497 2.181 285 H ALA 38 H ALA 38 3.803 -11.257 2.091 286 HA ALA 38 HA ALA 38 1.650 -12.004 4.027 287 HB1 ALA 38 1HB ALA 38 0.565 -11.034 1.537 288 HB2 ALA 38 2HB ALA 38 1.665 -9.829 2.205 289 HB3 ALA 38 3HB ALA 38 0.304 -10.408 3.166 290 H SER 39 H SER 39 0.140 -13.623 3.077 291 HA SER 39 HA SER 39 1.369 -15.834 1.875 292 HB2 SER 39 2HB SER 39 -1.367 -14.810 2.329 293 HB3 SER 39 1HB SER 39 -1.239 -16.035 1.070 294 HG SER 39 HG SER 39 -1.324 -17.291 2.787 295 H SER 40 H SER 40 -0.218 -13.073 0.318 296 HA SER 40 HA SER 40 1.224 -13.574 -2.181 297 HB2 SER 40 2HB SER 40 -1.793 -13.874 -2.091 298 HB3 SER 40 1HB SER 40 -0.759 -14.085 -3.502 299 HG SER 40 HG SER 40 -1.477 -15.985 -2.050 300 H ASP 41 H ASP 41 0.127 -11.986 -3.938 301 HA ASP 41 HA ASP 41 0.501 -9.336 -3.187 302 HB2 ASP 41 2HB ASP 41 -1.560 -10.363 -5.163 303 HB3 ASP 41 1HB ASP 41 -0.710 -8.820 -5.230 304 H ASN 42 H ASN 42 -2.381 -11.322 -2.738 305 HA ASN 42 HA ASN 42 -4.039 -9.052 -1.863 306 HB2 ASN 42 2HB ASN 42 -5.093 -10.851 -3.053 307 HB3 ASN 42 1HB ASN 42 -4.349 -12.061 -2.009 308 HD21 ASN 42 1HD2 ASN 42 -6.956 -12.459 -2.005 309 HD22 ASN 42 2HD2 ASN 42 -7.749 -11.767 -0.673 310 H HIS 43 H HIS 43 -3.514 -8.206 0.154 311 HA HIS 43 HA HIS 43 -3.412 -10.113 2.428 312 HB2 HIS 43 2HB HIS 43 -1.365 -8.690 3.216 313 HB3 HIS 43 1HB HIS 43 -1.116 -9.955 2.020 314 HD1 HIS 43 1HD HIS 43 -1.348 -6.194 2.345 315 HD2 HIS 43 2HD HIS 43 -0.318 -9.044 -0.516 316 HE1 HIS 43 1HE HIS 43 -0.187 -4.935 0.462 317 H SER 44 H SER 44 -3.230 -8.739 4.547 318 HA SER 44 HA SER 44 -5.421 -6.810 4.514 319 HB2 SER 44 2HB SER 44 -4.785 -6.741 6.986 320 HB3 SER 44 1HB SER 44 -5.189 -8.335 6.360 321 HG SER 44 HG SER 44 -2.809 -7.345 7.297 322 H CYS 45 H CYS 45 -5.158 -4.610 4.255 323 HA CYS 45 HA CYS 45 -2.408 -3.502 4.711 324 HB2 CYS 45 2HB CYS 45 -3.233 -1.786 2.950 325 HB3 CYS 45 1HB CYS 45 -2.794 -3.392 2.394 326 H ALA 46 H ALA 46 -2.482 -1.116 5.188 327 HA ALA 46 HA ALA 46 -3.153 0.600 6.680 328 HB1 ALA 46 1HB ALA 46 -5.575 1.135 6.457 329 HB2 ALA 46 2HB ALA 46 -5.830 -0.418 5.661 330 HB3 ALA 46 3HB ALA 46 -4.835 0.817 4.889 331 H GLY 47 H GLY 47 -2.504 -1.744 8.001 332 HA2 GLY 47 2HA GLY 47 -2.865 -2.914 10.006 333 HA3 GLY 47 1HA GLY 47 -3.838 -1.523 10.492 334 H ASN 48 H ASN 48 -5.470 -2.858 11.459 335 HA ASN 48 HA ASN 48 -6.836 -4.866 9.818 336 HB2 ASN 48 2HB ASN 48 -6.308 -4.816 12.381 337 HB3 ASN 48 1HB ASN 48 -7.747 -3.802 12.481 338 HD21 ASN 48 1HD2 ASN 48 -9.707 -4.907 12.632 339 HD22 ASN 48 2HD2 ASN 48 -9.937 -6.538 12.218 340 H ARG 49 H ARG 49 -6.923 -2.105 8.825 341 HA ARG 49 HA ARG 49 -9.804 -1.428 9.238 342 HB2 ARG 49 2HB ARG 49 -7.287 0.113 8.673 343 HB3 ARG 49 1HB ARG 49 -8.849 0.806 8.244 344 HG2 ARG 49 2HG ARG 49 -9.127 -0.254 10.858 345 HG3 ARG 49 1HG ARG 49 -7.609 0.645 10.836 346 HD2 ARG 49 2HD ARG 49 -8.916 2.547 9.705 347 HD3 ARG 49 1HD ARG 49 -10.383 1.668 10.181 348 HE ARG 49 HE ARG 49 -9.448 1.745 12.550 349 HH11 ARG 49 1HH2 ARG 49 -6.797 2.956 11.727 350 HH12 ARG 49 2HH2 ARG 49 -7.037 4.623 12.134 351 HH21 ARG 49 1HH1 ARG 49 -10.484 4.339 12.388 352 HH22 ARG 49 2HH1 ARG 49 -9.125 5.405 12.508 353 H GLY 50 H GLY 50 -7.284 -1.987 6.795 354 HA2 GLY 50 2HA GLY 50 -9.470 -2.046 4.753 355 HA3 GLY 50 1HA GLY 50 -7.898 -1.335 4.394 356 H TRP 51 H TRP 51 -8.795 -3.357 2.785 357 HA TRP 51 HA TRP 51 -6.894 -5.571 3.435 358 HB2 TRP 51 2HB TRP 51 -9.835 -5.595 3.260 359 HB3 TRP 51 1HB TRP 51 -9.065 -6.814 2.247 360 HD1 TRP 51 HD TRP 51 -10.150 -6.214 5.704 361 HE1 TRP 51 1HE TRP 51 -9.193 -8.011 7.286 362 HE3 TRP 51 3HE TRP 51 -6.649 -8.307 2.638 363 HZ2 TRP 51 2HZ TRP 51 -7.202 -10.066 7.254 364 HZ3 TRP 51 3HZ TRP 51 -5.235 -10.176 3.436 365 HH2 TRP 51 HH TRP 51 -5.507 -11.061 5.736 366 H CYS 52 H CYS 52 -6.599 -6.953 1.331 367 HA CYS 52 HA CYS 52 -6.797 -5.122 -1.042 368 HB2 CYS 52 2HB CYS 52 -4.626 -6.625 0.184 369 HB3 CYS 52 1HB CYS 52 -4.798 -6.998 -1.528 370 H ARG 53 H ARG 53 -8.381 -5.855 -2.369 371 HA ARG 53 HA ARG 53 -8.524 -8.798 -2.941 372 HB2 ARG 53 2HB ARG 53 -10.951 -7.015 -2.930 373 HB3 ARG 53 1HB ARG 53 -10.859 -8.747 -2.669 374 HG2 ARG 53 2HG ARG 53 -11.046 -8.258 -0.470 375 HG3 ARG 53 1HG ARG 53 -9.361 -7.744 -0.574 376 HD2 ARG 53 2HD ARG 53 -10.168 -5.460 -1.245 377 HD3 ARG 53 1HD ARG 53 -11.821 -5.998 -0.897 378 HE ARG 53 HE ARG 53 -9.816 -5.366 1.099 379 HH11 ARG 53 1HH1 ARG 53 -10.255 -8.253 1.632 380 HH12 ARG 53 2HH1 ARG 53 -11.632 -8.239 2.684 381 HH21 ARG 53 1HH2 ARG 53 -12.540 -4.988 1.889 382 HH22 ARG 53 2HH2 ARG 53 -12.925 -6.391 2.829 383 H SER 54 H SER 54 -9.558 -9.192 -5.130 384 HA SER 54 HA SER 54 -8.425 -7.708 -7.231 385 HB2 SER 54 2HB SER 54 -9.886 -8.992 -8.601 386 HB3 SER 54 1HB SER 54 -9.686 -9.980 -7.157 387 HG SER 54 HG SER 54 -11.684 -9.502 -6.536 388 H LYS 55 H LYS 55 -11.667 -7.425 -5.820 389 HA LYS 55 HA LYS 55 -11.831 -4.634 -6.859 390 HB2 LYS 55 2HB LYS 55 -13.637 -6.992 -7.021 391 HB3 LYS 55 1HB LYS 55 -14.408 -5.426 -6.749 392 HG2 LYS 55 2HG LYS 55 -12.352 -5.082 -8.656 393 HG3 LYS 55 1HG LYS 55 -13.332 -6.451 -9.181 394 HD2 LYS 55 2HD LYS 55 -14.588 -3.859 -8.266 395 HD3 LYS 55 1HD LYS 55 -14.098 -4.103 -9.943 396 HE2 LYS 55 2HE LYS 55 -15.924 -5.381 -10.358 397 HE3 LYS 55 1HE LYS 55 -15.604 -6.391 -8.934 398 HZ1 LYS 55 3HZ LYS 55 -16.618 -4.818 -7.521 399 HZ2 LYS 55 1HZ LYS 55 -17.688 -5.007 -8.824 400 HZ3 LYS 55 2HZ LYS 55 -16.685 -3.638 -8.740 401 H CYS 56 H CYS 56 -13.794 -3.556 -5.628 402 HA CYS 56 HA CYS 56 -13.501 -4.193 -2.701 403 HB2 CYS 56 2HB CYS 56 -13.982 -1.482 -3.966 404 HB3 CYS 56 1HB CYS 56 -13.508 -1.817 -2.301 405 H PHE 57 H PHE 57 -15.427 -3.307 -1.414 406 HA PHE 57 HA PHE 57 -17.910 -4.237 -2.656 407 HB2 PHE 57 2HB PHE 57 -16.978 -3.234 0.018 408 HB3 PHE 57 1HB PHE 57 -18.709 -3.346 -0.300 409 HD1 PHE 57 2HD PHE 57 -15.890 -5.513 -1.471 410 HD2 PHE 57 1HD PHE 57 -19.473 -5.230 0.882 411 HE1 PHE 57 2HE PHE 57 -15.813 -7.958 -1.058 412 HE2 PHE 57 1HE PHE 57 -19.394 -7.674 1.295 413 HZ PHE 57 HZ PHE 57 -17.565 -9.037 0.326 414 H ARG 58 H ARG 58 -19.881 -2.613 -1.877 415 HA ARG 58 HA ARG 58 -19.527 -0.239 -3.542 416 HB2 ARG 58 2HB ARG 58 -21.541 -1.980 -3.110 417 HB3 ARG 58 1HB ARG 58 -21.985 -0.737 -1.940 418 HG2 ARG 58 2HG ARG 58 -22.428 0.830 -3.562 419 HG3 ARG 58 1HG ARG 58 -21.200 0.194 -4.659 420 HD2 ARG 58 2HD ARG 58 -22.963 -1.911 -4.552 421 HD3 ARG 58 1HD ARG 58 -24.056 -0.516 -4.444 422 HE ARG 58 HE ARG 58 -22.373 0.285 -6.425 423 HH11 ARG 58 1HH1 ARG 58 -22.537 -2.996 -6.152 424 HH12 ARG 58 2HH1 ARG 58 -23.324 -3.290 -7.667 425 HH21 ARG 58 1HH2 ARG 58 -24.029 0.055 -8.251 426 HH22 ARG 58 2HH2 ARG 58 -24.168 -1.562 -8.856 427 H HIS 59 H HIS 59 -20.027 -0.992 -0.115 428 HA HIS 59 HA HIS 59 -20.246 1.812 0.685 429 HB2 HIS 59 2HB HIS 59 -20.977 -0.597 1.721 430 HB3 HIS 59 1HB HIS 59 -19.495 -0.303 2.629 431 HD1 HIS 59 1HD HIS 59 -19.438 2.449 3.455 432 HD2 HIS 59 2HD HIS 59 -23.110 0.517 3.054 433 HE1 HIS 59 1HE HIS 59 -21.101 3.775 4.830 434 H GLU 60 H GLU 60 -17.683 0.162 -0.524 435 HA GLU 60 HA GLU 60 -15.733 1.636 1.215 436 HB2 GLU 60 2HB GLU 60 -15.883 -1.188 0.230 437 HB3 GLU 60 1HB GLU 60 -14.292 -0.454 0.403 438 HG2 GLU 60 2HG GLU 60 -14.868 0.164 2.752 439 HG3 GLU 60 1HG GLU 60 -16.401 -0.688 2.567 440 H TYR 61 H TYR 61 -13.472 1.467 -0.138 441 HA TYR 61 HA TYR 61 -14.005 2.029 -3.018 442 HB2 TYR 61 2HB TYR 61 -12.767 4.128 -2.842 443 HB3 TYR 61 1HB TYR 61 -14.081 4.140 -1.672 444 HD1 TYR 61 1HD TYR 61 -13.453 3.123 0.711 445 HD2 TYR 61 2HD TYR 61 -10.627 4.707 -2.111 446 HE1 TYR 61 1HE TYR 61 -11.825 3.479 2.544 447 HE2 TYR 61 2HE TYR 61 -9.000 5.064 -0.276 448 HH TYR 61 HH TYR 61 -8.563 4.755 1.880 449 H VAL 62 H VAL 62 -11.416 2.863 -3.650 450 HA VAL 62 HA VAL 62 -9.832 0.395 -3.023 451 HB VAL 62 HB VAL 62 -9.962 2.273 -5.400 452 HG11 VAL 62 1HG1 VAL 62 -8.022 1.422 -6.251 453 HG12 VAL 62 2HG1 VAL 62 -8.309 -0.176 -5.565 454 HG13 VAL 62 3HG1 VAL 62 -7.642 1.108 -4.559 455 HG21 VAL 62 3HG2 VAL 62 -11.617 0.265 -4.871 456 HG22 VAL 62 1HG2 VAL 62 -10.283 -0.705 -5.492 457 HG23 VAL 62 2HG2 VAL 62 -11.023 0.531 -6.510 458 H ASP 63 H ASP 63 -8.852 1.339 -1.101 459 HA ASP 63 HA ASP 63 -7.687 3.796 -0.668 460 HB2 ASP 63 2HB ASP 63 -7.705 1.532 0.667 461 HB3 ASP 63 1HB ASP 63 -6.135 1.280 -0.095 462 H THR 64 H THR 64 -6.908 4.733 -2.648 463 HA THR 64 HA THR 64 -5.068 3.566 -4.466 464 HB THR 64 HB THR 64 -4.471 6.174 -4.626 465 HG1 THR 64 1HG THR 64 -5.418 6.890 -2.805 466 HG21 THR 64 3HG2 THR 64 -7.241 5.925 -5.394 467 HG22 THR 64 1HG2 THR 64 -6.377 4.433 -5.767 468 HG23 THR 64 2HG2 THR 64 -5.808 5.969 -6.421 469 H TYR 65 H TYR 65 -4.566 4.990 -1.303 470 HA TYR 65 HA TYR 65 -1.729 5.448 -1.495 471 HB2 TYR 65 2HB TYR 65 -3.539 6.258 0.186 472 HB3 TYR 65 1HB TYR 65 -3.261 4.723 1.003 473 HD1 TYR 65 2HD TYR 65 -0.202 5.170 -0.365 474 HD2 TYR 65 1HD TYR 65 -2.718 7.051 2.566 475 HE1 TYR 65 2HE TYR 65 1.802 6.119 0.746 476 HE2 TYR 65 1HE TYR 65 -0.713 7.999 3.677 477 HH TYR 65 HH TYR 65 1.901 7.202 3.743 478 H TYR 66 H TYR 66 -3.606 2.744 -0.069 479 HA TYR 66 HA TYR 66 -1.165 1.180 0.387 480 HB2 TYR 66 2HB TYR 66 -4.104 0.969 0.906 481 HB3 TYR 66 1HB TYR 66 -3.139 -0.508 0.974 482 HD1 TYR 66 2HD TYR 66 -1.246 -0.704 2.567 483 HD2 TYR 66 1HD TYR 66 -3.854 2.708 2.561 484 HE1 TYR 66 2HE TYR 66 -0.392 -0.051 4.801 485 HE2 TYR 66 1HE TYR 66 -3.001 3.362 4.796 486 HH TYR 66 HH TYR 66 -0.297 1.674 6.299 487 H SER 67 H SER 67 -3.220 1.669 -2.281 488 HA SER 67 HA SER 67 -3.509 -0.839 -3.500 489 HB2 SER 67 2HB SER 67 -3.522 1.940 -4.206 490 HB3 SER 67 1HB SER 67 -2.623 1.066 -5.443 491 HG SER 67 HG SER 67 -5.151 0.256 -4.442 492 H ALA 68 H ALA 68 -0.604 0.969 -2.850 493 HA ALA 68 HA ALA 68 1.145 -0.238 -4.786 494 HB1 ALA 68 1HB ALA 68 2.038 0.646 -2.059 495 HB2 ALA 68 2HB ALA 68 1.323 1.835 -3.146 496 HB3 ALA 68 3HB ALA 68 2.777 0.962 -3.629 497 H VAL 69 H VAL 69 1.248 -0.822 -1.241 498 HA VAL 69 HA VAL 69 2.712 -3.185 -1.246 499 HB VAL 69 HB VAL 69 1.849 -1.871 0.722 500 HG11 VAL 69 1HG1 VAL 69 -0.694 -3.224 -0.115 501 HG12 VAL 69 2HG1 VAL 69 -0.426 -1.527 0.284 502 HG13 VAL 69 3HG1 VAL 69 -0.430 -2.744 1.561 503 HG21 VAL 69 3HG2 VAL 69 1.106 -4.133 1.967 504 HG22 VAL 69 1HG2 VAL 69 2.783 -3.798 1.533 505 HG23 VAL 69 2HG2 VAL 69 1.792 -4.824 0.499 506 H CYS 70 H CYS 70 -0.597 -2.691 -2.265 507 HA CYS 70 HA CYS 70 -1.538 -5.393 -2.190 508 HB2 CYS 70 2HB CYS 70 -2.548 -2.952 -2.765 509 HB3 CYS 70 1HB CYS 70 -2.358 -3.582 -4.402 510 H GLY 71 H GLY 71 -0.574 -3.600 -5.145 511 HA2 GLY 71 2HA GLY 71 1.008 -4.369 -6.792 512 HA3 GLY 71 1HA GLY 71 0.980 -5.963 -6.039 513 H ARG 72 H ARG 72 -0.591 -7.460 -6.701 514 HA ARG 72 HA ARG 72 -1.706 -7.126 -9.335 515 HB2 ARG 72 2HB ARG 72 -1.172 -9.162 -7.489 516 HB3 ARG 72 1HB ARG 72 -2.925 -9.197 -7.685 517 HG2 ARG 72 2HG ARG 72 -1.503 -8.848 -10.223 518 HG3 ARG 72 1HG ARG 72 -1.098 -10.360 -9.410 519 HD2 ARG 72 2HD ARG 72 -3.360 -11.094 -9.398 520 HD3 ARG 72 1HD ARG 72 -3.972 -9.465 -9.755 521 HE ARG 72 HE ARG 72 -2.132 -10.408 -11.798 522 HH11 ARG 72 1HH2 ARG 72 -4.564 -8.735 -12.325 523 HH12 ARG 72 2HH2 ARG 72 -5.615 -9.863 -13.114 524 HH21 ARG 72 1HH1 ARG 72 -3.829 -12.653 -12.081 525 HH22 ARG 72 2HH1 ARG 72 -5.198 -12.082 -12.976 526 H TYR 73 H TYR 73 -3.354 -7.501 -6.170 527 HA TYR 73 HA TYR 73 -5.870 -6.477 -7.338 528 HB2 TYR 73 2HB TYR 73 -5.185 -7.282 -4.496 529 HB3 TYR 73 1HB TYR 73 -6.791 -7.197 -5.216 530 HD1 TYR 73 2HD TYR 73 -6.754 -8.530 -7.679 531 HD2 TYR 73 1HD TYR 73 -4.446 -9.457 -4.178 532 HE1 TYR 73 2HE TYR 73 -6.527 -10.877 -8.448 533 HE2 TYR 73 1HE TYR 73 -4.218 -11.802 -4.946 534 HH TYR 73 HH TYR 73 -4.869 -13.312 -6.451 535 H PHE 74 H PHE 74 -6.981 -5.041 -5.310 536 HA PHE 74 HA PHE 74 -5.091 -2.744 -4.898 537 HB2 PHE 74 2HB PHE 74 -8.075 -2.441 -5.163 538 HB3 PHE 74 1HB PHE 74 -6.807 -1.274 -5.529 539 HD1 PHE 74 1HD PHE 74 -8.508 -4.348 -6.698 540 HD2 PHE 74 2HD PHE 74 -5.707 -1.242 -7.673 541 HE1 PHE 74 1HE PHE 74 -8.548 -5.060 -9.074 542 HE2 PHE 74 2HE PHE 74 -5.746 -1.955 -10.049 543 HZ PHE 74 HZ PHE 74 -7.165 -3.863 -10.749 544 H CYS 75 H CYS 75 -5.309 -1.652 -2.869 545 HA CYS 75 HA CYS 75 -6.452 -3.300 -0.707 546 HB2 CYS 75 2HB CYS 75 -4.267 -2.313 -0.403 547 HB3 CYS 75 1HB CYS 75 -4.866 -0.720 -0.861 548 H CYS 76 H CYS 76 -8.729 -3.073 -0.738 549 HA CYS 76 HA CYS 76 -9.983 -0.466 -1.175 550 HB2 CYS 76 2HB CYS 76 -11.213 -2.992 -0.049 551 HB3 CYS 76 1HB CYS 76 -12.014 -1.722 -0.968 552 H ARG 77 H ARG 77 -11.445 0.487 0.508 553 HA ARG 77 HA ARG 77 -10.826 -0.209 3.323 554 HB2 ARG 77 2HB ARG 77 -9.740 2.083 1.778 555 HB3 ARG 77 1HB ARG 77 -10.328 2.463 3.396 556 HG2 ARG 77 2HG ARG 77 -8.936 0.187 3.913 557 HG3 ARG 77 1HG ARG 77 -7.995 0.833 2.568 558 HD2 ARG 77 2HD ARG 77 -7.137 1.696 4.728 559 HD3 ARG 77 1HD ARG 77 -7.830 3.019 3.768 560 HE ARG 77 HE ARG 77 -9.982 2.047 5.229 561 HH11 ARG 77 1HH2 ARG 77 -7.295 1.650 6.937 562 HH12 ARG 77 2HH2 ARG 77 -7.506 2.964 8.045 563 HH21 ARG 77 1HH1 ARG 77 -10.072 4.429 6.231 564 HH22 ARG 77 2HH1 ARG 77 -9.080 4.537 7.647 565 H SER 78 H SER 78 -12.025 1.515 4.773 566 HA SER 78 HA SER 78 -14.742 1.905 3.587 567 HB2 SER 78 2HB SER 78 -14.367 0.479 5.635 568 HB3 SER 78 1HB SER 78 -13.819 1.924 6.479 569 HG SER 78 HG SER 78 -15.901 2.031 6.905 570 H ARG 79 H ARG 79 -14.420 3.964 2.580 571 HA ARG 79 HA ARG 79 -13.170 6.200 3.945 572 HB2 ARG 79 2HB ARG 79 -13.779 5.549 1.388 573 HB3 ARG 79 1HB ARG 79 -15.135 6.617 1.751 574 HG2 ARG 79 2HG ARG 79 -13.797 8.473 1.974 575 HG3 ARG 79 1HG ARG 79 -12.430 7.543 2.588 576 HD2 ARG 79 2HD ARG 79 -12.212 6.564 0.225 577 HD3 ARG 79 1HD ARG 79 -13.325 7.849 -0.289 578 HE ARG 79 HE ARG 79 -10.664 8.330 0.989 579 HH11 ARG 79 1HH1 ARG 79 -13.557 9.893 0.363 580 HH12 ARG 79 2HH1 ARG 79 -12.866 11.192 -0.552 581 HH21 ARG 79 1HH2 ARG 79 -9.706 9.770 -0.688 582 HH22 ARG 79 2HH2 ARG 79 -10.686 11.122 -1.147 Start of MODEL 7 1 H1 ASN 1 1HT ASN 1 13.964 12.701 -7.333 2 H2 ASN 1 2HT ASN 1 13.611 11.918 -8.800 3 H3 ASN 1 3HT ASN 1 15.130 12.642 -8.564 4 HA ASN 1 HA ASN 1 15.448 10.310 -8.293 5 HB2 ASN 1 2HB ASN 1 15.196 11.664 -5.589 6 HB3 ASN 1 1HB ASN 1 16.334 10.391 -6.034 7 HD21 ASN 1 1HD2 ASN 1 18.329 11.057 -6.885 8 HD22 ASN 1 2HD2 ASN 1 18.681 12.645 -7.373 9 HA PRO 2 HA PRO 2 11.350 8.705 -7.141 10 HB2 PRO 2 2HB PRO 2 11.584 6.423 -8.637 11 HB3 PRO 2 1HB PRO 2 11.060 7.976 -9.318 12 HG2 PRO 2 2HG PRO 2 13.724 6.658 -9.443 13 HG3 PRO 2 1HG PRO 2 12.867 7.594 -10.678 14 HD2 PRO 2 2HD PRO 2 14.907 8.595 -9.163 15 HD3 PRO 2 1HD PRO 2 13.617 9.595 -9.867 16 H LEU 3 H LEU 3 11.201 7.636 -5.202 17 HA LEU 3 HA LEU 3 13.101 5.382 -4.666 18 HB2 LEU 3 2HB LEU 3 13.483 7.803 -3.625 19 HB3 LEU 3 1HB LEU 3 12.252 7.255 -2.486 20 HG LEU 3 HG LEU 3 14.382 5.287 -3.061 21 HD11 LEU 3 1HD1 LEU 3 15.657 6.725 -1.136 22 HD12 LEU 3 2HD1 LEU 3 14.966 8.030 -2.102 23 HD13 LEU 3 3HD1 LEU 3 16.038 6.848 -2.854 24 HD21 LEU 3 3HD2 LEU 3 14.238 5.110 -0.546 25 HD22 LEU 3 1HD2 LEU 3 12.705 4.834 -1.374 26 HD23 LEU 3 2HD2 LEU 3 13.014 6.380 -0.584 27 H ILE 4 H ILE 4 12.260 3.880 -2.996 28 HA ILE 4 HA ILE 4 9.705 2.897 -3.354 29 HB ILE 4 HB ILE 4 11.721 2.909 -1.157 30 HG12 ILE 4 2HG1 ILE 4 11.716 1.337 -3.116 31 HG13 ILE 4 1HG1 ILE 4 11.663 0.514 -1.557 32 HG21 ILE 4 1HG2 ILE 4 8.821 2.429 -0.710 33 HG22 ILE 4 2HG2 ILE 4 10.075 2.895 0.439 34 HG23 ILE 4 3HG2 ILE 4 9.914 1.210 -0.055 35 HD11 ILE 4 3HD1 ILE 4 10.030 -0.500 -3.064 36 HD12 ILE 4 1HD1 ILE 4 9.297 1.075 -3.368 37 HD13 ILE 4 2HD1 ILE 4 9.186 0.344 -1.766 38 HA PRO 5 HA PRO 5 6.987 5.881 -1.584 39 HB2 PRO 5 2HB PRO 5 4.816 4.273 -1.160 40 HB3 PRO 5 1HB PRO 5 5.296 4.831 -2.772 41 HG2 PRO 5 2HG PRO 5 5.720 2.197 -1.479 42 HG3 PRO 5 1HG PRO 5 5.371 2.580 -3.170 43 HD2 PRO 5 2HD PRO 5 7.866 1.938 -2.217 44 HD3 PRO 5 1HD PRO 5 7.571 2.899 -3.683 45 H ALA 6 H ALA 6 5.729 6.189 0.479 46 HA ALA 6 HA ALA 6 7.186 5.073 2.754 47 HB1 ALA 6 1HB ALA 6 5.948 6.784 3.981 48 HB2 ALA 6 2HB ALA 6 4.857 7.008 2.613 49 HB3 ALA 6 3HB ALA 6 6.550 7.481 2.477 50 H ILE 7 H ILE 7 4.253 4.429 1.068 51 HA ILE 7 HA ILE 7 2.549 3.462 3.098 52 HB ILE 7 HB ILE 7 1.610 3.628 0.962 53 HG12 ILE 7 2HG1 ILE 7 0.879 1.425 0.323 54 HG13 ILE 7 1HG1 ILE 7 2.308 0.681 1.037 55 HG21 ILE 7 1HG2 ILE 7 4.267 2.843 0.110 56 HG22 ILE 7 2HG2 ILE 7 3.017 3.692 -0.796 57 HG23 ILE 7 3HG2 ILE 7 3.042 1.929 -0.767 58 HD11 ILE 7 3HD1 ILE 7 -0.074 1.894 2.416 59 HD12 ILE 7 1HD1 ILE 7 1.472 1.789 3.253 60 HD13 ILE 7 2HD1 ILE 7 0.682 0.323 2.682 61 H TYR 8 H TYR 8 5.032 1.642 1.276 62 HA TYR 8 HA TYR 8 4.654 -0.899 2.398 63 HB2 TYR 8 2HB TYR 8 7.190 0.573 1.620 64 HB3 TYR 8 1HB TYR 8 7.082 -1.173 1.848 65 HD1 TYR 8 2HD TYR 8 4.336 -1.655 0.742 66 HD2 TYR 8 1HD TYR 8 7.586 0.739 -0.725 67 HE1 TYR 8 2HE TYR 8 3.469 -1.896 -1.562 68 HE2 TYR 8 1HE TYR 8 6.716 0.499 -3.035 69 HH TYR 8 HH TYR 8 3.595 -0.817 -3.698 70 H ILE 9 H ILE 9 5.990 1.972 3.889 71 HA ILE 9 HA ILE 9 7.472 0.776 6.006 72 HB ILE 9 HB ILE 9 5.837 3.331 5.861 73 HG12 ILE 9 2HG1 ILE 9 8.791 2.792 5.405 74 HG13 ILE 9 1HG1 ILE 9 7.606 3.115 4.139 75 HG21 ILE 9 1HG2 ILE 9 7.876 3.848 7.588 76 HG22 ILE 9 2HG2 ILE 9 7.563 2.154 7.964 77 HG23 ILE 9 3HG2 ILE 9 6.267 3.341 8.105 78 HD11 ILE 9 3HD1 ILE 9 8.887 4.983 6.045 79 HD12 ILE 9 1HD1 ILE 9 7.160 5.234 5.790 80 HD13 ILE 9 2HD1 ILE 9 8.270 5.280 4.421 81 H GLY 10 H GLY 10 6.810 -0.192 7.919 82 HA2 GLY 10 2HA GLY 10 5.298 -1.336 9.325 83 HA3 GLY 10 1HA GLY 10 4.466 0.221 9.368 84 H ALA 11 H ALA 11 4.958 -1.725 6.471 85 HA ALA 11 HA ALA 11 1.967 -2.005 6.283 86 HB1 ALA 11 1HB ALA 11 2.188 -1.419 4.080 87 HB2 ALA 11 2HB ALA 11 3.697 -2.314 3.893 88 HB3 ALA 11 3HB ALA 11 3.705 -0.717 4.638 89 H THR 12 H THR 12 1.774 -3.905 4.303 90 HA THR 12 HA THR 12 3.438 -6.242 5.114 91 HB THR 12 HB THR 12 0.446 -5.943 5.482 92 HG1 THR 12 1HG THR 12 1.018 -6.562 7.597 93 HG21 THR 12 3HG2 THR 12 0.482 -8.354 6.124 94 HG22 THR 12 1HG2 THR 12 2.144 -8.451 5.544 95 HG23 THR 12 2HG2 THR 12 0.835 -8.095 4.417 96 H VAL 13 H VAL 13 4.143 -6.148 2.856 97 HA VAL 13 HA VAL 13 2.134 -6.378 0.716 98 HB VAL 13 HB VAL 13 4.058 -6.229 -0.706 99 HG11 VAL 13 1HG1 VAL 13 3.563 -4.247 0.854 100 HG12 VAL 13 2HG1 VAL 13 5.153 -4.281 0.099 101 HG13 VAL 13 3HG1 VAL 13 4.966 -4.774 1.781 102 HG21 VAL 13 3HG2 VAL 13 6.330 -6.398 0.888 103 HG22 VAL 13 1HG2 VAL 13 5.750 -7.652 -0.210 104 HG23 VAL 13 2HG2 VAL 13 5.308 -7.700 1.497 105 H GLY 14 H GLY 14 3.255 -8.253 -0.969 106 HA2 GLY 14 2HA GLY 14 2.895 -10.787 0.576 107 HA3 GLY 14 1HA GLY 14 2.440 -10.590 -1.118 108 HA PRO 15 HA PRO 15 6.657 -12.435 -1.005 109 HB2 PRO 15 2HB PRO 15 6.120 -14.395 -2.838 110 HB3 PRO 15 1HB PRO 15 5.822 -14.591 -1.099 111 HG2 PRO 15 2HG PRO 15 3.908 -13.971 -3.289 112 HG3 PRO 15 1HG PRO 15 3.696 -14.992 -1.859 113 HD2 PRO 15 2HD PRO 15 2.708 -12.451 -2.073 114 HD3 PRO 15 1HD PRO 15 3.114 -13.228 -0.527 115 H SER 16 H SER 16 4.513 -12.037 -3.847 116 HA SER 16 HA SER 16 6.631 -11.592 -5.746 117 HB2 SER 16 2HB SER 16 3.743 -10.660 -5.762 118 HB3 SER 16 1HB SER 16 4.775 -10.880 -7.172 119 HG SER 16 HG SER 16 3.792 -12.781 -7.082 120 H VAL 17 H VAL 17 4.457 -9.317 -4.024 121 HA VAL 17 HA VAL 17 5.547 -6.905 -5.060 122 HB VAL 17 HB VAL 17 4.320 -7.581 -2.366 123 HG11 VAL 17 1HG1 VAL 17 3.711 -5.156 -2.339 124 HG12 VAL 17 2HG1 VAL 17 4.707 -4.923 -3.775 125 HG13 VAL 17 3HG1 VAL 17 5.452 -5.424 -2.257 126 HG21 VAL 17 3HG2 VAL 17 2.223 -6.939 -3.383 127 HG22 VAL 17 1HG2 VAL 17 2.987 -8.120 -4.448 128 HG23 VAL 17 2HG2 VAL 17 3.041 -6.403 -4.851 129 H TRP 18 H TRP 18 6.385 -8.692 -2.070 130 HA TRP 18 HA TRP 18 8.381 -7.012 -1.041 131 HB2 TRP 18 2HB TRP 18 7.429 -9.138 -0.078 132 HB3 TRP 18 1HB TRP 18 8.438 -10.041 -1.204 133 HD1 TRP 18 HD TRP 18 11.173 -9.312 -1.052 134 HE1 TRP 18 1HE TRP 18 12.573 -8.995 1.090 135 HE3 TRP 18 3HE TRP 18 7.431 -8.567 2.343 136 HZ2 TRP 18 2HZ TRP 18 12.159 -8.491 3.875 137 HZ3 TRP 18 3HZ TRP 18 7.962 -8.169 4.731 138 HH2 TRP 18 HH TRP 18 10.319 -8.131 5.501 139 H ALA 19 H ALA 19 8.968 -9.826 -3.186 140 HA ALA 19 HA ALA 19 11.669 -9.502 -3.727 141 HB1 ALA 19 1HB ALA 19 11.232 -10.978 -5.442 142 HB2 ALA 19 2HB ALA 19 9.870 -10.031 -6.041 143 HB3 ALA 19 3HB ALA 19 9.669 -11.069 -4.629 144 H TYR 20 H TYR 20 8.969 -7.727 -5.205 145 HA TYR 20 HA TYR 20 10.490 -6.268 -7.145 146 HB2 TYR 20 2HB TYR 20 8.004 -6.545 -7.030 147 HB3 TYR 20 1HB TYR 20 7.982 -5.477 -5.626 148 HD1 TYR 20 2HD TYR 20 8.700 -5.675 -9.256 149 HD2 TYR 20 1HD TYR 20 8.264 -3.097 -5.848 150 HE1 TYR 20 2HE TYR 20 8.677 -3.698 -10.755 151 HE2 TYR 20 1HE TYR 20 8.241 -1.121 -7.346 152 HH TYR 20 HH TYR 20 9.019 -0.514 -9.598 153 H LEU 21 H LEU 21 9.144 -5.023 -4.070 154 HA LEU 21 HA LEU 21 10.397 -2.581 -3.864 155 HB2 LEU 21 2HB LEU 21 8.838 -3.953 -2.283 156 HB3 LEU 21 1HB LEU 21 10.340 -4.510 -1.549 157 HG LEU 21 HG LEU 21 9.342 -1.662 -1.777 158 HD11 LEU 21 1HD1 LEU 21 8.822 -3.480 0.141 159 HD12 LEU 21 2HD1 LEU 21 9.025 -1.765 0.495 160 HD13 LEU 21 3HD1 LEU 21 10.369 -2.880 0.738 161 HD21 LEU 21 3HD2 LEU 21 12.088 -2.760 -1.168 162 HD22 LEU 21 1HD2 LEU 21 11.561 -1.212 -0.507 163 HD23 LEU 21 2HD2 LEU 21 11.648 -1.441 -2.254 164 H VAL 22 H VAL 22 11.831 -5.645 -2.650 165 HA VAL 22 HA VAL 22 14.322 -4.721 -1.819 166 HB VAL 22 HB VAL 22 13.536 -7.242 -3.308 167 HG11 VAL 22 1HG1 VAL 22 15.636 -8.073 -3.045 168 HG12 VAL 22 2HG1 VAL 22 15.837 -7.318 -1.464 169 HG13 VAL 22 3HG1 VAL 22 16.115 -6.380 -2.931 170 HG21 VAL 22 3HG2 VAL 22 12.665 -6.385 -0.890 171 HG22 VAL 22 1HG2 VAL 22 14.154 -7.191 -0.400 172 HG23 VAL 22 2HG2 VAL 22 12.910 -8.090 -1.269 173 H ALA 23 H ALA 23 13.475 -5.777 -5.122 174 HA ALA 23 HA ALA 23 15.919 -5.337 -6.419 175 HB1 ALA 23 1HB ALA 23 14.405 -4.892 -8.412 176 HB2 ALA 23 2HB ALA 23 13.047 -4.896 -7.286 177 HB3 ALA 23 3HB ALA 23 14.016 -6.354 -7.505 178 H LEU 24 H LEU 24 13.337 -2.958 -5.740 179 HA LEU 24 HA LEU 24 14.593 -0.735 -7.034 180 HB2 LEU 24 2HB LEU 24 12.181 -1.278 -5.995 181 HB3 LEU 24 1HB LEU 24 12.859 -0.392 -4.630 182 HG LEU 24 HG LEU 24 13.508 1.432 -6.272 183 HD11 LEU 24 1HD1 LEU 24 12.920 1.321 -8.482 184 HD12 LEU 24 2HD1 LEU 24 11.441 0.418 -8.149 185 HD13 LEU 24 3HD1 LEU 24 12.994 -0.416 -8.182 186 HD21 LEU 24 3HD2 LEU 24 10.876 0.714 -5.241 187 HD22 LEU 24 1HD2 LEU 24 10.757 1.712 -6.690 188 HD23 LEU 24 2HD2 LEU 24 11.661 2.292 -5.291 189 H VAL 25 H VAL 25 14.780 -2.030 -3.739 190 HA VAL 25 HA VAL 25 17.027 -0.122 -3.200 191 HB VAL 25 HB VAL 25 15.286 0.715 -1.878 192 HG11 VAL 25 1HG1 VAL 25 13.428 -0.603 -2.101 193 HG12 VAL 25 2HG1 VAL 25 13.921 -1.157 -0.501 194 HG13 VAL 25 3HG1 VAL 25 14.339 -2.103 -1.929 195 HG21 VAL 25 3HG2 VAL 25 17.315 -0.693 -0.560 196 HG22 VAL 25 1HG2 VAL 25 15.833 -1.146 0.282 197 HG23 VAL 25 2HG2 VAL 25 16.277 0.554 0.127 198 H GLY 26 H GLY 26 15.857 -2.607 -0.983 199 HA2 GLY 26 2HA GLY 26 17.441 -4.800 -1.713 200 HA3 GLY 26 1HA GLY 26 18.479 -3.766 -0.728 201 H ALA 27 H ALA 27 17.851 -6.272 0.237 202 HA ALA 27 HA ALA 27 15.508 -6.449 1.851 203 HB1 ALA 27 1HB ALA 27 16.771 -8.406 1.358 204 HB2 ALA 27 2HB ALA 27 17.018 -8.136 3.083 205 HB3 ALA 27 3HB ALA 27 18.270 -7.673 1.929 206 H ALA 28 H ALA 28 18.399 -4.585 2.255 207 HA ALA 28 HA ALA 28 18.367 -4.407 5.136 208 HB1 ALA 28 1HB ALA 28 19.957 -2.563 4.695 209 HB2 ALA 28 2HB ALA 28 19.493 -2.575 2.993 210 HB3 ALA 28 3HB ALA 28 20.329 -3.963 3.689 211 H ALA 29 H ALA 29 17.594 -1.898 2.696 212 HA ALA 29 HA ALA 29 16.215 -0.178 4.525 213 HB1 ALA 29 1HB ALA 29 17.031 -0.197 1.856 214 HB2 ALA 29 2HB ALA 29 16.155 1.110 2.651 215 HB3 ALA 29 3HB ALA 29 15.273 -0.123 1.751 216 H VAL 30 H VAL 30 15.271 -3.079 2.849 217 HA VAL 30 HA VAL 30 12.402 -2.668 2.964 218 HB VAL 30 HB VAL 30 14.269 -5.016 2.577 219 HG11 VAL 30 1HG1 VAL 30 11.714 -5.768 1.707 220 HG12 VAL 30 2HG1 VAL 30 11.450 -5.043 3.293 221 HG13 VAL 30 3HG1 VAL 30 12.568 -6.396 3.117 222 HG21 VAL 30 3HG2 VAL 30 13.674 -4.824 0.291 223 HG22 VAL 30 1HG2 VAL 30 13.862 -3.153 0.824 224 HG23 VAL 30 2HG2 VAL 30 12.251 -3.849 0.657 225 H THR 31 H THR 31 14.836 -4.054 5.129 226 HA THR 31 HA THR 31 12.793 -5.123 6.977 227 HB THR 31 HB THR 31 15.822 -4.931 7.013 228 HG1 THR 31 1HG THR 31 14.613 -6.348 5.502 229 HG21 THR 31 3HG2 THR 31 13.991 -6.478 8.867 230 HG22 THR 31 1HG2 THR 31 14.833 -4.991 9.302 231 HG23 THR 31 2HG2 THR 31 15.753 -6.446 8.920 232 H ALA 32 H ALA 32 14.829 -2.280 6.635 233 HA ALA 32 HA ALA 32 14.494 -1.378 9.397 234 HB1 ALA 32 1HB ALA 32 16.135 -0.839 7.198 235 HB2 ALA 32 2HB ALA 32 16.151 0.021 8.738 236 HB3 ALA 32 3HB ALA 32 15.185 0.632 7.395 237 H ALA 33 H ALA 33 12.764 -1.020 6.372 238 HA ALA 33 HA ALA 33 11.186 1.289 7.279 239 HB1 ALA 33 1HB ALA 33 11.852 -0.039 4.864 240 HB2 ALA 33 2HB ALA 33 10.888 1.426 5.045 241 HB3 ALA 33 3HB ALA 33 10.100 -0.152 5.026 242 H ASN 34 H ASN 34 11.164 -1.813 8.289 243 HA ASN 34 HA ASN 34 9.541 -3.172 9.330 244 HB2 ASN 34 2HB ASN 34 9.130 -1.084 10.525 245 HB3 ASN 34 1HB ASN 34 8.100 -0.503 9.218 246 HD21 ASN 34 1HD2 ASN 34 6.982 -0.692 11.784 247 HD22 ASN 34 2HD2 ASN 34 5.878 -1.980 11.833 248 H ILE 35 H ILE 35 9.385 -4.310 7.205 249 HA ILE 35 HA ILE 35 6.743 -3.835 5.859 250 HB ILE 35 HB ILE 35 9.433 -4.822 4.873 251 HG12 ILE 35 2HG1 ILE 35 7.608 -2.548 4.024 252 HG13 ILE 35 1HG1 ILE 35 9.092 -2.379 4.963 253 HG21 ILE 35 1HG2 ILE 35 7.539 -6.224 3.985 254 HG22 ILE 35 2HG2 ILE 35 8.396 -5.318 2.737 255 HG23 ILE 35 3HG2 ILE 35 6.829 -4.753 3.318 256 HD11 ILE 35 3HD1 ILE 35 9.189 -3.801 2.324 257 HD12 ILE 35 1HD1 ILE 35 10.460 -2.903 3.152 258 HD13 ILE 35 2HD1 ILE 35 9.148 -2.039 2.350 259 H ARG 36 H ARG 36 5.354 -5.606 5.822 260 HA ARG 36 HA ARG 36 6.369 -8.125 7.081 261 HB2 ARG 36 2HB ARG 36 3.812 -6.577 7.076 262 HB3 ARG 36 1HB ARG 36 3.711 -8.327 7.275 263 HG2 ARG 36 2HG ARG 36 4.463 -8.204 9.396 264 HG3 ARG 36 1HG ARG 36 5.836 -7.208 8.910 265 HD2 ARG 36 2HD ARG 36 4.820 -5.311 9.634 266 HD3 ARG 36 1HD ARG 36 3.306 -5.731 8.809 267 HE ARG 36 HE ARG 36 3.529 -7.518 10.968 268 HH11 ARG 36 1HH1 ARG 36 4.322 -4.274 11.199 269 HH12 ARG 36 2HH1 ARG 36 3.101 -3.871 12.360 270 HH21 ARG 36 1HH2 ARG 36 1.511 -6.946 12.147 271 HH22 ARG 36 2HH2 ARG 36 1.509 -5.384 12.896 272 H ARG 37 H ARG 37 5.782 -10.135 6.125 273 HA ARG 37 HA ARG 37 5.150 -9.973 3.216 274 HB2 ARG 37 2HB ARG 37 6.710 -11.692 5.054 275 HB3 ARG 37 1HB ARG 37 5.863 -12.558 3.770 276 HG2 ARG 37 2HG ARG 37 6.896 -10.473 2.359 277 HG3 ARG 37 1HG ARG 37 8.141 -10.677 3.592 278 HD2 ARG 37 2HD ARG 37 7.604 -13.292 2.856 279 HD3 ARG 37 1HD ARG 37 7.487 -12.414 1.317 280 HE ARG 37 HE ARG 37 9.744 -11.362 2.598 281 HH11 ARG 37 1HH1 ARG 37 9.733 -14.347 3.488 282 HH12 ARG 37 2HH1 ARG 37 10.822 -15.013 2.317 283 HH21 ARG 37 1HH2 ARG 37 10.679 -12.250 0.224 284 HH22 ARG 37 2HH2 ARG 37 11.358 -13.825 0.470 285 H ALA 38 H ALA 38 3.346 -11.064 2.374 286 HA ALA 38 HA ALA 38 1.508 -12.320 4.389 287 HB1 ALA 38 1HB ALA 38 0.056 -11.444 2.139 288 HB2 ALA 38 2HB ALA 38 1.232 -10.171 2.461 289 HB3 ALA 38 3HB ALA 38 0.110 -10.674 3.724 290 H SER 39 H SER 39 0.327 -14.185 3.651 291 HA SER 39 HA SER 39 1.601 -16.164 2.218 292 HB2 SER 39 2HB SER 39 -1.302 -15.428 2.564 293 HB3 SER 39 1HB SER 39 -0.848 -16.883 1.682 294 HG SER 39 HG SER 39 -0.707 -16.303 4.375 295 H SER 40 H SER 40 -0.077 -13.381 0.896 296 HA SER 40 HA SER 40 1.067 -13.881 -1.756 297 HB2 SER 40 2HB SER 40 -1.941 -13.809 -1.531 298 HB3 SER 40 1HB SER 40 -0.957 -14.374 -2.878 299 HG SER 40 HG SER 40 -0.524 -16.206 -1.807 300 H ASP 41 H ASP 41 -0.181 -12.157 -3.320 301 HA ASP 41 HA ASP 41 0.445 -9.554 -2.318 302 HB2 ASP 41 2HB ASP 41 -0.953 -10.765 -4.671 303 HB3 ASP 41 1HB ASP 41 -1.122 -9.028 -4.418 304 H ASN 42 H ASN 42 -2.283 -11.546 -1.769 305 HA ASN 42 HA ASN 42 -4.125 -9.277 -1.257 306 HB2 ASN 42 2HB ASN 42 -4.969 -11.230 -2.425 307 HB3 ASN 42 1HB ASN 42 -4.368 -12.299 -1.157 308 HD21 ASN 42 1HD2 ASN 42 -7.071 -12.492 -1.679 309 HD22 ASN 42 2HD2 ASN 42 -7.975 -11.752 -0.447 310 H HIS 43 H HIS 43 -3.524 -8.286 0.699 311 HA HIS 43 HA HIS 43 -3.637 -10.010 3.129 312 HB2 HIS 43 2HB HIS 43 -1.634 -8.562 3.923 313 HB3 HIS 43 1HB HIS 43 -1.310 -9.854 2.772 314 HD1 HIS 43 1HD HIS 43 -1.482 -6.109 3.054 315 HD2 HIS 43 2HD HIS 43 -0.599 -8.979 0.164 316 HE1 HIS 43 1HE HIS 43 -0.355 -4.872 1.139 317 H SER 44 H SER 44 -3.434 -8.348 5.119 318 HA SER 44 HA SER 44 -5.590 -6.356 4.695 319 HB2 SER 44 2HB SER 44 -4.794 -8.160 6.712 320 HB3 SER 44 1HB SER 44 -4.497 -6.556 7.374 321 HG SER 44 HG SER 44 -6.617 -7.081 7.785 322 H CYS 45 H CYS 45 -5.280 -4.122 5.132 323 HA CYS 45 HA CYS 45 -2.485 -3.249 5.753 324 HB2 CYS 45 2HB CYS 45 -2.871 -1.495 3.947 325 HB3 CYS 45 1HB CYS 45 -2.690 -3.144 3.371 326 H ALA 46 H ALA 46 -2.599 -0.705 6.028 327 HA ALA 46 HA ALA 46 -3.350 0.991 7.517 328 HB1 ALA 46 1HB ALA 46 -4.821 1.325 5.605 329 HB2 ALA 46 2HB ALA 46 -5.787 1.505 7.070 330 HB3 ALA 46 3HB ALA 46 -5.872 0.012 6.136 331 H GLY 47 H GLY 47 -2.934 -1.453 8.825 332 HA2 GLY 47 2HA GLY 47 -3.478 -2.532 10.839 333 HA3 GLY 47 1HA GLY 47 -4.584 -1.192 11.161 334 H ASN 48 H ASN 48 -6.218 -2.701 11.921 335 HA ASN 48 HA ASN 48 -7.246 -4.717 10.062 336 HB2 ASN 48 2HB ASN 48 -7.631 -3.830 12.871 337 HB3 ASN 48 1HB ASN 48 -9.023 -4.597 12.104 338 HD21 ASN 48 1HD2 ASN 48 -9.034 -6.841 12.249 339 HD22 ASN 48 2HD2 ASN 48 -7.659 -7.814 12.460 340 H ARG 49 H ARG 49 -7.354 -2.082 8.962 341 HA ARG 49 HA ARG 49 -10.233 -1.345 9.178 342 HB2 ARG 49 2HB ARG 49 -7.713 0.091 8.330 343 HB3 ARG 49 1HB ARG 49 -9.319 0.787 8.134 344 HG2 ARG 49 2HG ARG 49 -8.734 -0.317 10.817 345 HG3 ARG 49 1HG ARG 49 -7.811 1.116 10.370 346 HD2 ARG 49 2HD ARG 49 -10.789 1.060 9.906 347 HD3 ARG 49 1HD ARG 49 -10.143 1.454 11.512 348 HE ARG 49 HE ARG 49 -8.822 2.891 9.329 349 HH11 ARG 49 1HH1 ARG 49 -9.234 3.853 12.183 350 HH12 ARG 49 2HH1 ARG 49 -10.409 5.105 11.953 351 HH21 ARG 49 1HH2 ARG 49 -11.285 4.062 8.764 352 HH22 ARG 49 2HH2 ARG 49 -11.570 5.223 10.017 353 H GLY 50 H GLY 50 -7.644 -2.029 6.802 354 HA2 GLY 50 2HA GLY 50 -9.837 -2.352 4.784 355 HA3 GLY 50 1HA GLY 50 -8.291 -1.624 4.361 356 H TRP 51 H TRP 51 -9.243 -3.829 2.975 357 HA TRP 51 HA TRP 51 -7.270 -5.944 3.760 358 HB2 TRP 51 2HB TRP 51 -10.205 -6.025 3.438 359 HB3 TRP 51 1HB TRP 51 -9.355 -7.298 2.565 360 HD1 TRP 51 HD TRP 51 -10.883 -6.777 5.754 361 HE1 TRP 51 1HE TRP 51 -9.888 -8.305 7.577 362 HE3 TRP 51 3HE TRP 51 -6.608 -8.278 3.404 363 HZ2 TRP 51 2HZ TRP 51 -7.582 -9.948 7.982 364 HZ3 TRP 51 3HZ TRP 51 -5.031 -9.823 4.529 365 HH2 TRP 51 HH TRP 51 -5.511 -10.661 6.813 366 H CYS 52 H CYS 52 -6.784 -7.369 1.756 367 HA CYS 52 HA CYS 52 -6.765 -5.612 -0.666 368 HB2 CYS 52 2HB CYS 52 -4.686 -6.581 0.578 369 HB3 CYS 52 1HB CYS 52 -5.114 -8.085 -0.236 370 H ARG 53 H ARG 53 -8.265 -6.140 -2.170 371 HA ARG 53 HA ARG 53 -8.850 -9.040 -2.665 372 HB2 ARG 53 2HB ARG 53 -10.808 -6.737 -2.900 373 HB3 ARG 53 1HB ARG 53 -11.175 -8.461 -2.904 374 HG2 ARG 53 2HG ARG 53 -11.395 -8.426 -0.670 375 HG3 ARG 53 1HG ARG 53 -9.730 -7.869 -0.509 376 HD2 ARG 53 2HD ARG 53 -10.648 -5.515 -1.068 377 HD3 ARG 53 1HD ARG 53 -12.245 -6.205 -0.712 378 HE ARG 53 HE ARG 53 -9.984 -6.054 1.230 379 HH11 ARG 53 1HH1 ARG 53 -12.550 -4.509 1.585 380 HH12 ARG 53 2HH1 ARG 53 -13.410 -5.507 2.709 381 HH21 ARG 53 1HH2 ARG 53 -11.398 -8.284 2.187 382 HH22 ARG 53 2HH2 ARG 53 -12.757 -7.646 3.050 383 H SER 54 H SER 54 -9.285 -9.511 -4.941 384 HA SER 54 HA SER 54 -7.726 -8.174 -6.862 385 HB2 SER 54 2HB SER 54 -8.459 -10.230 -7.598 386 HB3 SER 54 1HB SER 54 -10.022 -10.062 -6.805 387 HG SER 54 HG SER 54 -9.210 -8.612 -9.109 388 H LYS 55 H LYS 55 -11.202 -7.828 -6.223 389 HA LYS 55 HA LYS 55 -11.091 -5.053 -7.311 390 HB2 LYS 55 2HB LYS 55 -12.118 -5.933 -9.144 391 HB3 LYS 55 1HB LYS 55 -12.405 -7.468 -8.339 392 HG2 LYS 55 2HG LYS 55 -14.340 -6.404 -7.145 393 HG3 LYS 55 1HG LYS 55 -14.111 -4.970 -8.148 394 HD2 LYS 55 2HD LYS 55 -14.175 -6.774 -10.108 395 HD3 LYS 55 1HD LYS 55 -15.104 -7.684 -8.916 396 HE2 LYS 55 2HE LYS 55 -16.560 -5.621 -8.620 397 HE3 LYS 55 1HE LYS 55 -15.738 -4.937 -10.036 398 HZ1 LYS 55 3HZ LYS 55 -17.425 -6.076 -11.054 399 HZ2 LYS 55 1HZ LYS 55 -17.492 -7.283 -9.865 400 HZ3 LYS 55 2HZ LYS 55 -16.239 -7.293 -11.013 401 H CYS 56 H CYS 56 -13.421 -4.019 -6.704 402 HA CYS 56 HA CYS 56 -14.473 -5.143 -4.164 403 HB2 CYS 56 2HB CYS 56 -12.879 -2.620 -4.516 404 HB3 CYS 56 1HB CYS 56 -14.087 -2.718 -3.232 405 H PHE 57 H PHE 57 -16.352 -3.742 -3.362 406 HA PHE 57 HA PHE 57 -18.151 -3.181 -5.596 407 HB2 PHE 57 2HB PHE 57 -18.384 -2.908 -2.582 408 HB3 PHE 57 1HB PHE 57 -19.734 -2.789 -3.709 409 HD1 PHE 57 2HD PHE 57 -19.289 -4.867 -5.653 410 HD2 PHE 57 1HD PHE 57 -18.545 -4.931 -1.422 411 HE1 PHE 57 2HE PHE 57 -19.514 -7.337 -5.651 412 HE2 PHE 57 1HE PHE 57 -18.769 -7.400 -1.420 413 HZ PHE 57 HZ PHE 57 -19.253 -8.604 -3.534 414 H ARG 58 H ARG 58 -19.615 -1.049 -5.018 415 HA ARG 58 HA ARG 58 -17.805 1.207 -5.422 416 HB2 ARG 58 2HB ARG 58 -20.144 0.542 -6.491 417 HB3 ARG 58 1HB ARG 58 -20.772 1.447 -5.113 418 HG2 ARG 58 2HG ARG 58 -19.198 3.331 -5.786 419 HG3 ARG 58 1HG ARG 58 -18.918 2.444 -7.285 420 HD2 ARG 58 2HD ARG 58 -20.805 3.367 -8.132 421 HD3 ARG 58 1HD ARG 58 -21.742 2.529 -6.877 422 HE ARG 58 HE ARG 58 -20.911 4.552 -5.397 423 HH11 ARG 58 1HH2 ARG 58 -20.272 5.367 -8.497 424 HH12 ARG 58 2HH2 ARG 58 -21.395 6.680 -8.615 425 HH21 ARG 58 1HH1 ARG 58 -23.004 5.918 -5.639 426 HH22 ARG 58 2HH1 ARG 58 -22.942 6.993 -6.997 427 H HIS 59 H HIS 59 -20.233 0.225 -2.998 428 HA HIS 59 HA HIS 59 -20.223 2.462 -1.315 429 HB2 HIS 59 2HB HIS 59 -21.649 0.538 -0.954 430 HB3 HIS 59 1HB HIS 59 -20.253 -0.513 -0.715 431 HD1 HIS 59 1HD HIS 59 -20.385 -1.122 1.720 432 HD2 HIS 59 2HD HIS 59 -20.898 2.969 1.106 433 HE1 HIS 59 1HE HIS 59 -20.455 -0.056 4.016 434 H GLU 60 H GLU 60 -17.642 0.224 -1.974 435 HA GLU 60 HA GLU 60 -16.023 1.375 0.270 436 HB2 GLU 60 2HB GLU 60 -16.035 -1.245 -1.243 437 HB3 GLU 60 1HB GLU 60 -14.678 -0.767 -0.229 438 HG2 GLU 60 2HG GLU 60 -16.863 -0.276 1.398 439 HG3 GLU 60 1HG GLU 60 -17.326 -1.751 0.550 440 H TYR 61 H TYR 61 -13.562 1.367 -0.411 441 HA TYR 61 HA TYR 61 -13.271 2.059 -3.306 442 HB2 TYR 61 2HB TYR 61 -12.207 4.141 -2.747 443 HB3 TYR 61 1HB TYR 61 -13.701 4.075 -1.820 444 HD1 TYR 61 1HD TYR 61 -13.486 2.939 0.569 445 HD2 TYR 61 2HD TYR 61 -10.214 4.651 -1.627 446 HE1 TYR 61 1HE TYR 61 -12.205 3.185 2.675 447 HE2 TYR 61 2HE TYR 61 -8.935 4.898 0.484 448 HH TYR 61 HH TYR 61 -9.162 3.457 2.950 449 H VAL 62 H VAL 62 -10.650 2.857 -3.239 450 HA VAL 62 HA VAL 62 -9.199 0.489 -2.098 451 HB VAL 62 HB VAL 62 -9.131 1.853 -4.791 452 HG11 VAL 62 1HG1 VAL 62 -6.793 1.675 -3.922 453 HG12 VAL 62 2HG1 VAL 62 -7.079 0.646 -5.326 454 HG13 VAL 62 3HG1 VAL 62 -7.037 -0.058 -3.709 455 HG21 VAL 62 3HG2 VAL 62 -9.256 -1.056 -3.935 456 HG22 VAL 62 1HG2 VAL 62 -9.365 -0.461 -5.591 457 HG23 VAL 62 2HG2 VAL 62 -10.641 -0.084 -4.432 458 H ASP 63 H ASP 63 -8.162 1.495 -0.350 459 HA ASP 63 HA ASP 63 -7.342 4.138 -0.061 460 HB2 ASP 63 2HB ASP 63 -5.578 3.101 1.455 461 HB3 ASP 63 1HB ASP 63 -7.229 2.556 1.744 462 H THR 64 H THR 64 -6.592 4.901 -2.134 463 HA THR 64 HA THR 64 -4.647 3.927 -3.834 464 HB THR 64 HB THR 64 -3.983 6.535 -3.784 465 HG1 THR 64 1HG THR 64 -6.575 6.726 -2.817 466 HG21 THR 64 3HG2 THR 64 -6.694 5.489 -4.644 467 HG22 THR 64 1HG2 THR 64 -5.205 5.335 -5.579 468 HG23 THR 64 2HG2 THR 64 -5.891 6.930 -5.267 469 H TYR 65 H TYR 65 -4.160 5.095 -0.568 470 HA TYR 65 HA TYR 65 -1.301 5.488 -0.718 471 HB2 TYR 65 2HB TYR 65 -3.138 6.273 0.973 472 HB3 TYR 65 1HB TYR 65 -2.841 4.719 1.753 473 HD1 TYR 65 2HD TYR 65 -1.165 7.843 0.590 474 HD2 TYR 65 1HD TYR 65 -0.929 4.369 3.104 475 HE1 TYR 65 2HE TYR 65 0.869 8.763 1.672 476 HE2 TYR 65 1HE TYR 65 1.105 5.288 4.185 477 HH TYR 65 HH TYR 65 1.972 8.180 4.308 478 H TYR 66 H TYR 66 -3.298 2.780 0.536 479 HA TYR 66 HA TYR 66 -0.874 1.134 0.908 480 HB2 TYR 66 2HB TYR 66 -3.800 0.954 1.559 481 HB3 TYR 66 1HB TYR 66 -2.784 -0.483 1.680 482 HD1 TYR 66 1HD TYR 66 -3.315 2.957 2.936 483 HD2 TYR 66 2HD TYR 66 -1.094 -0.691 3.387 484 HE1 TYR 66 1HE TYR 66 -2.430 3.764 5.105 485 HE2 TYR 66 2HE TYR 66 -0.209 0.114 5.558 486 HH TYR 66 HH TYR 66 0.119 2.772 6.535 487 H SER 67 H SER 67 -2.916 1.773 -1.693 488 HA SER 67 HA SER 67 -3.477 -0.713 -2.902 489 HB2 SER 67 2HB SER 67 -3.410 2.020 -3.576 490 HB3 SER 67 1HB SER 67 -2.356 1.241 -4.755 491 HG SER 67 HG SER 67 -4.306 0.956 -5.624 492 H ALA 68 H ALA 68 -0.437 0.866 -2.278 493 HA ALA 68 HA ALA 68 1.188 -0.560 -4.197 494 HB1 ALA 68 1HB ALA 68 2.519 1.107 -3.457 495 HB2 ALA 68 2HB ALA 68 2.704 0.234 -1.935 496 HB3 ALA 68 3HB ALA 68 1.417 1.427 -2.117 497 H VAL 69 H VAL 69 1.165 -0.881 -0.602 498 HA VAL 69 HA VAL 69 2.622 -3.228 -0.381 499 HB VAL 69 HB VAL 69 1.656 -1.828 1.469 500 HG11 VAL 69 1HG1 VAL 69 -0.592 -1.495 1.010 501 HG12 VAL 69 2HG1 VAL 69 -0.656 -2.750 2.246 502 HG13 VAL 69 3HG1 VAL 69 -0.847 -3.176 0.547 503 HG21 VAL 69 3HG2 VAL 69 2.468 -3.638 2.550 504 HG22 VAL 69 1HG2 VAL 69 1.769 -4.750 1.378 505 HG23 VAL 69 2HG2 VAL 69 0.778 -4.123 2.691 506 H CYS 70 H CYS 70 -0.694 -2.870 -1.507 507 HA CYS 70 HA CYS 70 -1.447 -5.649 -1.417 508 HB2 CYS 70 2HB CYS 70 -2.360 -3.096 -2.572 509 HB3 CYS 70 1HB CYS 70 -2.830 -4.512 -3.513 510 H GLY 71 H GLY 71 -0.438 -3.652 -4.226 511 HA2 GLY 71 2HA GLY 71 1.213 -4.373 -5.853 512 HA3 GLY 71 1HA GLY 71 0.952 -6.038 -5.331 513 H ARG 72 H ARG 72 -0.096 -7.213 -6.855 514 HA ARG 72 HA ARG 72 -1.444 -6.090 -9.117 515 HB2 ARG 72 2HB ARG 72 -1.359 -8.802 -7.781 516 HB3 ARG 72 1HB ARG 72 -2.272 -8.530 -9.265 517 HG2 ARG 72 2HG ARG 72 0.577 -7.607 -9.133 518 HG3 ARG 72 1HG ARG 72 0.247 -9.321 -9.383 519 HD2 ARG 72 2HD ARG 72 -1.326 -8.611 -11.276 520 HD3 ARG 72 1HD ARG 72 -0.602 -6.997 -11.131 521 HE ARG 72 HE ARG 72 1.225 -9.328 -11.406 522 HH11 ARG 72 1HH1 ARG 72 2.292 -6.586 -11.657 523 HH12 ARG 72 2HH1 ARG 72 2.327 -6.338 -13.371 524 HH21 ARG 72 1HH2 ARG 72 0.175 -8.968 -14.062 525 HH22 ARG 72 2HH2 ARG 72 1.128 -7.686 -14.732 526 H TYR 73 H TYR 73 -2.584 -7.099 -5.929 527 HA TYR 73 HA TYR 73 -5.425 -6.831 -6.685 528 HB2 TYR 73 2HB TYR 73 -3.824 -7.563 -4.239 529 HB3 TYR 73 1HB TYR 73 -5.550 -7.236 -4.099 530 HD1 TYR 73 1HD TYR 73 -4.276 -8.603 -7.240 531 HD2 TYR 73 2HD TYR 73 -5.929 -9.597 -3.402 532 HE1 TYR 73 1HE TYR 73 -4.775 -10.892 -8.048 533 HE2 TYR 73 2HE TYR 73 -6.429 -11.886 -4.211 534 HH TYR 73 HH TYR 73 -5.128 -13.149 -7.070 535 H PHE 74 H PHE 74 -6.653 -5.546 -4.724 536 HA PHE 74 HA PHE 74 -5.325 -2.865 -4.461 537 HB2 PHE 74 2HB PHE 74 -8.226 -3.539 -5.046 538 HB3 PHE 74 1HB PHE 74 -7.584 -1.911 -4.836 539 HD1 PHE 74 2HD PHE 74 -7.168 -4.999 -6.881 540 HD2 PHE 74 1HD PHE 74 -6.685 -0.742 -6.655 541 HE1 PHE 74 2HE PHE 74 -6.564 -4.947 -9.282 542 HE2 PHE 74 1HE PHE 74 -6.082 -0.682 -9.057 543 HZ PHE 74 HZ PHE 74 -6.014 -2.787 -10.376 544 H CYS 75 H CYS 75 -5.208 -2.253 -2.326 545 HA CYS 75 HA CYS 75 -6.593 -3.821 -0.279 546 HB2 CYS 75 2HB CYS 75 -4.299 -2.215 -0.506 547 HB3 CYS 75 1HB CYS 75 -5.363 -1.338 0.596 548 H CYS 76 H CYS 76 -8.832 -3.420 -0.503 549 HA CYS 76 HA CYS 76 -9.851 -0.714 -0.848 550 HB2 CYS 76 2HB CYS 76 -11.198 -3.324 -0.116 551 HB3 CYS 76 1HB CYS 76 -12.016 -1.876 -0.698 552 H ARG 77 H ARG 77 -11.537 0.109 0.709 553 HA ARG 77 HA ARG 77 -11.291 -0.694 3.524 554 HB2 ARG 77 2HB ARG 77 -9.437 1.079 2.427 555 HB3 ARG 77 1HB ARG 77 -10.607 2.133 3.220 556 HG2 ARG 77 2HG ARG 77 -10.036 -0.146 4.898 557 HG3 ARG 77 1HG ARG 77 -8.537 0.672 4.452 558 HD2 ARG 77 2HD ARG 77 -10.634 2.589 5.113 559 HD3 ARG 77 1HD ARG 77 -10.294 1.491 6.464 560 HE ARG 77 HE ARG 77 -7.808 2.252 5.326 561 HH11 ARG 77 1HH1 ARG 77 -10.063 4.580 5.677 562 HH12 ARG 77 2HH1 ARG 77 -9.335 5.400 7.018 563 HH21 ARG 77 1HH2 ARG 77 -7.031 2.886 7.644 564 HH22 ARG 77 2HH2 ARG 77 -7.617 4.440 8.130 565 H SER 78 H SER 78 -12.644 0.875 4.897 566 HA SER 78 HA SER 78 -15.091 1.597 3.359 567 HB2 SER 78 2HB SER 78 -14.411 1.111 6.266 568 HB3 SER 78 1HB SER 78 -15.978 1.743 5.768 569 HG SER 78 HG SER 78 -16.317 -0.376 5.678 570 H ARG 79 H ARG 79 -14.796 3.685 2.560 571 HA ARG 79 HA ARG 79 -13.529 5.771 4.220 572 HB2 ARG 79 2HB ARG 79 -13.240 5.415 1.720 573 HB3 ARG 79 1HB ARG 79 -14.904 5.965 1.524 574 HG2 ARG 79 2HG ARG 79 -13.706 7.950 1.232 575 HG3 ARG 79 1HG ARG 79 -14.110 8.019 2.947 576 HD2 ARG 79 2HD ARG 79 -11.902 7.148 3.547 577 HD3 ARG 79 1HD ARG 79 -11.489 6.958 1.832 578 HE ARG 79 HE ARG 79 -12.215 9.636 2.954 579 HH11 ARG 79 1HH2 ARG 79 -11.084 8.112 0.231 580 HH12 ARG 79 2HH2 ARG 79 -9.665 9.088 0.037 581 HH21 ARG 79 1HH1 ARG 79 -9.997 10.648 3.117 582 HH22 ARG 79 2HH1 ARG 79 -9.050 10.525 1.672 Start of MODEL 8 1 H1 ASN 1 1HT ASN 1 14.309 13.874 -8.214 2 H2 ASN 1 2HT ASN 1 14.516 13.481 -6.574 3 H3 ASN 1 3HT ASN 1 12.956 13.720 -7.202 4 HA ASN 1 HA ASN 1 13.482 11.773 -8.759 5 HB2 ASN 1 2HB ASN 1 15.312 10.383 -8.008 6 HB3 ASN 1 1HB ASN 1 15.927 12.031 -8.137 7 HD21 ASN 1 1HD2 ASN 1 16.488 13.149 -6.165 8 HD22 ASN 1 2HD2 ASN 1 16.522 12.367 -4.659 9 HA PRO 2 HA PRO 2 10.550 10.412 -5.678 10 HB2 PRO 2 2HB PRO 2 9.401 8.460 -7.214 11 HB3 PRO 2 1HB PRO 2 9.034 10.185 -7.411 12 HG2 PRO 2 2HG PRO 2 10.818 8.435 -9.019 13 HG3 PRO 2 1HG PRO 2 9.748 9.745 -9.543 14 HD2 PRO 2 2HD PRO 2 12.461 10.001 -9.272 15 HD3 PRO 2 1HD PRO 2 11.317 11.355 -9.143 16 H LEU 3 H LEU 3 10.738 8.805 -4.117 17 HA LEU 3 HA LEU 3 12.566 6.505 -4.741 18 HB2 LEU 3 2HB LEU 3 12.675 8.585 -2.809 19 HB3 LEU 3 1HB LEU 3 12.308 7.100 -1.931 20 HG LEU 3 HG LEU 3 14.317 6.585 -3.943 21 HD11 LEU 3 1HD1 LEU 3 15.652 8.228 -1.950 22 HD12 LEU 3 2HD1 LEU 3 14.505 9.179 -2.894 23 HD13 LEU 3 3HD1 LEU 3 15.786 8.281 -3.707 24 HD21 LEU 3 3HD2 LEU 3 14.969 5.185 -2.295 25 HD22 LEU 3 1HD2 LEU 3 13.611 5.790 -1.346 26 HD23 LEU 3 2HD2 LEU 3 15.203 6.526 -1.173 27 H ILE 4 H ILE 4 12.061 5.034 -2.416 28 HA ILE 4 HA ILE 4 9.767 3.516 -3.045 29 HB ILE 4 HB ILE 4 11.604 3.898 -0.720 30 HG12 ILE 4 2HG1 ILE 4 12.114 2.388 -2.625 31 HG13 ILE 4 1HG1 ILE 4 11.988 1.504 -1.104 32 HG21 ILE 4 1HG2 ILE 4 9.090 2.204 -0.527 33 HG22 ILE 4 2HG2 ILE 4 9.344 3.719 0.336 34 HG23 ILE 4 3HG2 ILE 4 10.363 2.323 0.686 35 HD11 ILE 4 3HD1 ILE 4 10.728 0.224 -2.664 36 HD12 ILE 4 1HD1 ILE 4 9.961 1.663 -3.338 37 HD13 ILE 4 2HD1 ILE 4 9.528 1.108 -1.721 38 HA PRO 5 HA PRO 5 6.492 5.998 -1.445 39 HB2 PRO 5 2HB PRO 5 4.586 4.053 -1.210 40 HB3 PRO 5 1HB PRO 5 5.076 4.734 -2.770 41 HG2 PRO 5 2HG PRO 5 5.817 2.157 -1.519 42 HG3 PRO 5 1HG PRO 5 5.553 2.547 -3.223 43 HD2 PRO 5 2HD PRO 5 8.030 2.266 -2.054 44 HD3 PRO 5 1HD PRO 5 7.713 3.194 -3.535 45 H ALA 6 H ALA 6 5.116 6.095 0.536 46 HA ALA 6 HA ALA 6 6.562 5.161 2.887 47 HB1 ALA 6 1HB ALA 6 5.373 7.415 2.435 48 HB2 ALA 6 2HB ALA 6 5.141 6.685 4.024 49 HB3 ALA 6 3HB ALA 6 3.882 6.544 2.796 50 H ILE 7 H ILE 7 3.741 4.202 1.076 51 HA ILE 7 HA ILE 7 2.202 2.811 2.952 52 HB ILE 7 HB ILE 7 1.367 2.990 0.768 53 HG12 ILE 7 2HG1 ILE 7 0.944 0.740 0.031 54 HG13 ILE 7 1HG1 ILE 7 2.422 0.151 0.794 55 HG21 ILE 7 1HG2 ILE 7 3.204 1.504 -0.850 56 HG22 ILE 7 2HG2 ILE 7 4.115 2.726 0.030 57 HG23 ILE 7 3HG2 ILE 7 2.758 3.202 -0.987 58 HD11 ILE 7 3HD1 ILE 7 0.163 1.436 2.345 59 HD12 ILE 7 1HD1 ILE 7 1.544 0.551 2.993 60 HD13 ILE 7 2HD1 ILE 7 0.292 -0.304 2.094 61 H TYR 8 H TYR 8 4.760 1.282 0.951 62 HA TYR 8 HA TYR 8 4.827 -1.238 2.104 63 HB2 TYR 8 2HB TYR 8 7.139 0.546 1.273 64 HB3 TYR 8 1HB TYR 8 7.230 -1.206 1.444 65 HD1 TYR 8 1HD TYR 8 4.365 -1.749 0.407 66 HD2 TYR 8 2HD TYR 8 7.615 0.621 -1.098 67 HE1 TYR 8 1HE TYR 8 3.489 -2.011 -1.893 68 HE2 TYR 8 2HE TYR 8 6.736 0.360 -3.401 69 HH TYR 8 HH TYR 8 3.832 -0.383 -4.187 70 H ILE 9 H ILE 9 5.952 1.789 3.484 71 HA ILE 9 HA ILE 9 7.489 0.631 5.641 72 HB ILE 9 HB ILE 9 6.035 3.290 5.554 73 HG12 ILE 9 2HG1 ILE 9 8.626 2.405 4.257 74 HG13 ILE 9 1HG1 ILE 9 7.229 3.147 3.478 75 HG21 ILE 9 1HG2 ILE 9 7.451 3.961 7.236 76 HG22 ILE 9 2HG2 ILE 9 8.765 2.919 6.688 77 HG23 ILE 9 3HG2 ILE 9 7.420 2.235 7.602 78 HD11 ILE 9 3HD1 ILE 9 7.619 5.227 4.746 79 HD12 ILE 9 1HD1 ILE 9 9.039 4.795 3.795 80 HD13 ILE 9 2HD1 ILE 9 9.013 4.488 5.532 81 H GLY 10 H GLY 10 6.739 -0.250 7.540 82 HA2 GLY 10 2HA GLY 10 5.193 -1.039 9.124 83 HA3 GLY 10 1HA GLY 10 4.408 0.534 8.941 84 H ALA 11 H ALA 11 4.883 -1.708 6.282 85 HA ALA 11 HA ALA 11 1.902 -2.127 6.202 86 HB1 ALA 11 1HB ALA 11 3.920 -1.203 4.250 87 HB2 ALA 11 2HB ALA 11 2.194 -0.855 4.326 88 HB3 ALA 11 3HB ALA 11 2.758 -2.368 3.617 89 H THR 12 H THR 12 1.872 -3.983 4.096 90 HA THR 12 HA THR 12 3.725 -6.186 4.821 91 HB THR 12 HB THR 12 0.791 -6.031 5.480 92 HG1 THR 12 1HG THR 12 1.895 -5.823 7.274 93 HG21 THR 12 3HG2 THR 12 2.356 -8.469 4.680 94 HG22 THR 12 1HG2 THR 12 0.698 -8.030 4.272 95 HG23 THR 12 2HG2 THR 12 1.085 -8.600 5.895 96 H VAL 13 H VAL 13 4.370 -6.335 2.619 97 HA VAL 13 HA VAL 13 2.292 -6.508 0.515 98 HB VAL 13 HB VAL 13 4.155 -6.281 -0.963 99 HG11 VAL 13 1HG1 VAL 13 5.305 -4.349 -0.123 100 HG12 VAL 13 2HG1 VAL 13 5.055 -4.852 1.549 101 HG13 VAL 13 3HG1 VAL 13 3.687 -4.315 0.575 102 HG21 VAL 13 3HG2 VAL 13 5.529 -8.101 -0.050 103 HG22 VAL 13 1HG2 VAL 13 5.884 -7.135 1.382 104 HG23 VAL 13 2HG2 VAL 13 6.495 -6.633 -0.195 105 H GLY 14 H GLY 14 3.078 -8.350 -1.221 106 HA2 GLY 14 2HA GLY 14 2.842 -10.897 0.284 107 HA3 GLY 14 1HA GLY 14 2.532 -10.690 -1.441 108 HA PRO 15 HA PRO 15 6.725 -12.521 -1.023 109 HB2 PRO 15 2HB PRO 15 6.371 -14.400 -2.981 110 HB3 PRO 15 1HB PRO 15 5.904 -14.668 -1.290 111 HG2 PRO 15 2HG PRO 15 4.214 -13.955 -3.630 112 HG3 PRO 15 1HG PRO 15 3.862 -15.028 -2.267 113 HD2 PRO 15 2HD PRO 15 2.905 -12.473 -2.488 114 HD3 PRO 15 1HD PRO 15 3.141 -13.315 -0.941 115 H SER 16 H SER 16 4.889 -12.066 -4.068 116 HA SER 16 HA SER 16 7.171 -11.522 -5.722 117 HB2 SER 16 2HB SER 16 5.349 -11.952 -7.030 118 HB3 SER 16 1HB SER 16 4.225 -11.364 -5.807 119 HG SER 16 HG SER 16 4.758 -10.143 -7.957 120 H VAL 17 H VAL 17 4.847 -9.321 -4.103 121 HA VAL 17 HA VAL 17 5.995 -6.868 -4.961 122 HB VAL 17 HB VAL 17 4.703 -7.480 -2.288 123 HG11 VAL 17 1HG1 VAL 17 5.244 -5.232 -2.199 124 HG12 VAL 17 2HG1 VAL 17 3.686 -5.127 -3.020 125 HG13 VAL 17 3HG1 VAL 17 5.181 -5.041 -3.951 126 HG21 VAL 17 3HG2 VAL 17 2.649 -6.685 -3.852 127 HG22 VAL 17 1HG2 VAL 17 3.076 -8.382 -3.636 128 HG23 VAL 17 2HG2 VAL 17 3.631 -7.508 -5.063 129 H TRP 18 H TRP 18 6.633 -8.778 -1.999 130 HA TRP 18 HA TRP 18 8.501 -7.119 -0.732 131 HB2 TRP 18 2HB TRP 18 7.485 -9.414 -0.096 132 HB3 TRP 18 1HB TRP 18 8.831 -10.111 -0.998 133 HD1 TRP 18 HD TRP 18 8.991 -6.960 1.189 134 HE1 TRP 18 1HE TRP 18 10.707 -7.353 3.072 135 HE3 TRP 18 3HE TRP 18 10.129 -11.861 0.329 136 HZ2 TRP 18 2HZ TRP 18 12.347 -9.470 4.079 137 HZ3 TRP 18 3HZ TRP 18 11.771 -13.040 1.762 138 HH2 TRP 18 HH TRP 18 12.881 -11.852 3.634 139 H ALA 19 H ALA 19 9.372 -9.819 -2.929 140 HA ALA 19 HA ALA 19 12.103 -9.301 -3.208 141 HB1 ALA 19 1HB ALA 19 9.983 -10.713 -4.587 142 HB2 ALA 19 2HB ALA 19 11.692 -11.132 -4.468 143 HB3 ALA 19 3HB ALA 19 11.135 -10.054 -5.749 144 H TYR 20 H TYR 20 9.394 -7.689 -4.818 145 HA TYR 20 HA TYR 20 10.906 -6.199 -6.745 146 HB2 TYR 20 2HB TYR 20 8.428 -6.593 -6.687 147 HB3 TYR 20 1HB TYR 20 8.322 -5.487 -5.316 148 HD1 TYR 20 2HD TYR 20 10.475 -5.263 -8.360 149 HD2 TYR 20 1HD TYR 20 7.181 -3.602 -6.161 150 HE1 TYR 20 2HE TYR 20 10.409 -3.334 -9.916 151 HE2 TYR 20 1HE TYR 20 7.114 -1.673 -7.717 152 HH TYR 20 HH TYR 20 8.665 -0.504 -9.259 153 H LEU 21 H LEU 21 9.376 -4.901 -3.773 154 HA LEU 21 HA LEU 21 10.729 -2.454 -3.642 155 HB2 LEU 21 2HB LEU 21 8.849 -3.635 -2.212 156 HB3 LEU 21 1HB LEU 21 10.202 -4.101 -1.183 157 HG LEU 21 HG LEU 21 9.392 -1.286 -1.956 158 HD11 LEU 21 1HD1 LEU 21 9.725 -2.358 0.832 159 HD12 LEU 21 2HD1 LEU 21 8.239 -2.691 -0.057 160 HD13 LEU 21 3HD1 LEU 21 8.719 -1.025 0.266 161 HD21 LEU 21 3HD2 LEU 21 11.737 -1.164 -1.912 162 HD22 LEU 21 1HD2 LEU 21 11.873 -2.403 -0.665 163 HD23 LEU 21 2HD2 LEU 21 11.306 -0.787 -0.244 164 H VAL 22 H VAL 22 11.918 -5.673 -2.949 165 HA VAL 22 HA VAL 22 14.246 -4.869 -1.414 166 HB VAL 22 HB VAL 22 13.339 -7.336 -2.904 167 HG11 VAL 22 1HG1 VAL 22 15.656 -7.593 -3.135 168 HG12 VAL 22 2HG1 VAL 22 15.350 -8.381 -1.587 169 HG13 VAL 22 3HG1 VAL 22 15.997 -6.741 -1.629 170 HG21 VAL 22 3HG2 VAL 22 12.188 -7.002 -0.833 171 HG22 VAL 22 1HG2 VAL 22 13.673 -6.540 -0.004 172 HG23 VAL 22 2HG2 VAL 22 13.427 -8.213 -0.501 173 H ALA 23 H ALA 23 13.660 -5.675 -4.831 174 HA ALA 23 HA ALA 23 16.356 -5.450 -5.734 175 HB1 ALA 23 1HB ALA 23 15.155 -5.019 -7.944 176 HB2 ALA 23 2HB ALA 23 13.648 -5.020 -7.025 177 HB3 ALA 23 3HB ALA 23 14.646 -6.473 -7.087 178 H LEU 24 H LEU 24 13.879 -3.070 -5.020 179 HA LEU 24 HA LEU 24 15.211 -0.846 -6.327 180 HB2 LEU 24 2HB LEU 24 12.700 -1.359 -5.578 181 HB3 LEU 24 1HB LEU 24 13.226 -0.525 -4.116 182 HG LEU 24 HG LEU 24 14.070 1.344 -5.602 183 HD11 LEU 24 1HD1 LEU 24 13.173 1.431 -7.894 184 HD12 LEU 24 2HD1 LEU 24 12.441 -0.159 -7.676 185 HD13 LEU 24 3HD1 LEU 24 14.197 0.010 -7.683 186 HD21 LEU 24 3HD2 LEU 24 11.357 0.632 -4.873 187 HD22 LEU 24 1HD2 LEU 24 11.360 1.590 -6.354 188 HD23 LEU 24 2HD2 LEU 24 12.116 2.223 -4.893 189 H VAL 25 H VAL 25 14.799 -1.878 -2.919 190 HA VAL 25 HA VAL 25 17.015 0.001 -2.170 191 HB VAL 25 HB VAL 25 15.919 0.204 -0.067 192 HG11 VAL 25 1HG1 VAL 25 13.879 1.120 -0.674 193 HG12 VAL 25 2HG1 VAL 25 13.487 -0.214 -1.760 194 HG13 VAL 25 3HG1 VAL 25 14.660 1.008 -2.251 195 HG21 VAL 25 3HG2 VAL 25 14.075 -1.304 0.623 196 HG22 VAL 25 1HG2 VAL 25 15.567 -2.200 0.343 197 HG23 VAL 25 2HG2 VAL 25 14.282 -2.226 -0.865 198 H GLY 26 H GLY 26 15.679 -3.243 -1.566 199 HA2 GLY 26 2HA GLY 26 17.372 -5.118 -1.605 200 HA3 GLY 26 1HA GLY 26 18.378 -4.084 -0.586 201 H ALA 27 H ALA 27 17.740 -6.554 0.441 202 HA ALA 27 HA ALA 27 15.296 -6.648 1.928 203 HB1 ALA 27 1HB ALA 27 16.242 -8.603 2.835 204 HB2 ALA 27 2HB ALA 27 17.875 -7.938 2.792 205 HB3 ALA 27 3HB ALA 27 17.091 -8.448 1.297 206 H ALA 28 H ALA 28 18.421 -5.169 2.578 207 HA ALA 28 HA ALA 28 18.114 -4.794 5.398 208 HB1 ALA 28 1HB ALA 28 20.235 -4.586 4.167 209 HB2 ALA 28 2HB ALA 28 19.884 -3.081 5.015 210 HB3 ALA 28 3HB ALA 28 19.595 -3.202 3.279 211 H ALA 29 H ALA 29 17.493 -2.543 2.674 212 HA ALA 29 HA ALA 29 16.357 -0.462 4.283 213 HB1 ALA 29 1HB ALA 29 16.688 -1.206 1.467 214 HB2 ALA 29 2HB ALA 29 16.762 0.390 2.215 215 HB3 ALA 29 3HB ALA 29 15.204 -0.298 1.760 216 H VAL 30 H VAL 30 14.876 -3.135 2.454 217 HA VAL 30 HA VAL 30 12.148 -2.513 3.027 218 HB VAL 30 HB VAL 30 13.637 -5.092 2.451 219 HG11 VAL 30 1HG1 VAL 30 10.664 -4.505 2.535 220 HG12 VAL 30 2HG1 VAL 30 11.542 -5.692 3.500 221 HG13 VAL 30 3HG1 VAL 30 11.357 -5.931 1.763 222 HG21 VAL 30 3HG2 VAL 30 13.039 -2.844 0.873 223 HG22 VAL 30 1HG2 VAL 30 11.847 -4.060 0.410 224 HG23 VAL 30 2HG2 VAL 30 13.568 -4.425 0.296 225 H THR 31 H THR 31 14.652 -4.080 4.948 226 HA THR 31 HA THR 31 12.744 -5.194 6.892 227 HB THR 31 HB THR 31 15.759 -4.912 6.743 228 HG1 THR 31 1HG THR 31 15.509 -7.222 6.481 229 HG21 THR 31 3HG2 THR 31 14.110 -6.455 8.763 230 HG22 THR 31 1HG2 THR 31 14.953 -4.943 9.100 231 HG23 THR 31 2HG2 THR 31 15.871 -6.389 8.680 232 H ALA 32 H ALA 32 14.790 -2.330 6.578 233 HA ALA 32 HA ALA 32 14.384 -1.473 9.352 234 HB1 ALA 32 1HB ALA 32 15.813 0.311 8.711 235 HB2 ALA 32 2HB ALA 32 15.331 0.196 7.017 236 HB3 ALA 32 3HB ALA 32 16.362 -1.046 7.728 237 H ALA 33 H ALA 33 12.671 -1.202 6.363 238 HA ALA 33 HA ALA 33 11.194 1.231 7.167 239 HB1 ALA 33 1HB ALA 33 10.120 -0.157 4.888 240 HB2 ALA 33 2HB ALA 33 11.880 -0.161 4.780 241 HB3 ALA 33 3HB ALA 33 11.008 1.366 4.920 242 H ASN 34 H ASN 34 11.042 -1.834 8.232 243 HA ASN 34 HA ASN 34 9.342 -3.127 9.237 244 HB2 ASN 34 2HB ASN 34 8.928 -0.948 10.308 245 HB3 ASN 34 1HB ASN 34 7.909 -0.465 8.952 246 HD21 ASN 34 1HD2 ASN 34 6.740 -0.504 11.492 247 HD22 ASN 34 2HD2 ASN 34 5.661 -1.809 11.611 248 H ILE 35 H ILE 35 9.377 -4.195 6.991 249 HA ILE 35 HA ILE 35 6.681 -3.900 5.701 250 HB ILE 35 HB ILE 35 9.455 -4.303 4.564 251 HG12 ILE 35 2HG1 ILE 35 7.484 -2.472 3.333 252 HG13 ILE 35 1HG1 ILE 35 7.973 -2.040 4.972 253 HG21 ILE 35 1HG2 ILE 35 8.529 -5.722 3.061 254 HG22 ILE 35 2HG2 ILE 35 7.707 -4.303 2.412 255 HG23 ILE 35 3HG2 ILE 35 6.891 -5.334 3.587 256 HD11 ILE 35 3HD1 ILE 35 9.917 -2.663 2.732 257 HD12 ILE 35 1HD1 ILE 35 10.315 -2.050 4.337 258 HD13 ILE 35 2HD1 ILE 35 9.436 -1.031 3.197 259 H ARG 36 H ARG 36 5.552 -5.734 6.263 260 HA ARG 36 HA ARG 36 7.035 -8.285 6.674 261 HB2 ARG 36 2HB ARG 36 4.162 -7.477 7.230 262 HB3 ARG 36 1HB ARG 36 4.950 -8.950 7.794 263 HG2 ARG 36 2HG ARG 36 6.718 -7.143 8.720 264 HG3 ARG 36 1HG ARG 36 5.260 -6.152 8.755 265 HD2 ARG 36 2HD ARG 36 5.101 -8.936 9.862 266 HD3 ARG 36 1HD ARG 36 5.870 -7.672 10.842 267 HE ARG 36 HE ARG 36 3.035 -7.722 10.010 268 HH11 ARG 36 1HH2 ARG 36 5.590 -5.548 10.570 269 HH12 ARG 36 2HH2 ARG 36 4.690 -4.523 11.637 270 HH21 ARG 36 1HH1 ARG 36 1.911 -6.594 11.712 271 HH22 ARG 36 2HH1 ARG 36 2.608 -5.116 12.285 272 H ARG 37 H ARG 37 6.249 -10.246 5.638 273 HA ARG 37 HA ARG 37 5.037 -9.733 2.961 274 HB2 ARG 37 2HB ARG 37 7.005 -11.547 4.170 275 HB3 ARG 37 1HB ARG 37 5.867 -12.375 3.106 276 HG2 ARG 37 2HG ARG 37 6.339 -10.525 1.402 277 HG3 ARG 37 1HG ARG 37 7.696 -10.067 2.433 278 HD2 ARG 37 2HD ARG 37 8.276 -11.687 0.545 279 HD3 ARG 37 1HD ARG 37 8.719 -12.253 2.168 280 HE ARG 37 HE ARG 37 6.010 -13.001 1.305 281 HH11 ARG 37 1HH1 ARG 37 8.067 -14.228 -0.569 282 HH12 ARG 37 2HH1 ARG 37 8.373 -15.745 0.211 283 HH21 ARG 37 1HH2 ARG 37 6.950 -14.785 3.225 284 HH22 ARG 37 2HH2 ARG 37 7.739 -16.060 2.359 285 H ALA 38 H ALA 38 3.334 -11.218 2.217 286 HA ALA 38 HA ALA 38 1.804 -12.497 4.460 287 HB1 ALA 38 1HB ALA 38 -0.024 -11.261 3.884 288 HB2 ALA 38 2HB ALA 38 0.297 -11.430 2.158 289 HB3 ALA 38 3HB ALA 38 1.148 -10.204 3.098 290 H SER 39 H SER 39 -0.105 -13.830 3.187 291 HA SER 39 HA SER 39 1.156 -16.075 1.973 292 HB2 SER 39 2HB SER 39 -0.961 -16.335 3.017 293 HB3 SER 39 1HB SER 39 -1.660 -14.992 2.117 294 HG SER 39 HG SER 39 -1.831 -17.483 1.494 295 H SER 40 H SER 40 0.019 -13.061 0.608 296 HA SER 40 HA SER 40 1.297 -13.526 -1.928 297 HB2 SER 40 2HB SER 40 -1.556 -14.313 -1.532 298 HB3 SER 40 1HB SER 40 -1.133 -13.547 -3.060 299 HG SER 40 HG SER 40 -0.835 -15.758 -3.247 300 H ASP 41 H ASP 41 -0.088 -11.915 -3.619 301 HA ASP 41 HA ASP 41 0.413 -9.272 -2.737 302 HB2 ASP 41 2HB ASP 41 -1.246 -10.562 -4.896 303 HB3 ASP 41 1HB ASP 41 -1.251 -8.807 -4.709 304 H ASN 42 H ASN 42 -2.363 -11.336 -2.233 305 HA ASN 42 HA ASN 42 -4.103 -9.098 -1.388 306 HB2 ASN 42 2HB ASN 42 -5.052 -10.945 -2.647 307 HB3 ASN 42 1HB ASN 42 -4.386 -12.118 -1.509 308 HD21 ASN 42 1HD2 ASN 42 -7.165 -12.118 -1.956 309 HD22 ASN 42 2HD2 ASN 42 -7.962 -11.528 -0.579 310 H HIS 43 H HIS 43 -3.607 -8.279 0.644 311 HA HIS 43 HA HIS 43 -3.458 -10.216 2.893 312 HB2 HIS 43 2HB HIS 43 -1.446 -8.717 3.686 313 HB3 HIS 43 1HB HIS 43 -1.168 -10.000 2.514 314 HD1 HIS 43 1HD HIS 43 -1.218 -6.274 2.870 315 HD2 HIS 43 2HD HIS 43 -0.667 -9.092 -0.152 316 HE1 HIS 43 1HE HIS 43 -0.190 -5.028 0.906 317 H SER 44 H SER 44 -3.088 -8.699 5.003 318 HA SER 44 HA SER 44 -5.414 -6.896 5.037 319 HB2 SER 44 2HB SER 44 -3.668 -7.094 7.404 320 HB3 SER 44 1HB SER 44 -5.393 -7.418 7.257 321 HG SER 44 HG SER 44 -3.624 -9.201 7.565 322 H CYS 45 H CYS 45 -5.220 -4.702 4.758 323 HA CYS 45 HA CYS 45 -2.542 -3.460 5.287 324 HB2 CYS 45 2HB CYS 45 -3.342 -1.928 3.305 325 HB3 CYS 45 1HB CYS 45 -2.645 -3.503 2.959 326 H ALA 46 H ALA 46 -2.783 -1.003 5.483 327 HA ALA 46 HA ALA 46 -3.692 0.820 6.690 328 HB1 ALA 46 1HB ALA 46 -5.828 1.355 5.957 329 HB2 ALA 46 2HB ALA 46 -6.429 -0.285 6.203 330 HB3 ALA 46 3HB ALA 46 -5.445 0.090 4.788 331 H GLY 47 H GLY 47 -3.131 -1.786 8.028 332 HA2 GLY 47 2HA GLY 47 -3.390 -2.668 10.190 333 HA3 GLY 47 1HA GLY 47 -4.339 -1.230 10.585 334 H ASN 48 H ASN 48 -6.068 -2.314 11.604 335 HA ASN 48 HA ASN 48 -7.433 -4.502 10.202 336 HB2 ASN 48 2HB ASN 48 -7.139 -3.482 12.863 337 HB3 ASN 48 1HB ASN 48 -8.859 -3.532 12.475 338 HD21 ASN 48 1HD2 ASN 48 -7.011 -5.360 14.194 339 HD22 ASN 48 2HD2 ASN 48 -7.383 -6.922 13.642 340 H ARG 49 H ARG 49 -7.397 -1.839 8.912 341 HA ARG 49 HA ARG 49 -10.277 -1.073 9.128 342 HB2 ARG 49 2HB ARG 49 -7.705 0.349 8.526 343 HB3 ARG 49 1HB ARG 49 -9.224 1.024 7.938 344 HG2 ARG 49 2HG ARG 49 -9.584 0.210 10.662 345 HG3 ARG 49 1HG ARG 49 -8.131 1.205 10.559 346 HD2 ARG 49 2HD ARG 49 -9.631 2.784 9.086 347 HD3 ARG 49 1HD ARG 49 -10.972 1.938 9.883 348 HE ARG 49 HE ARG 49 -10.228 2.805 11.996 349 HH11 ARG 49 1HH2 ARG 49 -9.831 5.291 10.361 350 HH12 ARG 49 2HH2 ARG 49 -8.216 5.748 10.789 351 HH21 ARG 49 1HH1 ARG 49 -7.409 2.653 12.127 352 HH22 ARG 49 2HH1 ARG 49 -6.844 4.254 11.787 353 H GLY 50 H GLY 50 -7.669 -1.830 6.803 354 HA2 GLY 50 2HA GLY 50 -9.831 -2.175 4.763 355 HA3 GLY 50 1HA GLY 50 -8.328 -1.356 4.348 356 H TRP 51 H TRP 51 -9.247 -3.675 3.022 357 HA TRP 51 HA TRP 51 -7.103 -5.631 3.780 358 HB2 TRP 51 2HB TRP 51 -10.038 -5.911 3.399 359 HB3 TRP 51 1HB TRP 51 -9.053 -7.173 2.664 360 HD1 TRP 51 HD TRP 51 -10.362 -5.971 5.950 361 HE1 TRP 51 1HE TRP 51 -9.492 -7.485 7.848 362 HE3 TRP 51 3HE TRP 51 -6.844 -8.649 3.399 363 HZ2 TRP 51 2HZ TRP 51 -7.560 -9.559 8.231 364 HZ3 TRP 51 3HZ TRP 51 -5.504 -10.385 4.553 365 HH2 TRP 51 HH TRP 51 -5.857 -10.844 6.963 366 H CYS 52 H CYS 52 -6.769 -7.149 1.707 367 HA CYS 52 HA CYS 52 -6.902 -5.358 -0.698 368 HB2 CYS 52 2HB CYS 52 -4.764 -6.823 0.635 369 HB3 CYS 52 1HB CYS 52 -4.850 -7.191 -1.086 370 H ARG 53 H ARG 53 -8.346 -6.123 -2.146 371 HA ARG 53 HA ARG 53 -8.484 -9.082 -2.626 372 HB2 ARG 53 2HB ARG 53 -10.848 -7.214 -2.837 373 HB3 ARG 53 1HB ARG 53 -10.852 -8.958 -2.621 374 HG2 ARG 53 2HG ARG 53 -11.142 -8.570 -0.423 375 HG3 ARG 53 1HG ARG 53 -9.470 -8.008 -0.394 376 HD2 ARG 53 2HD ARG 53 -10.350 -5.726 -1.115 377 HD3 ARG 53 1HD ARG 53 -11.974 -6.343 -0.752 378 HE ARG 53 HE ARG 53 -9.776 -6.043 1.240 379 HH11 ARG 53 1HH1 ARG 53 -11.571 -8.338 1.883 380 HH12 ARG 53 2HH1 ARG 53 -12.799 -7.588 2.848 381 HH21 ARG 53 1HH2 ARG 53 -11.992 -4.369 1.845 382 HH22 ARG 53 2HH2 ARG 53 -13.037 -5.341 2.826 383 H SER 54 H SER 54 -9.570 -9.463 -4.867 384 HA SER 54 HA SER 54 -8.126 -8.185 -6.938 385 HB2 SER 54 2HB SER 54 -9.339 -9.637 -8.254 386 HB3 SER 54 1HB SER 54 -9.795 -10.312 -6.692 387 HG SER 54 HG SER 54 -11.706 -9.282 -6.795 388 H LYS 55 H LYS 55 -11.445 -7.593 -5.799 389 HA LYS 55 HA LYS 55 -11.276 -4.824 -6.904 390 HB2 LYS 55 2HB LYS 55 -12.710 -5.612 -8.490 391 HB3 LYS 55 1HB LYS 55 -12.986 -7.105 -7.607 392 HG2 LYS 55 2HG LYS 55 -14.544 -5.841 -6.092 393 HG3 LYS 55 1HG LYS 55 -14.372 -4.447 -7.163 394 HD2 LYS 55 2HD LYS 55 -15.083 -6.008 -9.065 395 HD3 LYS 55 1HD LYS 55 -15.558 -7.152 -7.810 396 HE2 LYS 55 2HE LYS 55 -17.104 -5.507 -6.845 397 HE3 LYS 55 1HE LYS 55 -16.596 -4.304 -8.046 398 HZ1 LYS 55 3HZ LYS 55 -17.367 -6.925 -9.059 399 HZ2 LYS 55 1HZ LYS 55 -17.637 -5.387 -9.721 400 HZ3 LYS 55 2HZ LYS 55 -18.627 -5.954 -8.462 401 H CYS 56 H CYS 56 -13.320 -3.571 -5.896 402 HA CYS 56 HA CYS 56 -13.521 -4.382 -3.011 403 HB2 CYS 56 2HB CYS 56 -13.655 -1.589 -4.175 404 HB3 CYS 56 1HB CYS 56 -13.430 -2.034 -2.487 405 H PHE 57 H PHE 57 -15.537 -3.191 -1.991 406 HA PHE 57 HA PHE 57 -17.891 -4.067 -3.489 407 HB2 PHE 57 2HB PHE 57 -17.334 -2.792 -0.804 408 HB3 PHE 57 1HB PHE 57 -18.982 -3.092 -1.358 409 HD1 PHE 57 1HD PHE 57 -15.784 -4.664 -0.385 410 HD2 PHE 57 2HD PHE 57 -19.859 -5.346 -1.561 411 HE1 PHE 57 1HE PHE 57 -15.587 -7.036 0.309 412 HE2 PHE 57 2HE PHE 57 -19.662 -7.718 -0.865 413 HZ PHE 57 HZ PHE 57 -17.526 -8.564 0.069 414 H ARG 58 H ARG 58 -19.848 -2.318 -3.187 415 HA ARG 58 HA ARG 58 -19.113 -0.088 -4.916 416 HB2 ARG 58 2HB ARG 58 -21.268 -1.671 -4.696 417 HB3 ARG 58 1HB ARG 58 -21.799 -0.356 -3.648 418 HG2 ARG 58 2HG ARG 58 -22.212 0.977 -5.416 419 HG3 ARG 58 1HG ARG 58 -20.600 0.688 -6.075 420 HD2 ARG 58 2HD ARG 58 -21.592 -0.521 -7.718 421 HD3 ARG 58 1HD ARG 58 -22.025 -1.719 -6.483 422 HE ARG 58 HE ARG 58 -23.796 0.626 -6.592 423 HH11 ARG 58 1HH1 ARG 58 -23.384 -1.568 -8.971 424 HH12 ARG 58 2HH1 ARG 58 -24.903 -2.381 -8.790 425 HH21 ARG 58 1HH2 ARG 58 -25.659 -0.861 -5.767 426 HH22 ARG 58 2HH2 ARG 58 -26.190 -1.981 -6.976 427 H HIS 59 H HIS 59 -20.233 -0.499 -1.565 428 HA HIS 59 HA HIS 59 -20.305 2.375 -1.047 429 HB2 HIS 59 2HB HIS 59 -20.727 1.546 1.274 430 HB3 HIS 59 1HB HIS 59 -21.777 0.776 0.085 431 HD1 HIS 59 1HD HIS 59 -21.392 -1.727 -0.414 432 HD2 HIS 59 2HD HIS 59 -18.712 -0.169 2.373 433 HE1 HIS 59 1HE HIS 59 -20.195 -3.708 0.612 434 H GLU 60 H GLU 60 -17.725 0.462 -1.666 435 HA GLU 60 HA GLU 60 -16.011 1.842 0.378 436 HB2 GLU 60 2HB GLU 60 -16.189 -0.956 -0.649 437 HB3 GLU 60 1HB GLU 60 -14.588 -0.339 -0.246 438 HG2 GLU 60 2HG GLU 60 -15.790 0.482 1.954 439 HG3 GLU 60 1HG GLU 60 -16.951 -0.780 1.542 440 H TYR 61 H TYR 61 -13.548 1.374 -0.621 441 HA TYR 61 HA TYR 61 -13.490 1.976 -3.521 442 HB2 TYR 61 2HB TYR 61 -12.442 4.121 -3.221 443 HB3 TYR 61 1HB TYR 61 -13.863 4.115 -2.183 444 HD1 TYR 61 2HD TYR 61 -13.354 2.993 0.244 445 HD2 TYR 61 1HD TYR 61 -10.477 4.957 -2.270 446 HE1 TYR 61 2HE TYR 61 -11.933 3.431 2.222 447 HE2 TYR 61 1HE TYR 61 -9.058 5.400 -0.286 448 HH TYR 61 HH TYR 61 -9.098 3.894 2.377 449 H VAL 62 H VAL 62 -10.842 2.871 -3.587 450 HA VAL 62 HA VAL 62 -9.326 0.560 -2.408 451 HB VAL 62 HB VAL 62 -9.211 1.940 -5.107 452 HG11 VAL 62 1HG1 VAL 62 -6.910 1.622 -4.436 453 HG12 VAL 62 2HG1 VAL 62 -7.312 0.344 -5.582 454 HG13 VAL 62 3HG1 VAL 62 -7.253 -0.008 -3.855 455 HG21 VAL 62 3HG2 VAL 62 -10.830 -0.017 -4.497 456 HG22 VAL 62 1HG2 VAL 62 -9.379 -1.017 -4.560 457 HG23 VAL 62 2HG2 VAL 62 -9.898 -0.126 -5.991 458 H ASP 63 H ASP 63 -8.388 1.713 -0.641 459 HA ASP 63 HA ASP 63 -7.543 4.389 -0.598 460 HB2 ASP 63 2HB ASP 63 -6.026 3.581 1.222 461 HB3 ASP 63 1HB ASP 63 -7.662 2.943 1.368 462 H THR 64 H THR 64 -6.620 4.882 -2.658 463 HA THR 64 HA THR 64 -4.635 3.670 -4.127 464 HB THR 64 HB THR 64 -3.841 6.253 -4.258 465 HG1 THR 64 1HG THR 64 -5.287 6.555 -2.355 466 HG21 THR 64 3HG2 THR 64 -5.182 4.687 -5.877 467 HG22 THR 64 1HG2 THR 64 -5.285 6.436 -6.085 468 HG23 THR 64 2HG2 THR 64 -6.584 5.566 -5.268 469 H TYR 65 H TYR 65 -4.230 5.115 -0.955 470 HA TYR 65 HA TYR 65 -1.379 5.430 -0.979 471 HB2 TYR 65 2HB TYR 65 -3.194 6.309 0.623 472 HB3 TYR 65 1HB TYR 65 -3.105 4.729 1.400 473 HD1 TYR 65 1HD TYR 65 -1.288 7.856 0.685 474 HD2 TYR 65 2HD TYR 65 -1.118 4.027 2.624 475 HE1 TYR 65 1HE TYR 65 0.730 8.576 1.932 476 HE2 TYR 65 2HE TYR 65 0.900 4.748 3.872 477 HH TYR 65 HH TYR 65 1.932 6.900 4.607 478 H TYR 66 H TYR 66 -3.394 2.797 0.398 479 HA TYR 66 HA TYR 66 -1.025 1.124 0.855 480 HB2 TYR 66 2HB TYR 66 -3.967 1.053 1.365 481 HB3 TYR 66 1HB TYR 66 -3.090 -0.477 1.406 482 HD1 TYR 66 1HD TYR 66 -1.245 -0.833 3.012 483 HD2 TYR 66 2HD TYR 66 -3.583 2.768 3.031 484 HE1 TYR 66 1HE TYR 66 -0.352 -0.267 5.255 485 HE2 TYR 66 2HE TYR 66 -2.694 3.334 5.275 486 HH TYR 66 HH TYR 66 -1.716 1.998 7.255 487 H SER 67 H SER 67 -3.117 1.676 -1.799 488 HA SER 67 HA SER 67 -3.490 -0.790 -3.049 489 HB2 SER 67 2HB SER 67 -4.285 1.146 -4.136 490 HB3 SER 67 1HB SER 67 -2.736 1.972 -3.998 491 HG SER 67 HG SER 67 -2.270 1.179 -5.876 492 H ALA 68 H ALA 68 -0.493 0.896 -2.406 493 HA ALA 68 HA ALA 68 1.199 -0.444 -4.305 494 HB1 ALA 68 1HB ALA 68 1.435 1.195 -1.832 495 HB2 ALA 68 2HB ALA 68 2.194 1.425 -3.406 496 HB3 ALA 68 3HB ALA 68 2.850 0.240 -2.276 497 H VAL 69 H VAL 69 1.318 -0.920 -0.745 498 HA VAL 69 HA VAL 69 2.688 -3.314 -0.636 499 HB VAL 69 HB VAL 69 1.754 -1.919 1.259 500 HG11 VAL 69 1HG1 VAL 69 -0.513 -1.625 0.768 501 HG12 VAL 69 2HG1 VAL 69 -0.532 -2.817 2.068 502 HG13 VAL 69 3HG1 VAL 69 -0.747 -3.331 0.395 503 HG21 VAL 69 3HG2 VAL 69 1.853 -4.853 1.123 504 HG22 VAL 69 1HG2 VAL 69 0.945 -4.214 2.491 505 HG23 VAL 69 2HG2 VAL 69 2.632 -3.756 2.259 506 H CYS 70 H CYS 70 -0.608 -2.813 -1.712 507 HA CYS 70 HA CYS 70 -1.527 -5.527 -1.640 508 HB2 CYS 70 2HB CYS 70 -2.597 -3.117 -2.139 509 HB3 CYS 70 1HB CYS 70 -2.365 -3.653 -3.803 510 H GLY 71 H GLY 71 -0.677 -3.710 -4.606 511 HA2 GLY 71 2HA GLY 71 1.010 -4.488 -6.201 512 HA3 GLY 71 1HA GLY 71 0.787 -6.122 -5.575 513 H ARG 72 H ARG 72 -0.322 -7.410 -6.953 514 HA ARG 72 HA ARG 72 -1.704 -6.473 -9.273 515 HB2 ARG 72 2HB ARG 72 -0.939 -8.917 -8.009 516 HB3 ARG 72 1HB ARG 72 -2.651 -9.043 -8.411 517 HG2 ARG 72 2HG ARG 72 -1.120 -7.804 -10.563 518 HG3 ARG 72 1HG ARG 72 -0.524 -9.418 -10.175 519 HD2 ARG 72 2HD ARG 72 -3.451 -9.312 -10.220 520 HD3 ARG 72 1HD ARG 72 -2.727 -8.876 -11.782 521 HE ARG 72 HE ARG 72 -1.489 -11.209 -10.507 522 HH11 ARG 72 1HH2 ARG 72 -2.708 -9.999 -13.345 523 HH12 ARG 72 2HH2 ARG 72 -3.432 -11.473 -13.891 524 HH21 ARG 72 1HH1 ARG 72 -2.958 -13.132 -10.884 525 HH22 ARG 72 2HH1 ARG 72 -3.576 -13.247 -12.499 526 H TYR 73 H TYR 73 -2.756 -7.024 -5.967 527 HA TYR 73 HA TYR 73 -5.616 -6.674 -6.736 528 HB2 TYR 73 2HB TYR 73 -4.190 -7.404 -4.158 529 HB3 TYR 73 1HB TYR 73 -5.942 -7.302 -4.325 530 HD1 TYR 73 2HD TYR 73 -2.996 -8.881 -6.035 531 HD2 TYR 73 1HD TYR 73 -7.106 -9.245 -4.846 532 HE1 TYR 73 2HE TYR 73 -3.044 -11.197 -6.914 533 HE2 TYR 73 1HE TYR 73 -7.156 -11.564 -5.724 534 HH TYR 73 HH TYR 73 -4.368 -13.287 -6.516 535 H PHE 74 H PHE 74 -6.824 -5.263 -4.975 536 HA PHE 74 HA PHE 74 -5.230 -2.757 -4.527 537 HB2 PHE 74 2HB PHE 