NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562237 | 2lra | 18355 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 8.666 3.098 16.021 2 H2 GLY 1 2HT GLY 1 7.280 3.803 16.692 3 H3 GLY 1 3HT GLY 1 7.182 3.000 15.204 4 HA2 GLY 1 1HA GLY 1 7.696 1.797 17.867 5 HA3 GLY 1 2HA GLY 1 6.264 1.576 16.869 6 H ALA 2 H ALA 2 6.198 -0.272 15.804 7 HA ALA 2 HA ALA 2 8.660 -1.788 15.427 8 HB1 ALA 2 1HB ALA 2 7.214 -3.641 14.816 9 HB2 ALA 2 2HB ALA 2 5.810 -2.576 14.825 10 HB3 ALA 2 3HB ALA 2 6.663 -2.921 16.329 11 H MET 3 H MET 3 9.716 -1.878 13.566 12 HA MET 3 HA MET 3 8.848 -0.240 11.368 13 HB2 MET 3 2HB MET 3 11.242 -0.585 12.202 14 HB3 MET 3 1HB MET 3 11.193 -2.135 11.376 15 HG2 MET 3 2HG MET 3 12.274 -0.497 9.989 16 HG3 MET 3 1HG MET 3 10.742 -0.976 9.262 17 HE1 MET 3 3HE MET 3 12.543 1.652 8.574 18 HE2 MET 3 1HE MET 3 11.273 2.852 8.346 19 HE3 MET 3 2HE MET 3 11.079 1.231 7.682 20 H ALA 4 H ALA 4 7.963 -0.872 9.462 21 HA ALA 4 HA ALA 4 6.738 -3.459 9.411 22 HB1 ALA 4 1HB ALA 4 6.698 -1.295 7.320 23 HB2 ALA 4 2HB ALA 4 5.563 -1.450 8.661 24 HB3 ALA 4 3HB ALA 4 5.620 -2.687 7.404 25 H PHE 5 H PHE 5 9.033 -4.414 9.409 26 HA PHE 5 HA PHE 5 9.388 -5.481 6.715 27 HB2 PHE 5 2HB PHE 5 11.672 -4.418 8.403 28 HB3 PHE 5 1HB PHE 5 11.890 -5.477 7.018 29 HD1 PHE 5 2HD PHE 5 11.191 -4.645 4.735 30 HD2 PHE 5 1HD PHE 5 11.457 -2.110 8.145 31 HE1 PHE 5 2HE PHE 5 11.312 -2.682 3.263 32 HE2 PHE 5 1HE PHE 5 11.576 -0.144 6.675 33 HZ PHE 5 HZ PHE 5 11.505 -0.427 4.231 34 H ASP 6 H ASP 6 8.410 -7.390 7.462 35 HA ASP 6 HA ASP 6 10.048 -8.907 9.372 36 HB2 ASP 6 2HB ASP 6 7.977 -8.019 10.471 37 HB3 ASP 6 1HB ASP 6 7.027 -8.965 9.333 38 H GLY 7 H GLY 7 7.064 -9.614 7.546 39 HA2 GLY 7 2HA GLY 7 7.244 -10.884 5.461 40 HA3 GLY 7 1HA GLY 7 8.592 -11.739 6.186 41 H GLU 8 H GLU 8 5.094 -11.284 6.303 42 HA GLU 8 HA GLU 8 4.620 -13.617 7.893 43 HB2 GLU 8 2HB GLU 8 2.940 -11.829 7.673 44 HB3 GLU 8 1HB GLU 8 2.793 -12.173 5.958 45 HG2 GLU 8 2HG GLU 8 0.946 -13.093 7.273 46 HG3 GLU 8 1HG GLU 8 1.855 -14.340 6.423 47 H ASP 9 H ASP 9 3.886 -15.665 7.149 48 HA ASP 9 HA ASP 9 5.478 -16.386 4.814 49 HB2 ASP 9 2HB ASP 9 4.272 -18.104 6.992 50 HB3 ASP 9 1HB ASP 9 5.299 -18.696 5.690 51 H GLU 10 H GLU 10 2.244 -15.793 5.400 52 HA GLU 10 HA GLU 10 1.262 -17.979 3.748 53 HB2 GLU 10 2HB GLU 10 -0.974 -17.158 4.318 54 HB3 GLU 10 1HB GLU 10 