NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10553 | 1pxe | 5901 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 16 HN ARG 16 95.550 -10.794 -4.272 2 HA ARG 16 HA ARG 16 94.626 -11.253 -3.918 3 1HB ARG 16 HB2 ARG 16 95.594 -11.544 -3.697 4 2HB ARG 16 HB1 ARG 16 94.862 -11.209 -3.248 5 1HG ARG 16 HG1 ARG 16 95.540 -12.024 -3.715 6 2HG ARG 16 HG2 ARG 16 95.424 -11.970 -3.586 7 1HD ARG 16 HD2 ARG 16 96.001 -12.401 -4.052 8 2HD ARG 16 HD1 ARG 16 95.752 -12.632 -3.665 9 HE ARG 16 HE ARG 16 95.458 -13.299 -4.103 10 1HH1 ARG 16 HH11 ARG 16 96.206 -13.123 -3.913 11 2HH1 ARG 16 HH12 ARG 16 96.273 -13.903 -4.098 12 1HH2 ARG 16 HH21 ARG 16 95.547 -14.323 -4.346 13 2HH2 ARG 16 HH22 ARG 16 95.899 -14.584 -4.343 14 H GLU 17 HN GLU 17 93.450 -10.892 -2.789 15 HA GLU 17 HA GLU 17 92.343 -10.926 -1.818 16 1HB GLU 17 HB2 GLU 17 93.565 -10.757 -1.376 17 2HB GLU 17 HB1 GLU 17 92.417 -10.356 -0.870 18 1HG GLU 17 HG2 GLU 17 92.827 -10.987 -0.983 19 2HG GLU 17 HG1 GLU 17 93.369 -11.565 -1.145 20 H SER 18 HN SER 18 91.432 -9.207 -0.882 21 HA SER 18 HA SER 18 90.236 -8.623 -0.854 22 1HB SER 18 HB2 SER 18 90.310 -7.988 0.796 23 2HB SER 18 HB1 SER 18 90.065 -7.893 0.356 24 HG SER 18 HG SER 18 89.898 -8.204 0.909 25 H LYS 19 HN LYS 19 90.147 -7.024 -0.723 26 HA LYS 19 HA LYS 19 90.805 -6.113 -1.234 27 1HB LYS 19 HB2 LYS 19 89.411 -6.017 -1.795 28 2HB LYS 19 HB1 LYS 19 90.109 -5.878 -2.086 29 1HG LYS 19 HG2 LYS 19 90.091 -7.846 -1.902 30 2HG LYS 19 HG1 LYS 19 89.538 -7.803 -2.152 31 1HD LYS 19 HD2 LYS 19 90.123 -7.172 -2.608 32 2HD LYS 19 HD1 LYS 19 90.405 -7.672 -2.384 33 1HE LYS 19 HE2 LYS 19 89.725 -8.920 -2.934 34 2HE LYS 19 HE1 LYS 19 89.565 -8.566 -2.757 35 1HZ LYS 19 HZ1 LYS 19 89.690 -8.704 -2.947 36 2HZ LYS 19 HZ2 LYS 19 89.377 -8.871 -3.173 37 3HZ LYS 19 HZ3 LYS 19 89.499 -8.517 -2.953 38 H CYS 20 HN CYS 20 90.119 -3.773 -1.531 39 HA CYS 20 HA CYS 20 89.885 -2.660 1.066 40 1HB CYS 20 HB2 CYS 20 91.233 -1.634 -0.565 41 2HB CYS 20 HB1 CYS 20 89.908 -1.237 -1.453 42 HA PRO 21 HA PRO 21 85.923 -1.559 -0.875 43 1HB PRO 21 HB2 PRO 21 85.123 -3.848 -1.226 44 2HB PRO 21 HB1 PRO 21 85.208 -2.858 -2.050 45 1HG PRO 21 HG2 PRO 21 86.737 -4.062 -2.046 46 2HG PRO 21 HG1 PRO 21 86.996 -3.125 -2.446 47 1HD PRO 21 HD2 PRO 21 88.405 -3.973 -1.078 48 2HD PRO 21 HD1 PRO 21 88.755 -3.002 -1.790 49 H THR 22 HN THR 22 85.829 -1.012 1.049 50 HA THR 22 HA THR 22 84.529 -2.733 2.563 51 HB THR 22 HB THR 22 85.253 -0.917 3.461 52 HG1 THR 22 HG1 THR 22 86.020 -0.939 3.220 53 1HG2 THR 22 HG21 THR 22 85.678 -1.003 4.246 54 2HG2 THR 22 HG22 THR 22 85.525 -1.051 4.086 55 3HG2 THR 22 HG23 THR 22 85.548 -1.115 4.266 56 HA PRO 23 HA PRO 23 80.500 -1.418 2.575 57 1HB PRO 23 HB2 PRO 23 80.640 -0.190 5.020 58 2HB PRO 23 HB1 PRO 23 79.650 -1.346 4.553 59 1HG PRO 23 HG2 PRO 23 81.668 -1.738 5.922 60 2HG PRO 23 HG1 PRO 23 81.012 -2.838 5.145 61 1HD PRO 23 HD2 PRO 23 83.368 -1.909 4.796 62 2HD PRO 23 HD1 PRO 23 82.726 -3.182 4.099 63 H GLY 24 HN GLY 24 82.698 0.698 3.255 64 1HA GLY 24 HA2 GLY 24 81.127 2.799 2.513 65 2HA GLY 24 HA1 GLY 24 82.516 2.949 3.385 66 H CYS 25 HN CYS 25 84.289 1.932 1.924 67 HA CYS 25 HA CYS 25 84.964 3.673 -0.015 68 1HB CYS 25 HB2 CYS 25 86.711 2.263 1.080 69 2HB CYS 25 HB1 CYS 25 86.091 0.900 0.178 70 H ASP 26 HN ASP 26 85.172 3.421 -2.317 71 HA ASP 26 HA ASP 26 83.000 1.817 -3.381 72 1HB ASP 26 HB2 ASP 26 83.124 4.302 -3.741 73 2HB ASP 26 HB1 ASP 26 84.470 3.979 -4.803 74 H GLY 27 HN GLY 27 86.387 2.528 -3.863 75 1HA GLY 27 HA2 GLY 27 88.014 1.054 -4.645 76 2HA GLY 27 HA1 GLY 27 86.747 -0.040 -5.110 77 H THR 28 HN THR 28 87.326 3.265 -5.912 78 HA THR 28 HA THR 28 87.970 2.680 -8.604 79 HB THR 28 HB THR 28 85.317 3.274 -7.809 80 HG1 THR 28 HG1 THR 28 85.587 2.411 -9.715 81 1HG2 THR 28 HG21 THR 28 85.925 5.229 -9.285 82 2HG2 THR 28 HG22 THR 28 85.666 5.376 -8.755 83 3HG2 THR 28 HG23 THR 28 85.322 5.174 -9.215 84 H GLY 29 HN GLY 29 89.443 4.122 -8.758 85 1HA GLY 29 HA2 GLY 29 90.241 6.316 -9.327 86 2HA GLY 29 HA1 GLY 29 89.392 6.824 -7.891 87 H HIS 30 HN HIS 30 91.369 4.100 -7.954 88 HA HIS 30 HA HIS 30 92.911 3.590 -6.177 89 1HB HIS 30 HB2 HIS 30 93.601 3.818 -8.671 90 2HB HIS 30 HB1 HIS 30 94.613 5.088 -8.080 91 HD2 HIS 30 HD2 HIS 30 94.150 1.223 -7.645 92 HE1 HIS 30 HE1 HIS 30 98.143 2.287 -6.814 93 HE2 HIS 30 HE2 HIS 30 96.512 0.380 -7.047 94 H VAL 31 HN VAL 31 95.280 4.777 -5.659 95 HA VAL 31 HA VAL 31 94.680 6.605 -3.642 96 HB VAL 31 HB VAL 31 96.695 5.219 -3.621 97 1HG1 VAL 31 HG11 VAL 31 97.923 6.305 -5.467 98 2HG1 VAL 31 HG12 VAL 31 97.756 6.093 -5.681 99 3HG1 VAL 31 HG13 VAL 31 97.979 5.971 -5.458 100 1HG2 VAL 31 HG21 VAL 31 97.443 7.710 -3.130 101 2HG2 VAL 31 HG22 VAL 31 97.687 7.110 -2.634 102 3HG2 VAL 31 HG23 VAL 31 96.926 7.400 -2.578 103 H THR 32 HN THR 32 95.604 7.267 -6.981 104 HA THR 32 HA THR 32 95.287 10.104 -6.352 105 HB THR 32 HB THR 32 97.239 10.319 -7.367 106 HG1 THR 32 HG1 THR 32 97.163 9.739 -8.677 107 1HG2 THR 32 HG21 THR 32 98.259 8.826 -7.639 108 2HG2 THR 32 HG22 THR 32 98.051 8.459 -7.458 109 3HG2 THR 32 HG23 THR 32 98.033 8.897 -7.263 110 H GLY 33 HN GLY 33 93.707 7.696 -7.709 111 1HA GLY 33 HA2 GLY 33 92.007 7.593 -9.221 112 2HA GLY 33 HA1 GLY 33 92.127 9.333 -9.318 113 H LEU 34 HN LEU 34 95.025 7.739 -9.866 114 HA LEU 34 HA LEU 34 94.799 8.302 -12.712 115 1HB LEU 34 HB2 LEU 34 97.281 7.812 -11.133 116 2HB LEU 34 HB1 LEU 34 97.173 8.380 -12.779 117 HG LEU 34 HG LEU 34 95.959 9.856 -10.521 118 1HD1 LEU 34 HD11 LEU 34 98.264 10.589 -10.635 119 2HD1 LEU 34 HD12 LEU 34 98.455 10.307 -10.886 120 3HD1 LEU 34 HD13 LEU 34 98.300 10.185 -10.510 121 1HD2 LEU 34 HD21 LEU 34 96.047 11.061 -12.581 122 2HD2 LEU 34 HD22 LEU 34 95.964 10.884 -12.718 123 3HD2 LEU 34 HD23 LEU 34 96.201 10.944 -12.721 124 H TYR 35 HN TYR 35 94.284 5.847 -10.753 125 HA TYR 35 HA TYR 35 95.464 3.899 -12.611 126 1HB TYR 35 HB2 TYR 35 94.678 3.379 -9.766 127 2HB TYR 35 HB1 TYR 35 95.506 2.273 -10.829 128 HD1 TYR 35 HD1 TYR 35 96.035 5.806 -9.825 129 HD2 TYR 35 HD2 TYR 35 97.682 1.929 -10.130 130 HE1 TYR 35 HE1 TYR 35 98.171 6.656 -8.978 131 HE2 TYR 35 HE2 TYR 35 99.827 2.761 -9.302 132 HH TYR 35 HH TYR 35 100.598 5.178 -8.255 133 HA PRO 36 HA PRO 36 91.370 2.621 -13.530 134 1HB PRO 36 HB2 PRO 36 91.794 -0.116 -13.715 135 2HB PRO 36 HB1 PRO 36 92.004 0.995 -14.965 136 1HG PRO 36 HG2 PRO 36 93.867 -0.308 -13.557 137 2HG PRO 36 HG1 PRO 36 94.048 0.580 -14.836 138 1HD PRO 36 HD2 PRO 36 94.853 1.098 -12.354 139 2HD PRO 36 HD1 PRO 36 95.071 2.051 -13.745 140 H HIS 37 HN HIS 37 91.756 3.038 -10.772 141 HA HIS 37 HA HIS 37 90.397 2.712 -8.947 142 1HB HIS 37 HB2 HIS 37 89.777 -0.106 -9.741 143 2HB HIS 37 HB1 HIS 37 88.864 0.981 -8.720 144 HD2 HIS 37 HD2 HIS 37 88.546 3.422 -10.861 145 HE1 HIS 37 HE1 HIS 37 86.718 0.482 -13.230 146 HE2 HIS 37 HE2 HIS 37 87.031 2.936 -12.891 147 H HIS 38 HN HIS 38 90.373 0.809 -7.212 148 HA HIS 38 HA HIS 38 93.043 -0.374 -7.144 149 1HB HIS 38 HB2 HIS 38 93.317 0.231 -4.782 150 2HB HIS 38 HB1 HIS 38 93.212 1.646 -5.816 151 HD1 HIS 38 HD1 HIS 38 91.141 3.165 -5.528 152 HD2 HIS 38 HD2 HIS 38 91.289 -0.088 -2.970 153 HE1 HIS 38 HE1 HIS 38 89.342 3.561 -3.768 154 H ARG 39 HN ARG 39 91.436 -1.310 -6.113 155 HA ARG 39 HA ARG 39 89.692 -2.730 -5.160 156 1HB ARG 39 HB2 ARG 39 90.773 -3.864 -6.704 157 2HB ARG 39 HB1 ARG 39 90.442 -4.374 -6.267 158 1HG ARG 39 HG2 ARG 39 89.900 -4.121 -6.709 159 2HG ARG 39 HG1 ARG 39 89.806 -3.792 -6.987 160 1HD ARG 39 HD2 ARG 39 89.998 -4.313 -7.990 161 2HD ARG 39 HD1 ARG 39 89.836 -4.905 -7.654 162 HE ARG 39 HE ARG 39 89.127 -3.971 -8.069 163 1HH1 ARG 39 HH11 ARG 39 89.045 -5.527 -8.574 164 2HH1 ARG 39 HH12 ARG 39 88.253 -5.823 -9.273 165 1HH2 ARG 39 HH21 ARG 39 88.087 -4.360 -8.987 166 2HH2 ARG 39 HH22 ARG 39 87.709 -5.161 -9.507 167 H SER 40 HN SER 40 92.354 -2.137 -3.922 168 HA SER 40 HA SER 40 91.889 -3.773 -2.099 169 1HB SER 40 HB2 SER 40 93.316 -5.072 -2.734 170 2HB SER 40 HB1 SER 40 92.973 -5.071 -3.406 171 HG SER 40 HG SER 40 93.649 -4.585 -3.535 172 H LEU 41 HN LEU 41 92.764 -1.083 -2.212 173 HA LEU 41 HA LEU 41 93.838 0.131 -0.779 174 1HB LEU 41 HB2 LEU 41 95.490 -1.773 0.017 175 2HB LEU 41 HB1 LEU 41 95.050 -0.682 0.742 176 HG LEU 41 HG LEU 41 93.112 -2.210 -0.031 177 1HD1 LEU 41 HD11 LEU 41 94.643 -3.464 1.056 178 2HD1 LEU 41 HD12 LEU 41 94.597 -3.451 1.067 179 3HD1 LEU 41 HD13 LEU 41 94.461 -3.450 1.103 180 1HD2 LEU 41 HD21 LEU 41 93.317 -1.611 1.859 181 2HD2 LEU 41 HD22 LEU 41 93.105 -1.483 1.959 182 3HD2 LEU 41 HD23 LEU 41 93.456 -1.425 1.988 183 H SER 42 HN SER 42 95.855 -1.260 -2.279 184 HA SER 42 HA SER 42 98.057 -0.345 -2.341 185 1HB SER 42 HB2 SER 42 97.504 -1.026 -4.526 186 2HB SER 42 HB1 SER 42 97.957 -1.490 -4.233 187 HG SER 42 HG SER 42 97.307 -2.053 -4.222 188 H GLY 43 HN GLY 43 95.321 0.991 -3.534 189 1HA GLY 43 HA2 GLY 43 96.677 3.402 -4.261 190 2HA GLY 43 HA1 GLY 43 95.303 2.830 -5.119 191 H CYS 44 HN CYS 44 93.296 2.910 -4.228 192 HA CYS 44 HA CYS 44 91.612 4.010 -3.117 193 1HB CYS 44 HB2 CYS 44 92.618 2.352 -1.447 194 2HB CYS 44 HB1 CYS 44 93.178 3.774 -0.645 195 HA PRO 45 HA PRO 45 93.288 8.109 -2.710 196 1HB PRO 45 HB2 PRO 45 91.522 9.357 -4.054 197 2HB PRO 45 HB1 PRO 45 92.591 8.246 -4.872 198 1HG PRO 45 HG2 PRO 45 89.824 7.909 -4.115 199 2HG PRO 45 HG1 PRO 45 90.685 7.326 -5.517 200 1HD PRO 45 HD2 PRO 45 90.112 5.928 -3.228 201 2HD PRO 45 HD1 PRO 45 91.190 5.427 -4.520 202 H HIS 46 HN HIS 46 91.147 6.942 -0.990 203 HA HIS 46 HA HIS 46 89.708 9.319 -0.321 204 1HB HIS 46 HB2 HIS 46 89.334 6.647 0.962 205 2HB HIS 46 HB1 HIS 46 88.198 7.974 0.882 206 HD2 HIS 46 HD2 HIS 46 88.698 4.724 -0.717 207 HE1 HIS 46 HE1 HIS 46 86.771 7.056 -3.623 208 HE2 HIS 46 HE2 HIS 46 87.502 4.741 -2.991 209 H LYS 47 HN LYS 47 90.784 6.933 2.023 210 HA LYS 47 HA LYS 47 91.961 7.252 3.844 211 1HB LYS 47 HB2 LYS 47 93.192 8.385 2.997 212 2HB LYS 47 HB1 LYS 47 93.193 8.741 3.158 213 1HG LYS 47 HG2 LYS 47 93.477 8.967 3.358 214 2HG LYS 47 HG1 LYS 47 93.370 8.664 3.404 215 1HD LYS 47 HD2 LYS 47 94.809 9.443 3.072 216 2HD LYS 47 HD1 LYS 47 95.053 9.236 3.312 217 1HE LYS 47 HE2 LYS 47 95.451 9.400 2.991 218 2HE LYS 47 HE1 LYS 47 95.057 9.256 2.807 219 1HZ LYS 47 HZ1 LYS 47 96.519 9.817 2.647 220 2HZ LYS 47 HZ2 LYS 47 96.101 9.711 2.824 221 3HZ LYS 47 HZ3 LYS 47 96.276 9.907 2.689 222 H ASP 48 HN ASP 48 89.745 7.580 4.599 223 HA ASP 48 HA ASP 48 90.157 9.557 5.992 224 1HB ASP 48 HB2 ASP 48 88.903 9.697 4.279 225 2HB ASP 48 HB1 ASP 48 87.841 9.219 5.470 226 H ARG 49 HN ARG 49 89.733 6.995 6.288 227 HA ARG 49 HA ARG 49 88.993 5.558 7.870 228 1HB ARG 49 HB2 ARG 49 89.564 6.679 9.355 229 2HB ARG 49 HB1 ARG 49 89.666 7.173 9.223 230 1HG ARG 49 HG2 ARG 49 89.049 7.483 9.635 231 2HG ARG 49 HG1 ARG 49 89.221 7.105 9.929 232 1HD ARG 49 HD2 ARG 49 89.697 7.611 10.985 233 2HD ARG 49 HD1 ARG 49 89.816 7.670 10.699 234 HE ARG 49 HE ARG 49 88.995 7.808 10.918 235 1HH1 ARG 49 HH11 ARG 49 90.262 8.484 11.519 236 2HH1 ARG 49 HH12 ARG 49 90.279 9.046 12.130 237 1HH2 ARG 49 HH21 ARG 49 89.017 8.549 11.724 238 2HH2 ARG 49 HH22 ARG 49 89.573 9.083 12.248 239 H VAL 50 HN VAL 50 86.956 5.637 7.628 240 HA VAL 50 HA VAL 50 85.077 5.029 8.711 241 HB VAL 50 HB VAL 50 84.430 7.255 8.306 242 1HG1 VAL 50 HG11 VAL 50 83.237 6.873 9.179 243 2HG1 VAL 50 HG12 VAL 50 83.555 7.189 9.565 244 3HG1 VAL 50 HG13 VAL 50 83.372 6.682 9.813 245 1HG2 VAL 50 HG21 VAL 50 85.498 7.345 9.333 246 2HG2 VAL 50 HG22 VAL 50 85.362 7.147 9.296 247 3HG2 VAL 50 HG23 VAL 50 85.458 7.185 9.437 248 HA PRO 51 HA PRO 51 82.749 5.110 5.678 249 1HB PRO 51 HB2 PRO 51 82.733 6.971 4.658 250 2HB PRO 51 HB1 PRO 51 81.985 6.552 5.560 251 1HG PRO 51 HG2 PRO 51 83.560 7.624 6.284 252 2HG PRO 51 HG1 PRO 51 82.930 7.366 7.040 253 1HD PRO 51 HD2 PRO 51 84.635 7.020 7.427 254 2HD PRO 51 HD1 PRO 51 83.984 6.679 8.115 255 HA PRO 52 HA PRO 52 83.524 4.604 1.993 256 1HB PRO 52 HB2 PRO 52 83.190 6.863 0.806 257 2HB PRO 52 HB1 PRO 52 82.155 5.601 0.976 258 1HG PRO 52 HG2 PRO 52 82.161 7.692 2.062 259 2HG PRO 52 HG1 PRO 52 81.134 6.640 2.211 260 1HD PRO 52 HD2 PRO 52 82.517 7.383 3.845 261 2HD PRO 52 HD1 PRO 52 81.442 6.216 3.982 262 H GLU 53 HN GLU 53 85.803 4.469 2.779 263 HA GLU 53 HA GLU 53 87.450 6.077 1.149 264 1HB GLU 53 HB2 GLU 53 87.797 6.242 3.915 265 2HB GLU 53 HB1 GLU 53 88.686 6.777 3.076 266 1HG GLU 53 HG2 GLU 53 87.412 7.966 3.384 267 2HG GLU 53 HG1 GLU 53 87.275 7.882 3.119 268 H ILE 54 HN ILE 54 88.947 4.710 3.828 269 HA ILE 54 HA ILE 54 89.655 2.317 2.365 270 HB ILE 54 HB ILE 54 91.824 3.261 3.997 271 1HG1 ILE 54 HG12 ILE 54 91.051 4.870 1.589 272 2HG1 ILE 54 HG11 ILE 54 91.174 5.427 3.228 273 1HG2 ILE 54 HG21 ILE 54 92.309 1.966 2.084 274 2HG2 ILE 54 HG22 ILE 54 92.393 2.252 1.883 275 3HG2 ILE 54 HG23 ILE 54 92.097 2.063 1.811 276 1HD1 ILE 54 HD11 ILE 54 93.391 5.025 2.151 277 2HD1 ILE 54 HD12 ILE 54 93.362 5.253 2.401 278 3HD1 ILE 54 HD13 ILE 54 93.281 5.340 2.082 279 H LEU 55 HN LEU 55 88.304 3.442 5.016 280 HA LEU 55 HA LEU 55 88.910 2.642 7.204 281 1HB LEU 55 HB2 LEU 55 87.118 2.745 6.759 282 2HB LEU 55 HB1 LEU 55 86.800 1.848 6.333 283 HG LEU 55 HG LEU 55 86.925 1.377 7.841 284 1HD1 LEU 55 HD11 LEU 55 86.140 1.943 8.260 285 2HD1 LEU 55 HD12 LEU 55 86.406 1.779 8.435 286 3HD1 LEU 55 HD13 LEU 55 86.280 1.806 8.333 287 1HD2 LEU 55 HD21 LEU 55 85.882 1.557 7.860 288 2HD2 LEU 55 HD22 LEU 55 85.820 1.254 7.984 289 3HD2 LEU 55 HD23 LEU 55 85.690 1.343 7.679 290 H ALA 56 HN ALA 56 89.150 1.169 5.319 291 HA ALA 56 HA ALA 56 89.690 -0.573 6.529 292 1HB ALA 56 HB1 ALA 56 89.276 -1.349 5.968 293 2HB ALA 56 HB2 ALA 56 89.126 -0.984 5.759 294 3HB ALA 56 HB3 ALA 56 89.088 -0.959 5.877 295 H MET 57 HN MET 57 90.852 -0.396 5.515 296 HA MET 57 HA MET 57 91.594 -2.290 4.720 297 1HB MET 57 HB2 MET 57 92.751 -0.561 4.792 298 2HB MET 57 HB1 MET 57 93.452 -1.480 5.316 299 1HG MET 57 HG2 MET 57 92.900 -1.877 3.226 300 2HG MET 57 HG1 MET 57 93.302 -1.006 3.025 301 1HE MET 57 HE1 MET 57 94.546 -2.009 3.733 302 2HE MET 57 HE2 MET 57 94.408 -2.381 3.436 303 3HE MET 57 HE3 MET 57 94.355 -2.169 3.377 304 H HIS 58 HN HIS 58 93.067 -2.890 6.555 305 HA HIS 58 HA HIS 58 92.647 -3.602 7.991 306 1HB HIS 58 HB2 HIS 58 93.766 -4.383 7.477 307 2HB HIS 58 HB1 HIS 58 93.941 -4.415 8.080 308 HD2 HIS 58 HD2 HIS 58 93.585 -4.248 7.676 309 HE1 HIS 58 HE1 HIS 58 93.759 -5.482 7.514 310 HE2 HIS 58 HE2 HIS 58 93.641 -4.973 7.522 311 H GLU 59 HN GLU 59 94.007 -2.886 8.710 312 HA GLU 59 HA GLU 59 94.524 -2.900 10.541 313 1HB GLU 59 HB2 GLU 59 95.617 -3.111 9.311 314 2HB GLU 59 HB1 GLU 59 95.919 -2.312 9.823 315 1HG GLU 59 HG2 GLU 59 96.327 -3.265 10.683 316 2HG GLU 59 HG1 GLU 59 96.245 -3.869 10.538 317 H ASN 60 HN ASN 60 94.474 -1.099 9.285 318 HA ASN 60 HA ASN 60 94.253 0.551 10.306 319 1HB ASN 60 HB2 ASN 60 95.404 0.123 9.408 320 2HB ASN 60 HB1 ASN 60 94.744 1.154 9.235 321 1HD2 ASN 60 HD21 ASN 60 95.746 0.719 9.754 322 2HD2 ASN 60 HD22 ASN 60 96.054 1.041 10.085 323 H VAL 61 HN VAL 61 92.988 1.363 10.171 324 HA VAL 61 HA VAL 61 91.648 2.375 8.556 325 HB VAL 61 HB VAL 61 90.653 2.486 10.064 326 1HG1 VAL 61 HG11 VAL 61 90.819 1.694 10.237 327 2HG1 VAL 61 HG12 VAL 61 90.574 1.452 9.856 328 3HG1 VAL 61 HG13 VAL 61 90.665 1.596 10.272 329 1HG2 VAL 61 HG21 VAL 61 91.316 2.268 10.856 330 2HG2 VAL 61 HG22 VAL 61 91.472 2.220 10.897 331 3HG2 VAL 61 HG23 VAL 61 91.260 2.489 11.003 332 H LEU 62 HN LEU 62 91.080 3.973 8.023 333 HA LEU 62 HA LEU 62 91.395 5.710 7.817 334 1HB LEU 62 HB2 LEU 62 91.811 5.957 9.833 335 2HB LEU 62 HB1 LEU 62 91.992 5.901 9.903 336 HG LEU 62 HG LEU 62 91.957 5.957 9.224 337 1HD1 LEU 62 HD11 LEU 62 91.926 6.614 10.293 338 2HD1 LEU 62 HD12 LEU 62 91.820 6.333 10.453 339 3HD1 LEU 62 HD13 LEU 62 91.959 6.668 10.181 340 1HD2 LEU 62 HD21 LEU 62 92.171 6.413 10.753 341 2HD2 LEU 62 HD22 LEU 62 91.935 6.532 10.404 342 3HD2 LEU 62 HD23 LEU 62 92.195 6.390 10.398 343 H LYS 63 HN LYS 63 93.588 5.012 8.484 344 HA LYS 63 HA LYS 63 94.972 5.200 7.491 345 1HB LYS 63 HB2 LYS 63 95.075 6.264 8.117 346 2HB LYS 63 HB1 LYS 63 95.899 5.989 8.428 347 1HG LYS 63 HG2 LYS 63 96.342 6.094 7.709 348 2HG LYS 63 HG1 LYS 63 96.202 6.322 7.422 349 1HD LYS 63 HD1 LYS 63 96.509 6.890 7.784 350 2HD LYS 63 HD2 LYS 63 96.564 6.721 7.719 351 1HE LYS 63 HE2 LYS 63 97.258 7.165 7.314 352 2HE LYS 63 HE1 LYS 63 97.222 7.200 7.658 353 1HZ LYS 63 HZ1 LYS 63 98.016 7.362 7.092 354 2HZ LYS 63 HZ2 LYS 63 97.947 7.406 7.515 355 3HZ LYS 63 HZ3 LYS 63 97.824 7.484 7.204 Start of MODEL 2 1 H ARG 16 HN ARG 16 94.600 -9.752 -5.384 2 HA ARG 16 HA ARG 16 92.564 -9.469 -4.309 3 1HB ARG 16 HB2 ARG 16 91.128 -11.550 -4.836 4 2HB ARG 16 HB1 ARG 16 91.832 -10.645 -6.167 5 1HG ARG 16 HG2 ARG 16 93.089 -12.370 -6.833 6 2HG ARG 16 HG1 ARG 16 93.522 -12.821 -5.185 7 1HD ARG 16 HD2 ARG 16 92.271 -14.634 -5.874 8 2HD ARG 16 HD1 ARG 16 91.077 -13.652 -5.028 9 HE ARG 16 HE ARG 16 91.175 -13.069 -7.821 10 1HH1 ARG 16 1HH1 ARG 16 89.909 -15.304 -5.459 11 2HH1 ARG 16 2HH1 ARG 16 88.570 -15.785 -6.446 12 1HH2 ARG 16 1HH2 ARG 16 89.412 -13.700 -9.122 13 2HH2 ARG 16 2HH2 ARG 16 88.288 -14.875 -8.525 14 H GLU 17 HN GLU 17 92.737 -9.241 -2.129 15 HA GLU 17 HA GLU 17 92.251 -11.668 -0.547 16 1HB GLU 17 HB2 GLU 17 94.665 -10.459 -0.507 17 2HB GLU 17 HB1 GLU 17 93.850 -9.539 0.750 18 1HG GLU 17 HG2 GLU 17 94.070 -11.194 2.204 19 2HG GLU 17 HG1 GLU 17 93.368 -12.356 1.079 20 H SER 18 HN SER 18 90.061 -10.627 -1.049 21 HA SER 18 HA SER 18 88.172 -9.903 0.023 22 1HB SER 18 HB2 SER 18 89.594 -10.082 2.181 23 2HB SER 18 HB1 SER 18 89.770 -8.335 2.023 24 HG SER 18 HG SER 18 87.869 -8.187 2.877 25 H LYS 19 HN LYS 19 90.678 -7.966 -1.140 26 HA LYS 19 HA LYS 19 90.778 -5.950 -2.145 27 1HB LYS 19 HB2 LYS 19 87.780 -6.101 -2.392 28 2HB LYS 19 HB1 LYS 19 88.917 -5.280 -3.452 29 1HG LYS 19 HG2 LYS 19 89.760 -7.904 -3.522 30 2HG LYS 19 HG1 LYS 19 88.001 -8.030 -3.485 31 1HD LYS 19 HD2 LYS 19 88.476 -5.987 -5.289 32 2HD LYS 19 HD1 LYS 19 89.765 -7.147 -5.621 33 1HE LYS 19 HE2 LYS 19 88.041 -8.929 -5.772 34 2HE LYS 19 HE1 LYS 19 86.799 -7.691 -5.586 35 1HZ LYS 19 HZ1 LYS 19 87.796 -6.610 -7.600 36 2HZ LYS 19 HZ2 LYS 19 87.028 -8.090 -7.885 37 3HZ LYS 19 HZ3 LYS 19 88.716 -8.013 -7.823 38 H CYS 20 HN CYS 20 90.331 -3.694 -1.930 39 HA CYS 20 HA CYS 20 89.953 -2.918 0.792 40 1HB CYS 20 HB2 CYS 20 91.607 -1.784 -0.596 41 2HB CYS 20 HB1 CYS 20 90.336 -1.230 -1.685 42 HA PRO 21 HA PRO 21 86.038 -0.773 -1.437 43 1HB PRO 21 HB2 PRO 21 85.216 -3.374 -2.645 44 2HB PRO 21 HB1 PRO 21 84.929 -1.730 -3.225 45 1HG PRO 21 HG2 PRO 21 86.803 -3.258 -4.341 46 2HG PRO 21 HG1 PRO 21 87.065 -1.522 -4.098 47 1HD PRO 21 HD2 PRO 21 88.193 -3.831 -2.607 48 2HD PRO 21 HD1 PRO 21 88.915 -2.249 -2.946 49 H THR 22 HN THR 22 86.158 -1.139 0.976 50 HA THR 22 HA THR 22 84.720 -3.382 2.043 51 HB THR 22 HB THR 22 84.890 -1.624 4.086 52 HG1 THR 22 HG1 THR 22 85.808 0.055 3.065 53 1HG2 THR 22 1HG2 THR 22 86.342 -3.863 3.275 54 2HG2 THR 22 2HG2 THR 22 86.326 -3.108 4.869 55 3HG2 THR 22 3HG2 THR 22 87.532 -2.625 3.676 56 HA PRO 23 HA PRO 23 80.505 -2.079 2.507 57 1HB PRO 23 HB2 PRO 23 81.122 -1.187 5.303 58 2HB PRO 23 HB1 PRO 23 79.750 -2.130 4.705 59 1HG PRO 23 HG2 PRO 23 81.781 -3.328 5.947 60 2HG PRO 23 HG1 PRO 23 80.984 -4.087 4.557 61 1HD PRO 23 HD2 PRO 23 83.654 -2.812 4.740 62 2HD PRO 23 HD1 PRO 23 83.087 -4.097 3.657 63 H GLY 24 HN GLY 24 83.042 0.038 3.665 64 1HA GLY 24 HA2 GLY 24 81.408 2.415 3.206 65 2HA GLY 24 HA1 GLY 24 82.998 2.376 3.957 66 H CYS 25 HN CYS 25 84.824 1.665 2.429 67 HA CYS 25 HA CYS 25 85.081 3.482 0.370 68 1HB CYS 25 HB2 CYS 25 86.981 2.140 1.411 69 2HB CYS 25 HB1 CYS 25 86.480 0.797 0.369 70 H ASP 26 HN ASP 26 85.250 3.154 -1.990 71 HA ASP 26 HA ASP 26 83.151 1.311 -2.911 72 1HB ASP 26 HB2 ASP 26 82.919 3.858 -3.197 73 2HB ASP 26 HB1 ASP 26 84.164 3.702 -4.431 74 H GLY 27 HN GLY 27 86.362 2.598 -3.650 75 1HA GLY 27 HA2 GLY 27 88.140 1.312 -4.515 76 2HA GLY 27 HA1 GLY 27 86.981 0.119 -5.043 77 H THR 28 HN THR 28 87.611 3.507 -5.625 78 HA THR 28 HA THR 28 87.998 3.058 -8.408 79 HB THR 28 HB THR 28 85.440 3.803 -7.385 80 HG1 THR 28 HG1 THR 28 84.893 2.982 -9.238 81 1HG2 THR 28 1HG2 THR 28 85.964 6.112 -7.582 82 2HG2 THR 28 2HG2 THR 28 84.938 5.664 -8.945 83 3HG2 THR 28 3HG2 THR 28 86.674 5.870 -9.178 84 H GLY 29 HN GLY 29 89.456 4.443 -9.199 85 1HA GLY 29 HA2 GLY 29 90.493 6.513 -9.535 86 2HA GLY 29 HA1 GLY 29 89.680 7.138 -8.109 87 H HIS 30 HN HIS 30 91.352 4.121 -7.898 88 HA HIS 30 HA HIS 30 92.913 3.571 -6.217 89 1HB HIS 30 HB2 HIS 30 93.663 3.837 -8.681 90 2HB HIS 30 HB1 HIS 30 94.692 5.088 -8.064 91 HD2 HIS 30 HD2 HIS 30 94.173 1.215 -7.735 92 HE1 HIS 30 HE1 HIS 30 98.178 2.222 -6.821 93 HE2 HIS 30 HE2 HIS 30 96.501 0.332 -7.010 94 H VAL 31 HN VAL 31 95.381 4.786 -5.745 95 HA VAL 31 HA VAL 31 94.769 6.526 -3.623 96 HB VAL 31 HB VAL 31 96.807 5.200 -3.605 97 1HG1 VAL 31 1HG1 VAL 31 97.980 5.034 -5.486 98 2HG1 VAL 31 2HG1 VAL 31 98.635 6.632 -5.126 99 3HG1 VAL 31 3HG1 VAL 31 97.220 6.472 -6.166 100 1HG2 VAL 31 1HG2 VAL 31 98.200 7.705 -3.515 101 2HG2 VAL 31 2HG2 VAL 31 97.673 6.671 -2.186 102 3HG2 VAL 31 3HG2 VAL 31 96.581 7.891 -2.840 103 H THR 32 HN THR 32 95.660 7.317 -6.965 104 HA THR 32 HA THR 32 95.127 10.113 -6.253 105 HB THR 32 HB THR 32 97.493 10.033 -6.379 106 HG1 THR 32 HG1 THR 32 96.541 10.898 -8.904 107 1HG2 THR 32 1HG2 THR 32 98.727 9.163 -8.294 108 2HG2 THR 32 2HG2 THR 32 97.220 8.567 -8.991 109 3HG2 THR 32 3HG2 THR 32 97.813 7.898 -7.471 110 H GLY 33 HN GLY 33 93.633 7.874 -7.647 111 1HA GLY 33 HA2 GLY 33 92.158 7.698 -9.390 112 2HA GLY 33 HA1 GLY 33 92.310 9.436 -9.521 113 H LEU 34 HN LEU 34 95.219 7.715 -9.815 114 HA LEU 34 HA LEU 34 95.229 8.292 -12.684 115 1HB LEU 34 HB2 LEU 34 97.544 7.614 -10.888 116 2HB LEU 34 HB1 LEU 34 97.641 8.111 -12.572 117 HG LEU 34 HG LEU 34 96.348 9.807 -10.500 118 1HD1 LEU 34 1HD1 LEU 34 98.317 10.696 -9.785 119 2HD1 LEU 34 2HD1 LEU 34 99.103 10.472 -11.346 120 3HD1 LEU 34 3HD1 LEU 34 98.936 9.110 -10.239 121 1HD2 LEU 34 1HD2 LEU 34 97.433 11.473 -12.335 122 2HD2 LEU 34 2HD2 LEU 34 95.786 10.847 -12.410 123 3HD2 LEU 34 3HD2 LEU 34 97.070 10.065 -13.333 124 H TYR 35 HN TYR 35 94.359 5.872 -10.789 125 HA TYR 35 HA TYR 35 95.451 3.845 -12.645 126 1HB TYR 35 HB2 TYR 35 94.686 3.349 -9.782 127 2HB TYR 35 HB1 TYR 35 95.472 2.220 -10.865 128 HD1 TYR 35 HD1 TYR 35 96.144 5.758 -9.907 129 HD2 TYR 35 HD2 TYR 35 97.633 1.797 -10.124 130 HE1 TYR 35 HE1 TYR 35 98.323 6.548 -9.096 131 HE2 TYR 35 HE2 TYR 35 99.822 2.567 -9.326 132 HH TYR 35 HH TYR 35 100.808 5.654 -9.345 133 HA PRO 36 HA PRO 36 91.242 2.861 -13.513 134 1HB PRO 36 HB2 PRO 36 91.303 0.175 -13.904 135 2HB PRO 36 HB1 PRO 36 91.981 1.321 -15.066 136 1HG PRO 36 HG2 PRO 36 93.372 -0.319 -12.988 137 2HG PRO 36 HG1 PRO 36 93.861 0.023 -14.658 138 1HD PRO 36 HD2 PRO 36 94.901 1.326 -12.506 139 2HD PRO 36 HD1 PRO 36 94.747 2.073 -14.108 140 H HIS 37 HN HIS 37 91.733 3.197 -10.766 141 HA HIS 37 HA HIS 37 90.439 2.910 -8.894 142 1HB HIS 37 HB2 HIS 37 89.597 0.149 -9.695 143 2HB HIS 37 HB1 HIS 37 88.786 1.293 -8.643 144 HD2 HIS 37 HD2 HIS 37 88.124 3.750 -10.463 145 HE1 HIS 37 HE1 HIS 37 86.767 0.947 -13.326 146 HE2 HIS 37 HE2 HIS 37 86.574 3.335 -12.498 147 H HIS 38 HN HIS 38 90.378 1.021 -7.183 148 HA HIS 38 HA HIS 38 92.965 -0.368 -7.247 149 1HB HIS 38 HB2 HIS 38 93.369 0.179 -4.892 150 2HB HIS 38 HB1 HIS 38 93.264 1.638 -5.869 151 HD1 HIS 38 HD1 HIS 38 91.172 3.161 -5.497 152 HD2 HIS 38 HD2 HIS 38 91.541 -0.069 -2.925 153 HE1 HIS 38 HE1 HIS 38 89.423 3.509 -3.664 154 H ARG 39 HN ARG 39 92.328 -2.389 -7.441 155 HA ARG 39 HA ARG 39 89.901 -3.404 -6.392 156 1HB ARG 39 HB2 ARG 39 92.243 -5.067 -7.293 157 2HB ARG 39 HB1 ARG 39 90.535 -5.484 -7.333 158 1HG ARG 39 HG2 ARG 39 90.684 -3.192 -8.870 159 2HG ARG 39 HG1 ARG 39 92.153 -4.078 -9.283 160 1HD ARG 39 HD2 ARG 39 90.844 -6.052 -9.812 161 2HD ARG 39 HD1 ARG 39 89.366 -5.230 -9.317 162 HE ARG 39 HE ARG 39 90.814 -3.885 -11.409 163 1HH1 ARG 39 1HH1 ARG 39 88.409 -6.306 -10.679 164 2HH1 ARG 39 2HH1 ARG 39 87.646 -6.195 -12.230 165 1HH2 ARG 39 1HH2 ARG 39 89.812 -3.737 -13.449 166 2HH2 ARG 39 2HH2 ARG 39 88.443 -4.737 -13.803 167 H SER 40 HN SER 40 92.670 -2.655 -4.695 168 HA SER 40 HA SER 40 91.828 -3.857 -2.352 169 1HB SER 40 HB2 SER 40 93.443 -5.721 -2.090 170 2HB SER 40 HB1 SER 40 92.269 -6.012 -3.371 171 HG SER 40 HG SER 40 93.980 -5.089 -4.792 172 H LEU 41 HN LEU 41 92.744 -1.396 -2.417 173 HA LEU 41 HA LEU 41 94.172 -0.064 -1.269 174 1HB LEU 41 HB2 LEU 41 96.003 -2.371 -0.708 175 2HB LEU 41 HB1 LEU 41 95.720 -0.931 0.250 176 HG LEU 41 HG LEU 41 93.399 -2.743 -0.101 177 1HD1 LEU 41 1HD1 LEU 41 94.170 -4.527 1.003 178 2HD1 LEU 41 2HD1 LEU 41 95.146 -3.551 2.100 179 3HD1 LEU 41 3HD1 LEU 41 95.761 -3.958 0.498 180 1HD2 LEU 41 1HD2 LEU 41 92.682 -1.792 1.803 181 2HD2 LEU 41 2HD2 LEU 41 93.820 -0.531 1.332 182 3HD2 LEU 41 3HD2 LEU 41 94.292 -1.747 2.519 183 H SER 42 HN SER 42 97.014 -0.166 -1.177 184 HA SER 42 HA SER 42 98.816 0.398 -2.457 185 1HB SER 42 HB2 SER 42 97.444 -1.644 -4.106 186 2HB SER 42 HB1 SER 42 98.536 -0.572 -4.982 187 HG SER 42 HG SER 42 99.616 -2.418 -4.175 188 H GLY 43 HN GLY 43 95.718 1.378 -2.960 189 1HA GLY 43 HA2 GLY 43 96.545 3.662 -4.525 190 2HA GLY 43 HA1 GLY 43 95.210 2.697 -5.125 191 H CYS 44 HN CYS 44 93.264 2.823 -4.233 192 HA CYS 44 HA CYS 44 91.517 3.805 -3.088 193 1HB CYS 44 HB2 CYS 44 92.869 2.442 -1.315 194 2HB CYS 44 HB1 CYS 44 93.283 4.032 -0.686 195 HA PRO 45 HA PRO 45 92.772 8.180 -3.313 196 1HB PRO 45 HB2 PRO 45 90.640 9.096 -4.619 197 2HB PRO 45 HB1 PRO 45 91.861 8.129 -5.444 198 1HG PRO 45 HG2 PRO 45 89.153 7.348 -4.482 199 2HG PRO 45 HG1 PRO 45 90.026 6.811 -5.924 200 1HD PRO 45 HD2 PRO 45 89.821 5.421 -3.492 201 2HD PRO 45 HD1 PRO 45 90.960 5.068 -4.804 202 H HIS 46 HN HIS 46 91.344 7.047 -0.890 203 HA HIS 46 HA HIS 46 89.698 9.429 -0.363 204 1HB HIS 46 HB2 HIS 46 89.247 6.812 1.011 205 2HB HIS 46 HB1 HIS 46 88.143 8.160 0.787 206 HD2 HIS 46 HD2 HIS 46 88.858 4.799 -0.648 207 HE1 HIS 46 HE1 HIS 46 86.687 6.888 -3.602 208 HE2 HIS 46 HE2 HIS 46 87.690 4.659 -2.954 209 H LYS 47 HN LYS 47 90.555 7.048 2.137 210 HA LYS 47 HA LYS 47 91.919 7.191 3.952 211 1HB LYS 47 HB2 LYS 47 93.304 8.698 2.039 212 2HB LYS 47 HB1 LYS 47 93.249 9.715 3.471 213 1HG LYS 47 HG2 LYS 47 93.913 7.243 4.478 214 2HG LYS 47 HG1 LYS 47 94.787 7.312 2.947 215 1HD LYS 47 HD2 LYS 47 95.223 9.810 3.998 216 2HD LYS 47 HD1 LYS 47 95.232 8.785 5.433 217 1HE LYS 47 HE2 LYS 47 97.433 8.644 4.828 218 2HE LYS 47 HE1 LYS 47 96.780 7.273 3.934 219 1HZ LYS 47 HZ1 LYS 47 97.273 9.986 2.828 220 2HZ LYS 47 HZ2 LYS 47 96.639 8.675 1.967 221 3HZ LYS 47 HZ3 LYS 47 98.225 8.616 2.548 222 H ASP 48 HN ASP 48 89.630 7.707 4.732 223 HA ASP 48 HA ASP 48 89.856 10.054 6.422 224 1HB ASP 48 HB2 ASP 48 88.533 10.457 4.089 225 2HB ASP 48 HB1 ASP 48 87.210 9.922 5.121 226 H ARG 49 HN ARG 49 89.600 7.022 6.448 227 HA ARG 49 HA ARG 49 88.622 5.393 7.694 228 1HB ARG 49 HB2 ARG 49 88.376 5.861 9.983 229 2HB ARG 49 HB1 ARG 49 89.611 6.970 9.415 230 1HG ARG 49 HG2 ARG 49 88.327 8.807 9.766 231 2HG ARG 49 HG1 ARG 49 86.815 7.952 9.459 232 1HD ARG 49 HD2 ARG 49 86.974 6.841 11.609 233 2HD ARG 49 HD1 ARG 49 88.533 7.601 11.912 234 HE ARG 49 HE ARG 49 85.912 8.884 12.006 235 1HH1 ARG 49 1HH1 ARG 49 89.386 9.187 12.280 236 2HH1 ARG 49 2HH1 ARG 49 89.306 10.693 13.128 237 1HH2 ARG 49 1HH2 ARG 49 85.817 10.861 13.120 238 2HH2 ARG 49 2HH2 ARG 49 87.285 11.644 13.603 239 H VAL 50 HN VAL 50 86.614 4.991 9.248 240 HA VAL 50 HA VAL 50 84.479 4.209 8.853 241 HB VAL 50 HB VAL 50 84.224 7.098 9.642 242 1HG1 VAL 50 1HG1 VAL 50 81.953 6.655 10.333 243 2HG1 VAL 50 2HG1 VAL 50 82.079 4.978 9.802 244 3HG1 VAL 50 3HG1 VAL 50 82.101 6.282 8.616 245 1HG2 VAL 50 1HG2 VAL 50 83.906 6.156 11.864 246 2HG2 VAL 50 2HG2 VAL 50 85.445 5.647 11.170 247 3HG2 VAL 50 3HG2 VAL 50 84.081 4.529 11.207 248 HA PRO 51 HA PRO 51 81.915 6.627 5.533 249 1HB PRO 51 HB2 PRO 51 83.900 8.729 4.806 250 2HB PRO 51 HB1 PRO 51 82.140 8.805 4.818 251 1HG PRO 51 HG2 PRO 51 83.620 9.938 6.743 252 2HG PRO 51 HG1 PRO 51 82.038 9.211 7.075 253 1HD PRO 51 HD2 PRO 51 84.743 8.239 7.769 254 2HD PRO 51 HD1 PRO 51 83.184 7.930 8.547 255 HA PRO 52 HA PRO 52 83.742 4.424 2.189 256 1HB PRO 52 HB2 PRO 52 83.479 6.261 0.073 257 2HB PRO 52 HB1 PRO 52 82.315 5.018 0.530 258 1HG PRO 52 HG2 PRO 52 82.352 7.917 1.200 259 2HG PRO 52 HG1 PRO 52 80.969 6.847 0.900 260 1HD PRO 52 HD2 PRO 52 81.605 7.626 3.378 261 2HD PRO 52 HD1 PRO 52 81.017 5.980 3.058 262 H GLU 53 HN GLU 53 85.921 4.411 2.871 263 HA GLU 53 HA GLU 53 87.643 6.013 1.267 264 1HB GLU 53 HB2 GLU 53 87.537 6.301 4.242 265 2HB GLU 53 HB1 GLU 53 88.973 6.720 3.319 266 1HG GLU 53 HG2 GLU 53 88.029 8.755 3.286 267 2HG GLU 53 HG1 GLU 53 87.135 8.087 1.930 268 H ILE 54 HN ILE 54 88.963 4.871 4.187 269 HA ILE 54 HA ILE 54 89.795 2.327 3.048 270 HB ILE 54 HB ILE 54 92.122 3.550 4.217 271 1HG1 ILE 54 2HG1 ILE 54 91.110 4.974 1.743 272 2HG1 ILE 54 1HG1 ILE 54 91.071 5.652 3.367 273 1HG2 ILE 54 1HG2 ILE 54 91.357 1.998 1.866 274 2HG2 ILE 54 2HG2 ILE 54 92.767 1.869 2.913 275 3HG2 ILE 54 3HG2 ILE 54 92.740 3.064 1.618 276 1HD1 ILE 54 1HD1 ILE 54 92.973 6.458 2.062 277 2HD1 ILE 54 2HD1 ILE 54 93.553 4.802 1.897 278 3HD1 ILE 54 3HD1 ILE 54 93.488 5.558 3.488 279 H LEU 55 HN LEU 55 88.277 3.532 5.435 280 HA LEU 55 HA LEU 55 89.583 3.236 7.811 281 1HB LEU 55 HB2 LEU 55 87.321 3.918 7.834 282 2HB LEU 55 HB1 LEU 55 86.789 2.454 7.040 283 HG LEU 55 HG LEU 55 87.587 1.239 9.170 284 1HD1 LEU 55 1HD1 LEU 55 88.546 3.690 9.856 285 2HD1 LEU 55 2HD1 LEU 55 88.205 2.383 10.989 286 3HD1 LEU 55 3HD1 LEU 55 87.010 3.652 10.722 287 1HD2 LEU 55 1HD2 LEU 55 85.152 2.359 8.397 288 2HD2 LEU 55 2HD2 LEU 55 85.330 2.764 10.106 289 3HD2 LEU 55 3HD2 LEU 55 85.413 1.081 9.584 290 H ALA 56 HN ALA 56 88.664 0.766 5.613 291 HA ALA 56 HA ALA 56 89.577 -1.286 7.456 292 1HB ALA 56 HB1 ALA 56 88.399 -2.690 5.457 293 2HB ALA 56 HB2 ALA 56 87.442 -1.208 5.470 294 3HB ALA 56 HB3 ALA 56 87.594 -2.172 6.938 295 H MET 57 HN MET 57 91.549 0.187 6.184 296 HA MET 57 HA MET 57 92.458 -1.003 3.779 297 1HB MET 57 HB2 MET 57 93.158 1.240 4.943 298 2HB MET 57 HB1 MET 57 94.354 0.236 5.745 299 1HG MET 57 HG2 MET 57 95.246 -0.447 3.581 300 2HG MET 57 HG1 MET 57 94.039 0.545 2.769 301 1HE MET 57 HE1 MET 57 96.477 0.929 1.690 302 2HE MET 57 HE2 MET 57 97.336 2.423 2.064 303 3HE MET 57 HE3 MET 57 95.683 2.486 1.454 304 H HIS 58 HN HIS 58 94.326 -1.158 6.796 305 HA HIS 58 HA HIS 58 94.202 -3.849 7.346 306 1HB HIS 58 HB2 HIS 58 96.233 -4.773 6.324 307 2HB HIS 58 HB1 HIS 58 95.089 -4.262 5.091 308 HD2 HIS 58 HD2 HIS 58 95.947 -2.278 3.405 309 HE1 HIS 58 HE1 HIS 58 99.764 -1.842 5.177 310 HE2 HIS 58 HE2 HIS 58 98.239 -1.069 3.304 311 H GLU 59 HN GLU 59 96.646 -1.316 6.882 312 HA GLU 59 HA GLU 59 97.322 -1.538 9.729 313 1HB GLU 59 HB2 GLU 59 98.998 -2.626 8.021 314 2HB GLU 59 HB1 GLU 59 99.483 -0.960 7.739 315 1HG GLU 59 HG2 GLU 59 99.812 -0.776 10.240 316 2HG GLU 59 HG1 GLU 59 99.635 -2.530 10.293 317 H ASN 60 HN ASN 60 97.414 0.393 6.770 318 HA ASN 60 HA ASN 60 97.855 2.826 8.319 319 1HB ASN 60 HB2 ASN 60 98.705 2.032 5.809 320 2HB ASN 60 HB1 ASN 60 97.399 3.157 5.448 321 1HD2 ASN 60 1HD2 ASN 60 97.540 5.302 6.260 322 2HD2 ASN 60 2HD2 ASN 60 99.087 6.005 6.616 323 H VAL 61 HN VAL 61 95.418 1.535 8.812 324 HA VAL 61 HA VAL 61 93.296 2.647 7.269 325 HB VAL 61 HB VAL 61 91.832 1.886 9.120 326 1HG1 VAL 61 1HG1 VAL 61 93.558 -0.460 8.789 327 2HG1 VAL 61 2HG1 VAL 61 93.158 0.375 7.290 328 3HG1 VAL 61 3HG1 VAL 61 91.871 -0.218 8.339 329 1HG2 VAL 61 1HG2 VAL 61 93.738 2.333 10.834 330 2HG2 VAL 61 2HG2 VAL 61 94.217 0.679 10.456 331 3HG2 VAL 61 3HG2 VAL 61 92.612 1.004 11.110 332 H LEU 62 HN LEU 62 91.681 4.171 8.084 333 HA LEU 62 HA LEU 62 91.071 6.185 8.925 334 1HB LEU 62 HB2 LEU 62 92.942 5.317 11.119 335 2HB LEU 62 HB1 LEU 62 92.023 6.806 11.195 336 HG LEU 62 HG LEU 62 89.944 5.338 10.891 337 1HD1 LEU 62 1HD1 LEU 62 90.715 3.267 10.214 338 2HD1 LEU 62 2HD1 LEU 62 90.412 3.018 11.933 339 3HD1 LEU 62 3HD1 LEU 62 92.057 3.280 11.358 340 1HD2 LEU 62 1HD2 LEU 62 90.119 4.609 13.363 341 2HD2 LEU 62 2HD2 LEU 62 90.178 6.327 12.973 342 3HD2 LEU 62 3HD2 LEU 62 91.667 5.454 13.332 343 H LYS 63 HN LYS 63 94.383 6.298 10.173 344 HA LYS 63 HA LYS 63 95.074 8.281 8.127 345 1HB LYS 63 HB2 LYS 63 96.075 9.745 9.838 346 2HB LYS 63 HB1 LYS 63 94.339 9.573 10.052 347 1HG LYS 63 HG2 LYS 63 94.930 7.734 11.741 348 2HG LYS 63 HG1 LYS 63 96.558 8.417 11.696 349 1HD LYS 63 HD2 LYS 63 94.386 10.372 12.037 350 2HD LYS 63 HD1 LYS 63 94.596 9.242 13.376 351 1HE LYS 63 HE2 LYS 63 96.931 10.702 12.191 352 2HE LYS 63 HE1 LYS 63 95.911 11.457 13.414 353 1HZ LYS 63 HZ1 LYS 63 97.107 8.793 13.854 354 2HZ LYS 63 HZ2 LYS 63 96.526 9.893 15.000 355 3HZ LYS 63 HZ3 LYS 63 97.976 10.207 14.186 Start of MODEL 3 1 H ARG 16 HN ARG 16 93.609 -9.918 -1.678 2 HA ARG 16 HA ARG 16 95.217 -12.145 -0.701 3 1HB ARG 16 HB2 ARG 16 96.212 -9.513 -0.729 4 2HB ARG 16 HB1 ARG 16 95.753 -9.825 0.938 5 1HG ARG 16 HG2 ARG 16 97.854 -10.636 1.032 6 2HG ARG 16 HG1 ARG 16 97.064 -12.096 0.437 7 1HD ARG 16 HD2 ARG 16 97.695 -10.459 -1.798 8 2HD ARG 16 HD1 ARG 16 99.129 -10.568 -0.779 9 HE ARG 16 HE ARG 16 97.918 -12.685 -2.308 10 1HH1 ARG 16 1HH1 ARG 16 100.001 -11.911 0.384 11 2HH1 ARG 16 2HH1 ARG 16 100.822 -13.434 0.347 12 1HH2 ARG 16 1HH2 ARG 16 98.996 -14.690 -2.356 13 2HH2 ARG 16 2HH2 ARG 16 100.253 -15.013 -1.208 14 H GLU 17 HN GLU 17 92.581 -12.256 -0.659 15 HA GLU 17 HA GLU 17 90.770 -12.594 0.676 16 1HB GLU 17 HB2 GLU 17 92.849 -12.298 2.851 17 2HB GLU 17 HB1 GLU 17 91.188 -12.798 3.139 18 1HG GLU 17 HG2 GLU 17 92.585 -14.349 1.085 19 2HG GLU 17 HG1 GLU 17 93.271 -14.479 2.704 20 H SER 18 HN SER 18 89.264 -11.073 0.645 21 HA SER 18 HA SER 18 88.100 -9.170 1.082 22 1HB SER 18 HB2 SER 18 88.206 -8.272 3.223 23 2HB SER 18 HB1 SER 18 88.915 -9.866 3.482 24 HG SER 18 HG SER 18 90.421 -8.631 4.352 25 H LYS 19 HN LYS 19 88.265 -7.568 -0.346 26 HA LYS 19 HA LYS 19 90.838 -6.342 -0.876 27 1HB LYS 19 HB2 LYS 19 88.170 -6.361 -2.246 28 2HB LYS 19 HB1 LYS 19 89.322 -5.087 -2.612 29 1HG LYS 19 HG2 LYS 19 89.310 -7.082 -4.160 30 2HG LYS 19 HG1 LYS 19 90.878 -6.603 -3.516 31 1HD LYS 19 HD2 LYS 19 90.718 -8.987 -3.412 32 2HD LYS 19 HD1 LYS 19 90.618 -8.358 -1.769 33 1HE LYS 19 HE2 LYS 19 88.930 -9.967 -1.849 34 2HE LYS 19 HE1 LYS 19 88.073 -8.447 -2.105 35 1HZ LYS 19 HZ1 LYS 19 87.525 -10.388 -3.633 36 2HZ LYS 19 HZ2 LYS 19 89.013 -10.085 -4.377 37 3HZ LYS 19 HZ3 LYS 19 87.818 -8.889 -4.362 38 H CYS 20 HN CYS 20 90.364 -3.858 -1.539 39 HA CYS 20 HA CYS 20 89.868 -2.559 0.966 40 1HB CYS 20 HB2 CYS 20 91.654 -1.856 -0.678 41 2HB CYS 20 HB1 CYS 20 90.360 -1.213 -1.692 42 HA PRO 21 HA PRO 21 86.275 -0.489 -1.670 43 1HB PRO 21 HB2 PRO 21 85.274 -2.351 -3.504 44 2HB PRO 21 HB1 PRO 21 86.205 -0.907 -3.896 45 1HG PRO 21 HG2 PRO 21 87.107 -3.731 -3.642 46 2HG PRO 21 HG1 PRO 21 87.665 -2.466 -4.750 47 1HD PRO 21 HD2 PRO 21 89.112 -3.198 -2.626 48 2HD PRO 21 HD1 PRO 21 89.054 -1.509 -3.159 49 H THR 22 HN THR 22 85.991 -1.355 0.620 50 HA THR 22 HA THR 22 83.910 -3.449 0.644 51 HB THR 22 HB THR 22 86.215 -3.495 2.011 52 HG1 THR 22 HG1 THR 22 85.327 -5.180 2.857 53 1HG2 THR 22 1HG2 THR 22 85.980 -2.876 4.302 54 2HG2 THR 22 2HG2 THR 22 84.349 -2.272 4.023 55 3HG2 THR 22 3HG2 THR 22 85.727 -1.448 3.299 56 HA PRO 23 HA PRO 23 80.672 -0.912 2.320 57 1HB PRO 23 HB2 PRO 23 81.433 -1.518 5.152 58 2HB PRO 23 HB1 PRO 23 79.834 -1.519 4.394 59 1HG PRO 23 HG2 PRO 23 81.082 -3.811 4.853 60 2HG PRO 23 HG1 PRO 23 80.192 -3.563 3.339 61 1HD PRO 23 HD2 PRO 23 83.126 -3.569 3.832 62 2HD PRO 23 HD1 PRO 23 82.224 -4.105 2.403 63 H GLY 24 HN GLY 24 83.876 -0.503 3.590 64 1HA GLY 24 HA2 GLY 24 83.280 2.253 4.401 65 2HA GLY 24 HA1 GLY 24 84.700 1.334 4.877 66 H CYS 25 HN CYS 25 83.953 0.963 1.589 67 HA CYS 25 HA CYS 25 85.417 3.266 0.642 68 1HB CYS 25 HB2 CYS 25 87.248 1.745 1.200 69 2HB CYS 25 HB1 CYS 25 86.495 0.464 0.257 70 H ASP 26 HN ASP 26 85.478 3.334 -1.782 71 HA ASP 26 HA ASP 26 83.089 2.018 -2.871 72 1HB ASP 26 HB2 ASP 26 83.364 4.581 -2.860 73 2HB ASP 26 HB1 ASP 26 84.551 4.330 -4.135 74 H GLY 27 HN GLY 27 86.487 2.739 -3.526 75 1HA GLY 27 HA2 GLY 27 88.022 1.328 -4.590 76 2HA GLY 27 HA1 GLY 27 86.696 0.320 -5.103 77 H THR 28 HN THR 28 87.537 3.675 -5.598 78 HA THR 28 HA THR 28 87.932 3.279 -8.381 79 HB THR 28 HB THR 28 85.374 3.965 -7.402 80 HG1 THR 28 HG1 THR 28 86.203 4.150 -10.093 81 1HG2 THR 28 1HG2 THR 28 86.591 6.204 -8.990 82 2HG2 THR 28 2HG2 THR 28 85.922 6.294 -7.362 83 3HG2 THR 28 3HG2 THR 28 84.863 5.970 -8.734 84 H GLY 29 HN GLY 29 89.361 4.691 -9.183 85 1HA GLY 29 HA2 GLY 29 90.404 6.764 -9.470 86 2HA GLY 29 HA1 GLY 29 89.642 7.339 -7.997 87 H HIS 30 HN HIS 30 91.294 4.303 -7.919 88 HA HIS 30 HA HIS 30 92.921 3.708 -6.317 89 1HB HIS 30 HB2 HIS 30 93.593 4.073 -8.803 90 2HB HIS 30 HB1 HIS 30 94.636 5.297 -8.162 91 HD2 HIS 30 HD2 HIS 30 94.108 1.414 -7.886 92 HE1 HIS 30 HE1 HIS 30 98.163 2.381 -7.179 93 HE2 HIS 30 HE2 HIS 30 96.464 0.506 -7.302 94 H VAL 31 HN VAL 31 95.406 4.973 -5.924 95 HA VAL 31 HA VAL 31 94.766 6.728 -3.772 96 HB VAL 31 HB VAL 31 96.763 5.298 -3.686 97 1HG1 VAL 31 1HG1 VAL 31 97.216 6.141 -6.253 98 2HG1 VAL 31 2HG1 VAL 31 98.357 5.251 -5.246 99 3HG1 VAL 31 3HG1 VAL 31 98.445 7.011 -5.335 100 1HG2 VAL 31 1HG2 VAL 31 97.954 8.000 -3.617 101 2HG2 VAL 31 2HG2 VAL 31 97.939 6.734 -2.389 102 3HG2 VAL 31 3HG2 VAL 31 96.512 7.741 -2.635 103 H THR 32 HN THR 32 95.877 7.353 -7.087 104 HA THR 32 HA THR 32 95.775 10.226 -6.458 105 HB THR 32 HB THR 32 97.433 10.604 -8.107 106 HG1 THR 32 HG1 THR 32 98.159 8.648 -9.342 107 1HG2 THR 32 1HG2 THR 32 98.198 9.323 -5.990 108 2HG2 THR 32 2HG2 THR 32 99.300 9.491 -7.357 109 3HG2 THR 32 3HG2 THR 32 98.428 7.978 -7.111 110 H GLY 33 HN GLY 33 93.859 7.953 -7.738 111 1HA GLY 33 HA2 GLY 33 92.079 8.040 -9.188 112 2HA GLY 33 HA1 GLY 33 92.330 9.773 -9.232 113 H LEU 34 HN LEU 34 95.089 7.988 -9.961 114 HA LEU 34 HA LEU 34 94.776 8.653 -12.786 115 1HB LEU 34 HB2 LEU 34 97.306 7.961 -11.325 116 2HB LEU 34 HB1 LEU 34 97.165 8.588 -12.963 117 HG LEU 34 HG LEU 34 96.142 10.066 -10.591 118 1HD1 LEU 34 1HD1 LEU 34 98.824 9.502 -11.012 119 2HD1 LEU 34 2HD1 LEU 34 98.180 10.809 -10.020 120 3HD1 LEU 34 3HD1 LEU 34 98.616 11.111 -11.701 121 1HD2 LEU 34 1HD2 LEU 34 95.989 11.923 -11.999 122 2HD2 LEU 34 2HD2 LEU 34 95.418 10.578 -12.986 123 3HD2 LEU 34 3HD2 LEU 34 97.052 11.203 -13.209 124 H TYR 35 HN TYR 35 94.249 6.141 -10.814 125 HA TYR 35 HA TYR 35 95.217 4.191 -12.820 126 1HB TYR 35 HB2 TYR 35 94.571 3.628 -9.939 127 2HB TYR 35 HB1 TYR 35 95.280 2.509 -11.081 128 HD1 TYR 35 HD1 TYR 35 96.075 6.014 -10.083 129 HD2 TYR 35 HD2 TYR 35 97.462 2.024 -10.460 130 HE1 TYR 35 HE1 TYR 35 98.303 6.727 -9.336 131 HE2 TYR 35 HE2 TYR 35 99.698 2.723 -9.736 132 HH TYR 35 HH TYR 35 100.584 6.033 -9.433 133 HA PRO 36 HA PRO 36 90.994 3.167 -13.555 134 1HB PRO 36 HB2 PRO 36 91.062 0.493 -13.998 135 2HB PRO 36 HB1 PRO 36 91.699 1.666 -15.157 136 1HG PRO 36 HG2 PRO 36 93.162 -0.004 -13.152 137 2HG PRO 36 HG1 PRO 36 93.598 0.371 -14.829 138 1HD PRO 36 HD2 PRO 36 94.692 1.645 -12.688 139 2HD PRO 36 HD1 PRO 36 94.487 2.415 -14.272 140 H HIS 37 HN HIS 37 91.585 3.447 -10.807 141 HA HIS 37 HA HIS 37 90.341 3.115 -8.904 142 1HB HIS 37 HB2 HIS 37 89.479 0.365 -9.722 143 2HB HIS 37 HB1 HIS 37 88.688 1.509 -8.653 144 HD2 HIS 37 HD2 HIS 37 88.589 3.981 -10.888 145 HE1 HIS 37 HE1 HIS 37 86.195 1.195 -12.985 146 HE2 HIS 37 HE2 HIS 37 86.733 3.652 -12.668 147 H HIS 38 HN HIS 38 90.342 1.186 -7.227 148 HA HIS 38 HA HIS 38 92.947 -0.171 -7.414 149 1HB HIS 38 HB2 HIS 38 93.420 0.325 -5.056 150 2HB HIS 38 HB1 HIS 38 93.280 1.798 -6.006 151 HD1 HIS 38 HD1 HIS 38 91.205 3.311 -5.542 152 HD2 HIS 38 HD2 HIS 38 91.636 0.018 -3.047 153 HE1 HIS 38 HE1 HIS 38 89.502 3.619 -3.658 154 H ARG 39 HN ARG 39 92.453 -2.229 -7.518 155 HA ARG 39 HA ARG 39 90.092 -3.431 -6.717 156 1HB ARG 39 HB2 ARG 39 91.777 -4.391 -8.287 157 2HB ARG 39 HB1 ARG 39 92.791 -4.774 -6.903 158 1HG ARG 39 HG2 ARG 39 91.363 -6.429 -6.146 159 2HG ARG 39 HG1 ARG 39 89.982 -5.782 -7.035 160 1HD ARG 39 HD2 ARG 39 91.543 -6.335 -9.107 161 2HD ARG 39 HD1 ARG 39 92.216 -7.502 -7.970 162 HE ARG 39 HE ARG 39 89.630 -7.595 -9.233 163 1HH1 ARG 39 1HH1 ARG 39 91.544 -8.691 -6.527 164 2HH1 ARG 39 2HH1 ARG 39 90.567 -10.091 -6.244 165 1HH2 ARG 39 1HH2 ARG 39 88.347 -9.436 -8.861 166 2HH2 ARG 39 2HH2 ARG 39 88.752 -10.515 -7.569 167 H SER 40 HN SER 40 92.837 -2.548 -4.798 168 HA SER 40 HA SER 40 91.637 -2.832 -2.365 169 1HB SER 40 HB2 SER 40 92.844 -4.977 -1.556 170 2HB SER 40 HB1 SER 40 91.368 -5.155 -2.493 171 HG SER 40 HG SER 40 92.525 -5.770 -4.234 172 H LEU 41 HN LEU 41 92.952 -0.943 -2.142 173 HA LEU 41 HA LEU 41 94.699 0.088 -1.111 174 1HB LEU 41 HB2 LEU 41 96.241 -2.493 -1.123 175 2HB LEU 41 HB1 LEU 41 96.458 -1.104 -0.075 176 HG LEU 41 HG LEU 41 93.800 -2.033 0.286 177 1HD1 LEU 41 1HD1 LEU 41 94.112 -4.203 -0.337 178 2HD1 LEU 41 2HD1 LEU 41 94.668 -4.301 1.333 179 3HD1 LEU 41 3HD1 LEU 41 95.838 -4.179 0.018 180 1HD2 LEU 41 1HD2 LEU 41 96.290 -1.953 1.964 181 2HD2 LEU 41 2HD2 LEU 41 94.752 -2.545 2.593 182 3HD2 LEU 41 3HD2 LEU 41 94.889 -0.884 2.016 183 H SER 42 HN SER 42 97.376 0.004 -1.502 184 HA SER 42 HA SER 42 99.007 0.555 -2.992 185 1HB SER 42 HB2 SER 42 97.325 -1.060 -4.929 186 2HB SER 42 HB1 SER 42 98.939 -0.442 -5.274 187 HG SER 42 HG SER 42 99.669 -2.150 -4.322 188 H GLY 43 HN GLY 43 95.796 1.484 -3.237 189 1HA GLY 43 HA2 GLY 43 96.513 3.846 -4.747 190 2HA GLY 43 HA1 GLY 43 95.162 2.883 -5.310 191 H CYS 44 HN CYS 44 93.249 3.044 -4.372 192 HA CYS 44 HA CYS 44 91.556 3.972 -3.126 193 1HB CYS 44 HB2 CYS 44 92.987 2.578 -1.428 194 2HB CYS 44 HB1 CYS 44 93.393 4.163 -0.776 195 HA PRO 45 HA PRO 45 92.828 8.344 -3.327 196 1HB PRO 45 HB2 PRO 45 90.713 9.276 -4.632 197 2HB PRO 45 HB1 PRO 45 91.907 8.277 -5.461 198 1HG PRO 45 HG2 PRO 45 89.198 7.551 -4.445 199 2HG PRO 45 HG1 PRO 45 90.025 7.005 -5.910 200 1HD PRO 45 HD2 PRO 45 89.859 5.605 -3.483 201 2HD PRO 45 HD1 PRO 45 90.968 5.246 -4.820 202 H HIS 46 HN HIS 46 91.400 7.184 -0.923 203 HA HIS 46 HA HIS 46 89.762 9.568 -0.363 204 1HB HIS 46 HB2 HIS 46 89.271 6.951 0.994 205 2HB HIS 46 HB1 HIS 46 88.178 8.301 0.728 206 HD2 HIS 46 HD2 HIS 46 88.958 4.926 -0.709 207 HE1 HIS 46 HE1 HIS 46 86.761 6.998 -3.653 208 HE2 HIS 46 HE2 HIS 46 87.798 4.783 -3.017 209 H LYS 47 HN LYS 47 90.811 7.018 1.912 210 HA LYS 47 HA LYS 47 92.167 7.111 3.747 211 1HB LYS 47 HB2 LYS 47 93.380 8.901 1.936 212 2HB LYS 47 HB1 LYS 47 93.340 9.727 3.486 213 1HG LYS 47 HG2 LYS 47 94.935 8.430 4.341 214 2HG LYS 47 HG1 LYS 47 94.203 6.959 3.699 215 1HD LYS 47 HD2 LYS 47 95.112 7.918 1.414 216 2HD LYS 47 HD1 LYS 47 96.234 8.766 2.483 217 1HE LYS 47 HE2 LYS 47 96.610 6.442 3.546 218 2HE LYS 47 HE1 LYS 47 95.878 5.817 2.068 219 1HZ LYS 47 HZ1 LYS 47 98.473 7.073 2.469 220 2HZ LYS 47 HZ2 LYS 47 97.664 7.487 1.042 