74 -8.210 -3.014 -5.009 538 HB3 PHE 74 1HB PHE 74 -7.243 -1.541 -5.047 539 HD1 PHE 74 2HD PHE 74 -7.756 -4.815 -6.732 540 HD2 PHE 74 1HD PHE 74 -6.150 -0.846 -7.023 541 HE1 PHE 74 2HE PHE 74 -7.342 -5.164 -9.149 542 HE2 PHE 74 1HE PHE 74 -5.736 -1.189 -9.441 543 HZ PHE 74 HZ PHE 74 -6.329 -3.351 -10.509 544 H CYS 75 H CYS 75 -5.327 -1.920 -2.446 545 HA CYS 75 HA CYS 75 -6.570 -3.553 -0.359 546 HB2 CYS 75 2HB CYS 75 -4.386 -2.451 -0.078 547 HB3 CYS 75 1HB CYS 75 -5.132 -0.879 -0.354 548 H CYS 76 H CYS 76 -8.861 -3.375 -0.506 549 HA CYS 76 HA CYS 76 -10.112 -0.793 -1.033 550 HB2 CYS 76 2HB CYS 76 -11.410 -3.302 0.037 551 HB3 CYS 76 1HB CYS 76 -12.138 -2.051 -0.962 552 H ARG 77 H ARG 77 -11.626 0.214 0.498 553 HA ARG 77 HA ARG 77 -11.379 -0.454 3.354 554 HB2 ARG 77 2HB ARG 77 -9.411 1.068 2.213 555 HB3 ARG 77 1HB ARG 77 -10.536 2.316 2.744 556 HG2 ARG 77 2HG ARG 77 -10.270 0.315 4.797 557 HG3 ARG 77 1HG ARG 77 -8.677 0.909 4.334 558 HD2 ARG 77 2HD ARG 77 -10.554 3.114 4.501 559 HD3 ARG 77 1HD ARG 77 -10.502 2.214 6.031 560 HE ARG 77 HE ARG 77 -7.843 2.498 5.034 561 HH11 ARG 77 1HH1 ARG 77 -10.426 4.549 5.984 562 HH12 ARG 77 2HH1 ARG 77 -9.420 5.634 6.884 563 HH21 ARG 77 1HH2 ARG 77 -6.524 3.798 6.368 564 HH22 ARG 77 2HH2 ARG 77 -7.211 5.210 7.100 565 H SER 78 H SER 78 -12.577 1.332 4.658 566 HA SER 78 HA SER 78 -15.018 2.100 3.116 567 HB2 SER 78 2HB SER 78 -16.151 1.776 5.131 568 HB3 SER 78 1HB SER 78 -14.824 0.631 5.315 569 HG SER 78 HG SER 78 -15.347 2.992 6.635 570 H ARG 79 H ARG 79 -14.910 4.203 2.408 571 HA ARG 79 HA ARG 79 -13.293 6.211 3.820 572 HB2 ARG 79 2HB ARG 79 -13.779 5.805 1.260 573 HB3 ARG 79 1HB ARG 79 -15.224 6.765 1.584 574 HG2 ARG 79 2HG ARG 79 -14.036 8.681 1.711 575 HG3 ARG 79 1HG ARG 79 -12.832 7.946 2.770 576 HD2 ARG 79 2HD ARG 79 -11.565 7.110 0.935 577 HD3 ARG 79 1HD ARG 79 -12.896 7.385 -0.207 578 HE ARG 79 HE ARG 79 -11.023 9.406 0.708 579 HH11 ARG 79 1HH2 ARG 79 -12.663 9.269 -1.895 580 HH12 ARG 79 2HH2 ARG 79 -13.674 10.662 -1.708 581 HH21 ARG 79 1HH1 ARG 79 -13.024 11.008 1.680 582 HH22 ARG 79 2HH1 ARG 79 -13.877 11.648 0.316 Start of MODEL 9 1 H1 ASN 1 1HT ASN 1 14.299 13.138 -6.197 2 H2 ASN 1 2HT ASN 1 14.076 12.987 -7.874 3 H3 ASN 1 3HT ASN 1 15.582 13.472 -7.255 4 HA ASN 1 HA ASN 1 15.486 11.090 -7.996 5 HB2 ASN 1 2HB ASN 1 16.941 12.342 -6.190 6 HB3 ASN 1 1HB ASN 1 16.018 11.364 -5.048 7 HD21 ASN 1 1HD2 ASN 1 17.982 11.008 -8.051 8 HD22 ASN 1 2HD2 ASN 1 18.576 9.467 -7.655 9 HA PRO 2 HA PRO 2 11.558 9.551 -6.324 10 HB2 PRO 2 2HB PRO 2 11.181 7.705 -8.308 11 HB3 PRO 2 1HB PRO 2 10.746 9.417 -8.485 12 HG2 PRO 2 2HG PRO 2 13.119 7.952 -9.513 13 HG3 PRO 2 1HG PRO 2 12.177 9.248 -10.266 14 HD2 PRO 2 2HD PRO 2 14.604 9.626 -9.053 15 HD3 PRO 2 1HD PRO 2 13.370 10.892 -9.226 16 H LEU 3 H LEU 3 11.412 7.862 -4.866 17 HA LEU 3 HA LEU 3 13.115 5.450 -5.243 18 HB2 LEU 3 2HB LEU 3 13.609 7.664 -3.449 19 HB3 LEU 3 1HB LEU 3 13.325 6.191 -2.520 20 HG LEU 3 HG LEU 3 15.182 6.203 -4.897 21 HD11 LEU 3 1HD1 LEU 3 15.699 7.084 -2.062 22 HD12 LEU 3 2HD1 LEU 3 16.216 7.847 -3.566 23 HD13 LEU 3 3HD1 LEU 3 16.984 6.354 -3.023 24 HD21 LEU 3 3HD2 LEU 3 16.187 4.335 -3.426 25 HD22 LEU 3 1HD2 LEU 3 14.631 4.004 -4.187 26 HD23 LEU 3 2HD2 LEU 3 14.702 4.451 -2.482 27 H ILE 4 H ILE 4 12.618 4.133 -2.922 28 HA ILE 4 HA ILE 4 10.095 3.000 -3.117 29 HB ILE 4 HB ILE 4 12.077 3.428 -0.905 30 HG12 ILE 4 2HG1 ILE 4 12.284 1.693 -2.746 31 HG13 ILE 4 1HG1 ILE 4 12.346 1.044 -1.107 32 HG21 ILE 4 1HG2 ILE 4 9.226 2.796 -0.515 33 HG22 ILE 4 2HG2 ILE 4 10.437 3.295 0.664 34 HG23 ILE 4 3HG2 ILE 4 10.317 1.602 0.187 35 HD11 ILE 4 3HD1 ILE 4 10.828 -0.197 -2.756 36 HD12 ILE 4 1HD1 ILE 4 9.766 1.209 -2.673 37 HD13 ILE 4 2HD1 ILE 4 10.096 0.267 -1.219 38 HA PRO 5 HA PRO 5 7.293 6.127 -1.771 39 HB2 PRO 5 2HB PRO 5 5.171 4.517 -1.146 40 HB3 PRO 5 1HB PRO 5 5.641 4.879 -2.818 41 HG2 PRO 5 2HG PRO 5 6.179 2.455 -1.186 42 HG3 PRO 5 1HG PRO 5 5.773 2.592 -2.903 43 HD2 PRO 5 2HD PRO 5 8.306 2.163 -1.986 44 HD3 PRO 5 1HD PRO 5 7.942 2.983 -3.519 45 H ALA 6 H ALA 6 5.385 5.712 0.270 46 HA ALA 6 HA ALA 6 7.104 5.264 2.656 47 HB1 ALA 6 1HB ALA 6 6.048 7.133 3.649 48 HB2 ALA 6 2HB ALA 6 4.679 7.048 2.541 49 HB3 ALA 6 3HB ALA 6 6.244 7.622 1.966 50 H ILE 7 H ILE 7 4.126 4.538 1.040 51 HA ILE 7 HA ILE 7 2.494 3.617 3.145 52 HB ILE 7 HB ILE 7 1.662 3.812 0.906 53 HG12 ILE 7 2HG1 ILE 7 1.752 1.078 2.114 54 HG13 ILE 7 1HG1 ILE 7 0.373 2.127 1.813 55 HG21 ILE 7 1HG2 ILE 7 3.222 1.545 -0.212 56 HG22 ILE 7 2HG2 ILE 7 4.137 3.019 0.080 57 HG23 ILE 7 3HG2 ILE 7 2.727 3.054 -0.976 58 HD11 ILE 7 3HD1 ILE 7 0.619 1.661 -0.634 59 HD12 ILE 7 1HD1 ILE 7 0.255 0.220 0.313 60 HD13 ILE 7 2HD1 ILE 7 1.900 0.514 -0.246 61 H TYR 8 H TYR 8 4.823 1.710 1.210 62 HA TYR 8 HA TYR 8 4.571 -0.784 2.390 63 HB2 TYR 8 2HB TYR 8 7.070 0.729 1.561 64 HB3 TYR 8 1HB TYR 8 6.993 -1.017 1.795 65 HD1 TYR 8 1HD TYR 8 4.100 -1.323 0.724 66 HD2 TYR 8 2HD TYR 8 7.583 0.672 -0.809 67 HE1 TYR 8 1HE TYR 8 3.235 -1.588 -1.580 68 HE2 TYR 8 2HE TYR 8 6.714 0.403 -3.116 69 HH TYR 8 HH TYR 8 4.560 -1.674 -4.040 70 H ILE 9 H ILE 9 5.911 2.126 3.802 71 HA ILE 9 HA ILE 9 7.388 0.951 5.948 72 HB ILE 9 HB ILE 9 5.785 3.529 5.830 73 HG12 ILE 9 2HG1 ILE 9 8.646 2.890 5.040 74 HG13 ILE 9 1HG1 ILE 9 7.342 3.376 3.954 75 HG21 ILE 9 1HG2 ILE 9 7.026 4.284 7.663 76 HG22 ILE 9 2HG2 ILE 9 8.304 3.095 7.412 77 HG23 ILE 9 3HG2 ILE 9 6.752 2.591 8.081 78 HD11 ILE 9 3HD1 ILE 9 9.139 5.067 5.342 79 HD12 ILE 9 1HD1 ILE 9 7.565 5.281 6.108 80 HD13 ILE 9 2HD1 ILE 9 7.747 5.549 4.375 81 H GLY 10 H GLY 10 6.638 -0.217 7.673 82 HA2 GLY 10 2HA GLY 10 5.118 -1.179 9.187 83 HA3 GLY 10 1HA GLY 10 4.271 0.371 9.140 84 H ALA 11 H ALA 11 4.885 -1.612 6.313 85 HA ALA 11 HA ALA 11 1.912 -1.981 6.025 86 HB1 ALA 11 1HB ALA 11 2.204 -1.490 3.790 87 HB2 ALA 11 2HB ALA 11 3.807 -2.224 3.734 88 HB3 ALA 11 3HB ALA 11 3.595 -0.621 4.436 89 H THR 12 H THR 12 1.975 -3.876 3.953 90 HA THR 12 HA THR 12 3.626 -6.173 4.835 91 HB THR 12 HB THR 12 0.653 -5.883 5.293 92 HG1 THR 12 1HG THR 12 1.291 -5.931 7.278 93 HG21 THR 12 3HG2 THR 12 2.111 -8.259 4.418 94 HG22 THR 12 1HG2 THR 12 0.372 -7.997 4.554 95 HG23 THR 12 2HG2 THR 12 1.303 -8.500 5.966 96 H VAL 13 H VAL 13 4.348 -6.342 2.646 97 HA VAL 13 HA VAL 13 2.284 -6.585 0.513 98 HB VAL 13 HB VAL 13 4.162 -6.298 -0.964 99 HG11 VAL 13 1HG1 VAL 13 5.397 -4.346 0.134 100 HG12 VAL 13 2HG1 VAL 13 4.441 -4.677 1.577 101 HG13 VAL 13 3HG1 VAL 13 3.641 -4.212 0.076 102 HG21 VAL 13 3HG2 VAL 13 6.489 -6.460 -0.175 103 HG22 VAL 13 1HG2 VAL 13 5.630 -7.971 0.129 104 HG23 VAL 13 2HG2 VAL 13 5.920 -6.840 1.450 105 H GLY 14 H GLY 14 2.860 -8.412 -1.152 106 HA2 GLY 14 2HA GLY 14 2.902 -10.944 0.348 107 HA3 GLY 14 1HA GLY 14 2.570 -10.766 -1.376 108 HA PRO 15 HA PRO 15 6.858 -12.381 -0.947 109 HB2 PRO 15 2HB PRO 15 6.566 -14.374 -2.795 110 HB3 PRO 15 1HB PRO 15 6.145 -14.577 -1.084 111 HG2 PRO 15 2HG PRO 15 4.378 -14.085 -3.422 112 HG3 PRO 15 1HG PRO 15 4.106 -15.090 -1.992 113 HD2 PRO 15 2HD PRO 15 3.022 -12.597 -2.348 114 HD3 PRO 15 1HD PRO 15 3.307 -13.343 -0.761 115 H SER 16 H SER 16 4.995 -12.297 -4.017 116 HA SER 16 HA SER 16 7.188 -11.705 -5.735 117 HB2 SER 16 2HB SER 16 4.445 -12.140 -5.895 118 HB3 SER 16 1HB SER 16 4.628 -10.484 -6.465 119 HG SER 16 HG SER 16 6.385 -11.387 -7.803 120 H VAL 17 H VAL 17 4.817 -9.481 -4.218 121 HA VAL 17 HA VAL 17 5.909 -7.049 -5.205 122 HB VAL 17 HB VAL 17 4.548 -7.658 -2.559 123 HG11 VAL 17 1HG1 VAL 17 4.687 -5.108 -4.199 124 HG12 VAL 17 2HG1 VAL 17 5.550 -5.398 -2.689 125 HG13 VAL 17 3HG1 VAL 17 3.787 -5.319 -2.697 126 HG21 VAL 17 3HG2 VAL 17 3.152 -8.525 -4.285 127 HG22 VAL 17 1HG2 VAL 17 3.503 -7.166 -5.355 128 HG23 VAL 17 2HG2 VAL 17 2.497 -6.927 -3.926 129 H TRP 18 H TRP 18 6.568 -8.768 -2.134 130 HA TRP 18 HA TRP 18 8.422 -7.001 -0.980 131 HB2 TRP 18 2HB TRP 18 7.458 -9.122 -0.038 132 HB3 TRP 18 1HB TRP 18 8.553 -10.031 -1.075 133 HD1 TRP 18 HD TRP 18 11.259 -9.328 -0.739 134 HE1 TRP 18 1HE TRP 18 12.505 -8.921 1.482 135 HE3 TRP 18 3HE TRP 18 7.292 -8.408 2.339 136 HZ2 TRP 18 2HZ TRP 18 11.896 -8.289 4.206 137 HZ3 TRP 18 3HZ TRP 18 7.650 -7.908 4.738 138 HH2 TRP 18 HH TRP 18 9.945 -7.847 5.676 139 H ALA 19 H ALA 19 9.232 -9.826 -3.027 140 HA ALA 19 HA ALA 19 11.965 -9.457 -3.348 141 HB1 ALA 19 1HB ALA 19 9.718 -10.583 -4.909 142 HB2 ALA 19 2HB ALA 19 11.250 -11.327 -4.452 143 HB3 ALA 19 3HB ALA 19 11.176 -10.246 -5.843 144 H TYR 20 H TYR 20 9.359 -7.774 -5.088 145 HA TYR 20 HA TYR 20 10.970 -6.342 -6.956 146 HB2 TYR 20 2HB TYR 20 8.456 -6.613 -6.873 147 HB3 TYR 20 1HB TYR 20 8.432 -5.430 -5.567 148 HD1 TYR 20 1HD TYR 20 9.280 -3.101 -5.978 149 HD2 TYR 20 2HD TYR 20 8.729 -5.939 -9.155 150 HE1 TYR 20 1HE TYR 20 9.348 -1.258 -7.636 151 HE2 TYR 20 2HE TYR 20 8.795 -4.096 -10.812 152 HH TYR 20 HH TYR 20 8.221 -1.193 -10.357 153 H LEU 21 H LEU 21 9.594 -5.157 -3.867 154 HA LEU 21 HA LEU 21 10.895 -2.681 -3.714 155 HB2 LEU 21 2HB LEU 21 9.153 -3.982 -2.216 156 HB3 LEU 21 1HB LEU 21 10.587 -4.455 -1.308 157 HG LEU 21 HG LEU 21 9.698 -1.620 -1.913 158 HD11 LEU 21 1HD1 LEU 21 8.379 -2.280 -0.117 159 HD12 LEU 21 2HD1 LEU 21 9.810 -1.697 0.732 160 HD13 LEU 21 3HD1 LEU 21 9.579 -3.427 0.477 161 HD21 LEU 21 3HD2 LEU 21 12.036 -1.468 -1.909 162 HD22 LEU 21 1HD2 LEU 21 12.217 -2.788 -0.754 163 HD23 LEU 21 2HD2 LEU 21 11.653 -1.209 -0.207 164 H VAL 22 H VAL 22 12.159 -5.906 -2.952 165 HA VAL 22 HA VAL 22 14.575 -5.091 -1.650 166 HB VAL 22 HB VAL 22 13.670 -7.505 -3.224 167 HG11 VAL 22 1HG1 VAL 22 15.936 -8.215 -1.715 168 HG12 VAL 22 2HG1 VAL 22 16.387 -6.733 -2.559 169 HG13 VAL 22 3HG1 VAL 22 15.822 -8.131 -3.473 170 HG21 VAL 22 3HG2 VAL 22 14.505 -7.785 -0.427 171 HG22 VAL 22 1HG2 VAL 22 12.999 -8.280 -1.202 172 HG23 VAL 22 2HG2 VAL 22 13.195 -6.622 -0.635 173 H ALA 23 H ALA 23 13.909 -5.903 -5.059 174 HA ALA 23 HA ALA 23 16.486 -5.510 -6.130 175 HB1 ALA 23 1HB ALA 23 14.986 -6.352 -7.664 176 HB2 ALA 23 2HB ALA 23 14.870 -4.653 -8.121 177 HB3 ALA 23 3HB ALA 23 13.658 -5.365 -7.056 178 H LEU 24 H LEU 24 13.916 -3.127 -5.470 179 HA LEU 24 HA LEU 24 15.211 -0.852 -6.606 180 HB2 LEU 24 2HB LEU 24 12.795 -1.390 -5.612 181 HB3 LEU 24 1HB LEU 24 13.492 -0.662 -4.165 182 HG LEU 24 HG LEU 24 14.055 1.362 -5.403 183 HD11 LEU 24 1HD1 LEU 24 12.954 1.392 -7.821 184 HD12 LEU 24 2HD1 LEU 24 13.233 -0.347 -7.721 185 HD13 LEU 24 3HD1 LEU 24 14.588 0.773 -7.581 186 HD21 LEU 24 3HD2 LEU 24 11.394 0.372 -4.988 187 HD22 LEU 24 1HD2 LEU 24 11.403 1.356 -6.452 188 HD23 LEU 24 2HD2 LEU 24 11.961 2.041 -4.926 189 H VAL 25 H VAL 25 15.323 -2.276 -3.347 190 HA VAL 25 HA VAL 25 17.730 -0.584 -2.786 191 HB VAL 25 HB VAL 25 16.086 0.495 -1.520 192 HG11 VAL 25 1HG1 VAL 25 14.076 -0.571 -1.748 193 HG12 VAL 25 2HG1 VAL 25 14.470 -1.175 -0.138 194 HG13 VAL 25 3HG1 VAL 25 14.787 -2.173 -1.557 195 HG21 VAL 25 3HG2 VAL 25 17.900 -1.091 -0.126 196 HG22 VAL 25 1HG2 VAL 25 16.360 -1.398 0.676 197 HG23 VAL 25 2HG2 VAL 25 16.968 0.251 0.531 198 H GLY 26 H GLY 26 16.206 -2.852 -0.548 199 HA2 GLY 26 2HA GLY 26 17.562 -5.227 -1.170 200 HA3 GLY 26 1HA GLY 26 18.658 -4.294 -0.147 201 H ALA 27 H ALA 27 17.669 -6.709 0.796 202 HA ALA 27 HA ALA 27 15.256 -6.560 2.302 203 HB1 ALA 27 1HB ALA 27 15.932 -8.717 2.397 204 HB2 ALA 27 2HB ALA 27 17.072 -8.229 3.651 205 HB3 ALA 27 3HB ALA 27 17.582 -8.266 1.964 206 H ALA 28 H ALA 28 18.390 -5.154 2.863 207 HA ALA 28 HA ALA 28 18.215 -4.901 5.727 208 HB1 ALA 28 1HB ALA 28 19.872 -2.914 4.972 209 HB2 ALA 28 2HB ALA 28 19.825 -3.823 3.462 210 HB3 ALA 28 3HB ALA 28 20.368 -4.606 4.946 211 H ALA 29 H ALA 29 17.881 -2.385 3.195 212 HA ALA 29 HA ALA 29 16.697 -0.433 4.928 213 HB1 ALA 29 1HB ALA 29 16.899 0.790 3.023 214 HB2 ALA 29 2HB ALA 29 15.862 -0.320 2.126 215 HB3 ALA 29 3HB ALA 29 17.585 -0.657 2.285 216 H VAL 30 H VAL 30 15.381 -3.129 3.099 217 HA VAL 30 HA VAL 30 12.606 -2.335 3.221 218 HB VAL 30 HB VAL 30 14.118 -4.924 2.814 219 HG11 VAL 30 1HG1 VAL 30 11.154 -4.419 2.994 220 HG12 VAL 30 2HG1 VAL 30 12.093 -5.741 3.686 221 HG13 VAL 30 3HG1 VAL 30 11.780 -5.695 1.950 222 HG21 VAL 30 3HG2 VAL 30 14.100 -4.310 0.640 223 HG22 VAL 30 1HG2 VAL 30 13.522 -2.729 1.167 224 HG23 VAL 30 2HG2 VAL 30 12.369 -3.976 0.691 225 H THR 31 H THR 31 14.784 -4.081 5.388 226 HA THR 31 HA THR 31 12.682 -5.065 7.156 227 HB THR 31 HB THR 31 15.688 -4.728 7.396 228 HG1 THR 31 1HG THR 31 13.998 -6.941 6.865 229 HG21 THR 31 3HG2 THR 31 15.626 -6.009 9.389 230 HG22 THR 31 1HG2 THR 31 13.942 -6.468 9.137 231 HG23 THR 31 2HG2 THR 31 14.347 -4.812 9.591 232 H ALA 32 H ALA 32 14.839 -2.244 7.083 233 HA ALA 32 HA ALA 32 14.146 -1.270 9.720 234 HB1 ALA 32 1HB ALA 32 15.239 0.114 7.247 235 HB2 ALA 32 2HB ALA 32 16.206 -0.695 8.481 236 HB3 ALA 32 3HB ALA 32 15.297 0.761 8.887 237 H ALA 33 H ALA 33 12.728 -0.949 6.522 238 HA ALA 33 HA ALA 33 11.025 1.325 7.202 239 HB1 ALA 33 1HB ALA 33 11.342 -0.637 4.944 240 HB2 ALA 33 2HB ALA 33 11.560 1.113 4.928 241 HB3 ALA 33 3HB ALA 33 9.935 0.426 4.985 242 H ASN 34 H ASN 34 10.975 -1.749 8.355 243 HA ASN 34 HA ASN 34 9.297 -3.070 9.361 244 HB2 ASN 34 2HB ASN 34 8.861 -0.890 10.425 245 HB3 ASN 34 1HB ASN 34 7.825 -0.431 9.076 246 HD21 ASN 34 1HD2 ASN 34 6.992 -0.743 11.909 247 HD22 ASN 34 2HD2 ASN 34 5.802 -1.954 11.922 248 H ILE 35 H ILE 35 9.311 -4.173 7.153 249 HA ILE 35 HA ILE 35 6.649 -3.842 5.802 250 HB ILE 35 HB ILE 35 9.420 -4.503 4.767 251 HG12 ILE 35 2HG1 ILE 35 7.466 -2.466 3.704 252 HG13 ILE 35 1HG1 ILE 35 8.492 -2.091 5.088 253 HG21 ILE 35 1HG2 ILE 35 6.875 -5.472 3.819 254 HG22 ILE 35 2HG2 ILE 35 8.485 -5.777 3.164 255 HG23 ILE 35 3HG2 ILE 35 7.567 -4.369 2.629 256 HD11 ILE 35 3HD1 ILE 35 9.547 -1.379 2.964 257 HD12 ILE 35 1HD1 ILE 35 9.483 -3.043 2.384 258 HD13 ILE 35 2HD1 ILE 35 10.496 -2.629 3.767 259 H ARG 36 H ARG 36 5.381 -5.625 6.170 260 HA ARG 36 HA ARG 36 6.696 -8.178 6.975 261 HB2 ARG 36 2HB ARG 36 3.757 -7.459 7.024 262 HB3 ARG 36 1HB ARG 36 4.594 -8.667 7.999 263 HG2 ARG 36 2HG ARG 36 5.943 -6.254 8.507 264 HG3 ARG 36 1HG ARG 36 4.228 -5.837 8.521 265 HD2 ARG 36 2HD ARG 36 3.835 -7.778 10.085 266 HD3 ARG 36 1HD ARG 36 5.596 -7.981 10.182 267 HE ARG 36 HE ARG 36 5.653 -6.069 11.560 268 HH11 ARG 36 1HH1 ARG 36 4.689 -4.136 9.541 269 HH12 ARG 36 2HH1 ARG 36 3.213 -3.557 10.236 270 HH21 ARG 36 1HH2 ARG 36 2.939 -6.173 12.494 271 HH22 ARG 36 2HH2 ARG 36 2.221 -4.710 11.907 272 H ARG 37 H ARG 37 6.169 -10.144 5.891 273 HA ARG 37 HA ARG 37 5.367 -9.809 3.062 274 HB2 ARG 37 2HB ARG 37 6.927 -11.640 4.740 275 HB3 ARG 37 1HB ARG 37 5.917 -12.484 3.566 276 HG2 ARG 37 2HG ARG 37 6.900 -10.521 1.986 277 HG3 ARG 37 1HG ARG 37 8.240 -10.688 3.121 278 HD2 ARG 37 2HD ARG 37 8.092 -13.221 2.693 279 HD3 ARG 37 1HD ARG 37 7.065 -12.805 1.305 280 HE ARG 37 HE ARG 37 9.004 -11.253 0.620 281 HH11 ARG 37 1HH2 ARG 37 9.310 -14.426 0.587 282 HH12 ARG 37 2HH2 ARG 37 10.991 -14.530 0.992 283 HH21 ARG 37 1HH1 ARG 37 11.226 -11.220 1.997 284 HH22 ARG 37 2HH1 ARG 37 12.075 -12.715 1.791 285 H ALA 38 H ALA 38 3.718 -11.263 2.131 286 HA ALA 38 HA ALA 38 1.725 -12.276 4.127 287 HB1 ALA 38 1HB ALA 38 0.215 -11.349 2.027 288 HB2 ALA 38 2HB ALA 38 1.542 -10.188 2.047 289 HB3 ALA 38 3HB ALA 38 0.555 -10.424 3.489 290 H SER 39 H SER 39 0.498 -14.100 3.369 291 HA SER 39 HA SER 39 1.711 -16.088 1.888 292 HB2 SER 39 2HB SER 39 -0.684 -15.711 3.124 293 HB3 SER 39 1HB SER 39 -1.207 -15.763 1.443 294 HG SER 39 HG SER 39 0.426 -17.683 2.761 295 H SER 40 H SER 40 0.098 -13.233 0.644 296 HA SER 40 HA SER 40 1.257 -13.564 -1.992 297 HB2 SER 40 2HB SER 40 -1.583 -14.389 -1.423 298 HB3 SER 40 1HB SER 40 -1.151 -13.767 -3.013 299 HG SER 40 HG SER 40 -0.818 -16.202 -2.107 300 H ASP 41 H ASP 41 -0.217 -11.959 -3.541 301 HA ASP 41 HA ASP 41 0.144 -9.331 -2.543 302 HB2 ASP 41 2HB ASP 41 -1.653 -10.479 -4.702 303 HB3 ASP 41 1HB ASP 41 -1.302 -8.760 -4.525 304 H ASN 42 H ASN 42 -2.397 -11.599 -1.945 305 HA ASN 42 HA ASN 42 -4.379 -9.543 -1.194 306 HB2 ASN 42 2HB ASN 42 -5.193 -11.509 -2.280 307 HB3 ASN 42 1HB ASN 42 -4.254 -12.566 -1.226 308 HD21 ASN 42 1HD2 ASN 42 -5.837 -9.814 0.251 309 HD22 ASN 42 2HD2 ASN 42 -7.080 -10.688 1.007 310 H HIS 43 H HIS 43 -3.552 -8.500 0.685 311 HA HIS 43 HA HIS 43 -3.458 -10.212 3.121 312 HB2 HIS 43 2HB HIS 43 -1.423 -8.708 3.754 313 HB3 HIS 43 1HB HIS 43 -1.168 -10.042 2.635 314 HD1 HIS 43 1HD HIS 43 -1.218 -6.308 2.831 315 HD2 HIS 43 2HD HIS 43 -0.740 -9.245 -0.087 316 HE1 HIS 43 1HE HIS 43 -0.249 -5.139 0.793 317 H SER 44 H SER 44 -3.258 -8.638 5.108 318 HA SER 44 HA SER 44 -5.465 -6.716 4.902 319 HB2 SER 44 2HB SER 44 -4.693 -6.474 7.406 320 HB3 SER 44 1HB SER 44 -5.440 -7.979 6.878 321 HG SER 44 HG SER 44 -3.567 -8.516 7.929 322 H CYS 45 H CYS 45 -5.197 -4.522 4.606 323 HA CYS 45 HA CYS 45 -2.433 -3.415 4.975 324 HB2 CYS 45 2HB CYS 45 -3.224 -1.811 3.122 325 HB3 CYS 45 1HB CYS 45 -2.889 -3.469 2.651 326 H ALA 46 H ALA 46 -2.585 -0.911 5.160 327 HA ALA 46 HA ALA 46 -3.215 0.865 6.604 328 HB1 ALA 46 1HB ALA 46 -5.120 0.367 4.757 329 HB2 ALA 46 2HB ALA 46 -5.303 1.631 5.972 330 HB3 ALA 46 3HB ALA 46 -6.062 0.059 6.215 331 H GLY 47 H GLY 47 -2.561 -1.483 8.003 332 HA2 GLY 47 2HA GLY 47 -2.839 -2.476 10.112 333 HA3 GLY 47 1HA GLY 47 -3.859 -1.092 10.519 334 H ASN 48 H ASN 48 -5.410 -2.483 11.585 335 HA ASN 48 HA ASN 48 -6.730 -4.583 10.026 336 HB2 ASN 48 2HB ASN 48 -6.663 -3.540 12.801 337 HB3 ASN 48 1HB ASN 48 -8.190 -4.267 12.299 338 HD21 ASN 48 1HD2 ASN 48 -8.241 -6.561 11.938 339 HD22 ASN 48 2HD2 ASN 48 -6.914 -7.568 12.262 340 H ARG 49 H ARG 49 -6.934 -1.958 8.845 341 HA ARG 49 HA ARG 49 -9.784 -1.236 9.355 342 HB2 ARG 49 2HB ARG 49 -7.373 0.248 8.291 343 HB3 ARG 49 1HB ARG 49 -9.001 0.916 8.253 344 HG2 ARG 49 2HG ARG 49 -8.914 0.147 10.835 345 HG3 ARG 49 1HG ARG 49 -7.198 0.462 10.572 346 HD2 ARG 49 2HD ARG 49 -7.980 2.583 11.221 347 HD3 ARG 49 1HD ARG 49 -8.095 2.692 9.453 348 HE ARG 49 HE ARG 49 -10.423 1.845 11.138 349 HH11 ARG 49 1HH1 ARG 49 -9.721 4.763 10.169 350 HH12 ARG 49 2HH1 ARG 49 -10.870 4.912 8.881 351 HH21 ARG 49 1HH2 ARG 49 -11.589 1.522 8.775 352 HH22 ARG 49 2HH2 ARG 49 -11.928 3.077 8.092 353 H GLY 50 H GLY 50 -7.397 -1.874 6.774 354 HA2 GLY 50 2HA GLY 50 -9.728 -2.259 4.932 355 HA3 GLY 50 1HA GLY 50 -8.244 -1.480 4.389 356 H TRP 51 H TRP 51 -9.085 -3.676 3.007 357 HA TRP 51 HA TRP 51 -7.064 -5.748 3.782 358 HB2 TRP 51 2HB TRP 51 -9.996 -5.898 3.496 359 HB3 TRP 51 1HB TRP 51 -9.129 -7.156 2.615 360 HD1 TRP 51 HD TRP 51 -10.414 -6.365 5.953 361 HE1 TRP 51 1HE TRP 51 -9.427 -7.959 7.723 362 HE3 TRP 51 3HE TRP 51 -6.623 -8.451 3.243 363 HZ2 TRP 51 2HZ TRP 51 -7.309 -9.867 7.958 364 HZ3 TRP 51 3HZ TRP 51 -5.136 -10.151 4.263 365 HH2 TRP 51 HH TRP 51 -5.474 -10.861 6.615 366 H CYS 52 H CYS 52 -6.698 -7.259 1.785 367 HA CYS 52 HA CYS 52 -6.545 -5.522 -0.641 368 HB2 CYS 52 2HB CYS 52 -4.572 -6.704 0.614 369 HB3 CYS 52 1HB CYS 52 -5.139 -8.147 -0.224 370 H ARG 53 H ARG 53 -8.237 -5.898 -2.018 371 HA ARG 53 HA ARG 53 -9.018 -8.746 -2.551 372 HB2 ARG 53 2HB ARG 53 -10.815 -6.303 -2.612 373 HB3 ARG 53 1HB ARG 53 -11.312 -7.991 -2.671 374 HG2 ARG 53 2HG ARG 53 -11.214 -8.214 -0.421 375 HG3 ARG 53 1HG ARG 53 -9.681 -7.347 -0.316 376 HD2 ARG 53 2HD ARG 53 -10.853 -5.196 -0.521 377 HD3 ARG 53 1HD ARG 53 -12.404 -6.047 -0.669 378 HE ARG 53 HE ARG 53 -10.697 -6.043 1.779 379 HH11 ARG 53 1HH2 ARG 53 -12.932 -8.093 0.498 380 HH12 ARG 53 2HH2 ARG 53 -14.132 -7.890 1.731 381 HH21 ARG 53 1HH1 ARG 53 -12.538 -5.188 3.209 382 HH22 ARG 53 2HH1 ARG 53 -13.910 -6.245 3.266 383 H SER 54 H SER 54 -9.256 -9.242 -4.776 384 HA SER 54 HA SER 54 -7.908 -7.757 -6.748 385 HB2 SER 54 2HB SER 54 -9.630 -9.092 -8.248 386 HB3 SER 54 1HB SER 54 -8.443 -9.971 -7.288 387 HG SER 54 HG SER 54 -11.041 -10.195 -7.181 388 H LYS 55 H LYS 55 -11.367 -7.765 -5.944 389 HA LYS 55 HA LYS 55 -11.610 -5.039 -7.130 390 HB2 LYS 55 2HB LYS 55 -12.670 -6.111 -8.843 391 HB3 LYS 55 1HB LYS 55 -12.778 -7.615 -7.940 392 HG2 LYS 55 2HG LYS 55 -14.704 -6.665 -6.669 393 HG3 LYS 55 1HG LYS 55 -14.647 -5.241 -7.711 394 HD2 LYS 55 2HD LYS 55 -14.650 -7.762 -9.211 395 HD3 LYS 55 1HD LYS 55 -16.099 -7.538 -8.231 396 HE2 LYS 55 2HE LYS 55 -15.414 -5.043 -9.526 397 HE3 LYS 55 1HE LYS 55 -15.557 -6.339 -10.732 398 HZ1 LYS 55 3HZ LYS 55 -17.679 -6.913 -9.967 399 HZ2 LYS 55 1HZ LYS 55 -17.705 -5.218 -10.012 400 HZ3 LYS 55 2HZ LYS 55 -17.510 -6.022 -8.529 401 H CYS 56 H CYS 56 -13.933 -4.169 -6.357 402 HA CYS 56 HA CYS 56 -14.776 -5.306 -3.757 403 HB2 CYS 56 2HB CYS 56 -13.236 -2.758 -4.165 404 HB3 CYS 56 1HB CYS 56 -14.388 -2.867 -2.834 405 H PHE 57 H PHE 57 -16.630 -3.922 -2.835 406 HA PHE 57 HA PHE 57 -18.566 -3.408 -4.963 407 HB2 PHE 57 2HB PHE 57 -18.595 -3.162 -1.940 408 HB3 PHE 57 1HB PHE 57 -20.021 -2.963 -2.955 409 HD1 PHE 57 2HD PHE 57 -20.566 -4.906 -4.607 410 HD2 PHE 57 1HD PHE 57 -17.978 -5.303 -1.201 411 HE1 PHE 57 2HE PHE 57 -20.882 -7.365 -4.652 412 HE2 PHE 57 1HE PHE 57 -18.295 -7.762 -1.247 413 HZ PHE 57 HZ PHE 57 -19.746 -8.793 -2.973 414 H ARG 58 H ARG 58 -19.990 -1.315 -4.572 415 HA ARG 58 HA ARG 58 -18.255 0.981 -4.984 416 HB2 ARG 58 2HB ARG 58 -20.580 0.255 -6.013 417 HB3 ARG 58 1HB ARG 58 -21.227 1.121 -4.620 418 HG2 ARG 58 2HG ARG 58 -20.195 3.165 -5.277 419 HG3 ARG 58 1HG ARG 58 -19.170 2.352 -6.460 420 HD2 ARG 58 2HD ARG 58 -20.757 2.825 -8.012 421 HD3 ARG 58 1HD ARG 58 -21.818 1.674 -7.174 422 HE ARG 58 HE ARG 58 -21.664 4.580 -6.462 423 HH11 ARG 58 1HH1 ARG 58 -22.918 1.972 -5.010 424 HH12 ARG 58 2HH1 ARG 58 -24.590 2.382 -5.190 425 HH21 ARG 58 1HH2 ARG 58 -23.990 4.948 -7.445 426 HH22 ARG 58 2HH2 ARG 58 -25.198 4.068 -6.569 427 H HIS 59 H HIS 59 -20.605 -0.023 -2.497 428 HA HIS 59 HA HIS 59 -20.654 2.242 -0.861 429 HB2 HIS 59 2HB HIS 59 -21.318 -0.500 -0.734 430 HB3 HIS 59 1HB HIS 59 -20.329 -0.185 0.692 431 HD1 HIS 59 1HD HIS 59 -22.615 2.376 -0.889 432 HD2 HIS 59 2HD HIS 59 -22.449 0.006 2.536 433 HE1 HIS 59 1HE HIS 59 -24.483 3.173 0.623 434 H GLU 60 H GLU 60 -18.007 0.083 -1.522 435 HA GLU 60 HA GLU 60 -16.358 1.371 0.622 436 HB2 GLU 60 2HB GLU 60 -16.324 -1.283 -0.830 437 HB3 GLU 60 1HB GLU 60 -14.936 -0.724 0.099 438 HG2 GLU 60 2HG GLU 60 -17.029 -0.284 1.842 439 HG3 GLU 60 1HG GLU 60 -17.510 -1.778 1.037 440 H TYR 61 H TYR 61 -13.865 1.138 -0.276 441 HA TYR 61 HA TYR 61 -13.761 1.897 -3.149 442 HB2 TYR 61 2HB TYR 61 -12.801 4.032 -2.724 443 HB3 TYR 61 1HB TYR 61 -14.158 3.920 -1.612 444 HD1 TYR 61 2HD TYR 61 -13.485 2.654 0.700 445 HD2 TYR 61 1HD TYR 61 -10.801 4.857 -1.830 446 HE1 TYR 61 2HE TYR 61 -11.969 3.001 2.624 447 HE2 TYR 61 1HE TYR 61 -9.287 5.208 0.101 448 HH TYR 61 HH TYR 61 -10.211 4.320 3.358 449 H VAL 62 H VAL 62 -11.163 2.788 -3.198 450 HA VAL 62 HA VAL 62 -9.575 0.499 -2.084 451 HB VAL 62 HB VAL 62 -9.686 1.751 -4.837 452 HG11 VAL 62 1HG1 VAL 62 -7.317 1.568 -4.175 453 HG12 VAL 62 2HG1 VAL 62 -7.713 0.382 -5.418 454 HG13 VAL 62 3HG1 VAL 62 -7.568 -0.121 -3.734 455 HG21 VAL 62 3HG2 VAL 62 -11.015 -0.059 -5.126 456 HG22 VAL 62 1HG2 VAL 62 -10.532 -0.754 -3.580 457 HG23 VAL 62 2HG2 VAL 62 -9.542 -1.021 -5.015 458 H ASP 63 H ASP 63 -8.578 1.739 -0.418 459 HA ASP 63 HA ASP 63 -7.748 4.408 -0.507 460 HB2 ASP 63 2HB ASP 63 -5.916 3.492 1.104 461 HB3 ASP 63 1HB ASP 63 -7.606 3.268 1.552 462 H THR 64 H THR 64 -6.975 4.868 -2.628 463 HA THR 64 HA THR 64 -5.065 3.638 -4.195 464 HB THR 64 HB THR 64 -4.309 6.215 -4.455 465 HG1 THR 64 1HG THR 64 -5.315 7.234 -2.898 466 HG21 THR 64 3HG2 THR 64 -6.314 4.502 -5.555 467 HG22 THR 64 1HG2 THR 64 -5.514 5.875 -6.319 468 HG23 THR 64 2HG2 THR 64 -7.000 6.120 -5.400 469 H TYR 65 H TYR 65 -4.524 5.201 -1.103 470 HA TYR 65 HA TYR 65 -1.684 5.534 -1.248 471 HB2 TYR 65 2HB TYR 65 -3.487 6.411 0.399 472 HB3 TYR 65 1HB TYR 65 -3.263 4.877 1.235 473 HD1 TYR 65 1HD TYR 65 -0.982 4.244 2.090 474 HD2 TYR 65 2HD TYR 65 -1.862 8.160 0.559 475 HE1 TYR 65 1HE TYR 65 1.057 5.130 3.186 476 HE2 TYR 65 2HE TYR 65 0.178 9.046 1.655 477 HH TYR 65 HH TYR 65 2.544 6.941 3.109 478 H TYR 66 H TYR 66 -3.639 2.884 0.193 479 HA TYR 66 HA TYR 66 -1.211 1.294 0.648 480 HB2 TYR 66 2HB TYR 66 -4.091 1.233 1.354 481 HB3 TYR 66 1HB TYR 66 -3.257 -0.325 1.319 482 HD1 TYR 66 1HD TYR 66 -1.120 -0.611 2.650 483 HD2 TYR 66 2HD TYR 66 -3.690 2.800 3.105 484 HE1 TYR 66 1HE TYR 66 -0.028 -0.077 4.810 485 HE2 TYR 66 2HE TYR 66 -2.600 3.333 5.267 486 HH TYR 66 HH TYR 66 -0.781 1.221 6.979 487 H SER 67 H SER 67 -3.149 1.789 -2.037 488 HA SER 67 HA SER 67 -3.606 -0.787 -3.138 489 HB2 SER 67 2HB SER 67 -3.626 1.954 -3.911 490 HB3 SER 67 1HB SER 67 -2.690 1.086 -5.126 491 HG SER 67 HG SER 67 -5.307 1.161 -4.843 492 H ALA 68 H ALA 68 -0.639 0.870 -2.481 493 HA ALA 68 HA ALA 68 1.042 -0.363 -4.477 494 HB1 ALA 68 1HB ALA 68 2.401 0.329 -2.026 495 HB2 ALA 68 2HB ALA 68 1.192 1.555 -2.408 496 HB3 ALA 68 3HB ALA 68 2.445 1.155 -3.583 497 H VAL 69 H VAL 69 0.760 -1.042 -0.948 498 HA VAL 69 HA VAL 69 2.371 -3.387 -1.004 499 HB VAL 69 HB VAL 69 1.581 -1.985 0.984 500 HG11 VAL 69 1HG1 VAL 69 -0.557 -3.087 2.015 501 HG12 VAL 69 2HG1 VAL 69 -0.937 -3.474 0.338 502 HG13 VAL 69 3HG1 VAL 69 -0.728 -1.795 0.829 503 HG21 VAL 69 3HG2 VAL 69 0.965 -4.469 2.123 504 HG22 VAL 69 1HG2 VAL 69 2.557 -3.715 2.023 505 HG23 VAL 69 2HG2 VAL 69 2.024 -4.825 0.763 506 H CYS 70 H CYS 70 -0.997 -2.828 -1.796 507 HA CYS 70 HA CYS 70 -1.927 -5.541 -1.679 508 HB2 CYS 70 2HB CYS 70 -2.776 -2.923 -2.568 509 HB3 CYS 70 1HB CYS 70 -3.256 -4.145 -3.747 510 H GLY 71 H GLY 71 -0.663 -3.609 -4.427 511 HA2 GLY 71 2HA GLY 71 0.679 -4.430 -6.221 512 HA3 GLY 71 1HA GLY 71 0.408 -6.073 -5.638 513 H ARG 72 H ARG 72 -0.444 -7.078 -7.435 514 HA ARG 72 HA ARG 72 -2.037 -6.033 -9.476 515 HB2 ARG 72 2HB ARG 72 -1.609 -8.671 -8.166 516 HB3 ARG 72 1HB ARG 72 -3.023 -8.546 -9.212 517 HG2 ARG 72 2HG ARG 72 -1.667 -8.825 -10.984 518 HG3 ARG 72 1HG ARG 72 -0.924 -7.270 -10.603 519 HD2 ARG 72 2HD ARG 72 0.605 -8.477 -8.991 520 HD3 ARG 72 1HD ARG 72 -0.043 -10.005 -9.621 521 HE ARG 72 HE ARG 72 1.492 -8.012 -11.223 522 HH11 ARG 72 1HH1 ARG 72 1.401 -11.201 -10.389 523 HH12 ARG 72 2HH1 ARG 72 1.446 -11.836 -12.000 524 HH21 ARG 72 1HH2 ARG 72 0.924 -8.759 -13.511 525 HH22 ARG 72 2HH2 ARG 72 1.175 -10.453 -13.767 526 H TYR 73 H TYR 73 -2.985 -6.979 -6.213 527 HA TYR 73 HA TYR 73 -5.863 -6.623 -6.773 528 HB2 TYR 73 2HB TYR 73 -4.150 -7.332 -4.383 529 HB3 TYR 73 1HB TYR 73 -5.887 -7.076 -4.231 530 HD1 TYR 73 2HD TYR 73 -3.581 -8.832 -6.630 531 HD2 TYR 73 1HD TYR 73 -7.162 -9.010 -4.265 532 HE1 TYR 73 2HE TYR 73 -3.997 -11.141 -7.432 533 HE2 TYR 73 1HE TYR 73 -7.578 -11.319 -5.066 534 HH TYR 73 HH TYR 73 -6.801 -12.641 -7.340 535 H PHE 74 H PHE 74 -6.948 -5.259 -4.821 536 HA PHE 74 HA PHE 74 -5.475 -2.647 -4.633 537 HB2 PHE 74 2HB PHE 74 -8.453 -3.130 -4.950 538 HB3 PHE 74 1HB PHE 74 -7.641 -1.567 -4.957 539 HD1 PHE 74 1HD PHE 74 -5.538 -1.512 -6.688 540 HD2 PHE 74 2HD PHE 74 -9.031 -3.984 -7.003 541 HE1 PHE 74 1HE PHE 74 -5.174 -1.718 -9.132 542 HE2 PHE 74 2HE PHE 74 -8.671 -4.196 -9.445 543 HZ PHE 74 HZ PHE 74 -6.737 -3.062 -10.514 544 H CYS 75 H CYS 75 -5.421 -1.780 -2.563 545 HA CYS 75 HA CYS 75 -6.463 -3.400 -0.357 546 HB2 CYS 75 2HB CYS 75 -4.324 -2.326 -0.114 547 HB3 CYS 75 1HB CYS 75 -4.979 -0.769 -0.626 548 H CYS 76 H CYS 76 -8.761 -3.289 -0.433 549 HA CYS 76 HA CYS 76 -10.127 -0.746 -0.846 550 HB2 CYS 76 2HB CYS 76 -11.065 -3.455 0.114 551 HB3 CYS 76 1HB CYS 76 -12.126 -2.142 -0.374 552 H ARG 77 H ARG 77 -11.713 0.037 0.781 553 HA ARG 77 HA ARG 77 -11.233 -0.580 3.610 554 HB2 ARG 77 2HB ARG 77 -9.951 1.651 2.148 555 HB3 ARG 77 1HB ARG 77 -10.714 2.108 3.671 556 HG2 ARG 77 2HG ARG 77 -9.486 0.068 4.676 557 HG3 ARG 77 1HG ARG 77 -8.503 0.110 3.211 558 HD2 ARG 77 2HD ARG 77 -7.399 1.434 4.960 559 HD3 ARG 77 1HD ARG 77 -7.994 2.532 3.699 560 HE ARG 77 HE ARG 77 -10.070 2.138 5.620 561 HH11 ARG 77 1HH1 ARG 77 -6.889 2.884 6.316 562 HH12 ARG 77 2HH1 ARG 77 -7.211 4.443 6.999 563 HH21 ARG 77 1HH2 ARG 77 -10.542 4.469 6.037 564 HH22 ARG 77 2HH2 ARG 77 -9.279 5.341 6.841 565 H SER 78 H SER 78 -12.520 1.152 4.956 566 HA SER 78 HA SER 78 -15.096 1.657 3.514 567 HB2 SER 78 2HB SER 78 -16.136 1.240 5.588 568 HB3 SER 78 1HB SER 78 -14.772 0.125 5.613 569 HG SER 78 HG SER 78 -15.175 2.528 6.997 570 H ARG 79 H ARG 79 -14.946 3.775 2.760 571 HA ARG 79 HA ARG 79 -13.496 5.907 3.947 572 HB2 ARG 79 2HB ARG 79 -14.535 5.707 1.635 573 HB3 ARG 79 1HB ARG 79 -16.085 6.093 2.382 574 HG2 ARG 79 2HG ARG 79 -14.719 8.123 3.402 575 HG3 ARG 79 1HG ARG 79 -13.678 7.835 2.007 576 HD2 ARG 79 2HD ARG 79 -16.508 7.782 1.270 577 HD3 ARG 79 1HD ARG 79 -16.025 9.336 1.979 578 HE ARG 79 HE ARG 79 -14.018 8.393 0.130 579 HH11 ARG 79 1HH1 ARG 79 -16.939 8.319 -1.072 580 HH12 ARG 79 2HH1 ARG 79 -16.913 9.810 -1.952 581 HH21 ARG 79 1HH2 ARG 79 -14.053 10.991 -0.388 582 HH22 ARG 79 2HH2 ARG 79 -15.279 11.324 -1.565 Start of MODEL 10 1 H1 ASN 1 1HT ASN 1 11.143 8.370 -12.711 2 H2 ASN 1 2HT ASN 1 12.787 8.243 -12.299 3 H3 ASN 1 3HT ASN 1 11.784 9.343 -11.479 4 HA ASN 1 HA ASN 1 10.452 7.092 -10.986 5 HB2 ASN 1 2HB ASN 1 13.359 6.492 -11.552 6 HB3 ASN 1 1HB ASN 1 12.403 5.461 -10.484 7 HD21 ASN 1 1HD2 ASN 1 13.502 5.155 -13.412 8 HD22 ASN 1 2HD2 ASN 1 12.151 4.579 -14.263 9 HA PRO 2 HA PRO 2 11.720 9.433 -7.342 10 HB2 PRO 2 2HB PRO 2 9.450 8.874 -5.917 11 HB3 PRO 2 1HB PRO 2 9.529 10.153 -7.145 12 HG2 PRO 2 2HG PRO 2 8.407 7.404 -7.344 13 HG3 PRO 2 1HG PRO 2 7.805 8.921 -8.029 14 HD2 PRO 2 2HD PRO 2 9.165 7.048 -9.475 15 HD3 PRO 2 1HD PRO 2 9.165 8.782 -9.865 16 H LEU 3 H LEU 3 12.174 8.728 -5.093 17 HA LEU 3 HA LEU 3 13.341 6.157 -4.870 18 HB2 LEU 3 2HB LEU 3 12.805 8.506 -3.263 19 HB3 LEU 3 1HB LEU 3 12.598 7.046 -2.295 20 HG LEU 3 HG LEU 3 14.912 6.609 -3.844 21 HD11 LEU 3 1HD1 LEU 3 16.293 8.589 -3.068 22 HD12 LEU 3 2HD1 LEU 3 14.777 9.398 -2.669 23 HD13 LEU 3 3HD1 LEU 3 15.127 8.956 -4.340 24 HD21 LEU 3 3HD2 LEU 3 14.090 6.843 -1.047 25 HD22 LEU 3 1HD2 LEU 3 15.759 7.357 -1.298 26 HD23 LEU 3 2HD2 LEU 3 15.252 5.739 -1.783 27 H ILE 4 H ILE 4 12.403 5.017 -2.513 28 HA ILE 4 HA ILE 4 10.184 3.430 -3.413 29 HB ILE 4 HB ILE 4 11.951 3.731 -1.061 30 HG12 ILE 4 2HG1 ILE 4 10.719 1.427 -2.592 31 HG13 ILE 4 1HG1 ILE 4 12.373 2.028 -2.713 32 HG21 ILE 4 1HG2 ILE 4 10.568 2.474 0.487 33 HG22 ILE 4 2HG2 ILE 4 9.279 2.333 -0.706 34 HG23 ILE 4 3HG2 ILE 4 9.662 3.905 -0.007 35 HD11 ILE 4 3HD1 ILE 4 12.170 -0.036 -1.309 36 HD12 ILE 4 1HD1 ILE 4 11.167 0.876 -0.184 37 HD13 ILE 4 2HD1 ILE 4 12.851 1.336 -0.437 38 HA PRO 5 HA PRO 5 6.810 5.935 -2.120 39 HB2 PRO 5 2HB PRO 5 4.917 3.993 -1.777 40 HB3 PRO 5 1HB PRO 5 5.466 4.537 -3.372 41 HG2 PRO 5 2HG PRO 5 6.192 2.091 -1.853 42 HG3 PRO 5 1HG PRO 5 5.978 2.317 -3.595 43 HD2 PRO 5 2HD PRO 5 8.418 2.184 -2.339 44 HD3 PRO 5 1HD PRO 5 8.135 2.984 -3.900 45 H ALA 6 H ALA 6 5.338 6.206 -0.230 46 HA ALA 6 HA ALA 6 6.671 5.482 2.268 47 HB1 ALA 6 1HB ALA 6 5.882 7.729 2.003 48 HB2 ALA 6 2HB ALA 6 4.793 6.968 3.163 49 HB3 ALA 6 3HB ALA 6 4.291 7.173 1.484 50 H ILE 7 H ILE 7 3.900 4.451 0.427 51 HA ILE 7 HA ILE 7 2.303 3.300 2.470 52 HB ILE 7 HB ILE 7 1.322 3.481 0.346 53 HG12 ILE 7 2HG1 ILE 7 0.755 1.235 -0.351 54 HG13 ILE 7 1HG1 ILE 7 2.221 0.588 0.385 55 HG21 ILE 7 1HG2 ILE 7 3.938 2.376 -0.647 56 HG22 ILE 7 2HG2 ILE 7 3.096 3.844 -1.139 57 HG23 ILE 7 3HG2 ILE 7 2.496 2.269 -1.656 58 HD11 ILE 7 3HD1 ILE 7 0.527 0.127 1.968 59 HD12 ILE 7 1HD1 ILE 7 -0.219 1.709 1.756 60 HD13 ILE 7 2HD1 ILE 7 1.321 1.570 2.595 61 H TYR 8 H TYR 8 5.088 1.962 0.717 62 HA TYR 8 HA TYR 8 4.877 -0.711 1.715 63 HB2 TYR 8 2HB TYR 8 7.150 1.016 0.710 64 HB3 TYR 8 1HB TYR 8 7.351 -0.697 1.079 65 HD1 TYR 8 1HD TYR 8 4.012 -0.157 0.070 66 HD2 TYR 8 2HD TYR 8 7.989 -0.520 -1.520 67 HE1 TYR 8 1HE TYR 8 3.071 -0.747 -2.134 68 HE2 TYR 8 2HE TYR 8 7.039 -1.112 -3.732 69 HH TYR 8 HH TYR 8 5.047 -1.948 -4.716 70 H ILE 9 H ILE 9 5.865 2.235 3.235 71 HA ILE 9 HA ILE 9 7.458 0.938 5.331 72 HB ILE 9 HB ILE 9 6.239 3.716 5.140 73 HG12 ILE 9 2HG1 ILE 9 8.850 2.562 4.131 74 HG13 ILE 9 1HG1 ILE 9 7.621 3.425 3.208 75 HG21 ILE 9 1HG2 ILE 9 7.546 2.433 7.258 76 HG22 ILE 9 2HG2 ILE 9 7.285 4.168 7.087 77 HG23 ILE 9 3HG2 ILE 9 8.787 3.442 6.516 78 HD11 ILE 9 3HD1 ILE 9 8.851 5.287 3.566 79 HD12 ILE 9 1HD1 ILE 9 9.830 4.490 4.798 80 HD13 ILE 9 2HD1 ILE 9 8.281 5.212 5.233 81 H GLY 10 H GLY 10 6.534 -0.083 7.045 82 HA2 GLY 10 2HA GLY 10 4.966 -0.621 8.715 83 HA3 GLY 10 1HA GLY 10 4.208 0.947 8.416 84 H ALA 11 H ALA 11 4.791 -1.423 5.895 85 HA ALA 11 HA ALA 11 1.809 -1.790 5.667 86 HB1 ALA 11 1HB ALA 11 2.215 -0.726 3.699 87 HB2 ALA 11 2HB ALA 11 2.898 -2.263 3.172 88 HB3 ALA 11 3HB ALA 11 3.952 -1.004 3.814 89 H THR 12 H THR 12 1.842 -3.795 3.706 90 HA THR 12 HA THR 12 3.567 -6.005 4.680 91 HB THR 12 HB THR 12 0.572 -5.816 5.076 92 HG1 THR 12 1HG THR 12 1.576 -5.156 6.862 93 HG21 THR 12 3HG2 THR 12 1.450 -8.304 6.013 94 HG22 THR 12 1HG2 THR 12 2.183 -8.138 4.418 95 HG23 THR 12 2HG2 THR 12 0.434 -8.010 4.602 96 H VAL 13 H VAL 13 4.282 -6.216 2.487 97 HA VAL 13 HA VAL 13 2.260 -6.586 0.355 98 HB VAL 13 HB VAL 13 4.185 -6.478 -1.094 99 HG11 VAL 13 1HG1 VAL 13 5.462 -4.486 -0.043 100 HG12 VAL 13 2HG1 VAL 13 4.341 -4.654 1.307 101 HG13 VAL 13 3HG1 VAL 13 3.730 -4.297 -0.307 102 HG21 VAL 13 3HG2 VAL 13 5.629 -7.286 1.409 103 HG22 VAL 13 1HG2 VAL 13 6.499 -6.366 0.182 104 HG23 VAL 13 2HG2 VAL 13 5.787 -7.927 -0.225 105 H GLY 14 H GLY 14 2.697 -8.528 -1.160 106 HA2 GLY 14 2HA GLY 14 2.694 -10.969 0.475 107 HA3 GLY 14 1HA GLY 14 2.365 -10.881 -1.256 108 HA PRO 15 HA PRO 15 6.603 -12.583 -0.762 109 HB2 PRO 15 2HB PRO 15 6.268 -14.622 -2.555 110 HB3 PRO 15 1HB PRO 15 5.828 -14.763 -0.842 111 HG2 PRO 15 2HG PRO 15 4.094 -14.290 -3.208 112 HG3 PRO 15 1HG PRO 15 3.782 -15.243 -1.750 113 HD2 PRO 15 2HD PRO 15 2.775 -12.729 -2.191 114 HD3 PRO 15 1HD PRO 15 3.023 -13.438 -0.580 115 H SER 16 H SER 16 4.690 -12.334 -3.780 116 HA SER 16 HA SER 16 6.936 -11.927 -5.528 117 HB2 SER 16 2HB SER 16 3.980 -11.291 -5.642 118 HB3 SER 16 1HB SER 16 5.056 -11.001 -7.004 119 HG SER 16 HG SER 16 4.177 -13.049 -7.202 120 H VAL 17 H VAL 17 4.553 -9.561 -4.248 121 HA VAL 17 HA VAL 17 5.804 -7.215 -5.218 122 HB VAL 17 HB VAL 17 4.249 -7.721 -2.657 123 HG11 VAL 17 1HG1 VAL 17 3.638 -5.317 -2.870 124 HG12 VAL 17 2HG1 VAL 17 4.759 -5.174 -4.224 125 HG13 VAL 17 3HG1 VAL 17 5.368 -5.543 -2.611 126 HG21 VAL 17 3HG2 VAL 17 2.319 -7.618 -3.907 127 HG22 VAL 17 1HG2 VAL 17 3.388 -8.252 -5.157 128 HG23 VAL 17 2HG2 VAL 17 3.026 -6.528 -5.098 129 H TRP 18 H TRP 18 6.267 -8.909 -2.101 130 HA TRP 18 HA TRP 18 8.104 -7.181 -0.864 131 HB2 TRP 18 2HB TRP 18 7.125 -9.221 0.127 132 HB3 TRP 18 1HB TRP 18 8.063 -10.215 -0.982 133 HD1 TRP 18 HD TRP 18 10.776 -10.087 -0.726 134 HE1 TRP 18 1HE TRP 18 12.216 -9.715 1.380 135 HE3 TRP 18 3HE TRP 18 7.264 -8.102 2.404 136 HZ2 TRP 18 2HZ TRP 18 11.918 -8.709 4.041 137 HZ3 TRP 18 3HZ TRP 18 7.867 -7.447 4.716 138 HH2 TRP 18 HH TRP 18 10.187 -7.748 5.538 139 H ALA 19 H ALA 19 9.015 -10.075 -2.757 140 HA ALA 19 HA ALA 19 11.736 -9.726 -3.026 141 HB1 ALA 19 1HB ALA 19 9.552 -10.958 -4.501 142 HB2 ALA 19 2HB ALA 19 11.199 -11.545 -4.262 143 HB3 ALA 19 3HB ALA 19 10.840 -10.440 -5.589 144 H TYR 20 H TYR 20 9.216 -8.004 -4.849 145 HA TYR 20 HA TYR 20 10.948 -6.608 -6.656 146 HB2 TYR 20 2HB TYR 20 8.429 -6.901 -6.729 147 HB3 TYR 20 1HB TYR 20 8.320 -5.678 -5.463 148 HD1 TYR 20 1HD TYR 20 10.373 -6.051 -8.588 149 HD2 TYR 20 2HD TYR 20 7.673 -3.608 -6.308 150 HE1 TYR 20 1HE TYR 20 10.550 -4.261 -10.296 151 HE2 TYR 20 2HE TYR 20 7.850 -1.818 -8.017 152 HH TYR 20 HH TYR 20 8.705 -2.140 -10.932 153 H LEU 21 H LEU 21 9.332 -5.336 -3.718 154 HA LEU 21 HA LEU 21 10.602 -2.868 -3.499 155 HB2 LEU 21 2HB LEU 21 8.801 -4.129 -2.078 156 HB3 LEU 21 1HB LEU 21 10.179 -4.662 -1.116 157 HG LEU 21 HG LEU 21 9.343 -1.804 -1.676 158 HD11 LEU 21 1HD1 LEU 21 9.330 -3.620 0.726 159 HD12 LEU 21 2HD1 LEU 21 8.036 -2.594 0.108 160 HD13 LEU 21 3HD1 LEU 21 9.417 -1.870 0.931 161 HD21 LEU 21 3HD2 LEU 21 11.301 -1.286 -0.133 162 HD22 LEU 21 1HD2 LEU 21 11.743 -1.845 -1.747 163 HD23 LEU 21 2HD2 LEU 21 11.826 -2.952 -0.376 164 H VAL 22 H VAL 22 11.735 -5.899 -1.942 165 HA VAL 22 HA VAL 22 14.117 -5.081 -0.807 166 HB VAL 22 HB VAL 22 13.665 -7.572 -2.477 167 HG11 VAL 22 1HG1 VAL 22 15.286 -8.600 -0.970 168 HG12 VAL 22 2HG1 VAL 22 15.422 -7.102 -0.050 169 HG13 VAL 22 3HG1 VAL 22 16.009 -7.173 -1.712 170 HG21 VAL 22 3HG2 VAL 22 12.215 -6.619 -0.250 171 HG22 VAL 22 1HG2 VAL 22 13.286 -7.872 0.378 172 HG23 VAL 22 2HG2 VAL 22 12.164 -8.244 -0.932 173 H ALA 23 H ALA 23 13.851 -6.286 -4.161 174 HA ALA 23 HA ALA 23 16.453 -5.782 -5.054 175 HB1 ALA 23 1HB ALA 23 15.315 -5.531 -7.291 176 HB2 ALA 23 2HB ALA 23 13.772 -5.468 -6.440 177 HB3 ALA 23 3HB ALA 23 14.759 -6.928 -6.369 178 H LEU 24 H LEU 24 13.711 -3.495 -4.920 179 HA LEU 24 HA LEU 24 14.867 -1.260 -6.170 180 HB2 LEU 24 2HB LEU 24 12.528 -1.805 -5.055 181 HB3 LEU 24 1HB LEU 24 13.242 -1.001 -3.659 182 HG LEU 24 HG LEU 24 13.669 1.004 -4.971 183 HD11 LEU 24 1HD1 LEU 24 12.827 -0.794 -7.228 184 HD12 LEU 24 2HD1 LEU 24 14.207 0.300 -7.133 185 HD13 LEU 24 3HD1 LEU 24 12.583 0.948 -7.365 186 HD21 LEU 24 3HD2 LEU 24 11.536 1.697 -4.684 187 HD22 LEU 24 1HD2 LEU 24 11.139 0.021 -4.302 188 HD23 LEU 24 2HD2 LEU 24 10.948 0.619 -5.950 189 H VAL 25 H VAL 25 15.141 -2.313 -2.771 190 HA VAL 25 HA VAL 25 17.500 -0.482 -2.499 191 HB VAL 25 HB VAL 25 15.889 0.598 -1.205 192 HG11 VAL 25 1HG1 VAL 25 14.374 -0.985 0.333 193 HG12 VAL 25 2HG1 VAL 25 14.715 -2.131 -0.963 194 HG13 VAL 25 3HG1 VAL 25 13.933 -0.595 -1.328 195 HG21 VAL 25 3HG2 VAL 25 17.834 -0.795 0.198 196 HG22 VAL 25 1HG2 VAL 25 16.351 -1.175 1.075 197 HG23 VAL 25 2HG2 VAL 25 16.832 0.505 0.840 198 H GLY 26 H GLY 26 16.225 -2.689 -0.050 199 HA2 GLY 26 2HA GLY 26 17.779 -4.979 -0.611 200 HA3 GLY 26 1HA GLY 26 18.767 -3.918 0.396 201 H ALA 27 H ALA 27 17.986 -6.390 1.394 202 HA ALA 27 HA ALA 27 15.550 -6.444 2.858 203 HB1 ALA 27 1HB ALA 27 16.730 -8.464 2.624 204 HB2 ALA 27 2HB ALA 27 17.036 -8.043 4.310 205 HB3 ALA 27 3HB ALA 27 18.265 -7.726 3.085 206 H ALA 28 H ALA 28 18.485 -4.657 3.412 207 HA ALA 28 HA ALA 28 18.195 -4.307 6.261 208 HB1 ALA 28 1HB ALA 28 19.600 -2.685 4.115 209 HB2 ALA 28 2HB ALA 28 20.307 -4.016 5.030 210 HB3 ALA 28 3HB ALA 28 19.876 -2.514 5.848 211 H ALA 29 H ALA 29 17.751 -1.921 3.621 212 HA ALA 29 HA ALA 29 16.257 -0.072 5.238 213 HB1 ALA 29 1HB ALA 29 16.540 1.155 3.349 214 HB2 ALA 29 2HB ALA 29 15.639 -0.019 2.390 215 HB3 ALA 29 3HB ALA 29 17.366 -0.242 2.661 216 H VAL 30 H VAL 30 15.419 -3.011 3.610 217 HA VAL 30 HA VAL 30 12.563 -2.470 3.362 218 HB VAL 30 HB VAL 30 14.376 -4.881 3.157 219 HG11 VAL 30 1HG1 VAL 30 11.360 -4.743 2.902 220 HG12 VAL 30 2HG1 VAL 30 12.295 -5.766 3.994 221 HG13 VAL 30 3HG1 VAL 30 12.328 -6.067 2.256 222 HG21 VAL 30 3HG2 VAL 30 12.641 -4.054 0.923 223 HG22 VAL 30 1HG2 VAL 30 14.361 -4.436 0.926 224 HG23 VAL 30 2HG2 VAL 30 13.815 -2.832 1.409 225 H THR 31 H THR 31 14.698 -4.012 5.738 226 HA THR 31 HA THR 31 12.483 -5.036 7.363 227 HB THR 31 HB THR 31 15.435 -4.673 7.971 228 HG1 THR 31 1HG THR 31 15.475 -6.910 7.301 229 HG21 THR 31 3HG2 THR 31 15.010 -6.581 9.527 230 HG22 THR 31 1HG2 THR 31 13.290 -6.455 9.157 231 HG23 THR 31 2HG2 THR 31 14.119 -5.124 9.966 232 H ALA 32 H ALA 32 14.603 -2.204 7.341 233 HA ALA 32 HA ALA 32 13.727 -1.227 9.952 234 HB1 ALA 32 1HB ALA 32 15.483 -0.397 7.692 235 HB2 ALA 32 2HB ALA 32 15.824 -0.428 9.421 236 HB3 ALA 32 3HB ALA 32 14.878 0.891 8.733 237 H ALA 33 H ALA 33 12.640 -0.956 6.645 238 HA ALA 33 HA ALA 33 11.035 1.453 7.042 239 HB1 ALA 33 1HB ALA 33 11.068 -0.722 4.923 240 HB2 ALA 33 2HB ALA 33 11.968 0.794 4.869 241 HB3 ALA 33 3HB ALA 33 10.206 0.810 4.777 242 H ASN 34 H ASN 34 10.706 -1.526 8.365 243 HA ASN 34 HA ASN 34 8.897 -2.663 9.349 244 HB2 ASN 34 2HB ASN 34 8.485 -0.299 10.059 245 HB3 ASN 34 1HB ASN 34 7.469 -0.087 8.638 246 HD21 ASN 34 1HD2 ASN 34 6.455 0.132 11.345 247 HD22 ASN 34 2HD2 ASN 34 5.349 -1.133 11.585 248 H ILE 35 H ILE 35 9.241 -3.772 7.040 249 HA ILE 35 HA ILE 35 6.662 -3.621 5.516 250 HB ILE 35 HB ILE 35 9.486 -4.439 4.770 251 HG12 ILE 35 2HG1 ILE 35 7.764 -2.352 3.441 252 HG13 ILE 35 1HG1 ILE 35 8.667 -1.962 4.906 253 HG21 ILE 35 1HG2 ILE 35 7.544 -4.265 2.593 254 HG22 ILE 35 2HG2 ILE 35 7.134 -5.533 3.748 255 HG23 ILE 35 3HG2 ILE 35 8.709 -5.540 2.955 256 HD11 ILE 35 3HD1 ILE 35 9.867 -1.486 2.702 257 HD12 ILE 35 1HD1 ILE 35 9.971 -3.234 2.493 258 HD13 ILE 35 2HD1 ILE 35 10.759 -2.462 3.869 259 H ARG 36 H ARG 36 5.372 -5.427 5.692 260 HA ARG 36 HA ARG 36 6.599 -7.898 6.862 261 HB2 ARG 36 2HB ARG 36 3.674 -7.140 6.722 262 HB3 ARG 36 1HB ARG 36 4.444 -8.292 7.812 263 HG2 ARG 36 2HG ARG 36 5.853 -6.148 8.520 264 HG3 ARG 36 1HG ARG 36 4.427 -5.303 7.917 265 HD2 ARG 36 2HD ARG 36 3.506 -5.698 9.960 266 HD3 ARG 36 1HD ARG 36 3.376 -7.395 9.455 267 HE ARG 36 HE ARG 36 5.813 -6.300 10.814 268 HH11 ARG 36 1HH2 ARG 36 3.140 -8.133 11.479 269 HH12 ARG 36 2HH2 ARG 36 3.993 -9.558 11.971 270 HH21 ARG 36 1HH1 ARG 36 7.079 -8.407 10.886 271 HH22 ARG 36 2HH1 ARG 36 6.224 -9.713 11.636 272 H ARG 37 H ARG 37 6.249 -9.886 5.829 273 HA ARG 37 HA ARG 37 5.442 -9.749 2.985 274 HB2 ARG 37 2HB ARG 37 7.065 -11.427 4.779 275 HB3 ARG 37 1HB ARG 37 6.131 -12.356 3.604 276 HG2 ARG 37 2HG ARG 37 7.096 -10.305 2.053 277 HG3 ARG 37 1HG ARG 37 8.431 -10.565 3.178 278 HD2 ARG 37 2HD ARG 37 7.136 -12.960 1.903 279 HD3 ARG 37 1HD ARG 37 8.306 -12.007 0.968 280 HE ARG 37 HE ARG 37 9.947 -13.031 2.315 281 HH11 ARG 37 1HH2 ARG 37 7.673 -14.661 3.667 282 HH12 ARG 37 2HH2 ARG 37 8.012 -14.330 5.333 283 HH21 ARG 37 1HH1 ARG 37 10.123 -11.665 4.647 284 HH22 ARG 37 2HH1 ARG 37 9.399 -12.633 5.888 285 H ALA 38 H ALA 38 3.780 -11.177 2.130 286 HA ALA 38 HA ALA 38 1.886 -12.247 4.196 287 HB1 ALA 38 1HB ALA 38 0.290 -11.476 2.114 288 HB2 ALA 38 2HB ALA 38 1.576 -10.273 2.013 289 HB3 ALA 38 3HB ALA 38 0.651 -10.452 3.504 290 H SER 39 H SER 39 0.294 -13.833 3.106 291 HA SER 39 HA SER 39 1.684 -15.995 1.907 292 HB2 SER 39 2HB SER 39 -0.325 -16.537 2.949 293 HB3 SER 39 1HB SER 39 -1.162 -15.138 2.283 294 HG SER 39 HG SER 39 -1.387 -16.172 0.378 295 H SER 40 H SER 40 -0.055 -13.281 0.456 296 HA SER 40 HA SER 40 1.239 -13.805 -2.135 297 HB2 SER 40 2HB SER 40 -1.774 -13.771 -2.028 298 HB3 SER 40 1HB SER 40 -0.731 -14.362 -3.317 299 HG SER 40 HG SER 40 -1.672 -16.034 -2.002 300 H ASP 41 H ASP 41 0.199 -12.116 -3.791 301 HA ASP 41 HA ASP 41 0.728 -9.499 -2.921 302 HB2 ASP 41 2HB ASP 41 -0.927 -10.722 -5.124 303 HB3 ASP 41 1HB ASP 41 -0.806 -8.969 -4.966 304 H ASN 42 H ASN 42 -2.300 -11.330 -2.789 305 HA ASN 42 HA ASN 42 -3.881 -9.017 -1.913 306 HB2 ASN 42 2HB ASN 42 -4.871 -10.779 -3.267 307 HB3 ASN 42 1HB ASN 42 -4.380 -12.004 -2.097 308 HD21 ASN 42 1HD2 ASN 42 -7.142 -10.772 -3.067 309 HD22 ASN 42 2HD2 ASN 42 -7.970 -10.550 -1.602 310 H HIS 43 H HIS 43 -3.086 -8.290 0.099 311 HA HIS 43 HA HIS 43 -3.347 -10.240 2.355 312 HB2 HIS 43 2HB HIS 43 -1.292 -8.894 3.270 313 HB3 HIS 43 1HB HIS 43 -1.023 -10.148 2.065 314 HD1 HIS 43 1HD HIS 43 -1.444 -6.368 2.285 315 HD2 HIS 43 2HD HIS 43 0.150 -9.240 -0.279 316 HE1 HIS 43 1HE HIS 43 -0.204 -5.099 0.469 317 H SER 44 H SER 44 -3.212 -8.876 4.511 318 HA SER 44 HA SER 44 -5.359 -6.917 4.408 319 HB2 SER 44 2HB SER 44 -5.406 -7.344 6.654 320 HB3 SER 44 1HB SER 44 -4.321 -8.667 6.240 321 HG SER 44 HG SER 44 -3.748 -6.128 7.307 322 H CYS 45 H CYS 45 -5.168 -4.665 4.588 323 HA CYS 45 HA CYS 45 -2.391 -3.560 4.797 324 HB2 CYS 45 2HB CYS 45 -3.149 -1.903 3.046 325 HB3 CYS 45 1HB CYS 45 -3.022 -3.557 2.474 326 H ALA 46 H ALA 46 -2.651 -1.031 5.041 327 HA ALA 46 HA ALA 46 -3.229 0.625 6.651 328 HB1 ALA 46 1HB ALA 46 -5.008 1.277 5.360 329 HB2 ALA 46 2HB ALA 46 -5.968 0.545 6.645 330 HB3 ALA 46 3HB ALA 46 -5.601 -0.374 5.185 331 H GLY 47 H GLY 47 -2.549 -1.832 7.870 332 HA2 GLY 47 2HA GLY 47 -2.731 -2.870 9.970 333 HA3 GLY 47 1HA GLY 47 -3.859 -1.591 10.425 334 H ASN 48 H ASN 48 -5.202 -3.272 11.446 335 HA ASN 48 HA ASN 48 -6.398 -5.318 9.730 336 HB2 ASN 48 2HB ASN 48 -5.891 -5.801 12.056 337 HB3 ASN 48 1HB ASN 48 -6.831 -4.407 12.589 338 HD21 ASN 48 1HD2 ASN 48 -8.570 -5.415 13.682 339 HD22 ASN 48 2HD2 ASN 48 -9.607 -6.550 12.961 340 H ARG 49 H ARG 49 -6.886 -2.645 8.780 341 HA ARG 49 HA ARG 49 -9.802 -2.324 9.365 342 HB2 ARG 49 2HB ARG 49 -7.534 -0.417 8.818 343 HB3 ARG 49 1HB ARG 49 -9.208 0.082 8.601 344 HG2 ARG 49 2HG ARG 49 -9.017 -1.281 11.104 345 HG3 ARG 49 1HG ARG 49 -7.725 -0.082 11.034 346 HD2 ARG 49 2HD ARG 49 -9.436 1.286 11.793 347 HD3 ARG 49 1HD ARG 49 -9.755 1.414 10.051 348 HE ARG 49 HE ARG 49 -11.202 -0.759 10.546 349 HH11 ARG 49 1HH2 ARG 49 -10.828 -0.105 13.535 350 HH12 ARG 49 2HH2 ARG 49 -12.328 0.690 13.874 351 HH21 ARG 49 1HH1 ARG 49 -13.122 1.188 10.535 352 HH22 ARG 49 2HH1 ARG 49 -13.628 1.423 12.175 353 H GLY 50 H GLY 50 -7.290 -2.349 6.849 354 HA2 GLY 50 2HA GLY 50 -9.501 -2.435 4.828 355 HA3 GLY 50 1HA GLY 50 -7.956 -1.653 4.506 356 H TRP 51 H TRP 51 -8.624 -3.530 2.707 357 HA TRP 51 HA TRP 51 -6.699 -5.728 3.271 358 HB2 TRP 51 2HB TRP 51 -9.652 -5.861 3.090 359 HB3 TRP 51 1HB TRP 51 -8.791 -7.085 2.164 360 HD1 TRP 51 HD TRP 51 -9.925 -6.281 5.587 361 HE1 TRP 51 1HE TRP 51 -8.941 -7.953 7.284 362 HE3 TRP 51 3HE TRP 51 -6.410 -8.543 2.656 363 HZ2 TRP 51 2HZ TRP 51 -6.928 -9.983 7.384 364 HZ3 TRP 51 3HZ TRP 51 -4.975 -10.336 3.576 365 HH2 TRP 51 HH TRP 51 -5.229 -11.063 5.933 366 H CYS 52 H CYS 52 -6.129 -6.891 1.213 367 HA CYS 52 HA CYS 52 -6.361 -5.080 -1.136 368 HB2 CYS 52 2HB CYS 52 -4.675 -7.513 -0.466 369 HB3 CYS 52 1HB CYS 52 -4.570 -6.647 -1.993 370 H ARG 53 H ARG 53 -8.311 -5.533 -2.189 371 HA ARG 53 HA ARG 53 -8.865 -8.412 -2.847 372 HB2 ARG 53 2HB ARG 53 -10.844 -6.122 -2.684 373 HB3 ARG 53 1HB ARG 53 -11.200 -7.844 -2.707 374 HG2 ARG 53 2HG ARG 53 -10.933 -8.021 -0.476 375 HG3 ARG 53 1HG ARG 53 -9.403 -7.144 -0.519 376 HD2 ARG 53 2HD ARG 53 -10.616 -5.000 -0.619 377 HD3 ARG 53 1HD ARG 53 -12.162 -5.871 -0.583 378 HE ARG 53 HE ARG 53 -10.550 -6.781 1.593 379 HH11 ARG 53 1HH1 ARG 53 -10.169 -3.752 1.662 380 HH12 ARG 53 2HH1 ARG 53 -11.453 -3.279 2.723 381 HH21 ARG 53 1HH2 ARG 53 -13.138 -6.299 2.462 382 HH22 ARG 53 2HH2 ARG 53 -13.133 -4.720 3.176 383 H SER 54 H SER 54 -9.588 -8.814 -5.034 384 HA SER 54 HA SER 54 -8.412 -7.264 -7.102 385 HB2 SER 54 2HB SER 54 -9.108 -9.095 -8.247 386 HB3 SER 54 1HB SER 54 -9.881 -9.648 -6.765 387 HG SER 54 HG SER 54 -10.975 -8.626 -9.041 388 H LYS 55 H LYS 55 -11.825 -7.455 -6.101 389 HA LYS 55 HA LYS 55 -12.211 -4.674 -7.136 390 HB2 LYS 55 2HB LYS 55 -13.493 -5.734 -8.700 391 HB3 LYS 55 1HB LYS 55 -13.467 -7.248 -7.805 392 HG2 LYS 55 2HG LYS 55 -15.234 -6.403 -6.312 393 HG3 LYS 55 1HG LYS 55 -15.270 -4.884 -7.209 394 HD2 LYS 55 2HD LYS 55 -15.500 -7.180 -8.987 395 HD3 LYS 55 1HD LYS 55 -16.782 -7.166 -7.774 396 HE2 LYS 55 2HE LYS 55 -16.393 -4.481 -8.749 397 HE3 LYS 55 1HE LYS 55 -16.642 -5.577 -10.122 398 HZ1 LYS 55 3HZ LYS 55 -18.613 -6.399 -9.202 399 HZ2 LYS 55 1HZ LYS 55 -18.716 -4.724 -8.952 400 HZ3 LYS 55 2HZ LYS 55 -18.286 -5.749 -7.667 401 H CYS 56 H CYS 56 -14.348 -3.762 -6.042 402 HA CYS 56 HA CYS 56 -14.809 -4.919 -3.343 403 HB2 CYS 56 2HB CYS 56 -13.627 -2.199 -3.956 404 HB3 CYS 56 1HB CYS 56 -14.279 -2.631 -2.375 405 H PHE 57 H PHE 57 -16.575 -3.664 -2.189 406 HA PHE 57 HA PHE 57 -18.802 -3.178 -4.017 407 HB2 PHE 57 2HB PHE 57 -18.622 -2.757 -1.023 408 HB3 PHE 57 1HB PHE 57 -20.060 -3.136 -1.967 409 HD1 PHE 57 1HD PHE 57 -19.665 -5.332 -3.559 410 HD2 PHE 57 2HD PHE 57 -17.730 -4.526 0.190 411 HE1 PHE 57 1HE PHE 57 -19.214 -7.754 -3.271 412 HE2 PHE 57 2HE PHE 57 -17.279 -6.947 0.479 413 HZ PHE 57 HZ PHE 57 -18.020 -8.562 -1.252 414 H ARG 58 H ARG 58 -20.234 -1.160 -3.417 415 HA ARG 58 HA ARG 58 -18.689 1.218 -3.996 416 HB2 ARG 58 2HB ARG 58 -21.128 0.438 -4.630 417 HB3 ARG 58 1HB ARG 58 -21.553 1.206 -3.099 418 HG2 ARG 58 2HG ARG 58 -20.239 3.247 -3.949 419 HG3 ARG 58 1HG ARG 58 -20.297 2.475 -5.535 420 HD2 ARG 58 2HD ARG 58 -22.347 3.412 -5.801 421 HD3 ARG 58 1HD ARG 58 -22.932 2.313 -4.536 422 HE ARG 58 HE ARG 58 -21.805 4.246 -3.018 423 HH11 ARG 58 1HH1 ARG 58 -22.050 5.976 -5.554 424 HH12 ARG 58 2HH1 ARG 58 -23.539 6.801 -5.233 425 HH21 ARG 58 1HH2 ARG 58 -24.501 4.637 -2.701 426 HH22 ARG 58 2HH2 ARG 58 -24.926 6.043 -3.618 427 H HIS 59 H HIS 59 -20.554 0.078 -1.174 428 HA HIS 59 HA HIS 59 -20.350 2.279 0.532 429 HB2 HIS 59 2HB HIS 59 -21.133 -0.341 0.690 430 HB3 HIS 59 1HB HIS 59 -19.705 -0.354 1.725 431 HD1 HIS 59 1HD HIS 59 -19.762 2.133 3.269 432 HD2 HIS 59 2HD HIS 59 -23.312 0.181 2.289 433 HE1 HIS 59 1HE HIS 59 -21.504 2.941 4.920 434 H GLU 60 H GLU 60 -17.797 0.221 -0.656 435 HA GLU 60 HA GLU 60 -15.850 1.537 1.203 436 HB2 GLU 60 2HB GLU 60 -15.947 -1.158 -0.180 437 HB3 GLU 60 1HB GLU 60 -14.526 -0.563 0.668 438 HG2 GLU 60 2HG GLU 60 -16.500 -0.130 2.526 439 HG3 GLU 60 1HG GLU 60 -17.048 -1.619 1.754 440 H TYR 61 H TYR 61 -13.570 1.570 0.079 441 HA TYR 61 HA TYR 61 -13.860 2.132 -2.846 442 HB2 TYR 61 2HB TYR 61 -12.585 4.185 -2.547 443 HB3 TYR 61 1HB TYR 61 -13.965 4.212 -1.458 444 HD1 TYR 61 2HD TYR 61 -13.520 3.205 0.955 445 HD2 TYR 61 1HD TYR 61 -10.456 4.639 -1.694 446 HE1 TYR 61 2HE TYR 61 -11.998 3.510 2.885 447 HE2 TYR 61 1HE TYR 61 -8.937 4.948 0.240 448 HH TYR 61 HH TYR 61 -9.191 5.321 2.738 449 H VAL 62 H VAL 62 -11.289 2.828 -3.405 450 HA VAL 62 HA VAL 62 -9.747 0.377 -2.616 451 HB VAL 62 HB VAL 62 -9.981 2.040 -5.126 452 HG11 VAL 62 1HG1 VAL 62 -7.666 1.819 -5.140 453 HG12 VAL 62 2HG1 VAL 62 -8.140 0.307 -5.912 454 HG13 VAL 62 3HG1 VAL 62 -7.699 0.324 -4.204 455 HG21 VAL 62 3HG2 VAL 62 -11.367 -0.112 -4.421 456 HG22 VAL 62 1HG2 VAL 62 -9.920 -0.953 -4.977 457 HG23 VAL 62 2HG2 VAL 62 -10.812 0.093 -6.082 458 H ASP 63 H ASP 63 -8.752 1.429 -0.770 459 HA ASP 63 HA ASP 63 -7.579 3.889 -0.455 460 HB2 ASP 63 2HB ASP 63 -7.556 1.670 0.957 461 HB3 ASP 63 1HB ASP 63 -5.993 1.414 0.185 462 H THR 64 H THR 64 -6.872 4.732 -2.500 463 HA THR 64 HA THR 64 -5.089 3.572 -4.342 464 HB THR 64 HB THR 64 -4.394 6.195 -4.403 465 HG1 THR 64 1HG THR 64 -5.499 7.222 -2.969 466 HG21 THR 64 3HG2 THR 64 -5.477 5.306 -6.277 467 HG22 THR 64 1HG2 THR 64 -6.659 6.468 -5.673 468 HG23 THR 64 2HG2 THR 64 -6.858 4.748 -5.334 469 H TYR 65 H TYR 65 -4.430 4.809 -1.150 470 HA TYR 65 HA TYR 65 -1.578 5.214 -1.483 471 HB2 TYR 65 2HB TYR 65 -3.348 6.058 0.269 472 HB3 TYR 65 1HB TYR 65 -2.945 4.564 1.113 473 HD1 TYR 65 1HD TYR 65 -0.876 6.965 -0.896 474 HD2 TYR 65 2HD TYR 65 -1.518 5.049 2.894 475 HE1 TYR 65 1HE TYR 65 1.194 8.008 -0.018 476 HE2 TYR 65 2HE TYR 65 0.552 6.092 3.773 477 HH TYR 65 HH TYR 65 2.520 8.266 1.737 478 H TYR 66 H TYR 66 -3.538 2.547 -0.115 479 HA TYR 66 HA TYR 66 -1.107 0.940 0.342 480 HB2 TYR 66 2HB TYR 66 -4.019 0.839 1.004 481 HB3 TYR 66 1HB TYR 66 -3.096 -0.664 1.078 482 HD1 TYR 66 1HD TYR 66 -1.218 -0.921 2.647 483 HD2 TYR 66 2HD TYR 66 -3.551 2.683 2.523 484 HE1 TYR 66 1HE TYR 66 -0.243 -0.217 4.815 485 HE2 TYR 66 2HE TYR 66 -2.577 3.387 4.693 486 HH TYR 66 HH TYR 66 -0.406 1.252 6.512 487 H SER 67 H SER 67 -3.281 1.389 -2.258 488 HA SER 67 HA SER 67 -3.614 -1.188 -3.351 489 HB2 SER 67 2HB SER 67 -4.279 0.032 -5.176 490 HB3 SER 67 1HB SER 67 -4.073 1.408 -4.095 491 HG SER 67 HG SER 67 -2.841 1.033 -6.325 492 H ALA 68 H ALA 68 -0.743 0.704 -2.917 493 HA ALA 68 HA ALA 68 0.941 -0.548 -4.887 494 HB1 ALA 68 1HB ALA 68 1.195 1.644 -3.554 495 HB2 ALA 68 2HB ALA 68 2.652 0.676 -3.776 496 HB3 ALA 68 3HB ALA 68 1.791 0.633 -2.238 497 H VAL 69 H VAL 69 0.682 -1.088 -1.324 498 HA VAL 69 HA VAL 69 2.503 -3.268 -1.253 499 HB VAL 69 HB VAL 69 1.617 -1.951 0.688 500 HG11 VAL 69 1HG1 VAL 69 -0.683 -1.761 0.414 501 HG12 VAL 69 2HG1 VAL 69 -0.561 -3.013 1.649 502 HG13 VAL 69 3HG1 VAL 69 -0.872 -3.456 -0.027 503 HG21 VAL 69 3HG2 VAL 69 2.514 -3.657 1.827 504 HG22 VAL 69 1HG2 VAL 69 2.123 -4.770 0.518 505 HG23 VAL 69 2HG2 VAL 69 0.945 -4.460 1.791 506 H CYS 70 H CYS 70 -0.969 -3.193 -1.995 507 HA CYS 70 HA CYS 70 -1.467 -6.006 -1.879 508 HB2 CYS 70 2HB CYS 70 -2.601 -3.922 -3.776 509 HB3 CYS 70 1HB CYS 70 -3.358 -5.456 -3.349 510 H GLY 71 H GLY 71 -0.553 -3.962 -4.680 511 HA2 GLY 71 2HA GLY 71 1.038 -4.620 -6.373 512 HA3 GLY 71 1HA GLY 71 0.870 -6.295 -5.844 513 H ARG 72 H ARG 72 -0.625 -7.588 -6.874 514 HA ARG 72 HA ARG 72 -1.873 -6.577 -9.309 515 HB2 ARG 72 2HB ARG 72 -1.609 -9.162 -7.813 516 HB3 ARG 72 1HB ARG 72 -2.846 -9.044 -9.064 517 HG2 ARG 72 2HG ARG 72 -1.287 -9.297 -10.663 518 HG3 ARG 72 1HG ARG 72 -0.422 -7.881 -10.063 519 HD2 ARG 72 2HD ARG 72 1.002 -9.157 -8.712 520 HD3 ARG 72 1HD ARG 72 -0.139 -10.514 -8.624 521 HE ARG 72 HE ARG 72 1.851 -10.241 -10.635 522 HH11 ARG 72 1HH1 ARG 72 -0.581 -12.253 -9.901 523 HH12 ARG 72 2HH1 ARG 72 -1.145 -12.536 -11.515 524 HH21 ARG 72 1HH2 ARG 72 0.720 -9.965 -12.903 525 HH22 ARG 72 2HH2 ARG 72 -0.409 -11.241 -13.213 526 H TYR 73 H TYR 73 -2.755 -6.451 -6.064 527 HA TYR 73 HA TYR 73 -5.676 -6.357 -6.755 528 HB2 TYR 73 2HB TYR 73 -4.177 -7.134 -4.236 529 HB3 TYR 73 1HB TYR 73 -5.926 -6.918 -4.290 530 HD1 TYR 73 2HD TYR 73 -7.301 -8.343 -5.859 531 HD2 TYR 73 1HD TYR 73 -3.154 -9.121 -5.062 532 HE1 TYR 73 2HE TYR 73 -7.567 -10.647 -6.736 533 HE2 TYR 73 1HE TYR 73 -3.418 -11.427 -5.939 534 HH TYR 73 HH TYR 73 -5.829 -13.051 -6.141 535 H PHE 74 H PHE 74 -6.816 -4.917 -4.955 536 HA PHE 74 HA PHE 74 -5.187 -2.416 -4.614 537 HB2 PHE 74 2HB PHE 74 -8.191 -2.492 -4.828 538 HB3 PHE 74 1HB PHE 74 -7.091 -1.177 -5.231 539 HD1 PHE 74 2HD PHE 74 -8.249 -4.549 -6.303 540 HD2 PHE 74 1HD PHE 74 -6.187 -0.953 -7.420 541 HE1 PHE 74 2HE PHE 74 -8.243 -5.292 -8.666 542 HE2 PHE 74 1HE PHE 74 -6.182 -1.693 -9.786 543 HZ PHE 74 HZ PHE 74 -7.208 -3.862 -10.411 544 H CYS 75 H CYS 75 -5.191 -1.544 -2.523 545 HA CYS 75 HA CYS 75 -6.337 -3.157 -0.364 546 HB2 CYS 75 2HB CYS 75 -4.190 -2.105 -0.018 547 HB3 CYS 75 1HB CYS 75 -4.813 -0.538 -0.525 548 H CYS 76 H CYS 76 -8.658 -2.954 -0.617 549 HA CYS 76 HA CYS 76 -9.869 -0.311 -0.880 550 HB2 CYS 76 2HB CYS 76 -10.903 -3.080 -0.239 551 HB3 CYS 76 1HB CYS 76 -11.956 -1.683 -0.434 552 H ARG 77 H ARG 77 -11.525 0.326 0.841 553 HA ARG 77 HA ARG 77 -10.920 -0.504 3.601 554 HB2 ARG 77 2HB ARG 77 -9.983 2.042 2.306 555 HB3 ARG 77 1HB ARG 77 -10.351 2.031 4.031 556 HG2 ARG 77 2HG ARG 77 -8.855 -0.154 3.990 557 HG3 ARG 77 1HG ARG 77 -8.188 0.598 2.542 558 HD2 ARG 77 2HD ARG 77 -6.895 1.286 4.533 559 HD3 ARG 77 1HD ARG 77 -7.763 2.681 3.865 560 HE ARG 77 HE ARG 77 -9.534 1.472 5.680 561 HH11 ARG 77 1HH2 ARG 77 -6.633 3.303 5.551 562 HH12 ARG 77 2HH2 ARG 77 -6.650 3.709 7.235 563 HH21 ARG 77 1HH1 ARG 77 -9.472 1.820 7.935 564 HH22 ARG 77 2HH1 ARG 77 -8.257 2.870 8.585 565 H SER 78 H SER 78 -12.103 1.273 5.089 566 HA SER 78 HA SER 78 -14.802 1.687 3.851 567 HB2 SER 78 2HB SER 78 -13.941 1.403 6.749 568 HB3 SER 78 1HB SER 78 -15.604 1.511 6.180 569 HG SER 78 HG SER 78 -14.594 -0.667 6.559 570 H ARG 79 H ARG 79 -14.336 3.796 2.986 571 HA ARG 79 HA ARG 79 -13.207 5.923 4.613 572 HB2 ARG 79 2HB ARG 79 -13.311 5.556 2.033 573 HB3 ARG 79 1HB ARG 79 -14.924 6.262 2.155 574 HG2 ARG 79 2HG ARG 79 -13.546 8.128 1.736 575 HG3 ARG 79 1HG ARG 79 -13.759 8.162 3.487 576 HD2 ARG 79 2HD ARG 79 -11.589 6.736 3.580 577 HD3 ARG 79 1HD ARG 79 -11.338 7.282 1.909 578 HE ARG 79 HE ARG 79 -11.933 9.632 3.131 579 HH11 ARG 79 1HH1 ARG 79 -9.224 7.755 2.885 580 HH12 ARG 79 2HH1 ARG 79 -8.392 8.421 4.250 581 HH21 ARG 79 1HH2 ARG 79 -11.145 10.191 5.396 582 HH22 ARG 79 2HH2 ARG 79 -9.481 9.800 5.673 Start of MODEL 11 1 H1 ASN 1 1HT ASN 1 9.160 8.127 -5.578 2 H2 ASN 1 2HT ASN 1 7.601 7.909 -6.216 3 H3 ASN 1 3HT ASN 1 8.644 9.064 -6.894 4 HA ASN 1 HA ASN 1 8.425 6.268 -7.463 5 HB2 ASN 1 2HB ASN 1 9.369 8.854 -8.588 6 HB3 ASN 1 1HB ASN 1 10.101 7.403 -9.271 7 HD21 ASN 1 1HD2 ASN 1 8.865 7.922 -11.302 8 HD22 ASN 1 2HD2 ASN 1 7.221 7.508 -11.399 9 HA PRO 2 HA PRO 2 13.173 6.321 -6.916 10 HB2 PRO 2 2HB PRO 2 14.331 8.563 -5.855 11 HB3 PRO 2 1HB PRO 2 14.063 8.347 -7.597 12 HG2 PRO 2 2HG PRO 2 12.481 9.912 -5.621 13 HG3 PRO 2 1HG PRO 2 12.898 10.302 -7.296 14 HD2 PRO 2 2HD PRO 2 10.456 9.362 -6.541 15 HD3 PRO 2 1HD PRO 2 11.157 9.088 -8.151 16 H LEU 3 H LEU 3 14.497 5.838 -4.984 17 HA LEU 3 HA LEU 3 14.715 5.190 -2.722 18 HB2 LEU 3 2HB LEU 3 14.051 7.924 -2.936 19 HB3 LEU 3 1HB LEU 3 13.055 7.296 -1.622 20 HG LEU 3 HG LEU 3 15.967 6.566 -1.756 21 HD11 LEU 3 1HD1 LEU 3 15.730 9.076 -1.965 22 HD12 LEU 3 2HD1 LEU 3 16.577 8.541 -0.514 23 HD13 LEU 3 3HD1 LEU 3 14.895 9.061 -0.412 24 HD21 LEU 3 3HD2 LEU 3 15.441 6.823 0.822 25 HD22 LEU 3 1HD2 LEU 3 14.909 5.384 -0.048 26 HD23 LEU 3 2HD2 LEU 3 13.767 6.686 0.284 27 H ILE 4 H ILE 4 13.447 4.322 -0.877 28 HA ILE 4 HA ILE 4 11.168 2.824 -1.633 29 HB ILE 4 HB ILE 4 12.467 3.693 0.933 30 HG12 ILE 4 2HG1 ILE 4 13.456 1.856 -0.329 31 HG13 ILE 4 1HG1 ILE 4 12.728 1.213 1.143 32 HG21 ILE 4 1HG2 ILE 4 10.619 1.804 1.746 33 HG22 ILE 4 2HG2 ILE 4 9.676 2.807 0.645 34 HG23 ILE 4 3HG2 ILE 4 10.483 3.539 2.030 35 HD11 ILE 4 3HD1 ILE 4 11.954 -0.266 -0.509 36 HD12 ILE 4 1HD1 ILE 4 11.727 1.023 -1.690 37 HD13 ILE 4 2HD1 ILE 4 10.611 0.863 -0.333 38 HA PRO 5 HA PRO 5 7.939 5.823 -1.461 39 HB2 PRO 5 2HB PRO 5 5.833 4.094 -1.213 40 HB3 PRO 5 1HB PRO 5 6.711 4.319 -2.739 41 HG2 PRO 5 2HG PRO 5 6.964 2.156 -0.712 42 HG3 PRO 5 1HG PRO 5 6.989 2.050 -2.480 43 HD2 PRO 5 2HD PRO 5 9.227 1.964 -0.947 44 HD3 PRO 5 1HD PRO 5 9.209 2.605 -2.606 45 H ALA 6 H ALA 6 5.584 5.428 0.049 46 HA ALA 6 HA ALA 6 6.623 5.458 2.834 47 HB1 ALA 6 1HB ALA 6 4.630 6.985 3.190 48 HB2 ALA 6 2HB ALA 6 4.366 6.924 1.447 49 HB3 ALA 6 3HB ALA 6 5.849 7.626 2.090 50 H ILE 7 H ILE 7 3.881 4.542 0.775 51 HA ILE 7 HA ILE 7 2.245 3.293 2.718 52 HB ILE 7 HB ILE 7 1.302 3.644 0.592 53 HG12 ILE 7 2HG1 ILE 7 0.659 1.477 -0.246 54 HG13 ILE 7 1HG1 ILE 7 2.110 0.728 0.420 55 HG21 ILE 7 1HG2 ILE 7 3.987 3.013 -0.306 56 HG22 ILE 7 2HG2 ILE 7 2.719 3.912 -1.139 57 HG23 ILE 7 3HG2 ILE 7 2.787 2.155 -1.273 58 HD11 ILE 7 3HD1 ILE 7 -0.315 1.756 1.872 59 HD12 ILE 7 1HD1 ILE 7 1.226 1.600 2.707 60 HD13 ILE 7 2HD1 ILE 7 0.465 0.180 1.998 61 H TYR 8 H TYR 8 4.996 2.003 0.890 62 HA TYR 8 HA TYR 8 4.721 -0.730 1.669 63 HB2 TYR 8 2HB TYR 8 6.991 1.053 0.788 64 HB3 TYR 8 1HB TYR 8 7.252 -0.660 1.133 65 HD1 TYR 8 1HD TYR 8 5.170 1.683 -0.903 66 HD2 TYR 8 2HD TYR 8 6.638 -2.324 -0.428 67 HE1 TYR 8 1HE TYR 8 4.221 1.081 -3.105 68 HE2 TYR 8 2HE TYR 8 5.690 -2.927 -2.637 69 HH TYR 8 HH TYR 8 4.834 -0.788 -4.917 70 H ILE 9 H ILE 9 5.941 2.067 3.379 71 HA ILE 9 HA ILE 9 7.420 0.594 5.405 72 HB ILE 9 HB ILE 9 6.222 3.380 5.240 73 HG12 ILE 9 2HG1 ILE 9 9.062 2.347 4.944 74 HG13 ILE 9 1HG1 ILE 9 8.024 2.878 3.621 75 HG21 ILE 9 1HG2 ILE 9 8.114 3.671 7.093 76 HG22 ILE 9 2HG2 ILE 9 7.745 1.973 7.395 77 HG23 ILE 9 3HG2 ILE 9 6.475 3.189 7.532 78 HD11 ILE 9 3HD1 ILE 9 9.311 4.792 4.074 79 HD12 ILE 9 1HD1 ILE 9 9.265 4.523 5.817 80 HD13 ILE 9 2HD1 ILE 9 7.825 5.094 4.974 81 H GLY 10 H GLY 10 6.643 -0.090 7.438 82 HA2 GLY 10 2HA GLY 10 5.010 -0.958 8.893 83 HA3 GLY 10 1HA GLY 10 4.255 0.629 8.712 84 H ALA 11 H ALA 11 4.814 -1.696 6.118 85 HA ALA 11 HA ALA 11 1.830 -1.964 5.833 86 HB1 ALA 11 1HB ALA 11 3.005 -2.372 3.336 87 HB2 ALA 11 2HB ALA 11 3.973 -1.083 4.052 88 HB3 ALA 11 3HB ALA 11 2.229 -0.885 3.881 89 H THR 12 H THR 12 1.813 -3.898 3.827 90 HA THR 12 HA THR 12 3.495 -6.172 4.741 91 HB THR 12 HB THR 12 0.508 -5.882 5.086 92 HG1 THR 12 1HG THR 12 0.994 -6.280 7.147 93 HG21 THR 12 3HG2 THR 12 0.216 -8.017 4.446 94 HG22 THR 12 1HG2 THR 12 1.230 -8.501 5.805 95 HG23 THR 12 2HG2 THR 12 1.951 -8.238 4.217 96 H VAL 13 H VAL 13 4.282 -6.182 2.527 97 HA VAL 13 HA VAL 13 2.308 -6.493 0.340 98 HB VAL 13 HB VAL 13 4.215 -6.182 -1.065 99 HG11 VAL 13 1HG1 VAL 13 4.789 -4.697 1.518 100 HG12 VAL 13 2HG1 VAL 13 3.646 -4.182 0.280 101 HG13 VAL 13 3HG1 VAL 13 5.368 -4.244 -0.083 102 HG21 VAL 13 3HG2 VAL 13 6.523 -6.478 -0.280 103 HG22 VAL 13 1HG2 VAL 13 5.602 -7.957 -0.005 104 HG23 VAL 13 2HG2 VAL 13 5.940 -6.866 1.339 105 H GLY 14 H GLY 14 2.524 -8.381 -1.158 106 HA2 GLY 14 2HA GLY 14 2.624 -10.880 0.313 107 HA3 GLY 14 1HA GLY 14 2.386 -10.719 -1.429 108 HA PRO 15 HA PRO 15 6.641 -12.361 -0.687 109 HB2 PRO 15 2HB PRO 15 6.420 -14.464 -2.424 110 HB3 PRO 15 1HB PRO 15 5.928 -14.563 -0.721 111 HG2 PRO 15 2HG PRO 15 4.259 -14.197 -3.156 112 HG3 PRO 15 1HG PRO 15 3.929 -15.133 -1.690 113 HD2 PRO 15 2HD PRO 15 2.851 -12.671 -2.201 114 HD3 PRO 15 1HD PRO 15 3.104 -13.323 -0.566 115 H SER 16 H SER 16 4.768 -12.086 -3.709 116 HA SER 16 HA SER 16 7.037 -11.782 -5.461 117 HB2 SER 16 2HB SER 16 4.136 -11.731 -5.520 118 HB3 SER 16 1HB SER 16 4.797 -10.459 -6.542 119 HG SER 16 HG SER 16 4.596 -12.981 -7.129 120 H VAL 17 H VAL 17 4.766 -9.362 -4.085 121 HA VAL 17 HA VAL 17 6.018 -7.042 -5.130 122 HB VAL 17 HB VAL 17 4.598 -7.463 -2.478 123 HG11 VAL 17 1HG1 VAL 17 5.650 -5.279 -2.573 124 HG12 VAL 17 2HG1 VAL 17 3.921 -5.069 -2.847 125 HG13 VAL 17 3HG1 VAL 17 5.042 -5.012 -4.208 126 HG21 VAL 17 3HG2 VAL 17 3.113 -6.367 -4.772 127 HG22 VAL 17 1HG2 VAL 17 2.634 -7.608 -3.614 128 HG23 VAL 17 2HG2 VAL 17 3.638 -8.036 -4.999 129 H TRP 18 H TRP 18 6.562 -8.713 -2.014 130 HA TRP 18 HA TRP 18 8.479 -7.029 -0.857 131 HB2 TRP 18 2HB TRP 18 7.503 -9.065 0.151 132 HB3 TRP 18 1HB TRP 18 8.405 -10.062 -0.985 133 HD1 TRP 18 HD TRP 18 11.085 -10.092 -0.745 134 HE1 TRP 18 1HE TRP 18 12.596 -9.681 1.303 135 HE3 TRP 18 3HE TRP 18 7.763 -7.756 2.350 136 HZ2 TRP 18 2HZ TRP 18 12.419 -8.517 3.909 137 HZ3 TRP 18 3HZ TRP 18 8.459 -7.008 4.606 138 HH2 TRP 18 HH TRP 18 10.781 -7.384 5.390 139 H ALA 19 H ALA 19 9.246 -9.904 -2.844 140 HA ALA 19 HA ALA 19 11.974 -9.587 -3.198 141 HB1 ALA 19 1HB ALA 19 10.886 -11.472 -4.132 142 HB2 ALA 19 2HB ALA 19 11.436 -10.566 -5.542 143 HB3 ALA 19 3HB ALA 19 9.750 -10.470 -5.034 144 H TYR 20 H TYR 20 9.422 -7.953 -5.080 145 HA TYR 20 HA TYR 20 11.074 -6.537 -6.904 146 HB2 TYR 20 2HB TYR 20 8.640 -6.715 -7.072 147 HB3 TYR 20 1HB TYR 20 8.445 -5.817 -5.569 148 HD1 TYR 20 1HD TYR 20 10.014 -5.509 -8.961 149 HD2 TYR 20 2HD TYR 20 8.184 -3.495 -5.637 150 HE1 TYR 20 1HE TYR 20 10.075 -3.374 -10.221 151 HE2 TYR 20 2HE TYR 20 8.245 -1.360 -6.897 152 HH TYR 20 HH TYR 20 9.843 -1.130 -10.046 153 H LEU 21 H LEU 21 9.496 -5.085 -4.047 154 HA LEU 21 HA LEU 21 10.813 -2.683 -3.831 155 HB2 LEU 21 2HB LEU 21 9.061 -3.721 -2.322 156 HB3 LEU 21 1HB LEU 21 10.364 -4.602 -1.524 157 HG LEU 21 HG LEU 21 10.324 -1.587 -1.802 158 HD11 LEU 21 1HD1 LEU 21 9.947 -2.514 0.892 159 HD12 LEU 21 2HD1 LEU 21 8.705 -3.228 -0.137 160 HD13 LEU 21 3HD1 LEU 21 8.893 -1.476 -0.069 161 HD21 LEU 21 3HD2 LEU 21 11.830 -2.320 0.399 162 HD22 LEU 21 1HD2 LEU 21 12.483 -1.924 -1.192 163 HD23 LEU 21 2HD2 LEU 21 12.184 -3.605 -0.756 164 H VAL 22 H VAL 22 12.028 -5.692 -2.295 165 HA VAL 22 HA VAL 22 14.450 -4.873 -1.272 166 HB VAL 22 HB VAL 22 13.683 -7.346 -2.838 167 HG11 VAL 22 1HG1 VAL 22 16.283 -6.532 -1.662 168 HG12 VAL 22 2HG1 VAL 22 15.943 -7.680 -2.957 169 HG13 VAL 22 3HG1 VAL 22 15.743 -8.164 -1.274 170 HG21 VAL 22 3HG2 VAL 22 13.229 -8.298 -0.724 171 HG22 VAL 22 1HG2 VAL 22 12.612 -6.653 -0.575 172 HG23 VAL 22 2HG2 VAL 22 14.173 -7.076 0.127 173 H ALA 23 H ALA 23 14.025 -6.001 -4.637 174 HA ALA 23 HA ALA 23 16.576 -5.510 -5.652 175 HB1 ALA 23 1HB ALA 23 15.449 -5.376 -7.796 176 HB2 ALA 23 2HB ALA 23 13.950 -4.858 -7.025 177 HB3 ALA 23 3HB ALA 23 14.540 -6.502 -6.787 178 H LEU 24 H LEU 24 13.891 -3.170 -5.332 179 HA LEU 24 HA LEU 24 15.148 -0.914 -6.489 180 HB2 LEU 24 2HB LEU 24 12.740 -1.401 -5.559 181 HB3 LEU 24 1HB LEU 24 13.387 -0.746 -4.055 182 HG LEU 24 HG LEU 24 14.077 1.307 -5.262 183 HD11 LEU 24 1HD1 LEU 24 13.032 -0.289 -7.568 184 HD12 LEU 24 2HD1 LEU 24 14.433 0.780 -7.489 185 HD13 LEU 24 3HD1 LEU 24 12.808 1.460 -7.598 186 HD21 LEU 24 3HD2 LEU 24 11.379 1.496 -6.126 187 HD22 LEU 24 1HD2 LEU 24 12.055 2.042 -4.591 188 HD23 LEU 24 2HD2 LEU 24 11.389 0.415 -4.732 189 H VAL 25 H VAL 25 15.086 -1.914 -3.048 190 HA VAL 25 HA VAL 25 17.472 -0.153 -2.605 191 HB VAL 25 HB VAL 25 15.770 0.765 -1.294 192 HG11 VAL 25 1HG1 VAL 25 14.295 -0.971 0.098 193 HG12 VAL 25 2HG1 VAL 25 14.724 -2.029 -1.245 194 HG13 VAL 25 3HG1 VAL 25 13.876 -0.515 -1.552 195 HG21 VAL 25 3HG2 VAL 25 17.749 -0.640 0.053 196 HG22 VAL 25 1HG2 VAL 25 16.265 -1.122 0.876 197 HG23 VAL 25 2HG2 VAL 25 16.690 0.585 0.749 198 H GLY 26 H GLY 26 16.232 -2.561 -0.337 199 HA2 GLY 26 2HA GLY 26 17.847 -4.768 -1.023 200 HA3 GLY 26 1HA GLY 26 18.806 -3.744 0.047 201 H ALA 27 H ALA 27 18.076 -6.294 0.889 202 HA ALA 27 HA ALA 27 15.640 -6.480 2.344 203 HB1 ALA 27 1HB ALA 27 17.410 -8.242 1.700 204 HB2 ALA 27 2HB ALA 27 16.670 -8.406 3.293 205 HB3 ALA 27 3HB ALA 27 18.283 -7.711 3.138 206 H ALA 28 H ALA 28 18.555 -4.702 3.019 207 HA ALA 28 HA ALA 28 18.258 -4.549 5.886 208 HB1 ALA 28 1HB ALA 28 19.572 -2.389 4.302 209 HB2 ALA 28 2HB ALA 28 20.217 -4.021 4.123 210 HB3 ALA 28 3HB ALA 28 20.170 -3.260 5.714 211 H ALA 29 H ALA 29 17.806 -1.993 3.412 212 HA ALA 29 HA ALA 29 16.331 -0.235 5.124 213 HB1 ALA 29 1HB ALA 29 15.609 -0.098 2.300 214 HB2 ALA 29 2HB ALA 29 17.349 -0.300 2.509 215 HB3 ALA 29 3HB ALA 29 16.521 