0.005 -17.420 5.755 55 HG2 GLU 10 2HG GLU 10 0.469 -15.006 5.847 56 HG3 GLU 10 1HG GLU 10 -0.586 -14.774 4.453 57 H VAL 11 H VAL 11 2.674 -15.180 3.005 58 HA VAL 11 HA VAL 11 0.862 -14.618 0.751 59 HB VAL 11 HB VAL 11 1.910 -12.382 0.624 60 HG11 VAL 11 1HG1 VAL 11 0.749 -13.026 3.332 61 HG12 VAL 11 2HG1 VAL 11 -0.171 -12.684 1.865 62 HG13 VAL 11 3HG1 VAL 11 0.832 -11.427 2.591 63 HG21 VAL 11 3HG2 VAL 11 3.318 -13.247 3.147 64 HG22 VAL 11 1HG2 VAL 11 3.287 -11.599 2.520 65 HG23 VAL 11 2HG2 VAL 11 4.069 -12.880 1.593 66 H THR 12 H THR 12 1.863 -14.061 -1.295 67 HA THR 12 HA THR 12 4.368 -15.526 -1.690 68 HB THR 12 HB THR 12 2.473 -16.252 -3.069 69 HG1 THR 12 1HG THR 12 4.688 -15.016 -4.352 70 HG21 THR 12 3HG2 THR 12 1.595 -14.789 -4.840 71 HG22 THR 12 1HG2 THR 12 2.560 -13.455 -4.207 72 HG23 THR 12 2HG2 THR 12 1.261 -14.142 -3.234 73 H GLY 13 H GLY 13 3.240 -12.370 -1.399 74 HA2 GLY 13 2HA GLY 13 5.346 -11.295 -3.152 75 HA3 GLY 13 1HA GLY 13 3.941 -10.398 -2.592 76 HA PRO 14 HA PRO 14 7.698 -10.154 0.417 77 HB2 PRO 14 2HB PRO 14 9.250 -8.205 -0.679 78 HB3 PRO 14 1HB PRO 14 9.508 -9.928 -0.970 79 HG2 PRO 14 2HG PRO 14 8.176 -7.892 -2.701 80 HG3 PRO 14 1HG PRO 14 9.249 -9.223 -3.160 81 HD2 PRO 14 2HD PRO 14 6.535 -9.317 -3.418 82 HD3 PRO 14 1HD PRO 14 7.547 -10.754 -3.171 83 H ASP 15 H ASP 15 7.161 -7.176 -1.446 84 HA ASP 15 HA ASP 15 6.722 -5.593 0.884 85 HB2 ASP 15 2HB ASP 15 6.168 -3.808 -0.721 86 HB3 ASP 15 1HB ASP 15 7.651 -4.641 -1.180 87 H ALA 16 H ALA 16 4.746 -7.416 -1.274 88 HA ALA 16 HA ALA 16 2.233 -6.313 -0.919 89 HB1 ALA 16 1HB ALA 16 1.343 -8.473 -1.557 90 HB2 ALA 16 2HB ALA 16 2.889 -9.243 -1.197 91 HB3 ALA 16 3HB ALA 16 2.765 -8.092 -2.528 92 H ASP 17 H ASP 17 4.130 -8.235 1.251 93 HA ASP 17 HA ASP 17 1.932 -8.735 3.065 94 HB2 ASP 17 2HB ASP 17 3.508 -10.471 3.040 95 HB3 ASP 17 1HB ASP 17 4.870 -9.359 3.069 96 H ARG 18 H ARG 18 4.962 -6.875 3.144 97 HA ARG 18 HA ARG 18 4.711 -6.005 5.792 98 HB2 ARG 18 2HB ARG 18 6.111 -4.274 3.810 99 HB3 ARG 18 1HB ARG 18 6.596 -4.722 5.431 100 HG2 ARG 18 2HG ARG 18 6.713 -6.478 2.992 101 HG3 ARG 18 1HG ARG 18 8.075 -5.674 3.766 102 HD2 ARG 18 2HD ARG 18 7.477 -6.993 5.853 103 HD3 ARG 18 1HD ARG 18 6.400 -7.939 4.823 104 HE ARG 18 HE ARG 18 9.336 -7.775 4.543 105 HH11 ARG 18 1HH1 ARG 18 6.313 -9.497 4.044 106 HH12 ARG 18 2HH1 ARG 18 7.073 -10.849 3.253 