221 3HZ LYS 47 HZ3 LYS 47 98.010 5.865 1.377 222 H ASP 48 HN ASP 48 89.805 7.466 4.539 223 HA ASP 48 HA ASP 48 89.951 9.629 6.463 224 1HB ASP 48 HB2 ASP 48 88.623 10.176 4.128 225 2HB ASP 48 HB1 ASP 48 87.322 9.605 5.166 226 H ARG 49 HN ARG 49 89.670 6.567 6.118 227 HA ARG 49 HA ARG 49 88.556 4.821 7.098 228 1HB ARG 49 HB2 ARG 49 89.659 6.463 8.969 229 2HB ARG 49 HB1 ARG 49 87.999 6.370 9.537 230 1HG ARG 49 HG2 ARG 49 88.501 3.759 9.063 231 2HG ARG 49 HG1 ARG 49 90.112 4.327 9.506 232 1HD ARG 49 HD2 ARG 49 87.695 4.989 11.155 233 2HD ARG 49 HD1 ARG 49 88.577 3.481 11.378 234 HE ARG 49 HE ARG 49 90.574 4.955 11.780 235 1HH1 ARG 49 1HH1 ARG 49 87.325 6.070 12.453 236 2HH1 ARG 49 2HH1 ARG 49 87.838 7.210 13.648 237 1HH2 ARG 49 1HH2 ARG 49 91.233 6.454 13.353 238 2HH2 ARG 49 2HH2 ARG 49 90.051 7.429 14.159 239 H VAL 50 HN VAL 50 86.629 4.539 8.934 240 HA VAL 50 HA VAL 50 84.398 4.088 8.875 241 HB VAL 50 HB VAL 50 84.475 7.080 9.208 242 1HG1 VAL 50 1HG1 VAL 50 82.192 5.758 8.616 243 2HG1 VAL 50 2HG1 VAL 50 82.263 7.161 9.680 244 3HG1 VAL 50 3HG1 VAL 50 82.246 5.535 10.363 245 1HG2 VAL 50 1HG2 VAL 50 85.755 5.729 10.818 246 2HG2 VAL 50 2HG2 VAL 50 84.277 4.856 11.222 247 3HG2 VAL 50 3HG2 VAL 50 84.401 6.583 11.560 248 HA PRO 51 HA PRO 51 81.827 6.070 5.399 249 1HB PRO 51 HB2 PRO 51 83.062 8.207 4.066 250 2HB PRO 51 HB1 PRO 51 81.715 8.321 5.200 251 1HG PRO 51 HG2 PRO 51 84.610 8.804 5.640 252 2HG PRO 51 HG1 PRO 51 83.208 9.576 6.397 253 1HD PRO 51 HD2 PRO 51 84.717 7.759 7.681 254 2HD PRO 51 HD1 PRO 51 82.972 7.905 7.961 255 HA PRO 52 HA PRO 52 83.784 4.203 1.905 256 1HB PRO 52 HB2 PRO 52 83.243 6.456 0.066 257 2HB PRO 52 HB1 PRO 52 82.696 4.779 -0.021 258 1HG PRO 52 HG2 PRO 52 81.010 6.752 0.626 259 2HG PRO 52 HG1 PRO 52 80.896 5.153 1.386 260 1HD PRO 52 HD2 PRO 52 82.064 7.689 2.470 261 2HD PRO 52 HD1 PRO 52 81.072 6.464 3.290 262 H GLU 53 HN GLU 53 85.942 4.324 2.579 263 HA GLU 53 HA GLU 53 87.607 6.021 1.016 264 1HB GLU 53 HB2 GLU 53 87.511 6.202 4.003 265 2HB GLU 53 HB1 GLU 53 88.929 6.690 3.086 266 1HG GLU 53 HG2 GLU 53 87.984 8.700 3.001 267 2HG GLU 53 HG1 GLU 53 86.915 8.007 1.789 268 H ILE 54 HN ILE 54 88.989 4.766 3.878 269 HA ILE 54 HA ILE 54 89.917 2.371 2.464 270 HB ILE 54 HB ILE 54 92.000 3.575 4.133 271 1HG1 ILE 54 2HG1 ILE 54 91.073 5.007 1.634 272 2HG1 ILE 54 1HG1 ILE 54 91.268 5.665 3.250 273 1HG2 ILE 54 1HG2 ILE 54 92.838 3.065 1.473 274 2HG2 ILE 54 2HG2 ILE 54 91.747 1.771 1.959 275 3HG2 ILE 54 3HG2 ILE 54 93.169 2.135 2.932 276 1HD1 ILE 54 1HD1 ILE 54 93.721 5.200 3.034 277 2HD1 ILE 54 2HD1 ILE 54 93.087 6.434 1.947 278 3HD1 ILE 54 3HD1 ILE 54 93.421 4.814 1.341 279 H LEU 55 HN LEU 55 88.285 3.345 5.074 280 HA LEU 55 HA LEU 55 89.470 2.364 7.325 281 1HB LEU 55 HB2 LEU 55 87.342 3.308 7.609 282 2HB LEU 55 HB1 LEU 55 86.614 2.231 6.433 283 HG LEU 55 HG LEU 55 87.758 0.853 8.762 284 1HD1 LEU 55 1HD1 LEU 55 85.357 2.629 9.131 285 2HD1 LEU 55 2HD1 LEU 55 86.936 2.868 9.875 286 3HD1 LEU 55 3HD1 LEU 55 85.971 1.455 10.289 287 1HD2 LEU 55 1HD2 LEU 55 85.136 0.776 7.287 288 2HD2 LEU 55 2HD2 LEU 55 85.527 -0.265 8.656 289 3HD2 LEU 55 3HD2 LEU 55 86.472 -0.369 7.170 290 H ALA 56 HN ALA 56 88.250 0.564 4.661 291 HA ALA 56 HA ALA 56 87.908 -1.967 5.634 292 1HB ALA 56 HB1 ALA 56 87.891 -2.639 3.482 293 2HB ALA 56 HB2 ALA 56 89.423 -1.850 3.113 294 3HB ALA 56 HB3 ALA 56 87.935 -0.905 3.159 295 H MET 57 HN MET 57 90.880 -0.230 5.189 296 HA MET 57 HA MET 57 92.700 -2.364 5.280 297 1HB MET 57 HB2 MET 57 92.901 0.544 6.014 298 2HB MET 57 HB1 MET 57 94.260 -0.545 6.246 299 1HG MET 57 HG2 MET 57 93.918 -1.149 3.770 300 2HG MET 57 HG1 MET 57 92.964 0.329 3.697 301 1HE MET 57 HE1 MET 57 96.268 -0.232 5.945 302 2HE MET 57 HE2 MET 57 97.454 0.071 4.675 303 3HE MET 57 HE3 MET 57 96.337 -1.286 4.532 304 H HIS 58 HN HIS 58 92.496 -3.883 6.834 305 HA HIS 58 HA HIS 58 91.740 -3.305 9.517 306 1HB HIS 58 HB2 HIS 58 92.326 -5.667 7.922 307 2HB HIS 58 HB1 HIS 58 92.981 -5.801 9.551 308 HD2 HIS 58 HD2 HIS 58 89.594 -5.805 7.698 309 HE1 HIS 58 HE1 HIS 58 88.876 -6.367 11.831 310 HE2 HIS 58 HE2 HIS 58 87.888 -6.554 9.503 311 H GLU 59 HN GLU 59 94.805 -3.716 7.861 312 HA GLU 59 HA GLU 59 96.430 -3.933 10.168 313 1HB GLU 59 HB2 GLU 59 96.821 -3.616 7.289 314 2HB GLU 59 HB1 GLU 59 98.046 -2.787 8.239 315 1HG GLU 59 HG2 GLU 59 98.215 -5.030 9.521 316 2HG GLU 59 HG1 GLU 59 97.414 -5.701 8.102 317 H ASN 60 HN ASN 60 95.771 -1.153 8.031 318 HA ASN 60 HA ASN 60 96.232 0.619 10.325 319 1HB ASN 60 HB2 ASN 60 98.184 0.363 8.531 320 2HB ASN 60 HB1 ASN 60 97.196 1.529 7.655 321 1HD2 ASN 60 1HD2 ASN 60 98.223 3.393 7.856 322 2HD2 ASN 60 2HD2 ASN 60 98.734 4.106 9.355 323 H VAL 61 HN VAL 61 94.099 1.145 10.570 324 HA VAL 61 HA VAL 61 92.416 1.843 8.356 325 HB VAL 61 HB VAL 61 90.757 2.462 10.060 326 1HG1 VAL 61 1HG1 VAL 61 90.627 0.208 9.534 327 2HG1 VAL 61 2HG1 VAL 61 90.792 0.183 11.290 328 3HG1 VAL 61 3HG1 VAL 61 92.188 -0.156 10.267 329 1HG2 VAL 61 1HG2 VAL 61 92.841 1.731 12.109 330 2HG2 VAL 61 2HG2 VAL 61 91.209 2.329 12.403 331 3HG2 VAL 61 3HG2 VAL 61 92.420 3.389 11.681 332 H LEU 62 HN LEU 62 91.492 3.886 7.921 333 HA LEU 62 HA LEU 62 91.321 6.166 7.874 334 1HB LEU 62 HB2 LEU 62 91.888 6.139 10.324 335 2HB LEU 62 HB1 LEU 62 93.572 6.316 9.871 336 HG LEU 62 HG LEU 62 92.235 8.378 8.523 337 1HD1 LEU 62 1HD1 LEU 62 91.104 9.570 10.339 338 2HD1 LEU 62 2HD1 LEU 62 91.310 8.165 11.383 339 3HD1 LEU 62 3HD1 LEU 62 90.295 8.053 9.945 340 1HD2 LEU 62 1HD2 LEU 62 94.517 8.143 9.807 341 2HD2 LEU 62 2HD2 LEU 62 93.594 8.865 11.125 342 3HD2 LEU 62 3HD2 LEU 62 93.752 9.717 9.589 343 H LYS 63 HN LYS 63 94.331 4.491 7.538 344 HA LYS 63 HA LYS 63 95.009 6.209 5.295 345 1HB LYS 63 HB2 LYS 63 96.677 5.911 7.762 346 2HB LYS 63 HB1 LYS 63 97.469 6.116 6.205 347 1HG LYS 63 HG2 LYS 63 95.313 8.030 6.837 348 2HG LYS 63 HG1 LYS 63 96.786 8.153 7.800 349 1HD LYS 63 HD2 LYS 63 97.010 7.923 4.836 350 2HD LYS 63 HD1 LYS 63 96.534 9.469 5.539 351 1HE LYS 63 HE2 LYS 63 98.633 9.910 6.115 352 2HE LYS 63 HE1 LYS 63 98.761 8.382 6.985 353 1HZ LYS 63 HZ1 LYS 63 99.704 9.089 4.345 354 2HZ LYS 63 HZ2 LYS 63 98.957 7.575 4.439 355 3HZ LYS 63 HZ3 LYS 63 100.284 7.925 5.428 Start of MODEL 4 1 H ARG 16 HN ARG 16 95.135 -7.196 -5.853 2 HA ARG 16 HA ARG 16 94.513 -6.509 -8.440 3 1HB ARG 16 HB2 ARG 16 94.327 -8.798 -9.514 4 2HB ARG 16 HB1 ARG 16 95.953 -8.149 -9.362 5 1HG ARG 16 HG2 ARG 16 95.900 -9.522 -7.102 6 2HG ARG 16 HG1 ARG 16 94.685 -10.449 -7.983 7 1HD ARG 16 HD2 ARG 16 96.856 -9.990 -9.744 8 2HD ARG 16 HD1 ARG 16 97.525 -10.545 -8.209 9 HE ARG 16 HE ARG 16 95.518 -12.293 -8.662 10 1HH1 ARG 16 1HH1 ARG 16 98.185 -11.187 -10.626 11 2HH1 ARG 16 2HH1 ARG 16 98.325 -12.679 -11.496 12 1HH2 ARG 16 1HH2 ARG 16 95.705 -14.256 -9.803 13 2HH2 ARG 16 2HH2 ARG 16 96.917 -14.419 -11.028 14 H GLU 17 HN GLU 17 93.950 -9.050 -6.034 15 HA GLU 17 HA GLU 17 91.180 -9.353 -6.690 16 1HB GLU 17 HB2 GLU 17 92.944 -10.351 -4.477 17 2HB GLU 17 HB1 GLU 17 91.203 -10.577 -4.399 18 1HG GLU 17 HG2 GLU 17 92.122 -11.381 -6.974 19 2HG GLU 17 HG1 GLU 17 93.116 -12.153 -5.739 20 H SER 18 HN SER 18 89.381 -8.858 -5.347 21 HA SER 18 HA SER 18 89.331 -6.216 -4.371 22 1HB SER 18 HB2 SER 18 87.451 -8.472 -4.577 23 2HB SER 18 HB1 SER 18 87.119 -7.376 -3.235 24 HG SER 18 HG SER 18 86.237 -6.168 -4.704 25 H LYS 19 HN LYS 19 89.803 -5.388 -2.375 26 HA LYS 19 HA LYS 19 89.793 -7.165 -0.079 27 1HB LYS 19 HB2 LYS 19 92.147 -6.717 -1.355 28 2HB LYS 19 HB1 LYS 19 92.152 -5.421 -0.165 29 1HG LYS 19 HG2 LYS 19 92.005 -8.381 0.335 30 2HG LYS 19 HG1 LYS 19 93.292 -7.262 0.793 31 1HD LYS 19 HD2 LYS 19 91.302 -6.077 2.070 32 2HD LYS 19 HD1 LYS 19 90.621 -7.703 2.023 33 1HE LYS 19 HE2 LYS 19 92.493 -8.605 3.188 34 2HE LYS 19 HE1 LYS 19 93.401 -7.103 3.017 35 1HZ LYS 19 HZ1 LYS 19 92.607 -7.086 5.194 36 2HZ LYS 19 HZ2 LYS 19 91.074 -7.649 4.755 37 3HZ LYS 19 HZ3 LYS 19 91.535 -6.070 4.369 38 H CYS 20 HN CYS 20 90.527 -3.908 -1.107 39 HA CYS 20 HA CYS 20 89.889 -2.709 1.392 40 1HB CYS 20 HB2 CYS 20 91.459 -1.691 -0.212 41 2HB CYS 20 HB1 CYS 20 90.118 -1.372 -1.303 42 HA PRO 21 HA PRO 21 85.802 -1.630 -1.235 43 1HB PRO 21 HB2 PRO 21 85.229 -4.539 -1.572 44 2HB PRO 21 HB1 PRO 21 84.774 -3.177 -2.605 45 1HG PRO 21 HG2 PRO 21 86.772 -4.771 -3.314 46 2HG PRO 21 HG1 PRO 21 86.898 -3.015 -3.549 47 1HD PRO 21 HD2 PRO 21 88.154 -4.749 -1.469 48 2HD PRO 21 HD1 PRO 21 88.818 -3.327 -2.297 49 H THR 22 HN THR 22 85.945 -1.206 1.167 50 HA THR 22 HA THR 22 84.656 -3.148 2.874 51 HB THR 22 HB THR 22 84.793 -0.815 4.309 52 HG1 THR 22 HG1 THR 22 85.810 0.386 2.791 53 1HG2 THR 22 1HG2 THR 22 86.044 -2.133 5.563 54 2HG2 THR 22 2HG2 THR 22 87.381 -1.924 4.431 55 3HG2 THR 22 3HG2 THR 22 86.240 -3.251 4.213 56 HA PRO 23 HA PRO 23 80.414 -1.891 3.032 57 1HB PRO 23 HB2 PRO 23 80.975 -0.337 5.530 58 2HB PRO 23 HB1 PRO 23 79.656 -1.462 5.182 59 1HG PRO 23 HG2 PRO 23 81.721 -2.233 6.666 60 2HG PRO 23 HG1 PRO 23 80.998 -3.335 5.480 61 1HD PRO 23 HD2 PRO 23 83.575 -1.855 5.365 62 2HD PRO 23 HD1 PRO 23 83.138 -3.422 4.655 63 H GLY 24 HN GLY 24 82.851 0.546 3.631 64 1HA GLY 24 HA2 GLY 24 81.082 2.656 2.642 65 2HA GLY 24 HA1 GLY 24 82.643 2.889 3.417 66 H CYS 25 HN CYS 25 84.550 1.946 2.118 67 HA CYS 25 HA CYS 25 84.878 3.316 -0.217 68 1HB CYS 25 HB2 CYS 25 86.708 2.100 1.060 69 2HB CYS 25 HB1 CYS 25 86.170 0.626 0.240 70 H ASP 26 HN ASP 26 85.044 2.668 -2.466 71 HA ASP 26 HA ASP 26 82.992 0.676 -3.167 72 1HB ASP 26 HB2 ASP 26 82.682 3.165 -3.734 73 2HB ASP 26 HB1 ASP 26 83.930 2.912 -4.948 74 H GLY 27 HN GLY 27 86.264 1.776 -3.766 75 1HA GLY 27 HA2 GLY 27 88.040 0.485 -4.575 76 2HA GLY 27 HA1 GLY 27 86.897 -0.750 -5.043 77 H THR 28 HN THR 28 87.464 2.595 -5.810 78 HA THR 28 HA THR 28 87.998 2.097 -8.536 79 HB THR 28 HB THR 28 85.317 2.833 -7.606 80 HG1 THR 28 HG1 THR 28 84.895 1.407 -9.063 81 1HG2 THR 28 1HG2 THR 28 84.892 4.126 -9.771 82 2HG2 THR 28 2HG2 THR 28 86.623 4.459 -9.745 83 3HG2 THR 28 3HG2 THR 28 85.603 4.984 -8.405 84 H GLY 29 HN GLY 29 89.366 3.628 -9.230 85 1HA GLY 29 HA2 GLY 29 90.243 5.768 -9.498 86 2HA GLY 29 HA1 GLY 29 89.172 6.348 -8.231 87 H HIS 30 HN HIS 30 91.670 3.831 -8.333 88 HA HIS 30 HA HIS 30 92.874 3.464 -6.138 89 1HB HIS 30 HB2 HIS 30 93.756 3.503 -8.599 90 2HB HIS 30 HB1 HIS 30 94.710 4.831 -8.025 91 HD2 HIS 30 HD2 HIS 30 94.279 0.989 -7.385 92 HE1 HIS 30 HE1 HIS 30 98.185 2.190 -6.314 93 HE2 HIS 30 HE2 HIS 30 96.665 0.218 -6.747 94 H VAL 31 HN VAL 31 95.122 4.569 -5.391 95 HA VAL 31 HA VAL 31 94.462 6.610 -3.626 96 HB VAL 31 HB VAL 31 96.487 5.199 -3.428 97 1HG1 VAL 31 1HG1 VAL 31 97.059 5.750 -5.946 98 2HG1 VAL 31 2HG1 VAL 31 98.315 5.351 -4.774 99 3HG1 VAL 31 3HG1 VAL 31 98.004 7.036 -5.195 100 1HG2 VAL 31 1HG2 VAL 31 97.961 7.533 -3.097 101 2HG2 VAL 31 2HG2 VAL 31 96.938 6.748 -1.895 102 3HG2 VAL 31 3HG2 VAL 31 96.280 8.033 -2.906 103 H THR 32 HN THR 32 95.745 6.978 -6.922 104 HA THR 32 HA THR 32 95.463 9.886 -6.586 105 HB THR 32 HB THR 32 97.129 10.178 -8.267 106 HG1 THR 32 HG1 THR 32 96.670 7.450 -8.767 107 1HG2 THR 32 1HG2 THR 32 99.024 9.417 -7.266 108 2HG2 THR 32 2HG2 THR 32 98.358 7.811 -6.977 109 3HG2 THR 32 3HG2 THR 32 97.875 9.162 -5.951 110 H GLY 33 HN GLY 33 94.060 7.163 -7.933 111 1HA GLY 33 HA2 GLY 33 92.253 6.945 -9.323 112 2HA GLY 33 HA1 GLY 33 92.252 8.695 -9.491 113 H LEU 34 HN LEU 34 95.272 7.370 -9.975 114 HA LEU 34 HA LEU 34 95.059 7.786 -12.845 115 1HB LEU 34 HB2 LEU 34 97.561 7.393 -11.229 116 2HB LEU 34 HB1 LEU 34 97.439 7.986 -12.880 117 HG LEU 34 HG LEU 34 96.120 9.412 -10.623 118 1HD1 LEU 34 1HD1 LEU 34 98.018 10.607 -10.066 119 2HD1 LEU 34 2HD1 LEU 34 98.814 10.262 -11.604 120 3HD1 LEU 34 3HD1 LEU 34 98.700 9.008 -10.368 121 1HD2 LEU 34 1HD2 LEU 34 96.967 11.265 -12.443 122 2HD2 LEU 34 2HD2 LEU 34 95.360 10.540 -12.401 123 3HD2 LEU 34 3HD2 LEU 34 96.598 9.879 -13.470 124 H TYR 35 HN TYR 35 94.654 5.428 -10.740 125 HA TYR 35 HA TYR 35 95.902 3.358 -12.402 126 1HB TYR 35 HB2 TYR 35 94.874 3.007 -9.603 127 2HB TYR 35 HB1 TYR 35 95.828 1.861 -10.517 128 HD1 TYR 35 HD1 TYR 35 96.144 5.442 -9.593 129 HD2 TYR 35 HD2 TYR 35 97.978 1.630 -9.660 130 HE1 TYR 35 HE1 TYR 35 98.167 6.407 -8.573 131 HE2 TYR 35 HE2 TYR 35 100.010 2.574 -8.664 132 HH TYR 35 HH TYR 35 100.669 5.800 -8.545 133 HA PRO 36 HA PRO 36 91.807 2.056 -13.447 134 1HB PRO 36 HB2 PRO 36 92.016 -0.614 -13.723 135 2HB PRO 36 HB1 PRO 36 92.792 0.504 -14.851 136 1HG PRO 36 HG2 PRO 36 93.984 -1.022 -12.574 137 2HG PRO 36 HG1 PRO 36 94.652 -0.705 -14.185 138 1HD PRO 36 HD2 PRO 36 95.339 0.694 -11.920 139 2HD PRO 36 HD1 PRO 36 95.473 1.338 -13.567 140 H HIS 37 HN HIS 37 92.010 2.588 -10.719 141 HA HIS 37 HA HIS 37 90.549 2.308 -8.948 142 1HB HIS 37 HB2 HIS 37 90.099 -0.584 -9.625 143 2HB HIS 37 HB1 HIS 37 89.081 0.504 -8.699 144 HD2 HIS 37 HD2 HIS 37 88.812 2.856 -11.005 145 HE1 HIS 37 HE1 HIS 37 87.168 -0.308 -13.284 146 HE2 HIS 37 HE2 HIS 37 87.267 2.208 -12.985 147 H HIS 38 HN HIS 38 90.541 0.447 -7.105 148 HA HIS 38 HA HIS 38 93.290 -0.548 -6.903 149 1HB HIS 38 HB2 HIS 38 93.517 0.251 -4.601 150 2HB HIS 38 HB1 HIS 38 93.283 1.583 -5.723 151 HD1 HIS 38 HD1 HIS 38 91.053 2.909 -5.534 152 HD2 HIS 38 HD2 HIS 38 91.563 -0.092 -2.721 153 HE1 HIS 38 HE1 HIS 38 89.250 3.271 -3.777 154 H ARG 39 HN ARG 39 90.157 -0.536 -5.189 155 HA ARG 39 HA ARG 39 89.200 -2.176 -3.881 156 1HB ARG 39 HB2 ARG 39 89.979 -4.024 -6.125 157 2HB ARG 39 HB1 ARG 39 88.518 -4.047 -5.147 158 1HG ARG 39 HG2 ARG 39 88.077 -1.727 -6.227 159 2HG ARG 39 HG1 ARG 39 89.230 -2.281 -7.440 160 1HD ARG 39 HD2 ARG 39 87.143 -2.917 -8.283 161 2HD ARG 39 HD1 ARG 39 87.804 -4.390 -7.579 162 HE ARG 39 HE ARG 39 86.127 -2.873 -5.793 163 1HH1 ARG 39 1HH1 ARG 39 86.210 -5.347 -8.254 164 2HH1 ARG 39 2HH1 ARG 39 84.727 -6.080 -7.741 165 1HH2 ARG 39 1HH2 ARG 39 84.180 -3.839 -5.117 166 2HH2 ARG 39 2HH2 ARG 39 83.576 -5.225 -5.960 167 H SER 40 HN SER 40 91.989 -1.770 -3.318 168 HA SER 40 HA SER 40 92.559 -4.381 -2.149 169 1HB SER 40 HB2 SER 40 94.983 -4.135 -2.808 170 2HB SER 40 HB1 SER 40 93.880 -4.476 -4.142 171 HG SER 40 HG SER 40 93.853 -2.086 -4.393 172 H LEU 41 HN LEU 41 94.291 -1.245 -2.439 173 HA LEU 41 HA LEU 41 93.846 -0.049 -0.076 174 1HB LEU 41 HB2 LEU 41 95.782 -0.934 1.360 175 2HB LEU 41 HB1 LEU 41 94.301 -1.874 1.311 176 HG LEU 41 HG LEU 41 95.806 -2.926 -0.768 177 1HD1 LEU 41 1HD1 LEU 41 97.894 -2.172 -0.339 178 2HD1 LEU 41 2HD1 LEU 41 97.884 -3.529 0.787 179 3HD1 LEU 41 3HD1 LEU 41 97.566 -1.896 1.372 180 1HD2 LEU 41 1HD2 LEU 41 94.788 -4.579 0.362 181 2HD2 LEU 41 2HD2 LEU 41 94.903 -3.733 1.905 182 3HD2 LEU 41 3HD2 LEU 41 96.284 -4.644 1.296 183 H SER 42 HN SER 42 96.711 -1.436 -1.660 184 HA SER 42 HA SER 42 98.609 0.445 -1.254 185 1HB SER 42 HB2 SER 42 99.425 -0.083 -3.608 186 2HB SER 42 HB1 SER 42 99.190 -1.466 -2.541 187 HG SER 42 HG SER 42 98.291 -1.608 -4.750 188 H GLY 43 HN GLY 43 95.779 0.761 -3.260 189 1HA GLY 43 HA2 GLY 43 96.677 3.383 -4.187 190 2HA GLY 43 HA1 GLY 43 95.322 2.466 -4.834 191 H CYS 44 HN CYS 44 93.368 2.851 -4.124 192 HA CYS 44 HA CYS 44 91.659 3.970 -3.025 193 1HB CYS 44 HB2 CYS 44 92.632 2.227 -1.324 194 2HB CYS 44 HB1 CYS 44 93.220 3.653 -0.480 195 HA PRO 45 HA PRO 45 93.546 8.103 -2.451 196 1HB PRO 45 HB2 PRO 45 91.901 9.488 -3.935 197 2HB PRO 45 HB1 PRO 45 92.888 8.251 -4.725 198 1HG PRO 45 HG2 PRO 45 90.026 8.093 -3.839 199 2HG PRO 45 HG1 PRO 45 90.730 7.608 -5.387 200 1HD PRO 45 HD2 PRO 45 90.249 5.894 -3.249 201 2HD PRO 45 HD1 PRO 45 91.400 5.569 -4.560 202 H HIS 46 HN HIS 46 90.749 6.789 -1.192 203 HA HIS 46 HA HIS 46 89.352 9.120 -0.426 204 1HB HIS 46 HB2 HIS 46 89.195 6.426 0.906 205 2HB HIS 46 HB1 HIS 46 87.957 7.673 0.842 206 HD2 HIS 46 HD2 HIS 46 88.571 4.420 -0.720 207 HE1 HIS 46 HE1 HIS 46 86.490 6.620 -3.644 208 HE2 HIS 46 HE2 HIS 46 87.381 4.349 -3.008 209 H LYS 47 HN LYS 47 90.642 6.826 1.982 210 HA LYS 47 HA LYS 47 91.536 7.142 4.027 211 1HB LYS 47 HB2 LYS 47 93.520 8.402 4.162 212 2HB LYS 47 HB1 LYS 47 93.443 7.841 2.503 213 1HG LYS 47 HG2 LYS 47 93.608 9.916 1.754 214 2HG LYS 47 HG1 LYS 47 92.195 10.408 2.684 215 1HD LYS 47 HD2 LYS 47 93.435 11.272 4.374 216 2HD LYS 47 HD1 LYS 47 94.703 10.057 4.200 217 1HE LYS 47 HE2 LYS 47 95.772 11.982 3.495 218 2HE LYS 47 HE1 LYS 47 95.221 11.281 1.975 219 1HZ LYS 47 HZ1 LYS 47 94.814 13.741 2.323 220 2HZ LYS 47 HZ2 LYS 47 93.620 13.294 3.433 221 3HZ LYS 47 HZ3 LYS 47 93.487 12.821 1.815 222 H ASP 48 HN ASP 48 89.175 7.851 4.336 223 HA ASP 48 HA ASP 48 89.183 10.578 5.474 224 1HB ASP 48 HB2 ASP 48 87.351 9.334 3.675 225 2HB ASP 48 HB1 ASP 48 86.520 9.616 5.201 226 H ARG 49 HN ARG 49 89.268 7.354 6.237 227 HA ARG 49 HA ARG 49 88.775 6.103 8.090 228 1HB ARG 49 HB2 ARG 49 89.420 7.072 10.191 229 2HB ARG 49 HB1 ARG 49 90.508 7.641 8.938 230 1HG ARG 49 HG2 ARG 49 89.513 9.793 8.922 231 2HG ARG 49 HG1 ARG 49 88.173 9.251 9.928 232 1HD ARG 49 HD2 ARG 49 90.586 8.667 11.304 233 2HD ARG 49 HD1 ARG 49 90.674 10.333 10.731 234 HE ARG 49 HE ARG 49 88.245 9.512 12.124 235 1HH1 ARG 49 1HH1 ARG 49 91.298 11.213 12.236 236 2HH1 ARG 49 2HH1 ARG 49 90.862 12.150 13.622 237 1HH2 ARG 49 1HH2 ARG 49 87.682 10.747 13.952 238 2HH2 ARG 49 2HH2 ARG 49 88.815 11.888 14.595 239 H VAL 50 HN VAL 50 86.798 5.351 8.235 240 HA VAL 50 HA VAL 50 84.853 5.101 9.518 241 HB VAL 50 HB VAL 50 84.612 8.122 9.515 242 1HG1 VAL 50 1HG1 VAL 50 82.679 5.997 10.063 243 2HG1 VAL 50 2HG1 VAL 50 82.423 7.701 9.688 244 3HG1 VAL 50 3HG1 VAL 50 82.820 7.210 11.335 245 1HG2 VAL 50 1HG2 VAL 50 85.125 8.037 11.815 246 2HG2 VAL 50 2HG2 VAL 50 86.336 7.040 11.016 247 3HG2 VAL 50 3HG2 VAL 50 84.988 6.279 11.856 248 HA PRO 51 HA PRO 51 81.859 6.734 6.120 249 1HB PRO 51 HB2 PRO 51 82.982 8.598 4.380 250 2HB PRO 51 HB1 PRO 51 81.870 8.981 5.694 251 1HG PRO 51 HG2 PRO 51 84.838 9.159 5.598 252 2HG PRO 51 HG1 PRO 51 83.677 10.248 6.367 253 1HD PRO 51 HD2 PRO 51 85.112 8.512 7.795 254 2HD PRO 51 HD1 PRO 51 83.426 8.880 8.214 255 HA PRO 52 HA PRO 52 83.471 4.344 2.737 256 1HB PRO 52 HB2 PRO 52 82.860 6.348 0.652 257 2HB PRO 52 HB1 PRO 52 82.224 4.716 0.851 258 1HG PRO 52 HG2 PRO 52 80.696 6.838 1.339 259 2HG PRO 52 HG1 PRO 52 80.595 5.391 2.363 260 1HD PRO 52 HD2 PRO 52 82.025 7.977 2.876 261 2HD PRO 52 HD1 PRO 52 81.011 7.020 3.978 262 H GLU 53 HN GLU 53 85.711 4.219 2.842 263 HA GLU 53 HA GLU 53 87.171 5.837 1.037 264 1HB GLU 53 HB2 GLU 53 88.820 6.464 2.965 265 2HB GLU 53 HB1 GLU 53 87.400 7.449 2.649 266 1HG GLU 53 HG2 GLU 53 86.811 5.300 4.479 267 2HG GLU 53 HG1 GLU 53 88.129 6.311 5.062 268 H ILE 54 HN ILE 54 88.961 4.713 3.696 269 HA ILE 54 HA ILE 54 89.778 2.311 2.179 270 HB ILE 54 HB ILE 54 91.758 3.338 4.096 271 1HG1 ILE 54 2HG1 ILE 54 91.114 4.953 1.614 272 2HG1 ILE 54 1HG1 ILE 54 91.019 5.491 3.284 273 1HG2 ILE 54 1HG2 ILE 54 92.968 3.048 1.642 274 2HG2 ILE 54 2HG2 ILE 54 91.652 1.880 1.586 275 3HG2 ILE 54 3HG2 ILE 54 92.832 1.810 2.890 276 1HD1 ILE 54 1HD1 ILE 54 93.296 5.679 3.493 277 2HD1 ILE 54 2HD1 ILE 54 93.044 6.148 1.813 278 3HD1 ILE 54 3HD1 ILE 54 93.619 4.529 2.198 279 H LEU 55 HN LEU 55 88.367 3.516 4.943 280 HA LEU 55 HA LEU 55 87.994 2.732 7.068 281 1HB LEU 55 HB2 LEU 55 87.292 0.775 5.091 282 2HB LEU 55 HB1 LEU 55 87.777 -0.036 6.567 283 HG LEU 55 HG LEU 55 86.114 1.821 7.598 284 1HD1 LEU 55 1HD1 LEU 55 84.324 2.352 6.241 285 2HD1 LEU 55 2HD1 LEU 55 84.668 1.052 5.099 286 3HD1 LEU 55 3HD1 LEU 55 85.685 2.494 5.126 287 1HD2 LEU 55 1HD2 LEU 55 84.847 0.040 8.164 288 2HD2 LEU 55 2HD2 LEU 55 86.184 -0.865 7.456 289 3HD2 LEU 55 3HD2 LEU 55 84.736 -0.545 6.504 290 H ALA 56 HN ALA 56 90.873 2.746 6.276 291 HA ALA 56 HA ALA 56 92.848 2.222 7.272 292 1HB ALA 56 HB1 ALA 56 91.861 0.383 9.303 293 2HB ALA 56 HB2 ALA 56 91.028 1.937 9.301 294 3HB ALA 56 HB3 ALA 56 92.781 1.877 9.474 295 H MET 57 HN MET 57 90.649 -0.306 6.394 296 HA MET 57 HA MET 57 90.958 -2.295 5.380 297 1HB MET 57 HB2 MET 57 93.552 -0.957 4.953 298 2HB MET 57 HB1 MET 57 93.581 -2.709 4.818 299 1HG MET 57 HG2 MET 57 91.466 -1.194 3.385 300 2HG MET 57 HG1 MET 57 93.107 -1.190 2.742 301 1HE MET 57 HE1 MET 57 90.875 -3.988 4.540 302 2HE MET 57 HE2 MET 57 90.291 -4.803 3.092 303 3HE MET 57 HE3 MET 57 89.869 -3.116 3.384 304 H HIS 58 HN HIS 58 94.154 -2.212 6.913 305 HA HIS 58 HA HIS 58 93.567 -4.714 8.243 306 1HB HIS 58 HB2 HIS 58 95.939 -4.547 9.018 307 2HB HIS 58 HB1 HIS 58 95.757 -4.488 7.268 308 HD2 HIS 58 HD2 HIS 58 97.255 -2.467 10.127 309 HE1 HIS 58 HE1 HIS 58 97.358 -0.046 6.659 310 HE2 HIS 58 HE2 HIS 58 98.289 -0.377 8.993 311 H GLU 59 HN GLU 59 94.410 -1.404 9.202 312 HA GLU 59 HA GLU 59 94.092 -1.956 12.003 313 1HB GLU 59 HB2 GLU 59 94.762 0.415 10.337 314 2HB GLU 59 HB1 GLU 59 94.095 0.722 11.933 315 1HG GLU 59 HG2 GLU 59 96.187 -1.281 11.992 316 2HG GLU 59 HG1 GLU 59 96.741 0.248 11.314 317 H ASN 60 HN ASN 60 92.678 0.141 13.024 318 HA ASN 60 HA ASN 60 89.963 -0.393 12.015 319 1HB ASN 60 HB2 ASN 60 90.929 -0.871 14.522 320 2HB ASN 60 HB1 ASN 60 90.227 0.732 14.726 321 1HD2 ASN 60 1HD2 ASN 60 89.607 -2.608 14.029 322 2HD2 ASN 60 2HD2 ASN 60 87.881 -2.537 14.208 323 H VAL 61 HN VAL 61 89.474 1.247 10.679 324 HA VAL 61 HA VAL 61 88.815 3.329 10.032 325 HB VAL 61 HB VAL 61 89.344 4.315 12.827 326 1HG1 VAL 61 1HG1 VAL 61 87.071 5.505 11.896 327 2HG1 VAL 61 2HG1 VAL 61 88.036 5.351 10.428 328 3HG1 VAL 61 3HG1 VAL 61 88.687 6.205 11.827 329 1HG2 VAL 61 1HG2 VAL 61 87.013 2.729 11.782 330 2HG2 VAL 61 2HG2 VAL 61 86.887 3.776 13.194 331 3HG2 VAL 61 3HG2 VAL 61 88.004 2.414 13.206 332 H LEU 62 HN LEU 62 89.958 4.698 8.832 333 HA LEU 62 HA LEU 62 91.579 6.149 8.156 334 1HB LEU 62 HB2 LEU 62 91.494 7.010 10.525 335 2HB LEU 62 HB1 LEU 62 92.808 5.919 10.902 336 HG LEU 62 HG LEU 62 94.119 7.111 9.054 337 1HD1 LEU 62 1HD1 LEU 62 91.869 9.073 9.437 338 2HD1 LEU 62 2HD1 LEU 62 92.317 8.245 7.947 339 3HD1 LEU 62 3HD1 LEU 62 93.402 9.445 8.650 340 1HD2 LEU 62 1HD2 LEU 62 94.676 7.406 11.367 341 2HD2 LEU 62 2HD2 LEU 62 93.334 8.529 11.594 342 3HD2 LEU 62 3HD2 LEU 62 94.702 8.985 10.578 343 H LYS 63 HN LYS 63 93.572 4.346 10.472 344 HA LYS 63 HA LYS 63 94.518 2.386 8.721 345 1HB LYS 63 HB2 LYS 63 95.530 4.920 8.073 346 2HB LYS 63 HB1 LYS 63 96.836 4.107 8.924 347 1HG LYS 63 HG2 LYS 63 96.947 2.384 7.346 348 2HG LYS 63 HG1 LYS 63 95.365 2.782 6.674 349 1HD LYS 63 HD2 LYS 63 96.898 3.598 5.099 350 2HD LYS 63 HD1 LYS 63 96.403 5.022 6.016 351 1HE LYS 63 HE2 LYS 63 98.769 5.130 5.758 352 2HE LYS 63 HE1 LYS 63 98.439 4.709 7.438 353 1HZ LYS 63 HZ1 LYS 63 98.759 2.440 5.678 354 2HZ LYS 63 HZ2 LYS 63 99.418 2.725 7.210 355 3HZ LYS 63 HZ3 LYS 63 100.149 3.394 5.839 Start of MODEL 5 1 H ARG 16 HN ARG 16 94.577 -10.242 -2.823 2 HA ARG 16 HA ARG 16 93.678 -12.038 -3.889 3 1HB ARG 16 HB2 ARG 16 96.136 -13.119 -2.672 4 2HB ARG 16 HB1 ARG 16 94.915 -14.322 -3.067 5 1HG ARG 16 HG2 ARG 16 95.535 -14.273 -5.187 6 2HG ARG 16 HG1 ARG 16 95.143 -12.556 -5.275 7 1HD ARG 16 HD2 ARG 16 97.315 -12.218 -5.646 8 2HD ARG 16 HD1 ARG 16 97.558 -12.594 -3.940 9 HE ARG 16 HE ARG 16 97.585 -15.028 -5.107 10 1HH1 ARG 16 1HH1 ARG 16 99.302 -12.061 -5.764 11 2HH1 ARG 16 2HH1 ARG 16 100.702 -12.863 -6.393 12 1HH2 ARG 16 1HH2 ARG 16 99.426 -16.085 -5.933 13 2HH2 ARG 16 2HH2 ARG 16 100.772 -15.148 -6.489 14 H GLU 17 HN GLU 17 92.741 -11.146 -1.243 15 HA GLU 17 HA GLU 17 91.029 -13.426 -0.687 16 1HB GLU 17 HB2 GLU 17 92.764 -12.134 1.423 17 2HB GLU 17 HB1 GLU 17 91.396 -13.177 1.785 18 1HG GLU 17 HG2 GLU 17 92.554 -14.943 0.388 19 2HG GLU 17 HG1 GLU 17 93.974 -13.897 0.429 20 H SER 18 HN SER 18 91.690 -10.517 1.232 21 HA SER 18 HA SER 18 88.924 -9.640 0.719 22 1HB SER 18 HB2 SER 18 90.659 -9.616 3.112 23 2HB SER 18 HB1 SER 18 89.719 -8.147 2.856 24 HG SER 18 HG SER 18 87.868 -9.602 2.623 25 H LYS 19 HN LYS 19 88.583 -7.724 -0.296 26 HA LYS 19 HA LYS 19 90.944 -6.201 -1.060 27 1HB LYS 19 HB2 LYS 19 88.154 -5.811 -2.117 28 2HB LYS 19 HB1 LYS 19 89.669 -5.320 -2.857 29 1HG LYS 19 HG2 LYS 19 89.202 -8.217 -2.375 30 2HG LYS 19 HG1 LYS 19 88.338 -7.429 -3.695 31 1HD LYS 19 HD2 LYS 19 90.478 -6.654 -4.616 32 2HD LYS 19 HD1 LYS 19 91.331 -7.467 -3.303 33 1HE LYS 19 HE2 LYS 19 89.484 -9.225 -4.697 34 2HE LYS 19 HE1 LYS 19 90.705 -8.542 -5.769 35 1HZ LYS 19 HZ1 LYS 19 91.835 -10.334 -5.003 36 2HZ LYS 19 HZ2 LYS 19 91.025 -10.376 -3.520 37 3HZ LYS 19 HZ3 LYS 19 92.257 -9.246 -3.777 38 H CYS 20 HN CYS 20 89.934 -3.778 -1.625 39 HA CYS 20 HA CYS 20 89.586 -2.632 1.020 40 1HB CYS 20 HB2 CYS 20 91.244 -1.664 -0.542 41 2HB CYS 20 HB1 CYS 20 89.930 -1.232 -1.635 42 HA PRO 21 HA PRO 21 85.752 -0.867 -1.621 43 1HB PRO 21 HB2 PRO 21 85.117 -3.567 -2.721 44 2HB PRO 21 HB1 PRO 21 84.814 -1.971 -3.420 45 1HG PRO 21 HG2 PRO 21 86.822 -3.484 -4.300 46 2HG PRO 21 HG1 PRO 21 86.999 -1.727 -4.148 47 1HD PRO 21 HD2 PRO 21 88.108 -3.895 -2.447 48 2HD PRO 21 HD1 PRO 21 88.779 -2.297 -2.819 49 H THR 22 HN THR 22 85.607 -1.022 0.798 50 HA THR 22 HA THR 22 84.006 -3.272 1.745 51 HB THR 22 HB THR 22 86.001 -1.885 2.927 52 HG1 THR 22 HG1 THR 22 85.251 -2.833 4.869 53 1HG2 THR 22 1HG2 THR 22 85.297 -0.419 4.598 54 2HG2 THR 22 2HG2 THR 22 83.593 -0.790 4.332 55 3HG2 THR 22 3HG2 THR 22 84.491 0.139 3.132 56 HA PRO 23 HA PRO 23 79.906 -1.621 2.056 57 1HB PRO 23 HB2 PRO 23 80.491 -0.649 4.836 58 2HB PRO 23 HB1 PRO 23 79.047 -1.461 4.214 59 1HG PRO 23 HG2 PRO 23 80.869 -2.832 5.577 60 2HG PRO 23 HG1 PRO 23 80.080 -3.542 4.156 61 1HD PRO 23 HD2 PRO 23 82.846 -2.525 4.472 62 2HD PRO 23 HD1 PRO 23 82.227 -3.784 3.387 63 H GLY 24 HN GLY 24 82.513 0.421 3.209 64 1HA GLY 24 HA2 GLY 24 81.014 2.844 2.591 65 2HA GLY 24 HA1 GLY 24 82.584 2.765 3.373 66 H CYS 25 HN CYS 25 84.421 1.998 1.950 67 HA CYS 25 HA CYS 25 84.855 3.691 -0.145 68 1HB CYS 25 HB2 CYS 25 86.631 2.263 0.906 69 2HB CYS 25 HB1 CYS 25 85.992 0.890 -0.003 70 H ASP 26 HN ASP 26 85.043 3.358 -2.491 71 HA ASP 26 HA ASP 26 82.794 1.736 -3.465 72 1HB ASP 26 HB2 ASP 26 82.891 4.234 -3.902 73 2HB ASP 26 HB1 ASP 26 84.264 3.910 -4.955 74 H GLY 27 HN GLY 27 86.224 2.391 -3.959 75 1HA GLY 27 HA2 GLY 27 87.835 0.889 -4.754 76 2HA GLY 27 HA1 GLY 27 86.550 -0.198 -5.232 77 H THR 28 HN THR 28 86.902 3.148 -5.961 78 HA THR 28 HA THR 28 87.743 2.747 -8.626 79 HB THR 28 HB THR 28 84.920 3.049 -7.909 80 HG1 THR 28 HG1 THR 28 85.498 1.356 -9.171 81 1HG2 THR 28 1HG2 THR 28 86.076 4.938 -9.911 82 2HG2 THR 28 2HG2 THR 28 84.867 5.228 -8.657 83 3HG2 THR 28 3HG2 THR 28 84.444 4.296 -10.095 84 H GLY 29 HN GLY 29 89.271 3.969 -7.107 85 1HA GLY 29 HA2 GLY 29 89.484 6.622 -7.952 86 2HA GLY 29 HA1 GLY 29 88.736 6.631 -6.358 87 H HIS 30 HN HIS 30 91.352 4.839 -7.947 88 HA HIS 30 HA HIS 30 92.935 4.121 -5.916 89 1HB HIS 30 HB2 HIS 30 93.236 4.139 -8.515 90 2HB HIS 30 HB1 HIS 30 94.338 5.435 -8.182 91 HD2 HIS 30 HD2 HIS 30 93.988 1.604 -7.769 92 HE1 HIS 30 HE1 HIS 30 97.949 2.708 -6.807 93 HE2 HIS 30 HE2 HIS 30 96.411 0.790 -7.382 94 H VAL 31 HN VAL 31 95.149 5.044 -5.417 95 HA VAL 31 HA VAL 31 94.891 7.081 -3.634 96 HB VAL 31 HB VAL 31 96.804 5.557 -3.658 97 1HG1 VAL 31 1HG1 VAL 31 98.252 5.351 -5.349 98 2HG1 VAL 31 2HG1 VAL 31 98.419 7.096 -5.539 99 3HG1 VAL 31 3HG1 VAL 31 97.069 6.251 -6.299 100 1HG2 VAL 31 1HG2 VAL 31 98.439 7.080 -2.841 101 2HG2 VAL 31 2HG2 VAL 31 96.859 7.760 -2.452 102 3HG2 VAL 31 3HG2 VAL 31 97.784 8.402 -3.809 103 H THR 32 HN THR 32 95.640 7.464 -7.084 104 HA THR 32 HA THR 32 95.589 10.370 -6.650 105 HB THR 32 HB THR 32 97.198 10.676 -8.354 106 HG1 THR 32 HG1 THR 32 97.933 8.675 -9.508 107 1HG2 THR 32 1HG2 THR 32 99.109 9.686 -7.576 108 2HG2 THR 32 2HG2 THR 32 98.316 8.137 -7.281 109 3HG2 THR 32 3HG2 THR 32 98.038 9.495 -6.187 110 H GLY 33 HN GLY 33 93.908 7.790 -7.836 111 1HA GLY 33 HA2 GLY 33 92.076 7.623 -9.189 112 2HA GLY 33 HA1 GLY 33 92.091 9.378 -9.277 113 H LEU 34 HN LEU 34 95.019 7.907 -10.005 114 HA LEU 34 HA LEU 34 94.658 8.500 -12.841 115 1HB LEU 34 HB2 LEU 34 97.220 8.016 -11.341 116 2HB LEU 34 HB1 LEU 34 97.065 8.573 -13.002 117 HG LEU 34 HG LEU 34 95.921 10.071 -10.690 118 1HD1 LEU 34 1HD1 LEU 34 97.900 10.992 -10.161 119 2HD1 LEU 34 2HD1 LEU 34 98.339 11.211 -11.854 120 3HD1 LEU 34 3HD1 LEU 34 98.630 9.664 -11.061 121 1HD2 LEU 34 1HD2 LEU 34 96.479 11.909 -12.571 122 2HD2 LEU 34 2HD2 LEU 34 94.938 11.056 -12.463 123 3HD2 LEU 34 3HD2 LEU 34 96.175 10.503 -13.594 124 H TYR 35 HN TYR 35 94.168 6.119 -10.880 125 HA TYR 35 HA TYR 35 95.253 4.053 -12.654 126 1HB TYR 35 HB2 TYR 35 94.378 3.580 -9.825 127 2HB TYR 35 HB1 TYR 35 95.294 2.493 -10.853 128 HD1 TYR 35 HD1 TYR 35 95.628 5.999 -9.708 129 HD2 TYR 35 HD2 TYR 35 97.492 2.230 -10.136 130 HE1 TYR 35 HE1 TYR 35 97.680 6.916 -8.704 131 HE2 TYR 35 HE2 TYR 35 99.559 3.122 -9.162 132 HH TYR 35 HH TYR 35 100.286 4.925 -7.736 133 HA PRO 36 HA PRO 36 91.046 2.998 -13.518 134 1HB PRO 36 HB2 PRO 36 91.621 0.153 -13.684 135 2HB PRO 36 HB1 PRO 36 91.295 1.288 -14.994 136 1HG PRO 36 HG2 PRO 36 93.732 0.137 -14.570 137 2HG PRO 36 HG1 PRO 36 93.517 1.715 -15.346 138 1HD PRO 36 HD2 PRO 36 94.304 1.079 -12.529 139 2HD PRO 36 HD1 PRO 36 94.907 2.355 -13.608 140 H HIS 37 HN HIS 37 91.427 3.368 -10.805 141 HA HIS 37 HA HIS 37 90.117 2.968 -8.944 142 1HB HIS 37 HB2 HIS 37 89.651 0.122 -9.800 143 2HB HIS 37 HB1 HIS 37 88.716 1.102 -8.686 144 HD2 HIS 37 HD2 HIS 37 88.024 3.623 -10.598 145 HE1 HIS 37 HE1 HIS 37 86.505 0.672 -13.223 146 HE2 HIS 37 HE2 HIS 37 86.645 3.157 -12.743 147 H HIS 38 HN HIS 38 90.272 0.939 -7.255 148 HA HIS 38 HA HIS 38 93.076 0.043 -7.348 149 1HB HIS 38 HB2 HIS 38 93.282 0.449 -4.890 150 2HB HIS 38 HB1 HIS 38 93.172 1.905 -5.865 151 HD1 HIS 38 HD1 HIS 38 91.086 3.386 -5.545 152 HD2 HIS 38 HD2 HIS 38 91.178 -0.025 -3.181 153 HE1 HIS 38 HE1 HIS 38 89.261 3.678 -3.813 154 H ARG 39 HN ARG 39 93.328 -2.006 -7.087 155 HA ARG 39 HA ARG 39 91.264 -3.818 -6.835 156 1HB ARG 39 HB2 ARG 39 94.036 -3.921 -7.220 157 2HB ARG 39 HB1 ARG 39 93.733 -4.923 -5.808 158 1HG ARG 39 HG2 ARG 39 92.692 -6.517 -6.998 159 2HG ARG 39 HG1 ARG 39 91.905 -5.357 -8.068 160 1HD ARG 39 HD2 ARG 39 94.844 -5.654 -8.304 161 2HD ARG 39 HD1 ARG 39 93.849 -6.986 -8.888 162 HE ARG 39 HE ARG 39 94.122 -4.374 -10.065 163 1HH1 ARG 39 1HH1 ARG 39 92.102 -7.208 -9.804 164 2HH1 ARG 39 2HH1 ARG 39 91.292 -6.923 -11.308 165 1HH2 ARG 39 1HH2 ARG 39 93.058 -3.998 -12.044 166 2HH2 ARG 39 2HH2 ARG 39 91.835 -5.101 -12.579 167 H SER 40 HN SER 40 93.267 -2.371 -4.315 168 HA SER 40 HA SER 40 91.456 -2.611 -2.278 169 1HB SER 40 HB2 SER 40 92.388 -4.570 -0.982 170 2HB SER 40 HB1 SER 40 91.463 -4.991 -2.419 171 HG SER 40 HG SER 40 93.376 -5.375 -3.512 172 H LEU 41 HN LEU 41 92.560 -0.590 -1.942 173 HA LEU 41 HA LEU 41 93.865 0.720 -0.630 174 1HB LEU 41 HB2 LEU 41 95.342 -1.709 0.327 175 2HB LEU 41 HB1 LEU 41 95.103 -0.180 1.154 176 HG LEU 41 HG LEU 41 92.800 -1.994 0.508 177 1HD1 LEU 41 1HD1 LEU 41 93.868 -3.479 1.852 178 2HD1 LEU 41 2HD1 LEU 41 93.149 -2.469 3.106 179 3HD1 LEU 41 3HD1 LEU 41 94.836 -2.238 2.644 180 1HD2 LEU 41 1HD2 LEU 41 92.466 0.422 1.119 181 2HD2 LEU 41 2HD2 LEU 41 93.100 0.022 2.710 182 3HD2 LEU 41 3HD2 LEU 41 91.630 -0.752 2.130 183 H SER 42 HN SER 42 95.058 -1.251 -3.078 184 HA SER 42 HA SER 42 97.801 -0.812 -3.046 185 1HB SER 42 HB2 SER 42 97.495 -0.769 -5.637 186 2HB SER 42 HB1 SER 42 97.072 -2.237 -4.757 187 HG SER 42 HG SER 42 95.008 -1.904 -5.161 188 H GLY 43 HN GLY 43 95.160 1.310 -3.654 189 1HA GLY 43 HA2 GLY 43 97.002 3.571 -3.973 190 2HA GLY 43 HA1 GLY 43 95.596 3.413 -5.002 191 H CYS 44 HN CYS 44 93.535 3.293 -3.990 192 HA CYS 44 HA CYS 44 91.986 4.646 -2.820 193 1HB CYS 44 HB2 CYS 44 92.377 2.299 -1.799 194 2HB CYS 44 HB1 CYS 44 93.141 3.171 -0.477 195 HA PRO 45 HA PRO 45 94.353 7.857 -0.491 196 1HB PRO 45 HB2 PRO 45 94.040 9.879 -2.108 197 2HB PRO 45 HB1 PRO 45 95.012 8.512 -2.674 198 1HG PRO 45 HG2 PRO 45 92.191 9.247 -3.357 199 2HG PRO 45 HG1 PRO 45 93.445 8.575 -4.402 200 1HD PRO 45 HD2 PRO 45 91.407 7.140 -3.016 201 2HD PRO 45 HD1 PRO 45 92.759 6.447 -3.921 202 H HIS 46 HN HIS 46 91.122 7.305 -1.128 203 HA HIS 46 HA HIS 46 89.620 9.479 -0.876 204 1HB HIS 46 HB2 HIS 46 89.300 6.915 0.680 205 2HB HIS 46 HB1 HIS 46 88.062 8.156 0.590 206 HD2 HIS 46 HD2 HIS 46 88.796 4.947 -1.023 207 HE1 HIS 46 HE1 HIS 46 86.686 7.161 -3.916 208 HE2 HIS 46 HE2 HIS 46 87.643 4.900 -3.331 209 H LYS 47 HN LYS 47 90.922 7.821 2.001 210 HA LYS 47 HA LYS 47 91.635 10.183 3.369 211 1HB LYS 47 HB2 LYS 47 88.930 9.070 3.803 212 2HB LYS 47 HB1 LYS 47 89.803 9.666 5.204 213 1HG LYS 47 HG2 LYS 47 90.130 11.762 3.596 214 2HG LYS 47 HG1 LYS 47 88.622 11.131 2.930 215 1HD LYS 47 HD2 LYS 47 87.427 11.672 4.771 216 2HD LYS 47 HD1 LYS 47 88.749 11.275 5.870 217 1HE LYS 47 HE2 LYS 47 89.797 13.447 4.729 218 2HE LYS 47 HE1 LYS 47 88.088 13.833 4.525 219 1HZ LYS 47 HZ1 LYS 47 89.338 13.101 7.118 220 2HZ LYS 47 HZ2 LYS 47 87.754 13.641 6.873 221 3HZ LYS 47 HZ3 LYS 47 89.053 14.691 6.611 222 H ASP 48 HN ASP 48 90.101 7.205 4.196 223 HA ASP 48 HA ASP 48 91.550 5.272 4.774 224 1HB ASP 48 HB2 ASP 48 93.336 6.815 5.487 225 2HB ASP 48 HB1 ASP 48 92.368 7.214 6.893 226 H ARG 49 HN ARG 49 89.357 7.485 6.004 227 HA ARG 49 HA ARG 49 88.486 6.161 8.358 228 1HB ARG 49 HB2 ARG 49 88.078 8.617 7.315 229 2HB ARG 49 HB1 ARG 49 86.560 7.845 6.882 230 1HG ARG 49 HG2 ARG 49 86.040 7.400 9.156 231 2HG ARG 49 HG1 ARG 49 87.660 7.859 9.678 232 1HD ARG 49 HD2 ARG 49 86.721 9.847 10.120 233 2HD ARG 49 HD1 ARG 49 86.866 10.110 8.383 234 HE ARG 49 HE ARG 49 84.422 8.809 9.149 235 1HH1 ARG 49 1HH1 ARG 49 86.013 11.887 8.743 236 2HH1 ARG 49 2HH1 ARG 49 84.536 12.764 8.517 237 1HH2 ARG 49 1HH2 ARG 49 82.476 9.959 8.852 238 2HH2 ARG 49 2HH2 ARG 49 82.528 11.669 8.580 239 H VAL 50 HN VAL 50 86.719 4.875 8.737 240 HA VAL 50 HA VAL 50 86.116 2.812 7.109 241 HB VAL 50 HB VAL 50 85.404 2.590 9.310 242 1HG1 VAL 50 1HG1 VAL 50 83.282 4.648 9.253 243 2HG1 VAL 50 2HG1 VAL 50 84.948 5.203 9.406 244 3HG1 VAL 50 3HG1 VAL 50 84.282 4.081 10.588 245 1HG2 VAL 50 1HG2 VAL 50 83.732 1.925 7.303 246 2HG2 VAL 50 2HG2 VAL 50 82.663 2.914 8.298 247 3HG2 VAL 50 3HG2 VAL 50 83.460 1.505 8.995 248 HA PRO 51 HA PRO 51 82.143 5.226 5.365 249 1HB PRO 51 HB2 PRO 51 83.075 7.791 4.667 250 2HB PRO 51 HB1 PRO 51 81.899 7.411 5.928 251 1HG PRO 51 HG2 PRO 51 84.819 7.933 6.152 252 2HG PRO 51 HG1 PRO 51 83.512 8.349 7.274 253 1HD PRO 51 HD2 PRO 51 85.165 6.330 7.796 254 2HD PRO 51 HD1 PRO 51 83.439 6.211 8.175 255 HA PRO 52 HA PRO 52 83.405 4.638 1.168 256 1HB PRO 52 HB2 PRO 52 83.029 7.186 -0.002 257 2HB PRO 52 HB1 PRO 52 81.895 5.835 -0.007 258 1HG PRO 52 HG2 PRO 52 82.001 8.213 1.771 259 2HG PRO 52 HG1 PRO 52 80.598 7.291 1.204 260 1HD PRO 52 HD2 PRO 52 81.478 7.060 3.713 261 2HD PRO 52 HD1 PRO 52 80.870 5.647 2.827 262 H GLU 53 HN GLU 53 85.614 4.674 2.408 263 HA GLU 53 HA GLU 53 87.347 6.324 0.846 264 1HB GLU 53 HB2 GLU 53 87.321 6.358 3.841 265 2HB GLU 53 HB1 GLU 53 88.698 6.904 2.898 266 1HG GLU 53 HG2 GLU 53 87.751 8.866 2.477 267 2HG GLU 53 HG1 GLU 53 86.236 8.120 1.999 268 H ILE 54 HN ILE 54 88.768 4.914 3.606 269 HA ILE 54 HA ILE 54 89.666 2.626 1.976 270 HB ILE 54 HB ILE 54 91.588 3.614 3.975 271 1HG1 ILE 54 2HG1 ILE 54 91.193 5.108 1.371 272 2HG1 ILE 54 1HG1 ILE 54 90.776 5.732 2.960 273 1HG2 ILE 54 1HG2 ILE 54 92.746 2.099 2.852 274 2HG2 ILE 54 2HG2 ILE 54 92.813 3.244 1.512 275 3HG2 ILE 54 3HG2 ILE 54 91.538 2.029 1.570 276 1HD1 ILE 54 1HD1 ILE 54 93.500 5.131 1.857 277 2HD1 ILE 54 2HD1 ILE 54 93.205 5.407 3.574 278 3HD1 ILE 54 3HD1 ILE 54 92.852 6.678 2.403 279 H LEU 55 HN LEU 55 88.162 3.469 4.859 280 HA LEU 55 HA LEU 55 87.718 2.316 6.778 281 1HB LEU 55 HB2 LEU 55 86.838 0.790 4.983 282 2HB LEU 55 HB1 LEU 55 88.337 -0.105 5.095 283 HG LEU 55 HG LEU 55 86.086 -0.796 6.385 284 1HD1 LEU 55 1HD1 LEU 55 87.468 -2.486 6.737 285 2HD1 LEU 55 2HD1 LEU 55 88.109 -1.617 8.131 286 3HD1 LEU 55 3HD1 LEU 55 88.877 -1.441 6.553 287 1HD2 LEU 55 1HD2 LEU 55 87.582 0.995 8.284 288 2HD2 LEU 55 2HD2 LEU 55 86.479 -0.272 8.819 289 3HD2 LEU 55 3HD2 LEU 55 85.877 1.058 7.833 290 H ALA 56 HN ALA 56 90.536 3.066 6.240 291 HA ALA 56 HA ALA 56 92.550 2.864 7.267 292 1HB ALA 56 HB1 ALA 56 91.575 0.957 9.300 293 2HB ALA 56 HB2 ALA 56 90.772 2.526 9.227 294 3HB ALA 56 HB3 ALA 56 92.513 2.438 9.488 295 H MET 57 HN MET 57 91.553 0.807 5.291 296 HA MET 57 HA MET 57 92.408 -1.021 4.238 297 1HB MET 57 HB2 MET 57 94.698 -0.539 6.150 298 2HB MET 57 HB1 MET 57 94.720 -1.786 4.915 299 1HG MET 57 HG2 MET 57 94.915 -0.288 3.201 300 2HG MET 57 HG1 MET 57 94.135 1.011 4.100 301 1HE MET 57 HE1 MET 57 97.319 2.660 3.298 302 2HE MET 57 HE2 MET 57 96.006 1.824 2.470 303 3HE MET 57 HE3 MET 57 97.612 1.099 2.532 304 H HIS 58 HN HIS 58 93.649 -1.610 7.514 305 HA HIS 58 HA HIS 58 92.653 -4.292 7.513 306 1HB HIS 58 HB2 HIS 58 94.465 -2.705 9.095 307 2HB HIS 58 HB1 HIS 58 93.351 -3.572 10.147 308 HD2 HIS 58 HD2 HIS 58 96.662 -4.136 8.658 309 HE1 HIS 58 HE1 HIS 58 94.892 -7.976 8.876 310 HE2 HIS 58 HE2 HIS 58 97.076 -6.696 8.712 311 H GLU 59 HN GLU 59 91.589 -4.909 9.821 312 HA GLU 59 HA GLU 59 88.925 -4.279 9.683 313 1HB GLU 59 HB2 GLU 59 90.160 -6.072 11.084 314 2HB GLU 59 HB1 GLU 59 90.216 -4.838 12.335 315 1HG GLU 59 HG2 GLU 59 88.185 -5.425 12.968 316 2HG GLU 59 HG1 GLU 59 87.567 -4.902 11.401 317 H ASN 60 HN ASN 60 91.467 -2.431 11.186 318 HA ASN 60 HA ASN 60 89.931 -0.820 12.889 319 1HB ASN 60 HB2 ASN 60 92.528 -0.291 11.442 320 2HB ASN 60 HB1 ASN 60 91.828 0.836 12.601 321 1HD2 ASN 60 1HD2 ASN 60 94.266 -1.034 12.458 322 2HD2 ASN 60 2HD2 ASN 60 94.261 -1.802 14.015 323 H VAL 61 HN VAL 61 89.748 1.642 12.497 324 HA VAL 61 HA VAL 61 88.862 2.187 9.748 325 HB VAL 61 HB VAL 61 86.829 3.255 10.528 326 1HG1 VAL 61 1HG1 VAL 61 87.261 0.570 10.425 327 2HG1 VAL 61 2HG1 VAL 61 85.679 1.322 10.618 328 3HG1 VAL 61 3HG1 VAL 61 86.560 0.749 12.030 329 1HG2 VAL 61 1HG2 VAL 61 86.355 3.790 12.663 330 2HG2 VAL 61 2HG2 VAL 61 88.080 3.564 12.938 331 3HG2 VAL 61 3HG2 VAL 61 86.956 2.254 13.283 332 H LEU 62 HN LEU 62 89.341 4.242 8.985 333 HA LEU 62 HA LEU 62 90.291 6.305 8.949 334 1HB LEU 62 HB2 LEU 62 89.500 7.807 10.431 335 2HB LEU 62 HB1 LEU 62 88.477 6.469 10.903 336 HG LEU 62 HG LEU 62 90.792 6.216 12.482 337 1HD1 LEU 62 1HD1 LEU 62 90.360 8.640 13.571 338 2HD1 LEU 62 2HD1 LEU 62 90.168 9.026 11.861 339 3HD1 LEU 62 3HD1 LEU 62 91.664 8.292 12.435 340 1HD2 LEU 62 1HD2 LEU 62 89.305 6.281 14.225 341 2HD2 LEU 62 2HD2 LEU 62 88.218 5.916 12.884 342 3HD2 LEU 62 3HD2 LEU 62 88.338 7.564 13.499 343 H LYS 63 HN LYS 63 92.027 7.720 10.187 344 HA LYS 63 HA LYS 63 94.354 6.089 10.351 345 1HB LYS 63 HB2 LYS 63 94.011 8.636 9.673 346 2HB LYS 63 HB1 LYS 63 94.379 8.889 11.373 347 1HG LYS 63 HG2 LYS 63 96.388 9.090 10.066 348 2HG LYS 63 HG1 LYS 63 96.483 7.649 11.082 349 1HD LYS 63 HD2 LYS 63 96.245 6.209 9.290 350 2HD LYS 63 HD1 LYS 63 95.449 7.424 8.287 351 1HE LYS 63 HE2 LYS 63 97.496 7.427 7.291 352 2HE LYS 63 HE1 LYS 63 97.798 8.628 8.546 353 1HZ LYS 63 HZ1 LYS 63 98.407 6.335 9.805 354 2HZ LYS 63 HZ2 LYS 63 99.535 7.327 9.029 355 3HZ LYS 63 HZ3 LYS 63 98.901 5.981 8.226 Start of MODEL 6 1 H ARG 16 HN ARG 16 96.103 -13.145 -4.775 2 HA ARG 16 HA ARG 16 94.510 -10.793 -4.005 3 1HB ARG 16 HB2 ARG 16 93.866 -13.084 -5.858 4 2HB ARG 16 HB1 ARG 16 92.673 -11.912 -5.318 5 1HG ARG 16 HG2 ARG 16 93.292 -10.483 -6.890 6 2HG ARG 16 HG1 ARG 16 94.968 -10.541 -6.343 7 1HD ARG 16 HD2 ARG 16 95.567 -12.089 -7.901 8 2HD ARG 16 HD1 ARG 16 93.977 -12.849 -7.915 9 HE ARG 16 HE ARG 16 93.513 -10.445 -9.057 10 1HH1 ARG 16 1HH1 ARG 16 95.849 -12.963 -9.676 11 2HH1 ARG 16 2HH1 ARG 16 95.958 -12.617 -11.370 12 1HH2 ARG 16 1HH2 ARG 16 93.656 -9.989 -11.284 13 2HH2 ARG 16 2HH2 ARG 16 94.714 -10.929 -12.283 14 H GLU 17 HN GLU 17 93.318 -10.887 -2.245 15 HA GLU 17 HA GLU 17 92.343 -13.459 -1.249 16 1HB GLU 17 HB2 GLU 17 93.838 -11.463 0.468 17 2HB GLU 17 HB1 GLU 17 93.056 -12.929 1.044 18 1HG GLU 17 HG2 GLU 17 94.697 -13.921 -0.877 19 2HG GLU 17 HG1 GLU 17 95.644 -12.561 -0.272 20 H SER 18 HN SER 18 92.487 -10.019 -0.351 21 HA SER 18 HA SER 18 89.557 -9.908 -0.393 22 1HB SER 18 HB2 SER 18 91.078 -8.548 1.819 23 2HB SER 18 HB1 SER 18 89.364 -8.954 1.742 24 HG SER 18 HG SER 18 91.538 -10.750 2.055 25 H LYS 19 HN LYS 19 88.912 -7.428 -0.093 26 HA LYS 19 HA LYS 19 90.880 -5.811 -1.542 27 1HB LYS 19 HB2 LYS 19 87.940 -5.588 -2.101 28 2HB LYS 19 HB1 LYS 19 89.289 -4.967 -3.046 29 1HG LYS 19 HG2 LYS 19 89.268 -7.883 -2.744 30 2HG LYS 19 HG1 LYS 19 87.878 -7.228 -3.605 31 1HD LYS 19 HD2 LYS 19 89.597 -5.903 -4.973 32 2HD LYS 19 HD1 LYS 19 90.791 -7.017 -4.297 33 1HE LYS 19 HE2 LYS 19 90.227 -8.066 -6.272 34 2HE LYS 19 HE1 LYS 19 89.147 -8.853 -5.122 35 1HZ LYS 19 HZ1 LYS 19 87.640 -6.801 -5.895 36 2HZ LYS 19 HZ2 LYS 19 87.610 -8.314 -6.651 37 3HZ LYS 19 HZ3 LYS 19 88.527 -7.057 -7.314 38 H CYS 20 HN CYS 20 89.941 -3.467 -1.673 39 HA CYS 20 HA CYS 20 89.733 -2.562 1.068 40 1HB CYS 20 HB2 CYS 20 91.350 -1.504 -0.410 41 2HB CYS 20 HB1 CYS 20 90.064 -1.035 -1.517 42 HA PRO 21 HA PRO 21 85.773 -0.605 -1.342 43 1HB PRO 21 HB2 PRO 21 84.971 -3.373 -2.139 44 2HB PRO 21 HB1 PRO 21 84.582 -1.829 -2.908 45 1HG PRO 21 HG2 PRO 21 86.477 -3.403 -3.913 46 2HG PRO 21 HG1 PRO 21 86.670 -1.641 -3.893 47 1HD PRO 21 HD2 PRO 21 87.985 -3.702 -2.221 48 2HD PRO 21 HD1 PRO 21 88.586 -2.115 -2.728 49 H THR 22 HN THR 22 85.927 -0.604 1.094 50 HA THR 22 HA THR 22 84.455 -2.628 2.507 51 HB THR 22 HB THR 22 84.721 -0.549 4.245 52 HG1 THR 22 HG1 THR 22 85.891 0.888 3.271 53 1HG2 THR 22 1HG2 THR 22 87.225 -1.616 4.393 54 2HG2 THR 22 2HG2 THR 22 86.304 -2.908 3.625 55 3HG2 THR 22 3HG2 THR 22 85.787 -2.262 5.183 56 HA PRO 23 HA PRO 23 80.289 -1.132 2.829 57 1HB PRO 23 HB2 PRO 23 80.992 0.111 5.464 58 2HB PRO 23 HB1 PRO 23 79.580 -0.857 5.023 59 1HG PRO 23 HG2 PRO 23 81.611 -1.930 6.384 60 2HG PRO 23 HG1 PRO 23 80.740 -2.853 5.148 61 1HD PRO 23 HD2 PRO 23 83.465 -1.703 5.070 62 2HD PRO 23 HD1 PRO 23 82.795 -3.079 4.176 63 H GLY 24 HN GLY 24 82.899 1.059 3.657 64 1HA GLY 24 HA2 GLY 24 81.296 3.386 2.896 65 2HA GLY 24 HA1 GLY 24 82.878 3.423 3.663 66 H CYS 25 HN CYS 25 84.643 2.303 2.200 67 HA CYS 25 HA CYS 25 84.990 3.918 -0.036 68 1HB CYS 25 HB2 CYS 25 86.830 2.631 1.171 69 2HB CYS 25 HB1 CYS 25 86.280 1.204 0.279 70 H ASP 26 HN ASP 26 85.141 3.339 -2.317 71 HA ASP 26 HA ASP 26 83.035 1.427 -3.067 72 1HB ASP 26 HB2 ASP 26 82.814 3.929 -3.610 73 2HB ASP 26 HB1 ASP 26 84.078 3.655 -4.802 74 H GLY 27 HN GLY 27 86.315 2.516 -3.736 75 1HA GLY 27 HA2 GLY 27 88.069 1.144 -4.483 76 2HA GLY 27 HA1 GLY 27 86.892 -0.050 -4.968 77 H THR 28 HN THR 28 87.496 3.301 -5.744 78 HA THR 28 HA THR 28 88.075 2.722 -8.462 79 HB THR 28 HB THR 28 85.406 3.467 -7.589 80 HG1 THR 28 HG1 THR 28 85.099 2.038 -9.066 81 1HG2 THR 28 1HG2 THR 28 86.723 5.208 -9.632 82 2HG2 THR 28 2HG2 THR 28 85.723 5.668 -8.252 83 3HG2 THR 28 3HG2 THR 28 84.988 4.889 -9.655 84 H GLY 29 HN GLY 29 89.428 4.223 -9.283 85 1HA GLY 29 HA2 GLY 29 90.225 6.403 -9.673 86 2HA GLY 29 HA1 GLY 29 89.378 6.956 -8.237 87 H HIS 30 HN HIS 30 91.296 4.103 -7.987 88 HA HIS 30 HA HIS 30 92.908 3.725 -6.312 89 1HB HIS 