1.059 3.268 216 H VAL 30 H VAL 30 15.452 -3.138 3.458 217 HA VAL 30 HA VAL 30 12.599 -2.621 3.271 218 HB VAL 30 HB VAL 30 14.452 -4.990 3.046 219 HG11 VAL 30 1HG1 VAL 30 12.182 -6.083 2.170 220 HG12 VAL 30 2HG1 VAL 30 11.477 -4.984 3.355 221 HG13 VAL 30 3HG1 VAL 30 12.655 -6.194 3.865 222 HG21 VAL 30 3HG2 VAL 30 12.484 -4.210 0.962 223 HG22 VAL 30 1HG2 VAL 30 14.165 -4.711 0.786 224 HG23 VAL 30 2HG2 VAL 30 13.783 -3.060 1.274 225 H THR 31 H THR 31 14.731 -4.296 5.590 226 HA THR 31 HA THR 31 12.526 -5.166 7.299 227 HB THR 31 HB THR 31 15.526 -4.955 7.727 228 HG1 THR 31 1HG THR 31 15.308 -7.259 7.276 229 HG21 THR 31 3HG2 THR 31 14.672 -7.014 9.283 230 HG22 THR 31 1HG2 THR 31 13.283 -5.931 9.393 231 HG23 THR 31 2HG2 THR 31 14.882 -5.366 9.876 232 H ALA 32 H ALA 32 14.661 -2.372 7.112 233 HA ALA 32 HA ALA 32 13.998 -1.368 9.779 234 HB1 ALA 32 1HB ALA 32 15.682 -0.695 7.459 235 HB2 ALA 32 2HB ALA 32 16.002 -0.465 9.178 236 HB3 ALA 32 3HB ALA 32 15.037 0.718 8.295 237 H ALA 33 H ALA 33 12.679 -1.096 6.552 238 HA ALA 33 HA ALA 33 11.109 1.317 7.090 239 HB1 ALA 33 1HB ALA 33 11.581 1.071 4.838 240 HB2 ALA 33 2HB ALA 33 10.017 0.255 4.879 241 HB3 ALA 33 3HB ALA 33 11.506 -0.689 4.912 242 H ASN 34 H ASN 34 10.862 -1.680 8.369 243 HA ASN 34 HA ASN 34 9.104 -2.867 9.397 244 HB2 ASN 34 2HB ASN 34 8.725 -0.609 10.310 245 HB3 ASN 34 1HB ASN 34 7.742 -0.200 8.908 246 HD21 ASN 34 1HD2 ASN 34 7.353 -3.489 9.893 247 HD22 ASN 34 2HD2 ASN 34 5.892 -3.292 10.729 248 H ILE 35 H ILE 35 9.224 -3.999 7.144 249 HA ILE 35 HA ILE 35 6.575 -3.724 5.755 250 HB ILE 35 HB ILE 35 9.346 -4.491 4.788 251 HG12 ILE 35 2HG1 ILE 35 7.651 -2.434 3.467 252 HG13 ILE 35 1HG1 ILE 35 8.274 -2.025 5.066 253 HG21 ILE 35 1HG2 ILE 35 7.230 -5.804 3.869 254 HG22 ILE 35 2HG2 ILE 35 8.478 -5.229 2.763 255 HG23 ILE 35 3HG2 ILE 35 6.981 -4.318 2.955 256 HD11 ILE 35 3HD1 ILE 35 10.522 -2.244 4.377 257 HD12 ILE 35 1HD1 ILE 35 9.745 -1.432 3.018 258 HD13 ILE 35 2HD1 ILE 35 10.082 -3.161 2.937 259 H ARG 36 H ARG 36 5.334 -5.593 5.699 260 HA ARG 36 HA ARG 36 6.595 -8.083 6.798 261 HB2 ARG 36 2HB ARG 36 3.705 -7.154 6.827 262 HB3 ARG 36 1HB ARG 36 4.351 -8.570 7.658 263 HG2 ARG 36 2HG ARG 36 5.793 -7.132 9.031 264 HG3 ARG 36 1HG ARG 36 5.199 -5.705 8.181 265 HD2 ARG 36 2HD ARG 36 3.478 -5.586 9.648 266 HD3 ARG 36 1HD ARG 36 2.919 -7.176 9.090 267 HE ARG 36 HE ARG 36 5.024 -7.827 10.732 268 HH11 ARG 36 1HH1 ARG 36 2.089 -8.228 11.459 269 HH12 ARG 36 2HH1 ARG 36 2.009 -7.412 12.985 270 HH21 ARG 36 1HH2 ARG 36 5.003 -5.721 12.538 271 HH22 ARG 36 2HH2 ARG 36 3.658 -5.993 13.595 272 H ARG 37 H ARG 37 6.078 -10.068 5.761 273 HA ARG 37 HA ARG 37 5.171 -9.789 2.941 274 HB2 ARG 37 2HB ARG 37 6.990 -11.483 4.523 275 HB3 ARG 37 1HB ARG 37 6.037 -12.376 3.335 276 HG2 ARG 37 2HG ARG 37 6.950 -11.221 1.531 277 HG3 ARG 37 1HG ARG 37 7.367 -9.816 2.511 278 HD2 ARG 37 2HD ARG 37 9.426 -11.010 1.965 279 HD3 ARG 37 1HD ARG 37 9.088 -11.262 3.690 280 HE ARG 37 HE ARG 37 8.343 -13.504 3.184 281 HH11 ARG 37 1HH2 ARG 37 10.763 -12.742 1.233 282 HH12 ARG 37 2HH2 ARG 37 10.253 -13.632 -0.164 283 HH21 ARG 37 1HH1 ARG 37 7.050 -14.200 1.039 284 HH22 ARG 37 2HH1 ARG 37 8.151 -14.456 -0.274 285 H ALA 38 H ALA 38 3.359 -10.949 2.177 286 HA ALA 38 HA ALA 38 1.707 -12.297 4.285 287 HB1 ALA 38 1HB ALA 38 -0.153 -11.613 2.611 288 HB2 ALA 38 2HB ALA 38 1.082 -10.595 1.869 289 HB3 ALA 38 3HB ALA 38 0.611 -10.328 3.547 290 H SER 39 H SER 39 0.303 -14.075 3.415 291 HA SER 39 HA SER 39 1.675 -16.143 2.148 292 HB2 SER 39 2HB SER 39 -0.763 -16.848 1.539 293 HB3 SER 39 1HB SER 39 -0.359 -16.623 3.238 294 HG SER 39 HG SER 39 -2.322 -15.530 2.233 295 H SER 40 H SER 40 0.059 -13.393 0.662 296 HA SER 40 HA SER 40 1.332 -13.964 -1.911 297 HB2 SER 40 2HB SER 40 -1.689 -14.017 -1.770 298 HB3 SER 40 1HB SER 40 -0.662 -14.482 -3.125 299 HG SER 40 HG SER 40 -1.502 -15.943 -1.015 300 H ASP 41 H ASP 41 -0.138 -12.384 -3.581 301 HA ASP 41 HA ASP 41 0.502 -9.711 -2.771 302 HB2 ASP 41 2HB ASP 41 -1.115 -11.018 -4.955 303 HB3 ASP 41 1HB ASP 41 -1.045 -9.260 -4.829 304 H ASN 42 H ASN 42 -2.319 -11.696 -2.269 305 HA ASN 42 HA ASN 42 -4.072 -9.403 -1.639 306 HB2 ASN 42 2HB ASN 42 -4.715 -11.595 -2.798 307 HB3 ASN 42 1HB ASN 42 -4.542 -12.365 -1.220 308 HD21 ASN 42 1HD2 ASN 42 -5.955 -11.451 0.572 309 HD22 ASN 42 2HD2 ASN 42 -7.454 -10.775 0.156 310 H HIS 43 H HIS 43 -3.642 -8.429 0.339 311 HA HIS 43 HA HIS 43 -3.605 -10.174 2.742 312 HB2 HIS 43 2HB HIS 43 -1.586 -8.713 3.503 313 HB3 HIS 43 1HB HIS 43 -1.285 -10.024 2.369 314 HD1 HIS 43 1HD HIS 43 -1.308 -6.294 2.646 315 HD2 HIS 43 2HD HIS 43 -0.718 -9.173 -0.307 316 HE1 HIS 43 1HE HIS 43 -0.234 -5.091 0.680 317 H SER 44 H SER 44 -3.505 -8.642 4.758 318 HA SER 44 HA SER 44 -5.665 -6.690 4.458 319 HB2 SER 44 2HB SER 44 -5.823 -6.977 6.727 320 HB3 SER 44 1HB SER 44 -4.802 -8.376 6.412 321 HG SER 44 HG SER 44 -4.255 -6.162 7.815 322 H CYS 45 H CYS 45 -5.419 -4.453 4.460 323 HA CYS 45 HA CYS 45 -2.641 -3.393 4.821 324 HB2 CYS 45 2HB CYS 45 -3.329 -1.792 2.931 325 HB3 CYS 45 1HB CYS 45 -3.013 -3.459 2.478 326 H ALA 46 H ALA 46 -2.825 -0.866 4.946 327 HA ALA 46 HA ALA 46 -3.494 0.917 6.363 328 HB1 ALA 46 1HB ALA 46 -5.361 1.639 5.309 329 HB2 ALA 46 2HB ALA 46 -6.325 0.442 6.176 330 HB3 ALA 46 3HB ALA 46 -5.580 0.025 4.632 331 H GLY 47 H GLY 47 -2.947 -1.587 7.694 332 HA2 GLY 47 2HA GLY 47 -3.169 -2.419 9.887 333 HA3 GLY 47 1HA GLY 47 -4.319 -1.118 10.209 334 H ASN 48 H ASN 48 -5.789 -2.606 11.248 335 HA ASN 48 HA ASN 48 -6.867 -4.841 9.684 336 HB2 ASN 48 2HB ASN 48 -7.247 -3.680 12.440 337 HB3 ASN 48 1HB ASN 48 -8.321 -4.943 11.837 338 HD21 ASN 48 1HD2 ASN 48 -6.568 -5.422 14.056 339 HD22 ASN 48 2HD2 ASN 48 -5.393 -6.549 13.575 340 H ARG 49 H ARG 49 -7.250 -1.887 8.917 341 HA ARG 49 HA ARG 49 -10.217 -1.699 9.106 342 HB2 ARG 49 2HB ARG 49 -7.984 0.246 8.472 343 HB3 ARG 49 1HB ARG 49 -9.691 0.672 8.395 344 HG2 ARG 49 2HG ARG 49 -9.743 -0.338 10.833 345 HG3 ARG 49 1HG ARG 49 -8.014 0.010 10.789 346 HD2 ARG 49 2HD ARG 49 -9.524 2.260 9.740 347 HD3 ARG 49 1HD ARG 49 -10.055 1.848 11.383 348 HE ARG 49 HE ARG 49 -7.140 2.095 10.763 349 HH11 ARG 49 1HH2 ARG 49 -9.047 4.509 11.456 350 HH12 ARG 49 2HH2 ARG 49 -8.616 4.736 13.118 351 HH21 ARG 49 1HH1 ARG 49 -6.973 1.694 13.384 352 HH22 ARG 49 2HH1 ARG 49 -7.441 3.143 14.210 353 H GLY 50 H GLY 50 -7.544 -1.984 6.806 354 HA2 GLY 50 2HA GLY 50 -9.590 -2.070 4.620 355 HA3 GLY 50 1HA GLY 50 -7.984 -1.385 4.379 356 H TRP 51 H TRP 51 -8.888 -3.450 2.749 357 HA TRP 51 HA TRP 51 -6.999 -5.640 3.497 358 HB2 TRP 51 2HB TRP 51 -9.934 -5.674 3.245 359 HB3 TRP 51 1HB TRP 51 -9.128 -6.943 2.329 360 HD1 TRP 51 HD TRP 51 -10.349 -6.173 5.692 361 HE1 TRP 51 1HE TRP 51 -9.419 -7.847 7.418 362 HE3 TRP 51 3HE TRP 51 -6.673 -8.359 2.906 363 HZ2 TRP 51 2HZ TRP 51 -7.385 -9.849 7.593 364 HZ3 TRP 51 3HZ TRP 51 -5.256 -10.144 3.875 365 HH2 TRP 51 HH TRP 51 -5.607 -10.893 6.212 366 H CYS 52 H CYS 52 -6.775 -7.144 1.439 367 HA CYS 52 HA CYS 52 -6.637 -5.346 -0.952 368 HB2 CYS 52 2HB CYS 52 -4.602 -6.483 0.217 369 HB3 CYS 52 1HB CYS 52 -5.181 -7.956 -0.563 370 H ARG 53 H ARG 53 -8.332 -5.735 -2.313 371 HA ARG 53 HA ARG 53 -9.040 -8.584 -2.925 372 HB2 ARG 53 2HB ARG 53 -10.930 -6.222 -2.643 373 HB3 ARG 53 1HB ARG 53 -11.387 -7.897 -2.908 374 HG2 ARG 53 2HG ARG 53 -11.326 -8.322 -0.706 375 HG3 ARG 53 1HG ARG 53 -9.677 -7.706 -0.594 376 HD2 ARG 53 2HD ARG 53 -10.511 -5.409 -0.420 377 HD3 ARG 53 1HD ARG 53 -12.180 -5.986 -0.593 378 HE ARG 53 HE ARG 53 -10.755 -7.371 1.532 379 HH11 ARG 53 1HH2 ARG 53 -12.334 -4.423 0.686 380 HH12 ARG 53 2HH2 ARG 53 -12.961 -4.150 2.277 381 HH21 ARG 53 1HH1 ARG 53 -11.651 -7.078 3.589 382 HH22 ARG 53 2HH1 ARG 53 -12.575 -5.652 3.919 383 H SER 54 H SER 54 -9.450 -8.946 -5.157 384 HA SER 54 HA SER 54 -8.290 -7.367 -7.141 385 HB2 SER 54 2HB SER 54 -9.256 -8.932 -8.520 386 HB3 SER 54 1HB SER 54 -9.700 -9.704 -7.001 387 HG SER 54 HG SER 54 -11.343 -8.966 -8.804 388 H LYS 55 H LYS 55 -11.550 -7.171 -5.790 389 HA LYS 55 HA LYS 55 -11.827 -4.431 -6.935 390 HB2 LYS 55 2HB LYS 55 -13.302 -5.416 -8.367 391 HB3 LYS 55 1HB LYS 55 -13.326 -6.909 -7.439 392 HG2 LYS 55 2HG LYS 55 -14.864 -5.815 -5.804 393 HG3 LYS 55 1HG LYS 55 -14.923 -4.398 -6.855 394 HD2 LYS 55 2HD LYS 55 -15.949 -5.639 -8.626 395 HD3 LYS 55 1HD LYS 55 -15.625 -7.177 -7.826 396 HE2 LYS 55 2HE LYS 55 -17.071 -6.067 -5.874 397 HE3 LYS 55 1HE LYS 55 -17.746 -5.150 -7.236 398 HZ1 LYS 55 3HZ LYS 55 -18.996 -7.100 -7.220 399 HZ2 LYS 55 1HZ LYS 55 -17.661 -8.079 -6.851 400 HZ3 LYS 55 2HZ LYS 55 -17.816 -7.408 -8.404 401 H CYS 56 H CYS 56 -13.727 -3.295 -5.699 402 HA CYS 56 HA CYS 56 -13.694 -4.201 -2.835 403 HB2 CYS 56 2HB CYS 56 -14.017 -1.359 -3.815 404 HB3 CYS 56 1HB CYS 56 -13.542 -1.905 -2.211 405 H PHE 57 H PHE 57 -15.663 -3.043 -1.645 406 HA PHE 57 HA PHE 57 -18.090 -3.844 -3.129 407 HB2 PHE 57 2HB PHE 57 -17.231 -3.322 -0.333 408 HB3 PHE 57 1HB PHE 57 -18.928 -3.012 -0.690 409 HD1 PHE 57 1HD PHE 57 -19.882 -4.940 -2.449 410 HD2 PHE 57 2HD PHE 57 -16.837 -5.445 0.539 411 HE1 PHE 57 1HE PHE 57 -20.348 -7.374 -2.386 412 HE2 PHE 57 2HE PHE 57 -17.304 -7.881 0.603 413 HZ PHE 57 HZ PHE 57 -19.059 -8.846 -0.860 414 H ARG 58 H ARG 58 -20.016 -2.183 -2.176 415 HA ARG 58 HA ARG 58 -19.526 0.288 -3.656 416 HB2 ARG 58 2HB ARG 58 -21.634 -1.316 -3.453 417 HB3 ARG 58 1HB ARG 58 -21.999 -0.284 -2.069 418 HG2 ARG 58 2HG ARG 58 -21.622 1.701 -3.654 419 HG3 ARG 58 1HG ARG 58 -21.695 0.521 -4.964 420 HD2 ARG 58 2HD ARG 58 -23.955 0.211 -4.726 421 HD3 ARG 58 1HD ARG 58 -23.883 0.346 -2.957 422 HE ARG 58 HE ARG 58 -23.538 2.839 -3.336 423 HH11 ARG 58 1HH1 ARG 58 -26.357 1.879 -4.026 424 HH12 ARG 58 2HH1 ARG 58 -26.621 2.689 -5.534 425 HH21 ARG 58 1HH2 ARG 58 -23.271 3.436 -6.023 426 HH22 ARG 58 2HH2 ARG 58 -24.874 3.570 -6.665 427 H HIS 59 H HIS 59 -20.259 -0.644 -0.303 428 HA HIS 59 HA HIS 59 -20.251 2.069 0.720 429 HB2 HIS 59 2HB HIS 59 -21.314 -0.075 1.664 430 HB3 HIS 59 1HB HIS 59 -19.696 -0.500 2.222 431 HD1 HIS 59 1HD HIS 59 -19.258 0.237 4.553 432 HD2 HIS 59 2HD HIS 59 -21.926 2.796 2.627 433 HE1 HIS 59 1HE HIS 59 -19.896 2.011 6.243 434 H GLU 60 H GLU 60 -17.769 0.220 -0.538 435 HA GLU 60 HA GLU 60 -15.734 1.597 1.181 436 HB2 GLU 60 2HB GLU 60 -16.032 -1.204 0.145 437 HB3 GLU 60 1HB GLU 60 -14.411 -0.559 0.392 438 HG2 GLU 60 2HG GLU 60 -14.804 -0.184 2.715 439 HG3 GLU 60 1HG GLU 60 -16.542 -0.423 2.530 440 H TYR 61 H TYR 61 -13.507 1.452 -0.158 441 HA TYR 61 HA TYR 61 -14.028 1.962 -3.055 442 HB2 TYR 61 2HB TYR 61 -12.736 4.043 -2.894 443 HB3 TYR 61 1HB TYR 61 -14.089 4.095 -1.768 444 HD1 TYR 61 1HD TYR 61 -13.565 3.127 0.651 445 HD2 TYR 61 2HD TYR 61 -10.606 4.581 -2.103 446 HE1 TYR 61 1HE TYR 61 -11.992 3.484 2.533 447 HE2 TYR 61 2HE TYR 61 -9.033 4.939 -0.218 448 HH TYR 61 HH TYR 61 -9.262 5.355 2.312 449 H VAL 62 H VAL 62 -11.434 2.763 -3.702 450 HA VAL 62 HA VAL 62 -9.873 0.286 -3.054 451 HB VAL 62 HB VAL 62 -9.996 2.157 -5.433 452 HG11 VAL 62 1HG1 VAL 62 -8.303 0.418 -6.375 453 HG12 VAL 62 2HG1 VAL 62 -7.961 0.063 -4.681 454 HG13 VAL 62 3HG1 VAL 62 -7.690 1.687 -5.314 455 HG21 VAL 62 3HG2 VAL 62 -10.934 0.340 -6.576 456 HG22 VAL 62 1HG2 VAL 62 -11.636 0.162 -4.969 457 HG23 VAL 62 2HG2 VAL 62 -10.265 -0.840 -5.448 458 H ASP 63 H ASP 63 -8.921 1.250 -1.117 459 HA ASP 63 HA ASP 63 -7.732 3.689 -0.684 460 HB2 ASP 63 2HB ASP 63 -7.787 1.480 0.689 461 HB3 ASP 63 1HB ASP 63 -6.251 1.124 -0.103 462 H THR 64 H THR 64 -6.929 4.625 -2.645 463 HA THR 64 HA THR 64 -5.099 3.455 -4.467 464 HB THR 64 HB THR 64 -4.505 5.974 -4.774 465 HG1 THR 64 1HG THR 64 -5.669 7.365 -3.592 466 HG21 THR 64 3HG2 THR 64 -6.446 6.270 -6.057 467 HG22 THR 64 1HG2 THR 64 -7.455 5.403 -4.899 468 HG23 THR 64 2HG2 THR 64 -6.331 4.515 -5.928 469 H TYR 65 H TYR 65 -4.534 5.088 -1.376 470 HA TYR 65 HA TYR 65 -1.699 5.387 -1.571 471 HB2 TYR 65 2HB TYR 65 -3.522 6.264 0.099 472 HB3 TYR 65 1HB TYR 65 -3.166 4.782 0.984 473 HD1 TYR 65 1HD TYR 65 -1.272 7.500 -0.793 474 HD2 TYR 65 2HD TYR 65 -1.539 4.926 2.634 475 HE1 TYR 65 1HE TYR 65 0.764 8.550 0.154 476 HE2 TYR 65 2HE TYR 65 0.498 5.974 3.582 477 HH TYR 65 HH TYR 65 1.655 8.782 2.790 478 H TYR 66 H TYR 66 -3.665 2.752 -0.144 479 HA TYR 66 HA TYR 66 -1.248 1.159 0.391 480 HB2 TYR 66 2HB TYR 66 -4.188 1.017 0.922 481 HB3 TYR 66 1HB TYR 66 -3.244 -0.471 1.032 482 HD1 TYR 66 2HD TYR 66 -1.310 -0.618 2.596 483 HD2 TYR 66 1HD TYR 66 -3.943 2.774 2.549 484 HE1 TYR 66 2HE TYR 66 -0.447 0.080 4.812 485 HE2 TYR 66 1HE TYR 66 -3.080 3.473 4.765 486 HH TYR 66 HH TYR 66 -1.561 1.597 6.823 487 H SER 67 H SER 67 -3.225 1.644 -2.314 488 HA SER 67 HA SER 67 -3.609 -0.893 -3.460 489 HB2 SER 67 2HB SER 67 -2.815 1.810 -4.562 490 HB3 SER 67 1HB SER 67 -3.129 0.444 -5.627 491 HG SER 67 HG SER 67 -5.204 0.323 -4.807 492 H ALA 68 H ALA 68 -0.654 0.815 -2.777 493 HA ALA 68 HA ALA 68 1.109 -0.514 -4.616 494 HB1 ALA 68 1HB ALA 68 2.450 1.048 -3.698 495 HB2 ALA 68 2HB ALA 68 2.366 0.236 -2.135 496 HB3 ALA 68 3HB ALA 68 1.160 1.447 -2.566 497 H VAL 69 H VAL 69 1.137 -0.964 -1.052 498 HA VAL 69 HA VAL 69 2.520 -3.364 -0.944 499 HB VAL 69 HB VAL 69 1.604 -1.918 0.939 500 HG11 VAL 69 1HG1 VAL 69 -0.880 -3.421 0.182 501 HG12 VAL 69 2HG1 VAL 69 -0.688 -1.706 0.536 502 HG13 VAL 69 3HG1 VAL 69 -0.623 -2.888 1.842 503 HG21 VAL 69 3HG2 VAL 69 2.492 -3.648 2.067 504 HG22 VAL 69 1HG2 VAL 69 1.968 -4.791 0.834 505 HG23 VAL 69 2HG2 VAL 69 0.866 -4.330 2.130 506 H CYS 70 H CYS 70 -0.813 -2.865 -1.931 507 HA CYS 70 HA CYS 70 -1.762 -5.549 -1.808 508 HB2 CYS 70 2HB CYS 70 -2.456 -2.970 -2.977 509 HB3 CYS 70 1HB CYS 70 -2.931 -4.306 -4.027 510 H GLY 71 H GLY 71 -0.755 -3.833 -4.793 511 HA2 GLY 71 2HA GLY 71 0.900 -4.740 -6.347 512 HA3 GLY 71 1HA GLY 71 0.570 -6.347 -5.697 513 H ARG 72 H ARG 72 -0.693 -7.606 -6.975 514 HA ARG 72 HA ARG 72 -1.895 -6.700 -9.402 515 HB2 ARG 72 2HB ARG 72 -1.215 -9.068 -8.385 516 HB3 ARG 72 1HB ARG 72 -2.915 -9.094 -7.918 517 HG2 ARG 72 2HG ARG 72 -3.618 -8.774 -10.212 518 HG3 ARG 72 1HG ARG 72 -1.951 -8.531 -10.735 519 HD2 ARG 72 2HD ARG 72 -2.768 -11.091 -9.352 520 HD3 ARG 72 1HD ARG 72 -2.969 -10.888 -11.104 521 HE ARG 72 HE ARG 72 -0.405 -10.026 -10.744 522 HH11 ARG 72 1HH1 ARG 72 -0.264 -11.611 -8.216 523 HH12 ARG 72 2HH1 ARG 72 0.303 -13.149 -8.777 524 HH21 ARG 72 1HH2 ARG 72 -0.476 -12.522 -12.098 525 HH22 ARG 72 2HH2 ARG 72 0.183 -13.664 -10.976 526 H TYR 73 H TYR 73 -3.401 -7.558 -6.265 527 HA TYR 73 HA TYR 73 -6.037 -6.608 -7.116 528 HB2 TYR 73 2HB TYR 73 -4.881 -7.375 -4.413 529 HB3 TYR 73 1HB TYR 73 -6.596 -7.171 -4.764 530 HD1 TYR 73 1HD TYR 73 -6.489 -8.369 -7.598 531 HD2 TYR 73 2HD TYR 73 -4.949 -9.703 -3.817 532 HE1 TYR 73 1HE TYR 73 -6.616 -10.719 -8.373 533 HE2 TYR 73 2HE TYR 73 -5.074 -12.052 -4.590 534 HH TYR 73 HH TYR 73 -5.877 -12.847 -7.924 535 H PHE 74 H PHE 74 -7.084 -5.083 -5.270 536 HA PHE 74 HA PHE 74 -5.241 -2.738 -4.926 537 HB2 PHE 74 2HB PHE 74 -8.244 -2.598 -5.226 538 HB3 PHE 74 1HB PHE 74 -7.054 -1.334 -5.531 539 HD1 PHE 74 2HD PHE 74 -8.269 -4.641 -6.745 540 HD2 PHE 74 1HD PHE 74 -6.085 -1.062 -7.677 541 HE1 PHE 74 2HE PHE 74 -8.162 -5.329 -9.126 542 HE2 PHE 74 1HE PHE 74 -5.977 -1.749 -10.058 543 HZ PHE 74 HZ PHE 74 -7.015 -3.883 -10.783 544 H CYS 75 H CYS 75 -5.291 -1.772 -2.864 545 HA CYS 75 HA CYS 75 -6.463 -3.361 -0.702 546 HB2 CYS 75 2HB CYS 75 -4.311 -2.368 -0.355 547 HB3 CYS 75 1HB CYS 75 -4.873 -0.794 -0.918 548 H CYS 76 H CYS 76 -8.736 -3.181 -0.728 549 HA CYS 76 HA CYS 76 -10.046 -0.610 -1.195 550 HB2 CYS 76 2HB CYS 76 -11.140 -3.200 -0.069 551 HB3 CYS 76 1HB CYS 76 -12.055 -1.931 -0.875 552 H ARG 77 H ARG 77 -11.574 0.278 0.490 553 HA ARG 77 HA ARG 77 -10.932 -0.328 3.309 554 HB2 ARG 77 2HB ARG 77 -9.821 1.909 1.722 555 HB3 ARG 77 1HB ARG 77 -10.481 2.374 3.290 556 HG2 ARG 77 2HG ARG 77 -9.077 0.072 3.890 557 HG3 ARG 77 1HG ARG 77 -8.061 0.836 2.668 558 HD2 ARG 77 2HD ARG 77 -7.472 1.625 4.954 559 HD3 ARG 77 1HD ARG 77 -8.107 2.955 3.967 560 HE ARG 77 HE ARG 77 -10.352 1.800 5.172 561 HH11 ARG 77 1HH2 ARG 77 -7.403 3.331 6.115 562 HH12 ARG 77 2HH2 ARG 77 -8.032 3.905 7.622 563 HH21 ARG 77 1HH1 ARG 77 -11.169 2.508 7.155 564 HH22 ARG 77 2HH1 ARG 77 -10.162 3.440 8.210 565 H SER 78 H SER 78 -12.160 1.405 4.721 566 HA SER 78 HA SER 78 -14.863 1.774 3.492 567 HB2 SER 78 2HB SER 78 -14.093 0.464 5.740 568 HB3 SER 78 1HB SER 78 -14.394 2.062 6.414 569 HG SER 78 HG SER 78 -16.466 1.977 5.419 570 H ARG 79 H ARG 79 -14.608 3.849 2.538 571 HA ARG 79 HA ARG 79 -13.459 6.070 4.094 572 HB2 ARG 79 2HB ARG 79 -13.579 5.431 1.462 573 HB3 ARG 79 1HB ARG 79 -14.973 6.507 1.570 574 HG2 ARG 79 2HG ARG 79 -13.277 8.029 2.925 575 HG3 ARG 79 1HG ARG 79 -12.075 7.111 2.018 576 HD2 ARG 79 2HD ARG 79 -14.122 7.837 0.172 577 HD3 ARG 79 1HD ARG 79 -13.688 9.295 1.087 578 HE ARG 79 HE ARG 79 -11.896 7.784 -0.682 579 HH11 ARG 79 1HH2 ARG 79 -10.397 7.992 1.862 580 HH12 ARG 79 2HH2 ARG 79 -9.627 9.538 1.728 581 HH21 ARG 79 1HH1 ARG 79 -11.697 10.641 -0.826 582 HH22 ARG 79 2HH1 ARG 79 -10.363 11.039 0.206 Start of MODEL 12 1 H1 ASN 1 1HT ASN 1 14.985 8.473 -12.402 2 H2 ASN 1 2HT ASN 1 13.891 9.451 -11.546 3 H3 ASN 1 3HT ASN 1 13.453 7.872 -11.997 4 HA ASN 1 HA ASN 1 15.426 7.114 -10.570 5 HB2 ASN 1 2HB ASN 1 16.120 9.624 -10.605 6 HB3 ASN 1 1HB ASN 1 14.919 9.816 -9.327 7 HD21 ASN 1 1HD2 ASN 1 17.548 7.451 -10.106 8 HD22 ASN 1 2HD2 ASN 1 18.150 7.385 -8.520 9 HA PRO 2 HA PRO 2 11.185 6.690 -8.763 10 HB2 PRO 2 2HB PRO 2 11.065 3.969 -9.025 11 HB3 PRO 2 1HB PRO 2 10.579 5.084 -10.317 12 HG2 PRO 2 2HG PRO 2 13.102 3.541 -9.999 13 HG3 PRO 2 1HG PRO 2 12.174 3.900 -11.464 14 HD2 PRO 2 2HD PRO 2 14.453 5.227 -10.746 15 HD3 PRO 2 1HD PRO 2 13.171 5.938 -11.749 16 H LEU 3 H LEU 3 11.367 6.808 -6.550 17 HA LEU 3 HA LEU 3 13.385 5.085 -5.176 18 HB2 LEU 3 2HB LEU 3 12.270 7.779 -4.884 19 HB3 LEU 3 1HB LEU 3 12.312 6.894 -3.359 20 HG LEU 3 HG LEU 3 14.758 6.481 -4.867 21 HD11 LEU 3 1HD1 LEU 3 13.748 9.277 -4.482 22 HD12 LEU 3 2HD1 LEU 3 14.705 8.607 -5.804 23 HD13 LEU 3 3HD1 LEU 3 15.468 8.960 -4.254 24 HD21 LEU 3 3HD2 LEU 3 15.760 7.010 -2.748 25 HD22 LEU 3 1HD2 LEU 3 14.275 6.128 -2.390 26 HD23 LEU 3 2HD2 LEU 3 14.323 7.883 -2.216 27 H ILE 4 H ILE 4 12.445 4.710 -2.728 28 HA ILE 4 HA ILE 4 10.231 2.851 -3.056 29 HB ILE 4 HB ILE 4 12.064 3.816 -0.893 30 HG12 ILE 4 2HG1 ILE 4 11.243 1.147 -2.066 31 HG13 ILE 4 1HG1 ILE 4 12.807 1.951 -2.206 32 HG21 ILE 4 1HG2 ILE 4 10.821 2.522 0.808 33 HG22 ILE 4 2HG2 ILE 4 9.548 2.195 -0.368 34 HG23 ILE 4 3HG2 ILE 4 9.833 3.845 0.186 35 HD11 ILE 4 3HD1 ILE 4 13.138 0.305 -0.532 36 HD12 ILE 4 1HD1 ILE 4 11.586 0.653 0.231 37 HD13 ILE 4 2HD1 ILE 4 12.914 1.807 0.364 38 HA PRO 5 HA PRO 5 7.028 5.717 -2.065 39 HB2 PRO 5 2HB PRO 5 5.042 3.903 -1.610 40 HB3 PRO 5 1HB PRO 5 5.627 4.297 -3.233 41 HG2 PRO 5 2HG PRO 5 6.154 1.914 -1.564 42 HG3 PRO 5 1HG PRO 5 6.065 2.066 -3.324 43 HD2 PRO 5 2HD PRO 5 8.406 1.900 -1.824 44 HD3 PRO 5 1HD PRO 5 8.287 2.461 -3.505 45 H ALA 6 H ALA 6 5.558 6.163 -0.191 46 HA ALA 6 HA ALA 6 6.878 5.620 2.344 47 HB1 ALA 6 1HB ALA 6 5.994 7.809 1.936 48 HB2 ALA 6 2HB ALA 6 4.935 7.080 3.144 49 HB3 ALA 6 3HB ALA 6 4.429 7.154 1.456 50 H ILE 7 H ILE 7 3.858 4.660 0.756 51 HA ILE 7 HA ILE 7 2.456 3.431 2.843 52 HB ILE 7 HB ILE 7 1.544 3.642 0.630 53 HG12 ILE 7 2HG1 ILE 7 2.024 0.801 1.534 54 HG13 ILE 7 1HG1 ILE 7 0.557 1.767 1.673 55 HG21 ILE 7 1HG2 ILE 7 3.286 1.572 -0.592 56 HG22 ILE 7 2HG2 ILE 7 4.052 3.127 -0.279 57 HG23 ILE 7 3HG2 ILE 7 2.620 3.042 -1.301 58 HD11 ILE 7 3HD1 ILE 7 0.502 1.770 -0.888 59 HD12 ILE 7 1HD1 ILE 7 0.138 0.237 -0.096 60 HD13 ILE 7 2HD1 ILE 7 1.728 0.506 -0.807 61 H TYR 8 H TYR 8 4.972 1.943 0.796 62 HA TYR 8 HA TYR 8 4.982 -0.654 1.815 63 HB2 TYR 8 2HB TYR 8 7.101 1.221 0.775 64 HB3 TYR 8 1HB TYR 8 7.517 -0.425 1.248 65 HD1 TYR 8 1HD TYR 8 4.126 -0.221 0.168 66 HD2 TYR 8 2HD TYR 8 8.155 -0.483 -1.300 67 HE1 TYR 8 1HE TYR 8 3.280 -1.062 -2.000 68 HE2 TYR 8 2HE TYR 8 7.304 -1.326 -3.472 69 HH TYR 8 HH TYR 8 5.362 -2.405 -4.390 70 H ILE 9 H ILE 9 6.404 2.269 3.232 71 HA ILE 9 HA ILE 9 7.816 0.893 5.352 72 HB ILE 9 HB ILE 9 6.779 3.725 4.987 73 HG12 ILE 9 2HG1 ILE 9 9.517 2.455 4.659 74 HG13 ILE 9 1HG1 ILE 9 8.481 3.047 3.360 75 HG21 ILE 9 1HG2 ILE 9 7.153 3.870 7.231 76 HG22 ILE 9 2HG2 ILE 9 8.851 3.915 6.756 77 HG23 ILE 9 3HG2 ILE 9 8.117 2.394 7.264 78 HD11 ILE 9 3HD1 ILE 9 8.565 5.289 4.795 79 HD12 ILE 9 1HD1 ILE 9 9.841 4.897 3.644 80 HD13 ILE 9 2HD1 ILE 9 10.081 4.588 5.363 81 H GLY 10 H GLY 10 6.766 -0.272 6.878 82 HA2 GLY 10 2HA GLY 10 5.264 -0.695 8.658 83 HA3 GLY 10 1HA GLY 10 4.564 0.908 8.395 84 H ALA 11 H ALA 11 5.000 -1.349 5.773 85 HA ALA 11 HA ALA 11 2.004 -1.625 5.602 86 HB1 ALA 11 1HB ALA 11 2.980 -2.106 3.090 87 HB2 ALA 11 2HB ALA 11 4.185 -0.979 3.713 88 HB3 ALA 11 3HB ALA 11 2.485 -0.515 3.666 89 H THR 12 H THR 12 1.940 -3.603 3.612 90 HA THR 12 HA THR 12 3.554 -5.901 4.580 91 HB THR 12 HB THR 12 0.573 -5.546 4.932 92 HG1 THR 12 1HG THR 12 1.136 -6.256 7.027 93 HG21 THR 12 3HG2 THR 12 0.721 -7.677 3.871 94 HG22 THR 12 1HG2 THR 12 0.616 -8.008 5.601 95 HG23 THR 12 2HG2 THR 12 2.173 -8.105 4.776 96 H VAL 13 H VAL 13 4.319 -6.061 2.377 97 HA VAL 13 HA VAL 13 2.289 -6.389 0.231 98 HB VAL 13 HB VAL 13 4.195 -6.165 -1.225 99 HG11 VAL 13 1HG1 VAL 13 4.378 -4.439 1.249 100 HG12 VAL 13 2HG1 VAL 13 3.677 -4.035 -0.316 101 HG13 VAL 13 3HG1 VAL 13 5.424 -4.179 -0.145 102 HG21 VAL 13 3HG2 VAL 13 5.625 -7.198 1.161 103 HG22 VAL 13 1HG2 VAL 13 6.498 -6.002 0.203 104 HG23 VAL 13 2HG2 VAL 13 5.932 -7.493 -0.550 105 H GLY 14 H GLY 14 2.707 -8.283 -1.312 106 HA2 GLY 14 2HA GLY 14 2.775 -10.761 0.237 107 HA3 GLY 14 1HA GLY 14 2.499 -10.632 -1.501 108 HA PRO 15 HA PRO 15 6.735 -12.264 -1.033 109 HB2 PRO 15 2HB PRO 15 6.503 -14.129 -3.017 110 HB3 PRO 15 1HB PRO 15 5.980 -14.429 -1.348 111 HG2 PRO 15 2HG PRO 15 4.362 -13.783 -3.749 112 HG3 PRO 15 1HG PRO 15 3.978 -14.825 -2.371 113 HD2 PRO 15 2HD PRO 15 3.024 -12.257 -2.727 114 HD3 PRO 15 1HD PRO 15 3.104 -13.106 -1.167 115 H SER 16 H SER 16 5.144 -12.154 -4.249 116 HA SER 16 HA SER 16 7.379 -11.446 -5.799 117 HB2 SER 16 2HB SER 16 5.328 -12.076 -6.835 118 HB3 SER 16 1HB SER 16 4.423 -10.837 -5.970 119 HG SER 16 HG SER 16 5.549 -9.275 -7.172 120 H VAL 17 H VAL 17 4.994 -9.211 -4.305 121 HA VAL 17 HA VAL 17 6.247 -6.788 -5.114 122 HB VAL 17 HB VAL 17 4.700 -7.370 -2.569 123 HG11 VAL 17 1HG1 VAL 17 5.626 -5.126 -2.610 124 HG12 VAL 17 2HG1 VAL 17 3.899 -5.018 -2.956 125 HG13 VAL 17 3HG1 VAL 17 5.071 -4.885 -4.267 126 HG21 VAL 17 3HG2 VAL 17 3.250 -8.226 -4.163 127 HG22 VAL 17 1HG2 VAL 17 3.891 -7.201 -5.446 128 HG23 VAL 17 2HG2 VAL 17 2.803 -6.521 -4.236 129 H TRP 18 H TRP 18 6.631 -8.662 -2.081 130 HA TRP 18 HA TRP 18 8.417 -7.007 -0.701 131 HB2 TRP 18 2HB TRP 18 7.382 -9.255 -0.060 132 HB3 TRP 18 1HB TRP 18 8.684 -10.012 -0.977 133 HD1 TRP 18 HD TRP 18 8.687 -7.050 1.501 134 HE1 TRP 18 1HE TRP 18 10.516 -7.479 3.269 135 HE3 TRP 18 3HE TRP 18 10.356 -11.613 -0.056 136 HZ2 TRP 18 2HZ TRP 18 12.438 -9.493 3.931 137 HZ3 TRP 18 3HZ TRP 18 12.185 -12.765 1.156 138 HH2 TRP 18 HH TRP 18 13.228 -11.712 3.145 139 H ALA 19 H ALA 19 9.477 -9.769 -2.697 140 HA ALA 19 HA ALA 19 12.181 -9.302 -2.901 141 HB1 ALA 19 1HB ALA 19 12.068 -10.689 -4.779 142 HB2 ALA 19 2HB ALA 19 10.605 -9.912 -5.382 143 HB3 ALA 19 3HB ALA 19 10.515 -11.018 -4.011 144 H TYR 20 H TYR 20 9.652 -7.658 -4.801 145 HA TYR 20 HA TYR 20 11.344 -6.128 -6.506 146 HB2 TYR 20 2HB TYR 20 8.878 -6.418 -6.696 147 HB3 TYR 20 1HB TYR 20 8.666 -5.421 -5.259 148 HD1 TYR 20 2HD TYR 20 9.440 -3.022 -5.285 149 HD2 TYR 20 1HD TYR 20 9.275 -5.433 -8.836 150 HE1 TYR 20 2HE TYR 20 9.536 -0.974 -6.679 151 HE2 TYR 20 1HE TYR 20 9.371 -3.385 -10.231 152 HH TYR 20 HH TYR 20 10.082 -0.273 -8.876 153 H LEU 21 H LEU 21 9.665 -4.956 -3.570 154 HA LEU 21 HA LEU 21 10.877 -2.497 -3.213 155 HB2 LEU 21 2HB LEU 21 9.141 -3.877 -1.829 156 HB3 LEU 21 1HB LEU 21 10.549 -4.438 -0.929 157 HG LEU 21 HG LEU 21 9.685 -1.557 -1.313 158 HD11 LEU 21 1HD1 LEU 21 8.698 -3.357 0.459 159 HD12 LEU 21 2HD1 LEU 21 8.859 -1.638 0.820 160 HD13 LEU 21 3HD1 LEU 21 10.093 -2.773 1.365 161 HD21 LEU 21 3HD2 LEU 21 11.991 -1.334 -1.234 162 HD22 LEU 21 1HD2 LEU 21 12.209 -2.824 -0.316 163 HD23 LEU 21 2HD2 LEU 21 11.631 -1.367 0.492 164 H VAL 22 H VAL 22 12.156 -5.597 -1.927 165 HA VAL 22 HA VAL 22 14.564 -4.652 -0.824 166 HB VAL 22 HB VAL 22 13.779 -7.209 -2.239 167 HG11 VAL 22 1HG1 VAL 22 16.299 -6.672 -0.636 168 HG12 VAL 22 2HG1 VAL 22 16.238 -6.906 -2.383 169 HG13 VAL 22 3HG1 VAL 22 15.806 -8.230 -1.301 170 HG21 VAL 22 3HG2 VAL 22 14.422 -6.974 0.671 171 HG22 VAL 22 1HG2 VAL 22 13.226 -7.990 -0.133 172 HG23 VAL 22 2HG2 VAL 22 12.904 -6.272 0.109 173 H ALA 23 H ALA 23 13.870 -5.600 -4.181 174 HA ALA 23 HA ALA 23 16.420 -5.392 -5.330 175 HB1 ALA 23 1HB ALA 23 14.006 -4.210 -6.675 176 HB2 ALA 23 2HB ALA 23 13.990 -5.920 -6.244 177 HB3 ALA 23 3HB ALA 23 15.224 -5.298 -7.339 178 H LEU 24 H LEU 24 14.046 -2.792 -4.716 179 HA LEU 24 HA LEU 24 15.718 -0.667 -5.723 180 HB2 LEU 24 2HB LEU 24 13.104 -1.034 -5.087 181 HB3 LEU 24 1HB LEU 24 13.649 -0.158 -3.661 182 HG LEU 24 HG LEU 24 14.681 1.551 -5.220 183 HD11 LEU 24 1HD1 LEU 24 13.407 -0.318 -7.172 184 HD12 LEU 24 2HD1 LEU 24 14.896 0.617 -7.320 185 HD13 LEU 24 3HD1 LEU 24 13.333 1.408 -7.528 186 HD21 LEU 24 3HD2 LEU 24 12.392 2.498 -5.890 187 HD22 LEU 24 1HD2 LEU 24 12.615 2.142 -4.177 188 HD23 LEU 24 2HD2 LEU 24 11.699 1.032 -5.196 189 H VAL 25 H VAL 25 15.343 -2.295 -2.649 190 HA VAL 25 HA VAL 25 17.398 -0.466 -1.442 191 HB VAL 25 HB VAL 25 16.127 -1.416 0.717 192 HG11 VAL 25 1HG1 VAL 25 14.693 0.595 0.650 193 HG12 VAL 25 2HG1 VAL 25 15.070 0.791 -1.062 194 HG13 VAL 25 3HG1 VAL 25 16.346 0.949 0.147 195 HG21 VAL 25 3HG2 VAL 25 13.852 -1.260 -1.258 196 HG22 VAL 25 1HG2 VAL 25 13.837 -1.896 0.387 197 HG23 VAL 25 2HG2 VAL 25 14.640 -2.794 -0.900 198 H GLY 26 H GLY 26 16.110 -3.312 0.111 199 HA2 GLY 26 2HA GLY 26 17.794 -5.368 -0.704 200 HA3 GLY 26 1HA GLY 26 18.741 -4.455 0.475 201 H ALA 27 H ALA 27 18.442 -6.682 1.612 202 HA ALA 27 HA ALA 27 15.833 -7.251 2.732 203 HB1 ALA 27 1HB ALA 27 17.262 -9.100 2.470 204 HB2 ALA 27 2HB ALA 27 17.402 -8.760 4.195 205 HB3 ALA 27 3HB ALA 27 18.659 -8.216 3.084 206 H ALA 28 H ALA 28 18.879 -6.044 4.153 207 HA ALA 28 HA ALA 28 17.872 -5.521 6.752 208 HB1 ALA 28 1HB ALA 28 20.270 -5.527 5.809 209 HB2 ALA 28 2HB ALA 28 19.901 -4.287 7.007 210 HB3 ALA 28 3HB ALA 28 19.946 -3.871 5.294 211 H ALA 29 H ALA 29 17.824 -3.549 3.803 212 HA ALA 29 HA ALA 29 16.818 -1.149 5.051 213 HB1 ALA 29 1HB ALA 29 17.821 -0.869 2.952 214 HB2 ALA 29 2HB ALA 29 16.108 -0.814 2.535 215 HB3 ALA 29 3HB ALA 29 17.030 -2.295 2.281 216 H VAL 30 H VAL 30 15.223 -3.739 3.176 217 HA VAL 30 HA VAL 30 12.553 -2.753 3.473 218 HB VAL 30 HB VAL 30 13.819 -5.450 2.967 219 HG11 VAL 30 1HG1 VAL 30 11.742 -6.025 4.003 220 HG12 VAL 30 2HG1 VAL 30 11.459 -6.130 2.265 221 HG13 VAL 30 3HG1 VAL 30 10.888 -4.727 3.168 222 HG21 VAL 30 3HG2 VAL 30 13.973 -4.471 0.930 223 HG22 VAL 30 1HG2 VAL 30 12.897 -3.154 1.397 224 HG23 VAL 30 2HG2 VAL 30 12.226 -4.682 0.827 225 H THR 31 H THR 31 14.663 -4.438 5.693 226 HA THR 31 HA THR 31 12.514 -5.434 7.415 227 HB THR 31 HB THR 31 15.460 -5.028 8.007 228 HG1 THR 31 1HG THR 31 14.127 -7.184 6.733 229 HG21 THR 31 3HG2 THR 31 14.550 -5.746 10.001 230 HG22 THR 31 1HG2 THR 31 14.808 -7.310 9.227 231 HG23 THR 31 2HG2 THR 31 13.206 -6.571 9.211 232 H ALA 32 H ALA 32 14.780 -2.676 7.459 233 HA ALA 32 HA ALA 32 13.833 -1.656 10.017 234 HB1 ALA 32 1HB ALA 32 15.864 -1.145 8.039 235 HB2 ALA 32 2HB ALA 32 15.803 -0.593 9.713 236 HB3 ALA 32 3HB ALA 32 15.054 0.370 8.439 237 H ALA 33 H ALA 33 12.695 -1.498 6.763 238 HA ALA 33 HA ALA 33 11.151 0.992 7.176 239 HB1 ALA 33 1HB ALA 33 10.568 -0.621 4.811 240 HB2 ALA 33 2HB ALA 33 12.300 -0.373 5.026 241 HB3 ALA 33 3HB ALA 33 11.219 1.015 4.909 242 H ASN 34 H ASN 34 10.668 -1.599 8.723 243 HA ASN 34 HA ASN 34 8.850 -2.995 9.327 244 HB2 ASN 34 2HB ASN 34 8.387 -0.581 10.030 245 HB3 ASN 34 1HB ASN 34 7.326 -0.477 8.627 246 HD21 ASN 34 1HD2 ASN 34 6.052 -0.156 11.034 247 HD22 ASN 34 2HD2 ASN 34 5.179 -1.549 11.456 248 H ILE 35 H ILE 35 9.331 -4.050 7.059 249 HA ILE 35 HA ILE 35 6.955 -3.745 5.260 250 HB ILE 35 HB ILE 35 9.624 -5.080 4.724 251 HG12 ILE 35 2HG1 ILE 35 9.833 -2.648 5.392 252 HG13 ILE 35 1HG1 ILE 35 10.382 -3.001 3.754 253 HG21 ILE 35 1HG2 ILE 35 8.647 -4.046 2.371 254 HG22 ILE 35 2HG2 ILE 35 7.166 -4.528 3.199 255 HG23 ILE 35 3HG2 ILE 35 8.434 -5.716 2.896 256 HD11 ILE 35 3HD1 ILE 35 8.733 -1.761 2.806 257 HD12 ILE 35 1HD1 ILE 35 8.580 -1.029 4.404 258 HD13 ILE 35 2HD1 ILE 35 7.516 -2.356 3.936 259 H ARG 36 H ARG 36 5.443 -5.293 5.787 260 HA ARG 36 HA ARG 36 6.351 -7.923 6.841 261 HB2 ARG 36 2HB ARG 36 3.901 -6.229 6.877 262 HB3 ARG 36 1HB ARG 36 3.654 -7.975 6.942 263 HG2 ARG 36 2HG ARG 36 5.735 -7.588 8.721 264 HG3 ARG 36 1HG ARG 36 4.724 -6.167 8.988 265 HD2 ARG 36 2HD ARG 36 2.756 -7.597 9.345 266 HD3 ARG 36 1HD ARG 36 3.734 -9.043 9.019 267 HE ARG 36 HE ARG 36 5.114 -7.604 11.003 268 HH11 ARG 36 1HH1 ARG 36 1.888 -7.505 11.319 269 HH12 ARG 36 2HH1 ARG 36 1.751 -8.601 12.653 270 HH21 ARG 36 1HH2 ARG 36 5.022 -9.725 12.408 271 HH22 ARG 36 2HH2 ARG 36 3.526 -9.858 13.269 272 H ARG 37 H ARG 37 6.062 -9.822 5.676 273 HA ARG 37 HA ARG 37 5.336 -9.558 2.822 274 HB2 ARG 37 2HB ARG 37 6.888 -11.315 4.581 275 HB3 ARG 37 1HB ARG 37 5.931 -12.213 3.402 276 HG2 ARG 37 2HG ARG 37 6.883 -10.882 1.577 277 HG3 ARG 37 1HG ARG 37 7.801 -9.920 2.735 278 HD2 ARG 37 2HD ARG 37 9.456 -11.461 2.729 279 HD3 ARG 37 1HD ARG 37 8.306 -12.724 3.212 280 HE ARG 37 HE ARG 37 8.461 -11.856 0.356 281 HH11 ARG 37 1HH1 ARG 37 10.546 -13.860 1.119 282 HH12 ARG 37 2HH1 ARG 37 9.747 -15.362 0.792 283 HH21 ARG 37 1HH2 ARG 37 6.579 -13.954 0.674 284 HH22 ARG 37 2HH2 ARG 37 7.501 -15.416 0.542 285 H ALA 38 H ALA 38 3.695 -10.945 1.856 286 HA ALA 38 HA ALA 38 1.707 -12.076 3.791 287 HB1 ALA 38 1HB ALA 38 1.514 -9.852 1.889 288 HB2 ALA 38 2HB ALA 38 0.447 -10.271 3.229 289 HB3 ALA 38 3HB ALA 38 0.241 -11.053 1.662 290 H SER 39 H SER 39 0.346 -13.764 2.814 291 HA SER 39 HA SER 39 1.615 -15.751 1.360 292 HB2 SER 39 2HB SER 39 -0.769 -15.481 2.496 293 HB3 SER 39 1HB SER 39 -1.282 -15.175 0.839 294 HG SER 39 HG SER 39 0.321 -17.392 1.575 295 H SER 40 H SER 40 -0.006 -12.885 0.082 296 HA SER 40 HA SER 40 1.397 -13.125 -2.468 297 HB2 SER 40 2HB SER 40 -0.936 -14.597 -2.142 298 HB3 SER 40 1HB SER 40 -1.489 -13.143 -2.964 299 HG SER 40 HG SER 40 -0.658 -13.982 -4.692 300 H ASP 41 H ASP 41 -0.487 -11.608 -3.971 301 HA ASP 41 HA ASP 41 0.067 -8.939 -2.988 302 HB2 ASP 41 2HB ASP 41 -1.502 -10.189 -5.240 303 HB3 ASP 41 1HB ASP 41 -1.554 -8.445 -4.976 304 H ASN 42 H ASN 42 -2.284 -11.193 -2.123 305 HA ASN 42 HA ASN 42 -4.331 -9.120 -1.480 306 HB2 ASN 42 2HB ASN 42 -4.520 -11.580 -2.617 307 HB3 ASN 42 1HB ASN 42 -4.769 -12.005 -0.923 308 HD21 ASN 42 1HD2 ASN 42 -6.796 -11.497 0.005 309 HD22 ASN 42 2HD2 ASN 42 -8.015 -10.634 -0.802 310 H HIS 43 H HIS 43 -3.644 -8.173 0.473 311 HA HIS 43 HA HIS 43 -3.515 -9.991 2.824 312 HB2 HIS 43 2HB HIS 43 -1.478 -8.466 3.505 313 HB3 HIS 43 1HB HIS 43 -1.222 -9.817 2.406 314 HD1 HIS 43 1HD HIS 43 -1.240 -6.078 2.546 315 HD2 HIS 43 2HD HIS 43 -0.773 -9.065 -0.320 316 HE1 HIS 43 1HE HIS 43 -0.253 -4.950 0.491 317 H SER 44 H SER 44 -3.101 -8.337 4.836 318 HA SER 44 HA SER 44 -5.393 -6.484 4.743 319 HB2 SER 44 2HB SER 44 -4.510 -6.259 7.226 320 HB3 SER 44 1HB SER 44 -5.310 -7.741 6.713 321 HG SER 44 HG SER 44 -2.516 -7.368 6.485 322 H CYS 45 H CYS 45 -5.144 -4.294 4.437 323 HA CYS 45 HA CYS 45 -2.385 -3.153 4.762 324 HB2 CYS 45 2HB CYS 45 -3.190 -1.599 2.885 325 HB3 CYS 45 1HB CYS 45 -2.883 -3.270 2.439 326 H ALA 46 H ALA 46 -2.632 -0.617 4.846 327 HA ALA 46 HA ALA 46 -3.289 1.175 6.260 328 HB1 ALA 46 1HB ALA 46 -5.321 0.328 4.547 329 HB2 ALA 46 2HB ALA 46 -5.288 1.856 5.426 330 HB3 ALA 46 3HB ALA 46 -6.123 0.462 6.111 331 H GLY 47 H GLY 47 -2.534 -1.121 7.715 332 HA2 GLY 47 2HA GLY 47 -2.689 -1.940 9.915 333 HA3 GLY 47 1HA GLY 47 -3.877 -0.670 10.227 334 H ASN 48 H ASN 48 -5.165 -2.271 11.408 335 HA ASN 48 HA ASN 48 -6.262 -4.537 9.908 336 HB2 ASN 48 2HB ASN 48 -7.317 -5.044 12.049 337 HB3 ASN 48 1HB ASN 48 -5.642 -4.576 12.340 338 HD21 ASN 48 1HD2 ASN 48 -5.655 -3.389 14.266 339 HD22 ASN 48 2HD2 ASN 48 -6.732 -2.125 14.614 340 H ARG 49 H ARG 49 -6.853 -1.831 8.875 341 HA ARG 49 HA ARG 49 -9.797 -1.695 9.381 342 HB2 ARG 49 2HB ARG 49 -7.637 0.307 8.770 343 HB3 ARG 49 1HB ARG 49 -9.323 0.692 8.435 344 HG2 ARG 49 2HG ARG 49 -9.199 -0.474 11.036 345 HG3 ARG 49 1HG ARG 49 -7.962 0.781 10.945 346 HD2 ARG 49 2HD ARG 49 -9.563 2.464 10.372 347 HD3 ARG 49 1HD ARG 49 -10.816 1.253 10.035 348 HE ARG 49 HE ARG 49 -9.651 1.454 12.778 349 HH11 ARG 49 1HH1 ARG 49 -11.875 3.413 11.888 350 HH12 ARG 49 2HH1 ARG 49 -13.269 2.613 12.531 351 HH21 ARG 49 1HH2 ARG 49 -11.630 -0.398 13.047 352 HH22 ARG 49 2HH2 ARG 49 -13.131 0.455 13.188 353 H GLY 50 H GLY 50 -7.271 -1.817 6.895 354 HA2 GLY 50 2HA GLY 50 -9.456 -2.025 4.857 355 HA3 GLY 50 1HA GLY 50 -7.875 -1.334 4.500 356 H TRP 51 H TRP 51 -8.879 -3.460 2.987 357 HA TRP 51 HA TRP 51 -6.932 -5.620 3.690 358 HB2 TRP 51 2HB TRP 51 -9.877 -5.670 3.568 359 HB3 TRP 51 1HB TRP 51 -9.110 -6.947 2.626 360 HD1 TRP 51 HD TRP 51 -10.251 -6.241 6.004 361 HE1 TRP 51 1HE TRP 51 -9.197 -7.859 7.713 362 HE3 TRP 51 3HE TRP 51 -6.514 -8.222 3.147 363 HZ2 TRP 51 2HZ TRP 51 -7.050 -9.747 7.847 364 HZ3 TRP 51 3HZ TRP 51 -4.980 -9.923 4.088 365 HH2 TRP 51 HH TRP 51 -5.243 -10.689 6.432 366 H CYS 52 H CYS 52 -6.870 -7.185 1.619 367 HA CYS 52 HA CYS 52 -6.843 -5.396 -0.794 368 HB2 CYS 52 2HB CYS 52 -4.713 -6.400 0.306 369 HB3 CYS 52 1HB CYS 52 -5.252 -7.925 -0.396 370 H ARG 53 H ARG 53 -8.526 -5.893 -2.133 371 HA ARG 53 HA ARG 53 -9.152 -8.788 -2.613 372 HB2 ARG 53 2HB ARG 53 -11.183 -6.544 -2.589 373 HB3 ARG 53 1HB ARG 53 -11.484 -8.277 -2.509 374 HG2 ARG 53 2HG ARG 53 -11.499 -8.125 -0.269 375 HG3 ARG 53 1HG ARG 53 -9.800 -7.663 -0.319 376 HD2 ARG 53 2HD ARG 53 -10.608 -5.280 -0.808 377 HD3 ARG 53 1HD ARG 53 -12.219 -5.847 -0.327 378 HE ARG 53 HE ARG 53 -9.945 -5.465 1.466 379 HH11 ARG 53 1HH1 ARG 53 -10.838 -8.352 1.734 380 HH12 ARG 53 2HH1 ARG 53 -12.022 -8.229 2.992 381 HH21 ARG 53 1HH2 ARG 53 -12.350 -4.788 2.714 382 HH22 ARG 53 2HH2 ARG 53 -12.877 -6.213 3.548 383 H SER 54 H SER 54 -10.071 -9.148 -4.807 384 HA SER 54 HA SER 54 -8.735 -7.756 -6.896 385 HB2 SER 54 2HB SER 54 -9.953 -9.214 -8.268 386 HB3 SER 54 1HB SER 54 -10.044 -10.052 -6.722 387 HG SER 54 HG SER 54 -12.022 -9.074 -8.216 388 H LYS 55 H LYS 55 -12.137 -7.553 -5.863 389 HA LYS 55 HA LYS 55 -12.203 -4.705 -6.719 390 HB2 LYS 55 2HB LYS 55 -13.296 -5.481 -8.565 391 HB3 LYS 55 1HB LYS 55 -13.523 -7.074 -7.861 392 HG2 LYS 55 2HG LYS 55 -15.392 -6.131 -6.483 393 HG3 LYS 55 1HG LYS 55 -15.231 -4.618 -7.377 394 HD2 LYS 55 2HD LYS 55 -15.743 -5.743 -9.471 395 HD3 LYS 55 1HD LYS 55 -15.752 -7.313 -8.667 396 HE2 LYS 55 2HE LYS 55 -17.550 -5.386 -7.376 397 HE3 LYS 55 1HE LYS 55 -17.993 -5.730 -9.060 398 HZ1 LYS 55 3HZ LYS 55 -18.644 -7.347 -7.069 399 HZ2 LYS 55 1HZ LYS 55 -17.116 -7.987 -7.436 400 HZ3 LYS 55 2HZ LYS 55 -18.317 -7.915 -8.636 401 H CYS 56 H CYS 56 -13.457 -3.458 -5.264 402 HA CYS 56 HA CYS 56 -14.649 -4.948 -2.960 403 HB2 CYS 56 2HB CYS 56 -12.806 -2.964 -3.020 404 HB3 CYS 56 1HB CYS 56 -14.277 -1.997 -2.915 405 H PHE 57 H PHE 57 -16.694 -4.000 -2.060 406 HA PHE 57 HA PHE 57 -18.631 -3.494 -4.195 407 HB2 PHE 57 2HB PHE 57 -18.545 -4.179 -1.334 408 HB3 PHE 57 1HB PHE 57 -19.893 -3.127 -1.762 409 HD1 PHE 57 2HD PHE 57 -20.907 -3.839 -4.242 410 HD2 PHE 57 1HD PHE 57 -19.063 -6.445 -1.367 411 HE1 PHE 57 2HE PHE 57 -22.106 -5.774 -5.226 412 HE2 PHE 57 1HE PHE 57 -20.263 -8.379 -2.351 413 HZ PHE 57 HZ PHE 57 -21.784 -8.044 -4.281 414 H ARG 58 H ARG 58 -20.380 -1.686 -3.000 415 HA ARG 58 HA ARG 58 -19.047 0.843 -3.546 416 HB2 ARG 58 2HB ARG 58 -21.501 -0.087 -4.012 417 HB3 ARG 58 1HB ARG 58 -21.813 0.625 -2.429 418 HG2 ARG 58 2HG ARG 58 -21.442 2.780 -3.167 419 HG3 ARG 58 1HG ARG 58 -20.305 2.269 -4.416 420 HD2 ARG 58 2HD ARG 58 -22.292 2.963 -5.582 421 HD3 ARG 58 1HD ARG 58 -22.335 1.189 -5.588 422 HE ARG 58 HE ARG 58 -23.639 1.728 -3.268 423 HH11 ARG 58 1HH1 ARG 58 -24.402 1.830 -6.509 424 HH12 ARG 58 2HH1 ARG 58 -25.842 2.774 -6.335 425 HH21 ARG 58 1HH2 ARG 58 -25.286 3.493 -2.989 426 HH22 ARG 58 2HH2 ARG 58 -26.343 3.716 -4.343 427 H HIS 59 H HIS 59 -20.563 -0.685 -0.698 428 HA HIS 59 HA HIS 59 -20.397 1.349 1.187 429 HB2 HIS 59 2HB HIS 59 -19.940 -1.624 1.226 430 HB3 HIS 59 1HB HIS 59 -19.712 -0.698 2.710 431 HD1 HIS 59 1HD HIS 59 -22.212 1.013 0.815 432 HD2 HIS 59 2HD HIS 59 -22.234 -2.367 3.256 433 HE1 HIS 59 1HE HIS 59 -24.626 0.621 1.476 434 H GLU 60 H GLU 60 -17.772 -0.349 -0.390 435 HA GLU 60 HA GLU 60 -15.812 1.197 1.257 436 HB2 GLU 60 2HB GLU 60 -15.398 -1.493 -0.067 437 HB3 GLU 60 1HB GLU 60 -14.417 -0.738 1.173 438 HG2 GLU 60 2HG GLU 60 -17.090 -0.899 2.158 439 HG3 GLU 60 1HG GLU 60 -16.638 -2.484 1.530 440 H TYR 61 H TYR 61 -13.605 1.148 -0.089 441 HA TYR 61 HA TYR 61 -14.167 1.533 -2.997 442 HB2 TYR 61 2HB TYR 61 -12.933 3.659 -2.910 443 HB3 TYR 61 1HB TYR 61 -14.291 3.706 -1.790 444 HD1 TYR 61 2HD TYR 61 -13.743 2.842 0.662 445 HD2 TYR 61 1HD TYR 61 -10.821 4.295 -2.133 446 HE1 TYR 61 2HE TYR 61 -12.191 3.318 2.535 447 HE2 TYR 61 1HE TYR 61 -9.272 4.777 -0.257 448 HH TYR 61 HH TYR 61 -8.897 4.509 1.932 449 H VAL 62 H VAL 62 -11.601 2.388 -3.691 450 HA VAL 62 HA VAL 62 -9.951 0.005 -2.920 451 HB VAL 62 HB VAL 62 -10.267 1.648 -5.438 452 HG11 VAL 62 1HG1 VAL 62 -7.947 0.028 -4.499 453 HG12 VAL 62 2HG1 VAL 62 -7.982 1.420 -5.580 454 HG13 VAL 62 3HG1 VAL 62 -8.438 -0.174 -6.180 455 HG21 VAL 62 3HG2 VAL 62 -10.150 -1.266 -5.616 456 HG22 VAL 62 1HG2 VAL 62 -11.399 -0.162 -6.189 457 HG23 VAL 62 2HG2 VAL 62 -11.417 -0.723 -4.517 458 H ASP 63 H ASP 63 -9.015 1.172 -1.087 459 HA ASP 63 HA ASP 63 -7.911 3.658 -0.839 460 HB2 ASP 63 2HB ASP 63 -7.808 1.547 0.664 461 HB3 ASP 63 1HB ASP 63 -6.297 1.197 -0.173 462 H THR 64 H THR 64 -7.243 4.492 -2.911 463 HA THR 64 HA THR 64 -5.381 3.331 -4.698 464 HB THR 64 HB THR 64 -4.884 5.972 -4.951 465 HG1 THR 64 1HG THR 64 -6.253 7.164 -3.878 466 HG21 THR 64 3HG2 THR 64 -7.314 4.355 -5.691 467 HG22 THR 64 1HG2 THR 64 -5.967 4.852 -6.714 468 HG23 THR 64 2HG2 THR 64 -7.162 6.039 -6.192 469 H TYR 65 H TYR 65 -4.877 4.861 -1.598 470 HA TYR 65 HA TYR 65 -2.060 5.431 -1.886 471 HB2 TYR 65 2HB TYR 65 -3.832 6.297 -0.215 472 HB3 TYR 65 1HB TYR 65 -3.542 4.802 0.670 473 HD1 TYR 65 1HD TYR 65 -1.278 7.149 -1.192 474 HD2 TYR 65 2HD TYR 65 -2.205 5.222 2.534 475 HE1 TYR 65 1HE TYR 65 0.757 8.136 -0.174 476 HE2 TYR 65 2HE TYR 65 -0.171 6.210 3.551 477 HH TYR 65 HH TYR 65 1.722 8.629 1.894 478 H TYR 66 H TYR 66 -3.797 2.765 -0.220 479 HA TYR 66 HA TYR 66 -1.303 1.322 0.253 480 HB2 TYR 66 2HB TYR 66 -4.202 1.044 0.857 481 HB3 TYR 66 1HB TYR 66 -3.218 -0.420 0.918 482 HD1 TYR 66 2HD TYR 66 -0.991 -0.294 2.240 483 HD2 TYR 66 1HD TYR 66 -4.184 2.546 2.674 484 HE1 TYR 66 2HE TYR 66 -0.074 0.400 4.436 485 HE2 TYR 66 1HE TYR 66 -3.265 3.241 4.870 486 HH TYR 66 HH TYR 66 -0.704 3.121 5.911 487 H SER 67 H SER 67 -3.315 1.610 -2.446 488 HA SER 67 HA SER 67 -3.546 -0.990 -3.519 489 HB2 SER 67 2HB SER 67 -3.690 1.750 -4.350 490 HB3 SER 67 1HB SER 67 -2.773 0.861 -5.561 491 HG SER 67 HG SER 67 -4.565 -0.047 -6.152 492 H ALA 68 H ALA 68 -0.694 0.899 -2.917 493 HA ALA 68 HA ALA 68 1.063 -0.281 -4.877 494 HB1 ALA 68 1HB ALA 68 1.093 1.640 -2.751 495 HB2 ALA 68 2HB ALA 68 2.273 1.428 -4.045 496 HB3 ALA 68 3HB ALA 68 2.458 0.545 -2.529 497 H VAL 69 H VAL 69 0.526 -1.000 -1.399 498 HA VAL 69 HA VAL 69 2.401 -3.203 -1.362 499 HB VAL 69 HB VAL 69 1.607 -1.798 0.591 500 HG11 VAL 69 1HG1 VAL 69 -0.928 -2.772 -0.303 501 HG12 VAL 69 2HG1 VAL 69 -0.583 -1.612 0.977 502 HG13 VAL 69 3HG1 VAL 69 -0.643 -3.335 1.343 503 HG21 VAL 69 3HG2 VAL 69 2.088 -4.618 0.464 504 HG22 VAL 69 1HG2 VAL 69 0.940 -4.284 1.758 505 HG23 VAL 69 2HG2 VAL 69 2.514 -3.490 1.747 506 H CYS 70 H CYS 70 -0.949 -2.836 -2.250 507 HA CYS 70 HA CYS 70 -1.781 -5.579 -1.981 508 HB2 CYS 70 2HB CYS 70 -2.678 -3.044 -3.162 509 HB3 CYS 70 1HB CYS 70 -3.235 -4.462 -4.052 510 H GLY 71 H GLY 71 -0.844 -3.753 -4.931 511 HA2 GLY 71 2HA GLY 71 0.610 -4.582 -6.660 512 HA3 GLY 71 1HA GLY 71 0.456 -6.201 -5.975 513 H ARG 72 H ARG 72 -0.588 -7.505 -7.398 514 HA ARG 72 HA ARG 72 -2.136 -6.725 -9.613 515 HB2 ARG 72 2HB ARG 72 -1.724 -9.141 -7.940 516 HB3 ARG 72 1HB ARG 72 -3.180 -9.150 -8.933 517 HG2 ARG 72 2HG ARG 72 -1.766 -9.916 -10.551 518 HG3 ARG 72 1HG ARG 72 -1.363 -8.208 -10.728 519 HD2 ARG 72 2HD ARG 72 0.624 -8.419 -9.463 520 HD3 ARG 72 1HD ARG 72 0.100 -9.950 -8.736 521 HE ARG 72 HE ARG 72 0.285 -10.026 -11.660 522 HH11 ARG 72 1HH1 ARG 72 2.072 -10.174 -8.721 523 HH12 ARG 72 2HH1 ARG 72 3.180 -11.375 -9.297 524 HH21 ARG 72 1HH2 ARG 72 1.633 -11.706 -12.382 525 HH22 ARG 72 2HH2 ARG 72 2.932 -12.241 -11.369 526 H TYR 73 H TYR 73 -3.143 -7.300 -6.256 527 HA TYR 73 HA TYR 73 -5.983 -6.766 -6.913 528 HB2 TYR 73 2HB TYR 73 -4.432 -7.457 -4.400 529 HB3 TYR 73 1HB TYR 73 -6.174 -7.181 -4.408 530 HD1 TYR 73 1HD TYR 73 -3.514 -9.219 -6.077 531 HD2 TYR 73 2HD TYR 73 -7.640 -8.939 -4.915 532 HE1 TYR 73 1HE TYR 73 -3.878 -11.561 -6.807 533 HE2 TYR 73 2HE TYR 73 -8.005 -11.281 -5.645 534 HH TYR 73 HH TYR 73 -5.681 -13.451 -6.083 535 H PHE 74 H PHE 74 -6.932 -5.292 -4.901 536 HA PHE 74 HA PHE 74 -5.269 -2.796 -4.800 537 HB2 PHE 74 2HB PHE 74 -8.277 -2.778 -4.977 538 HB3 PHE 74 1HB PHE 74 -7.138 -1.520 -5.449 539 HD1 PHE 74 2HD PHE 74 -5.226 -2.762 -7.173 540 HD2 PHE 74 1HD PHE 74 -9.431 -3.560 -6.824 541 HE1 PHE 74 2HE PHE 74 -5.260 -3.625 -9.500 542 HE2 PHE 74 1HE PHE 74 -9.467 -4.422 -9.149 543 HZ PHE 74 HZ PHE 74 -7.378 -4.454 -10.489 544 H CYS 75 H CYS 75 -5.323 -1.746 -2.779 545 HA CYS 75 HA CYS 75 -6.350 -3.301 -0.520 546 HB2 CYS 75 2HB CYS 75 -4.249 -2.158 -0.295 547 HB3 CYS 75 1HB CYS 75 -4.942 -0.641 -0.869 548 H CYS 76 H CYS 76 -8.642 -3.246 -0.549 549 HA CYS 76 HA CYS 76 -10.082 -0.758 -1.048 550 HB2 CYS 76 2HB CYS 76 -11.086 -2.804 -1.703 551 HB3 CYS 76 1HB CYS 76 -10.793 -3.552 -0.141 552 H ARG 77 H ARG 77 -11.623 0.078 0.594 553 HA ARG 77 HA ARG 77 -10.958 -0.429 3.429 554 HB2 ARG 77 2HB ARG 77 -10.024 1.889 1.805 555 HB3 ARG 77 1HB ARG 77 -10.548 2.229 3.455 556 HG2 ARG 77 2HG ARG 77 -9.024 0.007 3.859 557 HG3 ARG 77 1HG ARG 77 -8.176 0.743 2.498 558 HD2 ARG 77 2HD ARG 77 -7.303 1.578 4.679 559 HD3 ARG 77 1HD ARG 77 -8.051 2.887 3.745 560 HE ARG 77 HE ARG 77 -10.139 1.785 5.238 561 HH11 ARG 77 1HH2 ARG 77 -7.652 1.443 7.095 562 HH12 ARG 77 2HH2 ARG 77 -7.830 2.850 8.089 563 HH21 ARG 77 1HH1 ARG 77 -10.128 4.370 5.982 564 HH22 ARG 77 2HH1 ARG 77 -9.234 4.507 7.459 565 H SER 78 H SER 78 -12.280 1.132 4.846 566 HA SER 78 HA SER 78 -14.966 1.520 3.578 567 HB2 SER 78 2HB SER 78 -14.404 1.504 6.531 568 HB3 SER 78 1HB SER 78 -15.845 0.962 5.674 569 HG SER 78 HG SER 78 -13.346 -0.298 5.984 570 H ARG 79 H ARG 79 -14.037 3.650 2.728 571 HA ARG 79 HA ARG 79 -13.065 5.806 4.158 572 HB2 ARG 79 2HB ARG 79 -13.818 5.505 1.684 573 HB3 ARG 79 1HB ARG 79 -15.382 6.096 2.245 574 HG2 ARG 79 2HG ARG 79 -13.743 7.939 3.379 575 HG3 ARG 79 1HG ARG 79 -12.816 7.548 1.931 576 HD2 ARG 79 2HD ARG 79 -15.054 7.851 0.650 577 HD3 ARG 79 1HD ARG 79 -15.608 8.684 2.116 578 HE ARG 79 HE ARG 79 -13.184 9.507 0.560 579 HH11 ARG 79 1HH1 ARG 79 -15.549 11.184 0.136 580 HH12 ARG 79 2HH1 ARG 79 -15.394 12.410 1.348 581 HH21 ARG 79 1HH2 ARG 79 -13.093 10.631 3.233 582 HH22 ARG 79 2HH2 ARG 79 -14.004 12.097 3.101 Start of MODEL 13 1 H1 ASN 1 1HT ASN 1 5.717 8.327 -7.896 2 H2 ASN 1 2HT ASN 1 6.883 9.139 -8.827 3 H3 ASN 1 3HT ASN 1 7.351 8.264 -7.447 4 HA ASN 1 HA ASN 1 6.053 6.385 -8.935 5 HB2 ASN 1 2HB ASN 1 6.627 8.603 -10.569 6 HB3 ASN 1 1HB ASN 1 7.873 7.417 -10.956 7 HD21 ASN 1 1HD2 ASN 1 6.963 6.794 -13.012 8 HD22 ASN 1 2HD2 ASN 1 5.484 5.970 -13.137 9 HA PRO 2 HA PRO 2 10.768 5.669 -8.997 10 HB2 PRO 2 2HB PRO 2 12.416 7.761 -8.377 11 HB3 PRO 2 1HB PRO 2 11.858 7.429 -10.029 12 HG2 PRO 2 2HG PRO 2 10.924 9.471 -8.090 13 HG3 PRO 2 1HG PRO 2 11.054 9.559 -9.852 14 HD2 PRO 2 2HD PRO 2 8.706 9.151 -8.465 15 HD3 PRO 2 1HD PRO 2 8.968 8.709 -10.166 16 H LEU 3 H LEU 3 12.661 5.846 -7.176 17 HA LEU 3 HA LEU 3 13.141 5.420 -4.899 18 HB2 LEU 3 2HB LEU 3 11.963 7.972 -5.285 19 HB3 LEU 3 1HB LEU 3 11.268 7.319 -3.802 20 HG LEU 3 HG LEU 3 14.240 7.249 -4.342 21 HD11 LEU 3 1HD1 LEU 3 13.064 9.286 -2.509 22 HD12 LEU 3 2HD1 LEU 3 12.953 9.601 -4.241 23 HD13 LEU 3 3HD1 LEU 3 14.529 9.367 -3.486 24 HD21 LEU 3 3HD2 LEU 3 12.411 6.788 -1.999 25 HD22 LEU 3 1HD2 LEU 3 14.074 7.304 -1.720 26 HD23 LEU 3 2HD2 LEU 3 13.751 5.795 -2.573 27 H ILE 4 H ILE 4 11.954 4.951 -2.695 28 HA ILE 4 HA ILE 4 9.747 3.072 -3.289 29 HB ILE 4 HB ILE 4 11.693 3.631 -1.078 30 HG12 ILE 4 2HG1 ILE 4 12.038 1.958 -2.955 31 HG13 ILE 4 1HG1 ILE 4 12.174 1.286 -1.330 32 HG21 ILE 4 1HG2 ILE 4 10.153 1.660 0.035 33 HG22 ILE 4 2HG2 ILE 4 8.916 2.681 -0.697 34 HG23 ILE 4 3HG2 ILE 4 10.043 3.364 0.475 35 HD11 ILE 4 3HD1 ILE 4 9.715 1.161 -3.101 36 HD12 ILE 4 1HD1 ILE 4 9.820 0.524 -1.460 37 HD13 ILE 4 2HD1 ILE 4 10.801 -0.182 -2.745 38 HA PRO 5 HA PRO 5 6.714 5.884 -1.751 39 HB2 PRO 5 2HB PRO 5 4.676 4.099 -1.411 40 HB3 PRO 5 1HB PRO 5 5.186 4.687 -3.001 41 HG2 PRO 5 2HG PRO 5 5.715 2.091 -1.690 42 HG3 PRO 5 1HG PRO 5 5.508 2.468 -3.405 43 HD2 PRO 5 2HD PRO 5 7.941 2.021 -2.143 44 HD3 PRO 5 1HD PRO 5 7.726 2.844 -3.702 45 H ALA 6 H ALA 6 5.431 6.193 0.242 46 HA ALA 6 HA ALA 6 6.824 5.222 2.607 47 HB1 ALA 6 1HB ALA 6 6.045 7.542 2.348 48 HB2 ALA 6 2HB ALA 6 5.250 6.787 3.729 49 HB3 ALA 6 3HB ALA 6 4.381 6.976 2.206 50 H ILE 7 H ILE 7 3.933 4.391 0.861 51 HA ILE 7 HA ILE 7 2.294 3.255 2.832 52 HB ILE 7 HB ILE 7 1.433 3.370 0.656 53 HG12 ILE 7 2HG1 ILE 7 0.830 1.126 0.042 54 HG13 ILE 7 1HG1 ILE 7 2.279 0.466 0.800 55 HG21 ILE 7 1HG2 ILE 7 4.147 2.819 -0.099 56 HG22 ILE 7 2HG2 ILE 7 2.832 3.426 -1.101 57 HG23 ILE 7 3HG2 ILE 7 3.086 1.690 -0.939 58 HD11 ILE 7 3HD1 ILE 7 1.396 1.441 2.999 59 HD12 ILE 7 1HD1 ILE 7 0.510 0.064 2.346 60 HD13 ILE 7 2HD1 ILE 7 -0.128 1.697 2.155 61 H TYR 8 H TYR 8 4.822 1.509 0.979 62 HA TYR 8 HA TYR 8 4.648 -0.991 2.197 63 HB2 TYR 8 2HB TYR 8 7.094 0.602 1.368 64 HB3 TYR 8 1HB TYR 8 7.073 -1.143 1.619 65 HD1 TYR 8 1HD TYR 8 4.241 -1.617 0.525 66 HD2 TYR 8 2HD TYR 8 7.595 0.598 -0.986 67 HE1 TYR 8 1HE TYR 8 3.404 -1.931 -1.784 68 HE2 TYR 8 2HE TYR 8 6.755 0.285 -3.298 69 HH TYR 8 HH TYR 8 5.078 -1.715 -4.388 70 H ILE 9 H ILE 9 5.959 1.988 3.529 71 HA ILE 9 HA ILE 9 7.392 0.840 5.736 72 HB ILE 9 HB ILE 9 5.940 3.500 5.533 73 HG12 ILE 9 2HG1 ILE 9 8.678 2.628 4.560 74 HG13 ILE 9 1HG1 ILE 9 7.347 3.237 3.577 75 HG21 ILE 9 1HG2 ILE 9 6.938 4.013 7.487 76 HG22 ILE 9 2HG2 ILE 9 8.508 3.493 6.875 77 HG23 ILE 9 3HG2 ILE 9 7.420 2.322 7.621 78 HD11 ILE 9 3HD1 ILE 9 9.186 4.923 4.138 79 HD12 ILE 9 1HD1 ILE 9 8.591 4.869 5.796 80 HD13 ILE 9 2HD1 ILE 9 7.537 5.429 4.499 81 H GLY 10 H GLY 10 6.548 -0.243 7.453 82 HA2 GLY 10 2HA GLY 10 5.018 -0.952 9.084 83 HA3 GLY 10 1HA GLY 10 4.219 0.610 8.888 84 H ALA 11 H ALA 11 4.748 -1.547 6.191 85 HA ALA 11 HA ALA 11 1.775 -1.997 6.065 86 HB1 ALA 11 1HB ALA 11 1.955 -1.076 4.013 87 HB2 ALA 11 2HB ALA 11 3.089 -2.342 3.545 88 HB3 ALA 11 3HB ALA 11 3.685 -0.852 4.274 89 H THR 12 H THR 12 1.798 -3.909 4.017 90 HA THR 12 HA THR 12 3.579 -6.127 4.887 91 HB THR 12 HB THR 12 0.565 -6.033 5.182 92 HG1 THR 12 1HG THR 12 1.537 -7.015 7.280 93 HG21 THR 12 3HG2 THR 12 2.324 -8.465 5.546 94 HG22 THR 12 1HG2 THR 12 1.409 -8.153 4.071 95 HG23 THR 12 2HG2 THR 12 0.563 -8.391 5.599 96 H VAL 13 H VAL 13 4.355 -6.191 2.687 97 HA VAL 13 HA VAL 13 2.374 -6.454 0.500 98 HB VAL 13 HB VAL 13 4.310 -6.214 -0.900 99 HG11 VAL 13 1HG1 VAL 13 5.342 -4.213 -0.034 100 HG12 VAL 13 2HG1 VAL 13 4.954 -4.669 1.624 101 HG13 VAL 13 3HG1 VAL 13 3.665 -4.218 0.510 102 HG21 VAL 13 3HG2 VAL 13 5.648 -7.972 0.288 103 HG22 VAL 13 1HG2 VAL 13 6.007 -6.791 1.547 104 HG23 VAL 13 2HG2 VAL 13 6.587 -6.530 -0.098 105 H GLY 14 H GLY 14 3.108 -8.299 -1.166 106 HA2 GLY 14 2HA GLY 14 3.012 -10.830 0.376 107 HA3 GLY 14 1HA GLY 14 2.632 -10.655 -1.337 108 HA PRO 15 HA PRO 15 6.882 -12.385 -1.043 109 HB2 PRO 15 2HB PRO 15 6.490 -14.320 -2.938 110 HB3 PRO 15 1HB PRO 15 6.102 -14.556 -1.223 111 HG2 PRO 15 2HG PRO 15 4.297 -13.940 -3.503 112 HG3 PRO 15 1HG PRO 15 4.029 -14.986 -2.101 113 HD2 PRO 15 2HD PRO 15 3.003 -12.460 -2.337 114 HD3 PRO 15 1HD PRO 15 3.328 -13.257 -0.784 115 H SER 16 H SER 16 4.890 -11.986 -3.994 116 HA SER 16 HA SER 16 7.076 -11.483 -5.784 117 HB2 SER 16 2HB SER 16 4.121 -11.190 -5.700 118 HB3 SER 16 1HB SER 16 4.954 -10.198 -6.893 119 HG SER 16 HG SER 16 5.334 -12.992 -6.544 120 H VAL 17 H VAL 17 4.807 -9.189 -4.200 121 HA VAL 17 HA VAL 17 6.057 -6.797 -5.087 122 HB VAL 17 HB VAL 17 4.711 -7.269 -2.413 123 HG11 VAL 17 1HG1 VAL 17 5.676 -4.968 -3.750 124 HG12 VAL 17 2HG1 VAL 17 4.681 -5.020 -2.295 125 HG13 VAL 17 3HG1 VAL 17 3.918 -4.916 -3.881 126 HG21 VAL 17 3HG2 VAL 17 2.870 -6.418 -4.430 127 HG22 VAL 17 1HG2 VAL 17 2.843 -7.914 -3.494 128 HG23 VAL 17 2HG2 VAL 17 3.708 -7.848 -5.030 129 H TRP 18 H TRP 18 6.563 -8.658 -2.071 130 HA TRP 18 HA TRP 18 8.457 -7.074 -0.772 131 HB2 TRP 18 2HB TRP 18 7.537 -9.152 0.116 132 HB3 TRP 18 1HB TRP 18 8.329 -10.083 -1.152 133 HD1 TRP 18 HD TRP 18 10.865 -10.622 -0.892 134 HE1 TRP 18 1HE TRP 18 12.554 -10.315 1.032 135 HE3 TRP 18 3HE TRP 18 8.177 -7.531 2.155 136 HZ2 TRP 18 2HZ TRP 18 12.740 -8.940 3.534 137 HZ3 TRP 18 3HZ TRP 18 9.133 -6.737 4.299 138 HH2 TRP 18 HH TRP 18 11.408 -7.437 4.993 139 H ALA 19 H ALA 19 9.391 -9.844 -2.825 140 HA ALA 19 HA ALA 19 12.089 -9.371 -3.149 141 HB1 ALA 19 1HB ALA 19 11.809 -11.029 -4.670 142 HB2 ALA 19 2HB ALA 19 10.790 -10.009 -5.686 143 HB3 ALA 19 3HB ALA 19 10.081 -10.902 -4.341 144 H TYR 20 H TYR 20 9.448 -7.721 -4.859 145 HA TYR 20 HA TYR 20 11.023 -6.232 -6.716 146 HB2 TYR 20 2HB TYR 20 8.462 -6.603 -6.458 147 HB3 TYR 20 1HB TYR 20 8.522 -5.224 -5.362 148 HD1 TYR 20 2HD TYR 20 9.968 -6.172 -8.699 149 HD2 TYR 20 1HD TYR 20 8.060 -3.155 -6.310 150 HE1 TYR 20 2HE TYR 20 9.989 -4.624 -10.637 151 HE2 TYR 20 1HE TYR 20 8.081 -1.607 -8.248 152 HH TYR 20 HH TYR 20 9.288 -2.659 -11.426 153 H LEU 21 H LEU 21 9.808 -5.301 -3.479 154 HA LEU 21 HA LEU 21 10.995 -2.720 -3.367 155 HB2 LEU 21 2HB LEU 21 9.293 -4.137 -1.871 156 HB3 LEU 21 1HB LEU 21 10.756 -4.449 -0.938 157 HG LEU 21 HG LEU 21 9.537 -1.760 -1.609 158 HD11 LEU 21 1HD1 LEU 21 9.043 -1.599 0.647 159 HD12 LEU 21 2HD1 LEU 21 10.364 -2.667 1.119 160 HD13 LEU 21 3HD1 LEU 21 8.888 -3.341 0.428 161 HD21 LEU 21 3HD2 LEU 21 11.506 -0.825 -0.362 162 HD22 LEU 21 1HD2 LEU 21 11.948 -1.575 -1.896 163 HD23 LEU 21 2HD2 LEU 21 12.229 -2.434 -0.381 164 H VAL 22 H VAL 22 12.337 -5.929 -2.825 165 HA VAL 22 HA VAL 22 14.712 -5.142 -1.411 166 HB VAL 22 HB VAL 22 14.173 -7.475 -3.273 167 HG11 VAL 22 1HG1 VAL 22 15.964 -8.592 -2.137 168 HG12 VAL 22 2HG1 VAL 22 16.077 -7.315 -0.925 169 HG13 VAL 22 3HG1 VAL 22 16.581 -7.003 -2.586 170 HG21 VAL 22 3HG2 VAL 22 12.893 -6.757 -0.869 171 HG22 VAL 22 1HG2 VAL 22 14.040 -8.021 -0.426 172 HG23 VAL 22 2HG2 VAL 22 12.829 -8.327 -1.671 173 H ALA 23 H ALA 23 14.121 -5.799 -4.870 174 HA ALA 23 HA ALA 23 16.750 -5.180 -5.787 175 HB1 ALA 23 1HB ALA 23 15.420 -6.303 -7.326 176 HB2 ALA 23 2HB ALA 23 15.246 -4.654 -7.926 177 HB3 ALA 23 3HB ALA 23 13.983 -5.364 -6.920 178 H LEU 24 H LEU 24 13.862 -3.158 -5.314 179 HA LEU 24 HA LEU 24 14.827 -0.757 -6.493 180 HB2 LEU 24 2HB LEU 24 12.510 -1.587 -5.492 181 HB3 LEU 24 1HB LEU 24 13.097 -0.769 -4.044 182 HG LEU 24 HG LEU 24 13.374 1.313 -5.277 183 HD11 LEU 24 1HD1 LEU 24 12.967 -0.512 -7.585 184 HD12 LEU 24 2HD1 LEU 24 13.972 0.931 -7.455 185 HD13 LEU 24 3HD1 LEU 24 12.236 1.087 -7.722 186 HD21 LEU 24 3HD2 LEU 24 10.861 -0.065 -4.950 187 HD22 LEU 24 1HD2 LEU 24 10.777 0.984 -6.364 188 HD23 LEU 24 2HD2 LEU 24 11.201 1.658 -4.790 189 H VAL 25 H VAL 25 15.093 -1.998 -3.156 190 HA VAL 25 HA VAL 25 17.248 0.032 -2.678 191 HB VAL 25 HB VAL 25 15.466 0.898 -1.425 192 HG11 VAL 25 1HG1 VAL 25 13.963 -1.081 -1.984 193 HG12 VAL 25 2HG1 VAL 25 13.727 -0.378 -0.388 194 HG13 VAL 25 3HG1 VAL 25 14.631 -1.879 -0.560 195 HG21 VAL 25 3HG2 VAL 25 16.311 0.803 0.667 196 HG22 VAL 25 1HG2 VAL 25 17.518 -0.278 -0.027 197 HG23 VAL 25 2HG2 VAL 25 16.094 -0.944 0.772 198 H GLY 26 H GLY 26 15.815 -2.999 -1.402 199 HA2 GLY 26 2HA GLY 26 17.611 -4.898 -1.527 200 HA3 GLY 26 1HA GLY 26 18.532 -3.806 -0.490 201 H ALA 27 H ALA 27 17.813 -6.361 0.414 202 HA ALA 27 HA ALA 27 15.370 -6.437 1.900 203 HB1 ALA 27 1HB ALA 27 16.671 -8.273 3.122 204 HB2 ALA 27 2HB ALA 27 18.040 -7.845 2.096 205 HB3 ALA 27 3HB ALA 27 16.549 -8.451 1.371 206 H ALA 28 H ALA 28 18.179 -4.571 2.415 207 HA ALA 28 HA ALA 28 18.154 -4.581 5.315 208 HB1 ALA 28 1HB ALA 28 20.195 -4.030 4.232 209 HB2 ALA 28 2HB ALA 28 19.598 -2.482 4.833 210 HB3 ALA 28 3HB ALA 28 19.397 -2.905 3.133 211 H ALA 29 H ALA 29 17.494 -1.874 3.066 212 HA ALA 29 HA ALA 29 15.992 -0.358 4.985 213 HB1 ALA 29 1HB ALA 29 16.005 1.138 3.262 214 HB2 ALA 29 2HB ALA 29 15.260 -0.016 2.157 215 HB3 ALA 29 3HB ALA 29 17.004 -0.044 2.418 216 H VAL 30 H VAL 30 15.230 -3.089 3.003 217 HA VAL 30 HA VAL 30 12.364 -2.742 2.866 218 HB VAL 30 HB VAL 30 14.339 -5.003 2.547 219 HG11 VAL 30 1HG1 VAL 30 11.472 -5.209 3.071 220 HG12 VAL 30 2HG1 VAL 30 12.690 -6.481 2.997 221 HG13 VAL 30 3HG1 VAL 30 11.917 -5.914 1.517 222 HG21 VAL 30 3HG2 VAL 30 13.726 -3.031 0.858 223 HG22 VAL 30 1HG2 VAL 30 12.369 -4.095 0.485 224 HG23 VAL 30 2HG2 VAL 30 14.024 -4.669 0.277 225 H THR 31 H THR 31 14.586 -4.344 5.147 226 HA THR 31 HA THR 31 12.365 -5.382 6.786 227 HB THR 31 HB THR 31 15.374 -5.264 7.188 228 HG1 THR 31 1HG THR 31 13.842 -7.508 6.456 229 HG21 THR 31 3HG2 THR 31 15.070 -6.283 9.174 230 HG22 THR 31 1HG2 THR 31 13.934 -7.437 8.476 231 HG23 THR 31 2HG2 THR 31 13.363 -5.865 9.035 232 H ALA 32 H ALA 32 14.458 -2.578 6.693 233 HA ALA 32 HA ALA 32 13.937 -1.763 9.459 234 HB1 ALA 32 1HB ALA 32 15.071 0.352 8.532 235 HB2 ALA 32 2HB ALA 32 15.217 -0.528 7.010 236 HB3 ALA 32 3HB ALA 32 16.016 -1.135 8.460 237 H ALA 33 H ALA 33 12.360 -1.447 6.400 238 HA ALA 33 HA ALA 33 10.804 0.942 7.191 239 HB1 ALA 33 1HB ALA 33 11.084 1.073 4.929 240 HB2 ALA 33 2HB ALA 33 9.740 -0.066 4.855 241 HB3 ALA 33 3HB ALA 33 11.401 -0.656 4.784 242 H ASN 34 H ASN 34 10.622 -1.739 8.616 243 HA ASN 34 HA ASN 34 8.962 -3.267 9.346 244 HB2 ASN 34 2HB ASN 34 8.531 -0.898 10.259 245 HB3 ASN 34 1HB ASN 34 7.237 -0.805 9.068 246 HD21 ASN 34 1HD2 ASN 34 8.295 -3.613 11.056 247 HD22 ASN 34 2HD2 ASN 34 6.789 -3.842 11.805 248 H ILE 35 H ILE 35 9.019 -4.345 7.145 249 HA ILE 35 HA ILE 35 6.393 -3.993 5.735 250 HB ILE 35 HB ILE 35 9.191 -4.581 4.729 251 HG12 ILE 35 2HG1 ILE 35 7.199 -2.511 3.782 252 HG13 ILE 35 1HG1 ILE 35 8.310 -2.193 5.114 253 HG21 ILE 35 1HG2 ILE 35 6.638 -4.625 3.098 254 HG22 ILE 35 2HG2 ILE 35 7.438 -6.082 3.685 255 HG23 ILE 35 3HG2 ILE 35 8.266 -5.019 2.547 256 HD11 ILE 35 3HD1 ILE 35 9.483 -3.337 2.627 257 HD12 ILE 35 1HD1 ILE 35 10.158 -2.155 3.748 258 HD13 ILE 35 2HD1 ILE 35 8.953 -1.656 2.562 259 H ARG 36 H ARG 36 5.153 -5.788 6.137 260 HA ARG 36 HA ARG 36 6.484 -8.339 6.877 261 HB2 ARG 36 2HB ARG 36 3.660 -7.253 7.003 262 HB3 ARG 36 1HB ARG 36 4.063 -8.911 7.448 263 HG2 ARG 36 2HG ARG 36 5.841 -7.862 8.999 264 HG3 ARG 36 1HG ARG 36 4.967 -6.349 8.759 265 HD2 ARG 36 2HD ARG 36 2.889 -8.022 9.332 266 HD3 ARG 36 1HD ARG 36 4.179 -8.741 10.319 267 HE ARG 36 HE ARG 36 4.502 -6.062 10.805 268 HH11 ARG 36 1HH2 ARG 36 2.301 -8.528 11.559 269 HH12 ARG 36 2HH2 ARG 36 1.225 -7.511 12.458 270 HH21 ARG 36 1HH1 ARG 36 2.894 -4.580 11.654 271 HH22 ARG 36 2HH1 ARG 36 1.560 -5.276 12.512 272 H ARG 37 H ARG 37 5.833 -10.334 5.830 273 HA ARG 37 HA ARG 37 5.012 -9.945 2.980 274 HB2 ARG 37 2HB ARG 37 6.908 -11.642 4.487 275 HB3 ARG 37 1HB ARG 37 6.024 -12.483 3.212 276 HG2 ARG 37 2HG ARG 37 6.680 -10.643 1.631 277 HG3 ARG 37 1HG ARG 37 7.697 -9.975 2.909 278 HD2 ARG 37 2HD ARG 37 8.896 -11.512 1.250 279 HD3 ARG 37 1HD ARG 37 9.071 -11.970 2.956 280 HE ARG 37 HE ARG 37 6.937 -13.180 1.240 281 HH11 ARG 37 1HH2 ARG 37 9.996 -13.653 2.594 282 HH12 ARG 37 2HH2 ARG 37 9.643 -15.212 3.261 283 HH21 ARG 37 1HH1 ARG 37 6.267 -15.073 2.485 284 HH22 ARG 37 2HH1 ARG 37 7.531 -16.016 3.200 285 H ALA 38 H ALA 38 3.184 -11.039 2.227 286 HA ALA 38 HA ALA 38 1.705 -12.702 4.239 287 HB1 ALA 38 1HB ALA 38 0.118 -11.579 2.078 288 HB2 ALA 38 2HB ALA 38 1.043 -10.322 2.899 289 HB3 ALA 38 3HB ALA 38 -0.057 -11.350 3.818 290 H SER 39 H SER 39 0.279 -14.384 3.219 291 HA SER 39 HA SER 39 1.550 -16.269 1.660 292 HB2 SER 39 2HB SER 39 -1.161 -15.566 2.432 293 HB3 SER 39 1HB SER 39 -1.140 -16.319 0.839 294 HG SER 39 HG SER 39 -1.209 -17.707 2.831 295 H SER 40 H SER 40 0.086 -13.282 0.541 296 HA SER 40 HA SER 40 1.417 -13.455 -2.029 297 HB2 SER 40 2HB SER 40 -1.328 -14.493 -1.652 298 HB3 SER 40 1HB SER 40 -1.128 -13.420 -3.034 299 HG SER 40 HG SER 40 0.624 -14.751 -3.688 300 H ASP 41 H ASP 41 -0.287 -11.807 -3.522 301 HA ASP 41 HA ASP 41 0.225 -9.213 -2.398 302 HB2 ASP 41 2HB ASP 41 -1.528 -10.225 -4.658 303 HB3 ASP 41 1HB ASP 41 -1.179 -8.520 -4.382 304 H ASN 42 H ASN 42 -2.216 -11.470 -1.714 305 HA ASN 42 HA ASN 42 -4.270 -9.433 -1.050 306 HB2 ASN 42 2HB ASN 42 -4.998 -11.436 -2.173 307 HB3 ASN 42 1HB ASN 42 -4.129 -12.459 -1.030 308 HD21 ASN 42 1HD2 ASN 42 -5.748 -9.682 0.323 309 HD22 ASN 42 2HD2 ASN 42 -7.056 -10.522 0.999 310 H HIS 43 H HIS 43 -3.607 -8.385 0.858 311 HA HIS 43 HA HIS 43 -3.429 -10.113 3.277 312 HB2 HIS 43 2HB HIS 43 -1.502 -8.425 3.926 313 HB3 HIS 43 1HB HIS 43 -1.149 -9.824 2.921 314 HD1 HIS 43 1HD HIS 43 -1.172 -6.121 2.895 315 HD2 HIS 43 2HD HIS 43 -0.849 -9.193 0.099 316 HE1 HIS 43 1HE HIS 43 -0.197 -5.074 0.793 317 H SER 44 H SER 44 -3.244 -8.467 5.266 318 HA SER 44 HA SER 44 -5.575 -6.670 5.017 319 HB2 SER 44 2HB SER 44 -4.142 -6.713 7.562 320 HB3 SER 44 1HB SER 44 -5.799 -7.192 7.213 321 HG SER 44 HG SER 44 -4.317 -8.899 7.925 322 H CYS 45 H CYS 45 -5.253 -4.537 4.491 323 HA CYS 45 HA CYS 45 -2.600 -3.320 5.186 324 HB2 CYS 45 2HB CYS 45 -3.153 -1.813 3.229 325 HB3 CYS 45 1HB CYS 45 -2.916 -3.504 2.813 326 H ALA 46 H ALA 46 -2.952 -0.756 5.124 327 HA ALA 46 HA ALA 46 -3.773 1.052 6.423 328 HB1 ALA 46 1HB ALA 46 -5.668 1.531 5.280 329 HB2 ALA 46 2HB ALA 46 -6.551 0.400 6.307 330 HB3 ALA 46 3HB ALA 46 -5.817 -0.161 4.804 331 H GLY 47 H GLY 47 -2.981 -1.254 7.917 332 HA2 GLY 47 2HA GLY 47 -3.164 -2.077 10.109 333 HA3 GLY 47 1HA GLY 47 -4.314 -0.772 10.421 334 H ASN 48 H ASN 48 -5.704 -2.279 11.581 335 HA ASN 48 HA ASN 48 -6.832 -4.549 10.109 336 HB2 ASN 48 2HB ASN 48 -6.450 -3.736 12.793 337 HB3 ASN 48 1HB ASN 48 -8.194 -3.836 12.553 338 HD21 ASN 48 1HD2 ASN 48 -8.955 -5.958 11.449 339 HD22 ASN 48 2HD2 ASN 48 -8.124 -7.380 11.860 340 H ARG 49 H ARG 49 -7.289 -1.893 8.941 341 HA ARG 49 HA ARG 49 -10.233 -1.602 9.360 342 HB2 ARG 49 2HB ARG 49 -7.988 0.302 8.698 343 HB3 ARG 49 1HB ARG 49 -9.675 0.741 8.446 344 HG2 ARG 49 2HG ARG 49 -9.353 -0.439 11.060 345 HG3 ARG 49 1HG ARG 49 -8.218 0.896 10.858 346 HD2 ARG 49 2HD ARG 49 -10.976 1.407 9.873 347 HD3 ARG 49 1HD ARG 49 -10.786 1.281 11.634 348 HE ARG 49 HE ARG 49 -8.731 2.895 11.139 349 HH11 ARG 49 1HH1 ARG 49 -11.895 3.584 11.282 350 HH12 ARG 49 2HH1 ARG 49 -11.887 4.942 10.207 351 HH21 ARG 49 1HH2 ARG 49 -8.679 4.334 9.038 352 HH22 ARG 49 2HH2 ARG 49 -10.067 5.367 8.937 353 H GLY 50 H GLY 50 -7.640 -1.889 6.946 354 HA2 GLY 50 2HA GLY 50 -9.794 -2.151 4.878 355 HA3 GLY 50 1HA GLY 50 -8.263 -1.353 4.527 356 H TRP 51 H TRP 51 -9.205 -3.600 3.065 357 HA TRP 51 HA TRP 51 -7.137 -5.642 3.813 358 HB2 TRP 51 2HB TRP 51 -10.065 -5.820 3.329 359 HB3 TRP 51 1HB TRP 51 -9.087 -7.106 2.627 360 HD1 TRP 51 HD TRP 51 -10.606 -5.996 5.816 361 HE1 TRP 51 1HE TRP 51 -9.816 -7.493 7.760 362 HE3 TRP 51 3HE TRP 51 -6.791 -8.491 3.513 363 HZ2 TRP 51 2HZ TRP 51 -7.830 -9.486 8.270 364 HZ3 TRP 51 3HZ TRP 51 -5.467 -10.179 4.751 365 HH2 TRP 51 HH TRP 51 -5.981 -10.682 7.124 366 H CYS 52 H CYS 52 -6.783 -7.146 1.788 367 HA CYS 52 HA CYS 52 -6.562 -5.378 -0.618 368 HB2 CYS 52 2HB CYS 52 -4.569 -6.472 0.628 369 HB3 CYS 52 1HB CYS 52 -5.130 -7.982 -0.090 370 H ARG 53 H ARG 53 -8.224 -5.790 -2.036 371 HA ARG 53 HA ARG 53 -8.946 -8.661 -2.551 372 HB2 ARG 53 2HB ARG 53 -10.813 -6.286 -2.744 373 HB3 ARG 53 1HB ARG 53 -11.240 -7.989 -2.652 374 HG2 ARG 53 2HG ARG 53 -11.357 -7.846 -0.416 375 HG3 ARG 53 1HG ARG 53 -9.664 -7.358 -0.355 376 HD2 ARG 53 2HD ARG 53 -10.400 -5.000 -0.878 377 HD3 ARG 53 1HD ARG 53 -12.076 -5.546 -0.675 378 HE ARG 53 HE ARG 53 -10.053 -5.360 1.476 379 HH11 ARG 53 1HH2 ARG 53 -13.075 -4.505 1.269 380 HH12 ARG 53 2HH2 ARG 53 -13.753 -5.578 2.448 381 HH21 ARG 53 1HH1 ARG 53 -10.941 -7.600 2.615 382 HH22 ARG 53 2HH1 ARG 53 -12.544 -7.328 3.211 383 H SER 54 H SER 54 -9.166 -9.190 -4.774 384 HA SER 54 HA SER 54 -7.797 -7.758 -6.759 385 HB2 SER 54 2HB SER 54 -8.604 -10.088 -6.945 386 HB3 SER 54 1HB SER 54 -10.268 -9.512 -6.988 387 HG SER 54 HG SER 54 -9.841 -9.581 -9.076 388 H LYS 55 H LYS 55 -11.247 -7.661 -5.945 389 HA LYS 55 HA LYS 55 -11.453 -5.007 -7.311 390 HB2 LYS 55 2HB LYS 55 -13.809 -5.780 -7.781 391 HB3 LYS 55 1HB LYS 55 -12.582 -6.747 -8.591 392 HG2 LYS 55 2HG LYS 55 -13.490 -7.569 -5.861 393 HG3 LYS 55 1HG LYS 55 -14.545 -7.906 -7.234 394 HD2 LYS 55 2HD LYS 55 -11.942 -8.626 -8.063 395 HD3 LYS 55 1HD LYS 55 -12.131 -9.277 -6.434 396 HE2 LYS 55 2HE LYS 55 -14.480 -9.639 -8.212 397 HE3 LYS 55 1HE LYS 55 -13.034 -10.572 -8.648 398 HZ1 LYS 55 3HZ LYS 55 -14.722 -11.368 -6.766 399 HZ2 LYS 55 1HZ LYS 55 -13.692 -10.414 -5.813 400 HZ3 LYS 55 2HZ LYS 55 -13.058 -11.711 -6.710 401 H CYS 56 H CYS 56 -13.774 -4.071 -6.365 402 HA CYS 56 HA CYS 56 -14.024 -4.675 -3.470 403 HB2 CYS 56 2HB CYS 56 -13.130 -2.029 -4.651 404 HB3 CYS 56 1HB CYS 56 -13.649 -2.223 -2.977 405 H PHE 57 H PHE 57 -15.927 -3.605 -2.520 406 HA PHE 57 HA PHE 57 -18.162 -3.451 -4.401 407 HB2 PHE 57 2HB PHE 57 -18.058 -2.853 -1.431 408 HB3 PHE 57 1HB PHE 57 -19.452 -3.394 -2.364 409 HD1 PHE 57 2HD PHE 57 -19.461 -5.704 -3.368 410 HD2 PHE 57 1HD PHE 57 -16.446 -4.404 -0.598 411 HE1 PHE 57 2HE PHE 57 -18.820 -8.065 -2.957 412 HE2 PHE 57 1HE PHE 57 -15.805 -6.765 -0.188 413 HZ PHE 57 HZ PHE 57 -16.992 -8.595 -1.367 414 H ARG 58 H ARG 58 -19.745 -1.537 -4.098 415 HA ARG 58 HA ARG 58 -18.383 0.928 -4.721 416 HB2 ARG 58 2HB ARG 58 -20.755 -0.152 -5.330 417 HB3 ARG 58 1HB ARG 58 -21.265 0.822 -3.951 418 HG2 ARG 58 2HG ARG 58 -21.178 2.703 -5.182 419 HG3 ARG 58 1HG ARG 58 -19.510 2.368 -5.645 420 HD2 ARG 58 2HD ARG 58 -20.943 0.530 -7.156 421 HD3 ARG 58 1HD ARG 58 -21.967 1.980 -7.195 422 HE ARG 58 HE ARG 58 -19.041 2.106 -7.822 423 HH11 ARG 58 1HH2 ARG 58 -20.854 4.568 -7.572 424 HH12 ARG 58 2HH2 ARG 58 -21.181 4.901 -9.240 425 HH21 ARG 58 1HH1 ARG 58 -20.100 1.797 -10.346 426 HH22 ARG 58 2HH1 ARG 58 -20.754 3.332 -10.810 427 H HIS 59 H HIS 59 -20.130 -0.296 -1.877 428 HA HIS 59 HA HIS 59 -20.162 2.105 -0.344 429 HB2 HIS 59 2HB HIS 59 -20.941 -0.545 -0.096 430 HB3 HIS 59 1HB HIS 59 -19.693 -0.387 1.141 431 HD1 HIS 59 1HD HIS 59 -20.549 0.454 3.318 432 HD2 HIS 59 2HD HIS 59 -22.863 1.837 0.137 433 HE1 HIS 59 1HE HIS 59 -22.417 1.829 4.335 434 H GLU 60 H GLU 60 -17.533 0.145 -1.347 435 HA GLU 60 HA GLU 60 -15.747 1.404 0.711 436 HB2 GLU 60 2HB GLU 60 -15.886 -1.301 -0.609 437 HB3 GLU 60 1HB GLU 60 -14.352 -0.715 0.027 438 HG2 GLU 60 2HG GLU 60 -15.966 -0.142 2.126 439 HG3 GLU 60 1HG GLU 60 -16.801 -1.554 1.476 440 H TYR 61 H TYR 61 -13.420 1.633 -0.217 441 HA TYR 61 HA TYR 61 -13.529 2.197 -3.162 442 HB2 TYR 61 2HB TYR 61 -12.349 4.285 -2.744 443 HB3 TYR 61 1HB TYR 61 -13.804 4.240 -1.760 444 HD1 TYR 61 2HD TYR 61 -13.543 3.279 0.661 445 HD2 TYR 61 1HD TYR 61 -10.268 4.687 -1.736 446 HE1 TYR 61 2HE TYR 61 -12.169 3.554 2.704 447 HE2 TYR 61 1HE TYR 61 -8.895 4.963 0.309 448 HH TYR 61 HH TYR 61 -9.543 5.373 2.917 449 H VAL 62 H VAL 62 -11.135 2.835 -3.807 450 HA VAL 62 HA VAL 62 -9.425 0.537 -2.976 451 HB VAL 62 HB VAL 62 -9.422 2.462 -5.322 452 HG11 VAL 62 1HG1 VAL 62 -7.555 0.168 -4.650 453 HG12 VAL 62 2HG1 VAL 62 -7.118 1.864 -4.855 454 HG13 VAL 62 3HG1 VAL 62 -7.657 0.918 -6.243 455 HG21 VAL 62 3HG2 VAL 62 -10.095 -0.477 -5.003 456 HG22 VAL 62 1HG2 VAL 62 -9.919 0.321 -6.567 457 HG23 VAL 62 2HG2 VAL 62 -11.197 0.823 -5.460 458 H ASP 63 H ASP 63 -8.511 1.367 -1.060 459 HA ASP 63 HA ASP 63 -7.555 3.917 -0.453 460 HB2 ASP 63 2HB ASP 63 -5.919 1.486 0.244 461 HB3 ASP 63 1HB ASP 63 -6.353 2.851 1.267 462 H THR 64 H THR 64 -6.716 4.846 -2.420 463 HA THR 64 HA THR 64 -4.759 3.842 -4.143 464 HB THR 64 HB THR 64 -4.125 6.462 -4.046 465 HG1 THR 64 1HG THR 64 -6.430 7.254 -3.419 466 HG21 THR 64 3HG2 THR 64 -5.450 5.009 -5.765 467 HG22 THR 64 1HG2 THR 64 -5.691 6.756 -5.764 468 HG23 THR 64 2HG2 THR 64 -6.876 5.702 -4.991 469 H TYR 65 H TYR 65 -4.335 4.975 -0.853 470 HA TYR 65 HA TYR 65 -1.478 5.412 -0.989 471 HB2 TYR 65 2HB TYR 65 -3.314 6.174 0.701 472 HB3 TYR 65 1HB TYR 65 -3.017 4.617 1.473 473 HD1 TYR 65 2HD TYR 65 -1.551 7.890 0.601 474 HD2 TYR 65 1HD TYR 65 -0.896 4.121 2.556 475 HE1 TYR 65 2HE TYR 65 0.481 8.806 1.689 476 HE2 TYR 65 1HE TYR 65 1.136 5.037 3.643 477 HH TYR 65 HH TYR 65 1.797 8.194 3.936 478 H TYR 66 H TYR 66 -3.432 2.673 0.267 479 HA TYR 66 HA TYR 66 -0.981 1.067 0.635 480 HB2 TYR 66 2HB TYR 66 -3.902 0.858 1.282 481 HB3 TYR 66 1HB TYR 66 -2.892 -0.588 1.365 482 HD1 TYR 66 2HD TYR 66 -3.344 2.854 2.683 483 HD2 TYR 66 1HD TYR 66 -1.262 -0.880 3.099 484 HE1 TYR 66 2HE TYR 66 -2.457 3.592 4.878 485 HE2 TYR 66 1HE TYR 66 -0.375 -0.143 5.293 486 HH TYR 66 HH TYR 66 -0.117 1.624 6.671 487 H SER 67 H SER 67 -3.053 1.661 -1.966 488 HA SER 67 HA SER 67 -3.562 -0.830 -3.160 489 HB2 SER 67 2HB SER 67 -3.885 0.462 -5.064 490 HB3 SER 67 1HB SER 67 -3.859 1.742 -3.855 491 HG SER 67 HG SER 67 -1.702 0.820 -5.459 492 H ALA 68 H ALA 68 -0.522 0.765 -2.562 493 HA ALA 68 HA ALA 68 1.095 -0.651 -4.491 494 HB1 ALA 68 1HB ALA 68 2.898 0.385 -3.290 495 HB2 ALA 68 2HB ALA 68 1.923 0.526 -1.827 496 HB3 ALA 68 3HB ALA 68 1.554 1.524 -3.234 497 H VAL 69 H VAL 69 1.118 -0.999 -0.903 498 HA VAL 69 HA VAL 69 2.548 -3.379 -0.732 499 HB VAL 69 HB VAL 69 1.630 -1.912 1.121 500 HG11 VAL 69 1HG1 VAL 69 -0.831 -2.707 0.012 501 HG12 VAL 69 2HG1 VAL 69 -0.573 -1.730 1.456 502 HG13 VAL 69 3HG1 VAL 69 -0.730 -3.481 1.592 503 HG21 VAL 69 3HG2 VAL 69 0.839 -4.306 2.328 504 HG22 VAL 69 1HG2 VAL 69 2.468 -3.629 2.301 505 HG23 VAL 69 2HG2 VAL 69 1.971 -4.783 1.066 506 H CYS 70 H CYS 70 -0.737 -2.920 -1.860 507 HA CYS 70 HA CYS 70 -1.615 -5.664 -1.659 508 HB2 CYS 70 2HB CYS 70 -2.446 -3.101 -2.828 509 HB3 CYS 70 1HB CYS 70 -2.965 -4.495 -3.777 510 H GLY 71 H GLY 71 -0.773 -3.830 -4.625 511 HA2 GLY 71 2HA GLY 71 0.795 -4.592 -6.306 512 HA3 GLY 71 1HA GLY 71 0.698 -6.214 -5.619 513 H ARG 72 H ARG 72 -0.303 -7.577 -7.014 514 HA ARG 72 HA ARG 72 -1.838 -6.856 -9.272 515 HB2 ARG 72 2HB ARG 72 -1.486 -9.280 -7.544 516 HB3 ARG 72 1HB ARG 72 -2.752 -9.308 -8.771 517 HG2 ARG 72 2HG ARG 72 -0.397 -8.198 -9.954 518 HG3 ARG 72 1HG ARG 72 0.053 -9.693 -9.134 519 HD2 ARG 72 2HD ARG 72 -2.472 -9.994 -10.566 520 HD3 ARG 72 1HD ARG 72 -1.148 -9.520 -11.652 521 HE ARG 72 HE ARG 72 0.122 -11.464 -10.862 522 HH11 ARG 72 1HH1 ARG 72 -3.084 -11.956 -11.258 523 HH12 ARG 72 2HH1 ARG 72 -3.243 -13.277 -10.148 524 HH21 ARG 72 1HH2 ARG 72 -0.088 -12.848 -8.774 525 HH22 ARG 72 2HH2 ARG 72 -1.547 -13.781 -8.742 526 H TYR 73 H TYR 73 -2.765 -7.079 -5.908 527 HA TYR 73 HA TYR 73 -5.658 -6.864 -6.611 528 HB2 TYR 73 2HB TYR 73 -4.080 -7.478 -4.101 529 HB3 TYR 73 1HB TYR 73 -5.825 -7.226 -4.077 530 HD1 TYR 73 2HD TYR 73 -3.296 -9.120 -6.115 531 HD2 TYR 73 1HD TYR 73 -7.153 -9.126 -4.224 532 HE1 TYR 73 2HE TYR 73 -3.647 -11.467 -6.836 533 HE2 TYR 73 1HE TYR 73 -7.504 -11.472 -4.944 534 HH TYR 73 HH TYR 73 -6.233 -13.395 -5.624 535 H PHE 74 H PHE 74 -6.794 -5.362 -4.814 536 HA PHE 74 HA PHE 74 -5.247 -2.790 -4.696 537 HB2 PHE 74 2HB PHE 74 -8.230 -3.211 -5.065 538 HB3 PHE 74 1HB PHE 74 -7.372 -1.675 -5.146 539 HD1 PHE 74 1HD PHE 74 -7.351 -5.084 -6.692 540 HD2 PHE 74 2HD PHE 74 -6.660 -0.880 -7.214 541 HE1 PHE 74 1HE PHE 74 -6.935 -5.456 -9.107 542 HE2 PHE 74 2HE PHE 74 -6.242 -1.248 -9.631 543 HZ PHE 74 HZ PHE 74 -6.377 -3.538 -10.579 544 H CYS 75 H CYS 75 -5.087 -1.946 -2.646 545 HA CYS 75 HA CYS 75 -6.368 -3.326 -0.398 546 HB2 CYS 75 2HB CYS 75 -4.130 -2.498 -0.110 547 HB3 CYS 75 1HB CYS 75 -4.566 -0.914 -0.747 548 H CYS 76 H CYS 76 -8.600 -2.903 -0.259 549 HA CYS 76 HA CYS 76 -9.492 -0.091 -0.684 550 HB2 CYS 76 2HB CYS 76 -10.867 -2.767 -0.570 551 HB3 CYS 76 1HB CYS 76 -11.762 -1.254 -0.627 552 H ARG 77 H ARG 77 -11.279 0.597 0.810 553 HA ARG 77 HA ARG 77 -11.124 -0.492 3.574 554 HB2 ARG 77 2HB ARG 77 -10.135 2.185 2.615 555 HB3 ARG 77 1HB ARG 77 -10.791 2.041 4.240 556 HG2 ARG 77 2HG ARG 77 -9.086 0.636 4.953 557 HG3 ARG 77 1HG ARG 77 -8.735 0.059 3.331 558 HD2 ARG 77 2HD ARG 77 -6.938 1.504 3.606 559 HD3 ARG 77 1HD ARG 77 -8.128 2.670 2.992 560 HE ARG 77 HE ARG 77 -8.593 2.519 5.749 561 HH11 ARG 77 1HH1 ARG 77 -6.446 3.840 3.449 562 HH12 ARG 77 2HH1 ARG 77 -5.515 4.731 4.607 563 HH21 ARG 77 1HH2 ARG 77 -7.199 3.438 7.349 564 HH22 ARG 77 2HH2 ARG 77 -5.942 4.502 6.815 565 H SER 78 H SER 78 -12.558 1.306 4.929 566 HA SER 78 HA SER 78 -15.068 1.643 3.322 567 HB2 SER 78 2HB SER 78 -16.077 1.474 5.709 568 HB3 SER 78 1HB SER 78 -15.425 0.002 4.995 569 HG SER 78 HG SER 78 -14.758 0.628 7.234 570 H ARG 79 H ARG 79 -14.191 3.813 2.717 571 HA ARG 79 HA ARG 79 -13.359 5.904 4.306 572 HB2 ARG 79 2HB ARG 79 -14.633 5.499 1.783 573 HB3 ARG 79 1HB ARG 79 -15.428 6.865 2.565 574 HG2 ARG 79 2HG ARG 79 -12.775 7.361 3.107 575 HG3 ARG 79 1HG ARG 79 -12.697 6.652 1.493 576 HD2 ARG 79 2HD ARG 79 -14.463 8.277 0.747 577 HD3 ARG 79 1HD ARG 79 -14.353 9.054 2.340 578 HE ARG 79 HE ARG 79 -12.082 8.867 0.399 579 HH11 ARG 79 1HH1 ARG 79 -13.835 11.301 1.464 580 HH12 ARG 79 2HH1 ARG 79 -12.628 12.097 2.418 581 HH21 ARG 79 1HH2 ARG 79 -10.432 9.413 2.359 582 HH22 ARG 79 2HH2 ARG 79 -10.701 11.028 2.925 Start of MODEL 14 1 H1 ASN 1 1HT ASN 1 14.243 12.789 -8.907 2 H2 ASN 1 2HT ASN 1 12.793 11.957 -9.207 3 H3 ASN 1 3HT ASN 1 14.062 11.890 -10.335 4 HA ASN 1 HA ASN 1 14.377 9.880 -9.302 5 HB2 ASN 1 2HB ASN 1 15.887 12.177 -8.172 6 HB3 ASN 1 1HB ASN 1 16.068 10.643 -7.320 7 HD21 ASN 1 1HD2 ASN 1 18.336 11.563 -8.597 8 HD22 ASN 1 2HD2 ASN 1 18.638 10.664 -10.005 9 HA PRO 2 HA PRO 2 11.383 10.355 -5.791 10 HB2 PRO 2 2HB PRO 2 9.631 8.444 -6.662 11 HB3 PRO 2 1HB PRO 2 9.539 10.140 -7.172 12 HG2 PRO 2 2HG PRO 2 10.631 7.788 -8.621 13 HG3 PRO 2 1HG PRO 2 9.731 9.180 -9.242 14 HD2 PRO 2 2HD PRO 2 12.447 8.888 -9.457 15 HD3 PRO 2 1HD PRO 2 11.610 10.455 -9.463 16 H LEU 3 H LEU 3 11.675 9.090 -3.966 17 HA LEU 3 HA LEU 3 13.239 6.589 -4.238 18 HB2 LEU 3 2HB LEU 3 12.879 8.740 -2.351 19 HB3 LEU 3 1HB LEU 3 12.585 7.201 -1.542 20 HG LEU 3 HG LEU 3 14.885 7.025 -3.304 21 HD11 LEU 3 1HD1 LEU 3 15.038 9.050 -1.052 22 HD12 LEU 3 2HD1 LEU 3 15.032 9.458 -2.767 23 HD13 LEU 3 3HD1 LEU 3 16.370 8.533 -2.085 24 HD21 LEU 3 3HD2 LEU 3 13.965 5.828 -1.020 25 HD22 LEU 3 1HD2 LEU 3 15.218 6.885 -0.370 26 HD23 LEU 3 2HD2 LEU 3 15.623 5.693 -1.606 27 H ILE 4 H ILE 4 12.420 5.024 -2.202 28 HA ILE 4 HA ILE 4 10.127 3.665 -3.133 29 HB ILE 4 HB ILE 4 12.033 3.569 -0.971 30 HG12 ILE 4 2HG1 ILE 4 10.099 1.436 -1.906 31 HG13 ILE 4 1HG1 ILE 4 11.545 1.894 -2.806 32 HG21 ILE 4 1HG2 ILE 4 9.261 2.680 -0.131 33 HG22 ILE 4 2HG2 ILE 4 9.977 4.203 0.395 34 HG23 ILE 4 3HG2 ILE 4 10.734 2.674 0.838 35 HD11 ILE 4 3HD1 ILE 4 11.333 0.548 -0.128 36 HD12 ILE 4 1HD1 ILE 4 12.765 1.500 -0.518 37 HD13 ILE 4 2HD1 ILE 4 12.331 0.113 -1.516 38 HA PRO 5 HA PRO 5 6.749 5.988 -1.576 39 HB2 PRO 5 2HB PRO 5 4.938 4.011 -1.059 40 HB3 PRO 5 1HB PRO 5 5.372 4.514 -2.700 41 HG2 PRO 5 2HG PRO 5 6.252 2.137 -1.157 42 HG3 PRO 5 1HG PRO 5 5.932 2.305 -2.889 43 HD2 PRO 5 2HD PRO 5 8.443 2.276 -1.760 44 HD3 PRO 5 1HD PRO 5 8.053 3.000 -3.335 45 H ALA 6 H ALA 6 5.345 6.234 0.401 46 HA ALA 6 HA ALA 6 6.869 5.594 2.827 47 HB1 ALA 6 1HB ALA 6 5.189 7.667 1.852 48 HB2 ALA 6 2HB ALA 6 6.045 7.618 3.394 49 HB3 ALA 6 3HB ALA 6 4.399 6.994 3.278 50 H ILE 7 H ILE 7 3.881 4.654 1.247 51 HA ILE 7 HA ILE 7 2.428 3.523 3.380 52 HB ILE 7 HB ILE 7 1.496 3.710 1.177 53 HG12 ILE 7 2HG1 ILE 7 1.921 0.905 2.188 54 HG13 ILE 7 1HG1 ILE 7 0.454 1.876 2.193 55 HG21 ILE 7 1HG2 ILE 7 2.555 3.106 -0.752 56 HG22 ILE 7 2HG2 ILE 7 3.171 1.606 -0.063 57 HG23 ILE 7 3HG2 ILE 7 3.998 3.126 0.257 58 HD11 ILE 7 3HD1 ILE 7 1.769 0.575 -0.204 59 HD12 ILE 7 1HD1 ILE 7 0.418 1.702 -0.313 60 HD13 ILE 7 2HD1 ILE 7 0.212 0.158 0.512 61 H TYR 8 H TYR 8 4.879 1.931 1.326 62 HA TYR 8 HA TYR 8 4.885 -0.635 2.366 63 HB2 TYR 8 2HB TYR 8 7.073 1.230 1.436 64 HB3 TYR 8 1HB TYR 8 7.416 -0.448 1.852 65 HD1 TYR 8 2HD TYR 8 4.073 -0.109 0.679 66 HD2 TYR 8 1HD TYR 8 8.139 -0.397 -0.681 67 HE1 TYR 8 2HE TYR 8 3.273 -0.838 -1.549 68 HE2 TYR 8 1HE TYR 8 7.336 -1.124 -2.912 69 HH TYR 8 HH TYR 8 4.978 -2.377 -3.698 70 H ILE 9 H ILE 9 6.081 2.308 3.878 71 HA ILE 9 HA ILE 9 7.582 1.048 5.988 72 HB ILE 9 HB ILE 9 6.118 3.709 5.906 73 HG12 ILE 9 2HG1 ILE 9 8.938 2.963 5.062 74 HG13 ILE 9 1HG1 ILE 9 7.624 3.426 3.979 75 HG21 ILE 9 1HG2 ILE 9 7.879 2.407 7.849 76 HG22 ILE 9 2HG2 ILE 9 6.866 3.839 8.038 77 HG23 ILE 9 3HG2 ILE 9 8.480 3.985 7.342 78 HD11 ILE 9 3HD1 ILE 9 7.620 5.654 4.733 79 HD12 ILE 9 1HD1 ILE 9 9.337 5.253 4.690 80 HD13 ILE 9 2HD1 ILE 9 8.468 5.246 6.225 81 H GLY 10 H GLY 10 6.659 -0.351 7.401 82 HA2 GLY 10 2HA GLY 10 5.198 -1.106 9.091 83 HA3 GLY 10 1HA GLY 10 4.379 0.459 9.012 84 H ALA 11 H ALA 11 4.925 -1.438 6.142 85 HA ALA 11 HA ALA 11 1.952 -1.860 5.945 86 HB1 ALA 11 1HB ALA 11 3.925 -0.712 4.257 87 HB2 ALA 11 2HB ALA 11 2.216 -0.956 3.896 88 HB3 ALA 11 3HB ALA 11 3.393 -2.200 3.475 89 H THR 12 H THR 12 1.920 -3.750 3.897 90 HA THR 12 HA THR 12 3.643 -6.029 4.701 91 HB THR 12 HB THR 12 0.632 -5.933 5.076 92 HG1 THR 12 1HG THR 12 1.172 -5.519 7.043 93 HG21 THR 12 3HG2 THR 12 0.569 -8.203 5.226 94 HG22 THR 12 1HG2 THR 12 2.178 -8.302 5.941 95 HG23 THR 12 2HG2 THR 12 1.998 -8.107 4.197 96 H VAL 13 H VAL 13 4.314 -6.273 2.520 97 HA VAL 13 HA VAL 13 2.199 -6.464 0.423 98 HB VAL 13 HB VAL 13 4.032 -6.152 -1.093 99 HG11 VAL 13 1HG1 VAL 13 4.472 -4.602 1.473 100 HG12 VAL 13 2HG1 VAL 13 3.545 -4.097 0.061 101 HG13 VAL 13 3HG1 VAL 13 5.300 -4.225 -0.038 102 HG21 VAL 13 3HG2 VAL 13 5.602 -7.279 1.182 103 HG22 VAL 13 1HG2 VAL 13 6.419 -6.120 0.132 104 HG23 VAL 13 2HG2 VAL 13 5.742 -7.600 -0.547 105 H GLY 14 H GLY 14 2.387 -8.332 -1.127 106 HA2 GLY 14 2HA GLY 14 2.586 -10.848 0.313 107 HA3 GLY 14 1HA GLY 14 2.239 -10.669 -1.408 108 HA PRO 15 HA PRO 15 6.530 -12.300 -0.987 109 HB2 PRO 15 2HB PRO 15 6.214 -14.335 -2.787 110 HB3 PRO 15 1HB PRO 15 5.817 -14.500 -1.066 111 HG2 PRO 15 2HG PRO 15 4.017 -14.055 -3.388 112 HG3 PRO 15 1HG PRO 15 3.767 -15.035 -1.936 113 HD2 PRO 15 2HD PRO 15 2.671 -12.553 -2.316 114 HD3 PRO 15 1HD PRO 15 2.993 -13.264 -0.721 115 H SER 16 H SER 16 4.573 -12.159 -3.988 116 HA SER 16 HA SER 16 6.688 -11.719 -5.825 117 HB2 SER 16 2HB SER 16 3.938 -11.934 -5.848 118 HB3 SER 16 1HB SER 16 4.180 -10.253 -6.317 119 HG SER 16 HG SER 16 4.246 -11.597 -8.135 120 H VAL 17 H VAL 17 4.582 -9.265 -4.258 121 HA VAL 17 HA VAL 17 5.970 -6.979 -5.239 122 HB VAL 17 HB VAL 17 4.368 -7.486 -2.711 123 HG11 VAL 17 1HG1 VAL 17 3.985 -4.944 -2.932 124 HG12 VAL 17 2HG1 VAL 17 5.406 -4.948 -3.977 125 HG13 VAL 17 3HG1 VAL 17 5.545 -5.469 -2.297 126 HG21 VAL 17 3HG2 VAL 17 2.482 -6.782 -3.959 127 HG22 VAL 17 1HG2 VAL 17 3.356 -7.836 -5.071 128 HG23 VAL 17 2HG2 VAL 17 3.480 -6.084 -5.234 129 H TRP 18 H TRP 18 6.279 -8.653 -2.081 130 HA TRP 18 HA TRP 18 8.270 -7.154 -0.857 131 HB2 TRP 18 2HB TRP 18 7.285 -9.090 0.185 132 HB3 TRP 18 1HB TRP 18 7.878 -10.150 -1.089 133 HD1 TRP 18 HD TRP 18 10.455 -10.767 -1.100 134 HE1 TRP 18 1HE TRP 18 12.266 -10.650 0.732 135 HE3 TRP 18 3HE TRP 18 8.103 -7.741 2.276 136 HZ2 TRP 18 2HZ TRP 18 12.664 -9.435 3.290 137 HZ3 TRP 18 3HZ TRP 18 9.219 -7.121 4.400 138 HH2 TRP 18 HH TRP 18 11.495 -7.963 4.911 139 H ALA 19 H ALA 19 9.050 -10.070 -2.756 140 HA ALA 19 HA ALA 19 11.769 -9.810 -3.078 141 HB1 ALA 19 1HB ALA 19 10.524 -11.661 -3.989 142 HB2 ALA 19 2HB ALA 19 11.340 -10.884 -5.345 143 HB3 ALA 19 3HB ALA 19 9.623 -10.594 -5.067 144 H TYR 20 H TYR 20 9.301 -8.093 -4.992 145 HA TYR 20 HA TYR 20 11.059 -6.770 -6.805 146 HB2 TYR 20 2HB TYR 20 8.583 -6.943 -6.968 147 HB3 TYR 20 1HB TYR 20 8.431 -5.849 -5.595 148 HD1 TYR 20 2HD TYR 20 10.549 -5.908 -8.699 149 HD2 TYR 20 1HD TYR 20 7.800 -3.706 -6.239 150 HE1 TYR 20 2HE TYR 20 10.745 -3.961 -10.222 151 HE2 TYR 20 1HE TYR 20 7.997 -1.759 -7.762 152 HH TYR 20 HH TYR 20 8.611 -1.417 -10.236 153 H LEU 21 H LEU 21 9.434 -5.239 -4.006 154 HA LEU 21 HA LEU 21 10.794 -2.859 -3.813 155 HB2 LEU 21 2HB LEU 21 8.983 -4.024 -2.344 156 HB3 LEU 21 1HB LEU 21 10.350 -4.602 -1.395 157 HG LEU 21 HG LEU 21 9.570 -1.728 -1.941 158 HD11 LEU 21 1HD1 LEU 21 8.411 -2.226 -0.035 159 HD12 LEU 21 2HD1 LEU 21 9.979 -1.975 0.733 160 HD13 LEU 21 3HD1 LEU 21 9.437 -3.609 0.348 161 HD21 LEU 21 3HD2 LEU 21 11.918 -1.649 -2.110 162 HD22 LEU 21 1HD2 LEU 21 12.139 -2.938 -0.928 163 HD23 LEU 21 2HD2 LEU 21 11.636 -1.332 -0.399 164 H VAL 22 H VAL 22 11.959 -5.998 -2.542 165 HA VAL 22 HA VAL 22 14.344 -5.135 -1.316 166 HB VAL 22 HB VAL 22 13.723 -7.649 -2.895 167 HG11 VAL 22 1HG1 VAL 22 16.025 -6.815 -1.185 168 HG12 VAL 22 2HG1 VAL 22 15.999 -7.877 -2.592 169 HG13 VAL 22 3HG1 VAL 22 15.451 -8.474 -1.026 170 HG21 VAL 22 3HG2 VAL 22 13.695 -7.437 0.096 171 HG22 VAL 22 1HG2 VAL 22 12.765 -8.504 -0.958 172 HG23 VAL 22 2HG2 VAL 22 12.317 -6.805 -0.806 173 H ALA 23 H ALA 23 13.875 -6.190 -4.694 174 HA ALA 23 HA ALA 23 16.512 -5.829 -5.628 175 HB1 ALA 23 1HB ALA 23 13.894 -6.312 -6.633 176 HB2 ALA 23 2HB ALA 23 15.426 -6.548 -7.472 177 HB3 ALA 23 3HB ALA 23 14.582 -5.004 -7.595 178 H LEU 24 H LEU 24 13.880 -3.457 -5.285 179 HA LEU 24 HA LEU 24 15.117 -1.255 -6.584 180 HB2 LEU 24 2HB LEU 24 12.729 -1.764 -5.512 181 HB3 LEU 24 1HB LEU 24 13.429 -0.909 -4.138 182 HG LEU 24 HG LEU 24 14.088 0.926 -5.788 183 HD11 LEU 24 1HD1 LEU 24 12.865 0.988 -7.904 184 HD12 LEU 24 2HD1 LEU 24 12.073 -0.541 -7.518 185 HD13 LEU 24 3HD1 LEU 24 13.810 -0.499 -7.818 186 HD21 LEU 24 3HD2 LEU 24 11.203 0.998 -6.019 187 HD22 LEU 24 1HD2 LEU 24 12.254 1.963 -4.983 188 HD23 LEU 24 2HD2 LEU 24 11.670 0.393 -4.431 189 H VAL 25 H VAL 25 15.176 -2.239 -3.145 190 HA VAL 25 HA VAL 25 17.539 -0.428 -2.774 191 HB VAL 25 HB VAL 25 15.859 0.517 -1.457 192 HG11 VAL 25 1HG1 VAL 25 14.401 -1.188 -0.007 193 HG12 VAL 25 2HG1 VAL 25 14.816 -2.277 -1.331 194 HG13 VAL 25 3HG1 VAL 25 13.963 -0.771 -1.664 195 HG21 VAL 25 3HG2 VAL 25 16.393 -1.332 0.741 196 HG22 VAL 25 1HG2 VAL 25 16.798 0.377 0.586 197 HG23 VAL 25 2HG2 VAL 25 17.860 -0.846 -0.108 198 H GLY 26 H GLY 26 16.337 -2.788 -0.435 199 HA2 GLY 26 2HA GLY 26 17.974 -4.994 -1.096 200 HA3 GLY 26 1HA GLY 26 18.910 -3.946 -0.028 201 H ALA 27 H ALA 27 18.305 -6.427 0.929 202 HA ALA 27 HA ALA 27 15.821 -6.676 2.317 203 HB1 ALA 27 1HB ALA 27 17.830 -8.311 1.748 204 HB2 ALA 27 2HB ALA 27 16.816 -8.606 3.161 205 HB3 ALA 27 3HB ALA 27 18.388 -7.830 3.350 206 H ALA 28 H ALA 28 18.714 -4.853 3.040 207 HA ALA 28 HA ALA 28 18.323 -4.627 5.885 208 HB1 ALA 28 1HB ALA 28 19.642 -2.358 4.670 209 HB2 ALA 28 2HB ALA 28 20.169 -3.848 3.887 210 HB3 ALA 28 3HB ALA 28 20.351 -3.656 5.631 211 H ALA 29 H ALA 29 17.852 -2.164 3.323 212 HA ALA 29 HA ALA 29 16.314 -0.387 4.965 213 HB1 ALA 29 1HB ALA 29 16.547 0.864 3.087 214 HB2 ALA 29 2HB ALA 29 15.654 -0.316 2.129 215 HB3 ALA 29 3HB ALA 29 17.391 -0.508 2.369 216 H VAL 30 H VAL 30 15.491 -3.250 3.118 217 HA VAL 30 HA VAL 30 12.636 -2.796 2.995 218 HB VAL 30 HB VAL 30 14.487 -5.177 2.750 219 HG11 VAL 30 1HG1 VAL 30 12.060 -5.931 1.637 220 HG12 VAL 30 2HG1 VAL 30 11.581 -5.129 3.133 221 HG13 VAL 30 3HG1 VAL 30 12.697 -6.494 3.182 222 HG21 VAL 30 3HG2 VAL 30 13.942 -3.131 1.025 223 HG22 VAL 30 1HG2 VAL 30 12.710 -4.300 0.551 224 HG23 VAL 30 2HG2 VAL 30 14.415 -4.750 0.509 225 H THR 31 H THR 31 14.828 -4.342 5.319 226 HA THR 31 HA THR 31 12.605 -5.335 6.983 227 HB THR 31 HB THR 31 15.574 -5.166 7.575 228 HG1 THR 31 1HG THR 31 14.066 -6.982 6.028 229 HG21 THR 31 3HG2 THR 31 13.373 -7.030 8.507 230 HG22 THR 31 1HG2 THR 31 14.164 -5.787 9.476 231 HG23 THR 31 2HG2 THR 31 15.079 -7.191 8.925 232 H ALA 32 H ALA 32 14.568 -2.482 6.717 233 HA ALA 32 HA ALA 32 14.105 -1.584 9.482 234 HB1 ALA 32 1HB ALA 32 16.018 -1.145 7.603 235 HB2 ALA 32 2HB ALA 32 15.706 -0.030 8.934 236 HB3 ALA 32 3HB ALA 32 15.004 0.275 7.345 237 H ALA 33 H ALA 33 12.536 -1.352 6.393 238 HA ALA 33 HA ALA 33 10.934 1.017 7.150 239 HB1 ALA 33 1HB ALA 33 9.977 0.589 4.859 240 HB2 ALA 33 2HB ALA 33 11.008 -0.837 4.747 241 HB3 ALA 33 3HB ALA 33 11.731 0.767 4.861 242 H ASN 34 H ASN 34 10.782 -1.680 8.582 243 HA ASN 34 HA ASN 34 9.121 -3.210 9.313 244 HB2 ASN 34 2HB ASN 34 8.626 -0.969 10.319 245 HB3 ASN 34 1HB ASN 34 7.516 -0.656 8.987 246 HD21 ASN 34 1HD2 ASN 34 6.908 -1.005 11.929 247 HD22 ASN 34 2HD2 ASN 34 5.779 -2.271 12.000 248 H ILE 35 H ILE 35 9.247 -4.287 7.096 249 HA ILE 35 HA ILE 35 6.672 -3.933 5.591 250 HB ILE 35 HB ILE 35 9.412 -4.894 4.696 251 HG12 ILE 35 2HG1 ILE 35 7.869 -2.318 4.293 252 HG13 ILE 35 1HG1 ILE 35 9.462 -2.516 5.022 253 HG21 ILE 35 1HG2 ILE 35 6.983 -4.300 2.989 254 HG22 ILE 35 2HG2 ILE 35 7.376 -5.924 3.555 255 HG23 ILE 35 3HG2 ILE 35 8.491 -5.066 2.490 256 HD11 ILE 35 3HD1 ILE 35 8.796 -2.139 2.250 257 HD12 ILE 35 1HD1 ILE 35 9.595 -3.698 2.447 258 HD13 ILE 35 2HD1 ILE 35 10.391 -2.222 2.996 259 H ARG 36 H ARG 36 5.316 -5.644 5.947 260 HA ARG 36 HA ARG 36 6.460 -8.223 6.895 261 HB2 ARG 36 2HB ARG 36 3.586 -7.270 6.704 262 HB3 ARG 36 1HB ARG 36 4.186 -8.632 7.648 263 HG2 ARG 36 2HG ARG 36 5.531 -6.062 8.208 264 HG3 ARG 36 1HG ARG 36 3.826 -6.116 8.655 265 HD2 ARG 36 2HD ARG 36 4.419 -8.416 9.746 266 HD3 ARG 36 1HD ARG 36 6.091 -7.821 9.676 267 HE ARG 36 HE ARG 36 5.206 -5.748 10.878 268 HH11 ARG 36 1HH1 ARG 36 2.510 -7.562 10.574 269 HH12 ARG 36 2HH1 ARG 36 2.200 -7.784 12.264 270 HH21 ARG 36 1HH2 ARG 36 5.285 -6.555 13.263 271 HH22 ARG 36 2HH2 ARG 36 3.770 -7.214 13.786 272 H ARG 37 H ARG 37 6.024 -10.179 5.800 273 HA ARG 37 HA ARG 37 5.198 -9.877 2.948 274 HB2 ARG 37 2HB ARG 37 6.873 -11.774 4.574 275 HB3 ARG 37 1HB ARG 37 6.213 -12.315 3.030 276 HG2 ARG 37 2HG ARG 37 7.212 -10.252 1.974 277 HG3 ARG 37 1HG ARG 37 8.022 -9.933 3.509 278 HD2 ARG 37 2HD ARG 37 9.694 -11.196 2.552 279 HD3 ARG 37 1HD ARG 37 8.703 -12.550 3.129 280 HE ARG 37 HE ARG 37 8.063 -11.419 0.458 281 HH11 ARG 37 1HH2 ARG 37 6.988 -14.042 1.460 282 HH12 ARG 37 2HH2 ARG 37 8.007 -15.181 0.645 283 HH21 ARG 37 1HH1 ARG 37 10.418 -12.832 -0.187 284 HH22 ARG 37 2HH1 ARG 37 9.948 -14.496 -0.287 285 H ALA 38 H ALA 38 3.336 -10.889 2.218 286 HA ALA 38 HA ALA 38 1.761 -12.439 4.237 287 HB1 ALA 38 1HB ALA 38 0.556 -11.323 1.750 288 HB2 ALA 38 2HB ALA 38 1.132 -10.159 2.943 289 HB3 ALA 38 3HB ALA 38 -0.088 -11.351 3.392 290 H SER 39 H SER 39 0.502 -14.277 3.369 291 HA SER 39 HA SER 39 1.937 -16.181 1.923 292 HB2 SER 39 2HB SER 39 -0.559 -15.913 3.108 293 HB3 SER 39 1HB SER 39 -0.954 -16.238 1.423 294 HG SER 39 HG SER 39 -0.646 -18.222 2.178 295 H SER 40 H SER 40 0.104 -13.462 0.678 296 HA SER 40 HA SER 40 1.178 -13.942 -2.019 297 HB2 SER 40 2HB SER 40 -1.797 -13.722 -1.859 298 HB3 SER 40 1HB SER 40 -0.802 -14.581 -3.031 299 HG SER 40 HG SER 40 -2.059 -15.761 -1.250 300 H ASP 41 H ASP 41 -0.079 -12.190 -3.530 301 HA ASP 41 HA ASP 41 0.622 -9.602 -2.552 302 HB2 ASP 41 2HB ASP 41 -1.147 -10.614 -4.796 303 HB3 ASP 41 1HB ASP 41 -0.727 -8.912 -4.604 304 H ASN 42 H ASN 42 -2.200 -11.527 -2.036 305 HA ASN 42 HA ASN 42 -3.939 -9.217 -1.407 306 HB2 ASN 42 2HB ASN 42 -4.840 -11.169 -2.564 307 HB3 ASN 42 1HB ASN 42 -4.275 -12.231 -1.273 308 HD21 ASN 42 1HD2 ASN 42 -7.113 -11.428 -2.283 309 HD22 ASN 42 2HD2 ASN 42 -7.930 -11.008 -0.856 310 H HIS 43 H HIS 43 -3.394 -8.251 0.548 311 HA HIS 43 HA HIS 43 -3.377 -10.000 2.958 312 HB2 HIS 43 2HB HIS 43 -1.396 -8.431 3.686 313 HB3 HIS 43 1HB HIS 43 -1.073 -9.799 2.627 314 HD1 HIS 43 1HD HIS 43 -1.384 -6.037 2.594 315 HD2 HIS 43 2HD HIS 43 -0.298 -9.114 0.001 316 HE1 HIS 43 1HE HIS 43 -0.279 -4.930 0.592 317 H SER 44 H SER 44 -3.318 -8.474 4.978 318 HA SER 44 HA SER 44 -5.538 -6.589 4.718 319 HB2 SER 44 2HB SER 44 -4.793 -6.309 7.238 320 HB3 SER 44 1HB SER 44 -5.535 -7.815 6.710 321 HG SER 44 HG SER 44 -3.084 -7.389 7.700 322 H CYS 45 H CYS 45 -5.320 -4.393 4.418 323 HA CYS 45 HA CYS 45 -2.593 -3.214 4.839 324 HB2 CYS 45 2HB CYS 45 -3.342 -1.673 2.938 325 HB3 CYS 45 1HB CYS 45 -3.029 -3.346 2.501 326 H ALA 46 H ALA 46 -2.910 -0.661 4.876 327 HA ALA 46 HA ALA 46 -3.630 1.112 6.282 328 HB1 ALA 46 1HB ALA 46 -5.446 0.646 4.465 329 HB2 ALA 46 2HB ALA 46 -5.891 1.653 5.843 330 HB3 ALA 46 3HB ALA 46 -6.376 -0.042 5.796 331 H GLY 47 H GLY 47 -2.864 -1.258 7.684 332 HA2 GLY 47 2HA GLY 47 -3.015 -2.142 9.855 333 HA3 GLY 47 1HA GLY 47 -4.114 -0.813 10.235 334 H ASN 48 H ASN 48 -5.520 -2.289 11.397 335 HA ASN 48 HA ASN 48 -6.741 -4.522 9.953 336 HB2 ASN 48 2HB ASN 48 -7.351 -3.249 12.638 337 HB3 ASN 48 1HB ASN 48 -7.902 -4.836 12.097 338 HD21 ASN 48 1HD2 ASN 48 -6.697 -5.836 13.918 339 HD22 ASN 48 2HD2 ASN 48 -5.009 -6.002 13.833 340 H ARG 49 H ARG 49 -7.173 -1.983 8.661 341 HA ARG 49 HA ARG 49 -10.080 -1.524 9.186 342 HB2 ARG 49 2HB ARG 49 -7.778 0.230 8.344 343 HB3 ARG 49 1HB ARG 49 -9.446 0.731 8.089 344 HG2 ARG 49 2HG ARG 49 -9.387 -0.203 10.727 345 HG3 ARG 49 1HG ARG 49 -7.893 0.715 10.545 346 HD2 ARG 49 2HD ARG 49 -10.059 2.146 9.271 347 HD3 ARG 49 1HD ARG 49 -10.480 1.776 10.956 348 HE ARG 49 HE ARG 49 -7.900 3.090 10.176 349 HH11 ARG 49 1HH1 ARG 49 -9.775 1.922 12.723 350 HH12 ARG 49 2HH1 ARG 49 -9.606 3.331 13.717 351 HH21 ARG 49 1HH2 ARG 49 -8.012 5.194 11.265 352 HH22 ARG 49 2HH2 ARG 49 -8.607 5.183 12.891 353 H GLY 50 H GLY 50 -7.582 -1.874 6.664 354 HA2 GLY 50 2HA GLY 50 -9.819 -2.311 4.718 355 HA3 GLY 50 1HA GLY 50 -8.323 -1.500 4.261 356 H TRP 51 H TRP 51 -9.134 -3.724 2.844 357 HA TRP 51 HA TRP 51 -7.062 -5.742 3.635 358 HB2 TRP 51 2HB TRP 51 -9.987 -5.978 3.286 359 HB3 TRP 51 1HB TRP 51 -9.053 -7.214 2.446 360 HD1 TRP 51 HD TRP 51 -10.479 -6.455 5.726 361 HE1 TRP 51 1HE TRP 51 -9.494 -7.997 7.542 362 HE3 TRP 51 3HE TRP 51 -6.505 -8.398 3.175 363 HZ2 TRP 51 2HZ TRP 51 -7.309 -9.813 7.870 364 HZ3 TRP 51 3HZ TRP 51 -4.988 -10.027 4.263 365 HH2 TRP 51 HH TRP 51 -5.385 -10.738 6.605 366 H CYS 52 H CYS 52 -6.628 -7.225 1.627 367 HA CYS 52 HA CYS 52 -6.540 -5.456 -0.779 368 HB2 CYS 52 2HB CYS 52 -4.503 -6.518 0.446 369 HB3 CYS 52 1HB CYS 52 -5.011 -8.016 -0.337 370 H ARG 53 H ARG 53 -8.214 -5.895 -2.153 371 HA ARG 53 HA ARG 53 -8.820 -8.775 -2.758 372 HB2 ARG 53 2HB ARG 53 -10.786 -6.467 -2.753 373 HB3 ARG 53 1HB ARG 53 -11.156 -8.184 -2.812 374 HG2 ARG 53 2HG ARG 53 -11.113 -8.355 -0.570 375 HG3 ARG 53 1HG ARG 53 -9.554 -7.535 -0.476 376 HD2 ARG 53 2HD ARG 53 -10.634 -5.357 -0.616 377 HD3 ARG 53 1HD ARG 53 -12.216 -6.122 -0.847 378 HE ARG 53 HE ARG 53 -10.664 -6.821 1.593 379 HH11 ARG 53 1HH2 ARG 53 -13.701 -6.985 0.458 380 HH12 ARG 53 2HH2 ARG 53 -14.467 -6.069 1.711 381 HH21 ARG 53 1HH1 ARG 53 -11.489 -4.899 3.044 382 HH22 ARG 53 2HH1 ARG 53 -13.215 -4.889 3.176 383 H SER 54 H SER 54 -9.137 -9.198 -5.007 384 HA SER 54 HA SER 54 -7.859 -7.675 -6.962 385 HB2 SER 54 2HB SER 54 -10.275 -9.496 -7.016 386 HB3 SER 54 1HB SER 54 -9.574 -8.850 -8.495 387 HG SER 54 HG SER 54 -8.407 -10.545 -6.556 388 H LYS 55 H LYS 55 -11.195 -7.447 -5.818 389 HA LYS 55 HA LYS 55 -11.388 -4.707 -6.978 390 HB2 LYS 55 2HB LYS 55 -12.755 -5.685 -8.520 391 HB3 LYS 55 1HB LYS 55 -12.841 -7.184 -7.609 392 HG2 LYS 55 2HG LYS 55 -14.491 -6.079 -6.072 393 HG3 LYS 55 1HG LYS 55 -14.503 -4.690 -7.162 394 HD2 LYS 55 2HD LYS 55 -15.377 -6.006 -8.969 395 HD3 LYS 55 1HD LYS 55 -15.103 -7.509 -8.088 396 HE2 LYS 55 2HE LYS 55 -17.330 -7.266 -7.553 397 HE3 LYS 55 1HE LYS 55 -16.693 -6.169 -6.311 398 HZ1 LYS 55 3HZ LYS 55 -17.917 -5.536 -8.897 399 HZ2 LYS 55 1HZ LYS 55 -16.675 -4.521 -8.342 400 HZ3 LYS 55 2HZ LYS 55 -18.075 -4.740 -7.403 401 H CYS 56 H CYS 56 -13.307 -3.532 -5.845 402 HA CYS 56 HA CYS 56 -13.509 -4.494 -3.006 403 HB2 CYS 56 2HB CYS 56 -13.752 -1.641 -3.975 404 HB3 CYS 56 1HB CYS 56 -13.420 -2.202 -2.342 405 H PHE 57 H PHE 57 -15.551 -3.468 -1.920 406 HA PHE 57 HA PHE 57 -17.884 -4.268 -3.497 407 HB2 PHE 57 2HB PHE 57 -17.211 -3.430 -0.713 408 HB3 PHE 57 1HB PHE 57 -18.888 -3.248 -1.220 409 HD1 PHE 57 1HD PHE 57 -16.084 -5.714 -1.083 410 HD2 PHE 57 2HD PHE 57 -20.331 -5.110 -1.304 411 HE1 PHE 57 1HE PHE 57 -16.447 -8.148 -0.770 412 HE2 PHE 57 2HE PHE 57 -20.693 -7.543 -0.991 413 HZ PHE 57 HZ PHE 57 -18.751 -9.062 -0.724 414 H ARG 58 H ARG 58 -19.851 -2.519 -2.849 415 HA ARG 58 HA ARG 58 -19.190 -0.168 -4.468 416 HB2 ARG 58 2HB ARG 58 -21.298 -1.765 -4.439 417 HB3 ARG 58 1HB ARG 58 -21.834 -0.684 -3.151 418 HG2 ARG 58 2HG ARG 58 -21.124 1.197 -4.871 419 HG3 ARG 58 1HG ARG 58 -21.369 -0.093 -6.048 420 HD2 ARG 58 2HD ARG 58 -23.651 -0.184 -5.678 421 HD3 ARG 58 1HD ARG 58 -23.495 0.305 -3.979 422 HE ARG 58 HE ARG 58 -22.580 2.483 -5.510 423 HH11 ARG 58 1HH1 ARG 58 -24.757 1.704 -7.389 424 HH12 ARG 58 2HH1 ARG 58 -26.124 2.552 -6.746 425 HH21 ARG 58 1HH2 ARG 58 -24.646 3.133 -3.663 426 HH22 ARG 58 2HH2 ARG 58 -26.061 3.361 -4.636 427 H HIS 59 H HIS 59 -20.331 -0.884 -1.182 428 HA HIS 59 HA HIS 59 -20.481 1.880 -0.339 429 HB2 HIS 59 2HB HIS 59 -21.711 0.009 0.698 430 HB3 HIS 59 1HB HIS 59 -20.184 -0.722 1.196 431 HD1 HIS 59 1HD HIS 59 -20.698 2.993 1.390 432 HD2 HIS 59 2HD HIS 59 -20.690 -0.285 3.966 433 HE1 HIS 59 1HE HIS 59 -20.697 3.931 3.742 434 H GLU 60 H GLU 60 -17.804 0.039 -1.168 435 HA GLU 60 HA GLU 60 -16.063 1.546 0.759 436 HB2 GLU 60 2HB GLU 60 -16.115 -1.259 -0.274 437 HB3 GLU 60 1HB GLU 60 -14.538 -0.537 0.041 438 HG2 GLU 60 2HG GLU 60 -15.583 0.176 2.321 439 HG3 GLU 60 1HG GLU 60 -16.784 -1.067 1.973 440 H TYR 61 H TYR 61 -13.643 1.244 -0.392 441 HA TYR 61 HA TYR 61 -13.825 1.882 -3.285 442 HB2 TYR 61 2HB TYR 61 -12.799 4.054 -3.004 443 HB3 TYR 61 1HB TYR 61 -14.183 3.987 -1.919 444 HD1 TYR 61 2HD TYR 61 -13.567 2.865 0.471 445 HD2 TYR 61 1HD TYR 61 -10.811 4.926 -2.104 446 HE1 TYR 61 2HE TYR 61 -12.102 3.318 2.414 447 HE2 TYR 61 1HE TYR 61 -9.353 5.386 -0.151 448 HH TYR 61 HH TYR 61 -9.960 3.946 2.988 449 H VAL 62 H VAL 62 -11.247 2.860 -3.569 450 HA VAL 62 HA VAL 62 -9.556 0.592 -2.562 451 HB VAL 62 HB VAL 62 -9.643 2.094 -5.198 452 HG11 VAL 62 1HG1 VAL 62 -7.777 0.429 -5.805 453 HG12 VAL 62 2HG1 VAL 62 -7.573 0.206 -4.068 454 HG13 VAL 62 3HG1 VAL 62 -7.321 1.795 -4.788 455 HG21 VAL 62 3HG2 VAL 62 -10.420 0.102 -6.130 456 HG22 VAL 62 1HG2 VAL 62 -11.184 0.053 -4.541 457 HG23 VAL 62 2HG2 VAL 62 -9.724 -0.887 -4.846 458 H ASP 63 H ASP 63 -8.690 1.816 -0.768 459 HA ASP 63 HA ASP 63 -7.881 4.503 -0.777 460 HB2 ASP 63 2HB ASP 63 -6.179 3.605 0.955 461 HB3 ASP 63 1HB ASP 63 -7.887 3.303 1.268 462 H THR 64 H THR 64 -6.982 4.994 -2.825 463 HA THR 64 HA THR 64 -4.987 3.780 -4.301 464 HB THR 64 HB THR 64 -4.238 6.390 -4.447 465 HG1 THR 64 1HG THR 64 -5.517 6.997 -2.703 466 HG21 THR 64 3HG2 THR 64 -6.717 6.347 -5.743 467 HG22 THR 64 1HG2 THR 64 -6.199 4.661 -5.708 468 HG23 THR 64 2HG2 THR 64 -5.162 5.887 -6.436 469 H TYR 65 H TYR 65 -4.610 5.274 -1.150 470 HA TYR 65 HA TYR 65 -1.767 5.653 -1.176 471 HB2 TYR 65 2HB TYR 65 -3.633 6.488 0.412 472 HB3 TYR 65 1HB TYR 65 -3.444 4.938 1.228 473 HD1 TYR 65 2HD TYR 65 -1.118 4.262 2.039 474 HD2 TYR 65 1HD TYR 65 -2.098 8.256 0.802 475 HE1 TYR 65 2HE TYR 65 0.878 5.121 3.234 476 HE2 TYR 65 1HE TYR 65 -0.101 9.116 1.996 477 HH TYR 65 HH TYR 65 2.385 7.133 3.082 478 H TYR 66 H TYR 66 -3.735 2.955 0.154 479 HA TYR 66 HA TYR 66 -1.298 1.399 0.677 480 HB2 TYR 66 2HB TYR 66 -4.199 1.277 1.280 481 HB3 TYR 66 1HB TYR 66 -3.330 -0.260 1.266 482 HD1 TYR 66 2HD TYR 66 -1.187 -0.465 2.646 483 HD2 TYR 66 1HD TYR 66 -3.950 2.794 3.087 484 HE1 TYR 66 2HE TYR 66 -0.208 0.066 4.861 485 HE2 TYR 66 1HE TYR 66 -2.970 3.326 5.300 486 HH TYR 66 HH TYR 66 -0.072 1.720 6.461 487 H SER 67 H SER 67 -3.240 1.841 -2.051 488 HA SER 67 HA SER 67 -3.556 -0.748 -3.162 489 HB2 SER 67 2HB SER 67 -4.496 1.228 -4.178 490 HB3 SER 67 1HB SER 67 -2.907 1.966 -4.350 491 HG SER 67 HG SER 67 -3.785 -0.427 -5.609 492 H ALA 68 H ALA 68 -0.673 1.055 -2.497 493 HA ALA 68 HA ALA 68 1.076 -0.108 -4.474 494 HB1 ALA 68 1HB ALA 68 2.729 0.663 -2.507 495 HB2 ALA 68 2HB ALA 68 1.263 1.468 -1.950 496 HB3 ALA 68 3HB ALA 68 1.913 1.829 -3.548 497 H VAL 69 H VAL 69 0.573 -0.890 -0.991 498 HA VAL 69 HA VAL 69 2.385 -3.137 -1.029 499 HB VAL 69 HB VAL 69 1.592 -1.814 0.976 500 HG11 VAL 69 1HG1 VAL 69 -0.707 -1.552 0.767 501 HG12 VAL 69 2HG1 VAL 69 -0.595 -2.855 1.949 502 HG13 VAL 69 3HG1 VAL 69 -0.950 -3.224 0.264 503 HG21 VAL 69 3HG2 VAL 69 1.908 -4.684 0.723 504 HG22 VAL 69 1HG2 VAL 69 0.885 -4.268 2.096 505 HG23 VAL 69 2HG2 VAL 69 2.515 -3.604 1.976 506 H CYS 70 H CYS 70 -0.996 -2.694 -1.830 507 HA CYS 70 HA CYS 70 -1.874 -5.409 -1.734 508 HB2 CYS 70 2HB CYS 70 -2.704 -2.823 -2.742 509 HB3 CYS 70 1HB CYS 70 -3.120 -4.092 -3.895 510 H GLY 71 H GLY 71 -0.645 -3.516 -4.525 511 HA2 GLY 71 2HA GLY 71 0.834 -4.329 -6.223 512 HA3 GLY 71 1HA GLY 71 0.622 -5.963 -5.591 513 H ARG 72 H ARG 72 -0.406 -7.235 -7.045 514 HA ARG 72 HA ARG 72 -1.777 -6.386 -9.358 515 HB2 ARG 72 2HB ARG 72 -1.294 -8.806 -7.821 516 HB3 ARG 72 1HB ARG 72 -2.903 -8.831 -8.545 517 HG2 ARG 72 2HG ARG 72 -2.090 -8.869 -10.690 518 HG3 ARG 72 1HG ARG 72 -0.682 -7.886 -10.283 519 HD2 ARG 72 2HD ARG 72 0.487 -9.843 -10.393 520 HD3 ARG 72 1HD ARG 72 -0.259 -10.221 -8.828 521 HE ARG 72 HE ARG 72 -1.666 -11.747 -9.950 522 HH11 ARG 72 1HH2 ARG 72 0.520 -11.078 -12.213 523 HH12 ARG 72 2HH2 ARG 72 -0.540 -11.064 -13.583 524 HH21 ARG 72 1HH1 ARG 72 -3.436 -11.012 -11.675 525 HH22 ARG 72 2HH1 ARG 72 -2.781 -11.027 -13.278 526 H TYR 73 H TYR 73 -3.080 -7.195 -6.136 527 HA TYR 73 HA TYR 73 -5.830 -6.515 -6.957 528 HB2 TYR 73 2HB TYR 73 -4.549 -7.213 -4.292 529 HB3 TYR 73 1HB TYR 73 -6.283 -7.093 -4.574 530 HD1 TYR 73 2HD TYR 73 -5.916 -8.273 -7.522 531 HD2 TYR 73 1HD TYR 73 -4.795 -9.563 -3.582 532 HE1 TYR 73 2HE TYR 73 -5.955 -10.630 -8.282 533 HE2 TYR 73 1HE TYR 73 -4.834 -11.921 -4.341 534 HH TYR 73 HH TYR 73 -6.280 -13.108 -6.570 535 H PHE 74 H PHE 74 -6.953 -5.055 -5.114 536 HA PHE 74 HA PHE 74 -5.263 -2.595 -4.784 537 HB2 PHE 74 2HB PHE 74 -8.269 -2.769 -5.143 538 HB3 PHE 74 1HB PHE 74 -7.267 -1.322 -5.231 539 HD1 PHE 74 1HD PHE 74 -4.953 -2.429 -6.804 540 HD2 PHE 74 2HD PHE 74 -9.196 -2.840 -7.314 541 HE1 PHE 74 1HE PHE 74 -4.627 -2.808 -9.234 542 HE2 PHE 74 2HE PHE 74 -8.874 -3.220 -9.742 543 HZ PHE 74 HZ PHE 74 -6.586 -3.205 -10.704 544 H CYS 75 H CYS 75 -5.378 -1.618 -2.729 545 HA CYS 75 HA CYS 75 -6.411 -3.285 -0.556 546 HB2 CYS 75 2HB CYS 75 -4.335 -2.121 -0.246 547 HB3 CYS 75 1HB CYS 75 -5.034 -0.595 -0.785 548 H CYS 76 H CYS 76 -8.691 -3.286 -0.620 549 HA CYS 76 HA CYS 76 -10.185 -0.826 -1.091 550 HB2 CYS 76 2HB CYS 76 -11.143 -3.475 0.007 551 HB3 CYS 76 1HB CYS 76 -12.090 -2.284 -0.874 552 H ARG 77 H ARG 77 -11.753 -0.002 0.529 553 HA ARG 77 HA ARG 77 -11.242 -0.604 3.371 554 HB2 ARG 77 2HB ARG 77 -9.910 1.498 1.868 555 HB3 ARG 77 1HB ARG 77 -10.855 2.177 3.190 556 HG2 ARG 77 2HG ARG 77 -9.736 0.172 4.541 557 HG3 ARG 77 1HG ARG 77 -8.502 0.344 3.291 558 HD2 ARG 77 2HD ARG 77 -7.921 1.800 5.173 559 HD3 ARG 77 1HD ARG 77 -8.427 2.819 3.813 560 HE ARG 77 HE ARG 77 -10.780 2.225 5.206 561 HH11 ARG 77 1HH2 ARG 77 -7.738 3.174 6.423 562 HH12 ARG 77 2HH2 ARG 77 -8.359 4.483 7.371 563 HH21 ARG 77 1HH1 ARG 77 -11.601 4.156 6.187 564 HH22 ARG 77 2HH1 ARG 77 -10.545 5.039 7.238 565 H SER 78 H SER 78 -12.466 1.339 4.650 566 HA SER 78 HA SER 78 -15.100 1.716 3.262 567 HB2 SER 78 2HB SER 78 -14.279 0.594 5.822 568 HB3 SER 78 1HB SER 78 -15.461 1.882 6.036 569 HG SER 78 HG SER 78 -15.666 -0.469 4.465 570 H ARG 79 H ARG 79 -14.277 3.822 2.472 571 HA ARG 79 HA ARG 79 -13.159 5.937 3.843 572 HB2 ARG 79 2HB ARG 79 -13.859 5.925 1.475 573 HB3 ARG 79 1HB ARG 79 -15.550 5.985 1.972 574 HG2 ARG 79 2HG ARG 79 -14.560 8.107 3.355 575 HG3 ARG 79 1HG ARG 79 -13.518 8.138 1.932 576 HD2 ARG 79 2HD ARG 79 -15.956 7.714 0.763 577 HD3 ARG 79 1HD ARG 79 -16.407 8.730 2.147 578 HE ARG 79 HE ARG 79 -15.347 10.503 1.018 579 HH11 ARG 79 1HH2 ARG 79 -14.890 8.031 -1.065 580 HH12 ARG 79 2HH2 ARG 79 -13.294 8.468 -1.579 581 HH21 ARG 79 1HH1 ARG 79 -12.855 10.842 0.910 582 HH22 ARG 79 2HH1 ARG 79 -12.142 10.059 -0.461 Start of MODEL 15 1 H1 ASN 1 1HT ASN 1 20.397 7.615 -6.232 2 H2 ASN 1 2HT ASN 1 20.618 5.997 -5.765 3 H3 ASN 1 3HT ASN 1 21.481 7.234 -4.984 4 HA ASN 1 HA ASN 1 19.745 6.635 -3.506 5 HB2 ASN 1 2HB ASN 1 18.658 8.801 -3.381 6 HB3 ASN 1 1HB ASN 1 20.293 9.053 -3.994 7 HD21 ASN 1 1HD2 ASN 1 20.540 9.575 -6.294 8 HD22 ASN 1 2HD2 ASN 1 19.216 10.099 -7.220 9 HA PRO 2 HA PRO 2 16.457 4.589 -5.747 10 HB2 PRO 2 2HB PRO 2 15.261 3.495 -3.542 11 HB3 PRO 2 1HB PRO 2 16.726 2.819 -4.283 12 HG2 PRO 2 2HG PRO 2 16.444 4.526 -1.863 13 HG3 PRO 2 1HG PRO 2 17.532 3.162 -2.163 14 HD2 PRO 2 2HD PRO 2 18.313 5.774 -2.297 15 HD3 PRO 2 1HD PRO 2 19.087 4.466 -3.218 16 H LEU 3 H LEU 3 13.911 4.329 -4.568 17 HA LEU 3 HA LEU 3 13.031 6.948 -3.578 18 HB2 LEU 3 2HB LEU 3 11.874 7.622 -5.538 19 HB3 LEU 3 1HB LEU 3 13.432 7.049 -6.125 20 HG LEU 3 HG LEU 3 10.767 5.622 -6.222 21 HD11 LEU 3 1HD1 LEU 3 10.896 6.683 -8.235 22 HD12 LEU 3 2HD1 LEU 3 11.970 5.344 -8.644 23 HD13 LEU 3 3HD1 LEU 3 12.644 6.890 -8.127 24 HD21 LEU 3 3HD2 LEU 3 12.244 3.902 -5.495 25 HD22 LEU 3 1HD2 LEU 3 13.572 4.522 -6.476 26 HD23 LEU 3 2HD2 LEU 3 12.194 3.739 -7.249 27 H ILE 4 H ILE 4 12.801 4.326 -2.510 28 HA ILE 4 HA ILE 4 10.449 2.883 -3.028 29 HB ILE 4 HB ILE 4 12.172 3.477 -0.652 30 HG12 ILE 4 2HG1 ILE 4 12.826 1.768 -2.288 31 HG13 ILE 4 1HG1 ILE 4 12.446 1.009 -0.742 32 HG21 ILE 4 1HG2 ILE 4 9.597 1.875 -0.469 33 HG22 ILE 4 2HG2 ILE 4 9.851 3.459 0.263 34 HG23 ILE 4 3HG2 ILE 4 10.792 2.073 0.813 35 HD11 ILE 4 3HD1 ILE 4 10.791 1.058 -3.263 36 HD12 ILE 4 1HD1 ILE 4 10.053 0.734 -1.693 37 HD13 ILE 4 2HD1 ILE 4 11.309 -0.336 -2.315 38 HA PRO 5 HA PRO 5 7.263 5.711 -1.882 39 HB2 PRO 5 2HB PRO 5 5.220 3.915 -1.623 40 HB3 PRO 5 1HB PRO 5 5.856 4.433 -3.194 41 HG2 PRO 5 2HG PRO 5 6.317 1.914 -1.704 42 HG3 PRO 5 1HG PRO 5 6.224 2.194 -3.448 43 HD2 PRO 5 2HD PRO 5 8.568 1.851 -2.020 44 HD3 PRO 5 1HD PRO 5 8.448 2.625 -3.614 45 H ALA 6 H ALA 6 5.784 6.078 -0.026 46 HA ALA 6 HA ALA 6 6.983 5.221 2.493 47 HB1 ALA 6 1HB ALA 6 4.884 7.154 1.560 48 HB2 ALA 6 2HB ALA 6 6.376 7.479 2.442 49 HB3 ALA 6 3HB ALA 6 4.997 6.764 3.276 50 H ILE 7 H ILE 7 4.118 4.478 0.605 51 HA ILE 7 HA ILE 7 2.437 3.369 2.582 52 HB ILE 7 HB ILE 7 1.521 3.620 0.436 53 HG12 ILE 7 2HG1 ILE 7 0.847 1.415 -0.297 54 HG13 ILE 7 1HG1 ILE 7 2.256 0.681 0.469 55 HG21 ILE 7 1HG2 ILE 7 4.088 2.370 -0.505 56 HG22 ILE 7 2HG2 ILE 7 3.353 3.895 -0.994 57 HG23 ILE 7 3HG2 ILE 7 2.669 2.368 -1.548 58 HD11 ILE 7 3HD1 ILE 7 0.505 0.303 2.007 59 HD12 ILE 7 1HD1 ILE 7 -0.155 1.923 1.787 60 HD13 ILE 7 2HD1 ILE 7 1.355 1.699 2.664 61 H TYR 8 H TYR 8 5.183 1.886 0.886 62 HA TYR 8 HA TYR 8 4.797 -0.776 1.871 63 HB2 TYR 8 2HB TYR 8 7.183 0.816 0.904 64 HB3 TYR 8 1HB TYR 8 7.274 -0.906 1.269 65 HD1 TYR 8 2HD TYR 8 3.989 -0.251 0.216 66 HD2 TYR 8 1HD TYR 8 7.975 -0.674 -1.335 67 HE1 TYR 8 2HE TYR 8 3.062 -0.778 -2.015 68 HE2 TYR 8 1HE TYR 8 7.041 -1.201 -3.569 69 HH TYR 8 HH TYR 8 4.218 -0.491 -4.599 70 H ILE 9 H ILE 9 6.215 2.099 3.303 71 HA ILE 9 HA ILE 9 7.646 0.762 5.434 72 HB ILE 9 HB ILE 9 6.453 3.552 5.247 73 HG12 ILE 9 2HG1 ILE 9 9.170 2.480 4.415 74 HG13 ILE 9 1HG1 ILE 9 7.905 3.057 3.328 75 HG21 ILE 9 1HG2 ILE 9 7.122 3.333 7.473 76 HG22 ILE 9 2HG2 ILE 9 8.594 3.947 6.721 77 HG23 ILE 9 3HG2 ILE 9 8.437 2.226 7.074 78 HD11 ILE 9 3HD1 ILE 9 8.857 4.877 5.508 79 HD12 ILE 9 1HD1 ILE 9 8.224 5.280 3.911 80 HD13 ILE 9 2HD1 ILE 9 9.871 4.670 4.080 81 H GLY 10 H GLY 10 6.774 -0.149 7.257 82 HA2 GLY 10 2HA GLY 10 5.188 -0.726 8.891 83 HA3 GLY 10 1HA GLY 10 4.465 0.864 8.622 84 H ALA 11 H ALA 11 4.946 -1.493 6.071 85 HA ALA 11 HA ALA 11 1.959 -1.835 5.914 86 HB1 ALA 11 1HB ALA 11 3.195 -2.187 3.377 87 HB2 ALA 11 2HB ALA 11 3.911 -0.747 4.102 88 HB3 ALA 11 3HB ALA 11 2.162 -0.853 3.893 89 H THR 12 H THR 12 1.960 -3.729 3.840 90 HA THR 12 HA THR 12 3.713 -5.980 4.684 91 HB THR 12 HB THR 12 0.712 -5.824 5.053 92 HG1 THR 12 1HG THR 12 1.221 -6.211 7.130 93 HG21 THR 12 3HG2 THR 12 1.293 -7.921 3.867 94 HG22 THR 12 1HG2 THR 12 0.734 -8.228 5.511 95 HG23 THR 12 2HG2 THR 12 2.456 -8.300 5.138 96 H VAL 13 H VAL 13 4.462 -6.237 2.528 97 HA VAL 13 HA VAL 13 2.404 -6.445 0.373 98 HB VAL 13 HB VAL 13 4.258 -6.052 -1.097 99 HG11 VAL 13 1HG1 VAL 13 4.590 -4.521 1.496 100 HG12 VAL 13 2HG1 VAL 13 3.662 -4.036 0.077 101 HG13 VAL 13 3HG1 VAL 13 5.423 -4.091 0.002 102 HG21 VAL 13 3HG2 VAL 13 5.972 -7.497 -0.481 103 HG22 VAL 13 1HG2 VAL 13 5.845 -7.083 1.229 104 HG23 VAL 13 2HG2 VAL 13 6.620 -5.966 0.106 105 H GLY 14 H GLY 14 2.495 -8.307 -1.092 106 HA2 GLY 14 2HA GLY 14 2.885 -10.820 0.294 107 HA3 GLY 14 1HA GLY 14 2.448 -10.640 -1.406 108 HA PRO 15 HA PRO 15 6.799 -12.115 -1.256 109 HB2 PRO 15 2HB PRO 15 6.467 -14.079 -3.131 110 HB3 PRO 15 1HB PRO 15 6.144 -14.330 -1.404 111 HG2 PRO 15 2HG PRO 15 4.240 -13.846 -3.632 112 HG3 PRO 15 1HG PRO 15 4.076 -14.888 -2.211 113 HD2 PRO 15 2HD PRO 15 2.902 -12.420 -2.458 114 HD3 PRO 15 1HD PRO 15 3.290 -13.191 -0.905 115 H SER 16 H SER 16 4.641 -11.705 -4.071 116 HA SER 16 HA SER 16 6.661 -11.223 -6.034 117 HB2 SER 16 2HB SER 16 3.784 -10.317 -5.733 118 HB3 SER 16 1HB SER 16 4.715 -10.119 -7.215 119 HG SER 16 HG SER 16 4.788 -12.280 -7.465 120 H VAL 17 H VAL 17 4.588 -8.806 -4.367 121 HA VAL 17 HA VAL 17 5.999 -6.507 -5.263 122 HB VAL 17 HB VAL 17 4.448 -7.042 -2.707 123 HG11 VAL 17 1HG1 VAL 17 5.939 -4.910 -2.929 124 HG12 VAL 17 2HG1 VAL 17 4.261 -4.717 -2.421 125 HG13 VAL 17 3HG1 VAL 17 4.721 -4.380 -4.089 126 HG21 VAL 17 3HG2 VAL 17 2.709 -5.744 -4.242 127 HG22 VAL 17 1HG2 VAL 17 2.908 -7.491 -4.385 128 HG23 VAL 17 2HG2 VAL 17 3.698 -6.416 -5.540 129 H TRP 18 H TRP 18 6.298 -8.293 -2.171 130 HA TRP 18 HA TRP 18 8.298 -6.860 -0.885 131 HB2 TRP 18 2HB TRP 18 7.210 -8.874 -0.010 132 HB3 TRP 18 1HB TRP 18 7.994 -9.860 -1.240 133 HD1 TRP 18 HD TRP 18 10.700 -10.065 -1.093 134 HE1 TRP 18 1HE TRP 18 12.257 -10.003 0.961 135 HE3 TRP 18 3HE TRP 18 7.573 -7.910 2.320 136 HZ2 TRP 18 2HZ TRP 18 12.184 -9.152 3.691 137 HZ3 TRP 18 3HZ TRP 18 8.340 -7.487 4.636 138 HH2 TRP 18 HH TRP 18 10.640 -8.105 5.327 139 H ALA 19 H ALA 19 9.016 -9.673 -2.967 140 HA ALA 19 HA ALA 19 11.751 -9.455 -3.245 141 HB1 ALA 19 1HB ALA 19 11.215 -10.275 -5.667 142 HB2 ALA 19 2HB ALA 19 9.532 -10.175 -5.149 143 HB3 ALA 19 3HB ALA 19 10.651 -11.247 -4.308 144 H TYR 20 H TYR 20 9.335 -7.630 -5.134 145 HA TYR 20 HA TYR 20 11.112 -6.218 -6.836 146 HB2 TYR 20 2HB TYR 20 8.607 -6.346 -6.945 147 HB3 TYR 20 1HB TYR 20 8.532 -5.249 -5.566 148 HD1 TYR 20 2HD TYR 20 9.513 -5.573 -9.120 149 HD2 TYR 20 1HD TYR 20 9.049 -2.899 -5.790 150 HE1 TYR 20 2HE TYR 20 9.767 -3.632 -10.643 151 HE2 TYR 20 1HE TYR 20 9.303 -0.959 -7.313 152 HH TYR 20 HH TYR 20 9.199 -1.275 -10.725 153 H LEU 21 H LEU 21 9.565 -4.895 -3.886 154 HA LEU 21 HA LEU 21 10.979 -2.538 -3.576 155 HB2 LEU 21 2HB LEU 21 9.148 -3.713 -2.152 156 HB3 LEU 21 1HB LEU 21 10.499 -4.429 -1.273 157 HG LEU 21 HG LEU 21 9.971 -1.467 -1.647 158 HD11 LEU 21 1HD1 LEU 21 9.847 -3.319 0.749 159 HD12 LEU 21 2HD1 LEU 21 8.510 -2.427 0.026 160 HD13 LEU 21 3HD1 LEU 21 9.794 -1.560 0.866 161 HD21 LEU 21 3HD2 LEU 21 12.269 -2.999 -0.410 162 HD22 LEU 21 1HD2 LEU 21 11.930 -1.319 0.002 163 HD23 LEU 21 2HD2 LEU 21 12.343 -1.754 -1.657 164 H VAL 22 H VAL 22 11.999 -5.670 -2.144 165 HA VAL 22 HA VAL 22 14.445 -5.008 -1.050 166 HB VAL 22 HB VAL 22 13.722 -7.398 -2.774 167 HG11 VAL 22 1HG1 VAL 22 15.859 -7.104 -0.639 168 HG12 VAL 22 2HG1 VAL 22 16.164 -7.194 -2.374 169 HG13 VAL 22 3HG1 VAL 22 15.477 -8.579 -1.527 170 HG21 VAL 22 3HG2 VAL 22 13.620 -8.162 -0.131 171 HG22 VAL 22 1HG2 VAL 22 12.218 -7.685 -1.091 172 HG23 VAL 22 2HG2 VAL 22 13.020 -6.505 -0.054 173 H ALA 23 H ALA 23 13.824 -5.690 -4.490 174 HA ALA 23 HA ALA 23 16.470 -5.449 -5.466 175 HB1 ALA 23 1HB ALA 23 14.163 -6.125 -6.537 176 HB2 ALA 23 2HB ALA 23 15.409 -5.403 -7.556 177 HB3 ALA 23 3HB ALA 23 14.073 -4.416 -6.960 178 H LEU 24 H LEU 24 13.922 -2.916 -5.438 179 HA LEU 24 HA LEU 24 15.423 -0.735 -6.339 180 HB2 LEU 24 2HB LEU 24 12.935 -1.035 -5.601 181 HB3 LEU 24 1HB LEU 24 13.514 -0.532 -4.013 182 HG LEU 24 HG LEU 24 14.406 1.542 -4.962 183 HD11 LEU 24 1HD1 LEU 24 13.728 2.030 -7.398 184 HD12 LEU 24 2HD1 LEU 24 13.474 0.291 -7.549 185 HD13 LEU 24 3HD1 LEU 24 15.075 0.917 -7.152 186 HD21 LEU 24 3HD2 LEU 24 11.957 2.091 -6.174 187 HD22 LEU 24 1HD2 LEU 24 12.317 2.250 -4.455 188 HD23 LEU 24 2HD2 LEU 24 11.589 0.766 -5.069 189 H VAL 25 H VAL 25 15.125 -1.909 -2.979 190 HA VAL 25 HA VAL 25 17.532 -0.263 -2.285 191 HB VAL 25 HB VAL 25 15.768 0.593 -1.009 192 HG11 VAL 25 1HG1 VAL 25 14.217 -1.224 0.194 193 HG12 VAL 25 2HG1 VAL 25 14.694 -2.183 -1.206 194 HG13 VAL 25 3HG1 VAL 25 13.873 -0.639 -1.433 195 HG21 VAL 25 3HG2 VAL 25 16.122 -1.410 1.068 196 HG22 VAL 25 1HG2 VAL 25 16.628 0.278 1.039 197 HG23 VAL 25 2HG2 VAL 25 17.659 -0.962 0.331 198 H GLY 26 H GLY 26 16.142 -2.789 -0.250 199 HA2 GLY 26 2HA GLY 26 17.680 -5.009 -1.019 200 HA3 GLY 26 1HA GLY 26 18.681 -4.079 0.098 201 H ALA 27 H ALA 27 17.831 -6.637 0.808 202 HA ALA 27 HA ALA 27 15.393 -6.789 2.260 203 HB1 ALA 27 1HB ALA 27 16.724 -8.727 1.645 204 HB2 ALA 27 2HB ALA 27 16.607 -8.676 3.403 205 HB3 ALA 27 3HB ALA 27 18.085 -8.142 2.603 206 H ALA 28 H ALA 28 18.348 -5.125 3.000 207 HA ALA 28 HA ALA 28 18.087 -5.115 5.874 208 HB1 ALA 28 1HB ALA 28 20.232 -4.639 5.092 209 HB2 ALA 28 2HB ALA 28 19.634 -3.008 5.401 210 HB3 ALA 28 3HB ALA 28 19.630 -3.652 3.760 211 H ALA 29 H ALA 29 17.640 -2.435 3.530 212 HA ALA 29 HA ALA 29 16.235 -0.738 5.365 213 HB1 ALA 29 1HB ALA 29 16.409 0.660 3.584 214 HB2 ALA 29 2HB ALA 29 15.504 -0.444 2.549 215 HB3 ALA 29 3HB ALA 29 17.242 -0.657 2.758 216 H VAL 30 H VAL 30 15.255 -3.483 3.472 217 HA VAL 30 HA VAL 30 12.414 -2.884 3.398 218 HB VAL 30 HB VAL 30 14.166 -5.311 2.976 219 HG11 VAL 30 1HG1 VAL 30 11.164 -5.110 3.083 220 HG12 VAL 30 2HG1 VAL 30 12.213 -6.369 3.733 221 HG13 VAL 30 3HG1 VAL 30 11.936 -6.263 1.994 222 HG21 VAL 30 3HG2 VAL 30 13.411 -3.128 1.383 223 HG22 VAL 30 1HG2 VAL 30 12.401 -4.461 0.823 224 HG23 VAL 30 2HG2 VAL 30 14.157 -4.625 0.822 225 H THR 31 H THR 31 14.572 -4.676 5.583 226 HA THR 31 HA THR 31 12.342 -5.665 7.230 227 HB THR 31 HB THR 31 15.365 -5.660 7.520 228 HG1 THR 31 1HG THR 31 15.107 -7.817 6.872 229 HG21 THR 31 3HG2 THR 31 13.841 -5.870 9.646 230 HG22 THR 31 1HG2 THR 31 15.162 -7.015 9.409 231 HG23 THR 31 2HG2 THR 31 13.508 -7.484 9.018 232 H ALA 32 H ALA 32 14.547 -2.937 7.201 233 HA ALA 32 HA ALA 32 13.930 -2.161 9.980 234 HB1 ALA 32 1HB ALA 32 15.335 -0.131 9.133 235 HB2 ALA 32 2HB ALA 32 15.600 -1.117 7.695 236 HB3 ALA 32 3HB ALA 32 16.135 -1.697 9.271 237 H ALA 33 H ALA 33 12.614 -1.667 6.837 238 HA ALA 33 HA ALA 33 11.316 0.902 7.520 239 HB1 ALA 33 1HB ALA 33 12.092 0.690 5.280 240 HB2 ALA 33 2HB ALA 33 10.349 0.446 5.165 241 HB3 ALA 33 3HB ALA 33 11.439 -0.941 5.126 242 H ASN 34 H ASN 34 10.727 -1.739 8.930 243 HA ASN 34 HA ASN 34 8.843 -2.968 9.654 244 HB2 ASN 34 2HB ASN 34 8.504 -0.566 10.375 245 HB3 ASN 34 1HB ASN 34 7.488 -0.351 8.952 246 HD21 ASN 34 1HD2 ASN 34 5.984 0.087 11.058 247 HD22 ASN 34 2HD2 ASN 34 5.077 -1.261 11.552 248 H ILE 35 H ILE 35 9.191 -4.106 7.407 249 HA ILE 35 HA ILE 35 6.673 -3.808 5.798 250 HB ILE 35 HB ILE 35 9.541 -4.420 5.043 251 HG12 ILE 35 2HG1 ILE 35 7.570 -2.426 3.893 252 HG13 ILE 35 1HG1 ILE 35 8.680 -2.035 5.207 253 HG21 ILE 35 1HG2 ILE 35 8.846 -5.686 3.319 254 HG22 ILE 35 2HG2 ILE 35 7.808 -4.372 2.763 255 HG23 ILE 35 3HG2 ILE 35 7.187 -5.563 3.906 256 HD11 ILE 35 3HD1 ILE 35 10.584 -2.321 3.846 257 HD12 ILE 35 1HD1 ILE 35 9.438 -1.504 2.783 258 HD13 ILE 35 2HD1 ILE 35 9.690 -3.244 2.637 259 H ARG 36 H ARG 36 5.409 -5.633 5.904 260 HA ARG 36 HA ARG 36 6.692 -8.168 6.851 261 HB2 ARG 36 2HB ARG 36 3.833 -7.153 6.893 262 HB3 ARG 36 1HB ARG 36 4.350 -8.712 7.532 263 HG2 ARG 36 2HG ARG 36 6.068 -7.285 8.903 264 HG3 ARG 36 1HG ARG 36 4.961 -5.954 8.561 265 HD2 ARG 36 2HD ARG 36 3.083 -7.372 9.483 266 HD3 ARG 36 1HD ARG 36 4.309 -8.546 10.000 267 HE ARG 36 HE ARG 36 5.061 -5.903 10.851 268 HH11 ARG 36 1HH1 ARG 36 2.052 -7.087 11.394 269 HH12 ARG 36 2HH1 ARG 36 2.220 -7.329 13.100 270 HH21 ARG 36 1HH2 ARG 36 5.649 -6.813 13.103 271 HH22 ARG 36 2HH2 ARG 36 4.256 -7.171 14.068 272 H ARG 37 H ARG 37 6.320 -10.092 5.692 273 HA ARG 37 HA ARG 37 5.457 -9.740 2.874 274 HB2 ARG 37 2HB ARG 37 7.162 -11.544 4.487 275 HB3 ARG 37 1HB ARG 37 6.278 -12.337 3.183 276 HG2 ARG 37 2HG ARG 37 7.215 -9.991 2.013 277 HG3 ARG 37 1HG ARG 37 8.556 -10.519 3.031 278 HD2 ARG 37 2HD ARG 37 7.177 -12.084 0.828 279 HD3 ARG 37 1HD ARG 37 8.892 -11.642 0.945 280 HE ARG 37 HE ARG 37 8.448 -13.059 3.272 281 HH11 ARG 37 1HH1 ARG 37 10.108 -14.095 0.954 282 HH12 ARG 37 2HH1 ARG 37 9.320 -15.598 0.613 283 HH21 ARG 37 1HH2 ARG 37 6.452 -14.804 2.393 284 HH22 ARG 37 2HH2 ARG 37 7.249 -15.999 1.426 285 H ALA 38 H ALA 38 3.667 -10.861 2.015 286 HA ALA 38 HA ALA 38 1.910 -12.221 4.032 287 HB1 ALA 38 1HB ALA 38 1.514 -10.249 1.840 288 HB2 ALA 38 2HB ALA 38 0.678 -10.390 3.387 289 HB3 ALA 38 3HB ALA 38 0.241 -11.451 2.048 290 H SER 39 H SER 39 0.704 -14.079 3.259 291 HA SER 39 HA SER 39 2.047 -16.037 1.827 292 HB2 SER 39 2HB SER 39 -0.941 -15.640 1.638 293 HB3 SER 39 1HB SER 39 -0.050 -17.152 1.787 294 HG SER 39 HG SER 39 0.542 -16.502 3.890 295 H SER 40 H SER 40 0.256 -13.305 0.542 296 HA SER 40 HA SER 40 1.378 -13.741 -2.125 297 HB2 SER 40 2HB SER 40 -1.379 -14.552 -1.352 298 HB3 SER 40 1HB SER 40 -1.210 -13.736 -2.904 299 HG SER 40 HG SER 40 -0.098 -16.160 -2.006 300 H ASP 41 H ASP 41 -0.414 -12.165 -3.585 301 HA ASP 41 HA ASP 41 0.266 -9.500 -2.702 302 HB2 ASP 41 2HB ASP 41 -1.573 -10.648 -4.820 303 HB3 ASP 41 1HB ASP 41 -1.225 -8.925 -4.675 304 H ASN 42 H ASN 42 -2.297 -11.624 -1.883 305 HA ASN 42 HA ASN 42 -4.187 -9.437 -1.211 306 HB2 ASN 42 2HB ASN 42 -4.776 -11.656 -2.324 307 HB3 ASN 42 1HB ASN 42 -4.437 -12.422 -0.771 308 HD21 ASN 42 1HD2 ASN 42 -5.617 -11.082 1.152 309 HD22 ASN 42 2HD2 ASN 42 -7.248 -10.725 0.845 310 H HIS 43 H HIS 43 -3.466 -8.407 0.672 311 HA HIS 43 HA HIS 43 -3.290 -10.104 3.113 312 HB2 HIS 43 2HB HIS 43 -1.289 -8.515 3.698 313 HB3 HIS 43 1HB HIS 43 -1.012 -9.881 2.624 314 HD1 HIS 43 1HD HIS 43 -1.086 -6.152 2.702 315 HD2 HIS 43 2HD HIS 43 -0.691 -9.166 -0.148 316 HE1 HIS 43 1HE HIS 43 -0.180 -5.039 0.604 317 H SER 44 H SER 44 -3.099 -8.498 5.088 318 HA SER 44 HA SER 44 -5.350 -6.626 4.873 319 HB2 SER 44 2HB SER 44 -5.063 -6.500 7.287 320 HB3 SER 44 1HB SER 44 -4.877 -8.181 6.801 321 HG SER 44 HG SER 44 -2.767 -8.073 7.181 322 H CYS 45 H CYS 45 -5.121 -4.417 4.592 323 HA CYS 45 HA CYS 45 -2.364 -3.283 4.922 324 HB2 CYS 45 2HB CYS 45 -3.137 -1.743 3.022 325 HB3 CYS 45 1HB CYS 45 -2.828 -3.419 2.595 326 H ALA 46 H ALA 46 -2.558 -0.776 5.019 327 HA ALA 46 HA ALA 46 -3.218 1.052 6.376 328 HB1 ALA 46 1HB ALA 46 -5.335 1.717 5.758 329 HB2 ALA 46 2HB ALA 46 -6.049 0.158 6.169 330 HB3 ALA 46 3HB ALA 46 -5.191 0.359 4.641 331 H GLY 47 H GLY 47 -2.582 -1.463 7.719 332 HA2 GLY 47 2HA GLY 47 -2.700 -2.321 9.905 333 HA3 GLY 47 1HA GLY 47 -3.666 -0.905 10.332 334 H ASN 48 H ASN 48 -5.201 -2.184 11.523 335 HA ASN 48 HA ASN 48 -6.630 -4.345 10.163 336 HB2 ASN 48 2HB ASN 48 -6.961 -2.931 12.826 337 HB3 ASN 48 1HB ASN 48 -7.875 -4.362 12.342 338 HD21 ASN 48 1HD2 ASN 48 -6.070 -6.064 11.244 339 HD22 ASN 48 2HD2 ASN 48 -4.792 -6.401 12.308 340 H ARG 49 H ARG 49 -6.849 -1.859 8.759 341 HA ARG 49 HA ARG 49 -9.674 -1.059 9.319 342 HB2 ARG 49 2HB ARG 49 -7.215 0.359 8.325 343 HB3 ARG 49 1HB ARG 49 -8.814 1.009 7.982 344 HG2 ARG 49 2HG ARG 49 -8.823 0.299 10.718 345 HG3 ARG 49 1HG ARG 49 -7.305 1.151 10.431 346 HD2 ARG 49 2HD ARG 49 -8.499 3.046 9.450 347 HD3 ARG 49 1HD ARG 49 -10.043 2.184 9.606 348 HE ARG 49 HE ARG 49 -9.302 2.075 12.148 349 HH11 ARG 49 1HH1 ARG 49 -10.795 4.514 10.894 350 HH12 ARG 49 2HH1 ARG 49 -9.924 5.810 11.646 351 HH21 ARG 49 1HH2 ARG 49 -7.304 3.796 12.694 352 HH22 ARG 49 2HH2 ARG 49 -7.948 5.403 12.663 353 H GLY 50 H GLY 50 -7.324 -1.810 6.733 354 HA2 GLY 50 2HA GLY 50 -9.683 -2.258 4.942 355 HA3 GLY 50 1HA GLY 50 -8.218 -1.481 4.350 356 H TRP 51 H TRP 51 -9.010 -3.672 3.006 357 HA TRP 51 HA TRP 51 -6.989 -5.739 3.796 358 HB2 TRP 51 2HB TRP 51 -9.919 -5.898 3.545 359 HB3 TRP 51 1HB TRP 51 -9.070 -7.147 2.637 360 HD1 TRP 51 HD TRP 51 -10.348 -6.440 5.980 361 HE1 TRP 51 1HE TRP 51 -9.336 -8.046 7.724 362 HE3 TRP 51 3HE TRP 51 -6.506 -8.400 3.248 363 HZ2 TRP 51 2HZ TRP 51 -7.180 -9.917 7.931 364 HZ3 TRP 51 3HZ TRP 51 -4.992 -10.086 4.240 365 HH2 TRP 51 HH TRP 51 -5.322 -10.850 6.576 366 H CYS 52 H CYS 52 -6.641 -7.263 1.786 367 HA CYS 52 HA CYS 52 -6.548 -5.524 -0.645 368 HB2 CYS 52 2HB CYS 52 -4.521 -6.629 0.580 369 HB3 CYS 52 1HB CYS 52 -5.060 -8.103 -0.223 370 H ARG 53 H ARG 53 -8.287 -5.959 -1.966 371 HA ARG 53 HA ARG 53 -8.917 -8.840 -2.534 372 HB2 ARG 53 2HB ARG 53 -10.921 -6.578 -2.614 373 HB3 ARG 53 1HB ARG 53 -11.235 -8.307 -2.491 374 HG2 ARG 53 2HG ARG 53 -11.255 -8.153 -0.249 375 HG3 ARG 53 1HG ARG 53 -9.609 -7.522 -0.261 376 HD2 ARG 53 2HD ARG 53 -10.637 -5.245 -0.852 377 HD3 ARG 53 1HD ARG 53 -12.198 -5.960 -0.406 378 HE ARG 53 HE ARG 53 -9.878 -5.653 1.447 379 HH11 ARG 53 1HH2 ARG 53 -12.702 -4.328 1.547 380 HH12 ARG 53 2HH2 ARG 53 -13.399 -5.215 2.860 381 HH21 ARG 53 1HH1 ARG 53 -10.972 -7.693 2.820 382 HH22 ARG 53 2HH1 ARG 53 -12.420 -7.123 3.580 383 H SER 54 H SER 54 -9.295 -9.281 -4.776 384 HA SER 54 HA SER 54 -8.055 -7.676 -6.744 385 HB2 SER 54 2HB SER 54 -8.667 -10.019 -7.080 386 HB3 SER 54 1HB SER 54 -10.375 -9.633 -6.891 387 HG SER 54 HG SER 54 -8.608 -8.807 -8.954 388 H LYS 55 H LYS 55 -11.508 -7.966 -5.988 389 HA LYS 55 HA LYS 55 -11.930 -5.205 -7.041 390 HB2 LYS 55 2HB LYS 55 -13.265 -7.825 -7.505 391 HB3 LYS 55 1HB LYS 55 -14.327 -6.416 -7.372 392 HG2 LYS 55 2HG LYS 55 -12.066 -5.678 -8.894 393 HG3 LYS 55 1HG LYS 55 -12.692 -7.178 -9.581 394 HD2 LYS 55 2HD LYS 55 -14.404 -6.050 -10.519 395 HD3 LYS 55 1HD LYS 55 -14.904 -5.467 -8.931 396 HE2 LYS 55 2HE LYS 55 -12.643 -4.174 -10.484 397 HE3 LYS 55 1HE LYS 55 -14.330 -3.636 -10.618 398 HZ1 LYS 55 3HZ LYS 55 -12.683 -3.796 -8.153 399 HZ2 LYS 55 1HZ LYS 55 -14.362 -3.550 -8.139 400 HZ3 LYS 55 2HZ LYS 55 -13.342 -2.399 -8.862 401 H CYS 56 H CYS 56 -14.202 -4.450 -6.148 402 HA CYS 56 HA CYS 56 -14.784 -5.445 -3.424 403 HB2 CYS 56 2HB CYS 56 -13.313 -2.919 -4.080 404 HB3 CYS 56 1HB CYS 56 -14.407 -2.918 -2.694 405 H PHE 57 H PHE 57 -16.593 -4.053 -2.424 406 HA PHE 57 HA PHE 57 -18.717 -3.735 -4.401 407 HB2 PHE 57 2HB PHE 57 -18.679 -3.051 -1.448 408 HB3 PHE 57 1HB PHE 57 -20.080 -3.486 -2.429 409 HD1 PHE 57 2HD PHE 57 -19.632 -5.812 -3.821 410 HD2 PHE 57 1HD PHE 57 -17.902 -4.729 -0.041 411 HE1 PHE 57 2HE PHE 57 -19.249 -8.209 -3.309 412 HE2 PHE 57 1HE PHE 57 -17.519 -7.125 0.471 413 HZ PHE 57 HZ PHE 57 -18.192 -8.865 -1.163 414 H ARG 58 H ARG 58 -20.181 -1.662 -3.995 415 HA ARG 58 HA ARG 58 -18.575 0.649 -4.719 416 HB2 ARG 58 2HB ARG 58 -20.938 -0.181 -5.502 417 HB3 ARG 58 1HB ARG 58 -21.509 0.679 -4.073 418 HG2 ARG 58 2HG ARG 58 -19.663 2.397 -5.373 419 HG3 ARG 58 1HG ARG 58 -20.736 1.762 -6.622 420 HD2 ARG 58 2HD ARG 58 -22.043 3.535 -5.895 421 HD3 ARG 58 1HD ARG 58 -22.579 2.314 -4.724 422 HE ARG 58 HE ARG 58 -20.436 3.265 -3.417 423 HH11 ARG 58 1HH2 ARG 58 -20.797 5.597 -5.488 424 HH12 ARG 58 2HH2 ARG 58 -21.580 6.762 -4.472 425 HH21 ARG 58 1HH1 ARG 58 -22.334 4.474 -1.979 426 HH22 ARG 58 2HH1 ARG 58 -22.449 6.127 -2.484 427 H HIS 59 H HIS 59 -20.739 -0.163 -1.996 428 HA HIS 59 HA HIS 59 -20.584 2.191 -0.497 429 HB2 HIS 59 2HB HIS 59 -21.633 -0.258 -0.159 430 HB3 HIS 59 1HB HIS 59 -20.231 -0.429 0.897 431 HD1 HIS 59 1HD HIS 59 -21.416 -0.248 3.145 432 HD2 HIS 59 2HD HIS 59 -22.298 2.939 0.606 433 HE1 HIS 59 1HE HIS 59 -22.674 1.452 4.539 434 H GLU 60 H GLU 60 -18.051 -0.085 -1.223 435 HA GLU 60 HA GLU 60 -16.248 1.199 0.793 436 HB2 GLU 60 2HB GLU 60 -16.324 -1.456 -0.657 437 HB3 GLU 60 1HB GLU 60 -14.894 -0.916 0.216 438 HG2 GLU 60 2HG GLU 60 -16.301 -0.638 2.263 439 HG3 GLU 60 1HG GLU 60 -17.665 -1.317 1.375 440 H TYR 61 H TYR 61 -13.844 1.110 -0.159 441 HA TYR 61 HA TYR 61 -13.835 1.753 -3.069 442 HB2 TYR 61 2HB TYR 61 -12.897 3.914 -2.730 443 HB3 TYR 61 1HB TYR 61 -14.221 3.811 -1.579 444 HD1 TYR 61 2HD TYR 61 -13.467 2.641 0.758 445 HD2 TYR 61 1HD TYR 61 -10.880 4.781 -1.924 446 HE1 TYR 61 2HE TYR 61 -11.901 3.071 2.624 447 HE2 TYR 61 1HE TYR 61 -9.320 5.221 -0.048 448 HH TYR 61 HH TYR 61 -8.841 4.814 2.081 449 H VAL 62 H VAL 62 -11.258 2.671 -3.241 450 HA VAL 62 HA VAL 62 -9.604 0.440 -2.106 451 HB VAL 62 HB VAL 62 -9.795 1.619 -4.889 452 HG11 VAL 62 1HG1 VAL 62 -7.848 0.133 -5.443 453 HG12 VAL 62 2HG1 VAL 62 -7.622 -0.143 -3.716 454 HG13 VAL 62 3HG1 VAL 62 -7.422 1.478 -4.385 455 HG21 VAL 62 3HG2 VAL 62 -11.119 -0.473 -3.816 456 HG22 VAL 62 1HG2 VAL 62 -9.646 -1.301 -4.321 457 HG23 VAL 62 2HG2 VAL 62 -10.622 -0.435 -5.506 458 H ASP 63 H ASP 63 -8.595 1.751 -0.495 459 HA ASP 63 HA ASP 63 -7.801 4.425 -0.689 460 HB2 ASP 63 2HB ASP 63 -5.924 3.587 0.910 461 HB3 ASP 63 1HB ASP 63 -7.599 3.351 1.401 462 H THR 64 H THR 64 -7.084 4.834 -2.834 463 HA THR 64 HA THR 64 -5.208 3.584 -4.420 464 HB THR 64 HB THR 64 -4.475 6.168 -4.745 465 HG1 THR 64 1HG THR 64 -5.667 6.628 -2.756 466 HG21 THR 64 3HG2 THR 64 -7.140 6.066 -5.692 467 HG22 THR 64 1HG2 THR 64 -6.525 4.413 -5.747 468 HG23 THR 64 2HG2 THR 64 -5.667 5.702 -6.591 469 H TYR 65 H TYR 65 -4.576 5.210 -1.374 470 HA TYR 65 HA TYR 65 -1.738 5.538 -1.634 471 HB2 TYR 65 2HB TYR 65 -3.533 6.441 0.051 472 HB3 TYR 65 1HB TYR 65 -3.165 4.970 0.952 473 HD1 TYR 65 1HD TYR 65 -0.777 4.505 1.641 474 HD2 TYR 65 2HD TYR 65 -2.032 8.289 0.040 475 HE1 TYR 65 1HE TYR 65 1.274 5.567 2.542 476 HE2 TYR 65 2HE TYR 65 0.019 9.351 0.942 477 HH TYR 65 HH TYR 65 1.662 8.921 2.762 478 H TYR 66 H TYR 66 -3.652 2.939 -0.047 479 HA TYR 66 HA TYR 66 -1.215 1.352 0.391 480 HB2 TYR 66 2HB TYR 66 -4.104 1.276 1.117 481 HB3 TYR 66 1HB TYR 66 -3.219 -0.251 1.155 482 HD1 TYR 66 1HD TYR 66 -1.278 -0.553 2.649 483 HD2 TYR 66 2HD TYR 66 -3.571 3.079 2.652 484 HE1 TYR 66 1HE TYR 66 -0.229 0.109 4.797 485 HE2 TYR 66 2HE TYR 66 -2.525 3.739 4.801 486 HH TYR 66 HH TYR 66 -0.403 3.234 6.040 487 H SER 67 H SER 67 -3.365 1.748 -2.208 488 HA SER 67 HA SER 67 -3.788 -0.816 -3.272 489 HB2 SER 67 2HB SER 67 -3.820 0.350 -5.411 490 HB3 SER 67 1HB SER 67 -4.480 1.431 -4.189 491 HG SER 67 HG SER 67 -2.867 2.374 -5.605 492 H ALA 68 H ALA 68 -0.807 0.928 -2.798 493 HA ALA 68 HA ALA 68 0.877 -0.419 -4.680 494 HB1 ALA 68 1HB ALA 68 1.678 0.638 -1.965 495 HB2 ALA 68 2HB ALA 68 1.219 1.717 -3.283 496 HB3 ALA 68 3HB ALA 68 2.615 0.653 -3.458 497 H VAL 69 H VAL 69 1.015 -0.890 -1.114 498 HA VAL 69 HA VAL 69 2.425 -3.292 -1.101 499 HB VAL 69 HB VAL 69 1.642 -1.857 0.847 500 HG11 VAL 69 1HG1 VAL 69 -0.528 -2.800 1.884 501 HG12 VAL 69 2HG1 VAL 69 -0.892 -3.355 0.251 502 HG13 VAL 69 3HG1 VAL 69 -0.677 -1.634 0.570 503 HG21 VAL 69 3HG2 VAL 69 2.720 -3.704 1.657 504 HG22 VAL 69 1HG2 VAL 69 1.696 -4.816 0.751 505 HG23 VAL 69 2HG2 VAL 69 1.096 -4.081 2.234 506 H CYS 70 H CYS 70 -0.962 -2.777 -1.883 507 HA CYS 70 HA CYS 70 -1.862 -5.494 -1.710 508 HB2 CYS 70 2HB CYS 70 -2.737 -2.903 -2.663 509 HB3 CYS 70 1HB CYS 70 -3.222 -4.166 -3.795 510 H GLY 71 H GLY 71 -0.552 -3.619 -4.466 511 HA2 GLY 71 2HA GLY 71 0.799 -4.499 -6.231 512 HA3 GLY 71 1HA GLY 71 0.431 -6.129 -5.666 513 H ARG 72 H ARG 72 -0.538 -7.131 -7.382 514 HA ARG 72 HA ARG 72 -2.047 -5.913 -9.447 515 HB2 ARG 72 2HB ARG 72 -1.594 -8.613 -8.305 516 HB3 ARG 72 1HB ARG 72 -3.043 -8.445 -9.297 517 HG2 ARG 72 2HG ARG 72 -0.241 -7.646 -10.144 518 HG3 ARG 72 1HG ARG 72 -1.086 -9.105 -10.663 519 HD2 ARG 72 2HD ARG 72 -2.940 -7.574 -11.536 520 HD3 ARG 72 1HD ARG 72 -1.811 -6.228 -11.281 521 HE ARG 72 HE ARG 72 -0.221 -7.427 -12.804 522 HH11 ARG 72 1HH2 ARG 72 -3.341 -7.019 -13.699 523 HH12 ARG 72 2HH2 ARG 72 -3.415 -8.323 -14.836 524 HH21 ARG 72 1HH1 ARG 72 -0.385 -9.698 -13.858 525 HH22 ARG 72 2HH1 ARG 72 -1.740 -9.841 -14.926 526 H TYR 73 H TYR 73 -3.013 -6.996 -6.232 527 HA TYR 73 HA TYR 73 -5.887 -6.704 -6.780 528 HB2 TYR 73 2HB TYR 73 -4.139 -7.316 -4.392 529 HB3 TYR 73 1HB TYR 73 -5.881 -7.100 -4.220 530 HD1 TYR 73 1HD TYR 73 -3.565 -8.833 -6.623 531 HD2 TYR 73 2HD TYR 73 -7.108 -9.069 -4.206 532 HE1 TYR 73 1HE TYR 73 -3.932 -11.163 -7.388 533 HE2 TYR 73 2HE TYR 73 -7.475 -11.398 -4.971 534 HH TYR 73 HH TYR 73 -6.877 -12.866 -6.745 535 H PHE 74 H PHE 74 -6.948 -5.374 -4.718 536 HA PHE 74 HA PHE 74 -5.621 -2.681 -4.682 537 HB2 PHE 74 2HB PHE 74 -8.582 -3.315 -4.867 538 HB3 PHE 74 1HB PHE 74 -7.845 -1.719 -4.958 539 HD1 PHE 74 1HD PHE 74 -7.796 -5.065 -6.618 540 HD2 PHE 74 2HD PHE 74 -7.225 -0.830 -7.030 541 HE1 PHE 74 1HE PHE 74 -7.529 -5.342 -9.067 542 HE2 PHE 74 2HE PHE 74 -6.956 -1.103 -9.479 543 HZ PHE 74 HZ PHE 74 -7.105 -3.360 -10.501 544 H CYS 75 H CYS 75 -5.477 -1.800 -2.631 545 HA CYS 75 HA CYS 75 -6.424 -3.372 -0.345 546 HB2 CYS 75 2HB CYS 75 -4.287 -2.269 -0.207 547 HB3 CYS 75 1HB CYS 75 -4.981 -0.732 -0.727 548 H CYS 76 H CYS 76 -8.729 -3.271 -0.371 549 HA CYS 76 HA CYS 76 -10.102 -0.736 -0.786 550 HB2 CYS 76 2HB CYS 76 -11.022 -3.436 0.218 551 HB3 CYS 76 1HB CYS 76 -12.095 -2.119 -0.236 552 H ARG 77 H ARG 77 -11.649 0.073 0.859 553 HA ARG 77 HA ARG 77 -11.104 -0.491 3.689 554 HB2 ARG 77 2HB ARG 77 -9.869 1.716 2.151 555 HB3 ARG 77 1HB ARG 77 -10.596 2.203 3.681 556 HG2 ARG 77 2HG ARG 77 -9.332 0.257 4.747 557 HG3 ARG 77 1HG ARG 77 -8.434 0.138 3.233 558 HD2 ARG 77 2HD ARG 77 -7.131 1.557 4.686 559 HD3 ARG 77 1HD ARG 77 -7.912 2.637 3.514 560 HE ARG 77 HE ARG 77 -9.759 2.411 5.584 561 HH11 ARG 77 1HH1 ARG 77 -6.986 2.139 7.023 562 HH12 ARG 77 2HH1 ARG 77 -6.784 3.770 7.571 563 HH21 ARG 77 1HH2 ARG 77 -9.282 5.045 5.532 564 HH22 ARG 77 2HH2 ARG 77 -8.084 5.415 6.726 565 H SER 78 H SER 78 -12.365 1.309 5.016 566 HA SER 78 HA SER 78 -14.988 1.699 3.632 567 HB2 SER 78 2HB SER 78 -14.662 0.289 5.764 568 HB3 SER 78 1HB SER 78 -14.395 1.818 6.596 569 HG SER 78 HG SER 78 -16.700 0.864 5.277 570 H ARG 79 H ARG 79 -14.975 3.762 2.768 571 HA ARG 79 HA ARG 79 -13.524 6.003 3.789 572 HB2 ARG 79 2HB ARG 79 -14.450 5.702 1.490 573 HB3 ARG 79 1HB ARG 79 -16.076 5.896 2.149 574 HG2 ARG 79 2HG ARG 79 -15.110 8.126 3.145 575 HG3 ARG 79 1HG ARG 79 -13.889 7.937 1.885 576 HD2 ARG 79 2HD ARG 79 -16.371 7.414 0.629 577 HD3 ARG 79 1HD ARG 79 -16.606 8.874 1.611 578 HE ARG 79 HE ARG 79 -14.174 9.369 0.481 579 HH11 ARG 79 1HH1 ARG 79 -17.354 9.570 -0.477 580 HH12 ARG 79 2HH1 ARG 79 -17.035 9.674 -2.176 581 HH21 ARG 79 1HH2 ARG 79 -13.664 8.929 -1.859 582 HH22 ARG 79 2HH2 ARG 79 -14.946 9.312 -2.958 Start of MODEL 16 1 H1 ASN 1 1HT ASN 1 16.769 9.270 -10.562 2 H2 ASN 1 2HT ASN 1 15.321 9.681 -9.772 3 H3 ASN 1 3HT ASN 1 15.370 8.349 -10.825 4 HA ASN 1 HA ASN 1 16.688 7.079 -9.344 5 HB2 ASN 1 2HB ASN 1 17.285 9.829 -8.469 6 HB3 ASN 1 1HB ASN 1 17.163 8.671 -7.144 7 HD21 ASN 1 1HD2 ASN 1 18.169 6.338 -8.402 8 HD22 ASN 1 2HD2 ASN 1 19.797 6.587 -8.812 9 HA PRO 2 HA PRO 2 12.456 7.293 -7.534 10 HB2 PRO 2 2HB PRO 2 11.796 4.712 -8.159 11 HB3 PRO 2 1HB PRO 2 11.578 6.065 -9.288 12 HG2 PRO 2 2HG PRO 2 13.724 4.010 -9.191 13 HG3 PRO 2 1HG PRO 2 12.928 4.748 -10.589 14 HD2 PRO 2 2HD PRO 2 15.411 5.467 -9.697 15 HD3 PRO 2 1HD PRO 2 14.330 6.553 -10.596 16 H LEU 3 H LEU 3 12.415 6.971 -5.341 17 HA LEU 3 HA LEU 3 14.108 4.788 -4.188 18 HB2 LEU 3 2HB LEU 3 13.599 7.561 -3.606 19 HB3 LEU 3 1HB LEU 3 13.109 6.585 -2.221 20 HG LEU 3 HG LEU 3 15.683 5.816 -3.466 21 HD11 LEU 3 1HD1 LEU 3 16.930 7.670 -2.824 22 HD12 LEU 3 2HD1 LEU 3 15.730 8.198 -1.644 23 HD13 LEU 3 3HD1 LEU 3 15.445 8.450 -3.367 24 HD21 LEU 3 3HD2 LEU 3 16.301 5.538 -1.110 25 HD22 LEU 3 1HD2 LEU 3 14.734 4.785 -1.405 26 HD23 LEU 3 2HD2 LEU 3 14.822 6.355 -0.605 27 H ILE 4 H ILE 4 12.876 4.563 -1.709 28 HA ILE 4 HA ILE 4 10.527 2.946 -2.363 29 HB ILE 4 HB ILE 4 12.207 3.604 0.042 30 HG12 ILE 4 2HG1 ILE 4 12.770 1.794 -1.635 31 HG13 ILE 4 1HG1 ILE 4 12.615 1.227 0.027 32 HG21 ILE 4 1HG2 ILE 4 10.405 3.429 1.406 33 HG22 ILE 4 2HG2 ILE 4 10.383 1.722 0.964 34 HG23 ILE 4 3HG2 ILE 4 9.367 2.871 0.095 35 HD11 ILE 4 3HD1 ILE 4 11.406 -0.082 -1.906 36 HD12 ILE 4 1HD1 ILE 4 10.208 1.206 -1.770 37 HD13 ILE 4 2HD1 ILE 4 10.566 0.184 -0.377 38 HA PRO 5 HA PRO 5 7.548 6.103 -1.568 39 HB2 PRO 5 2HB PRO 5 5.388 4.490 -1.089 40 HB3 PRO 5 1HB PRO 5 6.041 4.765 -2.716 41 HG2 PRO 5 2HG PRO 5 6.429 2.448 -0.889 42 HG3 PRO 5 1HG PRO 5 6.212 2.477 -2.646 43 HD2 PRO 5 2HD PRO 5 8.632 2.155 -1.440 44 HD3 PRO 5 1HD PRO 5 8.428 2.891 -3.044 45 H ALA 6 H ALA 6 5.423 5.765 0.271 46 HA ALA 6 HA ALA 6 6.895 5.643 2.849 47 HB1 ALA 6 1HB ALA 6 5.150 7.241 3.602 48 HB2 ALA 6 2HB ALA 6 4.390 7.134 2.013 49 HB3 ALA 6 3HB ALA 6 5.999 7.840 2.176 50 H ILE 7 H ILE 7 3.935 4.688 1.165 51 HA ILE 7 HA ILE 7 2.460 3.524 3.253 52 HB ILE 7 HB ILE 7 1.567 3.754 1.039 53 HG12 ILE 7 2HG1 ILE 7 1.943 0.934 2.021 54 HG13 ILE 7 1HG1 ILE 7 0.487 1.922 2.012 55 HG21 ILE 7 1HG2 ILE 7 3.256 1.649 -0.193 56 HG22 ILE 7 2HG2 ILE 7 4.071 3.176 0.137 57 HG23 ILE 7 3HG2 ILE 7 2.639 3.146 -0.888 58 HD11 ILE 7 3HD1 ILE 7 0.570 1.792 -0.531 59 HD12 ILE 7 1HD1 ILE 7 0.193 0.283 0.299 60 HD13 ILE 7 2HD1 ILE 7 1.813 0.558 -0.336 61 H TYR 8 H TYR 8 4.918 1.925 1.207 62 HA TYR 8 HA TYR 8 4.884 -0.645 2.278 63 HB2 TYR 8 2HB TYR 8 7.151 1.141 1.356 64 HB3 TYR 8 1HB TYR 8 7.355 -0.581 1.665 65 HD1 TYR 8 1HD TYR 8 4.092 -0.487 0.649 66 HD2 TYR 8 2HD TYR 8 8.019 0.161 -0.973 67 HE1 TYR 8 1HE TYR 8 3.239 -1.001 -1.615 68 HE2 TYR 8 2HE TYR 8 7.159 -0.351 -3.241 69 HH TYR 8 HH TYR 8 5.291 -0.641 -4.477 70 H ILE 9 H ILE 9 6.233 2.296 3.692 71 HA ILE 9 HA ILE 9 7.694 1.002 5.813 72 HB ILE 9 HB ILE 9 6.397 3.747 5.697 73 HG12 ILE 9 2HG1 ILE 9 9.121 2.795 4.752 74 HG13 ILE 9 1HG1 ILE 9 7.800 3.349 3.721 75 HG21 ILE 9 1HG2 ILE 9 7.873 2.423 7.729 76 HG22 ILE 9 2HG2 ILE 9 7.390 4.119 7.682 77 HG23 ILE 9 3HG2 ILE 9 8.949 3.627 7.021 78 HD11 ILE 9 3HD1 ILE 9 8.855 5.125 5.910 79 HD12 ILE 9 1HD1 ILE 9 8.011 5.575 4.428 80 HD13 ILE 9 2HD1 ILE 9 9.690 5.039 4.359 81 H GLY 10 H GLY 10 6.698 -0.306 7.260 82 HA2 GLY 10 2HA GLY 10 5.236 -0.884 9.027 83 HA3 GLY 10 1HA GLY 10 4.458 0.693 8.845 84 H ALA 11 H ALA 11 4.962 -1.375 6.091 85 HA ALA 11 HA ALA 11 1.984 -1.783 5.935 86 HB1 ALA 11 1HB ALA 11 2.242 -0.864 3.891 87 HB2 ALA 11 2HB ALA 11 3.320 -2.185 3.440 88 HB3 ALA 11 3HB ALA 11 3.976 -0.721 4.174 89 H THR 12 H THR 12 1.939 -3.719 3.923 90 HA THR 12 HA THR 12 3.684 -5.971 4.750 91 HB THR 12 HB THR 12 0.705 -5.804 5.271 92 HG1 THR 12 1HG THR 12 1.410 -5.507 7.207 93 HG21 THR 12 3HG2 THR 12 0.682 -7.969 4.572 94 HG22 THR 12 1HG2 THR 12 1.428 -8.281 6.139 95 HG23 THR 12 2HG2 THR 12 2.433 -8.131 4.697 96 H VAL 13 H VAL 13 4.302 -6.364 2.597 97 HA VAL 13 HA VAL 13 2.158 -6.554 0.531 98 HB VAL 13 HB VAL 13 3.996 -6.375 -1.017 99 HG11 VAL 13 1HG1 VAL 13 5.301 -4.410 -0.023 100 HG12 VAL 13 2HG1 VAL 13 4.370 -4.668 1.452 101 HG13 VAL 13 3HG1 VAL 13 3.547 -4.244 -0.048 102 HG21 VAL 13 3HG2 VAL 13 6.377 -6.289 0.212 103 HG22 VAL 13 1HG2 VAL 13 5.688 -7.805 -0.368 104 HG23 VAL 13 2HG2 VAL 13 5.547 -7.367 1.334 105 H GLY 14 H GLY 14 2.943 -8.419 -1.172 106 HA2 GLY 14 2HA GLY 14 2.878 -10.925 0.420 107 HA3 GLY 14 1HA GLY 14 2.459 -10.783 -1.290 108 HA PRO 15 HA PRO 15 6.732 -12.442 -1.086 109 HB2 PRO 15 2HB PRO 15 6.328 -14.409 -2.942 110 HB3 PRO 15 1HB PRO 15 5.972 -14.624 -1.216 111 HG2 PRO 15 2HG PRO 15 4.122 -14.082 -3.476 112 HG3 PRO 15 1HG PRO 15 3.888 -15.088 -2.040 113 HD2 PRO 15 2HD PRO 15 2.848 -12.564 -2.350 114 HD3 PRO 15 1HD PRO 15 3.159 -13.334 -0.779 115 H SER 16 H SER 16 4.654 -12.053 -3.973 116 HA SER 16 HA SER 16 6.777 -11.605 -5.850 117 HB2 SER 16 2HB SER 16 4.923 -10.775 -7.246 118 HB3 SER 16 1HB SER 16 4.431 -12.224 -6.375 119 HG SER 16 HG SER 16 3.502 -10.804 -4.797 120 H VAL 17 H VAL 17 4.600 -9.244 -4.236 121 HA VAL 17 HA VAL 17 5.877 -6.896 -5.210 122 HB VAL 17 HB VAL 17 4.428 -7.425 -2.594 123 HG11 VAL 17 1HG1 VAL 17 4.120 -5.112 -2.395 124 HG12 VAL 17 2HG1 VAL 17 4.453 -4.823 -4.103 125 HG13 VAL 17 3HG1 VAL 17 5.774 -5.211 -3.001 126 HG21 VAL 17 3HG2 VAL 17 2.515 -7.552 -3.789 127 HG22 VAL 17 1HG2 VAL 17 3.521 -7.702 -5.230 128 HG23 VAL 17 2HG2 VAL 17 2.936 -6.116 -4.726 129 H TRP 18 H TRP 18 6.358 -8.642 -2.117 130 HA TRP 18 HA TRP 18 8.309 -7.040 -0.922 131 HB2 TRP 18 2HB TRP 18 7.240 -9.132 -0.036 132 HB3 TRP 18 1HB TRP 18 8.282 -10.070 -1.102 133 HD1 TRP 18 HD TRP 18 11.005 -9.649 -0.734 134 HE1 TRP 18 1HE TRP 18 12.287 -9.322 1.478 135 HE3 TRP 18 3HE TRP 18 7.149 -8.298 2.330 136 HZ2 TRP 18 2HZ TRP 18 11.750 -8.585 4.189 137 HZ3 TRP 18 3HZ TRP 18 7.563 -7.790 4.720 138 HH2 TRP 18 HH TRP 18 9.856 -7.932 5.652 139 H ALA 19 H ALA 19 9.038 -9.875 -2.990 140 HA ALA 19 HA ALA 19 11.781 -9.583 -3.293 141 HB1 ALA 19 1HB ALA 19 11.156 -10.438 -5.727 142 HB2 ALA 19 2HB ALA 19 9.531 -10.505 -5.045 143 HB3 ALA 19 3HB ALA 19 10.831 -11.447 -4.318 144 H TYR 20 H TYR 20 9.252 -7.870 -5.124 145 HA TYR 20 HA TYR 20 10.932 -6.458 -6.936 146 HB2 TYR 20 2HB TYR 20 8.456 -6.667 -7.025 147 HB3 TYR 20 1HB TYR 