107 HH21 ARG 18 1HH2 ARG 18 10.325 -9.558 3.533 108 HH22 ARG 18 2HH2 ARG 18 9.352 -10.876 2.954 109 H ALA 19 H ALA 19 3.811 -4.411 2.751 110 HA ALA 19 HA ALA 19 2.971 -1.996 4.030 111 HB1 ALA 19 1HB ALA 19 3.774 -2.041 1.718 112 HB2 ALA 19 2HB ALA 19 2.158 -1.346 1.836 113 HB3 ALA 19 3HB ALA 19 2.368 -2.997 1.252 114 H ARG 20 H ARG 20 1.382 -4.925 2.966 115 HA ARG 20 HA ARG 20 -1.281 -3.983 3.106 116 HB2 ARG 20 2HB ARG 20 -0.585 -6.015 1.886 117 HB3 ARG 20 1HB ARG 20 -0.225 -6.796 3.417 118 HG2 ARG 20 2HG ARG 20 -2.606 -6.610 4.035 119 HG3 ARG 20 1HG ARG 20 -2.935 -5.912 2.444 120 HD2 ARG 20 2HD ARG 20 -2.181 -7.914 1.354 121 HD3 ARG 20 1HD ARG 20 -1.651 -8.601 2.887 122 HE ARG 20 HE ARG 20 -4.459 -8.180 2.098 123 HH11 ARG 20 1HH1 ARG 20 -2.033 -9.769 4.070 124 HH12 ARG 20 2HH1 ARG 20 -3.137 -10.984 4.667 125 HH21 ARG 20 1HH2 ARG 20 -5.904 -9.764 2.876 126 HH22 ARG 20 2HH2 ARG 20 -5.347 -10.966 4.003 127 H ALA 21 H ALA 21 0.825 -5.636 5.433 128 HA ALA 21 HA ALA 21 -1.037 -5.992 7.490 129 HB1 ALA 21 1HB ALA 21 1.925 -5.476 7.737 130 HB2 ALA 21 2HB ALA 21 1.171 -7.048 7.469 131 HB3 ALA 21 3HB ALA 21 0.884 -6.179 8.976 132 H ALA 22 H ALA 22 1.013 -3.228 6.695 133 HA ALA 22 HA ALA 22 0.329 -1.680 8.977 134 HB1 ALA 22 1HB ALA 22 2.355 -1.248 7.681 135 HB2 ALA 22 2HB ALA 22 1.339 0.191 7.772 136 HB3 ALA 22 3HB ALA 22 1.374 -0.771 6.294 137 H ALA 23 H ALA 23 -1.023 -2.026 5.757 138 HA ALA 23 HA ALA 23 -2.773 0.174 5.790 139 HB1 ALA 23 1HB ALA 23 -3.050 -2.445 4.329 140 HB2 ALA 23 2HB ALA 23 -2.184 -1.021 3.751 141 HB3 ALA 23 3HB ALA 23 -3.932 -0.960 3.969 142 H VAL 24 H VAL 24 -3.234 -3.204 6.755 143 HA VAL 24 HA VAL 24 -5.966 -3.144 7.289 144 HB VAL 24 HB VAL 24 -3.852 -4.733 8.761 145 HG11 VAL 24 1HG1 VAL 24 -5.695 -6.328 9.195 146 HG12 VAL 24 2HG1 VAL 24 -6.830 -5.161 8.513 147 HG13 VAL 24 3HG1 VAL 24 -5.933 -4.767 9.981 148 HG21 VAL 24 3HG2 VAL 24 -5.465 -5.406 6.305 149 HG22 VAL 24 1HG2 VAL 24 -4.409 -6.524 7.168 150 HG23 VAL 24 2HG2 VAL 24 -3.729 -5.103 6.373 151 H GLN 25 H GLN 25 -3.279 -1.976 9.159 152 HA GLN 25 HA GLN 25 -4.790 -1.650 11.586 153 HB2 GLN 25 2HB GLN 25 -2.033 -0.686 10.810 154 HB3 GLN 25 1HB GLN 25 -2.718 -0.589 12.428 155 HG2 GLN 25 2HG GLN 25 -2.814 -2.973 12.599 156 HG3 GLN 25 1HG GLN 25 -2.330 -3.157 10.916 157 HE21 GLN 25 1HE2 GLN 25 -0.336 -1.031 11.088 158 HE22 GLN 25 