30 HB2 HIS 30 93.622 3.949 -8.793 90 2HB HIS 30 HB1 HIS 30 94.578 5.280 -8.223 91 HD2 HIS 30 HD2 HIS 30 94.237 1.414 -7.601 92 HE1 HIS 30 HE1 HIS 30 98.234 2.625 -6.957 93 HE2 HIS 30 HE2 HIS 30 96.623 0.673 -6.919 94 H VAL 31 HN VAL 31 95.290 5.080 -5.861 95 HA VAL 31 HA VAL 31 94.540 6.875 -3.812 96 HB VAL 31 HB VAL 31 96.652 5.582 -3.797 97 1HG1 VAL 31 1HG1 VAL 31 98.138 7.531 -5.387 98 2HG1 VAL 31 2HG1 VAL 31 97.023 6.538 -6.325 99 3HG1 VAL 31 3HG1 VAL 31 98.264 5.773 -5.335 100 1HG2 VAL 31 1HG2 VAL 31 96.474 8.477 -3.258 101 2HG2 VAL 31 2HG2 VAL 31 98.096 7.787 -3.261 102 3HG2 VAL 31 3HG2 VAL 31 96.866 7.142 -2.175 103 H THR 32 HN THR 32 95.507 7.530 -7.167 104 HA THR 32 HA THR 32 94.888 10.349 -6.619 105 HB THR 32 HB THR 32 97.229 10.376 -6.824 106 HG1 THR 32 HG1 THR 32 96.808 11.957 -8.151 107 1HG2 THR 32 1HG2 THR 32 98.524 9.263 -8.484 108 2HG2 THR 32 2HG2 THR 32 97.073 8.684 -9.303 109 3HG2 THR 32 3HG2 THR 32 97.488 8.071 -7.702 110 H GLY 33 HN GLY 33 93.478 7.928 -7.896 111 1HA GLY 33 HA2 GLY 33 91.959 7.626 -9.582 112 2HA GLY 33 HA1 GLY 33 92.031 9.360 -9.791 113 H LEU 34 HN LEU 34 95.027 7.815 -10.071 114 HA LEU 34 HA LEU 34 94.951 8.243 -12.957 115 1HB LEU 34 HB2 LEU 34 97.335 7.724 -11.202 116 2HB LEU 34 HB1 LEU 34 97.361 8.192 -12.897 117 HG LEU 34 HG LEU 34 96.053 9.871 -10.820 118 1HD1 LEU 34 1HD1 LEU 34 98.808 10.491 -11.790 119 2HD1 LEU 34 2HD1 LEU 34 98.609 9.323 -10.486 120 3HD1 LEU 34 3HD1 LEU 34 98.015 10.971 -10.290 121 1HD2 LEU 34 1HD2 LEU 34 95.432 10.411 -13.062 122 2HD2 LEU 34 2HD2 LEU 34 97.118 10.410 -13.583 123 3HD2 LEU 34 3HD2 LEU 34 96.535 11.662 -12.485 124 H TYR 35 HN TYR 35 94.221 5.863 -10.951 125 HA TYR 35 HA TYR 35 95.385 3.820 -12.737 126 1HB TYR 35 HB2 TYR 35 94.702 3.425 -9.841 127 2HB TYR 35 HB1 TYR 35 95.503 2.273 -10.888 128 HD1 TYR 35 HD1 TYR 35 96.041 5.871 -10.082 129 HD2 TYR 35 HD2 TYR 35 97.713 1.981 -10.235 130 HE1 TYR 35 HE1 TYR 35 98.209 6.788 -9.379 131 HE2 TYR 35 HE2 TYR 35 99.889 2.878 -9.545 132 HH TYR 35 HH TYR 35 100.817 4.784 -8.414 133 HA PRO 36 HA PRO 36 91.237 2.540 -13.498 134 1HB PRO 36 HB2 PRO 36 91.954 -0.289 -13.456 135 2HB PRO 36 HB1 PRO 36 91.503 0.720 -14.832 136 1HG PRO 36 HG2 PRO 36 94.018 -0.231 -14.467 137 2HG PRO 36 HG1 PRO 36 93.678 1.305 -15.282 138 1HD PRO 36 HD2 PRO 36 94.595 0.813 -12.474 139 2HD PRO 36 HD1 PRO 36 95.098 2.074 -13.621 140 H HIS 37 HN HIS 37 91.726 3.029 -10.769 141 HA HIS 37 HA HIS 37 90.410 2.749 -8.902 142 1HB HIS 37 HB2 HIS 37 89.860 -0.126 -9.575 143 2HB HIS 37 HB1 HIS 37 88.949 0.954 -8.533 144 HD2 HIS 37 HD2 HIS 37 88.156 3.324 -10.504 145 HE1 HIS 37 HE1 HIS 37 86.813 0.265 -13.100 146 HE2 HIS 37 HE2 HIS 37 86.559 2.703 -12.449 147 H HIS 38 HN HIS 38 90.518 0.872 -7.093 148 HA HIS 38 HA HIS 38 93.298 -0.081 -7.068 149 1HB HIS 38 HB2 HIS 38 93.435 0.478 -4.646 150 2HB HIS 38 HB1 HIS 38 93.331 1.880 -5.702 151 HD1 HIS 38 HD1 HIS 38 91.226 3.365 -5.479 152 HD2 HIS 38 HD2 HIS 38 91.293 0.055 -2.979 153 HE1 HIS 38 HE1 HIS 38 89.375 3.735 -3.771 154 H ARG 39 HN ARG 39 93.446 -2.142 -6.777 155 HA ARG 39 HA ARG 39 91.272 -3.829 -6.388 156 1HB ARG 39 HB2 ARG 39 94.227 -4.165 -6.395 157 2HB ARG 39 HB1 ARG 39 93.256 -5.483 -5.752 158 1HG ARG 39 HG2 ARG 39 92.518 -4.327 -8.390 159 2HG ARG 39 HG1 ARG 39 93.924 -5.387 -8.288 160 1HD ARG 39 HD2 ARG 39 92.650 -7.203 -8.103 161 2HD ARG 39 HD1 ARG 39 91.661 -6.469 -6.842 162 HE ARG 39 HE ARG 39 90.693 -5.272 -9.013 163 1HH1 ARG 39 1HH1 ARG 39 91.409 -8.637 -8.413 164 2HH1 ARG 39 2HH1 ARG 39 90.186 -9.217 -9.491 165 1HH2 ARG 39 1HH2 ARG 39 89.084 -6.037 -10.428 166 2HH2 ARG 39 2HH2 ARG 39 88.866 -7.742 -10.635 167 H SER 40 HN SER 40 93.404 -2.349 -4.014 168 HA SER 40 HA SER 40 91.687 -2.798 -1.881 169 1HB SER 40 HB2 SER 40 92.497 -4.686 -0.726 170 2HB SER 40 HB1 SER 40 92.401 -5.213 -2.403 171 HG SER 40 HG SER 40 94.392 -5.773 -1.372 172 H LEU 41 HN LEU 41 92.637 -0.553 -1.896 173 HA LEU 41 HA LEU 41 93.767 0.970 -0.626 174 1HB LEU 41 HB2 LEU 41 95.509 -1.194 0.507 175 2HB LEU 41 HB1 LEU 41 95.104 0.359 1.207 176 HG LEU 41 HG LEU 41 92.680 -1.083 0.836 177 1HD1 LEU 41 1HD1 LEU 41 94.954 -2.757 1.578 178 2HD1 LEU 41 2HD1 LEU 41 93.332 -3.213 1.058 179 3HD1 LEU 41 3HD1 LEU 41 93.632 -2.807 2.746 180 1HD2 LEU 41 1HD2 LEU 41 92.274 -0.361 2.940 181 2HD2 LEU 41 2HD2 LEU 41 93.672 0.662 2.610 182 3HD2 LEU 41 3HD2 LEU 41 93.869 -0.832 3.527 183 H SER 42 HN SER 42 95.267 -1.231 -2.762 184 HA SER 42 HA SER 42 97.903 -0.431 -2.850 185 1HB SER 42 HB2 SER 42 96.028 -1.688 -4.680 186 2HB SER 42 HB1 SER 42 97.156 -0.641 -5.541 187 HG SER 42 HG SER 42 97.845 -2.710 -3.721 188 H GLY 43 HN GLY 43 95.057 1.342 -3.607 189 1HA GLY 43 HA2 GLY 43 96.677 3.659 -4.341 190 2HA GLY 43 HA1 GLY 43 95.266 3.234 -5.282 191 H CYS 44 HN CYS 44 93.243 3.240 -4.301 192 HA CYS 44 HA CYS 44 91.576 4.380 -3.191 193 1HB CYS 44 HB2 CYS 44 92.655 2.680 -1.496 194 2HB CYS 44 HB1 CYS 44 93.185 4.150 -0.681 195 HA PRO 45 HA PRO 45 93.312 8.561 -2.686 196 1HB PRO 45 HB2 PRO 45 91.660 9.825 -4.277 197 2HB PRO 45 HB1 PRO 45 92.736 8.609 -4.977 198 1HG PRO 45 HG2 PRO 45 89.819 8.423 -4.353 199 2HG PRO 45 HG1 PRO 45 90.716 7.728 -5.712 200 1HD PRO 45 HD2 PRO 45 90.012 6.438 -3.267 201 2HD PRO 45 HD1 PRO 45 91.052 5.793 -4.552 202 H HIS 46 HN HIS 46 91.213 7.298 -0.817 203 HA HIS 46 HA HIS 46 89.463 9.591 -0.439 204 1HB HIS 46 HB2 HIS 46 89.394 6.903 0.912 205 2HB HIS 46 HB1 HIS 46 88.137 8.130 0.923 206 HD2 HIS 46 HD2 HIS 46 88.816 4.961 -0.770 207 HE1 HIS 46 HE1 HIS 46 86.663 7.189 -3.611 208 HE2 HIS 46 HE2 HIS 46 87.641 4.934 -3.065 209 H LYS 47 HN LYS 47 90.442 7.505 2.233 210 HA LYS 47 HA LYS 47 92.157 9.463 3.441 211 1HB LYS 47 HB2 LYS 47 89.308 9.214 4.157 212 2HB LYS 47 HB1 LYS 47 90.454 9.416 5.471 213 1HG LYS 47 HG2 LYS 47 90.104 11.280 3.137 214 2HG LYS 47 HG1 LYS 47 89.504 11.544 4.772 215 1HD LYS 47 HD2 LYS 47 91.893 11.368 5.557 216 2HD LYS 47 HD1 LYS 47 92.371 11.408 3.859 217 1HE LYS 47 HE2 LYS 47 91.161 13.571 3.637 218 2HE LYS 47 HE1 LYS 47 90.869 13.538 5.375 219 1HZ LYS 47 HZ1 LYS 47 93.602 13.364 4.262 220 2HZ LYS 47 HZ2 LYS 47 93.129 13.787 5.829 221 3HZ LYS 47 HZ3 LYS 47 92.857 14.856 4.546 222 H ASP 48 HN ASP 48 89.919 7.245 4.790 223 HA ASP 48 HA ASP 48 91.130 4.907 5.111 224 1HB ASP 48 HB2 ASP 48 93.014 6.321 6.074 225 2HB ASP 48 HB1 ASP 48 91.960 6.598 7.446 226 H ARG 49 HN ARG 49 89.362 7.488 6.432 227 HA ARG 49 HA ARG 49 88.120 6.350 8.648 228 1HB ARG 49 HB2 ARG 49 86.770 8.251 6.748 229 2HB ARG 49 HB1 ARG 49 86.466 8.056 8.467 230 1HG ARG 49 HG2 ARG 49 87.911 9.677 8.878 231 2HG ARG 49 HG1 ARG 49 89.199 8.672 8.208 232 1HD ARG 49 HD2 ARG 49 89.408 10.454 6.817 233 2HD ARG 49 HD1 ARG 49 88.167 9.576 5.926 234 HE ARG 49 HE ARG 49 86.612 11.176 6.536 235 1HH1 ARG 49 1HH1 ARG 49 89.632 11.744 8.197 236 2HH1 ARG 49 2HH1 ARG 49 89.184 13.331 8.723 237 1HH2 ARG 49 1HH2 ARG 49 86.026 13.260 7.232 238 2HH2 ARG 49 2HH2 ARG 49 87.139 14.191 8.178 239 H VAL 50 HN VAL 50 86.639 4.878 8.992 240 HA VAL 50 HA VAL 50 85.817 2.876 7.481 241 HB VAL 50 HB VAL 50 83.626 4.181 9.060 242 1HG1 VAL 50 1HG1 VAL 50 82.881 2.021 9.451 243 2HG1 VAL 50 2HG1 VAL 50 84.459 1.309 9.106 244 3HG1 VAL 50 3HG1 VAL 50 83.473 1.949 7.790 245 1HG2 VAL 50 1HG2 VAL 50 84.598 3.121 11.105 246 2HG2 VAL 50 2HG2 VAL 50 85.509 4.503 10.501 247 3HG2 VAL 50 3HG2 VAL 50 86.087 2.864 10.198 248 HA PRO 51 HA PRO 51 81.977 5.418 5.640 249 1HB PRO 51 HB2 PRO 51 83.448 8.015 5.528 250 2HB PRO 51 HB1 PRO 51 81.723 7.711 5.765 251 1HG PRO 51 HG2 PRO 51 83.240 8.401 7.822 252 2HG PRO 51 HG1 PRO 51 81.999 7.148 8.007 253 1HD PRO 51 HD2 PRO 51 84.958 6.864 7.751 254 2HD PRO 51 HD1 PRO 51 83.820 5.941 8.750 255 HA PRO 52 HA PRO 52 83.314 5.420 1.410 256 1HB PRO 52 HB2 PRO 52 83.084 8.379 1.134 257 2HB PRO 52 HB1 PRO 52 82.438 7.099 0.100 258 1HG PRO 52 HG2 PRO 52 80.843 8.405 1.773 259 2HG PRO 52 HG1 PRO 52 80.665 6.656 1.536 260 1HD PRO 52 HD2 PRO 52 81.856 8.149 3.825 261 2HD PRO 52 HD1 PRO 52 80.927 6.638 3.823 262 H GLU 53 HN GLU 53 85.511 5.170 2.803 263 HA GLU 53 HA GLU 53 87.408 6.806 1.407 264 1HB GLU 53 HB2 GLU 53 87.742 6.330 4.353 265 2HB GLU 53 HB1 GLU 53 88.722 7.357 3.319 266 1HG GLU 53 HG2 GLU 53 85.814 7.915 3.732 267 2HG GLU 53 HG1 GLU 53 87.008 8.420 4.910 268 H ILE 54 HN ILE 54 88.676 4.887 3.945 269 HA ILE 54 HA ILE 54 89.240 2.717 2.023 270 HB ILE 54 HB ILE 54 91.336 3.376 4.033 271 1HG1 ILE 54 2HG1 ILE 54 90.744 5.025 1.591 272 2HG1 ILE 54 1HG1 ILE 54 91.200 5.542 3.203 273 1HG2 ILE 54 1HG2 ILE 54 91.587 2.417 1.191 274 2HG2 ILE 54 2HG2 ILE 54 91.398 1.355 2.580 275 3HG2 ILE 54 3HG2 ILE 54 92.816 2.393 2.449 276 1HD1 ILE 54 1HD1 ILE 54 92.972 5.910 1.550 277 2HD1 ILE 54 2HD1 ILE 54 93.042 4.172 1.267 278 3HD1 ILE 54 3HD1 ILE 54 93.470 4.824 2.848 279 H LEU 55 HN LEU 55 88.429 3.657 5.230 280 HA LEU 55 HA LEU 55 87.901 2.522 7.122 281 1HB LEU 55 HB2 LEU 55 86.418 1.431 5.318 282 2HB LEU 55 HB1 LEU 55 87.540 0.086 5.386 283 HG LEU 55 HG LEU 55 86.352 0.987 7.958 284 1HD1 LEU 55 1HD1 LEU 55 84.271 -0.004 7.632 285 2HD1 LEU 55 2HD1 LEU 55 84.783 -0.813 6.154 286 3HD1 LEU 55 3HD1 LEU 55 84.526 0.931 6.159 287 1HD2 LEU 55 1HD2 LEU 55 87.700 -1.322 6.862 288 2HD2 LEU 55 2HD2 LEU 55 86.184 -1.775 7.643 289 3HD2 LEU 55 3HD2 LEU 55 87.409 -0.882 8.544 290 H ALA 56 HN ALA 56 90.730 2.221 5.815 291 HA ALA 56 HA ALA 56 92.674 1.083 6.192 292 1HB ALA 56 HB1 ALA 56 93.257 0.897 8.489 293 2HB ALA 56 HB2 ALA 56 91.565 0.789 8.974 294 3HB ALA 56 HB3 ALA 56 92.203 2.301 8.331 295 H MET 57 HN MET 57 90.333 -0.570 5.374 296 HA MET 57 HA MET 57 89.638 -2.741 5.245 297 1HB MET 57 HB2 MET 57 92.551 -2.642 4.926 298 2HB MET 57 HB1 MET 57 91.934 -4.238 5.330 299 1HG MET 57 HG2 MET 57 90.195 -3.480 3.394 300 2HG MET 57 HG1 MET 57 91.673 -2.679 2.864 301 1HE MET 57 HE1 MET 57 89.714 -6.039 2.899 302 2HE MET 57 HE2 MET 57 90.502 -6.009 4.476 303 3HE MET 57 HE3 MET 57 90.986 -7.202 3.271 304 H HIS 58 HN HIS 58 92.451 -3.629 7.181 305 HA HIS 58 HA HIS 58 90.632 -4.433 9.353 306 1HB HIS 58 HB2 HIS 58 92.081 -6.405 9.729 307 2HB HIS 58 HB1 HIS 58 91.323 -6.427 8.140 308 HD2 HIS 58 HD2 HIS 58 93.113 -5.680 6.002 309 HE1 HIS 58 HE1 HIS 58 96.520 -6.737 8.280 310 HE2 HIS 58 HE2 HIS 58 95.687 -6.008 5.999 311 H GLU 59 HN GLU 59 91.802 -4.756 11.456 312 HA GLU 59 HA GLU 59 93.028 -3.887 13.165 313 1HB GLU 59 HB2 GLU 59 94.971 -3.850 10.888 314 2HB GLU 59 HB1 GLU 59 95.419 -3.107 12.416 315 1HG GLU 59 HG2 GLU 59 95.161 -5.175 13.577 316 2HG GLU 59 HG1 GLU 59 94.472 -5.948 12.150 317 H ASN 60 HN ASN 60 91.938 -2.096 13.802 318 HA ASN 60 HA ASN 60 91.458 0.098 14.133 319 1HB ASN 60 HB2 ASN 60 94.051 0.079 14.251 320 2HB ASN 60 HB1 ASN 60 93.972 0.851 12.670 321 1HD2 ASN 60 1HD2 ASN 60 94.978 2.680 13.610 322 2HD2 ASN 60 2HD2 ASN 60 94.057 3.808 14.554 323 H VAL 61 HN VAL 61 91.072 2.222 12.993 324 HA VAL 61 HA VAL 61 90.994 2.316 10.150 325 HB VAL 61 HB VAL 61 89.169 0.702 10.498 326 1HG1 VAL 61 1HG1 VAL 61 88.462 1.337 12.721 327 2HG1 VAL 61 2HG1 VAL 61 87.093 1.433 11.614 328 3HG1 VAL 61 3HG1 VAL 61 87.914 2.906 12.131 329 1HG2 VAL 61 1HG2 VAL 61 87.664 1.688 9.029 330 2HG2 VAL 61 2HG2 VAL 61 89.163 2.563 8.728 331 3HG2 VAL 61 3HG2 VAL 61 87.898 3.296 9.712 332 H LEU 62 HN LEU 62 89.713 4.310 9.384 333 HA LEU 62 HA LEU 62 89.308 6.547 9.569 334 1HB LEU 62 HB2 LEU 62 87.682 5.574 11.314 335 2HB LEU 62 HB1 LEU 62 88.825 6.163 12.504 336 HG LEU 62 HG LEU 62 87.997 8.168 10.515 337 1HD1 LEU 62 1HD1 LEU 62 85.864 8.465 12.041 338 2HD1 LEU 62 2HD1 LEU 62 86.024 6.715 12.196 339 3HD1 LEU 62 3HD1 LEU 62 85.836 7.446 10.601 340 1HD2 LEU 62 1HD2 LEU 62 88.414 8.019 13.481 341 2HD2 LEU 62 2HD2 LEU 62 87.656 9.422 12.727 342 3HD2 LEU 62 3HD2 LEU 62 89.300 8.960 12.282 343 H LYS 63 HN LYS 63 90.752 8.095 9.486 344 HA LYS 63 HA LYS 63 93.275 7.918 10.716 345 1HB LYS 63 HB2 LYS 63 92.628 9.185 8.596 346 2HB LYS 63 HB1 LYS 63 92.043 10.460 9.656 347 1HG LYS 63 HG2 LYS 63 94.829 9.444 9.975 348 2HG LYS 63 HG1 LYS 63 94.446 10.568 8.670 349 1HD LYS 63 HD2 LYS 63 93.259 11.870 10.658 350 2HD LYS 63 HD1 LYS 63 94.461 10.995 11.609 351 1HE LYS 63 HE2 LYS 63 95.781 12.745 11.107 352 2HE LYS 63 HE1 LYS 63 95.992 11.906 9.571 353 1HZ LYS 63 HZ1 LYS 63 95.351 13.908 8.786 354 2HZ LYS 63 HZ2 LYS 63 94.481 14.322 10.176 355 3HZ LYS 63 HZ3 LYS 63 93.801 13.274 9.036 Start of MODEL 7 1 H ARG 16 HN ARG 16 92.997 -13.250 -4.949 2 HA ARG 16 HA ARG 16 93.812 -14.770 -3.450 3 1HB ARG 16 HB2 ARG 16 96.127 -13.727 -4.342 4 2HB ARG 16 HB1 ARG 16 96.189 -13.174 -2.674 5 1HG ARG 16 HG2 ARG 16 97.220 -15.165 -2.405 6 2HG ARG 16 HG1 ARG 16 95.553 -15.718 -2.227 7 1HD ARG 16 HD2 ARG 16 95.624 -16.077 -4.774 8 2HD ARG 16 HD1 ARG 16 97.375 -15.958 -4.598 9 HE ARG 16 HE ARG 16 96.708 -17.804 -2.746 10 1HH1 ARG 16 1HH1 ARG 16 95.971 -17.489 -6.143 11 2HH1 ARG 16 2HH1 ARG 16 95.880 -19.198 -6.409 12 1HH2 ARG 16 1HH2 ARG 16 96.589 -20.047 -3.092 13 2HH2 ARG 16 2HH2 ARG 16 96.225 -20.651 -4.676 14 H GLU 17 HN GLU 17 94.791 -11.527 -2.310 15 HA GLU 17 HA GLU 17 93.731 -12.128 0.323 16 1HB GLU 17 HB2 GLU 17 95.631 -10.249 -0.805 17 2HB GLU 17 HB1 GLU 17 94.502 -9.444 0.276 18 1HG GLU 17 HG2 GLU 17 96.488 -10.153 1.466 19 2HG GLU 17 HG1 GLU 17 95.066 -11.017 2.050 20 H SER 18 HN SER 18 92.539 -10.170 1.395 21 HA SER 18 HA SER 18 90.021 -9.949 0.131 22 1HB SER 18 HB2 SER 18 90.287 -7.902 2.102 23 2HB SER 18 HB1 SER 18 89.431 -9.437 2.235 24 HG SER 18 HG SER 18 92.040 -8.771 3.027 25 H LYS 19 HN LYS 19 89.266 -7.266 0.545 26 HA LYS 19 HA LYS 19 91.054 -5.700 -1.102 27 1HB LYS 19 HB2 LYS 19 88.865 -4.984 -2.390 28 2HB LYS 19 HB1 LYS 19 89.832 -6.350 -2.906 29 1HG LYS 19 HG2 LYS 19 87.410 -6.806 -2.924 30 2HG LYS 19 HG1 LYS 19 88.315 -7.896 -1.874 31 1HD LYS 19 HD2 LYS 19 87.701 -6.217 -0.002 32 2HD LYS 19 HD1 LYS 19 86.473 -5.650 -1.134 33 1HE LYS 19 HE2 LYS 19 86.767 -8.548 -0.399 34 2HE LYS 19 HE1 LYS 19 85.782 -7.435 0.549 35 1HZ LYS 19 HZ1 LYS 19 85.330 -7.505 -2.335 36 2HZ LYS 19 HZ2 LYS 19 84.226 -7.285 -1.073 37 3HZ LYS 19 HZ3 LYS 19 84.792 -8.836 -1.437 38 H CYS 20 HN CYS 20 90.053 -3.450 -1.445 39 HA CYS 20 HA CYS 20 89.462 -2.420 1.201 40 1HB CYS 20 HB2 CYS 20 91.241 -1.389 -0.160 41 2HB CYS 20 HB1 CYS 20 90.038 -0.935 -1.366 42 HA PRO 21 HA PRO 21 85.855 -0.586 -1.789 43 1HB PRO 21 HB2 PRO 21 85.339 -3.363 -2.781 44 2HB PRO 21 HB1 PRO 21 84.989 -1.814 -3.560 45 1HG PRO 21 HG2 PRO 21 87.110 -3.237 -4.292 46 2HG PRO 21 HG1 PRO 21 87.201 -1.472 -4.169 47 1HD PRO 21 HD2 PRO 21 88.330 -3.545 -2.384 48 2HD PRO 21 HD1 PRO 21 88.920 -1.910 -2.721 49 H THR 22 HN THR 22 85.392 -0.507 0.539 50 HA THR 22 HA THR 22 83.800 -2.699 1.609 51 HB THR 22 HB THR 22 83.736 -0.679 3.466 52 HG1 THR 22 HG1 THR 22 86.290 -0.566 2.263 53 1HG2 THR 22 1HG2 THR 22 86.195 -2.284 3.492 54 2HG2 THR 22 2HG2 THR 22 84.674 -3.172 3.465 55 3HG2 THR 22 3HG2 THR 22 85.000 -2.015 4.757 56 HA PRO 23 HA PRO 23 79.705 -1.056 1.177 57 1HB PRO 23 HB2 PRO 23 79.131 -0.151 3.794 58 2HB PRO 23 HB1 PRO 23 78.717 -1.724 3.110 59 1HG PRO 23 HG2 PRO 23 80.987 -0.959 4.866 60 2HG PRO 23 HG1 PRO 23 80.110 -2.495 4.764 61 1HD PRO 23 HD2 PRO 23 82.579 -2.221 3.755 62 2HD PRO 23 HD1 PRO 23 81.360 -3.229 2.950 63 H GLY 24 HN GLY 24 82.094 0.784 2.935 64 1HA GLY 24 HA2 GLY 24 80.785 3.319 2.337 65 2HA GLY 24 HA1 GLY 24 82.236 3.095 3.303 66 H CYS 25 HN CYS 25 84.183 2.187 1.964 67 HA CYS 25 HA CYS 25 84.865 4.080 0.041 68 1HB CYS 25 HB2 CYS 25 86.598 2.612 1.160 69 2HB CYS 25 HB1 CYS 25 86.007 1.268 0.163 70 H ASP 26 HN ASP 26 85.126 3.889 -2.290 71 HA ASP 26 HA ASP 26 82.915 2.367 -3.442 72 1HB ASP 26 HB2 ASP 26 83.160 4.829 -3.882 73 2HB ASP 26 HB1 ASP 26 84.626 4.462 -4.786 74 H GLY 27 HN GLY 27 86.410 2.805 -3.779 75 1HA GLY 27 HA2 GLY 27 87.950 1.196 -4.488 76 2HA GLY 27 HA1 GLY 27 86.612 0.161 -4.936 77 H THR 28 HN THR 28 87.291 3.429 -5.851 78 HA THR 28 HA THR 28 88.056 2.732 -8.498 79 HB THR 28 HB THR 28 85.331 3.394 -7.831 80 HG1 THR 28 HG1 THR 28 85.923 1.727 -9.237 81 1HG2 THR 28 1HG2 THR 28 86.680 5.241 -9.765 82 2HG2 THR 28 2HG2 THR 28 85.662 5.646 -8.382 83 3HG2 THR 28 3HG2 THR 28 84.950 4.895 -9.811 84 H GLY 29 HN GLY 29 89.469 4.193 -9.257 85 1HA GLY 29 HA2 GLY 29 90.234 6.407 -9.661 86 2HA GLY 29 HA1 GLY 29 89.375 6.944 -8.224 87 H HIS 30 HN HIS 30 91.219 4.053 -7.975 88 HA HIS 30 HA HIS 30 92.813 3.617 -6.299 89 1HB HIS 30 HB2 HIS 30 93.563 3.897 -8.776 90 2HB HIS 30 HB1 HIS 30 94.526 5.199 -8.152 91 HD2 HIS 30 HD2 HIS 30 94.125 1.323 -7.498 92 HE1 HIS 30 HE1 HIS 30 98.162 2.482 -7.043 93 HE2 HIS 30 HE2 HIS 30 96.578 0.529 -7.294 94 H VAL 31 HN VAL 31 95.239 5.064 -5.953 95 HA VAL 31 HA VAL 31 94.510 6.770 -3.825 96 HB VAL 31 HB VAL 31 96.624 5.513 -3.861 97 1HG1 VAL 31 1HG1 VAL 31 98.108 7.452 -5.440 98 2HG1 VAL 31 2HG1 VAL 31 96.928 6.550 -6.393 99 3HG1 VAL 31 3HG1 VAL 31 98.159 5.688 -5.466 100 1HG2 VAL 31 1HG2 VAL 31 96.808 8.501 -3.544 101 2HG2 VAL 31 2HG2 VAL 31 98.075 7.387 -3.034 102 3HG2 VAL 31 3HG2 VAL 31 96.477 7.298 -2.297 103 H THR 32 HN THR 32 95.368 7.522 -7.178 104 HA THR 32 HA THR 32 94.689 10.306 -6.545 105 HB THR 32 HB THR 32 97.048 10.347 -6.710 106 HG1 THR 32 HG1 THR 32 96.065 11.031 -9.277 107 1HG2 THR 32 1HG2 THR 32 96.838 8.772 -9.264 108 2HG2 THR 32 2HG2 THR 32 97.441 8.169 -7.720 109 3HG2 THR 32 3HG2 THR 32 98.315 9.441 -8.574 110 H GLY 33 HN GLY 33 93.293 7.947 -7.849 111 1HA GLY 33 HA2 GLY 33 91.787 7.655 -9.549 112 2HA GLY 33 HA1 GLY 33 91.869 9.388 -9.754 113 H LEU 34 HN LEU 34 94.857 7.823 -10.039 114 HA LEU 34 HA LEU 34 94.771 8.251 -12.928 115 1HB LEU 34 HB2 LEU 34 97.163 7.769 -11.175 116 2HB LEU 34 HB1 LEU 34 97.182 8.226 -12.873 117 HG LEU 34 HG LEU 34 95.844 9.905 -10.818 118 1HD1 LEU 34 1HD1 LEU 34 97.777 10.912 -10.155 119 2HD1 LEU 34 2HD1 LEU 34 98.556 10.677 -11.718 120 3HD1 LEU 34 3HD1 LEU 34 98.464 9.342 -10.567 121 1HD2 LEU 34 1HD2 LEU 34 95.203 10.607 -12.932 122 2HD2 LEU 34 2HD2 LEU 34 96.793 10.289 -13.627 123 3HD2 LEU 34 3HD2 LEU 34 96.559 11.673 -12.558 124 H TYR 35 HN TYR 35 94.109 5.846 -10.904 125 HA TYR 35 HA TYR 35 95.275 3.836 -12.732 126 1HB TYR 35 HB2 TYR 35 94.707 3.436 -9.808 127 2HB TYR 35 HB1 TYR 35 95.440 2.269 -10.886 128 HD1 TYR 35 HD1 TYR 35 96.070 5.872 -10.140 129 HD2 TYR 35 HD2 TYR 35 97.669 1.949 -10.340 130 HE1 TYR 35 HE1 TYR 35 98.284 6.755 -9.549 131 HE2 TYR 35 HE2 TYR 35 99.890 2.815 -9.763 132 HH TYR 35 HH TYR 35 100.920 4.703 -8.725 133 HA PRO 36 HA PRO 36 91.177 2.385 -13.412 134 1HB PRO 36 HB2 PRO 36 91.955 -0.423 -13.264 135 2HB PRO 36 HB1 PRO 36 91.502 0.530 -14.679 136 1HG PRO 36 HG2 PRO 36 94.029 -0.359 -14.243 137 2HG PRO 36 HG1 PRO 36 93.669 1.136 -15.126 138 1HD PRO 36 HD2 PRO 36 94.558 0.775 -12.288 139 2HD PRO 36 HD1 PRO 36 95.054 1.999 -13.477 140 H HIS 37 HN HIS 37 91.671 2.946 -10.670 141 HA HIS 37 HA HIS 37 90.357 2.689 -8.802 142 1HB HIS 37 HB2 HIS 37 89.756 -0.177 -9.453 143 2HB HIS 37 HB1 HIS 37 88.859 0.939 -8.438 144 HD2 HIS 37 HD2 HIS 37 88.541 3.301 -10.759 145 HE1 HIS 37 HE1 HIS 37 86.477 0.218 -12.792 146 HE2 HIS 37 HE2 HIS 37 87.027 2.692 -12.775 147 H HIS 38 HN HIS 38 90.382 0.838 -6.983 148 HA HIS 38 HA HIS 38 93.116 -0.237 -6.901 149 1HB HIS 38 HB2 HIS 38 93.273 0.362 -4.496 150 2HB HIS 38 HB1 HIS 38 93.229 1.751 -5.569 151 HD1 HIS 38 HD1 HIS 38 91.165 3.314 -5.389 152 HD2 HIS 38 HD2 HIS 38 91.155 0.079 -2.784 153 HE1 HIS 38 HE1 HIS 38 89.344 3.792 -3.664 154 H ARG 39 HN ARG 39 93.116 -2.312 -6.607 155 HA ARG 39 HA ARG 39 90.763 -3.767 -6.042 156 1HB ARG 39 HB2 ARG 39 93.619 -4.434 -6.533 157 2HB ARG 39 HB1 ARG 39 92.619 -5.660 -5.769 158 1HG ARG 39 HG2 ARG 39 92.582 -6.073 -8.098 159 2HG ARG 39 HG1 ARG 39 91.007 -5.403 -7.666 160 1HD ARG 39 HD2 ARG 39 92.686 -3.226 -8.300 161 2HD ARG 39 HD1 ARG 39 92.924 -4.436 -9.557 162 HE ARG 39 HE ARG 39 90.445 -3.023 -8.930 163 1HH1 ARG 39 1HH1 ARG 39 92.105 -5.410 -10.875 164 2HH1 ARG 39 2HH1 ARG 39 90.879 -5.441 -12.095 165 1HH2 ARG 39 1HH2 ARG 39 88.839 -3.074 -10.532 166 2HH2 ARG 39 2HH2 ARG 39 89.026 -4.116 -11.902 167 H SER 40 HN SER 40 93.113 -2.372 -3.941 168 HA SER 40 HA SER 40 91.748 -3.004 -1.621 169 1HB SER 40 HB2 SER 40 92.333 -5.351 -2.107 170 2HB SER 40 HB1 SER 40 94.039 -4.918 -2.101 171 HG SER 40 HG SER 40 92.305 -4.519 0.105 172 H LEU 41 HN LEU 41 92.650 -0.675 -1.833 173 HA LEU 41 HA LEU 41 93.869 0.881 -0.696 174 1HB LEU 41 HB2 LEU 41 95.762 -1.192 0.338 175 2HB LEU 41 HB1 LEU 41 95.287 0.329 1.065 176 HG LEU 41 HG LEU 41 92.971 -1.342 0.825 177 1HD1 LEU 41 1HD1 LEU 41 94.568 -2.738 2.773 178 2HD1 LEU 41 2HD1 LEU 41 95.281 -2.883 1.166 179 3HD1 LEU 41 3HD1 LEU 41 93.610 -3.380 1.439 180 1HD2 LEU 41 1HD2 LEU 41 93.742 -1.126 3.510 181 2HD2 LEU 41 2HD2 LEU 41 92.595 -0.115 2.633 182 3HD2 LEU 41 3HD2 LEU 41 94.292 0.357 2.728 183 H SER 42 HN SER 42 95.140 -1.316 -2.945 184 HA SER 42 HA SER 42 97.771 -0.664 -3.294 185 1HB SER 42 HB2 SER 42 97.014 -0.711 -5.873 186 2HB SER 42 HB1 SER 42 97.109 -2.174 -4.892 187 HG SER 42 HG SER 42 94.941 -0.968 -6.000 188 H GLY 43 HN GLY 43 94.950 1.262 -3.827 189 1HA GLY 43 HA2 GLY 43 96.622 3.589 -4.365 190 2HA GLY 43 HA1 GLY 43 95.218 3.273 -5.349 191 H CYS 44 HN CYS 44 93.180 3.123 -4.298 192 HA CYS 44 HA CYS 44 91.510 4.157 -3.096 193 1HB CYS 44 HB2 CYS 44 92.679 2.549 -1.413 194 2HB CYS 44 HB1 CYS 44 93.294 4.028 -0.684 195 HA PRO 45 HA PRO 45 93.112 8.392 -3.030 196 1HB PRO 45 HB2 PRO 45 91.074 9.557 -4.270 197 2HB PRO 45 HB1 PRO 45 92.174 8.492 -5.151 198 1HG PRO 45 HG2 PRO 45 89.402 7.985 -4.192 199 2HG PRO 45 HG1 PRO 45 90.220 7.371 -5.638 200 1HD PRO 45 HD2 PRO 45 89.876 6.023 -3.168 201 2HD PRO 45 HD1 PRO 45 90.876 5.499 -4.535 202 H HIS 46 HN HIS 46 91.276 7.099 -0.853 203 HA HIS 46 HA HIS 46 89.909 9.556 -0.048 204 1HB HIS 46 HB2 HIS 46 89.472 6.840 1.156 205 2HB HIS 46 HB1 HIS 46 88.385 8.221 1.105 206 HD2 HIS 46 HD2 HIS 46 88.725 4.959 -0.543 207 HE1 HIS 46 HE1 HIS 46 86.938 7.433 -3.451 208 HE2 HIS 46 HE2 HIS 46 87.304 5.045 -2.701 209 H LYS 47 HN LYS 47 90.813 7.032 2.296 210 HA LYS 47 HA LYS 47 92.286 7.040 4.024 211 1HB LYS 47 HB2 LYS 47 93.638 8.481 2.060 212 2HB LYS 47 HB1 LYS 47 93.721 9.508 3.484 213 1HG LYS 47 HG2 LYS 47 95.147 8.145 4.535 214 2HG LYS 47 HG1 LYS 47 94.290 6.696 4.012 215 1HD LYS 47 HD2 LYS 47 96.287 6.461 2.885 216 2HD LYS 47 HD1 LYS 47 95.308 7.294 1.675 217 1HE LYS 47 HE2 LYS 47 96.449 9.321 3.222 218 2HE LYS 47 HE1 LYS 47 97.738 8.144 2.983 219 1HZ LYS 47 HZ1 LYS 47 97.095 10.058 1.226 220 2HZ LYS 47 HZ2 LYS 47 96.199 8.761 0.613 221 3HZ LYS 47 HZ3 LYS 47 97.872 8.613 0.810 222 H ASP 48 HN ASP 48 90.120 7.649 5.013 223 HA ASP 48 HA ASP 48 90.569 10.137 6.523 224 1HB ASP 48 HB2 ASP 48 88.737 10.210 4.590 225 2HB ASP 48 HB1 ASP 48 87.751 9.473 5.851 226 H ARG 49 HN ARG 49 90.456 6.976 6.733 227 HA ARG 49 HA ARG 49 89.986 5.451 8.339 228 1HB ARG 49 HB2 ARG 49 90.397 6.067 10.569 229 2HB ARG 49 HB1 ARG 49 91.346 7.190 9.612 230 1HG ARG 49 HG2 ARG 49 90.230 8.965 10.379 231 2HG ARG 49 HG1 ARG 49 88.666 8.166 10.245 232 1HD ARG 49 HD2 ARG 49 89.231 6.885 12.312 233 2HD ARG 49 HD1 ARG 49 90.670 7.888 12.476 234 HE ARG 49 HE ARG 49 87.898 8.725 12.848 235 1HH1 ARG 49 1HH1 ARG 49 91.284 9.591 12.785 236 2HH1 ARG 49 2HH1 ARG 49 91.042 11.080 13.631 237 1HH2 ARG 49 1HH2 ARG 49 87.587 10.685 13.957 238 2HH2 ARG 49 2HH2 ARG 49 88.946 11.700 14.298 239 H VAL 50 HN VAL 50 87.793 6.302 6.892 240 HA VAL 50 HA VAL 50 85.640 5.632 8.756 241 HB VAL 50 HB VAL 50 85.206 7.820 6.714 242 1HG1 VAL 50 1HG1 VAL 50 83.248 6.546 7.589 243 2HG1 VAL 50 2HG1 VAL 50 83.193 8.275 7.915 244 3HG1 VAL 50 3HG1 VAL 50 83.639 7.151 9.195 245 1HG2 VAL 50 1HG2 VAL 50 85.537 9.502 8.316 246 2HG2 VAL 50 2HG2 VAL 50 86.922 8.432 8.489 247 3HG2 VAL 50 3HG2 VAL 50 85.599 8.343 9.643 248 HA PRO 51 HA PRO 51 84.379 2.474 5.930 249 1HB PRO 51 HB2 PRO 51 81.849 3.862 5.428 250 2HB PRO 51 HB1 PRO 51 82.142 2.302 6.187 251 1HG PRO 51 HG2 PRO 51 81.761 4.916 7.445 252 2HG PRO 51 HG1 PRO 51 81.706 3.303 8.175 253 1HD PRO 51 HD2 PRO 51 83.698 5.042 8.718 254 2HD PRO 51 HD1 PRO 51 83.981 3.292 8.617 255 HA PRO 52 HA PRO 52 83.521 4.973 1.936 256 1HB PRO 52 HB2 PRO 52 83.114 7.632 2.025 257 2HB PRO 52 HB1 PRO 52 81.809 6.467 2.280 258 1HG PRO 52 HG2 PRO 52 83.408 7.993 4.300 259 2HG PRO 52 HG1 PRO 52 81.661 7.697 4.251 260 1HD PRO 52 HD2 PRO 52 83.360 6.265 5.814 261 2HD PRO 52 HD1 PRO 52 81.866 5.591 5.142 262 H GLU 53 HN GLU 53 85.993 4.462 2.802 263 HA GLU 53 HA GLU 53 87.571 6.288 1.367 264 1HB GLU 53 HB2 GLU 53 87.711 6.297 4.357 265 2HB GLU 53 HB1 GLU 53 89.128 6.695 3.398 266 1HG GLU 53 HG2 GLU 53 88.375 8.787 3.523 267 2HG GLU 53 HG1 GLU 53 87.241 8.296 2.271 268 H ILE 54 HN ILE 54 89.129 4.788 3.994 269 HA ILE 54 HA ILE 54 89.855 2.453 2.347 270 HB ILE 54 HB ILE 54 92.016 3.369 4.101 271 1HG1 ILE 54 2HG1 ILE 54 91.134 5.099 1.789 272 2HG1 ILE 54 1HG1 ILE 54 91.402 5.574 3.460 273 1HG2 ILE 54 1HG2 ILE 54 92.894 1.823 2.769 274 2HG2 ILE 54 2HG2 ILE 54 93.012 3.099 1.562 275 3HG2 ILE 54 3HG2 ILE 54 91.631 2.010 1.558 276 1HD1 ILE 54 1HD1 ILE 54 93.504 4.707 1.494 277 2HD1 ILE 54 2HD1 ILE 54 93.797 5.118 3.184 278 3HD1 ILE 54 3HD1 ILE 54 93.209 6.349 2.065 279 H LEU 55 HN LEU 55 88.483 3.483 5.120 280 HA LEU 55 HA LEU 55 89.598 2.149 7.215 281 1HB LEU 55 HB2 LEU 55 87.616 3.600 7.366 282 2HB LEU 55 HB1 LEU 55 86.646 2.307 6.687 283 HG LEU 55 HG LEU 55 86.906 0.954 8.621 284 1HD1 LEU 55 1HD1 LEU 55 89.218 2.719 9.140 285 2HD1 LEU 55 2HD1 LEU 55 89.025 0.987 9.410 286 3HD1 LEU 55 3HD1 LEU 55 88.329 2.139 10.549 287 1HD2 LEU 55 1HD2 LEU 55 86.574 3.111 10.378 288 2HD2 LEU 55 2HD2 LEU 55 85.316 2.176 9.566 289 3HD2 LEU 55 3HD2 LEU 55 85.940 3.650 8.821 290 H ALA 56 HN ALA 56 88.323 0.652 4.462 291 HA ALA 56 HA ALA 56 87.235 -1.706 5.095 292 1HB ALA 56 HB1 ALA 56 89.579 -1.707 3.230 293 2HB ALA 56 HB2 ALA 56 88.096 -0.841 2.829 294 3HB ALA 56 HB3 ALA 56 88.054 -2.584 3.101 295 H MET 57 HN MET 57 90.782 -1.348 4.929 296 HA MET 57 HA MET 57 91.063 -3.736 6.609 297 1HB MET 57 HB2 MET 57 93.279 -2.262 5.193 298 2HB MET 57 HB1 MET 57 93.299 -3.905 5.813 299 1HG MET 57 HG2 MET 57 91.661 -2.908 3.493 300 2HG MET 57 HG1 MET 57 93.135 -3.869 3.398 301 1HE MET 57 HE1 MET 57 92.157 -7.362 4.480 302 2HE MET 57 HE2 MET 57 92.991 -6.146 5.450 303 3HE MET 57 HE3 MET 57 93.348 -6.300 3.729 304 H HIS 58 HN HIS 58 93.618 -3.262 7.626 305 HA HIS 58 HA HIS 58 93.203 -0.967 9.422 306 1HB HIS 58 HB2 HIS 58 92.728 -3.347 10.360 307 2HB HIS 58 HB1 HIS 58 94.482 -3.510 10.380 308 HD2 HIS 58 HD2 HIS 58 91.692 -1.361 12.098 309 HE1 HIS 58 HE1 HIS 58 95.279 -1.090 14.326 310 HE2 HIS 58 HE2 HIS 58 92.857 -0.353 14.184 311 H GLU 59 HN GLU 59 95.518 -3.127 7.852 312 HA GLU 59 HA GLU 59 97.922 -2.271 8.813 313 1HB GLU 59 HB2 GLU 59 96.998 -3.293 6.195 314 2HB GLU 59 HB1 GLU 59 98.556 -2.479 6.190 315 1HG GLU 59 HG2 GLU 59 99.127 -4.021 8.168 316 2HG GLU 59 HG1 GLU 59 97.739 -4.967 7.632 317 H ASN 60 HN ASN 60 97.324 -1.042 5.572 318 HA ASN 60 HA ASN 60 98.295 1.573 6.441 319 1HB ASN 60 HB2 ASN 60 99.020 0.139 4.295 320 2HB ASN 60 HB1 ASN 60 97.675 1.024 3.578 321 1HD2 ASN 60 1HD2 ASN 60 100.656 1.451 5.422 322 2HD2 ASN 60 2HD2 ASN 60 101.054 3.004 4.754 323 H VAL 61 HN VAL 61 95.911 1.184 7.472 324 HA VAL 61 HA VAL 61 94.037 2.683 5.763 325 HB VAL 61 HB VAL 61 93.421 0.646 7.911 326 1HG1 VAL 61 1HG1 VAL 61 91.661 2.405 6.243 327 2HG1 VAL 61 2HG1 VAL 61 91.632 2.140 7.986 328 3HG1 VAL 61 3HG1 VAL 61 91.084 0.869 6.889 329 1HG2 VAL 61 1HG2 VAL 61 93.969 -0.730 6.212 330 2HG2 VAL 61 2HG2 VAL 61 93.719 0.509 4.981 331 3HG2 VAL 61 3HG2 VAL 61 92.337 -0.348 5.667 332 H LEU 62 HN LEU 62 92.375 3.937 7.098 333 HA LEU 62 HA LEU 62 91.941 5.610 8.567 334 1HB LEU 62 HB2 LEU 62 93.796 4.177 10.463 335 2HB LEU 62 HB1 LEU 62 92.530 5.315 10.880 336 HG LEU 62 HG LEU 62 91.166 3.321 9.522 337 1HD1 LEU 62 1HD1 LEU 62 91.984 1.348 11.078 338 2HD1 LEU 62 2HD1 LEU 62 93.524 2.195 10.940 339 3HD1 LEU 62 3HD1 LEU 62 92.700 1.627 9.491 340 1HD2 LEU 62 1HD2 LEU 62 91.597 3.848 12.453 341 2HD2 LEU 62 2HD2 LEU 62 90.426 2.675 11.849 342 3HD2 LEU 62 3HD2 LEU 62 90.260 4.381 11.434 343 H LYS 63 HN LYS 63 94.459 5.551 6.847 344 HA LYS 63 HA LYS 63 96.448 7.038 8.224 345 1HB LYS 63 HB2 LYS 63 95.926 6.211 5.427 346 2HB LYS 63 HB1 LYS 63 96.942 7.630 5.638 347 1HG LYS 63 HG2 LYS 63 97.457 4.994 6.991 348 2HG LYS 63 HG1 LYS 63 98.172 5.468 5.448 349 1HD LYS 63 HD2 LYS 63 99.446 7.156 6.417 350 2HD LYS 63 HD1 LYS 63 98.419 7.241 7.849 351 1HE LYS 63 HE2 LYS 63 99.357 5.340 8.791 352 2HE LYS 63 HE1 LYS 63 99.958 4.747 7.243 353 1HZ LYS 63 HZ1 LYS 63 101.865 5.828 7.521 354 2HZ LYS 63 HZ2 LYS 63 101.402 6.097 9.126 355 3HZ LYS 63 HZ3 LYS 63 101.095 7.273 7.949 Start of MODEL 8 1 H ARG 16 HN ARG 16 96.723 -12.158 -5.770 2 HA ARG 16 HA ARG 16 96.787 -13.684 -3.385 3 1HB ARG 16 HB2 ARG 16 97.954 -11.019 -3.288 4 2HB ARG 16 HB1 ARG 16 96.615 -11.192 -2.164 5 1HG ARG 16 HG2 ARG 16 97.987 -13.489 -1.705 6 2HG ARG 16 HG1 ARG 16 99.294 -12.372 -2.101 7 1HD ARG 16 HD2 ARG 16 99.092 -11.301 -0.154 8 2HD ARG 16 HD1 ARG 16 97.344 -11.173 -0.322 9 HE ARG 16 HE ARG 16 97.097 -13.195 0.836 10 1HH1 ARG 16 1HH1 ARG 16 100.464 -12.308 0.506 11 2HH1 ARG 16 2HH1 ARG 16 100.994 -13.391 1.746 12 1HH2 ARG 16 1HH2 ARG 16 97.802 -14.618 2.460 13 2HH2 ARG 16 2HH2 ARG 16 99.488 -14.705 2.851 14 H GLU 17 HN GLU 17 94.813 -13.640 -2.275 15 HA GLU 17 HA GLU 17 92.640 -12.413 -3.798 16 1HB GLU 17 HB2 GLU 17 92.785 -14.659 -1.809 17 2HB GLU 17 HB1 GLU 17 91.246 -13.898 -2.188 18 1HG GLU 17 HG2 GLU 17 92.245 -14.395 -4.672 19 2HG GLU 17 HG1 GLU 17 92.862 -15.766 -3.749 20 H SER 18 HN SER 18 92.910 -10.267 -3.046 21 HA SER 18 HA SER 18 91.590 -9.790 -0.501 22 1HB SER 18 HB2 SER 18 94.075 -9.883 -0.039 23 2HB SER 18 HB1 SER 18 94.246 -8.464 -1.072 24 HG SER 18 HG SER 18 92.767 -8.677 1.337 25 H LYS 19 HN LYS 19 91.166 -7.396 -0.201 26 HA LYS 19 HA LYS 19 91.299 -5.705 -2.474 27 1HB LYS 19 HB2 LYS 19 88.903 -5.475 -2.890 28 2HB LYS 19 HB1 LYS 19 89.460 -7.108 -3.229 29 1HG LYS 19 HG2 LYS 19 88.026 -6.247 -0.725 30 2HG LYS 19 HG1 LYS 19 87.284 -7.060 -2.100 31 1HD LYS 19 HD2 LYS 19 89.261 -8.784 -1.622 32 2HD LYS 19 HD1 LYS 19 89.077 -8.128 0.006 33 1HE LYS 19 HE2 LYS 19 86.633 -8.949 -1.481 34 2HE LYS 19 HE1 LYS 19 87.674 -10.210 -0.820 35 1HZ LYS 19 HZ1 LYS 19 87.510 -8.929 1.345 36 2HZ LYS 19 HZ2 LYS 19 86.122 -9.756 0.846 37 3HZ LYS 19 HZ3 LYS 19 86.227 -8.081 0.638 38 H CYS 20 HN CYS 20 89.471 -3.844 -2.009 39 HA CYS 20 HA CYS 20 90.135 -2.849 0.670 40 1HB CYS 20 HB2 CYS 20 90.830 -1.533 -1.309 41 2HB CYS 20 HB1 CYS 20 89.143 -1.360 -1.764 42 HA PRO 21 HA PRO 21 85.503 -3.480 0.751 43 1HB PRO 21 HB2 PRO 21 85.288 -5.161 2.817 44 2HB PRO 21 HB1 PRO 21 85.701 -5.745 1.199 45 1HG PRO 21 HG2 PRO 21 87.507 -5.192 3.526 46 2HG PRO 21 HG1 PRO 21 87.498 -6.585 2.429 47 1HD PRO 21 HD2 PRO 21 89.209 -4.467 2.165 48 2HD PRO 21 HD1 PRO 21 88.662 -5.465 0.806 49 H THR 22 HN THR 22 85.961 -1.122 1.459 50 HA THR 22 HA THR 22 86.023 -0.778 4.348 51 HB THR 22 HB THR 22 85.768 1.229 2.118 52 HG1 THR 22 HG1 THR 22 87.825 1.025 1.932 53 1HG2 THR 22 1HG2 THR 22 86.298 2.944 3.640 54 2HG2 THR 22 2HG2 THR 22 86.607 1.787 4.932 55 3HG2 THR 22 3HG2 THR 22 84.964 2.030 4.343 56 HA PRO 23 HA PRO 23 81.718 -0.830 5.301 57 1HB PRO 23 HB2 PRO 23 82.244 2.000 6.146 58 2HB PRO 23 HB1 PRO 23 81.313 0.741 6.968 59 1HG PRO 23 HG2 PRO 23 83.827 1.322 7.698 60 2HG PRO 23 HG1 PRO 23 83.197 -0.333 7.755 61 1HD PRO 23 HD2 PRO 23 85.187 0.847 5.940 62 2HD PRO 23 HD1 PRO 23 84.882 -0.856 6.319 63 H GLY 24 HN GLY 24 83.099 1.849 3.454 64 1HA GLY 24 HA2 GLY 24 80.628 1.898 1.886 65 2HA GLY 24 HA1 GLY 24 81.194 3.404 2.578 66 H CYS 25 HN CYS 25 84.070 2.032 1.868 67 HA CYS 25 HA CYS 25 84.637 3.694 -0.246 68 1HB CYS 25 HB2 CYS 25 86.413 2.344 1.013 69 2HB CYS 25 HB1 CYS 25 85.955 0.979 -0.034 70 H ASP 26 HN ASP 26 84.874 3.426 -2.526 71 HA ASP 26 HA ASP 26 82.852 1.586 -3.600 72 1HB ASP 26 HB2 ASP 26 82.706 4.086 -4.010 73 2HB ASP 26 HB1 ASP 26 84.133 3.917 -5.026 74 H GLY 27 HN GLY 27 86.167 2.711 -4.167 75 1HA GLY 27 HA2 GLY 27 87.940 1.297 -4.850 76 2HA GLY 27 HA1 GLY 27 86.757 0.139 -5.412 77 H THR 28 HN THR 28 87.412 3.506 -6.034 78 HA THR 28 HA THR 28 88.046 3.039 -8.767 79 HB THR 28 HB THR 28 85.388 3.750 -7.949 80 HG1 THR 28 HG1 THR 28 86.102 2.273 -9.638 81 1HG2 THR 28 1HG2 THR 28 86.739 5.759 -9.725 82 2HG2 THR 28 2HG2 THR 28 85.876 6.055 -8.216 83 3HG2 THR 28 3HG2 THR 28 84.993 5.528 -9.649 84 H GLY 29 HN GLY 29 89.525 4.482 -9.437 85 1HA GLY 29 HA2 GLY 29 90.480 6.616 -9.673 86 2HA GLY 29 HA1 GLY 29 89.578 7.164 -8.270 87 H HIS 30 HN HIS 30 91.364 4.199 -8.118 88 HA HIS 30 HA HIS 30 92.815 3.664 -6.312 89 1HB HIS 30 HB2 HIS 30 93.672 3.861 -8.758 90 2HB HIS 30 HB1 HIS 30 94.702 5.100 -8.110 91 HD2 HIS 30 HD2 HIS 30 94.085 1.246 -7.747 92 HE1 HIS 30 HE1 HIS 30 98.041 2.174 -6.588 93 HE2 HIS 30 HE2 HIS 30 96.435 0.317 -7.191 94 H VAL 31 HN VAL 31 95.253 4.740 -5.663 95 HA VAL 31 HA VAL 31 94.555 6.620 -3.670 96 HB VAL 31 HB VAL 31 96.476 5.122 -3.414 97 1HG1 VAL 31 1HG1 VAL 31 98.631 5.861 -4.584 98 2HG1 VAL 31 2HG1 VAL 31 97.568 6.701 -5.713 99 3HG1 VAL 31 3HG1 VAL 31 97.448 4.952 -5.525 100 1HG2 VAL 31 1HG2 VAL 31 97.258 8.033 -3.342 101 2HG2 VAL 31 2HG2 VAL 31 98.048 6.726 -2.459 102 3HG2 VAL 31 3HG2 VAL 31 96.383 7.164 -2.080 103 H THR 32 HN THR 32 95.862 7.124 -6.930 104 HA THR 32 HA THR 32 95.808 10.016 -6.396 105 HB THR 32 HB THR 32 97.561 10.307 -7.969 106 HG1 THR 32 HG1 THR 32 98.328 8.320 -9.097 107 1HG2 THR 32 1HG2 THR 32 98.627 7.755 -6.978 108 2HG2 THR 32 2HG2 THR 32 98.085 8.898 -5.747 109 3HG2 THR 32 3HG2 THR 32 99.314 9.378 -6.918 110 H GLY 33 HN GLY 33 94.080 7.611 -7.823 111 1HA GLY 33 HA2 GLY 33 92.351 7.658 -9.333 112 2HA GLY 33 HA1 GLY 33 92.570 9.394 -9.402 113 H LEU 34 HN LEU 34 95.404 7.675 -9.903 114 HA LEU 34 HA LEU 34 95.275 8.257 -12.757 115 1HB LEU 34 HB2 LEU 34 97.703 7.615 -11.110 116 2HB LEU 34 HB1 LEU 34 97.670 8.226 -12.761 117 HG LEU 34 HG LEU 34 96.458 9.720 -10.485 118 1HD1 LEU 34 1HD1 LEU 34 99.003 10.783 -11.391 119 2HD1 LEU 34 2HD1 LEU 34 99.175 9.170 -10.697 120 3HD1 LEU 34 3HD1 LEU 34 98.439 10.463 -9.751 121 1HD2 LEU 34 1HD2 LEU 34 96.194 11.454 -11.930 122 2HD2 LEU 34 2HD2 LEU 34 96.108 10.122 -13.083 123 3HD2 LEU 34 3HD2 LEU 34 97.613 11.022 -12.885 124 H TYR 35 HN TYR 35 94.574 5.828 -10.788 125 HA TYR 35 HA TYR 35 95.698 3.785 -12.600 126 1HB TYR 35 HB2 TYR 35 94.720 3.335 -9.796 127 2HB TYR 35 HB1 TYR 35 95.559 2.179 -10.805 128 HD1 TYR 35 HD1 TYR 35 96.229 5.705 -9.809 129 HD2 TYR 35 HD2 TYR 35 97.651 1.717 -9.919 130 HE1 TYR 35 HE1 TYR 35 98.352 6.445 -8.821 131 HE2 TYR 35 HE2 TYR 35 99.785 2.438 -8.951 132 HH TYR 35 HH TYR 35 101.054 4.970 -8.968 133 HA PRO 36 HA PRO 36 91.525 2.816 -13.682 134 1HB PRO 36 HB2 PRO 36 91.568 0.138 -14.064 135 2HB PRO 36 HB1 PRO 36 92.362 1.260 -15.175 136 1HG PRO 36 HG2 PRO 36 93.548 -0.405 -12.992 137 2HG PRO 36 HG1 PRO 36 94.173 -0.079 -14.618 138 1HD PRO 36 HD2 PRO 36 95.053 1.210 -12.374 139 2HD PRO 36 HD1 PRO 36 95.089 1.931 -13.995 140 H HIS 37 HN HIS 37 91.859 3.188 -10.928 141 HA HIS 37 HA HIS 37 90.423 2.939 -9.143 142 1HB HIS 37 HB2 HIS 37 89.740 0.121 -9.928 143 2HB HIS 37 HB1 HIS 37 88.843 1.237 -8.911 144 HD2 HIS 37 HD2 HIS 37 88.761 3.692 -11.167 145 HE1 HIS 37 HE1 HIS 37 86.589 0.797 -13.356 146 HE2 HIS 37 HE2 HIS 37 87.282 3.232 -13.247 147 H HIS 38 HN HIS 38 90.314 1.030 -7.388 148 HA HIS 38 HA HIS 38 92.979 -0.172 -7.249 149 1HB HIS 38 HB2 HIS 38 93.192 0.432 -4.886 150 2HB HIS 38 HB1 HIS 38 93.080 1.858 -5.905 151 HD1 HIS 38 HD1 HIS 38 91.049 3.381 -5.574 152 HD2 HIS 38 HD2 HIS 38 91.021 -0.015 -3.201 153 HE1 HIS 38 HE1 HIS 38 89.204 3.727 -3.852 154 H ARG 39 HN ARG 39 89.811 -0.003 -5.688 155 HA ARG 39 HA ARG 39 88.676 -1.560 -4.449 156 1HB ARG 39 HB2 ARG 39 87.849 -3.351 -5.815 157 2HB ARG 39 HB1 ARG 39 88.020 -1.919 -6.817 158 1HG ARG 39 HG2 ARG 39 90.421 -3.501 -6.905 159 2HG ARG 39 HG1 ARG 39 89.013 -4.477 -7.314 160 1HD ARG 39 HD2 ARG 39 88.430 -3.086 -9.108 161 2HD ARG 39 HD1 ARG 39 89.466 -1.777 -8.542 162 HE ARG 39 HE ARG 39 91.188 -2.722 -9.693 163 1HH1 ARG 39 1HH1 ARG 39 88.758 -5.172 -9.161 164 2HH1 ARG 39 2HH1 ARG 39 89.569 -6.363 -10.121 165 1HH2 ARG 39 1HH2 ARG 39 92.253 -4.285 -10.959 166 2HH2 ARG 39 2HH2 ARG 39 91.554 -5.859 -11.143 167 H SER 40 HN SER 40 91.583 -1.632 -3.929 168 HA SER 40 HA SER 40 91.588 -4.145 -2.580 169 1HB SER 40 HB2 SER 40 93.247 -5.291 -3.646 170 2HB SER 40 HB1 SER 40 92.512 -4.454 -5.015 171 HG SER 40 HG SER 40 94.420 -3.647 -5.329 172 H LEU 41 HN LEU 41 92.279 -0.985 -2.446 173 HA LEU 41 HA LEU 41 93.232 0.200 -0.756 174 1HB LEU 41 HB2 LEU 41 94.777 -2.191 0.172 175 2HB LEU 41 HB1 LEU 41 94.234 -0.802 1.096 176 HG LEU 41 HG LEU 41 91.980 -2.255 -0.004 177 1HD1 LEU 41 1HD1 LEU 41 92.513 -4.098 1.884 178 2HD1 LEU 41 2HD1 LEU 41 94.137 -3.815 1.256 179 3HD1 LEU 41 3HD1 LEU 41 92.847 -4.329 0.168 180 1HD2 LEU 41 1HD2 LEU 41 92.828 -1.726 2.825 181 2HD2 LEU 41 2HD2 LEU 41 91.213 -2.166 2.275 182 3HD2 LEU 41 3HD2 LEU 41 91.908 -0.610 1.820 183 H SER 42 HN SER 42 95.073 -1.808 -2.897 184 HA SER 42 HA SER 42 97.659 -0.962 -2.500 185 1HB SER 42 HB2 SER 42 98.040 -1.388 -4.886 186 2HB SER 42 HB1 SER 42 97.003 -2.637 -4.198 187 HG SER 42 HG SER 42 95.265 -1.763 -5.209 188 H GLY 43 HN GLY 43 94.940 0.812 -3.707 189 1HA GLY 43 HA2 GLY 43 96.642 3.172 -4.067 190 2HA GLY 43 HA1 GLY 43 95.272 2.836 -5.098 191 H CYS 44 HN CYS 44 93.212 3.031 -4.326 192 HA CYS 44 HA CYS 44 91.542 4.154 -3.202 193 1HB CYS 44 HB2 CYS 44 92.411 2.325 -1.524 194 2HB CYS 44 HB1 CYS 44 93.011 3.714 -0.627 195 HA PRO 45 HA PRO 45 93.547 8.180 -2.500 196 1HB PRO 45 HB2 PRO 45 91.917 9.652 -3.945 197 2HB PRO 45 HB1 PRO 45 92.930 8.446 -4.748 198 1HG PRO 45 HG2 PRO 45 90.017 8.340 -4.086 199 2HG PRO 45 HG1 PRO 45 90.862 7.719 -5.513 200 1HD PRO 45 HD2 PRO 45 90.118 6.249 -3.205 201 2HD PRO 45 HD1 PRO 45 91.169 5.693 -4.521 202 H HIS 46 HN HIS 46 91.025 6.915 -0.950 203 HA HIS 46 HA HIS 46 89.683 9.351 -0.166 204 1HB HIS 46 HB2 HIS 46 89.299 6.609 1.011 205 2HB HIS 46 HB1 HIS 46 88.172 7.952 1.007 206 HD2 HIS 46 HD2 HIS 46 88.504 4.758 -0.677 207 HE1 HIS 46 HE1 HIS 46 86.692 7.253 -3.547 208 HE2 HIS 46 HE2 HIS 46 87.066 4.865 -2.822 209 H LYS 47 HN LYS 47 90.975 6.740 1.889 210 HA LYS 47 HA LYS 47 91.913 6.760 3.941 211 1HB LYS 47 HB2 LYS 47 93.912 8.135 4.203 212 2HB LYS 47 HB1 LYS 47 93.865 7.375 2.620 213 1HG LYS 47 HG2 LYS 47 93.199 9.456 1.599 214 2HG LYS 47 HG1 LYS 47 93.106 10.237 3.177 215 1HD LYS 47 HD2 LYS 47 95.669 8.930 2.599 216 2HD LYS 47 HD1 LYS 47 95.278 10.281 1.533 217 1HE LYS 47 HE2 LYS 47 95.512 11.807 3.174 218 2HE LYS 47 HE1 LYS 47 94.784 10.759 4.392 219 1HZ LYS 47 HZ1 LYS 47 97.098 9.503 3.930 220 2HZ LYS 47 HZ2 LYS 47 96.877 10.652 5.152 221 3HZ LYS 47 HZ3 LYS 47 97.569 11.109 3.678 222 H ASP 48 HN ASP 48 89.611 7.569 4.479 223 HA ASP 48 HA ASP 48 90.014 9.807 6.320 224 1HB ASP 48 HB2 ASP 48 88.869 10.540 4.092 225 2HB ASP 48 HB1 ASP 48 87.451 9.747 4.763 226 H ARG 49 HN ARG 49 89.406 6.736 6.051 227 HA ARG 49 HA ARG 49 88.408 5.151 7.322 228 1HB ARG 49 HB2 ARG 49 88.565 5.503 9.543 229 2HB ARG 49 HB1 ARG 49 89.321 7.008 9.053 230 1HG ARG 49 HG2 ARG 49 86.828 7.883 9.142 231 2HG ARG 49 HG1 ARG 49 86.644 6.520 10.244 232 1HD ARG 49 HD2 ARG 49 88.314 7.364 11.703 233 2HD ARG 49 HD1 ARG 49 88.819 8.580 10.531 234 HE ARG 49 HE ARG 49 86.252 9.240 10.981 235 1HH1 ARG 49 1HH1 ARG 49 88.909 8.559 13.144 236 2HH1 ARG 49 2HH1 ARG 49 88.323 9.606 14.393 237 1HH2 ARG 49 1HH2 ARG 49 85.484 10.620 12.624 238 2HH2 ARG 49 2HH2 ARG 49 86.380 10.776 14.098 239 H VAL 50 HN VAL 50 86.354 5.006 8.980 240 HA VAL 50 HA VAL 50 84.183 4.296 8.611 241 HB VAL 50 HB VAL 50 84.090 7.233 9.247 242 1HG1 VAL 50 1HG1 VAL 50 81.891 5.410 8.642 243 2HG1 VAL 50 2HG1 VAL 50 81.894 7.166 8.797 244 3HG1 VAL 50 3HG1 VAL 50 81.764 6.155 10.235 245 1HG2 VAL 50 1HG2 VAL 50 84.548 4.769 10.721 246 2HG2 VAL 50 2HG2 VAL 50 83.278 5.769 11.426 247 3HG2 VAL 50 3HG2 VAL 50 84.889 6.440 11.170 248 HA PRO 51 HA PRO 51 81.767 6.763 5.235 249 1HB PRO 51 HB2 PRO 51 83.373 8.686 3.965 250 2HB PRO 51 HB1 PRO 51 82.033 9.006 5.069 251 1HG PRO 51 HG2 PRO 51 84.962 8.944 5.607 252 2HG PRO 51 HG1 PRO 51 83.709 9.982 6.311 253 1HD PRO 51 HD2 PRO 51 84.749 7.944 7.688 254 2HD PRO 51 HD1 PRO 51 83.022 8.344 7.810 255 HA PRO 52 HA PRO 52 83.372 4.519 1.807 256 1HB PRO 52 HB2 PRO 52 83.093 6.861 -0.002 257 2HB PRO 52 HB1 PRO 52 82.409 5.240 -0.154 258 1HG PRO 52 HG2 PRO 52 80.876 7.302 0.548 259 2HG PRO 52 HG1 PRO 52 80.648 5.704 1.285 260 1HD PRO 52 HD2 PRO 52 81.972 8.140 2.407 261 2HD PRO 52 HD1 PRO 52 80.937 6.945 3.216 262 H GLU 53 HN GLU 53 85.516 4.757 2.943 263 HA GLU 53 HA GLU 53 87.356 6.146 1.211 264 1HB GLU 53 HB2 GLU 53 87.732 6.064 4.186 265 2HB GLU 53 HB1 GLU 53 88.604 7.047 3.016 266 1HG GLU 53 HG2 GLU 53 85.667 7.371 3.507 267 2HG GLU 53 HG1 GLU 53 86.869 8.165 4.501 268 H ILE 54 HN ILE 54 88.689 4.705 3.983 269 HA ILE 54 HA ILE 54 89.261 2.166 2.719 270 HB ILE 54 HB ILE 54 91.699 3.064 3.923 271 1HG1 ILE 54 2HG1 ILE 54 90.818 4.815 1.623 272 2HG1 ILE 54 1HG1 ILE 54 90.878 5.334 3.303 273 1HG2 ILE 54 1HG2 ILE 54 92.092 1.419 2.454 274 2HG2 ILE 54 2HG2 ILE 54 92.321 2.756 1.327 275 3HG2 ILE 54 3HG2 ILE 54 90.779 1.904 1.391 276 1HD1 ILE 54 1HD1 ILE 54 92.838 5.909 1.751 277 2HD1 ILE 54 2HD1 ILE 54 93.305 4.222 1.964 278 3HD1 ILE 54 3HD1 ILE 54 93.192 5.289 3.363 279 H LEU 55 HN LEU 55 87.876 3.481 5.125 280 HA LEU 55 HA LEU 55 89.052 3.104 7.522 281 1HB LEU 55 HB2 LEU 55 86.745 3.794 7.305 282 2HB LEU 55 HB1 LEU 55 86.286 2.201 6.759 283 HG LEU 55 HG LEU 55 85.750 2.853 9.184 284 1HD1 LEU 55 1HD1 LEU 55 85.505 0.668 9.570 285 2HD1 LEU 55 2HD1 LEU 55 87.224 0.337 9.355 286 3HD1 LEU 55 3HD1 LEU 55 86.166 0.454 7.949 287 1HD2 LEU 55 1HD2 LEU 55 87.377 3.055 10.731 288 2HD2 LEU 55 2HD2 LEU 55 88.359 3.516 9.341 289 3HD2 LEU 55 3HD2 LEU 55 88.416 1.863 9.954 290 H ALA 56 HN ALA 56 88.090 0.599 5.373 291 HA ALA 56 HA ALA 56 88.854 -1.451 7.269 292 1HB ALA 56 HB1 ALA 56 86.685 -1.616 6.023 293 2HB ALA 56 HB2 ALA 56 87.730 -3.033 5.918 294 3HB ALA 56 HB3 ALA 56 87.637 -1.904 4.566 295 H MET 57 HN MET 57 91.100 -0.303 6.732 296 HA MET 57 HA MET 57 92.313 -1.656 4.430 297 1HB MET 57 HB2 MET 57 92.542 0.947 5.201 298 2HB MET 57 HB1 MET 57 93.963 0.246 5.961 299 1HG MET 57 HG2 MET 57 94.632 -0.667 3.753 300 2HG MET 57 HG1 MET 57 93.266 0.174 3.031 301 1HE MET 57 HE1 MET 57 94.312 2.159 1.443 302 2HE MET 57 HE2 MET 57 95.385 0.761 1.514 303 3HE MET 57 HE3 MET 57 96.047 2.390 1.661 304 H HIS 58 HN HIS 58 94.686 -2.295 4.827 305 HA HIS 58 HA HIS 58 94.824 -3.725 7.398 306 1HB HIS 58 HB2 HIS 58 95.952 -4.583 4.725 307 2HB HIS 58 HB1 HIS 58 96.086 -5.480 6.234 308 HD2 HIS 58 HD2 HIS 58 93.359 -6.102 7.300 309 HE1 HIS 58 HE1 HIS 58 91.940 -6.532 3.336 310 HE2 HIS 58 HE2 HIS 58 91.384 -6.844 