20 8.330 -5.622 -5.612 148 HD1 TYR 20 1HD TYR 20 9.153 -5.776 -9.198 149 HD2 TYR 20 2HD TYR 20 8.831 -3.236 -5.749 150 HE1 TYR 20 1HE TYR 20 9.263 -3.775 -10.661 151 HE2 TYR 20 2HE TYR 20 8.941 -1.236 -7.211 152 HH TYR 20 HH TYR 20 8.683 -0.556 -9.417 153 H LEU 21 H LEU 21 9.370 -5.047 -4.039 154 HA LEU 21 HA LEU 21 10.721 -2.654 -3.820 155 HB2 LEU 21 2HB LEU 21 8.943 -3.823 -2.339 156 HB3 LEU 21 1HB LEU 21 10.317 -4.480 -1.450 157 HG LEU 21 HG LEU 21 9.843 -1.529 -1.960 158 HD11 LEU 21 1HD1 LEU 21 8.196 -2.086 -0.393 159 HD12 LEU 21 2HD1 LEU 21 9.559 -1.664 0.644 160 HD13 LEU 21 3HD1 LEU 21 9.178 -3.358 0.332 161 HD21 LEU 21 3HD2 LEU 21 12.157 -1.779 -1.666 162 HD22 LEU 21 1HD2 LEU 21 11.965 -3.134 -0.553 163 HD23 LEU 21 2HD2 LEU 21 11.601 -1.493 -0.016 164 H VAL 22 H VAL 22 11.927 -5.820 -2.675 165 HA VAL 22 HA VAL 22 14.336 -4.997 -1.472 166 HB VAL 22 HB VAL 22 13.809 -7.451 -3.177 167 HG11 VAL 22 1HG1 VAL 22 15.980 -7.838 -2.627 168 HG12 VAL 22 2HG1 VAL 22 15.343 -8.202 -1.023 169 HG13 VAL 22 3HG1 VAL 22 15.979 -6.595 -1.376 170 HG21 VAL 22 3HG2 VAL 22 12.594 -6.518 -0.723 171 HG22 VAL 22 1HG2 VAL 22 13.493 -8.005 -0.423 172 HG23 VAL 22 2HG2 VAL 22 12.229 -7.970 -1.654 173 H ALA 23 H ALA 23 13.790 -5.938 -4.873 174 HA ALA 23 HA ALA 23 16.379 -5.541 -5.890 175 HB1 ALA 23 1HB ALA 23 13.649 -4.970 -7.092 176 HB2 ALA 23 2HB ALA 23 14.522 -6.502 -7.153 177 HB3 ALA 23 3HB ALA 23 15.137 -5.102 -8.030 178 H LEU 24 H LEU 24 13.752 -3.138 -5.518 179 HA LEU 24 HA LEU 24 15.092 -0.891 -6.610 180 HB2 LEU 24 2HB LEU 24 12.650 -1.377 -5.699 181 HB3 LEU 24 1HB LEU 24 13.298 -0.682 -4.213 182 HG LEU 24 HG LEU 24 14.072 1.298 -5.572 183 HD11 LEU 24 1HD1 LEU 24 13.231 -0.432 -7.702 184 HD12 LEU 24 2HD1 LEU 24 14.005 1.148 -7.815 185 HD13 LEU 24 3HD1 LEU 24 12.247 1.030 -7.741 186 HD21 LEU 24 3HD2 LEU 24 11.159 1.188 -6.083 187 HD22 LEU 24 1HD2 LEU 24 12.090 2.345 -5.133 188 HD23 LEU 24 2HD2 LEU 24 11.640 0.790 -4.433 189 H VAL 25 H VAL 25 15.078 -2.191 -3.293 190 HA VAL 25 HA VAL 25 17.441 -0.444 -2.698 191 HB VAL 25 HB VAL 25 15.731 0.500 -1.412 192 HG11 VAL 25 1HG1 VAL 25 14.589 -2.248 -1.501 193 HG12 VAL 25 2HG1 VAL 25 13.796 -0.690 -1.725 194 HG13 VAL 25 3HG1 VAL 25 14.181 -1.258 -0.100 195 HG21 VAL 25 3HG2 VAL 25 16.091 -1.437 0.730 196 HG22 VAL 25 1HG2 VAL 25 16.615 0.244 0.636 197 HG23 VAL 25 2HG2 VAL 25 17.620 -1.030 -0.050 198 H GLY 26 H GLY 26 16.047 -2.863 -0.535 199 HA2 GLY 26 2HA GLY 26 17.540 -5.134 -1.226 200 HA3 GLY 26 1HA GLY 26 18.577 -4.171 -0.173 201 H ALA 27 H ALA 27 17.673 -6.695 0.644 202 HA ALA 27 HA ALA 27 15.274 -6.720 2.167 203 HB1 ALA 27 1HB ALA 27 16.183 -8.816 1.935 204 HB2 ALA 27 2HB ALA 27 16.913 -8.425 3.492 205 HB3 ALA 27 3HB ALA 27 17.838 -8.213 2.006 206 H ALA 28 H ALA 28 18.288 -5.108 2.753 207 HA ALA 28 HA ALA 28 18.130 -4.980 5.630 208 HB1 ALA 28 1HB ALA 28 19.722 -3.913 3.403 209 HB2 ALA 28 2HB ALA 28 20.245 -4.403 5.016 210 HB3 ALA 28 3HB ALA 28 19.582 -2.790 4.756 211 H ALA 29 H ALA 29 17.667 -2.372 3.216 212 HA ALA 29 HA ALA 29 16.339 -0.582 5.009 213 HB1 ALA 29 1HB ALA 29 16.433 0.726 3.149 214 HB2 ALA 29 2HB ALA 29 15.506 -0.438 2.202 215 HB3 ALA 29 3HB ALA 29 17.250 -0.630 2.373 216 H VAL 30 H VAL 30 15.239 -3.343 3.168 217 HA VAL 30 HA VAL 30 12.416 -2.765 3.201 218 HB VAL 30 HB VAL 30 14.128 -5.246 2.935 219 HG11 VAL 30 1HG1 VAL 30 11.492 -5.707 1.959 220 HG12 VAL 30 2HG1 VAL 30 11.344 -5.119 3.615 221 HG13 VAL 30 3HG1 VAL 30 12.323 -6.545 3.269 222 HG21 VAL 30 3HG2 VAL 30 12.336 -4.412 0.761 223 HG22 VAL 30 1HG2 VAL 30 14.057 -4.797 0.711 224 HG23 VAL 30 2HG2 VAL 30 13.529 -3.183 1.189 225 H THR 31 H THR 31 14.639 -4.340 5.475 226 HA THR 31 HA THR 31 12.523 -5.330 7.230 227 HB THR 31 HB THR 31 15.497 -4.881 7.660 228 HG1 THR 31 1HG THR 31 15.331 -7.279 7.244 229 HG21 THR 31 3HG2 THR 31 14.800 -5.344 9.795 230 HG22 THR 31 1HG2 THR 31 14.868 -7.000 9.193 231 HG23 THR 31 2HG2 THR 31 13.327 -6.146 9.252 232 H ALA 32 H ALA 32 14.858 -2.616 7.365 233 HA ALA 32 HA ALA 32 13.924 -1.543 9.863 234 HB1 ALA 32 1HB ALA 32 16.108 -1.118 8.662 235 HB2 ALA 32 2HB ALA 32 15.300 0.348 9.220 236 HB3 ALA 32 3HB ALA 32 15.215 -0.113 7.520 237 H ALA 33 H ALA 33 12.621 -1.464 6.661 238 HA ALA 33 HA ALA 33 11.012 0.970 7.116 239 HB1 ALA 33 1HB ALA 33 11.581 0.826 4.888 240 HB2 ALA 33 2HB ALA 33 10.094 -0.119 4.817 241 HB3 ALA 33 3HB ALA 33 11.654 -0.935 4.919 242 H ASN 34 H ASN 34 10.716 -1.632 8.733 243 HA ASN 34 HA ASN 34 8.974 -3.071 9.463 244 HB2 ASN 34 2HB ASN 34 8.537 -0.708 10.275 245 HB3 ASN 34 1HB ASN 34 7.406 -0.532 8.934 246 HD21 ASN 34 1HD2 ASN 34 7.161 -0.903 12.080 247 HD22 ASN 34 2HD2 ASN 34 5.914 -2.048 12.209 248 H ILE 35 H ILE 35 9.221 -4.165 7.210 249 HA ILE 35 HA ILE 35 6.651 -3.899 5.680 250 HB ILE 35 HB ILE 35 9.444 -4.746 4.838 251 HG12 ILE 35 2HG1 ILE 35 7.726 -2.317 4.241 252 HG13 ILE 35 1HG1 ILE 35 9.274 -2.345 5.088 253 HG21 ILE 35 1HG2 ILE 35 8.492 -5.779 3.080 254 HG22 ILE 35 2HG2 ILE 35 7.697 -4.270 2.629 255 HG23 ILE 35 3HG2 ILE 35 6.891 -5.400 3.717 256 HD11 ILE 35 3HD1 ILE 35 10.344 -3.232 3.007 257 HD12 ILE 35 1HD1 ILE 35 9.648 -1.625 2.791 258 HD13 ILE 35 2HD1 ILE 35 8.800 -3.044 2.175 259 H ARG 36 H ARG 36 5.343 -5.665 5.993 260 HA ARG 36 HA ARG 36 6.593 -8.203 6.950 261 HB2 ARG 36 2HB ARG 36 3.675 -7.398 6.889 262 HB3 ARG 36 1HB ARG 36 4.427 -8.643 7.886 263 HG2 ARG 36 2HG ARG 36 5.766 -6.882 9.028 264 HG3 ARG 36 1HG ARG 36 4.921 -5.657 8.080 265 HD2 ARG 36 2HD ARG 36 3.757 -5.778 10.180 266 HD3 ARG 36 1HD ARG 36 2.742 -6.666 9.025 267 HE ARG 36 HE ARG 36 4.294 -8.678 9.904 268 HH11 ARG 36 1HH2 ARG 36 5.083 -6.951 12.264 269 HH12 ARG 36 2HH2 ARG 36 3.927 -7.446 13.455 270 HH21 ARG 36 1HH1 ARG 36 1.812 -8.956 11.159 271 HH22 ARG 36 2HH1 ARG 36 2.075 -8.581 12.830 272 H ARG 37 H ARG 37 6.119 -10.176 5.894 273 HA ARG 37 HA ARG 37 5.343 -9.922 3.044 274 HB2 ARG 37 2HB ARG 37 6.914 -11.702 4.789 275 HB3 ARG 37 1HB ARG 37 5.962 -12.563 3.580 276 HG2 ARG 37 2HG ARG 37 6.933 -10.637 1.998 277 HG3 ARG 37 1HG ARG 37 8.222 -10.653 3.203 278 HD2 ARG 37 2HD ARG 37 8.433 -13.133 2.884 279 HD3 ARG 37 1HD ARG 37 7.246 -13.022 1.569 280 HE ARG 37 HE ARG 37 8.820 -11.515 0.386 281 HH11 ARG 37 1HH1 ARG 37 10.268 -11.310 3.241 282 HH12 ARG 37 2HH1 ARG 37 11.800 -11.984 2.793 283 HH21 ARG 37 1HH2 ARG 37 10.670 -13.212 -0.246 284 HH22 ARG 37 2HH2 ARG 37 12.028 -13.060 0.819 285 H ALA 38 H ALA 38 3.641 -11.274 2.148 286 HA ALA 38 HA ALA 38 1.743 -12.410 4.171 287 HB1 ALA 38 1HB ALA 38 0.590 -11.130 1.771 288 HB2 ALA 38 2HB ALA 38 1.438 -10.023 2.851 289 HB3 ALA 38 3HB ALA 38 0.100 -10.996 3.460 290 H SER 39 H SER 39 0.264 -14.031 3.214 291 HA SER 39 HA SER 39 1.419 -16.082 1.767 292 HB2 SER 39 2HB SER 39 -1.367 -15.058 2.142 293 HB3 SER 39 1HB SER 39 -1.117 -16.382 1.008 294 HG SER 39 HG SER 39 -0.000 -16.416 3.602 295 H SER 40 H SER 40 -0.126 -13.180 0.443 296 HA SER 40 HA SER 40 1.270 -13.542 -2.107 297 HB2 SER 40 2HB SER 40 -1.513 -14.408 -1.638 298 HB3 SER 40 1HB SER 40 -1.296 -13.409 -3.071 299 HG SER 40 HG SER 40 -0.007 -14.901 -3.932 300 H ASP 41 H ASP 41 -0.255 -11.874 -3.702 301 HA ASP 41 HA ASP 41 0.379 -9.258 -2.721 302 HB2 ASP 41 2HB ASP 41 -1.233 -10.436 -4.977 303 HB3 ASP 41 1HB ASP 41 -1.210 -8.689 -4.730 304 H ASN 42 H ASN 42 -2.240 -11.328 -2.006 305 HA ASN 42 HA ASN 42 -4.093 -9.094 -1.347 306 HB2 ASN 42 2HB ASN 42 -4.934 -11.047 -2.568 307 HB3 ASN 42 1HB ASN 42 -4.337 -12.120 -1.302 308 HD21 ASN 42 1HD2 ASN 42 -7.200 -11.414 -2.278 309 HD22 ASN 42 2HD2 ASN 42 -8.025 -11.032 -0.845 310 H HIS 43 H HIS 43 -3.429 -8.184 0.615 311 HA HIS 43 HA HIS 43 -3.395 -10.007 2.968 312 HB2 HIS 43 2HB HIS 43 -1.344 -8.531 3.690 313 HB3 HIS 43 1HB HIS 43 -1.094 -9.866 2.570 314 HD1 HIS 43 1HD HIS 43 -1.371 -6.090 2.654 315 HD2 HIS 43 2HD HIS 43 -0.287 -9.108 -0.009 316 HE1 HIS 43 1HE HIS 43 -0.268 -4.939 0.675 317 H SER 44 H SER 44 -3.185 -8.505 5.029 318 HA SER 44 HA SER 44 -5.403 -6.618 4.934 319 HB2 SER 44 2HB SER 44 -4.475 -6.314 7.380 320 HB3 SER 44 1HB SER 44 -5.208 -7.847 6.922 321 HG SER 44 HG SER 44 -3.297 -8.431 7.764 322 H CYS 45 H CYS 45 -5.230 -4.408 4.631 323 HA CYS 45 HA CYS 45 -2.484 -3.215 4.830 324 HB2 CYS 45 2HB CYS 45 -3.388 -1.692 2.968 325 HB3 CYS 45 1HB CYS 45 -3.037 -3.357 2.530 326 H ALA 46 H ALA 46 -2.699 -0.729 4.979 327 HA ALA 46 HA ALA 46 -3.334 1.072 6.387 328 HB1 ALA 46 1HB ALA 46 -6.171 0.197 6.175 329 HB2 ALA 46 2HB ALA 46 -5.316 0.422 4.649 330 HB3 ALA 46 3HB ALA 46 -5.450 1.760 5.790 331 H GLY 47 H GLY 47 -2.665 -1.411 7.717 332 HA2 GLY 47 2HA GLY 47 -2.786 -2.314 9.883 333 HA3 GLY 47 1HA GLY 47 -3.759 -0.909 10.330 334 H ASN 48 H ASN 48 -5.299 -2.183 11.502 335 HA ASN 48 HA ASN 48 -6.716 -4.348 10.128 336 HB2 ASN 48 2HB ASN 48 -6.114 -3.654 12.744 337 HB3 ASN 48 1HB ASN 48 -7.834 -3.282 12.621 338 HD21 ASN 48 1HD2 ASN 48 -6.685 -5.523 14.152 339 HD22 ASN 48 2HD2 ASN 48 -7.301 -6.948 13.465 340 H ARG 49 H ARG 49 -6.929 -1.805 8.790 341 HA ARG 49 HA ARG 49 -9.747 -1.009 9.364 342 HB2 ARG 49 2HB ARG 49 -7.340 0.387 8.183 343 HB3 ARG 49 1HB ARG 49 -8.960 1.075 8.112 344 HG2 ARG 49 2HG ARG 49 -8.454 0.176 10.792 345 HG3 ARG 49 1HG ARG 49 -7.116 1.201 10.270 346 HD2 ARG 49 2HD ARG 49 -8.592 3.030 9.767 347 HD3 ARG 49 1HD ARG 49 -10.025 1.999 9.938 348 HE ARG 49 HE ARG 49 -8.699 1.731 12.367 349 HH11 ARG 49 1HH2 ARG 49 -7.701 4.483 12.089 350 HH12 ARG 49 2HH2 ARG 49 -8.998 5.437 12.724 351 HH21 ARG 49 1HH1 ARG 49 -11.341 2.893 12.492 352 HH22 ARG 49 2HH1 ARG 49 -11.058 4.538 12.952 353 H GLY 50 H GLY 50 -7.453 -1.851 6.763 354 HA2 GLY 50 2HA GLY 50 -9.841 -2.335 5.026 355 HA3 GLY 50 1HA GLY 50 -8.416 -1.518 4.385 356 H TRP 51 H TRP 51 -9.112 -3.721 3.043 357 HA TRP 51 HA TRP 51 -7.018 -5.710 3.825 358 HB2 TRP 51 2HB TRP 51 -9.951 -5.989 3.652 359 HB3 TRP 51 1HB TRP 51 -9.062 -7.231 2.774 360 HD1 TRP 51 HD TRP 51 -10.263 -6.400 6.135 361 HE1 TRP 51 1HE TRP 51 -9.166 -7.917 7.906 362 HE3 TRP 51 3HE TRP 51 -6.498 -8.432 3.347 363 HZ2 TRP 51 2HZ TRP 51 -6.981 -9.751 8.113 364 HZ3 TRP 51 3HZ TRP 51 -4.925 -10.057 4.355 365 HH2 TRP 51 HH TRP 51 -5.161 -10.721 6.733 366 H CYS 52 H CYS 52 -6.637 -7.229 1.829 367 HA CYS 52 HA CYS 52 -6.740 -5.516 -0.620 368 HB2 CYS 52 2HB CYS 52 -4.602 -6.460 0.534 369 HB3 CYS 52 1HB CYS 52 -5.074 -7.989 -0.208 370 H ARG 53 H ARG 53 -8.231 -6.088 -2.109 371 HA ARG 53 HA ARG 53 -8.863 -8.990 -2.513 372 HB2 ARG 53 2HB ARG 53 -10.818 -6.670 -2.629 373 HB3 ARG 53 1HB ARG 53 -11.208 -8.383 -2.704 374 HG2 ARG 53 2HG ARG 53 -11.299 -8.517 -0.464 375 HG3 ARG 53 1HG ARG 53 -9.684 -7.825 -0.314 376 HD2 ARG 53 2HD ARG 53 -10.683 -5.544 -0.632 377 HD3 ARG 53 1HD ARG 53 -12.291 -6.294 -0.588 378 HE ARG 53 HE ARG 53 -10.338 -6.369 1.674 379 HH11 ARG 53 1HH1 ARG 53 -12.864 -4.707 1.768 380 HH12 ARG 53 2HH1 ARG 53 -13.928 -5.741 2.662 381 HH21 ARG 53 1HH2 ARG 53 -11.977 -8.574 2.218 382 HH22 ARG 53 2HH2 ARG 53 -13.425 -7.931 2.917 383 H SER 54 H SER 54 -9.505 -9.440 -4.784 384 HA SER 54 HA SER 54 -8.018 -8.174 -6.796 385 HB2 SER 54 2HB SER 54 -8.996 -10.030 -7.697 386 HB3 SER 54 1HB SER 54 -10.333 -9.962 -6.552 387 HG SER 54 HG SER 54 -10.968 -9.603 -8.748 388 H LYS 55 H LYS 55 -11.381 -7.581 -5.865 389 HA LYS 55 HA LYS 55 -11.156 -4.790 -6.883 390 HB2 LYS 55 2HB LYS 55 -13.035 -7.016 -7.500 391 HB3 LYS 55 1HB LYS 55 -13.749 -5.407 -7.333 392 HG2 LYS 55 2HG LYS 55 -11.322 -5.163 -8.759 393 HG3 LYS 55 1HG LYS 55 -12.259 -6.444 -9.530 394 HD2 LYS 55 2HD LYS 55 -13.884 -5.000 -10.239 395 HD3 LYS 55 1HD LYS 55 -13.801 -4.033 -8.767 396 HE2 LYS 55 2HE LYS 55 -12.928 -2.563 -10.396 397 HE3 LYS 55 1HE LYS 55 -11.457 -3.289 -9.717 398 HZ1 LYS 55 3HZ LYS 55 -11.175 -3.686 -11.956 399 HZ2 LYS 55 1HZ LYS 55 -12.832 -3.908 -12.246 400 HZ3 LYS 55 2HZ LYS 55 -11.937 -5.123 -11.465 401 H CYS 56 H CYS 56 -13.266 -3.605 -6.027 402 HA CYS 56 HA CYS 56 -13.718 -4.421 -3.166 403 HB2 CYS 56 2HB CYS 56 -13.569 -1.561 -4.118 404 HB3 CYS 56 1HB CYS 56 -13.374 -2.176 -2.483 405 H PHE 57 H PHE 57 -15.803 -3.613 -2.289 406 HA PHE 57 HA PHE 57 -17.954 -3.816 -4.263 407 HB2 PHE 57 2HB PHE 57 -17.703 -3.508 -1.276 408 HB3 PHE 57 1HB PHE 57 -19.279 -3.382 -2.056 409 HD1 PHE 57 2HD PHE 57 -19.399 -5.307 -4.104 410 HD2 PHE 57 1HD PHE 57 -17.364 -5.612 -0.333 411 HE1 PHE 57 2HE PHE 57 -19.546 -7.781 -4.224 412 HE2 PHE 57 1HE PHE 57 -17.511 -8.084 -0.454 413 HZ PHE 57 HZ PHE 57 -18.602 -9.169 -2.399 414 H ARG 58 H ARG 58 -19.869 -2.119 -3.698 415 HA ARG 58 HA ARG 58 -18.871 0.479 -4.546 416 HB2 ARG 58 2HB ARG 58 -21.097 -0.934 -5.031 417 HB3 ARG 58 1HB ARG 58 -21.685 0.013 -3.665 418 HG2 ARG 58 2HG ARG 58 -21.064 2.092 -4.799 419 HG3 ARG 58 1HG ARG 58 -20.390 1.176 -6.149 420 HD2 ARG 58 2HD ARG 58 -22.437 1.002 -7.101 421 HD3 ARG 58 1HD ARG 58 -23.108 0.310 -5.612 422 HE ARG 58 HE ARG 58 -23.463 2.610 -4.786 423 HH11 ARG 58 1HH1 ARG 58 -21.701 2.796 -7.654 424 HH12 ARG 58 2HH1 ARG 58 -22.621 4.097 -8.333 425 HH21 ARG 58 1HH2 ARG 58 -25.028 4.050 -5.836 426 HH22 ARG 58 2HH2 ARG 58 -24.505 4.808 -7.304 427 H HIS 59 H HIS 59 -20.333 -0.894 -1.619 428 HA HIS 59 HA HIS 59 -20.622 1.523 -0.130 429 HB2 HIS 59 2HB HIS 59 -20.858 -1.304 0.197 430 HB3 HIS 59 1HB HIS 59 -19.879 -0.699 1.533 431 HD1 HIS 59 1HD HIS 59 -21.105 0.445 3.400 432 HD2 HIS 59 2HD HIS 59 -23.440 0.151 -0.040 433 HE1 HIS 59 1HE HIS 59 -23.413 1.276 4.028 434 H GLU 60 H GLU 60 -17.809 -0.123 -1.202 435 HA GLU 60 HA GLU 60 -16.128 1.396 0.762 436 HB2 GLU 60 2HB GLU 60 -15.986 -1.374 -0.421 437 HB3 GLU 60 1HB GLU 60 -14.541 -0.596 0.212 438 HG2 GLU 60 2HG GLU 60 -16.409 -0.139 2.203 439 HG3 GLU 60 1HG GLU 60 -16.801 -1.769 1.655 440 H TYR 61 H TYR 61 -13.687 0.984 -0.469 441 HA TYR 61 HA TYR 61 -13.892 1.680 -3.332 442 HB2 TYR 61 2HB TYR 61 -12.918 3.869 -3.067 443 HB3 TYR 61 1HB TYR 61 -14.271 3.779 -1.945 444 HD1 TYR 61 2HD TYR 61 -13.542 2.614 0.418 445 HD2 TYR 61 1HD TYR 61 -10.956 4.819 -2.210 446 HE1 TYR 61 2HE TYR 61 -12.029 3.091 2.316 447 HE2 TYR 61 1HE TYR 61 -9.446 5.300 -0.304 448 HH TYR 61 HH TYR 61 -8.930 4.711 1.830 449 H VAL 62 H VAL 62 -11.322 2.699 -3.615 450 HA VAL 62 HA VAL 62 -9.609 0.444 -2.613 451 HB VAL 62 HB VAL 62 -9.648 1.987 -5.229 452 HG11 VAL 62 1HG1 VAL 62 -7.856 0.081 -5.719 453 HG12 VAL 62 2HG1 VAL 62 -7.593 0.207 -3.980 454 HG13 VAL 62 3HG1 VAL 62 -7.373 1.622 -5.009 455 HG21 VAL 62 3HG2 VAL 62 -11.214 -0.086 -4.557 456 HG22 VAL 62 1HG2 VAL 62 -9.776 -0.989 -5.034 457 HG23 VAL 62 2HG2 VAL 62 -10.559 0.096 -6.184 458 H ASP 63 H ASP 63 -8.721 1.633 -0.811 459 HA ASP 63 HA ASP 63 -7.945 4.340 -0.794 460 HB2 ASP 63 2HB ASP 63 -6.211 3.423 0.913 461 HB3 ASP 63 1HB ASP 63 -7.920 3.150 1.249 462 H THR 64 H THR 64 -7.057 4.847 -2.850 463 HA THR 64 HA THR 64 -5.062 3.628 -4.331 464 HB THR 64 HB THR 64 -4.354 6.254 -4.511 465 HG1 THR 64 1HG THR 64 -5.674 7.416 -3.400 466 HG21 THR 64 3HG2 THR 64 -6.908 5.004 -5.560 467 HG22 THR 64 1HG2 THR 64 -5.316 4.861 -6.303 468 HG23 THR 64 2HG2 THR 64 -6.116 6.431 -6.227 469 H TYR 65 H TYR 65 -4.688 5.140 -1.198 470 HA TYR 65 HA TYR 65 -1.855 5.582 -1.253 471 HB2 TYR 65 2HB TYR 65 -3.703 6.397 0.353 472 HB3 TYR 65 1HB TYR 65 -3.509 4.844 1.162 473 HD1 TYR 65 1HD TYR 65 -1.182 7.376 -0.353 474 HD2 TYR 65 2HD TYR 65 -2.167 4.958 3.056 475 HE1 TYR 65 1HE TYR 65 0.820 8.232 0.832 476 HE2 TYR 65 2HE TYR 65 -0.164 5.814 4.243 477 HH TYR 65 HH TYR 65 1.968 8.240 2.729 478 H TYR 66 H TYR 66 -3.751 2.856 0.126 479 HA TYR 66 HA TYR 66 -1.278 1.348 0.612 480 HB2 TYR 66 2HB TYR 66 -4.167 1.178 1.264 481 HB3 TYR 66 1HB TYR 66 -3.271 -0.344 1.247 482 HD1 TYR 66 1HD TYR 66 -1.086 -0.481 2.578 483 HD2 TYR 66 2HD TYR 66 -3.935 2.696 3.069 484 HE1 TYR 66 1HE TYR 66 -0.073 0.088 4.768 485 HE2 TYR 66 2HE TYR 66 -2.924 3.264 5.261 486 HH TYR 66 HH TYR 66 -0.233 1.345 6.595 487 H SER 67 H SER 67 -3.264 1.744 -2.086 488 HA SER 67 HA SER 67 -3.557 -0.851 -3.185 489 HB2 SER 67 2HB SER 67 -4.487 1.212 -4.143 490 HB3 SER 67 1HB SER 67 -2.865 1.812 -4.478 491 HG SER 67 HG SER 67 -3.407 0.883 -6.344 492 H ALA 68 H ALA 68 -0.695 0.991 -2.545 493 HA ALA 68 HA ALA 68 1.070 -0.142 -4.518 494 HB1 ALA 68 1HB ALA 68 1.085 1.722 -2.359 495 HB2 ALA 68 2HB ALA 68 2.308 1.506 -3.611 496 HB3 ALA 68 3HB ALA 68 2.420 0.599 -2.103 497 H VAL 69 H VAL 69 0.646 -0.927 -1.026 498 HA VAL 69 HA VAL 69 2.447 -3.164 -1.082 499 HB VAL 69 HB VAL 69 1.663 -1.852 0.929 500 HG11 VAL 69 1HG1 VAL 69 -0.631 -1.581 0.735 501 HG12 VAL 69 2HG1 VAL 69 -0.528 -2.900 1.899 502 HG13 VAL 69 3HG1 VAL 69 -0.884 -3.244 0.208 503 HG21 VAL 69 3HG2 VAL 69 1.859 -4.764 0.683 504 HG22 VAL 69 1HG2 VAL 69 1.005 -4.232 2.129 505 HG23 VAL 69 2HG2 VAL 69 2.651 -3.678 1.824 506 H CYS 70 H CYS 70 -0.936 -2.757 -1.898 507 HA CYS 70 HA CYS 70 -1.733 -5.518 -1.790 508 HB2 CYS 70 2HB CYS 70 -2.670 -2.935 -2.829 509 HB3 CYS 70 1HB CYS 70 -3.212 -4.309 -3.794 510 H GLY 71 H GLY 71 -0.422 -3.506 -4.440 511 HA2 GLY 71 2HA GLY 71 0.880 -4.205 -6.286 512 HA3 GLY 71 1HA GLY 71 0.791 -5.858 -5.676 513 H ARG 72 H ARG 72 -0.127 -7.109 -7.224 514 HA ARG 72 HA ARG 72 -1.708 -6.290 -9.396 515 HB2 ARG 72 2HB ARG 72 -1.696 -8.884 -7.819 516 HB3 ARG 72 1HB ARG 72 -2.348 -8.702 -9.447 517 HG2 ARG 72 2HG ARG 72 -0.166 -8.085 -10.314 518 HG3 ARG 72 1HG ARG 72 0.517 -8.075 -8.689 519 HD2 ARG 72 2HD ARG 72 0.980 -10.280 -8.894 520 HD3 ARG 72 1HD ARG 72 -0.753 -10.612 -9.088 521 HE ARG 72 HE ARG 72 0.167 -9.544 -11.543 522 HH11 ARG 72 1HH2 ARG 72 -0.197 -12.417 -9.762 523 HH12 ARG 72 2HH2 ARG 72 0.554 -13.431 -10.949 524 HH21 ARG 72 1HH1 ARG 72 1.507 -10.794 -12.987 525 HH22 ARG 72 2HH1 ARG 72 1.519 -12.513 -12.774 526 H TYR 73 H TYR 73 -2.696 -7.106 -6.090 527 HA TYR 73 HA TYR 73 -5.566 -6.883 -6.762 528 HB2 TYR 73 2HB TYR 73 -3.880 -7.538 -4.353 529 HB3 TYR 73 1HB TYR 73 -5.598 -7.192 -4.156 530 HD1 TYR 73 1HD TYR 73 -4.401 -8.686 -7.279 531 HD2 TYR 73 2HD TYR 73 -6.027 -9.507 -3.388 532 HE1 TYR 73 1HE TYR 73 -4.952 -10.994 -7.995 533 HE2 TYR 73 2HE TYR 73 -6.577 -11.816 -4.106 534 HH TYR 73 HH TYR 73 -5.634 -13.017 -7.312 535 H PHE 74 H PHE 74 -6.722 -5.523 -4.797 536 HA PHE 74 HA PHE 74 -5.367 -2.848 -4.675 537 HB2 PHE 74 2HB PHE 74 -8.297 -3.465 -5.172 538 HB3 PHE 74 1HB PHE 74 -7.574 -1.858 -5.123 539 HD1 PHE 74 2HD PHE 74 -5.101 -2.114 -6.601 540 HD2 PHE 74 1HD PHE 74 -8.921 -3.921 -7.360 541 HE1 PHE 74 2HE PHE 74 -4.538 -2.300 -9.009 542 HE2 PHE 74 1HE PHE 74 -8.362 -4.109 -9.767 543 HZ PHE 74 HZ PHE 74 -6.165 -3.297 -10.594 544 H CYS 75 H CYS 75 -5.430 -1.924 -2.642 545 HA CYS 75 HA CYS 75 -6.534 -3.487 -0.426 546 HB2 CYS 75 2HB CYS 75 -4.435 -2.345 -0.139 547 HB3 CYS 75 1HB CYS 75 -5.111 -0.827 -0.727 548 H CYS 76 H CYS 76 -8.814 -3.432 -0.484 549 HA CYS 76 HA CYS 76 -10.213 -0.923 -1.066 550 HB2 CYS 76 2HB CYS 76 -11.339 -3.510 0.017 551 HB3 CYS 76 1HB CYS 76 -12.171 -2.300 -0.951 552 H ARG 77 H ARG 77 -11.792 -0.027 0.509 553 HA ARG 77 HA ARG 77 -11.370 -0.667 3.362 554 HB2 ARG 77 2HB ARG 77 -10.094 1.544 1.881 555 HB3 ARG 77 1HB ARG 77 -10.898 2.043 3.370 556 HG2 ARG 77 2HG ARG 77 -9.673 0.171 4.550 557 HG3 ARG 77 1HG ARG 77 -8.742 -0.060 3.068 558 HD2 ARG 77 2HD ARG 77 -7.422 1.414 4.430 559 HD3 ARG 77 1HD ARG 77 -8.197 2.465 3.228 560 HE ARG 77 HE ARG 77 -10.056 2.410 5.246 561 HH11 ARG 77 1HH1 ARG 77 -6.923 3.625 4.693 562 HH12 ARG 77 2HH1 ARG 77 -6.793 4.418 6.227 563 HH21 ARG 77 1HH2 ARG 77 -9.792 3.156 7.430 564 HH22 ARG 77 2HH2 ARG 77 -8.419 4.153 7.777 565 H SER 78 H SER 78 -12.587 1.300 4.621 566 HA SER 78 HA SER 78 -15.185 1.720 3.175 567 HB2 SER 78 2HB SER 78 -14.533 0.356 5.573 568 HB3 SER 78 1HB SER 78 -15.375 1.826 6.054 569 HG SER 78 HG SER 78 -17.149 1.068 5.207 570 H ARG 79 H ARG 79 -14.233 3.821 2.447 571 HA ARG 79 HA ARG 79 -13.171 5.886 3.949 572 HB2 ARG 79 2HB ARG 79 -15.023 5.639 1.631 573 HB3 ARG 79 1HB ARG 79 -14.885 7.240 2.357 574 HG2 ARG 79 2HG ARG 79 -12.251 6.354 2.228 575 HG3 ARG 79 1HG ARG 79 -12.958 5.781 0.717 576 HD2 ARG 79 2HD ARG 79 -13.316 8.629 1.694 577 HD3 ARG 79 1HD ARG 79 -11.995 8.140 0.615 578 HE ARG 79 HE ARG 79 -14.895 7.808 -0.055 579 HH11 ARG 79 1HH1 ARG 79 -12.588 9.784 -1.081 580 HH12 ARG 79 2HH1 ARG 79 -12.417 9.158 -2.687 581 HH21 ARG 79 1HH2 ARG 79 -14.245 6.282 -2.047 582 HH22 ARG 79 2HH2 ARG 79 -13.355 7.176 -3.234 Start of MODEL 17 1 H1 ASN 1 1HT ASN 1 12.119 10.926 -11.495 2 H2 ASN 1 2HT ASN 1 13.251 10.487 -12.684 3 H3 ASN 1 3HT ASN 1 13.687 11.571 -11.450 4 HA ASN 1 HA ASN 1 13.339 8.647 -11.316 5 HB2 ASN 1 2HB ASN 1 15.519 9.824 -11.697 6 HB3 ASN 1 1HB ASN 1 15.304 10.646 -10.151 7 HD21 ASN 1 1HD2 ASN 1 14.715 7.217 -11.112 8 HD22 ASN 1 2HD2 ASN 1 15.709 6.557 -9.904 9 HA PRO 2 HA PRO 2 10.902 9.963 -7.681 10 HB2 PRO 2 2HB PRO 2 9.332 7.723 -7.644 11 HB3 PRO 2 1HB PRO 2 8.984 9.130 -8.669 12 HG2 PRO 2 2HG PRO 2 10.235 6.529 -9.385 13 HG3 PRO 2 1HG PRO 2 9.108 7.533 -10.310 14 HD2 PRO 2 2HD PRO 2 11.802 7.443 -10.777 15 HD3 PRO 2 1HD PRO 2 10.774 8.838 -11.169 16 H LEU 3 H LEU 3 10.287 8.287 -5.716 17 HA LEU 3 HA LEU 3 12.659 6.513 -5.256 18 HB2 LEU 3 2HB LEU 3 11.918 9.013 -4.008 19 HB3 LEU 3 1HB LEU 3 11.897 7.719 -2.810 20 HG LEU 3 HG LEU 3 14.203 7.829 -4.708 21 HD11 LEU 3 1HD1 LEU 3 13.627 10.175 -3.647 22 HD12 LEU 3 2HD1 LEU 3 15.291 9.591 -3.640 23 HD13 LEU 3 3HD1 LEU 3 14.302 9.454 -2.187 24 HD21 LEU 3 3HD2 LEU 3 13.543 6.805 -1.986 25 HD22 LEU 3 1HD2 LEU 3 15.208 7.314 -2.263 26 HD23 LEU 3 2HD2 LEU 3 14.493 6.055 -3.268 27 H ILE 4 H ILE 4 11.994 5.608 -2.734 28 HA ILE 4 HA ILE 4 9.832 3.754 -3.275 29 HB ILE 4 HB ILE 4 11.752 4.401 -1.072 30 HG12 ILE 4 2HG1 ILE 4 12.152 2.791 -3.009 31 HG13 ILE 4 1HG1 ILE 4 12.415 2.120 -1.398 32 HG21 ILE 4 1HG2 ILE 4 9.063 3.214 -0.672 33 HG22 ILE 4 2HG2 ILE 4 10.131 3.996 0.492 34 HG23 ILE 4 3HG2 ILE 4 10.399 2.313 0.043 35 HD11 ILE 4 3HD1 ILE 4 9.809 1.854 -2.919 36 HD12 ILE 4 1HD1 ILE 4 10.253 1.041 -1.419 37 HD13 ILE 4 2HD1 ILE 4 11.075 0.625 -2.924 38 HA PRO 5 HA PRO 5 6.562 6.218 -1.632 39 HB2 PRO 5 2HB PRO 5 4.702 4.242 -1.340 40 HB3 PRO 5 1HB PRO 5 5.147 4.916 -2.915 41 HG2 PRO 5 2HG PRO 5 5.923 2.350 -1.676 42 HG3 PRO 5 1HG PRO 5 5.674 2.749 -3.379 43 HD2 PRO 5 2HD PRO 5 8.142 2.499 -2.131 44 HD3 PRO 5 1HD PRO 5 7.846 3.335 -3.670 45 H ALA 6 H ALA 6 5.251 6.325 0.378 46 HA ALA 6 HA ALA 6 6.745 5.358 2.697 47 HB1 ALA 6 1HB ALA 6 4.906 7.463 1.979 48 HB2 ALA 6 2HB ALA 6 5.956 7.357 3.393 49 HB3 ALA 6 3HB ALA 6 4.339 6.654 3.440 50 H ILE 7 H ILE 7 3.913 4.456 0.916 51 HA ILE 7 HA ILE 7 2.291 3.183 2.808 52 HB ILE 7 HB ILE 7 1.532 3.353 0.584 53 HG12 ILE 7 2HG1 ILE 7 0.952 1.114 -0.047 54 HG13 ILE 7 1HG1 ILE 7 2.382 0.454 0.747 55 HG21 ILE 7 1HG2 ILE 7 2.933 3.309 -1.181 56 HG22 ILE 7 2HG2 ILE 7 3.371 1.636 -0.846 57 HG23 ILE 7 3HG2 ILE 7 4.253 2.947 -0.073 58 HD11 ILE 7 3HD1 ILE 7 0.105 1.872 2.160 59 HD12 ILE 7 1HD1 ILE 7 1.512 1.145 2.934 60 HD13 ILE 7 2HD1 ILE 7 0.336 0.124 2.109 61 H TYR 8 H TYR 8 4.867 1.547 0.923 62 HA TYR 8 HA TYR 8 4.796 -0.962 2.121 63 HB2 TYR 8 2HB TYR 8 7.192 0.704 1.289 64 HB3 TYR 8 1HB TYR 8 7.198 -1.048 1.482 65 HD1 TYR 8 1HD TYR 8 4.354 -1.519 0.427 66 HD2 TYR 8 2HD TYR 8 7.654 0.781 -1.078 67 HE1 TYR 8 1HE TYR 8 3.478 -1.773 -1.873 68 HE2 TYR 8 2HE TYR 8 6.775 0.528 -3.382 69 HH TYR 8 HH TYR 8 5.308 -0.631 -4.672 70 H ILE 9 H ILE 9 5.986 2.048 3.483 71 HA ILE 9 HA ILE 9 7.481 0.875 5.659 72 HB ILE 9 HB ILE 9 6.076 3.559 5.467 73 HG12 ILE 9 2HG1 ILE 9 8.766 2.609 4.443 74 HG13 ILE 9 1HG1 ILE 9 7.450 3.313 3.504 75 HG21 ILE 9 1HG2 ILE 9 8.610 3.638 6.783 76 HG22 ILE 9 2HG2 ILE 9 7.671 2.326 7.496 77 HG23 ILE 9 3HG2 ILE 9 7.018 3.964 7.468 78 HD11 ILE 9 3HD1 ILE 9 9.589 4.662 4.866 79 HD12 ILE 9 1HD1 ILE 9 8.054 5.150 5.585 80 HD13 ILE 9 2HD1 ILE 9 8.322 5.356 3.855 81 H GLY 10 H GLY 10 6.688 -0.073 7.486 82 HA2 GLY 10 2HA GLY 10 5.132 -0.825 9.077 83 HA3 GLY 10 1HA GLY 10 4.384 0.768 8.919 84 H ALA 11 H ALA 11 4.802 -1.448 6.231 85 HA ALA 11 HA ALA 11 1.807 -1.752 6.123 86 HB1 ALA 11 1HB ALA 11 2.806 -2.137 3.564 87 HB2 ALA 11 2HB ALA 11 3.874 -0.900 4.224 88 HB3 ALA 11 3HB ALA 11 2.133 -0.626 4.177 89 H THR 12 H THR 12 1.699 -3.677 4.092 90 HA THR 12 HA THR 12 3.423 -5.955 4.935 91 HB THR 12 HB THR 12 0.412 -5.794 5.264 92 HG1 THR 12 1HG THR 12 1.635 -5.001 6.991 93 HG21 THR 12 3HG2 THR 12 0.742 -7.955 4.391 94 HG22 THR 12 1HG2 THR 12 0.788 -8.202 6.137 95 HG23 THR 12 2HG2 THR 12 2.290 -8.148 5.214 96 H VAL 13 H VAL 13 4.138 -6.049 2.712 97 HA VAL 13 HA VAL 13 2.114 -6.248 0.568 98 HB VAL 13 HB VAL 13 4.040 -6.174 -0.864 99 HG11 VAL 13 1HG1 VAL 13 4.942 -4.636 1.576 100 HG12 VAL 13 2HG1 VAL 13 3.542 -4.136 0.626 101 HG13 VAL 13 3HG1 VAL 13 5.138 -4.202 -0.123 102 HG21 VAL 13 3HG2 VAL 13 6.349 -6.323 0.521 103 HG22 VAL 13 1HG2 VAL 13 5.589 -7.741 -0.201 104 HG23 VAL 13 2HG2 VAL 13 5.360 -7.394 1.513 105 H GLY 14 H GLY 14 3.118 -8.169 -1.096 106 HA2 GLY 14 2HA GLY 14 2.680 -10.668 0.474 107 HA3 GLY 14 1HA GLY 14 2.363 -10.492 -1.254 108 HA PRO 15 HA PRO 15 6.512 -12.416 -0.817 109 HB2 PRO 15 2HB PRO 15 6.088 -14.370 -2.687 110 HB3 PRO 15 1HB PRO 15 5.640 -14.556 -0.980 111 HG2 PRO 15 2HG PRO 15 3.931 -13.916 -3.325 112 HG3 PRO 15 1HG PRO 15 3.575 -14.908 -1.904 113 HD2 PRO 15 2HD PRO 15 2.683 -12.336 -2.251 114 HD3 PRO 15 1HD PRO 15 2.897 -13.115 -0.667 115 H SER 16 H SER 16 4.614 -11.986 -3.823 116 HA SER 16 HA SER 16 6.865 -11.594 -5.565 117 HB2 SER 16 2HB SER 16 5.185 -11.049 -7.139 118 HB3 SER 16 1HB SER 16 4.347 -12.101 -6.002 119 HG SER 16 HG SER 16 3.202 -10.148 -6.472 120 H VAL 17 H VAL 17 4.677 -9.242 -3.969 121 HA VAL 17 HA VAL 17 5.941 -6.872 -4.901 122 HB VAL 17 HB VAL 17 4.570 -7.424 -2.248 123 HG11 VAL 17 1HG1 VAL 17 3.814 -4.942 -2.910 124 HG12 VAL 17 2HG1 VAL 17 5.366 -4.969 -3.748 125 HG13 VAL 17 3HG1 VAL 17 5.298 -5.249 -2.008 126 HG21 VAL 17 3HG2 VAL 17 2.776 -6.245 -4.053 127 HG22 VAL 17 1HG2 VAL 17 2.764 -7.922 -3.511 128 HG23 VAL 17 2HG2 VAL 17 3.609 -7.481 -4.996 129 H TRP 18 H TRP 18 6.463 -8.699 -1.865 130 HA TRP 18 HA TRP 18 8.430 -7.140 -0.642 131 HB2 TRP 18 2HB TRP 18 7.425 -9.194 0.277 132 HB3 TRP 18 1HB TRP 18 8.263 -10.158 -0.935 133 HD1 TRP 18 HD TRP 18 10.870 -10.504 -0.675 134 HE1 TRP 18 1HE TRP 18 12.470 -10.190 1.321 135 HE3 TRP 18 3HE TRP 18 7.893 -7.736 2.418 136 HZ2 TRP 18 2HZ TRP 18 12.487 -8.932 3.890 137 HZ3 TRP 18 3HZ TRP 18 8.726 -6.995 4.631 138 HH2 TRP 18 HH TRP 18 11.017 -7.588 5.370 139 H ALA 19 H ALA 19 9.223 -9.980 -2.665 140 HA ALA 19 HA ALA 19 11.947 -9.567 -3.019 141 HB1 ALA 19 1HB ALA 19 10.588 -11.490 -3.818 142 HB2 ALA 19 2HB ALA 19 11.637 -10.864 -5.090 143 HB3 ALA 19 3HB ALA 19 9.919 -10.469 -5.090 144 H TYR 20 H TYR 20 9.293 -7.894 -4.653 145 HA TYR 20 HA TYR 20 10.878 -6.584 -6.671 146 HB2 TYR 20 2HB TYR 20 8.380 -6.921 -6.603 147 HB3 TYR 20 1HB TYR 20 8.301 -5.690 -5.342 148 HD1 TYR 20 1HD TYR 20 8.878 -3.337 -5.834 149 HD2 TYR 20 2HD TYR 20 8.838 -6.338 -8.909 150 HE1 TYR 20 1HE TYR 20 8.883 -1.563 -7.567 151 HE2 TYR 20 2HE TYR 20 8.844 -4.563 -10.641 152 HH TYR 20 HH TYR 20 9.350 -2.289 -10.939 153 H LEU 21 H LEU 21 9.269 -4.965 -3.917 154 HA LEU 21 HA LEU 21 10.665 -2.583 -3.861 155 HB2 LEU 21 2HB LEU 21 8.784 -3.619 -2.372 156 HB3 LEU 21 1HB LEU 21 10.113 -4.146 -1.342 157 HG LEU 21 HG LEU 21 9.470 -1.297 -2.153 158 HD11 LEU 21 1HD1 LEU 21 9.485 -1.214 0.491 159 HD12 LEU 21 2HD1 LEU 21 9.160 -2.941 0.336 160 HD13 LEU 21 3HD1 LEU 21 8.050 -1.767 -0.372 161 HD21 LEU 21 3HD2 LEU 21 11.802 -1.265 -2.063 162 HD22 LEU 21 1HD2 LEU 21 11.873 -2.559 -0.868 163 HD23 LEU 21 2HD2 LEU 21 11.391 -0.935 -0.380 164 H VAL 22 H VAL 22 11.825 -5.749 -2.822 165 HA VAL 22 HA VAL 22 14.141 -4.914 -1.366 166 HB VAL 22 HB VAL 22 13.354 -7.368 -2.941 167 HG11 VAL 22 1HG1 VAL 22 15.502 -8.046 -2.937 168 HG12 VAL 22 2HG1 VAL 22 15.465 -8.006 -1.174 169 HG13 VAL 22 3HG1 VAL 22 15.998 -6.588 -2.078 170 HG21 VAL 22 3HG2 VAL 22 12.352 -6.580 -0.638 171 HG22 VAL 22 1HG2 VAL 22 13.873 -7.189 0.015 172 HG23 VAL 22 2HG2 VAL 22 12.791 -8.274 -0.859 173 H ALA 23 H ALA 23 13.923 -6.106 -4.728 174 HA ALA 23 HA ALA 23 16.558 -5.571 -5.544 175 HB1 ALA 23 1HB ALA 23 14.897 -6.811 -6.852 176 HB2 ALA 23 2HB ALA 23 15.516 -5.470 -7.818 177 HB3 ALA 23 3HB ALA 23 13.931 -5.349 -7.052 178 H LEU 24 H LEU 24 13.825 -3.361 -5.186 179 HA LEU 24 HA LEU 24 14.924 -1.130 -6.600 180 HB2 LEU 24 2HB LEU 24 12.545 -1.733 -5.593 181 HB3 LEU 24 1HB LEU 24 13.153 -0.838 -4.199 182 HG LEU 24 HG LEU 24 13.722 1.060 -5.743 183 HD11 LEU 24 1HD1 LEU 24 13.399 0.931 -7.992 184 HD12 LEU 24 2HD1 LEU 24 11.885 0.044 -7.819 185 HD13 LEU 24 3HD1 LEU 24 13.424 -0.812 -7.725 186 HD21 LEU 24 3HD2 LEU 24 11.039 0.084 -5.030 187 HD22 LEU 24 1HD2 LEU 24 11.036 1.238 -6.364 188 HD23 LEU 24 2HD2 LEU 24 11.746 1.685 -4.813 189 H VAL 25 H VAL 25 14.852 -1.851 -3.085 190 HA VAL 25 HA VAL 25 17.131 0.069 -2.766 191 HB VAL 25 HB VAL 25 15.970 0.976 -1.036 192 HG11 VAL 25 1HG1 VAL 25 13.782 -0.966 -1.828 193 HG12 VAL 25 2HG1 VAL 25 14.055 0.625 -2.538 194 HG13 VAL 25 3HG1 VAL 25 13.561 0.486 -0.851 195 HG21 VAL 25 3HG2 VAL 25 15.301 -1.811 -0.055 196 HG22 VAL 25 1HG2 VAL 25 15.139 -0.313 0.860 197 HG23 VAL 25 2HG2 VAL 25 16.738 -0.893 0.393 198 H GLY 26 H GLY 26 15.766 -2.962 -1.448 199 HA2 GLY 26 2HA GLY 26 17.754 -4.744 -1.599 200 HA3 GLY 26 1HA GLY 26 18.418 -3.686 -0.351 201 H ALA 27 H ALA 27 17.806 -6.367 0.227 202 HA ALA 27 HA ALA 27 15.178 -6.644 1.386 203 HB1 ALA 27 1HB ALA 27 17.343 -8.252 0.708 204 HB2 ALA 27 2HB ALA 27 15.878 -8.796 1.524 205 HB3 ALA 27 3HB ALA 27 17.296 -8.341 2.468 206 H ALA 28 H ALA 28 18.409 -6.100 2.805 207 HA ALA 28 HA ALA 28 17.654 -5.999 5.523 208 HB1 ALA 28 1HB ALA 28 19.715 -4.257 4.138 209 HB2 ALA 28 2HB ALA 28 19.966 -5.972 4.463 210 HB3 ALA 28 3HB ALA 28 19.759 -4.841 5.801 211 H ALA 29 H ALA 29 17.789 -3.356 3.124 212 HA ALA 29 HA ALA 29 16.893 -1.268 4.853 213 HB1 ALA 29 1HB ALA 29 17.764 -0.539 2.827 214 HB2 ALA 29 2HB ALA 29 16.043 -0.457 2.456 215 HB3 ALA 29 3HB ALA 29 16.996 -1.842 1.922 216 H VAL 30 H VAL 30 15.057 -3.281 2.536 217 HA VAL 30 HA VAL 30 12.463 -2.344 3.030 218 HB VAL 30 HB VAL 30 13.634 -5.064 2.421 219 HG11 VAL 30 1HG1 VAL 30 10.692 -4.336 2.349 220 HG12 VAL 30 2HG1 VAL 30 11.434 -5.296 3.628 221 HG13 VAL 30 3HG1 VAL 30 11.407 -5.903 1.972 222 HG21 VAL 30 3HG2 VAL 30 13.049 -2.714 0.929 223 HG22 VAL 30 1HG2 VAL 30 11.884 -3.942 0.435 224 HG23 VAL 30 2HG2 VAL 30 13.612 -4.269 0.314 225 H THR 31 H THR 31 14.483 -4.465 5.019 226 HA THR 31 HA THR 31 12.389 -5.318 6.827 227 HB THR 31 HB THR 31 15.378 -5.055 7.280 228 HG1 THR 31 1HG THR 31 15.079 -7.402 6.573 229 HG21 THR 31 3HG2 THR 31 14.725 -5.841 9.306 230 HG22 THR 31 1HG2 THR 31 14.517 -7.375 8.462 231 HG23 THR 31 2HG2 THR 31 13.133 -6.311 8.712 232 H ALA 32 H ALA 32 14.792 -2.679 6.903 233 HA ALA 32 HA ALA 32 14.077 -1.705 9.525 234 HB1 ALA 32 1HB ALA 32 15.904 -1.159 7.390 235 HB2 ALA 32 2HB ALA 32 15.972 -0.572 9.052 236 HB3 ALA 32 3HB ALA 32 15.108 0.354 7.824 237 H ALA 33 H ALA 33 12.676 -1.327 6.359 238 HA ALA 33 HA ALA 33 11.221 1.138 6.954 239 HB1 ALA 33 1HB ALA 33 11.274 -0.953 4.784 240 HB2 ALA 33 2HB ALA 33 11.725 0.748 4.684 241 HB3 ALA 33 3HB ALA 33 10.025 0.291 4.788 242 H ASN 34 H ASN 34 10.902 -1.854 8.248 243 HA ASN 34 HA ASN 34 9.135 -2.958 9.350 244 HB2 ASN 34 2HB ASN 34 8.902 -0.661 10.251 245 HB3 ASN 34 1HB ASN 34 7.848 -0.246 8.903 246 HD21 ASN 34 1HD2 ASN 34 7.390 -3.504 9.910 247 HD22 ASN 34 2HD2 ASN 34 6.004 -3.252 10.855 248 H ILE 35 H ILE 35 9.129 -4.084 7.095 249 HA ILE 35 HA ILE 35 6.449 -3.701 5.798 250 HB ILE 35 HB ILE 35 9.176 -4.507 4.757 251 HG12 ILE 35 2HG1 ILE 35 7.276 -2.494 3.572 252 HG13 ILE 35 1HG1 ILE 35 8.264 -2.057 4.967 253 HG21 ILE 35 1HG2 ILE 35 7.309 -6.020 3.909 254 HG22 ILE 35 2HG2 ILE 35 8.183 -5.131 2.662 255 HG23 ILE 35 3HG2 ILE 35 6.589 -4.584 3.183 256 HD11 ILE 35 3HD1 ILE 35 9.174 -2.890 2.213 257 HD12 ILE 35 1HD1 ILE 35 10.254 -2.989 3.603 258 HD13 ILE 35 2HD1 ILE 35 9.591 -1.431 3.113 259 H ARG 36 H ARG 36 5.127 -5.515 5.820 260 HA ARG 36 HA ARG 36 6.302 -8.025 6.953 261 HB2 ARG 36 2HB ARG 36 3.411 -7.128 6.780 262 HB3 ARG 36 1HB ARG 36 4.057 -8.439 7.766 263 HG2 ARG 36 2HG ARG 36 5.428 -5.903 8.254 264 HG3 ARG 36 1HG ARG 36 3.700 -5.811 8.597 265 HD2 ARG 36 2HD ARG 36 3.862 -7.220 10.393 266 HD3 ARG 36 1HD ARG 36 5.046 -8.266 9.583 267 HE ARG 36 HE ARG 36 6.544 -6.053 9.947 268 HH11 ARG 36 1HH1 ARG 36 4.091 -5.859 12.049 269 HH12 ARG 36 2HH1 ARG 36 4.993 -6.173 13.494 270 HH21 ARG 36 1HH2 ARG 36 7.830 -7.236 11.807 271 HH22 ARG 36 2HH2 ARG 36 7.111 -6.952 13.357 272 H ARG 37 H ARG 37 5.927 -9.998 5.891 273 HA ARG 37 HA ARG 37 5.113 -9.792 3.041 274 HB2 ARG 37 2HB ARG 37 6.851 -11.455 4.743 275 HB3 ARG 37 1HB ARG 37 5.937 -12.380 3.552 276 HG2 ARG 37 2HG ARG 37 6.938 -11.312 1.747 277 HG3 ARG 37 1HG ARG 37 7.309 -9.862 2.680 278 HD2 ARG 37 2HD ARG 37 9.349 -11.244 2.169 279 HD3 ARG 37 1HD ARG 37 9.063 -11.071 3.912 280 HE ARG 37 HE ARG 37 7.644 -13.323 3.386 281 HH11 ARG 37 1HH1 ARG 37 9.223 -13.743 0.885 282 HH12 ARG 37 2HH1 ARG 37 10.550 -14.704 1.444 283 HH21 ARG 37 1HH2 ARG 37 10.034 -13.947 4.788 284 HH22 ARG 37 2HH2 ARG 37 11.009 -14.821 3.654 285 H ALA 38 H ALA 38 3.308 -10.908 2.240 286 HA ALA 38 HA ALA 38 1.592 -12.270 4.290 287 HB1 ALA 38 1HB ALA 38 1.169 -10.170 2.279 288 HB2 ALA 38 2HB ALA 38 0.215 -10.556 3.712 289 HB3 ALA 38 3HB ALA 38 -0.044 -11.449 2.212 290 H SER 39 H SER 39 0.336 -14.098 3.492 291 HA SER 39 HA SER 39 1.618 -16.083 2.079 292 HB2 SER 39 2HB SER 39 -0.729 -15.875 3.279 293 HB3 SER 39 1HB SER 39 -1.318 -15.632 1.636 294 HG SER 39 HG SER 39 0.207 -17.820 2.620 295 H SER 40 H SER 40 0.025 -13.261 0.728 296 HA SER 40 HA SER 40 1.252 -13.743 -1.887 297 HB2 SER 40 2HB SER 40 -1.699 -14.130 -1.357 298 HB3 SER 40 1HB SER 40 -1.089 -13.765 -2.969 299 HG SER 40 HG SER 40 -0.831 -15.861 -3.027 300 H ASP 41 H ASP 41 -0.135 -12.043 -3.471 301 HA ASP 41 HA ASP 41 0.514 -9.430 -2.462 302 HB2 ASP 41 2HB ASP 41 -1.017 -10.553 -4.811 303 HB3 ASP 41 1HB ASP 41 -0.872 -8.811 -4.573 304 H ASN 42 H ASN 42 -2.139 -11.447 -1.826 305 HA ASN 42 HA ASN 42 -4.043 -9.209 -1.387 306 HB2 ASN 42 2HB ASN 42 -4.795 -11.250 -2.518 307 HB3 ASN 42 1HB ASN 42 -4.250 -12.229 -1.155 308 HD21 ASN 42 1HD2 ASN 42 -7.014 -12.155 -2.050 309 HD22 ASN 42 2HD2 ASN 42 -7.937 -11.473 -0.799 310 H HIS 43 H HIS 43 -3.499 -8.165 0.556 311 HA HIS 43 HA HIS 43 -3.535 -9.857 3.008 312 HB2 HIS 43 2HB HIS 43 -1.572 -8.324 3.767 313 HB3 HIS 43 1HB HIS 43 -1.218 -9.644 2.656 314 HD1 HIS 43 1HD HIS 43 -1.511 -5.891 2.803 315 HD2 HIS 43 2HD HIS 43 -0.485 -8.842 0.044 316 HE1 HIS 43 1HE HIS 43 -0.372 -4.698 0.866 317 H SER 44 H SER 44 -3.321 -8.121 4.961 318 HA SER 44 HA SER 44 -5.542 -6.203 4.510 319 HB2 SER 44 2HB SER 44 -6.068 -6.793 6.635 320 HB3 SER 44 1HB SER 44 -4.796 -8.005 6.517 321 HG SER 44 HG SER 44 -4.733 -5.423 7.635 322 H CYS 45 H CYS 45 -5.266 -3.957 4.919 323 HA CYS 45 HA CYS 45 -2.478 -3.062 5.535 324 HB2 CYS 45 2HB CYS 45 -2.856 -1.341 3.708 325 HB3 CYS 45 1HB CYS 45 -2.697 -2.996 3.150 326 H ALA 46 H ALA 46 -2.652 -0.467 5.682 327 HA ALA 46 HA ALA 46 -3.386 1.257 7.142 328 HB1 ALA 46 1HB ALA 46 -5.346 0.462 5.253 329 HB2 ALA 46 2HB ALA 46 -5.224 2.023 6.063 330 HB3 ALA 46 3HB ALA 46 -6.208 0.739 6.766 331 H GLY 47 H GLY 47 -2.926 -1.331 8.371 332 HA2 GLY 47 2HA GLY 47 -3.219 -2.185 10.556 333 HA3 GLY 47 1HA GLY 47 -4.467 -0.966 10.826 334 H ASN 48 H ASN 48 -5.767 -2.744 11.770 335 HA ASN 48 HA ASN 48 -6.665 -4.885 9.990 336 HB2 ASN 48 2HB ASN 48 -6.586 -4.255 12.786 337 HB3 ASN 48 1HB ASN 48 -8.255 -4.618 12.344 338 HD21 ASN 48 1HD2 ASN 48 -4.955 -5.939 11.672 339 HD22 ASN 48 2HD2 ASN 48 -5.431 -7.565 11.774 340 H ARG 49 H ARG 49 -7.239 -2.324 8.889 341 HA ARG 49 HA ARG 49 -10.193 -2.098 9.279 342 HB2 ARG 49 2HB ARG 49 -7.971 -0.145 8.711 343 HB3 ARG 49 1HB ARG 49 -9.653 0.274 8.396 344 HG2 ARG 49 2HG ARG 49 -9.707 -0.858 10.942 345 HG3 ARG 49 1HG ARG 49 -8.238 0.117 10.939 346 HD2 ARG 49 2HD ARG 49 -9.730 1.979 9.889 347 HD3 ARG 49 1HD ARG 49 -11.087 1.015 10.505 348 HE ARG 49 HE ARG 49 -9.551 1.081 12.709 349 HH11 ARG 49 1HH1 ARG 49 -8.928 3.543 10.553 350 HH12 ARG 49 2HH1 ARG 49 -9.363 4.840 11.616 351 HH21 ARG 49 1HH2 ARG 49 -10.698 2.752 14.043 352 HH22 ARG 49 2HH2 ARG 49 -10.365 4.392 13.593 353 H GLY 50 H GLY 50 -7.562 -2.148 6.870 354 HA2 GLY 50 2HA GLY 50 -9.685 -2.380 4.766 355 HA3 GLY 50 1HA GLY 50 -8.101 -1.671 4.465 356 H TRP 51 H TRP 51 -9.048 -3.757 2.877 357 HA TRP 51 HA TRP 51 -7.140 -5.951 3.590 358 HB2 TRP 51 2HB TRP 51 -10.075 -5.971 3.234 359 HB3 TRP 51 1HB TRP 51 -9.226 -7.233 2.344 360 HD1 TRP 51 HD TRP 51 -10.848 -6.855 5.474 361 HE1 TRP 51 1HE TRP 51 -9.874 -8.399 7.295 362 HE3 TRP 51 3HE TRP 51 -6.429 -8.139 3.265 363 HZ2 TRP 51 2HZ TRP 51 -7.528 -9.972 7.752 364 HZ3 TRP 51 3HZ TRP 51 -4.845 -9.657 4.413 365 HH2 TRP 51 HH TRP 51 -5.387 -10.577 6.650 366 H CYS 52 H CYS 52 -6.843 -7.387 1.489 367 HA CYS 52 HA CYS 52 -6.769 -5.529 -0.866 368 HB2 CYS 52 2HB CYS 52 -4.648 -6.407 0.359 369 HB3 CYS 52 1HB CYS 52 -5.017 -7.937 -0.437 370 H ARG 53 H ARG 53 -8.222 -6.097 -2.401 371 HA ARG 53 HA ARG 53 -8.634 -9.008 -3.001 372 HB2 ARG 53 2HB ARG 53 -10.780 -6.864 -3.044 373 HB3 ARG 53 1HB ARG 53 -11.007 -8.603 -3.147 374 HG2 ARG 53 2HG ARG 53 -11.232 -8.681 -0.918 375 HG3 ARG 53 1HG ARG 53 -9.573 -8.108 -0.751 376 HD2 ARG 53 2HD ARG 53 -10.428 -5.756 -1.037 377 HD3 ARG 53 1HD ARG 53 -12.076 -6.408 -0.957 378 HE ARG 53 HE ARG 53 -10.428 -5.989 1.316 379 HH11 ARG 53 1HH1 ARG 53 -10.298 -9.037 0.845 380 HH12 ARG 53 2HH1 ARG 53 -11.588 -9.569 1.872 381 HH21 ARG 53 1HH2 ARG 53 -12.975 -6.411 2.215 382 HH22 ARG 53 2HH2 ARG 53 -13.101 -8.083 2.648 383 H SER 54 H SER 54 -9.310 -9.332 -5.297 384 HA SER 54 HA SER 54 -7.855 -7.904 -7.219 385 HB2 SER 54 2HB SER 54 -8.759 -9.752 -8.208 386 HB3 SER 54 1HB SER 54 -10.129 -9.764 -7.101 387 HG SER 54 HG SER 54 -11.237 -8.500 -8.435 388 H LYS 55 H LYS 55 -11.198 -7.391 -6.152 389 HA LYS 55 HA LYS 55 -11.036 -4.567 -7.093 390 HB2 LYS 55 2HB LYS 55 -12.361 -5.276 -8.807 391 HB3 LYS 55 1HB LYS 55 -12.666 -6.825 -8.035 392 HG2 LYS 55 2HG LYS 55 -14.322 -5.682 -6.538 393 HG3 LYS 55 1HG LYS 55 -14.108 -4.214 -7.494 394 HD2 LYS 55 2HD LYS 55 -15.324 -5.025 -9.238 395 HD3 LYS 55 1HD LYS 55 -14.634 -6.641 -9.087 396 HE2 LYS 55 2HE LYS 55 -16.082 -6.939 -7.004 397 HE3 LYS 55 1HE LYS 55 -16.920 -5.451 -7.490 398 HZ1 LYS 55 3HZ LYS 55 -16.443 -7.632 -9.424 399 HZ2 LYS 55 1HZ LYS 55 -17.589 -6.383 -9.495 400 HZ3 LYS 55 2HZ LYS 55 -17.799 -7.664 -8.400 401 H CYS 56 H CYS 56 -13.154 -3.415 -6.104 402 HA CYS 56 HA CYS 56 -13.541 -4.482 -3.322 403 HB2 CYS 56 2HB CYS 56 -13.567 -1.568 -4.130 404 HB3 CYS 56 1HB CYS 56 -13.365 -2.245 -2.519 405 H PHE 57 H PHE 57 -15.599 -3.458 -2.309 406 HA PHE 57 HA PHE 57 -17.842 -3.922 -4.159 407 HB2 PHE 57 2HB PHE 57 -17.499 -3.400 -1.199 408 HB3 PHE 57 1HB PHE 57 -19.092 -3.531 -1.942 409 HD1 PHE 57 2HD PHE 57 -18.769 -5.604 -3.951 410 HD2 PHE 57 1HD PHE 57 -17.122 -5.373 0.010 411 HE1 PHE 57 2HE PHE 57 -18.604 -8.078 -3.876 412 HE2 PHE 57 1HE PHE 57 -16.957 -7.847 0.086 413 HZ PHE 57 HZ PHE 57 -17.698 -9.199 -1.857 414 H ARG 58 H ARG 58 -19.797 -2.285 -3.617 415 HA ARG 58 HA ARG 58 -18.984 0.299 -4.643 416 HB2 ARG 58 2HB ARG 58 -21.153 -1.168 -4.940 417 HB3 ARG 58 1HB ARG 58 -21.678 -0.333 -3.478 418 HG2 ARG 58 2HG ARG 58 -20.504 1.507 -5.409 419 HG3 ARG 58 1HG ARG 58 -21.882 0.637 -6.083 420 HD2 ARG 58 2HD ARG 58 -23.336 1.383 -4.322 421 HD3 ARG 58 1HD ARG 58 -21.969 2.013 -3.381 422 HE ARG 58 HE ARG 58 -21.673 3.758 -5.070 423 HH11 ARG 58 1HH1 ARG 58 -24.777 2.686 -4.549 424 HH12 ARG 58 2HH1 ARG 58 -25.447 3.317 -6.017 425 HH21 ARG 58 1HH2 ARG 58 -22.368 4.158 -7.372 426 HH22 ARG 58 2HH2 ARG 58 -24.084 4.150 -7.615 427 H HIS 59 H HIS 59 -20.294 -0.874 -1.550 428 HA HIS 59 HA HIS 59 -20.356 1.693 -0.250 429 HB2 HIS 59 2HB HIS 59 -20.209 -1.178 0.711 430 HB3 HIS 59 1HB HIS 59 -20.472 0.188 1.793 431 HD1 HIS 59 1HD HIS 59 -22.667 1.658 1.300 432 HD2 HIS 59 2HD HIS 59 -22.498 -2.024 -0.647 433 HE1 HIS 59 1HE HIS 59 -25.016 1.168 0.490 434 H GLU 60 H GLU 60 -17.720 -0.113 -1.316 435 HA GLU 60 HA GLU 60 -15.937 1.105 0.770 436 HB2 GLU 60 2HB GLU 60 -16.138 -1.587 -0.493 437 HB3 GLU 60 1HB GLU 60 -14.512 -0.980 -0.180 438 HG2 GLU 60 2HG GLU 60 -15.197 -0.516 2.184 439 HG3 GLU 60 1HG GLU 60 -16.748 -1.283 1.842 440 H TYR 61 H TYR 61 -13.577 1.208 -0.215 441 HA TYR 61 HA TYR 61 -13.671 1.936 -3.109 442 HB2 TYR 61 2HB TYR 61 -12.743 4.088 -2.675 443 HB3 TYR 61 1HB TYR 61 -14.030 3.899 -1.492 444 HD1 TYR 61 2HD TYR 61 -13.260 2.722 0.783 445 HD2 TYR 61 1HD TYR 61 -10.650 4.810 -1.917 446 HE1 TYR 61 2HE TYR 61 -11.639 3.064 2.623 447 HE2 TYR 61 1HE TYR 61 -9.033 5.157 -0.071 448 HH TYR 61 HH TYR 61 -9.687 4.992 3.010 449 H VAL 62 H VAL 62 -11.056 2.950 -3.209 450 HA VAL 62 HA VAL 62 -9.406 0.578 -2.383 451 HB VAL 62 HB VAL 62 -9.452 2.229 -4.930 452 HG11 VAL 62 1HG1 VAL 62 -7.552 0.008 -4.112 453 HG12 VAL 62 2HG1 VAL 62 -7.127 1.711 -4.288 454 HG13 VAL 62 3HG1 VAL 62 -7.611 0.772 -5.700 455 HG21 VAL 62 3HG2 VAL 62 -9.686 -0.760 -4.736 456 HG22 VAL 62 1HG2 VAL 62 -10.311 0.326 -5.976 457 HG23 VAL 62 2HG2 VAL 62 -11.096 0.244 -4.399 458 H ASP 63 H ASP 63 -8.266 1.524 -0.635 459 HA ASP 63 HA ASP 63 -7.475 4.213 -0.356 460 HB2 ASP 63 2HB ASP 63 -5.651 3.148 1.096 461 HB3 ASP 63 1HB ASP 63 -7.308 2.684 1.475 462 H THR 64 H THR 64 -6.782 4.946 -2.459 463 HA THR 64 HA THR 64 -4.900 3.886 -4.199 464 HB THR 64 HB THR 64 -4.258 6.513 -4.261 465 HG1 THR 64 1HG THR 64 -6.012 7.669 -3.446 466 HG21 THR 64 3HG2 THR 64 -5.460 6.263 -6.141 467 HG22 THR 64 1HG2 THR 64 -6.949 6.340 -5.200 468 HG23 THR 64 2HG2 THR 64 -6.168 4.786 -5.489 469 H TYR 65 H TYR 65 -4.293 5.189 -1.000 470 HA TYR 65 HA TYR 65 -1.437 5.575 -1.323 471 HB2 TYR 65 2HB TYR 65 -3.181 6.489 0.403 472 HB3 TYR 65 1HB TYR 65 -2.842 4.992 1.274 473 HD1 TYR 65 2HD TYR 65 -1.067 7.840 -0.404 474 HD2 TYR 65 1HD TYR 65 -1.017 4.904 2.731 475 HE1 TYR 65 2HE TYR 65 1.029 8.823 0.483 476 HE2 TYR 65 1HE TYR 65 1.081 5.886 3.617 477 HH TYR 65 HH TYR 65 2.122 8.692 3.181 478 H TYR 66 H TYR 66 -3.394 2.979 0.187 479 HA TYR 66 HA TYR 66 -0.996 1.339 0.644 480 HB2 TYR 66 2HB TYR 66 -3.944 1.198 1.196 481 HB3 TYR 66 1HB TYR 66 -2.963 -0.260 1.366 482 HD1 TYR 66 1HD TYR 66 -3.577 3.140 2.642 483 HD2 TYR 66 2HD TYR 66 -1.207 -0.416 3.052 484 HE1 TYR 66 1HE TYR 66 -2.737 3.952 4.828 485 HE2 TYR 66 2HE TYR 66 -0.367 0.391 5.238 486 HH TYR 66 HH TYR 66 -1.789 2.904 6.937 487 H SER 67 H SER 67 -3.037 1.869 -2.012 488 HA SER 67 HA SER 67 -3.499 -0.643 -3.175 489 HB2 SER 67 2HB SER 67 -3.787 0.611 -5.115 490 HB3 SER 67 1HB SER 67 -3.835 1.901 -3.917 491 HG SER 67 HG SER 67 -1.866 1.216 -5.761 492 H ALA 68 H ALA 68 -0.487 0.999 -2.563 493 HA ALA 68 HA ALA 68 1.170 -0.432 -4.445 494 HB1 ALA 68 1HB ALA 68 2.895 0.754 -3.386 495 HB2 ALA 68 2HB ALA 68 2.099 0.691 -1.815 496 HB3 ALA 68 3HB ALA 68 1.494 1.776 -3.067 497 H VAL 69 H VAL 69 1.183 -0.714 -0.849 498 HA VAL 69 HA VAL 69 2.638 -3.058 -0.607 499 HB VAL 69 HB VAL 69 1.695 -1.667 1.243 500 HG11 VAL 69 1HG1 VAL 69 -0.845 -2.977 0.337 501 HG12 VAL 69 2HG1 VAL 69 -0.544 -1.278 0.697 502 HG13 VAL 69 3HG1 VAL 69 -0.646 -2.453 2.009 503 HG21 VAL 69 3HG2 VAL 69 2.468 -3.524 2.288 504 HG22 VAL 69 1HG2 VAL 69 1.672 -4.602 1.146 505 HG23 VAL 69 2HG2 VAL 69 0.759 -3.910 2.483 506 H CYS 70 H CYS 70 -0.689 -2.711 -1.699 507 HA CYS 70 HA CYS 70 -1.469 -5.468 -1.576 508 HB2 CYS 70 2HB CYS 70 -2.333 -2.931 -2.777 509 HB3 CYS 70 1HB CYS 70 -2.789 -4.342 -3.733 510 H GLY 71 H GLY 71 -0.676 -3.649 -4.562 511 HA2 GLY 71 2HA GLY 71 1.080 -4.407 -6.112 512 HA3 GLY 71 1HA GLY 71 0.832 -6.047 -5.511 513 H ARG 72 H ARG 72 -0.149 -7.281 -7.034 514 HA ARG 72 HA ARG 72 -1.501 -6.327 -9.339 515 HB2 ARG 72 2HB ARG 72 -1.464 -8.910 -7.776 516 HB3 ARG 72 1HB ARG 72 -2.438 -8.753 -9.238 517 HG2 ARG 72 2HG ARG 72 -0.609 -8.670 -10.614 518 HG3 ARG 72 1HG ARG 72 0.373 -7.810 -9.427 519 HD2 ARG 72 2HD ARG 72 1.390 -9.785 -8.967 520 HD3 ARG 72 1HD ARG 72 -0.152 -10.350 -8.292 521 HE ARG 72 HE ARG 72 -0.513 -10.626 -11.017 522 HH11 ARG 72 1HH2 ARG 72 -0.077 -12.884 -8.953 523 HH12 ARG 72 2HH2 ARG 72 1.197 -13.770 -9.723 524 HH21 ARG 72 1HH1 ARG 72 1.982 -11.225 -11.945 525 HH22 ARG 72 2HH1 ARG 72 2.362 -12.831 -11.417 526 H TYR 73 H TYR 73 -2.700 -7.056 -6.092 527 HA TYR 73 HA TYR 73 -5.518 -6.617 -6.928 528 HB2 TYR 73 2HB TYR 73 -4.177 -7.325 -4.298 529 HB3 TYR 73 1HB TYR 73 -5.920 -7.253 -4.540 530 HD1 TYR 73 2HD TYR 73 -5.278 -8.330 -7.590 531 HD2 TYR 73 1HD TYR 73 -4.634 -9.718 -3.577 532 HE1 TYR 73 2HE TYR 73 -5.264 -10.671 -8.400 533 HE2 TYR 73 1HE TYR 73 -4.621 -12.058 -4.385 534 HH TYR 73 HH TYR 73 -4.199 -12.918 -7.511 535 H PHE 74 H PHE 74 -6.789 -5.209 -5.273 536 HA PHE 74 HA PHE 74 -5.245 -2.688 -4.744 537 HB2 PHE 74 2HB PHE 74 -8.207 -3.106 -5.277 538 HB3 PHE 74 1HB PHE 74 -7.382 -1.554 -5.139 539 HD1 PHE 74 1HD PHE 74 -4.935 -1.910 -6.658 540 HD2 PHE 74 2HD PHE 74 -8.895 -3.347 -7.485 541 HE1 PHE 74 1HE PHE 74 -4.408 -1.976 -9.079 542 HE2 PHE 74 2HE PHE 74 -8.372 -3.414 -9.904 543 HZ PHE 74 HZ PHE 74 -6.125 -2.729 -10.706 544 H CYS 75 H CYS 75 -5.235 -2.025 -2.592 545 HA CYS 75 HA CYS 75 -6.533 -3.736 -0.604 546 HB2 CYS 75 2HB CYS 75 -4.321 -2.037 -0.743 547 HB3 CYS 75 1HB CYS 75 -5.440 -1.192 0.329 548 H CYS 76 H CYS 76 -8.769 -3.492 -0.640 549 HA CYS 76 HA CYS 76 -10.016 -0.886 -1.038 550 HB2 CYS 76 2HB CYS 76 -11.283 -3.428 -0.006 551 HB3 CYS 76 1HB CYS 76 -12.037 -2.156 -0.962 552 H ARG 77 H ARG 77 -11.494 0.057 0.598 553 HA ARG 77 HA ARG 77 -11.053 -0.710 3.421 554 HB2 ARG 77 2HB ARG 77 -9.738 1.522 1.988 555 HB3 ARG 77 1HB ARG 77 -10.448 1.956 3.542 556 HG2 ARG 77 2HG ARG 77 -9.246 -0.038 4.537 557 HG3 ARG 77 1HG ARG 77 -8.390 -0.197 3.002 558 HD2 ARG 77 2HD ARG 77 -7.007 1.131 4.513 559 HD3 ARG 77 1HD ARG 77 -7.654 2.219 3.269 560 HE ARG 77 HE ARG 77 -9.515 2.076 5.438 561 HH11 ARG 77 1HH1 ARG 77 -7.628 4.254 3.911 562 HH12 ARG 77 2HH1 ARG 77 -7.154 5.158 5.310 563 HH21 ARG 77 1HH2 ARG 77 -8.381 2.824 7.561 564 HH22 ARG 77 2HH2 ARG 77 -7.580 4.350 7.377 565 H SER 78 H SER 78 -12.068 1.448 4.696 566 HA SER 78 HA SER 78 -14.802 1.729 3.506 567 HB2 SER 78 2HB SER 78 -14.119 0.637 5.840 568 HB3 SER 78 1HB SER 78 -14.136 2.318 6.365 569 HG SER 78 HG SER 78 -16.265 1.394 4.809 570 H ARG 79 H ARG 79 -15.065 3.711 2.556 571 HA ARG 79 HA ARG 79 -13.398 6.004 3.141 572 HB2 ARG 79 2HB ARG 79 -14.534 5.436 0.973 573 HB3 ARG 79 1HB ARG 79 -16.080 5.816 1.733 574 HG2 ARG 79 2HG ARG 79 -15.719 8.060 1.634 575 HG3 ARG 79 1HG ARG 79 -14.012 7.899 2.052 576 HD2 ARG 79 2HD ARG 79 -13.579 8.353 -0.135 577 HD3 ARG 79 1HD ARG 79 -14.208 6.731 -0.489 578 HE ARG 79 HE ARG 79 -16.457 8.398 -0.165 579 HH11 ARG 79 1HH1 ARG 79 -13.605 8.936 -1.933 580 HH12 ARG 79 2HH1 ARG 79 -14.410 9.266 -3.431 581 HH21 ARG 79 1HH2 ARG 79 -17.560 8.468 -2.219 582 HH22 ARG 79 2HH2 ARG 79 -16.650 9.000 -3.593 Start of MODEL 18 1 H1 ASN 1 1HT ASN 1 17.688 10.181 -10.053 2 H2 ASN 1 2HT ASN 1 17.456 11.124 -8.659 3 H3 ASN 1 3HT ASN 1 16.117 10.573 -9.549 4 HA ASN 1 HA ASN 1 17.079 8.223 -9.023 5 HB2 ASN 1 2HB ASN 1 18.882 10.023 -7.811 6 HB3 ASN 1 1HB ASN 1 17.989 9.283 -6.482 7 HD21 ASN 1 1HD2 ASN 1 18.706 7.241 -5.842 8 HD22 ASN 1 2HD2 ASN 1 19.694 6.224 -6.775 9 HA PRO 2 HA PRO 2 13.119 9.168 -7.032 10 HB2 PRO 2 2HB PRO 2 11.974 6.766 -7.672 11 HB3 PRO 2 1HB PRO 2 12.050 8.133 -8.801 12 HG2 PRO 2 2HG PRO 2 13.751 5.696 -8.663 13 HG3 PRO 2 1HG PRO 2 13.138 6.567 -10.077 14 HD2 PRO 2 2HD PRO 2 15.697 6.796 -9.149 15 HD3 PRO 2 1HD PRO 2 14.858 8.075 -10.054 16 H LEU 3 H LEU 3 12.017 8.100 -5.180 17 HA LEU 3 HA LEU 3 13.850 6.243 -3.697 18 HB2 LEU 3 2HB LEU 3 12.532 8.779 -3.078 19 HB3 LEU 3 1HB LEU 3 12.199 7.542 -1.865 20 HG LEU 3 HG LEU 3 15.006 7.969 -2.861 21 HD11 LEU 3 1HD1 LEU 3 14.138 9.318 -0.351 22 HD12 LEU 3 2HD1 LEU 3 13.668 10.085 -1.869 23 HD13 LEU 3 3HD1 LEU 3 15.372 9.798 -1.517 24 HD21 LEU 3 3HD2 LEU 3 15.597 6.941 -0.779 25 HD22 LEU 3 1HD2 LEU 3 14.267 5.985 -1.432 26 HD23 LEU 3 2HD2 LEU 3 13.967 7.145 -0.138 27 H ILE 4 H ILE 4 12.224 5.419 -1.687 28 HA ILE 4 HA ILE 4 10.249 3.742 -3.107 29 HB ILE 4 HB ILE 4 11.973 3.627 -0.775 30 HG12 ILE 4 2HG1 ILE 4 10.328 1.603 -2.316 31 HG13 ILE 4 1HG1 ILE 4 12.030 1.995 -2.559 32 HG21 ILE 4 1HG2 ILE 4 9.047 2.977 -0.353 33 HG22 ILE 4 2HG2 ILE 4 10.095 3.966 0.660 34 HG23 ILE 4 3HG2 ILE 4 10.323 2.220 0.599 35 HD11 ILE 4 3HD1 ILE 4 10.793 0.222 -0.583 36 HD12 ILE 4 1HD1 ILE 4 11.922 1.373 0.135 37 HD13 ILE 4 2HD1 ILE 4 12.464 0.286 -1.144 38 HA PRO 5 HA PRO 5 6.739 5.972 -1.698 39 HB2 PRO 5 2HB PRO 5 4.918 3.947 -1.467 40 HB3 PRO 5 1HB PRO 5 5.477 4.567 -3.031 41 HG2 PRO 5 2HG PRO 5 6.258 2.095 -1.587 42 HG3 PRO 5 1HG PRO 5 6.085 2.382 -3.324 43 HD2 PRO 5 2HD PRO 5 8.491 2.292 -1.987 44 HD3 PRO 5 1HD PRO 5 8.227 3.115 -3.540 45 H ALA 6 H ALA 6 5.145 6.030 0.171 46 HA ALA 6 HA ALA 6 6.504 5.284 2.662 47 HB1 ALA 6 1HB ALA 6 5.612 7.515 2.433 48 HB2 ALA 6 2HB ALA 6 4.604 6.671 3.608 49 HB3 ALA 6 3HB ALA 6 4.036 6.887 1.953 50 H ILE 7 H ILE 7 3.735 4.282 0.767 51 HA ILE 7 HA ILE 7 2.127 2.982 2.658 52 HB ILE 7 HB ILE 7 1.315 3.077 0.462 53 HG12 ILE 7 2HG1 ILE 7 0.956 0.798 -0.256 54 HG13 ILE 7 1HG1 ILE 7 2.402 0.251 0.591 55 HG21 ILE 7 1HG2 ILE 7 3.127 1.593 -1.142 56 HG22 ILE 7 2HG2 ILE 7 4.089 2.750 -0.227 57 HG23 ILE 7 3HG2 ILE 7 2.763 3.315 -1.238 58 HD11 ILE 7 3HD1 ILE 7 0.256 1.651 2.145 59 HD12 ILE 7 1HD1 ILE 7 1.411 0.433 2.685 60 HD13 ILE 7 2HD1 ILE 7 0.028 -0.039 1.699 61 H TYR 8 H TYR 8 4.874 1.528 0.884 62 HA TYR 8 HA TYR 8 4.843 -1.036 2.009 63 HB2 TYR 8 2HB TYR 8 7.139 0.783 1.222 64 HB3 TYR 8 1HB TYR 8 7.303 -0.952 1.487 65 HD1 TYR 8 1HD TYR 8 4.099 -0.756 0.317 66 HD2 TYR 8 2HD TYR 8 8.114 -0.161 -1.093 67 HE1 TYR 8 1HE TYR 8 3.348 -1.182 -2.001 68 HE2 TYR 8 2HE TYR 8 7.355 -0.589 -3.413 69 HH TYR 8 HH TYR 8 4.097 -0.622 -4.309 70 H ILE 9 H ILE 9 5.931 1.988 3.456 71 HA ILE 9 HA ILE 9 7.377 0.808 5.659 72 HB ILE 9 HB ILE 9 5.982 3.476 5.271 73 HG12 ILE 9 2HG1 ILE 9 8.837 2.533 4.873 74 HG13 ILE 9 1HG1 ILE 9 7.734 3.133 3.636 75 HG21 ILE 9 1HG2 ILE 9 6.577 2.632 7.687 76 HG22 ILE 9 2HG2 ILE 9 7.023 4.270 7.207 77 HG23 ILE 9 3HG2 ILE 9 8.234 2.987 7.200 78 HD11 ILE 9 3HD1 ILE 9 9.282 4.914 4.250 79 HD12 ILE 9 1HD1 ILE 9 8.873 4.721 5.954 80 HD13 ILE 9 2HD1 ILE 9 7.666 5.331 4.822 81 H GLY 10 H GLY 10 6.564 -0.098 7.510 82 HA2 GLY 10 2HA GLY 10 4.972 -0.897 9.041 83 HA3 GLY 10 1HA GLY 10 4.192 0.677 8.850 84 H ALA 11 H ALA 11 4.752 -1.570 6.204 85 HA ALA 11 HA ALA 11 1.767 -1.916 5.991 86 HB1 ALA 11 1HB ALA 11 2.918 -2.313 3.477 87 HB2 ALA 11 2HB ALA 11 3.863 -1.001 4.181 88 HB3 ALA 11 3HB ALA 11 2.114 -0.844 4.029 89 H THR 12 H THR 12 1.769 -3.828 3.953 90 HA THR 12 HA THR 12 3.456 -6.107 4.852 91 HB THR 12 HB THR 12 0.460 -5.845 5.168 92 HG1 THR 12 1HG THR 12 1.040 -6.674 7.243 93 HG21 THR 12 3HG2 THR 12 0.466 -8.300 5.685 94 HG22 THR 12 1HG2 THR 12 2.114 -8.380 5.062 95 HG23 THR 12 2HG2 THR 12 0.787 -7.936 3.990 96 H VAL 13 H VAL 13 4.259 -6.224 2.670 97 HA VAL 13 HA VAL 13 2.284 -6.447 0.464 98 HB VAL 13 HB VAL 13 4.199 -6.144 -0.931 99 HG11 VAL 13 1HG1 VAL 13 4.685 -4.689 1.687 100 HG12 VAL 13 2HG1 VAL 13 3.679 -4.130 0.352 101 HG13 VAL 13 3HG1 VAL 13 5.424 -4.257 0.146 102 HG21 VAL 13 3HG2 VAL 13 6.528 -6.365 0.022 103 HG22 VAL 13 1HG2 VAL 13 5.636 -7.884 -0.056 104 HG23 VAL 13 2HG2 VAL 13 5.805 -7.039 1.482 105 H GLY 14 H GLY 14 2.892 -8.273 -1.190 106 HA2 GLY 14 2HA GLY 14 2.862 -10.819 0.309 107 HA3 GLY 14 1HA GLY 14 2.498 -10.624 -1.408 108 HA PRO 15 HA PRO 15 6.770 -12.305 -1.073 109 HB2 PRO 15 2HB PRO 15 6.415 -14.269 -2.945 110 HB3 PRO 15 1HB PRO 15 6.024 -14.490 -1.229 111 HG2 PRO 15 2HG PRO 15 4.219 -13.935 -3.524 112 HG3 PRO 15 1HG PRO 15 3.962 -14.964 -2.107 113 HD2 PRO 15 2HD PRO 15 2.900 -12.455 -2.391 114 HD3 PRO 15 1HD PRO 15 3.221 -13.227 -0.823 115 H SER 16 H SER 16 4.812 -12.061 -4.070 116 HA SER 16 HA SER 16 6.952 -11.545 -5.872 117 HB2 SER 16 2HB SER 16 5.212 -11.302 -7.347 118 HB3 SER 16 1HB SER 16 4.261 -11.917 -5.997 119 HG SER 16 HG SER 16 3.260 -10.076 -6.148 120 H VAL 17 H VAL 17 4.790 -9.216 -4.203 121 HA VAL 17 HA VAL 17 6.066 -6.844 -5.143 122 HB VAL 17 HB VAL 17 4.587 -7.457 -2.562 123 HG11 VAL 17 1HG1 VAL 17 5.001 -4.807 -3.980 124 HG12 VAL 17 2HG1 VAL 17 5.880 -5.315 -2.537 125 HG13 VAL 17 3HG1 VAL 17 4.136 -5.064 -2.465 126 HG21 VAL 17 3HG2 VAL 17 3.609 -6.373 -5.224 127 HG22 VAL 17 1HG2 VAL 17 2.617 -6.643 -3.792 128 HG23 VAL 17 2HG2 VAL 17 3.340 -8.013 -4.635 129 H TRP 18 H TRP 18 6.479 -8.576 -2.030 130 HA TRP 18 HA TRP 18 8.450 -7.055 -0.810 131 HB2 TRP 18 2HB TRP 18 7.454 -9.089 0.124 132 HB3 TRP 18 1HB TRP 18 8.253 -10.071 -1.098 133 HD1 TRP 18 HD TRP 18 10.934 -10.270 -0.960 134 HE1 TRP 18 1HE TRP 18 12.537 -10.057 1.048 135 HE3 TRP 18 3HE TRP 18 7.865 -7.916 2.373 136 HZ2 TRP 18 2HZ TRP 18 12.520 -9.023 3.715 137 HZ3 TRP 18 3HZ TRP 18 8.682 -7.330 4.637 138 HH2 TRP 18 HH TRP 18 11.004 -7.879 5.313 139 H ALA 19 H ALA 19 9.271 -9.899 -2.813 140 HA ALA 19 HA ALA 19 11.985 -9.546 -3.152 141 HB1 ALA 19 1HB ALA 19 9.819 -10.380 -5.091 142 HB2 ALA 19 2HB ALA 19 10.839 -11.422 -4.099 143 HB3 ALA 19 3HB ALA 19 11.534 -10.550 -5.466 144 H TYR 20 H TYR 20 9.426 -7.850 -4.959 145 HA TYR 20 HA TYR 20 11.108 -6.429 -6.776 146 HB2 TYR 20 2HB TYR 20 8.620 -6.693 -6.864 147 HB3 TYR 20 1HB TYR 20 8.486 -5.586 -5.498 148 HD1 TYR 20 2HD TYR 20 10.900 -5.395 -8.326 149 HD2 TYR 20 1HD TYR 20 7.406 -3.709 -6.483 150 HE1 TYR 20 2HE TYR 20 11.015 -3.463 -9.875 151 HE2 TYR 20 1HE TYR 20 7.521 -1.777 -8.032 152 HH TYR 20 HH TYR 20 9.364 -1.760 -10.814 153 H LEU 21 H LEU 21 9.491 -5.028 -3.901 154 HA LEU 21 HA LEU 21 10.806 -2.617 -3.680 155 HB2 LEU 21 2HB LEU 21 9.025 -3.832 -2.217 156 HB3 LEU 21 1HB LEU 21 10.407 -4.418 -1.294 157 HG LEU 21 HG LEU 21 9.689 -1.519 -1.816 158 HD11 LEU 21 1HD1 LEU 21 9.191 -1.400 0.510 159 HD12 LEU 21 2HD1 LEU 21 9.932 -2.970 0.826 160 HD13 LEU 21 3HD1 LEU 21 8.408 -2.875 -0.057 161 HD21 LEU 21 3HD2 LEU 21 11.649 -1.341 -0.027 162 HD22 LEU 21 1HD2 LEU 21 12.006 -1.417 -1.753 163 HD23 LEU 21 2HD2 LEU 21 12.146 -2.866 -0.757 164 H VAL 22 H VAL 22 12.076 -5.806 -2.747 165 HA VAL 22 HA VAL 22 14.447 -4.949 -1.423 166 HB VAL 22 HB VAL 22 13.751 -7.387 -3.082 167 HG11 VAL 22 1HG1 VAL 22 15.749 -8.067 -1.250 168 HG12 VAL 22 2HG1 VAL 22 16.291 -6.537 -1.939 169 HG13 VAL 22 3HG1 VAL 22 15.946 -7.906 -2.995 170 HG21 VAL 22 3HG2 VAL 22 13.655 -6.675 -0.150 171 HG22 VAL 22 1HG2 VAL 22 13.712 -8.356 -0.679 172 HG23 VAL 22 2HG2 VAL 22 12.367 -7.325 -1.164 173 H ALA 23 H ALA 23 13.975 -5.907 -4.830 174 HA ALA 23 HA ALA 23 16.556 -5.426 -5.817 175 HB1 ALA 23 1HB ALA 23 15.506 -5.670 -7.853 176 HB2 ALA 23 2HB ALA 23 14.229 -4.525 -7.444 177 HB3 ALA 23 3HB ALA 23 14.163 -6.176 -6.828 178 H LEU 24 H LEU 24 13.926 -3.112 -5.206 179 HA LEU 24 HA LEU 24 15.145 -0.814 -6.382 180 HB2 LEU 24 2HB LEU 24 12.752 -1.423 -5.353 181 HB3 LEU 24 1HB LEU 24 13.436 -0.626 -3.937 182 HG LEU 24 HG LEU 24 13.918 1.377 -5.247 183 HD11 LEU 24 1HD1 LEU 24 13.633 -0.469 -7.431 184 HD12 LEU 24 2HD1 LEU 24 14.218 1.194 -7.469 185 HD13 LEU 24 3HD1 LEU 24 12.497 0.862 -7.655 186 HD21 LEU 24 3HD2 LEU 24 11.454 1.786 -6.083 187 HD22 LEU 24 1HD2 LEU 24 11.760 1.555 -4.362 188 HD23 LEU 24 2HD2 LEU 24 11.143 0.219 -5.335 189 H VAL 25 H VAL 25 15.342 -2.216 -3.120 190 HA VAL 25 HA VAL 25 17.670 -0.412 -2.575 191 HB VAL 25 HB VAL 25 15.991 0.575 -1.283 192 HG11 VAL 25 1HG1 VAL 25 14.437 -1.148 0.078 193 HG12 VAL 25 2HG1 VAL 25 14.822 -2.161 -1.314 194 HG13 VAL 25 3HG1 VAL 25 14.042 -0.599 -1.550 195 HG21 VAL 25 3HG2 VAL 25 16.357 -1.334 0.891 196 HG22 VAL 25 1HG2 VAL 25 16.884 0.344 0.769 197 HG23 VAL 25 2HG2 VAL 25 17.879 -0.942 0.092 198 H GLY 26 H GLY 26 16.283 -2.776 -0.343 199 HA2 GLY 26 2HA GLY 26 17.797 -5.054 -1.016 200 HA3 GLY 26 1HA GLY 26 18.798 -4.082 0.064 201 H ALA 27 H ALA 27 18.022 -6.552 0.961 202 HA ALA 27 HA ALA 27 15.544 -6.669 2.370 203 HB1 ALA 27 1HB ALA 27 18.091 -7.975 3.300 204 HB2 ALA 27 2HB ALA 27 17.373 -8.442 1.758 205 HB3 ALA 27 3HB ALA 27 16.461 -8.646 3.253 206 H ALA 28 H ALA 28 18.499 -4.968 3.066 207 HA ALA 28 HA ALA 28 18.184 -4.786 5.927 208 HB1 ALA 28 1HB ALA 28 20.336 -4.423 4.957 209 HB2 ALA 28 2HB ALA 28 19.810 -2.833 5.512 210 HB3 ALA 28 3HB ALA 28 19.695 -3.254 3.803 211 H ALA 29 H ALA 29 17.801 -2.239 3.434 212 HA ALA 29 HA ALA 29 16.344 -0.449 5.135 213 HB1 ALA 29 1HB ALA 29 16.594 0.850 3.288 214 HB2 ALA 29 2HB ALA 29 15.686 -0.289 2.294 215 HB3 ALA 29 3HB ALA 29 17.416 -0.521 2.544 216 H VAL 30 H VAL 30 15.425 -3.286 3.349 217 HA VAL 30 HA VAL 30 12.588 -2.720 3.159 218 HB VAL 30 HB VAL 30 14.359 -5.162 2.966 219 HG11 VAL 30 1HG1 VAL 30 11.884 -5.816 1.849 220 HG12 VAL 30 2HG1 VAL 30 11.475 -5.040 3.379 221 HG13 VAL 30 3HG1 VAL 30 12.542 -6.444 3.360 222 HG21 VAL 30 3HG2 VAL 30 14.053 -4.935 0.643 223 HG22 VAL 30 1HG2 VAL 30 14.175 -3.262 1.187 224 HG23 VAL 30 2HG2 VAL 30 12.594 -3.963 0.838 225 H THR 31 H THR 31 14.704 -4.203 5.570 226 HA THR 31 HA THR 31 12.453 -5.197 7.194 227 HB THR 31 HB THR 31 15.424 -4.965 7.778 228 HG1 THR 31 1HG THR 31 15.614 -6.918 6.836 229 HG21 THR 31 3HG2 THR 31 13.096 -6.160 9.160 230 HG22 THR 31 1HG2 THR 31 14.629 -5.591 9.821 231 HG23 THR 31 2HG2 THR 31 14.529 -7.183 9.067 232 H ALA 32 H ALA 32 14.673 -2.444 7.147 233 HA ALA 32 HA ALA 32 13.963 -1.462 9.792 234 HB1 ALA 32 1HB ALA 32 15.256 -0.192 7.355 235 HB2 ALA 32 2HB ALA 32 16.096 -0.967 8.698 236 HB3 ALA 32 3HB ALA 32 15.217 0.540 8.960 237 H ALA 33 H ALA 33 12.630 -1.125 6.570 238 HA ALA 33 HA ALA 33 11.054 1.267 7.172 239 HB1 ALA 33 1HB ALA 33 10.573 1.150 4.921 240 HB2 ALA 33 2HB ALA 33 10.353 -0.599 4.957 241 HB3 ALA 33 3HB ALA 33 11.979 0.084 4.928 242 H ASN 34 H ASN 34 10.814 -1.751 8.400 243 HA ASN 34 HA ASN 34 9.057 -2.961 9.405 244 HB2 ASN 34 2HB ASN 34 8.669 -0.722 10.365 245 HB3 ASN 34 1HB ASN 34 7.686 -0.288 8.967 246 HD21 ASN 34 1HD2 ASN 34 6.479 -0.209 11.503 247 HD22 ASN 34 2HD2 ASN 34 5.372 -1.488 11.647 248 H ILE 35 H ILE 35 9.122 -4.121 7.204 249 HA ILE 35 HA ILE 35 6.492 -3.780 5.794 250 HB ILE 35 HB ILE 35 9.281 -4.462 4.832 251 HG12 ILE 35 2HG1 ILE 35 7.323 -2.516 3.623 252 HG13 ILE 35 1HG1 ILE 35 8.277 -2.057 5.034 253 HG21 ILE 35 1HG2 ILE 35 7.522 -6.049 3.903 254 HG22 ILE 35 2HG2 ILE 35 8.385 -5.097 2.696 255 HG23 ILE 35 3HG2 ILE 35 6.751 -4.640 3.175 256 HD11 ILE 35 3HD1 ILE 35 9.639 -3.298 2.659 257 HD12 ILE 35 1HD1 ILE 35 10.303 -2.212 3.880 258 HD13 ILE 35 2HD1 ILE 35 9.227 -1.583 2.634 259 H ARG 36 H ARG 36 5.206 -5.593 5.909 260 HA ARG 36 HA ARG 36 6.459 -8.127 6.893 261 HB2 ARG 36 2HB ARG 36 3.693 -6.910 7.036 262 HB3 ARG 36 1HB ARG 36 4.003 -8.585 7.487 263 HG2 ARG 36 2HG ARG 36 5.897 -7.575 8.976 264 HG3 ARG 36 1HG ARG 36 5.001 -6.066 8.794 265 HD2 ARG 36 2HD ARG 36 3.152 -6.862 9.975 266 HD3 ARG 36 1HD ARG 36 3.512 -8.558 9.591 267 HE ARG 36 HE ARG 36 5.622 -8.150 11.069 268 HH11 ARG 36 1HH2 ARG 36 2.421 -7.917 11.917 269 HH12 ARG 36 2HH2 ARG 36 2.675 -7.058 13.400 270 HH21 ARG 36 1HH1 ARG 36 6.035 -6.461 12.786 271 HH22 ARG 36 2HH1 ARG 36 4.721 -6.234 13.891 272 H ARG 37 H ARG 37 6.214 -10.007 5.677 273 HA ARG 37 HA ARG 37 5.291 -9.714 2.898 274 HB2 ARG 37 2HB ARG 37 6.946 -11.490 4.541 275 HB3 ARG 37 1HB ARG 37 5.938 -12.377 3.396 276 HG2 ARG 37 2HG ARG 37 6.830 -10.340 1.815 277 HG3 ARG 37 1HG ARG 37 8.215 -10.558 2.886 278 HD2 ARG 37 2HD ARG 37 6.917 -12.981 1.653 279 HD3 ARG 37 1HD ARG 37 8.067 -12.016 0.705 280 HE ARG 37 HE ARG 37 9.702 -12.347 2.587 281 HH11 ARG 37 1HH1 ARG 37 8.692 -14.983 1.214 282 HH12 ARG 37 2HH1 ARG 37 8.602 -16.013 2.603 283 HH21 ARG 37 1HH2 ARG 37 8.829 -13.406 4.879 284 HH22 ARG 37 2HH2 ARG 37 8.680 -15.120 4.678 285 H ALA 38 H ALA 38 3.629 -11.140 1.986 286 HA ALA 38 HA ALA 38 1.717 -12.236 4.020 287 HB1 ALA 38 1HB ALA 38 0.351 -11.266 1.702 288 HB2 ALA 38 2HB ALA 38 1.469 -10.011 2.238 289 HB3 ALA 38 3HB ALA 38 0.260 -10.649 3.351 290 H SER 39 H SER 39 0.203 -13.860 3.030 291 HA SER 39 HA SER 39 1.477 -15.974 1.709 292 HB2 SER 39 2HB SER 39 -0.945 -15.500 2.823 293 HB3 SER 39 1HB SER 39 -1.400 -15.498 1.121 294 HG SER 39 HG SER 39 -0.900 -17.563 0.976 295 H SER 40 H SER 40 0.038 -13.078 0.330 296 HA SER 40 HA SER 40 1.338 -13.500 -2.226 297 HB2 SER 40 2HB SER 40 -1.546 -14.244 -1.802 298 HB3 SER 40 1HB SER 40 -1.024 -13.648 -3.374 299 HG SER 40 HG SER 40 -0.864 -15.935 -3.185 300 H ASP 41 H ASP 41 -0.093 -11.917 -3.890 301 HA ASP 41 HA ASP 41 0.342 -9.264 -2.979 302 HB2 ASP 41 2HB ASP 41 -1.145 -10.623 -5.199 303 HB3 ASP 41 1HB ASP 41 -1.381 -8.890 -4.974 304 H ASN 42 H ASN 42 -2.242 -11.433 -2.286 305 HA ASN 42 HA ASN 42 -4.144 -9.253 -1.611 306 HB2 ASN 42 2HB ASN 42 -4.631 -11.507 -2.808 307 HB3 ASN 42 1HB ASN 42 -4.506 -12.220 -1.199 308 HD21 ASN 42 1HD2 ASN 42 -5.893 -10.921 0.531 309 HD22 ASN 42 2HD2 ASN 42 -7.441 -10.452 0.019 310 H HIS 43 H HIS 43 -3.568 -8.306 0.359 311 HA HIS 43 HA HIS 43 -3.497 -10.102 2.722 312 HB2 HIS 43 2HB HIS 43 -1.452 -8.677 3.466 313 HB3 HIS 43 1HB HIS 43 -1.191 -9.955 2.285 314 HD1 HIS 43 1HD HIS 43 -1.344 -6.207 2.614 315 HD2 HIS 43 2HD HIS 43 -0.523 -9.052 -0.318 316 HE1 HIS 43 1HE HIS 43 -0.257 -4.954 0.686 317 H SER 44 H SER 44 -3.314 -8.584 4.764 318 HA SER 44 HA SER 44 -5.497 -6.644 4.556 319 HB2 SER 44 2HB SER 44 -4.493 -8.332 6.479 320 HB3 SER 44 1HB SER 44 -3.866 -6.775 7.013 321 HG SER 44 HG SER 44 -6.017 -7.338 7.785 322 H CYS 45 H CYS 45 -5.279 -4.380 4.877 323 HA CYS 45 HA CYS 45 -2.508 -3.301 5.079 324 HB2 CYS 45 2HB CYS 45 -3.226 -1.705 3.190 325 HB3 CYS 45 1HB CYS 45 -2.873 -3.363 2.738 326 H ALA 46 H ALA 46 -2.673 -0.818 5.287 327 HA ALA 46 HA ALA 46 -3.382 0.971 6.675 328 HB1 ALA 46 1HB ALA 46 -6.187 0.600 6.519 329 HB2 ALA 46 2HB ALA 46 -5.528 -0.020 5.005 330 HB3 ALA 46 3HB ALA 46 -5.196 1.641 5.498 331 H GLY 47 H GLY 47 -2.877 -1.604 7.966 332 HA2 GLY 47 2HA GLY 47 -3.103 -2.451 10.152 333 HA3 GLY 47 1HA GLY 47 -4.203 -1.113 10.503 334 H ASN 48 H ASN 48 -5.679 -2.603 11.563 335 HA ASN 48 HA ASN 48 -6.865 -4.771 9.991 336 HB2 ASN 48 2HB ASN 48 -7.080 -3.639 12.763 337 HB3 ASN 48 1HB ASN 48 -8.327 -4.746 12.187 338 HD21 ASN 48 1HD2 ASN 48 -5.978 -5.062 14.208 339 HD22 ASN 48 2HD2 ASN 48 -5.218 -6.493 13.705 340 H ARG 49 H ARG 49 -7.208 -2.054 8.912 341 HA ARG 49 HA ARG 49 -10.154 -1.695 9.269 342 HB2 ARG 49 2HB ARG 49 -7.823 0.148 8.790 343 HB3 ARG 49 1HB ARG 49 -9.460 0.658 8.389 344 HG2 ARG 49 2HG ARG 49 -9.641 -0.508 10.945 345 HG3 ARG 49 1HG ARG 49 -8.196 0.501 10.986 346 HD2 ARG 49 2HD ARG 49 -9.929 2.168 9.685 347 HD3 ARG 49 1HD ARG 49 -11.037 1.306 10.771 348 HE ARG 49 HE ARG 49 -8.719 2.954 11.628 349 HH11 ARG 49 1HH1 ARG 49 -11.832 2.673 12.384 350 HH12 ARG 49 2HH1 ARG 49 -11.642 2.242 14.051 351 HH21 ARG 49 1HH2 ARG 49 -8.246 1.604 13.778 352 HH22 ARG 49 2HH2 ARG 49 -9.614 1.638 14.840 353 H GLY 50 H GLY 50 -7.508 -1.993 6.926 354 HA2 GLY 50 2HA GLY 50 -9.595 -2.111 4.779 355 HA3 GLY 50 1HA GLY 50 -8.003 -1.409 4.501 356 H TRP 51 H TRP 51 -8.907 -3.508 2.901 357 HA TRP 51 HA TRP 51 -6.962 -5.651 3.635 358 HB2 TRP 51 2HB TRP 51 -9.903 -5.763 3.501 359 HB3 TRP 51 1HB TRP 51 -9.107 -7.020 2.557 360 HD1 TRP 51 HD TRP 51 -10.202 -6.270 5.966 361 HE1 TRP 51 1HE TRP 51 -9.143 -7.899 7.661 362 HE3 TRP 51 3HE TRP 51 -6.581 -8.359 3.036 363 HZ2 TRP 51 2HZ TRP 51 -7.038 -9.832 7.759 364 HZ3 TRP 51 3HZ TRP 51 -5.064 -10.088 3.954 365 HH2 TRP 51 HH TRP 51 -5.286 -10.829 6.310 366 H CYS 52 H CYS 52 -6.719 -7.166 1.600 367 HA CYS 52 HA CYS 52 -6.728 -5.406 -0.823 368 HB2 CYS 52 2HB CYS 52 -4.630 -6.478 0.322 369 HB3 CYS 52 1HB CYS 52 -5.172 -7.957 -0.471 370 H ARG 53 H ARG 53 -8.460 -5.872 -2.120 371 HA ARG 53 HA ARG 53 -9.116 -8.763 -2.611 372 HB2 ARG 53 2HB ARG 53 -11.077 -6.458 -2.650 373 HB3 ARG 53 1HB ARG 53 -11.436 -8.175 -2.564 374 HG2 ARG 53 2HG ARG 53 -11.373 -8.118 -0.323 375 HG3 ARG 53 1HG ARG 53 -9.742 -7.445 -0.354 376 HD2 ARG 53 2HD ARG 53 -10.682 -5.183 -0.703 377 HD3 ARG 53 1HD ARG 53 -12.320 -5.860 -0.623 378 HE ARG 53 HE ARG 53 -10.408 -5.714 1.644 379 HH11 ARG 53 1HH1 ARG 53 -12.201 -8.249 1.343 380 HH12 ARG 53 2HH1 ARG 53 -13.493 -7.828 2.418 381 HH21 ARG 53 1HH2 ARG 53 -12.606 -4.481 2.602 382 HH22 ARG 53 2HH2 ARG 53 -13.721 -5.697 3.131 383 H SER 54 H SER 54 -9.812 -9.202 -4.817 384 HA SER 54 HA SER 54 -8.480 -7.852 -6.899 385 HB2 SER 54 2HB SER 54 -9.542 -9.442 -8.170 386 HB3 SER 54 1HB SER 54 -10.040 -10.077 -6.603 387 HG SER 54 HG SER 54 -11.457 -8.313 -8.318 388 H LYS 55 H LYS 55 -11.822 -7.457 -5.756 389 HA LYS 55 HA LYS 55 -11.850 -4.718 -6.941 390 HB2 LYS 55 2HB LYS 55 -13.245 -5.645 -8.486 391 HB3 LYS 55 1HB LYS 55 -13.422 -7.124 -7.553 392 HG2 LYS 55 2HG LYS 55 -15.085 -6.033 -6.111 393 HG3 LYS 55 1HG LYS 55 -14.909 -4.533 -7.024 394 HD2 LYS 55 2HD LYS 55 -15.832 -5.505 -8.997 395 HD3 LYS 55 1HD LYS 55 -15.683 -7.140 -8.348 396 HE2 LYS 55 2HE LYS 55 -17.660 -6.984 -7.225 397 HE3 LYS 55 1HE LYS 55 -17.297 -5.343 -6.654 398 HZ1 LYS 55 3HZ LYS 55 -18.977 -4.980 -8.186 399 HZ2 LYS 55 1HZ LYS 55 -18.431 -6.190 -9.242 400 HZ3 LYS 55 