2HE2 GLN 25 0.989 -1.705 11.962 159 H ALA 26 H ALA 26 -4.496 0.098 8.725 160 HA ALA 26 HA ALA 26 -4.958 2.680 10.036 161 HB1 ALA 26 1HB ALA 26 -4.340 2.087 7.144 162 HB2 ALA 26 2HB ALA 26 -3.178 2.609 8.364 163 HB3 ALA 26 3HB ALA 26 -4.485 3.686 7.872 164 H VAL 27 H VAL 27 -6.509 0.293 7.998 165 HA VAL 27 HA VAL 27 -8.851 2.061 7.809 166 HB VAL 27 HB VAL 27 -7.991 1.458 5.619 167 HG11 VAL 27 1HG1 VAL 27 -8.012 -0.843 4.807 168 HG12 VAL 27 2HG1 VAL 27 -8.472 -1.407 6.412 169 HG13 VAL 27 3HG1 VAL 27 -6.900 -0.646 6.163 170 HG21 VAL 27 3HG2 VAL 27 -10.384 1.770 5.850 171 HG22 VAL 27 1HG2 VAL 27 -10.586 0.065 6.248 172 HG23 VAL 27 2HG2 VAL 27 -10.038 0.535 4.639 173 HA PRO 28 HA PRO 28 -10.634 -0.725 10.764 174 HB2 PRO 28 2HB PRO 28 -13.060 0.484 10.913 175 HB3 PRO 28 1HB PRO 28 -11.615 1.120 11.706 176 HG2 PRO 28 2HG PRO 28 -12.894 1.958 9.137 177 HG3 PRO 28 1HG PRO 28 -12.186 2.961 10.415 178 HD2 PRO 28 2HD PRO 28 -10.889 2.371 8.099 179 HD3 PRO 28 1HD PRO 28 -10.046 2.672 9.632 180 H GLY 29 H GLY 29 -10.821 -2.637 9.631 181 HA2 GLY 29 2HA GLY 29 -11.913 -4.370 8.613 182 HA3 GLY 29 1HA GLY 29 -13.398 -3.540 9.047 183 H GLY 30 H GLY 30 -10.888 -2.312 6.898 184 HA2 GLY 30 2HA GLY 30 -12.956 -2.000 4.845 185 HA3 GLY 30 1HA GLY 30 -11.414 -1.156 4.896 186 H THR 31 H THR 31 -11.949 -2.038 2.537 187 HA THR 31 HA THR 31 -11.127 -4.763 2.090 188 HB THR 31 HB THR 31 -11.468 -2.524 0.082 189 HG1 THR 31 1HG THR 31 -13.290 -3.789 1.598 190 HG21 THR 31 3HG2 THR 31 -11.821 -4.359 -1.515 191 HG22 THR 31 1HG2 THR 31 -11.482 -5.528 -0.240 192 HG23 THR 31 2HG2 THR 31 -10.215 -4.429 -0.789 193 H ALA 32 H ALA 32 -9.066 -5.368 2.188 194 HA ALA 32 HA ALA 32 -7.009 -3.488 1.237 195 HB1 ALA 32 1HB ALA 32 -6.707 -5.445 3.517 196 HB2 ALA 32 2HB ALA 32 -6.943 -3.707 3.694 197 HB3 ALA 32 3HB ALA 32 -5.480 -4.324 2.926 198 H GLY 33 H GLY 33 -5.611 -4.271 -0.225 199 HA2 GLY 33 2HA GLY 33 -5.674 -7.178 -0.759 200 HA3 GLY 33 1HA GLY 33 -5.702 -5.989 -2.054 201 H GLU 34 H GLU 34 -3.743 -7.989 -1.890 202 HA GLU 34 HA GLU 34 -1.377 -7.066 -0.668 203 HB2 GLU 34 2HB GLU 34 -0.300 -8.610 -2.498 204 HB3 GLU 34 1HB GLU 34 -1.199 -9.291 -1.154 205 HG2 GLU 34 2HG GLU 34 -1.830 -10.454 -3.114 206 HG3 GLU 34 1HG GLU 34 -3.186 -9.438 -2.641 207 H VAL 35 H VAL 35 0.386 -5.985 -1.471 208 HA VAL 35 HA VAL 35 -0.326 -4.117 -3.615 209 HB VAL 35 HB