5.790 311 H GLU 59 HN GLU 59 96.402 -1.534 5.266 312 HA GLU 59 HA GLU 59 98.908 -1.779 6.780 313 1HB GLU 59 HB2 GLU 59 98.262 -1.081 3.998 314 2HB GLU 59 HB1 GLU 59 99.473 -0.047 4.743 315 1HG GLU 59 HG2 GLU 59 100.746 -1.708 3.782 316 2HG GLU 59 HG1 GLU 59 100.593 -2.260 5.450 317 H ASN 60 HN ASN 60 96.740 0.709 5.422 318 HA ASN 60 HA ASN 60 97.422 2.414 7.721 319 1HB ASN 60 HB2 ASN 60 97.242 3.270 4.826 320 2HB ASN 60 HB1 ASN 60 97.316 4.389 6.184 321 1HD2 ASN 60 1HD2 ASN 60 99.126 3.499 3.835 322 2HD2 ASN 60 2HD2 ASN 60 100.682 3.347 4.589 323 H VAL 61 HN VAL 61 95.394 1.506 8.538 324 HA VAL 61 HA VAL 61 92.916 2.020 7.238 325 HB VAL 61 HB VAL 61 91.887 1.469 9.419 326 1HG1 VAL 61 1HG1 VAL 61 93.730 -0.230 7.931 327 2HG1 VAL 61 2HG1 VAL 61 92.079 -0.542 8.466 328 3HG1 VAL 61 3HG1 VAL 61 93.427 -0.795 9.574 329 1HG2 VAL 61 1HG2 VAL 61 93.274 0.823 11.308 330 2HG2 VAL 61 2HG2 VAL 61 93.597 2.496 10.854 331 3HG2 VAL 61 3HG2 VAL 61 94.730 1.226 10.397 332 H LEU 62 HN LEU 62 91.336 3.581 7.712 333 HA LEU 62 HA LEU 62 90.505 5.601 8.315 334 1HB LEU 62 HB2 LEU 62 92.720 5.836 10.336 335 2HB LEU 62 HB1 LEU 62 91.155 6.626 10.361 336 HG LEU 62 HG LEU 62 90.883 3.731 10.362 337 1HD1 LEU 62 1HD1 LEU 62 92.039 3.091 12.204 338 2HD1 LEU 62 2HD1 LEU 62 91.985 4.696 12.935 339 3HD1 LEU 62 3HD1 LEU 62 93.135 4.353 11.643 340 1HD2 LEU 62 1HD2 LEU 62 89.485 5.949 11.230 341 2HD2 LEU 62 2HD2 LEU 62 90.010 5.172 12.722 342 3HD2 LEU 62 3HD2 LEU 62 89.071 4.263 11.536 343 H LYS 63 HN LYS 63 94.014 5.981 8.817 344 HA LYS 63 HA LYS 63 94.077 7.862 6.572 345 1HB LYS 63 HB2 LYS 63 93.809 9.107 8.751 346 2HB LYS 63 HB1 LYS 63 95.378 8.475 9.227 347 1HG LYS 63 HG2 LYS 63 96.263 9.539 7.083 348 2HG LYS 63 HG1 LYS 63 94.730 10.411 7.034 349 1HD LYS 63 HD2 LYS 63 96.084 10.472 9.636 350 2HD LYS 63 HD1 LYS 63 96.969 11.265 8.332 351 1HE LYS 63 HE2 LYS 63 94.073 11.847 8.555 352 2HE LYS 63 HE1 LYS 63 95.127 12.520 9.799 353 1HZ LYS 63 HZ1 LYS 63 95.974 12.842 7.026 354 2HZ LYS 63 HZ2 LYS 63 96.126 13.904 8.334 355 3HZ LYS 63 HZ3 LYS 63 94.645 13.762 7.530 Start of MODEL 9 1 H ARG 16 HN ARG 16 100.229 -10.753 -1.038 2 HA ARG 16 HA ARG 16 97.644 -12.110 -0.944 3 1HB ARG 16 HB2 ARG 16 100.093 -12.249 0.571 4 2HB ARG 16 HB1 ARG 16 98.738 -11.945 1.648 5 1HG ARG 16 HG2 ARG 16 98.379 -14.133 1.623 6 2HG ARG 16 HG1 ARG 16 97.804 -13.929 -0.032 7 1HD ARG 16 HD2 ARG 16 100.681 -14.046 0.034 8 2HD ARG 16 HD1 ARG 16 99.988 -15.448 0.845 9 HE ARG 16 HE ARG 16 98.793 -14.865 -1.707 10 1HH1 ARG 16 1HH1 ARG 16 101.380 -16.538 -0.066 11 2HH1 ARG 16 2HH1 ARG 16 101.604 -17.695 -1.333 12 1HH2 ARG 16 1HH2 ARG 16 99.085 -16.386 -3.374 13 2HH2 ARG 16 2HH2 ARG 16 100.303 -17.609 -3.212 14 H GLU 17 HN GLU 17 95.991 -10.699 -0.910 15 HA GLU 17 HA GLU 17 95.657 -9.007 1.379 16 1HB GLU 17 HB2 GLU 17 96.533 -7.870 -1.192 17 2HB GLU 17 HB1 GLU 17 95.132 -7.078 -0.483 18 1HG GLU 17 HG2 GLU 17 96.338 -6.118 1.130 19 2HG GLU 17 HG1 GLU 17 97.286 -7.577 1.422 20 H SER 18 HN SER 18 93.593 -7.446 0.706 21 HA SER 18 HA SER 18 91.633 -9.168 -0.646 22 1HB SER 18 HB2 SER 18 91.360 -7.925 2.094 23 2HB SER 18 HB1 SER 18 89.981 -8.512 1.166 24 HG SER 18 HG SER 18 90.870 -10.575 1.214 25 H LYS 19 HN LYS 19 89.451 -7.844 -0.788 26 HA LYS 19 HA LYS 19 90.097 -5.493 -2.261 27 1HB LYS 19 HB2 LYS 19 87.302 -6.394 -1.678 28 2HB LYS 19 HB1 LYS 19 87.916 -5.518 -3.073 29 1HG LYS 19 HG2 LYS 19 89.156 -8.129 -2.773 30 2HG LYS 19 HG1 LYS 19 87.401 -8.220 -2.940 31 1HD LYS 19 HD2 LYS 19 87.726 -6.592 -4.912 32 2HD LYS 19 HD1 LYS 19 89.423 -7.075 -4.838 33 1HE LYS 19 HE2 LYS 19 88.249 -9.492 -4.784 34 2HE LYS 19 HE1 LYS 19 87.042 -8.596 -5.705 35 1HZ LYS 19 HZ1 LYS 19 88.355 -9.115 -7.427 36 2HZ LYS 19 HZ2 LYS 19 89.711 -9.412 -6.461 37 3HZ LYS 19 HZ3 LYS 19 89.314 -7.826 -6.896 38 H CYS 20 HN CYS 20 89.884 -3.503 -1.706 39 HA CYS 20 HA CYS 20 89.467 -2.733 0.994 40 1HB CYS 20 HB2 CYS 20 91.071 -1.529 -0.329 41 2HB CYS 20 HB1 CYS 20 89.849 -1.123 -1.530 42 HA PRO 21 HA PRO 21 85.501 -0.682 -1.264 43 1HB PRO 21 HB2 PRO 21 84.711 -3.351 -2.341 44 2HB PRO 21 HB1 PRO 21 84.364 -1.737 -2.974 45 1HG PRO 21 HG2 PRO 21 86.258 -3.251 -4.069 46 2HG PRO 21 HG1 PRO 21 86.471 -1.499 -3.899 47 1HD PRO 21 HD2 PRO 21 87.720 -3.719 -2.369 48 2HD PRO 21 HD1 PRO 21 88.362 -2.109 -2.750 49 H THR 22 HN THR 22 85.396 -0.754 1.105 50 HA THR 22 HA THR 22 83.960 -3.023 2.233 51 HB THR 22 HB THR 22 85.859 -1.393 3.265 52 HG1 THR 22 HG1 THR 22 84.953 -3.391 4.108 53 1HG2 THR 22 1HG2 THR 22 83.334 -0.373 4.531 54 2HG2 THR 22 2HG2 THR 22 84.325 0.545 3.401 55 3HG2 THR 22 3HG2 THR 22 84.993 0.042 4.954 56 HA PRO 23 HA PRO 23 79.772 -1.603 2.521 57 1HB PRO 23 HB2 PRO 23 80.323 -0.344 5.187 58 2HB PRO 23 HB1 PRO 23 78.936 -1.314 4.671 59 1HG PRO 23 HG2 PRO 23 80.869 -2.417 6.120 60 2HG PRO 23 HG1 PRO 23 80.121 -3.312 4.784 61 1HD PRO 23 HD2 PRO 23 82.804 -2.060 4.954 62 2HD PRO 23 HD1 PRO 23 82.275 -3.468 4.014 63 H GLY 24 HN GLY 24 82.303 0.681 3.285 64 1HA GLY 24 HA2 GLY 24 80.591 2.903 2.426 65 2HA GLY 24 HA1 GLY 24 82.070 3.064 3.352 66 H CYS 25 HN CYS 25 84.110 2.182 2.097 67 HA CYS 25 HA CYS 25 84.586 3.823 -0.047 68 1HB CYS 25 HB2 CYS 25 86.417 2.519 1.131 69 2HB CYS 25 HB1 CYS 25 85.896 1.099 0.202 70 H ASP 26 HN ASP 26 84.817 3.467 -2.353 71 HA ASP 26 HA ASP 26 82.766 1.610 -3.347 72 1HB ASP 26 HB2 ASP 26 82.569 4.141 -3.718 73 2HB ASP 26 HB1 ASP 26 83.901 3.959 -4.854 74 H GLY 27 HN GLY 27 86.013 2.864 -3.992 75 1HA GLY 27 HA2 GLY 27 87.818 1.496 -4.695 76 2HA GLY 27 HA1 GLY 27 86.660 0.337 -5.303 77 H THR 28 HN THR 28 87.454 3.701 -5.810 78 HA THR 28 HA THR 28 87.947 3.269 -8.581 79 HB THR 28 HB THR 28 85.402 4.186 -7.640 80 HG1 THR 28 HG1 THR 28 84.851 3.427 -9.525 81 1HG2 THR 28 1HG2 THR 28 86.065 6.449 -7.835 82 2HG2 THR 28 2HG2 THR 28 85.112 6.057 -9.268 83 3HG2 THR 28 3HG2 THR 28 86.870 6.147 -9.375 84 H GLY 29 HN GLY 29 89.489 4.598 -9.321 85 1HA GLY 29 HA2 GLY 29 90.678 6.592 -9.566 86 2HA GLY 29 HA1 GLY 29 89.857 7.242 -8.157 87 H HIS 30 HN HIS 30 91.337 4.120 -7.957 88 HA HIS 30 HA HIS 30 92.798 3.444 -6.231 89 1HB HIS 30 HB2 HIS 30 93.668 3.739 -8.664 90 2HB HIS 30 HB1 HIS 30 94.758 4.878 -7.949 91 HD2 HIS 30 HD2 HIS 30 93.863 1.063 -7.649 92 HE1 HIS 30 HE1 HIS 30 97.955 1.652 -6.782 93 HE2 HIS 30 HE2 HIS 30 96.088 -0.050 -6.932 94 H VAL 31 HN VAL 31 95.333 4.546 -5.693 95 HA VAL 31 HA VAL 31 94.720 6.274 -3.546 96 HB VAL 31 HB VAL 31 96.679 4.825 -3.481 97 1HG1 VAL 31 1HG1 VAL 31 97.160 5.698 -6.031 98 2HG1 VAL 31 2HG1 VAL 31 98.284 4.775 -5.035 99 3HG1 VAL 31 3HG1 VAL 31 98.402 6.534 -5.098 100 1HG2 VAL 31 1HG2 VAL 31 97.364 7.753 -3.292 101 2HG2 VAL 31 2HG2 VAL 31 98.293 6.438 -2.573 102 3HG2 VAL 31 3HG2 VAL 31 96.650 6.761 -2.022 103 H THR 32 HN THR 32 95.887 7.026 -6.814 104 HA THR 32 HA THR 32 95.489 9.854 -6.115 105 HB THR 32 HB THR 32 97.830 9.658 -6.208 106 HG1 THR 32 HG1 THR 32 98.243 11.067 -7.753 107 1HG2 THR 32 1HG2 THR 32 97.956 7.417 -7.220 108 2HG2 THR 32 2HG2 THR 32 99.088 8.565 -7.937 109 3HG2 THR 32 3HG2 THR 32 97.605 8.136 -8.791 110 H GLY 33 HN GLY 33 93.870 7.721 -7.561 111 1HA GLY 33 HA2 GLY 33 92.431 7.657 -9.342 112 2HA GLY 33 HA1 GLY 33 92.695 9.384 -9.448 113 H LEU 34 HN LEU 34 95.508 7.509 -9.681 114 HA LEU 34 HA LEU 34 95.659 8.129 -12.529 115 1HB LEU 34 HB2 LEU 34 97.831 7.216 -10.661 116 2HB LEU 34 HB1 LEU 34 98.046 7.717 -12.333 117 HG LEU 34 HG LEU 34 96.838 9.505 -10.283 118 1HD1 LEU 34 1HD1 LEU 34 98.868 10.241 -9.536 119 2HD1 LEU 34 2HD1 LEU 34 99.674 9.889 -11.062 120 3HD1 LEU 34 3HD1 LEU 34 99.328 8.585 -9.928 121 1HD2 LEU 34 1HD2 LEU 34 96.389 10.340 -12.404 122 2HD2 LEU 34 2HD2 LEU 34 97.964 9.857 -13.033 123 3HD2 LEU 34 3HD2 LEU 34 97.840 11.219 -11.920 124 H TYR 35 HN TYR 35 94.569 5.727 -10.693 125 HA TYR 35 HA TYR 35 95.526 3.673 -12.592 126 1HB TYR 35 HB2 TYR 35 94.677 3.182 -9.752 127 2HB TYR 35 HB1 TYR 35 95.362 2.005 -10.852 128 HD1 TYR 35 HD1 TYR 35 96.359 5.445 -9.807 129 HD2 TYR 35 HD2 TYR 35 97.465 1.362 -10.105 130 HE1 TYR 35 HE1 TYR 35 98.592 5.999 -8.947 131 HE2 TYR 35 HE2 TYR 35 99.707 1.898 -9.262 132 HH TYR 35 HH TYR 35 100.462 4.893 -7.837 133 HA PRO 36 HA PRO 36 91.277 3.005 -13.562 134 1HB PRO 36 HB2 PRO 36 91.616 0.108 -13.688 135 2HB PRO 36 HB1 PRO 36 91.357 1.251 -15.006 136 1HG PRO 36 HG2 PRO 36 93.708 -0.050 -14.624 137 2HG PRO 36 HG1 PRO 36 93.605 1.564 -15.351 138 1HD PRO 36 HD2 PRO 36 94.340 0.787 -12.555 139 2HD PRO 36 HD1 PRO 36 95.047 2.038 -13.602 140 H HIS 37 HN HIS 37 91.763 3.237 -10.788 141 HA HIS 37 HA HIS 37 90.397 3.018 -8.955 142 1HB HIS 37 HB2 HIS 37 89.387 0.330 -9.796 143 2HB HIS 37 HB1 HIS 37 88.639 1.525 -8.758 144 HD2 HIS 37 HD2 HIS 37 88.844 3.969 -11.051 145 HE1 HIS 37 HE1 HIS 37 86.203 1.384 -13.106 146 HE2 HIS 37 HE2 HIS 37 86.977 3.783 -12.841 147 H HIS 38 HN HIS 38 90.185 1.139 -7.256 148 HA HIS 38 HA HIS 38 92.718 -0.362 -7.288 149 1HB HIS 38 HB2 HIS 38 92.920 0.007 -4.841 150 2HB HIS 38 HB1 HIS 38 93.047 1.491 -5.770 151 HD1 HIS 38 HD1 HIS 38 91.026 3.187 -5.556 152 HD2 HIS 38 HD2 HIS 38 90.955 -0.080 -3.000 153 HE1 HIS 38 HE1 HIS 38 89.227 3.683 -3.809 154 H ARG 39 HN ARG 39 89.571 -0.095 -5.668 155 HA ARG 39 HA ARG 39 88.209 -1.691 -4.767 156 1HB ARG 39 HB2 ARG 39 88.046 -1.894 -7.319 157 2HB ARG 39 HB1 ARG 39 89.013 -3.351 -7.142 158 1HG ARG 39 HG2 ARG 39 87.241 -4.162 -5.525 159 2HG ARG 39 HG1 ARG 39 86.254 -2.814 -6.091 160 1HD ARG 39 HD2 ARG 39 86.296 -3.651 -8.339 161 2HD ARG 39 HD1 ARG 39 87.461 -4.901 -7.901 162 HE ARG 39 HE ARG 39 85.055 -5.092 -6.379 163 1HH1 ARG 39 1HH1 ARG 39 86.489 -5.862 -9.465 164 2HH1 ARG 39 2HH1 ARG 39 85.428 -7.194 -9.766 165 1HH2 ARG 39 1HH2 ARG 39 83.656 -6.847 -6.774 166 2HH2 ARG 39 2HH2 ARG 39 83.819 -7.754 -8.241 167 H SER 40 HN SER 40 91.234 -1.975 -4.198 168 HA SER 40 HA SER 40 90.973 -4.367 -2.685 169 1HB SER 40 HB2 SER 40 93.314 -4.912 -4.232 170 2HB SER 40 HB1 SER 40 91.869 -5.901 -4.018 171 HG SER 40 HG SER 40 92.622 -4.816 -6.219 172 H LEU 41 HN LEU 41 91.836 -1.455 -2.471 173 HA LEU 41 HA LEU 41 93.186 -0.379 -0.992 174 1HB LEU 41 HB2 LEU 41 94.803 -2.866 -0.539 175 2HB LEU 41 HB1 LEU 41 94.515 -1.528 0.556 176 HG LEU 41 HG LEU 41 92.135 -3.105 -0.235 177 1HD1 LEU 41 1HD1 LEU 41 93.937 -4.212 1.881 178 2HD1 LEU 41 2HD1 LEU 41 94.093 -4.722 0.200 179 3HD1 LEU 41 3HD1 LEU 41 92.574 -4.977 1.063 180 1HD2 LEU 41 1HD2 LEU 41 91.272 -2.210 1.614 181 2HD2 LEU 41 2HD2 LEU 41 92.674 -1.143 1.596 182 3HD2 LEU 41 3HD2 LEU 41 92.692 -2.606 2.580 183 H SER 42 HN SER 42 96.001 -0.710 -0.633 184 HA SER 42 HA SER 42 97.993 -0.286 -1.676 185 1HB SER 42 HB2 SER 42 96.749 -1.012 -4.329 186 2HB SER 42 HB1 SER 42 98.439 -1.133 -3.841 187 HG SER 42 HG SER 42 97.912 -2.858 -2.526 188 H GLY 43 HN GLY 43 95.233 0.633 -3.741 189 1HA GLY 43 HA2 GLY 43 96.474 3.216 -4.233 190 2HA GLY 43 HA1 GLY 43 95.103 2.545 -5.085 191 H CYS 44 HN CYS 44 93.082 2.670 -4.239 192 HA CYS 44 HA CYS 44 91.356 3.743 -3.154 193 1HB CYS 44 HB2 CYS 44 92.458 2.260 -1.335 194 2HB CYS 44 HB1 CYS 44 93.033 3.787 -0.674 195 HA PRO 45 HA PRO 45 92.897 8.016 -3.266 196 1HB PRO 45 HB2 PRO 45 90.819 9.101 -4.547 197 2HB PRO 45 HB1 PRO 45 91.991 8.090 -5.390 198 1HG PRO 45 HG2 PRO 45 89.226 7.456 -4.505 199 2HG PRO 45 HG1 PRO 45 90.115 6.866 -5.915 200 1HD PRO 45 HD2 PRO 45 89.741 5.514 -3.467 201 2HD PRO 45 HD1 PRO 45 90.847 5.049 -4.773 202 H HIS 46 HN HIS 46 91.187 6.854 -0.964 203 HA HIS 46 HA HIS 46 89.772 9.352 -0.326 204 1HB HIS 46 HB2 HIS 46 89.267 6.717 1.013 205 2HB HIS 46 HB1 HIS 46 88.217 8.125 0.897 206 HD2 HIS 46 HD2 HIS 46 88.542 4.787 -0.651 207 HE1 HIS 46 HE1 HIS 46 86.647 7.174 -3.565 208 HE2 HIS 46 HE2 HIS 46 87.372 4.829 -2.958 209 H LYS 47 HN LYS 47 91.017 6.740 1.816 210 HA LYS 47 HA LYS 47 92.171 6.832 3.739 211 1HB LYS 47 HB2 LYS 47 94.281 7.902 3.704 212 2HB LYS 47 HB1 LYS 47 93.964 7.388 2.058 213 1HG LYS 47 HG2 LYS 47 93.182 9.775 1.636 214 2HG LYS 47 HG1 LYS 47 93.927 10.166 3.183 215 1HD LYS 47 HD2 LYS 47 95.883 10.352 2.149 216 2HD LYS 47 HD1 LYS 47 95.803 8.634 1.750 217 1HE LYS 47 HE2 LYS 47 94.899 9.041 -0.359 218 2HE LYS 47 HE1 LYS 47 94.372 10.665 0.077 219 1HZ LYS 47 HZ1 LYS 47 97.187 9.795 -0.297 220 2HZ LYS 47 HZ2 LYS 47 96.694 11.351 0.148 221 3HZ LYS 47 HZ3 LYS 47 96.288 10.740 -1.375 222 H ASP 48 HN ASP 48 90.070 7.634 4.562 223 HA ASP 48 HA ASP 48 90.596 10.188 5.930 224 1HB ASP 48 HB2 ASP 48 88.824 10.213 3.964 225 2HB ASP 48 HB1 ASP 48 87.778 9.545 5.209 226 H ARG 49 HN ARG 49 90.469 7.064 6.364 227 HA ARG 49 HA ARG 49 89.873 5.645 8.006 228 1HB ARG 49 HB2 ARG 49 90.096 6.445 10.314 229 2HB ARG 49 HB1 ARG 49 91.421 6.973 9.293 230 1HG ARG 49 HG2 ARG 49 89.320 8.948 9.369 231 2HG ARG 49 HG1 ARG 49 89.849 8.519 10.987 232 1HD ARG 49 HD2 ARG 49 91.062 10.424 9.668 233 2HD ARG 49 HD1 ARG 49 91.978 9.292 10.659 234 HE ARG 49 HE ARG 49 91.676 8.787 7.785 235 1HH1 ARG 49 1HH1 ARG 49 93.740 9.552 10.500 236 2HH1 ARG 49 2HH1 ARG 49 95.200 9.215 9.635 237 1HH2 ARG 49 1HH2 ARG 49 93.595 8.349 6.658 238 2HH2 ARG 49 2HH2 ARG 49 95.120 8.535 7.458 239 H VAL 50 HN VAL 50 87.747 6.141 6.641 240 HA VAL 50 HA VAL 50 85.628 5.846 8.587 241 HB VAL 50 HB VAL 50 84.584 7.477 6.425 242 1HG1 VAL 50 1HG1 VAL 50 84.211 8.811 8.827 243 2HG1 VAL 50 2HG1 VAL 50 84.288 7.109 9.280 244 3HG1 VAL 50 3HG1 VAL 50 83.112 7.650 8.082 245 1HG2 VAL 50 1HG2 VAL 50 86.834 8.504 6.503 246 2HG2 VAL 50 2HG2 VAL 50 86.577 8.869 8.210 247 3HG2 VAL 50 3HG2 VAL 50 85.550 9.611 6.984 248 HA PRO 51 HA PRO 51 84.282 2.528 6.067 249 1HB PRO 51 HB2 PRO 51 81.746 4.044 5.603 250 2HB PRO 51 HB1 PRO 51 81.983 2.354 6.037 251 1HG PRO 51 HG2 PRO 51 81.296 4.210 7.864 252 2HG PRO 51 HG1 PRO 51 82.323 2.822 8.260 253 1HD PRO 51 HD2 PRO 51 83.029 5.670 8.029 254 2HD PRO 51 HD1 PRO 51 83.882 4.365 8.869 255 HA PRO 52 HA PRO 52 83.408 4.687 1.855 256 1HB PRO 52 HB2 PRO 52 83.052 7.343 1.735 257 2HB PRO 52 HB1 PRO 52 81.728 6.238 2.127 258 1HG PRO 52 HG2 PRO 52 83.451 7.854 3.978 259 2HG PRO 52 HG1 PRO 52 81.686 7.673 3.975 260 1HD PRO 52 HD2 PRO 52 83.275 6.260 5.642 261 2HD PRO 52 HD1 PRO 52 81.769 5.602 4.978 262 H GLU 53 HN GLU 53 85.924 4.220 2.783 263 HA GLU 53 HA GLU 53 87.478 5.932 1.174 264 1HB GLU 53 HB2 GLU 53 87.772 6.078 4.161 265 2HB GLU 53 HB1 GLU 53 89.068 6.545 3.070 266 1HG GLU 53 HG2 GLU 53 88.165 8.577 3.261 267 2HG GLU 53 HG1 GLU 53 87.029 7.992 2.059 268 H ILE 54 HN ILE 54 89.128 4.651 3.838 269 HA ILE 54 HA ILE 54 89.791 2.160 2.418 270 HB ILE 54 HB ILE 54 92.054 3.119 3.959 271 1HG1 ILE 54 2HG1 ILE 54 91.149 4.848 1.655 272 2HG1 ILE 54 1HG1 ILE 54 91.339 5.338 3.330 273 1HG2 ILE 54 1HG2 ILE 54 93.007 1.736 2.525 274 2HG2 ILE 54 2HG2 ILE 54 92.674 2.865 1.212 275 3HG2 ILE 54 3HG2 ILE 54 91.505 1.613 1.616 276 1HD1 ILE 54 1HD1 ILE 54 93.555 5.611 3.129 277 2HD1 ILE 54 2HD1 ILE 54 93.182 5.734 1.409 278 3HD1 ILE 54 3HD1 ILE 54 93.743 4.204 2.084 279 H LEU 55 HN LEU 55 88.432 3.461 5.012 280 HA LEU 55 HA LEU 55 89.477 2.583 7.315 281 1HB LEU 55 HB2 LEU 55 87.336 3.661 7.287 282 2HB LEU 55 HB1 LEU 55 86.613 2.299 6.451 283 HG LEU 55 HG LEU 55 87.820 1.550 9.008 284 1HD1 LEU 55 1HD1 LEU 55 86.828 3.983 9.246 285 2HD1 LEU 55 2HD1 LEU 55 86.575 2.757 10.488 286 3HD1 LEU 55 3HD1 LEU 55 85.304 3.100 9.314 287 1HD2 LEU 55 1HD2 LEU 55 86.443 -0.014 7.905 288 2HD2 LEU 55 2HD2 LEU 55 85.164 1.174 7.652 289 3HD2 LEU 55 3HD2 LEU 55 85.500 0.574 9.276 290 H ALA 56 HN ALA 56 88.228 0.527 4.851 291 HA ALA 56 HA ALA 56 88.034 -1.857 6.305 292 1HB ALA 56 HB1 ALA 56 87.093 -2.449 4.387 293 2HB ALA 56 HB2 ALA 56 88.704 -2.551 3.675 294 3HB ALA 56 HB3 ALA 56 87.785 -1.049 3.569 295 H MET 57 HN MET 57 90.671 -0.422 4.454 296 HA MET 57 HA MET 57 92.483 -2.550 4.582 297 1HB MET 57 HB2 MET 57 92.547 -0.230 3.325 298 2HB MET 57 HB1 MET 57 93.461 0.270 4.735 299 1HG MET 57 HG2 MET 57 94.459 -2.230 3.730 300 2HG MET 57 HG1 MET 57 94.410 -1.021 2.451 301 1HE MET 57 HE1 MET 57 97.493 0.833 2.867 302 2HE MET 57 HE2 MET 57 95.865 1.503 2.776 303 3HE MET 57 HE3 MET 57 96.274 0.054 1.858 304 H HIS 58 HN HIS 58 94.672 -2.284 5.834 305 HA HIS 58 HA HIS 58 94.133 -1.447 8.600 306 1HB HIS 58 HB2 HIS 58 94.835 -4.156 7.607 307 2HB HIS 58 HB1 HIS 58 95.625 -3.625 9.087 308 HD2 HIS 58 HD2 HIS 58 92.743 -1.993 10.030 309 HE1 HIS 58 HE1 HIS 58 91.468 -6.014 10.352 310 HE2 HIS 58 HE2 HIS 58 90.885 -3.600 10.860 311 H GLU 59 HN GLU 59 96.412 -2.048 9.836 312 HA GLU 59 HA GLU 59 98.601 -1.548 10.153 313 1HB GLU 59 HB2 GLU 59 98.529 -1.536 7.166 314 2HB GLU 59 HB1 GLU 59 99.922 -0.842 7.980 315 1HG GLU 59 HG2 GLU 59 98.897 -3.629 8.455 316 2HG GLU 59 HG1 GLU 59 100.195 -3.218 7.332 317 H ASN 60 HN ASN 60 98.304 0.677 7.418 318 HA ASN 60 HA ASN 60 98.294 2.901 9.355 319 1HB ASN 60 HB2 ASN 60 100.359 2.315 7.698 320 2HB ASN 60 HB1 ASN 60 99.432 3.405 6.672 321 1HD2 ASN 60 1HD2 ASN 60 100.285 5.343 6.748 322 2HD2 ASN 60 2HD2 ASN 60 100.839 6.162 8.175 323 H VAL 61 HN VAL 61 95.896 2.392 8.959 324 HA VAL 61 HA VAL 61 94.875 4.421 7.174 325 HB VAL 61 HB VAL 61 93.315 2.918 6.001 326 1HG1 VAL 61 1HG1 VAL 61 95.580 3.561 5.075 327 2HG1 VAL 61 2HG1 VAL 61 94.832 2.125 4.373 328 3HG1 VAL 61 3HG1 VAL 61 96.129 1.954 5.556 329 1HG2 VAL 61 1HG2 VAL 61 92.955 0.868 6.765 330 2HG2 VAL 61 2HG2 VAL 61 94.267 1.044 7.930 331 3HG2 VAL 61 3HG2 VAL 61 94.601 0.419 6.316 332 H LEU 62 HN LEU 62 92.225 3.935 7.197 333 HA LEU 62 HA LEU 62 90.452 4.396 8.543 334 1HB LEU 62 HB2 LEU 62 89.633 2.499 9.569 335 2HB LEU 62 HB1 LEU 62 90.805 1.830 8.452 336 HG LEU 62 HG LEU 62 92.198 2.265 10.869 337 1HD1 LEU 62 1HD1 LEU 62 90.482 2.296 12.350 338 2HD1 LEU 62 2HD1 LEU 62 90.629 0.548 12.164 339 3HD1 LEU 62 3HD1 LEU 62 89.388 1.428 11.272 340 1HD2 LEU 62 1HD2 LEU 62 92.962 0.444 9.779 341 2HD2 LEU 62 2HD2 LEU 62 91.370 0.017 9.153 342 3HD2 LEU 62 3HD2 LEU 62 91.805 -0.397 10.811 343 H LYS 63 HN LYS 63 89.895 3.864 11.216 344 HA LYS 63 HA LYS 63 91.116 6.087 12.483 345 1HB LYS 63 HB2 LYS 63 88.827 4.593 12.886 346 2HB LYS 63 HB1 LYS 63 89.813 4.182 14.281 347 1HG LYS 63 HG2 LYS 63 89.569 7.048 13.573 348 2HG LYS 63 HG1 LYS 63 88.159 6.249 14.270 349 1HD LYS 63 HD2 LYS 63 90.912 6.178 15.498 350 2HD LYS 63 HD1 LYS 63 89.667 7.351 15.937 351 1HE LYS 63 HE2 LYS 63 88.171 5.417 16.488 352 2HE LYS 63 HE1 LYS 63 89.558 4.355 16.249 353 1HZ LYS 63 HZ1 LYS 63 90.507 6.234 17.952 354 2HZ LYS 63 HZ2 LYS 63 89.943 4.705 18.401 355 3HZ LYS 63 HZ3 LYS 63 88.912 6.043 18.480 Start of MODEL 10 1 H ARG 16 HN ARG 16 95.297 -10.525 -4.097 2 HA ARG 16 HA ARG 16 93.591 -10.547 -6.499 3 1HB ARG 16 HB2 ARG 16 94.653 -12.739 -4.760 4 2HB ARG 16 HB1 ARG 16 93.141 -12.978 -5.627 5 1HG ARG 16 HG2 ARG 16 94.423 -12.305 -7.720 6 2HG ARG 16 HG1 ARG 16 95.884 -12.513 -6.750 7 1HD ARG 16 HD2 ARG 16 95.733 -14.753 -6.791 8 2HD ARG 16 HD1 ARG 16 93.989 -14.734 -6.550 9 HE ARG 16 HE ARG 16 93.705 -14.485 -8.903 10 1HH1 ARG 16 1HH1 ARG 16 97.012 -15.105 -7.942 11 2HH1 ARG 16 2HH1 ARG 16 97.488 -15.656 -9.511 12 1HH2 ARG 16 1HH2 ARG 16 94.343 -15.210 -10.958 13 2HH2 ARG 16 2HH2 ARG 16 95.979 -15.713 -11.221 14 H GLU 17 HN GLU 17 91.361 -11.045 -6.240 15 HA GLU 17 HA GLU 17 89.304 -10.777 -5.312 16 1HB GLU 17 HB2 GLU 17 90.556 -11.497 -2.669 17 2HB GLU 17 HB1 GLU 17 88.898 -11.761 -3.190 18 1HG GLU 17 HG2 GLU 17 89.393 -13.723 -4.098 19 2HG GLU 17 HG1 GLU 17 90.796 -13.067 -4.941 20 H SER 18 HN SER 18 87.999 -9.459 -3.867 21 HA SER 18 HA SER 18 88.975 -6.821 -3.671 22 1HB SER 18 HB2 SER 18 86.656 -7.420 -1.977 23 2HB SER 18 HB1 SER 18 86.810 -6.289 -3.320 24 HG SER 18 HG SER 18 85.826 -7.696 -4.508 25 H LYS 19 HN LYS 19 90.123 -5.853 -2.126 26 HA LYS 19 HA LYS 19 90.316 -7.155 0.493 27 1HB LYS 19 HB2 LYS 19 92.326 -6.160 -1.321 28 2HB LYS 19 HB1 LYS 19 92.466 -5.389 0.253 29 1HG LYS 19 HG2 LYS 19 92.538 -8.337 -0.347 30 2HG LYS 19 HG1 LYS 19 93.874 -7.322 0.198 31 1HD LYS 19 HD2 LYS 19 92.162 -6.840 2.181 32 2HD LYS 19 HD1 LYS 19 91.590 -8.444 1.717 33 1HE LYS 19 HE2 LYS 19 94.500 -7.880 2.205 34 2HE LYS 19 HE1 LYS 19 93.404 -8.296 3.523 35 1HZ LYS 19 HZ1 LYS 19 94.727 -10.145 2.320 36 2HZ LYS 19 HZ2 LYS 19 93.527 -10.010 1.134 37 3HZ LYS 19 HZ3 LYS 19 93.105 -10.414 2.721 38 H CYS 20 HN CYS 20 91.226 -3.966 -0.584 39 HA CYS 20 HA CYS 20 90.465 -2.599 1.706 40 1HB CYS 20 HB2 CYS 20 91.928 -1.630 -0.025 41 2HB CYS 20 HB1 CYS 20 90.540 -1.487 -1.102 42 HA PRO 21 HA PRO 21 86.340 -1.579 -0.991 43 1HB PRO 21 HB2 PRO 21 86.010 -4.515 -1.461 44 2HB PRO 21 HB1 PRO 21 85.391 -3.155 -2.408 45 1HG PRO 21 HG2 PRO 21 87.548 -4.480 -3.213 46 2HG PRO 21 HG1 PRO 21 87.455 -2.717 -3.374 47 1HD PRO 21 HD2 PRO 21 89.035 -4.364 -1.485 48 2HD PRO 21 HD1 PRO 21 89.382 -2.753 -2.136 49 H THR 22 HN THR 22 86.295 -1.216 1.383 50 HA THR 22 HA THR 22 85.121 -3.279 3.019 51 HB THR 22 HB THR 22 84.946 -0.944 4.446 52 HG1 THR 22 HG1 THR 22 85.928 0.423 3.131 53 1HG2 THR 22 1HG2 THR 22 87.626 -1.776 4.684 54 2HG2 THR 22 2HG2 THR 22 86.638 -3.214 4.429 55 3HG2 THR 22 3HG2 THR 22 86.272 -2.116 5.760 56 HA PRO 23 HA PRO 23 80.784 -2.363 2.976 57 1HB PRO 23 HB2 PRO 23 81.038 -0.739 5.475 58 2HB PRO 23 HB1 PRO 23 79.881 -2.017 5.079 59 1HG PRO 23 HG2 PRO 23 81.936 -2.510 6.696 60 2HG PRO 23 HG1 PRO 23 81.406 -3.713 5.506 61 1HD PRO 23 HD2 PRO 23 83.794 -1.940 5.473 62 2HD PRO 23 HD1 PRO 23 83.593 -3.575 4.813 63 H GLY 24 HN GLY 24 83.041 0.234 3.515 64 1HA GLY 24 HA2 GLY 24 81.131 2.191 2.453 65 2HA GLY 24 HA1 GLY 24 82.613 2.572 3.315 66 H CYS 25 HN CYS 25 84.685 1.806 2.134 67 HA CYS 25 HA CYS 25 85.052 3.208 -0.150 68 1HB CYS 25 HB2 CYS 25 86.916 2.096 1.124 69 2HB CYS 25 HB1 CYS 25 86.467 0.577 0.326 70 H ASP 26 HN ASP 26 85.192 2.795 -2.381 71 HA ASP 26 HA ASP 26 83.261 0.779 -3.284 72 1HB ASP 26 HB2 ASP 26 82.962 3.232 -3.859 73 2HB ASP 26 HB1 ASP 26 84.386 3.085 -4.879 74 H GLY 27 HN GLY 27 86.470 2.096 -4.069 75 1HA GLY 27 HA2 GLY 27 88.319 0.677 -4.589 76 2HA GLY 27 HA1 GLY 27 87.186 -0.531 -5.137 77 H THR 28 HN THR 28 87.693 2.839 -5.900 78 HA THR 28 HA THR 28 88.522 2.268 -8.556 79 HB THR 28 HB THR 28 85.772 2.714 -7.965 80 HG1 THR 28 HG1 THR 28 85.798 1.524 -9.670 81 1HG2 THR 28 1HG2 THR 28 86.947 4.828 -9.750 82 2HG2 THR 28 2HG2 THR 28 86.083 5.080 -8.232 83 3HG2 THR 28 3HG2 THR 28 85.233 4.432 -9.635 84 H GLY 29 HN GLY 29 89.988 3.751 -9.140 85 1HA GLY 29 HA2 GLY 29 90.535 6.077 -9.534 86 2HA GLY 29 HA1 GLY 29 89.789 6.471 -7.993 87 H HIS 30 HN HIS 30 91.363 3.797 -7.199 88 HA HIS 30 HA HIS 30 93.235 3.441 -5.914 89 1HB HIS 30 HB2 HIS 30 93.846 3.687 -8.453 90 2HB HIS 30 HB1 HIS 30 94.775 5.032 -7.888 91 HD2 HIS 30 HD2 HIS 30 94.604 1.143 -7.310 92 HE1 HIS 30 HE1 HIS 30 98.554 2.548 -6.750 93 HE2 HIS 30 HE2 HIS 30 97.038 0.516 -6.670 94 H VAL 31 HN VAL 31 95.427 4.671 -5.315 95 HA VAL 31 HA VAL 31 94.856 6.538 -3.369 96 HB VAL 31 HB VAL 31 96.938 5.267 -3.470 97 1HG1 VAL 31 1HG1 VAL 31 98.424 7.129 -5.119 98 2HG1 VAL 31 2HG1 VAL 31 97.164 6.294 -6.031 99 3HG1 VAL 31 3HG1 VAL 31 98.384 5.365 -5.158 100 1HG2 VAL 31 1HG2 VAL 31 97.513 8.220 -3.341 101 2HG2 VAL 31 2HG2 VAL 31 98.336 6.921 -2.477 102 3HG2 VAL 31 3HG2 VAL 31 96.669 7.331 -2.074 103 H THR 32 HN THR 32 95.535 7.361 -6.796 104 HA THR 32 HA THR 32 95.318 10.173 -5.946 105 HB THR 32 HB THR 32 96.725 10.808 -7.732 106 HG1 THR 32 HG1 THR 32 97.422 9.173 -9.273 107 1HG2 THR 32 1HG2 THR 32 97.921 8.195 -6.858 108 2HG2 THR 32 2HG2 THR 32 97.936 9.661 -5.877 109 3HG2 THR 32 3HG2 THR 32 98.764 9.633 -7.433 110 H GLY 33 HN GLY 33 93.440 7.841 -7.224 111 1HA GLY 33 HA2 GLY 33 91.429 7.996 -8.357 112 2HA GLY 33 HA1 GLY 33 91.682 9.726 -8.398 113 H LEU 34 HN LEU 34 94.305 7.892 -9.502 114 HA LEU 34 HA LEU 34 93.521 8.438 -12.278 115 1HB LEU 34 HB2 LEU 34 96.356 8.547 -11.359 116 2HB LEU 34 HB1 LEU 34 95.647 9.203 -12.828 117 HG LEU 34 HG LEU 34 94.743 10.178 -10.188 118 1HD1 LEU 34 1HD1 LEU 34 96.763 11.900 -11.309 119 2HD1 LEU 34 2HD1 LEU 34 97.425 10.303 -10.959 120 3HD1 LEU 34 3HD1 LEU 34 96.641 11.231 -9.681 121 1HD2 LEU 34 1HD2 LEU 34 93.920 10.724 -12.699 122 2HD2 LEU 34 2HD2 LEU 34 95.117 11.999 -12.464 123 3HD2 LEU 34 3HD2 LEU 34 93.763 11.841 -11.343 124 H TYR 35 HN TYR 35 93.879 5.897 -10.312 125 HA TYR 35 HA TYR 35 95.438 4.383 -12.324 126 1HB TYR 35 HB2 TYR 35 94.747 3.547 -9.524 127 2HB TYR 35 HB1 TYR 35 95.721 2.631 -10.642 128 HD1 TYR 35 HD1 TYR 35 95.704 6.140 -9.405 129 HD2 TYR 35 HD2 TYR 35 97.959 2.609 -10.064 130 HE1 TYR 35 HE1 TYR 35 97.705 7.262 -8.522 131 HE2 TYR 35 HE2 TYR 35 99.971 3.720 -9.203 132 HH TYR 35 HH TYR 35 100.042 6.221 -7.363 133 HA PRO 36 HA PRO 36 91.816 2.150 -13.460 134 1HB PRO 36 HB2 PRO 36 92.583 -0.443 -13.624 135 2HB PRO 36 HB1 PRO 36 93.099 0.774 -14.796 136 1HG PRO 36 HG2 PRO 36 94.583 -0.358 -12.462 137 2HG PRO 36 HG1 PRO 36 95.175 0.020 -14.089 138 1HD PRO 36 HD2 PRO 36 95.576 1.635 -11.935 139 2HD PRO 36 HD1 PRO 36 95.475 2.241 -13.597 140 H HIS 37 HN HIS 37 92.178 2.656 -10.610 141 HA HIS 37 HA HIS 37 90.836 2.226 -8.814 142 1HB HIS 37 HB2 HIS 37 90.368 -0.620 -9.593 143 2HB HIS 37 HB1 HIS 37 89.366 0.449 -8.632 144 HD2 HIS 37 HD2 HIS 37 89.114 2.838 -10.925 145 HE1 HIS 37 HE1 HIS 37 87.297 -0.278 -13.136 146 HE2 HIS 37 HE2 HIS 37 87.749 2.215 -13.041 147 H HIS 38 HN HIS 38 90.894 0.402 -7.063 148 HA HIS 38 HA HIS 38 93.636 -0.644 -6.949 149 1HB HIS 38 HB2 HIS 38 93.732 -0.067 -4.536 150 2HB HIS 38 HB1 HIS 38 93.649 1.345 -5.580 151 HD1 HIS 38 HD1 HIS 38 91.387 2.717 -5.520 152 HD2 HIS 38 HD2 HIS 38 91.754 -0.314 -2.713 153 HE1 HIS 38 HE1 HIS 38 89.505 3.076 -3.826 154 H ARG 39 HN ARG 39 90.423 -0.748 -5.445 155 HA ARG 39 HA ARG 39 89.329 -2.460 -4.366 156 1HB ARG 39 HB2 ARG 39 89.711 -2.966 -7.088 157 2HB ARG 39 HB1 ARG 39 90.073 -4.495 -6.302 158 1HG ARG 39 HG2 ARG 39 87.844 -4.761 -6.605 159 2HG ARG 39 HG1 ARG 39 87.811 -3.956 -5.039 160 1HD ARG 39 HD2 ARG 39 87.765 -1.795 -6.562 161 2HD ARG 39 HD1 ARG 39 87.076 -2.923 -7.725 162 HE ARG 39 HE ARG 39 85.856 -1.973 -5.270 163 1HH1 ARG 39 1HH1 ARG 39 85.751 -4.294 -7.879 164 2HH1 ARG 39 2HH1 ARG 39 84.072 -4.650 -7.657 165 1HH2 ARG 39 1HH2 ARG 39 83.649 -2.445 -4.983 166 2HH2 ARG 39 2HH2 ARG 39 82.879 -3.603 -6.014 167 H SER 40 HN SER 40 92.219 -2.203 -3.623 168 HA SER 40 HA SER 40 92.393 -4.550 -2.073 169 1HB SER 40 HB2 SER 40 93.822 -4.550 -4.672 170 2HB SER 40 HB1 SER 40 94.665 -5.231 -3.282 171 HG SER 40 HG SER 40 93.261 -6.833 -3.192 172 H LEU 41 HN LEU 41 92.967 -1.474 -2.111 173 HA LEU 41 HA LEU 41 94.224 -0.161 -0.758 174 1HB LEU 41 HB2 LEU 41 95.965 -2.482 -0.004 175 2HB LEU 41 HB1 LEU 41 95.575 -1.051 0.931 176 HG LEU 41 HG LEU 41 93.339 -2.898 0.258 177 1HD1 LEU 41 1HD1 LEU 41 95.065 -3.496 2.627 178 2HD1 LEU 41 2HD1 LEU 41 95.406 -4.230 1.058 179 3HD1 LEU 41 3HD1 LEU 41 93.850 -4.506 1.841 180 1HD2 LEU 41 1HD2 LEU 41 93.458 -0.635 1.666 181 2HD2 LEU 41 2HD2 LEU 41 93.797 -1.793 2.953 182 3HD2 LEU 41 3HD2 LEU 41 92.312 -1.927 2.013 183 H SER 42 HN SER 42 96.881 0.067 -0.323 184 HA SER 42 HA SER 42 98.887 0.571 -1.289 185 1HB SER 42 HB2 SER 42 97.966 -1.037 -3.685 186 2HB SER 42 HB1 SER 42 99.613 -0.521 -3.334 187 HG SER 42 HG SER 42 99.718 -1.943 -1.676 188 H GLY 43 HN GLY 43 95.852 1.160 -2.724 189 1HA GLY 43 HA2 GLY 43 96.893 3.557 -4.026 190 2HA GLY 43 HA1 GLY 43 95.682 2.552 -4.798 191 H CYS 44 HN CYS 44 93.615 2.578 -4.113 192 HA CYS 44 HA CYS 44 91.694 3.486 -3.273 193 1HB CYS 44 HB2 CYS 44 92.880 2.443 -1.220 194 2HB CYS 44 HB1 CYS 44 93.176 4.114 -0.746 195 HA PRO 45 HA PRO 45 92.422 7.912 -3.806 196 1HB PRO 45 HB2 PRO 45 90.085 8.491 -4.994 197 2HB PRO 45 HB1 PRO 45 91.360 7.610 -5.836 198 1HG PRO 45 HG2 PRO 45 88.792 6.637 -4.765 199 2HG PRO 45 HG1 PRO 45 89.793 5.972 -6.061 200 1HD PRO 45 HD2 PRO 45 89.635 5.098 -3.338 201 2HD PRO 45 HD1 PRO 45 90.662 4.461 -4.632 202 H HIS 46 HN HIS 46 91.016 6.743 -1.249 203 HA HIS 46 HA HIS 46 89.355 9.115 -0.756 204 1HB HIS 46 HB2 HIS 46 89.110 6.519 0.723 205 2HB HIS 46 HB1 HIS 46 87.915 7.788 0.511 206 HD2 HIS 46 HD2 HIS 46 88.595 4.422 -0.743 207 HE1 HIS 46 HE1 HIS 46 86.603 6.349 -3.919 208 HE2 HIS 46 HE2 HIS 46 87.490 4.144 -3.066 209 H LYS 47 HN LYS 47 90.344 6.965 1.873 210 HA LYS 47 HA LYS 47 91.807 7.222 3.600 211 1HB LYS 47 HB2 LYS 47 93.052 8.698 1.562 212 2HB LYS 47 HB1 LYS 47 93.055 9.745 2.974 213 1HG LYS 47 HG2 LYS 47 93.867 7.455 4.108 214 2HG LYS 47 HG1 LYS 47 94.487 7.220 2.474 215 1HD LYS 47 HD2 LYS 47 96.176 8.607 2.881 216 2HD LYS 47 HD1 LYS 47 95.050 9.897 3.305 217 1HE LYS 47 HE2 LYS 47 96.345 9.646 5.225 218 2HE LYS 47 HE1 LYS 47 94.889 8.722 5.586 219 1HZ LYS 47 HZ1 LYS 47 97.129 7.303 4.353 220 2HZ LYS 47 HZ2 LYS 47 95.995 6.758 5.483 221 3HZ LYS 47 HZ3 LYS 47 97.278 7.740 5.982 222 H ASP 48 HN ASP 48 89.535 7.716 4.497 223 HA ASP 48 HA ASP 48 89.771 10.279 5.919 224 1HB ASP 48 HB2 ASP 48 88.200 10.654 4.045 225 2HB ASP 48 HB1 ASP 48 87.181 9.359 4.661 226 H ARG 49 HN ARG 49 89.824 7.169 6.263 227 HA ARG 49 HA ARG 49 88.917 5.592 7.707 228 1HB ARG 49 HB2 ARG 49 89.802 6.000 9.937 229 2HB ARG 49 HB1 ARG 49 90.948 6.492 8.700 230 1HG ARG 49 HG2 ARG 49 91.086 8.482 9.652 231 2HG ARG 49 HG1 ARG 49 89.382 8.754 9.283 232 1HD ARG 49 HD2 ARG 49 89.598 9.085 11.607 233 2HD ARG 49 HD1 ARG 49 88.856 7.499 11.416 234 HE ARG 49 HE ARG 49 91.462 6.884 11.594 235 1HH1 ARG 49 1HH1 ARG 49 89.417 8.934 13.546 236 2HH1 ARG 49 2HH1 ARG 49 90.306 8.645 15.004 237 1HH2 ARG 49 1HH2 ARG 49 92.627 6.501 13.515 238 2HH2 ARG 49 2HH2 ARG 49 92.125 7.265 14.986 239 H VAL 50 HN VAL 50 86.654 6.996 6.956 240 HA VAL 50 HA VAL 50 85.037 6.540 9.288 241 HB VAL 50 HB VAL 50 85.078 9.343 8.152 242 1HG1 VAL 50 1HG1 VAL 50 83.119 7.875 9.809 243 2HG1 VAL 50 2HG1 VAL 50 82.874 9.189 8.658 244 3HG1 VAL 50 3HG1 VAL 50 83.481 9.536 10.278 245 1HG2 VAL 50 1HG2 VAL 50 86.902 9.095 9.649 246 2HG2 VAL 50 2HG2 VAL 50 85.913 8.211 10.809 247 3HG2 VAL 50 3HG2 VAL 50 85.626 9.929 10.536 248 HA PRO 51 HA PRO 51 82.233 6.900 5.514 249 1HB PRO 51 HB2 PRO 51 82.851 8.556 3.475 250 2HB PRO 51 HB1 PRO 51 82.208 9.162 5.004 251 1HG PRO 51 HG2 PRO 51 84.904 9.416 3.887 252 2HG PRO 51 HG1 PRO 51 84.138 10.341 5.186 253 1HD PRO 51 HD2 PRO 51 85.965 8.085 5.382 254 2HD PRO 51 HD1 PRO 51 85.373 9.154 6.660 255 HA PRO 52 HA PRO 52 83.559 4.020 2.378 256 1HB PRO 52 HB2 PRO 52 82.965 5.301 -0.044 257 2HB PRO 52 HB1 PRO 52 81.864 4.267 0.868 258 1HG PRO 52 HG2 PRO 52 82.066 7.243 0.828 259 2HG PRO 52 HG1 PRO 52 80.623 6.215 0.911 260 1HD PRO 52 HD2 PRO 52 81.523 7.448 3.086 261 2HD PRO 52 HD1 PRO 52 80.916 5.784 3.187 262 H GLU 53 HN GLU 53 85.778 4.511 3.035 263 HA GLU 53 HA GLU 53 87.300 5.730 0.904 264 1HB GLU 53 HB2 GLU 53 87.639 6.354 3.828 265 2HB GLU 53 HB1 GLU 53 88.691 6.942 2.548 266 1HG GLU 53 HG2 GLU 53 86.059 7.630 1.823 267 2HG GLU 53 HG1 GLU 53 86.245 8.038 3.522 268 H ILE 54 HN ILE 54 88.762 4.969 3.900 269 HA ILE 54 HA ILE 54 89.675 2.345 3.067 270 HB ILE 54 HB ILE 54 91.943 3.739 4.149 271 1HG1 ILE 54 2HG1 ILE 54 90.887 4.932 1.576 272 2HG1 ILE 54 1HG1 ILE 54 90.956 5.746 3.134 273 1HG2 ILE 54 1HG2 ILE 54 92.933 2.978 1.931 274 2HG2 ILE 54 2HG2 ILE 54 91.354 2.266 1.619 275 3HG2 ILE 54 3HG2 ILE 54 92.293 1.740 3.010 276 1HD1 ILE 54 1HD1 ILE 54 93.315 4.744 1.564 277 2HD1 ILE 54 2HD1 ILE 54 93.386 5.565 3.124 278 3HD1 ILE 54 3HD1 ILE 54 92.793 6.422 1.703 279 H LEU 55 HN LEU 55 87.961 3.618 5.108 280 HA LEU 55 HA LEU 55 89.054 3.859 7.597 281 1HB LEU 55 HB2 LEU 55 86.711 4.292 7.175 282 2HB LEU 55 HB1 LEU 55 86.426 2.592 6.855 283 HG LEU 55 HG LEU 55 87.515 3.267 9.529 284 1HD1 LEU 55 1HD1 LEU 55 84.982 4.343 8.491 285 2HD1 LEU 55 2HD1 LEU 55 85.978 4.881 9.843 286 3HD1 LEU 55 3HD1 LEU 55 84.879 3.515 10.043 287 1HD2 LEU 55 1HD2 LEU 55 85.198 1.493 8.850 288 2HD2 LEU 55 2HD2 LEU 55 86.313 1.394 10.211 289 3HD2 LEU 55 3HD2 LEU 55 86.860 0.964 8.591 290 H ALA 56 HN ALA 56 88.930 1.040 5.738 291 HA ALA 56 HA ALA 56 89.999 -0.461 7.976 292 1HB ALA 56 HB1 ALA 56 88.335 -1.921 7.994 293 2HB ALA 56 HB2 ALA 56 88.613 -2.283 6.291 294 3HB ALA 56 HB3 ALA 56 87.519 -0.978 6.747 295 H MET 57 HN MET 57 91.757 0.671 6.440 296 HA MET 57 HA MET 57 92.466 -0.615 4.046 297 1HB MET 57 HB2 MET 57 93.348 1.598 5.090 298 2HB MET 57 HB1 MET 57 94.524 0.567 5.887 299 1HG MET 57 HG2 MET 57 94.113 0.579 2.912 300 2HG MET 57 HG1 MET 57 95.258 1.638 3.734 301 1HE MET 57 HE1 MET 57 97.956 -0.710 5.083 302 2HE MET 57 HE2 MET 57 96.784 0.440 5.727 303 3HE MET 57 HE3 MET 57 97.749 0.861 4.312 304 H HIS 58 HN HIS 58 94.437 -0.877 7.006 305 HA HIS 58 HA HIS 58 94.707 -3.754 6.435 306 1HB HIS 58 HB2 HIS 58 96.736 -1.951 6.229 307 2HB HIS 58 HB1 HIS 58 96.919 -2.464 7.902 308 HD2 HIS 58 HD2 HIS 58 97.980 -3.532 4.475 309 HE1 HIS 58 HE1 HIS 58 98.260 -6.965 6.934 310 HE2 HIS 58 HE2 HIS 58 99.021 -5.890 4.767 311 H GLU 59 HN GLU 59 95.706 -1.652 9.134 312 HA GLU 59 HA GLU 59 94.888 -3.609 11.059 313 1HB GLU 59 HB2 GLU 59 96.707 -1.591 11.089 314 2HB GLU 59 HB1 GLU 59 95.390 -0.852 11.988 315 1HG GLU 59 HG2 GLU 59 95.439 -2.548 13.636 316 2HG GLU 59 HG1 GLU 59 96.506 -3.557 12.661 317 H ASN 60 HN ASN 60 93.926 -0.186 10.759 318 HA ASN 60 HA ASN 60 91.190 -0.562 10.559 319 1HB ASN 60 HB2 ASN 60 92.186 -1.087 13.217 320 2HB ASN 60 HB1 ASN 60 91.099 0.298 13.238 321 1HD2 ASN 60 1HD2 ASN 60 91.009 -2.684 14.032 322 2HD2 ASN 60 2HD2 ASN 60 89.463 -3.196 13.430 323 H VAL 61 HN VAL 61 90.051 1.359 10.508 324 HA VAL 61 HA VAL 61 89.853 3.554 9.930 325 HB VAL 61 HB VAL 61 90.500 5.145 11.758 326 1HG1 VAL 61 1HG1 VAL 61 89.035 3.706 13.490 327 2HG1 VAL 61 2HG1 VAL 61 88.716 2.810 12.007 328 3HG1 VAL 61 3HG1 VAL 61 88.352 4.533 12.090 329 1HG2 VAL 61 1HG2 VAL 61 92.462 3.883 12.582 330 2HG2 VAL 61 2HG2 VAL 61 91.374 2.637 13.190 331 3HG2 VAL 61 3HG2 VAL 61 91.310 4.267 13.860 332 H LEU 62 HN LEU 62 90.930 4.230 8.200 333 HA LEU 62 HA LEU 62 92.494 5.308 6.950 334 1HB LEU 62 HB2 LEU 62 92.720 6.527 9.345 335 2HB LEU 62 HB1 LEU 62 94.327 5.844 9.208 336 HG LEU 62 HG LEU 62 94.020 6.999 6.749 337 1HD1 LEU 62 1HD1 LEU 62 91.855 7.984 7.861 338 2HD1 LEU 62 2HD1 LEU 62 92.874 8.976 6.818 339 3HD1 LEU 62 3HD1 LEU 62 93.004 9.119 8.571 340 1HD2 LEU 62 1HD2 LEU 62 95.307 7.800 9.305 341 2HD2 LEU 62 2HD2 LEU 62 95.285 8.962 7.978 342 3HD2 LEU 62 3HD2 LEU 62 96.033 7.381 7.754 343 H LYS 63 HN LYS 63 95.188 5.404 6.926 344 HA LYS 63 HA LYS 63 95.882 2.619 6.517 345 1HB LYS 63 HB2 LYS 63 96.391 4.475 4.866 346 2HB LYS 63 HB1 LYS 63 97.607 5.042 6.004 347 1HG LYS 63 HG2 LYS 63 98.202 2.368 5.733 348 2HG LYS 63 HG1 LYS 63 97.702 2.843 4.109 349 1HD LYS 63 HD2 LYS 63 99.320 4.655 4.116 350 2HD LYS 63 HD1 LYS 63 99.782 4.262 5.773 351 1HE LYS 63 HE2 LYS 63 101.438 3.308 4.379 352 2HE LYS 63 HE1 LYS 63 100.421 1.975 4.924 353 1HZ LYS 63 HZ1 LYS 63 100.903 1.798 2.571 354 2HZ LYS 63 HZ2 LYS 63 100.240 3.328 2.286 355 3HZ LYS 63 HZ3 LYS 63 99.249 2.061 2.807 Start of MODEL 11 1 H ARG 16 HN ARG 16 100.224 -10.461 1.766 2 HA ARG 16 HA ARG 16 98.094 -11.224 2.013 3 1HB ARG 16 HB2 ARG 16 97.652 -8.296 2.591 4 2HB ARG 16 HB1 ARG 16 96.342 -9.468 2.645 5 1HG ARG 16 HG2 ARG 16 98.836 -9.918 4.227 6 2HG ARG 16 HG1 ARG 16 97.572 -8.840 4.823 7 1HD ARG 16 HD2 ARG 16 96.929 -10.835 5.765 8 2HD ARG 16 HD1 ARG 16 96.004 -10.856 4.263 9 HE ARG 16 HE ARG 16 97.249 -12.644 3.560 10 1HH1 ARG 16 1HH1 ARG 16 98.848 -11.155 6.281 11 2HH1 ARG 16 2HH1 ARG 16 100.024 -12.414 6.439 12 1HH2 ARG 16 1HH2 ARG 16 98.798 -14.302 3.766 13 2HH2 ARG 16 2HH2 ARG 16 99.998 -14.200 5.011 14 H GLU 17 HN GLU 17 96.032 -11.376 0.898 15 HA GLU 17 HA GLU 17 96.089 -10.048 -1.733 16 1HB GLU 17 HB2 GLU 17 96.047 -12.836 -1.063 17 2HB GLU 17 HB1 GLU 17 94.562 -12.428 -1.912 18 1HG GLU 17 HG2 GLU 17 97.051 -11.368 -3.079 19 2HG GLU 17 HG1 GLU 17 96.844 -13.118 -3.137 20 H SER 18 HN SER 18 94.781 -8.964 0.539 21 HA SER 18 HA SER 18 91.940 -9.492 0.089 22 1HB SER 18 HB2 SER 18 93.526 -8.189 2.258 23 2HB SER 18 HB1 SER 18 91.858 -7.670 2.023 24 HG SER 18 HG SER 18 91.521 -9.350 3.280 25 H LYS 19 HN LYS 19 90.470 -7.646 -0.177 26 HA LYS 19 HA LYS 19 91.686 -5.558 -1.806 27 1HB LYS 19 HB2 LYS 19 89.642 -5.418 -3.026 28 2HB LYS 19 HB1 LYS 19 90.080 -7.111 -2.921 29 1HG LYS 19 HG2 LYS 19 88.166 -5.906 -0.966 30 2HG LYS 19 HG1 LYS 19 87.629 -6.425 -2.561 31 1HD LYS 19 HD2 LYS 19 89.061 -8.588 -1.775 32 2HD LYS 19 HD1 LYS 19 88.437 -8.017 -0.225 33 1HE LYS 19 HE2 LYS 19 86.167 -8.068 -1.100 34 2HE LYS 19 HE1 LYS 19 86.771 -8.574 -2.678 35 1HZ LYS 19 HZ1 LYS 19 87.666 -10.283 -0.562 36 2HZ LYS 19 HZ2 LYS 19 86.886 -10.679 -2.011 37 3HZ LYS 19 HZ3 LYS 19 85.977 -10.222 -0.660 38 H CYS 20 HN CYS 20 89.576 -3.774 -1.905 39 HA CYS 20 HA CYS 20 89.550 -2.720 0.835 40 1HB CYS 20 HB2 CYS 20 90.770 -1.417 -0.872 41 2HB CYS 20 HB1 CYS 20 89.284 -1.238 -1.781 42 HA PRO 21 HA PRO 21 85.078 -3.093 -0.260 43 1HB PRO 21 HB2 PRO 21 84.273 -5.029 1.387 44 2HB PRO 21 HB1 PRO 21 85.096 -5.419 -0.128 45 1HG PRO 21 HG2 PRO 21 86.137 -5.464 2.659 46 2HG PRO 21 HG1 PRO 21 86.542 -6.512 1.289 47 1HD PRO 21 HD2 PRO 21 88.016 -4.283 2.205 48 2HD PRO 21 HD1 PRO 21 88.262 -5.165 0.692 49 H THR 22 HN THR 22 85.609 -0.923 0.922 50 HA THR 22 HA THR 22 85.087 -0.947 3.754 51 HB THR 22 HB THR 22 85.126 1.506 2.028 52 HG1 THR 22 HG1 THR 22 86.959 0.551 1.363 53 1HG2 THR 22 1HG2 THR 22 84.738 2.143 4.212 54 2HG2 THR 22 2HG2 THR 22 86.488 2.309 4.044 55 3HG2 THR 22 3HG2 THR 22 85.809 0.903 4.865 56 HA PRO 23 HA PRO 23 80.678 -0.743 3.769 57 1HB PRO 23 HB2 PRO 23 81.127 1.535 5.653 58 2HB PRO 23 HB1 PRO 23 80.057 0.137 5.816 59 1HG PRO 23 HG2 PRO 23 82.363 0.236 7.140 60 2HG PRO 23 HG1 PRO 23 81.786 -1.282 6.432 61 1HD PRO 23 HD2 PRO 23 83.963 0.527 5.517 62 2HD PRO 23 HD1 PRO 23 83.819 -1.235 5.366 63 H GLY 24 HN GLY 24 82.717 2.014 3.150 64 1HA GLY 24 HA2 GLY 24 80.484 3.267 1.694 65 2HA GLY 24 HA1 GLY 24 81.691 4.198 2.560 66 H CYS 25 HN CYS 25 84.008 2.657 1.667 67 HA CYS 25 HA CYS 25 84.752 4.080 -0.531 68 1HB CYS 25 HB2 CYS 25 86.315 2.493 0.789 69 2HB CYS 25 HB1 CYS 25 85.693 1.222 -0.286 70 H ASP 26 HN ASP 26 84.945 3.686 -2.785 71 HA ASP 26 HA ASP 26 82.743 2.023 -3.803 72 1HB ASP 26 HB2 ASP 26 82.780 4.552 -4.187 73 2HB ASP 26 HB1 ASP 26 84.114 4.251 -5.294 74 H GLY 27 HN GLY 27 86.160 2.765 -4.177 75 1HA GLY 27 HA2 GLY 27 87.813 1.333 -5.000 76 2HA GLY 27 HA1 GLY 27 86.554 0.242 -5.535 77 H THR 28 HN THR 28 87.349 3.569 -6.169 78 HA THR 28 HA THR 28 87.928 3.106 -8.908 79 HB THR 28 HB THR 28 85.301 4.002 -8.006 80 HG1 THR 28 HG1 THR 28 86.176 3.321 -10.610 81 1HG2 THR 28 1HG2 THR 28 86.781 5.705 -9.965 82 2HG2 THR 28 2HG2 THR 28 85.770 6.189 -8.604 83 3HG2 THR 28 3HG2 THR 28 85.031 5.506 -10.054 84 H GLY 29 HN GLY 29 89.467 4.498 -9.519 85 1HA GLY 29 HA2 GLY 29 90.434 6.639 -9.754 86 2HA GLY 29 HA1 GLY 29 89.539 7.182 -8.343 87 H HIS 30 HN HIS 30 91.277 4.186 -8.258 88 HA HIS 30 HA HIS 30 92.719 3.580 -6.466 89 1HB HIS 30 HB2 HIS 30 93.576 3.843 -8.914 90 2HB HIS 30 HB1 HIS 30 94.625 5.041 -8.226 91 HD2 HIS 30 HD2 HIS 30 93.878 1.200 -7.751 92 HE1 HIS 30 HE1 HIS 30 97.949 1.995 -6.949 93 HE2 HIS 30 HE2 HIS 30 96.224 0.188 -7.339 94 H VAL 31 HN VAL 31 95.222 4.698 -5.912 95 HA VAL 31 HA VAL 31 94.544 6.513 -3.827 96 HB VAL 31 HB VAL 31 96.460 5.011 -3.611 97 1HG1 VAL 31 1HG1 VAL 31 98.560 5.511 -4.817 98 2HG1 VAL 31 2HG1 VAL 31 97.673 6.673 -5.802 99 3HG1 VAL 31 3HG1 VAL 31 97.257 4.963 -5.872 100 1HG2 VAL 31 1HG2 VAL 31 96.967 7.959 -3.425 101 2HG2 VAL 31 2HG2 VAL 31 98.187 6.785 -2.931 102 3HG2 VAL 31 3HG2 VAL 31 96.614 6.808 -2.136 103 H THR 32 HN THR 32 95.879 7.040 -7.080 104 HA THR 32 HA THR 32 95.842 9.928 -6.529 105 HB THR 32 HB THR 32 97.534 10.211 -8.164 106 HG1 THR 32 HG1 THR 32 98.225 8.241 -9.359 107 1HG2 THR 32 1HG2 THR 32 99.319 9.232 -7.213 108 2HG2 THR 32 2HG2 THR 32 98.592 7.626 -7.247 109 3HG2 THR 32 3HG2 THR 32 98.135 8.775 -5.989 110 H GLY 33 HN GLY 33 94.108 7.505 -7.998 111 1HA GLY 33 HA2 GLY 33 92.293 7.605 -9.405 112 2HA GLY 33 HA1 GLY 33 92.525 9.339 -9.466 113 H LEU 34 HN LEU 34 95.337 7.638 -10.084 114 HA LEU 34 HA LEU 34 95.088 8.222 -12.927 115 1HB LEU 34 HB2 LEU 34 97.601 7.585 -11.417 116 2HB LEU 34 HB1 LEU 34 97.465 8.257 -13.037 117 HG LEU 34 HG LEU 34 96.346 9.649 -10.654 118 1HD1 LEU 34 1HD1 LEU 34 98.366 10.277 -9.937 119 2HD1 LEU 34 2HD1 LEU 34 98.802 10.844 -11.548 120 3HD1 LEU 34 3HD1 LEU 34 99.087 9.163 -11.097 121 1HD2 LEU 34 1HD2 LEU 34 96.132 10.117 -13.367 122 2HD2 LEU 34 2HD2 LEU 34 97.371 11.256 -12.842 123 3HD2 LEU 34 3HD2 LEU 34 95.783 11.267 -12.076 124 H TYR 35 HN TYR 35 94.457 5.769 -10.976 125 HA TYR 35 HA TYR 35 95.577 3.760 -12.829 126 1HB TYR 35 HB2 TYR 35 94.689 3.297 -9.993 127 2HB TYR 35 HB1 TYR 35 95.464 2.128 -11.042 128 HD1 TYR 35 HD1 TYR 35 96.217 5.643 -10.057 129 HD2 TYR 35 HD2 TYR 35 97.597 1.642 -10.281 130 HE1 TYR 35 HE1 TYR 35 98.397 6.355 -9.172 131 HE2 TYR 35 HE2 TYR 35 99.785 2.337 -9.413 132 HH TYR 35 HH TYR 35 100.459 4.671 -7.794 133 HA PRO 36 HA PRO 36 91.435 2.610 -13.816 134 1HB PRO 36 HB2 PRO 36 91.940 -0.247 -13.694 135 2HB PRO 36 HB1 PRO 36 91.749 0.777 -15.118 136 1HG PRO 36 HG2 PRO 36 94.112 -0.390 -14.406 137 2HG PRO 36 HG1 PRO 36 94.001 1.116 -15.334 138 1HD PRO 36 HD2 PRO 36 94.557 0.719 -12.419 139 2HD PRO 36 HD1 PRO 36 95.276 1.880 -13.559 140 H HIS 37 HN HIS 37 91.796 3.110 -11.050 141 HA HIS 37 HA HIS 37 90.409 2.930 -9.229 142 1HB HIS 37 HB2 HIS 37 89.523 0.162 -9.931 143 2HB HIS 37 HB1 HIS 37 88.686 1.400 -9.016 144 HD2 HIS 37 HD2 HIS 37 88.866 3.708 -11.420 145 HE1 HIS 37 HE1 HIS 37 86.532 0.856 -13.498 146 HE2 HIS 37 HE2 HIS 37 87.126 3.313 -13.303 147 H HIS 38 HN HIS 38 90.216 1.152 -7.425 148 HA HIS 38 HA HIS 38 92.763 -0.301 -7.302 149 1HB HIS 38 HB2 HIS 38 93.065 0.320 -4.964 150 2HB HIS 38 HB1 HIS 38 93.001 1.754 -5.976 151 HD1 HIS 38 HD1 HIS 38 90.976 3.329 -5.664 152 HD2 HIS 38 HD2 HIS 38 91.024 0.044 -3.131 153 HE1 HIS 38 HE1 HIS 38 89.182 3.759 -3.898 154 H ARG 39 HN ARG 39 89.651 0.153 -5.679 155 HA ARG 39 HA ARG 39 88.310 -1.299 -4.555 156 1HB ARG 39 HB2 ARG 39 88.555 -2.047 -7.227 157 2HB ARG 39 HB1 ARG 39 88.711 -3.556 -6.338 158 1HG ARG 39 HG2 ARG 39 86.489 -1.686 -5.667 159 2HG ARG 39 HG1 ARG 39 86.371 -2.706 -7.101 160 1HD ARG 39 HD2 ARG 39 85.896 -4.502 -5.874 161 2HD ARG 39 HD1 ARG 39 87.279 -4.222 -4.818 162 HE ARG 39 HE ARG 39 85.455 -2.402 -3.974 163 1HH1 ARG 39 1HH1 ARG 39 85.358 -5.857 -4.464 164 2HH1 ARG 39 2HH1 ARG 39 84.189 -6.126 -3.217 165 1HH2 ARG 39 1HH2 ARG 39 83.916 -2.755 -2.333 166 2HH2 ARG 39 2HH2 ARG 39 83.369 -4.366 -2.007 167 H SER 40 HN SER 40 91.337 -1.517 -3.983 168 HA SER 40 HA SER 40 91.059 -3.976 -2.489 169 1HB SER 40 HB2 SER 40 92.834 -5.128 -3.281 170 2HB SER 40 HB1 SER 40 92.369 -4.263 -4.751 171 HG SER 40 HG SER 40 94.703 -4.227 -3.779 172 H LEU 41 HN LEU 41 93.380 -1.280 -3.056 173 HA LEU 41 HA LEU 41 93.361 -0.070 -0.662 174 1HB LEU 41 HB2 LEU 41 95.265 -1.201 0.598 175 2HB LEU 41 HB1 LEU 41 93.694 -1.976 0.653 176 HG LEU 41 HG LEU 41 94.925 -3.123 -1.553 177 1HD1 LEU 41 1HD1 LEU 41 97.100 -3.813 -0.889 178 2HD1 LEU 