2HZ LYS 55 -17.582 -4.723 -9.122 401 H CYS 56 H CYS 56 -13.072 -3.212 -5.653 402 HA CYS 56 HA CYS 56 -13.641 -4.158 -2.886 403 HB2 CYS 56 2HB CYS 56 -13.712 -1.314 -3.900 404 HB3 CYS 56 1HB CYS 56 -13.345 -1.886 -2.276 405 H PHE 57 H PHE 57 -15.670 -3.312 -1.844 406 HA PHE 57 HA PHE 57 -17.984 -3.734 -3.584 407 HB2 PHE 57 2HB PHE 57 -17.537 -3.089 -0.660 408 HB3 PHE 57 1HB PHE 57 -19.149 -3.283 -1.346 409 HD1 PHE 57 1HD PHE 57 -19.444 -5.464 -2.859 410 HD2 PHE 57 2HD PHE 57 -16.487 -4.977 0.218 411 HE1 PHE 57 1HE PHE 57 -19.231 -7.928 -2.675 412 HE2 PHE 57 2HE PHE 57 -16.274 -7.441 0.403 413 HZ PHE 57 HZ PHE 57 -17.645 -8.916 -1.043 414 H ARG 58 H ARG 58 -19.901 -2.054 -3.045 415 HA ARG 58 HA ARG 58 -19.061 0.487 -4.161 416 HB2 ARG 58 2HB ARG 58 -21.285 -1.027 -4.280 417 HB3 ARG 58 1HB ARG 58 -21.766 0.073 -2.989 418 HG2 ARG 58 2HG ARG 58 -22.394 1.436 -4.704 419 HG3 ARG 58 1HG ARG 58 -20.673 1.822 -4.783 420 HD2 ARG 58 2HD ARG 58 -20.748 1.071 -6.929 421 HD3 ARG 58 1HD ARG 58 -20.906 -0.559 -6.244 422 HE ARG 58 HE ARG 58 -23.277 -0.440 -6.578 423 HH11 ARG 58 1HH2 ARG 58 -21.958 2.705 -6.649 424 HH12 ARG 58 2HH2 ARG 58 -23.162 3.349 -7.715 425 HH21 ARG 58 1HH1 ARG 58 -24.710 0.291 -8.241 426 HH22 ARG 58 2HH1 ARG 58 -24.721 1.982 -8.616 427 H HIS 59 H HIS 59 -20.180 -0.652 -0.990 428 HA HIS 59 HA HIS 59 -20.325 1.953 0.243 429 HB2 HIS 59 2HB HIS 59 -20.047 -0.901 1.212 430 HB3 HIS 59 1HB HIS 59 -20.171 0.454 2.334 431 HD1 HIS 59 1HD HIS 59 -22.112 1.615 -0.312 432 HD2 HIS 59 2HD HIS 59 -22.759 -1.376 2.519 433 HE1 HIS 59 1HE HIS 59 -24.615 1.239 -0.226 434 H GLU 60 H GLU 60 -17.684 0.172 -0.886 435 HA GLU 60 HA GLU 60 -15.824 1.626 0.965 436 HB2 GLU 60 2HB GLU 60 -15.964 -1.194 -0.046 437 HB3 GLU 60 1HB GLU 60 -14.382 -0.498 0.290 438 HG2 GLU 60 2HG GLU 60 -15.643 0.265 2.535 439 HG3 GLU 60 1HG GLU 60 -16.589 -1.179 2.169 440 H TYR 61 H TYR 61 -13.479 1.428 -0.232 441 HA TYR 61 HA TYR 61 -13.824 1.972 -3.148 442 HB2 TYR 61 2HB TYR 61 -12.559 4.049 -2.905 443 HB3 TYR 61 1HB TYR 61 -13.950 4.089 -1.829 444 HD1 TYR 61 2HD TYR 61 -13.510 3.098 0.604 445 HD2 TYR 61 1HD TYR 61 -10.461 4.576 -2.036 446 HE1 TYR 61 2HE TYR 61 -11.999 3.443 2.540 447 HE2 TYR 61 1HE TYR 61 -8.952 4.921 -0.100 448 HH TYR 61 HH TYR 61 -10.031 4.854 3.106 449 H VAL 62 H VAL 62 -11.260 2.707 -3.736 450 HA VAL 62 HA VAL 62 -9.694 0.268 -2.975 451 HB VAL 62 HB VAL 62 -9.716 2.114 -5.381 452 HG11 VAL 62 1HG1 VAL 62 -7.461 1.614 -5.356 453 HG12 VAL 62 2HG1 VAL 62 -8.061 0.165 -6.163 454 HG13 VAL 62 3HG1 VAL 62 -7.693 0.127 -4.438 455 HG21 VAL 62 3HG2 VAL 62 -10.716 0.357 -6.521 456 HG22 VAL 62 1HG2 VAL 62 -11.387 0.104 -4.909 457 HG23 VAL 62 2HG2 VAL 62 -10.018 -0.866 -5.458 458 H ASP 63 H ASP 63 -8.759 1.218 -1.037 459 HA ASP 63 HA ASP 63 -7.632 3.690 -0.583 460 HB2 ASP 63 2HB ASP 63 -7.661 1.477 0.794 461 HB3 ASP 63 1HB ASP 63 -6.107 1.158 0.028 462 H THR 64 H THR 64 -6.801 4.648 -2.520 463 HA THR 64 HA THR 64 -4.953 3.498 -4.330 464 HB THR 64 HB THR 64 -4.339 6.070 -4.517 465 HG1 THR 64 1HG THR 64 -5.572 7.358 -3.355 466 HG21 THR 64 3HG2 THR 64 -7.124 4.981 -5.009 467 HG22 THR 64 1HG2 THR 64 -5.752 4.841 -6.108 468 HG23 THR 64 2HG2 THR 64 -6.448 6.425 -5.763 469 H TYR 65 H TYR 65 -4.421 4.992 -1.176 470 HA TYR 65 HA TYR 65 -1.574 5.338 -1.384 471 HB2 TYR 65 2HB TYR 65 -3.350 6.241 0.287 472 HB3 TYR 65 1HB TYR 65 -3.097 4.722 1.145 473 HD1 TYR 65 2HD TYR 65 -0.829 4.130 2.010 474 HD2 TYR 65 1HD TYR 65 -1.693 7.984 0.319 475 HE1 TYR 65 2HE TYR 65 1.234 5.044 3.037 476 HE2 TYR 65 1HE TYR 65 0.370 8.897 1.347 477 HH TYR 65 HH TYR 65 2.507 8.111 2.188 478 H TYR 66 H TYR 66 -3.536 2.717 0.077 479 HA TYR 66 HA TYR 66 -1.127 1.098 0.556 480 HB2 TYR 66 2HB TYR 66 -4.069 0.954 1.121 481 HB3 TYR 66 1HB TYR 66 -3.093 -0.509 1.277 482 HD1 TYR 66 2HD TYR 66 -1.255 -0.634 2.910 483 HD2 TYR 66 1HD TYR 66 -3.759 2.842 2.616 484 HE1 TYR 66 2HE TYR 66 -0.400 0.165 5.096 485 HE2 TYR 66 1HE TYR 66 -2.904 3.642 4.802 486 HH TYR 66 HH TYR 66 -0.254 2.786 6.165 487 H SER 67 H SER 67 -3.158 1.593 -2.109 488 HA SER 67 HA SER 67 -3.574 -0.969 -3.217 489 HB2 SER 67 2HB SER 67 -4.452 0.587 -4.630 490 HB3 SER 67 1HB SER 67 -3.319 1.824 -4.090 491 HG SER 67 HG SER 67 -2.976 1.251 -6.275 492 H ALA 68 H ALA 68 -0.635 0.792 -2.669 493 HA ALA 68 HA ALA 68 1.049 -0.525 -4.606 494 HB1 ALA 68 1HB ALA 68 2.817 0.358 -2.928 495 HB2 ALA 68 2HB ALA 68 1.442 1.022 -2.044 496 HB3 ALA 68 3HB ALA 68 1.763 1.544 -3.699 497 H VAL 69 H VAL 69 1.140 -0.906 -1.023 498 HA VAL 69 HA VAL 69 2.660 -3.236 -0.910 499 HB VAL 69 HB VAL 69 1.831 -1.901 1.017 500 HG11 VAL 69 1HG1 VAL 69 -0.430 -1.472 0.468 501 HG12 VAL 69 2HG1 VAL 69 -0.478 -2.538 1.873 502 HG13 VAL 69 3HG1 VAL 69 -0.779 -3.189 0.260 503 HG21 VAL 69 3HG2 VAL 69 0.950 -4.076 2.316 504 HG22 VAL 69 1HG2 VAL 69 2.647 -3.853 1.889 505 HG23 VAL 69 2HG2 VAL 69 1.604 -4.848 0.877 506 H CYS 70 H CYS 70 -0.722 -2.883 -1.809 507 HA CYS 70 HA CYS 70 -1.549 -5.606 -1.688 508 HB2 CYS 70 2HB CYS 70 -2.347 -3.063 -2.931 509 HB3 CYS 70 1HB CYS 70 -2.856 -4.479 -3.852 510 H GLY 71 H GLY 71 -0.781 -3.875 -4.731 511 HA2 GLY 71 2HA GLY 71 0.901 -4.649 -6.323 512 HA3 GLY 71 1HA GLY 71 0.779 -6.258 -5.610 513 H ARG 72 H ARG 72 -0.591 -7.705 -6.568 514 HA ARG 72 HA ARG 72 -1.789 -7.162 -9.105 515 HB2 ARG 72 2HB ARG 72 -1.136 -9.341 -7.571 516 HB3 ARG 72 1HB ARG 72 -2.897 -9.359 -7.466 517 HG2 ARG 72 2HG ARG 72 -2.042 -8.799 -10.179 518 HG3 ARG 72 1HG ARG 72 -1.334 -10.308 -9.600 519 HD2 ARG 72 2HD ARG 72 -3.334 -11.370 -9.723 520 HD3 ARG 72 1HD ARG 72 -4.139 -10.073 -8.817 521 HE ARG 72 HE ARG 72 -4.580 -8.936 -10.890 522 HH11 ARG 72 1HH1 ARG 72 -1.801 -10.330 -11.794 523 HH12 ARG 72 2HH1 ARG 72 -2.368 -11.055 -13.261 524 HH21 ARG 72 1HH2 ARG 72 -5.717 -10.504 -12.550 525 HH22 ARG 72 2HH2 ARG 72 -4.585 -11.154 -13.689 526 H TYR 73 H TYR 73 -3.338 -7.708 -5.917 527 HA TYR 73 HA TYR 73 -5.942 -6.785 -6.930 528 HB2 TYR 73 2HB TYR 73 -4.894 -7.561 -4.189 529 HB3 TYR 73 1HB TYR 73 -6.592 -7.268 -4.563 530 HD1 TYR 73 2HD TYR 73 -6.735 -8.478 -7.298 531 HD2 TYR 73 1HD TYR 73 -4.865 -9.874 -3.692 532 HE1 TYR 73 2HE TYR 73 -6.964 -10.819 -8.083 533 HE2 TYR 73 1HE TYR 73 -5.096 -12.214 -4.475 534 HH TYR 73 HH TYR 73 -6.617 -12.957 -7.619 535 H PHE 74 H PHE 74 -6.971 -5.283 -4.915 536 HA PHE 74 HA PHE 74 -5.139 -2.916 -4.683 537 HB2 PHE 74 2HB PHE 74 -8.140 -2.758 -4.997 538 HB3 PHE 74 1HB PHE 74 -6.938 -1.508 -5.316 539 HD1 PHE 74 2HD PHE 74 -5.435 -1.694 -7.308 540 HD2 PHE 74 1HD PHE 74 -8.699 -4.403 -6.639 541 HE1 PHE 74 2HE PHE 74 -5.327 -2.411 -9.679 542 HE2 PHE 74 1HE PHE 74 -8.594 -5.121 -9.010 543 HZ PHE 74 HZ PHE 74 -6.905 -4.125 -10.532 544 H CYS 75 H CYS 75 -5.179 -1.906 -2.653 545 HA CYS 75 HA CYS 75 -6.382 -3.409 -0.447 546 HB2 CYS 75 2HB CYS 75 -4.214 -2.447 -0.125 547 HB3 CYS 75 1HB CYS 75 -4.740 -0.881 -0.741 548 H CYS 76 H CYS 76 -8.665 -3.183 -0.598 549 HA CYS 76 HA CYS 76 -9.904 -0.580 -1.072 550 HB2 CYS 76 2HB CYS 76 -11.136 -3.116 0.031 551 HB3 CYS 76 1HB CYS 76 -11.941 -1.845 -0.886 552 H ARG 77 H ARG 77 -11.417 0.367 0.567 553 HA ARG 77 HA ARG 77 -10.866 -0.301 3.401 554 HB2 ARG 77 2HB ARG 77 -9.783 2.005 1.862 555 HB3 ARG 77 1HB ARG 77 -10.363 2.353 3.490 556 HG2 ARG 77 2HG ARG 77 -8.957 0.128 4.025 557 HG3 ARG 77 1HG ARG 77 -8.057 0.684 2.612 558 HD2 ARG 77 2HD ARG 77 -7.094 1.638 4.685 559 HD3 ARG 77 1HD ARG 77 -7.805 2.924 3.690 560 HE ARG 77 HE ARG 77 -9.881 1.983 5.335 561 HH11 ARG 77 1HH1 ARG 77 -6.678 2.654 6.220 562 HH12 ARG 77 2HH1 ARG 77 -7.089 3.795 7.457 563 HH21 ARG 77 1HH2 ARG 77 -10.473 3.796 6.700 564 HH22 ARG 77 2HH2 ARG 77 -9.238 4.442 7.728 565 H SER 78 H SER 78 -12.037 1.617 4.744 566 HA SER 78 HA SER 78 -14.788 1.795 3.596 567 HB2 SER 78 2HB SER 78 -15.178 2.437 6.110 568 HB3 SER 78 1HB SER 78 -14.807 0.763 5.708 569 HG SER 78 HG SER 78 -12.866 0.977 6.564 570 H ARG 79 H ARG 79 -14.409 3.665 2.236 571 HA ARG 79 HA ARG 79 -13.158 6.079 2.851 572 HB2 ARG 79 2HB ARG 79 -14.095 5.625 0.684 573 HB3 ARG 79 1HB ARG 79 -15.714 5.434 1.358 574 HG2 ARG 79 2HG ARG 79 -16.095 7.666 1.361 575 HG3 ARG 79 1HG ARG 79 -14.491 8.023 2.002 576 HD2 ARG 79 2HD ARG 79 -14.092 7.066 -0.642 577 HD3 ARG 79 1HD ARG 79 -15.407 8.256 -0.719 578 HE ARG 79 HE ARG 79 -12.704 8.791 0.441 579 HH11 ARG 79 1HH2 ARG 79 -15.855 9.966 0.389 580 HH12 ARG 79 2HH2 ARG 79 -15.436 11.564 -0.131 581 HH21 ARG 79 1HH1 ARG 79 -12.110 10.782 -0.727 582 HH22 ARG 79 2HH1 ARG 79 -13.316 12.026 -0.763 Start of MODEL 19 1 H1 ASN 1 1HT ASN 1 19.707 6.310 -8.930 2 H2 ASN 1 2HT ASN 1 18.248 6.815 -9.641 3 H3 ASN 1 3HT ASN 1 18.385 5.248 -8.997 4 HA ASN 1 HA ASN 1 18.988 6.672 -6.826 5 HB2 ASN 1 2HB ASN 1 18.518 8.630 -8.533 6 HB3 ASN 1 1HB ASN 1 16.829 8.283 -8.159 7 HD21 ASN 1 1HD2 ASN 1 16.160 9.792 -6.623 8 HD22 ASN 1 2HD2 ASN 1 17.049 10.236 -5.247 9 HA PRO 2 HA PRO 2 15.599 4.033 -5.803 10 HB2 PRO 2 2HB PRO 2 15.445 4.635 -3.137 11 HB3 PRO 2 1HB PRO 2 16.722 3.612 -3.824 12 HG2 PRO 2 2HG PRO 2 16.814 6.479 -3.036 13 HG3 PRO 2 1HG PRO 2 18.046 5.219 -2.862 14 HD2 PRO 2 2HD PRO 2 18.092 7.126 -4.819 15 HD3 PRO 2 1HD PRO 2 18.838 5.520 -4.985 16 H LEU 3 H LEU 3 13.389 4.285 -4.641 17 HA LEU 3 HA LEU 3 12.304 6.909 -4.161 18 HB2 LEU 3 2HB LEU 3 11.197 7.329 -6.219 19 HB3 LEU 3 1HB LEU 3 12.810 6.798 -6.688 20 HG LEU 3 HG LEU 3 10.236 5.215 -6.759 21 HD11 LEU 3 1HD1 LEU 3 10.365 5.936 -8.894 22 HD12 LEU 3 2HD1 LEU 3 11.723 4.825 -9.071 23 HD13 LEU 3 3HD1 LEU 3 12.015 6.518 -8.675 24 HD21 LEU 3 3HD2 LEU 3 13.102 4.257 -6.791 25 HD22 LEU 3 1HD2 LEU 3 11.802 3.326 -7.534 26 HD23 LEU 3 2HD2 LEU 3 11.768 3.662 -5.804 27 H ILE 4 H ILE 4 12.158 4.394 -2.848 28 HA ILE 4 HA ILE 4 9.763 2.916 -3.396 29 HB ILE 4 HB ILE 4 11.676 3.319 -1.129 30 HG12 ILE 4 2HG1 ILE 4 11.970 1.685 -3.049 31 HG13 ILE 4 1HG1 ILE 4 12.053 0.964 -1.441 32 HG21 ILE 4 1HG2 ILE 4 9.979 3.096 0.386 33 HG22 ILE 4 2HG2 ILE 4 10.037 1.398 -0.084 34 HG23 ILE 4 3HG2 ILE 4 8.852 2.476 -0.819 35 HD11 ILE 4 3HD1 ILE 4 9.688 0.940 -3.334 36 HD12 ILE 4 1HD1 ILE 4 9.597 0.415 -1.652 37 HD13 ILE 4 2HD1 ILE 4 10.633 -0.446 -2.791 38 HA PRO 5 HA PRO 5 6.754 5.749 -1.848 39 HB2 PRO 5 2HB PRO 5 4.687 3.988 -1.533 40 HB3 PRO 5 1HB PRO 5 5.216 4.576 -3.118 41 HG2 PRO 5 2HG PRO 5 5.730 1.975 -1.801 42 HG3 PRO 5 1HG PRO 5 5.495 2.347 -3.514 43 HD2 PRO 5 2HD PRO 5 7.942 1.875 -2.327 44 HD3 PRO 5 1HD PRO 5 7.705 2.759 -3.850 45 H ALA 6 H ALA 6 5.373 5.982 0.145 46 HA ALA 6 HA ALA 6 6.791 5.014 2.505 47 HB1 ALA 6 1HB ALA 6 6.097 7.096 3.057 48 HB2 ALA 6 2HB ALA 6 4.485 6.410 3.261 49 HB3 ALA 6 3HB ALA 6 4.949 7.126 1.717 50 H ILE 7 H ILE 7 3.937 4.156 0.724 51 HA ILE 7 HA ILE 7 2.292 2.998 2.682 52 HB ILE 7 HB ILE 7 1.444 3.139 0.501 53 HG12 ILE 7 2HG1 ILE 7 0.849 0.892 -0.130 54 HG13 ILE 7 1HG1 ILE 7 2.281 0.233 0.661 55 HG21 ILE 7 1HG2 ILE 7 4.156 2.601 -0.247 56 HG22 ILE 7 2HG2 ILE 7 2.839 3.184 -1.259 57 HG23 ILE 7 3HG2 ILE 7 3.114 1.452 -1.082 58 HD11 ILE 7 3HD1 ILE 7 1.398 1.149 2.839 59 HD12 ILE 7 1HD1 ILE 7 0.404 -0.125 2.136 60 HD13 ILE 7 2HD1 ILE 7 -0.092 1.561 1.994 61 H TYR 8 H TYR 8 4.847 1.294 0.825 62 HA TYR 8 HA TYR 8 4.678 -1.222 2.011 63 HB2 TYR 8 2HB TYR 8 7.126 0.383 1.211 64 HB3 TYR 8 1HB TYR 8 7.094 -1.367 1.422 65 HD1 TYR 8 2HD TYR 8 4.286 -1.841 0.321 66 HD2 TYR 8 1HD TYR 8 7.598 0.470 -1.144 67 HE1 TYR 8 2HE TYR 8 3.441 -2.099 -1.992 68 HE2 TYR 8 1HE TYR 8 6.749 0.212 -3.460 69 HH TYR 8 HH TYR 8 5.324 -1.131 -4.756 70 H ILE 9 H ILE 9 5.890 1.754 3.411 71 HA ILE 9 HA ILE 9 7.337 0.551 5.605 72 HB ILE 9 HB ILE 9 5.981 3.256 5.338 73 HG12 ILE 9 2HG1 ILE 9 8.784 2.342 4.614 74 HG13 ILE 9 1HG1 ILE 9 7.523 2.813 3.475 75 HG21 ILE 9 1HG2 ILE 9 6.961 2.254 7.617 76 HG22 ILE 9 2HG2 ILE 9 7.173 3.951 7.185 77 HG23 ILE 9 3HG2 ILE 9 8.480 2.800 6.906 78 HD11 ILE 9 3HD1 ILE 9 7.573 4.988 5.130 79 HD12 ILE 9 1HD1 ILE 9 8.480 4.873 3.622 80 HD13 ILE 9 2HD1 ILE 9 9.269 4.502 5.156 81 H GLY 10 H GLY 10 6.533 -0.189 7.569 82 HA2 GLY 10 2HA GLY 10 4.907 -0.959 9.085 83 HA3 GLY 10 1HA GLY 10 4.166 0.629 8.857 84 H ALA 11 H ALA 11 4.674 -1.693 6.268 85 HA ALA 11 HA ALA 11 1.687 -2.025 6.080 86 HB1 ALA 11 1HB ALA 11 2.826 -2.386 3.547 87 HB2 ALA 11 2HB ALA 11 3.730 -1.048 4.254 88 HB3 ALA 11 3HB ALA 11 1.976 -0.948 4.112 89 H THR 12 H THR 12 1.775 -3.905 3.959 90 HA THR 12 HA THR 12 3.472 -6.163 4.877 91 HB THR 12 HB THR 12 0.469 -5.965 5.162 92 HG1 THR 12 1HG THR 12 1.715 -7.204 7.141 93 HG21 THR 12 3HG2 THR 12 0.924 -8.059 3.981 94 HG22 THR 12 1HG2 THR 12 0.489 -8.403 5.656 95 HG23 THR 12 2HG2 THR 12 2.178 -8.470 5.150 96 H VAL 13 H VAL 13 4.304 -6.251 2.708 97 HA VAL 13 HA VAL 13 2.372 -6.520 0.470 98 HB VAL 13 HB VAL 13 4.321 -6.219 -0.891 99 HG11 VAL 13 1HG1 VAL 13 5.419 -4.257 0.112 100 HG12 VAL 13 2HG1 VAL 13 4.777 -4.698 1.695 101 HG13 VAL 13 3HG1 VAL 13 3.681 -4.211 0.403 102 HG21 VAL 13 3HG2 VAL 13 5.876 -7.009 1.592 103 HG22 VAL 13 1HG2 VAL 13 6.623 -6.370 0.127 104 HG23 VAL 13 2HG2 VAL 13 5.764 -7.909 0.079 105 H GLY 14 H GLY 14 2.808 -8.372 -1.102 106 HA2 GLY 14 2HA GLY 14 2.842 -10.894 0.388 107 HA3 GLY 14 1HA GLY 14 2.559 -10.719 -1.344 108 HA PRO 15 HA PRO 15 6.809 -12.387 -0.806 109 HB2 PRO 15 2HB PRO 15 6.550 -14.354 -2.690 110 HB3 PRO 15 1HB PRO 15 6.072 -14.572 -0.995 111 HG2 PRO 15 2HG PRO 15 4.388 -14.026 -3.382 112 HG3 PRO 15 1HG PRO 15 4.057 -15.045 -1.974 113 HD2 PRO 15 2HD PRO 15 3.018 -12.533 -2.332 114 HD3 PRO 15 1HD PRO 15 3.244 -13.304 -0.748 115 H SER 16 H SER 16 5.042 -12.228 -3.928 116 HA SER 16 HA SER 16 7.296 -11.647 -5.571 117 HB2 SER 16 2HB SER 16 5.665 -11.397 -7.201 118 HB3 SER 16 1HB SER 16 4.716 -12.226 -5.970 119 HG SER 16 HG SER 16 4.872 -9.440 -6.491 120 H VAL 17 H VAL 17 4.922 -9.417 -4.072 121 HA VAL 17 HA VAL 17 6.071 -6.984 -4.989 122 HB VAL 17 HB VAL 17 4.664 -7.568 -2.363 123 HG11 VAL 17 1HG1 VAL 17 3.916 -5.263 -2.510 124 HG12 VAL 17 2HG1 VAL 17 4.667 -5.078 -4.095 125 HG13 VAL 17 3HG1 VAL 17 5.673 -5.285 -2.661 126 HG21 VAL 17 3HG2 VAL 17 2.683 -6.750 -3.961 127 HG22 VAL 17 1HG2 VAL 17 3.142 -8.450 -3.867 128 HG23 VAL 17 2HG2 VAL 17 3.723 -7.453 -5.200 129 H TRP 18 H TRP 18 6.642 -8.784 -1.946 130 HA TRP 18 HA TRP 18 8.447 -7.060 -0.675 131 HB2 TRP 18 2HB TRP 18 7.482 -9.254 0.124 132 HB3 TRP 18 1HB TRP 18 8.667 -10.079 -0.889 133 HD1 TRP 18 HD TRP 18 9.110 -6.998 1.404 134 HE1 TRP 18 1HE TRP 18 11.046 -7.483 3.035 135 HE3 TRP 18 3HE TRP 18 10.212 -11.798 0.059 136 HZ2 TRP 18 2HZ TRP 18 12.827 -9.626 3.684 137 HZ3 TRP 18 3HZ TRP 18 12.030 -13.038 1.199 138 HH2 TRP 18 HH TRP 18 13.339 -11.958 3.008 139 H ALA 19 H ALA 19 9.452 -9.835 -2.714 140 HA ALA 19 HA ALA 19 12.165 -9.285 -2.962 141 HB1 ALA 19 1HB ALA 19 11.966 -11.008 -4.420 142 HB2 ALA 19 2HB ALA 19 10.967 -10.043 -5.508 143 HB3 ALA 19 3HB ALA 19 10.224 -10.911 -4.165 144 H TYR 20 H TYR 20 9.486 -7.762 -4.717 145 HA TYR 20 HA TYR 20 10.999 -6.279 -6.625 146 HB2 TYR 20 2HB TYR 20 8.480 -6.680 -6.421 147 HB3 TYR 20 1HB TYR 20 8.469 -5.394 -5.215 148 HD1 TYR 20 2HD TYR 20 10.192 -5.892 -8.518 149 HD2 TYR 20 1HD TYR 20 7.694 -3.383 -6.086 150 HE1 TYR 20 2HE TYR 20 10.142 -4.191 -10.323 151 HE2 TYR 20 1HE TYR 20 7.645 -1.682 -7.890 152 HH TYR 20 HH TYR 20 8.913 -1.014 -9.820 153 H LEU 21 H LEU 21 9.696 -5.185 -3.469 154 HA LEU 21 HA LEU 21 10.884 -2.626 -3.406 155 HB2 LEU 21 2HB LEU 21 9.205 -3.969 -1.858 156 HB3 LEU 21 1HB LEU 21 10.671 -4.337 -0.950 157 HG LEU 21 HG LEU 21 9.598 -1.584 -1.624 158 HD11 LEU 21 1HD1 LEU 21 9.437 -3.382 0.686 159 HD12 LEU 21 2HD1 LEU 21 8.484 -1.945 0.313 160 HD13 LEU 21 3HD1 LEU 21 10.055 -1.784 1.102 161 HD21 LEU 21 3HD2 LEU 21 11.573 -0.862 -0.165 162 HD22 LEU 21 1HD2 LEU 21 11.982 -1.435 -1.782 163 HD23 LEU 21 2HD2 LEU 21 12.208 -2.491 -0.389 164 H VAL 22 H VAL 22 12.245 -5.788 -2.521 165 HA VAL 22 HA VAL 22 14.637 -4.900 -1.264 166 HB VAL 22 HB VAL 22 13.832 -7.328 -2.873 167 HG11 VAL 22 1HG1 VAL 22 16.175 -7.310 -3.201 168 HG12 VAL 22 2HG1 VAL 22 15.951 -8.335 -1.784 169 HG13 VAL 22 3HG1 VAL 22 16.482 -6.664 -1.588 170 HG21 VAL 22 3HG2 VAL 22 13.641 -6.443 -0.111 171 HG22 VAL 22 1HG2 VAL 22 14.524 -7.966 -0.223 172 HG23 VAL 22 2HG2 VAL 22 12.893 -7.840 -0.884 173 H ALA 23 H ALA 23 14.104 -5.839 -4.668 174 HA ALA 23 HA ALA 23 16.661 -5.253 -5.689 175 HB1 ALA 23 1HB ALA 23 13.999 -5.797 -6.613 176 HB2 ALA 23 2HB ALA 23 15.518 -6.021 -7.478 177 HB3 ALA 23 3HB ALA 23 14.666 -4.480 -7.578 178 H LEU 24 H LEU 24 13.881 -3.074 -5.188 179 HA LEU 24 HA LEU 24 14.972 -0.746 -6.407 180 HB2 LEU 24 2HB LEU 24 12.620 -1.447 -5.369 181 HB3 LEU 24 1HB LEU 24 13.260 -0.610 -3.956 182 HG LEU 24 HG LEU 24 13.631 1.412 -5.267 183 HD11 LEU 24 1HD1 LEU 24 12.528 1.252 -7.682 184 HD12 LEU 24 2HD1 LEU 24 12.976 -0.447 -7.521 185 HD13 LEU 24 3HD1 LEU 24 14.215 0.804 -7.425 186 HD21 LEU 24 3HD2 LEU 24 11.476 1.970 -4.909 187 HD22 LEU 24 1HD2 LEU 24 11.102 0.257 -4.718 188 HD23 LEU 24 2HD2 LEU 24 10.966 1.018 -6.303 189 H VAL 25 H VAL 25 15.247 -2.029 -3.104 190 HA VAL 25 HA VAL 25 17.436 -0.041 -2.611 191 HB VAL 25 HB VAL 25 15.680 0.782 -1.302 192 HG11 VAL 25 1HG1 VAL 25 14.359 -1.096 0.114 193 HG12 VAL 25 2HG1 VAL 25 14.796 -2.057 -1.298 194 HG13 VAL 25 3HG1 VAL 25 13.850 -0.581 -1.494 195 HG21 VAL 25 3HG2 VAL 25 16.314 -1.068 0.867 196 HG22 VAL 25 1HG2 VAL 25 16.627 0.663 0.737 197 HG23 VAL 25 2HG2 VAL 25 17.755 -0.492 0.029 198 H GLY 26 H GLY 26 16.325 -2.505 -0.340 199 HA2 GLY 26 2HA GLY 26 18.057 -4.626 -1.033 200 HA3 GLY 26 1HA GLY 26 18.942 -3.562 0.061 201 H ALA 27 H ALA 27 18.314 -6.164 0.857 202 HA ALA 27 HA ALA 27 15.873 -6.491 2.268 203 HB1 ALA 27 1HB ALA 27 18.520 -7.578 3.206 204 HB2 ALA 27 2HB ALA 27 17.846 -8.099 1.662 205 HB3 ALA 27 3HB ALA 27 16.953 -8.385 3.155 206 H ALA 28 H ALA 28 18.691 -4.582 3.043 207 HA ALA 28 HA ALA 28 18.284 -4.455 5.895 208 HB1 ALA 28 1HB ALA 28 20.123 -3.042 5.799 209 HB2 ALA 28 2HB ALA 28 19.551 -2.239 4.336 210 HB3 ALA 28 3HB ALA 28 20.287 -3.839 4.234 211 H ALA 29 H ALA 29 17.781 -1.916 3.414 212 HA ALA 29 HA ALA 29 16.170 -0.245 5.097 213 HB1 ALA 29 1HB ALA 29 16.406 1.083 3.273 214 HB2 ALA 29 2HB ALA 29 15.546 -0.076 2.259 215 HB3 ALA 29 3HB ALA 29 17.283 -0.243 2.510 216 H VAL 30 H VAL 30 15.474 -3.123 3.268 217 HA VAL 30 HA VAL 30 12.605 -2.723 3.032 218 HB VAL 30 HB VAL 30 14.501 -5.076 2.836 219 HG11 VAL 30 1HG1 VAL 30 11.512 -4.982 2.328 220 HG12 VAL 30 2HG1 VAL 30 12.338 -5.948 3.552 221 HG13 VAL 30 3HG1 VAL 30 12.569 -6.308 1.841 222 HG21 VAL 30 3HG2 VAL 30 12.857 -4.119 0.558 223 HG22 VAL 30 1HG2 VAL 30 14.547 -4.623 0.592 224 HG23 VAL 30 2HG2 VAL 30 14.098 -3.002 1.124 225 H THR 31 H THR 31 14.762 -4.218 5.423 226 HA THR 31 HA THR 31 12.482 -5.271 6.987 227 HB THR 31 HB THR 31 15.428 -5.160 7.690 228 HG1 THR 31 1HG THR 31 14.005 -7.058 6.136 229 HG21 THR 31 3HG2 THR 31 14.061 -5.881 9.526 230 HG22 THR 31 1HG2 THR 31 14.791 -7.330 8.834 231 HG23 THR 31 2HG2 THR 31 13.109 -6.934 8.480 232 H ALA 32 H ALA 32 14.513 -2.447 6.879 233 HA ALA 32 HA ALA 32 13.986 -1.634 9.654 234 HB1 ALA 32 1HB ALA 32 14.924 0.356 7.692 235 HB2 ALA 32 2HB ALA 32 15.891 -1.118 7.727 236 HB3 ALA 32 3HB ALA 32 15.674 -0.170 9.199 237 H ALA 33 H ALA 33 12.570 -1.152 6.490 238 HA ALA 33 HA ALA 33 10.991 1.192 7.253 239 HB1 ALA 33 1HB ALA 33 9.866 0.266 4.983 240 HB2 ALA 33 2HB ALA 33 11.395 -0.607 4.912 241 HB3 ALA 33 3HB ALA 33 11.388 1.156 4.983 242 H ASN 34 H ASN 34 10.794 -1.867 8.344 243 HA ASN 34 HA ASN 34 9.060 -3.145 9.304 244 HB2 ASN 34 2HB ASN 34 8.619 -0.997 10.387 245 HB3 ASN 34 1HB ASN 34 7.696 -0.453 8.988 246 HD21 ASN 34 1HD2 ASN 34 6.318 -0.452 11.376 247 HD22 ASN 34 2HD2 ASN 34 5.218 -1.745 11.437 248 H ILE 35 H ILE 35 9.106 -4.267 7.108 249 HA ILE 35 HA ILE 35 6.483 -3.889 5.694 250 HB ILE 35 HB ILE 35 9.253 -4.594 4.683 251 HG12 ILE 35 2HG1 ILE 35 7.876 -2.559 3.208 252 HG13 ILE 35 1HG1 ILE 35 7.766 -2.168 4.924 253 HG21 ILE 35 1HG2 ILE 35 6.543 -4.817 3.367 254 HG22 ILE 35 2HG2 ILE 35 7.820 -6.031 3.453 255 HG23 ILE 35 3HG2 ILE 35 8.018 -4.615 2.421 256 HD11 ILE 35 3HD1 ILE 35 10.134 -2.195 5.188 257 HD12 ILE 35 1HD1 ILE 35 9.841 -1.297 3.699 258 HD13 ILE 35 2HD1 ILE 35 10.373 -2.977 3.625 259 H ARG 36 H ARG 36 5.241 -5.611 6.390 260 HA ARG 36 HA ARG 36 6.489 -8.195 7.065 261 HB2 ARG 36 2HB ARG 36 3.641 -7.149 7.052 262 HB3 ARG 36 1HB ARG 36 4.116 -8.726 7.683 263 HG2 ARG 36 2HG ARG 36 5.516 -6.254 8.662 264 HG3 ARG 36 1HG ARG 36 3.939 -6.684 9.325 265 HD2 ARG 36 2HD ARG 36 5.254 -9.106 9.397 266 HD3 ARG 36 1HD ARG 36 6.554 -7.958 9.776 267 HE ARG 36 HE ARG 36 5.242 -7.155 11.660 268 HH11 ARG 36 1HH1 ARG 36 2.715 -8.208 9.984 269 HH12 ARG 36 2HH1 ARG 36 2.072 -9.302 11.163 270 HH21 ARG 36 1HH2 ARG 36 4.908 -9.239 13.156 271 HH22 ARG 36 2HH2 ARG 36 3.315 -9.886 12.958 272 H ARG 37 H ARG 37 5.806 -10.201 6.029 273 HA ARG 37 HA ARG 37 5.180 -9.833 3.134 274 HB2 ARG 37 2HB ARG 37 6.741 -11.690 4.839 275 HB3 ARG 37 1HB ARG 37 5.912 -12.440 3.474 276 HG2 ARG 37 2HG ARG 37 6.953 -10.219 2.279 277 HG3 ARG 37 1HG ARG 37 8.191 -10.556 3.490 278 HD2 ARG 37 2HD ARG 37 7.151 -12.872 1.902 279 HD3 ARG 37 1HD ARG 37 8.269 -11.749 1.104 280 HE ARG 37 HE ARG 37 9.801 -12.118 3.096 281 HH11 ARG 37 1HH1 ARG 37 7.273 -13.881 4.064 282 HH12 ARG 37 2HH1 ARG 37 8.047 -15.430 4.060 283 HH21 ARG 37 1HH2 ARG 37 10.836 -14.329 2.319 284 HH22 ARG 37 2HH2 ARG 37 10.064 -15.684 3.071 285 H ALA 38 H ALA 38 3.493 -11.098 2.168 286 HA ALA 38 HA ALA 38 1.584 -12.355 4.116 287 HB1 ALA 38 1HB ALA 38 1.334 -10.244 2.086 288 HB2 ALA 38 2HB ALA 38 0.285 -10.607 3.456 289 HB3 ALA 38 3HB ALA 38 0.099 -11.495 1.943 290 H SER 39 H SER 39 0.386 -14.188 3.263 291 HA SER 39 HA SER 39 1.743 -16.143 1.855 292 HB2 SER 39 2HB SER 39 -1.223 -15.507 1.753 293 HB3 SER 39 1HB SER 39 -0.504 -17.079 1.412 294 HG SER 39 HG SER 39 0.199 -17.178 3.533 295 H SER 40 H SER 40 0.148 -13.317 0.522 296 HA SER 40 HA SER 40 1.411 -13.741 -2.080 297 HB2 SER 40 2HB SER 40 -1.341 -14.611 -1.483 298 HB3 SER 40 1HB SER 40 -1.209 -13.601 -2.919 299 HG SER 40 HG SER 40 0.674 -15.089 -3.379 300 H ASP 41 H ASP 41 -0.265 -12.095 -3.614 301 HA ASP 41 HA ASP 41 0.425 -9.461 -2.613 302 HB2 ASP 41 2HB ASP 41 -1.034 -10.657 -4.955 303 HB3 ASP 41 1HB ASP 41 -1.117 -8.915 -4.687 304 H ASN 42 H ASN 42 -2.225 -11.546 -2.042 305 HA ASN 42 HA ASN 42 -4.133 -9.340 -1.482 306 HB2 ASN 42 2HB ASN 42 -4.661 -11.538 -2.678 307 HB3 ASN 42 1HB ASN 42 -4.462 -12.328 -1.114 308 HD21 ASN 42 1HD2 ASN 42 -6.953 -11.764 -2.879 309 HD22 ASN 42 2HD2 ASN 42 -8.052 -11.052 -1.799 310 H HIS 43 H HIS 43 -3.624 -8.359 0.488 311 HA HIS 43 HA HIS 43 -3.625 -10.116 2.891 312 HB2 HIS 43 2HB HIS 43 -1.645 -8.564 3.660 313 HB3 HIS 43 1HB HIS 43 -1.312 -9.931 2.604 314 HD1 HIS 43 1HD HIS 43 -1.254 -6.212 2.720 315 HD2 HIS 43 2HD HIS 43 -0.824 -9.202 -0.152 316 HE1 HIS 43 1HE HIS 43 -0.200 -5.107 0.689 317 H SER 44 H SER 44 -3.603 -8.602 4.918 318 HA SER 44 HA SER 44 -5.784 -6.671 4.594 319 HB2 SER 44 2HB SER 44 -5.179 -6.473 7.152 320 HB3 SER 44 1HB SER 44 -5.903 -7.958 6.547 321 HG SER 44 HG SER 44 -3.916 -8.123 7.879 322 H CYS 45 H CYS 45 -5.431 -4.518 4.173 323 HA CYS 45 HA CYS 45 -2.720 -3.407 4.814 324 HB2 CYS 45 2HB CYS 45 -3.295 -1.810 2.937 325 HB3 CYS 45 1HB CYS 45 -3.151 -3.491 2.445 326 H ALA 46 H ALA 46 -3.020 -0.824 4.841 327 HA ALA 46 HA ALA 46 -3.709 0.933 6.284 328 HB1 ALA 46 1HB ALA 46 -6.485 0.577 6.217 329 HB2 ALA 46 2HB ALA 46 -5.915 -0.194 4.737 330 HB3 ALA 46 3HB ALA 46 -5.531 1.498 5.054 331 H GLY 47 H GLY 47 -3.052 -1.543 7.622 332 HA2 GLY 47 2HA GLY 47 -3.223 -2.408 9.803 333 HA3 GLY 47 1HA GLY 47 -4.341 -1.091 10.171 334 H ASN 48 H ASN 48 -5.826 -2.509 11.249 335 HA ASN 48 HA ASN 48 -6.972 -4.766 9.768 336 HB2 ASN 48 2HB ASN 48 -8.102 -5.186 11.862 337 HB3 ASN 48 1HB ASN 48 -6.455 -4.689 12.250 338 HD21 ASN 48 1HD2 ASN 48 -6.269 -2.970 13.702 339 HD22 ASN 48 2HD2 ASN 48 -7.518 -1.889 14.090 340 H ARG 49 H ARG 49 -7.337 -1.979 8.724 341 HA ARG 49 HA ARG 49 -10.299 -1.707 9.016 342 HB2 ARG 49 2HB ARG 49 -8.060 0.229 8.375 343 HB3 ARG 49 1HB ARG 49 -9.764 0.658 8.296 344 HG2 ARG 49 2HG ARG 49 -9.371 -0.631 10.789 345 HG3 ARG 49 1HG ARG 49 -8.056 0.531 10.606 346 HD2 ARG 49 2HD ARG 49 -9.462 2.325 10.779 347 HD3 ARG 49 1HD ARG 49 -10.725 1.545 9.806 348 HE ARG 49 HE ARG 49 -10.523 0.101 12.235 349 HH11 ARG 49 1HH2 ARG 49 -11.964 2.808 10.746 350 HH12 ARG 49 2HH2 ARG 49 -12.838 3.309 12.155 351 HH21 ARG 49 1HH1 ARG 49 -11.398 0.922 14.219 352 HH22 ARG 49 2HH1 ARG 49 -12.517 2.241 14.123 353 H GLY 50 H GLY 50 -7.621 -2.000 6.723 354 HA2 GLY 50 2HA GLY 50 -9.655 -2.058 4.524 355 HA3 GLY 50 1HA GLY 50 -8.020 -1.439 4.293 356 H TRP 51 H TRP 51 -9.045 -3.507 2.699 357 HA TRP 51 HA TRP 51 -7.233 -5.754 3.485 358 HB2 TRP 51 2HB TRP 51 -10.165 -5.675 3.172 359 HB3 TRP 51 1HB TRP 51 -9.391 -6.982 2.281 360 HD1 TRP 51 HD TRP 51 -10.738 -6.231 5.570 361 HE1 TRP 51 1HE TRP 51 -9.875 -7.890 7.344 362 HE3 TRP 51 3HE TRP 51 -6.883 -8.362 2.984 363 HZ2 TRP 51 2HZ TRP 51 -7.822 -9.862 7.629 364 HZ3 TRP 51 3HZ TRP 51 -5.492 -10.124 4.030 365 HH2 TRP 51 HH TRP 51 -5.955 -10.877 6.346 366 H CYS 52 H CYS 52 -6.811 -7.178 1.482 367 HA CYS 52 HA CYS 52 -6.714 -5.416 -0.937 368 HB2 CYS 52 2HB CYS 52 -4.657 -6.421 0.297 369 HB3 CYS 52 1HB CYS 52 -5.143 -7.943 -0.450 370 H ARG 53 H ARG 53 -8.447 -5.898 -2.247 371 HA ARG 53 HA ARG 53 -8.913 -8.790 -2.914 372 HB2 ARG 53 2HB ARG 53 -11.114 -6.743 -2.977 373 HB3 ARG 53 1HB ARG 53 -11.227 -8.474 -2.710 374 HG2 ARG 53 2HG ARG 53 -11.388 -8.019 -0.511 375 HG3 ARG 53 1HG ARG 53 -9.690 -7.541 -0.564 376 HD2 ARG 53 2HD ARG 53 -10.437 -5.245 -1.281 377 HD3 ARG 53 1HD ARG 53 -12.106 -5.749 -0.964 378 HE ARG 53 HE ARG 53 -9.992 -5.403 1.080 379 HH11 ARG 53 1HH2 ARG 53 -11.810 -7.897 1.371 380 HH12 ARG 53 2HH2 ARG 53 -13.005 -7.280 2.462 381 HH21 ARG 53 1HH1 ARG 53 -12.110 -3.964 1.990 382 HH22 ARG 53 2HH1 ARG 53 -13.174 -5.055 2.813 383 H SER 54 H SER 54 -9.750 -9.059 -5.163 384 HA SER 54 HA SER 54 -8.410 -7.593 -7.148 385 HB2 SER 54 2HB SER 54 -9.593 -8.999 -8.522 386 HB3 SER 54 1HB SER 54 -10.129 -9.729 -7.012 387 HG SER 54 HG SER 54 -11.431 -7.861 -8.674 388 H LYS 55 H LYS 55 -11.710 -7.151 -5.930 389 HA LYS 55 HA LYS 55 -11.665 -4.337 -6.935 390 HB2 LYS 55 2HB LYS 55 -13.613 -6.581 -7.115 391 HB3 LYS 55 1HB LYS 55 -14.292 -4.972 -6.839 392 HG2 LYS 55 2HG LYS 55 -12.212 -4.748 -8.740 393 HG3 LYS 55 1HG LYS 55 -13.276 -6.050 -9.271 394 HD2 LYS 55 2HD LYS 55 -15.080 -4.147 -8.448 395 HD3 LYS 55 1HD LYS 55 -13.787 -3.148 -9.114 396 HE2 LYS 55 2HE LYS 55 -13.886 -4.900 -11.106 397 HE3 LYS 55 1HE LYS 55 -15.539 -5.145 -10.506 398 HZ1 LYS 55 3HZ LYS 55 -15.389 -3.306 -12.119 399 HZ2 LYS 55 1HZ LYS 55 -14.320 -2.496 -11.081 400 HZ3 LYS 55 2HZ LYS 55 -15.922 -2.785 -10.593 401 H CYS 56 H CYS 56 -13.811 -3.326 -5.739 402 HA CYS 56 HA CYS 56 -13.534 -3.923 -2.808 403 HB2 CYS 56 2HB CYS 56 -13.796 -1.159 -4.010 404 HB3 CYS 56 1HB CYS 56 -13.329 -1.579 -2.366 405 H PHE 57 H PHE 57 -15.442 -3.064 -1.552 406 HA PHE 57 HA PHE 57 -17.938 -3.690 -2.938 407 HB2 PHE 57 2HB PHE 57 -17.533 -2.544 -0.167 408 HB3 PHE 57 1HB PHE 57 -18.845 -3.577 -0.726 409 HD1 PHE 57 1HD PHE 57 -16.961 -5.410 -2.412 410 HD2 PHE 57 2HD PHE 57 -16.871 -4.027 1.655 411 HE1 PHE 57 1HE PHE 57 -15.661 -7.418 -1.757 412 HE2 PHE 57 2HE PHE 57 -15.571 -6.036 2.308 413 HZ PHE 57 HZ PHE 57 -14.966 -7.731 0.603 414 H ARG 58 H ARG 58 -19.819 -2.150 -2.802 415 HA ARG 58 HA ARG 58 -19.219 0.389 -3.958 416 HB2 ARG 58 2HB ARG 58 -21.348 -1.153 -3.924 417 HB3 ARG 58 1HB ARG 58 -21.766 -0.226 -2.484 418 HG2 ARG 58 2HG ARG 58 -21.118 1.820 -4.082 419 HG3 ARG 58 1HG ARG 58 -21.596 0.664 -5.326 420 HD2 ARG 58 2HD ARG 58 -23.800 0.449 -4.426 421 HD3 ARG 58 1HD ARG 58 -23.337 1.260 -2.916 422 HE ARG 58 HE ARG 58 -22.777 2.965 -5.168 423 HH11 ARG 58 1HH2 ARG 58 -25.073 1.982 -2.819 424 HH12 ARG 58 2HH2 ARG 58 -26.239 3.191 -3.245 425 HH21 ARG 58 1HH1 ARG 58 -24.387 4.417 -5.907 426 HH22 ARG 58 2HH1 ARG 58 -25.850 4.570 -4.993 427 H HIS 59 H HIS 59 -20.203 -0.518 -0.656 428 HA HIS 59 HA HIS 59 -20.212 2.165 0.394 429 HB2 HIS 59 2HB HIS 59 -20.591 -0.571 1.248 430 HB3 HIS 59 1HB HIS 59 -19.604 0.291 2.428 431 HD1 HIS 59 1HD HIS 59 -20.816 1.843 3.985 432 HD2 HIS 59 2HD HIS 59 -23.132 0.857 0.662 433 HE1 HIS 59 1HE HIS 59 -23.108 2.844 4.388 434 H GLU 60 H GLU 60 -17.658 0.271 -0.728 435 HA GLU 60 HA GLU 60 -15.700 1.704 1.038 436 HB2 GLU 60 2HB GLU 60 -15.899 -1.087 -0.059 437 HB3 GLU 60 1HB GLU 60 -14.312 -0.413 0.300 438 HG2 GLU 60 2HG GLU 60 -15.349 0.228 2.597 439 HG3 GLU 60 1HG GLU 60 -16.596 -0.950 2.186 440 H TYR 61 H TYR 61 -13.422 1.560 -0.235 441 HA TYR 61 HA TYR 61 -13.857 2.133 -3.135 442 HB2 TYR 61 2HB TYR 61 -12.554 4.197 -2.897 443 HB3 TYR 61 1HB TYR 61 -13.932 4.239 -1.801 444 HD1 TYR 61 1HD TYR 61 -13.476 3.219 0.609 445 HD2 TYR 61 2HD TYR 61 -10.435 4.690 -2.046 446 HE1 TYR 61 1HE TYR 61 -11.944 3.521 2.533 447 HE2 TYR 61 2HE TYR 61 -8.904 4.993 -0.120 448 HH TYR 61 HH TYR 61 -8.574 4.488 2.063 449 H VAL 62 H VAL 62 -11.251 2.912 -3.710 450 HA VAL 62 HA VAL 62 -9.715 0.421 -3.053 451 HB VAL 62 HB VAL 62 -9.722 2.324 -5.414 452 HG11 VAL 62 1HG1 VAL 62 -7.803 0.177 -4.581 453 HG12 VAL 62 2HG1 VAL 62 -7.480 1.721 -5.372 454 HG13 VAL 62 3HG1 VAL 62 -8.155 0.380 -6.297 455 HG21 VAL 62 3HG2 VAL 62 -11.466 0.363 -4.952 456 HG22 VAL 62 1HG2 VAL 62 -10.151 -0.632 -5.579 457 HG23 VAL 62 2HG2 VAL 62 -10.834 0.656 -6.572 458 H ASP 63 H ASP 63 -8.764 1.353 -1.099 459 HA ASP 63 HA ASP 63 -7.578 3.786 -0.624 460 HB2 ASP 63 2HB ASP 63 -7.635 1.603 0.753 461 HB3 ASP 63 1HB ASP 63 -6.138 1.185 -0.076 462 H THR 64 H THR 64 -6.776 4.742 -2.578 463 HA THR 64 HA THR 64 -4.946 3.602 -4.411 464 HB THR 64 HB THR 64 -4.326 6.181 -4.566 465 HG1 THR 64 1HG THR 64 -5.234 7.256 -3.028 466 HG21 THR 64 3HG2 THR 64 -5.766 6.034 -6.284 467 HG22 THR 64 1HG2 THR 64 -7.139 6.046 -5.177 468 HG23 THR 64 2HG2 THR 64 -6.363 4.520 -5.604 469 H TYR 65 H TYR 65 -4.385 5.054 -1.245 470 HA TYR 65 HA TYR 65 -1.540 5.400 -1.481 471 HB2 TYR 65 2HB TYR 65 -3.312 6.289 0.212 472 HB3 TYR 65 1HB TYR 65 -3.021 4.774 1.067 473 HD1 TYR 65 2HD TYR 65 -1.521 7.959 -0.042 474 HD2 TYR 65 1HD TYR 65 -0.887 4.307 2.130 475 HE1 TYR 65 2HE TYR 65 0.554 8.900 0.935 476 HE2 TYR 65 1HE TYR 65 1.189 5.247 3.105 477 HH TYR 65 HH TYR 65 2.867 7.025 2.492 478 H TYR 66 H TYR 66 -3.488 2.774 -0.009 479 HA TYR 66 HA TYR 66 -1.086 1.156 0.473 480 HB2 TYR 66 2HB TYR 66 -4.033 1.005 0.979 481 HB3 TYR 66 1HB TYR 66 -3.082 -0.478 1.091 482 HD1 TYR 66 1HD TYR 66 -3.616 2.887 2.497 483 HD2 TYR 66 2HD TYR 66 -1.367 -0.760 2.796 484 HE1 TYR 66 1HE TYR 66 -2.776 3.587 4.722 485 HE2 TYR 66 2HE TYR 66 -0.527 -0.061 5.020 486 HH TYR 66 HH TYR 66 -0.903 3.128 6.209 487 H SER 67 H SER 67 -3.110 1.659 -2.215 488 HA SER 67 HA SER 67 -3.508 -0.830 -3.413 489 HB2 SER 67 2HB SER 67 -2.918 1.945 -4.280 490 HB3 SER 67 1HB SER 67 -2.652 0.703 -5.501 491 HG SER 67 HG SER 67 -4.764 1.154 -5.689 492 H ALA 68 H ALA 68 -0.495 0.807 -2.739 493 HA ALA 68 HA ALA 68 1.215 -0.601 -4.569 494 HB1 ALA 68 1HB ALA 68 2.747 0.077 -2.374 495 HB2 ALA 68 2HB ALA 68 1.378 1.181 -2.234 496 HB3 ALA 68 3HB ALA 68 2.354 1.168 -3.704 497 H VAL 69 H VAL 69 1.248 -1.014 -1.001 498 HA VAL 69 HA VAL 69 2.564 -3.442 -0.864 499 HB VAL 69 HB VAL 69 1.681 -1.971 1.008 500 HG11 VAL 69 1HG1 VAL 69 -0.604 -1.695 0.548 501 HG12 VAL 69 2HG1 VAL 69 -0.583 -2.830 1.897 502 HG13 VAL 69 3HG1 VAL 69 -0.842 -3.417 0.255 503 HG21 VAL 69 3HG2 VAL 69 1.744 -4.914 0.937 504 HG22 VAL 69 1HG2 VAL 69 0.932 -4.216 2.333 505 HG23 VAL 69 2HG2 VAL 69 2.612 -3.800 1.989 506 H CYS 70 H CYS 70 -0.758 -2.887 -1.875 507 HA CYS 70 HA CYS 70 -1.741 -5.564 -1.725 508 HB2 CYS 70 2HB CYS 70 -2.420 -2.989 -2.916 509 HB3 CYS 70 1HB CYS 70 -2.901 -4.330 -3.954 510 H GLY 71 H GLY 71 -0.686 -3.870 -4.709 511 HA2 GLY 71 2HA GLY 71 0.956 -4.801 -6.253 512 HA3 GLY 71 1HA GLY 71 0.628 -6.398 -5.581 513 H ARG 72 H ARG 72 -0.611 -7.679 -6.853 514 HA ARG 72 HA ARG 72 -1.795 -6.825 -9.301 515 HB2 ARG 72 2HB ARG 72 -1.643 -9.210 -7.585 516 HB3 ARG 72 1HB ARG 72 -3.119 -9.136 -8.548 517 HG2 ARG 72 2HG ARG 72 -1.686 -8.677 -10.570 518 HG3 ARG 72 1HG ARG 72 -0.270 -8.993 -9.566 519 HD2 ARG 72 2HD ARG 72 -1.686 -11.216 -8.989 520 HD3 ARG 72 1HD ARG 72 -2.292 -10.906 -10.629 521 HE ARG 72 HE ARG 72 0.234 -10.658 -11.217 522 HH11 ARG 72 1HH2 ARG 72 -1.090 -13.469 -10.708 523 HH12 ARG 72 2HH2 ARG 72 0.220 -14.252 -9.889 524 HH21 ARG 72 1HH1 ARG 72 1.962 -11.312 -9.301 525 HH22 ARG 72 2HH1 ARG 72 1.947 -13.032 -9.094 526 H TYR 73 H TYR 73 -3.347 -7.642 -6.175 527 HA TYR 73 HA TYR 73 -5.964 -6.676 -7.070 528 HB2 TYR 73 2HB TYR 73 -4.893 -7.397 -4.320 529 HB3 TYR 73 1HB TYR 73 -6.593 -7.278 -4.769 530 HD1 TYR 73 2HD TYR 73 -5.637 -8.486 -7.681 531 HD2 TYR 73 1HD TYR 73 -5.525 -9.758 -3.579 532 HE1 TYR 73 2HE TYR 73 -5.609 -10.853 -8.415 533 HE2 TYR 73 1HE TYR 73 -5.497 -12.124 -4.313 534 HH TYR 73 HH TYR 73 -6.139 -13.452 -6.261 535 H PHE 74 H PHE 74 -7.010 -5.146 -5.176 536 HA PHE 74 HA PHE 74 -5.159 -2.799 -4.883 537 HB2 PHE 74 2HB PHE 74 -8.166 -2.695 -5.194 538 HB3 PHE 74 1HB PHE 74 -7.003 -1.394 -5.442 539 HD1 PHE 74 2HD PHE 74 -4.916 -2.671 -7.056 540 HD2 PHE 74 1HD PHE 74 -9.186 -3.068 -7.265 541 HE1 PHE 74 2HE PHE 74 -4.743 -3.294 -9.452 542 HE2 PHE 74 1HE PHE 74 -9.016 -3.691 -9.659 543 HZ PHE 74 HZ PHE 74 -6.792 -3.804 -10.753 544 H CYS 75 H CYS 75 -5.246 -1.737 -2.866 545 HA CYS 75 HA CYS 75 -6.377 -3.283 -0.643 546 HB2 CYS 75 2HB CYS 75 -4.227 -2.296 -0.321 547 HB3 CYS 75 1HB CYS 75 -4.763 -0.744 -0.966 548 H CYS 76 H CYS 76 -8.670 -3.089 -0.784 549 HA CYS 76 HA CYS 76 -9.928 -0.484 -1.211 550 HB2 CYS 76 2HB CYS 76 -11.127 -3.068 -0.185 551 HB3 CYS 76 1HB CYS 76 -11.961 -1.770 -1.035 552 H ARG 77 H ARG 77 -11.447 0.417 0.449 553 HA ARG 77 HA ARG 77 -10.830 -0.283 3.271 554 HB2 ARG 77 2HB ARG 77 -9.833 2.029 1.730 555 HB3 ARG 77 1HB ARG 77 -10.534 2.448 3.291 556 HG2 ARG 77 2HG ARG 77 -9.022 0.245 3.929 557 HG3 ARG 77 1HG ARG 77 -8.039 1.012 2.682 558 HD2 ARG 77 2HD ARG 77 -7.507 1.867 4.981 559 HD3 ARG 77 1HD ARG 77 -8.108 3.148 3.913 560 HE ARG 77 HE ARG 77 -10.357 1.950 5.163 561 HH11 ARG 77 1HH2 ARG 77 -7.524 2.842 6.715 562 HH12 ARG 77 2HH2 ARG 77 -8.250 4.038 7.738 563 HH21 ARG 77 1HH1 ARG 77 -11.328 3.912 6.148 564 HH22 ARG 77 2HH1 ARG 77 -10.403 4.643 7.417 565 H SER 78 H SER 78 -12.099 1.477 4.687 566 HA SER 78 HA SER 78 -14.816 1.796 3.454 567 HB2 SER 78 2HB SER 78 -15.685 1.301 5.639 568 HB3 SER 78 1HB SER 78 -14.415 0.117 5.339 569 HG SER 78 HG SER 78 -14.529 1.523 7.412 570 H ARG 79 H ARG 79 -14.259 3.975 2.710 571 HA ARG 79 HA ARG 79 -13.138 6.059 4.230 572 HB2 ARG 79 2HB ARG 79 -14.132 5.755 1.743 573 HB3 ARG 79 1HB ARG 79 -15.470 6.646 2.468 574 HG2 ARG 79 2HG ARG 79 -14.177 8.438 1.826 575 HG3 ARG 79 1HG ARG 79 -13.447 8.136 3.404 576 HD2 ARG 79 2HD ARG 79 -11.483 7.982 2.249 577 HD3 ARG 79 1HD ARG 79 -12.070 6.384 1.748 578 HE ARG 79 HE ARG 79 -13.327 8.001 -0.047 579 HH11 ARG 79 1HH2 ARG 79 -10.724 9.599 0.995 580 HH12 ARG 79 2HH2 ARG 79 -9.751 9.425 -0.427 581 HH21 ARG 79 1HH1 ARG 79 -11.796 7.020 -1.857 582 HH22 ARG 79 2HH1 ARG 79 -10.357 7.966 -2.041 Start of MODEL 20 1 H1 ASN 1 1HT ASN 1 17.889 9.065 -8.520 2 H2 ASN 1 2HT ASN 1 16.727 8.657 -9.690 3 H3 ASN 1 3HT ASN 1 16.646 7.979 -8.136 4 HA ASN 1 HA ASN 1 16.617 10.662 -7.631 5 HB2 ASN 1 2HB ASN 1 16.010 10.199 -10.360 6 HB3 ASN 1 1HB ASN 1 14.474 10.563 -9.572 7 HD21 ASN 1 1HD2 ASN 1 15.681 12.409 -11.405 8 HD22 ASN 1 2HD2 ASN 1 16.157 13.788 -10.538 9 HA PRO 2 HA PRO 2 12.313 8.745 -6.888 10 HB2 PRO 2 2HB PRO 2 11.712 6.370 -8.102 11 HB3 PRO 2 1HB PRO 2 11.416 7.945 -8.864 12 HG2 PRO 2 2HG PRO 2 13.599 5.991 -9.342 13 HG3 PRO 2 1HG PRO 2 12.765 7.057 -10.481 14 HD2 PRO 2 2HD PRO 2 15.266 7.537 -9.439 15 HD3 PRO 2 1HD PRO 2 14.188 8.790 -10.088 16 H LEU 3 H LEU 3 11.944 7.545 -5.007 17 HA LEU 3 HA LEU 3 13.822 5.275 -4.438 18 HB2 LEU 3 2HB LEU 3 13.620 7.856 -3.239 19 HB3 LEU 3 1HB LEU 3 13.043 6.680 -2.057 20 HG LEU 3 HG LEU 3 15.473 5.858 -3.516 21 HD11 LEU 3 1HD1 LEU 3 15.377 8.334 -1.800 22 HD12 LEU 3 2HD1 LEU 3 16.202 8.091 -3.339 23 HD13 LEU 3 3HD1 LEU 3 16.835 7.343 -1.872 24 HD21 LEU 3 3HD2 LEU 3 14.861 4.472 -1.724 25 HD22 LEU 3 1HD2 LEU 3 14.392 5.834 -0.706 26 HD23 LEU 3 2HD2 LEU 3 16.098 5.496 -0.997 27 H ILE 4 H ILE 4 12.807 4.419 -2.056 28 HA ILE 4 HA ILE 4 10.437 2.989 -2.763 29 HB ILE 4 HB ILE 4 12.013 3.559 -0.265 30 HG12 ILE 4 2HG1 ILE 4 12.668 1.864 -2.048 31 HG13 ILE 4 1HG1 ILE 4 12.530 1.218 -0.412 32 HG21 ILE 4 1HG2 ILE 4 10.213 1.563 0.461 33 HG22 ILE 4 2HG2 ILE 4 9.198 2.751 -0.356 34 HG23 ILE 4 3HG2 ILE 4 10.180 3.234 1.026 35 HD11 ILE 4 3HD1 ILE 4 10.147 1.178 -2.244 36 HD12 ILE 4 1HD1 ILE 4 10.508 0.133 -0.870 37 HD13 ILE 4 2HD1 ILE 4 11.386 -0.067 -2.387 38 HA PRO 5 HA PRO 5 7.341 6.013 -1.900 39 HB2 PRO 5 2HB PRO 5 5.216 4.314 -1.595 40 HB3 PRO 5 1HB PRO 5 5.919 4.697 -3.179 41 HG2 PRO 5 2HG PRO 5 6.312 2.299 -1.466 42 HG3 PRO 5 1HG PRO 5 6.154 2.415 -3.225 43 HD2 PRO 5 2HD PRO 5 8.542 2.096 -1.955 44 HD3 PRO 5 1HD PRO 5 8.369 2.915 -3.523 45 H ALA 6 H ALA 6 5.162 5.489 -0.159 46 HA ALA 6 HA ALA 6 6.551 5.243 2.456 47 HB1 ALA 6 1HB ALA 6 3.942 6.543 2.449 48 HB2 ALA 6 2HB ALA 6 5.052 7.297 1.305 49 HB3 ALA 6 3HB ALA 6 5.493 7.169 3.007 50 H ILE 7 H ILE 7 3.785 4.238 0.539 51 HA ILE 7 HA ILE 7 2.134 3.033 2.456 52 HB ILE 7 HB ILE 7 1.339 3.101 0.254 53 HG12 ILE 7 2HG1 ILE 7 0.904 0.815 -0.401 54 HG13 ILE 7 1HG1 ILE 7 2.325 0.245 0.474 55 HG21 ILE 7 1HG2 ILE 7 4.099 2.685 -0.418 56 HG22 ILE 7 2HG2 ILE 7 2.788 3.226 -1.459 57 HG23 ILE 7 3HG2 ILE 7 3.123 1.505 -1.287 58 HD11 ILE 7 3HD1 ILE 7 0.005 1.658 1.812 59 HD12 ILE 7 1HD1 ILE 7 1.342 0.817 2.597 60 HD13 ILE 7 2HD1 ILE 7 0.136 -0.097 1.692 61 H TYR 8 H TYR 8 4.764 1.379 0.669 62 HA TYR 8 HA TYR 8 4.678 -1.119 1.891 63 HB2 TYR 8 2HB TYR 8 7.091 0.561 1.136 64 HB3 TYR 8 1HB TYR 8 7.094 -1.191 1.329 65 HD1 TYR 8 2HD TYR 8 4.223 -1.556 0.169 66 HD2 TYR 8 1HD TYR 8 7.713 0.528 -1.219 67 HE1 TYR 8 2HE TYR 8 3.442 -1.811 -2.167 68 HE2 TYR 8 1HE TYR 8 6.931 0.273 -3.558 69 HH TYR 8 HH TYR 8 4.665 -1.866 -4.515 70 H ILE 9 H ILE 9 5.854 1.914 3.243 71 HA ILE 9 HA ILE 9 7.242 0.766 5.502 72 HB ILE 9 HB ILE 9 5.888 3.463 5.141 73 HG12 ILE 9 2HG1 ILE 9 8.688 2.493 4.480 74 HG13 ILE 9 1HG1 ILE 9 7.467 3.044 3.332 75 HG21 ILE 9 1HG2 ILE 9 7.812 2.325 7.147 76 HG22 ILE 9 2HG2 ILE 9 6.425 3.382 7.408 77 HG23 ILE 9 3HG2 ILE 9 7.916 4.035 6.730 78 HD11 ILE 9 3HD1 ILE 9 8.318 4.872 5.556 79 HD12 ILE 9 1HD1 ILE 9 7.688 5.278 3.960 80 HD13 ILE 9 2HD1 ILE 9 9.347 4.704 4.135 81 H GLY 10 H GLY 10 6.358 -0.122 7.324 82 HA2 GLY 10 2HA GLY 10 4.737 -0.794 8.882 83 HA3 GLY 10 1HA GLY 10 3.970 0.772 8.595 84 H ALA 11 H ALA 11 4.594 -1.565 6.054 85 HA ALA 11 HA ALA 11 1.622 -1.991 5.820 86 HB1 ALA 11 1HB ALA 11 2.137 -0.672 3.984 87 HB2 ALA 11 2HB ALA 11 2.460 -2.263 3.297 88 HB3 ALA 11 3HB ALA 11 3.791 -1.272 3.890 89 H THR 12 H THR 12 1.717 -3.906 3.776 90 HA THR 12 HA THR 12 3.519 -6.092 4.663 91 HB THR 12 HB THR 12 0.520 -5.996 5.038 92 HG1 THR 12 1HG THR 12 1.209 -6.783 7.115 93 HG21 THR 12 3HG2 THR 12 0.673 -8.430 5.581 94 HG22 THR 12 1HG2 THR 12 2.326 -8.426 4.968 95 HG23 THR 12 2HG2 THR 12 0.982 -8.082 3.880 96 H VAL 13 H VAL 13 4.290 -6.323 2.514 97 HA VAL 13 HA VAL 13 2.303 -6.576 0.317 98 HB VAL 13 HB VAL 13 4.221 -6.305 -1.091 99 HG11 VAL 13 1HG1 VAL 13 4.656 -4.759 1.482 100 HG12 VAL 13 2HG1 VAL 13 3.666 -4.257 0.114 101 HG13 VAL 13 3HG1 VAL 13 5.417 -4.369 -0.059 102 HG21 VAL 13 3HG2 VAL 13 5.632 -8.031 -0.053 103 HG22 VAL 13 1HG2 VAL 13 5.881 -6.999 1.355 104 HG23 VAL 13 2HG2 VAL 13 6.535 -6.525 -0.212 105 H GLY 14 H GLY 14 2.881 -8.443 -1.296 106 HA2 GLY 14 2HA GLY 14 2.849 -10.952 0.244 107 HA3 GLY 14 1HA GLY 14 2.558 -10.796 -1.489 108 HA PRO 15 HA PRO 15 6.808 -12.463 -0.963 109 HB2 PRO 15 2HB PRO 15 6.538 -14.438 -2.837 110 HB3 PRO 15 1HB PRO 15 6.067 -14.648 -1.140 111 HG2 PRO 15 2HG PRO 15 4.372 -14.113 -3.521 112 HG3 PRO 15 1HG PRO 15 4.045 -15.121 -2.104 113 HD2 PRO 15 2HD PRO 15 3.013 -12.607 -2.478 114 HD3 PRO 15 1HD PRO 15 3.237 -13.369 -0.889 115 H SER 16 H SER 16 5.008 -12.269 -4.065 116 HA SER 16 HA SER 16 7.247 -11.732 -5.741 117 HB2 SER 16 2HB SER 16 4.481 -12.032 -5.940 118 HB3 SER 16 1HB SER 16 4.761 -10.382 -6.486 119 HG SER 16 HG SER 16 5.981 -12.765 -7.435 120 H VAL 17 H VAL 17 4.946 -9.438 -4.213 121 HA VAL 17 HA VAL 17 6.212 -7.047 -5.123 122 HB VAL 17 HB VAL 17 4.646 -7.619 -2.584 123 HG11 VAL 17 1HG1 VAL 17 5.259 -5.078 -4.112 124 HG12 VAL 17 2HG1 VAL 17 5.646 -5.441 -2.431 125 HG13 VAL 17 3HG1 VAL 17 3.969 -5.190 -2.915 126 HG21 VAL 17 3HG2 VAL 17 3.002 -6.404 -4.495 127 HG22 VAL 17 1HG2 VAL 17 2.964 -8.101 -4.016 128 HG23 VAL 17 2HG2 VAL 17 3.923 -7.600 -5.409 129 H TRP 18 H TRP 18 6.524 -8.758 -1.988 130 HA TRP 18 HA TRP 18 8.377 -7.175 -0.665 131 HB2 TRP 18 2HB TRP 18 7.426 -9.228 0.238 132 HB3 TRP 18 1HB TRP 18 8.254 -10.191 -0.979 133 HD1 TRP 18 HD TRP 18 10.780 -10.731 -0.628 134 HE1 TRP 18 1HE TRP 18 12.402 -10.397 1.348 135 HE3 TRP 18 3HE TRP 18 7.999 -7.581 2.275 136 HZ2 TRP 18 2HZ TRP 18 12.507 -8.980 3.830 137 HZ3 TRP 18 3HZ TRP 18 8.884 -6.755 4.436 138 HH2 TRP 18 HH TRP 18 11.132 -7.450 5.217 139 H ALA 19 H ALA 19 9.391 -9.981 -2.628 140 HA ALA 19 HA ALA 19 12.106 -9.525 -2.837 141 HB1 ALA 19 1HB ALA 19 11.827 -10.594 -5.133 142 HB2 ALA 19 2HB ALA 19 10.085 -10.445 -4.897 143 HB3 ALA 19 3HB ALA 19 11.040 -11.453 -3.809 144 H TYR 20 H TYR 20 9.583 -7.994 -4.836 145 HA TYR 20 HA TYR 20 11.245 -6.519 -6.593 146 HB2 TYR 20 2HB TYR 20 8.758 -6.830 -6.690 147 HB3 TYR 20 1HB TYR 20 8.601 -5.698 -5.347 148 HD1 TYR 20 1HD TYR 20 10.166 -5.969 -8.746 149 HD2 TYR 20 2HD TYR 20 8.371 -3.416 -5.794 150 HE1 TYR 20 1HE TYR 20 10.265 -4.064 -10.332 151 HE2 TYR 20 2HE TYR 20 8.470 -1.512 -7.380 152 HH TYR 20 HH TYR 20 9.341 -0.794 -9.335 153 H LEU 21 H LEU 21 9.588 -5.151 -3.723 154 HA LEU 21 HA LEU 21 10.868 -2.709 -3.517 155 HB2 LEU 21 2HB LEU 21 9.081 -3.905 -2.058 156 HB3 LEU 21 1HB LEU 21 10.453 -4.502 -1.124 157 HG LEU 21 HG LEU 21 9.781 -1.594 -1.663 158 HD11 LEU 21 1HD1 LEU 21 8.451 -1.933 0.142 159 HD12 LEU 21 2HD1 LEU 21 9.952 -2.003 1.064 160 HD13 LEU 21 3HD1 LEU 21 9.193 -3.492 0.502 161 HD21 LEU 21 3HD2 LEU 21 12.176 -2.979 -0.493 162 HD22 LEU 21 1HD2 LEU 21 11.699 -1.405 0.143 163 HD23 LEU 21 2HD2 LEU 21 12.113 -1.579 -1.562 164 H VAL 22 H VAL 22 12.144 -5.868 -2.476 165 HA VAL 22 HA VAL 22 14.474 -5.035 -1.122 166 HB VAL 22 HB VAL 22 14.202 -7.383 -3.017 167 HG11 VAL 22 1HG1 VAL 22 16.428 -6.820 -1.859 168 HG12 VAL 22 2HG1 VAL 22 15.803 -8.452 -1.622 169 HG13 VAL 22 3HG1 VAL 22 15.618 -7.243 -0.351 170 HG21 VAL 22 3HG2 VAL 22 12.676 -6.683 -0.638 171 HG22 VAL 22 1HG2 VAL 22 13.550 -8.199 -0.415 172 HG23 VAL 22 2HG2 VAL 22 12.430 -8.017 -1.766 173 H ALA 23 H ALA 23 14.212 -5.932 -4.570 174 HA ALA 23 HA ALA 23 16.804 -5.255 -5.407 175 HB1 ALA 23 1HB ALA 23 14.396 -4.595 -7.077 176 HB2 ALA 23 2HB ALA 23 14.668 -6.268 -6.587 177 HB3 ALA 23 3HB ALA 23 15.880 -5.422 -7.549 178 H LEU 24 H LEU 24 13.940 -3.135 -5.149 179 HA LEU 24 HA LEU 24 15.022 -0.759 -6.211 180 HB2 LEU 24 2HB LEU 24 12.664 -1.486 -5.272 181 HB3 LEU 24 1HB LEU 24 13.263 -0.771 -3.776 182 HG LEU 24 HG LEU 24 13.745 1.336 -4.981 183 HD11 LEU 24 1HD1 LEU 24 12.324 1.182 -7.334 184 HD12 LEU 24 2HD1 LEU 24 13.109 -0.396 -7.276 185 HD13 LEU 24 3HD1 LEU 24 14.080 1.075 -7.213 186 HD21 LEU 24 3HD2 LEU 24 11.607 1.278 -3.930 187 HD22 LEU 24 1HD2 LEU 24 10.951 0.189 -5.152 188 HD23 LEU 24 2HD2 LEU 24 11.299 1.868 -5.564 189 H VAL 25 H VAL 25 15.171 -2.005 -2.866 190 HA VAL 25 HA VAL 25 17.385 -0.050 -2.351 191 HB VAL 25 HB VAL 25 15.609 0.778 -1.074 192 HG11 VAL 25 1HG1 VAL 25 14.723 -2.063 -1.066 193 HG12 VAL 25 2HG1 VAL 25 13.784 -0.590 -1.308 194 HG13 VAL 25 3HG1 VAL 25 14.252 -1.080 0.321 195 HG21 VAL 25 3HG2 VAL 25 17.657 -0.503 0.296 196 HG22 VAL 25 1HG2 VAL 25 16.198 -1.068 1.111 197 HG23 VAL 25 2HG2 VAL 25 16.524 0.661 0.981 198 H GLY 26 H GLY 26 16.239 -2.510 -0.092 199 HA2 GLY 26 2HA GLY 26 17.983 -4.629 -0.765 200 HA3 GLY 26 1HA GLY 26 18.854 -3.563 0.339 201 H ALA 27 H ALA 27 18.275 -6.142 1.162 202 HA ALA 27 HA ALA 27 15.812 -6.513 2.532 203 HB1 ALA 27 1HB ALA 27 18.498 -7.671 2.386 204 HB2 ALA 27 2HB ALA 27 16.940 -8.481 2.551 205 HB3 ALA 27 3HB ALA 27 17.765 -7.859 3.980 206 H ALA 28 H ALA 28 18.565 -4.525 3.320 207 HA ALA 28 HA ALA 28 18.128 -4.390 6.170 208 HB1 ALA 28 1HB ALA 28 19.405 -2.055 5.352 209 HB2 ALA 28 2HB ALA 28 19.818 -3.214 4.089 210 HB3 ALA 28 3HB ALA 28 20.208 -3.569 5.772 211 H ALA 29 H ALA 29 17.615 -1.871 3.673 212 HA ALA 29 HA ALA 29 15.922 -0.246 5.322 213 HB1 ALA 29 1HB ALA 29 15.374 -0.075 2.469 214 HB2 ALA 29 2HB ALA 29 17.108 -0.196 2.770 215 HB3 ALA 29 3HB ALA 29 16.171 1.100 3.515 216 H VAL 30 H VAL 30 15.369 -3.173 3.571 217 HA VAL 30 HA VAL 30 12.501 -2.852 3.190 218 HB VAL 30 HB VAL 30 14.503 -5.113 3.086 219 HG11 VAL 30 1HG1 VAL 30 11.495 -5.213 2.847 220 HG12 VAL 30 2HG1 VAL 30 12.554 -6.259 3.793 221 HG13 VAL 30 3HG1 VAL 30 12.522 -6.395 2.035 222 HG21 VAL 30 3HG2 VAL 30 14.403 -4.824 0.793 223 HG22 VAL 30 1HG2 VAL 30 14.040 -3.174 1.301 224 HG23 VAL 30 2HG2 VAL 30 12.733 -4.261 0.833 225 H THR 31 H THR 31 14.614 -4.174 5.702 226 HA THR 31 HA THR 31 12.296 -5.223 7.234 227 HB THR 31 HB THR 31 15.230 -5.146 7.982 228 HG1 THR 31 1HG THR 31 15.226 -7.260 6.974 229 HG21 THR 31 3HG2 THR 31 12.832 -6.791 8.776 230 HG22 THR 31 1HG2 THR 31 13.934 -5.885 9.813 231 HG23 THR 31 2HG2 THR 31 14.475 -7.377 9.042 232 H ALA 32 H ALA 32 14.257 -2.389 7.023 233 HA ALA 32 HA ALA 32 13.753 -1.529 9.805 234 HB1 ALA 32 1HB ALA 32 15.062 -0.256 7.380 235 HB2 ALA 32 2HB ALA 32 15.886 -1.048 8.722 236 HB3 ALA 32 3HB ALA 32 15.035 0.474 8.985 237 H ALA 33 H ALA 33 12.387 -1.105 6.613 238 HA ALA 33 HA ALA 33 10.852 1.299 7.318 239 HB1 ALA 33 1HB ALA 33 9.819 0.113 4.998 240 HB2 ALA 33 2HB ALA 33 11.528 -0.324 4.994 241 HB3 ALA 33 3HB ALA 33 11.052 1.373 5.064 242 H ASN 34 H ASN 34 10.562 -1.695 8.474 243 HA ASN 34 HA ASN 34 8.776 -2.930 9.394 244 HB2 ASN 34 2HB ASN 34 8.311 -0.668 10.290 245 HB3 ASN 34 1HB ASN 34 7.361 -0.301 8.852 246 HD21 ASN 34 1HD2 ASN 34 5.866 -0.074 11.063 247 HD22 ASN 34 2HD2 ASN 34 4.881 -1.431 11.329 248 H ILE 35 H ILE 35 8.967 -4.131 7.238 249 HA ILE 35 HA ILE 35 6.410 -3.859 5.687 250 HB ILE 35 HB ILE 35 9.247 -4.503 4.829 251 HG12 ILE 35 2HG1 ILE 35 7.574 -2.526 3.398 252 HG13 ILE 35 1HG1 ILE 35 7.976 -2.093 5.060 253 HG21 ILE 35 1HG2 ILE 35 8.510 -5.483 2.917 254 HG22 ILE 35 2HG2 ILE 35 7.175 -4.345 2.744 255 HG23 ILE 35 3HG2 ILE 35 7.008 -5.744 3.803 256 HD11 ILE 35 3HD1 ILE 35 9.616 -1.559 2.987 257 HD12 ILE 35 1HD1 ILE 35 10.193 -3.175 3.396 258 HD13 ILE 35 2HD1 ILE 35 10.218 -1.895 4.610 259 H ARG 36 H ARG 36 5.167 -5.686 5.880 260 HA ARG 36 HA ARG 36 6.493 -8.201 6.813 261 HB2 ARG 36 2HB ARG 36 3.547 -7.513 6.796 262 HB3 ARG 36 1HB ARG 36 4.372 -8.716 7.786 263 HG2 ARG 36 2HG ARG 36 5.750 -6.551 8.563 264 HG3 ARG 36 1HG ARG 36 4.238 -5.757 8.119 265 HD2 ARG 36 2HD ARG 36 3.449 -8.044 9.555 266 HD3 ARG 36 1HD ARG 36 4.814 -7.366 10.465 267 HE ARG 36 HE ARG 36 3.553 -5.112 10.148 268 HH11 ARG 36 1HH1 ARG 36 2.456 -7.962 11.517 269 HH12 ARG 36 2HH1 ARG 36 0.794 -7.484 11.626 270 HH21 ARG 36 1HH2 ARG 36 1.234 -4.584 9.775 271 HH22 ARG 36 2HH2 ARG 36 0.103 -5.571 10.640 272 H ARG 37 H ARG 37 6.132 -10.140 5.669 273 HA ARG 37 HA ARG 37 5.285 -9.825 2.853 274 HB2 ARG 37 2HB ARG 37 6.649 -11.920 4.544 275 HB3 ARG 37 1HB ARG 37 6.084 -12.307 2.918 276 HG2 ARG 37 2HG ARG 37 7.374 -10.267 2.112 277 HG3 ARG 37 1HG ARG 37 8.103 -10.199 3.716 278 HD2 ARG 37 2HD ARG 37 9.625 -11.472 2.355 279 HD3 ARG 37 1HD ARG 37 8.760 -12.665 3.345 280 HE ARG 37 HE ARG 37 7.625 -11.982 0.684 281 HH11 ARG 37 1HH1 ARG 37 9.960 -13.666 0.178 282 HH12 ARG 37 2HH1 ARG 37 9.343 -15.275 0.354 283 HH21 ARG 37 1HH2 ARG 37 6.489 -14.282 2.053 284 HH22 ARG 37 2HH2 ARG 37 7.377 -15.624 1.414 285 H ALA 38 H ALA 38 3.618 -11.194 1.927 286 HA ALA 38 HA ALA 38 1.717 -12.347 3.942 287 HB1 ALA 38 1HB ALA 38 0.009 -11.538 2.130 288 HB2 ALA 38 2HB ALA 38 1.340 -10.522 1.577 289 HB3 ALA 38 3HB ALA 38 0.719 -10.346 3.217 290 H SER 39 H SER 39 0.320 -14.071 3.024 291 HA SER 39 HA SER 39 1.680 -16.128 1.689 292 HB2 SER 39 2HB SER 39 -0.958 -15.494 2.621 293 HB3 SER 39 1HB SER 39 -1.095 -16.250 1.036 294 HG SER 39 HG SER 39 0.259 -17.930 1.840 295 H SER 40 H SER 40 0.042 -13.335 0.330 296 HA SER 40 HA SER 40 1.204 -13.858 -2.303 297 HB2 SER 40 2HB SER 40 -1.811 -13.870 -2.064 298 HB3 SER 40 1HB SER 40 -0.832 -14.340 -3.450 299 HG SER 40 HG SER 40 -1.673 -16.110 -2.163 300 H ASP 41 H ASP 41 -0.012 -12.164 -3.909 301 HA ASP 41 HA ASP 41 0.581 -9.550 -3.006 302 HB2 ASP 41 2HB ASP 41 -1.031 -10.792 -5.215 303 HB3 ASP 41 1HB ASP 41 -1.084 -9.040 -5.003 304 H ASN 42 H ASN 42 -2.303 -11.487 -2.583 305 HA ASN 42 HA ASN 42 -3.984 -9.195 -1.796 306 HB2 ASN 42 2HB ASN 42 -4.362 -11.742 -2.836 307 HB3 ASN 42 1HB ASN 42 -4.889 -11.912 -1.162 308 HD21 ASN 42 1HD2 ASN 42 -7.172 -11.959 -1.621 309 HD22 ASN 42 2HD2 ASN 42 -8.003 -10.615 -2.241 310 H HIS 43 H HIS 43 -3.515 -8.319 0.220 311 HA HIS 43 HA HIS 43 -3.464 -10.172 2.539 312 HB2 HIS 43 2HB HIS 43 -1.438 -8.715 3.333 313 HB3 HIS 43 1HB HIS 43 -1.155 -10.020 2.188 314 HD1 HIS 43 1HD HIS 43 -1.357 -6.256 2.402 315 HD2 HIS 43 2HD HIS 43 -0.372 -9.186 -0.394 316 HE1 HIS 43 1HE HIS 43 -0.209 -5.053 0.479 317 H SER 44 H SER 44 -3.360 -8.738 4.625 318 HA SER 44 HA SER 44 -5.528 -6.793 4.439 319 HB2 SER 44 2HB SER 44 -5.618 -7.141 6.703 320 HB3 SER 44 1HB SER 44 -4.586 -8.516 6.323 321 HG SER 44 HG SER 44 -3.125 -7.569 7.480 322 H CYS 45 H CYS 45 -5.314 -4.552 4.484 323 HA CYS 45 HA CYS 45 -2.545 -3.457 4.818 324 HB2 CYS 45 2HB CYS 45 -3.237 -1.851 2.959 325 HB3 CYS 45 1HB CYS 45 -2.981 -3.519 2.471 326 H ALA 46 H ALA 46 -2.802 -0.914 4.937 327 HA ALA 46 HA ALA 46 -3.491 0.848 6.368 328 HB1 ALA 46 1HB ALA 46 -6.177 -0.378 5.654 329 HB2 ALA 46 2HB ALA 46 -5.264 0.699 4.598 330 HB3 ALA 46 3HB ALA 46 -5.888 1.295 6.136 331 H GLY 47 H GLY 47 -2.856 -1.703 7.657 332 HA2 GLY 47 2HA GLY 47 -2.993 -2.589 9.831 333 HA3 GLY 47 1HA GLY 47 -4.025 -1.221 10.255 334 H ASN 48 H ASN 48 -5.585 -2.505 11.356 335 HA ASN 48 HA ASN 48 -6.872 -4.733 9.948 336 HB2 ASN 48 2HB ASN 48 -8.107 -4.912 12.086 337 HB3 ASN 48 1HB ASN 48 -6.371 -4.781 12.371 338 HD21 ASN 48 1HD2 ASN 48 -5.598 -2.921 13.495 339 HD22 ASN 48 2HD2 ASN 48 -6.620 -1.701 14.081 340 H ARG 49 H ARG 49 -7.104 -1.966 8.831 341 HA ARG 49 HA ARG 49 -10.043 -1.528 9.160 342 HB2 ARG 49 2HB ARG 49 -7.653 0.224 8.642 343 HB3 ARG 49 1HB ARG 49 -9.266 0.776 8.195 344 HG2 ARG 49 2HG ARG 49 -9.506 -0.299 10.793 345 HG3 ARG 49 1HG ARG 49 -8.048 0.692 10.809 346 HD2 ARG 49 2HD ARG 49 -10.625 1.722 9.604 347 HD3 ARG 49 1HD ARG 49 -10.257 1.918 11.329 348 HE ARG 49 HE ARG 49 -7.929 2.737 10.079 349 HH11 ARG 49 1HH1 ARG 49 -10.638 3.315 8.324 350 HH12 ARG 49 2HH1 ARG 49 -10.636 5.038 8.490 351 HH21 ARG 49 1HH2 ARG 49 -8.186 5.068 10.943 352 HH22 ARG 49 2HH2 ARG 49 -9.249 6.031 9.972 353 H GLY 50 H GLY 50 -7.413 -1.921 6.808 354 HA2 GLY 50 2HA GLY 50 -9.515 -2.054 4.679 355 HA3 GLY 50 1HA GLY 50 -7.920 -1.368 4.380 356 H TRP 51 H TRP 51 -8.829 -3.442 2.799 357 HA TRP 51 HA TRP 51 -6.913 -5.617 3.509 358 HB2 TRP 51 2HB TRP 51 -9.847 -5.684 3.465 359 HB3 TRP 51 1HB TRP 51 -9.126 -6.926 2.445 360 HD1 TRP 51 HD TRP 51 -10.031 -6.236 5.932 361 HE1 TRP 51 1HE TRP 51 -8.965 -7.965 7.520 362 HE3 TRP 51 3HE TRP 51 -6.658 -8.392 2.762 363 HZ2 TRP 51 2HZ TRP 51 -6.949 -9.993 7.454 364 HZ3 TRP 51 3HZ TRP 51 -5.179 -10.210 3.548 365 HH2 TRP 51 HH TRP 51 -5.319 -11.018 5.887 366 H CYS 52 H CYS 52 -6.628 -7.084 1.478 367 HA CYS 52 HA CYS 52 -6.763 -5.345 -0.955 368 HB2 CYS 52 2HB CYS 52 -4.585 -6.259 0.142 369 HB3 CYS 52 1HB CYS 52 -5.064 -7.800 -0.570 370 H ARG 53 H ARG 53 -8.467 -5.926 -2.240 371 HA ARG 53 HA ARG 53 -8.910 -8.847 -2.762 372 HB2 ARG 53 2HB ARG 53 -11.136 -6.812 -2.716 373 HB3 ARG 53 1HB ARG 53 -11.241 -8.552 -2.505 374 HG2 ARG 53 2HG ARG 53 -11.291 -8.174 -0.288 375 HG3 ARG 53 1HG ARG 53 -9.596 -7.705 -0.411 376 HD2 ARG 53 2HD ARG 53 -10.379 -5.375 -1.016 377 HD3 ARG 53 1HD ARG 53 -12.019 -5.892 -0.586 378 HE ARG 53 HE ARG 53 -9.847 -5.409 1.300 379 HH11 ARG 53 1HH2 ARG 53 -10.513 -8.204 1.919 380 HH12 ARG 53 2HH2 ARG 53 -11.856 -8.060 3.003 381 HH21 ARG 53 1HH1 ARG 53 -12.535 -4.770 2.144 382 HH22 ARG 53 2HH1 ARG 53 -13.001 -6.115 3.131 383 H SER 54 H SER 54 -9.917 -9.192 -4.950 384 HA SER 54 HA SER 54 -8.694 -7.779 -7.053 385 HB2 SER 54 2HB SER 54 -9.844 -9.350 -8.235 386 HB3 SER 54 1HB SER 54 -10.505 -9.886 -6.694 387 HG SER 54 HG SER 54 -11.683 -8.506 -8.741 388 H LYS 55 H LYS 55 -11.954 -7.367 -5.724 389 HA LYS 55 HA LYS 55 -11.977 -4.563 -6.748 390 HB2 LYS 55 2HB LYS 55 -13.889 -6.837 -6.883 391 HB3 LYS 55 1HB LYS 55 -14.589 -5.236 -6.606 392 HG2 LYS 55 2HG LYS 55 -12.546 -4.979 -8.537 393 HG3 LYS 55 1HG LYS 55 -13.577 -6.316 -9.047 394 HD2 LYS 55 2HD LYS 55 -15.562 -4.896 -8.856 395 HD3 LYS 55 1HD LYS 55 -14.579 -3.563 -8.248 396 HE2 LYS 55 2HE LYS 55 -13.248 -4.100 -10.556 397 HE3 LYS 55 1HE LYS 55 -14.900 -4.546 -11.031 398 HZ1 LYS 55 3HZ LYS 55 -15.713 -2.462 -10.489 399 HZ2 LYS 55 1HZ LYS 55 -14.213 -2.083 -11.181 400 HZ3 LYS 55 2HZ LYS 55 -14.392 -2.081 -9.491 401 H CYS 56 H CYS 56 -13.910 -3.411 -5.507 402 HA CYS 56 HA CYS 56 -13.652 -4.069 -2.583 403 HB2 CYS 56 2HB CYS 56 -13.917 -1.305 -3.789 404 HB3 CYS 56 1HB CYS 56 -13.430 -1.721 -2.148 405 H PHE 57 H PHE 57 -15.524 -3.130 -1.294 406 HA PHE 57 HA PHE 57 -18.053 -3.788 -2.602 407 HB2 PHE 57 2HB PHE 57 -17.402 -2.651 0.135 408 HB3 PHE 57 1HB PHE 57 -18.920 -3.413 -0.333 409 HD1 PHE 57 2HD PHE 57 -18.760 -5.837 -1.295 410 HD2 PHE 57 1HD PHE 57 -15.671 -3.961 1.028 411 HE1 PHE 57 2HE PHE 57 -17.812 -8.064 -0.758 412 HE2 PHE 57 1HE PHE 57 -14.723 -6.189 1.565 413 HZ PHE 57 HZ PHE 57 -15.793 -8.241 0.672 414 H ARG 58 H ARG 58 -19.947 -2.192 -2.255 415 HA ARG 58 HA ARG 58 -19.351 0.292 -3.586 416 HB2 ARG 58 2HB ARG 58 -21.489 -1.304 -3.391 417 HB3 ARG 58 1HB ARG 58 -21.900 -0.174 -2.101 418 HG2 ARG 58 2HG ARG 58 -22.317 1.525 -3.553 419 HG3 ARG 58 1HG ARG 58 -20.941 1.111 -4.576 420 HD2 ARG 58 2HD ARG 58 -22.181 -0.344 -5.889 421 HD3 ARG 58 1HD ARG 58 -23.294 -0.749 -4.567 422 HE ARG 58 HE ARG 58 -23.312 1.945 -5.879 423 HH11 ARG 58 1HH1 ARG 58 -24.823 0.103 -3.554 424 HH12 ARG 58 2HH1 ARG 58 -26.430 0.293 -4.176 425 HH21 ARG 58 1HH2 ARG 58 -25.394 1.793 -7.126 426 HH22 ARG 58 2HH2 ARG 58 -26.752 1.249 -6.198 427 H HIS 59 H HIS 59 -20.132 -0.585 -0.233 428 HA HIS 59 HA HIS 59 -20.232 2.136 0.751 429 HB2 HIS 59 2HB HIS 59 -19.748 -0.554 2.073 430 HB3 HIS 59 1HB HIS 59 -20.108 0.935 2.944 431 HD1 HIS 59 1HD HIS 59 -22.247 1.987 0.838 432 HD2 HIS 59 2HD HIS 59 -22.234 -1.790 2.602 433 HE1 HIS 59 1HE HIS 59 -24.627 1.129 0.711 434 H GLU 60 H GLU 60 -17.666 0.334 -0.445 435 HA GLU 60 HA GLU 60 -15.700 1.863 1.227 436 HB2 GLU 60 2HB GLU 60 -15.860 -0.986 0.290 437 HB3 GLU 60 1HB GLU 60 -14.278 -0.255 0.543 438 HG2 GLU 60 2HG GLU 60 -15.418 0.529 2.828 439 HG3 GLU 60 1HG GLU 60 -16.401 -0.907 2.535 440 H TYR 61 H TYR 61 -13.432 1.506 -0.154 441 HA TYR 61 HA TYR 61 -13.964 2.019 -3.039 442 HB2 TYR 61 2HB TYR 61 -12.684 4.100 -2.931 443 HB3 TYR 61 1HB TYR 61 -14.004 4.176 -1.769 444 HD1 TYR 61 1HD TYR 61 -13.397 3.192 0.644 445 HD2 TYR 61 2HD TYR 61 -10.549 4.688 -2.204 446 HE1 TYR 61 1HE TYR 61 -11.767 3.569 2.473 447 HE2 TYR 61 2HE TYR 61 -8.920 5.065 -0.373 448 HH TYR 61 HH TYR 61 -9.782 4.408 3.020 449 H VAL 62 H VAL 62 -11.389 2.766 -3.737 450 HA VAL 62 HA VAL 62 -9.825 0.312 -3.014 451 HB VAL 62 HB VAL 62 -9.919 2.114 -5.451 452 HG11 VAL 62 1HG1 VAL 62 -7.811 0.325 -4.470 453 HG12 VAL 62 2HG1 VAL 62 -7.751 1.532 -5.756 454 HG13 VAL 62 3HG1 VAL 62 -8.365 -0.086 -6.093 455 HG21 VAL 62 3HG2 VAL 62 -11.003 0.356 -6.513 456 HG22 VAL 62 1HG2 VAL 62 -11.616 0.156 -4.871 457 HG23 VAL 62 2HG2 VAL 62 -10.295 -0.859 -5.448 458 H ASP 63 H ASP 63 -8.820 1.295 -1.130 459 HA ASP 63 HA ASP 63 -7.638 3.759 -0.775 460 HB2 ASP 63 2HB ASP 63 -7.677 1.593 0.664 461 HB3 ASP 63 1HB ASP 63 -6.156 1.207 -0.138 462 H THR 64 H THR 64 -6.857 4.638 -2.774 463 HA THR 64 HA THR 64 -5.050 3.407 -4.579 464 HB THR 64 HB THR 64 -4.438 5.999 -4.830 465 HG1 THR 64 1HG THR 64 -5.354 6.690 -2.938 466 HG21 THR 64 3HG2 THR 64 -5.709 4.799 -6.488 467 HG22 THR 64 1HG2 THR 64 -6.618 6.255 -6.081 468 HG23 THR 64 2HG2 THR 64 -7.106 4.696 -5.416 469 H TYR 65 H TYR 65 -4.477 4.961 -1.475 470 HA TYR 65 HA TYR 65 -1.632 5.331 -1.751 471 HB2 TYR 65 2HB TYR 65 -3.382 6.284 -0.078 472 HB3 TYR 65 1HB TYR 65 -3.112 4.792 0.822 473 HD1 TYR 65 1HD TYR 65 -1.187 7.551 -0.840 474 HD2 TYR 65 2HD TYR 65 -1.369 4.704 2.371 475 HE1 TYR 65 1HE TYR 65 0.895 8.498 0.117 476 HE2 TYR 65 2HE TYR 65 0.713 5.652 3.328 477 HH TYR 65 HH TYR 65 1.860 8.186 3.086 478 H TYR 66 H TYR 66 -3.559 2.766 -0.151 479 HA TYR 66 HA TYR 66 -1.158 1.161 0.353 480 HB2 TYR 66 2HB TYR 66 -4.093 1.049 0.906 481 HB3 TYR 66 1HB TYR 66 -3.168 -0.451 1.025 482 HD1 TYR 66 1HD TYR 66 -3.627 2.937 2.396 483 HD2 TYR 66 2HD TYR 66 -1.403 -0.724 2.686 484 HE1 TYR 66 1HE TYR 66 -2.725 3.658 4.590 485 HE2 TYR 66 2HE TYR 66 -0.500 -0.005 4.879 486 HH TYR 66 HH TYR 66 -0.096 2.210 6.062 487 H SER 67 H SER 67 -3.194 1.596 -2.331 488 HA SER 67 HA SER 67 -3.547 -0.968 -3.439 489 HB2 SER 67 2HB SER 67 -4.177 1.400 -4.278 490 HB3 SER 67 1HB SER 67 -2.565 1.442 -4.986 491 HG SER 67 HG SER 67 -3.661 0.510 -6.565 492 H ALA 68 H ALA 68 -0.620 0.820 -2.845 493 HA ALA 68 HA ALA 68 1.121 -0.472 -4.734 494 HB1 ALA 68 1HB ALA 68 2.718 0.272 -2.657 495 HB2 ALA 68 2HB ALA 68 1.276 1.225 -2.306 496 HB3 ALA 68 3HB ALA 68 2.097 1.407 -3.857 497 H VAL 69 H VAL 69 1.164 -0.938 -1.165 498 HA VAL 69 HA VAL 69 2.627 -3.302 -1.088 499 HB VAL 69 HB VAL 69 1.758 -1.945 0.842 500 HG11 VAL 69 1HG1 VAL 69 -0.522 -1.606 0.350 501 HG12 VAL 69 2HG1 VAL 69 -0.526 -2.740 1.699 502 HG13 VAL 69 3HG1 VAL 69 -0.795 -3.323 0.057 503 HG21 VAL 69 3HG2 VAL 69 2.644 -3.830 1.756 504 HG22 VAL 69 1HG2 VAL 69 1.739 -4.888 0.676 505 HG23 VAL 69 2HG2 VAL 69 0.955 -4.206 2.097 506 H CYS 70 H CYS 70 -0.730 -2.857 -2.022 507 HA CYS 70 HA CYS 70 -1.634 -5.556 -1.935 508 HB2 CYS 70 2HB CYS 70 -2.340 -2.980 -3.170 509 HB3 CYS 70 1HB CYS 70 -2.893 -4.378 -4.093 510 H GLY 71 H GLY 71 -0.834 -3.837 -4.969 511 HA2 GLY 71 2HA GLY 71 0.840 -4.651 -6.561 512 HA3 GLY 71 1HA GLY 71 0.648 -6.264 -5.874 513 H ARG 72 H ARG 72 -0.575 -7.631 -7.075 514 HA ARG 72 HA ARG 72 -1.910 -6.870 -9.478 515 HB2 ARG 72 2HB ARG 72 -1.535 -9.227 -7.761 516 HB3 ARG 72 1HB ARG 72 -3.059 -9.250 -8.649 517 HG2 ARG 72 2HG ARG 72 -1.381 -8.420 -10.613 518 HG3 ARG 72 1HG ARG 72 -0.279 -9.420 -9.666 519 HD2 ARG 72 2HD ARG 72 -2.991 -10.550 -10.225 520 HD3 ARG 72 1HD ARG 72 -1.828 -10.499 -11.566 521 HE ARG 72 HE ARG 72 -0.305 -11.459 -9.487 522 HH11 ARG 72 1HH1 ARG 72 -3.494 -12.234 -9.253 523 HH12 ARG 72 2HH1 ARG 72 -3.318 -13.933 -9.536 524 HH21 ARG 72 1HH2 ARG 72 -0.006 -13.695 -10.534 525 HH22 ARG 72 2HH2 ARG 72 -1.344 -14.760 -10.260 526 H TYR 73 H TYR 73 -3.136 -7.409 -6.177 527 HA TYR 73 HA TYR 73 -5.897 -6.722 -7.015 528 HB2 TYR 73 2HB TYR 73 -4.607 -7.522 -4.385 529 HB3 TYR 73 1HB TYR 73 -6.339 -7.279 -4.606 530 HD1 TYR 73 2HD TYR 73 -6.961 -8.457 -7.153 531 HD2 TYR 73 1HD TYR 73 -4.175 -9.803 -4.176 532 HE1 TYR 73 2HE TYR 73 -7.186 -10.778 -7.993 533 HE2 TYR 73 1HE TYR 73 -4.398 -12.125 -5.015 534 HH TYR 73 HH TYR 73 -5.540 -12.932 -7.903 535 H PHE 74 H PHE 74 -6.965 -5.220 -5.144 536 HA PHE 74 HA PHE 74 -5.175 -2.827 -4.836 537 HB2 PHE 74 2HB PHE 74 -8.176 -2.692 -5.073 538 HB3 PHE 74 1HB PHE 74 -6.981 -1.461 -5.476 539 HD1 PHE 74 2HD PHE 74 -8.320 -4.775 -6.509 540 HD2 PHE 74 1HD PHE 74 -6.070 -1.303 -7.662 541 HE1 PHE 74 2HE PHE 74 -8.331 -5.554 -8.864 542 HE2 PHE 74 1HE PHE 74 -6.081 -2.081 -10.019 543 HZ PHE 74 HZ PHE 74 -7.209 -4.206 -10.620 544 H CYS 75 H CYS 75 -5.317 -1.751 -2.821 545 HA CYS 75 HA CYS 75 -6.439 -3.345 -0.613 546 HB2 CYS 75 2HB CYS 75 -4.265 -2.383 -0.308 547 HB3 CYS 75 1HB CYS 75 -4.811 -0.803 -0.872 548 H CYS 76 H CYS 76 -8.715 -3.121 -0.675 549 HA CYS 76 HA CYS 76 -9.982 -0.527 -1.124 550 HB2 CYS 76 2HB CYS 76 -11.156 -3.064 0.040 551 HB3 CYS 76 1HB CYS 76 -12.006 -1.801 -0.846 552 H ARG 77 H ARG 77 -11.434 0.433 0.562 553 HA ARG 77 HA ARG 77 -10.776 -0.215 3.378 554 HB2 ARG 77 2HB ARG 77 -9.787 2.112 1.795 555 HB3 ARG 77 1HB ARG 77 -10.270 2.424 3.462 556 HG2 ARG 77 2HG ARG 77 -8.817 0.321 4.011 557 HG3 ARG 77 1HG ARG 77 -8.087 0.630 2.434 558 HD2 ARG 77 2HD ARG 77 -6.856 1.775 4.297 559 HD3 ARG 77 1HD ARG 77 -7.526 2.932 3.130 560 HE ARG 77 HE ARG 77 -9.386 2.287 5.281 561 HH11 ARG 77 1HH2 ARG 77 -6.508 4.032 4.593 562 HH12 ARG 77 2HH2 ARG 77 -6.962 5.419 5.524 563 HH21 ARG 77 1HH1 ARG 77 -10.088 4.170 6.355 564 HH22 ARG 77 2HH1 ARG 77 -8.988 5.497 6.523 565 H SER 78 H SER 78 -11.870 1.749 4.738 566 HA SER 78 HA SER 78 -14.644 2.030 3.636 567 HB2 SER 78 2HB SER 78 -13.833 0.756 5.865 568 HB3 SER 78 1HB SER 78 -13.998 2.379 6.530 569 HG SER 78 HG SER 78 -15.902 0.594 5.847 570 H ARG 79 H ARG 79 -14.590 4.081 2.675 571 HA ARG 79 HA ARG 79 -13.127 6.337 3.693 572 HB2 ARG 79 2HB ARG 79 -14.415 5.666 1.398 573 HB3 ARG 79 1HB ARG 79 -15.610 6.749 2.114 574 HG2 ARG 79 2HG ARG 79 -14.383 8.505 1.431 575 HG3 ARG 79 1HG ARG 79 -13.076 7.970 2.487 576 HD2 ARG 79 2HD ARG 79 -12.664 6.258 0.453 577 HD3 ARG 79 1HD ARG 79 -13.398 7.596 -0.455 578 HE ARG 79 HE ARG 79 -11.343 8.409 1.484 579 HH11 ARG 79 1HH2 ARG 79 -12.413 9.403 -1.362 580 HH12 ARG 79 2HH2 ARG 79 -10.918 9.333 -2.234 581 HH21 ARG 79 1HH1 ARG 79 -9.276 7.493 0.203 582 HH22 ARG 79 2HH1 ARG 79 -9.142 8.252 -1.348 Start of MODEL 21 1 H1 ASN 1 1HT ASN 1 15.165 7.780 -11.099 2 H2 ASN 1 2HT ASN 1 16.652 7.815 -10.280 3 H3 ASN 1 3HT ASN 1 15.304 8.622 -9.633 4 HA ASN 1 HA ASN 1 15.198 5.705 -10.087 5 HB2 ASN 1 2HB ASN 1 17.291 6.204 -8.898 6 HB3 ASN 1 1HB ASN 1 16.415 7.225 -7.757 7 HD21 ASN 1 1HD2 ASN 1 15.185 6.183 -6.081 8 HD22 ASN 1 2HD2 ASN 1 15.227 4.506 -5.825 9 HA PRO 2 HA PRO 2 11.204 6.794 -8.481 10 HB2 PRO 2 2HB PRO 2 10.243 4.243 -8.241 11 HB3 PRO 2 1HB PRO 2 10.368 5.085 -9.799 12 HG2 PRO 2 2HG PRO 2 12.157 3.026 -8.611 13 HG3 PRO 2 1HG PRO 2 11.654 3.251 -10.293 14 HD2 PRO 2 2HD PRO 2 14.091 4.019 -9.322 15 HD3 PRO 2 1HD PRO 2 13.295 4.785 -10.715 16 H LEU 3 H LEU 3 11.876 7.564 -6.385 17 HA LEU 3 HA LEU 3 12.924 6.079 -4.243 18 HB2 LEU 3 2HB LEU 3 12.039 8.636 -4.731 19 HB3 LEU 3 1HB LEU 3 10.854 8.067 -3.556 20 HG LEU 3 HG LEU 3 13.862 7.914 -3.202 21 HD11 LEU 3 1HD1 LEU 3 11.776 9.778 -2.032 22 HD12 LEU 3 2HD1 LEU 3 13.128 10.224 -3.073 23 HD13 LEU 3 3HD1 LEU 3 13.430 9.647 -1.435 24 HD21 LEU 3 3HD2 LEU 3 12.986 6.171 -1.903 25 HD22 LEU 3 1HD2 LEU 3 11.485 7.039 -1.576 26 HD23 LEU 3 2HD2 LEU 3 12.975 7.516 -0.762 27 H ILE 4 H ILE 4 12.028 4.681 -2.724 28 HA ILE 4 HA ILE 4 9.680 3.199 -3.293 29 HB ILE 4 HB ILE 4 11.544 3.628 -1.000 30 HG12 ILE 4 2HG1 ILE 4 11.877 1.982 -2.885 31 HG13 ILE 4 1HG1 ILE 4 11.906 1.257 -1.278 32 HG21 ILE 4 1HG2 ILE 4 8.725 2.745 -0.696 33 HG22 ILE 4 2HG2 ILE 4 9.826 3.425 0.501 34 HG23 ILE 4 3HG2 ILE 4 9.931 1.717 0.076 35 HD11 ILE 4 3HD1 ILE 4 9.489 0.676 -1.544 36 HD12 ILE 4 1HD1 ILE 4 10.519 -0.115 -2.736 37 HD13 ILE 4 2HD1 ILE 4 9.559 1.290 -3.196 38 HA PRO 5 HA PRO 5 6.525 5.904 -1.821 39 HB2 PRO 5 2HB PRO 5 4.530 4.064 -1.501 40 HB3 PRO 5 1HB PRO 5 5.056 4.647 -3.089 41 HG2 PRO 5 2HG PRO 5 5.663 2.093 -1.717 42 HG3 PRO 5 1HG PRO 5 5.434 2.422 -3.440 43 HD2 PRO 5 2HD PRO 5 7.885 2.076 -2.217 44 HD3 PRO 5 1HD PRO 5 7.630 2.927 -3.756 45 H ALA 6 H ALA 6 5.155 6.167 0.141 46 HA ALA 6 HA ALA 6 6.547 5.294 2.544 47 HB1 ALA 6 1HB ALA 6 4.211 7.066 1.857 48 HB2 ALA 6 2HB ALA 6 5.770 7.520 2.546 49 HB3 ALA 6 3HB ALA 6 4.577 6.682 3.539 50 H ILE 7 H ILE 7 3.761 4.270 0.737 51 HA ILE 7 HA ILE 7 2.142 3.080 2.699 52 HB ILE 7 HB ILE 7 1.340 3.152 0.488 53 HG12 ILE 7 2HG1 ILE 7 0.788 0.880 -0.053 54 HG13 ILE 7 1HG1 ILE 7 2.241 0.273 0.743 55 HG21 ILE 7 1HG2 ILE 7 2.733 3.119 -1.276 56 HG22 ILE 7 2HG2 ILE 7 3.135 1.433 -0.958 57 HG23 ILE 7 3HG2 ILE 7 4.067 2.720 -0.198 58 HD11 ILE 7 3HD1 ILE 7 -0.141 1.597 2.073 59 HD12 ILE 7 1HD1 ILE 7 1.357 1.195 2.910 60 HD13 ILE 7 2HD1 ILE 7 0.360 -0.087 2.227 61 H TYR 8 H TYR 8 4.735 1.408 0.865 62 HA TYR 8 HA TYR 8 4.696 -1.063 2.137 63 HB2 TYR 8 2HB TYR 8 7.072 0.622 1.284 64 HB3 TYR 8 1HB TYR 8 7.108 -1.123 1.533 65 HD1 TYR 8 2HD TYR 8 4.286 -1.678 0.456 66 HD2 TYR 8 1HD TYR 8 7.568 0.630 -1.077 67 HE1 TYR 8 2HE TYR 8 3.445 -2.017 -1.848 68 HE2 TYR 8 1HE TYR 8 6.725 0.291 -3.385 69 HH TYR 8 HH TYR 8 5.175 -1.659 -4.506 70 H ILE 9 H ILE 9 5.759 2.010 3.430 71 HA ILE 9 HA ILE 9 7.281 0.966 5.652 72 HB ILE 9 HB ILE 9 5.747 3.574 5.425 73 HG12 ILE 9 2HG1 ILE 9 8.420 2.727 4.276 74 HG13 ILE 9 1HG1 ILE 9 7.032 3.380 3.405 75 HG21 ILE 9 1HG2 ILE 9 6.724 3.081 7.638 76 HG22 ILE 9 2HG2 ILE 9 7.565 4.423 6.862 77 