VAL 35 1.138 -2.513 -2.604 210 HG11 VAL 35 1HG1 VAL 35 -1.075 -2.637 -1.651 211 HG12 VAL 35 2HG1 VAL 35 0.094 -2.250 -0.387 212 HG13 VAL 35 3HG1 VAL 35 -0.552 -3.886 -0.522 213 HG21 VAL 35 3HG2 VAL 35 1.927 -4.690 -0.671 214 HG22 VAL 35 1HG2 VAL 35 2.396 -2.994 -0.542 215 HG23 VAL 35 2HG2 VAL 35 2.949 -3.960 -1.910 216 H GLU 36 H GLU 36 1.347 -3.393 -5.062 217 HA GLU 36 HA GLU 36 3.530 -5.340 -5.377 218 HB2 GLU 36 2HB GLU 36 3.376 -5.054 -7.790 219 HB3 GLU 36 1HB GLU 36 1.827 -5.576 -7.146 220 HG2 GLU 36 2HG GLU 36 1.101 -3.179 -7.194 221 HG3 GLU 36 1HG GLU 36 2.595 -2.816 -8.057 222 H THR 37 H THR 37 5.488 -4.482 -6.342 223 HA THR 37 HA THR 37 6.188 -1.980 -5.165 224 HB THR 37 HB THR 37 8.384 -2.403 -6.467 225 HG1 THR 37 1HG THR 37 7.074 -4.065 -7.790 226 HG21 THR 37 3HG2 THR 37 8.143 -2.842 -4.083 227 HG22 THR 37 1HG2 THR 37 9.107 -4.102 -4.854 228 HG23 THR 37 2HG2 THR 37 7.422 -4.413 -4.432 229 H GLU 38 H GLU 38 6.055 -0.031 -6.006 230 HA GLU 38 HA GLU 38 5.297 0.370 -8.758 231 HB2 GLU 38 2HB GLU 38 5.972 2.371 -6.588 232 HB3 GLU 38 1HB GLU 38 5.305 2.772 -8.166 233 HG2 GLU 38 2HG GLU 38 3.343 1.308 -7.578 234 HG3 GLU 38 1HG GLU 38 3.986 1.255 -5.936 235 H THR 39 H THR 39 6.667 2.699 -9.399 236 HA THR 39 HA THR 39 8.973 1.667 -10.598 237 HB THR 39 HB THR 39 9.509 4.135 -11.000 238 HG1 THR 39 1HG THR 39 8.213 4.746 -9.060 239 HG21 THR 39 3HG2 THR 39 6.768 3.126 -11.775 240 HG22 THR 39 1HG2 THR 39 8.272 2.778 -12.625 241 HG23 THR 39 2HG2 THR 39 7.649 4.428 -12.573 242 H GLY 40 H GLY 40 11.033 1.491 -9.945 243 HA2 GLY 40 2HA GLY 40 11.626 1.637 -7.191 244 HA3 GLY 40 1HA GLY 40 12.784 1.329 -8.476 245 H GLU 41 H GLU 41 12.674 3.666 -9.904 246 HA GLU 41 HA GLU 41 14.102 5.435 -8.118 247 HB2 GLU 41 2HB GLU 41 14.958 4.942 -10.385 248 HB3 GLU 41 1HB GLU 41 13.531 5.702 -11.077 249 HG2 GLU 41 2HG GLU 41 14.190 7.818 -9.974 250 HG3 GLU 41 1HG GLU 41 15.675 7.031 -9.440 251 H GLY 42 H GLY 42 13.037 6.859 -6.946 252 HA2 GLY 42 2HA GLY 42 11.611 9.000 -7.689 253 HA3 GLY 42 1HA GLY 42 10.383 7.739 -7.706 254 H ALA 43 H ALA 43 9.298 8.887 -6.006 255 HA ALA 43 HA ALA 43 10.636 8.736 -3.390 256 HB1 ALA 43 1HB ALA 43 9.738 10.934 -4.012 257 HB2 ALA 43 2HB ALA 43 8.922 10.276 -2.593 258 HB3 ALA 43 3HB ALA 43 8.128 10.230 -4.168 259 H ALA 44 H ALA 44 7.705 7.834 -5.137 260 HA ALA 44 HA ALA 44 6.751 6.235 -2.893 261 