41 2HD1 LEU 41 96.913 -3.097 0.712 179 3HD1 LEU 41 3HD1 LEU 41 97.045 -2.060 -0.707 180 1HD2 LEU 41 1HD2 LEU 41 94.204 -4.944 -0.505 181 2HD2 LEU 41 2HD2 LEU 41 93.735 -3.915 0.846 182 3HD2 LEU 41 3HD2 LEU 41 95.317 -4.693 0.838 183 H SER 42 HN SER 42 95.889 -1.785 -2.500 184 HA SER 42 HA SER 42 98.077 -0.306 -2.278 185 1HB SER 42 HB2 SER 42 98.710 -0.879 -4.508 186 2HB SER 42 HB1 SER 42 97.681 -2.187 -3.925 187 HG SER 42 HG SER 42 95.939 -1.169 -5.049 188 H GLY 43 HN GLY 43 95.203 0.730 -4.007 189 1HA GLY 43 HA2 GLY 43 96.455 3.330 -4.514 190 2HA GLY 43 HA1 GLY 43 95.032 2.706 -5.325 191 H CYS 44 HN CYS 44 93.084 2.995 -4.500 192 HA CYS 44 HA CYS 44 91.431 4.017 -3.261 193 1HB CYS 44 HB2 CYS 44 92.431 2.247 -1.630 194 2HB CYS 44 HB1 CYS 44 93.119 3.641 -0.806 195 HA PRO 45 HA PRO 45 93.317 8.122 -2.798 196 1HB PRO 45 HB2 PRO 45 91.488 9.513 -4.109 197 2HB PRO 45 HB1 PRO 45 92.552 8.404 -4.980 198 1HG PRO 45 HG2 PRO 45 89.688 8.080 -4.215 199 2HG PRO 45 HG1 PRO 45 90.535 7.503 -5.660 200 1HD PRO 45 HD2 PRO 45 89.947 6.013 -3.321 201 2HD PRO 45 HD1 PRO 45 90.992 5.512 -4.663 202 H HIS 46 HN HIS 46 91.288 6.813 -0.826 203 HA HIS 46 HA HIS 46 89.978 9.298 0.036 204 1HB HIS 46 HB2 HIS 46 89.318 6.566 1.069 205 2HB HIS 46 HB1 HIS 46 88.314 8.007 1.022 206 HD2 HIS 46 HD2 HIS 46 88.591 4.794 -0.745 207 HE1 HIS 46 HE1 HIS 46 86.929 7.455 -3.562 208 HE2 HIS 46 HE2 HIS 46 87.527 5.047 -3.089 209 H LYS 47 HN LYS 47 90.962 6.418 1.929 210 HA LYS 47 HA LYS 47 92.009 6.210 3.908 211 1HB LYS 47 HB2 LYS 47 94.184 7.032 4.044 212 2HB LYS 47 HB1 LYS 47 93.877 6.911 2.323 213 1HG LYS 47 HG2 LYS 47 93.208 9.452 2.634 214 2HG LYS 47 HG1 LYS 47 94.289 9.304 4.017 215 1HD LYS 47 HD2 LYS 47 95.764 8.083 2.120 216 2HD LYS 47 HD1 LYS 47 94.877 9.240 1.128 217 1HE LYS 47 HE2 LYS 47 95.582 10.957 2.935 218 2HE LYS 47 HE1 LYS 47 96.788 9.749 3.376 219 1HZ LYS 47 HZ1 LYS 47 97.315 11.586 1.617 220 2HZ LYS 47 HZ2 LYS 47 96.540 10.520 0.557 221 3HZ LYS 47 HZ3 LYS 47 97.904 10.011 1.417 222 H ASP 48 HN ASP 48 89.878 7.122 4.717 223 HA ASP 48 HA ASP 48 90.581 9.378 6.482 224 1HB ASP 48 HB2 ASP 48 88.766 9.670 4.441 225 2HB ASP 48 HB1 ASP 48 87.734 9.290 5.817 226 H ARG 49 HN ARG 49 89.465 6.241 6.174 227 HA ARG 49 HA ARG 49 88.567 4.716 7.611 228 1HB ARG 49 HB2 ARG 49 90.590 5.993 8.918 229 2HB ARG 49 HB1 ARG 49 89.266 6.184 10.057 230 1HG ARG 49 HG2 ARG 49 89.362 3.491 9.036 231 2HG ARG 49 HG1 ARG 49 90.911 3.961 9.737 232 1HD ARG 49 HD2 ARG 49 90.010 4.294 11.838 233 2HD ARG 49 HD1 ARG 49 88.383 4.547 11.209 234 HE ARG 49 HE ARG 49 89.668 1.897 11.176 235 1HH1 ARG 49 1HH1 ARG 49 86.956 3.954 11.985 236 2HH1 ARG 49 2HH1 ARG 49 85.948 2.635 12.465 237 1HH2 ARG 49 1HH2 ARG 49 88.336 0.172 11.813 238 2HH2 ARG 49 2HH2 ARG 49 86.726 0.492 12.370 239 H VAL 50 HN VAL 50 86.610 4.270 8.212 240 HA VAL 50 HA VAL 50 84.669 4.367 9.449 241 HB VAL 50 HB VAL 50 84.950 7.372 9.654 242 1HG1 VAL 50 1HG1 VAL 50 82.651 6.396 9.755 243 2HG1 VAL 50 2HG1 VAL 50 83.155 7.270 11.202 244 3HG1 VAL 50 3HG1 VAL 50 83.167 5.507 11.189 245 1HG2 VAL 50 1HG2 VAL 50 86.093 7.162 11.582 246 2HG2 VAL 50 2HG2 VAL 50 86.573 5.607 10.903 247 3HG2 VAL 50 3HG2 VAL 50 85.236 5.695 12.047 248 HA PRO 51 HA PRO 51 82.256 6.763 6.133 249 1HB PRO 51 HB2 PRO 51 84.007 8.627 4.757 250 2HB PRO 51 HB1 PRO 51 82.524 8.965 5.647 251 1HG PRO 51 HG2 PRO 51 84.992 9.750 6.484 252 2HG PRO 51 HG1 PRO 51 83.642 9.422 7.585 253 1HD PRO 51 HD2 PRO 51 85.983 7.697 6.891 254 2HD PRO 51 HD1 PRO 51 85.190 7.958 8.448 255 HA PRO 52 HA PRO 52 83.572 4.636 2.446 256 1HB PRO 52 HB2 PRO 52 83.307 6.301 0.304 257 2HB PRO 52 HB1 PRO 52 81.923 5.580 1.131 258 1HG PRO 52 HG2 PRO 52 83.098 8.315 1.454 259 2HG PRO 52 HG1 PRO 52 81.394 7.838 1.306 260 1HD PRO 52 HD2 PRO 52 82.487 8.399 3.682 261 2HD PRO 52 HD1 PRO 52 81.271 7.120 3.504 262 H GLU 53 HN GLU 53 85.816 4.308 2.838 263 HA GLU 53 HA GLU 53 87.540 5.828 1.144 264 1HB GLU 53 HB2 GLU 53 87.905 5.788 4.122 265 2HB GLU 53 HB1 GLU 53 89.181 6.250 3.007 266 1HG GLU 53 HG2 GLU 53 88.418 8.318 3.249 267 2HG GLU 53 HG1 GLU 53 87.098 7.825 2.200 268 H ILE 54 HN ILE 54 89.043 4.259 3.755 269 HA ILE 54 HA ILE 54 89.548 1.830 2.176 270 HB ILE 54 HB ILE 54 91.859 2.530 3.769 271 1HG1 ILE 54 2HG1 ILE 54 91.104 4.512 1.610 272 2HG1 ILE 54 1HG1 ILE 54 91.238 4.836 3.331 273 1HG2 ILE 54 1HG2 ILE 54 92.616 1.125 2.237 274 2HG2 ILE 54 2HG2 ILE 54 92.605 2.475 1.102 275 3HG2 ILE 54 3HG2 ILE 54 91.220 1.394 1.198 276 1HD1 ILE 54 1HD1 ILE 54 93.635 3.685 2.102 277 2HD1 ILE 54 2HD1 ILE 54 93.466 5.014 3.249 278 3HD1 ILE 54 3HD1 ILE 54 93.188 5.291 1.529 279 H LEU 55 HN LEU 55 88.195 2.952 4.832 280 HA LEU 55 HA LEU 55 89.301 1.803 7.042 281 1HB LEU 55 HB2 LEU 55 87.373 3.087 7.362 282 2HB LEU 55 HB1 LEU 55 86.425 2.100 6.276 283 HG LEU 55 HG LEU 55 87.489 0.907 8.808 284 1HD1 LEU 55 1HD1 LEU 55 85.321 1.545 9.878 285 2HD1 LEU 55 2HD1 LEU 55 85.066 2.671 8.544 286 3HD1 LEU 55 3HD1 LEU 55 86.445 2.881 9.625 287 1HD2 LEU 55 1HD2 LEU 55 85.016 -0.087 8.419 288 2HD2 LEU 55 2HD2 LEU 55 86.477 -0.799 7.734 289 3HD2 LEU 55 3HD2 LEU 55 85.474 0.271 6.755 290 H ALA 56 HN ALA 56 87.842 0.138 4.420 291 HA ALA 56 HA ALA 56 87.165 -2.289 5.531 292 1HB ALA 56 HB1 ALA 56 88.525 -2.411 2.915 293 2HB ALA 56 HB2 ALA 56 87.128 -1.346 3.035 294 3HB ALA 56 HB3 ALA 56 86.963 -3.057 3.414 295 H MET 57 HN MET 57 90.325 -1.246 4.312 296 HA MET 57 HA MET 57 91.700 -3.648 4.790 297 1HB MET 57 HB2 MET 57 92.347 -0.961 3.987 298 2HB MET 57 HB1 MET 57 93.522 -1.522 5.170 299 1HG MET 57 HG2 MET 57 92.810 -3.328 2.921 300 2HG MET 57 HG1 MET 57 93.840 -1.937 2.594 301 1HE MET 57 HE1 MET 57 93.365 -4.555 5.456 302 2HE MET 57 HE2 MET 57 94.855 -5.489 5.335 303 3HE MET 57 HE3 MET 57 93.668 -5.551 4.032 304 H HIS 58 HN HIS 58 90.906 -4.341 6.851 305 HA HIS 58 HA HIS 58 90.957 -3.046 9.253 306 1HB HIS 58 HB2 HIS 58 91.718 -5.928 8.746 307 2HB HIS 58 HB1 HIS 58 91.271 -5.260 10.310 308 HD2 HIS 58 HD2 HIS 58 88.649 -5.376 10.871 309 HE1 HIS 58 HE1 HIS 58 87.302 -6.140 6.931 310 HE2 HIS 58 HE2 HIS 58 86.649 -6.089 9.380 311 H GLU 59 HN GLU 59 93.694 -4.229 7.448 312 HA GLU 59 HA GLU 59 95.532 -3.888 9.657 313 1HB GLU 59 HB2 GLU 59 95.572 -5.450 7.407 314 2HB GLU 59 HB1 GLU 59 96.666 -4.148 6.958 315 1HG GLU 59 HG2 GLU 59 97.229 -5.053 9.625 316 2HG GLU 59 HG1 GLU 59 97.238 -6.405 8.495 317 H ASN 60 HN ASN 60 95.005 -2.354 6.487 318 HA ASN 60 HA ASN 60 96.611 -0.066 7.389 319 1HB ASN 60 HB2 ASN 60 97.139 -1.271 5.206 320 2HB ASN 60 HB1 ASN 60 95.646 -0.580 4.576 321 1HD2 ASN 60 1HD2 ASN 60 98.422 0.551 6.485 322 2HD2 ASN 60 2HD2 ASN 60 98.700 1.981 5.542 323 H VAL 61 HN VAL 61 94.387 0.116 8.700 324 HA VAL 61 HA VAL 61 92.276 1.430 7.232 325 HB VAL 61 HB VAL 61 91.281 1.816 9.495 326 1HG1 VAL 61 1HG1 VAL 61 91.051 -0.310 8.029 327 2HG1 VAL 61 2HG1 VAL 61 90.477 -0.344 9.696 328 3HG1 VAL 61 3HG1 VAL 61 92.030 -1.071 9.282 329 1HG2 VAL 61 1HG2 VAL 61 93.502 1.882 10.666 330 2HG2 VAL 61 2HG2 VAL 61 93.553 0.126 10.517 331 3HG2 VAL 61 3HG2 VAL 61 92.270 0.895 11.451 332 H LEU 62 HN LEU 62 91.678 3.610 7.383 333 HA LEU 62 HA LEU 62 91.972 5.853 7.606 334 1HB LEU 62 HB2 LEU 62 92.531 4.960 10.054 335 2HB LEU 62 HB1 LEU 62 94.121 5.566 9.637 336 HG LEU 62 HG LEU 62 91.920 7.448 9.114 337 1HD1 LEU 62 1HD1 LEU 62 92.710 7.157 11.971 338 2HD1 LEU 62 2HD1 LEU 62 91.416 6.147 11.325 339 3HD1 LEU 62 3HD1 LEU 62 91.277 7.904 11.269 340 1HD2 LEU 62 1HD2 LEU 62 93.587 8.909 10.405 341 2HD2 LEU 62 2HD2 LEU 62 94.070 8.301 8.822 342 3HD2 LEU 62 3HD2 LEU 62 94.677 7.527 10.286 343 H LYS 63 HN LYS 63 95.225 4.576 8.301 344 HA LYS 63 HA LYS 63 96.200 6.085 5.965 345 1HB LYS 63 HB2 LYS 63 96.905 6.455 8.632 346 2HB LYS 63 HB1 LYS 63 98.235 5.517 7.967 347 1HG LYS 63 HG2 LYS 63 98.944 7.665 7.588 348 2HG LYS 63 HG1 LYS 63 98.165 7.278 6.054 349 1HD LYS 63 HD2 LYS 63 96.588 8.842 6.341 350 2HD LYS 63 HD1 LYS 63 96.324 8.387 8.025 351 1HE LYS 63 HE2 LYS 63 97.440 10.183 8.698 352 2HE LYS 63 HE1 LYS 63 98.871 9.636 7.829 353 1HZ LYS 63 HZ1 LYS 63 98.331 10.888 5.981 354 2HZ LYS 63 HZ2 LYS 63 97.862 11.906 7.246 355 3HZ LYS 63 HZ3 LYS 63 96.696 11.021 6.399 Start of MODEL 12 1 H ARG 16 HN ARG 16 93.573 -10.384 -6.141 2 HA ARG 16 HA ARG 16 93.223 -13.175 -5.484 3 1HB ARG 16 HB2 ARG 16 95.572 -11.616 -4.575 4 2HB ARG 16 HB1 ARG 16 94.762 -12.582 -3.350 5 1HG ARG 16 HG2 ARG 16 95.028 -14.571 -4.768 6 2HG ARG 16 HG1 ARG 16 95.893 -13.590 -5.953 7 1HD ARG 16 HD2 ARG 16 97.791 -13.844 -4.827 8 2HD ARG 16 HD1 ARG 16 97.049 -13.184 -3.371 9 HE ARG 16 HE ARG 16 96.758 -15.321 -2.573 10 1HH1 ARG 16 1HH1 ARG 16 97.704 -15.456 -5.930 11 2HH1 ARG 16 2HH1 ARG 16 97.991 -17.165 -5.908 12 1HH2 ARG 16 1HH2 ARG 16 97.131 -17.565 -2.545 13 2HH2 ARG 16 2HH2 ARG 16 97.664 -18.361 -3.988 14 H GLU 17 HN GLU 17 91.142 -11.736 -5.505 15 HA GLU 17 HA GLU 17 89.359 -11.007 -4.294 16 1HB GLU 17 HB2 GLU 17 90.695 -12.725 -2.589 17 2HB GLU 17 HB1 GLU 17 90.524 -11.264 -1.626 18 1HG GLU 17 HG2 GLU 17 88.378 -11.661 -1.264 19 2HG GLU 17 HG1 GLU 17 88.062 -11.888 -2.983 20 H SER 18 HN SER 18 88.614 -9.204 -3.000 21 HA SER 18 HA SER 18 90.295 -6.902 -3.319 22 1HB SER 18 HB2 SER 18 88.352 -5.676 -2.346 23 2HB SER 18 HB1 SER 18 87.906 -6.703 -3.708 24 HG SER 18 HG SER 18 87.729 -7.644 -1.056 25 H LYS 19 HN LYS 19 91.015 -5.474 -1.652 26 HA LYS 19 HA LYS 19 91.169 -6.727 0.999 27 1HB LYS 19 HB2 LYS 19 93.303 -5.465 -0.646 28 2HB LYS 19 HB1 LYS 19 93.399 -5.324 1.101 29 1HG LYS 19 HG2 LYS 19 94.575 -7.234 0.866 30 2HG LYS 19 HG1 LYS 19 92.961 -7.949 0.915 31 1HD LYS 19 HD2 LYS 19 93.708 -8.951 -0.983 32 2HD LYS 19 HD1 LYS 19 93.110 -7.453 -1.700 33 1HE LYS 19 HE2 LYS 19 95.239 -7.694 -2.621 34 2HE LYS 19 HE1 LYS 19 95.480 -6.551 -1.301 35 1HZ LYS 19 HZ1 LYS 19 96.511 -9.225 -1.632 36 2HZ LYS 19 HZ2 LYS 19 95.892 -8.916 -0.088 37 3HZ LYS 19 HZ3 LYS 19 97.117 -7.935 -0.719 38 H CYS 20 HN CYS 20 90.656 -3.858 -0.824 39 HA CYS 20 HA CYS 20 90.245 -2.315 1.646 40 1HB CYS 20 HB2 CYS 20 91.893 -1.482 -0.061 41 2HB CYS 20 HB1 CYS 20 90.536 -1.226 -1.149 42 HA PRO 21 HA PRO 21 86.112 -2.560 -0.739 43 1HB PRO 21 HB2 PRO 21 84.864 -4.735 0.206 44 2HB PRO 21 HB1 PRO 21 85.974 -4.837 -1.167 45 1HG PRO 21 HG2 PRO 21 86.460 -5.492 1.715 46 2HG PRO 21 HG1 PRO 21 86.944 -6.393 0.267 47 1HD PRO 21 HD2 PRO 21 88.620 -4.731 1.645 48 2HD PRO 21 HD1 PRO 21 88.784 -5.076 -0.088 49 H THR 22 HN THR 22 86.149 -0.722 0.826 50 HA THR 22 HA THR 22 85.032 -1.278 3.446 51 HB THR 22 HB THR 22 85.348 1.495 2.358 52 HG1 THR 22 HG1 THR 22 87.288 0.548 1.808 53 1HG2 THR 22 1HG2 THR 22 84.534 1.518 4.539 54 2HG2 THR 22 2HG2 THR 22 86.261 1.832 4.695 55 3HG2 THR 22 3HG2 THR 22 85.620 0.227 5.050 56 HA PRO 23 HA PRO 23 80.723 -1.058 2.542 57 1HB PRO 23 HB2 PRO 23 80.719 0.979 4.737 58 2HB PRO 23 HB1 PRO 23 79.635 -0.394 4.480 59 1HG PRO 23 HG2 PRO 23 81.598 -0.528 6.278 60 2HG PRO 23 HG1 PRO 23 81.173 -1.931 5.281 61 1HD PRO 23 HD2 PRO 23 83.536 -0.147 5.125 62 2HD PRO 23 HD1 PRO 23 83.371 -1.847 4.651 63 H GLY 24 HN GLY 24 82.605 1.881 2.941 64 1HA GLY 24 HA2 GLY 24 80.739 3.268 1.129 65 2HA GLY 24 HA1 GLY 24 81.752 4.074 2.314 66 H CYS 25 HN CYS 25 84.082 2.286 1.557 67 HA CYS 25 HA CYS 25 85.351 4.007 -0.213 68 1HB CYS 25 HB2 CYS 25 86.871 2.572 0.910 69 2HB CYS 25 HB1 CYS 25 85.898 1.144 0.535 70 H ASP 26 HN ASP 26 85.675 4.021 -2.438 71 HA ASP 26 HA ASP 26 83.511 2.889 -3.959 72 1HB ASP 26 HB2 ASP 26 84.594 5.234 -4.207 73 2HB ASP 26 HB1 ASP 26 85.833 4.392 -5.130 74 H GLY 27 HN GLY 27 87.053 2.621 -3.935 75 1HA GLY 27 HA2 GLY 27 88.402 0.859 -4.587 76 2HA GLY 27 HA1 GLY 27 86.949 -0.111 -4.752 77 H THR 28 HN THR 28 87.122 2.870 -6.394 78 HA THR 28 HA THR 28 87.975 1.692 -8.860 79 HB THR 28 HB THR 28 85.365 1.663 -8.299 80 HG1 THR 28 HG1 THR 28 86.117 2.293 -10.932 81 1HG2 THR 28 1HG2 THR 28 84.105 3.405 -8.987 82 2HG2 THR 28 2HG2 THR 28 85.325 3.988 -10.121 83 3HG2 THR 28 3HG2 THR 28 85.508 4.296 -8.394 84 H GLY 29 HN GLY 29 89.386 3.469 -7.345 85 1HA GLY 29 HA2 GLY 29 89.804 5.591 -9.202 86 2HA GLY 29 HA1 GLY 29 89.009 6.176 -7.752 87 H HIS 30 HN HIS 30 91.324 3.565 -7.700 88 HA HIS 30 HA HIS 30 93.045 3.440 -6.056 89 1HB HIS 30 HB2 HIS 30 93.550 3.601 -8.597 90 2HB HIS 30 HB1 HIS 30 94.400 5.053 -8.152 91 HD2 HIS 30 HD2 HIS 30 94.620 1.186 -7.672 92 HE1 HIS 30 HE1 HIS 30 98.342 2.943 -6.712 93 HE2 HIS 30 HE2 HIS 30 97.059 0.766 -6.911 94 H VAL 31 HN VAL 31 95.264 4.878 -5.702 95 HA VAL 31 HA VAL 31 94.574 6.720 -3.728 96 HB VAL 31 HB VAL 31 96.712 5.502 -3.812 97 1HG1 VAL 31 1HG1 VAL 31 98.186 7.449 -5.338 98 2HG1 VAL 31 2HG1 VAL 31 96.956 6.670 -6.332 99 3HG1 VAL 31 3HG1 VAL 31 98.155 5.693 -5.485 100 1HG2 VAL 31 1HG2 VAL 31 98.022 7.227 -2.778 101 2HG2 VAL 31 2HG2 VAL 31 96.331 7.465 -2.341 102 3HG2 VAL 31 3HG2 VAL 31 97.075 8.483 -3.574 103 H THR 32 HN THR 32 94.851 7.419 -7.136 104 HA THR 32 HA THR 32 94.481 10.234 -6.434 105 HB THR 32 HB THR 32 95.974 10.995 -8.067 106 HG1 THR 32 HG1 THR 32 96.896 9.475 -9.613 107 1HG2 THR 32 1HG2 THR 32 98.103 9.910 -7.766 108 2HG2 THR 32 2HG2 THR 32 97.312 8.475 -7.117 109 3HG2 THR 32 3HG2 THR 32 97.246 9.997 -6.227 110 H GLY 33 HN GLY 33 93.005 7.633 -7.613 111 1HA GLY 33 HA2 GLY 33 91.163 7.330 -8.949 112 2HA GLY 33 HA1 GLY 33 91.035 9.075 -8.983 113 H LEU 34 HN LEU 34 94.022 7.784 -9.917 114 HA LEU 34 HA LEU 34 93.337 8.252 -12.729 115 1HB LEU 34 HB2 LEU 34 96.073 8.617 -11.567 116 2HB LEU 34 HB1 LEU 34 95.483 9.135 -13.143 117 HG LEU 34 HG LEU 34 94.267 10.140 -10.632 118 1HD1 LEU 34 1HD1 LEU 34 96.023 11.419 -10.126 119 2HD1 LEU 34 2HD1 LEU 34 96.050 12.076 -11.762 120 3HD1 LEU 34 3HD1 LEU 34 96.943 10.602 -11.388 121 1HD2 LEU 34 1HD2 LEU 34 92.895 10.756 -12.355 122 2HD2 LEU 34 2HD2 LEU 34 94.225 10.906 -13.503 123 3HD2 LEU 34 3HD2 LEU 34 93.972 12.150 -12.280 124 H TYR 35 HN TYR 35 93.658 5.819 -10.753 125 HA TYR 35 HA TYR 35 95.356 4.265 -12.610 126 1HB TYR 35 HB2 TYR 35 94.683 3.482 -9.788 127 2HB TYR 35 HB1 TYR 35 95.810 2.682 -10.854 128 HD1 TYR 35 HD1 TYR 35 95.368 6.229 -9.809 129 HD2 TYR 35 HD2 TYR 35 97.951 2.875 -10.034 130 HE1 TYR 35 HE1 TYR 35 97.183 7.570 -8.831 131 HE2 TYR 35 HE2 TYR 35 99.782 4.206 -9.080 132 HH TYR 35 HH TYR 35 99.887 6.326 -7.519 133 HA PRO 36 HA PRO 36 91.869 1.747 -13.525 134 1HB PRO 36 HB2 PRO 36 93.181 -0.803 -13.096 135 2HB PRO 36 HB1 PRO 36 92.783 -0.011 -14.620 136 1HG PRO 36 HG2 PRO 36 95.338 -0.348 -13.726 137 2HG PRO 36 HG1 PRO 36 94.841 0.978 -14.793 138 1HD PRO 36 HD2 PRO 36 95.298 0.994 -11.834 139 2HD PRO 36 HD1 PRO 36 95.730 2.218 -13.049 140 H HIS 37 HN HIS 37 91.895 2.531 -10.757 141 HA HIS 37 HA HIS 37 90.502 2.095 -9.006 142 1HB HIS 37 HB2 HIS 37 90.305 -0.810 -9.717 143 2HB HIS 37 HB1 HIS 37 89.161 0.197 -8.850 144 HD2 HIS 37 HD2 HIS 37 88.292 2.415 -10.819 145 HE1 HIS 37 HE1 HIS 37 88.012 -0.592 -13.783 146 HE2 HIS 37 HE2 HIS 37 87.207 1.703 -13.066 147 H HIS 38 HN HIS 38 90.474 0.266 -7.201 148 HA HIS 38 HA HIS 38 93.098 -0.846 -6.731 149 1HB HIS 38 HB2 HIS 38 93.572 0.308 -4.704 150 2HB HIS 38 HB1 HIS 38 93.204 1.536 -5.914 151 HD1 HIS 38 HD1 HIS 38 91.202 2.996 -5.508 152 HD2 HIS 38 HD2 HIS 38 91.574 -0.084 -2.755 153 HE1 HIS 38 HE1 HIS 38 89.406 3.410 -3.731 154 H ARG 39 HN ARG 39 93.150 -2.333 -4.967 155 HA ARG 39 HA ARG 39 90.662 -2.871 -3.588 156 1HB ARG 39 HB2 ARG 39 91.440 -4.376 -5.904 157 2HB ARG 39 HB1 ARG 39 91.511 -5.421 -4.491 158 1HG ARG 39 HG2 ARG 39 89.199 -4.759 -3.930 159 2HG ARG 39 HG1 ARG 39 89.142 -3.811 -5.416 160 1HD ARG 39 HD2 ARG 39 89.782 -6.003 -6.594 161 2HD ARG 39 HD1 ARG 39 89.312 -6.786 -5.085 162 HE ARG 39 HE ARG 39 87.355 -4.978 -6.222 163 1HH1 ARG 39 1HH1 ARG 39 88.473 -8.279 -5.974 164 2HH1 ARG 39 2HH1 ARG 39 86.944 -8.957 -6.421 165 1HH2 ARG 39 1HH2 ARG 39 85.351 -5.871 -6.809 166 2HH2 ARG 39 2HH2 ARG 39 85.173 -7.592 -6.897 167 H SER 40 HN SER 40 93.162 -1.900 -2.701 168 HA SER 40 HA SER 40 93.638 -3.722 -0.587 169 1HB SER 40 HB2 SER 40 95.853 -4.476 -1.070 170 2HB SER 40 HB1 SER 40 94.838 -4.856 -2.461 171 HG SER 40 HG SER 40 95.713 -3.112 -3.547 172 H LEU 41 HN LEU 41 93.336 -0.696 -1.237 173 HA LEU 41 HA LEU 41 93.912 1.158 -0.050 174 1HB LEU 41 HB2 LEU 41 96.106 -0.354 1.330 175 2HB LEU 41 HB1 LEU 41 95.231 1.058 1.890 176 HG LEU 41 HG LEU 41 93.296 -0.960 1.528 177 1HD1 LEU 41 1HD1 LEU 41 95.854 -2.106 2.152 178 2HD1 LEU 41 2HD1 LEU 41 94.300 -2.904 1.909 179 3HD1 LEU 41 3HD1 LEU 41 94.752 -2.317 3.510 180 1HD2 LEU 41 1HD2 LEU 41 93.959 0.955 3.378 181 2HD2 LEU 41 2HD2 LEU 41 94.224 -0.544 4.265 182 3HD2 LEU 41 3HD2 LEU 41 92.652 -0.218 3.535 183 H SER 42 HN SER 42 96.570 -0.781 -1.364 184 HA SER 42 HA SER 42 98.670 0.875 -1.531 185 1HB SER 42 HB2 SER 42 97.497 -0.767 -3.787 186 2HB SER 42 HB1 SER 42 99.091 -0.017 -3.853 187 HG SER 42 HG SER 42 98.266 -1.839 -1.841 188 H GLY 43 HN GLY 43 95.657 1.226 -3.265 189 1HA GLY 43 HA2 GLY 43 96.584 3.767 -4.381 190 2HA GLY 43 HA1 GLY 43 95.274 2.803 -5.034 191 H CYS 44 HN CYS 44 93.302 2.851 -4.122 192 HA CYS 44 HA CYS 44 91.480 3.905 -3.196 193 1HB CYS 44 HB2 CYS 44 92.694 2.648 -1.248 194 2HB CYS 44 HB1 CYS 44 93.035 4.276 -0.669 195 HA PRO 45 HA PRO 45 92.602 8.276 -3.606 196 1HB PRO 45 HB2 PRO 45 90.348 9.114 -4.748 197 2HB PRO 45 HB1 PRO 45 91.503 8.126 -5.644 198 1HG PRO 45 HG2 PRO 45 88.932 7.336 -4.344 199 2HG PRO 45 HG1 PRO 45 89.602 6.810 -5.894 200 1HD PRO 45 HD2 PRO 45 89.746 5.372 -3.524 201 2HD PRO 45 HD1 PRO 45 90.814 5.139 -4.921 202 H HIS 46 HN HIS 46 90.961 6.952 -1.220 203 HA HIS 46 HA HIS 46 89.496 9.375 -0.488 204 1HB HIS 46 HB2 HIS 46 89.294 6.716 0.895 205 2HB HIS 46 HB1 HIS 46 88.104 8.007 0.797 206 HD2 HIS 46 HD2 HIS 46 88.570 4.676 -0.627 207 HE1 HIS 46 HE1 HIS 46 86.677 6.832 -3.704 208 HE2 HIS 46 HE2 HIS 46 87.493 4.560 -2.968 209 H LYS 47 HN LYS 47 90.775 6.990 1.827 210 HA LYS 47 HA LYS 47 92.425 7.133 3.388 211 1HB LYS 47 HB2 LYS 47 93.375 8.793 1.360 212 2HB LYS 47 HB1 LYS 47 93.508 9.757 2.822 213 1HG LYS 47 HG2 LYS 47 94.698 7.810 3.869 214 2HG LYS 47 HG1 LYS 47 94.731 7.072 2.267 215 1HD LYS 47 HD2 LYS 47 96.452 8.342 1.630 216 2HD LYS 47 HD1 LYS 47 95.651 9.814 2.184 217 1HE LYS 47 HE2 LYS 47 96.431 9.431 4.441 218 2HE LYS 47 HE1 LYS 47 97.139 7.889 3.965 219 1HZ LYS 47 HZ1 LYS 47 98.983 9.126 3.743 220 2HZ LYS 47 HZ2 LYS 47 98.137 10.580 3.578 221 3HZ LYS 47 HZ3 LYS 47 98.321 9.555 2.246 222 H ASP 48 HN ASP 48 90.196 7.533 4.532 223 HA ASP 48 HA ASP 48 90.747 9.737 6.354 224 1HB ASP 48 HB2 ASP 48 88.968 10.340 4.434 225 2HB ASP 48 HB1 ASP 48 87.888 9.576 5.589 226 H ARG 49 HN ARG 49 90.790 6.814 6.253 227 HA ARG 49 HA ARG 49 90.005 4.955 7.349 228 1HB ARG 49 HB2 ARG 49 90.363 5.136 9.755 229 2HB ARG 49 HB1 ARG 49 91.645 5.928 8.852 230 1HG ARG 49 HG2 ARG 49 90.163 8.058 9.252 231 2HG ARG 49 HG1 ARG 49 89.533 7.098 10.588 232 1HD ARG 49 HD2 ARG 49 91.303 7.682 11.795 233 2HD ARG 49 HD1 ARG 49 92.331 6.818 10.651 234 HE ARG 49 HE ARG 49 91.591 9.555 9.976 235 1HH1 ARG 49 1HH1 ARG 49 94.013 7.367 11.228 236 2HH1 ARG 49 2HH1 ARG 49 95.318 8.473 10.974 237 1HH2 ARG 49 1HH2 ARG 49 93.312 11.008 9.650 238 2HH2 ARG 49 2HH2 ARG 49 94.921 10.538 10.082 239 H VAL 50 HN VAL 50 87.770 6.158 6.311 240 HA VAL 50 HA VAL 50 85.816 5.457 8.382 241 HB VAL 50 HB VAL 50 84.278 7.249 7.459 242 1HG1 VAL 50 1HG1 VAL 50 86.542 8.680 8.698 243 2HG1 VAL 50 2HG1 VAL 50 85.940 7.269 9.566 244 3HG1 VAL 50 3HG1 VAL 50 84.847 8.598 9.180 245 1HG2 VAL 50 1HG2 VAL 50 84.991 8.860 6.040 246 2HG2 VAL 50 2HG2 VAL 50 86.083 7.577 5.524 247 3HG2 VAL 50 3HG2 VAL 50 86.647 8.812 6.647 248 HA PRO 51 HA PRO 51 83.577 2.696 5.849 249 1HB PRO 51 HB2 PRO 51 81.455 4.717 5.493 250 2HB PRO 51 HB1 PRO 51 81.360 3.085 6.151 251 1HG PRO 51 HG2 PRO 51 81.574 5.557 7.588 252 2HG PRO 51 HG1 PRO 51 81.466 3.917 8.244 253 1HD PRO 51 HD2 PRO 51 83.686 5.554 8.449 254 2HD PRO 51 HD1 PRO 51 83.726 3.782 8.568 255 HA PRO 52 HA PRO 52 83.284 5.133 1.833 256 1HB PRO 52 HB2 PRO 52 83.097 7.781 1.738 257 2HB PRO 52 HB1 PRO 52 81.729 6.784 2.242 258 1HG PRO 52 HG2 PRO 52 83.558 8.455 3.879 259 2HG PRO 52 HG1 PRO 52 81.849 8.072 4.137 260 1HD PRO 52 HD2 PRO 52 84.086 6.835 5.355 261 2HD PRO 52 HD1 PRO 52 82.394 6.330 5.473 262 H GLU 53 HN GLU 53 85.899 4.754 3.197 263 HA GLU 53 HA GLU 53 87.437 6.315 1.348 264 1HB GLU 53 HB2 GLU 53 88.077 6.313 4.284 265 2HB GLU 53 HB1 GLU 53 89.073 7.031 3.027 266 1HG GLU 53 HG2 GLU 53 86.258 7.929 3.257 267 2HG GLU 53 HG1 GLU 53 87.395 8.443 4.482 268 H ILE 54 HN ILE 54 89.138 4.858 3.925 269 HA ILE 54 HA ILE 54 89.815 2.528 2.247 270 HB ILE 54 HB ILE 54 91.925 3.595 4.039 271 1HG1 ILE 54 2HG1 ILE 54 91.038 5.005 1.525 272 2HG1 ILE 54 1HG1 ILE 54 91.381 5.680 3.107 273 1HG2 ILE 54 1HG2 ILE 54 93.397 2.682 2.424 274 2HG2 ILE 54 2HG2 ILE 54 92.114 2.552 1.226 275 3HG2 ILE 54 3HG2 ILE 54 92.091 1.520 2.651 276 1HD1 ILE 54 1HD1 ILE 54 93.455 4.483 1.290 277 2HD1 ILE 54 2HD1 ILE 54 93.734 5.345 2.802 278 3HD1 ILE 54 3HD1 ILE 54 93.088 6.204 1.405 279 H LEU 55 HN LEU 55 88.401 3.452 4.990 280 HA LEU 55 HA LEU 55 89.561 2.077 7.070 281 1HB LEU 55 HB2 LEU 55 87.633 3.628 7.246 282 2HB LEU 55 HB1 LEU 55 86.602 2.357 6.615 283 HG LEU 55 HG LEU 55 87.236 0.953 8.593 284 1HD1 LEU 55 1HD1 LEU 55 88.647 1.639 10.199 285 2HD1 LEU 55 2HD1 LEU 55 88.102 3.314 10.110 286 3HD1 LEU 55 3HD1 LEU 55 89.270 2.703 8.938 287 1HD2 LEU 55 1HD2 LEU 55 85.129 1.936 8.742 288 2HD2 LEU 55 2HD2 LEU 55 85.794 3.563 8.892 289 3HD2 LEU 55 3HD2 LEU 55 85.925 2.430 10.237 290 H ALA 56 HN ALA 56 88.162 0.690 4.320 291 HA ALA 56 HA ALA 56 86.911 -1.576 4.814 292 1HB ALA 56 HB1 ALA 56 87.458 -1.611 2.642 293 2HB ALA 56 HB2 ALA 56 88.794 -2.626 3.173 294 3HB ALA 56 HB3 ALA 56 89.043 -0.899 2.923 295 H MET 57 HN MET 57 90.466 -1.580 4.960 296 HA MET 57 HA MET 57 90.653 -4.134 6.116 297 1HB MET 57 HB2 MET 57 92.550 -1.828 5.844 298 2HB MET 57 HB1 MET 57 93.007 -3.246 6.779 299 1HG MET 57 HG2 MET 57 92.008 -4.277 4.404 300 2HG MET 57 HG1 MET 57 92.933 -2.859 3.913 301 1HE MET 57 HE1 MET 57 94.000 -6.676 5.870 302 2HE MET 57 HE2 MET 57 94.071 -6.775 4.111 303 3HE MET 57 HE3 MET 57 92.609 -6.187 4.903 304 H HIS 58 HN HIS 58 91.079 -4.821 8.206 305 HA HIS 58 HA HIS 58 89.929 -3.154 10.279 306 1HB HIS 58 HB2 HIS 58 90.310 -5.986 9.832 307 2HB HIS 58 HB1 HIS 58 90.889 -5.533 11.431 308 HD2 HIS 58 HD2 HIS 58 88.867 -4.169 13.019 309 HE1 HIS 58 HE1 HIS 58 85.747 -6.050 10.865 310 HE2 HIS 58 HE2 HIS 58 86.378 -4.897 13.034 311 H GLU 59 HN GLU 59 90.983 -2.363 12.070 312 HA GLU 59 HA GLU 59 92.700 -1.714 13.427 313 1HB GLU 59 HB2 GLU 59 93.406 -4.176 13.134 314 2HB GLU 59 HB1 GLU 59 94.565 -3.566 11.961 315 1HG GLU 59 HG2 GLU 59 94.872 -1.956 14.224 316 2HG GLU 59 HG1 GLU 59 94.708 -3.602 14.829 317 H ASN 60 HN ASN 60 94.141 -2.418 10.231 318 HA ASN 60 HA ASN 60 95.745 -0.076 10.242 319 1HB ASN 60 HB2 ASN 60 96.217 -2.161 8.914 320 2HB ASN 60 HB1 ASN 60 94.905 -1.700 7.833 321 1HD2 ASN 60 1HD2 ASN 60 95.338 -0.388 6.196 322 2HD2 ASN 60 2HD2 ASN 60 96.823 0.485 5.974 323 H VAL 61 HN VAL 61 94.234 1.571 10.753 324 HA VAL 61 HA VAL 61 92.093 2.177 8.912 325 HB VAL 61 HB VAL 61 91.764 4.181 10.353 326 1HG1 VAL 61 1HG1 VAL 61 91.977 1.700 12.032 327 2HG1 VAL 61 2HG1 VAL 61 90.751 1.896 10.779 328 3HG1 VAL 61 3HG1 VAL 61 90.795 3.005 12.149 329 1HG2 VAL 61 1HG2 VAL 61 94.401 3.491 11.228 330 2HG2 VAL 61 2HG2 VAL 61 93.298 3.493 12.603 331 3HG2 VAL 61 3HG2 VAL 61 93.448 4.929 11.589 332 H LEU 62 HN LEU 62 92.032 3.804 7.396 333 HA LEU 62 HA LEU 62 92.773 5.424 5.975 334 1HB LEU 62 HB2 LEU 62 93.472 6.428 8.297 335 2HB LEU 62 HB1 LEU 62 95.094 6.045 7.753 336 HG LEU 62 HG LEU 62 93.679 7.461 5.680 337 1HD1 LEU 62 1HD1 LEU 62 92.821 9.282 6.672 338 2HD1 LEU 62 2HD1 LEU 62 94.084 9.332 7.901 339 3HD1 LEU 62 3HD1 LEU 62 92.709 8.245 8.094 340 1HD2 LEU 62 1HD2 LEU 62 96.182 7.787 7.281 341 2HD2 LEU 62 2HD2 LEU 62 95.626 9.092 6.231 342 3HD2 LEU 62 3HD2 LEU 62 95.984 7.505 5.551 343 H LYS 63 HN LYS 63 95.786 4.215 7.455 344 HA LYS 63 HA LYS 63 96.518 2.625 5.233 345 1HB LYS 63 HB2 LYS 63 97.156 5.445 5.074 346 2HB LYS 63 HB1 LYS 63 98.619 4.470 5.069 347 1HG LYS 63 HG2 LYS 63 96.513 3.471 3.304 348 2HG LYS 63 HG1 LYS 63 97.123 5.070 2.879 349 1HD LYS 63 HD2 LYS 63 99.103 2.956 3.542 350 2HD LYS 63 HD1 LYS 63 98.267 2.846 1.991 351 1HE LYS 63 HE2 LYS 63 100.311 4.060 1.672 352 2HE LYS 63 HE1 LYS 63 98.960 5.183 1.516 353 1HZ LYS 63 HZ1 LYS 63 100.627 4.836 3.950 354 2HZ LYS 63 HZ2 LYS 63 99.361 5.940 3.764 355 3HZ LYS 63 HZ3 LYS 63 100.768 6.106 2.841 Start of MODEL 13 1 H ARG 16 HN ARG 16 93.467 -12.274 -4.534 2 HA ARG 16 HA ARG 16 91.372 -12.181 -3.644 3 1HB ARG 16 HB2 ARG 16 92.614 -10.971 -1.782 4 2HB ARG 16 HB1 ARG 16 92.087 -9.470 -2.528 5 1HG ARG 16 HG2 ARG 16 90.398 -9.693 -1.054 6 2HG ARG 16 HG1 ARG 16 89.723 -10.698 -2.336 7 1HD ARG 16 HD2 ARG 16 90.245 -12.672 -1.240 8 2HD ARG 16 HD1 ARG 16 91.493 -11.908 -0.253 9 HE ARG 16 HE ARG 16 89.106 -10.729 0.474 10 1HH1 ARG 16 1HH1 ARG 16 90.456 -13.946 0.488 11 2HH1 ARG 16 2HH1 ARG 16 89.545 -14.456 1.870 12 1HH2 ARG 16 1HH2 ARG 16 87.908 -11.395 2.288 13 2HH2 ARG 16 2HH2 ARG 16 88.098 -13.006 2.893 14 H GLU 17 HN GLU 17 89.306 -11.289 -4.101 15 HA GLU 17 HA GLU 17 89.196 -9.883 -6.585 16 1HB GLU 17 HB2 GLU 17 87.489 -11.559 -5.121 17 2HB GLU 17 HB1 GLU 17 86.650 -10.015 -5.217 18 1HG GLU 17 HG2 GLU 17 86.347 -10.160 -7.455 19 2HG GLU 17 HG1 GLU 17 87.850 -11.043 -7.717 20 H SER 18 HN SER 18 88.707 -9.046 -3.215 21 HA SER 18 HA SER 18 88.942 -6.248 -3.816 22 1HB SER 18 HB2 SER 18 86.747 -5.715 -2.595 23 2HB SER 18 HB1 SER 18 86.621 -6.299 -4.254 24 HG SER 18 HG SER 18 86.621 -8.343 -2.461 25 H LYS 19 HN LYS 19 90.290 -5.557 -2.291 26 HA LYS 19 HA LYS 19 90.239 -6.818 0.340 27 1HB LYS 19 HB2 LYS 19 92.308 -5.032 -0.898 28 2HB LYS 19 HB1 LYS 19 92.452 -5.839 0.655 29 1HG LYS 19 HG2 LYS 19 92.115 -8.009 -0.685 30 2HG LYS 19 HG1 LYS 19 92.510 -7.018 -2.093 31 1HD LYS 19 HD2 LYS 19 94.487 -6.289 -0.424 32 2HD LYS 19 HD1 LYS 19 94.217 -7.946 0.119 33 1HE LYS 19 HE2 LYS 19 94.861 -8.855 -1.894 34 2HE LYS 19 HE1 LYS 19 94.434 -7.406 -2.804 35 1HZ LYS 19 HZ1 LYS 19 96.423 -6.521 -1.221 36 2HZ LYS 19 HZ2 LYS 19 96.627 -7.053 -2.814 37 3HZ LYS 19 HZ3 LYS 19 96.922 -8.109 -1.525 38 H CYS 20 HN CYS 20 91.110 -3.604 -0.705 39 HA CYS 20 HA CYS 20 90.413 -2.266 1.622 40 1HB CYS 20 HB2 CYS 20 91.821 -1.294 -0.171 41 2HB CYS 20 HB1 CYS 20 90.382 -1.111 -1.168 42 HA PRO 21 HA PRO 21 86.229 -1.225 -0.851 43 1HB PRO 21 HB2 PRO 21 85.837 -4.097 -1.571 44 2HB PRO 21 HB1 PRO 21 85.275 -2.644 -2.410 45 1HG PRO 21 HG2 PRO 21 87.385 -3.982 -3.319 46 2HG PRO 21 HG1 PRO 21 87.374 -2.208 -3.327 47 1HD PRO 21 HD2 PRO 21 88.805 -4.091 -1.516 48 2HD PRO 21 HD1 PRO 21 89.306 -2.497 -2.102 49 H THR 22 HN THR 22 86.375 -1.138 1.601 50 HA THR 22 HA THR 22 85.103 -3.331 2.999 51 HB THR 22 HB THR 22 86.831 -1.287 3.710 52 HG1 THR 22 HG1 THR 22 86.341 -3.407 4.700 53 1HG2 THR 22 1HG2 THR 22 84.192 -0.701 5.029 54 2HG2 THR 22 2HG2 THR 22 85.096 0.370 3.962 55 3HG2 THR 22 3HG2 THR 22 85.759 -0.074 5.533 56 HA PRO 23 HA PRO 23 80.780 -2.325 3.177 57 1HB PRO 23 HB2 PRO 23 80.736 -0.659 5.539 58 2HB PRO 23 HB1 PRO 23 80.109 -2.292 5.331 59 1HG PRO 23 HG2 PRO 23 82.659 -1.405 6.487 60 2HG PRO 23 HG1 PRO 23 81.811 -2.948 6.684 61 1HD PRO 23 HD2 PRO 23 84.097 -2.728 5.274 62 2HD PRO 23 HD1 PRO 23 82.827 -3.879 4.823 63 H GLY 24 HN GLY 24 83.064 0.274 3.727 64 1HA GLY 24 HA2 GLY 24 81.173 2.243 2.689 65 2HA GLY 24 HA1 GLY 24 82.717 2.592 3.447 66 H CYS 25 HN CYS 25 84.691 1.977 2.184 67 HA CYS 25 HA CYS 25 84.922 3.272 -0.155 68 1HB CYS 25 HB2 CYS 25 86.846 2.213 1.096 69 2HB CYS 25 HB1 CYS 25 86.416 0.687 0.313 70 H ASP 26 HN ASP 26 85.141 2.699 -2.394 71 HA ASP 26 HA ASP 26 83.233 0.599 -3.173 72 1HB ASP 26 HB2 ASP 26 82.845 3.066 -3.802 73 2HB ASP 26 HB1 ASP 26 84.176 2.854 -4.932 74 H GLY 27 HN GLY 27 86.438 1.936 -3.780 75 1HA GLY 27 HA2 GLY 27 88.322 0.671 -4.404 76 2HA GLY 27 HA1 GLY 27 87.255 -0.616 -4.911 77 H THR 28 HN THR 28 87.710 2.746 -5.737 78 HA THR 28 HA THR 28 88.422 2.146 -8.417 79 HB THR 28 HB THR 28 85.691 2.736 -7.677 80 HG1 THR 28 HG1 THR 28 86.337 2.352 -10.332 81 1HG2 THR 28 1HG2 THR 28 86.209 5.036 -8.277 82 2HG2 THR 28 2HG2 THR 28 85.123 4.290 -9.450 83 3HG2 THR 28 3HG2 THR 28 86.833 4.495 -9.834 84 H GLY 29 HN GLY 29 89.650 3.738 -9.292 85 1HA GLY 29 HA2 GLY 29 90.406 5.922 -9.647 86 2HA GLY 29 HA1 GLY 29 89.468 6.461 -8.264 87 H HIS 30 HN HIS 30 91.529 3.708 -7.901 88 HA HIS 30 HA HIS 30 93.088 3.456 -6.137 89 1HB HIS 30 HB2 HIS 30 93.883 3.662 -8.610 90 2HB HIS 30 HB1 HIS 30 94.745 5.048 -8.028 91 HD2 HIS 30 HD2 HIS 30 94.579 1.189 -7.317 92 HE1 HIS 30 HE1 HIS 30 98.475 2.618 -6.544 93 HE2 HIS 30 HE2 HIS 30 96.957 0.594 -6.486 94 H VAL 31 HN VAL 31 95.407 5.040 -5.756 95 HA VAL 31 HA VAL 31 94.435 6.875 -3.808 96 HB VAL 31 HB VAL 31 96.526 5.741 -3.403 97 1HG1 VAL 31 1HG1 VAL 31 98.132 7.290 -5.293 98 2HG1 VAL 31 2HG1 VAL 31 97.054 6.114 -6.043 99 3HG1 VAL 31 3HG1 VAL 31 98.232 5.589 -4.840 100 1HG2 VAL 31 1HG2 VAL 31 96.160 8.006 -2.445 101 2HG2 VAL 31 2HG2 VAL 31 97.098 8.669 -3.784 102 3HG2 VAL 31 3HG2 VAL 31 97.858 7.570 -2.635 103 H THR 32 HN THR 32 95.669 7.334 -7.090 104 HA THR 32 HA THR 32 95.174 10.214 -6.749 105 HB THR 32 HB THR 32 96.903 10.678 -8.279 106 HG1 THR 32 HG1 THR 32 97.894 8.537 -9.218 107 1HG2 THR 32 1HG2 THR 32 98.137 8.240 -7.097 108 2HG2 THR 32 2HG2 THR 32 97.663 9.581 -6.049 109 3HG2 THR 32 3HG2 THR 32 98.828 9.842 -7.346 110 H GLY 33 HN GLY 33 93.694 7.579 -7.904 111 1HA GLY 33 HA2 GLY 33 92.002 7.280 -9.425 112 2HA GLY 33 HA1 GLY 33 92.035 9.015 -9.658 113 H LEU 34 HN LEU 34 95.047 7.570 -10.061 114 HA LEU 34 HA LEU 34 94.803 7.882 -12.951 115 1HB LEU 34 HB2 LEU 34 97.314 7.687 -11.315 116 2HB LEU 34 HB1 LEU 34 97.189 8.118 -13.017 117 HG LEU 34 HG LEU 34 95.848 9.675 -10.860 118 1HD1 LEU 34 1HD1 LEU 34 98.497 9.454 -10.835 119 2HD1 LEU 34 2HD1 LEU 34 97.692 10.993 -10.497 120 3HD1 LEU 34 3HD1 LEU 34 98.362 10.677 -12.104 121 1HD2 LEU 34 1HD2 LEU 34 96.620 11.216 -13.128 122 2HD2 LEU 34 2HD2 LEU 34 95.000 10.851 -12.535 123 3HD2 LEU 34 3HD2 LEU 34 95.780 9.768 -13.685 124 H TYR 35 HN TYR 35 94.472 5.532 -10.767 125 HA TYR 35 HA TYR 35 95.791 3.527 -12.504 126 1HB TYR 35 HB2 TYR 35 95.046 3.198 -9.609 127 2HB TYR 35 HB1 TYR 35 95.915 2.038 -10.587 128 HD1 TYR 35 HD1 TYR 35 96.323 5.695 -9.963 129 HD2 TYR 35 HD2 TYR 35 98.099 1.846 -9.820 130 HE1 TYR 35 HE1 TYR 35 98.434 6.704 -9.221 131 HE2 TYR 35 HE2 TYR 35 100.219 2.843 -9.095 132 HH TYR 35 HH TYR 35 100.516 5.818 -7.846 133 HA PRO 36 HA PRO 36 91.772 1.918 -13.330 134 1HB PRO 36 HB2 PRO 36 92.180 -0.758 -13.497 135 2HB PRO 36 HB1 PRO 36 92.744 0.369 -14.737 136 1HG PRO 36 HG2 PRO 36 94.266 -0.922 -12.510 137 2HG PRO 36 HG1 PRO 36 94.760 -0.642 -14.189 138 1HD PRO 36 HD2 PRO 36 95.552 0.938 -12.112 139 2HD PRO 36 HD1 PRO 36 95.382 1.530 -13.776 140 H HIS 37 HN HIS 37 92.097 2.550 -10.619 141 HA HIS 37 HA HIS 37 90.756 2.234 -8.782 142 1HB HIS 37 HB2 HIS 37 90.407 -0.693 -9.315 143 2HB HIS 37 HB1 HIS 37 89.372 0.403 -8.417 144 HD2 HIS 37 HD2 HIS 37 88.694 2.590 -10.689 145 HE1 HIS 37 HE1 HIS 37 87.496 -0.758 -12.983 146 HE2 HIS 37 HE2 HIS 37 87.463 1.771 -12.818 147 H HIS 38 HN HIS 38 90.920 0.522 -6.876 148 HA HIS 38 HA HIS 38 93.729 -0.319 -6.737 149 1HB HIS 38 HB2 HIS 38 93.805 0.437 -4.372 150 2HB HIS 38 HB1 HIS 38 93.634 1.749 -5.527 151 HD1 HIS 38 HD1 HIS 38 91.407 3.094 -5.470 152 HD2 HIS 38 HD2 HIS 38 91.687 0.057 -2.653 153 HE1 HIS 38 HE1 HIS 38 89.498 3.469 -3.819 154 H ARG 39 HN ARG 39 90.638 -0.551 -4.971 155 HA ARG 39 HA ARG 39 89.813 -2.246 -3.674 156 1HB ARG 39 HB2 ARG 39 90.701 -3.741 -6.144 157 2HB ARG 39 HB1 ARG 39 89.613 -4.394 -4.926 158 1HG ARG 39 HG2 ARG 39 88.050 -2.520 -5.394 159 2HG ARG 39 HG1 ARG 39 89.118 -2.016 -6.707 160 1HD ARG 39 HD2 ARG 39 88.822 -4.251 -7.737 161 2HD ARG 39 HD1 ARG 39 87.663 -4.650 -6.467 162 HE ARG 39 HE ARG 39 87.183 -3.071 -8.791 163 1HH1 ARG 39 1HH1 ARG 39 86.273 -3.460 -5.445 164 2HH1 ARG 39 2HH1 ARG 39 84.704 -2.764 -5.660 165 1HH2 ARG 39 1HH2 ARG 39 85.121 -2.149 -9.076 166 2HH2 ARG 39 2HH2 ARG 39 84.050 -2.013 -7.722 167 H SER 40 HN SER 40 92.622 -1.604 -3.206 168 HA SER 40 HA SER 40 93.332 -4.001 -1.757 169 1HB SER 40 HB2 SER 40 94.345 -4.507 -3.871 170 2HB SER 40 HB1 SER 40 95.109 -2.918 -3.936 171 HG SER 40 HG SER 40 96.241 -4.999 -3.052 172 H LEU 41 HN LEU 41 93.183 -0.693 -1.850 173 HA LEU 41 HA LEU 41 93.711 0.805 -0.227 174 1HB LEU 41 HB2 LEU 41 95.710 -1.074 0.976 175 2HB LEU 41 HB1 LEU 41 94.825 0.231 1.742 176 HG LEU 41 HG LEU 41 93.096 -1.886 0.689 177 1HD1 LEU 41 1HD1 LEU 41 95.265 -2.521 2.642 178 2HD1 LEU 41 2HD1 LEU 41 94.646 -3.482 1.298 179 3HD1 LEU 41 3HD1 LEU 41 93.693 -3.311 2.771 180 1HD2 LEU 41 1HD2 LEU 41 92.921 -1.427 3.512 181 2HD2 LEU 41 2HD2 LEU 41 91.763 -1.035 2.244 182 3HD2 LEU 41 3HD2 LEU 41 93.033 0.113 2.661 183 H SER 42 HN SER 42 96.330 -1.006 -1.767 184 HA SER 42 HA SER 42 98.522 0.530 -1.425 185 1HB SER 42 HB2 SER 42 99.185 -0.011 -3.755 186 2HB SER 42 HB1 SER 42 98.533 -1.410 -2.903 187 HG SER 42 HG SER 42 97.040 -1.524 -4.363 188 H GLY 43 HN GLY 43 95.724 1.334 -3.377 189 1HA GLY 43 HA2 GLY 43 96.849 3.988 -3.893 190 2HA GLY 43 HA1 GLY 43 95.611 3.221 -4.863 191 H CYS 44 HN CYS 44 93.531 3.141 -4.159 192 HA CYS 44 HA CYS 44 91.632 3.934 -3.155 193 1HB CYS 44 HB2 CYS 44 92.830 2.729 -1.206 194 2HB CYS 44 HB1 CYS 44 93.188 4.352 -0.628 195 HA PRO 45 HA PRO 45 92.515 8.364 -3.451 196 1HB PRO 45 HB2 PRO 45 90.346 9.059 -4.830 197 2HB PRO 45 HB1 PRO 45 91.646 8.137 -5.589 198 1HG PRO 45 HG2 PRO 45 88.971 7.227 -4.656 199 2HG PRO 45 HG1 PRO 45 89.937 6.655 -6.023 200 1HD PRO 45 HD2 PRO 45 89.734 5.453 -3.472 201 2HD PRO 45 HD1 PRO 45 90.885 5.034 -4.755 202 H HIS 46 HN HIS 46 90.957 7.074 -1.105 203 HA HIS 46 HA HIS 46 89.209 9.385 -0.591 204 1HB HIS 46 HB2 HIS 46 88.979 6.762 0.827 205 2HB HIS 46 HB1 HIS 46 87.764 8.011 0.591 206 HD2 HIS 46 HD2 HIS 46 88.606 4.665 -0.733 207 HE1 HIS 46 HE1 HIS 46 86.447 6.571 -3.812 208 HE2 HIS 46 HE2 HIS 46 87.242 4.346 -2.907 209 H LYS 47 HN LYS 47 90.694 6.966 1.609 210 HA LYS 47 HA LYS 47 91.796 7.193 3.565 211 1HB LYS 47 HB2 LYS 47 93.670 8.757 3.626 212 2HB LYS 47 HB1 LYS 47 93.605 7.900 2.099 213 1HG LYS 47 HG2 LYS 47 92.865 9.799 0.941 214 2HG LYS 47 HG1 LYS 47 92.464 10.653 2.431 215 1HD LYS 47 HD2 LYS 47 94.470 11.619 2.234 216 2HD LYS 47 HD1 LYS 47 95.141 10.065 2.738 217 1HE LYS 47 HE2 LYS 47 94.710 9.700 0.049 218 2HE LYS 47 HE1 LYS 47 95.208 11.388 0.135 219 1HZ LYS 47 HZ1 LYS 47 97.039 9.714 -0.145 220 2HZ LYS 47 HZ2 LYS 47 96.731 9.210 1.441 221 3HZ LYS 47 HZ3 LYS 47 97.235 10.796 1.140 222 H ASP 48 HN ASP 48 89.506 7.773 4.304 223 HA ASP 48 HA ASP 48 89.763 10.299 5.806 224 1HB ASP 48 HB2 ASP 48 88.155 10.426 3.777 225 2HB ASP 48 HB1 ASP 48 87.081 9.453 4.773 226 H ARG 49 HN ARG 49 89.278 7.013 5.873 227 HA ARG 49 HA ARG 49 88.522 5.517 7.408 228 1HB ARG 49 HB2 ARG 49 89.467 5.740 9.495 229 2HB ARG 49 HB1 ARG 49 90.450 6.819 8.523 230 1HG ARG 49 HG2 ARG 49 90.049 8.435 9.975 231 2HG ARG 49 HG1 ARG 49 88.340 8.374 9.556 232 1HD ARG 49 HD2 ARG 49 88.033 6.579 11.227 233 2HD ARG 49 HD1 ARG 49 89.727 6.750 11.681 234 HE ARG 49 HE ARG 49 87.555 8.447 12.450 235 1HH1 ARG 49 1HH1 ARG 49 90.993 8.343 11.854 236 2HH1 ARG 49 2HH1 ARG 49 91.342 9.679 12.900 237 1HH2 ARG 49 1HH2 ARG 49 88.011 10.202 13.830 238 2HH2 ARG 49 2HH2 ARG 49 89.648 10.731 14.028 239 H VAL 50 HN VAL 50 86.750 4.801 8.317 240 HA VAL 50 HA VAL 50 84.816 4.743 9.536 241 HB VAL 50 HB VAL 50 84.550 7.743 9.277 242 1HG1 VAL 50 1HG1 VAL 50 82.635 7.607 10.470 243 2HG1 VAL 50 2HG1 VAL 50 83.166 6.179 11.358 244 3HG1 VAL 50 3HG1 VAL 50 82.560 6.017 9.711 245 1HG2 VAL 50 1HG2 VAL 50 86.073 6.055 11.114 246 2HG2 VAL 50 2HG2 VAL 50 84.984 7.189 11.912 247 3HG2 VAL 50 3HG2 VAL 50 86.206 7.784 10.788 248 HA PRO 51 HA PRO 51 81.971 5.984 5.990 249 1HB PRO 51 HB2 PRO 51 83.054 8.068 4.329 250 2HB PRO 51 HB1 PRO 51 81.619 8.126 5.348 251 1HG PRO 51 HG2 PRO 51 83.923 9.564 5.798 252 2HG PRO 51 HG1 PRO 51 82.721 9.164 7.036 253 1HD PRO 51 HD2 PRO 51 85.359 7.891 6.474 254 2HD PRO 51 HD1 PRO 51 84.542 8.180 8.013 255 HA PRO 52 HA PRO 52 83.723 3.939 2.467 256 1HB PRO 52 HB2 PRO 52 83.033 5.997 0.462 257 2HB PRO 52 HB1 PRO 52 82.498 4.320 0.567 258 1HG PRO 52 HG2 PRO 52 80.834 6.326 1.125 259 2HG PRO 52 HG1 PRO 52 80.796 4.818 2.060 260 1HD PRO 52 HD2 PRO 52 82.038 7.455 2.767 261 2HD PRO 52 HD1 PRO 52 81.076 6.358 3.783 262 H GLU 53 HN GLU 53 85.976 4.056 2.834 263 HA GLU 53 HA GLU 53 87.396 5.704 1.005 264 1HB GLU 53 HB2 GLU 53 87.696 6.106 3.965 265 2HB GLU 53 HB1 GLU 53 88.879 6.671 2.794 266 1HG GLU 53 HG2 GLU 53 87.678 8.568 2.952 267 2HG GLU 53 HG1 GLU 53 86.683 7.768 1.745 268 H ILE 54 HN ILE 54 89.138 4.812 3.774 269 HA ILE 54 HA ILE 54 90.113 2.326 2.537 270 HB ILE 54 HB ILE 54 92.191 3.730 4.028 271 1HG1 ILE 54 2HG1 ILE 54 91.145 5.005 1.500 272 2HG1 ILE 54 1HG1 ILE 54 91.239 5.725 3.090 273 1HG2 ILE 54 1HG2 ILE 54 92.056 1.722 2.207 274 2HG2 ILE 54 2HG2 ILE 54 93.527 2.568 2.679 275 3HG2 ILE 54 3HG2 ILE 54 92.658 3.054 1.227 276 1HD1 ILE 54 1HD1 ILE 54 93.757 4.746 1.881 277 2HD1 ILE 54 2HD1 ILE 54 93.462 6.133 2.926 278 3HD1 ILE 54 3HD1 ILE 54 93.031 6.210 1.220 279 H LEU 55 HN LEU 55 88.459 3.439 4.976 280 HA LEU 55 HA LEU 55 89.651 2.889 7.359 281 1HB LEU 55 HB2 LEU 55 87.344 3.650 7.162 282 2HB LEU 55 HB1 LEU 55 86.868 2.078 6.555 283 HG LEU 55 HG LEU 55 87.740 1.161 8.805 284 1HD1 LEU 55 1HD1 LEU 55 87.044 3.712 10.066 285 2HD1 LEU 55 2HD1 LEU 55 88.572 3.725 9.185 286 3HD1 LEU 55 3HD1 LEU 55 88.307 2.548 10.469 287 1HD2 LEU 55 1HD2 LEU 55 85.567 1.822 9.920 288 2HD2 LEU 55 2HD2 LEU 55 85.433 1.059 8.335 289 3HD2 LEU 55 3HD2 LEU 55 85.244 2.806 8.491 290 H ALA 56 HN ALA 56 88.852 0.625 4.916 291 HA ALA 56 HA ALA 56 88.718 -1.761 6.288 292 1HB ALA 56 HB1 ALA 56 90.206 -2.062 3.828 293 2HB ALA 56 HB2 ALA 56 88.816 -0.997 3.625 294 3HB ALA 56 HB3 ALA 56 88.590 -2.631 4.246 295 H MET 57 HN MET 57 91.598 -0.123 5.013 296 HA MET 57 HA MET 57 93.531 -1.986 5.669 297 1HB MET 57 HB2 MET 57 93.476 0.744 4.872 298 2HB MET 57 HB1 MET 57 94.602 0.603 6.215 299 1HG MET 57 HG2 MET 57 95.242 -1.551 4.626 300 2HG MET 57 HG1 MET 57 94.857 -0.286 3.466 301 1HE MET 57 HE1 MET 57 98.594 -1.231 4.315 302 2HE MET 57 HE2 MET 57 97.173 -2.087 4.913 303 3HE MET 57 HE3 MET 57 98.188 -1.175 6.030 304 H HIS 58 HN HIS 58 93.731 -2.993 7.562 305 HA HIS 58 HA HIS 58 92.978 -1.893 10.053 306 1HB HIS 58 HB2 HIS 58 94.174 -3.886 11.009 307 2HB HIS 58 HB1 HIS 58 92.950 -4.269 9.804 308 HD2 HIS 58 HD2 HIS 58 96.590 -4.957 10.553 309 HE1 HIS 58 HE1 HIS 58 95.917 -6.072 6.526 310 HE2 HIS 58 HE2 HIS 58 97.589 -6.070 8.433 311 H GLU 59 HN GLU 59 94.087 -0.880 11.625 312 HA GLU 59 HA GLU 59 95.695 0.366 12.636 313 1HB GLU 59 HB2 GLU 59 96.718 -1.997 12.637 314 2HB GLU 59 HB1 GLU 59 97.754 -1.401 11.347 315 1HG GLU 59 HG2 GLU 59 97.806 0.495 13.454 316 2HG GLU 59 HG1 GLU 59 98.061 -1.107 14.147 317 H ASN 60 HN ASN 60 94.925 1.002 9.810 318 HA ASN 60 HA ASN 60 96.943 3.011 9.385 319 1HB ASN 60 HB2 ASN 60 96.658 0.647 7.578 320 2HB ASN 60 HB1 ASN 60 97.019 2.213 6.862 321 1HD2 ASN 60 1HD2 ASN 60 98.153 -0.297 8.998 322 2HD2 ASN 60 2HD2 ASN 60 99.821 0.186 9.000 323 H VAL 61 HN VAL 61 94.393 3.416 10.114 324 HA VAL 61 HA VAL 61 92.479 3.643 8.088 325 HB VAL 61 HB VAL 61 91.335 5.240 9.566 326 1HG1 VAL 61 1HG1 VAL 61 91.418 3.671 11.658 327 2HG1 VAL 61 2HG1 VAL 61 92.406 2.662 10.604 328 3HG1 VAL 61 3HG1 VAL 61 90.763 3.087 10.129 329 1HG2 VAL 61 1HG2 VAL 61 94.011 5.368 10.796 330 2HG2 VAL 61 2HG2 VAL 61 92.646 5.337 11.913 331 3HG2 VAL 61 3HG2 VAL 61 92.752 6.598 10.684 332 H LEU 62 HN LEU 62 91.629 5.514 7.055 333 HA LEU 62 HA LEU 62 91.930 7.155 5.509 334 1HB LEU 62 HB2 LEU 62 92.083 9.261 6.459 335 2HB LEU 62 HB1 LEU 62 91.522 8.260 7.781 336 HG LEU 62 HG LEU 62 94.319 8.238 7.992 337 1HD1 LEU 62 1HD1 LEU 62 93.721 10.430 6.458 338 2HD1 LEU 62 2HD1 LEU 62 95.160 10.232 7.458 339 3HD1 LEU 62 3HD1 LEU 62 93.759 11.095 8.091 340 1HD2 LEU 62 1HD2 LEU 62 92.030 8.894 9.549 341 2HD2 LEU 62 2HD2 LEU 62 93.230 10.167 9.763 342 3HD2 LEU 62 3HD2 LEU 62 93.658 8.489 10.096 343 H LYS 63 HN LYS 63 94.030 5.325 5.302 344 HA LYS 63 HA LYS 63 95.854 6.771 3.749 345 1HB LYS 63 HB2 LYS 63 96.523 7.335 6.223 346 2HB LYS 63 HB1 LYS 63 97.264 5.741 6.180 347 1HG LYS 63 HG2 LYS 63 98.884 7.466 5.653 348 2HG LYS 63 HG1 LYS 63 98.616 6.415 4.261 349 1HD LYS 63 HD2 LYS 63 97.227 8.056 3.207 350 2HD LYS 63 HD1 LYS 63 97.236 9.066 4.653 351 1HE LYS 63 HE2 LYS 63 99.844 8.364 3.410 352 2HE LYS 63 HE1 LYS 63 98.829 9.555 2.597 353 1HZ LYS 63 HZ1 LYS 63 99.198 11.075 4.186 354 2HZ LYS 63 HZ2 LYS 63 100.566 10.145 4.536 355 3HZ LYS 63 HZ3 LYS 63 99.155 9.949 5.449 Start of MODEL 14 1 H ARG 16 HN ARG 16 95.749 -13.418 -5.732 2 HA ARG 16 HA ARG 16 93.845 -11.248 -5.222 3 1HB ARG 16 HB2 ARG 16 93.520 -14.016 -6.375 4 2HB ARG 16 HB1 ARG 16 92.149 -13.008 -5.933 5 1HG ARG 16 HG2 ARG 16 92.256 -12.327 -8.059 6 2HG ARG 16 HG1 ARG 16 93.565 -11.294 -7.481 7 1HD ARG 16 HD2 ARG 16 95.209 -12.668 -8.348 8 2HD ARG 16 HD1 ARG 16 94.160 -14.084 -8.365 9 HE ARG 16 HE ARG 16 93.409 -13.471 -10.443 10 1HH1 ARG 16 1HH1 ARG 16 95.136 -10.794 -9.017 11 2HH1 ARG 16 2HH1 ARG 16 95.137 -9.856 -10.472 12 1HH2 ARG 16 1HH2 ARG 16 93.409 -12.240 -12.358 13 2HH2 ARG 16 2HH2 ARG 16 94.156 -10.676 -12.369 14 H GLU 17 HN GLU 17 94.159 -11.091 -2.970 15 HA GLU 17 HA GLU 17 92.542 -12.898 -1.443 16 1HB GLU 17 HB2 GLU 17 95.361 -13.375 -1.581 17 2HB GLU 17 HB1 GLU 17 94.958 -12.862 0.050 18 1HG GLU 17 HG2 GLU 17 93.071 -14.808 -0.962 19 2HG GLU 17 HG1 GLU 17 94.728 -15.411 -0.996 20 H SER 18 HN SER 18 92.396 -10.157 -2.019 21 HA SER 18 HA SER 18 91.907 -9.071 0.512 22 1HB SER 18 HB2 SER 18 94.534 -9.055 0.296 23 2HB SER 18 HB1 SER 18 94.238 -7.632 -0.701 24 HG SER 18 HG SER 18 94.208 -6.667 1.174 25 H LYS 19 HN LYS 19 91.020 -6.929 0.413 26 HA LYS 19 HA LYS 19 90.942 -5.446 -1.991 27 1HB LYS 19 HB2 LYS 19 88.365 -5.742 -2.201 28 2HB LYS 19 HB1 LYS 19 89.457 -6.865 -2.991 29 1HG LYS 19 HG2 LYS 19 87.545 -7.958 -1.859 30 2HG LYS 19 HG1 LYS 19 89.116 -8.504 -1.272 31 1HD LYS 19 HD2 LYS 19 88.915 -7.244 0.722 32 2HD LYS 19 HD1 LYS 19 87.552 -6.322 0.086 33 1HE LYS 19 HE2 LYS 19 87.141 -9.226 0.146 34 2HE LYS 19 HE1 LYS 19 87.342 -8.482 1.732 35 1HZ LYS 19 HZ1 LYS 19 85.631 -6.799 0.492 36 2HZ LYS 19 HZ2 LYS 19 85.178 -8.030 1.558 37 3HZ LYS 19 HZ3 LYS 19 85.142 -8.303 -0.112 38 H CYS 20 HN CYS 20 90.014 -3.441 -1.776 39 HA CYS 20 HA CYS 20 89.560 -2.594 0.954 40 1HB CYS 20 HB2 CYS 20 91.054 -1.287 -0.447 41 2HB CYS 20 HB1 CYS 20 89.754 -1.001 -1.598 42 HA PRO 21 HA PRO 21 85.479 -1.229 -1.738 43 1HB PRO 21 HB2 PRO 21 85.072 -4.172 -2.128 44 2HB PRO 21 HB1 PRO 21 84.432 -2.821 -3.073 45 1HG PRO 21 HG2 PRO 21 86.561 -4.194 -3.918 