HG23 ILE 9 3HG2 ILE 9 8.297 2.819 6.885 78 HD11 ILE 9 3HD1 ILE 9 7.347 5.443 4.994 79 HD12 ILE 9 1HD1 ILE 9 8.404 5.262 3.594 80 HD13 ILE 9 2HD1 ILE 9 8.979 4.804 5.197 81 H GLY 10 H GLY 10 6.475 -0.056 7.430 82 HA2 GLY 10 2HA GLY 10 4.938 -0.806 9.039 83 HA3 GLY 10 1HA GLY 10 4.127 0.752 8.836 84 H ALA 11 H ALA 11 4.691 -1.470 6.185 85 HA ALA 11 HA ALA 11 1.714 -1.915 6.036 86 HB1 ALA 11 1HB ALA 11 1.980 -0.834 4.067 87 HB2 ALA 11 2HB ALA 11 2.826 -2.274 3.500 88 HB3 ALA 11 3HB ALA 11 3.737 -0.929 4.184 89 H THR 12 H THR 12 1.794 -3.815 3.954 90 HA THR 12 HA THR 12 3.562 -6.033 4.818 91 HB THR 12 HB THR 12 0.573 -5.895 5.267 92 HG1 THR 12 1HG THR 12 1.587 -5.367 7.080 93 HG21 THR 12 3HG2 THR 12 2.301 -8.239 4.677 94 HG22 THR 12 1HG2 THR 12 0.571 -8.018 4.411 95 HG23 THR 12 2HG2 THR 12 1.173 -8.413 6.022 96 H VAL 13 H VAL 13 4.271 -6.423 2.694 97 HA VAL 13 HA VAL 13 2.218 -6.613 0.536 98 HB VAL 13 HB VAL 13 4.105 -6.369 -0.932 99 HG11 VAL 13 1HG1 VAL 13 4.487 -4.749 1.601 100 HG12 VAL 13 2HG1 VAL 13 3.570 -4.287 0.167 101 HG13 VAL 13 3HG1 VAL 13 5.327 -4.410 0.087 102 HG21 VAL 13 3HG2 VAL 13 6.421 -6.292 0.533 103 HG22 VAL 13 1HG2 VAL 13 5.860 -7.707 -0.359 104 HG23 VAL 13 2HG2 VAL 13 5.528 -7.563 1.367 105 H GLY 14 H GLY 14 2.589 -8.497 -1.035 106 HA2 GLY 14 2HA GLY 14 2.615 -10.993 0.476 107 HA3 GLY 14 1HA GLY 14 2.376 -10.841 -1.266 108 HA PRO 15 HA PRO 15 6.608 -12.524 -0.574 109 HB2 PRO 15 2HB PRO 15 6.367 -14.561 -2.385 110 HB3 PRO 15 1HB PRO 15 5.859 -14.713 -0.691 111 HG2 PRO 15 2HG PRO 15 4.217 -14.237 -3.124 112 HG3 PRO 15 1HG PRO 15 3.859 -15.216 -1.693 113 HD2 PRO 15 2HD PRO 15 2.829 -12.717 -2.133 114 HD3 PRO 15 1HD PRO 15 3.048 -13.432 -0.519 115 H SER 16 H SER 16 4.818 -12.324 -3.669 116 HA SER 16 HA SER 16 7.106 -11.883 -5.340 117 HB2 SER 16 2HB SER 16 4.203 -11.899 -5.470 118 HB3 SER 16 1HB SER 16 4.867 -10.609 -6.468 119 HG SER 16 HG SER 16 5.600 -13.356 -6.511 120 H VAL 17 H VAL 17 4.717 -9.546 -4.023 121 HA VAL 17 HA VAL 17 5.952 -7.182 -4.983 122 HB VAL 17 HB VAL 17 4.405 -7.698 -2.420 123 HG11 VAL 17 1HG1 VAL 17 4.733 -5.157 -4.046 124 HG12 VAL 17 2HG1 VAL 17 5.547 -5.485 -2.516 125 HG13 VAL 17 3HG1 VAL 17 3.791 -5.333 -2.565 126 HG21 VAL 17 3HG2 VAL 17 2.468 -7.661 -3.660 127 HG22 VAL 17 1HG2 VAL 17 3.545 -8.291 -4.905 128 HG23 VAL 17 2HG2 VAL 17 3.144 -6.574 -4.873 129 H TRP 18 H TRP 18 6.503 -8.985 -1.950 130 HA TRP 18 HA TRP 18 8.275 -7.210 -0.655 131 HB2 TRP 18 2HB TRP 18 7.404 -9.236 0.365 132 HB3 TRP 18 1HB TRP 18 8.200 -10.237 -0.844 133 HD1 TRP 18 HD TRP 18 10.808 -10.595 -0.649 134 HE1 TRP 18 1HE TRP 18 12.476 -10.209 1.279 135 HE3 TRP 18 3HE TRP 18 7.946 -7.690 2.423 136 HZ2 TRP 18 2HZ TRP 18 12.581 -8.847 3.793 137 HZ3 TRP 18 3HZ TRP 18 8.853 -6.863 4.574 138 HH2 TRP 18 HH TRP 18 11.163 -7.437 5.264 139 H ALA 19 H ALA 19 9.329 -10.079 -2.497 140 HA ALA 19 HA ALA 19 12.026 -9.539 -2.790 141 HB1 ALA 19 1HB ALA 19 9.925 -10.992 -4.222 142 HB2 ALA 19 2HB ALA 19 11.571 -11.498 -3.842 143 HB3 ALA 19 3HB ALA 19 11.259 -10.517 -5.275 144 H TYR 20 H TYR 20 9.360 -8.040 -4.579 145 HA TYR 20 HA TYR 20 10.935 -6.706 -6.574 146 HB2 TYR 20 2HB TYR 20 8.459 -7.086 -6.567 147 HB3 TYR 20 1HB TYR 20 8.313 -5.891 -5.280 148 HD1 TYR 20 2HD TYR 20 9.475 -6.370 -8.792 149 HD2 TYR 20 1HD TYR 20 8.285 -3.570 -5.760 150 HE1 TYR 20 2HE TYR 20 9.455 -4.552 -10.478 151 HE2 TYR 20 1HE TYR 20 8.264 -1.752 -7.447 152 HH TYR 20 HH TYR 20 8.416 -2.359 -10.800 153 H LEU 21 H LEU 21 9.331 -5.193 -3.746 154 HA LEU 21 HA LEU 21 10.585 -2.725 -3.731 155 HB2 LEU 21 2HB LEU 21 8.836 -3.871 -2.166 156 HB3 LEU 21 1HB LEU 21 10.240 -4.344 -1.210 157 HG LEU 21 HG LEU 21 9.426 -1.519 -1.951 158 HD11 LEU 21 1HD1 LEU 21 8.090 -2.239 -0.131 159 HD12 LEU 21 2HD1 LEU 21 9.427 -1.376 0.628 160 HD13 LEU 21 3HD1 LEU 21 9.421 -3.138 0.598 161 HD21 LEU 21 3HD2 LEU 21 11.942 -2.691 -0.814 162 HD22 LEU 21 1HD2 LEU 21 11.403 -1.116 -0.230 163 HD23 LEU 21 2HD2 LEU 21 11.746 -1.351 -1.944 164 H VAL 22 H VAL 22 11.912 -5.819 -2.608 165 HA VAL 22 HA VAL 22 14.278 -4.850 -1.348 166 HB VAL 22 HB VAL 22 13.877 -7.395 -2.947 167 HG11 VAL 22 1HG1 VAL 22 15.530 -8.337 -1.465 168 HG12 VAL 22 2HG1 VAL 22 15.535 -6.885 -0.462 169 HG13 VAL 22 3HG1 VAL 22 16.192 -6.831 -2.098 170 HG21 VAL 22 3HG2 VAL 22 12.271 -7.959 -1.473 171 HG22 VAL 22 1HG2 VAL 22 12.455 -6.408 -0.653 172 HG23 VAL 22 2HG2 VAL 22 13.439 -7.787 -0.162 173 H ALA 23 H ALA 23 13.726 -5.921 -4.704 174 HA ALA 23 HA ALA 23 16.320 -5.518 -5.735 175 HB1 ALA 23 1HB ALA 23 15.249 -5.788 -7.790 176 HB2 ALA 23 2HB ALA 23 13.868 -4.800 -7.310 177 HB3 ALA 23 3HB ALA 23 14.031 -6.446 -6.699 178 H LEU 24 H LEU 24 13.626 -3.198 -5.405 179 HA LEU 24 HA LEU 24 14.851 -0.977 -6.690 180 HB2 LEU 24 2HB LEU 24 12.444 -1.486 -5.718 181 HB3 LEU 24 1HB LEU 24 13.086 -0.691 -4.279 182 HG LEU 24 HG LEU 24 13.664 1.291 -5.596 183 HD11 LEU 24 1HD1 LEU 24 14.139 0.841 -7.774 184 HD12 LEU 24 2HD1 LEU 24 12.406 1.046 -8.022 185 HD13 LEU 24 3HD1 LEU 24 13.082 -0.569 -7.809 186 HD21 LEU 24 3HD2 LEU 24 11.497 1.519 -4.739 187 HD22 LEU 24 1HD2 LEU 24 10.861 0.207 -5.731 188 HD23 LEU 24 2HD2 LEU 24 11.230 1.768 -6.465 189 H VAL 25 H VAL 25 14.915 -2.023 -3.281 190 HA VAL 25 HA VAL 25 17.189 -0.117 -2.840 191 HB VAL 25 HB VAL 25 15.443 0.740 -1.542 192 HG11 VAL 25 1HG1 VAL 25 14.526 -2.095 -1.477 193 HG12 VAL 25 2HG1 VAL 25 13.604 -0.618 -1.755 194 HG13 VAL 25 3HG1 VAL 25 14.071 -1.070 -0.116 195 HG21 VAL 25 3HG2 VAL 25 16.392 0.635 0.494 196 HG22 VAL 25 1HG2 VAL 25 17.489 -0.566 -0.183 197 HG23 VAL 25 2HG2 VAL 25 16.027 -1.083 0.656 198 H GLY 26 H GLY 26 16.055 -2.545 -0.541 199 HA2 GLY 26 2HA GLY 26 17.746 -4.698 -1.209 200 HA3 GLY 26 1HA GLY 26 18.674 -3.623 -0.160 201 H ALA 27 H ALA 27 18.047 -6.187 0.721 202 HA ALA 27 HA ALA 27 15.632 -6.450 2.198 203 HB1 ALA 27 1HB ALA 27 17.579 -7.854 3.587 204 HB2 ALA 27 2HB ALA 27 18.276 -7.701 1.974 205 HB3 ALA 27 3HB ALA 27 16.696 -8.456 2.183 206 H ALA 28 H ALA 28 18.451 -4.516 2.810 207 HA ALA 28 HA ALA 28 18.182 -4.330 5.679 208 HB1 ALA 28 1HB ALA 28 20.267 -3.855 4.495 209 HB2 ALA 28 2HB ALA 28 19.731 -2.389 5.315 210 HB3 ALA 28 3HB ALA 28 19.483 -2.570 3.578 211 H ALA 29 H ALA 29 17.568 -1.849 3.165 212 HA ALA 29 HA ALA 29 16.017 -0.149 4.877 213 HB1 ALA 29 1HB ALA 29 15.307 -0.062 2.046 214 HB2 ALA 29 2HB ALA 29 17.054 -0.164 2.273 215 HB3 ALA 29 3HB ALA 29 16.142 1.149 3.018 216 H VAL 30 H VAL 30 15.280 -3.088 3.195 217 HA VAL 30 HA VAL 30 12.402 -2.701 3.020 218 HB VAL 30 HB VAL 30 14.318 -5.034 2.818 219 HG11 VAL 30 1HG1 VAL 30 11.820 -5.751 1.711 220 HG12 VAL 30 2HG1 VAL 30 11.471 -5.102 3.313 221 HG13 VAL 30 3HG1 VAL 30 12.594 -6.449 3.134 222 HG21 VAL 30 3HG2 VAL 30 14.114 -4.757 0.525 223 HG22 VAL 30 1HG2 VAL 30 13.901 -3.085 1.048 224 HG23 VAL 30 2HG2 VAL 30 12.494 -4.070 0.648 225 H THR 31 H THR 31 14.651 -4.062 5.393 226 HA THR 31 HA THR 31 12.449 -5.104 7.074 227 HB THR 31 HB THR 31 15.436 -4.919 7.578 228 HG1 THR 31 1HG THR 31 13.856 -6.682 6.081 229 HG21 THR 31 3HG2 THR 31 14.314 -7.245 8.686 230 HG22 THR 31 1HG2 THR 31 13.178 -5.950 9.067 231 HG23 THR 31 2HG2 THR 31 14.867 -5.817 9.560 232 H ALA 32 H ALA 32 14.472 -2.270 6.814 233 HA ALA 32 HA ALA 32 13.987 -1.355 9.563 234 HB1 ALA 32 1HB ALA 32 16.063 -0.870 8.323 235 HB2 ALA 32 2HB ALA 32 15.226 0.630 8.723 236 HB3 ALA 32 3HB ALA 32 15.134 -0.023 7.087 237 H ALA 33 H ALA 33 12.514 -0.989 6.409 238 HA ALA 33 HA ALA 33 10.955 1.388 7.114 239 HB1 ALA 33 1HB ALA 33 11.200 -0.549 4.832 240 HB2 ALA 33 2HB ALA 33 11.438 1.198 4.837 241 HB3 ALA 33 3HB ALA 33 9.806 0.531 4.891 242 H ASN 34 H ASN 34 10.761 -1.614 8.332 243 HA ASN 34 HA ASN 34 9.037 -2.842 9.369 244 HB2 ASN 34 2HB ASN 34 8.611 -0.580 10.277 245 HB3 ASN 34 1HB ASN 34 7.587 -0.220 8.889 246 HD21 ASN 34 1HD2 ASN 34 6.206 0.017 11.174 247 HD22 ASN 34 2HD2 ASN 34 5.238 -1.341 11.495 248 H ILE 35 H ILE 35 9.096 -4.078 7.236 249 HA ILE 35 HA ILE 35 6.459 -3.826 5.822 250 HB ILE 35 HB ILE 35 9.244 -4.490 4.819 251 HG12 ILE 35 2HG1 ILE 35 7.271 -2.452 3.775 252 HG13 ILE 35 1HG1 ILE 35 8.394 -2.072 5.083 253 HG21 ILE 35 1HG2 ILE 35 6.881 -5.688 3.940 254 HG22 ILE 35 2HG2 ILE 35 8.391 -5.587 3.037 255 HG23 ILE 35 3HG2 ILE 35 7.140 -4.369 2.800 256 HD11 ILE 35 3HD1 ILE 35 10.154 -1.929 3.670 257 HD12 ILE 35 1HD1 ILE 35 8.956 -1.865 2.378 258 HD13 ILE 35 2HD1 ILE 35 9.693 -3.404 2.820 259 H ARG 36 H ARG 36 5.235 -5.672 6.014 260 HA ARG 36 HA ARG 36 6.607 -8.156 6.973 261 HB2 ARG 36 2HB ARG 36 3.752 -7.152 7.181 262 HB3 ARG 36 1HB ARG 36 4.312 -8.695 7.821 263 HG2 ARG 36 2HG ARG 36 5.959 -6.387 8.625 264 HG3 ARG 36 1HG ARG 36 4.304 -6.343 9.235 265 HD2 ARG 36 2HD ARG 36 4.758 -8.864 9.861 266 HD3 ARG 36 1HD ARG 36 6.461 -8.367 9.778 267 HE ARG 36 HE ARG 36 4.559 -6.708 11.362 268 HH11 ARG 36 1HH2 ARG 36 7.759 -7.467 10.913 269 HH12 ARG 36 2HH2 ARG 36 8.136 -7.718 12.585 270 HH21 ARG 36 1HH1 ARG 36 4.828 -7.604 13.621 271 HH22 ARG 36 2HH1 ARG 36 6.476 -7.796 14.118 272 H ARG 37 H ARG 37 6.192 -10.118 5.896 273 HA ARG 37 HA ARG 37 5.163 -9.864 3.126 274 HB2 ARG 37 2HB ARG 37 6.928 -11.647 4.719 275 HB3 ARG 37 1HB ARG 37 6.023 -12.427 3.421 276 HG2 ARG 37 2HG ARG 37 7.246 -11.412 1.802 277 HG3 ARG 37 1HG ARG 37 7.229 -9.861 2.641 278 HD2 ARG 37 2HD ARG 37 9.526 -11.011 2.415 279 HD3 ARG 37 1HD ARG 37 9.069 -10.505 4.054 280 HE ARG 37 HE ARG 37 8.148 -13.195 3.400 281 HH11 ARG 37 1HH2 ARG 37 9.904 -11.312 5.528 282 HH12 ARG 37 2HH2 ARG 37 11.024 -12.551 5.990 283 HH21 ARG 37 1HH1 ARG 37 9.959 -14.788 3.565 284 HH22 ARG 37 2HH1 ARG 37 11.054 -14.518 4.878 285 H ALA 38 H ALA 38 3.408 -11.155 2.362 286 HA ALA 38 HA ALA 38 1.774 -12.481 4.504 287 HB1 ALA 38 1HB ALA 38 -0.105 -11.699 2.808 288 HB2 ALA 38 2HB ALA 38 1.135 -10.556 2.293 289 HB3 ALA 38 3HB ALA 38 0.575 -10.555 3.965 290 H SER 39 H SER 39 0.108 -14.030 3.402 291 HA SER 39 HA SER 39 1.400 -16.164 2.126 292 HB2 SER 39 2HB SER 39 -0.838 -16.169 3.217 293 HB3 SER 39 1HB SER 39 -1.485 -15.260 1.853 294 HG SER 39 HG SER 39 -1.002 -17.912 2.098 295 H SER 40 H SER 40 -0.201 -13.357 0.664 296 HA SER 40 HA SER 40 1.300 -13.763 -1.830 297 HB2 SER 40 2HB SER 40 -1.552 -14.522 -1.437 298 HB3 SER 40 1HB SER 40 -1.164 -13.691 -2.940 299 HG SER 40 HG SER 40 -0.822 -15.836 -3.312 300 H ASP 41 H ASP 41 -0.265 -12.147 -3.491 301 HA ASP 41 HA ASP 41 0.376 -9.502 -2.561 302 HB2 ASP 41 2HB ASP 41 -1.376 -10.569 -4.797 303 HB3 ASP 41 1HB ASP 41 -0.867 -8.887 -4.655 304 H ASN 42 H ASN 42 -2.388 -11.541 -2.107 305 HA ASN 42 HA ASN 42 -4.204 -9.284 -1.488 306 HB2 ASN 42 2HB ASN 42 -5.041 -11.206 -2.725 307 HB3 ASN 42 1HB ASN 42 -4.468 -12.307 -1.472 308 HD21 ASN 42 1HD2 ASN 42 -7.029 -12.749 -1.734 309 HD22 ASN 42 2HD2 ASN 42 -7.999 -11.906 -0.625 310 H HIS 43 H HIS 43 -3.215 -8.413 0.442 311 HA HIS 43 HA HIS 43 -3.426 -10.217 2.829 312 HB2 HIS 43 2HB HIS 43 -1.514 -8.578 3.641 313 HB3 HIS 43 1HB HIS 43 -1.124 -9.941 2.599 314 HD1 HIS 43 1HD HIS 43 -1.340 -6.203 2.627 315 HD2 HIS 43 2HD HIS 43 -0.478 -9.241 -0.091 316 HE1 HIS 43 1HE HIS 43 -0.270 -5.081 0.613 317 H SER 44 H SER 44 -3.313 -8.610 4.884 318 HA SER 44 HA SER 44 -5.627 -6.803 4.543 319 HB2 SER 44 2HB SER 44 -4.634 -6.734 7.189 320 HB3 SER 44 1HB SER 44 -6.016 -7.646 6.596 321 HG SER 44 HG SER 44 -4.509 -9.035 7.544 322 H CYS 45 H CYS 45 -5.232 -4.694 4.008 323 HA CYS 45 HA CYS 45 -2.608 -3.494 4.785 324 HB2 CYS 45 2HB CYS 45 -3.244 -1.817 3.032 325 HB3 CYS 45 1HB CYS 45 -3.165 -3.462 2.418 326 H ALA 46 H ALA 46 -3.046 -0.904 4.944 327 HA ALA 46 HA ALA 46 -3.744 0.716 6.542 328 HB1 ALA 46 1HB ALA 46 -5.536 1.108 5.117 329 HB2 ALA 46 2HB ALA 46 -6.415 0.583 6.552 330 HB3 ALA 46 3HB ALA 46 -6.122 -0.551 5.234 331 H GLY 47 H GLY 47 -2.949 -1.807 7.710 332 HA2 GLY 47 2HA GLY 47 -3.031 -2.826 9.826 333 HA3 GLY 47 1HA GLY 47 -4.167 -1.567 10.316 334 H ASN 48 H ASN 48 -5.574 -3.092 11.355 335 HA ASN 48 HA ASN 48 -6.712 -5.294 9.792 336 HB2 ASN 48 2HB ASN 48 -7.163 -4.167 12.568 337 HB3 ASN 48 1HB ASN 48 -7.998 -5.594 11.955 338 HD21 ASN 48 1HD2 ASN 48 -6.737 -7.557 11.638 339 HD22 ASN 48 2HD2 ASN 48 -5.169 -7.719 12.268 340 H ARG 49 H ARG 49 -7.182 -2.540 8.809 341 HA ARG 49 HA ARG 49 -10.138 -2.330 9.216 342 HB2 ARG 49 2HB ARG 49 -7.897 -0.364 8.789 343 HB3 ARG 49 1HB ARG 49 -9.563 0.089 8.439 344 HG2 ARG 49 2HG ARG 49 -9.630 -1.198 10.948 345 HG3 ARG 49 1HG ARG 49 -8.243 -0.110 11.001 346 HD2 ARG 49 2HD ARG 49 -10.814 0.932 9.853 347 HD3 ARG 49 1HD ARG 49 -10.656 0.804 11.616 348 HE ARG 49 HE ARG 49 -8.344 2.013 11.115 349 HH11 ARG 49 1HH2 ARG 49 -11.569 2.733 10.265 350 HH12 ARG 49 2HH2 ARG 49 -11.199 4.272 9.560 351 HH21 ARG 49 1HH1 ARG 49 -7.768 3.901 9.910 352 HH22 ARG 49 2HH1 ARG 49 -9.046 4.934 9.361 353 H GLY 50 H GLY 50 -7.513 -2.455 6.844 354 HA2 GLY 50 2HA GLY 50 -9.614 -2.562 4.711 355 HA3 GLY 50 1HA GLY 50 -8.087 -1.720 4.461 356 H TRP 51 H TRP 51 -8.842 -3.762 2.735 357 HA TRP 51 HA TRP 51 -6.794 -5.855 3.358 358 HB2 TRP 51 2HB TRP 51 -9.719 -6.048 2.825 359 HB3 TRP 51 1HB TRP 51 -8.700 -7.271 2.077 360 HD1 TRP 51 HD TRP 51 -10.362 -6.426 5.257 361 HE1 TRP 51 1HE TRP 51 -9.574 -8.001 7.140 362 HE3 TRP 51 3HE TRP 51 -6.345 -8.587 2.972 363 HZ2 TRP 51 2HZ TRP 51 -7.507 -9.923 7.614 364 HZ3 TRP 51 3HZ TRP 51 -4.983 -10.278 4.158 365 HH2 TRP 51 HH TRP 51 -5.558 -10.953 6.473 366 H CYS 52 H CYS 52 -6.454 -7.190 1.181 367 HA CYS 52 HA CYS 52 -6.245 -5.193 -1.034 368 HB2 CYS 52 2HB CYS 52 -4.782 -7.713 -0.234 369 HB3 CYS 52 1HB CYS 52 -4.581 -7.012 -1.835 370 H ARG 53 H ARG 53 -8.179 -5.436 -2.197 371 HA ARG 53 HA ARG 53 -8.843 -8.205 -3.141 372 HB2 ARG 53 2HB ARG 53 -10.686 -5.829 -2.737 373 HB3 ARG 53 1HB ARG 53 -11.165 -7.489 -3.069 374 HG2 ARG 53 2HG ARG 53 -10.997 -8.073 -0.898 375 HG3 ARG 53 1HG ARG 53 -9.417 -7.301 -0.742 376 HD2 ARG 53 2HD ARG 53 -10.486 -5.105 -0.481 377 HD3 ARG 53 1HD ARG 53 -12.086 -5.847 -0.680 378 HE ARG 53 HE ARG 53 -10.481 -7.132 1.396 379 HH11 ARG 53 1HH2 ARG 53 -10.987 -4.028 1.742 380 HH12 ARG 53 2HH2 ARG 53 -12.316 -4.090 2.851 381 HH21 ARG 53 1HH1 ARG 53 -12.923 -7.467 2.348 382 HH22 ARG 53 2HH1 ARG 53 -13.412 -6.036 3.195 383 H SER 54 H SER 54 -9.023 -8.435 -5.383 384 HA SER 54 HA SER 54 -7.911 -6.622 -7.206 385 HB2 SER 54 2HB SER 54 -8.324 -8.565 -8.318 386 HB3 SER 54 1HB SER 54 -9.628 -8.993 -7.216 387 HG SER 54 HG SER 54 -9.779 -8.032 -9.697 388 H LYS 55 H LYS 55 -11.270 -6.905 -6.117 389 HA LYS 55 HA LYS 55 -11.796 -4.165 -7.191 390 HB2 LYS 55 2HB LYS 55 -13.124 -5.292 -8.665 391 HB3 LYS 55 1HB LYS 55 -13.015 -6.785 -7.740 392 HG2 LYS 55 2HG LYS 55 -14.710 -5.916 -6.160 393 HG3 LYS 55 1HG LYS 55 -14.850 -4.447 -7.128 394 HD2 LYS 55 2HD LYS 55 -15.125 -6.973 -8.644 395 HD3 LYS 55 1HD LYS 55 -16.419 -6.651 -7.489 396 HE2 LYS 55 2HE LYS 55 -16.294 -4.208 -8.570 397 HE3 LYS 55 1HE LYS 55 -15.667 -5.130 -9.951 398 HZ1 LYS 55 3HZ LYS 55 -18.042 -5.120 -10.086 399 HZ2 LYS 55 1HZ LYS 55 -18.196 -5.626 -8.475 400 HZ3 LYS 55 2HZ LYS 55 -17.553 -6.685 -9.639 401 H CYS 56 H CYS 56 -13.032 -2.864 -5.755 402 HA CYS 56 HA CYS 56 -13.420 -4.024 -3.029 403 HB2 CYS 56 2HB CYS 56 -13.528 -1.109 -3.816 404 HB3 CYS 56 1HB CYS 56 -13.124 -1.800 -2.249 405 H PHE 57 H PHE 57 -15.399 -3.165 -1.843 406 HA PHE 57 HA PHE 57 -17.782 -3.564 -3.485 407 HB2 PHE 57 2HB PHE 57 -17.520 -2.721 -0.586 408 HB3 PHE 57 1HB PHE 57 -18.877 -3.561 -1.334 409 HD1 PHE 57 1HD PHE 57 -18.536 -5.898 -2.243 410 HD2 PHE 57 2HD PHE 57 -15.624 -3.918 0.216 411 HE1 PHE 57 1HE PHE 57 -17.458 -8.079 -1.764 412 HE2 PHE 57 2HE PHE 57 -14.547 -6.100 0.697 413 HZ PHE 57 HZ PHE 57 -15.464 -8.180 -0.293 414 H ARG 58 H ARG 58 -19.644 -1.966 -3.270 415 HA ARG 58 HA ARG 58 -18.871 0.637 -4.176 416 HB2 ARG 58 2HB ARG 58 -21.056 -0.858 -4.390 417 HB3 ARG 58 1HB ARG 58 -21.550 0.062 -2.969 418 HG2 ARG 58 2HG ARG 58 -22.223 1.657 -4.423 419 HG3 ARG 58 1HG ARG 58 -20.508 2.012 -4.637 420 HD2 ARG 58 2HD ARG 58 -20.658 -0.013 -6.369 421 HD3 ARG 58 1HD ARG 58 -22.360 0.490 -6.430 422 HE ARG 58 HE ARG 58 -21.237 2.889 -6.682 423 HH11 ARG 58 1HH2 ARG 58 -18.569 1.480 -7.182 424 HH12 ARG 58 2HH2 ARG 58 -18.520 1.474 -8.914 425 HH21 ARG 58 1HH1 ARG 58 -21.892 2.194 -9.278 426 HH22 ARG 58 2HH1 ARG 58 -20.402 1.878 -10.099 427 H HIS 59 H HIS 59 -20.034 -0.562 -1.036 428 HA HIS 59 HA HIS 59 -20.160 2.007 0.255 429 HB2 HIS 59 2HB HIS 59 -19.770 -0.825 1.277 430 HB3 HIS 59 1HB HIS 59 -20.173 0.554 2.300 431 HD1 HIS 59 1HD HIS 59 -21.863 1.216 -0.733 432 HD2 HIS 59 2HD HIS 59 -22.598 -1.404 2.426 433 HE1 HIS 59 1HE HIS 59 -24.315 0.598 -0.870 434 H GLU 60 H GLU 60 -17.500 0.262 -0.895 435 HA GLU 60 HA GLU 60 -15.667 1.663 1.024 436 HB2 GLU 60 2HB GLU 60 -15.783 -1.118 -0.099 437 HB3 GLU 60 1HB GLU 60 -14.211 -0.429 0.294 438 HG2 GLU 60 2HG GLU 60 -15.296 0.192 2.572 439 HG3 GLU 60 1HG GLU 60 -16.527 -0.992 2.134 440 H TYR 61 H TYR 61 -13.343 1.693 -0.111 441 HA TYR 61 HA TYR 61 -13.687 2.284 -3.027 442 HB2 TYR 61 2HB TYR 61 -12.360 4.320 -2.706 443 HB3 TYR 61 1HB TYR 61 -13.764 4.353 -1.647 444 HD1 TYR 61 2HD TYR 61 -13.407 3.350 0.755 445 HD2 TYR 61 1HD TYR 61 -10.228 4.695 -1.801 446 HE1 TYR 61 2HE TYR 61 -11.930 3.595 2.729 447 HE2 TYR 61 1HE TYR 61 -8.752 4.944 0.176 448 HH TYR 61 HH TYR 61 -9.586 5.285 3.066 449 H VAL 62 H VAL 62 -11.173 2.945 -3.692 450 HA VAL 62 HA VAL 62 -9.608 0.485 -3.010 451 HB VAL 62 HB VAL 62 -9.722 2.368 -5.378 452 HG11 VAL 62 1HG1 VAL 62 -7.517 0.692 -4.428 453 HG12 VAL 62 2HG1 VAL 62 -7.525 1.922 -5.693 454 HG13 VAL 62 3HG1 VAL 62 -8.030 0.273 -6.062 455 HG21 VAL 62 3HG2 VAL 62 -10.660 0.572 -6.530 456 HG22 VAL 62 1HG2 VAL 62 -11.322 0.318 -4.915 457 HG23 VAL 62 2HG2 VAL 62 -9.935 -0.625 -5.458 458 H ASP 63 H ASP 63 -8.669 1.448 -1.059 459 HA ASP 63 HA ASP 63 -7.465 3.877 -0.617 460 HB2 ASP 63 2HB ASP 63 -7.538 1.675 0.759 461 HB3 ASP 63 1HB ASP 63 -6.010 1.297 -0.037 462 H THR 64 H THR 64 -6.668 4.797 -2.590 463 HA THR 64 HA THR 64 -4.844 3.633 -4.411 464 HB THR 64 HB THR 64 -4.174 6.219 -4.529 465 HG1 THR 64 1HG THR 64 -5.267 7.404 -3.208 466 HG21 THR 64 3HG2 THR 64 -5.407 5.681 -6.357 467 HG22 THR 64 1HG2 THR 64 -6.744 6.401 -5.460 468 HG23 THR 64 2HG2 THR 64 -6.502 4.654 -5.429 469 H TYR 65 H TYR 65 -4.276 5.000 -1.225 470 HA TYR 65 HA TYR 65 -1.418 5.338 -1.463 471 HB2 TYR 65 2HB TYR 65 -3.152 6.279 0.219 472 HB3 TYR 65 1HB TYR 65 -2.957 4.745 1.065 473 HD1 TYR 65 1HD TYR 65 -0.919 7.522 -0.421 474 HD2 TYR 65 2HD TYR 65 -1.229 4.502 2.618 475 HE1 TYR 65 1HE TYR 65 1.177 8.349 0.614 476 HE2 TYR 65 2HE TYR 65 0.868 5.329 3.654 477 HH TYR 65 HH TYR 65 2.416 8.281 2.558 478 H TYR 66 H TYR 66 -3.393 2.762 0.065 479 HA TYR 66 HA TYR 66 -1.025 1.098 0.525 480 HB2 TYR 66 2HB TYR 66 -3.972 1.001 1.043 481 HB3 TYR 66 1HB TYR 66 -3.045 -0.496 1.163 482 HD1 TYR 66 2HD TYR 66 -3.429 2.937 2.498 483 HD2 TYR 66 1HD TYR 66 -1.438 -0.844 2.929 484 HE1 TYR 66 2HE TYR 66 -2.597 3.630 4.727 485 HE2 TYR 66 1HE TYR 66 -0.604 -0.151 5.157 486 HH TYR 66 HH TYR 66 -1.050 3.130 6.347 487 H SER 67 H SER 67 -3.036 1.631 -2.163 488 HA SER 67 HA SER 67 -3.438 -0.910 -3.306 489 HB2 SER 67 2HB SER 67 -2.969 1.876 -4.248 490 HB3 SER 67 1HB SER 67 -2.798 0.605 -5.455 491 HG SER 67 HG SER 67 -5.001 1.653 -4.804 492 H ALA 68 H ALA 68 -0.490 0.809 -2.697 493 HA ALA 68 HA ALA 68 1.209 -0.504 -4.620 494 HB1 ALA 68 1HB ALA 68 2.257 1.349 -3.802 495 HB2 ALA 68 2HB ALA 68 2.813 0.265 -2.527 496 HB3 ALA 68 3HB ALA 68 1.387 1.271 -2.270 497 H VAL 69 H VAL 69 0.727 -1.076 -1.088 498 HA VAL 69 HA VAL 69 2.444 -3.364 -0.999 499 HB VAL 69 HB VAL 69 1.637 -1.973 0.933 500 HG11 VAL 69 1HG1 VAL 69 -0.735 -3.496 1.480 501 HG12 VAL 69 2HG1 VAL 69 -0.899 -2.678 -0.072 502 HG13 VAL 69 3HG1 VAL 69 -0.542 -1.747 1.380 503 HG21 VAL 69 3HG2 VAL 69 0.998 -4.176 2.307 504 HG22 VAL 69 1HG2 VAL 69 2.643 -3.861 1.753 505 HG23 VAL 69 2HG2 VAL 69 1.591 -4.936 0.833 506 H CYS 70 H CYS 70 -0.979 -3.027 -1.845 507 HA CYS 70 HA CYS 70 -1.695 -5.801 -1.674 508 HB2 CYS 70 2HB CYS 70 -2.630 -3.455 -3.342 509 HB3 CYS 70 1HB CYS 70 -3.401 -5.035 -3.448 510 H GLY 71 H GLY 71 -0.626 -3.853 -4.487 511 HA2 GLY 71 2HA GLY 71 0.810 -4.565 -6.248 512 HA3 GLY 71 1HA GLY 71 0.797 -6.192 -5.566 513 H ARG 72 H ARG 72 -0.232 -7.638 -6.840 514 HA ARG 72 HA ARG 72 -1.656 -7.127 -9.185 515 HB2 ARG 72 2HB ARG 72 -0.819 -9.299 -7.819 516 HB3 ARG 72 1HB ARG 72 -2.546 -9.398 -7.474 517 HG2 ARG 72 2HG ARG 72 -2.452 -10.580 -9.469 518 HG3 ARG 72 1HG ARG 72 -2.763 -8.952 -10.076 519 HD2 ARG 72 2HD ARG 72 -0.437 -8.611 -10.606 520 HD3 ARG 72 1HD ARG 72 0.032 -10.094 -9.750 521 HE ARG 72 HE ARG 72 -1.668 -11.165 -11.504 522 HH11 ARG 72 1HH2 ARG 72 1.378 -9.972 -11.867 523 HH12 ARG 72 2HH2 ARG 72 1.293 -9.700 -13.577 524 HH21 ARG 72 1HH1 ARG 72 -2.129 -10.233 -13.759 525 HH22 ARG 72 2HH1 ARG 72 -0.693 -9.847 -14.646 526 H TYR 73 H TYR 73 -2.754 -6.826 -5.886 527 HA TYR 73 HA TYR 73 -5.547 -6.331 -6.869 528 HB2 TYR 73 2HB TYR 73 -4.469 -7.241 -4.180 529 HB3 TYR 73 1HB TYR 73 -6.173 -6.948 -4.529 530 HD1 TYR 73 1HD TYR 73 -6.480 -8.010 -7.238 531 HD2 TYR 73 2HD TYR 73 -4.251 -9.566 -3.914 532 HE1 TYR 73 1HE TYR 73 -6.681 -10.298 -8.175 533 HE2 TYR 73 2HE TYR 73 -4.451 -11.855 -4.849 534 HH TYR 73 HH TYR 73 -6.389 -12.488 -7.753 535 H PHE 74 H PHE 74 -6.694 -4.805 -5.151 536 HA PHE 74 HA PHE 74 -4.864 -2.475 -4.666 537 HB2 PHE 74 2HB PHE 74 -7.861 -2.319 -4.959 538 HB3 PHE 74 1HB PHE 74 -6.654 -1.085 -5.313 539 HD1 PHE 74 2HD PHE 74 -4.696 -2.638 -6.923 540 HD2 PHE 74 1HD PHE 74 -8.992 -2.624 -7.007 541 HE1 PHE 74 2HE PHE 74 -4.653 -3.369 -9.293 542 HE2 PHE 74 1HE PHE 74 -8.947 -3.355 -9.376 543 HZ PHE 74 HZ PHE 74 -6.778 -3.728 -10.519 544 H CYS 75 H CYS 75 -5.072 -1.426 -2.613 545 HA CYS 75 HA CYS 75 -6.124 -3.097 -0.452 546 HB2 CYS 75 2HB CYS 75 -4.083 -1.879 -0.077 547 HB3 CYS 75 1HB CYS 75 -4.803 -0.376 -0.652 548 H CYS 76 H CYS 76 -8.444 -3.111 -0.685 549 HA CYS 76 HA CYS 76 -9.910 -0.607 -1.046 550 HB2 CYS 76 2HB CYS 76 -10.881 -3.317 -0.121 551 HB3 CYS 76 1HB CYS 76 -11.835 -2.064 -0.904 552 H ARG 77 H ARG 77 -11.441 0.180 0.608 553 HA ARG 77 HA ARG 77 -11.002 -0.661 3.406 554 HB2 ARG 77 2HB ARG 77 -10.173 2.049 2.318 555 HB3 ARG 77 1HB ARG 77 -10.206 1.627 4.028 556 HG2 ARG 77 2HG ARG 77 -8.651 -0.310 3.433 557 HG3 ARG 77 1HG ARG 77 -8.447 0.465 1.863 558 HD2 ARG 77 2HD ARG 77 -6.692 1.085 3.621 559 HD3 ARG 77 1HD ARG 77 -7.536 2.462 2.886 560 HE ARG 77 HE ARG 77 -8.697 1.311 5.365 561 HH11 ARG 77 1HH2 ARG 77 -6.105 3.275 4.700 562 HH12 ARG 77 2HH2 ARG 77 -6.712 4.681 5.510 563 HH21 ARG 77 1HH1 ARG 77 -9.879 3.357 5.996 564 HH22 ARG 77 2HH1 ARG 77 -8.849 4.726 6.245 565 H SER 78 H SER 78 -12.122 1.319 4.784 566 HA SER 78 HA SER 78 -14.799 1.735 3.494 567 HB2 SER 78 2HB SER 78 -14.479 0.187 5.523 568 HB3 SER 78 1HB SER 78 -14.148 1.650 6.448 569 HG SER 78 HG SER 78 -16.252 2.331 5.303 570 H ARG 79 H ARG 79 -14.416 3.837 2.646 571 HA ARG 79 HA ARG 79 -13.120 5.954 4.129 572 HB2 ARG 79 2HB ARG 79 -13.482 5.649 1.604 573 HB3 ARG 79 1HB ARG 79 -15.130 6.217 1.882 574 HG2 ARG 79 2HG ARG 79 -14.320 8.315 1.696 575 HG3 ARG 79 1HG ARG 79 -13.531 8.054 3.252 576 HD2 ARG 79 2HD ARG 79 -11.951 6.783 1.214 577 HD3 ARG 79 1HD ARG 79 -12.270 8.462 0.733 578 HE ARG 79 HE ARG 79 -10.655 7.645 3.001 579 HH11 ARG 79 1HH2 ARG 79 -11.451 10.259 1.174 580 HH12 ARG 79 2HH2 ARG 79 -11.507 11.410 2.468 581 HH21 ARG 79 1HH1 ARG 79 -11.346 9.011 4.965 582 HH22 ARG 79 2HH1 ARG 79 -11.449 10.703 4.614 Start of MODEL 22 1 H1 ASN 1 1HT ASN 1 16.536 8.840 -8.776 2 H2 ASN 1 2HT ASN 1 16.087 8.183 -7.276 3 H3 ASN 1 3HT ASN 1 16.994 9.618 -7.341 4 HA ASN 1 HA ASN 1 15.082 10.741 -7.208 5 HB2 ASN 1 2HB ASN 1 15.321 9.599 -9.933 6 HB3 ASN 1 1HB ASN 1 13.727 10.236 -9.529 7 HD21 ASN 1 1HD2 ASN 1 16.390 11.227 -11.079 8 HD22 ASN 1 2HD2 ASN 1 16.447 12.860 -10.618 9 HA PRO 2 HA PRO 2 11.562 7.534 -7.563 10 HB2 PRO 2 2HB PRO 2 12.164 5.049 -8.540 11 HB3 PRO 2 1HB PRO 2 11.677 6.404 -9.578 12 HG2 PRO 2 2HG PRO 2 14.391 5.313 -9.044 13 HG3 PRO 2 1HG PRO 2 13.702 5.940 -10.548 14 HD2 PRO 2 2HD PRO 2 15.407 7.359 -8.952 15 HD3 PRO 2 1HD PRO 2 14.206 8.106 -10.029 16 H LEU 3 H LEU 3 12.174 7.707 -5.240 17 HA LEU 3 HA LEU 3 13.657 5.391 -4.108 18 HB2 LEU 3 2HB LEU 3 14.056 7.839 -3.513 19 HB3 LEU 3 1HB LEU 3 12.478 7.817 -2.726 20 HG LEU 3 HG LEU 3 14.472 7.363 -1.205 21 HD11 LEU 3 1HD1 LEU 3 12.969 6.335 0.124 22 HD12 LEU 3 2HD1 LEU 3 12.946 4.905 -0.909 23 HD13 LEU 3 3HD1 LEU 3 11.893 6.273 -1.271 24 HD21 LEU 3 3HD2 LEU 3 14.441 4.556 -2.226 25 HD22 LEU 3 1HD2 LEU 3 15.745 5.452 -1.448 26 HD23 LEU 3 2HD2 LEU 3 15.364 5.745 -3.144 27 H ILE 4 H ILE 4 12.670 4.011 -2.529 28 HA ILE 4 HA ILE 4 10.147 2.987 -2.902 29 HB ILE 4 HB ILE 4 11.932 3.333 -0.507 30 HG12 ILE 4 2HG1 ILE 4 12.328 1.668 -2.383 31 HG13 ILE 4 1HG1 ILE 4 12.237 0.961 -0.769 32 HG21 ILE 4 1HG2 ILE 4 10.053 1.451 0.300 33 HG22 ILE 4 2HG2 ILE 4 9.063 2.726 -0.406 34 HG23 ILE 4 3HG2 ILE 4 10.175 3.102 0.907 35 HD11 ILE 4 3HD1 ILE 4 10.887 -0.192 -2.647 36 HD12 ILE 4 1HD1 ILE 4 9.789 1.183 -2.520 37 HD13 ILE 4 2HD1 ILE 4 10.052 0.131 -1.128 38 HA PRO 5 HA PRO 5 7.301 6.138 -1.711 39 HB2 PRO 5 2HB PRO 5 5.121 4.548 -1.241 40 HB3 PRO 5 1HB PRO 5 5.702 4.920 -2.876 41 HG2 PRO 5 2HG PRO 5 6.134 2.483 -1.230 42 HG3 PRO 5 1HG PRO 5 5.798 2.627 -2.962 43 HD2 PRO 5 2HD PRO 5 8.285 2.167 -1.979 44 HD3 PRO 5 1HD PRO 5 7.992 3.059 -3.488 45 H ALA 6 H ALA 6 5.261 5.707 0.208 46 HA ALA 6 HA ALA 6 6.844 5.270 2.687 47 HB1 ALA 6 1HB ALA 6 4.349 6.932 2.521 48 HB2 ALA 6 2HB ALA 6 5.865 7.590 1.907 49 HB3 ALA 6 3HB ALA 6 5.732 7.118 3.600 50 H ILE 7 H ILE 7 4.015 4.438 0.880 51 HA ILE 7 HA ILE 7 2.279 3.447 2.870 52 HB ILE 7 HB ILE 7 1.423 3.557 0.693 53 HG12 ILE 7 2HG1 ILE 7 0.790 1.310 0.064 54 HG13 ILE 7 1HG1 ILE 7 2.188 0.631 0.897 55 HG21 ILE 7 1HG2 ILE 7 4.130 2.826 -0.036 56 HG22 ILE 7 2HG2 ILE 7 2.892 3.614 -1.013 57 HG23 ILE 7 3HG2 ILE 7 2.967 1.854 -0.937 58 HD11 ILE 7 3HD1 ILE 7 -0.266 1.909 2.092 59 HD12 ILE 7 1HD1 ILE 7 1.226 1.751 3.017 60 HD13 ILE 7 2HD1 ILE 7 0.407 0.312 2.414 61 H TYR 8 H TYR 8 4.948 1.743 1.215 62 HA TYR 8 HA TYR 8 4.593 -0.816 2.351 63 HB2 TYR 8 2HB TYR 8 7.113 0.709 1.620 64 HB3 TYR 8 1HB TYR 8 7.024 -1.038 1.844 65 HD1 TYR 8 2HD TYR 8 4.279 -1.505 0.668 66 HD2 TYR 8 1HD TYR 8 7.608 0.831 -0.717 67 HE1 TYR 8 2HE TYR 8 3.483 -1.754 -1.662 68 HE2 TYR 8 1HE TYR 8 6.808 0.582 -3.049 69 HH TYR 8 HH TYR 8 4.297 0.104 -4.092 70 H ILE 9 H ILE 9 5.800 2.121 3.830 71 HA ILE 9 HA ILE 9 7.274 0.987 5.991 72 HB ILE 9 HB ILE 9 5.604 3.509 5.747 73 HG12 ILE 9 2HG1 ILE 9 8.572 2.967 5.407 74 HG13 ILE 9 1HG1 ILE 9 7.433 3.336 4.112 75 HG21 ILE 9 1HG2 ILE 9 6.063 3.922 7.911 76 HG22 ILE 9 2HG2 ILE 9 7.788 3.775 7.571 77 HG23 ILE 9 3HG2 ILE 9 6.857 2.353 8.043 78 HD11 ILE 9 3HD1 ILE 9 8.549 5.394 4.642 79 HD12 ILE 9 1HD1 ILE 9 8.304 5.152 6.371 80 HD13 ILE 9 2HD1 ILE 9 6.928 5.510 5.328 81 H GLY 10 H GLY 10 6.573 -0.198 7.709 82 HA2 GLY 10 2HA GLY 10 5.093 -1.275 9.181 83 HA3 GLY 10 1HA GLY 10 4.217 0.260 9.206 84 H ALA 11 H ALA 11 4.795 -1.608 6.291 85 HA ALA 11 HA ALA 11 1.823 -2.026 6.081 86 HB1 ALA 11 1HB ALA 11 3.517 -2.259 3.677 87 HB2 ALA 11 2HB ALA 11 3.585 -0.681 4.461 88 HB3 ALA 11 3HB ALA 11 2.037 -1.330 3.922 89 H THR 12 H THR 12 1.643 -3.908 4.151 90 HA THR 12 HA THR 12 3.416 -6.192 4.904 91 HB THR 12 HB THR 12 0.407 -6.008 5.213 92 HG1 THR 12 1HG THR 12 1.914 -5.392 6.928 93 HG21 THR 12 3HG2 THR 12 2.076 -8.510 5.531 94 HG22 THR 12 1HG2 THR 12 1.197 -8.135 4.049 95 HG23 THR 12 2HG2 THR 12 0.319 -8.371 5.558 96 H VAL 13 H VAL 13 4.175 -6.067 2.671 97 HA VAL 13 HA VAL 13 2.227 -6.278 0.473 98 HB VAL 13 HB VAL 13 4.191 -6.095 -0.892 99 HG11 VAL 13 1HG1 VAL 13 5.270 -4.642 1.471 100 HG12 VAL 13 2HG1 VAL 13 3.632 -4.232 0.967 101 HG13 VAL 13 3HG1 VAL 13 4.971 -4.060 -0.165 102 HG21 VAL 13 3HG2 VAL 13 6.480 -6.419 0.113 103 HG22 VAL 13 1HG2 VAL 13 5.516 -7.894 0.049 104 HG23 VAL 13 2HG2 VAL 13 5.695 -7.023 1.572 105 H GLY 14 H GLY 14 2.791 -8.134 -1.196 106 HA2 GLY 14 2HA GLY 14 2.575 -10.677 0.291 107 HA3 GLY 14 1HA GLY 14 2.298 -10.463 -1.439 108 HA PRO 15 HA PRO 15 6.478 -12.343 -0.859 109 HB2 PRO 15 2HB PRO 15 6.108 -14.359 -2.675 110 HB3 PRO 15 1HB PRO 15 5.657 -14.504 -0.964 111 HG2 PRO 15 2HG PRO 15 3.943 -13.949 -3.332 112 HG3 PRO 15 1HG PRO 15 3.608 -14.934 -1.899 113 HD2 PRO 15 2HD PRO 15 2.633 -12.409 -2.259 114 HD3 PRO 15 1HD PRO 15 2.919 -13.138 -0.664 115 H SER 16 H SER 16 4.607 -12.062 -3.901 116 HA SER 16 HA SER 16 6.843 -11.684 -5.645 117 HB2 SER 16 2HB SER 16 3.979 -11.682 -5.697 118 HB3 SER 16 1HB SER 16 4.540 -10.243 -6.544 119 HG SER 16 HG SER 16 5.298 -11.467 -8.077 120 H VAL 17 H VAL 17 4.703 -9.298 -4.033 121 HA VAL 17 HA VAL 17 5.949 -6.947 -5.043 122 HB VAL 17 HB VAL 17 4.628 -7.477 -2.359 123 HG11 VAL 17 1HG1 VAL 17 5.699 -5.332 -2.302 124 HG12 VAL 17 2HG1 VAL 17 3.994 -5.025 -2.633 125 HG13 VAL 17 3HG1 VAL 17 5.174 -4.955 -3.943 126 HG21 VAL 17 3HG2 VAL 17 3.434 -8.061 -4.633 127 HG22 VAL 17 1HG2 VAL 17 3.266 -6.312 -4.773 128 HG23 VAL 17 2HG2 VAL 17 2.557 -7.158 -3.398 129 H TRP 18 H TRP 18 6.503 -8.654 -1.942 130 HA TRP 18 HA TRP 18 8.527 -7.129 -0.819 131 HB2 TRP 18 2HB TRP 18 7.556 -9.172 0.146 132 HB3 TRP 18 1HB TRP 18 8.346 -10.148 -1.090 133 HD1 TRP 18 HD TRP 18 11.023 -10.329 -0.997 134 HE1 TRP 18 1HE TRP 18 12.667 -10.079 0.974 135 HE3 TRP 18 3HE TRP 18 8.009 -7.949 2.370 136 HZ2 TRP 18 2HZ TRP 18 12.699 -9.012 3.627 137 HZ3 TRP 18 3HZ TRP 18 8.871 -7.329 4.608 138 HH2 TRP 18 HH TRP 18 11.210 -7.855 5.241 139 H ALA 19 H ALA 19 9.278 -9.989 -2.833 140 HA ALA 19 HA ALA 19 11.972 -9.612 -3.290 141 HB1 ALA 19 1HB ALA 19 11.358 -10.581 -5.633 142 HB2 ALA 19 2HB ALA 19 9.700 -10.554 -5.031 143 HB3 ALA 19 3HB ALA 19 10.925 -11.518 -4.204 144 H TYR 20 H TYR 20 9.319 -7.934 -4.964 145 HA TYR 20 HA TYR 20 10.899 -6.526 -6.887 146 HB2 TYR 20 2HB TYR 20 8.385 -6.838 -6.764 147 HB3 TYR 20 1HB TYR 20 8.363 -5.606 -5.503 148 HD1 TYR 20 1HD TYR 20 9.058 -3.275 -6.008 149 HD2 TYR 20 2HD TYR 20 8.747 -6.264 -9.077 150 HE1 TYR 20 1HE TYR 20 9.081 -1.499 -7.739 151 HE2 TYR 20 2HE TYR 20 8.770 -4.488 -10.808 152 HH TYR 20 HH TYR 20 9.761 -1.402 -10.260 153 H LEU 21 H LEU 21 9.438 -5.135 -3.921 154 HA LEU 21 HA LEU 21 10.713 -2.698 -3.789 155 HB2 LEU 21 2HB LEU 21 9.065 -3.962 -2.210 156 HB3 LEU 21 1HB LEU 21 10.524 -4.499 -1.379 157 HG LEU 21 HG LEU 21 9.608 -1.646 -1.821 158 HD11 LEU 21 1HD1 LEU 21 10.160 -1.882 0.808 159 HD12 LEU 21 2HD1 LEU 21 9.724 -3.555 0.460 160 HD13 LEU 21 3HD1 LEU 21 8.574 -2.257 0.136 161 HD21 LEU 21 3HD2 LEU 21 11.722 -1.073 -0.554 162 HD22 LEU 21 1HD2 LEU 21 11.996 -1.677 -2.188 163 HD23 LEU 21 2HD2 LEU 21 12.246 -2.738 -0.802 164 H VAL 22 H VAL 22 12.051 -5.741 -2.431 165 HA VAL 22 HA VAL 22 14.505 -4.840 -1.477 166 HB VAL 22 HB VAL 22 13.775 -7.354 -3.004 167 HG11 VAL 22 1HG1 VAL 22 15.773 -8.221 -1.526 168 HG12 VAL 22 2HG1 VAL 22 16.273 -6.530 -1.550 169 HG13 VAL 22 3HG1 VAL 22 16.109 -7.423 -3.063 170 HG21 VAL 22 3HG2 VAL 22 12.553 -7.665 -1.115 171 HG22 VAL 22 1HG2 VAL 22 13.373 -6.354 -0.268 172 HG23 VAL 22 2HG2 VAL 22 14.103 -7.959 -0.327 173 H ALA 23 H ALA 23 13.835 -5.920 -4.813 174 HA ALA 23 HA ALA 23 16.346 -5.489 -5.979 175 HB1 ALA 23 1HB ALA 23 13.817 -4.656 -7.373 176 HB2 ALA 23 2HB ALA 23 14.002 -6.332 -6.860 177 HB3 ALA 23 3HB ALA 23 15.155 -5.624 -7.989 178 H LEU 24 H LEU 24 13.704 -3.112 -5.556 179 HA LEU 24 HA LEU 24 14.999 -0.884 -6.756 180 HB2 LEU 24 2HB LEU 24 12.571 -1.397 -5.797 181 HB3 LEU 24 1HB LEU 24 13.218 -0.599 -4.365 182 HG LEU 24 HG LEU 24 13.794 1.378 -5.675 183 HD11 LEU 24 1HD1 LEU 24 13.469 -0.493 -7.865 184 HD12 LEU 24 2HD1 LEU 24 14.229 1.098 -7.868 185 HD13 LEU 24 3HD1 LEU 24 12.492 0.950 -8.133 186 HD21 LEU 24 3HD2 LEU 24 11.677 1.986 -5.180 187 HD22 LEU 24 1HD2 LEU 24 11.100 0.332 -5.390 188 HD23 LEU 24 2HD2 LEU 24 11.208 1.411 -6.780 189 H VAL 25 H VAL 25 15.076 -2.127 -3.427 190 HA VAL 25 HA VAL 25 17.365 -0.272 -2.878 191 HB VAL 25 HB VAL 25 15.616 0.628 -1.611 192 HG11 VAL 25 1HG1 VAL 25 14.608 -2.168 -1.626 193 HG12 VAL 25 2HG1 VAL 25 13.734 -0.653 -1.849 194 HG13 VAL 25 3HG1 VAL 25 14.179 -1.184 -0.227 195 HG21 VAL 25 3HG2 VAL 25 17.588 -0.786 -0.226 196 HG22 VAL 25 1HG2 VAL 25 16.084 -1.210 0.592 197 HG23 VAL 25 2HG2 VAL 25 16.553 0.482 0.424 198 H GLY 26 H GLY 26 16.096 -2.684 -0.634 199 HA2 GLY 26 2HA GLY 26 17.672 -4.913 -1.303 200 HA3 GLY 26 1HA GLY 26 18.675 -3.888 -0.276 201 H ALA 27 H ALA 27 18.060 -6.328 0.738 202 HA ALA 27 HA ALA 27 15.619 -6.519 2.212 203 HB1 ALA 27 1HB ALA 27 18.036 -7.762 3.354 204 HB2 ALA 27 2HB ALA 27 17.801 -8.087 1.637 205 HB3 ALA 27 3HB ALA 27 16.543 -8.519 2.797 206 H ALA 28 H ALA 28 18.503 -4.663 2.765 207 HA ALA 28 HA ALA 28 18.281 -4.438 5.633 208 HB1 ALA 28 1HB ALA 28 19.659 -2.929 3.411 209 HB2 ALA 28 2HB ALA 28 20.382 -3.976 4.631 210 HB3 ALA 28 3HB ALA 28 19.774 -2.385 5.085 211 H ALA 29 H ALA 29 17.682 -1.966 3.107 212 HA ALA 29 HA ALA 29 16.207 -0.208 4.822 213 HB1 ALA 29 1HB ALA 29 16.315 1.057 2.939 214 HB2 ALA 29 2HB ALA 29 15.437 -0.155 2.005 215 HB3 ALA 29 3HB ALA 29 17.185 -0.287 2.199 216 H VAL 30 H VAL 30 15.350 -3.129 3.141 217 HA VAL 30 HA VAL 30 12.483 -2.686 3.053 218 HB VAL 30 HB VAL 30 14.358 -5.042 2.806 219 HG11 VAL 30 1HG1 VAL 30 11.329 -5.026 2.663 220 HG12 VAL 30 2HG1 VAL 30 12.330 -5.949 3.783 221 HG13 VAL 30 3HG1 VAL 30 12.338 -6.342 2.063 222 HG21 VAL 30 3HG2 VAL 30 14.072 -4.772 0.530 223 HG22 VAL 30 1HG2 VAL 30 13.818 -3.102 1.038 224 HG23 VAL 30 2HG2 VAL 30 12.433 -4.143 0.706 225 H THR 31 H THR 31 14.747 -4.125 5.375 226 HA THR 31 HA THR 31 12.578 -5.117 7.106 227 HB THR 31 HB THR 31 15.548 -4.861 7.657 228 HG1 THR 31 1HG THR 31 14.387 -7.185 6.634 229 HG21 THR 31 3HG2 THR 31 13.531 -6.917 8.589 230 HG22 THR 31 1HG2 THR 31 13.972 -5.489 9.524 231 HG23 THR 31 2HG2 THR 31 15.187 -6.714 9.159 232 H ALA 32 H ALA 32 14.655 -2.298 6.845 233 HA ALA 32 HA ALA 32 14.147 -1.320 9.550 234 HB1 ALA 32 1HB ALA 32 16.012 -0.233 8.867 235 HB2 ALA 32 2HB ALA 32 14.967 0.780 7.870 236 HB3 ALA 32 3HB ALA 32 15.707 -0.666 7.184 237 H ALA 33 H ALA 33 12.608 -1.038 6.415 238 HA ALA 33 HA ALA 33 10.967 1.282 7.141 239 HB1 ALA 33 1HB ALA 33 9.835 0.119 4.928 240 HB2 ALA 33 2HB ALA 33 11.485 -0.499 4.840 241 HB3 ALA 33 3HB ALA 33 11.195 1.241 4.868 242 H ASN 34 H ASN 34 10.919 -1.830 8.210 243 HA ASN 34 HA ASN 34 9.269 -3.156 9.241 244 HB2 ASN 34 2HB ASN 34 8.890 -0.980 10.351 245 HB3 ASN 34 1HB ASN 34 7.785 -0.516 9.061 246 HD21 ASN 34 1HD2 ASN 34 7.629 -3.883 9.844 247 HD22 ASN 34 2HD2 ASN 34 6.222 -3.816 10.789 248 H ILE 35 H ILE 35 9.158 -4.290 7.095 249 HA ILE 35 HA ILE 35 6.505 -3.853 5.754 250 HB ILE 35 HB ILE 35 9.226 -4.707 4.726 251 HG12 ILE 35 2HG1 ILE 35 7.845 -2.745 3.150 252 HG13 ILE 35 1HG1 ILE 35 7.800 -2.241 4.840 253 HG21 ILE 35 1HG2 ILE 35 7.960 -6.146 3.448 254 HG22 ILE 35 2HG2 ILE 35 7.738 -4.679 2.493 255 HG23 ILE 35 3HG2 ILE 35 6.492 -5.187 3.632 256 HD11 ILE 35 3HD1 ILE 35 10.360 -3.230 3.592 257 HD12 ILE 35 1HD1 ILE 35 10.150 -2.223 5.025 258 HD13 ILE 35 2HD1 ILE 35 9.860 -1.547 3.422 259 H ARG 36 H ARG 36 5.215 -5.714 5.548 260 HA ARG 36 HA ARG 36 6.350 -8.235 6.715 261 HB2 ARG 36 2HB ARG 36 3.703 -6.824 6.877 262 HB3 ARG 36 1HB ARG 36 3.773 -8.567 7.137 263 HG2 ARG 36 2HG ARG 36 5.837 -7.806 8.702 264 HG3 ARG 36 1HG ARG 36 4.838 -6.356 8.816 265 HD2 ARG 36 2HD ARG 36 3.202 -7.426 10.014 266 HD3 ARG 36 1HD ARG 36 3.387 -8.937 9.101 267 HE ARG 36 HE ARG 36 5.775 -8.508 10.591 268 HH11 ARG 36 1HH2 ARG 36 2.696 -8.179 11.833 269 HH12 ARG 36 2HH2 ARG 36 2.803 -9.501 12.948 270 HH21 ARG 36 1HH1 ARG 36 5.813 -10.670 11.686 271 HH22 ARG 36 2HH1 ARG 36 4.567 -10.911 12.864 272 H ARG 37 H ARG 37 5.672 -10.229 5.723 273 HA ARG 37 HA ARG 37 4.782 -9.918 2.881 274 HB2 ARG 37 2HB ARG 37 6.577 -11.784 4.407 275 HB3 ARG 37 1HB ARG 37 5.838 -12.339 2.904 276 HG2 ARG 37 2HG ARG 37 6.877 -10.619 1.632 277 HG3 ARG 37 1HG ARG 37 7.320 -9.714 3.079 278 HD2 ARG 37 2HD ARG 37 9.206 -11.072 1.951 279 HD3 ARG 37 1HD ARG 37 8.988 -11.334 3.693 280 HE ARG 37 HE ARG 37 7.784 -13.134 1.620 281 HH11 ARG 37 1HH2 ARG 37 10.371 -13.232 3.590 282 HH12 ARG 37 2HH2 ARG 37 9.847 -14.546 4.589 283 HH21 ARG 37 1HH1 ARG 37 6.598 -14.520 3.377 284 HH22 ARG 37 2HH1 ARG 37 7.711 -15.275 4.468 285 H ALA 38 H ALA 38 2.866 -10.892 2.281 286 HA ALA 38 HA ALA 38 1.454 -12.530 4.352 287 HB1 ALA 38 1HB ALA 38 0.167 -10.636 3.871 288 HB2 ALA 38 2HB ALA 38 -0.509 -11.813 2.743 289 HB3 ALA 38 3HB ALA 38 0.656 -10.616 2.177 290 H SER 39 H SER 39 -0.150 -14.142 3.247 291 HA SER 39 HA SER 39 1.205 -16.190 1.915 292 HB2 SER 39 2HB SER 39 -1.092 -16.949 1.319 293 HB3 SER 39 1HB SER 39 -0.999 -16.379 2.983 294 HG SER 39 HG SER 39 -2.669 -15.568 1.211 295 H SER 40 H SER 40 -0.198 -13.267 0.556 296 HA SER 40 HA SER 40 1.202 -13.678 -1.972 297 HB2 SER 40 2HB SER 40 -1.787 -14.075 -1.717 298 HB3 SER 40 1HB SER 40 -1.011 -13.723 -3.259 299 HG SER 40 HG SER 40 -1.166 -15.952 -2.969 300 H ASP 41 H ASP 41 -0.228 -11.981 -3.606 301 HA ASP 41 HA ASP 41 0.404 -9.376 -2.579 302 HB2 ASP 41 2HB ASP 41 -1.203 -10.446 -4.912 303 HB3 ASP 41 1HB ASP 41 -0.931 -8.720 -4.675 304 H ASN 42 H ASN 42 -2.265 -11.412 -1.996 305 HA ASN 42 HA ASN 42 -4.149 -9.170 -1.494 306 HB2 ASN 42 2HB ASN 42 -4.234 -12.039 -2.069 307 HB3 ASN 42 1HB ASN 42 -5.331 -11.581 -0.765 308 HD21 ASN 42 1HD2 ASN 42 -6.698 -12.360 -2.940 309 HD22 ASN 42 2HD2 ASN 42 -7.283 -11.048 -3.844 310 H HIS 43 H HIS 43 -3.635 -8.188 0.478 311 HA HIS 43 HA HIS 43 -3.718 -9.933 2.889 312 HB2 HIS 43 2HB HIS 43 -1.712 -8.471 3.694 313 HB3 HIS 43 1HB HIS 43 -1.391 -9.791 2.573 314 HD1 HIS 43 1HD HIS 43 -1.418 -6.055 2.819 315 HD2 HIS 43 2HD HIS 43 -0.762 -8.964 -0.092 316 HE1 HIS 43 1HE HIS 43 -0.312 -4.870 0.859 317 H SER 44 H SER 44 -3.549 -8.317 4.899 318 HA SER 44 HA SER 44 -5.674 -6.297 4.485 319 HB2 SER 44 2HB SER 44 -4.941 -8.134 6.474 320 HB3 SER 44 1HB SER 44 -4.550 -6.561 7.162 321 HG SER 44 HG SER 44 -6.681 -6.939 7.602 322 H CYS 45 H CYS 45 -5.333 -4.060 4.980 323 HA CYS 45 HA CYS 45 -2.536 -3.245 5.627 324 HB2 CYS 45 2HB CYS 45 -2.767 -1.556 3.760 325 HB3 CYS 45 1HB CYS 45 -2.675 -3.226 3.229 326 H ALA 46 H ALA 46 -2.637 -0.642 5.713 327 HA ALA 46 HA ALA 46 -3.362 1.119 7.136 328 HB1 ALA 46 1HB ALA 46 -5.844 1.573 6.689 329 HB2 ALA 46 2HB ALA 46 -5.841 0.099 5.721 330 HB3 ALA 46 3HB ALA 46 -4.820 1.460 5.257 331 H GLY 47 H GLY 47 -3.027 -1.338 8.520 332 HA2 GLY 47 2HA GLY 47 -3.541 -2.167 10.667 333 HA3 GLY 47 1HA GLY 47 -4.761 -0.900 10.812 334 H ASN 48 H ASN 48 -6.144 -2.662 11.726 335 HA ASN 48 HA ASN 48 -7.007 -4.786 9.913 336 HB2 ASN 48 2HB ASN 48 -8.287 -5.500 11.820 337 HB3 ASN 48 1HB ASN 48 -6.749 -4.902 12.444 338 HD21 ASN 48 1HD2 ASN 48 -9.939 -4.804 13.184 339 HD22 ASN 48 2HD2 ASN 48 -10.045 -3.260 13.881 340 H ARG 49 H ARG 49 -7.466 -2.155 8.830 341 HA ARG 49 HA ARG 49 -10.445 -1.951 8.997 342 HB2 ARG 49 2HB ARG 49 -8.194 0.024 8.725 343 HB3 ARG 49 1HB ARG 49 -9.816 0.451 8.191 344 HG2 ARG 49 2HG ARG 49 -10.082 -0.781 10.734 345 HG3 ARG 49 1HG ARG 49 -8.776 0.396 10.865 346 HD2 ARG 49 2HD ARG 49 -10.218 2.149 10.716 347 HD3 ARG 49 1HD ARG 49 -11.075 1.416 9.344 348 HE ARG 49 HE ARG 49 -11.523 0.457 12.146 349 HH11 ARG 49 1HH1 ARG 49 -13.343 2.648 11.453 350 HH12 ARG 49 2HH1 ARG 49 -14.682 1.836 10.711 351 HH21 ARG 49 1HH2 ARG 49 -12.930 -1.103 10.148 352 HH22 ARG 49 2HH2 ARG 49 -14.448 -0.287 9.974 353 H GLY 50 H GLY 50 -7.626 -2.023 6.843 354 HA2 GLY 50 2HA GLY 50 -9.533 -2.063 4.535 355 HA3 GLY 50 1HA GLY 50 -7.867 -1.500 4.416 356 H TRP 51 H TRP 51 -8.982 -3.536 2.768 357 HA TRP 51 HA TRP 51 -7.212 -5.827 3.517 358 HB2 TRP 51 2HB TRP 51 -10.147 -5.692 3.251 359 HB3 TRP 51 1HB TRP 51 -9.412 -6.996 2.321 360 HD1 TRP 51 HD TRP 51 -10.863 -6.511 5.532 361 HE1 TRP 51 1HE TRP 51 -9.929 -8.141 7.298 362 HE3 TRP 51 3HE TRP 51 -6.671 -8.129 3.107 363 HZ2 TRP 51 2HZ TRP 51 -7.697 -9.899 7.636 364 HZ3 TRP 51 3HZ TRP 51 -5.161 -9.775 4.172 365 HH2 TRP 51 HH TRP 51 -5.667 -10.664 6.431 366 H CYS 52 H CYS 52 -6.895 -7.260 1.473 367 HA CYS 52 HA CYS 52 -6.846 -5.476 -0.936 368 HB2 CYS 52 2HB CYS 52 -4.739 -6.440 0.288 369 HB3 CYS 52 1HB CYS 52 -5.173 -7.944 -0.527 370 H ARG 53 H ARG 53 -8.410 -6.027 -2.380 371 HA ARG 53 HA ARG 53 -8.925 -8.938 -2.895 372 HB2 ARG 53 2HB ARG 53 -11.058 -6.811 -3.058 373 HB3 ARG 53 1HB ARG 53 -11.257 -8.544 -2.845 374 HG2 ARG 53 2HG ARG 53 -11.447 -8.169 -0.638 375 HG3 ARG 53 1HG ARG 53 -9.746 -7.707 -0.631 376 HD2 ARG 53 2HD ARG 53 -10.485 -5.379 -1.334 377 HD3 ARG 53 1HD ARG 53 -12.146 -5.893 -0.984 378 HE ARG 53 HE ARG 53 -9.956 -5.689 1.021 379 HH11 ARG 53 1HH1 ARG 53 -11.713 -7.963 1.713 380 HH12 ARG 53 2HH1 ARG 53 -12.964 -7.213 2.649 381 HH21 ARG 53 1HH2 ARG 53 -12.220 -4.006 1.559 382 HH22 ARG 53 2HH2 ARG 53 -13.251 -4.973 2.561 383 H SER 54 H SER 54 -9.775 -9.285 -5.143 384 HA SER 54 HA SER 54 -8.329 -7.961 -7.167 385 HB2 SER 54 2HB SER 54 -9.329 -9.665 -8.276 386 HB3 SER 54 1HB SER 54 -10.364 -9.946 -6.879 387 HG SER 54 HG SER 54 -11.892 -9.289 -8.163 388 H LYS 55 H LYS 55 -11.640 -7.372 -6.024 389 HA LYS 55 HA LYS 55 -11.467 -4.588 -7.084 390 HB2 LYS 55 2HB LYS 55 -12.911 -5.340 -8.680 391 HB3 LYS 55 1HB LYS 55 -13.201 -6.845 -7.819 392 HG2 LYS 55 2HG LYS 55 -14.796 -5.711 -6.338 393 HG3 LYS 55 1HG LYS 55 -14.502 -4.182 -7.168 394 HD2 LYS 55 2HD LYS 55 -15.179 -6.359 -9.008 395 HD3 LYS 55 1HD LYS 55 -16.461 -6.023 -7.844 396 HE2 LYS 55 2HE LYS 55 -16.542 -3.692 -8.493 397 HE3 LYS 55 1HE LYS 55 -15.099 -3.879 -9.510 398 HZ1 LYS 55 3HZ LYS 55 -17.354 -5.703 -9.932 399 HZ2 LYS 55 1HZ LYS 55 -16.218 -5.120 -11.047 400 HZ3 LYS 55 2HZ LYS 55 -17.489 -4.119 -10.530 401 H CYS 56 H CYS 56 -13.086 -3.154 -5.909 402 HA CYS 56 HA CYS 56 -13.414 -4.091 -3.088 403 HB2 CYS 56 2HB CYS 56 -13.658 -1.282 -4.188 404 HB3 CYS 56 1HB CYS 56 -13.333 -1.767 -2.526 405 H PHE 57 H PHE 57 -15.439 -3.145 -1.990 406 HA PHE 57 HA PHE 57 -17.794 -3.821 -3.632 407 HB2 PHE 57 2HB PHE 57 -17.247 -3.171 -0.729 408 HB3 PHE 57 1HB PHE 57 -18.882 -3.430 -1.334 409 HD1 PHE 57 1HD PHE 57 -15.488 -5.033 -1.474 410 HD2 PHE 57 2HD PHE 57 -19.744 -5.594 -1.301 411 HE1 PHE 57 1HE PHE 57 -15.160 -7.486 -1.320 412 HE2 PHE 57 2HE PHE 57 -19.414 -8.047 -1.146 413 HZ PHE 57 HZ PHE 57 -17.123 -8.993 -1.156 414 H ARG 58 H ARG 58 -19.791 -2.268 -2.993 415 HA ARG 58 HA ARG 58 -19.196 0.320 -4.150 416 HB2 ARG 58 2HB ARG 58 -21.324 -1.302 -4.131 417 HB3 ARG 58 1HB ARG 58 -21.764 -0.293 -2.753 418 HG2 ARG 58 2HG ARG 58 -21.879 1.655 -4.045 419 HG3 ARG 58 1HG ARG 58 -20.849 0.990 -5.314 420 HD2 ARG 58 2HD ARG 58 -23.018 0.903 -6.270 421 HD3 ARG 58 1HD ARG 58 -22.795 -0.741 -5.638 422 HE ARG 58 HE ARG 58 -23.867 0.437 -3.470 423 HH11 ARG 58 1HH2 ARG 58 -24.940 -0.246 -6.603 424 HH12 ARG 58 2HH2 ARG 58 -26.488 0.508 -6.415 425 HH21 ARG 58 1HH1 ARG 58 -25.756 1.837 -3.297 426 HH22 ARG 58 2HH1 ARG 58 -26.951 1.687 -4.542 427 H HIS 59 H HIS 59 -19.995 -0.877 -0.907 428 HA HIS 59 HA HIS 59 -20.111 1.759 0.317 429 HB2 HIS 59 2HB HIS 59 -20.787 -0.871 0.936 430 HB3 HIS 59 1HB HIS 59 -19.454 -0.520 2.036 431 HD1 HIS 59 1HD HIS 59 -20.377 2.671 1.949 432 HD2 HIS 59 2HD HIS 59 -22.573 -0.636 3.224 433 HE1 HIS 59 1HE HIS 59 -22.163 3.556 3.513 434 H GLU 60 H GLU 60 -17.550 0.109 -1.007 435 HA GLU 60 HA GLU 60 -15.605 1.408 0.866 436 HB2 GLU 60 2HB GLU 60 -15.879 -1.385 -0.167 437 HB3 GLU 60 1HB GLU 60 -14.251 -0.750 0.054 438 HG2 GLU 60 2HG GLU 60 -14.799 -0.167 2.396 439 HG3 GLU 60 1HG GLU 60 -16.418 -0.829 2.171 440 H TYR 61 H TYR 61 -13.329 1.365 -0.346 441 HA TYR 61 HA TYR 61 -13.707 1.860 -3.270 442 HB2 TYR 61 2HB TYR 61 -12.472 3.966 -3.034 443 HB3 TYR 61 1HB TYR 61 -13.883 3.982 -1.983 444 HD1 TYR 61 2HD TYR 61 -13.479 3.047 0.465 445 HD2 TYR 61 1HD TYR 61 -10.387 4.509 -2.134 446 HE1 TYR 61 2HE TYR 61 -12.011 3.429 2.426 447 HE2 TYR 61 1HE TYR 61 -8.920 4.892 -0.172 448 HH TYR 61 HH TYR 61 -8.642 4.360 2.044 449 H VAL 62 H VAL 62 -11.199 2.622 -3.933 450 HA VAL 62 HA VAL 62 -9.552 0.238 -3.187 451 HB VAL 62 HB VAL 62 -9.678 2.138 -5.538 452 HG11 VAL 62 1HG1 VAL 62 -7.801 0.276 -6.248 453 HG12 VAL 62 2HG1 VAL 62 -7.405 0.532 -4.548 454 HG13 VAL 62 3HG1 VAL 62 -7.416 1.896 -5.666 455 HG21 VAL 62 3HG2 VAL 62 -10.233 0.173 -6.783 456 HG22 VAL 62 1HG2 VAL 62 -11.199 0.095 -5.309 457 HG23 VAL 62 2HG2 VAL 62 -9.741 -0.886 -5.461 458 H ASP 63 H ASP 63 -8.685 1.158 -1.197 459 HA ASP 63 HA ASP 63 -7.620 3.651 -0.676 460 HB2 ASP 63 2HB ASP 63 -7.660 1.366 0.630 461 HB3 ASP 63 1HB ASP 63 -6.035 1.176 -0.027 462 H THR 64 H THR 64 -6.740 4.648 -2.561 463 HA THR 64 HA THR 64 -4.827 3.550 -4.338 464 HB THR 64 HB THR 64 -4.262 6.114 -4.518 465 HG1 THR 64 1HG THR 64 -5.243 7.310 -3.123 466 HG21 THR 64 3HG2 THR 64 -5.614 5.217 -6.208 467 HG22 THR 64 1HG2 THR 64 -6.663 6.440 -5.490 468 HG23 THR 64 2HG2 THR 64 -6.878 4.740 -5.074 469 H TYR 65 H TYR 65 -4.392 5.069 -1.170 470 HA TYR 65 HA TYR 65 -1.545 5.427 -1.309 471 HB2 TYR 65 2HB TYR 65 -3.428 6.272 0.325 472 HB3 TYR 65 1HB TYR 65 -3.042 4.803 1.219 473 HD1 TYR 65 1HD TYR 65 -0.251 4.416 1.089 474 HD2 TYR 65 2HD TYR 65 -2.385 8.141 1.247 475 HE1 TYR 65 1HE TYR 65 1.750 5.521 2.051 476 HE2 TYR 65 2HE TYR 65 -0.385 9.246 2.209 477 HH TYR 65 HH TYR 65 2.694 7.763 2.246 478 H TYR 66 H TYR 66 -3.544 2.764 0.009 479 HA TYR 66 HA TYR 66 -1.123 1.182 0.597 480 HB2 TYR 66 2HB TYR 66 -4.085 0.976 1.059 481 HB3 TYR 66 1HB TYR 66 -3.060 -0.443 1.293 482 HD1 TYR 66 1HD TYR 66 -1.333 -0.489 3.020 483 HD2 TYR 66 2HD TYR 66 -3.849 2.947 2.487 484 HE1 TYR 66 1HE TYR 66 -0.579 0.397 5.206 485 HE2 TYR 66 2HE TYR 66 -3.099 3.835 4.676 486 HH TYR 66 HH TYR 66 -0.496 2.321 6.480 487 H SER 67 H SER 67 -3.055 1.686 -2.124 488 HA SER 67 HA SER 67 -3.452 -0.843 -3.292 489 HB2 SER 67 2HB SER 67 -4.200 1.165 -4.376 490 HB3 SER 67 1HB SER 67 -2.576 1.846 -4.385 491 HG SER 67 HG SER 67 -3.268 -0.558 -5.716 492 H ALA 68 H ALA 68 -0.503 0.852 -2.551 493 HA ALA 68 HA ALA 68 1.274 -0.529 -4.356 494 HB1 ALA 68 1HB ALA 68 1.467 1.133 -1.860 495 HB2 ALA 68 2HB ALA 68 2.059 1.492 -3.482 496 HB3 ALA 68 3HB ALA 68 2.910 0.323 -2.473 497 H VAL 69 H VAL 69 1.171 -0.840 -0.764 498 HA VAL 69 HA VAL 69 2.642 -3.174 -0.509 499 HB VAL 69 HB VAL 69 1.661 -1.799 1.335 500 HG11 VAL 69 1HG1 VAL 69 -0.798 -2.605 0.086 501 HG12 VAL 69 2HG1 VAL 69 -0.542 -1.424 1.369 502 HG13 VAL 69 3HG1 VAL 69 -0.779 -3.125 1.770 503 HG21 VAL 69 3HG2 VAL 69 0.713 -4.050 2.548 504 HG22 VAL 69 1HG2 VAL 69 2.425 -3.656 2.388 505 HG23 VAL 69 2HG2 VAL 69 1.654 -4.735 1.227 506 H CYS 70 H CYS 70 -0.624 -2.844 -1.750 507 HA CYS 70 HA CYS 70 -1.398 -5.616 -1.605 508 HB2 CYS 70 2HB CYS 70 -2.250 -3.091 -2.873 509 HB3 CYS 70 1HB CYS 70 -2.729 -4.541 -3.755 510 H GLY 71 H GLY 71 -0.432 -3.739 -4.508 511 HA2 GLY 71 2HA GLY 71 1.323 -4.516 -6.033 512 HA3 GLY 71 1HA GLY 71 1.002 -6.165 -5.490 513 H ARG 72 H ARG 72 -0.210 -7.373 -6.864 514 HA ARG 72 HA ARG 72 -1.393 -6.257 -9.249 515 HB2 ARG 72 2HB ARG 72 -1.353 -8.910 -7.824 516 HB3 ARG 72 1HB ARG 72 -2.383 -8.687 -9.239 517 HG2 ARG 72 2HG ARG 72 -0.240 -7.723 -10.361 518 HG3 ARG 72 1HG ARG 72 0.619 -8.540 -9.055 519 HD2 ARG 72 2HD ARG 72 -1.345 -10.347 -10.140 520 HD3 ARG 72 1HD ARG 72 -0.341 -9.707 -11.458 521 HE ARG 72 HE ARG 72 0.951 -10.723 -8.964 522 HH11 ARG 72 1HH1 ARG 72 1.976 -9.697 -11.824 523 HH12 ARG 72 2HH1 ARG 72 2.641 -11.187 -12.403 524 HH21 ARG 72 1HH2 ARG 72 1.149 -13.114 -9.936 525 HH22 ARG 72 2HH2 ARG 72 2.172 -13.123 -11.334 526 H TYR 73 H TYR 73 -2.667 -7.189 -6.078 527 HA TYR 73 HA TYR 73 -5.464 -6.712 -6.903 528 HB2 TYR 73 2HB TYR 73 -4.038 -7.470 -4.340 529 HB3 TYR 73 1HB TYR 73 -5.781 -7.210 -4.407 530 HD1 TYR 73 1HD TYR 73 -2.999 -9.233 -5.842 531 HD2 TYR 73 2HD TYR 73 -7.240 -8.872 -5.265 532 HE1 TYR 73 1HE TYR 73 -3.311 -11.542 -6.689 533 HE2 TYR 73 2HE TYR 73 -7.553 -11.181 -6.112 534 HH TYR 73 HH TYR 73 -6.297 -13.222 -6.389 535 H PHE 74 H PHE 74 -6.700 -5.307 -5.120 536 HA PHE 74 HA PHE 74 -5.148 -2.766 -4.726 537 HB2 PHE 74 2HB PHE 74 -8.132 -3.024 -5.159 538 HB3 PHE 74 1HB PHE 74 -7.135 -1.580 -5.324 539 HD1 PHE 74 2HD PHE 74 -7.743 -4.958 -6.764 540 HD2 PHE 74 1HD PHE 74 -6.105 -1.038 -7.378 541 HE1 PHE 74 2HE PHE 74 -7.401 -5.481 -9.163 542 HE2 PHE 74 1HE PHE 74 -5.763 -1.557 -9.778 543 HZ PHE 74 HZ PHE 74 -6.408 -3.779 -10.673 544 H CYS 75 H CYS 75 -5.069 -2.120 -2.594 545 HA CYS 75 HA CYS 75 -6.500 -3.680 -0.572 546 HB2 CYS 75 2HB CYS 75 -4.174 -2.107 -0.753 547 HB3 CYS 75 1HB CYS 75 -5.238 -1.226 0.347 548 H CYS 76 H CYS 76 -8.714 -3.249 -0.729 549 HA CYS 76 HA CYS 76 -9.731 -0.551 -1.131 550 HB2 CYS 76 2HB CYS 76 -11.191 -3.013 -0.150 551 HB3 CYS 76 1HB CYS 76 -11.858 -1.664 -1.068 552 H ARG 77 H ARG 77 -11.212 0.464 0.479 553 HA ARG 77 HA ARG 77 -10.715 -0.301 3.314 554 HB2 ARG 77 2HB ARG 77 -9.663 2.036 1.810 555 HB3 ARG 77 1HB ARG 77 -10.284 2.377 3.425 556 HG2 ARG 77 2HG ARG 77 -8.843 0.198 4.014 557 HG3 ARG 77 1HG ARG 77 -7.932 0.737 2.604 558 HD2 ARG 77 2HD ARG 77 -7.023 1.741 4.687 559 HD3 ARG 77 1HD ARG 77 -7.705 2.995 3.632 560 HE ARG 77 HE ARG 77 -9.796 2.031 5.298 561 HH11 ARG 77 1HH2 ARG 77 -6.688 3.435 5.734 562 HH12 ARG 77 2HH2 ARG 77 -7.195 4.496 7.006 563 HH21 ARG 77 1HH1 ARG 77 -10.524 3.541 6.839 564 HH22 ARG 77 2HH1 ARG 77 -9.366 4.556 7.632 565 H SER 78 H SER 78 -12.003 1.369 4.745 566 HA SER 78 HA SER 78 -14.692 1.700 3.481 567 HB2 SER 78 2HB SER 78 -14.740 0.322 5.421 568 HB3 SER 78 1HB SER 78 -13.637 1.381 6.296 569 HG SER 78 HG SER 78 -16.213 1.421 6.425 570 H ARG 79 H ARG 79 -14.198 3.756 2.449 571 HA ARG 79 HA ARG 79 -13.155 6.022 3.923 572 HB2 ARG 79 2HB ARG 79 -13.008 5.723 1.475 573 HB3 ARG 79 1HB ARG 79 -14.766 5.803 1.358 574 HG2 ARG 79 2HG ARG 79 -14.828 8.074 1.740 575 HG3 ARG 79 1HG ARG 79 -13.386 8.048 2.755 576 HD2 ARG 79 2HD ARG 79 -12.854 7.264 -0.033 577 HD3 ARG 79 1HD ARG 79 -13.427 8.934 0.144 578 HE ARG 79 HE ARG 79 -11.574 8.595 2.202 579 HH11 ARG 79 1HH1 ARG 79 -11.118 10.608 0.080 580 HH12 ARG 79 2HH1 ARG 79 -9.680 10.030 -0.694 581 HH21 ARG 79 1HH2 ARG 79 -9.924 6.840 0.644 582 HH22 ARG 79 2HH2 ARG 79 -9.004 7.897 -0.374 Start of MODEL 23 1 H1 ASN 1 1HT ASN 1 13.623 8.866 -11.504 2 H2 ASN 1 2HT ASN 1 14.072 10.456 -11.103 3 H3 ASN 1 3HT ASN 1 12.505 9.899 -10.755 4 HA ASN 1 HA ASN 1 14.779 8.454 -9.580 5 HB2 ASN 1 2HB ASN 1 15.273 10.865 -9.343 6 HB3 ASN 1 1HB ASN 1 13.665 11.128 -8.667 7 HD21 ASN 1 1HD2 ASN 1 15.493 11.916 -6.910 8 HD22 ASN 1 2HD2 ASN 1 15.808 10.760 -5.708 9 HA PRO 2 HA PRO 2 10.422 7.340 -8.355 10 HB2 PRO 2 2HB PRO 2 10.607 4.686 -9.000 11 HB3 PRO 2 1HB PRO 2 10.099 5.930 -10.161 12 HG2 PRO 2 2HG PRO 2 12.738 4.594 -9.854 13 HG3 PRO 2 1HG PRO 2 11.885 5.089 -11.324 14 HD2 PRO 2 2HD PRO 2 13.962 6.489 -10.222 15 HD3 PRO 2 1HD PRO 2 12.694 7.223 -11.229 16 H LEU 3 H LEU 3 10.909 7.543 -6.131 17 HA LEU 3 HA LEU 3 12.732 5.577 -4.861 18 HB2 LEU 3 2HB LEU 3 12.335 8.223 -4.511 19 HB3 LEU 3 1HB LEU 3 11.189 7.608 -3.320 20 HG LEU 3 HG LEU 3 13.869 6.326 -3.343 21 HD11 LEU 3 1HD1 LEU 3 13.562 8.976 -1.952 22 HD12 LEU 3 2HD1 LEU 3 14.110 8.919 -3.627 23 HD13 LEU 3 3HD1 LEU 3 15.039 8.107 -2.367 24 HD21 LEU 3 3HD2 LEU 3 11.616 6.387 -1.696 25 HD22 LEU 3 1HD2 LEU 3 12.796 7.380 -0.840 26 HD23 LEU 3 2HD2 LEU 3 13.191 5.716 -1.273 27 H ILE 4 H ILE 4 11.988 4.245 -3.076 28 HA ILE 4 HA ILE 4 9.564 2.851 -3.444 29 HB ILE 4 HB ILE 4 11.549 3.255 -1.231 30 HG12 ILE 4 2HG1 ILE 4 11.834 1.686 -3.217 31 HG13 ILE 4 1HG1 ILE 4 12.009 0.932 -1.632 32 HG21 ILE 4 1HG2 ILE 4 10.317 1.708 0.232 33 HG22 ILE 4 2HG2 ILE 4 8.994 1.637 -0.932 34 HG23 ILE 4 3HG2 ILE 4 9.344 3.144 -0.084 35 HD11 ILE 4 3HD1 ILE 4 10.592 -0.472 -3.042 36 HD12 ILE 4 1HD1 ILE 4 9.526 0.894 -3.374 37 HD13 ILE 4 2HD1 ILE 4 9.620 0.223 -1.745 38 HA PRO 5 HA PRO 5 6.607 5.636 -1.718 39 HB2 PRO 5 2HB PRO 5 4.558 3.860 -1.384 40 HB3 PRO 5 1HB PRO 5 5.026 4.503 -2.966 41 HG2 PRO 5 2HG PRO 5 5.584 1.859 -1.761 42 HG3 PRO 5 1HG PRO 5 5.300 2.291 -3.452 43 HD2 PRO 5 2HD PRO 5 7.783 1.782 -2.343 44 HD3 PRO 5 1HD PRO 5 7.502 2.701 -3.836 45 H ALA 6 H ALA 6 5.370 5.868 0.324 46 HA ALA 6 HA ALA 6 6.833 4.810 2.608 47 HB1 ALA 6 1HB ALA 6 6.069 6.758 3.456 48 HB2 ALA 6 2HB ALA 6 4.402 6.217 3.260 49 HB3 ALA 6 3HB ALA 6 5.222 7.040 1.934 50 H ILE 7 H ILE 7 3.888 4.042 0.919 51 HA ILE 7 HA ILE 7 2.305 2.817 2.874 52 HB ILE 7 HB ILE 7 1.427 3.012 0.704 53 HG12 ILE 7 2HG1 ILE 7 0.806 0.779 0.045 54 HG13 ILE 7 1HG1 ILE 7 2.246 0.096 0.803 55 HG21 ILE 7 1HG2 ILE 7 3.102 1.324 -0.903 56 HG22 ILE 7 2HG2 ILE 7 4.118 2.513 -0.097 57 HG23 ILE 7 3HG2 ILE 7 2.771 3.043 -1.099 58 HD11 ILE 7 3HD1 ILE 7 1.429 0.870 3.013 59 HD12 ILE 7 1HD1 ILE 7 0.291 -0.239 2.249 60 HD13 ILE 7 2HD1 ILE 7 -0.027 1.496 2.242 61 H TYR 8 H TYR 8 4.790 1.140 0.904 62 HA TYR 8 HA TYR 8 4.671 -1.392 2.054 63 HB2 TYR 8 2HB TYR 8 7.088 0.240 1.213 64 HB3 TYR 8 1HB TYR 8 7.072 -1.513 1.395 65 HD1 TYR 8 1HD TYR 8 4.237 -1.983 0.367 66 HD2 TYR 8 2HD TYR 8 7.491 0.373 -1.150 67 HE1 TYR 8 1HE TYR 8 3.324 -2.201 -1.924 68 HE2 TYR 8 2HE TYR 8 6.578 0.155 -3.444 69 HH TYR 8 HH TYR 8 4.928 -1.793 -4.586 70 H ILE 9 H ILE 9 6.054 1.554 3.407 71 HA ILE 9 HA ILE 9 7.476 0.301 5.581 72 HB ILE 9 HB ILE 9 6.227 3.061 5.364 73 HG12 ILE 9 2HG1 ILE 9 9.043 2.214 4.631 74 HG13 ILE 9 1HG1 ILE 9 7.745 2.355 3.447 75 HG21 ILE 9 1HG2 ILE 9 8.785 2.537 6.795 76 HG22 ILE 9 2HG2 ILE 9 7.308 1.975 7.578 77 HG23 ILE 9 3HG2 ILE 9 7.498 3.681 7.174 78 HD11 ILE 9 3HD1 ILE 9 8.714 4.476 3.327 79 HD12 ILE 9 1HD1 ILE 9 9.082 4.513 5.052 80 HD13 ILE 9 2HD1 ILE 9 7.423 4.743 4.499 81 H GLY 10 H GLY 10 6.682 -0.420 7.546 82 HA2 GLY 10 2HA GLY 10 5.077 -1.091 9.124 83 HA3 GLY 10 1HA GLY 10 4.369 0.510 8.876 84 H ALA 11 H ALA 11 4.773 -1.888 6.334 85 HA ALA 11 HA ALA 11 1.777 -2.191 6.236 86 HB1 ALA 11 1HB ALA 11 2.046 -0.997 4.319 87 HB2 ALA 11 2HB ALA 11 2.695 -2.494 3.650 88 HB3 ALA 11 3HB ALA 11 3.788 -1.272 4.297 89 H THR 12 H THR 12 1.770 -4.056 4.099 90 HA THR 12 HA THR 12 3.537 -6.303 4.895 91 HB THR 12 HB THR 12 0.564 -6.129 5.406 92 HG1 THR 12 1HG THR 12 1.577 -5.728 7.232 93 HG21 THR 12 3HG2 THR 12 0.758 -8.610 5.948 94 HG22 THR 12 1HG2 THR 12 2.278 -8.594 5.057 95 HG23 THR 12 2HG2 THR 12 0.769 -8.199 4.234 96 H VAL 13 H VAL 13 4.205 -6.283 2.648 97 HA VAL 13 HA VAL 13 2.169 -6.542 0.531 98 HB VAL 13 HB VAL 13 4.060 -6.358 -0.920 99 HG11 VAL 13 1HG1 VAL 13 4.906 -4.888 1.590 100 HG12 VAL 13 2HG1 VAL 13 3.575 -4.358 0.562 101 HG13 VAL 13 3HG1 VAL 13 5.214 -4.420 -0.082 102 HG21 VAL 13 3HG2 VAL 13 6.415 -6.540 0.258 103 HG22 VAL 13 1HG2 VAL 13 5.578 -8.004 -0.260 104 HG23 VAL 13 2HG2 VAL 13 5.529 -7.513 1.433 105 H GLY 14 H GLY 14 3.908 -8.413 -1.006 106 HA2 GLY 14 2HA GLY 14 3.301 -10.944 0.472 107 HA3 GLY 14 1HA GLY 14 2.946 -10.765 -1.247 108 HA PRO 15 HA PRO 15 7.162 -12.564 -0.898 109 HB2 PRO 15 2HB PRO 15 6.772 -14.476 -2.816 110 HB3 PRO 15 1HB PRO 15 6.347 -14.718 -1.110 111 HG2 PRO 15 2HG PRO 15 4.597 -14.048 -3.419 112 HG3 PRO 15 1HG PRO 15 4.285 -15.105 -2.034 113 HD2 PRO 15 2HD PRO 15 3.304 -12.561 -2.262 114 HD3 PRO 15 1HD PRO 15 3.592 -13.377 -0.709 115 H SER 16 H SER 16 5.258 -12.150 -3.909 116 HA SER 16 HA SER 16 7.531 -11.617 -5.597 117 HB2 SER 16 2HB SER 16 5.746 -12.103 -6.919 118 HB3 SER 16 1HB SER 16 4.594 -11.605 -5.683 119 HG SER 16 HG SER 16 4.460 -9.725 -6.609 120 H VAL 17 H VAL 17 5.048 -9.379 -4.277 121 HA VAL 17 HA VAL 17 6.203 -6.954 -5.125 122 HB VAL 17 HB VAL 17 4.640 -7.721 -2.641 123 HG11 VAL 17 1HG1 VAL 17 5.569 -5.054 -3.674 124 HG12 VAL 17 2HG1 VAL 17 5.536 -5.652 -2.015 125 HG13 VAL 17 3HG1 VAL 17 4.037 -5.175 -2.811 126 HG21 VAL 17 3HG2 VAL 17 3.902 -6.579 -5.351 127 HG22 VAL 17 1HG2 VAL 17 2.786 -6.627 -3.986 128 HG23 VAL 17 2HG2 VAL 17 3.404 -8.129 -4.673 129 H TRP 18 H TRP 18 6.904 -8.882 -2.210 130 HA TRP 18 HA TRP 18 8.636 -7.082 -0.876 131 HB2 TRP 18 2HB TRP 18 7.768 -9.255 -0.023 132 HB3 TRP 18 1HB TRP 18 8.827 -10.100 -1.150 133 HD1 TRP 18 HD TRP 18 9.490 -7.135 1.252 134 HE1 TRP 18 1HE TRP 18 11.579 -7.695 2.654 135 HE3 TRP 18 3HE TRP 18 10.515 -11.814 -0.523 136 HZ2 TRP 18 2HZ TRP 18 13.439 -9.843 2.980 137 HZ3 TRP 18 3HZ TRP 18 12.450 -13.092 0.351 138 HH2 TRP 18 HH TRP 18 13.912 -12.114 2.098 139 H ALA 19 H ALA 19 9.646 -9.799 -2.976 140 HA ALA 19 HA ALA 19 12.343 -9.272 -3.262 141 HB1 ALA 19 1HB ALA 19 10.212 -10.213 -5.177 142 HB2 ALA 19 2HB ALA 19 11.425 -11.171 -4.326 143 HB3 ALA 19 3HB ALA 19 11.902 -10.142 -5.676 144 H TYR 20 H TYR 20 9.682 -7.605 -4.930 145 HA TYR 20 HA TYR 20 11.319 -6.017 -6.682 146 HB2 TYR 20 2HB TYR 20 8.743 -6.541 -6.561 147 HB3 TYR 20 1HB TYR 20 8.692 -5.106 -5.535 148 HD1 TYR 20 2HD TYR 20 10.556 -6.083 -8.650 149 HD2 TYR 20 1HD TYR 20 8.052 -3.194 -6.691 150 HE1 TYR 20 2HE TYR 20 10.659 -4.632 -10.659 151 HE2 TYR 20 1HE TYR 20 8.155 -1.743 -8.700 152 HH TYR 20 HH TYR 20 9.194 -1.404 -10.671 153 H LEU 21 H LEU 21 9.932 -5.364 -3.458 154 HA LEU 21 HA LEU 21 10.900 -2.679 -3.211 155 HB2 LEU 21 2HB LEU 21 9.199 -4.264 -1.878 156 HB3 LEU 21 1HB LEU 21 10.614 -4.487 -0.850 157 HG LEU 21 HG LEU 21 9.418 -1.811 -1.631 158 HD11 LEU 21 1HD1 LEU 21 7.924 -2.505 -0.029 159 HD12 LEU 21 2HD1 LEU 21 9.193 -1.923 1.046 160 HD13 LEU 21 3HD1 LEU 21 9.062 -3.644 0.689 161 HD21 LEU 21 3HD2 LEU 21 11.075 -1.438 0.541 162 HD22 LEU 21 1HD2 LEU 21 11.520 -1.106 -1.133 163 HD23 LEU 21 2HD2 LEU 21 11.955 -2.647 -0.393 164 H VAL 22 H VAL 22 12.410 -5.815 -2.682 165 HA VAL 22 HA VAL 22 14.640 -4.867 -1.101 166 HB VAL 22 HB VAL 22 14.189 -7.299 -2.855 167 HG11 VAL 22 1HG1 VAL 22 16.626 -6.403 -1.957 168 HG12 VAL 22 2HG1 VAL 22 16.237 -8.095 -2.271 169 HG13 VAL 22 3HG1 VAL 22 16.119 -7.452 -0.632 170 HG21 VAL 22 3HG2 VAL 22 12.647 -7.486 -1.117 171 HG22 VAL 22 1HG2 VAL 22 13.666 -6.598 0.016 172 HG23 VAL 22 2HG2 VAL 22 14.056 -8.267 -0.398 173 H ALA 23 H ALA 23 14.175 -5.490 -4.571 174 HA ALA 23 HA ALA 23 16.866 -4.890 -5.364 175 HB1 ALA 23 1HB ALA 23 15.018 -6.136 -6.605 176 HB2 ALA 23 2HB ALA 23 15.926 -4.975 -7.575 177 HB3 ALA 23 3HB ALA 23 14.322 -4.557 -6.971 178 H LEU 24 H LEU 24 13.991 -2.897 -4.854 179 HA LEU 24 HA LEU 24 15.031 -0.521 -6.116 180 HB2 LEU 24 2HB LEU 24 12.615 -1.390 -5.350 181 HB3 LEU 24 1HB LEU 24 13.007 -0.427 -3.928 182 HG LEU 24 HG LEU 24 13.363 1.549 -5.292 183 HD11 LEU 24 1HD1 LEU 24 12.620 1.134 -7.833 184 HD12 LEU 24 2HD1 LEU 24 13.267 -0.471 -7.491 185 HD13 LEU 24 3HD1 LEU 24 14.297 0.951 -7.315 186 HD21 LEU 24 3HD2 LEU 24 10.856 0.016 -5.377 187 HD22 LEU 24 1HD2 LEU 24 10.984 1.217 -6.663 188 HD23 LEU 24 2HD2 LEU 24 11.121 1.714 -4.977 189 H VAL 25 H VAL 25 14.267 -0.954 -2.643 190 HA VAL 25 HA VAL 25 16.322 1.048 -1.945 191 HB VAL 25 HB VAL 25 14.045 1.000 -0.960 192 HG11 VAL 25 1HG1 VAL 25 13.772 -0.850 0.854 193 HG12 VAL 25 2HG1 VAL 25 14.959 -1.727 -0.113 194 HG13 VAL 25 3HG1 VAL 25 13.422 -1.243 -0.828 195 HG21 VAL 25 3HG2 VAL 25 15.377 2.120 0.525 196 HG22 VAL 25 1HG2 VAL 25 16.523 0.786 0.655 197 HG23 VAL 25 2HG2 VAL 25 14.995 0.725 1.535 198 H GLY 26 H GLY 26 15.888 -2.436 -1.821 199 HA2 GLY 26 2HA GLY 26 18.066 -3.718 -1.752 200 HA3 GLY 26 1HA GLY 26 18.533 -2.648 -0.432 201 H ALA 27 H ALA 27 18.462 -5.460 -0.145 202 HA ALA 27 HA ALA 27 16.050 -6.471 0.992 203 HB1 ALA 27 1HB ALA 27 18.620 -7.346 0.392 204 HB2 ALA 27 2HB ALA 27 17.358 -8.319 1.145 205 HB3 ALA 27 3HB ALA 27 18.541 -7.480 2.148 206 H ALA 28 H ALA 28 19.007 -5.503 2.745 207 HA ALA 28 HA ALA 28 17.964 -5.472 5.347 208 HB1 ALA 28 1HB ALA 28 20.241 -5.131 5.279 209 HB2 ALA 28 2HB ALA 28 19.748 -3.443 5.418 210 HB3 ALA 28 3HB ALA 28 20.147 -4.119 3.838 211 H ALA 29 H ALA 29 17.698 -3.015 2.808 212 HA ALA 29 HA ALA 29 16.645 -0.888 4.405 213 HB1 ALA 29 1HB ALA 29 15.557 -1.036 1.718 214 HB2 ALA 29 2HB ALA 29 17.271 -1.439 1.717 215 HB3 ALA 29 3HB ALA 29 16.727 0.106 2.371 216 H VAL 30 H VAL 30 15.043 -3.493 2.584 217 HA VAL 30 HA VAL 30 12.349 -2.707 3.059 218 HB VAL 30 HB VAL 30 13.578 -5.468 2.761 219 HG11 VAL 30 1HG1 VAL 30 11.342 -5.982 1.725 220 HG12 VAL 30 2HG1 VAL 30 10.781 -4.405 2.278 221 HG13 VAL 30 3HG1 VAL 30 11.261 -5.631 3.452 222 HG21 VAL 30 3HG2 VAL 30 12.445 -4.559 0.342 223 HG22 VAL 30 1HG2 VAL 30 14.160 -4.767 0.699 224 HG23 VAL 30 2HG2 VAL 30 13.387 -3.204 0.965 225 H THR 31 H THR 31 14.560 -4.747 4.979 226 HA THR 31 HA THR 31 12.588 -5.489 6.967 227 HB THR 31 HB THR 31 15.566 -5.322 7.410 228 HG1 THR 31 1HG THR 31 14.214 -7.284 5.876 229 HG21 THR 31 3HG2 THR 31 14.732 -7.794 8.174 230 HG22 THR 31 1HG2 THR 31 13.257 -6.863 8.434 231 HG23 THR 31 2HG2 THR 31 14.749 -6.395 9.247 232 H ALA 32 H ALA 32 14.622 -2.688 6.482 233 HA ALA 32 HA ALA 32 14.403 -1.749 9.260 234 HB1 ALA 32 1HB ALA 32 15.754 -1.045 6.734 235 HB2 ALA 32 2HB ALA 32 16.336 -0.905 8.394 236 HB3 ALA 32 3HB ALA 32 15.294 0.347 7.716 237 H ALA 33 H ALA 33 12.585 -1.442 6.304 238 HA ALA 33 HA ALA 33 11.184 1.006 7.194 239 HB1 ALA 33 1HB ALA 33 11.642 -0.522 4.761 240 HB2 ALA 33 2HB ALA 33 11.158 1.164 4.938 241 HB3 ALA 33 3HB ALA 33 9.938 -0.109 4.940 242 H ASN 34 H ASN 34 10.972 -2.056 8.234 243 HA ASN 34 HA ASN 34 9.255 -3.310 9.260 244 HB2 ASN 34 2HB ASN 34 8.913 -1.086 10.304 245 HB3 ASN 34 1HB ASN 34 7.838 -0.641 8.982 246 HD21 ASN 34 1HD2 ASN 34 7.616 -3.979 9.876 247 HD22 ASN 34 2HD2 ASN 34 6.190 -3.859 10.788 248 H ILE 35 H ILE 35 9.301 -4.280 6.923 249 HA ILE 35 HA ILE 35 6.597 -3.931 5.667 250 HB ILE 35 HB ILE 35 9.358 -4.476 4.560 251 HG12 ILE 35 2HG1 ILE 35 7.604 -2.614 3.161 252 HG13 ILE 35 1HG1 ILE 35 7.792 -2.175 4.858 253 HG21 ILE 35 1HG2 ILE 35 8.169 -4.757 2.341 254 HG22 ILE 35 2HG2 ILE 35 6.663 -4.910 3.246 255 HG23 ILE 35 3HG2 ILE 35 7.949 -6.097 3.467 256 HD11 ILE 35 3HD1 ILE 35 9.539 -1.220 3.252 257 HD12 ILE 35 1HD1 ILE 35 10.154 -2.866 3.104 258 HD13 ILE 35 2HD1 ILE 35 10.165 -2.058 4.671 259 H ARG 36 H ARG 36 5.400 -5.678 6.350 260 HA ARG 36 HA ARG 36 6.711 -8.283 6.857 261 HB2 ARG 36 2HB ARG 36 3.791 -7.517 7.084 262 HB3 ARG 36 1HB ARG 36 4.641 -8.799 7.948 263 HG2 ARG 36 2HG ARG 36 6.103 -6.504 8.553 264 HG3 ARG 36 1HG ARG 36 4.424 -5.964 8.601 265 HD2 ARG 36 2HD ARG 36 5.340 -8.492 10.001 266 HD3 ARG 36 1HD ARG 36 5.318 -6.909 10.802 267 HE ARG 36 HE ARG 36 2.900 -6.826 10.474 268 HH11 ARG 36 1HH1 ARG 36 3.345 -9.542 11.736 269 HH12 ARG 36 2HH1 ARG 36 2.386 -10.560 10.715 270 HH21 ARG 36 1HH2 ARG 36 2.132 -8.218 8.170 271 HH22 ARG 36 2HH2 ARG 36 1.699 -9.810 8.697 272 H ARG 37 H ARG 37 5.812 -10.258 5.874 273 HA ARG 37 HA ARG 37 4.804 -9.771 3.093 274 HB2 ARG 37 2HB ARG 37 6.744 -11.595 4.401 275 HB3 ARG 37 1HB ARG 37 5.750 -12.328 3.140 276 HG2 ARG 37 2HG ARG 37 6.541 -10.854 1.485 277 HG3 ARG 37 1HG ARG 37 7.115 -9.684 2.674 278 HD2 ARG 37 2HD ARG 37 8.920 -11.125 1.524 279 HD3 ARG 37 1HD ARG 37 8.962 -11.093 3.298 280 HE ARG 37 HE ARG 37 7.666 -13.290 1.725 281 HH11 ARG 37 1HH2 ARG 37 10.452 -13.475 3.036 282 HH12 ARG 37 2HH2 ARG 37 10.065 -14.356 4.477 283 HH21 ARG 37 1HH1 ARG 37 6.651 -13.805 4.213 284 HH22 ARG 37 2HH1 ARG 37 7.912 -14.541 5.143 285 H ALA 38 H ALA 38 3.088 -11.134 2.328 286 HA ALA 38 HA ALA 38 1.572 -12.552 4.496 287 HB1 ALA 38 1HB ALA 38 -0.422 -11.705 3.475 288 HB2 ALA 38 2HB ALA 38 0.445 -11.240 2.011 289 HB3 ALA 38 3HB ALA 38 0.702 -10.347 3.510 290 H SER 39 H SER 39 -0.233 -13.956 3.087 291 HA SER 39 HA SER 39 1.307 -16.090 1.878 292 HB2 SER 39 2HB SER 39 -0.925 -16.092 3.206 293 HB3 SER 39 1HB SER 39 -1.676 -15.667 1.672 294 HG SER 39 HG SER 39 -1.592 -17.730 1.294 295 H SER 40 H SER 40 0.357 -13.129 0.640 296 HA SER 40 HA SER 40 1.174 -13.602 -2.020 297 HB2 SER 40 2HB SER 40 -1.568 -14.463 -1.310 298 HB3 SER 40 1HB SER 40 -1.451 -13.507 -2.784 299 HG SER 40 HG SER 40 -1.128 -15.665 -3.287 300 H ASP 41 H ASP 41 -0.495 -11.954 -3.496 301 HA ASP 41 HA ASP 41 0.150 -9.325 -2.468 302 HB2 ASP 41 2HB ASP 41 -1.438 -10.448 -4.781 303 HB3 ASP 41 1HB ASP 41 -1.301 -8.709 -4.519 304 H ASN 42 H ASN 42 -2.419 -11.462 -1.828 305 HA ASN 42 HA ASN 42 -4.369 -9.294 -1.238 306 HB2 ASN 42 2HB ASN 42 -4.950 -11.414 -2.473 307 HB3 ASN 42 1HB ASN 42 -4.597 -12.309 -0.994 308 HD21 ASN 42 1HD2 ASN 42 -7.211 -11.380 -2.628 309 HD22 ASN 42 2HD2 ASN 42 -8.260 -10.946 -1.365 310 H HIS 43 H HIS 43 -3.654 -8.341 0.723 311 HA HIS 43 HA HIS 43 -3.701 -10.136 3.102 312 HB2 HIS 43 2HB HIS 43 -1.676 -8.657 3.864 313 HB3 HIS 43 1HB HIS 43 -1.387 -9.987 2.745 314 HD1 HIS 43 1HD HIS 43 -1.356 -6.261 2.985 315 HD2 HIS 43 2HD HIS 43 -0.881 -9.167 0.035 316 HE1 HIS 43 1HE HIS 43 -0.313 -5.088 0.987 317 H SER 44 H SER 44 -3.569 -8.625 5.148 318 HA SER 44 HA SER 44 -5.759 -6.702 4.934 319 HB2 SER 44 2HB SER 44 -4.922 -6.432 7.445 320 HB3 SER 44 1HB SER 44 -5.774 -7.885 6.936 321 HG SER 44 HG SER 44 -3.296 -7.642 7.886 322 H CYS 45 H CYS 45 -5.510 -4.510 4.618 323 HA CYS 45 HA CYS 45 -2.770 -3.364 5.038 324 HB2 CYS 45 2HB CYS 45 -3.506 -1.813 3.130 325 HB3 CYS 45 1HB CYS 45 -3.174 -3.484 2.701 326 H ALA 46 H ALA 46 -2.983 -0.852 5.151 327 HA ALA 46 HA ALA 46 -3.680 0.945 6.536 328 HB1 ALA 46 1HB ALA 46 -6.288 -0.265 5.553 329 HB2 ALA 46 2HB ALA 46 -5.362 1.017 4.770 330 HB3 ALA 46 3HB ALA 46 -6.163 1.322 6.312 331 H GLY 47 H GLY 47 -3.055 -1.442 7.961 