46 2HG PRO 21 HG1 PRO 21 86.448 -2.439 -4.145 47 1HD PRO 21 HD2 PRO 21 88.166 -3.989 -2.317 48 2HD PRO 21 HD1 PRO 21 88.394 -2.354 -2.955 49 H THR 22 HN THR 22 85.512 -0.814 0.665 50 HA THR 22 HA THR 22 84.233 -2.814 2.318 51 HB THR 22 HB THR 22 84.271 -0.429 3.738 52 HG1 THR 22 HG1 THR 22 86.671 -0.571 2.252 53 1HG2 THR 22 1HG2 THR 22 85.195 -1.975 5.050 54 2HG2 THR 22 2HG2 THR 22 86.719 -1.467 4.322 55 3HG2 THR 22 3HG2 THR 22 85.862 -2.871 3.687 56 HA PRO 23 HA PRO 23 80.001 -1.608 2.189 57 1HB PRO 23 HB2 PRO 23 79.536 -0.513 4.721 58 2HB PRO 23 HB1 PRO 23 79.390 -2.218 4.285 59 1HG PRO 23 HG2 PRO 23 81.644 -0.783 5.609 60 2HG PRO 23 HG1 PRO 23 81.034 -2.424 5.891 61 1HD PRO 23 HD2 PRO 23 83.287 -2.004 4.520 62 2HD PRO 23 HD1 PRO 23 82.157 -3.291 4.051 63 H GLY 24 HN GLY 24 82.368 0.747 3.148 64 1HA GLY 24 HA2 GLY 24 80.503 2.916 2.447 65 2HA GLY 24 HA1 GLY 24 81.929 3.104 3.446 66 H CYS 25 HN CYS 25 83.949 2.001 1.966 67 HA CYS 25 HA CYS 25 84.605 3.998 0.163 68 1HB CYS 25 HB2 CYS 25 86.345 2.474 1.031 69 2HB CYS 25 HB1 CYS 25 85.599 1.132 0.146 70 H ASP 26 HN ASP 26 84.797 3.985 -2.191 71 HA ASP 26 HA ASP 26 82.491 2.651 -3.408 72 1HB ASP 26 HB2 ASP 26 82.785 5.144 -3.602 73 2HB ASP 26 HB1 ASP 26 84.217 4.838 -4.579 74 H GLY 27 HN GLY 27 85.970 3.143 -3.857 75 1HA GLY 27 HA2 GLY 27 87.473 1.538 -4.692 76 2HA GLY 27 HA1 GLY 27 86.111 0.612 -5.276 77 H THR 28 HN THR 28 87.225 3.880 -5.791 78 HA THR 28 HA THR 28 87.789 3.404 -8.540 79 HB THR 28 HB THR 28 85.236 4.368 -7.706 80 HG1 THR 28 HG1 THR 28 84.764 3.614 -9.609 81 1HG2 THR 28 1HG2 THR 28 86.749 6.315 -9.425 82 2HG2 THR 28 2HG2 THR 28 86.040 6.625 -7.840 83 3HG2 THR 28 3HG2 THR 28 84.998 6.288 -9.223 84 H GLY 29 HN GLY 29 89.390 4.702 -9.238 85 1HA GLY 29 HA2 GLY 29 90.591 6.704 -9.456 86 2HA GLY 29 HA1 GLY 29 89.784 7.332 -8.028 87 H HIS 30 HN HIS 30 91.187 4.181 -7.860 88 HA HIS 30 HA HIS 30 92.635 3.481 -6.127 89 1HB HIS 30 HB2 HIS 30 93.481 3.665 -8.579 90 2HB HIS 30 HB1 HIS 30 94.622 4.787 -7.916 91 HD2 HIS 30 HD2 HIS 30 93.632 1.001 -7.551 92 HE1 HIS 30 HE1 HIS 30 97.718 1.519 -6.602 93 HE2 HIS 30 HE2 HIS 30 95.900 -0.165 -7.106 94 H VAL 31 HN VAL 31 95.208 4.420 -5.589 95 HA VAL 31 HA VAL 31 94.720 6.212 -3.478 96 HB VAL 31 HB VAL 31 96.606 4.706 -3.382 97 1HG1 VAL 31 1HG1 VAL 31 97.780 4.349 -5.232 98 2HG1 VAL 31 2HG1 VAL 31 98.609 5.870 -4.905 99 3HG1 VAL 31 3HG1 VAL 31 97.204 5.844 -5.969 100 1HG2 VAL 31 1HG2 VAL 31 97.652 6.100 -2.006 101 2HG2 VAL 31 2HG2 VAL 31 96.662 7.402 -2.664 102 3HG2 VAL 31 3HG2 VAL 31 98.250 7.069 -3.353 103 H THR 32 HN THR 32 95.782 6.916 -6.787 104 HA THR 32 HA THR 32 95.532 9.752 -6.072 105 HB THR 32 HB THR 32 97.866 9.477 -6.194 106 HG1 THR 32 HG1 THR 32 98.318 10.863 -7.761 107 1HG2 THR 32 1HG2 THR 32 97.525 7.948 -8.760 108 2HG2 THR 32 2HG2 THR 32 97.954 7.253 -7.197 109 3HG2 THR 32 3HG2 THR 32 99.054 8.378 -7.993 110 H GLY 33 HN GLY 33 93.845 7.658 -7.516 111 1HA GLY 33 HA2 GLY 33 92.368 7.657 -9.267 112 2HA GLY 33 HA1 GLY 33 92.692 9.372 -9.377 113 H LEU 34 HN LEU 34 95.423 7.385 -9.648 114 HA LEU 34 HA LEU 34 95.541 7.982 -12.506 115 1HB LEU 34 HB2 LEU 34 97.741 7.057 -10.680 116 2HB LEU 34 HB1 LEU 34 97.919 7.565 -12.354 117 HG LEU 34 HG LEU 34 96.773 9.354 -10.271 118 1HD1 LEU 34 1HD1 LEU 34 98.828 10.075 -9.569 119 2HD1 LEU 34 2HD1 LEU 34 99.601 9.694 -11.105 120 3HD1 LEU 34 3HD1 LEU 34 99.249 8.408 -9.953 121 1HD2 LEU 34 1HD2 LEU 34 96.773 10.956 -11.844 122 2HD2 LEU 34 2HD2 LEU 34 96.824 9.595 -12.964 123 3HD2 LEU 34 3HD2 LEU 34 98.314 10.431 -12.523 124 H TYR 35 HN TYR 35 94.424 5.631 -10.638 125 HA TYR 35 HA TYR 35 95.366 3.525 -12.485 126 1HB TYR 35 HB2 TYR 35 94.459 3.093 -9.655 127 2HB TYR 35 HB1 TYR 35 95.157 1.895 -10.724 128 HD1 TYR 35 HD1 TYR 35 96.170 5.341 -9.721 129 HD2 TYR 35 HD2 TYR 35 97.233 1.241 -9.915 130 HE1 TYR 35 HE1 TYR 35 98.392 5.888 -8.831 131 HE2 TYR 35 HE2 TYR 35 99.463 1.770 -9.037 132 HH TYR 35 HH TYR 35 100.614 4.989 -8.757 133 HA PRO 36 HA PRO 36 91.132 2.896 -13.518 134 1HB PRO 36 HB2 PRO 36 91.423 -0.008 -13.562 135 2HB PRO 36 HB1 PRO 36 91.214 1.105 -14.915 136 1HG PRO 36 HG2 PRO 36 93.533 -0.224 -14.446 137 2HG PRO 36 HG1 PRO 36 93.472 1.370 -15.219 138 1HD PRO 36 HD2 PRO 36 94.136 0.659 -12.387 139 2HD PRO 36 HD1 PRO 36 94.884 1.870 -13.452 140 H HIS 37 HN HIS 37 91.581 3.163 -10.719 141 HA HIS 37 HA HIS 37 90.123 3.026 -8.938 142 1HB HIS 37 HB2 HIS 37 89.147 0.319 -9.816 143 2HB HIS 37 HB1 HIS 37 88.384 1.469 -8.729 144 HD2 HIS 37 HD2 HIS 37 88.512 4.029 -10.858 145 HE1 HIS 37 HE1 HIS 37 86.039 1.474 -13.151 146 HE2 HIS 37 HE2 HIS 37 86.965 3.825 -12.928 147 H HIS 38 HN HIS 38 89.799 1.067 -7.253 148 HA HIS 38 HA HIS 38 92.273 -0.482 -7.132 149 1HB HIS 38 HB2 HIS 38 92.751 0.208 -4.852 150 2HB HIS 38 HB1 HIS 38 92.710 1.616 -5.906 151 HD1 HIS 38 HD1 HIS 38 90.859 3.331 -5.508 152 HD2 HIS 38 HD2 HIS 38 90.710 0.034 -3.003 153 HE1 HIS 38 HE1 HIS 38 89.080 3.851 -3.754 154 H ARG 39 HN ARG 39 92.075 -2.423 -6.104 155 HA ARG 39 HA ARG 39 89.520 -2.967 -4.769 156 1HB ARG 39 HB2 ARG 39 90.643 -4.255 -7.170 157 2HB ARG 39 HB1 ARG 39 90.070 -5.369 -5.937 158 1HG ARG 39 HG2 ARG 39 87.901 -4.815 -6.240 159 2HG ARG 39 HG1 ARG 39 88.269 -3.134 -6.629 160 1HD ARG 39 HD2 ARG 39 88.967 -3.744 -8.846 161 2HD ARG 39 HD1 ARG 39 88.812 -5.459 -8.467 162 HE ARG 39 HE ARG 39 86.375 -3.968 -8.139 163 1HH1 ARG 39 1HH1 ARG 39 88.377 -5.735 -10.385 164 2HH1 ARG 39 2HH1 ARG 39 87.066 -6.109 -11.454 165 1HH2 ARG 39 1HH2 ARG 39 84.650 -4.460 -9.541 166 2HH2 ARG 39 2HH2 ARG 39 84.949 -5.383 -10.974 167 H SER 40 HN SER 40 92.127 -2.361 -3.645 168 HA SER 40 HA SER 40 92.276 -4.567 -1.845 169 1HB SER 40 HB2 SER 40 94.673 -5.123 -2.292 170 2HB SER 40 HB1 SER 40 93.544 -5.626 -3.550 171 HG SER 40 HG SER 40 94.129 -3.574 -4.600 172 H LEU 41 HN LEU 41 92.389 -1.381 -2.119 173 HA LEU 41 HA LEU 41 92.942 0.184 -0.549 174 1HB LEU 41 HB2 LEU 41 94.798 -1.737 0.814 175 2HB LEU 41 HB1 LEU 41 93.976 -0.345 1.487 176 HG LEU 41 HG LEU 41 92.129 -2.374 0.497 177 1HD1 LEU 41 1HD1 LEU 41 93.411 -3.203 3.024 178 2HD1 LEU 41 2HD1 LEU 41 94.308 -3.536 1.541 179 3HD1 LEU 41 3HD1 LEU 41 92.678 -4.176 1.748 180 1HD2 LEU 41 1HD2 LEU 41 92.522 -0.829 3.035 181 2HD2 LEU 41 2HD2 LEU 41 91.251 -2.033 2.842 182 3HD2 LEU 41 3HD2 LEU 41 91.287 -0.611 1.807 183 H SER 42 HN SER 42 95.452 -1.824 -1.966 184 HA SER 42 HA SER 42 97.757 -0.467 -1.613 185 1HB SER 42 HB2 SER 42 98.246 -0.994 -4.086 186 2HB SER 42 HB1 SER 42 97.847 -2.351 -3.033 187 HG SER 42 HG SER 42 95.755 -2.330 -3.860 188 H GLY 43 HN GLY 43 94.984 0.599 -3.437 189 1HA GLY 43 HA2 GLY 43 96.379 3.079 -4.132 190 2HA GLY 43 HA1 GLY 43 94.981 2.445 -4.969 191 H CYS 44 HN CYS 44 92.983 2.687 -4.159 192 HA CYS 44 HA CYS 44 91.288 3.830 -3.101 193 1HB CYS 44 HB2 CYS 44 92.272 2.273 -1.278 194 2HB CYS 44 HB1 CYS 44 92.906 3.759 -0.581 195 HA PRO 45 HA PRO 45 93.032 8.015 -3.148 196 1HB PRO 45 HB2 PRO 45 90.979 9.230 -4.357 197 2HB PRO 45 HB1 PRO 45 92.092 8.194 -5.253 198 1HG PRO 45 HG2 PRO 45 89.324 7.640 -4.312 199 2HG PRO 45 HG1 PRO 45 90.142 7.085 -5.779 200 1HD PRO 45 HD2 PRO 45 89.786 5.612 -3.420 201 2HD PRO 45 HD1 PRO 45 90.892 5.209 -4.746 202 H HIS 46 HN HIS 46 91.201 6.825 -0.892 203 HA HIS 46 HA HIS 46 90.006 9.386 -0.122 204 1HB HIS 46 HB2 HIS 46 89.255 6.739 1.069 205 2HB HIS 46 HB1 HIS 46 88.324 8.227 0.982 206 HD2 HIS 46 HD2 HIS 46 88.464 4.933 -0.735 207 HE1 HIS 46 HE1 HIS 46 86.788 7.576 -3.545 208 HE2 HIS 46 HE2 HIS 46 87.049 5.158 -2.879 209 H LYS 47 HN LYS 47 90.535 6.822 2.290 210 HA LYS 47 HA LYS 47 91.947 6.706 4.063 211 1HB LYS 47 HB2 LYS 47 93.548 7.854 2.106 212 2HB LYS 47 HB1 LYS 47 93.684 8.970 3.458 213 1HG LYS 47 HG2 LYS 47 93.895 6.349 4.490 214 2HG LYS 47 HG1 LYS 47 94.950 6.458 3.081 215 1HD LYS 47 HD2 LYS 47 94.971 8.628 5.142 216 2HD LYS 47 HD1 LYS 47 95.856 7.129 5.431 217 1HE LYS 47 HE2 LYS 47 97.285 7.485 3.623 218 2HE LYS 47 HE1 LYS 47 96.202 8.657 2.876 219 1HZ LYS 47 HZ1 LYS 47 98.364 9.313 4.299 220 2HZ LYS 47 HZ2 LYS 47 97.179 9.384 5.502 221 3HZ LYS 47 HZ3 LYS 47 97.022 10.325 4.106 222 H ASP 48 HN ASP 48 89.821 7.644 4.897 223 HA ASP 48 HA ASP 48 90.510 10.151 6.278 224 1HB ASP 48 HB2 ASP 48 88.719 10.216 4.276 225 2HB ASP 48 HB1 ASP 48 87.654 9.792 5.612 226 H ARG 49 HN ARG 49 90.067 7.017 6.775 227 HA ARG 49 HA ARG 49 89.460 5.798 8.564 228 1HB ARG 49 HB2 ARG 49 89.436 8.502 9.907 229 2HB ARG 49 HB1 ARG 49 89.333 6.971 10.766 230 1HG ARG 49 HG2 ARG 49 91.551 7.154 10.928 231 2HG ARG 49 HG1 ARG 49 91.562 6.587 9.257 232 1HD ARG 49 HD2 ARG 49 92.857 8.468 9.064 233 2HD ARG 49 HD1 ARG 49 91.266 9.150 8.737 234 HE ARG 49 HE ARG 49 92.065 9.230 11.509 235 1HH1 ARG 49 1HH1 ARG 49 92.080 10.904 8.443 236 2HH1 ARG 49 2HH1 ARG 49 92.288 12.468 9.159 237 1HH2 ARG 49 1HH2 ARG 49 92.340 11.286 12.447 238 2HH2 ARG 49 2HH2 ARG 49 92.435 12.685 11.430 239 H VAL 50 HN VAL 50 87.441 6.363 6.824 240 HA VAL 50 HA VAL 50 85.158 5.950 8.534 241 HB VAL 50 HB VAL 50 83.989 7.685 6.731 242 1HG1 VAL 50 1HG1 VAL 50 84.745 7.837 9.609 243 2HG1 VAL 50 2HG1 VAL 50 83.151 7.690 8.868 244 3HG1 VAL 50 3HG1 VAL 50 84.000 9.237 8.835 245 1HG2 VAL 50 1HG2 VAL 50 86.090 9.415 7.876 246 2HG2 VAL 50 2HG2 VAL 50 85.217 9.546 6.349 247 3HG2 VAL 50 3HG2 VAL 50 86.566 8.422 6.499 248 HA PRO 51 HA PRO 51 83.977 2.885 5.676 249 1HB PRO 51 HB2 PRO 51 81.422 4.346 5.259 250 2HB PRO 51 HB1 PRO 51 81.707 2.656 5.658 251 1HG PRO 51 HG2 PRO 51 80.954 4.572 7.481 252 2HG PRO 51 HG1 PRO 51 81.776 3.060 7.888 253 1HD PRO 51 HD2 PRO 51 82.782 5.776 8.036 254 2HD PRO 51 HD1 PRO 51 83.537 4.278 8.612 255 HA PRO 52 HA PRO 52 83.106 5.376 1.663 256 1HB PRO 52 HB2 PRO 52 83.035 8.212 2.403 257 2HB PRO 52 HB1 PRO 52 81.873 7.271 1.466 258 1HG PRO 52 HG2 PRO 52 81.322 8.161 3.946 259 2HG PRO 52 HG1 PRO 52 80.691 6.621 3.336 260 1HD PRO 52 HD2 PRO 52 83.022 7.131 5.152 261 2HD PRO 52 HD1 PRO 52 81.755 5.898 5.271 262 H GLU 53 HN GLU 53 85.493 4.654 2.419 263 HA GLU 53 HA GLU 53 87.257 6.425 1.125 264 1HB GLU 53 HB2 GLU 53 87.338 6.224 4.112 265 2HB GLU 53 HB1 GLU 53 88.813 6.516 3.206 266 1HG GLU 53 HG2 GLU 53 88.303 8.670 3.440 267 2HG GLU 53 HG1 GLU 53 87.149 8.388 2.144 268 H ILE 54 HN ILE 54 88.632 4.642 3.666 269 HA ILE 54 HA ILE 54 89.311 2.473 1.792 270 HB ILE 54 HB ILE 54 91.103 2.929 4.108 271 1HG1 ILE 54 2HG1 ILE 54 90.897 4.861 1.795 272 2HG1 ILE 54 1HG1 ILE 54 90.916 5.218 3.514 273 1HG2 ILE 54 1HG2 ILE 54 92.043 1.305 2.875 274 2HG2 ILE 54 2HG2 ILE 54 92.650 2.631 1.886 275 3HG2 ILE 54 3HG2 ILE 54 91.188 1.782 1.415 276 1HD1 ILE 54 1HD1 ILE 54 93.260 4.065 2.036 277 2HD1 ILE 54 2HD1 ILE 54 93.233 4.732 3.668 278 3HD1 ILE 54 3HD1 ILE 54 93.000 5.788 2.276 279 H LEU 55 HN LEU 55 88.364 3.445 4.976 280 HA LEU 55 HA LEU 55 87.917 2.238 6.906 281 1HB LEU 55 HB2 LEU 55 85.857 2.484 5.479 282 2HB LEU 55 HB1 LEU 55 86.113 0.834 4.946 283 HG LEU 55 HG LEU 55 86.043 0.262 7.486 284 1HD1 LEU 55 1HD1 LEU 55 84.232 2.602 7.686 285 2HD1 LEU 55 2HD1 LEU 55 85.963 2.874 7.885 286 3HD1 LEU 55 3HD1 LEU 55 85.120 1.744 8.946 287 1HD2 LEU 55 1HD2 LEU 55 83.386 0.555 7.226 288 2HD2 LEU 55 2HD2 LEU 55 84.309 -0.707 6.411 289 3HD2 LEU 55 3HD2 LEU 55 83.878 0.770 5.547 290 H ALA 56 HN ALA 56 90.170 1.039 5.541 291 HA ALA 56 HA ALA 56 90.500 -1.253 7.018 292 1HB ALA 56 HB1 ALA 56 88.870 -1.737 4.679 293 2HB ALA 56 HB2 ALA 56 89.200 -2.782 6.063 294 3HB ALA 56 HB3 ALA 56 90.314 -2.749 4.698 295 H MET 57 HN MET 57 91.964 1.012 5.820 296 HA MET 57 HA MET 57 93.875 -0.222 4.025 297 1HB MET 57 HB2 MET 57 93.075 2.379 4.444 298 2HB MET 57 HB1 MET 57 94.661 2.336 5.205 299 1HG MET 57 HG2 MET 57 94.128 1.389 2.398 300 2HG MET 57 HG1 MET 57 94.655 3.022 2.805 301 1HE MET 57 HE1 MET 57 97.679 3.376 2.617 302 2HE MET 57 HE2 MET 57 96.379 3.134 1.451 303 3HE MET 57 HE3 MET 57 97.839 2.149 1.362 304 H HIS 58 HN HIS 58 95.643 -1.289 4.606 305 HA HIS 58 HA HIS 58 97.267 -2.227 5.901 306 1HB HIS 58 HB2 HIS 58 97.139 0.504 7.201 307 2HB HIS 58 HB1 HIS 58 98.384 -0.689 7.547 308 HD2 HIS 58 HD2 HIS 58 99.571 1.937 6.376 309 HE1 HIS 58 HE1 HIS 58 99.495 0.011 2.609 310 HE2 HIS 58 HE2 HIS 58 100.326 2.030 3.897 311 H GLU 59 HN GLU 59 97.828 -2.005 8.650 312 HA GLU 59 HA GLU 59 95.498 -3.388 9.730 313 1HB GLU 59 HB2 GLU 59 98.345 -3.143 10.710 314 2HB GLU 59 HB1 GLU 59 97.081 -3.983 11.597 315 1HG GLU 59 HG2 GLU 59 97.743 -4.719 8.773 316 2HG GLU 59 HG1 GLU 59 98.670 -5.355 10.130 317 H ASN 60 HN ASN 60 95.110 -0.655 9.446 318 HA ASN 60 HA ASN 60 94.638 0.087 12.203 319 1HB ASN 60 HB2 ASN 60 96.916 1.063 10.973 320 2HB ASN 60 HB1 ASN 60 95.752 2.366 10.754 321 1HD2 ASN 60 1HD2 ASN 60 96.457 0.039 13.342 322 2HD2 ASN 60 2HD2 ASN 60 96.596 1.227 14.601 323 H VAL 61 HN VAL 61 92.701 -0.652 10.523 324 HA VAL 61 HA VAL 61 91.492 1.026 8.757 325 HB VAL 61 HB VAL 61 89.374 0.074 9.353 326 1HG1 VAL 61 1HG1 VAL 61 91.555 -1.428 8.731 327 2HG1 VAL 61 2HG1 VAL 61 89.900 -2.034 8.787 328 3HG1 VAL 61 3HG1 VAL 61 90.965 -2.247 10.176 329 1HG2 VAL 61 1HG2 VAL 61 89.641 -1.469 11.596 330 2HG2 VAL 61 2HG2 VAL 61 88.863 0.111 11.542 331 3HG2 VAL 61 3HG2 VAL 61 90.550 -0.022 12.033 332 H LEU 62 HN LEU 62 90.516 3.045 8.781 333 HA LEU 62 HA LEU 62 90.126 5.125 9.610 334 1HB LEU 62 HB2 LEU 62 88.721 3.648 11.830 335 2HB LEU 62 HB1 LEU 62 88.358 5.254 11.230 336 HG LEU 62 HG LEU 62 87.846 4.009 8.988 337 1HD1 LEU 62 1HD1 LEU 62 88.108 1.802 9.068 338 2HD1 LEU 62 2HD1 LEU 62 86.703 1.753 10.135 339 3HD1 LEU 62 3HD1 LEU 62 88.326 1.823 10.819 340 1HD2 LEU 62 1HD2 LEU 62 85.768 3.419 11.006 341 2HD2 LEU 62 2HD2 LEU 62 85.653 4.298 9.482 342 3HD2 LEU 62 3HD2 LEU 62 86.319 5.091 10.910 343 H LYS 63 HN LYS 63 92.611 4.007 10.481 344 HA LYS 63 HA LYS 63 94.290 4.304 11.993 345 1HB LYS 63 HB2 LYS 63 93.495 6.700 11.306 346 2HB LYS 63 HB1 LYS 63 92.899 6.775 12.959 347 1HG LYS 63 HG2 LYS 63 94.922 7.271 13.701 348 2HG LYS 63 HG1 LYS 63 95.575 5.795 12.991 349 1HD LYS 63 HD2 LYS 63 96.539 6.917 11.317 350 2HD LYS 63 HD1 LYS 63 95.071 7.842 10.992 351 1HE LYS 63 HE2 LYS 63 95.698 9.198 13.075 352 2HE LYS 63 HE1 LYS 63 97.287 8.449 12.925 353 1HZ LYS 63 HZ1 LYS 63 96.349 9.533 10.446 354 2HZ LYS 63 HZ2 LYS 63 97.815 9.792 11.250 355 3HZ LYS 63 HZ3 LYS 63 96.455 10.711 11.655 Start of MODEL 15 1 H ARG 16 HN ARG 16 97.031 -10.824 -2.806 2 HA ARG 16 HA ARG 16 97.687 -11.488 -0.735 3 1HB ARG 16 HB2 ARG 16 99.911 -10.725 -1.749 4 2HB ARG 16 HB1 ARG 16 99.717 -9.263 -0.791 5 1HG ARG 16 HG2 ARG 16 100.929 -10.441 0.697 6 2HG ARG 16 HG1 ARG 16 99.345 -11.088 1.129 7 1HD ARG 16 HD2 ARG 16 99.720 -13.091 0.028 8 2HD ARG 16 HD1 ARG 16 100.961 -12.399 -1.016 9 HE ARG 16 HE ARG 16 102.529 -12.823 0.606 10 1HH1 ARG 16 1HH1 ARG 16 99.337 -13.221 1.963 11 2HH1 ARG 16 2HH1 ARG 16 99.916 -13.922 3.437 12 1HH2 ARG 16 1HH2 ARG 16 103.290 -13.743 2.545 13 2HH2 ARG 16 2HH2 ARG 16 102.159 -14.216 3.768 14 H GLU 17 HN GLU 17 95.474 -10.077 -0.582 15 HA GLU 17 HA GLU 17 95.581 -8.913 2.014 16 1HB GLU 17 HB2 GLU 17 95.949 -7.150 -0.196 17 2HB GLU 17 HB1 GLU 17 94.359 -6.833 0.486 18 1HG GLU 17 HG2 GLU 17 95.283 -5.661 2.110 19 2HG GLU 17 HG1 GLU 17 96.179 -7.085 2.639 20 H SER 18 HN SER 18 93.229 -7.514 2.081 21 HA SER 18 HA SER 18 91.268 -9.559 1.266 22 1HB SER 18 HB2 SER 18 91.796 -8.503 3.802 23 2HB SER 18 HB1 SER 18 90.300 -7.720 3.293 24 HG SER 18 HG SER 18 89.642 -9.967 2.710 25 H LYS 19 HN LYS 19 92.350 -6.880 0.033 26 HA LYS 19 HA LYS 19 91.551 -5.389 -1.436 27 1HB LYS 19 HB2 LYS 19 88.807 -6.534 -0.969 28 2HB LYS 19 HB1 LYS 19 89.346 -5.568 -2.335 29 1HG LYS 19 HG2 LYS 19 90.783 -8.106 -1.832 30 2HG LYS 19 HG1 LYS 19 89.129 -8.219 -2.429 31 1HD LYS 19 HD2 LYS 19 91.090 -6.390 -3.757 32 2HD LYS 19 HD1 LYS 19 91.101 -8.117 -4.117 33 1HE LYS 19 HE2 LYS 19 88.725 -6.277 -4.393 34 2HE LYS 19 HE1 LYS 19 89.732 -6.861 -5.718 35 1HZ LYS 19 HZ1 LYS 19 89.086 -9.169 -4.816 36 2HZ LYS 19 HZ2 LYS 19 87.959 -8.311 -5.738 37 3HZ LYS 19 HZ3 LYS 19 87.815 -8.353 -4.054 38 H CYS 20 HN CYS 20 89.901 -3.578 -1.602 39 HA CYS 20 HA CYS 20 89.553 -2.376 1.056 40 1HB CYS 20 HB2 CYS 20 91.212 -1.372 -0.504 41 2HB CYS 20 HB1 CYS 20 89.896 -0.997 -1.602 42 HA PRO 21 HA PRO 21 85.380 -2.123 -1.141 43 1HB PRO 21 HB2 PRO 21 84.104 -4.399 -0.731 44 2HB PRO 21 HB1 PRO 21 85.361 -4.310 -1.975 45 1HG PRO 21 HG2 PRO 21 85.526 -5.413 0.808 46 2HG PRO 21 HG1 PRO 21 86.163 -6.093 -0.701 47 1HD PRO 21 HD2 PRO 21 87.645 -4.613 1.120 48 2HD PRO 21 HD1 PRO 21 88.058 -4.845 -0.586 49 H THR 22 HN THR 22 85.323 -0.595 0.798 50 HA THR 22 HA THR 22 83.926 -1.792 3.094 51 HB THR 22 HB THR 22 85.555 -0.412 3.978 52 HG1 THR 22 HG1 THR 22 83.897 1.748 3.877 53 1HG2 THR 22 1HG2 THR 22 86.677 0.773 2.444 54 2HG2 THR 22 2HG2 THR 22 85.636 2.078 3.014 55 3HG2 THR 22 3HG2 THR 22 85.217 1.185 1.555 56 HA PRO 23 HA PRO 23 79.825 -0.594 2.107 57 1HB PRO 23 HB2 PRO 23 79.943 1.068 4.596 58 2HB PRO 23 HB1 PRO 23 78.689 -0.054 4.055 59 1HG PRO 23 HG2 PRO 23 80.434 -0.776 5.932 60 2HG PRO 23 HG1 PRO 23 79.900 -1.927 4.693 61 1HD PRO 23 HD2 PRO 23 82.503 -0.529 4.980 62 2HD PRO 23 HD1 PRO 23 82.140 -2.105 4.250 63 H GLY 24 HN GLY 24 82.198 1.839 2.949 64 1HA GLY 24 HA2 GLY 24 80.629 3.888 1.560 65 2HA GLY 24 HA1 GLY 24 81.986 4.192 2.625 66 H CYS 25 HN CYS 25 84.042 2.671 1.572 67 HA CYS 25 HA CYS 25 84.926 4.222 -0.537 68 1HB CYS 25 HB2 CYS 25 86.484 2.679 0.767 69 2HB CYS 25 HB1 CYS 25 85.798 1.339 -0.179 70 H ASP 26 HN ASP 26 85.095 3.929 -2.775 71 HA ASP 26 HA ASP 26 82.870 2.400 -3.890 72 1HB ASP 26 HB2 ASP 26 83.147 4.828 -4.435 73 2HB ASP 26 HB1 ASP 26 84.649 4.425 -5.260 74 H GLY 27 HN GLY 27 86.357 2.884 -4.369 75 1HA GLY 27 HA2 GLY 27 87.885 1.159 -4.888 76 2HA GLY 27 HA1 GLY 27 86.541 0.160 -5.395 77 H THR 28 HN THR 28 87.303 3.416 -6.302 78 HA THR 28 HA THR 28 88.179 2.665 -8.914 79 HB THR 28 HB THR 28 85.461 3.393 -8.379 80 HG1 THR 28 HG1 THR 28 85.336 2.159 -10.046 81 1HG2 THR 28 1HG2 THR 28 86.854 5.262 -10.277 82 2HG2 THR 28 2HG2 THR 28 86.021 5.698 -8.784 83 3HG2 THR 28 3HG2 THR 28 85.108 5.052 -10.150 84 H GLY 29 HN GLY 29 89.664 4.083 -9.672 85 1HA GLY 29 HA2 GLY 29 90.458 6.299 -10.071 86 2HA GLY 29 HA1 GLY 29 89.679 6.822 -8.586 87 H HIS 30 HN HIS 30 91.137 4.012 -7.759 88 HA HIS 30 HA HIS 30 92.953 3.589 -6.401 89 1HB HIS 30 HB2 HIS 30 93.646 3.903 -8.889 90 2HB HIS 30 HB1 HIS 30 94.552 5.239 -8.284 91 HD2 HIS 30 HD2 HIS 30 94.438 1.328 -7.896 92 HE1 HIS 30 HE1 HIS 30 98.319 2.772 -7.047 93 HE2 HIS 30 HE2 HIS 30 96.854 0.710 -7.195 94 H VAL 31 HN VAL 31 95.215 4.885 -5.839 95 HA VAL 31 HA VAL 31 94.597 6.628 -3.800 96 HB VAL 31 HB VAL 31 96.734 5.408 -4.055 97 1HG1 VAL 31 1HG1 VAL 31 96.899 6.720 -6.477 98 2HG1 VAL 31 2HG1 VAL 31 98.188 5.803 -5.697 99 3HG1 VAL 31 3HG1 VAL 31 98.091 7.549 -5.473 100 1HG2 VAL 31 1HG2 VAL 31 98.146 7.278 -3.118 101 2HG2 VAL 31 2HG2 VAL 31 96.604 7.003 -2.309 102 3HG2 VAL 31 3HG2 VAL 31 96.782 8.352 -3.432 103 H THR 32 HN THR 32 95.190 7.613 -7.182 104 HA THR 32 HA THR 32 94.541 10.317 -6.234 105 HB THR 32 HB THR 32 96.879 10.407 -6.546 106 HG1 THR 32 HG1 THR 32 95.608 12.075 -7.605 107 1HG2 THR 32 1HG2 THR 32 96.489 9.097 -9.224 108 2HG2 THR 32 2HG2 THR 32 97.262 8.385 -7.807 109 3HG2 THR 32 3HG2 THR 32 98.005 9.764 -8.618 110 H GLY 33 HN GLY 33 93.041 8.107 -7.709 111 1HA GLY 33 HA2 GLY 33 91.371 8.117 -9.305 112 2HA GLY 33 HA1 GLY 33 91.606 9.843 -9.392 113 H LEU 34 HN LEU 34 94.428 8.050 -9.934 114 HA LEU 34 HA LEU 34 94.146 8.567 -12.812 115 1HB LEU 34 HB2 LEU 34 96.728 8.330 -11.313 116 2HB LEU 34 HB1 LEU 34 96.486 8.898 -12.959 117 HG LEU 34 HG LEU 34 95.171 10.262 -10.683 118 1HD1 LEU 34 1HD1 LEU 34 97.742 11.362 -11.663 119 2HD1 LEU 34 2HD1 LEU 34 97.831 9.971 -10.583 120 3HD1 LEU 34 3HD1 LEU 34 97.019 11.444 -10.059 121 1HD2 LEU 34 1HD2 LEU 34 95.816 12.179 -12.447 122 2HD2 LEU 34 2HD2 LEU 34 94.319 11.249 -12.522 123 3HD2 LEU 34 3HD2 LEU 34 95.692 10.795 -13.532 124 H TYR 35 HN TYR 35 93.828 6.044 -10.824 125 HA TYR 35 HA TYR 35 95.273 4.271 -12.720 126 1HB TYR 35 HB2 TYR 35 94.595 3.665 -9.863 127 2HB TYR 35 HB1 TYR 35 95.462 2.608 -10.947 128 HD1 TYR 35 HD1 TYR 35 95.772 6.196 -9.984 129 HD2 TYR 35 HD2 TYR 35 97.687 2.431 -10.344 130 HE1 TYR 35 HE1 TYR 35 97.888 7.210 -9.257 131 HE2 TYR 35 HE2 TYR 35 99.811 3.429 -9.629 132 HH TYR 35 HH TYR 35 100.200 5.956 -8.032 133 HA PRO 36 HA PRO 36 91.418 2.408 -13.694 134 1HB PRO 36 HB2 PRO 36 91.976 -0.238 -13.886 135 2HB PRO 36 HB1 PRO 36 92.518 0.939 -15.085 136 1HG PRO 36 HG2 PRO 36 94.034 -0.303 -12.829 137 2HG PRO 36 HG1 PRO 36 94.567 0.034 -14.485 138 1HD PRO 36 HD2 PRO 36 95.202 1.612 -12.360 139 2HD PRO 36 HD1 PRO 36 95.045 2.231 -14.015 140 H HIS 37 HN HIS 37 91.777 2.933 -10.893 141 HA HIS 37 HA HIS 37 90.401 2.563 -9.105 142 1HB HIS 37 HB2 HIS 37 89.941 -0.303 -9.850 143 2HB HIS 37 HB1 HIS 37 88.951 0.763 -8.870 144 HD2 HIS 37 HD2 HIS 37 88.788 3.153 -11.212 145 HE1 HIS 37 HE1 HIS 37 86.764 0.085 -13.307 146 HE2 HIS 37 HE2 HIS 37 87.349 2.552 -13.285 147 H HIS 38 HN HIS 38 90.384 0.682 -7.330 148 HA HIS 38 HA HIS 38 93.102 -0.375 -7.122 149 1HB HIS 38 HB2 HIS 38 93.326 0.395 -4.805 150 2HB HIS 38 HB1 HIS 38 93.189 1.733 -5.936 151 HD1 HIS 38 HD1 HIS 38 91.123 3.254 -5.712 152 HD2 HIS 38 HD2 HIS 38 91.205 0.084 -3.035 153 HE1 HIS 38 HE1 HIS 38 89.322 3.743 -3.973 154 H ARG 39 HN ARG 39 90.001 -0.200 -5.394 155 HA ARG 39 HA ARG 39 88.937 -1.742 -4.083 156 1HB ARG 39 HB2 ARG 39 89.629 -3.589 -6.364 157 2HB ARG 39 HB1 ARG 39 88.227 -3.671 -5.307 158 1HG ARG 39 HG2 ARG 39 87.442 -1.525 -6.243 159 2HG ARG 39 HG1 ARG 39 88.807 -1.550 -7.363 160 1HD ARG 39 HD2 ARG 39 87.710 -4.033 -7.719 161 2HD ARG 39 HD1 ARG 39 86.287 -3.034 -7.430 162 HE ARG 39 HE ARG 39 87.948 -1.750 -9.295 163 1HH1 ARG 39 1HH1 ARG 39 85.872 -4.543 -9.031 164 2HH1 ARG 39 2HH1 ARG 39 85.477 -4.565 -10.716 165 1HH2 ARG 39 1HH2 ARG 39 87.429 -1.777 -11.514 166 2HH2 ARG 39 2HH2 ARG 39 86.361 -2.995 -12.126 167 H SER 40 HN SER 40 91.924 -1.617 -3.677 168 HA SER 40 HA SER 40 92.092 -3.960 -2.042 169 1HB SER 40 HB2 SER 40 94.105 -4.912 -3.094 170 2HB SER 40 HB1 SER 40 92.713 -4.947 -4.177 171 HG SER 40 HG SER 40 93.599 -2.895 -5.015 172 H LEU 41 HN LEU 41 92.540 -0.881 -2.069 173 HA LEU 41 HA LEU 41 93.700 0.512 -0.686 174 1HB LEU 41 HB2 LEU 41 95.478 -1.780 0.100 175 2HB LEU 41 HB1 LEU 41 95.174 -0.296 0.981 176 HG LEU 41 HG LEU 41 92.689 -1.648 0.595 177 1HD1 LEU 41 1HD1 LEU 41 94.700 -3.510 0.622 178 2HD1 LEU 41 2HD1 LEU 41 93.033 -3.797 1.117 179 3HD1 LEU 41 3HD1 LEU 41 94.256 -3.400 2.324 180 1HD2 LEU 41 1HD2 LEU 41 93.889 -0.089 2.482 181 2HD2 LEU 41 2HD2 LEU 41 93.892 -1.670 3.263 182 3HD2 LEU 41 3HD2 LEU 41 92.375 -0.963 2.705 183 H SER 42 HN SER 42 95.556 -1.673 -2.739 184 HA SER 42 HA SER 42 98.037 -0.647 -2.844 185 1HB SER 42 HB2 SER 42 98.100 -1.174 -5.250 186 2HB SER 42 HB1 SER 42 97.265 -2.433 -4.341 187 HG SER 42 HG SER 42 95.387 -1.845 -5.209 188 H GLY 43 HN GLY 43 95.134 0.940 -3.933 189 1HA GLY 43 HA2 GLY 43 96.709 3.341 -4.544 190 2HA GLY 43 HA1 GLY 43 95.274 2.897 -5.435 191 H CYS 44 HN CYS 44 93.289 2.926 -4.429 192 HA CYS 44 HA CYS 44 91.651 4.091 -3.313 193 1HB CYS 44 HB2 CYS 44 92.552 2.320 -1.654 194 2HB CYS 44 HB1 CYS 44 93.278 3.693 -0.821 195 HA PRO 45 HA PRO 45 93.491 8.195 -2.834 196 1HB PRO 45 HB2 PRO 45 91.572 9.579 -4.022 197 2HB PRO 45 HB1 PRO 45 92.598 8.495 -4.965 198 1HG PRO 45 HG2 PRO 45 89.792 8.115 -4.037 199 2HG PRO 45 HG1 PRO 45 90.556 7.589 -5.546 200 1HD PRO 45 HD2 PRO 45 90.135 6.025 -3.230 201 2HD PRO 45 HD1 PRO 45 91.129 5.590 -4.631 202 H HIS 46 HN HIS 46 91.241 6.788 -0.968 203 HA HIS 46 HA HIS 46 90.025 9.208 0.064 204 1HB HIS 46 HB2 HIS 46 89.664 6.384 1.045 205 2HB HIS 46 HB1 HIS 46 88.554 7.737 1.187 206 HD2 HIS 46 HD2 HIS 46 88.652 4.681 -0.713 207 HE1 HIS 46 HE1 HIS 46 87.132 7.478 -3.474 208 HE2 HIS 46 HE2 HIS 46 87.591 5.031 -3.043 209 H LYS 47 HN LYS 47 91.530 6.406 1.693 210 HA LYS 47 HA LYS 47 92.769 6.224 3.573 211 1HB LYS 47 HB2 LYS 47 94.784 7.578 3.647 212 2HB LYS 47 HB1 LYS 47 94.470 7.010 2.016 213 1HG LYS 47 HG2 LYS 47 93.870 9.129 1.263 214 2HG LYS 47 HG1 LYS 47 93.605 9.738 2.896 215 1HD LYS 47 HD2 LYS 47 95.645 10.684 2.207 216 2HD LYS 47 HD1 LYS 47 96.092 9.351 3.272 217 1HE LYS 47 HE2 LYS 47 97.246 8.367 1.647 218 2HE LYS 47 HE1 LYS 47 95.853 8.416 0.567 219 1HZ LYS 47 HZ1 LYS 47 97.473 9.651 -0.523 220 2HZ LYS 47 HZ2 LYS 47 98.002 10.415 0.890 221 3HZ LYS 47 HZ3 LYS 47 96.514 10.839 0.207 222 H ASP 48 HN ASP 48 90.575 6.956 4.587 223 HA ASP 48 HA ASP 48 91.371 9.031 6.514 224 1HB ASP 48 HB2 ASP 48 89.393 9.500 4.604 225 2HB ASP 48 HB1 ASP 48 88.508 9.094 6.064 226 H ARG 49 HN ARG 49 91.018 6.011 6.144 227 HA ARG 49 HA ARG 49 90.195 4.213 7.288 228 1HB ARG 49 HB2 ARG 49 90.832 4.183 9.585 229 2HB ARG 49 HB1 ARG 49 92.006 5.170 8.728 230 1HG ARG 49 HG2 ARG 49 91.488 7.011 9.891 231 2HG ARG 49 HG1 ARG 49 89.757 6.683 9.834 232 1HD ARG 49 HD2 ARG 49 89.771 5.804 11.879 233 2HD ARG 49 HD1 ARG 49 91.146 4.769 11.499 234 HE ARG 49 HE ARG 49 92.055 7.397 11.877 235 1HH1 ARG 49 1HH1 ARG 49 90.715 4.741 13.699 236 2HH1 ARG 49 2HH1 ARG 49 91.504 5.190 15.173 237 1HH2 ARG 49 1HH2 ARG 49 93.094 7.991 13.815 238 2HH2 ARG 49 2HH2 ARG 49 92.854 7.035 15.240 239 H VAL 50 HN VAL 50 88.082 5.806 6.432 240 HA VAL 50 HA VAL 50 86.132 5.213 8.552 241 HB VAL 50 HB VAL 50 84.758 7.172 7.617 242 1HG1 VAL 50 1HG1 VAL 50 85.789 8.734 9.178 243 2HG1 VAL 50 2HG1 VAL 50 87.242 7.736 9.231 244 3HG1 VAL 50 3HG1 VAL 50 85.718 7.109 9.861 245 1HG2 VAL 50 1HG2 VAL 50 85.643 8.369 5.970 246 2HG2 VAL 50 2HG2 VAL 50 87.144 7.452 6.068 247 3HG2 VAL 50 3HG2 VAL 50 86.919 8.882 7.071 248 HA PRO 51 HA PRO 51 83.524 2.731 6.089 249 1HB PRO 51 HB2 PRO 51 81.699 5.088 5.944 250 2HB PRO 51 HB1 PRO 51 81.337 3.404 6.321 251 1HG PRO 51 HG2 PRO 51 81.706 5.417 8.197 252 2HG PRO 51 HG1 PRO 51 81.805 3.680 8.521 253 1HD PRO 51 HD2 PRO 51 83.913 5.599 8.645 254 2HD PRO 51 HD1 PRO 51 84.036 3.844 8.863 255 HA PRO 52 HA PRO 52 83.399 5.197 2.079 256 1HB PRO 52 HB2 PRO 52 83.353 7.871 2.046 257 2HB PRO 52 HB1 PRO 52 81.942 6.919 2.516 258 1HG PRO 52 HG2 PRO 52 83.724 8.565 4.179 259 2HG PRO 52 HG1 PRO 52 82.075 8.014 4.507 260 1HD PRO 52 HD2 PRO 52 84.583 6.882 5.416 261 2HD PRO 52 HD1 PRO 52 82.933 6.426 5.874 262 H GLU 53 HN GLU 53 85.987 4.567 3.164 263 HA GLU 53 HA GLU 53 87.570 6.132 1.373 264 1HB GLU 53 HB2 GLU 53 88.377 5.940 4.264 265 2HB GLU 53 HB1 GLU 53 89.281 6.743 2.989 266 1HG GLU 53 HG2 GLU 53 86.507 7.608 3.712 267 2HG GLU 53 HG1 GLU 53 87.898 8.145 4.623 268 H ILE 54 HN ILE 54 89.155 4.404 3.878 269 HA ILE 54 HA ILE 54 89.623 2.109 2.110 270 HB ILE 54 HB ILE 54 91.843 2.849 3.920 271 1HG1 ILE 54 2HG1 ILE 54 91.080 4.534 1.544 272 2HG1 ILE 54 1HG1 ILE 54 91.531 5.042 3.159 273 1HG2 ILE 54 1HG2 ILE 54 91.633 0.908 2.207 274 2HG2 ILE 54 2HG2 ILE 54 93.165 1.758 2.388 275 3HG2 ILE 54 3HG2 ILE 54 92.105 2.134 1.031 276 1HD1 ILE 54 1HD1 ILE 54 93.824 4.502 2.762 277 2HD1 ILE 54 2HD1 ILE 54 93.245 5.494 1.425 278 3HD1 ILE 54 3HD1 ILE 54 93.429 3.753 1.215 279 H LEU 55 HN LEU 55 88.255 3.056 4.835 280 HA LEU 55 HA LEU 55 89.272 1.506 6.888 281 1HB LEU 55 HB2 LEU 55 87.631 3.185 7.336 282 2HB LEU 55 HB1 LEU 55 86.439 2.354 6.356 283 HG LEU 55 HG LEU 55 87.483 0.746 8.582 284 1HD1 LEU 55 1HD1 LEU 55 87.392 2.377 10.111 285 2HD1 LEU 55 2HD1 LEU 55 85.644 2.200 9.962 286 3HD1 LEU 55 3HD1 LEU 55 86.484 3.456 9.054 287 1HD2 LEU 55 1HD2 LEU 55 84.630 1.445 8.003 288 2HD2 LEU 55 2HD2 LEU 55 85.298 -0.035 8.692 289 3HD2 LEU 55 3HD2 LEU 55 85.514 0.315 6.978 290 H ALA 56 HN ALA 56 87.795 0.343 4.086 291 HA ALA 56 HA ALA 56 86.302 -1.817 4.728 292 1HB ALA 56 HB1 ALA 56 88.315 -2.494 2.723 293 2HB ALA 56 HB2 ALA 56 87.512 -0.950 2.449 294 3HB ALA 56 HB3 ALA 56 86.558 -2.425 2.595 295 H MET 57 HN MET 57 89.847 -1.995 4.425 296 HA MET 57 HA MET 57 90.031 -4.641 5.354 297 1HB MET 57 HB2 MET 57 92.013 -2.391 5.156 298 2HB MET 57 HB1 MET 57 92.464 -3.954 5.826 299 1HG MET 57 HG2 MET 57 91.079 -4.303 3.337 300 2HG MET 57 HG1 MET 57 92.426 -3.187 3.138 301 1HE MET 57 HE1 MET 57 94.581 -3.602 4.438 302 2HE MET 57 HE2 MET 57 95.490 -5.089 4.157 303 3HE MET 57 HE3 MET 57 94.519 -4.912 5.618 304 H HIS 58 HN HIS 58 89.539 -5.389 7.285 305 HA HIS 58 HA HIS 58 89.341 -3.671 9.579 306 1HB HIS 58 HB2 HIS 58 88.564 -6.411 8.871 307 2HB HIS 58 HB1 HIS 58 89.088 -6.236 10.542 308 HD2 HIS 58 HD2 HIS 58 87.088 -3.358 8.852 309 HE1 HIS 58 HE1 HIS 58 84.616 -5.288 11.694 310 HE2 HIS 58 HE2 HIS 58 84.758 -3.418 9.988 311 H GLU 59 HN GLU 59 91.585 -6.082 8.379 312 HA GLU 59 HA GLU 59 93.082 -6.482 10.718 313 1HB GLU 59 HB2 GLU 59 93.182 -7.801 8.539 314 2HB GLU 59 HB1 GLU 59 94.218 -6.521 7.925 315 1HG GLU 59 HG2 GLU 59 95.960 -7.073 9.322 316 2HG GLU 59 HG1 GLU 59 94.908 -7.863 10.495 317 H ASN 60 HN ASN 60 93.660 -4.272 7.987 318 HA ASN 60 HA ASN 60 95.046 -2.458 9.820 319 1HB ASN 60 HB2 ASN 60 96.266 -3.938 7.603 320 2HB ASN 60 HB1 ASN 60 96.535 -2.200 7.511 321 1HD2 ASN 60 1HD2 ASN 60 96.898 -1.351 9.954 322 2HD2 ASN 60 2HD2 ASN 60 98.214 -2.164 10.742 323 H VAL 61 HN VAL 61 93.345 -1.015 9.720 324 HA VAL 61 HA VAL 61 92.079 -0.194 7.326 325 HB VAL 61 HB VAL 61 91.248 1.735 8.690 326 1HG1 VAL 61 1HG1 VAL 61 90.174 0.122 10.475 327 2HG1 VAL 61 2HG1 VAL 61 90.929 -1.118 9.474 328 3HG1 VAL 61 3HG1 VAL 61 89.762 -0.003 8.763 329 1HG2 VAL 61 1HG2 VAL 61 92.033 2.242 10.741 330 2HG2 VAL 61 2HG2 VAL 61 93.474 1.392 10.186 331 3HG2 VAL 61 3HG2 VAL 61 92.282 0.553 11.179 332 H LEU 62 HN LEU 62 92.039 2.248 6.760 333 HA LEU 62 HA LEU 62 93.102 4.018 5.815 334 1HB LEU 62 HB2 LEU 62 93.776 4.505 8.111 335 2HB LEU 62 HB1 LEU 62 95.167 3.455 7.943 336 HG LEU 62 HG LEU 62 95.102 5.531 5.899 337 1HD1 LEU 62 1HD1 LEU 62 95.456 6.455 8.741 338 2HD1 LEU 62 2HD1 LEU 62 93.978 6.703 7.811 339 3HD1 LEU 62 3HD1 LEU 62 95.492 7.430 7.271 340 1HD2 LEU 62 1HD2 LEU 62 96.974 3.962 7.281 341 2HD2 LEU 62 2HD2 LEU 62 97.322 5.634 7.717 342 3HD2 LEU 62 3HD2 LEU 62 97.287 5.155 6.022 343 H LYS 63 HN LYS 63 96.067 2.302 6.737 344 HA LYS 63 HA LYS 63 97.043 2.440 4.040 345 1HB LYS 63 HB2 LYS 63 98.349 2.535 6.319 346 2HB LYS 63 HB1 LYS 63 98.353 0.784 6.161 347 1HG LYS 63 HG2 LYS 63 99.155 1.724 3.667 348 2HG LYS 63 HG1 LYS 63 99.983 2.756 4.834 349 1HD LYS 63 HD2 LYS 63 100.696 0.650 6.021 350 2HD LYS 63 HD1 LYS 63 100.072 -0.250 4.637 351 1HE LYS 63 HE2 LYS 63 101.650 1.682 3.468 352 2HE LYS 63 HE1 LYS 63 102.547 1.264 4.928 353 1HZ LYS 63 HZ1 LYS 63 101.503 -0.836 3.136 354 2HZ LYS 63 HZ2 LYS 63 102.763 -0.933 4.260 355 3HZ LYS 63 HZ3 LYS 63 102.982 -0.078 2.816 Start of MODEL 16 1 H ARG 16 HN ARG 16 96.580 -11.305 -3.673 2 HA ARG 16 HA ARG 16 94.585 -12.343 -3.334 3 1HB ARG 16 HB2 ARG 16 96.304 -14.218 -2.690 4 2HB ARG 16 HB1 ARG 16 95.726 -13.917 -1.057 5 1HG ARG 16 HG2 ARG 16 94.189 -15.461 -1.548 6 2HG ARG 16 HG1 ARG 16 93.385 -14.145 -2.408 7 1HD ARG 16 HD2 ARG 16 95.348 -15.237 -4.140 8 2HD ARG 16 HD1 ARG 16 94.438 -16.579 -3.447 9 HE ARG 16 HE ARG 16 92.631 -14.614 -4.294 10 1HH1 ARG 16 1HH1 ARG 16 94.886 -16.914 -5.634 11 2HH1 ARG 16 2HH1 ARG 16 94.011 -17.101 -7.115 12 1HH2 ARG 16 1HH2 ARG 16 91.473 -14.860 -6.238 13 2HH2 ARG 16 2HH2 ARG 16 92.070 -15.935 -7.459 14 H GLU 17 HN GLU 17 92.839 -11.533 -2.385 15 HA GLU 17 HA GLU 17 92.377 -11.311 0.354 16 1HB GLU 17 HB2 GLU 17 94.201 -9.422 -0.301 17 2HB GLU 17 HB1 GLU 17 92.720 -8.530 -0.607 18 1HG GLU 17 HG2 GLU 17 92.806 -8.012 1.555 19 2HG GLU 17 HG1 GLU 17 92.207 -9.648 1.825 20 H SER 18 HN SER 18 90.546 -9.543 0.746 21 HA SER 18 HA SER 18 88.556 -10.057 -1.324 22 1HB SER 18 HB2 SER 18 88.223 -8.829 1.424 23 2HB SER 18 HB1 SER 18 86.918 -9.309 0.339 24 HG SER 18 HG SER 18 88.888 -11.110 1.291 25 H LYS 19 HN LYS 19 90.781 -7.985 -1.461 26 HA LYS 19 HA LYS 19 91.107 -5.949 -2.322 27 1HB LYS 19 HB2 LYS 19 88.178 -5.777 -2.953 28 2HB LYS 19 HB1 LYS 19 89.533 -5.054 -3.815 29 1HG LYS 19 HG2 LYS 19 89.811 -7.913 -3.768 30 2HG LYS 19 HG1 LYS 19 88.215 -7.470 -4.374 31 1HD LYS 19 HD2 LYS 19 89.403 -5.852 -5.920 32 2HD LYS 19 HD1 LYS 19 90.906 -6.645 -5.442 33 1HE LYS 19 HE2 LYS 19 90.338 -8.636 -6.467 34 2HE LYS 19 HE1 LYS 19 88.610 -8.286 -6.415 35 1HZ LYS 19 HZ1 LYS 19 89.945 -8.105 -8.633 36 2HZ LYS 19 HZ2 LYS 19 90.342 -6.571 -8.043 37 3HZ LYS 19 HZ3 LYS 19 88.720 -6.990 -8.273 38 H CYS 20 HN CYS 20 90.443 -3.648 -2.156 39 HA CYS 20 HA CYS 20 90.100 -2.994 0.586 40 1HB CYS 20 HB2 CYS 20 91.607 -1.689 -0.778 41 2HB CYS 20 HB1 CYS 20 90.280 -1.206 -1.837 42 HA PRO 21 HA PRO 21 85.916 -1.093 -1.586 43 1HB PRO 21 HB2 PRO 21 85.283 -3.945 -2.235 44 2HB PRO 21 HB1 PRO 21 84.678 -2.466 -2.992 45 1HG PRO 21 HG2 PRO 21 86.650 -3.901 -4.105 46 2HG PRO 21 HG1 PRO 21 86.610 -2.133 -4.205 47 1HD PRO 21 HD2 PRO 21 88.409 -3.875 -2.677 48 2HD PRO 21 HD1 PRO 21 88.628 -2.189 -3.159 49 H THR 22 HN THR 22 86.110 -0.924 0.811 50 HA THR 22 HA THR 22 84.880 -2.991 2.407 51 HB THR 22 HB THR 22 85.059 -0.687 3.957 52 HG1 THR 22 HG1 THR 22 86.323 0.582 2.878 53 1HG2 THR 22 1HG2 THR 22 86.551 -3.164 3.695 54 2HG2 THR 22 2HG2 THR 22 86.061 -2.277 5.140 55 3HG2 THR 22 3HG2 THR 22 87.532 -1.819 4.281 56 HA PRO 23 HA PRO 23 80.650 -1.702 2.748 57 1HB PRO 23 HB2 PRO 23 80.564 -0.357 5.234 58 2HB PRO 23 HB1 PRO 23 80.182 -2.052 4.932 59 1HG PRO 23 HG2 PRO 23 82.695 -0.827 5.940 60 2HG PRO 23 HG1 PRO 23 81.976 -2.401 6.324 61 1HD PRO 23 HD2 PRO 23 84.108 -2.214 4.728 62 2HD PRO 23 HD1 PRO 23 82.823 -3.392 4.396 63 H GLY 24 HN GLY 24 83.155 0.639 3.286 64 1HA GLY 24 HA2 GLY 24 81.307 2.814 2.563 65 2HA GLY 24 HA1 GLY 24 82.833 3.027 3.406 66 H CYS 25 HN CYS 25 84.727 1.911 1.985 67 HA CYS 25 HA CYS 25 85.149 3.619 -0.153 68 1HB CYS 25 HB2 CYS 25 86.956 2.308 1.007 69 2HB CYS 25 HB1 CYS 25 86.412 0.885 0.113 70 H ASP 26 HN ASP 26 85.356 3.222 -2.424 71 HA ASP 26 HA ASP 26 83.229 1.458 -3.406 72 1HB ASP 26 HB2 ASP 26 83.278 3.937 -3.986 73 2HB ASP 26 HB1 ASP 26 84.700 3.586 -4.964 74 H GLY 27 HN GLY 27 86.625 2.312 -3.936 75 1HA GLY 27 HA2 GLY 27 88.364 0.900 -4.569 76 2HA GLY 27 HA1 GLY 27 87.195 -0.382 -4.800 77 H THR 28 HN THR 28 86.966 2.754 -6.203 78 HA THR 28 HA THR 28 87.777 1.781 -8.762 79 HB THR 28 HB THR 28 85.202 1.656 -8.160 80 HG1 THR 28 HG1 THR 28 85.015 1.243 -10.211 81 1HG2 THR 28 1HG2 THR 28 85.244 4.246 -7.871 82 2HG2 THR 28 2HG2 THR 28 83.878 3.439 -8.638 83 3HG2 THR 28 3HG2 THR 28 85.101 4.230 -9.629 84 H GLY 29 HN GLY 29 89.268 3.426 -7.219 85 1HA GLY 29 HA2 GLY 29 89.716 5.637 -8.900 86 2HA GLY 29 HA1 GLY 29 88.820 6.177 -7.489 87 H HIS 30 HN HIS 30 91.534 3.982 -8.120 88 HA HIS 30 HA HIS 30 93.084 3.648 -6.150 89 1HB HIS 30 HB2 HIS 30 93.556 3.993 -8.724 90 2HB HIS 30 HB1 HIS 30 94.508 5.316 -8.127 91 HD2 HIS 30 HD2 HIS 30 94.359 1.404 -7.842 92 HE1 HIS 30 HE1 HIS 30 98.290 2.732 -7.064 93 HE2 HIS 30 HE2 HIS 30 96.772 0.715 -7.216 94 H VAL 31 HN VAL 31 95.297 5.024 -5.722 95 HA VAL 31 HA VAL 31 94.661 6.817 -3.681 96 HB VAL 31 HB VAL 31 96.815 5.596 -3.887 97 1HG1 VAL 31 1HG1 VAL 31 96.961 6.818 -6.366 98 2HG1 VAL 31 2HG1 VAL 31 98.239 5.899 -5.572 99 3HG1 VAL 31 3HG1 VAL 31 98.180 7.654 -5.404 100 1HG2 VAL 31 1HG2 VAL 31 96.877 8.569 -3.414 101 2HG2 VAL 31 2HG2 VAL 31 98.224 7.495 -3.033 102 3HG2 VAL 31 3HG2 VAL 31 96.673 7.283 -2.223 103 H THR 32 HN THR 32 95.243 7.603 -7.075 104 HA THR 32 HA THR 32 94.567 10.364 -6.369 105 HB THR 32 HB THR 32 96.880 10.512 -6.791 106 HG1 THR 32 HG1 THR 32 96.649 12.044 -8.182 107 1HG2 THR 32 1HG2 THR 32 98.042 9.557 -8.651 108 2HG2 THR 32 2HG2 THR 32 96.541 8.905 -9.308 109 3HG2 THR 32 3HG2 THR 32 97.186 8.277 -7.794 110 H GLY 33 HN GLY 33 93.456 7.729 -7.794 111 1HA GLY 33 HA2 GLY 33 91.776 7.363 -9.296 112 2HA GLY 33 HA1 GLY 33 91.621 9.106 -9.412 113 H LEU 34 HN LEU 34 94.762 8.033 -9.931 114 HA LEU 34 HA LEU 34 94.503 8.606 -12.772 115 1HB LEU 34 HB2 LEU 34 96.985 8.217 -11.122 116 2HB LEU 34 HB1 LEU 34 96.928 8.744 -12.799 117 HG LEU 34 HG LEU 34 95.589 10.220 -10.578 118 1HD1 LEU 34 1HD1 LEU 34 97.904 11.595 -11.551 119 2HD1 LEU 34 2HD1 LEU 34 98.382 9.978 -11.035 120 3HD1 LEU 34 3HD1 LEU 34 97.561 11.054 -9.910 121 1HD2 LEU 34 1HD2 LEU 34 96.428 11.150 -13.317 122 2HD2 LEU 34 2HD2 LEU 34 95.471 12.043 -12.134 123 3HD2 LEU 34 3HD2 LEU 34 94.805 10.600 -12.900 124 H TYR 35 HN TYR 35 94.189 6.090 -10.841 125 HA TYR 35 HA TYR 35 95.387 4.188 -12.740 126 1HB TYR 35 HB2 TYR 35 94.714 3.655 -9.863 127 2HB TYR 35 HB1 TYR 35 95.538 2.562 -10.953 128 HD1 TYR 35 HD1 TYR 35 95.974 6.113 -9.937 129 HD2 TYR 35 HD2 TYR 35 97.767 2.304 -10.386 130 HE1 TYR 35 HE1 TYR 35 98.122 7.051 -9.192 131 HE2 TYR 35 HE2 TYR 35 99.924 3.217 -9.663 132 HH TYR 35 HH TYR 35 100.883 5.017 -8.553 133 HA PRO 36 HA PRO 36 91.288 2.794 -13.514 134 1HB PRO 36 HB2 PRO 36 91.621 0.161 -14.033 135 2HB PRO 36 HB1 PRO 36 92.160 1.422 -15.147 136 1HG PRO 36 HG2 PRO 36 93.747 -0.167 -13.174 137 2HG PRO 36 HG1 PRO 36 94.170 0.310 -14.828 138 1HD PRO 36 HD2 PRO 36 95.090 1.603 -12.605 139 2HD PRO 36 HD1 PRO 36 94.876 2.393 -14.179 140 H HIS 37 HN HIS 37 91.680 3.116 -10.784 141 HA HIS 37 HA HIS 37 90.359 2.566 -8.960 142 1HB HIS 37 HB2 HIS 37 90.172 -0.298 -9.854 143 2HB HIS 37 HB1 HIS 37 89.134 0.577 -8.747 144 HD2 HIS 37 HD2 HIS 37 88.314 3.061 -10.712 145 HE1 HIS 37 HE1 HIS 37 86.956 -0.030 -13.262 146 HE2 HIS 37 HE2 HIS 37 86.698 2.412 -12.633 147 H HIS 38 HN HIS 38 90.609 0.620 -7.273 148 HA HIS 38 HA HIS 38 93.433 -0.167 -7.251 149 1HB HIS 38 HB2 HIS 38 93.605 0.353 -4.823 150 2HB HIS 38 HB1 HIS 38 93.456 1.766 -5.854 151 HD1 HIS 38 HD1 HIS 38 91.311 3.204 -5.574 152 HD2 HIS 38 HD2 HIS 38 91.537 -0.104 -3.074 153 HE1 HIS 38 HE1 HIS 38 89.571 3.575 -3.756 154 H ARG 39 HN ARG 39 93.679 -2.212 -6.997 155 HA ARG 39 HA ARG 39 91.594 -4.008 -6.625 156 1HB ARG 39 HB2 ARG 39 94.573 -4.376 -6.347 157 2HB ARG 39 HB1 ARG 39 93.423 -5.705 -6.326 158 1HG ARG 39 HG2 ARG 39 93.746 -5.799 -8.527 159 2HG ARG 39 HG1 ARG 39 92.727 -4.361 -8.611 160 1HD ARG 39 HD2 ARG 39 94.450 -3.033 -9.156 161 2HD ARG 39 HD1 ARG 39 95.527 -3.792 -7.989 162 HE ARG 39 HE ARG 39 96.025 -5.477 -9.623 163 1HH1 ARG 39 1HH1 ARG 39 94.220 -2.744 -10.857 164 2HH1 ARG 39 2HH1 ARG 39 94.687 -3.030 -12.498 165 1HH2 ARG 39 1HH2 ARG 39 96.627 -5.841 -11.782 166 2HH2 ARG 39 2HH2 ARG 39 96.048 -4.782 -13.023 167 H SER 40 HN SER 40 93.652 -2.484 -4.216 168 HA SER 40 HA SER 40 91.998 -3.077 -2.089 169 1HB SER 40 HB2 SER 40 92.964 -5.459 -2.781 170 2HB SER 40 HB1 SER 40 94.307 -4.931 -1.775 171 HG SER 40 HG SER 40 92.534 -4.418 -0.194 172 H LEU 41 HN LEU 41 92.889 -0.819 -2.091 173 HA LEU 41 HA LEU 41 93.958 0.716 -0.777 174 1HB LEU 41 HB2 LEU 41 95.797 -1.374 0.324 175 2HB LEU 41 HB1 LEU 41 95.262 0.120 1.066 176 HG LEU 41 HG LEU 41 93.060 -1.726 0.528 177 1HD1 LEU 41 1HD1 LEU 41 95.411 -2.940 1.425 178 2HD1 LEU 41 2HD1 LEU 41 93.779 -3.601 1.482 179 3HD1 LEU 41 3HD1 LEU 41 94.423 -2.720 2.867 180 1HD2 LEU 41 1HD2 LEU 41 92.945 -1.239 3.132 181 2HD2 LEU 41 2HD2 LEU 41 92.430 -0.060 1.928 182 3HD2 LEU 41 3HD2 LEU 41 94.022 0.077 2.673 183 H SER 42 HN SER 42 95.578 -1.437 -2.896 184 HA SER 42 HA SER 42 98.170 -0.515 -2.947 185 1HB SER 42 HB2 SER 42 96.974 -0.821 -5.622 186 2HB SER 42 HB1 SER 42 98.341 -1.666 -4.894 187 HG SER 42 HG SER 42 96.791 -2.914 -3.716 188 H GLY 43 HN GLY 43 95.258 1.116 -3.758 189 1HA GLY 43 HA2 GLY 43 96.785 3.477 -4.571 190 2HA GLY 43 HA1 GLY 43 95.299 3.019 -5.375 191 H CYS 44 HN CYS 44 93.373 3.071 -4.279 192 HA CYS 44 HA CYS 44 91.812 4.257 -3.052 193 1HB CYS 44 HB2 CYS 44 92.912 2.409 -1.501 194 2HB CYS 44 HB1 CYS 44 93.473 3.817 -0.608 195 HA PRO 45 HA PRO 45 93.777 8.328 -2.441 196 1HB PRO 45 HB2 PRO 45 92.010 9.755 -3.725 197 2HB PRO 45 HB1 PRO 45 92.872 8.509 -4.636 198 1HG PRO 45 HG2 PRO 45 90.109 8.431 -3.488 199 2HG PRO 45 HG1 PRO 45 90.670 7.879 -5.071 200 1HD PRO 45 HD2 PRO 45 90.349 6.283 -2.772 201 2HD PRO 45 HD1 PRO 45 91.233 5.818 -4.236 202 H HIS 46 HN HIS 46 91.091 7.001 -0.991 203 HA HIS 46 HA HIS 46 89.853 9.349 -0.009 204 1HB HIS 46 HB2 HIS 46 89.523 6.579 1.111 205 2HB HIS 46 HB1 HIS 46 88.357 7.889 1.057 206 HD2 HIS 46 HD2 HIS 46 88.950 4.697 -0.660 207 HE1 HIS 46 HE1 HIS 46 87.020 7.102 -3.521 208 HE2 HIS 46 HE2 HIS 46 87.862 4.785 -2.994 209 H LYS 47 HN LYS 47 90.749 6.858 2.340 210 HA LYS 47 HA LYS 47 91.866 6.944 4.295 211 1HB LYS 47 HB2 LYS 47 93.607 7.922 2.499 212 2HB LYS 47 HB1 LYS 47 93.450 9.331 3.543 213 1HG LYS 47 HG2 LYS 47 94.184 8.113 5.438 214 2HG LYS 47 HG1 LYS 47 94.082 6.584 4.568 215 1HD LYS 47 HD2 LYS 47 95.789 8.476 3.192 216 2HD LYS 47 HD1 LYS 47 96.331 8.210 4.850 217 1HE LYS 47 HE2 LYS 47 96.926 6.070 4.450 218 2HE LYS 47 HE1 LYS 47 95.574 5.789 3.352 219 1HZ LYS 47 HZ1 LYS 47 98.274 6.638 2.775 220 2HZ LYS 47 HZ2 LYS 47 97.084 7.511 1.950 221 3HZ LYS 47 HZ3 LYS 47 97.159 5.829 1.792 222 H ASP 48 HN ASP 48 89.584 7.823 4.890 223 HA ASP 48 HA ASP 48 90.068 10.367 6.314 224 1HB ASP 48 HB2 ASP 48 88.467 10.461 4.234 225 2HB ASP 48 HB1 ASP 48 87.302 9.771 5.359 226 H ARG 49 HN ARG 49 89.334 7.141 6.552 227 HA ARG 49 HA ARG 49 88.633 5.814 8.275 228 1HB ARG 49 HB2 ARG 49 90.342 7.084 9.487 229 2HB ARG 49 HB1 ARG 49 89.151 8.308 9.898 230 1HG ARG 49 HG2 ARG 49 87.861 6.491 11.072 231 2HG ARG 49 HG1 ARG 49 89.278 5.468 10.848 232 1HD ARG 49 HD2 ARG 49 90.631 7.173 12.040 233 2HD ARG 49 HD1 ARG 49 89.150 8.072 12.358 234 HE ARG 49 HE ARG 49 89.921 5.504 13.531 235 1HH1 ARG 49 1HH1 ARG 49 87.630 8.139 13.335 236 2HH1 ARG 49 2HH1 ARG 49 86.801 7.683 14.783 237 1HH2 ARG 49 1HH2 ARG 49 88.818 4.906 15.426 238 2HH2 ARG 49 2HH2 ARG 49 87.472 5.852 15.969 239 H VAL 50 HN VAL 50 86.640 5.130 8.493 240 HA VAL 50 HA VAL 50 84.570 5.030 9.500 241 HB VAL 50 HB VAL 50 84.440 8.045 9.539 242 1HG1 VAL 50 1HG1 VAL 50 82.271 6.856 9.499 243 2HG1 VAL 50 2HG1 VAL 50 82.556 7.754 10.992 244 3HG1 VAL 50 3HG1 VAL 50 82.759 6.001 10.964 245 1HG2 VAL 50 1HG2 VAL 50 85.832 6.183 11.245 246 2HG2 VAL 50 2HG2 VAL 50 84.599 7.074 12.137 247 3HG2 VAL 50 3HG2 VAL 50 85.851 7.945 11.252 248 HA PRO 51 HA PRO 51 82.036 6.814 5.980 249 1HB PRO 51 HB2 PRO 51 82.963 8.900 4.468 250 2HB PRO 51 HB1 PRO 51 81.944 9.087 5.895 251 1HG PRO 51 HG2 PRO 51 84.829 9.588 5.557 252 2HG PRO 51 HG1 PRO 51 83.685 10.308 6.694 253 1HD PRO 51 HD2 PRO 51 85.571 8.331 7.275 254 2HD PRO 51 HD1 PRO 51 84.206 8.816 8.291 255 HA PRO 52 HA PRO 52 83.538 4.758 2.394 256 1HB PRO 52 HB2 PRO 52 83.034 7.137 0.670 257 2HB PRO 52 HB1 PRO 52 82.504 5.465 0.457 258 1HG PRO 52 HG2 PRO 52 80.796 7.319 1.288 259 2HG PRO 52 HG1 PRO 52 80.763 5.685 1.980 260 1HD PRO 52 HD2 PRO 52 81.832 8.218 3.142 261 2HD PRO 52 HD1 PRO 52 81.004 6.868 3.945 262 H GLU 53 HN GLU 53 85.769 4.645 2.864 263 HA GLU 53 HA GLU 53 87.389 6.283 1.194 264 1HB GLU 53 HB2 GLU 53 87.715 6.268 4.174 265 2HB GLU 53 HB1 GLU 53 88.976 6.807 3.074 266 1HG GLU 53 HG2 GLU 53 88.020 8.801 3.502 267 2HG GLU 53 HG1 GLU 53 87.004 8.315 2.153 268 H ILE 54 HN ILE 54 89.021 4.778 3.782 269 HA ILE 54 HA ILE 54 89.692 2.519 1.995 270 HB ILE 54 HB ILE 54 91.664 3.217 4.088 271 1HG1 ILE 54 2HG1 ILE 54 91.147 4.975 1.685 272 2HG1 ILE 54 1HG1 ILE 54 91.271 5.441 3.374 273 1HG2 ILE 54 1HG2 ILE 54 92.820 1.763 2.882 274 2HG2 ILE 54 2HG2 ILE 54 92.797 2.871 1.510 275 3HG2 ILE 54 3HG2 ILE 54 91.518 1.677 1.703 276 1HD1 ILE 54 1HD1 ILE 54 93.501 5.584 3.301 277 2HD1 ILE 54 2HD1 ILE 54 93.239 5.747 1.569 278 3HD1 ILE 54 3HD1 ILE 54 93.674 4.181 2.251 279 H LEU 55 HN LEU 55 88.467 3.486 4.982 280 HA LEU 55 HA LEU 55 88.119 2.426 7.013 281 1HB LEU 55 HB2 LEU 55 86.944 0.798 4.817 282 2HB LEU 55 HB1 LEU 55 86.853 0.174 6.454 283 HG LEU 55 HG LEU 55 85.746 2.818 5.501 284 1HD1 LEU 55 1HD1 LEU 55 84.076 1.503 4.804 285 2HD1 LEU 55 2HD1 LEU 55 83.675 1.371 6.515 286 3HD1 LEU 55 3HD1 LEU 55 84.641 0.119 5.738 287 1HD2 LEU 55 1HD2 LEU 55 85.785 3.464 7.622 288 2HD2 LEU 55 2HD2 LEU 55 86.467 1.919 8.127 289 3HD2 LEU 55 3HD2 LEU 55 84.717 2.117 8.020 290 H ALA 56 HN ALA 56 90.834 1.781 6.031 291 HA ALA 56 HA ALA 56 92.571 0.392 6.502 292 1HB ALA 56 HB1 ALA 56 91.589 -1.148 8.657 293 2HB ALA 56 HB2 ALA 56 90.903 0.467 8.793 294 3HB ALA 56 HB3 ALA 56 92.648 0.262 8.706 295 H MET 57 HN MET 57 89.818 -0.840 5.225 296 HA MET 57 HA MET 57 89.397 -2.737 4.051 297 1HB MET 57 HB2 MET 57 92.207 -2.635 4.199 298 2HB MET 57 HB1 MET 57 91.759 -4.291 4.579 299 1HG MET 57 HG2 MET 57 90.249 -3.317 2.341 300 2HG MET 57 HG1 MET 57 91.977 -3.129 2.057 301 1HE MET 57 HE1 MET 57 90.095 -6.010 4.162 302 2HE MET 57 HE2 MET 57 89.731 -7.067 2.799 303 3HE MET 57 HE3 MET 57 89.056 -5.438 2.859 304 H HIS 58 HN HIS 58 91.462 -3.864 6.738 305 HA HIS 58 HA HIS 58 89.302 -5.721 7.457 306 1HB HIS 58 HB2 HIS 58 91.035 -7.112 8.499 307 2HB HIS 58 HB1 HIS 58 91.371 -6.823 6.794 308 HD2 HIS 58 HD2 HIS 58 93.348 -4.668 6.429 309 HE1 HIS 58 HE1 HIS 58 95.164 -5.651 10.125 310 HE2 HIS 58 HE2 HIS 58 95.363 -4.263 8.011 311 H GLU 59 HN GLU 59 88.593 -5.949 9.490 312 HA GLU 59 HA GLU 59 87.771 -5.017 11.420 313 1HB GLU 59 HB2 GLU 59 90.677 -5.319 12.166 314 2HB GLU 59 HB1 GLU 59 89.286 -5.436 13.235 315 1HG GLU 59 HG2 GLU 59 88.792 -7.311 11.256 316 2HG GLU 59 HG1 GLU 59 90.521 -7.443 11.564 317 H ASN 60 HN ASN 60 90.947 -3.587 11.985 318 HA ASN 60 HA ASN 60 90.051 -1.251 13.076 319 1HB ASN 60 HB2 ASN 60 92.292 -0.284 12.405 320 2HB ASN 60 HB1 ASN 60 92.346 -1.796 13.305 321 1HD2 ASN 60 1HD2 ASN 60 92.928 -3.697 12.244 322 2HD2 ASN 60 2HD2 ASN 60 93.753 -3.671 10.718 323 H VAL 61 HN VAL 61 90.406 0.987 12.252 324 HA VAL 61 HA VAL 61 89.510 1.289 9.463 325 HB VAL 61 HB VAL 61 87.623 1.602 11.037 326 1HG1 VAL 61 1HG1 VAL 61 87.571 3.183 12.716 327 2HG1 VAL 61 2HG1 VAL 61 88.891 4.119 12.023 328 3HG1 VAL 61 3HG1 VAL 61 89.225 2.585 12.821 329 1HG2 VAL 61 1HG2 VAL 61 86.726 3.172 9.718 330 2HG2 VAL 61 2HG2 VAL 61 88.268 3.112 8.867 331 3HG2 VAL 61 3HG2 VAL 61 87.983 4.349 10.089 332 H LEU 62 HN LEU 62 90.102 3.338 8.475 333 HA LEU 62 HA LEU 62 91.348 5.229 8.149 334 1HB LEU 62 HB2 LEU 62 92.121 6.456 9.873 335 2HB LEU 62 HB1 LEU 62 91.161 5.338 10.815 336 HG LEU 62 HG LEU 62 93.530 4.021 10.794 337 1HD1 LEU 62 1HD1 LEU 62 94.121 6.693 9.917 338 2HD1 LEU 62 2HD1 LEU 62 95.202 5.314 10.114 339 3HD1 LEU 62 3HD1 LEU 62 94.876 6.383 11.480 340 1HD2 LEU 62 1HD2 LEU 62 92.534 6.151 12.676 341 2HD2 LEU 62 2HD2 LEU 62 93.903 5.099 13.039 342 3HD2 LEU 62 3HD2 LEU 62 92.300 4.407 12.791 343 H LYS 63 HN LYS 63 92.286 2.173 8.265 344 HA LYS 63 HA LYS 63 94.090 0.973 7.575 345 1HB LYS 63 HB2 LYS 63 93.696 2.382 5.563 346 2HB LYS 63 HB1 LYS 63 94.852 3.547 6.189 347 1HG LYS 63 HG2 LYS 63 95.797 2.066 4.461 348 2HG LYS 63 HG1 LYS 63 96.645 1.956 6.003 349 1HD LYS 63 HD2 LYS 63 95.212 -0.064 6.506 350 2HD LYS 63 HD1 LYS 63 94.673 0.002 4.827 351 1HE LYS 63 HE2 LYS 63 97.595 0.050 5.339 352 2HE LYS 63 HE1 LYS 63 96.747 -1.471 5.618 353 1HZ LYS 63 HZ1 LYS 63 95.900 -0.393 3.165 354 2HZ LYS 63 HZ2 LYS 63 96.742 -1.834 3.449 355 3HZ LYS 63 HZ3 LYS 63 97.593 -0.396 3.187 Start of MODEL 17 1 H ARG 16 HN ARG 16 95.316 -10.051 -5.593 2 HA ARG 16 HA ARG 16 95.355 -12.861 -4.971 3 1HB ARG 16 HB2 ARG 16 97.700 -12.401 -5.698 4 2HB ARG 16 HB1 ARG 16 97.833 -11.229 -4.394 5 1HG ARG 16 HG2 ARG 16 96.942 -13.919 -3.599 6 2HG ARG 16 HG1 ARG 16 98.597 -13.799 -4.196 7 1HD ARG 16 HD2 ARG 16 98.155 -11.619 -2.440 8 2HD ARG 16 HD1 ARG 16 97.559 -13.075 -1.643 9 HE ARG 16 HE ARG 16 100.029 -13.734 -2.668 10 1HH1 ARG 16 1HH1 ARG 16 98.773 -11.402 -0.395 11 2HH1 ARG 16 2HH1 ARG 16 100.227 -11.348 0.544 12 1HH2 ARG 16 1HH2 ARG 16 101.942 -13.663 -1.435 13 2HH2 ARG 16 2HH2 ARG 16 102.026 -12.632 -0.047 14 H GLU 17 HN GLU 17 96.069 -9.589 -3.793 15 HA GLU 17 HA GLU 17 95.440 -10.204 -1.076 16 1HB GLU 17 HB2 GLU 17 96.807 -8.195 -2.263 17 2HB GLU 17 HB1 GLU 17 95.268 -7.391 -1.983 18 1HG GLU 17 HG2 GLU 17 95.450 -8.128 0.415 19 2HG GLU 17 HG1 GLU 17 97.101 -8.627 0.051 20 H SER 18 HN SER 18 93.675 -9.206 0.144 21 HA SER 18 HA SER 18 91.159 -9.675 -1.088 22 1HB SER 18 HB2 SER 18 90.209 -9.260 1.023 23 2HB SER 18 HB1 SER 18 91.811 -9.891 1.407 24 HG SER 18 HG SER 18 90.748 -7.526 2.052 25 H LYS 19 HN LYS 19 89.365 -7.856 -0.630 26 HA LYS 19 HA LYS 19 90.192 -5.636 -2.268 27 1HB LYS 19 HB2 LYS 19 87.442 -6.075 -1.129 28 2HB LYS 19 HB1 LYS 19 87.898 -5.139 -2.548 29 1HG LYS 19 HG2 LYS 19 88.810 -7.698 -3.101 30 2HG LYS 19 HG1 LYS 19 87.254 -7.951 -2.308 31 1HD LYS 19 HD2 LYS 19 86.642 -5.921 -3.999 32 2HD LYS 19 HD1 LYS 19 87.878 -6.770 -4.933 33 1HE LYS 19 HE2 LYS 19 86.125 -8.012 -5.615 34 2HE LYS 19 HE1 LYS 19 86.400 -8.859 -4.093 35 1HZ LYS 19 HZ1 LYS 19 84.802 -6.927 -3.260 36 2HZ LYS 19 HZ2 LYS 19 84.220 -8.408 -3.833 37 3HZ LYS 19 HZ3 LYS 19 84.244 -7.059 -4.852 38 H CYS 20 HN CYS 20 88.751 -3.580 -1.558 39 HA CYS 20 HA CYS 20 90.133 -2.450 0.629 40 1HB CYS 20 HB2 CYS 20 88.370 -1.545 -1.447 41 2HB CYS 20 HB1 CYS 20 87.846 -0.870 0.092 42 HA PRO 21 HA PRO 21 88.103 -2.717 4.510 43 1HB PRO 21 HB2 PRO 21 86.477 -0.333 3.922 44 2HB PRO 21 HB1 PRO 21 87.554 -0.651 5.277 45 1HG PRO 21 HG2 PRO 21 88.115 0.789 2.869 46 2HG PRO 21 HG1 PRO 21 89.193 0.491 4.241 47 1HD PRO 21 HD2 PRO 21 89.570 -0.543 1.728 48 2HD PRO 21 HD1 PRO 21 90.205 -1.283 3.207 49 H THR 22 HN THR 22 85.590 -1.176 2.597 50 HA THR 22 HA THR 22 84.076 -3.618 2.373 51 HB THR 22 HB THR 22 83.962 -2.665 4.832 52 HG1 THR 22 HG1 THR 22 81.998 -3.683 5.049 53 1HG2 THR 22 1HG2 THR 22 82.937 -0.472 3.709 54 2HG2 THR 22 2HG2 THR 22 82.538 -1.019 5.338 55 3HG2 THR 22 3HG2 THR 22 81.454 -1.387 3.997 56 HA PRO 23 HA PRO 23 81.640 -1.701 -0.790 57 1HB PRO 23 HB2 PRO 23 79.303 -1.448 1.068 58 2HB PRO 23 HB1 PRO 23 79.355 -2.053 -0.593 59 1HG PRO 23 HG2 PRO 23 79.212 -3.759 1.428 60 2HG PRO 23 HG1 PRO 23 80.266 -4.100 0.043 61 1HD PRO 23 HD2 PRO 23 80.974 -3.168 2.784 62 2HD PRO 23 HD1 PRO 23 81.866 -4.255 1.699 63 H GLY 24 HN GLY 24 81.522 -0.290 2.402 64 1HA GLY 24 HA2 GLY 24 80.527 2.224 1.986 65 2HA GLY 24 HA1 GLY 24 81.856 1.878 3.087 66 H CYS 25 HN CYS 25 83.988 1.309 1.646 67 HA CYS 25 HA CYS 25 84.788 3.753 0.534 68 1HB CYS 25 HB2 CYS 25 86.467 2.061 1.342 69 2HB CYS 25 HB1 CYS 25 86.038 1.059 -0.082 70 H ASP 26 HN ASP 26 85.313 4.247 -1.759 71 HA ASP 26 HA ASP 26 83.092 3.452 -3.411 72 1HB ASP 26 HB2 ASP 26 84.128 5.814 -3.171 73 2HB ASP 26 HB1 ASP 26 85.352 5.227 -4.292 74 H GLY 27 HN GLY 27 86.602 3.051 -3.395 75 1HA GLY 27 HA2 GLY 27 87.899 1.481 -4.497 76 2HA GLY 27 HA1 GLY 27 86.414 0.673 -4.947 77 H THR 28 HN THR 28 87.451 3.916 -5.618 78 HA THR 28 HA THR 28 87.901 3.347 -8.388 79 HB THR 28 HB THR 28 85.408 4.323 -7.458 80 HG1 THR 28 HG1 THR 28 85.741 2.949 -9.245 81 1HG2 THR 28 1HG2 THR 28 85.063 6.318 -8.751 82 2HG2 THR 28 2HG2 THR 28 86.747 6.307 -9.275 83 3HG2 THR 28 3HG2 THR 28 86.354 6.589 -7.579 84 H GLY 29 HN GLY 29 89.425 4.636 -9.267 85 1HA GLY 29 HA2 GLY 29 90.696 6.565 -9.585 86 2HA GLY 29 HA1 GLY 29 89.970 7.264 -8.148 87 H HIS 30 HN HIS 30 91.342 4.079 -8.050 88 HA HIS 30 HA HIS 30 92.843 3.317 -6.405 89 1HB HIS 30 HB2 HIS 30 93.659 3.683 -8.858 90 2HB HIS 30 HB1 HIS 30 94.801 4.753 -8.114 91 HD2 HIS 30 HD2 HIS 30 93.748 0.964 -7.808 92 HE1 HIS 30 HE1 HIS 30 97.912 1.366 -7.206 93 HE2 HIS 30 HE2 HIS 30 96.016 -0.261 -7.592 94 H VAL 31 HN VAL 31 95.453 4.430 -5.950 95 HA VAL 31 HA VAL 31 94.842 6.103 -3.727 96 HB VAL 31 HB VAL 31 96.758 4.554 -3.708 97 1HG1 VAL 31 1HG1 VAL 31 98.488 6.387 -5.226 98 2HG1 VAL 31 2HG1 VAL 31 97.330 5.459 -6.180 99 3HG1 VAL 31 3HG1 VAL 31 98.491 4.625 -5.144 100 1HG2 VAL 31 1HG2 VAL 31 96.571 6.897 -2.453 101 2HG2 VAL 31 2HG2 VAL 31 98.041 7.201 -3.377 102 3HG2 VAL 31 3HG2 VAL 31 97.964 5.832 -2.268 103 H THR 32 HN THR 32 96.035 6.834 -6.986 104 HA THR 32 HA THR 32 95.811 9.675 -6.250 105 HB THR 32 HB THR 32 98.130 9.337 -6.472 106 HG1 THR 32 HG1 THR 32 97.550 11.115 -7.663 107 1HG2 THR 32 1HG2 THR 32 98.050 7.109 -7.527 108 2HG2 THR 32 2HG2 THR 32 99.225 8.193 -8.269 109 3HG2 THR 32 3HG2 THR 32 97.683 7.885 -9.066 110 H GLY 33 HN GLY 33 94.030 7.612 -7.663 111 1HA GLY 33 HA2 GLY 33 92.490 7.662 -9.356 112 2HA GLY 33 HA1 GLY 33 92.836 9.376 -9.450 113 H LEU 34 HN LEU 34 95.562 7.418 -9.861 114 HA LEU 34 HA LEU 34 95.569 8.062 -12.704 115 1HB LEU 34 HB2 LEU 34 97.812 7.011 -11.000 116 2HB LEU 34 HB1 LEU 34 97.939 7.575 -12.660 117 HG LEU 34 HG LEU 34 96.928 9.320 -10.471 118 1HD1 LEU 34 1HD1 LEU 34 99.742 9.571 -11.405 119 2HD1 LEU 34 2HD1 LEU 34 99.372 8.294 -10.249 120 3HD1 LEU 34 3HD1 LEU 34 99.036 9.977 -9.843 121 1HD2 LEU 34 1HD2 LEU 34 98.404 10.303 -12.851 122 2HD2 LEU 34 2HD2 LEU 34 97.075 11.041 -11.958 123 3HD2 LEU 34 3HD2 LEU 34 96.756 9.717 -13.078 124 H TYR 35 HN TYR 35 94.514 5.656 -10.831 125 HA TYR 35 HA TYR 35 95.279 3.607 -12.815 126 1HB TYR 35 HB2 TYR 35 94.599 3.128 -9.927 127 2HB TYR 35 HB1 TYR 35 95.131 1.919 -11.077 128 HD1 TYR 35 HD1 TYR 35 96.393 5.295 -10.097 129 HD2 TYR 35 HD2 TYR 35 97.254 1.162 -10.512 130 HE1 TYR 35 HE1 TYR 35 98.715 5.725 -9.431 131 HE2 TYR 35 HE2 TYR 35 99.582 1.576 -9.858 132 HH TYR 35 HH TYR 35 100.630 4.105 -8.296 133 HA PRO 36 HA PRO 36 90.977 3.128 -13.592 134 1HB PRO 36 HB2 PRO 36 91.213 0.225 -13.818 135 2HB PRO 36 HB1 PRO 36 90.917 1.417 -15.085 136 1HG PRO 36 HG2 PRO 36 93.244 0.042 -14.879 137 2HG PRO 36 HG1 PRO 36 93.151 1.684 -15.539 138 1HD PRO 36 HD2 PRO 36 94.008 0.780 -12.816 139 2HD PRO 36 HD1 PRO 36 94.698 2.047 -13.852 140 H HIS 37 HN HIS 37 91.571 3.239 -10.808 141 HA HIS 37 HA HIS 37 90.142 3.005 -8.984 142 1HB HIS 37 HB2 HIS 37 89.251 0.299 -9.971 143 2HB HIS 37 HB1 HIS 37 88.502 1.327 -8.763 144 HD2 HIS 37 HD2 HIS 37 88.337 4.036 -10.694 145 HE1 HIS 37 HE1 HIS 37 85.910 1.495 -13.047 146 HE2 HIS 37 HE2 HIS 37 86.690 3.880 -12.688 147 H HIS 38 HN HIS 38 89.939 0.920 -7.404 148 HA HIS 38 HA HIS 38 92.482 -0.499 -7.421 149 1HB HIS 38 HB2 HIS 38 92.858 0.031 -5.034 150 2HB HIS 38 HB1 HIS 38 92.929 1.459 -6.059 151 HD1 HIS 38 HD1 HIS 38 91.167 3.278 -5.661 152 HD2 HIS 38 HD2 HIS 38 90.657 -0.125 -3.346 153 HE1 HIS 38 HE1 HIS 38 89.395 3.857 -3.912 154 H ARG 39 HN ARG 39 89.431 0.023 -5.723 155 HA ARG 39 HA ARG 39 88.081 -1.378 -4.535 156 1HB ARG 39 HB2 ARG 39 87.991 -1.936 -7.174 157 2HB ARG 39 HB1 ARG 39 88.422 -3.519 -6.541 158 1HG ARG 39 HG2 ARG 39 86.393 -3.859 -5.659 159 2HG ARG 39 HG1 ARG 39 86.246 -2.193 -5.099 160 1HD ARG 39 HD2 ARG 39 86.157 -2.103 -7.911 161 2HD ARG 39 HD1 ARG 39 85.111 -3.435 -7.421 162 HE ARG 39 HE ARG 39 84.546 -1.213 -5.810 163 1HH1 ARG 39 1HH1 ARG 39 84.220 -2.245 -9.129 164 2HH1 ARG 39 2HH1 ARG 39 82.822 -1.268 -9.426 165 1HH2 ARG 39 1HH2 ARG 39 82.706 0.072 -6.200 166 2HH2 ARG 39 2HH2 ARG 39 81.961 0.047 -7.764 167 H SER 40 HN SER 40 91.077 -1.776 -4.049 168 HA SER 40 HA SER 40 90.743 -4.070 -2.398 169 1HB SER 40 HB2 SER 40 92.294 -5.572 -3.380 170 2HB SER 40 HB1 SER 40 91.200 -5.059 -4.664 171 HG SER 40 HG SER 40 93.807 -4.055 -4.160 172 H LEU 41 HN LEU 41 91.855 -1.148 -2.455 173 HA LEU 41 HA LEU 41 93.264 -0.058 -1.041 174 1HB LEU 41 HB2 LEU 41 94.600 -2.616 -0.248 175 2HB LEU 41 HB1 LEU 41 94.394 -1.145 0.683 176 HG LEU 41 HG LEU 41 91.809 -2.201 0.064 177 1HD1 LEU 41 1HD1 LEU 41 92.299 -4.398 -0.041 178 2HD1 LEU 41 2HD1 LEU 41 92.363 -4.252 1.715 179 3HD1 LEU 41 3HD1 LEU 41 93.852 -4.201 0.770 180 1HD2 LEU 41 1HD2 LEU 41 92.143 -0.768 1.915 181 2HD2 LEU 41 2HD2 LEU 41 93.389 -1.821 2.583 182 3HD2 LEU 41 3HD2 LEU 41 91.709 -2.350 2.565 183 H SER 42 HN SER 42 94.181 -1.977 -3.625 184 HA SER 42 HA SER 42 96.952 -1.832 -3.668 185 1HB SER 42 HB2 SER 42 94.856 -1.846 -5.819 186 2HB SER 42 HB1 SER 42 96.547 -1.599 -6.250 187 HG SER 42 HG SER 42 95.721 -3.757 -4.625 188 H GLY 43 HN GLY 43 94.581 0.646 -3.931 189 1HA GLY 43 HA2 GLY 43 96.667 2.650 -4.132 190 2HA GLY 43 HA1 GLY 43 95.387 2.697 -5.316 191 H CYS 44 HN CYS 44 93.192 2.681 -4.452 192 HA CYS 44 HA CYS 44 91.551 3.811 -3.305 193 1HB CYS 44 HB2 CYS 44 92.432 2.040 -1.633 194 2HB CYS 44 HB1 CYS 44 93.154 3.414 -0.803 195 HA PRO 45 HA PRO 45 93.460 7.895 -2.829 196 1HB PRO 45 HB2 PRO 45 91.676 9.275 -4.216 197 2HB PRO 45 HB1 PRO 45 92.746 8.129 -5.030 198 1HG PRO 45 HG2 PRO 45 89.856 7.882 -4.368 199 2HG PRO 45 HG1 PRO 45 90.756 7.203 -5.733 200 1HD PRO 45 HD2 PRO 45 90.049 5.895 -3.297 201 2HD PRO 45 HD1 PRO 45 91.051 5.253 -4.610 202 H HIS 46 HN HIS 46 91.658 6.793 -0.677 203 HA HIS 46 HA HIS 46 90.328 9.331 0.001 204 1HB HIS 46 HB2 HIS 46 89.452 6.669 1.063 205 2HB HIS 46 HB1 HIS 46 88.552 8.177 0.973 206 HD2 HIS 46 HD2 HIS 46 88.862 4.944 -0.811 207 HE1 HIS 46 HE1 HIS 46 87.215 7.632 -3.614 208 HE2 HIS 46 HE2 HIS 46 87.506 5.194 -3.005 209 H LYS 47 HN LYS 47 90.499 6.782 2.434 210 HA LYS 47 HA LYS 47 91.688 6.595 4.356 211 1HB LYS 47 HB2 LYS 47 93.550 7.871 2.584 212 2HB LYS 47 HB1 LYS 47 93.698 8.589 4.181 213 1HG LYS 47 HG2 LYS 47 94.324 6.586 5.157 214 2HG LYS 47 HG1 LYS 47 93.662 5.619 3.848 215 1HD LYS 47 HD2 LYS 47 95.501 7.069 2.503 216 2HD LYS 47 HD1 LYS 47 96.277 6.959 4.084 217 1HE LYS 47 HE2 LYS 47 95.154 4.422 3.216 218 2HE LYS 47 HE1 LYS 47 96.347 5.053 2.081 219 1HZ LYS 47 HZ1 LYS 47 97.862 5.331 4.014 220 2HZ LYS 47 HZ2 LYS 47 97.473 3.720 3.675 221 3HZ LYS 47 HZ3 LYS 47 96.733 4.513 4.973 222 H ASP 48 HN ASP 48 89.586 7.631 4.976 223 HA ASP 48 HA ASP 48 90.197 10.124 6.421 224 1HB ASP 48 HB2 ASP 48 88.901 10.607 4.312 225 2HB ASP 48 HB1 ASP 48 87.576 9.674 4.997 226 H ARG 49 HN ARG 49 89.597 7.056 6.819 227 HA ARG 49 HA ARG 49 88.671 5.762 8.456 228 1HB ARG 49 HB2 ARG 49 89.919 7.418 9.862 229 2HB ARG 49 HB1 ARG 49 88.427 8.329 10.025 230 1HG ARG 49 HG2 ARG 49 87.373 6.416 11.120 231 2HG ARG 49 HG1 ARG 49 88.865 5.495 10.944 232 1HD ARG 49 HD2 ARG 49 89.709 6.401 12.789 233 2HD ARG 49 HD1 ARG 49 89.402 8.030 12.187 234 HE ARG 49 HE ARG 49 87.586 8.134 13.561 235 1HH1 ARG 49 1HH1 ARG 49 88.417 4.776 13.100 236 2HH1 ARG 49 2HH1 ARG 49 87.239 4.201 14.232 237 1HH2 ARG 49 1HH2 ARG 49 86.037 7.379 15.050 238 2HH2 ARG 49 2HH2 ARG 49 85.889 5.677 15.340 239 H VAL 50 HN VAL 50 86.902 6.497 6.523 240 HA VAL 50 HA VAL 50 84.396 6.403 8.014 241 HB VAL 50 HB VAL 50 83.908 7.932 5.626 242 1HG1 VAL 50 1HG1 VAL 50 82.259 8.325 7.088 243 2HG1 VAL 50 2HG1 VAL 50 83.326 9.581 7.718 244 3HG1 VAL 50 3HG1 VAL 50 83.286 7.991 8.482 245 1HG2 VAL 50 1HG2 VAL 50 85.666 9.434 7.542 246 2HG2 VAL 50 2HG2 VAL 50 85.109 9.920 5.941 247 3HG2 VAL 50 3HG2 VAL 50 86.318 8.647 6.104 248 HA PRO 51 HA PRO 51 83.174 3.008 5.529 249 1HB PRO 51 HB2 PRO 51 81.015 4.382 4.173 250 2HB PRO 51 HB1 PRO 51 80.927 3.131 5.410 251 1HG PRO 51 HG2 PRO 51 80.724 6.048 5.695 252 2HG PRO 51 HG1 PRO 51 80.188 4.771 6.799 253 1HD PRO 51 HD2 PRO 51 82.291 6.362 7.363 254 2HD PRO 51 HD1 PRO 51 82.244 4.660 7.865 255 HA PRO 52 HA PRO 52 83.592 4.733 1.105 256 1HB PRO 52 HB2 PRO 52 83.286 7.322 0.554 257 2HB PRO 52 HB1 PRO 52 81.888 6.272 0.820 258 1HG PRO 52 HG2 PRO 52 83.210 8.176 2.720 259 2HG PRO 52 HG1 PRO 52 81.481 7.942 2.400 260 1HD PRO 52 HD2 PRO 52 82.788 6.823 4.525 261 2HD PRO 52 HD1 PRO 52 81.351 6.113 3.769 262 H GLU 53 HN GLU 53 85.848 4.309 2.387 263 HA GLU 53 HA GLU 53 87.703 6.080 1.193 264 1HB GLU 53 HB2 GLU 53 87.276 6.158 4.158 265 2HB GLU 53 HB1 GLU 53 88.851 6.531 3.472 266 1HG GLU 53 HG2 GLU 53 88.102 8.630 3.416 267 2HG GLU 53 HG1 GLU 53 87.234 8.116 1.974 268 H ILE 54 HN ILE 54 88.718 4.678 4.109 269 HA ILE 54 HA ILE 54 89.398 2.092 3.176 270 HB ILE 54 HB ILE 54 91.985 3.030 3.822 271 1HG1 ILE 54 2HG1 ILE 54 90.717 4.658 1.614 272 2HG1 ILE 54 1HG1 ILE 54 91.323 5.268 3.143 273 1HG2 ILE 54 1HG2 ILE 54 90.653 1.795 1.467 274 2HG2 ILE 54 2HG2 ILE 54 91.906 1.151 2.525 275 3HG2 ILE 54 3HG2 ILE 54 92.316 2.361 1.310 276 1HD1 ILE 54 1HD1 ILE 54 92.752 4.587 0.692 277 2HD1 ILE 54 2HD1 ILE 54 93.515 4.005 2.170 278 3HD1 ILE 54 3HD1 ILE 54 93.165 5.721 1.972 279 H LEU 55 HN LEU 55 88.126 3.467 5.351 280 HA LEU 55 HA LEU 55 89.521 3.725 7.670 281 1HB LEU 55 HB2 LEU 55 87.496 3.403 8.865 282 2HB LEU 55 HB1 LEU 55 87.082 4.167 7.342 283 HG LEU 55 HG LEU 55 86.847 1.197 7.790 284 1HD1 LEU 55 1HD1 LEU 55 85.202 1.709 9.220 285 2HD1 LEU 55 2HD1 LEU 55 84.292 2.116 7.766 286 3HD1 LEU 55 3HD1 LEU 55 85.112 3.384 8.677 287 1HD2 LEU 55 1HD2 LEU 55 86.711 1.390 5.535 288 2HD2 LEU 55 2HD2 LEU 55 86.213 3.080 5.600 289 3HD2 LEU 55 3HD2 LEU 55 85.039 1.804 5.915 290 H ALA 56 HN ALA 56 88.598 0.816 6.091 291 HA ALA 56 HA ALA 56 89.935 -0.723 8.166 292 1HB ALA 56 HB1 ALA 56 88.308 -2.239 8.171 293 2HB ALA 56 HB2 ALA 56 88.293 -2.332 6.410 294 3HB ALA 56 HB3 ALA 56 87.366 -1.080 7.234 295 H MET 57 HN MET 57 91.801 0.165 6.807 296 HA MET 57 HA MET 57 92.277 -1.333 4.360 297 1HB MET 57 HB2 MET 57 92.879 1.157 4.791 298 2HB MET 57 HB1 MET 57 94.262 0.510 5.663 299 1HG MET 57 HG2 MET 57 94.777 -0.794 3.530 300 2HG MET 57 HG1 MET 57 93.614 0.268 2.741 301 1HE MET 57 HE1 MET 57 97.871 1.111 3.967 302 2HE MET 57 HE2 MET 57 96.932 -0.369 4.148 303 3HE MET 57 HE3 MET 57 96.799 0.912 5.354 304 H HIS 58 HN HIS 58 94.183 -2.627 4.053 305 HA HIS 58 HA HIS 58 94.602 -4.572 5.962 306 1HB HIS 58 HB2 HIS 58 95.838 -3.799 3.428 307 2HB HIS 58 HB1 HIS 58 96.962 -4.591 4.527 308 HD2 HIS 58 HD2 HIS 58 93.421 -5.390 2.977 309 HE1 HIS 58 HE1 HIS 58 95.556 -8.973 3.689 310 HE2 HIS 58 HE2 HIS 58 93.509 -7.954 2.596 311 H GLU 59 HN GLU 59 96.035 -1.423 5.745 312 HA GLU 59 HA GLU 59 97.791 -2.125 8.001 313 1HB GLU 59 HB2 GLU 59 98.794 -1.464 5.645 314 2HB GLU 59 HB1 GLU 59 98.479 0.167 6.222 315 1HG GLU 59 HG2 GLU 59 100.554 -0.020 7.054 316 2HG GLU 59 HG1 GLU 59 99.721 -0.841 8.374 317 H ASN 60 HN ASN 60 96.226 -1.512 9.512 318 HA ASN 60 HA ASN 60 95.226 -0.111 10.987 319 1HB ASN 60 HB2 ASN 60 96.976 2.056 9.828 320 2HB ASN 60 HB1 ASN 60 96.276 1.991 11.444 321 1HD2 ASN 60 1HD2 ASN 60 99.091 1.983 10.157 322 2HD2 ASN 60 2HD2 ASN 60 99.923 0.759 11.067 323 H VAL 61 HN VAL 61 93.799 1.703 11.264 324 HA VAL 61 HA VAL 61 92.185 2.196 8.883 325 HB VAL 61 HB VAL 61 90.904 1.482 10.755 326 1HG1 VAL 61 1HG1 VAL 61 92.501 3.488 12.311 327 2HG1 VAL 61 2HG1 VAL 61 92.315 1.758 12.596 328 3HG1 VAL 61 3HG1 VAL 61 90.969 2.855 12.913 329 1HG2 VAL 61 1HG2 VAL 61 89.293 3.134 10.906 330 2HG2 VAL 61 2HG2 VAL 61 90.161 3.601 9.445 331 3HG2 VAL 61 3HG2 VAL 61 90.483 4.434 10.964 332 H LEU 62 HN LEU 62 91.534 4.351 8.218 333 HA LEU 62 HA LEU 62 91.915 6.582 7.824 334 1HB LEU 62 HB2 LEU 62 91.505 6.541 10.394 335 2HB LEU 62 HB1 LEU 62 93.231 6.814 10.510 336 HG LEU 62 HG LEU 62 91.530 8.645 8.856 337 1HD1 LEU 62 1HD1 LEU 62 91.886 9.932 11.273 338 2HD1 LEU 62 2HD1 LEU 62 91.406 8.299 11.736 339 3HD1 LEU 62 3HD1 LEU 62 90.379 9.251 10.664 340 1HD2 LEU 62 1HD2 LEU 62 93.437 10.138 10.050 341 2HD2 LEU 62 2HD2 LEU 62 93.633 9.355 8.483 342 3HD2 LEU 62 3HD2 LEU 62 94.264 8.584 9.938 343 H LYS 63 HN LYS 63 93.516 7.982 7.074 344 HA LYS 63 HA LYS 63 95.468 8.217 5.857 345 1HB LYS 63 HB2 LYS 63 95.713 8.841 8.604 346 2HB LYS 63 HB1 LYS 63 97.240 8.127 8.107 347 1HG LYS 63 HG2 LYS 63 97.749 10.213 7.481 348 2HG LYS 63 HG1 LYS 63 96.783 9.833 6.054 349 1HD LYS 63 HD2 LYS 63 95.199 10.759 8.331 350 2HD LYS 63 HD1 LYS 63 96.363 11.950 7.746 351 1HE LYS 63 HE2 LYS 63 94.282 10.528 6.090 352 2HE LYS 63 HE1 LYS 63 94.213 12.206 6.626 353 1HZ LYS 63 HZ1 LYS 63 96.584 12.121 5.372 354 2HZ LYS 63 HZ2 LYS 63 95.138 12.611 4.643 355 3HZ LYS 63 HZ3 LYS 63 95.691 11.025 4.443 Start of MODEL 18 1 H ARG 16 HN ARG 16 93.702 -11.703 -7.921 2 HA ARG 16 HA ARG 16 92.227 -10.192 -9.781 3 1HB ARG 16 HB2 ARG 16 92.044 -12.863 -8.555 4 2HB ARG 16 HB1 ARG 16 90.503 -12.190 -9.067 5 1HG ARG 16 HG2 ARG 16 92.643 -11.926 -11.046 6 2HG ARG 16 HG1 ARG 16 92.207 -13.590 -10.655 7 1HD ARG 16 HD2 ARG 16 90.299 -11.421 -11.527 8 2HD ARG 16 HD1 ARG 16 90.903 -12.726 -12.542 9 HE ARG 16 HE ARG 16 89.585 -14.256 -11.330 10 1HH1 ARG 16 1HH1 ARG 16 89.124 -10.964 -10.241 11 2HH1 ARG 16 2HH1 ARG 16 87.633 -11.314 -9.433 12 1HH2 ARG 16 1HH2 ARG 16 87.628 -14.706 -10.263 13 2HH2 ARG 16 2HH2 ARG 16 86.786 -13.433 -9.443 14 H GLU 17 HN GLU 17 91.013 -11.518 -6.700 15 HA GLU 17 HA GLU 17 88.793 -9.744 -6.631 16 1HB GLU 17 HB2 GLU 17 89.681 -12.036 -5.200 17 2HB GLU 17 HB1 GLU 17 89.344 -10.771 -4.026 18 1HG GLU 17 HG2 GLU 17 87.102 -10.577 -4.733 19 2HG GLU 17 HG1 GLU 17 87.400 -11.539 -6.181 20 H SER 18 HN SER 18 88.345 -8.114 -5.047 21 HA SER 18 HA SER 18 90.672 -6.458 -4.520 22 1HB SER 18 HB2 SER 18 88.744 -4.913 -3.635 23 2HB SER 18 HB1 SER 18 88.965 -5.148 -5.366 24 HG SER 18 HG SER 18 86.849 -5.534 -5.057 25 H LYS 19 HN LYS 19 90.814 -5.293 -2.381 26 HA LYS 19 HA LYS 19 89.967 -7.037 -0.180 27 1HB LYS 19 HB2 LYS 19 92.700 -5.927 -0.706 28 2HB LYS 19 HB1 LYS 19 92.205 -6.409 0.910 29 1HG LYS 19 HG2 LYS 19 93.202 -8.329 0.212 30 2HG LYS 19 HG1 LYS 19 91.548 -8.641 -0.323 31 1HD LYS 19 HD2 LYS 19 92.059 -8.198 -2.554 32 2HD LYS 19 HD1 LYS 19 93.523 -7.307 -2.142 33 1HE LYS 19 HE2 LYS 19 93.815 -9.931 -1.124 34 2HE LYS 19 HE1 LYS 19 93.220 -10.073 -2.777 35 1HZ LYS 19 HZ1 LYS 19 95.035 -8.507 -3.418 36 2HZ LYS 19 HZ2 LYS 19 95.569 -10.016 -2.872 37 3HZ LYS 19 HZ3 LYS 19 95.661 -8.669 -1.855 38 H CYS 20 HN CYS 20 90.573 -3.822 -1.274 39 HA CYS 20 HA CYS 20 90.237 -2.626 1.327 40 1HB CYS 20 HB2 CYS 20 91.651 -1.592 -0.446 41 2HB CYS 20 HB1 CYS 20 90.176 -1.216 -1.340 42 HA PRO 21 HA PRO 21 85.994 -1.431 -1.082 43 1HB PRO 21 HB2 PRO 21 85.518 -4.358 -1.479 44 2HB PRO 21 HB1 PRO 21 84.874 -2.986 -2.392 45 1HG PRO 21 HG2 PRO 21 86.893 -4.388 -3.362 46 2HG PRO 21 HG1 PRO 21 86.887 -2.620 -3.505 47 1HD PRO 21 HD2 PRO 21 88.487 -4.370 -1.703 48 2HD PRO 21 HD1 PRO 21 88.911 -2.804 -2.423 49 H THR 22 HN THR 22 86.006 -0.953 1.220 50 HA THR 22 HA THR 22 84.883 -2.963 2.993 51 HB THR 22 HB THR 22 84.993 -0.576 4.384 52 HG1 THR 22 HG1 THR 22 87.423 -0.255 3.467 53 1HG2 THR 22 1HG2 THR 22 87.382 -1.437 5.007 54 2HG2 THR 22 2HG2 THR 22 86.881 -2.853 4.082 55 3HG2 THR 22 3HG2 THR 22 85.947 -2.344 5.486 56 HA PRO 23 HA PRO 23 80.616 -1.795 3.203 57 1HB PRO 23 HB2 PRO 23 80.494 -0.199 5.544 58 2HB PRO 23 HB1 PRO 23 80.137 -1.923 5.409 59 1HG PRO 23 HG2 PRO 23 82.629 -0.568 6.300 60 2HG PRO 23 HG1 PRO 23 81.937 -2.115 6.822 61 1HD PRO 23 HD2 PRO 23 84.067 -2.036 5.224 62 2HD PRO 23 HD1 PRO 23 82.804 -3.259 4.987 63 H GLY 24 HN GLY 24 83.014 0.704 3.583 64 1HA GLY 24 HA2 GLY 24 81.102 2.709 2.589 65 2HA GLY 24 HA1 GLY 24 82.605 3.070 3.425 66 H CYS 25 HN CYS 25 84.588 1.988 2.180 67 HA CYS 25 HA CYS 25 84.977 3.440 -0.126 68 1HB CYS 25 HB2 CYS 25 86.798 2.332 1.206 69 2HB CYS 25 HB1 CYS 25 86.325 0.798 0.460 70 H ASP 26 HN ASP 26 85.261 2.752 -2.389 71 HA ASP 26 HA ASP 26 83.176 0.802 -3.109 72 1HB ASP 26 HB2 ASP 26 83.015 3.253 -3.828 73 2HB ASP 26 HB1 ASP 26 84.338 2.899 -4.933 74 H GLY 27 HN GLY 27 86.554 1.615 -3.576 75 1HA GLY 27 HA2 GLY 27 88.256 0.183 -4.306 76 2HA GLY 27 HA1 GLY 27 87.040 -1.001 -4.733 77 H THR 28 HN THR 28 87.323 2.316 -5.611 78 HA THR 28 HA THR 28 88.049 1.785 -8.306 79 HB THR 28 HB THR 28 85.303 2.545 -7.460 80 HG1 THR 28 HG1 THR 28 85.440 0.606 -8.421 81 1HG2 THR 28 1HG2 THR 28 85.001 3.455 -9.873 82 2HG2 THR 28 2HG2 THR 28 86.706 3.876 -9.718 83 3HG2 THR 28 3HG2 THR 28 85.531 4.526 -8.575 84 H GLY 29 HN GLY 29 89.315 3.404 -9.014 85 1HA GLY 29 HA2 GLY 29 90.067 5.591 -9.257 86 2HA GLY 29 HA1 GLY 29 88.950 6.102 -7.997 87 H HIS 30 HN HIS 30 91.718 3.915 -8.300 88 HA HIS 30 HA HIS 30 92.881 3.545 -6.002 89 1HB HIS 30 HB2 HIS 30 93.686 3.534 -8.482 90 2HB HIS 30 HB1 HIS 30 94.616 4.910 -7.995 91 HD2 HIS 30 HD2 HIS 30 94.317 1.080 -7.164 92 HE1 HIS 30 HE1 HIS 30 98.262 2.418 -6.466 93 HE2 HIS 30 HE2 HIS 30 96.701 0.425 -6.397 94 H VAL 31 HN VAL 31 95.174 4.868 -5.485 95 HA VAL 31 HA VAL 31 94.488 6.840 -3.658 96 HB VAL 31 HB VAL 31 96.663 5.637 -3.702 97 1HG1 VAL 31 1HG1 VAL 31 97.922 7.637 -5.438 98 2HG1 VAL 31 2HG1 VAL 31 96.882 6.475 -6.261 99 3HG1 VAL 31 3HG1 VAL 31 98.231 5.908 -5.278 100 1HG2 VAL 31 1HG2 VAL 31 97.001 8.629 -3.592 101 2HG2 VAL 31 2HG2 VAL 31 97.942 7.410 -2.732 102 3HG2 VAL 31 3HG2 VAL 31 96.246 7.670 -2.319 103 H THR 32 HN THR 32 95.228 7.336 -7.082 104 HA THR 32 HA THR 32 94.517 10.149 -6.665 105 HB THR 32 HB THR 32 96.798 10.349 -7.098 106 HG1 THR 32 HG1 THR 32 95.745 11.617 -8.599 107 1HG2 THR 32 1HG2 THR 32 97.122 7.929 -7.675 108 2HG2 THR 32 2HG2 THR 32 98.097 9.076 -8.593 109 3HG2 THR 32 3HG2 THR 32 96.667 8.348 -9.325 110 H GLY 33 HN GLY 33 93.562 7.324 -7.947 111 1HA GLY 33 HA2 GLY 33 91.874 6.823 -9.400 112 2HA GLY 33 HA1 GLY 33 91.697 8.546 -9.673 113 H LEU 34 HN LEU 34 94.853 7.458 -10.024 114 HA LEU 34 HA LEU 34 94.651 7.766 -12.913 115 1HB LEU 34 HB2 LEU 34 97.101 7.614 -11.178 116 2HB LEU 34 HB1 LEU 34 97.066 7.995 -12.896 117 HG LEU 34 HG LEU 34 95.630 9.593 -10.823 118 1HD1 LEU 34 1HD1 LEU 34 98.453 9.699 -11.733 119 2HD1 LEU 34 2HD1 LEU 34 97.757 10.137 -10.179 120 3HD1 LEU 34 3HD1 LEU 34 97.615 11.236 -11.543 121 1HD2 LEU 34 1HD2 LEU 34 94.883 10.884 -12.481 122 2HD2 LEU 34 2HD2 LEU 34 95.311 9.538 -13.536 123 3HD2 LEU 34 3HD2 LEU 34 96.438 10.876 -13.313 124 H TYR 35 HN TYR 35 94.326 5.445 -10.775 125 HA TYR 35 HA TYR 35 95.632 3.392 -12.430 126 1HB TYR 35 HB2 TYR 35 94.812 3.105 -9.554 127 2HB TYR 35 HB1 TYR 35 95.725 1.945 -10.494 128 HD1 TYR 35 HD1 TYR 35 96.017 5.579 -9.768 129 HD2 TYR 35 HD2 TYR 35 97.926 1.798 -9.779 130 HE1 TYR 35 HE1 TYR 35 98.089 6.635 -8.976 131 HE2 TYR 35 HE2 TYR 35 100.009 2.835 -9.000 132 HH TYR 35 HH TYR 35 100.650 4.928 -7.713 133 HA PRO 36 HA PRO 36 91.564 1.845 -13.203 134 1HB PRO 36 HB2 PRO 36 91.904 -0.818 -13.420 135 2HB PRO 36 HB1 PRO 36 92.554 0.305 -14.619 136 1HG PRO 36 HG2 PRO 36 93.950 -1.067 -12.357 137 2HG PRO 36 HG1 PRO 36 94.504 -0.803 -14.021 138 1HD PRO 36 HD2 PRO 36 95.279 0.745 -11.899 139 2HD PRO 36 HD1 PRO 36 95.222 1.331 -13.572 140 H HIS 37 HN HIS 37 91.897 2.466 -10.493 141 HA HIS 37 HA HIS 37 90.531 2.144 -8.645 142 1HB HIS 37 HB2 HIS 37 90.238 -0.785 -9.245 143 2HB HIS 37 HB1 HIS 37 89.209 0.254 -8.274 144 HD2 HIS 37 HD2 HIS 37 88.715 2.535 -10.647 145 HE1 HIS 37 HE1 HIS 37 87.003 -0.771 -12.655 146 HE2 HIS 37 HE2 HIS 37 87.029 1.758 -12.455 147 H HIS 38 HN HIS 38 90.671 0.363 -6.779 148 HA HIS 38 HA HIS 38 93.444 -0.567 -6.590 149 1HB HIS 38 HB2 HIS 38 93.678 0.322 -4.310 150 2HB HIS 38 HB1 HIS 38 93.430 1.611 -5.478 151 HD1 HIS 38 HD1 HIS 38 91.211 2.932 -5.329 152 HD2 HIS 38 HD2 HIS 38 91.695 -0.012 -2.448 153 HE1 HIS 38 HE1 HIS 38 89.390 3.325 -3.604 154 H ARG 39 HN ARG 39 93.651 -2.508 -5.633 155 HA ARG 39 HA ARG 39 91.173 -3.712 -4.607 156 1HB ARG 39 HB2 ARG 39 93.575 -4.981 -5.918 157 2HB ARG 39 HB1 ARG 39 92.206 -5.872 -5.275 158 1HG ARG 39 HG2 ARG 39 90.868 -5.344 -7.017 159 2HG ARG 39 HG1 ARG 39 91.580 -3.742 -7.215 160 1HD ARG 39 HD2 ARG 39 93.223 -4.492 -8.596 161 2HD ARG 39 HD1 ARG 39 93.299 -6.075 -7.825 162 HE ARG 39 HE ARG 39 91.059 -6.432 -9.007 163 1HH1 ARG 39 1HH1 ARG 39 93.655 -4.480 -10.303 164 2HH1 ARG 39 2HH1 ARG 39 93.203 -4.761 -11.948 165 1HH2 ARG 39 1HH2 ARG 39 90.478 -6.802 -11.168 166 2HH2 ARG 39 2HH2 ARG 39 91.403 -6.079 -12.441 167 H SER 40 HN SER 40 93.576 -2.261 -3.149 168 HA SER 40 HA SER 40 93.408 -3.909 -0.856 169 1HB SER 40 HB2 SER 40 95.554 -4.891 -0.738 170 2HB SER 40 HB1 SER 40 94.924 -5.251 -2.344 171 HG SER 40 HG SER 40 96.135 -3.266 -2.975 172 H LEU 41 HN LEU 41 93.371 -0.965 -1.587 173 HA LEU 41 HA LEU 41 93.822 0.903 -0.365 174 1HB LEU 41 HB2 LEU 41 95.858 -0.477 1.323 175 2HB LEU 41 HB1 LEU 41 94.765 0.825 1.745 176 HG LEU 41 HG LEU 41 93.349 -1.652 1.112 177 1HD1 LEU 41 1HD1 LEU 41 94.032 -2.947 2.983 178 2HD1 LEU 41 2HD1 LEU 41 95.082 -1.662 3.575 179 3HD1 LEU 41 3HD1 LEU 41 95.497 -2.529 2.100 180 1HD2 LEU 41 1HD2 LEU 41 92.107 -1.098 3.042 181 2HD2 LEU 41 2HD2 LEU 41 92.467 0.417 2.223 182 3HD2 LEU 41 3HD2 LEU 41 93.384 -0.046 3.652 183 H SER 42 HN SER 42 96.367 -1.070 -1.683 184 HA SER 42 HA SER 42 98.619 0.440 -1.517 185 1HB SER 42 HB2 SER 42 98.963 -0.248 -4.020 186 2HB SER 42 HB1 SER 42 98.879 -1.500 -2.782 187 HG SER 42 HG SER 42 97.478 -1.531 -4.860 188 H GLY 43 HN GLY 43 95.686 1.184 -3.190 189 1HA GLY 43 HA2 GLY 43 96.840 3.691 -4.183 190 2HA GLY 43 HA1 GLY 43 95.457 2.883 -4.887 191 H CYS 44 HN CYS 44 93.497 2.946 -3.925 192 HA CYS 44 HA CYS 44 91.778 4.156 -2.933 193 1HB CYS 44 HB2 CYS 44 92.811 2.503 -1.178 194 2HB CYS 44 HB1 CYS 44 93.355 3.974 -0.383 195 HA PRO 45 HA PRO 45 93.468 8.384 -2.541 196 1HB PRO 45 HB2 PRO 45 91.720 9.618 -4.025 197 2HB PRO 45 HB1 PRO 45 92.696 8.361 -4.790 198 1HG PRO 45 HG2 PRO 45 89.887 8.192 -3.754 199 2HG PRO 45 HG1 PRO 45 90.532 7.619 -5.300 200 1HD PRO 45 HD2 PRO 45 90.207 6.054 -3.004 201 2HD PRO 45 HD1 PRO 45 91.258 5.642 -4.370 202 H HIS 46 HN HIS 46 90.768 7.015 -1.154 203 HA HIS 46 HA HIS 46 89.323 9.336 -0.427 204 1HB HIS 46 HB2 HIS 46 89.234 6.656 0.938 205 2HB HIS 46 HB1 HIS 46 87.962 7.856 0.815 206 HD2 HIS 46 HD2 HIS 46 88.729 4.597 -0.692 207 HE1 HIS 46 HE1 HIS 46 86.627 6.686 -3.679 208 HE2 HIS 46 HE2 HIS 46 87.583 4.455 -2.997 209 H LYS 47 HN LYS 47 90.761 7.069 1.902 210 HA LYS 47 HA LYS 47 91.698 7.359 3.917 211 1HB LYS 47 HB2 LYS 47 93.721 8.559 3.948 212 2HB LYS 47 HB1 LYS 47 93.527 7.978 2.306 213 1HG LYS 47 HG2 LYS 47 92.392 10.503 2.258 214 2HG LYS 47 HG1 LYS 47 93.793 10.682 3.305 215 1HD LYS 47 HD2 LYS 47 95.280 10.125 1.631 216 2HD LYS 47 HD1 LYS 47 94.072 9.225 0.713 217 1HE LYS 47 HE2 LYS 47 93.721 11.014 -0.552 218 2HE LYS 47 HE1 LYS 47 93.182 11.906 0.869 219 1HZ LYS 47 HZ1 LYS 47 95.397 12.441 -0.656 220 2HZ LYS 47 HZ2 LYS 47 96.025 11.742 0.749 221 3HZ LYS 47 HZ3 LYS 47 95.032 13.107 0.857 222 H ASP 48 HN ASP 48 89.430 8.115 4.530 223 HA ASP 48 HA ASP 48 89.792 10.693 5.923 224 1HB ASP 48 HB2 ASP 48 87.954 10.443 3.931 225 2HB ASP 48 HB1 ASP 48 86.990 9.994 5.332 226 H ARG 49 HN ARG 49 89.472 7.426 6.207 227 HA ARG 49 HA ARG 49 88.965 6.023 7.935 228 1HB ARG 49 HB2 ARG 49 90.583 7.546 9.040 229 2HB ARG 49 HB1 ARG 49 89.236 8.509 9.623 230 1HG ARG 49 HG2 ARG 49 88.497 6.089 10.522 231 2HG ARG 49 HG1 ARG 49 90.249 5.911 10.549 232 1HD ARG 49 HD2 ARG 49 90.512 7.754 12.002 233 2HD ARG 49 HD1 ARG 49 88.841 8.269 11.769 234 HE ARG 49 HE ARG 49 88.503 5.848 12.845 235 1HH1 ARG 49 1HH1 ARG 49 90.594 8.483 13.782 236 2HH1 ARG 49 2HH1 ARG 49 90.562 8.077 15.464 237 1HH2 ARG 49 1HH2 ARG 49 88.455 5.316 15.064 238 2HH2 ARG 49 2HH2 ARG 49 89.347 6.281 16.192 239 H VAL 50 HN VAL 50 87.046 5.134 8.211 240 HA VAL 50 HA VAL 50 85.061 4.809 9.343 241 HB VAL 50 HB VAL 50 84.647 7.789 9.510 242 1HG1 VAL 50 1HG1 VAL 50 82.804 5.818 9.765 243 2HG1 VAL 50 2HG1 VAL 50 82.724 7.379 10.583 244 3HG1 VAL 50 3HG1 VAL 50 83.377 5.974 11.426 245 1HG2 VAL 50 1HG2 VAL 50 86.271 7.759 11.048 246 2HG2 VAL 50 2HG2 VAL 50 86.340 5.998 11.058 247 3HG2 VAL 50 3HG2 VAL 50 85.151 6.841 12.052 248 HA PRO 51 HA PRO 51 82.187 6.582 6.053 249 1HB PRO 51 HB2 PRO 51 82.881 8.663 4.487 250 2HB PRO 51 HB1 PRO 51 82.212 8.891 6.105 251 1HG PRO 51 HG2 PRO 51 85.033 9.074 5.169 252 2HG PRO 51 HG1 PRO 51 84.181 10.057 6.371 253 1HD PRO 51 HD2 PRO 51 85.903 7.977 6.948 254 2HD PRO 51 HD1 PRO 51 84.669 8.608 8.054 255 HA PRO 52 HA PRO 52 83.392 4.530 2.354 256 1HB PRO 52 HB2 PRO 52 82.679 6.857 0.640 257 2HB PRO 52 HB1 PRO 52 82.137 5.178 0.535 258 1HG PRO 52 HG2 PRO 52 80.527 7.075 1.486 259 2HG PRO 52 HG1 PRO 52 80.547 5.449 2.195 260 1HD PRO 52 HD2 PRO 52 81.739 7.985 3.224 261 2HD PRO 52 HD1 PRO 52 80.980 6.652 4.117 262 H GLU 53 HN GLU 53 85.672 4.858 3.115 263 HA GLU 53 HA GLU 53 87.134 6.346 1.135 264 1HB GLU 53 HB2 GLU 53 87.833 6.416 4.058 265 2HB GLU 53 HB1 GLU 53 88.680 7.257 2.768 266 1HG GLU 53 HG2 GLU 53 85.806 7.790 3.438 267 2HG GLU 53 HG1 GLU 53 87.137 8.608 4.225 268 H ILE 54 HN ILE 54 88.994 5.092 3.695 269 HA ILE 54 HA ILE 54 89.763 2.816 1.983 270 HB ILE 54 HB ILE 54 91.540 3.582 4.235 271 1HG1 ILE 54 2HG1 ILE 54 91.279 5.265 1.728 272 2HG1 ILE 54 1HG1 ILE 54 91.037 5.782 3.393 273 1HG2 ILE 54 1HG2 ILE 54 91.659 2.071 1.812 274 2HG2 ILE 54 2HG2 ILE 54 92.810 2.135 3.142 275 3HG2 ILE 54 3HG2 ILE 54 92.932 3.286 1.811 276 1HD1 ILE 54 1HD1 ILE 54 93.668 4.646 2.994 277 2HD1 ILE 54 2HD1 ILE 54 93.197 6.204 3.664 278 3HD1 ILE 54 3HD1 ILE 54 93.357 6.008 1.921 279 H LEU 55 HN LEU 55 88.523 3.805 5.006 280 HA LEU 55 HA LEU 55 87.997 2.734 6.961 281 1HB LEU 55 HB2 LEU 55 86.875 1.214 4.693 282 2HB LEU 55 HB1 LEU 55 86.814 0.420 6.254 283 HG LEU 55 HG LEU 55 85.792 3.221 5.908 284 1HD1 LEU 55 1HD1 LEU 55 84.726 1.637 4.255 285 2HD1 LEU 55 2HD1 LEU 55 83.630 2.430 5.386 286 3HD1 LEU 55 3HD1 LEU 55 84.101 0.752 5.646 287 1HD2 LEU 55 1HD2 LEU 55 86.228 2.158 8.172 288 2HD2 LEU 55 2HD2 LEU 55 84.899 1.064 7.796 289 3HD2 LEU 55 3HD2 LEU 55 84.608 2.798 7.900 290 H ALA 56 HN ALA 56 90.714 2.186 6.159 291 HA ALA 56 HA ALA 56 92.465 0.834 6.663 292 1HB ALA 56 HB1 ALA 56 90.603 0.682 8.922 293 2HB ALA 56 HB2 ALA 56 92.298 1.153 8.878 294 3HB ALA 56 HB3 ALA 56 91.859 -0.551 8.888 295 H MET 57 HN MET 57 90.239 -0.387 4.997 296 HA MET 57 HA MET 57 90.051 -2.353 3.841 297 1HB MET 57 HB2 MET 57 92.557 -2.526 4.396 298 2HB MET 57 HB1 MET 57 92.067 -3.625 5.675 299 1HG MET 57 HG2 MET 57 90.771 -4.443 3.300 300 2HG MET 57 HG1 MET 57 92.469 -4.164 2.918 301 1HE MET 57 HE1 MET 57 94.320 -5.287 3.628 302 2HE MET 57 HE2 MET 57 94.398 -6.860 4.426 303 3HE MET 57 HE3 MET 57 94.306 -5.384 5.389 304 H HIS 58 HN HIS 58 90.613 -3.131 7.297 305 HA HIS 58 HA HIS 58 87.921 -4.172 7.513 306 1HB HIS 58 HB2 HIS 58 90.167 -5.906 6.993 307 2HB HIS 58 HB1 HIS 58 89.467 -6.276 8.564 308 HD2 HIS 58 HD2 HIS 58 88.021 -8.470 8.037 309 HE1 HIS 58 HE1 HIS 58 85.960 -6.945 4.669 310 HE2 HIS 58 HE2 HIS 58 86.063 -8.822 6.370 311 H GLU 59 HN GLU 59 89.773 -2.143 8.789 312 HA GLU 59 HA GLU 59 89.366 -3.040 11.565 313 1HB GLU 59 HB2 GLU 59 91.775 -1.857 10.285 314 2HB GLU 59 HB1 GLU 59 91.408 -1.364 11.933 315 1HG GLU 59 HG2 GLU 59 92.652 -3.150 12.467 316 2HG GLU 59 HG1 GLU 59 91.155 -4.035 12.165 317 H ASN 60 HN ASN 60 89.099 -0.497 9.221 318 HA ASN 60 HA ASN 60 88.018 1.500 9.259 319 1HB ASN 60 HB2 ASN 60 86.918 0.713 11.956 320 2HB ASN 60 HB1 ASN 60 86.208 1.816 10.781 321 1HD2 ASN 60 1HD2 ASN 60 85.454 -0.848 12.116 322 2HD2 ASN 60 2HD2 ASN 60 84.859 -1.797 10.788 323 H VAL 61 HN VAL 61 90.218 2.363 9.511 324 HA VAL 61 HA VAL 61 90.314 4.307 11.561 325 HB VAL 61 HB VAL 61 91.019 2.252 12.828 326 1HG1 VAL 61 1HG1 VAL 61 92.920 1.087 12.382 327 2HG1 VAL 61 2HG1 VAL 61 93.712 2.453 11.597 328 3HG1 VAL 61 3HG1 VAL 61 92.470 1.543 10.742 329 1HG2 VAL 61 1HG2 VAL 61 92.748 3.387 14.051 330 2HG2 VAL 61 2HG2 VAL 61 91.558 4.571 13.515 331 3HG2 VAL 61 3HG2 VAL 61 93.101 4.429 12.674 332 H LEU 62 HN LEU 62 90.587 4.030 8.633 333 HA LEU 62 HA LEU 62 91.751 5.043 6.952 334 1HB LEU 62 HB2 LEU 62 92.120 6.643 9.161 335 2HB LEU 62 HB1 LEU 62 93.761 6.349 8.626 336 HG LEU 62 HG LEU 62 91.677 7.282 6.682 337 1HD1 LEU 62 1HD1 LEU 62 93.137 9.520 7.369 338 2HD1 LEU 62 2HD1 LEU 62 92.779 8.769 8.923 339 3HD1 LEU 62 3HD1 LEU 62 91.465 9.188 7.822 340 1HD2 LEU 62 1HD2 LEU 62 93.948 8.396 5.893 341 2HD2 LEU 62 2HD2 LEU 62 93.520 6.741 5.460 342 3HD2 LEU 62 3HD2 LEU 62 94.632 7.043 6.792 343 H LYS 63 HN LYS 63 93.081 2.718 8.867 344 HA LYS 63 HA LYS 63 95.559 2.647 7.277 345 1HB LYS 63 HB2 LYS 63 95.102 2.293 10.171 346 2HB LYS 63 HB1 LYS 63 96.193 1.131 9.432 347 1HG LYS 63 HG2 LYS 63 97.672 2.753 10.043 348 2HG LYS 63 HG1 LYS 63 97.285 3.283 8.405 349 1HD LYS 63 HD2 LYS 63 95.369 4.390 10.213 350 2HD LYS 63 HD1 LYS 63 96.990 4.716 10.830 351 1HE LYS 63 HE2 LYS 63 97.322 5.282 8.206 352 2HE LYS 63 HE1 LYS 63 95.631 5.731 8.424 353 1HZ LYS 63 HZ1 LYS 63 97.983 7.081 9.296 354 2HZ LYS 63 HZ2 LYS 63 96.931 6.796 10.591 355 3HZ LYS 63 HZ3 LYS 63 96.386 7.641 9.230 Start of MODEL 19 1 H ARG 16 HN ARG 16 94.433 -11.831 -4.553 2 HA ARG 16 HA ARG 16 93.167 -9.336 -3.723 3 1HB ARG 16 HB2 ARG 16 92.236 -12.211 -3.597 4 2HB ARG 16 HB1 ARG 16 91.305 -10.851 -2.984 5 1HG ARG 16 HG2 ARG 16 91.378 -9.879 -5.289 6 2HG ARG 16 HG1 ARG 16 92.093 -11.397 -5.834 7 1HD ARG 16 HD2 ARG 16 89.545 -11.429 -4.274 8 2HD ARG 16 HD1 ARG 16 89.515 -11.031 -5.991 9 HE ARG 16 HE ARG 16 90.938 -13.457 -5.335 10 1HH1 ARG 16 1HH1 ARG 16 87.862 -12.055 -6.213 11 2HH1 ARG 16 2HH1 ARG 16 87.227 -13.536 -6.844 12 1HH2 ARG 16 1HH2 ARG 16 90.098 -15.406 -6.163 13 2HH2 ARG 16 2HH2 ARG 16 88.492 -15.437 -6.811 14 H GLU 17 HN GLU 17 92.660 -12.109 -1.698 15 HA GLU 17 HA GLU 17 93.339 -12.655 0.409 16 1HB GLU 17 HB2 GLU 17 95.622 -11.584 -0.707 17 2HB GLU 17 HB1 GLU 17 95.413 -10.620 0.748 18 1HG GLU 17 HG2 GLU 17 95.055 -13.008 1.832 19 2HG GLU 17 HG1 GLU 17 96.026 -13.502 0.444 20 H SER 18 HN SER 18 94.018 -9.155 0.208 21 HA SER 18 HA SER 18 91.924 -8.720 2.234 22 1HB SER 18 HB2 SER 18 93.329 -7.133 3.398 23 2HB SER 18 HB1 SER 18 94.218 -8.648 3.240 24 HG SER 18 HG SER 18 95.655 -7.654 2.078 25 H LYS 19 HN LYS 19 90.496 -8.004 0.603 26 HA LYS 19 HA LYS 19 91.198 -5.944 -1.202 27 1HB LYS 19 HB2 LYS 19 88.367 -6.613 -0.519 28 2HB LYS 19 HB1 LYS 19 89.062 -6.168 -2.063 29 1HG LYS 19 HG2 LYS 19 90.227 -8.630 -1.190 30 2HG LYS 19 HG1 LYS 19 88.471 -8.746 -1.103 31 1HD LYS 19 HD2 LYS 19 89.122 -7.463 -3.543 32 2HD LYS 19 HD1 LYS 19 90.171 -8.872 -3.389 33 1HE LYS 19 HE2 LYS 19 88.100 -9.438 -4.545 34 2HE LYS 19 HE1 LYS 19 88.226 -10.293 -3.007 35 1HZ LYS 19 HZ1 LYS 19 86.026 -9.476 -3.198 36 2HZ LYS 19 HZ2 LYS 19 86.548 -7.924 -3.617 37 3HZ LYS 19 HZ3 LYS 19 86.797 -8.505 -2.049 38 H CYS 20 HN CYS 20 89.577 -4.092 -1.320 39 HA CYS 20 HA CYS 20 89.588 -2.677 1.245 40 1HB CYS 20 HB2 CYS 20 91.081 -1.880 -0.593 41 2HB CYS 20 HB1 CYS 20 89.640 -1.494 -1.525 42 HA PRO 21 HA PRO 21 85.492 -1.360 -1.335 43 1HB PRO 21 HB2 PRO 21 84.977 -4.214 -2.069 44 2HB PRO 21 HB1 PRO 21 84.466 -2.733 -2.890 45 1HG PRO 21 HG2 PRO 21 86.522 -4.118 -3.818 46 2HG PRO 21 HG1 PRO 21 86.575 -2.345 -3.787 47 1HD PRO 21 HD2 PRO 21 87.951 -4.311 -2.026 48 2HD PRO 21 HD1 PRO 21 88.483 -2.708 -2.569 49 H THR 22 HN THR 22 85.010 -0.989 0.841 50 HA THR 22 HA THR 22 83.367 -3.114 2.058 51 HB THR 22 HB THR 22 85.700 -2.234 3.143 52 HG1 THR 22 HG1 THR 22 85.082 -3.431 4.795 53 1HG2 THR 22 1HG2 THR 22 83.732 -0.824 4.873 54 2HG2 THR 22 2HG2 THR 22 84.443 0.033 3.507 55 3HG2 THR 22 3HG2 THR 22 85.479 -0.631 4.763 56 HA PRO 23 HA PRO 23 79.852 -0.500 2.559 57 1HB PRO 23 HB2 PRO 23 80.546 -0.112 5.447 58 2HB PRO 23 HB1 PRO 23 78.987 -0.504 4.712 59 1HG PRO 23 HG2 PRO 23 80.429 -2.401 5.884 60 2HG PRO 23 HG1 PRO 23 79.561 -2.732 4.374 61 1HD PRO 23 HD2 PRO 23 82.469 -2.332 4.838 62 2HD PRO 23 HD1 PRO 23 81.648 -3.335 3.628 63 H GLY 24 HN GLY 24 80.829 1.177 1.291 64 1HA GLY 24 HA2 GLY 24 80.634 3.687 1.768 65 2HA GLY 24 HA1 GLY 24 81.979 3.387 2.853 66 H CYS 25 HN CYS 25 83.826 2.042 1.615 67 HA CYS 25 HA CYS 25 85.050 3.747 -0.185 68 1HB CYS 25 HB2 CYS 25 86.468 2.088 0.769 69 2HB CYS 25 HB1 CYS 25 85.366 0.789 0.292 70 H ASP 26 HN ASP 26 85.335 3.707 -2.488 71 HA ASP 26 HA ASP 26 82.971 2.676 -3.883 72 1HB ASP 26 HB2 ASP 26 83.527 5.150 -3.918 73 2HB ASP 26 HB1 ASP 26 84.934 4.735 -4.894 74 H GLY 27 HN GLY 27 86.499 2.939 -4.228 75 1HA GLY 27 HA2 GLY 27 87.931 1.334 -5.165 76 2HA GLY 27 HA1 GLY 27 86.528 0.433 -5.680 77 H THR 28 HN THR 28 87.492 3.730 -6.278 78 HA THR 28 HA THR 28 88.081 3.255 -9.014 79 HB THR 28 HB THR 28 85.449 3.924 -8.225 80 HG1 THR 28 HG1 THR 28 86.681 3.807 -10.774 81 1HG2 THR 28 1HG2 THR 28 86.687 6.103 -9.884 82 2HG2 THR 28 2HG2 THR 28 86.050 6.275 -8.249 83 3HG2 THR 28 3HG2 THR 28 84.966 5.878 -9.580 84 H GLY 29 HN GLY 29 89.782 4.485 -9.465 85 1HA GLY 29 HA2 GLY 29 90.863 6.569 -9.772 86 2HA GLY 29 HA1 GLY 29 89.883 7.251 -8.483 87 H HIS 30 HN HIS 30 91.454 4.202 -8.067 88 HA HIS 30 HA HIS 30 92.720 3.590 -6.181 89 1HB HIS 30 HB2 HIS 30 93.863 3.892 -8.534 90 2HB HIS 30 HB1 HIS 30 94.852 5.030 -7.659 91 HD2 HIS 30 HD2 HIS 30 93.948 1.194 -7.466 92 HE1 HIS 30 HE1 HIS 30 97.879 1.854 -6.060 93 HE2 HIS 30 HE2 HIS 30 96.071 0.120 -6.444 94 H VAL 31 HN VAL 31 95.054 4.526 -5.248 95 HA VAL 31 HA VAL 31 94.331 6.334 -3.215 96 HB VAL 31 HB VAL 31 96.172 4.772 -2.943 97 1HG1 VAL 31 1HG1 VAL 31 98.150 6.381 -4.369 98 2HG1 VAL 31 2HG1 VAL 31 97.001 5.533 -5.404 99 3HG1 VAL 31 3HG1 VAL 31 97.979 4.630 -4.248 100 1HG2 VAL 31 1HG2 VAL 31 96.560 7.668 -2.469 101 2HG2 VAL 31 2HG2 VAL 31 97.929 6.597 -2.181 102 3HG2 VAL 31 3HG2 VAL 31 96.413 6.339 -1.320 103 H THR 32 HN THR 32 95.911 7.013 -6.340 104 HA THR 32 HA THR 32 95.828 9.860 -5.608 105 HB THR 32 HB THR 32 97.773 10.232 -6.897 106 HG1 THR 32 HG1 THR 32 97.168 7.721 -8.013 107 1HG2 THR 32 1HG2 THR 32 99.424 9.034 -5.867 108 2HG2 THR 32 2HG2 THR 32 98.517 7.521 -5.925 109 3HG2 THR 32 3HG2 THR 32 98.079 8.771 -4.758 110 H GLY 33 HN GLY 33 94.102 7.714 -7.325 111 1HA GLY 33 HA2 GLY 33 92.614 7.950 -9.062 112 2HA GLY 33 HA1 GLY 33 92.957 9.667 -8.993 113 H LEU 34 HN LEU 34 95.701 7.745 -9.266 114 HA LEU 34 HA LEU 34 95.934 8.456 -12.091 115 1HB LEU 34 HB2 LEU 34 98.162 7.722 -10.219 116 2HB LEU 34 HB1 LEU 34 98.303 8.408 -11.833 117 HG LEU 34 HG LEU 34 96.860 9.821 -9.651 118 1HD1 LEU 34 1HD1 LEU 34 99.490 10.901 -10.128 119 2HD1 LEU 34 2HD1 LEU 34 99.595 9.229 -9.583 120 3HD1 LEU 34 3HD1 LEU 34 98.742 10.420 -8.607 121 1HD2 LEU 34 1HD2 LEU 34 97.724 10.429 -12.394 122 2HD2 LEU 34 2HD2 LEU 34 97.948 11.725 -11.220 123 3HD2 LEU 34 3HD2 LEU 34 96.346 11.034 -11.477 124 H TYR 35 HN TYR 35 94.989 5.945 -10.294 125 HA TYR 35 HA TYR 35 96.314 4.008 -12.085 126 1HB TYR 35 HB2 TYR 35 95.127 3.388 -9.399 127 2HB TYR 35 HB1 TYR 35 96.043 2.295 -10.410 128 HD1 TYR 35 HD1 TYR 35 96.601 5.749 -9.138 129 HD2 TYR 35 HD2 TYR 35 98.088 1.792 -9.436 130 HE1 TYR 35 HE1 TYR 35 98.645 6.441 -7.959 131 HE2 TYR 35 HE2 TYR 35 100.146 2.466 -8.276 132 HH TYR 35 HH TYR 35 100.938 4.181 -6.785 133 HA PRO 36 HA PRO 36 92.305 3.018 -13.601 134 1HB PRO 36 HB2 PRO 36 92.784 0.145 -13.608 135 2HB PRO 36 HB1 PRO 36 92.699 1.255 -14.977 136 1HG PRO 36 HG2 