332 HA2 GLY 47 2HA GLY 47 -3.333 -2.352 10.108 333 HA3 GLY 47 1HA GLY 47 -4.364 -0.964 10.468 334 H ASN 48 H ASN 48 -5.932 -2.292 11.553 335 HA ASN 48 HA ASN 48 -7.216 -4.474 10.078 336 HB2 ASN 48 2HB ASN 48 -7.000 -3.453 12.794 337 HB3 ASN 48 1HB ASN 48 -8.672 -3.850 12.391 338 HD21 ASN 48 1HD2 ASN 48 -8.767 -5.819 13.632 339 HD22 ASN 48 2HD2 ASN 48 -7.849 -7.190 13.234 340 H ARG 49 H ARG 49 -7.425 -1.856 8.824 341 HA ARG 49 HA ARG 49 -10.331 -1.264 9.204 342 HB2 ARG 49 2HB ARG 49 -7.888 0.363 8.553 343 HB3 ARG 49 1HB ARG 49 -9.487 0.953 8.102 344 HG2 ARG 49 2HG ARG 49 -9.675 0.004 10.773 345 HG3 ARG 49 1HG ARG 49 -8.228 1.009 10.680 346 HD2 ARG 49 2HD ARG 49 -10.676 2.058 9.329 347 HD3 ARG 49 1HD ARG 49 -10.647 2.092 11.104 348 HE ARG 49 HE ARG 49 -9.022 3.750 9.387 349 HH11 ARG 49 1HH2 ARG 49 -9.751 3.036 12.554 350 HH12 ARG 49 2HH2 ARG 49 -8.209 3.474 13.208 351 HH21 ARG 49 1HH1 ARG 49 -6.700 3.832 10.108 352 HH22 ARG 49 2HH1 ARG 49 -6.480 3.924 11.823 353 H GLY 50 H GLY 50 -7.750 -1.770 6.800 354 HA2 GLY 50 2HA GLY 50 -9.920 -2.097 4.761 355 HA3 GLY 50 1HA GLY 50 -8.388 -1.319 4.364 356 H TRP 51 H TRP 51 -9.212 -3.537 2.916 357 HA TRP 51 HA TRP 51 -7.203 -5.592 3.767 358 HB2 TRP 51 2HB TRP 51 -10.129 -5.762 3.332 359 HB3 TRP 51 1HB TRP 51 -9.189 -7.043 2.572 360 HD1 TRP 51 HD TRP 51 -10.605 -5.998 5.825 361 HE1 TRP 51 1HE TRP 51 -9.779 -7.557 7.706 362 HE3 TRP 51 3HE TRP 51 -6.879 -8.461 3.354 363 HZ2 TRP 51 2HZ TRP 51 -7.799 -9.582 8.107 364 HZ3 TRP 51 3HZ TRP 51 -5.539 -10.195 4.506 365 HH2 TRP 51 HH TRP 51 -5.993 -10.761 6.877 366 H CYS 52 H CYS 52 -6.855 -7.145 1.756 367 HA CYS 52 HA CYS 52 -6.668 -5.396 -0.665 368 HB2 CYS 52 2HB CYS 52 -4.661 -6.490 0.591 369 HB3 CYS 52 1HB CYS 52 -5.200 -7.981 -0.184 370 H ARG 53 H ARG 53 -8.127 -5.863 -2.226 371 HA ARG 53 HA ARG 53 -8.874 -8.713 -2.730 372 HB2 ARG 53 2HB ARG 53 -10.719 -6.309 -2.517 373 HB3 ARG 53 1HB ARG 53 -11.225 -7.940 -2.930 374 HG2 ARG 53 2HG ARG 53 -11.346 -8.503 -0.761 375 HG3 ARG 53 1HG ARG 53 -9.679 -7.992 -0.499 376 HD2 ARG 53 2HD ARG 53 -10.427 -5.649 -0.261 377 HD3 ARG 53 1HD ARG 53 -12.107 -6.167 -0.502 378 HE ARG 53 HE ARG 53 -10.665 -7.618 1.610 379 HH11 ARG 53 1HH2 ARG 53 -12.292 -4.687 0.899 380 HH12 ARG 53 2HH2 ARG 53 -13.170 -4.647 2.390 381 HH21 ARG 53 1HH1 ARG 53 -11.983 -7.717 3.480 382 HH22 ARG 53 2HH1 ARG 53 -12.995 -6.361 3.852 383 H SER 54 H SER 54 -9.194 -9.129 -4.989 384 HA SER 54 HA SER 54 -7.901 -7.618 -6.943 385 HB2 SER 54 2HB SER 54 -10.165 -9.563 -6.866 386 HB3 SER 54 1HB SER 54 -9.918 -8.691 -8.375 387 HG SER 54 HG SER 54 -7.921 -9.550 -8.553 388 H LYS 55 H LYS 55 -11.199 -7.296 -5.731 389 HA LYS 55 HA LYS 55 -11.370 -4.580 -6.964 390 HB2 LYS 55 2HB LYS 55 -13.857 -5.249 -7.197 391 HB3 LYS 55 1HB LYS 55 -12.731 -5.986 -8.331 392 HG2 LYS 55 2HG LYS 55 -13.219 -7.392 -5.743 393 HG3 LYS 55 1HG LYS 55 -14.501 -7.446 -6.952 394 HD2 LYS 55 2HD LYS 55 -12.418 -8.006 -8.550 395 HD3 LYS 55 1HD LYS 55 -11.769 -8.632 -7.034 396 HE2 LYS 55 2HE LYS 55 -13.925 -9.932 -6.742 397 HE3 LYS 55 1HE LYS 55 -14.354 -9.452 -8.397 398 HZ1 LYS 55 3HZ LYS 55 -11.867 -10.222 -8.794 399 HZ2 LYS 55 1HZ LYS 55 -13.166 -11.307 -8.887 400 HZ3 LYS 55 2HZ LYS 55 -12.228 -11.229 -7.473 401 H CYS 56 H CYS 56 -13.860 -3.932 -5.796 402 HA CYS 56 HA CYS 56 -13.539 -4.470 -2.878 403 HB2 CYS 56 2HB CYS 56 -13.832 -1.701 -4.063 404 HB3 CYS 56 1HB CYS 56 -13.477 -2.109 -2.388 405 H PHE 57 H PHE 57 -15.483 -3.209 -1.728 406 HA PHE 57 HA PHE 57 -17.946 -4.197 -2.966 407 HB2 PHE 57 2HB PHE 57 -17.157 -2.793 -0.412 408 HB3 PHE 57 1HB PHE 57 -18.853 -3.067 -0.808 409 HD1 PHE 57 1HD PHE 57 -19.746 -5.363 -1.026 410 HD2 PHE 57 2HD PHE 57 -15.689 -4.622 0.177 411 HE1 PHE 57 1HE PHE 57 -19.557 -7.701 -0.223 412 HE2 PHE 57 2HE PHE 57 -15.500 -6.962 0.980 413 HZ PHE 57 HZ PHE 57 -17.435 -8.501 0.780 414 H ARG 58 H ARG 58 -19.885 -2.443 -2.589 415 HA ARG 58 HA ARG 58 -19.303 -0.289 -4.476 416 HB2 ARG 58 2HB ARG 58 -21.408 -1.902 -4.057 417 HB3 ARG 58 1HB ARG 58 -21.902 -0.548 -3.039 418 HG2 ARG 58 2HG ARG 58 -21.600 0.995 -4.945 419 HG3 ARG 58 1HG ARG 58 -21.122 -0.363 -5.963 420 HD2 ARG 58 2HD ARG 58 -23.456 -1.353 -5.076 421 HD3 ARG 58 1HD ARG 58 -23.832 0.378 -4.957 422 HE ARG 58 HE ARG 58 -22.665 0.253 -7.415 423 HH11 ARG 58 1HH1 ARG 58 -23.349 -2.681 -7.472 424 HH12 ARG 58 2HH1 ARG 58 -24.906 -2.666 -8.231 425 HH21 ARG 58 1HH2 ARG 58 -25.424 0.721 -7.705 426 HH22 ARG 58 2HH2 ARG 58 -26.080 -0.740 -8.363 427 H HIS 59 H HIS 59 -20.172 -0.598 -1.048 428 HA HIS 59 HA HIS 59 -20.271 2.305 -0.645 429 HB2 HIS 59 2HB HIS 59 -21.026 -0.119 0.688 430 HB3 HIS 59 1HB HIS 59 -20.016 0.823 1.786 431 HD1 HIS 59 1HD HIS 59 -20.753 3.553 1.733 432 HD2 HIS 59 2HD HIS 59 -23.652 0.705 0.806 433 HE1 HIS 59 1HE HIS 59 -22.995 4.689 2.039 434 H GLU 60 H GLU 60 -17.717 0.439 -1.359 435 HA GLU 60 HA GLU 60 -15.916 1.846 0.587 436 HB2 GLU 60 2HB GLU 60 -16.101 -0.953 -0.438 437 HB3 GLU 60 1HB GLU 60 -14.491 -0.309 -0.117 438 HG2 GLU 60 2HG GLU 60 -15.579 0.482 2.148 439 HG3 GLU 60 1HG GLU 60 -16.754 -0.785 1.794 440 H TYR 61 H TYR 61 -13.508 1.346 -0.589 441 HA TYR 61 HA TYR 61 -13.634 1.995 -3.470 442 HB2 TYR 61 2HB TYR 61 -12.621 4.156 -3.228 443 HB3 TYR 61 1HB TYR 61 -13.951 4.117 -2.076 444 HD1 TYR 61 2HD TYR 61 -13.196 2.940 0.279 445 HD2 TYR 61 1HD TYR 61 -10.624 5.068 -2.425 446 HE1 TYR 61 2HE TYR 61 -11.621 3.386 2.137 447 HE2 TYR 61 1HE TYR 61 -9.054 5.520 -0.562 448 HH TYR 61 HH TYR 61 -8.732 5.399 1.644 449 H VAL 62 H VAL 62 -10.995 2.946 -3.657 450 HA VAL 62 HA VAL 62 -9.403 0.613 -2.631 451 HB VAL 62 HB VAL 62 -9.371 2.113 -5.269 452 HG11 VAL 62 1HG1 VAL 62 -7.569 0.425 -5.869 453 HG12 VAL 62 2HG1 VAL 62 -7.451 0.057 -4.148 454 HG13 VAL 62 3HG1 VAL 62 -7.071 1.677 -4.732 455 HG21 VAL 62 3HG2 VAL 62 -10.860 -0.068 -4.419 456 HG22 VAL 62 1HG2 VAL 62 -9.503 -0.814 -5.261 457 HG23 VAL 62 2HG2 VAL 62 -10.528 0.352 -6.098 458 H ASP 63 H ASP 63 -8.481 1.772 -0.838 459 HA ASP 63 HA ASP 63 -7.582 4.438 -0.814 460 HB2 ASP 63 2HB ASP 63 -5.900 3.439 0.903 461 HB3 ASP 63 1HB ASP 63 -7.623 3.260 1.229 462 H THR 64 H THR 64 -6.647 4.904 -2.868 463 HA THR 64 HA THR 64 -4.682 3.622 -4.322 464 HB THR 64 HB THR 64 -3.848 6.199 -4.475 465 HG1 THR 64 1HG THR 64 -5.028 7.076 -2.895 466 HG21 THR 64 3HG2 THR 64 -4.801 5.775 -6.465 467 HG22 THR 64 1HG2 THR 64 -6.356 6.207 -5.753 468 HG23 THR 64 2HG2 THR 64 -5.824 4.526 -5.755 469 H TYR 65 H TYR 65 -4.277 5.102 -1.168 470 HA TYR 65 HA TYR 65 -1.418 5.379 -1.194 471 HB2 TYR 65 2HB TYR 65 -3.194 6.352 0.379 472 HB3 TYR 65 1HB TYR 65 -3.191 4.784 1.184 473 HD1 TYR 65 1HD TYR 65 -1.099 3.918 2.238 474 HD2 TYR 65 2HD TYR 65 -1.377 7.900 0.654 475 HE1 TYR 65 1HE TYR 65 0.936 4.562 3.500 476 HE2 TYR 65 2HE TYR 65 0.657 8.545 1.917 477 HH TYR 65 HH TYR 65 2.512 7.640 2.997 478 H TYR 66 H TYR 66 -3.466 2.838 0.306 479 HA TYR 66 HA TYR 66 -1.130 1.129 0.770 480 HB2 TYR 66 2HB TYR 66 -4.070 1.117 1.310 481 HB3 TYR 66 1HB TYR 66 -3.203 -0.418 1.403 482 HD1 TYR 66 2HD TYR 66 -1.405 -0.761 3.036 483 HD2 TYR 66 1HD TYR 66 -3.594 2.930 2.868 484 HE1 TYR 66 2HE TYR 66 -0.489 -0.116 5.247 485 HE2 TYR 66 1HE TYR 66 -2.676 3.576 5.078 486 HH TYR 66 HH TYR 66 -0.531 1.378 6.888 487 H SER 67 H SER 67 -3.187 1.671 -1.890 488 HA SER 67 HA SER 67 -3.646 -0.825 -3.068 489 HB2 SER 67 2HB SER 67 -4.012 1.679 -3.820 490 HB3 SER 67 1HB SER 67 -2.468 1.458 -4.638 491 HG SER 67 HG SER 67 -4.486 -0.480 -4.896 492 H ALA 68 H ALA 68 -0.618 0.802 -2.462 493 HA ALA 68 HA ALA 68 1.050 -0.597 -4.338 494 HB1 ALA 68 1HB ALA 68 2.012 1.311 -3.450 495 HB2 ALA 68 2HB ALA 68 2.738 0.107 -2.385 496 HB3 ALA 68 3HB ALA 68 1.335 1.030 -1.847 497 H VAL 69 H VAL 69 1.172 -1.018 -0.769 498 HA VAL 69 HA VAL 69 2.497 -3.443 -0.654 499 HB VAL 69 HB VAL 69 1.630 -1.986 1.237 500 HG11 VAL 69 1HG1 VAL 69 -0.902 -3.404 0.478 501 HG12 VAL 69 2HG1 VAL 69 -0.653 -1.694 0.827 502 HG13 VAL 69 3HG1 VAL 69 -0.630 -2.875 2.137 503 HG21 VAL 69 3HG2 VAL 69 0.836 -4.310 2.485 504 HG22 VAL 69 1HG2 VAL 69 2.505 -3.773 2.298 505 HG23 VAL 69 2HG2 VAL 69 1.805 -4.897 1.137 506 H CYS 70 H CYS 70 -0.831 -2.892 -1.629 507 HA CYS 70 HA CYS 70 -1.802 -5.578 -1.498 508 HB2 CYS 70 2HB CYS 70 -2.508 -2.982 -2.617 509 HB3 CYS 70 1HB CYS 70 -2.996 -4.298 -3.687 510 H GLY 71 H GLY 71 -0.619 -3.787 -4.378 511 HA2 GLY 71 2HA GLY 71 0.952 -4.702 -5.980 512 HA3 GLY 71 1HA GLY 71 0.582 -6.318 -5.373 513 H ARG 72 H ARG 72 -0.200 -7.346 -7.192 514 HA ARG 72 HA ARG 72 -1.625 -6.285 -9.350 515 HB2 ARG 72 2HB ARG 72 -1.307 -8.902 -7.996 516 HB3 ARG 72 1HB ARG 72 -2.713 -8.773 -9.054 517 HG2 ARG 72 2HG ARG 72 -0.745 -7.589 -10.572 518 HG3 ARG 72 1HG ARG 72 0.146 -8.868 -9.743 519 HD2 ARG 72 2HD ARG 72 -1.298 -10.572 -10.605 520 HD3 ARG 72 1HD ARG 72 -2.488 -9.377 -11.160 521 HE ARG 72 HE ARG 72 -1.180 -9.263 -13.119 522 HH11 ARG 72 1HH2 ARG 72 0.665 -11.480 -12.396 523 HH12 ARG 72 2HH2 ARG 72 2.205 -10.690 -12.362 524 HH21 ARG 72 1HH1 ARG 72 0.864 -7.498 -12.193 525 HH22 ARG 72 2HH1 ARG 72 2.318 -8.437 -12.247 526 H TYR 73 H TYR 73 -2.767 -7.009 -6.108 527 HA TYR 73 HA TYR 73 -5.606 -6.592 -6.874 528 HB2 TYR 73 2HB TYR 73 -4.122 -7.329 -4.335 529 HB3 TYR 73 1HB TYR 73 -5.865 -7.076 -4.376 530 HD1 TYR 73 1HD TYR 73 -5.143 -8.278 -7.537 531 HD2 TYR 73 2HD TYR 73 -5.296 -9.613 -3.457 532 HE1 TYR 73 1HE TYR 73 -5.459 -10.612 -8.309 533 HE2 TYR 73 2HE TYR 73 -5.612 -11.946 -4.230 534 HH TYR 73 HH TYR 73 -4.864 -13.104 -6.919 535 H PHE 74 H PHE 74 -6.788 -5.167 -5.086 536 HA PHE 74 HA PHE 74 -5.212 -2.639 -4.707 537 HB2 PHE 74 2HB PHE 74 -8.198 -2.894 -5.147 538 HB3 PHE 74 1HB PHE 74 -7.216 -1.435 -5.254 539 HD1 PHE 74 1HD PHE 74 -4.919 -2.217 -6.832 540 HD2 PHE 74 2HD PHE 74 -9.035 -3.357 -7.262 541 HE1 PHE 74 1HE PHE 74 -4.551 -2.641 -9.247 542 HE2 PHE 74 2HE PHE 74 -8.671 -3.784 -9.675 543 HZ PHE 74 HZ PHE 74 -6.425 -3.426 -10.671 544 H CYS 75 H CYS 75 -5.296 -1.803 -2.611 545 HA CYS 75 HA CYS 75 -6.529 -3.455 -0.532 546 HB2 CYS 75 2HB CYS 75 -4.421 -2.435 -0.057 547 HB3 CYS 75 1HB CYS 75 -4.965 -0.866 -0.650 548 H CYS 76 H CYS 76 -8.793 -3.318 -0.584 549 HA CYS 76 HA CYS 76 -10.136 -0.796 -1.169 550 HB2 CYS 76 2HB CYS 76 -11.261 -3.349 -0.006 551 HB3 CYS 76 1HB CYS 76 -12.122 -2.138 -0.948 552 H ARG 77 H ARG 77 -11.695 0.163 0.388 553 HA ARG 77 HA ARG 77 -11.303 -0.389 3.255 554 HB2 ARG 77 2HB ARG 77 -9.952 1.774 1.731 555 HB3 ARG 77 1HB ARG 77 -10.662 2.252 3.273 556 HG2 ARG 77 2HG ARG 77 -9.464 0.296 4.330 557 HG3 ARG 77 1HG ARG 77 -8.618 0.071 2.799 558 HD2 ARG 77 2HD ARG 77 -7.196 1.444 4.200 559 HD3 ARG 77 1HD ARG 77 -7.903 2.520 2.979 560 HE ARG 77 HE ARG 77 -9.703 2.423 5.170 561 HH11 ARG 77 1HH2 ARG 77 -7.606 4.490 3.732 562 HH12 ARG 77 2HH2 ARG 77 -7.122 5.337 5.164 563 HH21 ARG 77 1HH1 ARG 77 -8.616 3.074 7.327 564 HH22 ARG 77 2HH1 ARG 77 -7.694 4.535 7.199 565 H SER 78 H SER 78 -12.342 1.835 4.369 566 HA SER 78 HA SER 78 -14.946 2.256 2.935 567 HB2 SER 78 2HB SER 78 -15.594 2.572 5.526 568 HB3 SER 78 1HB SER 78 -15.571 0.986 4.759 569 HG SER 78 HG SER 78 -13.696 0.533 5.723 570 H ARG 79 H ARG 79 -15.006 4.359 2.250 571 HA ARG 79 HA ARG 79 -13.381 6.453 3.461 572 HB2 ARG 79 2HB ARG 79 -14.301 6.034 1.016 573 HB3 ARG 79 1HB ARG 79 -15.699 6.929 1.613 574 HG2 ARG 79 2HG ARG 79 -13.761 8.555 2.515 575 HG3 ARG 79 1HG ARG 79 -12.915 7.869 1.127 576 HD2 ARG 79 2HD ARG 79 -15.559 8.477 0.258 577 HD3 ARG 79 1HD ARG 79 -14.945 9.900 1.125 578 HE ARG 79 HE ARG 79 -12.834 9.589 -0.319 579 HH11 ARG 79 1HH1 ARG 79 -13.976 7.128 -1.701 580 HH12 ARG 79 2HH1 ARG 79 -14.525 7.806 -3.197 581 HH21 ARG 79 1HH2 ARG 79 -14.403 11.081 -2.064 582 HH22 ARG 79 2HH2 ARG 79 -14.767 10.044 -3.403 Start of MODEL 24 1 H1 ASN 1 1HT ASN 1 11.365 11.309 -9.278 2 H2 ASN 1 2HT ASN 1 10.175 12.127 -8.382 3 H3 ASN 1 3HT ASN 1 9.952 10.497 -8.809 4 HA ASN 1 HA ASN 1 12.307 11.208 -7.197 5 HB2 ASN 1 2HB ASN 1 9.638 11.945 -6.580 6 HB3 ASN 1 1HB ASN 1 10.015 10.550 -5.570 7 HD21 ASN 1 1HD2 ASN 1 10.254 13.895 -5.642 8 HD22 ASN 1 2HD2 ASN 1 11.538 14.093 -4.549 9 HA PRO 2 HA PRO 2 11.628 6.740 -8.082 10 HB2 PRO 2 2HB PRO 2 14.262 6.192 -8.583 11 HB3 PRO 2 1HB PRO 2 13.146 6.793 -9.827 12 HG2 PRO 2 2HG PRO 2 15.206 8.261 -8.263 13 HG3 PRO 2 1HG PRO 2 14.725 8.450 -9.956 14 HD2 PRO 2 2HD PRO 2 13.922 10.126 -7.947 15 HD3 PRO 2 1HD PRO 2 13.000 9.856 -9.443 16 H LEU 3 H LEU 3 11.179 6.608 -5.739 17 HA LEU 3 HA LEU 3 13.452 5.440 -4.244 18 HB2 LEU 3 2HB LEU 3 12.946 8.118 -4.035 19 HB3 LEU 3 1HB LEU 3 11.923 7.486 -2.744 20 HG LEU 3 HG LEU 3 14.653 6.338 -2.904 21 HD11 LEU 3 1HD1 LEU 3 15.838 8.210 -2.258 22 HD12 LEU 3 2HD1 LEU 3 14.425 8.985 -1.541 23 HD13 LEU 3 3HD1 LEU 3 14.638 8.983 -3.292 24 HD21 LEU 3 3HD2 LEU 3 12.537 6.361 -1.106 25 HD22 LEU 3 1HD2 LEU 3 13.682 7.499 -0.395 26 HD23 LEU 3 2HD2 LEU 3 14.184 5.845 -0.742 27 H ILE 4 H ILE 4 12.622 4.520 -2.110 28 HA ILE 4 HA ILE 4 10.342 2.870 -2.488 29 HB ILE 4 HB ILE 4 12.095 3.745 -0.222 30 HG12 ILE 4 2HG1 ILE 4 12.651 1.896 -1.850 31 HG13 ILE 4 1HG1 ILE 4 12.646 1.395 -0.159 32 HG21 ILE 4 1HG2 ILE 4 9.330 2.731 0.075 33 HG22 ILE 4 2HG2 ILE 4 10.341 3.592 1.233 34 HG23 ILE 4 3HG2 ILE 4 10.543 1.855 1.006 35 HD11 ILE 4 3HD1 ILE 4 10.151 1.141 -1.821 36 HD12 ILE 4 1HD1 ILE 4 10.608 0.250 -0.371 37 HD13 ILE 4 2HD1 ILE 4 11.405 -0.094 -1.906 38 HA PRO 5 HA PRO 5 7.086 5.676 -1.499 39 HB2 PRO 5 2HB PRO 5 5.106 3.840 -1.084 40 HB3 PRO 5 1HB PRO 5 5.706 4.260 -2.696 41 HG2 PRO 5 2HG PRO 5 6.258 1.870 -1.039 42 HG3 PRO 5 1HG PRO 5 6.148 2.025 -2.798 43 HD2 PRO 5 2HD PRO 5 8.504 1.861 -1.348 44 HD3 PRO 5 1HD PRO 5 8.361 2.489 -3.003 45 H ALA 6 H ALA 6 5.601 6.106 0.355 46 HA ALA 6 HA ALA 6 6.883 5.488 2.906 47 HB1 ALA 6 1HB ALA 6 6.185 7.665 2.950 48 HB2 ALA 6 2HB ALA 6 4.654 6.959 3.471 49 HB3 ALA 6 3HB ALA 6 4.903 7.372 1.774 50 H ILE 7 H ILE 7 3.983 4.531 1.162 51 HA ILE 7 HA ILE 7 2.401 3.490 3.247 52 HB ILE 7 HB ILE 7 1.581 3.623 0.997 53 HG12 ILE 7 2HG1 ILE 7 1.876 0.877 2.172 54 HG13 ILE 7 1HG1 ILE 7 0.427 1.850 1.953 55 HG21 ILE 7 1HG2 ILE 7 2.722 2.945 -0.862 56 HG22 ILE 7 2HG2 ILE 7 3.283 1.459 -0.099 57 HG23 ILE 7 3HG2 ILE 7 4.115 2.979 0.214 58 HD11 ILE 7 3HD1 ILE 7 1.954 0.314 -0.157 59 HD12 ILE 7 1HD1 ILE 7 0.705 1.497 -0.547 60 HD13 ILE 7 2HD1 ILE 7 0.294 0.052 0.376 61 H TYR 8 H TYR 8 4.907 1.786 1.363 62 HA TYR 8 HA TYR 8 4.821 -0.742 2.492 63 HB2 TYR 8 2HB TYR 8 7.087 1.042 1.588 64 HB3 TYR 8 1HB TYR 8 7.366 -0.632 2.062 65 HD1 TYR 8 2HD TYR 8 4.083 -0.361 0.786 66 HD2 TYR 8 1HD TYR 8 8.185 -0.546 -0.481 67 HE1 TYR 8 2HE TYR 8 3.355 -1.123 -1.454 68 HE2 TYR 8 1HE TYR 8 7.453 -1.308 -2.724 69 HH TYR 8 HH TYR 8 5.238 -2.598 -3.595 70 H ILE 9 H ILE 9 5.962 2.231 3.975 71 HA ILE 9 HA ILE 9 7.448 1.058 6.130 72 HB ILE 9 HB ILE 9 5.865 3.641 5.900 73 HG12 ILE 9 2HG1 ILE 9 8.796 2.984 5.454 74 HG13 ILE 9 1HG1 ILE 9 7.628 3.421 4.208 75 HG21 ILE 9 1HG2 ILE 9 8.202 3.242 7.741 76 HG22 ILE 9 2HG2 ILE 9 6.605 2.695 8.250 77 HG23 ILE 9 3HG2 ILE 9 6.872 4.394 7.861 78 HD11 ILE 9 3HD1 ILE 9 7.788 5.333 6.449 79 HD12 ILE 9 1HD1 ILE 9 7.731 5.636 4.712 80 HD13 ILE 9 2HD1 ILE 9 9.260 5.214 5.484 81 H GLY 10 H GLY 10 6.633 -0.297 7.641 82 HA2 GLY 10 2HA GLY 10 5.154 -1.220 9.218 83 HA3 GLY 10 1HA GLY 10 4.301 0.328 9.203 84 H ALA 11 H ALA 11 4.888 -1.531 6.298 85 HA ALA 11 HA ALA 11 1.918 -1.869 6.005 86 HB1 ALA 11 1HB ALA 11 3.785 -0.696 4.403 87 HB2 ALA 11 2HB ALA 11 2.271 -1.370 3.801 88 HB3 ALA 11 3HB ALA 11 3.752 -2.323 3.726 89 H THR 12 H THR 12 1.963 -3.825 3.985 90 HA THR 12 HA THR 12 3.468 -6.170 4.991 91 HB THR 12 HB THR 12 0.484 -5.763 5.266 92 HG1 THR 12 1HG THR 12 1.787 -5.253 7.040 93 HG21 THR 12 3HG2 THR 12 1.924 -8.196 4.560 94 HG22 THR 12 1HG2 THR 12 0.186 -7.898 4.611 95 HG23 THR 12 2HG2 THR 12 1.044 -8.367 6.079 96 H VAL 13 H VAL 13 4.284 -6.259 2.795 97 HA VAL 13 HA VAL 13 2.295 -6.547 0.603 98 HB VAL 13 HB VAL 13 4.216 -6.253 -0.812 99 HG11 VAL 13 1HG1 VAL 13 4.367 -4.622 1.725 100 HG12 VAL 13 2HG1 VAL 13 3.713 -4.154 0.158 101 HG13 VAL 13 3HG1 VAL 13 5.453 -4.322 0.370 102 HG21 VAL 13 3HG2 VAL 13 5.585 -7.500 1.468 103 HG22 VAL 13 1HG2 VAL 13 6.479 -6.146 0.775 104 HG23 VAL 13 2HG2 VAL 13 6.017 -7.509 -0.242 105 H GLY 14 H GLY 14 2.773 -8.392 -0.989 106 HA2 GLY 14 2HA GLY 14 2.944 -10.908 0.536 107 HA3 GLY 14 1HA GLY 14 2.488 -10.754 -1.162 108 HA PRO 15 HA PRO 15 6.814 -12.299 -1.043 109 HB2 PRO 15 2HB PRO 15 6.428 -14.277 -2.893 110 HB3 PRO 15 1HB PRO 15 6.122 -14.503 -1.160 111 HG2 PRO 15 2HG PRO 15 4.199 -14.012 -3.370 112 HG3 PRO 15 1HG PRO 15 4.035 -15.034 -1.935 113 HD2 PRO 15 2HD PRO 15 2.899 -12.551 -2.194 114 HD3 PRO 15 1HD PRO 15 3.295 -13.310 -0.638 115 H SER 16 H SER 16 4.623 -11.818 -3.817 116 HA SER 16 HA SER 16 6.683 -11.367 -5.780 117 HB2 SER 16 2HB SER 16 4.395 -11.965 -6.359 118 HB3 SER 16 1HB SER 16 3.775 -10.527 -5.553 119 HG SER 16 HG SER 16 4.882 -9.274 -7.090 120 H VAL 17 H VAL 17 4.564 -9.046 -4.036 121 HA VAL 17 HA VAL 17 5.795 -6.669 -4.984 122 HB VAL 17 HB VAL 17 4.460 -7.316 -2.333 123 HG11 VAL 17 1HG1 VAL 17 5.582 -5.202 -2.121 124 HG12 VAL 17 2HG1 VAL 17 3.884 -4.842 -2.429 125 HG13 VAL 17 3HG1 VAL 17 5.066 -4.697 -3.730 126 HG21 VAL 17 3HG2 VAL 17 2.411 -6.597 -3.413 127 HG22 VAL 17 1HG2 VAL 17 3.155 -7.833 -4.427 128 HG23 VAL 17 2HG2 VAL 17 3.290 -6.132 -4.869 129 H TRP 18 H TRP 18 6.465 -8.562 -2.020 130 HA TRP 18 HA TRP 18 8.464 -6.997 -0.847 131 HB2 TRP 18 2HB TRP 18 7.540 -9.071 0.087 132 HB3 TRP 18 1HB TRP 18 8.294 -10.008 -1.198 133 HD1 TRP 18 HD TRP 18 10.999 -10.104 -1.219 134 HE1 TRP 18 1HE TRP 18 12.689 -9.941 0.721 135 HE3 TRP 18 3HE TRP 18 8.021 -8.028 2.374 136 HZ2 TRP 18 2HZ TRP 18 12.768 -9.049 3.438 137 HZ3 TRP 18 3HZ TRP 18 8.928 -7.532 4.627 138 HH2 TRP 18 HH TRP 18 11.295 -8.040 5.162 139 H ALA 19 H ALA 19 9.174 -9.775 -2.982 140 HA ALA 19 HA ALA 19 11.861 -9.401 -3.478 141 HB1 ALA 19 1HB ALA 19 10.009 -11.040 -4.414 142 HB2 ALA 19 2HB ALA 19 11.488 -10.768 -5.336 143 HB3 ALA 19 3HB ALA 19 10.004 -9.923 -5.778 144 H TYR 20 H TYR 20 9.190 -7.645 -5.046 145 HA TYR 20 HA TYR 20 10.712 -6.156 -6.933 146 HB2 TYR 20 2HB TYR 20 8.200 -6.407 -6.700 147 HB3 TYR 20 1HB TYR 20 8.275 -5.254 -5.369 148 HD1 TYR 20 2HD TYR 20 8.916 -5.703 -9.002 149 HD2 TYR 20 1HD TYR 20 8.552 -2.912 -5.758 150 HE1 TYR 20 2HE TYR 20 8.903 -3.823 -10.620 151 HE2 TYR 20 1HE TYR 20 8.537 -1.033 -7.376 152 HH TYR 20 HH TYR 20 8.490 -0.459 -9.522 153 H LEU 21 H LEU 21 9.540 -5.064 -3.729 154 HA LEU 21 HA LEU 21 10.884 -2.611 -3.569 155 HB2 LEU 21 2HB LEU 21 9.200 -3.910 -2.019 156 HB3 LEU 21 1HB LEU 21 10.665 -4.470 -1.215 157 HG LEU 21 HG LEU 21 9.957 -1.562 -1.702 158 HD11 LEU 21 1HD1 LEU 21 8.469 -2.517 -0.035 159 HD12 LEU 21 2HD1 LEU 21 9.675 -1.534 0.793 160 HD13 LEU 21 3HD1 LEU 21 9.823 -3.291 0.786 161 HD21 LEU 21 3HD2 LEU 21 12.315 -1.695 -1.599 162 HD22 LEU 21 1HD2 LEU 21 12.278 -2.990 -0.404 163 HD23 LEU 21 2HD2 LEU 21 11.853 -1.344 0.066 164 H VAL 22 H VAL 22 12.127 -5.875 -2.900 165 HA VAL 22 HA VAL 22 14.601 -5.182 -1.697 166 HB VAL 22 HB VAL 22 13.672 -7.449 -3.470 167 HG11 VAL 22 1HG1 VAL 22 15.790 -8.181 -3.663 168 HG12 VAL 22 2HG1 VAL 22 15.951 -8.178 -1.906 169 HG13 VAL 22 3HG1 VAL 22 16.365 -6.735 -2.832 170 HG21 VAL 22 3HG2 VAL 22 13.641 -6.796 -0.601 171 HG22 VAL 22 1HG2 VAL 22 14.258 -8.411 -0.951 172 HG23 VAL 22 2HG2 VAL 22 12.650 -7.943 -1.501 173 H ALA 23 H ALA 23 13.851 -5.743 -5.139 174 HA ALA 23 HA ALA 23 16.416 -5.227 -6.211 175 HB1 ALA 23 1HB ALA 23 14.785 -4.389 -8.171 176 HB2 ALA 23 2HB ALA 23 13.573 -5.120 -7.119 177 HB3 ALA 23 3HB ALA 23 14.908 -6.093 -7.736 178 H LEU 24 H LEU 24 13.711 -2.955 -5.622 179 HA LEU 24 HA LEU 24 14.906 -0.601 -6.634 180 HB2 LEU 24 2HB LEU 24 12.536 -1.220 -5.652 181 HB3 LEU 24 1HB LEU 24 13.225 -0.619 -4.144 182 HG LEU 24 HG LEU 24 13.761 1.519 -5.201 183 HD11 LEU 24 1HD1 LEU 24 12.993 -0.008 -7.641 184 HD12 LEU 24 2HD1 LEU 24 14.235 1.227 -7.431 185 HD13 LEU 24 3HD1 LEU 24 12.543 1.697 -7.595 186 HD21 LEU 24 3HD2 LEU 24 11.332 0.794 -4.390 187 HD22 LEU 24 1HD2 LEU 24 10.945 1.020 -6.096 188 HD23 LEU 24 2HD2 LEU 24 11.598 2.361 -5.155 189 H VAL 25 H VAL 25 15.062 -1.984 -3.341 190 HA VAL 25 HA VAL 25 17.416 -0.202 -2.822 191 HB VAL 25 HB VAL 25 15.737 0.692 -1.465 192 HG11 VAL 25 1HG1 VAL 25 14.279 -1.112 -0.108 193 HG12 VAL 25 2HG1 VAL 25 14.653 -2.080 -1.533 194 HG13 VAL 25 3HG1 VAL 25 13.817 -0.539 -1.711 195 HG21 VAL 25 3HG2 VAL 25 16.683 0.429 0.561 196 HG22 VAL 25 1HG2 VAL 25 17.718 -0.782 -0.194 197 HG23 VAL 25 2HG2 VAL 25 16.240 -1.276 0.632 198 H GLY 26 H GLY 26 16.161 -2.669 -0.628 199 HA2 GLY 26 2HA GLY 26 17.735 -4.877 -1.412 200 HA3 GLY 26 1HA GLY 26 18.717 -3.907 -0.313 201 H ALA 27 H ALA 27 17.984 -6.459 0.468 202 HA ALA 27 HA ALA 27 15.547 -6.680 1.920 203 HB1 ALA 27 1HB ALA 27 17.798 -8.080 3.116 204 HB2 ALA 27 2HB ALA 27 17.847 -8.186 1.356 205 HB3 ALA 27 3HB ALA 27 16.422 -8.742 2.233 206 H ALA 28 H ALA 28 18.474 -4.937 2.647 207 HA ALA 28 HA ALA 28 18.181 -4.870 5.516 208 HB1 ALA 28 1HB ALA 28 20.211 -4.381 3.973 209 HB2 ALA 28 2HB ALA 28 19.995 -3.345 5.383 210 HB3 ALA 28 3HB ALA 28 19.502 -2.777 3.788 211 H ALA 29 H ALA 29 17.739 -2.226 3.141 212 HA ALA 29 HA ALA 29 16.251 -0.537 4.902 213 HB1 ALA 29 1HB ALA 29 17.270 -0.506 2.292 214 HB2 ALA 29 2HB ALA 29 16.417 0.817 3.085 215 HB3 ALA 29 3HB ALA 29 15.529 -0.328 2.079 216 H VAL 30 H VAL 30 15.373 -3.333 3.016 217 HA VAL 30 HA VAL 30 12.534 -2.887 2.859 218 HB VAL 30 HB VAL 30 14.388 -5.272 2.760 219 HG11 VAL 30 1HG1 VAL 30 12.222 -6.011 3.721 220 HG12 VAL 30 2HG1 VAL 30 12.468 -6.653 2.098 221 HG13 VAL 30 3HG1 VAL 30 11.382 -5.286 2.351 222 HG21 VAL 30 3HG2 VAL 30 12.587 -4.581 0.522 223 HG22 VAL 30 1HG2 VAL 30 14.307 -4.973 0.502 224 HG23 VAL 30 2HG2 VAL 30 13.779 -3.342 0.915 225 H THR 31 H THR 31 14.662 -4.400 5.276 226 HA THR 31 HA THR 31 12.392 -5.215 6.971 227 HB THR 31 HB THR 31 15.378 -5.169 7.514 228 HG1 THR 31 1HG THR 31 13.846 -7.332 6.540 229 HG21 THR 31 3HG2 THR 31 12.994 -6.490 8.779 230 HG22 THR 31 1HG2 THR 31 14.325 -5.630 9.552 231 HG23 THR 31 2HG2 THR 31 14.584 -7.245 8.891 232 H ALA 32 H ALA 32 14.579 -2.504 6.662 233 HA ALA 32 HA ALA 32 14.199 -1.469 9.360 234 HB1 ALA 32 1HB ALA 32 15.160 0.614 8.101 235 HB2 ALA 32 2HB ALA 32 15.331 -0.496 6.740 236 HB3 ALA 32 3HB ALA 32 16.177 -0.820 8.254 237 H ALA 33 H ALA 33 12.463 -1.281 6.341 238 HA ALA 33 HA ALA 33 10.883 1.077 7.171 239 HB1 ALA 33 1HB ALA 33 9.826 0.655 4.933 240 HB2 ALA 33 2HB ALA 33 10.829 -0.788 4.775 241 HB3 ALA 33 3HB ALA 33 11.581 0.806 4.846 242 H ASN 34 H ASN 34 10.817 -1.624 8.609 243 HA ASN 34 HA ASN 34 9.201 -3.161 9.420 244 HB2 ASN 34 2HB ASN 34 8.761 -0.895 10.436 245 HB3 ASN 34 1HB ASN 34 7.537 -0.637 9.194 246 HD21 ASN 34 1HD2 ASN 34 7.755 -1.522 12.349 247 HD22 ASN 34 2HD2 ASN 34 6.433 -2.581 12.458 248 H ILE 35 H ILE 35 9.187 -4.255 7.222 249 HA ILE 35 HA ILE 35 6.552 -3.872 5.837 250 HB ILE 35 HB ILE 35 9.291 -4.761 4.892 251 HG12 ILE 35 2HG1 ILE 35 7.506 -2.632 3.716 252 HG13 ILE 35 1HG1 ILE 35 8.543 -2.276 5.097 253 HG21 ILE 35 1HG2 ILE 35 8.097 -4.956 2.635 254 HG22 ILE 35 2HG2 ILE 35 6.589 -4.978 3.551 255 HG23 ILE 35 3HG2 ILE 35 7.786 -6.250 3.793 256 HD11 ILE 35 3HD1 ILE 35 9.756 -3.670 2.745 257 HD12 ILE 35 1HD1 ILE 35 10.494 -2.539 3.878 258 HD13 ILE 35 2HD1 ILE 35 9.422 -1.944 2.609 259 H ARG 36 H ARG 36 5.175 -5.588 6.086 260 HA ARG 36 HA ARG 36 6.259 -8.132 7.193 261 HB2 ARG 36 2HB ARG 36 3.744 -6.569 7.285 262 HB3 ARG 36 1HB ARG 36 3.538 -8.321 7.253 263 HG2 ARG 36 2HG ARG 36 5.444 -8.259 9.087 264 HG3 ARG 36 1HG ARG 36 4.869 -6.608 9.320 265 HD2 ARG 36 2HD ARG 36 2.527 -8.155 9.157 266 HD3 ARG 36 1HD ARG 36 3.634 -9.093 10.180 267 HE ARG 36 HE ARG 36 4.019 -6.687 11.268 268 HH11 ARG 36 1HH2 ARG 36 1.679 -8.752 11.910 269 HH12 ARG 36 2HH2 ARG 36 0.402 -7.618 12.203 270 HH21 ARG 36 1HH1 ARG 36 2.128 -4.927 10.861 271 HH22 ARG 36 2HH1 ARG 36 0.657 -5.452 11.608 272 H ARG 37 H ARG 37 5.890 -10.115 6.142 273 HA ARG 37 HA ARG 37 5.272 -9.943 3.250 274 HB2 ARG 37 2HB ARG 37 6.735 -11.679 5.130 275 HB3 ARG 37 1HB ARG 37 5.862 -12.566 3.880 276 HG2 ARG 37 2HG ARG 37 6.908 -10.949 2.198 277 HG3 ARG 37 1HG ARG 37 7.967 -10.427 3.510 278 HD2 ARG 37 2HD ARG 37 8.576 -12.898 3.822 279 HD3 ARG 37 1HD ARG 37 7.778 -13.181 2.263 280 HE ARG 37 HE ARG 37 9.375 -11.109 1.604 281 HH11 ARG 37 1HH2 ARG 37 10.959 -11.800 4.134 282 HH12 ARG 37 2HH2 ARG 37 12.210 -12.799 3.473 283 HH21 ARG 37 1HH1 ARG 37 10.570 -13.317 0.462 284 HH22 ARG 37 2HH1 ARG 37 11.988 -13.660 1.395 285 H ALA 38 H ALA 38 3.519 -11.092 2.307 286 HA ALA 38 HA ALA 38 1.531 -12.231 4.248 287 HB1 ALA 38 1HB ALA 38 0.502 -10.277 3.565 288 HB2 ALA 38 2HB ALA 38 -0.014 -11.328 2.246 289 HB3 ALA 38 3HB ALA 38 1.361 -10.245 2.024 290 H SER 39 H SER 39 0.285 -14.026 3.438 291 HA SER 39 HA SER 39 1.524 -16.058 2.049 292 HB2 SER 39 2HB SER 39 -0.703 -16.051 3.239 293 HB3 SER 39 1HB SER 39 -1.407 -15.312 1.804 294 HG SER 39 HG SER 39 -1.654 -17.375 1.326 295 H SER 40 H SER 40 0.050 -13.184 0.673 296 HA SER 40 HA SER 40 1.355 -13.596 -1.886 297 HB2 SER 40 2HB SER 40 -1.475 -14.437 -1.418 298 HB3 SER 40 1HB SER 40 -1.092 -13.684 -2.964 299 HG SER 40 HG SER 40 -0.426 -16.151 -1.980 300 H ASP 41 H ASP 41 -0.268 -12.049 -3.515 301 HA ASP 41 HA ASP 41 0.235 -9.380 -2.596 302 HB2 ASP 41 2HB ASP 41 -1.499 -10.566 -4.784 303 HB3 ASP 41 1HB ASP 41 -1.161 -8.841 -4.637 304 H ASN 42 H ASN 42 -2.307 -11.570 -1.888 305 HA ASN 42 HA ASN 42 -4.264 -9.419 -1.284 306 HB2 ASN 42 2HB ASN 42 -5.048 -11.401 -2.441 307 HB3 ASN 42 1HB ASN 42 -4.327 -12.449 -1.218 308 HD21 ASN 42 1HD2 ASN 42 -6.797 -13.143 -1.218 309 HD22 ASN 42 2HD2 ASN 42 -7.785 -12.328 -0.103 310 H HIS 43 H HIS 43 -3.645 -8.416 0.647 311 HA HIS 43 HA HIS 43 -3.621 -10.136 3.072 312 HB2 HIS 43 2HB HIS 43 -1.595 -8.646 3.785 313 HB3 HIS 43 1HB HIS 43 -1.310 -9.988 2.682 314 HD1 HIS 43 1HD HIS 43 -1.299 -6.255 2.868 315 HD2 HIS 43 2HD HIS 43 -0.797 -9.204 -0.033 316 HE1 HIS 43 1HE HIS 43 -0.257 -5.107 0.854 317 H SER 44 H SER 44 -3.394 -8.486 5.058 318 HA SER 44 HA SER 44 -5.606 -6.565 4.752 319 HB2 SER 44 2HB SER 44 -4.841 -6.283 7.289 320 HB3 SER 44 1HB SER 44 -5.726 -7.713 6.769 321 HG SER 44 HG SER 44 -3.909 -8.876 6.833 322 H CYS 45 H CYS 45 -5.318 -4.361 4.539 323 HA CYS 45 HA CYS 45 -2.531 -3.310 4.904 324 HB2 CYS 45 2HB CYS 45 -3.281 -1.685 3.066 325 HB3 CYS 45 1HB CYS 45 -3.031 -3.353 2.580 326 H ALA 46 H ALA 46 -2.648 -0.806 5.126 327 HA ALA 46 HA ALA 46 -3.263 0.969 6.582 328 HB1 ALA 46 1HB ALA 46 -5.651 1.518 6.378 329 HB2 ALA 46 2HB ALA 46 -5.993 -0.117 5.813 330 HB3 ALA 46 3HB ALA 46 -5.031 0.976 4.818 331 H GLY 47 H GLY 47 -2.821 -1.716 7.761 332 HA2 GLY 47 2HA GLY 47 -3.008 -2.672 9.900 333 HA3 GLY 47 1HA GLY 47 -3.867 -1.214 10.404 334 H ASN 48 H ASN 48 -5.585 -2.279 11.471 335 HA ASN 48 HA ASN 48 -7.104 -4.364 10.088 336 HB2 ASN 48 2HB ASN 48 -6.794 -3.225 12.757 337 HB3 ASN 48 1HB ASN 48 -8.488 -3.518 12.361 338 HD21 ASN 48 1HD2 ASN 48 -6.993 -5.081 14.320 339 HD22 ASN 48 2HD2 ASN 48 -6.906 -6.672 13.735 340 H ARG 49 H ARG 49 -7.064 -1.847 8.671 341 HA ARG 49 HA ARG 49 -9.847 -0.837 9.091 342 HB2 ARG 49 2HB ARG 49 -7.250 0.329 8.140 343 HB3 ARG 49 1HB ARG 49 -8.768 1.075 7.642 344 HG2 ARG 49 2HG ARG 49 -8.960 0.531 10.431 345 HG3 ARG 49 1HG ARG 49 -7.409 1.324 10.151 346 HD2 ARG 49 2HD ARG 49 -8.398 3.312 9.639 347 HD3 ARG 49 1HD ARG 49 -9.647 2.530 8.649 348 HE ARG 49 HE ARG 49 -9.754 2.826 11.615 349 HH11 ARG 49 1HH1 ARG 49 -11.609 3.775 9.209 350 HH12 ARG 49 2HH1 ARG 49 -13.002 2.805 9.551 351 HH21 ARG 49 1HH2 ARG 49 -11.347 0.754 11.805 352 HH22 ARG 49 2HH2 ARG 49 -12.853 1.093 11.021 353 H GLY 50 H GLY 50 -7.503 -1.826 6.580 354 HA2 GLY 50 2HA GLY 50 -9.858 -2.292 4.795 355 HA3 GLY 50 1HA GLY 50 -8.408 -1.504 4.181 356 H TRP 51 H TRP 51 -9.155 -3.703 2.864 357 HA TRP 51 HA TRP 51 -7.122 -5.741 3.686 358 HB2 TRP 51 2HB TRP 51 -10.054 -5.943 3.291 359 HB3 TRP 51 1HB TRP 51 -9.107 -7.215 2.524 360 HD1 TRP 51 HD TRP 51 -10.597 -6.302 5.745 361 HE1 TRP 51 1HE TRP 51 -9.680 -7.792 7.639 362 HE3 TRP 51 3HE TRP 51 -6.622 -8.428 3.348 363 HZ2 TRP 51 2HZ TRP 51 -7.541 -9.642 8.079 364 HZ3 TRP 51 3HZ TRP 51 -5.163 -10.046 4.525 365 HH2 TRP 51 HH TRP 51 -5.616 -10.657 6.884 366 H CYS 52 H CYS 52 -6.859 -7.310 1.641 367 HA CYS 52 HA CYS 52 -6.637 -5.520 -0.747 368 HB2 CYS 52 2HB CYS 52 -4.675 -6.726 0.486 369 HB3 CYS 52 1HB CYS 52 -5.259 -8.164 -0.351 370 H ARG 53 H ARG 53 -8.256 -5.866 -2.200 371 HA ARG 53 HA ARG 53 -9.074 -8.690 -2.786 372 HB2 ARG 53 2HB ARG 53 -10.838 -6.221 -2.659 373 HB3 ARG 53 1HB ARG 53 -11.379 -7.871 -2.935 374 HG2 ARG 53 2HG ARG 53 -11.454 -8.279 -0.728 375 HG3 ARG 53 1HG ARG 53 -9.787 -7.739 -0.528 376 HD2 ARG 53 2HD ARG 53 -10.567 -5.380 -0.488 377 HD3 ARG 53 1HD ARG 53 -12.243 -5.953 -0.613 378 HE ARG 53 HE ARG 53 -10.689 -7.188 1.554 379 HH11 ARG 53 1HH2 ARG 53 -10.803 -4.274 2.186 380 HH12 ARG 53 2HH2 ARG 53 -12.300 -4.141 3.046 381 HH21 ARG 53 1HH1 ARG 53 -13.506 -7.203 1.954 382 HH22 ARG 53 2HH1 ARG 53 -13.831 -5.798 2.915 383 H SER 54 H SER 54 -9.344 -9.103 -5.029 384 HA SER 54 HA SER 54 -8.000 -7.609 -6.972 385 HB2 SER 54 2HB SER 54 -8.698 -9.750 -7.614 386 HB3 SER 54 1HB SER 54 -10.316 -9.523 -6.955 387 HG SER 54 HG SER 54 -9.395 -7.943 -9.098 388 H LYS 55 H LYS 55 -11.392 -7.385 -5.973 389 HA LYS 55 HA LYS 55 -11.514 -4.642 -7.142 390 HB2 LYS 55 2HB LYS 55 -12.832 -5.618 -8.724 391 HB3 LYS 55 1HB LYS 55 -12.966 -7.109 -7.804 392 HG2 LYS 55 2HG LYS 55 -14.705 -6.097 -6.393 393 HG3 LYS 55 1HG LYS 55 -14.575 -4.587 -7.297 394 HD2 LYS 55 2HD LYS 55 -14.912 -6.542 -9.267 395 HD3 LYS 55 1HD LYS 55 -16.022 -7.022 -7.982 396 HE2 LYS 55 2HE LYS 55 -17.271 -5.051 -8.140 397 HE3 LYS 55 1HE LYS 55 -15.920 -4.137 -8.843 398 HZ1 LYS 55 3HZ LYS 55 -16.836 -6.496 -10.295 399 HZ2 LYS 55 1HZ LYS 55 -16.253 -5.020 -10.891 400 HZ3 LYS 55 2HZ LYS 55 -17.854 -5.137 -10.333 401 H CYS 56 H CYS 56 -12.840 -3.207 -5.866 402 HA CYS 56 HA CYS 56 -13.463 -4.245 -3.138 403 HB2 CYS 56 2HB CYS 56 -13.414 -1.370 -4.068 404 HB3 CYS 56 1HB CYS 56 -13.181 -1.987 -2.437 405 H PHE 57 H PHE 57 -15.494 -3.444 -2.120 406 HA PHE 57 HA PHE 57 -17.773 -3.726 -3.928 407 HB2 PHE 57 2HB PHE 57 -17.691 -2.996 -0.988 408 HB3 PHE 57 1HB PHE 57 -19.003 -3.791 -1.857 409 HD1 PHE 57 1HD PHE 57 -17.893 -5.885 -3.384 410 HD2 PHE 57 2HD PHE 57 -16.604 -4.461 0.459 411 HE1 PHE 57 1HE PHE 57 -16.875 -8.096 -2.905 412 HE2 PHE 57 2HE PHE 57 -15.586 -6.671 0.937 413 HZ PHE 57 HZ PHE 57 -15.722 -8.489 -0.745 414 H ARG 58 H ARG 58 -19.608 -2.094 -3.780 415 HA ARG 58 HA ARG 58 -18.714 0.529 -4.503 416 HB2 ARG 58 2HB ARG 58 -20.905 -0.932 -4.939 417 HB3 ARG 58 1HB ARG 58 -21.495 -0.016 -3.554 418 HG2 ARG 58 2HG ARG 58 -21.424 2.003 -4.677 419 HG3 ARG 58 1HG ARG 58 -20.108 1.488 -5.733 420 HD2 ARG 58 2HD ARG 58 -22.552 -0.107 -6.097 421 HD3 ARG 58 1HD ARG 58 -22.765 1.611 -6.489 422 HE ARG 58 HE ARG 58 -20.263 0.589 -7.536 423 HH11 ARG 58 1HH2 ARG 58 -22.368 -1.356 -8.515 424 HH12 ARG 58 2HH2 ARG 58 -22.844 -0.624 -10.011 425 HH21 ARG 58 1HH1 ARG 58 -21.433 2.453 -9.262 426 HH22 ARG 58 2HH1 ARG 58 -22.317 1.533 -10.433 427 H HIS 59 H HIS 59 -20.106 -0.809 -1.518 428 HA HIS 59 HA HIS 59 -20.380 1.669 -0.104 429 HB2 HIS 59 2HB HIS 59 -21.371 -0.579 0.454 430 HB3 HIS 59 1HB HIS 59 -19.767 -1.105 0.964 431 HD1 HIS 59 1HD HIS 59 -18.772 -0.009 3.119 432 HD2 HIS 59 2HD HIS 59 -22.665 1.200 2.245 433 HE1 HIS 59 1HE HIS 59 -19.637 1.169 5.187 434 H GLU 60 H GLU 60 -17.592 0.014 -1.152 435 HA GLU 60 HA GLU 60 -15.907 1.506 0.831 436 HB2 GLU 60 2HB GLU 60 -15.846 -1.293 -0.264 437 HB3 GLU 60 1HB GLU 60 -14.344 -0.537 0.258 438 HG2 GLU 60 2HG GLU 60 -15.842 0.081 2.388 439 HG3 GLU 60 1HG GLU 60 -16.707 -1.369 1.875 440 H TYR 61 H TYR 61 -13.520 1.560 -0.195 441 HA TYR 61 HA TYR 61 -13.770 2.167 -3.120 442 HB2 TYR 61 2HB TYR 61 -12.407 4.168 -2.736 443 HB3 TYR 61 1HB TYR 61 -13.839 4.218 -1.718 444 HD1 TYR 61 2HD TYR 61 -13.569 3.200 0.693 445 HD2 TYR 61 1HD TYR 61 -10.289 4.482 -1.769 446 HE1 TYR 61 2HE TYR 61 -12.138 3.408 2.708 447 HE2 TYR 61 1HE TYR 61 -8.863 4.695 0.253 448 HH TYR 61 HH TYR 61 -8.701 4.222 2.442 449 H VAL 62 H VAL 62 -11.215 2.800 -3.693 450 HA VAL 62 HA VAL 62 -9.709 0.310 -2.972 451 HB VAL 62 HB VAL 62 -9.793 2.121 -5.398 452 HG11 VAL 62 1HG1 VAL 62 -7.661 0.301 -4.434 453 HG12 VAL 62 2HG1 VAL 62 -7.560 1.666 -5.546 454 HG13 VAL 62 3HG1 VAL 62 -8.124 0.099 -6.123 455 HG21 VAL 62 3HG2 VAL 62 -10.851 0.366 -6.452 456 HG22 VAL 62 1HG2 VAL 62 -11.368 0.024 -4.801 457 HG23 VAL 62 2HG2 VAL 62 -10.006 -0.853 -5.499 458 H ASP 63 H ASP 63 -8.774 1.305 -1.048 459 HA ASP 63 HA ASP 63 -7.576 3.722 -0.611 460 HB2 ASP 63 2HB ASP 63 -7.597 1.388 0.661 461 HB3 ASP 63 1HB ASP 63 -5.974 1.262 -0.016 462 H THR 64 H THR 64 -6.797 4.664 -2.577 463 HA THR 64 HA THR 64 -4.938 3.528 -4.391 464 HB THR 64 HB THR 64 -4.329 6.115 -4.548 465 HG1 THR 64 1HG THR 64 -5.185 6.924 -2.755 466 HG21 THR 64 3HG2 THR 64 -7.200 5.648 -5.115 467 HG22 THR 64 1HG2 THR 64 -6.078 4.488 -5.824 468 HG23 THR 64 2HG2 THR 64 -5.915 6.206 -6.187 469 H TYR 65 H TYR 65 -4.450 4.974 -1.228 470 HA TYR 65 HA TYR 65 -1.601 5.357 -1.390 471 HB2 TYR 65 2HB TYR 65 -3.251 6.349 0.239 472 HB3 TYR 65 1HB TYR 65 -3.356 4.771 1.013 473 HD1 TYR 65 1HD TYR 65 -1.465 3.834 2.248 474 HD2 TYR 65 2HD TYR 65 -1.220 7.705 0.403 475 HE1 TYR 65 1HE TYR 65 0.578 4.330 3.563 476 HE2 TYR 65 2HE TYR 65 0.824 8.201 1.717 477 HH TYR 65 HH TYR 65 1.697 6.924 4.308 478 H TYR 66 H TYR 66 -3.536 2.786 0.180 479 HA TYR 66 HA TYR 66 -1.170 1.148 0.655 480 HB2 TYR 66 2HB TYR 66 -4.100 1.063 1.182 481 HB3 TYR 66 1HB TYR 66 -3.213 -0.464 1.247 482 HD1 TYR 66 1HD TYR 66 -0.914 -0.375 2.545 483 HD2 TYR 66 2HD TYR 66 -4.131 2.416 3.093 484 HE1 TYR 66 1HE TYR 66 0.003 0.243 4.763 485 HE2 TYR 66 2HE TYR 66 -3.214 3.035 5.313 486 HH TYR 66 HH TYR 66 -1.172 2.966 6.541 487 H SER 67 H SER 67 -3.017 1.662 -2.110 488 HA SER 67 HA SER 67 -3.393 -0.933 -3.214 489 HB2 SER 67 2HB SER 67 -3.406 1.830 -4.005 490 HB3 SER 67 1HB SER 67 -2.545 0.902 -5.228 491 HG SER 67 HG SER 67 -4.736 0.849 -5.685 492 H ALA 68 H ALA 68 -0.493 0.792 -2.486 493 HA ALA 68 HA ALA 68 1.250 -0.409 -4.463 494 HB1 ALA 68 1HB ALA 68 2.459 0.437 -1.938 495 HB2 ALA 68 2HB ALA 68 1.319 1.624 -2.570 496 HB3 ALA 68 3HB ALA 68 2.679 1.095 -3.558 497 H VAL 69 H VAL 69 0.620 -1.133 -0.998 498 HA VAL 69 HA VAL 69 2.438 -3.389 -0.949 499 HB VAL 69 HB VAL 69 1.624 -1.976 1.002 500 HG11 VAL 69 1HG1 VAL 69 -0.547 -3.049 2.007 501 HG12 VAL 69 2HG1 VAL 69 -0.896 -3.437 0.324 502 HG13 VAL 69 3HG1 VAL 69 -0.673 -1.758 0.814 503 HG21 VAL 69 3HG2 VAL 69 0.942 -4.479 2.127 504 HG22 VAL 69 1HG2 VAL 69 2.515 -3.681 2.149 505 HG23 VAL 69 2HG2 VAL 69 2.109 -4.791 0.844 506 H CYS 70 H CYS 70 -0.906 -2.916 -1.841 507 HA CYS 70 HA CYS 70 -1.804 -5.640 -1.674 508 HB2 CYS 70 2HB CYS 70 -2.642 -3.050 -2.710 509 HB3 CYS 70 1HB CYS 70 -3.131 -4.360 -3.786 510 H GLY 71 H GLY 71 -0.557 -3.742 -4.455 511 HA2 GLY 71 2HA GLY 71 0.830 -4.546 -6.216 512 HA3 GLY 71 1HA GLY 71 0.677 -6.175 -5.559 513 H ARG 72 H ARG 72 -0.203 -7.408 -7.158 514 HA ARG 72 HA ARG 72 -1.740 -6.629 -9.350 515 HB2 ARG 72 2HB ARG 72 -1.218 -9.060 -7.778 516 HB3 ARG 72 1HB ARG 72 -2.754 -9.107 -8.643 517 HG2 ARG 72 2HG ARG 72 -1.586 -9.660 -10.490 518 HG3 ARG 72 1HG ARG 72 -0.947 -8.015 -10.481 519 HD2 ARG 72 2HD ARG 72 1.105 -8.704 -9.769 520 HD3 ARG 72 1HD ARG 72 0.409 -9.829 -8.586 521 HE ARG 72 HE ARG 72 0.409 -11.523 -10.252 522 HH11 ARG 72 1HH1 ARG 72 2.307 -9.020 -11.278 523 HH12 ARG 72 2HH1 ARG 72 2.132 -9.316 -12.975 524 HH21 ARG 72 1HH2 ARG 72 -0.404 -11.647 -12.575 525 HH22 ARG 72 2HH2 ARG 72 0.597 -10.804 -13.710 526 H TYR 73 H TYR 73 -2.790 -7.223 -6.030 527 HA TYR 73 HA TYR 73 -5.638 -6.795 -6.746 528 HB2 TYR 73 2HB TYR 73 -4.086 -7.545 -4.258 529 HB3 TYR 73 1HB TYR 73 -5.817 -7.214 -4.209 530 HD1 TYR 73 2HD TYR 73 -3.447 -9.110 -6.431 531 HD2 TYR 73 1HD TYR 73 -7.181 -9.088 -4.308 532 HE1 TYR 73 2HE TYR 73 -3.911 -11.413 -7.224 533 HE2 TYR 73 1HE TYR 73 -7.645 -11.393 -5.100 534 HH TYR 73 HH TYR 73 -5.631 -13.445 -6.056 535 H PHE 74 H PHE 74 -6.732 -5.333 -4.860 536 HA PHE 74 HA PHE 74 -5.121 -2.808 -4.649 537 HB2 PHE 74 2HB PHE 74 -8.115 -3.020 -5.057 538 HB3 PHE 74 1HB PHE 74 -7.102 -1.590 -5.248 539 HD1 PHE 74 1HD PHE 74 -7.633 -5.032 -6.603 540 HD2 PHE 74 2HD PHE 74 -6.162 -1.065 -7.337 541 HE1 PHE 74 1HE PHE 74 -7.281 -5.607 -8.989 542 HE2 PHE 74 2HE PHE 74 -5.808 -1.640 -9.725 543 HZ PHE 74 HZ PHE 74 -6.366 -3.910 -10.551 544 H CYS 75 H CYS 75 -5.233 -1.793 -2.630 545 HA CYS 75 HA CYS 75 -6.342 -3.343 -0.408 546 HB2 CYS 75 2HB CYS 75 -4.247 -2.217 -0.105 547 HB3 CYS 75 1HB CYS 75 -4.897 -0.701 -0.731 548 H CYS 76 H CYS 76 -8.641 -3.284 -0.586 549 HA CYS 76 HA CYS 76 -10.049 -0.773 -1.086 550 HB2 CYS 76 2HB CYS 76 -11.132 -3.381 -0.003 551 HB3 CYS 76 1HB CYS 76 -11.994 -2.169 -0.945 552 H ARG 77 H ARG 77 -11.636 0.088 0.502 553 HA ARG 77 HA ARG 77 -11.115 -0.509 3.359 554 HB2 ARG 77 2HB ARG 77 -10.104 1.789 1.795 555 HB3 ARG 77 1HB ARG 77 -10.842 2.212 3.340 556 HG2 ARG 77 2HG ARG 77 -8.852 -0.025 3.185 557 HG3 ARG 77 1HG ARG 77 -8.298 1.642 3.273 558 HD2 ARG 77 2HD ARG 77 -10.104 0.234 5.271 559 HD3 ARG 77 1HD ARG 77 -8.445 0.801 5.538 560 HE ARG 77 HE ARG 77 -9.470 3.109 4.837 561 HH11 ARG 77 1HH2 ARG 77 -10.526 0.771 7.086 562 HH12 ARG 77 2HH2 ARG 77 -11.809 1.744 7.723 563 HH21 ARG 77 1HH1 ARG 77 -11.352 4.312 5.439 564 HH22 ARG 77 2HH1 ARG 77 -12.276 3.749 6.792 565 H SER 78 H SER 78 -12.422 1.479 4.579 566 HA SER 78 HA SER 78 -15.109 1.591 3.246 567 HB2 SER 78 2HB SER 78 -15.929 1.550 5.647 568 HB3 SER 78 1HB SER 78 -15.103 0.082 5.134 569 HG SER 78 HG SER 78 -14.207 2.168 6.801 570 H ARG 79 H ARG 79 -14.350 3.715 2.348 571 HA ARG 79 HA ARG 79 -13.490 5.923 3.905 572 HB2 ARG 79 2HB ARG 79 -13.863 5.435 1.306 573 HB3 ARG 79 1HB ARG 79 -15.377 6.290 1.610 574 HG2 ARG 79 2HG ARG 79 -13.392 7.792 2.927 575 HG3 ARG 79 1HG ARG 79 -12.701 7.367 1.360 576 HD2 ARG 79 2HD ARG 79 -15.540 8.268 1.329 577 HD3 ARG 79 1HD ARG 79 -14.318 9.508 1.676 578 HE ARG 79 HE ARG 79 -13.138 8.707 -0.421 579 HH11 ARG 79 1HH2 ARG 79 -16.411 9.332 -0.234 580 HH12 ARG 79 2HH2 ARG 79 -16.827 8.597 -1.747 581 HH21 ARG 79 1HH1 ARG 79 -13.690 7.203 -2.235 582 HH22 ARG 79 2HH1 ARG 79 -15.287 7.392 -2.879 Start of MODEL 25 1 H1 ASN 1 1HT ASN 1 11.701 4.322 -13.460 2 H2 ASN 1 2HT ASN 1 12.707 5.568 -12.894 3 H3 ASN 1 3HT ASN 1 11.036 5.621 -12.597 4 HA ASN 1 HA ASN 1 11.304 3.502 -11.285 5 HB2 ASN 1 2HB ASN 1 13.436 2.947 -12.422 6 HB3 ASN 1 1HB ASN 1 14.196 4.349 -11.668 7 HD21 ASN 1 1HD2 ASN 1 15.201 3.950 -9.689 8 HD22 ASN 1 2HD2 ASN 1 14.883 2.615 -8.690 9 HA PRO 2 HA PRO 2 11.233 7.299 -8.726 10 HB2 PRO 2 2HB PRO 2 8.927 6.645 -7.410 11 HB3 PRO 2 1HB PRO 2 8.940 7.454 -8.990 12 HG2 PRO 2 2HG PRO 2 8.463 4.595 -8.333 13 HG3 PRO 2 1HG PRO 2 7.700 5.614 -9.562 14 HD2 PRO 2 2HD PRO 2 9.662 3.781 -10.098 15 HD3 PRO 2 1HD PRO 2 9.347 5.219 -11.094 16 H LEU 3 H LEU 3 11.691 7.471 -6.445 17 HA LEU 3 HA LEU 3 13.151 5.380 -5.245 18 HB2 LEU 3 2HB LEU 3 13.397 6.907 -3.518 19 HB3 LEU 3 1HB LEU 3 12.823 7.983 -4.788 20 HG LEU 3 HG LEU 3 11.232 6.790 -2.506 21 HD11 LEU 3 1HD1 LEU 3 11.732 8.795 -1.610 22 HD12 LEU 3 2HD1 LEU 3 10.715 9.521 -2.854 23 HD13 LEU 3 3HD1 LEU 3 12.450 9.354 -3.120 24 HD21 LEU 3 3HD2 LEU 3 9.436 8.338 -3.802 25 HD22 LEU 3 1HD2 LEU 3 9.578 6.607 -4.092 26 HD23 LEU 3 2HD2 LEU 3 10.356 7.751 -5.182 27 H ILE 4 H ILE 4 12.128 5.061 -2.647 28 HA ILE 4 HA ILE 4 10.004 3.077 -3.157 29 HB ILE 4 HB ILE 4 11.929 3.806 -0.981 30 HG12 ILE 4 2HG1 ILE 4 12.547 2.092 -2.589 31 HG13 ILE 4 1HG1 ILE 4 12.248 1.314 -1.035 32 HG21 ILE 4 1HG2 ILE 4 10.732 2.219 0.568 33 HG22 ILE 4 2HG2 ILE 4 9.364 2.240 -0.545 34 HG23 ILE 4 3HG2 ILE 4 9.853 3.720 0.278 35 HD11 ILE 4 3HD1 ILE 4 10.532 1.313 -3.508 36 HD12 ILE 4 1HD1 ILE 4 9.808 1.036 -1.924 37 HD13 ILE 4 2HD1 ILE 4 11.057 -0.053 -2.525 38 HA PRO 5 HA PRO 5 6.847 5.813 -1.749 39 HB2 PRO 5 2HB PRO 5 4.865 3.963 -1.443 40 HB3 PRO 5 1HB PRO 5 5.400 4.551 -3.025 41 HG2 PRO 5 2HG PRO 5 5.963 1.981 -1.675 42 HG3 PRO 5 1HG PRO 5 5.825 2.345 -3.401 43 HD2 PRO 5 2HD PRO 5 8.206 1.992 -1.994 44 HD3 PRO 5 1HD PRO 5 8.046 2.746 -3.594 45 H ALA 6 H ALA 6 5.513 6.121 0.196 46 HA ALA 6 HA ALA 6 6.839 5.174 2.615 47 HB1 ALA 6 1HB ALA 6 4.847 6.671 3.531 48 HB2 ALA 6 2HB ALA 6 4.731 7.153 1.839 49 HB3 ALA 6 3HB ALA 6 6.230 7.415 2.730 50 H ILE 7 H ILE 7 4.031 4.330 0.764 51 HA ILE 7 HA ILE 7 2.331 3.223 2.737 52 HB ILE 7 HB ILE 7 1.471 3.422 0.555 53 HG12 ILE 7 2HG1 ILE 7 0.823 1.198 -0.119 54 HG13 ILE 7 1HG1 ILE 7 2.235 0.492 0.666 55 HG21 ILE 7 1HG2 ILE 7 3.042 1.733 -1.092 56 HG22 ILE 7 2HG2 ILE 7 4.172 2.749 -0.198 57 HG23 ILE 7 3HG2 ILE 7 2.907 3.489 -1.177 58 HD11 ILE 7 3HD1 ILE 7 1.302 1.542 2.839 59 HD12 ILE 7 1HD1 ILE 7 0.488 0.114 2.203 60 HD13 ILE 7 2HD1 ILE 7 -0.205 1.715 1.944 61 H TYR 8 H TYR 8 5.122 1.781 1.081 62 HA TYR 8 HA TYR 8 4.822 -0.874 2.089 63 HB2 TYR 8 2HB TYR 8 7.193 0.788 1.197 64 HB3 TYR 8 1HB TYR 8 7.292 -0.944 1.513 65 HD1 TYR 8 2HD TYR 8 4.031 -0.469 0.444 66 HD2 TYR 8 1HD TYR 8 8.041 -0.445 -1.102 67 HE1 TYR 8 2HE TYR 8 3.159 -0.935 -1.819 68 HE2 TYR 8 1HE TYR 8 7.157 -0.912 -3.371 69 HH TYR 8 HH TYR 8 5.132 -1.930 -4.383 70 H ILE 9 H ILE 9 5.985 2.054 3.596 71 HA ILE 9 HA ILE 9 7.480 0.767 5.726 72 HB ILE 9 HB ILE 9 6.195 3.496 5.381 73 HG12 ILE 9 2HG1 ILE 9 9.000 2.411 5.012 74 HG13 ILE 9 1HG1 ILE 9 7.963 3.143 3.788 75 HG21 ILE 9 1HG2 ILE 9 6.668 2.622 7.800 76 HG22 ILE 9 2HG2 ILE 9 7.249 4.225 7.346 77 HG23 ILE 9 3HG2 ILE 9 8.362 2.857 7.370 78 HD11 ILE 9 3HD1 ILE 9 8.014 5.156 5.589 79 HD12 ILE 9 1HD1 ILE 9 9.194 5.009 4.287 80 HD13 ILE 9 2HD1 ILE 9 9.593 4.438 5.907 81 H GLY 10 H GLY 10 6.603 -0.280 7.463 82 HA2 GLY 10 2HA GLY 10 5.027 -0.973 9.060 83 HA3 GLY 10 1HA GLY 10 4.248 0.599 8.845 84 H ALA 11 H ALA 11 4.844 -1.607 6.189 85 HA ALA 11 HA ALA 11 1.869 -2.001 5.953 86 HB1 ALA 11 1HB ALA 11 2.218 -0.905 4.004 87 HB2 ALA 11 2HB ALA 11 3.054 -2.354 3.446 88 HB3 ALA 11 3HB ALA 11 3.968 -1.033 4.173 89 H THR 12 H THR 12 1.918 -3.903 3.901 90 HA THR 12 HA THR 12 3.655 -6.150 4.763 91 HB THR 12 HB THR 12 0.693 -5.889 5.263 92 HG1 THR 12 1HG THR 12 1.314 -6.215 7.254 93 HG21 THR 12 3HG2 THR 12 0.820 -7.925 3.978 94 HG22 THR 12 1HG2 THR 12 0.690 -8.382 5.677 95 HG23 THR 12 2HG2 THR 12 2.252 -8.455 4.862 96 H VAL 13 H VAL 13 4.390 -6.373 2.595 97 HA VAL 13 HA VAL 13 2.358 -6.562 0.431 98 HB VAL 13 HB VAL 13 4.255 -6.290 -1.010 99 HG11 VAL 13 1HG1 VAL 13 5.404 -4.334 -0.045 100 HG12 VAL 13 2HG1 VAL 13 4.808 -4.770 1.557 101 HG13 VAL 13 3HG1 VAL 13 3.675 -4.275 0.299 102 HG21 VAL 13 3HG2 VAL 13 6.602 -6.356 0.146 103 HG22 VAL 13 1HG2 VAL 13 5.825 -7.881 -0.282 104 HG23 VAL 13 2HG2 VAL 13 5.777 -7.304 1.384 105 H GLY 14 H GLY 14 3.051 -8.383 -1.265 106 HA2 GLY 14 2HA GLY 14 2.924 -10.930 0.220 107 HA3 GLY 14 1HA GLY 14 2.655 -10.728 -1.512 108 HA PRO 15 HA PRO 15 6.861 -12.500 -0.967 109 HB2 PRO 15 2HB PRO 15 6.576 -14.405 -2.912 110 HB3 PRO 15 1HB PRO 15 6.075 -14.659 -1.229 111 HG2 PRO 15 2HG PRO 15 4.429 -13.996 -3.614 112 HG3 PRO 15 1HG PRO 15 4.060 -15.055 -2.245 113 HD2 PRO 15 2HD PRO 15 3.077 -12.515 -2.522 114 HD3 PRO 15 1HD PRO 15 3.287 -13.335 -0.959 115 H SER 16 H SER 16 5.091 -12.059 -4.052 116 HA SER 16 HA SER 16 7.408 -11.546 -5.667 117 HB2 SER 16 2HB SER 16 4.487 -11.446 -5.822 118 HB3 SER 16 1HB SER 16 5.252 -10.197 -6.800 119 HG SER 16 HG SER 16 5.136 -12.041 -8.032 120 H VAL 17 H VAL 17 5.086 -9.314 -4.094 121 HA VAL 17 HA VAL 17 6.263 -6.874 -4.946 122 HB VAL 17 HB VAL 17 4.940 -7.467 -2.284 123 HG11 VAL 17 1HG1 VAL 17 5.510 -5.044 -3.918 124 HG12 VAL 17 2HG1 VAL 17 5.416 -5.222 -2.166 125 HG13 VAL 17 3HG1 VAL 17 3.938 -5.108 -3.121 126 HG21 VAL 17 3HG2 VAL 17 3.363 -8.404 -3.687 127 HG22 VAL 17 1HG2 VAL 17 3.881 -7.450 -5.078 128 HG23 VAL 17 2HG2 VAL 17 2.883 -6.713 -3.825 129 H TRP 18 H TRP 18 6.872 -8.795 -1.988 130 HA TRP 18 HA TRP 18 8.737 -7.128 -0.706 131 HB2 TRP 18 2HB TRP 18 7.665 -9.371 -0.030 132 HB3 TRP 18 1HB TRP 18 8.978 -10.135 -0.926 133 HD1 TRP 18 HD TRP 18 9.405 -6.931 1.126 134 HE1 TRP 18 1HE TRP 18 11.060 -7.396 3.048 135 HE3 TRP 18 3HE TRP 18 10.025 -11.969 0.558 136 HZ2 TRP 18 2HZ TRP 18 12.462 -9.612 4.191 137 HZ3 TRP 18 3HZ TRP 18 11.524 -13.230 2.075 138 HH2 TRP 18 HH TRP 18 12.742 -12.059 3.889 139 H ALA 19 H ALA 19 9.515 -9.803 -2.972 140 HA ALA 19 HA ALA 19 12.290 -9.395 -3.161 141 HB1 ALA 19 1HB ALA 19 12.079 -10.666 -5.218 142 HB2 ALA 19 2HB ALA 19 10.392 -10.181 -5.391 143 HB3 ALA 19 3HB ALA 19 10.867 -11.264 -4.084 144 H TYR 20 H TYR 20 9.667 -7.699 -4.828 145 HA TYR 20 HA TYR 20 11.283 -6.279 -6.735 146 HB2 TYR 20 2HB TYR 20 8.775 -6.630 -6.697 147 HB3 TYR 20 1HB TYR 20 8.690 -5.424 -5.414 148 HD1 TYR 20 2HD TYR 20 9.807 -5.965 -8.933 149 HD2 TYR 20 1HD TYR 20 8.739 -3.108 -5.909 150 HE1 TYR 20 2HE TYR 20 9.842 -4.156 -10.629 151 HE2 TYR 20 1HE TYR 20 8.773 -1.299 -7.605 152 HH TYR 20 HH TYR 20 10.243 -1.432 -10.403 153 H LEU 21 H LEU 21 9.789 -5.070 -3.709 154 HA LEU 21 HA LEU 21 11.035 -2.565 -3.578 155 HB2 LEU 21 2HB LEU 21 9.252 -3.860 -2.122 156 HB3 LEU 21 1HB LEU 21 10.654 -4.265 -1.133 157 HG LEU 21 HG LEU 21 9.750 -1.471 -1.891 158 HD11 LEU 21 1HD1 LEU 21 9.632 -1.409 0.726 159 HD12 LEU 21 2HD1 LEU 21 9.546 -3.164 0.588 160 HD13 LEU 21 3HD1 LEU 21 8.313 -2.159 -0.173 161 HD21 LEU 21 3HD2 LEU 21 12.118 -1.383 -1.756 162 HD22 LEU 21 1HD2 LEU 21 12.168 -2.538 -0.425 163 HD23 LEU 21 2HD2 LEU 21 11.576 -0.900 -0.149 164 H VAL 22 H VAL 22 12.308 -5.737 -2.585 165 HA VAL 22 HA VAL 22 14.650 -4.818 -1.229 166 HB VAL 22 HB VAL 22 13.924 -7.325 -2.761 167 HG11 VAL 22 1HG1 VAL 22 16.506 -6.458 -1.648 168 HG12 VAL 22 2HG1 VAL 22 16.152 -7.764 -2.778 169 HG13 VAL 22 3HG1 VAL 22 15.965 -8.024 -1.043 170 HG21 VAL 22 3HG2 VAL 22 13.929 -6.454 0.127 171 HG22 VAL 22 1HG2 VAL 22 13.998 -8.165 -0.296 172 HG23 VAL 22 2HG2 VAL 22 12.620 -7.187 -0.801 173 H ALA 23 H ALA 23 14.186 -5.830 -4.620 174 HA ALA 23 HA ALA 23 16.824 -5.407 -5.547 175 HB1 ALA 23 1HB ALA 23 15.232 -6.533 -6.916 176 HB2 ALA 23 2HB ALA 23 15.540 -5.012 -7.753 177 HB3 ALA 23 3HB ALA 23 14.075 -5.209 -6.792 178 H LEU 24 H LEU 24 14.159 -3.119 -5.065 179 HA LEU 24 HA LEU 24 15.384 -0.880 -6.385 180 HB2 LEU 24 2HB LEU 24 12.937 -1.493 -5.472 181 HB3 LEU 24 1HB LEU 24 13.501 -0.544 -4.097 182 HG LEU 24 HG LEU 24 14.165 1.265 -5.740 183 HD11 LEU 24 1HD1 LEU 24 12.673 -0.605 -7.596 184 HD12 LEU 24 2HD1 LEU 24 14.311 0.021 -7.785 185 HD13 LEU 24 3HD1 LEU 24 12.928 1.101 -7.961 186 HD21 LEU 24 3HD2 LEU 24 11.495 0.438 -4.891 187 HD22 LEU 24 1HD2 LEU 24 11.446 1.413 -6.360 188 HD23 LEU 24 2HD2 LEU 24 12.213 2.049 -4.906 189 H VAL 25 H VAL 25 15.367 -2.019 -3.008 190 HA VAL 25 HA VAL 25 17.566 -0.062 -2.445 191 HB VAL 25 HB VAL 25 15.761 0.867 -1.283 192 HG11 VAL 25 1HG1 VAL 25 14.215 -1.049 -1.912 193 HG12 VAL 25 2HG1 VAL 25 13.928 -0.342 -0.324 194 HG13 VAL 25 3HG1 VAL 25 14.784 -1.876 -0.462 195 HG21 VAL 25 3HG2 VAL 25 17.686 -0.398 0.233 196 HG22 VAL 25 1HG2 VAL 25 16.183 -0.957 0.965 197 HG23 VAL 25 2HG2 VAL 25 16.513 0.770 0.836 198 H GLY 26 H GLY 26 16.001 -3.040 -1.181 199 HA2 GLY 26 2HA GLY 26 17.717 -5.001 -1.217 200 HA3 GLY 26 1HA GLY 26 18.685 -3.913 -0.220 201 H ALA 27 H ALA 27 17.885 -6.405 0.768 202 HA ALA 27 HA ALA 27 15.452 -6.377 2.265 203 HB1 ALA 27 1HB ALA 27 18.051 -7.791 2.914 204 HB2 ALA 27 2HB ALA 27 16.951 -8.322 1.640 205 HB3 ALA 27 3HB ALA 27 16.419 -8.320 3.322 206 H ALA 28 H ALA 28 18.262 -4.508 2.693 207 HA ALA 28 HA ALA 28 18.279 -4.425 5.591 208 HB1 ALA 28 1HB ALA 28 20.277 -3.943 4.303 209 HB2 ALA 28 2HB ALA 28 19.795 -2.454 5.115 210 HB3 ALA 28 3HB ALA 28 19.440 -2.680 3.402 211 H ALA 29 H ALA 29 17.575 -1.800 3.259 212 HA ALA 29 HA ALA 29 16.098 -0.232 5.167 213 HB1 ALA 29 1HB ALA 29 15.389 0.052 2.320 214 HB2 ALA 29 2HB ALA 29 17.129 0.059 2.617 215 HB3 ALA 29 3HB ALA 29 16.091 1.238 3.419 216 H VAL 30 H VAL 30 15.314 -3.001 3.250 217 HA VAL 30 HA VAL 30 12.437 -2.597 3.150 218 HB VAL 30 HB VAL 30 14.372 -4.872 2.700 219 HG11 VAL 30 1HG1 VAL 30 11.351 -4.987 2.425 220 HG12 VAL 30 2HG1 VAL 30 12.287 -5.816 3.669 221 HG13 VAL 30 3HG1 VAL 30 12.483 -6.263 1.974 222 HG21 VAL 30 3HG2 VAL 30 14.180 -4.296 0.507 223 HG22 VAL 30 1HG2 VAL 30 13.550 -2.769 1.126 224 HG23 VAL 30 2HG2 VAL 30 12.439 -4.048 0.634 225 H THR 31 H THR 31 14.713 -4.168 5.372 226 HA THR 31 HA THR 31 12.535 -5.339 6.990 227 HB THR 31 HB THR 31 15.557 -5.196 7.212 228 HG1 THR 31 1HG THR 31 15.258 -7.466 6.772 229 HG21 THR 31 3HG2 THR 31 15.009 -5.470 9.445 230 HG22 THR 31 1HG2 THR 31 14.978 -7.151 8.908 231 HG23 THR 31 2HG2 THR 31 13.470 -6.252 9.078 232 H ALA 32 H ALA 32 14.612 -2.510 6.991 233 HA ALA 32 HA ALA 32 14.015 -1.785 9.773 234 HB1 ALA 32 1HB ALA 32 15.063 0.410 8.382 235 HB2 ALA 32 2HB ALA 32 15.761 -0.994 7.576 236 HB3 ALA 32 3HB ALA 32 15.988 -0.770 9.311 237 H ALA 33 H ALA 33 12.603 -1.292 6.642 238 HA ALA 33 HA ALA 33 11.103 1.123 7.404 239 HB1 ALA 33 1HB ALA 33 11.548 -0.612 5.034 240 HB2 ALA 33 2HB ALA 33 11.492 1.147 5.141 241 HB3 ALA 33 3HB ALA 33 9.994 0.218 5.095 242 H ASN 34 H ASN 34 10.820 -1.914 8.479 243 HA ASN 34 HA ASN 34 9.046 -3.159 9.405 244 HB2 ASN 34 2HB ASN 34 8.629 -0.916 10.376 245 HB3 ASN 34 1HB ASN 34 7.640 -0.505 8.979 246 HD21 ASN 34 1HD2 ASN 34 7.200 -3.804 9.670 247 HD22 ASN 34 2HD2 ASN 34 5.789 -3.669 10.602 248 H ILE 35 H ILE 35 9.190 -4.266 7.175 249 HA ILE 35 HA ILE 35 6.580 -3.939 5.724 250 HB ILE 35 HB ILE 35 9.395 -4.507 4.759 251 HG12 ILE 35 2HG1 ILE 35 7.455 -2.493 3.647 252 HG13 ILE 35 1HG1 ILE 35 8.348 -2.126 5.123 253 HG21 ILE 35 1HG2 ILE 35 8.215 -4.633 2.470 254 HG22 ILE 35 2HG2 ILE 35 6.735 -4.922 3.387 255 HG23 ILE 35 3HG2 ILE 35 8.087 -6.048 3.514 256 HD11 ILE 35 3HD1 ILE 35 10.006 -3.262 2.971 257 HD12 ILE 35 1HD1 ILE 35 10.312 -1.872 4.013 258 HD13 ILE 35 2HD1 ILE 35 9.297 -1.694 2.582 259 H ARG 36 H ARG 36 5.357 -5.732 6.246 260 HA ARG 36 HA ARG 36 6.738 -8.301 6.842 261 HB2 ARG 36 2HB ARG 36 3.827 -7.489 7.106 262 HB3 ARG 36 1HB ARG 36 4.602 -8.888 7.849 263 HG2 ARG 36 2HG ARG 36 6.203 -7.153 8.933 264 HG3 ARG 36 1HG ARG 36 4.967 -5.970 8.505 265 HD2 ARG 36 2HD ARG 36 3.398 -6.876 9.977 266 HD3 ARG 36 1HD ARG 36 4.146 -8.486 9.938 267 HE ARG 36 HE ARG 36 5.087 -6.187 11.544 268 HH11 ARG 36 1HH2 ARG 36 7.492 -7.387 10.309 269 HH12 ARG 36 2HH2 ARG 36 7.904 -8.651 11.420 270 HH21 ARG 36 1HH1 ARG 36 4.801 -8.664 12.969 271 HH22 ARG 36 2HH1 ARG 36 6.381 -9.374 12.925 272 H ARG 37 H ARG 37 6.124 -10.245 5.743 273 HA ARG 37 HA ARG 37 5.179 -9.815 2.965 274 HB2 ARG 37 2HB ARG 37 6.870 -11.677 4.485 275 HB3 ARG 37 1HB ARG 37 5.830 -12.484 3.309 276 HG2 ARG 37 2HG ARG 37 6.705 -10.389 1.819 277 HG3 ARG 37 1HG ARG 37 8.103 -10.637 2.867 278 HD2 ARG 37 2HD ARG 37 6.765 -12.899 1.349 279 HD3 ARG 37 1HD ARG 37 8.164 -12.001 0.728 280 HE ARG 37 HE ARG 37 9.248 -12.643 3.002 281 HH11 ARG 37 1HH1 ARG 37 6.744 -14.259 3.738 282 HH12 ARG 37 2HH1 ARG 37 7.278 -15.866 3.376 283 HH21 ARG 37 1HH2 ARG 37 10.001 -14.823 1.499 284 HH22 ARG 37 2HH2 ARG 37 9.122 -16.185 2.107 285 H ALA 38 H ALA 38 3.511 -11.275 2.078 286 HA ALA 38 HA ALA 38 1.680 -12.441 4.145 287 HB1 ALA 38 1HB ALA 38 -0.162 -11.470 2.639 288 HB2 ALA 38 2HB ALA 38 1.114 -10.525 1.872 289 HB3 ALA 38 3HB ALA 38 0.764 -10.306 3.588 290 H SER 39 H SER 39 0.134 -14.026 3.148 291 HA SER 39 HA SER 39 1.295 -16.082 1.696 292 HB2 SER 39 2HB SER 39 -1.309 -15.231 2.533 293 HB3 SER 39 1HB SER 39 -1.437 -15.844 0.887 294 HG SER 39 HG SER 39 -0.678 -17.777 1.540 295 H SER 40 H SER 40 0.094 -13.032 0.454 296 HA SER 40 HA SER 40 1.423 -13.325 -2.074 297 HB2 SER 40 2HB SER 40 -1.201 -14.550 -1.730 298 HB3 SER 40 1HB SER 40 -1.206 -13.369 -3.037 299 HG SER 40 HG SER 40 0.272 -14.522 -4.103 300 H ASP 41 H ASP 41 -0.293 -11.797 -3.695 301 HA ASP 41 HA ASP 41 0.142 -9.137 -2.705 302 HB2 ASP 41 2HB ASP 41 -1.473 -10.373 -4.945 303 HB3 ASP 41 1HB ASP 41 -1.372 -8.626 -4.722 304 H ASN 42 H ASN 42 -2.296 -11.411 -1.978 305 HA ASN 42 HA ASN 42 -4.328 -9.330 -1.341 306 HB2 ASN 42 2HB ASN 42 -4.677 -11.610 -2.561 307 HB3 ASN 42 1HB ASN 42 -4.572 -12.310 -0.945 308 HD21 ASN 42 1HD2 ASN 42 -5.996 -10.786 0.711 309 HD22 ASN 42 2HD2 ASN 42 -7.575 -10.499 0.157 310 H HIS 43 H HIS 43 -3.608 -8.363 0.601 311 HA HIS 43 HA HIS 43 -3.565 -10.155 2.984 312 HB2 HIS 43 2HB HIS 43 -1.563 -8.601 3.701 313 HB3 HIS 43 1HB HIS 43 -1.264 -9.961 2.625 314 HD1 HIS 43 1HD HIS 43 -1.133 -6.259 2.786 315 HD2 HIS 43 2HD HIS 43 -0.948 -9.198 -0.163 316 HE1 HIS 43 1HE HIS 43 -0.167 -5.137 0.719 317 H SER 44 H SER 44 -3.476 -8.673 5.032 318 HA SER 44 HA SER 44 -5.656 -6.725 4.807 319 HB2 SER 44 2HB SER 44 -5.063 -6.563 7.327 320 HB3 SER 44 1HB SER 44 -5.639 -8.117 6.733 321 HG SER 44 HG SER 44 -3.722 -8.268 8.018 322 H CYS 45 H CYS 45 -5.309 -4.564 4.426 323 HA CYS 45 HA CYS 45 -2.564 -3.485 4.987 324 HB2 CYS 45 2HB CYS 45 -3.203 -1.880 3.095 325 HB3 CYS 45 1HB CYS 45 -2.932 -3.555 2.636 326 H ALA 46 H ALA 46 -2.741 -0.951 5.100 327 HA ALA 46 HA ALA 46 -3.412 0.839 6.507 328 HB1 ALA 46 1HB ALA 46 -6.256 0.121 6.137 329 HB2 ALA 46 2HB ALA 46 -5.323 0.191 4.641 330 HB3 ALA 46 3HB ALA 46 -5.409 1.603 5.694 331 H GLY 47 H GLY 47 -2.827 -1.541 7.938 332 HA2 GLY 47 2HA GLY 47 -3.132 -2.430 10.090 333 HA3 GLY 47 1HA GLY 47 -4.212 -1.070 10.413 334 H ASN 48 H ASN 48 -5.746 -2.478 11.477 335 HA ASN 48 HA ASN 48 -6.947 -4.667 9.941 336 HB2 ASN 48 2HB ASN 48 -8.221 -4.985 12.022 337 HB3 ASN 48 1HB ASN 48 -6.508 -4.778 12.384 338 HD21 ASN 48 1HD2 ASN 48 -6.329 -3.513 14.236 339 HD22 ASN 48 2HD2 ASN 48 -7.246 -2.122 14.560 340 H ARG 49 H ARG 49 -7.217 -1.968 8.812 341 HA ARG 49 HA ARG 49 -10.161 -1.538 9.124 342 HB2 ARG 49 2HB ARG 49 -7.782 0.250 8.669 343 HB3 ARG 49 1HB ARG 49 -9.400 0.791 8.229 344 HG2 ARG 49 2HG ARG 49 -9.613 -0.354 10.810 345 HG3 ARG 49 1HG ARG 49 -8.191 0.690 10.838 346 HD2 ARG 49 2HD ARG 49 -9.495 2.542 10.855 347 HD3 ARG 49 1HD ARG 49 -10.368 1.984 9.412 348 HE ARG 49 HE ARG 49 -11.859 0.700 10.884 349 HH11 ARG 49 1HH2 ARG 49 -12.311 3.376 11.964 350 HH12 ARG 49 2HH2 ARG 49 -11.980 3.193 13.655 351 HH21 ARG 49 1HH1 ARG 49 -10.262 0.206 13.266 352 HH22 ARG 49 2HH1 ARG 49 -10.821 1.398 14.391 353 H GLY 50 H GLY 50 -7.477 -1.883 6.830 354 HA2 GLY 50 2HA GLY 50 -9.514 -1.918 4.632 355 HA3 GLY 50 1HA GLY 50 -7.865 -1.341 4.400 356 H TRP 51 H TRP 51 -8.919 -3.376 2.797 357 HA TRP 51 HA TRP 51 -7.172 -5.670 3.593 358 HB2 TRP 51 2HB TRP 51 -10.101 -5.527 3.304 359 HB3 TRP 51 1HB TRP 51 -9.365 -6.849 2.400 360 HD1 TRP 51 HD TRP 51 -10.612 -6.043 5.730 361 HE1 TRP 51 1HE TRP 51 -9.767 -7.738 7.480 362 HE3 TRP 51 3HE TRP 51 -6.935 -8.335 3.032 363 HZ2 TRP 51 2HZ TRP 51 -7.792 -9.794 7.704 364 HZ3 TRP 51 3HZ TRP 51 -5.587 -10.155 4.036 365 HH2 TRP 51 HH TRP 51 -6.010 -10.888 6.366 366 H CYS 52 H CYS 52 -6.750 -7.107 1.633 367 HA CYS 52 HA CYS 52 -6.597 -5.408 -0.821 368 HB2 CYS 52 2HB CYS 52 -4.613 -6.529 0.440 369 HB3 CYS 52 1HB CYS 52 -5.181 -8.017 -0.317 370 H ARG 53 H ARG 53 -8.392 -5.809 -2.099 371 HA ARG 53 HA ARG 53 -9.032 -8.685 -2.688 372 HB2 ARG 53 2HB ARG 53 -11.066 -6.461 -2.770 373 HB3 ARG 53 1HB ARG 53 -11.333 -8.185 -2.550 374 HG2 ARG 53 2HG ARG 53 -11.332 -7.905 -0.323 375 HG3 ARG 53 1HG ARG 53 -9.691 -7.265 -0.393 376 HD2 ARG 53 2HD ARG 53 -10.685 -5.026 -1.040 377 HD3 ARG 53 1HD ARG 53 -12.279 -5.709 -0.672 378 HE ARG 53 HE ARG 53 -10.120 -5.213 1.300 379 HH11 ARG 53 1HH1 ARG 53 -11.677 -7.856 1.639 380 HH12 ARG 53 2HH1 ARG 53 -12.894 -7.362 2.768 381 HH21 ARG 53 1HH2 ARG 53 -12.357 -3.972 2.271 382 HH22 ARG 53 2HH2 ARG 53 -13.278 -5.164 3.126 383 H SER 54 H SER 54 -9.596 -9.087 -4.914 384 HA SER 54 HA SER 54 -8.326 -7.531 -6.912 385 HB2 SER 54 2HB SER 54 -9.542 -8.973 -8.426 386 HB3 SER 54 1HB SER 54 -9.179 -9.925 -6.989 387 HG SER 54 HG SER 54 -11.241 -10.133 -6.710 388 H LYS 55 H LYS 55 -11.759 -7.651 -5.988 389 HA LYS 55 HA LYS 55 -12.091 -4.880 -7.063 390 HB2 LYS 55 2HB LYS 55 -13.331 -5.930 -8.664 391 HB3 LYS 55 1HB LYS 55 -13.339 -7.446 -7.772 392 HG2 LYS 55 2HG LYS 55 -15.147 -6.582 -6.327 393 HG3 LYS 55 1HG LYS 55 -15.158 -5.075 -7.245 394 HD2 LYS 55 2HD LYS 55 -15.327 -7.355 -9.027 395 HD3 LYS 55 1HD LYS 55 -16.618 -7.407 -7.827 396 HE2 LYS 55 2HE LYS 55 -17.720 -5.776 -8.947 397 HE3 LYS 55 1HE LYS 55 -16.328 -4.694 -8.744 398 HZ1 LYS 55 3HZ LYS 55 -16.368 -6.866 -10.758 399 HZ2 LYS 55 1HZ LYS 55 -15.306 -5.546 -10.663 400 HZ3 LYS 55 2HZ LYS 55 -16.926 -5.301 -11.112 401 H CYS 56 H CYS 56 -14.267 -3.962 -6.048 402 HA CYS 56 HA CYS 56 -14.817 -5.103 -3.358 403 HB2 CYS 56 2HB CYS 56 -13.558 -2.430 -3.987 404 HB3 CYS 56 1HB CYS 56 -14.387 -2.723 -2.457 405 H PHE 57 H PHE 57 -16.602 -3.729 -2.263 406 HA PHE 57 HA PHE 57 -18.792 -3.392 -4.170 407 HB2 PHE 57 2HB PHE 57 -18.340 -3.392 -1.218 408 HB3 PHE 57 1HB PHE 57 -19.793 -2.587 -1.808 409 HD1 PHE 57 1HD PHE 57 -18.289 -5.365 -3.679 410 HD2 PHE 57 2HD PHE 57 -21.288 -4.263 -0.807 411 HE1 PHE 57 1HE PHE 57 -19.395 -7.563 -3.990 412 HE2 PHE 57 2HE PHE 57 -22.394 -6.461 -1.118 413 HZ PHE 57 HZ PHE 57 -21.447 -8.111 -2.710 414 H ARG 58 H ARG 58 -20.241 -1.285 -3.299 415 HA ARG 58 HA ARG 58 -18.686 1.013 -4.236 416 HB2 ARG 58 2HB ARG 58 -21.163 0.168 -4.739 417 HB3 ARG 58 1HB ARG 58 -21.529 1.163 -3.329 418 HG2 ARG 58 2HG ARG 58 -21.144 3.101 -4.446 419 HG3 ARG 58 1HG ARG 58 -19.724 2.451 -5.267 420 HD2 ARG 58 2HD ARG 58 -22.084 1.101 -6.241 421 HD3 ARG 58 1HD ARG 58 -22.289 2.857 -6.393 422 HE ARG 58 HE ARG 58 -19.941 1.351 -7.482 423 HH11 ARG 58 1HH1 ARG 58 -22.402 2.706 -8.934 424 HH12 ARG 58 2HH1 ARG 58 -21.593 4.071 -9.629 425 HH21 ARG 58 1HH2 ARG 58 -18.739 3.696 -7.697 426 HH22 ARG 58 2HH2 ARG 58 -19.519 4.631 -8.928 427 H HIS 59 H HIS 59 -20.553 0.116 -1.325 428 HA HIS 59 HA HIS 59 -20.254 2.461 0.190 429 HB2 HIS 59 2HB HIS 59 -21.185 -0.101 0.546 430 HB3 HIS 59 1HB HIS 59 -19.788 -0.083 1.621 431 HD1 HIS 59 1HD HIS 59 -20.557 0.487 3.916 432 HD2 HIS 59 2HD HIS 59 -22.587 2.712 1.034 433 HE1 HIS 59 1HE HIS 59 -22.093 2.058 5.175 434 H GLU 60 H GLU 60 -17.834 0.189 -0.835 435 HA GLU 60 HA GLU 60 -15.823 1.422 1.006 436 HB2 GLU 60 2HB GLU 60 -15.892 -1.209 -0.509 437 HB3 GLU 60 1HB GLU 60 -14.615 -0.701 0.585 438 HG2 GLU 60 2HG GLU 60 -15.911 -1.002 2.472 439 HG3 GLU 60 1HG GLU 60 -17.415 -0.664 1.615 440 H TYR 61 H TYR 61 -13.569 1.496 -0.093 441 HA TYR 61 HA TYR 61 -13.817 2.043 -3.024 442 HB2 TYR 61 2HB TYR 61 -12.543 4.094 -2.717 443 HB3 TYR 61 1HB TYR 61 -13.935 4.128 -1.645 444 HD1 TYR 61 2HD TYR 61 -13.520 3.128 0.778 445 HD2 TYR 61 1HD TYR 61 -10.427 4.552 -1.842 446 HE1 TYR 61 2HE TYR 61 -12.016 3.434 2.723 447 HE2 TYR 61 1HE TYR 61 -8.926 4.864 0.106 448 HH TYR 61 HH TYR 61 -9.151 5.219 2.562 449 H VAL 62 H VAL 62 -11.246 2.720 -3.566 450 HA VAL 62 HA VAL 62 -9.729 0.259 -2.765 451 HB VAL 62 HB VAL 62 -9.728 2.022 -5.232 452 HG11 VAL 62 1HG1 VAL 62 -7.771 -0.000 -4.236 453 HG12 VAL 62 2HG1 VAL 62 -7.497 1.437 -5.222 454 HG13 VAL 62 3HG1 VAL 62 -8.159 -0.024 -5.956 455 HG21 VAL 62 3HG2 VAL 62 -10.622 0.102 -6.346 456 HG22 VAL 62 1HG2 VAL 62 -11.545 0.261 -4.853 457 HG23 VAL 62 2HG2 VAL 62 -10.265 -0.946 -4.973 458 H ASP 63 H ASP 63 -8.763 1.258 -0.875 459 HA ASP 63 HA ASP 63 -7.588 3.709 -0.486 460 HB2 ASP 63 2HB ASP 63 -7.625 1.518 0.921 461 HB3 ASP 63 1HB ASP 63 -6.086 1.166 0.136 462 H THR 64 H THR 64 -6.807 4.603 -2.483 463 HA THR 64 HA THR 64 -4.991 3.432 -4.299 464 HB THR 64 HB THR 64 -4.348 5.954 -4.576 465 HG1 THR 64 1HG THR 64 -5.336 7.310 -3.290 466 HG21 THR 64 3HG2 THR 64 -7.181 6.030 -4.948 467 HG22 THR 64 1HG2 THR 64 -6.620 4.396 -5.308 468 HG23 THR 64 2HG2 THR 64 -5.926 5.776 -6.162 469 H TYR 65 H TYR 65 -4.368 5.018 -1.194 470 HA TYR 65 HA TYR 65 -1.531 5.281 -1.427 471 HB2 TYR 65 2HB TYR 65 -3.318 6.166 0.279 472 HB3 TYR 65 1HB TYR 65 -2.962 4.673 1.146 473 HD1 TYR 65 1HD TYR 65 -1.100 7.416 -0.624 474 HD2 TYR 65 2HD TYR 65 -1.271 4.751 2.741 475 HE1 TYR 65 1HE TYR 65 0.971 8.432 0.286 476 HE2 TYR 65 2HE TYR 65 0.800 5.768 3.651 477 HH TYR 65 HH TYR 65 2.674 7.039 2.972 478 H TYR 66 H TYR 66 -3.514 2.662 0.012 479 HA TYR 66 HA TYR 66 -1.107 1.028 0.476 480 HB2 TYR 66 2HB TYR 66 -4.043 0.898 1.070 481 HB3 TYR 66 1HB TYR 66 -3.076 -0.574 1.193 482 HD1 TYR 66 1HD TYR 66 -3.627 2.804 2.549 483 HD2 TYR 66 2HD TYR 66 -1.286 -0.785 2.839 484 HE1 TYR 66 1HE TYR 66 -2.734 3.563 4.733 485 HE2 TYR 66 2HE TYR 66 -0.394 -0.028 5.024 486 HH TYR 66 HH TYR 66 -0.884 1.464 6.792 487 H SER 67 H SER 67 -3.145 1.564 -2.171 488 HA SER 67 HA SER 67 -3.603 -0.969 -3.318 489 HB2 SER 67 2HB SER 67 -3.588 1.761 -4.068 490 HB3 SER 67 1HB SER 67 -2.575 0.936 -5.249 491 HG SER 67 HG SER 67 -4.488 -0.666 -5.094 492 H ALA 68 H ALA 68 -0.619 0.711 -2.707 493 HA ALA 68 HA ALA 68 1.071 -0.645 -4.606 494 HB1 ALA 68 1HB ALA 68 2.800 0.473 -3.424 495 HB2 ALA 68 2HB ALA 68 1.882 0.467 -1.918 496 HB3 ALA 68 3HB ALA 68 1.397 1.527 -3.242 497 H VAL 69 H VAL 69 1.078 -1.042 -1.024 498 HA VAL 69 HA VAL 69 2.533 -3.423 -0.909 499 HB VAL 69 HB VAL 69 1.669 -1.961 0.977 500 HG11 VAL 69 1HG1 VAL 69 -0.521 -1.784 1.381 501 HG12 VAL 69 2HG1 VAL 69 -0.670 -3.535 1.514 502 HG13 VAL 69 3HG1 VAL 69 -0.824 -2.754 -0.059 503 HG21 VAL 69 3HG2 VAL 69 1.851 -4.888 0.918 504 HG22 VAL 69 1HG2 VAL 69 0.985 -4.244 2.310 505 HG23 VAL 69 2HG2 VAL 69 2.644 -3.735 1.989 506 H CYS 70 H CYS 70 -0.771 -2.941 -1.939 507 HA CYS 70 HA CYS 70 -1.710 -5.646 -1.722 508 HB2 CYS 70 2HB CYS 70 -2.467 -3.079 -2.893 509 HB3 CYS 70 1HB CYS 70 -2.970 -4.435 -3.901 510 H GLY 71 H GLY 71 -0.728 -3.898 -4.701 511 HA2 GLY 71 2HA GLY 71 0.854 -4.777 -6.320 512 HA3 GLY 71 1HA GLY 71 0.601 -6.388 -5.645 513 H ARG 72 H ARG 72 -0.678 -7.703 -6.847 514 HA ARG 72 HA ARG 72 -1.963 -6.883 -9.258 515 HB2 ARG 72 2HB ARG 72 -2.198 -9.267 -7.408 516 HB3 ARG 72 1HB ARG 72 -3.083 -9.178 -8.931 517 HG2 ARG 72 2HG ARG 72 -0.949 -8.854 -10.144 518 HG3 ARG 72 1HG ARG 72 -0.072 -8.984 -8.619 519 HD2 ARG 72 2HD ARG 72 -0.369 -11.263 -8.489 520 HD3 ARG 72 1HD ARG 72 -1.970 -11.199 -9.255 521 HE ARG 72 HE ARG 72 -0.153 -10.367 -11.225 522 HH11 ARG 72 1HH2 ARG 72 0.057 -12.990 -9.061 523 HH12 ARG 72 2HH2 ARG 72 0.350 -14.176 -10.289 524 HH21 ARG 72 1HH1 ARG 72 -0.105 -11.958 -12.915 525 HH22 ARG 72 2HH1 ARG 72 0.258 -13.593 -12.469 526 H TYR 73 H TYR 73 -3.347 -7.620 -6.036 527 HA TYR 73 HA TYR 73 -6.031 -6.755 -6.858 528 HB2 TYR 73 2HB TYR 73 -4.793 -7.482 -4.184 529 HB3 TYR 73 1HB TYR 73 -6.519 -7.278 -4.473 530 HD1 TYR 73 1HD TYR 73 -6.555 -8.503 -7.281 531 HD2 TYR 73 2HD TYR 73 -4.801 -9.801 -3.582 532 HE1 TYR 73 1HE TYR 73 -6.704 -10.859 -8.036 533 HE2 TYR 73 2HE TYR 73 -4.948 -12.156 -4.336 534 HH TYR 73 HH TYR 73 -6.563 -13.420 -6.108 535 H PHE 74 H PHE 74 -7.077 -5.195 -5.048 536 HA PHE 74 HA PHE 74 -5.246 -2.832 -4.760 537 HB2 PHE 74 2HB PHE 74 -8.248 -2.686 -5.025 538 HB3 PHE 74 1HB PHE 74 -7.050 -1.446 -5.391 539 HD1 PHE 74 1HD PHE 74 -8.333 -4.766 -6.483 540 HD2 PHE 74 2HD PHE 74 -6.121 -1.246 -7.556 541 HE1 PHE 74 1HE PHE 74 -8.296 -5.514 -8.847 542 HE2 PHE 74 2HE PHE 74 -6.080 -1.994 -9.921 543 HZ PHE 74 HZ PHE 74 -7.166 -4.129 -10.567 544 H CYS 75 H CYS 75 -5.206 -1.898 -2.713 545 HA CYS 75 HA CYS 75 -6.444 -3.380 -0.514 546 HB2 CYS 75 2HB CYS 75 -4.238 -2.502 -0.214 547 HB3 CYS 75 1HB CYS 75 -4.719 -0.909 -0.799 548 H CYS 76 H CYS 76 -8.721 -3.058 -0.603 549 HA CYS 76 HA CYS 76 -9.853 -0.397 -1.015 550 HB2 CYS 76 2HB CYS 76 -10.976 -3.061 -0.110 551 HB3 CYS 76 1HB CYS 76 -11.966 -1.647 -0.462 552 H ARG 77 H ARG 77 -11.495 0.366 0.715 553 HA ARG 77 HA ARG 77 -10.804 -0.265 3.504 554 HB2 ARG 77 2HB ARG 77 -9.689 1.985 1.950 555 HB3 ARG 77 1HB ARG 77 -10.343 2.439 3.525 556 HG2 ARG 77 2HG ARG 77 -8.958 0.137 4.118 557 HG3 ARG 77 1HG ARG 77 -7.945 0.865 2.872 558 HD2 ARG 77 2HD ARG 77 -7.387 1.629 5.225 559 HD3 ARG 77 1HD ARG 77 -7.821 2.957 4.131 560 HE ARG 77 HE ARG 77 -10.192 1.912 5.368 561 HH11 ARG 77 1HH2 ARG 77 -7.818 4.338 5.418 562 HH12 ARG 77 2HH2 ARG 77 -8.335 5.033 6.918 563 HH21 ARG 77 1HH1 ARG 77 -10.682 2.562 7.557 564 HH22 ARG 77 2HH1 ARG 77 -9.959 4.027 8.130 565 H SER 78 H SER 78 -11.982 1.541 4.930 566 HA SER 78 HA SER 78 -14.736 1.795 3.803 567 HB2 SER 78 2HB SER 78 -14.164 2.408 6.643 568 HB3 SER 78 1HB SER 78 -15.419 1.386 5.949 569 HG SER 78 HG SER 78 -12.766 0.794 6.627 570 H ARG 79 H ARG 79 -15.209 3.789 2.976 571 HA ARG 79 HA ARG 79 -13.662 6.166 3.803 572 HB2 ARG 79 2HB ARG 79 -15.129 5.209 1.531 573 HB3 ARG 79 1HB ARG 79 -15.819 6.754 2.027 574 HG2 ARG 79 2HG ARG 79 -13.031 7.082 2.228 575 HG3 ARG 79 1HG ARG 79 -13.294 6.229 0.708 576 HD2 ARG 79 2HD ARG 79 -15.030 7.954 0.107 577 HD3 ARG 79 1HD ARG 79 -14.560 8.855 1.562 578 HE ARG 79 HE ARG 79 -12.658 9.559 0.365 579 HH11 ARG 79 1HH1 ARG 79 -14.049 8.260 -2.115 580 HH12 ARG 79 2HH1 ARG 79 -12.724 7.341 -2.747 581 HH21 ARG 79 1HH2 ARG 79 -10.814 7.617 0.134 582 HH22 ARG 79 2HH2 ARG 79 -10.892 6.977 -1.474
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