PRO 36 95.005 0.053 -14.174 137 2HG PRO 36 HG1 PRO 36 94.957 1.629 -14.983 138 1HD PRO 36 HD2 PRO 36 95.289 0.998 -12.075 139 2HD PRO 36 HD1 PRO 36 96.085 2.248 -13.057 140 H HIS 37 HN HIS 37 92.315 3.376 -10.822 141 HA HIS 37 HA HIS 37 90.843 3.061 -9.100 142 1HB HIS 37 HB2 HIS 37 89.734 0.513 -10.129 143 2HB HIS 37 HB1 HIS 37 88.928 1.837 -9.317 144 HD2 HIS 37 HD2 HIS 37 89.669 4.163 -11.560 145 HE1 HIS 37 HE1 HIS 37 87.522 1.576 -14.128 146 HE2 HIS 37 HE2 HIS 37 88.573 3.870 -13.892 147 H HIS 38 HN HIS 38 90.348 1.267 -7.504 148 HA HIS 38 HA HIS 38 92.621 -0.602 -7.390 149 1HB HIS 38 HB2 HIS 38 92.812 -0.297 -4.984 150 2HB HIS 38 HB1 HIS 38 92.994 1.256 -5.780 151 HD1 HIS 38 HD1 HIS 38 90.830 2.855 -5.651 152 HD2 HIS 38 HD2 HIS 38 91.030 -0.356 -3.014 153 HE1 HIS 38 HE1 HIS 38 88.970 3.232 -3.934 154 H ARG 39 HN ARG 39 89.348 0.164 -6.348 155 HA ARG 39 HA ARG 39 87.644 -1.161 -5.577 156 1HB ARG 39 HB2 ARG 39 86.926 -2.763 -7.219 157 2HB ARG 39 HB1 ARG 39 87.615 -1.378 -8.051 158 1HG ARG 39 HG2 ARG 39 89.340 -2.563 -8.894 159 2HG ARG 39 HG1 ARG 39 89.464 -3.606 -7.479 160 1HD ARG 39 HD2 ARG 39 88.552 -5.172 -8.787 161 2HD ARG 39 HD1 ARG 39 87.037 -4.327 -8.487 162 HE ARG 39 HE ARG 39 88.642 -4.245 -10.922 163 1HH1 ARG 39 1HH1 ARG 39 85.859 -3.071 -9.165 164 2HH1 ARG 39 2HH1 ARG 39 85.073 -2.460 -10.580 165 1HH2 ARG 39 1HH2 ARG 39 87.607 -3.438 -12.776 166 2HH2 ARG 39 2HH2 ARG 39 86.061 -2.671 -12.629 167 H SER 40 HN SER 40 90.345 -1.827 -4.458 168 HA SER 40 HA SER 40 90.009 -3.538 -2.567 169 1HB SER 40 HB2 SER 40 90.264 -5.290 -5.008 170 2HB SER 40 HB1 SER 40 90.536 -5.873 -3.362 171 HG SER 40 HG SER 40 88.220 -5.544 -4.662 172 H LEU 41 HN LEU 41 92.006 -1.676 -3.722 173 HA LEU 41 HA LEU 41 94.336 -3.342 -3.083 174 1HB LEU 41 HB2 LEU 41 94.534 -1.029 -4.970 175 2HB LEU 41 HB1 LEU 41 95.681 -2.327 -4.711 176 HG LEU 41 HG LEU 41 93.016 -2.540 -6.101 177 1HD1 LEU 41 1HD1 LEU 41 95.394 -3.384 -7.527 178 2HD1 LEU 41 2HD1 LEU 41 95.453 -1.684 -7.062 179 3HD1 LEU 41 3HD1 LEU 41 94.102 -2.289 -8.021 180 1HD2 LEU 41 1HD2 LEU 41 94.373 -4.870 -6.581 181 2HD2 LEU 41 2HD2 LEU 41 93.051 -4.671 -5.431 182 3HD2 LEU 41 3HD2 LEU 41 94.723 -4.566 -4.879 183 H SER 42 HN SER 42 96.317 -1.750 -2.795 184 HA SER 42 HA SER 42 95.726 -0.304 -0.405 185 1HB SER 42 HB2 SER 42 98.219 0.318 -0.618 186 2HB SER 42 HB1 SER 42 97.824 -1.386 -0.408 187 HG SER 42 HG SER 42 99.372 -0.815 -2.133 188 H GLY 43 HN GLY 43 95.268 0.502 -3.566 189 1HA GLY 43 HA2 GLY 43 96.262 3.158 -3.623 190 2HA GLY 43 HA1 GLY 43 95.077 2.467 -4.711 191 H CYS 44 HN CYS 44 92.952 2.724 -4.346 192 HA CYS 44 HA CYS 44 91.035 3.631 -3.464 193 1HB CYS 44 HB2 CYS 44 92.070 2.424 -1.399 194 2HB CYS 44 HB1 CYS 44 92.399 4.064 -0.836 195 HA PRO 45 HA PRO 45 92.110 8.013 -3.679 196 1HB PRO 45 HB2 PRO 45 89.874 8.786 -4.985 197 2HB PRO 45 HB1 PRO 45 91.191 7.933 -5.777 198 1HG PRO 45 HG2 PRO 45 88.505 6.994 -5.151 199 2HG PRO 45 HG1 PRO 45 89.722 6.268 -6.209 200 1HD PRO 45 HD2 PRO 45 89.039 5.585 -3.456 201 2HD PRO 45 HD1 PRO 45 90.036 4.695 -4.621 202 H HIS 46 HN HIS 46 90.370 6.813 -1.340 203 HA HIS 46 HA HIS 46 88.766 9.214 -0.848 204 1HB HIS 46 HB2 HIS 46 88.595 6.608 0.642 205 2HB HIS 46 HB1 HIS 46 87.376 7.878 0.514 206 HD2 HIS 46 HD2 HIS 46 87.923 4.538 -0.850 207 HE1 HIS 46 HE1 HIS 46 86.142 6.608 -4.046 208 HE2 HIS 46 HE2 HIS 46 86.993 4.377 -3.246 209 H LYS 47 HN LYS 47 90.109 6.995 1.638 210 HA LYS 47 HA LYS 47 91.528 7.391 3.371 211 1HB LYS 47 HB2 LYS 47 92.585 8.941 1.289 212 2HB LYS 47 HB1 LYS 47 92.498 10.035 2.660 213 1HG LYS 47 HG2 LYS 47 93.825 8.530 3.999 214 2HG LYS 47 HG1 LYS 47 93.831 7.339 2.705 215 1HD LYS 47 HD2 LYS 47 94.795 10.035 1.999 216 2HD LYS 47 HD1 LYS 47 95.815 9.098 3.093 217 1HE LYS 47 HE2 LYS 47 96.597 8.543 0.960 218 2HE LYS 47 HE1 LYS 47 95.557 7.192 1.410 219 1HZ LYS 47 HZ1 LYS 47 93.849 7.976 0.017 220 2HZ LYS 47 HZ2 LYS 47 95.264 8.082 -0.902 221 3HZ LYS 47 HZ3 LYS 47 94.597 9.475 -0.213 222 H ASP 48 HN ASP 48 89.285 7.679 4.286 223 HA ASP 48 HA ASP 48 89.001 10.414 5.340 224 1HB ASP 48 HB2 ASP 48 87.110 8.899 3.958 225 2HB ASP 48 HB1 ASP 48 86.610 8.804 5.639 226 H ARG 49 HN ARG 49 89.856 7.272 6.138 227 HA ARG 49 HA ARG 49 90.306 6.287 8.121 228 1HB ARG 49 HB2 ARG 49 89.745 8.991 9.323 229 2HB ARG 49 HB1 ARG 49 90.599 7.678 10.109 230 1HG ARG 49 HG2 ARG 49 91.538 9.128 7.643 231 2HG ARG 49 HG1 ARG 49 92.101 9.433 9.285 232 1HD ARG 49 HD2 ARG 49 93.735 8.014 8.569 233 2HD ARG 49 HD1 ARG 49 92.598 6.851 9.227 234 HE ARG 49 HE ARG 49 91.908 6.331 6.998 235 1HH1 ARG 49 1HH1 ARG 49 94.709 8.416 7.169 236 2HH1 ARG 49 2HH1 ARG 49 95.274 7.977 5.597 237 1HH2 ARG 49 1HH2 ARG 49 92.663 5.755 4.944 238 2HH2 ARG 49 2HH2 ARG 49 94.129 6.450 4.345 239 H VAL 50 HN VAL 50 87.756 6.093 7.089 240 HA VAL 50 HA VAL 50 86.302 5.173 9.385 241 HB VAL 50 HB VAL 50 84.178 6.407 8.406 242 1HG1 VAL 50 1HG1 VAL 50 85.158 8.436 9.983 243 2HG1 VAL 50 2HG1 VAL 50 86.076 7.027 10.512 244 3HG1 VAL 50 3HG1 VAL 50 84.316 6.994 10.548 245 1HG2 VAL 50 1HG2 VAL 50 86.117 8.623 7.987 246 2HG2 VAL 50 2HG2 VAL 50 84.487 8.416 7.354 247 3HG2 VAL 50 3HG2 VAL 50 85.818 7.484 6.678 248 HA PRO 51 HA PRO 51 84.572 2.027 6.825 249 1HB PRO 51 HB2 PRO 51 81.963 3.501 6.765 250 2HB PRO 51 HB1 PRO 51 82.276 1.781 7.013 251 1HG PRO 51 HG2 PRO 51 81.763 3.376 9.083 252 2HG PRO 51 HG1 PRO 51 82.970 2.083 9.204 253 1HD PRO 51 HD2 PRO 51 83.356 5.015 9.031 254 2HD PRO 51 HD1 PRO 51 84.392 3.782 9.774 255 HA PRO 52 HA PRO 52 83.268 4.361 2.894 256 1HB PRO 52 HB2 PRO 52 82.599 6.927 2.887 257 2HB PRO 52 HB1 PRO 52 81.493 5.703 3.523 258 1HG PRO 52 HG2 PRO 52 83.304 7.570 5.003 259 2HG PRO 52 HG1 PRO 52 81.631 7.112 5.368 260 1HD PRO 52 HD2 PRO 52 83.872 6.009 6.558 261 2HD PRO 52 HD1 PRO 52 82.278 5.239 6.492 262 H GLU 53 HN GLU 53 85.599 3.983 2.573 263 HA GLU 53 HA GLU 53 86.815 5.916 1.100 264 1HB GLU 53 HB2 GLU 53 88.746 6.460 2.768 265 2HB GLU 53 HB1 GLU 53 87.261 7.392 2.812 266 1HG GLU 53 HG2 GLU 53 87.243 6.966 4.995 267 2HG GLU 53 HG1 GLU 53 86.740 5.341 4.558 268 H ILE 54 HN ILE 54 88.939 4.571 3.371 269 HA ILE 54 HA ILE 54 89.622 2.340 1.589 270 HB ILE 54 HB ILE 54 91.777 3.339 3.336 271 1HG1 ILE 54 2HG1 ILE 54 90.942 4.974 0.934 272 2HG1 ILE 54 1HG1 ILE 54 90.828 5.485 2.605 273 1HG2 ILE 54 1HG2 ILE 54 92.572 1.730 1.967 274 2HG2 ILE 54 2HG2 ILE 54 92.900 3.125 0.944 275 3HG2 ILE 54 3HG2 ILE 54 91.473 2.136 0.655 276 1HD1 ILE 54 1HD1 ILE 54 93.355 4.861 1.110 277 2HD1 ILE 54 2HD1 ILE 54 93.259 5.338 2.804 278 3HD1 ILE 54 3HD1 ILE 54 92.757 6.462 1.540 279 H LEU 55 HN LEU 55 88.545 3.331 4.574 280 HA LEU 55 HA LEU 55 88.527 2.440 6.699 281 1HB LEU 55 HB2 LEU 55 87.452 0.316 6.769 282 2HB LEU 55 HB1 LEU 55 86.834 1.191 5.379 283 HG LEU 55 HG LEU 55 89.123 -0.578 4.821 284 1HD1 LEU 55 1HD1 LEU 55 86.623 -2.081 4.922 285 2HD1 LEU 55 2HD1 LEU 55 87.261 -1.643 6.504 286 3HD1 LEU 55 3HD1 LEU 55 88.255 -2.559 5.374 287 1HD2 LEU 55 1HD2 LEU 55 88.310 0.124 2.851 288 2HD2 LEU 55 2HD2 LEU 55 86.716 0.473 3.515 289 3HD2 LEU 55 3HD2 LEU 55 87.148 -1.176 3.076 290 H ALA 56 HN ALA 56 91.219 2.500 5.620 291 HA ALA 56 HA ALA 56 93.271 1.894 6.441 292 1HB ALA 56 HB1 ALA 56 93.291 1.053 8.490 293 2HB ALA 56 HB2 ALA 56 92.707 -0.503 7.907 294 3HB ALA 56 HB3 ALA 56 91.562 0.757 8.351 295 H MET 57 HN MET 57 91.104 -0.533 5.148 296 HA MET 57 HA MET 57 91.448 -2.028 3.447 297 1HB MET 57 HB2 MET 57 93.654 -0.351 3.162 298 2HB MET 57 HB1 MET 57 94.355 -1.958 3.282 299 1HG MET 57 HG2 MET 57 92.185 -2.202 1.534 300 2HG MET 57 HG1 MET 57 93.005 -0.707 1.082 301 1HE MET 57 HE1 MET 57 95.017 -3.766 2.709 302 2HE MET 57 HE2 MET 57 95.079 -4.820 1.297 303 3HE MET 57 HE3 MET 57 93.525 -4.412 2.025 304 H HIS 58 HN HIS 58 94.507 -2.251 5.259 305 HA HIS 58 HA HIS 58 93.750 -4.999 5.997 306 1HB HIS 58 HB2 HIS 58 95.995 -4.177 4.652 307 2HB HIS 58 HB1 HIS 58 96.575 -4.253 6.312 308 HD2 HIS 58 HD2 HIS 58 97.587 -6.427 4.075 309 HE1 HIS 58 HE1 HIS 58 95.129 -9.081 6.274 310 HE2 HIS 58 HE2 HIS 58 96.932 -8.901 4.501 311 H GLU 59 HN GLU 59 92.985 -2.548 7.389 312 HA GLU 59 HA GLU 59 93.958 -3.294 10.032 313 1HB GLU 59 HB2 GLU 59 94.487 -0.703 8.686 314 2HB GLU 59 HB1 GLU 59 93.997 -0.624 10.373 315 1HG GLU 59 HG2 GLU 59 96.027 -1.184 11.040 316 2HG GLU 59 HG1 GLU 59 96.003 -2.638 10.043 317 H ASN 60 HN ASN 60 92.705 -1.866 11.724 318 HA ASN 60 HA ASN 60 89.907 -2.256 11.148 319 1HB ASN 60 HB2 ASN 60 91.080 -2.744 13.373 320 2HB ASN 60 HB1 ASN 60 91.046 -1.005 13.642 321 1HD2 ASN 60 1HD2 ASN 60 89.510 -3.774 14.338 322 2HD2 ASN 60 2HD2 ASN 60 87.905 -3.174 14.619 323 H VAL 61 HN VAL 61 89.703 -0.659 9.446 324 HA VAL 61 HA VAL 61 89.089 1.381 8.623 325 HB VAL 61 HB VAL 61 88.522 2.310 11.420 326 1HG1 VAL 61 1HG1 VAL 61 86.515 3.275 10.223 327 2HG1 VAL 61 2HG1 VAL 61 87.298 2.793 8.720 328 3HG1 VAL 61 3HG1 VAL 61 88.081 3.956 9.788 329 1HG2 VAL 61 1HG2 VAL 61 86.481 1.122 11.529 330 2HG2 VAL 61 2HG2 VAL 61 87.718 -0.063 11.114 331 3HG2 VAL 61 3HG2 VAL 61 86.636 0.559 9.866 332 H LEU 62 HN LEU 62 89.617 3.773 8.699 333 HA LEU 62 HA LEU 62 91.323 5.281 8.513 334 1HB LEU 62 HB2 LEU 62 92.142 6.042 10.746 335 2HB LEU 62 HB1 LEU 62 90.400 5.910 10.624 336 HG LEU 62 HG LEU 62 91.820 3.562 11.734 337 1HD1 LEU 62 1HD1 LEU 62 92.087 4.521 13.912 338 2HD1 LEU 62 2HD1 LEU 62 91.446 6.067 13.354 339 3HD1 LEU 62 3HD1 LEU 62 92.996 5.484 12.748 340 1HD2 LEU 62 1HD2 LEU 62 89.840 3.170 12.783 341 2HD2 LEU 62 2HD2 LEU 62 89.243 4.134 11.433 342 3HD2 LEU 62 3HD2 LEU 62 89.494 4.885 13.007 343 H LYS 63 HN LYS 63 93.412 4.532 11.028 344 HA LYS 63 HA LYS 63 94.982 2.570 9.602 345 1HB LYS 63 HB2 LYS 63 95.512 5.389 9.346 346 2HB LYS 63 HB1 LYS 63 96.858 4.600 10.158 347 1HG LYS 63 HG2 LYS 63 97.056 3.018 8.323 348 2HG LYS 63 HG1 LYS 63 95.682 3.772 7.513 349 1HD LYS 63 HD2 LYS 63 97.647 5.757 8.211 350 2HD LYS 63 HD1 LYS 63 98.395 4.455 7.284 351 1HE LYS 63 HE2 LYS 63 97.075 4.837 5.430 352 2HE LYS 63 HE1 LYS 63 95.802 5.618 6.369 353 1HZ LYS 63 HZ1 LYS 63 97.299 7.509 6.704 354 2HZ LYS 63 HZ2 LYS 63 96.987 7.240 5.065 355 3HZ LYS 63 HZ3 LYS 63 98.465 6.766 5.732 Start of MODEL 20 1 H ARG 16 HN ARG 16 91.104 -11.367 -6.580 2 HA ARG 16 HA ARG 16 92.810 -12.787 -4.824 3 1HB ARG 16 HB2 ARG 16 93.967 -10.528 -4.990 4 2HB ARG 16 HB1 ARG 16 92.572 -9.859 -4.153 5 1HG ARG 16 HG2 ARG 16 93.034 -11.048 -2.190 6 2HG ARG 16 HG1 ARG 16 94.146 -12.143 -3.015 7 1HD ARG 16 HD2 ARG 16 95.454 -9.920 -3.514 8 2HD ARG 16 HD1 ARG 16 94.561 -9.329 -2.112 9 HE ARG 16 HE ARG 16 96.787 -11.090 -2.089 10 1HH1 ARG 16 1HH1 ARG 16 93.778 -10.418 -0.453 11 2HH1 ARG 16 2HH1 ARG 16 94.298 -11.105 1.050 12 1HH2 ARG 16 1HH2 ARG 16 97.473 -11.991 -0.114 13 2HH2 ARG 16 2HH2 ARG 16 96.395 -11.998 1.243 14 H GLU 17 HN GLU 17 91.870 -13.135 -2.749 15 HA GLU 17 HA GLU 17 89.084 -13.335 -2.752 16 1HB GLU 17 HB2 GLU 17 91.229 -13.702 -0.728 17 2HB GLU 17 HB1 GLU 17 89.584 -13.535 -0.130 18 1HG GLU 17 HG2 GLU 17 90.059 -15.854 -0.379 19 2HG GLU 17 HG1 GLU 17 88.910 -15.391 -1.633 20 H SER 18 HN SER 18 90.624 -11.592 -0.088 21 HA SER 18 HA SER 18 88.432 -9.705 -0.057 22 1HB SER 18 HB2 SER 18 90.006 -10.820 1.907 23 2HB SER 18 HB1 SER 18 90.650 -9.182 1.786 24 HG SER 18 HG SER 18 88.349 -8.526 1.908 25 H LYS 19 HN LYS 19 88.665 -7.421 -0.113 26 HA LYS 19 HA LYS 19 91.157 -6.366 -1.194 27 1HB LYS 19 HB2 LYS 19 88.518 -5.601 -2.426 28 2HB LYS 19 HB1 LYS 19 90.133 -5.286 -3.033 29 1HG LYS 19 HG2 LYS 19 89.047 -8.074 -2.798 30 2HG LYS 19 HG1 LYS 19 88.754 -7.064 -4.214 31 1HD LYS 19 HD2 LYS 19 91.385 -6.757 -4.059 32 2HD LYS 19 HD1 LYS 19 91.268 -8.325 -3.263 33 1HE LYS 19 HE2 LYS 19 90.311 -9.332 -5.159 34 2HE LYS 19 HE1 LYS 19 89.936 -7.776 -5.897 35 1HZ LYS 19 HZ1 LYS 19 92.745 -8.273 -5.363 36 2HZ LYS 19 HZ2 LYS 19 92.006 -7.568 -6.711 37 3HZ LYS 19 HZ3 LYS 19 92.048 -9.251 -6.554 38 H CYS 20 HN CYS 20 90.536 -3.821 -1.622 39 HA CYS 20 HA CYS 20 90.047 -2.806 1.024 40 1HB CYS 20 HB2 CYS 20 91.819 -1.834 -0.391 41 2HB CYS 20 HB1 CYS 20 90.594 -1.306 -1.546 42 HA PRO 21 HA PRO 21 86.374 -0.713 -1.536 43 1HB PRO 21 HB2 PRO 21 85.256 -2.730 -3.147 44 2HB PRO 21 HB1 PRO 21 86.088 -1.282 -3.707 45 1HG PRO 21 HG2 PRO 21 87.096 -4.054 -3.423 46 2HG PRO 21 HG1 PRO 21 87.568 -2.795 -4.577 47 1HD PRO 21 HD2 PRO 21 89.119 -3.499 -2.501 48 2HD PRO 21 HD1 PRO 21 89.066 -1.835 -3.105 49 H THR 22 HN THR 22 86.245 -1.392 0.818 50 HA THR 22 HA THR 22 84.389 -3.593 1.281 51 HB THR 22 HB THR 22 85.021 -3.166 3.625 52 HG1 THR 22 HG1 THR 22 86.818 -1.234 2.666 53 1HG2 THR 22 1HG2 THR 22 87.709 -3.102 2.626 54 2HG2 THR 22 2HG2 THR 22 86.699 -4.218 1.707 55 3HG2 THR 22 3HG2 THR 22 86.846 -4.399 3.455 56 HA PRO 23 HA PRO 23 80.786 -1.146 2.255 57 1HB PRO 23 HB2 PRO 23 80.788 -1.058 5.082 58 2HB PRO 23 HB1 PRO 23 79.904 -2.194 4.063 59 1HG PRO 23 HG2 PRO 23 82.498 -2.537 5.473 60 2HG PRO 23 HG1 PRO 23 81.245 -3.737 5.113 61 1HD PRO 23 HD2 PRO 23 83.538 -3.678 3.744 62 2HD PRO 23 HD1 PRO 23 82.005 -4.059 2.941 63 H GLY 24 HN GLY 24 83.833 -0.454 3.775 64 1HA GLY 24 HA2 GLY 24 83.087 2.342 4.234 65 2HA GLY 24 HA1 GLY 24 84.508 1.537 4.879 66 H CYS 25 HN CYS 25 83.792 1.002 1.543 67 HA CYS 25 HA CYS 25 85.218 3.224 0.487 68 1HB CYS 25 HB2 CYS 25 87.109 1.906 1.351 69 2HB CYS 25 HB1 CYS 25 86.594 0.538 0.359 70 H ASP 26 HN ASP 26 85.409 3.181 -1.870 71 HA ASP 26 HA ASP 26 83.267 1.570 -3.046 72 1HB ASP 26 HB2 ASP 26 83.290 4.059 -3.348 73 2HB ASP 26 HB1 ASP 26 84.790 3.892 -4.254 74 H GLY 27 HN GLY 27 86.672 2.443 -3.513 75 1HA GLY 27 HA2 GLY 27 88.403 1.150 -4.351 76 2HA GLY 27 HA1 GLY 27 87.267 -0.154 -4.569 77 H THR 28 HN THR 28 87.056 3.047 -5.893 78 HA THR 28 HA THR 28 87.735 2.095 -8.503 79 HB THR 28 HB THR 28 85.163 2.021 -7.759 80 HG1 THR 28 HG1 THR 28 85.693 2.831 -10.391 81 1HG2 THR 28 1HG2 THR 28 85.051 4.490 -9.393 82 2HG2 THR 28 2HG2 THR 28 85.275 4.632 -7.650 83 3HG2 THR 28 3HG2 THR 28 83.859 3.800 -8.292 84 H GLY 29 HN GLY 29 89.304 3.741 -7.039 85 1HA GLY 29 HA2 GLY 29 89.632 5.973 -8.732 86 2HA GLY 29 HA1 GLY 29 88.837 6.491 -7.253 87 H HIS 30 HN HIS 30 91.403 4.138 -7.881 88 HA HIS 30 HA HIS 30 93.075 3.843 -6.061 89 1HB HIS 30 HB2 HIS 30 93.428 4.069 -8.641 90 2HB HIS 30 HB1 HIS 30 94.414 5.422 -8.177 91 HD2 HIS 30 HD2 HIS 30 94.300 1.539 -7.851 92 HE1 HIS 30 HE1 HIS 30 98.239 2.882 -7.128 93 HE2 HIS 30 HE2 HIS 30 96.734 0.855 -7.288 94 H VAL 31 HN VAL 31 95.269 5.023 -5.553 95 HA VAL 31 HA VAL 31 94.735 6.948 -3.616 96 HB VAL 31 HB VAL 31 96.786 5.547 -3.692 97 1HG1 VAL 31 1HG1 VAL 31 98.630 6.048 -5.059 98 2HG1 VAL 31 2HG1 VAL 31 97.933 7.581 -5.579 99 3HG1 VAL 31 3HG1 VAL 31 97.236 6.061 -6.139 100 1HG2 VAL 31 1HG2 VAL 31 97.525 8.450 -3.483 101 2HG2 VAL 31 2HG2 VAL 31 98.139 7.088 -2.545 102 3HG2 VAL 31 3HG2 VAL 31 96.487 7.654 -2.300 103 H THR 32 HN THR 32 95.301 7.528 -7.024 104 HA THR 32 HA THR 32 95.154 10.402 -6.457 105 HB THR 32 HB THR 32 96.606 10.855 -8.303 106 HG1 THR 32 HG1 THR 32 96.242 8.125 -8.874 107 1HG2 THR 32 1HG2 THR 32 98.605 10.210 -7.491 108 2HG2 THR 32 2HG2 THR 32 98.118 8.524 -7.315 109 3HG2 THR 32 3HG2 THR 32 97.615 9.719 -6.117 110 H GLY 33 HN GLY 33 93.617 7.755 -7.713 111 1HA GLY 33 HA2 GLY 33 91.722 7.529 -8.972 112 2HA GLY 33 HA1 GLY 33 91.635 9.283 -9.009 113 H LEU 34 HN LEU 34 94.630 8.084 -9.891 114 HA LEU 34 HA LEU 34 94.112 8.706 -12.688 115 1HB LEU 34 HB2 LEU 34 96.770 8.372 -11.325 116 2HB LEU 34 HB1 LEU 34 96.478 9.018 -12.933 117 HG LEU 34 HG LEU 34 95.298 10.283 -10.507 118 1HD1 LEU 34 1HD1 LEU 34 97.174 11.542 -10.066 119 2HD1 LEU 34 2HD1 LEU 34 97.803 11.370 -11.704 120 3HD1 LEU 34 3HD1 LEU 34 97.926 10.028 -10.568 121 1HD2 LEU 34 1HD2 LEU 34 94.278 11.123 -12.420 122 2HD2 LEU 34 2HD2 LEU 34 95.778 11.107 -13.344 123 3HD2 LEU 34 3HD2 LEU 34 95.537 12.309 -12.077 124 H TYR 35 HN TYR 35 94.005 6.170 -10.746 125 HA TYR 35 HA TYR 35 95.182 4.326 -12.712 126 1HB TYR 35 HB2 TYR 35 94.558 3.698 -9.843 127 2HB TYR 35 HB1 TYR 35 95.422 2.674 -10.969 128 HD1 TYR 35 HD1 TYR 35 95.708 6.189 -9.806 129 HD2 TYR 35 HD2 TYR 35 97.676 2.499 -10.458 130 HE1 TYR 35 HE1 TYR 35 97.821 7.190 -9.031 131 HE2 TYR 35 HE2 TYR 35 99.794 3.479 -9.703 132 HH TYR 35 HH TYR 35 100.838 5.633 -9.444 133 HA PRO 36 HA PRO 36 91.087 2.857 -13.438 134 1HB PRO 36 HB2 PRO 36 91.450 0.217 -13.929 135 2HB PRO 36 HB1 PRO 36 91.941 1.472 -15.073 136 1HG PRO 36 HG2 PRO 36 93.599 -0.067 -13.117 137 2HG PRO 36 HG1 PRO 36 93.978 0.400 -14.784 138 1HD PRO 36 HD2 PRO 36 94.926 1.726 -12.596 139 2HD PRO 36 HD1 PRO 36 94.660 2.503 -14.168 140 H HIS 37 HN HIS 37 91.514 3.229 -10.726 141 HA HIS 37 HA HIS 37 90.273 2.702 -8.853 142 1HB HIS 37 HB2 HIS 37 90.036 -0.167 -9.713 143 2HB HIS 37 HB1 HIS 37 89.033 0.730 -8.587 144 HD2 HIS 37 HD2 HIS 37 88.198 3.203 -10.559 145 HE1 HIS 37 HE1 HIS 37 86.766 0.100 -13.055 146 HE2 HIS 37 HE2 HIS 37 86.782 2.603 -12.648 147 H HIS 38 HN HIS 38 90.580 0.752 -7.171 148 HA HIS 38 HA HIS 38 93.420 0.014 -7.241 149 1HB HIS 38 HB2 HIS 38 93.621 0.479 -4.807 150 2HB HIS 38 HB1 HIS 38 93.402 1.911 -5.797 151 HD1 HIS 38 HD1 HIS 38 91.250 3.279 -5.424 152 HD2 HIS 38 HD2 HIS 38 91.578 -0.107 -3.048 153 HE1 HIS 38 HE1 HIS 38 89.500 3.519 -3.599 154 H ARG 39 HN ARG 39 93.697 -2.039 -7.098 155 HA ARG 39 HA ARG 39 91.732 -3.928 -6.773 156 1HB ARG 39 HB2 ARG 39 93.557 -5.554 -6.427 157 2HB ARG 39 HB1 ARG 39 93.871 -4.459 -7.766 158 1HG ARG 39 HG2 ARG 39 95.755 -3.749 -6.846 159 2HG ARG 39 HG1 ARG 39 94.952 -3.406 -5.314 160 1HD ARG 39 HD2 ARG 39 95.496 -5.432 -4.414 161 2HD ARG 39 HD1 ARG 39 95.504 -6.246 -5.979 162 HE ARG 39 HE ARG 39 97.638 -4.338 -5.591 163 1HH1 ARG 39 1HH1 ARG 39 96.640 -7.669 -5.250 164 2HH1 ARG 39 2HH1 ARG 39 98.259 -8.282 -5.247 165 1HH2 ARG 39 1HH2 ARG 39 99.764 -5.146 -5.585 166 2HH2 ARG 39 2HH2 ARG 39 100.033 -6.851 -5.436 167 H SER 40 HN SER 40 93.623 -2.327 -4.299 168 HA SER 40 HA SER 40 91.958 -2.608 -2.209 169 1HB SER 40 HB2 SER 40 91.831 -4.958 -2.200 170 2HB SER 40 HB1 SER 40 93.548 -5.140 -2.551 171 HG SER 40 HG SER 40 93.346 -5.570 -0.414 172 H LEU 41 HN LEU 41 93.038 -0.653 -1.689 173 HA LEU 41 HA LEU 41 94.442 0.534 -0.350 174 1HB LEU 41 HB2 LEU 41 96.165 -1.883 0.071 175 2HB LEU 41 HB1 LEU 41 95.931 -0.505 1.130 176 HG LEU 41 HG LEU 41 93.595 -2.269 0.541 177 1HD1 LEU 41 1HD1 LEU 41 95.549 -2.889 2.736 178 2HD1 LEU 41 2HD1 LEU 41 95.603 -3.695 1.169 179 3HD1 LEU 41 3HD1 LEU 41 94.173 -3.847 2.188 180 1HD2 LEU 41 1HD2 LEU 41 94.170 -1.248 3.228 181 2HD2 LEU 41 2HD2 LEU 41 92.667 -1.256 2.306 182 3HD2 LEU 41 3HD2 LEU 41 93.886 -0.020 1.995 183 H SER 42 HN SER 42 95.708 -1.517 -2.867 184 HA SER 42 HA SER 42 98.276 -0.588 -3.193 185 1HB SER 42 HB2 SER 42 96.583 -2.188 -4.655 186 2HB SER 42 HB1 SER 42 96.792 -0.801 -5.724 187 HG SER 42 HG SER 42 98.912 -1.208 -5.868 188 H GLY 43 HN GLY 43 95.292 1.085 -3.651 189 1HA GLY 43 HA2 GLY 43 96.769 3.458 -4.509 190 2HA GLY 43 HA1 GLY 43 95.268 3.009 -5.288 191 H CYS 44 HN CYS 44 93.362 3.128 -4.188 192 HA CYS 44 HA CYS 44 91.845 4.362 -2.956 193 1HB CYS 44 HB2 CYS 44 92.872 2.417 -1.445 194 2HB CYS 44 HB1 CYS 44 93.409 3.792 -0.485 195 HA PRO 45 HA PRO 45 94.003 8.308 -2.111 196 1HB PRO 45 HB2 PRO 45 92.473 9.858 -3.527 197 2HB PRO 45 HB1 PRO 45 93.305 8.552 -4.380 198 1HG PRO 45 HG2 PRO 45 90.467 8.652 -3.415 199 2HG PRO 45 HG1 PRO 45 91.082 8.136 -4.993 200 1HD PRO 45 HD2 PRO 45 90.515 6.444 -2.828 201 2HD PRO 45 HD1 PRO 45 91.511 6.012 -4.231 202 H HIS 46 HN HIS 46 91.043 7.143 -1.062 203 HA HIS 46 HA HIS 46 89.722 9.430 -0.174 204 1HB HIS 46 HB2 HIS 46 89.531 6.706 1.086 205 2HB HIS 46 HB1 HIS 46 88.309 7.953 1.010 206 HD2 HIS 46 HD2 HIS 46 88.925 4.735 -0.561 207 HE1 HIS 46 HE1 HIS 46 86.897 6.975 -3.492 208 HE2 HIS 46 HE2 HIS 46 87.760 4.688 -2.865 209 H LYS 47 HN LYS 47 90.925 7.056 2.150 210 HA LYS 47 HA LYS 47 91.817 7.221 4.207 211 1HB LYS 47 HB2 LYS 47 93.735 8.574 4.503 212 2HB LYS 47 HB1 LYS 47 93.730 8.056 2.828 213 1HG LYS 47 HG2 LYS 47 93.517 10.155 2.042 214 2HG LYS 47 HG1 LYS 47 92.469 10.666 3.362 215 1HD LYS 47 HD2 LYS 47 94.296 11.024 4.810 216 2HD LYS 47 HD1 LYS 47 95.404 10.140 3.757 217 1HE LYS 47 HE2 LYS 47 95.484 11.874 2.193 218 2HE LYS 47 HE1 LYS 47 94.015 12.624 2.812 219 1HZ LYS 47 HZ1 LYS 47 95.125 13.569 4.563 220 2HZ LYS 47 HZ2 LYS 47 96.322 13.632 3.370 221 3HZ LYS 47 HZ3 LYS 47 96.372 12.426 4.555 222 H ASP 48 HN ASP 48 89.346 7.958 4.492 223 HA ASP 48 HA ASP 48 89.484 10.429 6.116 224 1HB ASP 48 HB2 ASP 48 87.868 10.123 3.933 225 2HB ASP 48 HB1 ASP 48 86.794 9.627 5.240 226 H ARG 49 HN ARG 49 89.047 7.127 6.115 227 HA ARG 49 HA ARG 49 88.266 5.592 7.594 228 1HB ARG 49 HB2 ARG 49 90.205 6.570 8.758 229 2HB ARG 49 HB1 ARG 49 89.121 7.677 9.591 230 1HG ARG 49 HG2 ARG 49 87.950 5.348 10.222 231 2HG ARG 49 HG1 ARG 49 89.616 4.805 10.037 232 1HD ARG 49 HD2 ARG 49 89.348 5.401 12.314 233 2HD ARG 49 HD1 ARG 49 90.289 6.686 11.559 234 HE ARG 49 HE ARG 49 87.394 7.030 11.813 235 1HH1 ARG 49 1HH1 ARG 49 90.614 7.927 12.839 236 2HH1 ARG 49 2HH1 ARG 49 90.091 9.383 13.614 237 1HH2 ARG 49 1HH2 ARG 49 86.714 8.942 12.831 238 2HH2 ARG 49 2HH2 ARG 49 87.878 9.959 13.612 239 H VAL 50 HN VAL 50 86.034 6.859 6.663 240 HA VAL 50 HA VAL 50 84.229 6.454 8.853 241 HB VAL 50 HB VAL 50 84.102 9.208 7.608 242 1HG1 VAL 50 1HG1 VAL 50 81.948 8.582 8.243 243 2HG1 VAL 50 2HG1 VAL 50 82.544 9.531 9.604 244 3HG1 VAL 50 3HG1 VAL 50 82.514 7.770 9.701 245 1HG2 VAL 50 1HG2 VAL 50 84.798 10.058 9.809 246 2HG2 VAL 50 2HG2 VAL 50 86.059 9.106 9.034 247 3HG2 VAL 50 3HG2 VAL 50 85.102 8.404 10.336 248 HA PRO 51 HA PRO 51 81.824 6.660 4.778 249 1HB PRO 51 HB2 PRO 51 82.764 8.361 2.812 250 2HB PRO 51 HB1 PRO 51 81.700 8.865 4.125 251 1HG PRO 51 HG2 PRO 51 84.410 9.644 3.659 252 2HG PRO 51 HG1 PRO 51 83.364 10.111 5.009 253 1HD PRO 51 HD2 PRO 51 85.423 7.974 4.864 254 2HD PRO 51 HD1 PRO 51 84.881 8.924 6.256 255 HA PRO 52 HA PRO 52 83.752 3.928 1.810 256 1HB PRO 52 HB2 PRO 52 83.534 5.115 -0.691 257 2HB PRO 52 HB1 PRO 52 82.294 4.114 0.068 258 1HG PRO 52 HG2 PRO 52 82.514 7.088 -0.063 259 2HG PRO 52 HG1 PRO 52 81.073 6.060 -0.181 260 1HD PRO 52 HD2 PRO 52 81.641 7.399 2.060 261 2HD PRO 52 HD1 PRO 52 80.937 5.775 2.119 262 H GLU 53 HN GLU 53 85.802 4.634 2.895 263 HA GLU 53 HA GLU 53 87.540 6.029 1.062 264 1HB GLU 53 HB2 GLU 53 87.411 6.215 4.048 265 2HB GLU 53 HB1 GLU 53 88.830 6.720 3.152 266 1HG GLU 53 HG2 GLU 53 86.728 8.305 3.858 267 2HG GLU 53 HG1 GLU 53 87.926 8.679 2.635 268 H ILE 54 HN ILE 54 88.993 4.920 3.912 269 HA ILE 54 HA ILE 54 89.821 2.372 2.751 270 HB ILE 54 HB ILE 54 92.100 3.578 4.050 271 1HG1 ILE 54 2HG1 ILE 54 91.063 5.063 1.619 272 2HG1 ILE 54 1HG1 ILE 54 91.214 5.699 3.253 273 1HG2 ILE 54 1HG2 ILE 54 91.463 2.038 1.659 274 2HG2 ILE 54 2HG2 ILE 54 92.836 1.923 2.752 275 3HG2 ILE 54 3HG2 ILE 54 92.836 3.124 1.465 276 1HD1 ILE 54 1HD1 ILE 54 93.661 5.328 3.106 277 2HD1 ILE 54 2HD1 ILE 54 93.036 6.497 1.946 278 3HD1 ILE 54 3HD1 ILE 54 93.441 4.865 1.419 279 H LEU 55 HN LEU 55 88.307 3.689 5.152 280 HA LEU 55 HA LEU 55 89.518 3.242 7.546 281 1HB LEU 55 HB2 LEU 55 87.292 2.716 8.476 282 2HB LEU 55 HB1 LEU 55 87.290 4.131 7.446 283 HG LEU 55 HG LEU 55 86.662 1.952 5.773 284 1HD1 LEU 55 1HD1 LEU 55 85.298 1.832 8.441 285 2HD1 LEU 55 2HD1 LEU 55 86.039 0.525 7.517 286 3HD1 LEU 55 3HD1 LEU 55 84.524 1.242 6.971 287 1HD2 LEU 55 1HD2 LEU 55 85.227 3.479 5.050 288 2HD2 LEU 55 2HD2 LEU 55 85.731 4.526 6.374 289 3HD2 LEU 55 3HD2 LEU 55 84.349 3.450 6.576 290 H ALA 56 HN ALA 56 88.235 0.871 5.393 291 HA ALA 56 HA ALA 56 88.789 -1.293 7.202 292 1HB ALA 56 HB1 ALA 56 87.934 -1.919 4.460 293 2HB ALA 56 HB2 ALA 56 86.798 -0.983 5.432 294 3HB ALA 56 HB3 ALA 56 87.360 -2.556 6.001 295 H MET 57 HN MET 57 91.091 0.034 6.548 296 HA MET 57 HA MET 57 92.455 -1.004 4.307 297 1HB MET 57 HB2 MET 57 93.131 0.572 6.690 298 2HB MET 57 HB1 MET 57 94.449 -0.434 6.111 299 1HG MET 57 HG2 MET 57 93.819 0.614 3.790 300 2HG MET 57 HG1 MET 57 93.101 1.869 4.797 301 1HE MET 57 HE1 MET 57 96.585 3.270 3.449 302 2HE MET 57 HE2 MET 57 94.856 3.611 3.529 303 3HE MET 57 HE3 MET 57 95.439 2.203 2.638 304 H HIS 58 HN HIS 58 93.338 -1.665 7.673 305 HA HIS 58 HA HIS 58 93.062 -4.468 7.532 306 1HB HIS 58 HB2 HIS 58 95.114 -3.878 5.996 307 2HB HIS 58 HB1 HIS 58 95.961 -3.703 7.528 308 HD2 HIS 58 HD2 HIS 58 93.454 -6.566 6.469 309 HE1 HIS 58 HE1 HIS 58 97.174 -8.218 7.629 310 HE2 HIS 58 HE2 HIS 58 94.869 -8.727 6.704 311 H GLU 59 HN GLU 59 95.591 -2.346 8.877 312 HA GLU 59 HA GLU 59 94.605 -3.041 11.564 313 1HB GLU 59 HB2 GLU 59 97.135 -3.566 10.444 314 2HB GLU 59 HB1 GLU 59 97.377 -2.253 11.588 315 1HG GLU 59 HG2 GLU 59 95.989 -4.837 12.251 316 2HG GLU 59 HG1 GLU 59 97.700 -4.522 12.539 317 H ASN 60 HN ASN 60 95.770 -0.548 9.419 318 HA ASN 60 HA ASN 60 95.620 1.447 11.554 319 1HB ASN 60 HB2 ASN 60 97.410 1.151 9.489 320 2HB ASN 60 HB1 ASN 60 96.323 2.388 8.862 321 1HD2 ASN 60 1HD2 ASN 60 99.134 2.025 10.343 322 2HD2 ASN 60 2HD2 ASN 60 99.182 3.463 11.315 323 H VAL 61 HN VAL 61 94.944 3.697 10.223 324 HA VAL 61 HA VAL 61 92.357 3.220 8.933 325 HB VAL 61 HB VAL 61 91.415 5.115 10.356 326 1HG1 VAL 61 1HG1 VAL 61 91.344 3.348 12.413 327 2HG1 VAL 61 2HG1 VAL 61 91.834 2.301 11.081 328 3HG1 VAL 61 3HG1 VAL 61 90.342 3.234 10.967 329 1HG2 VAL 61 1HG2 VAL 61 93.615 5.823 11.262 330 2HG2 VAL 61 2HG2 VAL 61 93.666 4.329 12.198 331 3HG2 VAL 61 3HG2 VAL 61 92.404 5.521 12.510 332 H LEU 62 HN LEU 62 91.571 5.032 7.698 333 HA LEU 62 HA LEU 62 92.089 6.491 5.982 334 1HB LEU 62 HB2 LEU 62 92.294 8.748 6.787 335 2HB LEU 62 HB1 LEU 62 91.192 7.859 7.816 336 HG LEU 62 HG LEU 62 93.780 7.650 8.972 337 1HD1 LEU 62 1HD1 LEU 62 94.787 9.616 8.770 338 2HD1 LEU 62 2HD1 LEU 62 93.294 10.493 9.110 339 3HD1 LEU 62 3HD1 LEU 62 93.660 9.979 7.464 340 1HD2 LEU 62 1HD2 LEU 62 92.447 9.325 10.602 341 2HD2 LEU 62 2HD2 LEU 62 92.167 7.586 10.548 342 3HD2 LEU 62 3HD2 LEU 62 91.105 8.677 9.659 343 H LYS 63 HN LYS 63 93.847 5.431 4.992 344 HA LYS 63 HA LYS 63 95.916 5.382 4.044 345 1HB LYS 63 HB2 LYS 63 95.553 8.092 4.804 346 2HB LYS 63 HB1 LYS 63 97.202 7.653 5.227 347 1HG LYS 63 HG2 LYS 63 96.590 6.648 2.621 348 2HG LYS 63 HG1 LYS 63 96.190 8.364 2.705 349 1HD LYS 63 HD2 LYS 63 98.413 8.906 3.431 350 2HD LYS 63 HD1 LYS 63 98.828 7.199 3.588 351 1HE LYS 63 HE2 LYS 63 98.078 7.225 1.021 352 2HE LYS 63 HE1 LYS 63 98.620 8.897 1.170 353 1HZ LYS 63 HZ1 LYS 63 100.639 7.641 2.335 354 2HZ LYS 63 HZ2 LYS 63 100.592 7.960 0.673 355 3HZ LYS 63 HZ3 LYS 63 100.160 6.431 1.254 Start of MODEL 21 1 H ARG 16 HN ARG 16 101.301 -9.204 -3.507 2 HA ARG 16 HA ARG 16 98.696 -10.155 -3.690 3 1HB ARG 16 HB2 ARG 16 100.979 -11.324 -2.087 4 2HB ARG 16 HB1 ARG 16 99.533 -12.188 -2.594 5 1HG ARG 16 HG2 ARG 16 100.261 -11.516 -4.983 6 2HG ARG 16 HG1 ARG 16 101.835 -11.229 -4.240 7 1HD ARG 16 HD2 ARG 16 101.795 -13.460 -5.110 8 2HD ARG 16 HD1 ARG 16 101.778 -13.545 -3.350 9 HE ARG 16 HE ARG 16 99.219 -13.753 -3.757 10 1HH1 ARG 16 1HH1 ARG 16 101.753 -15.179 -5.698 11 2HH1 ARG 16 2HH1 ARG 16 100.777 -16.514 -6.208 12 1HH2 ARG 16 1HH2 ARG 16 97.944 -15.513 -4.427 13 2HH2 ARG 16 2HH2 ARG 16 98.619 -16.704 -5.488 14 H GLU 17 HN GLU 17 97.089 -9.297 -2.516 15 HA GLU 17 HA GLU 17 97.045 -9.784 0.324 16 1HB GLU 17 HB2 GLU 17 97.619 -7.128 -0.742 17 2HB GLU 17 HB1 GLU 17 96.209 -7.140 0.307 18 1HG GLU 17 HG2 GLU 17 97.443 -7.378 2.140 19 2HG GLU 17 HG1 GLU 17 98.436 -8.639 1.413 20 H SER 18 HN SER 18 94.871 -8.367 1.094 21 HA SER 18 HA SER 18 92.762 -9.651 -0.424 22 1HB SER 18 HB2 SER 18 91.366 -8.464 1.476 23 2HB SER 18 HB1 SER 18 92.325 -9.898 1.836 24 HG SER 18 HG SER 18 92.959 -8.509 3.361 25 H LYS 19 HN LYS 19 90.701 -8.348 -0.828 26 HA LYS 19 HA LYS 19 91.401 -6.091 -2.415 27 1HB LYS 19 HB2 LYS 19 88.649 -7.155 -1.786 28 2HB LYS 19 HB1 LYS 19 89.095 -6.100 -3.120 29 1HG LYS 19 HG2 LYS 19 90.742 -8.214 -3.549 30 2HG LYS 19 HG1 LYS 19 89.333 -9.010 -2.849 31 1HD LYS 19 HD2 LYS 19 88.614 -7.006 -4.836 32 2HD LYS 19 HD1 LYS 19 89.651 -8.274 -5.494 33 1HE LYS 19 HE2 LYS 19 87.709 -9.376 -5.765 34 2HE LYS 19 HE1 LYS 19 87.910 -9.756 -4.055 35 1HZ LYS 19 HZ1 LYS 19 85.830 -8.907 -3.988 36 2HZ LYS 19 HZ2 LYS 19 86.047 -7.920 -5.345 37 3HZ LYS 19 HZ3 LYS 19 86.667 -7.442 -3.846 38 H CYS 20 HN CYS 20 89.444 -4.315 -2.226 39 HA CYS 20 HA CYS 20 89.644 -3.266 0.515 40 1HB CYS 20 HB2 CYS 20 90.930 -2.114 -1.320 41 2HB CYS 20 HB1 CYS 20 89.379 -1.638 -1.999 42 HA PRO 21 HA PRO 21 85.119 -3.085 -1.230 43 1HB PRO 21 HB2 PRO 21 84.052 -5.342 -0.089 44 2HB PRO 21 HB1 PRO 21 84.597 -5.244 -1.767 45 1HG PRO 21 HG2 PRO 21 86.004 -6.357 0.622 46 2HG PRO 21 HG1 PRO 21 85.939 -6.986 -1.035 47 1HD PRO 21 HD2 PRO 21 88.078 -5.650 -0.092 48 2HD PRO 21 HD1 PRO 21 87.562 -5.522 -1.787 49 H THR 22 HN THR 22 85.849 -1.435 0.567 50 HA THR 22 HA THR 22 85.038 -2.204 3.236 51 HB THR 22 HB THR 22 85.911 0.415 2.012 52 HG1 THR 22 HG1 THR 22 87.793 -0.211 2.648 53 1HG2 THR 22 1HG2 THR 22 86.087 0.536 4.824 54 2HG2 THR 22 2HG2 THR 22 84.427 0.123 4.409 55 3HG2 THR 22 3HG2 THR 22 85.171 1.573 3.737 56 HA PRO 23 HA PRO 23 80.653 -1.581 2.906 57 1HB PRO 23 HB2 PRO 23 81.116 -0.063 5.448 58 2HB PRO 23 HB1 PRO 23 79.870 -1.258 5.068 59 1HG PRO 23 HG2 PRO 23 82.004 -1.926 6.522 60 2HG PRO 23 HG1 PRO 23 81.315 -3.048 5.334 61 1HD PRO 23 HD2 PRO 23 83.828 -1.483 5.217 62 2HD PRO 23 HD1 PRO 23 83.416 -3.016 4.428 63 H GLY 24 HN GLY 24 82.926 1.001 3.531 64 1HA GLY 24 HA2 GLY 24 81.006 2.976 2.523 65 2HA GLY 24 HA1 GLY 24 82.465 3.340 3.431 66 H CYS 25 HN CYS 25 84.452 2.028 2.064 67 HA CYS 25 HA CYS 25 85.175 3.730 0.079 68 1HB CYS 25 HB2 CYS 25 86.703 1.938 0.997 69 2HB CYS 25 HB1 CYS 25 85.858 0.783 -0.047 70 H ASP 26 HN ASP 26 85.263 3.635 -2.274 71 HA ASP 26 HA ASP 26 82.778 2.467 -3.319 72 1HB ASP 26 HB2 ASP 26 83.269 4.946 -3.542 73 2HB ASP 26 HB1 ASP 26 84.542 4.506 -4.675 74 H GLY 27 HN GLY 27 86.263 2.510 -3.835 75 1HA GLY 27 HA2 GLY 27 87.559 0.871 -4.878 76 2HA GLY 27 HA1 GLY 27 86.085 0.057 -5.364 77 H THR 28 HN THR 28 86.873 3.364 -5.828 78 HA THR 28 HA THR 28 87.579 3.144 -8.553 79 HB THR 28 HB THR 28 84.830 3.714 -7.688 80 HG1 THR 28 HG1 THR 28 85.395 2.013 -9.095 81 1HG2 THR 28 1HG2 THR 28 84.486 5.133 -9.819 82 2HG2 THR 28 2HG2 THR 28 86.174 5.583 -9.575 83 3HG2 THR 28 3HG2 THR 28 84.981 5.908 -8.314 84 H GLY 29 HN GLY 29 89.271 4.042 -6.975 85 1HA GLY 29 HA2 GLY 29 89.708 6.754 -7.532 86 2HA GLY 29 HA1 GLY 29 89.039 6.633 -5.908 87 H HIS 30 HN HIS 30 91.350 4.742 -7.807 88 HA HIS 30 HA HIS 30 92.969 3.687 -5.963 89 1HB HIS 30 HB2 HIS 30 93.077 3.886 -8.559 90 2HB HIS 30 HB1 HIS 30 94.325 5.048 -8.237 91 HD2 HIS 30 HD2 HIS 30 93.639 1.233 -8.064 92 HE1 HIS 30 HE1 HIS 30 97.765 1.909 -7.443 93 HE2 HIS 30 HE2 HIS 30 95.955 0.154 -7.652 94 H VAL 31 HN VAL 31 95.334 4.349 -5.615 95 HA VAL 31 HA VAL 31 95.445 6.183 -3.622 96 HB VAL 31 HB VAL 31 97.206 4.523 -4.067 97 1HG1 VAL 31 1HG1 VAL 31 97.388 5.885 -6.558 98 2HG1 VAL 31 2HG1 VAL 31 98.218 4.420 -6.036 99 3HG1 VAL 31 3HG1 VAL 31 98.949 5.997 -5.743 100 1HG2 VAL 31 1HG2 VAL 31 99.117 6.493 -3.834 101 2HG2 VAL 31 2HG2 VAL 31 98.178 5.798 -2.513 102 3HG2 VAL 31 3HG2 VAL 31 97.645 7.292 -3.282 103 H THR 32 HN THR 32 95.746 6.931 -7.059 104 HA THR 32 HA THR 32 95.987 9.758 -6.315 105 HB THR 32 HB THR 32 97.399 10.170 -8.183 106 HG1 THR 32 HG1 THR 32 96.537 7.637 -9.007 107 1HG2 THR 32 1HG2 THR 32 99.339 9.093 -7.670 108 2HG2 THR 32 2HG2 THR 32 98.545 7.532 -7.454 109 3HG2 THR 32 3HG2 THR 32 98.405 8.776 -6.208 110 H GLY 33 HN GLY 33 94.046 7.409 -7.603 111 1HA GLY 33 HA2 GLY 33 92.070 7.496 -8.746 112 2HA GLY 33 HA1 GLY 33 92.196 9.247 -8.663 113 H LEU 34 HN LEU 34 94.936 7.722 -9.830 114 HA LEU 34 HA LEU 34 94.343 8.608 -12.548 115 1HB LEU 34 HB2 LEU 34 97.015 7.877 -11.379 116 2HB LEU 34 HB1 LEU 34 96.716 8.638 -12.937 117 HG LEU 34 HG LEU 34 95.849 9.898 -10.378 118 1HD1 LEU 34 1HD1 LEU 34 98.431 9.347 -10.691 119 2HD1 LEU 34 2HD1 LEU 34 97.883 10.869 -9.990 120 3HD1 LEU 34 3HD1 LEU 34 98.361 10.800 -11.686 121 1HD2 LEU 34 1HD2 LEU 34 96.669 11.376 -12.828 122 2HD2 LEU 34 2HD2 LEU 34 95.467 11.793 -11.606 123 3HD2 LEU 34 3HD2 LEU 34 95.108 10.554 -12.811 124 H TYR 35 HN TYR 35 93.985 6.024 -10.775 125 HA TYR 35 HA TYR 35 94.865 4.134 -12.840 126 1HB TYR 35 HB2 TYR 35 94.133 3.449 -10.007 127 2HB TYR 35 HB1 TYR 35 94.860 2.383 -11.190 128 HD1 TYR 35 HD1 TYR 35 95.615 5.737 -9.793 129 HD2 TYR 35 HD2 TYR 35 97.062 1.878 -10.727 130 HE1 TYR 35 HE1 TYR 35 97.832 6.369 -8.918 131 HE2 TYR 35 HE2 TYR 35 99.283 2.486 -9.883 132 HH TYR 35 HH TYR 35 100.277 4.095 -8.328 133 HA PRO 36 HA PRO 36 90.592 3.263 -13.588 134 1HB PRO 36 HB2 PRO 36 90.561 0.623 -14.167 135 2HB PRO 36 HB1 PRO 36 91.267 1.818 -15.263 136 1HG PRO 36 HG2 PRO 36 92.626 -0.010 -13.324 137 2HG PRO 36 HG1 PRO 36 93.099 0.422 -14.978 138 1HD PRO 36 HD2 PRO 36 94.211 1.545 -12.750 139 2HD PRO 36 HD1 PRO 36 94.096 2.380 -14.311 140 H HIS 37 HN HIS 37 91.138 3.446 -10.846 141 HA HIS 37 HA HIS 37 89.885 3.047 -8.964 142 1HB HIS 37 HB2 HIS 37 89.057 0.344 -9.995 143 2HB HIS 37 HB1 HIS 37 88.289 1.339 -8.768 144 HD2 HIS 37 HD2 HIS 37 87.909 4.070 -10.518 145 HE1 HIS 37 HE1 HIS 37 85.802 1.519 -13.156 146 HE2 HIS 37 HE2 HIS 37 86.363 3.927 -12.596 147 H HIS 38 HN HIS 38 89.827 0.912 -7.429 148 HA HIS 38 HA HIS 38 92.424 -0.413 -7.647 149 1HB HIS 38 HB2 HIS 38 92.973 0.018 -5.295 150 2HB HIS 38 HB1 HIS 38 92.863 1.509 -6.219 151 HD1 HIS 38 HD1 HIS 38 91.099 3.183 -5.531 152 HD2 HIS 38 HD2 HIS 38 90.892 -0.395 -3.441 153 HE1 HIS 38 HE1 HIS 38 89.434 3.555 -3.651 154 H ARG 39 HN ARG 39 89.496 -0.112 -5.695 155 HA ARG 39 HA ARG 39 88.326 -1.634 -4.469 156 1HB ARG 39 HB2 ARG 39 87.253 -3.251 -5.811 157 2HB ARG 39 HB1 ARG 39 87.614 -1.904 -6.878 158 1HG ARG 39 HG2 ARG 39 89.729 -3.901 -6.847 159 2HG ARG 39 HG1 ARG 39 88.172 -4.558 -7.346 160 1HD ARG 39 HD2 ARG 39 89.187 -1.994 -8.512 161 2HD ARG 39 HD1 ARG 39 89.754 -3.545 -9.126 162 HE ARG 39 HE ARG 39 86.873 -3.032 -8.994 163 1HH1 ARG 39 1HH1 ARG 39 89.750 -3.517 -10.924 164 2HH1 ARG 39 2HH1 ARG 39 88.866 -3.795 -12.385 165 1HH2 ARG 39 1HH2 ARG 39 85.722 -3.393 -10.919 166 2HH2 ARG 39 2HH2 ARG 39 86.585 -3.722 -12.385 167 H SER 40 HN SER 40 91.391 -2.000 -4.339 168 HA SER 40 HA SER 40 91.245 -4.430 -2.841 169 1HB SER 40 HB2 SER 40 92.522 -5.870 -4.103 170 2HB SER 40 HB1 SER 40 91.609 -5.020 -5.353 171 HG SER 40 HG SER 40 93.710 -4.962 -5.997 172 H LEU 41 HN LEU 41 92.254 -1.497 -2.695 173 HA LEU 41 HA LEU 41 93.790 -0.436 -1.405 174 1HB LEU 41 HB2 LEU 41 94.930 -3.151 -0.763 175 2HB LEU 41 HB1 LEU 41 95.204 -1.658 0.112 176 HG LEU 41 HG LEU 41 92.389 -2.526 -0.120 177 1HD1 LEU 41 1HD1 LEU 41 92.506 -4.428 1.068 178 2HD1 LEU 41 2HD1 LEU 41 93.814 -3.832 2.087 179 3HD1 LEU 41 3HD1 LEU 41 94.169 -4.492 0.490 180 1HD2 LEU 41 1HD2 LEU 41 93.108 -1.963 2.518 181 2HD2 LEU 41 2HD2 LEU 41 92.278 -0.898 1.383 182 3HD2 LEU 41 3HD2 LEU 41 94.034 -0.831 1.529 183 H SER 42 HN SER 42 94.377 -1.897 -4.202 184 HA SER 42 HA SER 42 97.217 -1.900 -4.349 185 1HB SER 42 HB2 SER 42 95.015 -1.851 -6.406 186 2HB SER 42 HB1 SER 42 96.707 -1.698 -6.883 187 HG SER 42 HG SER 42 97.058 -3.701 -5.725 188 H GLY 43 HN GLY 43 95.071 0.554 -3.851 189 1HA GLY 43 HA2 GLY 43 97.017 2.580 -4.468 190 2HA GLY 43 HA1 GLY 43 95.529 2.685 -5.379 191 H CYS 44 HN CYS 44 93.549 2.564 -4.136 192 HA CYS 44 HA CYS 44 92.289 4.058 -2.759 193 1HB CYS 44 HB2 CYS 44 92.387 1.581 -2.018 194 2HB CYS 44 HB1 CYS 44 93.354 2.179 -0.674 195 HA PRO 45 HA PRO 45 95.224 6.666 -0.327 196 1HB PRO 45 HB2 PRO 45 95.098 8.850 -1.739 197 2HB PRO 45 HB1 PRO 45 95.822 7.428 -2.507 198 1HG PRO 45 HG2 PRO 45 93.084 8.593 -2.868 199 2HG PRO 45 HG1 PRO 45 94.152 7.885 -4.080 200 1HD PRO 45 HD2 PRO 45 92.051 6.576 -2.676 201 2HD PRO 45 HD1 PRO 45 93.239 5.817 -3.744 202 H HIS 46 HN HIS 46 91.959 6.505 -0.724 203 HA HIS 46 HA HIS 46 90.732 8.827 -0.253 204 1HB HIS 46 HB2 HIS 46 90.207 6.165 1.033 205 2HB HIS 46 HB1 HIS 46 89.122 7.533 1.228 206 HD2 HIS 46 HD2 HIS 46 89.279 4.519 -0.818 207 HE1 HIS 46 HE1 HIS 46 87.372 7.353 -3.275 208 HE2 HIS 46 HE2 HIS 46 88.031 4.931 -3.039 209 H LYS 47 HN LYS 47 91.657 6.835 2.592 210 HA LYS 47 HA LYS 47 92.169 7.414 4.722 211 1HB LYS 47 HB2 LYS 47 93.818 8.954 2.979 212 2HB LYS 47 HB1 LYS 47 93.398 9.960 4.358 213 1HG LYS 47 HG2 LYS 47 94.784 8.861 5.694 214 2HG LYS 47 HG1 LYS 47 94.141 7.297 5.191 215 1HD LYS 47 HD2 LYS 47 95.732 8.466 3.090 216 2HD LYS 47 HD1 LYS 47 96.653 8.382 4.592 217 1HE LYS 47 HE2 LYS 47 95.348 5.933 4.441 218 2HE LYS 47 HE1 LYS 47 95.852 6.263 2.783 219 1HZ LYS 47 HZ1 LYS 47 98.102 6.806 3.847 220 2HZ LYS 47 HZ2 LYS 47 97.661 5.180 3.702 221 3HZ LYS 47 HZ3 LYS 47 97.524 5.963 5.194 222 H ASP 48 HN ASP 48 89.737 7.751 4.856 223 HA ASP 48 HA ASP 48 89.232 10.512 5.746 224 1HB ASP 48 HB2 ASP 48 88.033 9.362 3.553 225 2HB ASP 48 HB1 ASP 48 86.862 9.048 4.830 226 H ARG 49 HN ARG 49 89.399 7.280 6.501 227 HA ARG 49 HA ARG 49 88.660 5.964 8.187 228 1HB ARG 49 HB2 ARG 49 89.241 6.742 10.294 229 2HB ARG 49 HB1 ARG 49 90.183 7.765 9.224 230 1HG ARG 49 HG2 ARG 49 87.755 9.108 9.625 231 2HG ARG 49 HG1 ARG 49 88.240 8.493 11.201 232 1HD ARG 49 HD2 ARG 49 89.342 10.502 11.172 233 2HD ARG 49 HD1 ARG 49 90.580 9.440 10.504 234 HE ARG 49 HE ARG 49 88.869 10.710 8.551 235 1HH1 ARG 49 1HH1 ARG 49 91.844 10.909 10.370 236 2HH1 ARG 49 2HH1 ARG 49 92.597 11.998 9.254 237 1HH2 ARG 49 1HH2 ARG 49 89.859 12.142 7.086 238 2HH2 ARG 49 2HH2 ARG 49 91.471 12.700 7.392 239 H VAL 50 HN VAL 50 86.484 7.019 6.687 240 HA VAL 50 HA VAL 50 84.388 6.168 8.338 241 HB VAL 50 HB VAL 50 83.251 8.689 7.823 242 1HG1 VAL 50 1HG1 VAL 50 82.596 7.175 9.581 243 2HG1 VAL 50 2HG1 VAL 50 83.003 8.750 10.262 244 3HG1 VAL 50 3HG1 VAL 50 84.141 7.410 10.397 245 1HG2 VAL 50 1HG2 VAL 50 86.015 8.932 8.935 246 2HG2 VAL 50 2HG2 VAL 50 84.745 9.998 9.507 247 3HG2 VAL 50 3HG2 VAL 50 85.177 9.980 7.801 248 HA PRO 51 HA PRO 51 82.190 7.421 4.288 249 1HB PRO 51 HB2 PRO 51 83.395 9.182 2.599 250 2HB PRO 51 HB1 PRO 51 82.313 9.692 3.902 251 1HG PRO 51 HG2 PRO 51 85.304 9.622 3.836 252 2HG PRO 51 HG1 PRO 51 84.231 10.896 4.441 253 1HD PRO 51 HD2 PRO 51 85.437 9.153 6.099 254 2HD PRO 51 HD1 PRO 51 83.809 9.781 6.418 255 HA PRO 52 HA PRO 52 83.947 4.698 1.273 256 1HB PRO 52 HB2 PRO 52 84.312 6.464 -0.944 257 2HB PRO 52 HB1 PRO 52 83.021 5.286 -0.706 258 1HG PRO 52 HG2 PRO 52 83.032 8.199 -0.196 259 2HG PRO 52 HG1 PRO 52 81.673 7.125 -0.567 260 1HD PRO 52 HD2 PRO 52 82.036 8.132 1.891 261 2HD PRO 52 HD1 PRO 52 81.413 6.488 1.649 262 H GLU 53 HN GLU 53 85.973 4.316 2.180 263 HA GLU 53 HA GLU 53 88.121 5.693 0.927 264 1HB GLU 53 HB2 GLU 53 87.764 7.116 2.777 265 2HB GLU 53 HB1 GLU 53 87.559 5.754 3.863 266 1HG GLU 53 HG2 GLU 53 90.138 5.611 2.698 267 2HG GLU 53 HG1 GLU 53 89.876 7.234 3.305 268 H ILE 54 HN ILE 54 89.025 4.260 3.776 269 HA ILE 54 HA ILE 54 89.451 1.581 2.764 270 HB ILE 54 HB ILE 54 91.896 2.301 4.039 271 1HG1 ILE 54 2HG1 ILE 54 91.307 4.131 1.679 272 2HG1 ILE 54 1HG1 ILE 54 91.493 4.629 3.358 273 1HG2 ILE 54 1HG2 ILE 54 92.602 1.861 1.459 274 2HG2 ILE 54 2HG2 ILE 54 91.005 1.122 1.522 275 3HG2 ILE 54 3HG2 ILE 54 92.255 0.601 2.645 276 1HD1 ILE 54 1HD1 ILE 54 93.525 5.095 2.263 277 2HD1 ILE 54 2HD1 ILE 54 93.587 3.484 1.548 278 3HD1 ILE 54 3HD1 ILE 54 93.806 3.685 3.286 279 H LEU 55 HN LEU 55 88.198 3.415 5.004 280 HA LEU 55 HA LEU 55 89.303 2.812 7.453 281 1HB LEU 55 HB2 LEU 55 87.660 4.463 7.404 282 2HB LEU 55 HB1 LEU 55 86.517 3.430 6.570 283 HG LEU 55 HG LEU 55 86.315 2.078 8.677 284 1HD1 LEU 55 1HD1 LEU 55 87.994 4.329 9.759 285 2HD1 LEU 55 2HD1 LEU 55 88.356 2.603 9.784 286 3HD1 LEU 55 3HD1 LEU 55 87.038 3.242 10.766 287 1HD2 LEU 55 1HD2 LEU 55 85.569 4.812 9.483 288 2HD2 LEU 55 2HD2 LEU 55 84.585 3.356 9.348 289 3HD2 LEU 55 3HD2 LEU 55 84.984 4.286 7.904 290 H ALA 56 HN ALA 56 87.867 0.542 5.396 291 HA ALA 56 HA ALA 56 87.675 -1.322 7.610 292 1HB ALA 56 HB1 ALA 56 85.638 -2.122 7.016 293 2HB ALA 56 HB2 ALA 56 85.874 -1.753 5.308 294 3HB ALA 56 HB3 ALA 56 85.468 -0.463 6.439 295 H MET 57 HN MET 57 90.012 -1.373 6.560 296 HA MET 57 HA MET 57 90.302 -3.939 5.477 297 1HB MET 57 HB2 MET 57 89.389 -2.602 3.471 298 2HB MET 57 HB1 MET 57 90.985 -1.865 3.415 299 1HG MET 57 HG2 MET 57 90.852 -3.708 1.867 300 2HG MET 57 HG1 MET 57 91.996 -4.072 3.157 301 1HE MET 57 HE1 MET 57 87.809 -4.868 3.786 302 2HE MET 57 HE2 MET 57 87.934 -5.716 2.245 303 3HE MET 57 HE3 MET 57 88.400 -4.018 2.357 304 H HIS 58 HN HIS 58 92.305 -4.651 5.857 305 HA HIS 58 HA HIS 58 94.492 -4.690 6.480 306 1HB HIS 58 HB2 HIS 58 94.421 -3.079 4.297 307 2HB HIS 58 HB1 HIS 58 95.106 -1.976 5.486 308 HD2 HIS 58 HD2 HIS 58 97.191 -3.824 7.015 309 HE1 HIS 58 HE1 HIS 58 98.590 -4.853 3.156 310 HE2 HIS 58 HE2 HIS 58 99.052 -5.000 5.643 311 H GLU 59 HN GLU 59 95.688 -4.181 8.266 312 HA GLU 59 HA GLU 59 94.555 -2.900 10.410 313 1HB GLU 59 HB2 GLU 59 96.522 -4.395 10.537 314 2HB GLU 59 HB1 GLU 59 97.517 -3.122 9.840 315 1HG GLU 59 HG2 GLU 59 97.947 -2.455 11.904 316 2HG GLU 59 HG1 GLU 59 96.271 -1.918 12.008 317 H ASN 60 HN ASN 60 96.334 -1.505 7.763 318 HA ASN 60 HA ASN 60 96.747 1.045 9.006 319 1HB ASN 60 HB2 ASN 60 97.182 -0.117 6.294 320 2HB ASN 60 HB1 ASN 60 97.086 1.637 6.431 321 1HD2 ASN 60 1HD2 ASN 60 98.858 2.696 6.959 322 2HD2 ASN 60 2HD2 ASN 60 100.306 1.989 7.609 323 H VAL 61 HN VAL 61 94.324 0.914 9.638 324 HA VAL 61 HA VAL 61 92.646 2.067 7.520 325 HB VAL 61 HB VAL 61 90.790 1.675 9.260 326 1HG1 VAL 61 1HG1 VAL 61 92.168 -0.223 7.498 327 2HG1 VAL 61 2HG1 VAL 61 90.464 0.229 7.578 328 3HG1 VAL 61 3HG1 VAL 61 91.113 -0.964 8.704 329 1HG2 VAL 61 1HG2 VAL 61 92.805 1.106 10.947 330 2HG2 VAL 61 2HG2 VAL 61 92.423 -0.518 10.373 331 3HG2 VAL 61 3HG2 VAL 61 91.173 0.466 11.132 332 H LEU 62 HN LEU 62 91.190 3.832 8.121 333 HA LEU 62 HA LEU 62 90.751 5.889 8.963 334 1HB LEU 62 HB2 LEU 62 92.384 5.070 11.361 335 2HB LEU 62 HB1 LEU 62 91.210 6.369 11.282 336 HG LEU 62 HG LEU 62 89.819 4.044 10.529 337 1HD1 LEU 62 1HD1 LEU 62 91.756 2.813 11.529 338 2HD1 LEU 62 2HD1 LEU 62 90.196 2.479 12.280 339 3HD1 LEU 62 3HD1 LEU 62 91.346 3.554 13.075 340 1HD2 LEU 62 1HD2 LEU 62 89.473 6.208 12.181 341 2HD2 LEU 62 2HD2 LEU 62 89.513 4.857 13.314 342 3HD2 LEU 62 3HD2 LEU 62 88.345 4.866 11.994 343 H LYS 63 HN LYS 63 94.020 5.231 10.222 344 HA LYS 63 HA LYS 63 94.971 7.561 8.692 345 1HB LYS 63 HB2 LYS 63 94.938 7.240 11.477 346 2HB LYS 63 HB1 LYS 63 96.612 6.978 11.004 347 1HG LYS 63 HG2 LYS 63 95.403 9.288 9.704 348 2HG LYS 63 HG1 LYS 63 95.430 9.406 11.465 349 1HD LYS 63 HD2 LYS 63 97.924 8.509 11.036 350 2HD LYS 63 HD1 LYS 63 97.660 9.380 9.524 351 1HE LYS 63 HE2 LYS 63 97.284 11.418 10.645 352 2HE LYS 63 HE1 LYS 63 97.090 10.615 12.203 353 1HZ LYS 63 HZ1 LYS 63 99.543 11.253 10.734 354 2HZ LYS 63 HZ2 LYS 63 99.537 9.875 11.714 355 3HZ LYS 63 HZ3 LYS 63 99.209 11.393 12.387
Contact the webmaster for help, if required. Friday, July 5, 2024 12:49:39 AM GMT (wattos1)