HB1 ALA 44 1HB ALA 44 5.126 7.555 -4.156 262 HB2 ALA 44 2HB ALA 44 4.783 5.830 -4.290 263 HB3 ALA 44 3HB ALA 44 5.553 6.683 -5.627 264 H ALA 45 H ALA 45 7.604 4.295 -2.636 265 HA ALA 45 HA ALA 45 8.514 2.810 -5.003 266 HB1 ALA 45 1HB ALA 45 10.189 3.210 -3.257 267 HB2 ALA 45 2HB ALA 45 9.865 1.490 -3.475 268 HB3 ALA 45 3HB ALA 45 9.175 2.351 -2.098 269 H TYR 46 H TYR 46 6.226 2.786 -2.414 270 HA TYR 46 HA TYR 46 5.261 0.149 -3.304 271 HB2 TYR 46 2HB TYR 46 5.059 1.164 -0.463 272 HB3 TYR 46 1HB TYR 46 4.691 -0.451 -1.051 273 HD1 TYR 46 1HD TYR 46 6.537 -2.004 -1.637 274 HD2 TYR 46 2HD TYR 46 7.292 1.824 0.062 275 HE1 TYR 46 1HE TYR 46 8.830 -2.705 -1.069 276 HE2 TYR 46 2HE TYR 46 9.581 1.134 0.622 277 HH TYR 46 HH TYR 46 10.834 -0.956 1.021 278 H GLY 47 H GLY 47 3.147 0.088 -3.855 279 HA2 GLY 47 2HA GLY 47 1.505 2.438 -3.137 280 HA3 GLY 47 1HA GLY 47 1.288 1.490 -4.604 281 H VAL 48 H VAL 48 0.150 2.017 -1.537 282 HA VAL 48 HA VAL 48 -0.727 -0.742 -1.112 283 HB VAL 48 HB VAL 48 -1.047 1.634 0.727 284 HG11 VAL 48 1HG1 VAL 48 -2.642 -0.131 1.160 285 HG12 VAL 48 2HG1 VAL 48 -1.431 -0.081 2.442 286 HG13 VAL 48 3HG1 VAL 48 -1.348 -1.326 1.195 287 HG21 VAL 48 3HG2 VAL 48 0.846 0.707 1.976 288 HG22 VAL 48 1HG2 VAL 48 1.313 1.177 0.341 289 HG23 VAL 48 2HG2 VAL 48 1.060 -0.524 0.733 290 H LEU 49 H LEU 49 -2.573 -1.255 -2.104 291 HA LEU 49 HA LEU 49 -4.563 0.793 -2.601 292 HB2 LEU 49 2HB LEU 49 -5.727 -0.975 -3.878 293 HB3 LEU 49 1HB LEU 49 -4.084 -0.697 -4.418 294 HG LEU 49 HG LEU 49 -3.792 -2.758 -2.605 295 HD11 LEU 49 1HD1 LEU 49 -6.298 -3.251 -4.206 296 HD12 LEU 49 2HD1 LEU 49 -6.217 -3.031 -2.458 297 HD13 LEU 49 3HD1 LEU 49 -5.451 -4.432 -3.207 298 HD21 LEU 49 3HD2 LEU 49 -3.419 -4.144 -4.589 299 HD22 LEU 49 1HD2 LEU 49 -2.669 -2.556 -4.751 300 HD23 LEU 49 2HD2 LEU 49 -4.180 -2.907 -5.591 301 H VAL 50 H VAL 50 -6.068 1.257 -1.177 302 HA VAL 50 HA VAL 50 -7.289 -0.934 0.348 303 HB VAL 50 HB VAL 50 -7.477 0.565 2.347 304 HG11 VAL 50 1HG1 VAL 50 -4.682 -0.162 1.490 305 HG12 VAL 50 2HG1 VAL 50 -5.842 -1.228 2.281 306 HG13 VAL 50 3HG1 VAL 50 -5.197 0.169 3.144 307 HG21 VAL 50 3HG2 VAL 50 -7.082 2.712 1.294 308 HG22 VAL 50 1HG2 VAL 50 -5.447 2.223 0.854 309 HG23 VAL 50 2HG2 VAL 50 -5.877 2.427 2.553 310 H THR 51 H THR 51 -9.458 -0.573 0.941 311 HA THR 51 HA THR 51 -10.729 1.766 -0.299 312 HB THR 51 HB THR 51 -11.714 -1.071 -0.636 313 HG1 THR 51 1HG THR 51 -9.814 0.295 -1.952 314 HG21 THR 51 3HG2 THR 51 -12.648 1.526 -1.875 315 HG22 THR 51 1HG2 THR 51 -13.510 0.603 -0.647 316 HG23 THR 51 2HG2 THR 51 -13.274 -0.078 -2.258 317 H ARG 52 H ARG 52 -12.064 2.739 1.068 318 HA ARG 52 HA ARG 52 -12.927 1.414 3.487 319 HB2 ARG 52 2HB ARG 52 -13.374 4.174 2.361 320 HB3 ARG 52 1HB ARG 52 -14.267 3.607 3.762 321 HG2 ARG 52 2HG ARG 52 -12.505 4.797 4.677 322 HG3 ARG 52 1HG ARG 52 -11.967 3.123 4.787 323 HD2 ARG 52 2HD ARG 52 -10.602 3.416 2.790 324 HD3 ARG 52 1HD ARG 52 -11.175 5.077 2.628 325 HE ARG 52 HE ARG 52 -9.805 4.322 5.106 326 HH11 ARG 52 1HH1 ARG 52 -9.703 6.037 2.045 327 HH12 ARG 52 2HH1 ARG 52 -8.347 7.023 2.501 328 HH21 ARG 52 1HH2 ARG 52 -8.044 5.601 5.702 329 HH22 ARG 52 2HH2 ARG 52 -7.402 6.780 4.590 330 HA PRO 53 HA PRO 53 -16.590 -0.435 1.919 331 HB2 PRO 53 2HB PRO 53 -18.250 -0.037 4.099 332 HB3 PRO 53 1HB PRO 53 -17.085 -1.355 3.934 333 HG2 PRO 53 2HG PRO 53 -16.824 1.236 5.396 334 HG3 PRO 53 1HG PRO 53 -16.271 -0.382 5.868 335 HD2 PRO 53 2HD PRO 53 -14.567 1.444 4.910 336 HD3 PRO 53 1HD PRO 53 -14.399 -0.276 4.495 337 H ASP 54 H ASP 54 -16.486 2.842 2.857 338 HA ASP 54 HA ASP 54 -19.137 3.634 2.259 339 HB2 ASP 54 2HB ASP 54 -16.591 5.263 2.132 340 HB3 ASP 54 1HB ASP 54 -18.228 5.908 2.188 341 H GLY 55 H GLY 55 -16.695 2.490 0.261 342 HA2 GLY 55 2HA GLY 55 -16.983 2.137 -2.059 343 HA3 GLY 55 1HA GLY 55 -18.126 3.475 -2.094 344 H THR 56 H THR 56 -14.979 3.618 -0.568 345 HA THR 56 HA THR 56 -14.061 5.369 -2.735 346 HB THR 56 HB THR 56 -14.756 6.858 -0.984 347 HG1 THR 56 1HG THR 56 -13.010 7.981 -1.296 348 HG21 THR 56 3HG2 THR 56 -12.995 5.252 0.865 349 HG22 THR 56 1HG2 THR 56 -14.756 5.342 0.906 350 HG23 THR 56 2HG2 THR 56 -13.792 6.771 1.279 351 H ARG 57 H ARG 57 -12.278 4.690 -3.592 352 HA ARG 57 HA ARG 57 -10.544 2.851 -2.084 353 HB2 ARG 57 2HB ARG 57 -11.421 1.845 -4.077 354 HB3 ARG 57 1HB ARG 57 -10.995 3.249 -5.040 355 HG2 ARG 57 2HG ARG 57 -8.625 2.759 -4.711 356 HG3 ARG 57 1HG ARG 57 -9.059 1.340 -3.753 357 HD2 ARG 57 2HD ARG 57 -10.063 0.278 -5.623 358 HD3 ARG 57 1HD ARG 57 -9.986 1.753 -6.585 359 HE ARG 57 HE ARG 57 -7.385 1.234 -6.020 360 HH11 ARG 57 1HH1 ARG 57 -9.980 -0.683 -7.378 361 HH12 ARG 57 2HH1 ARG 57 -8.937 -1.595 -8.433 362 HH21 ARG 57 1HH2 ARG 57 -5.998 0.056 -7.390 363 HH22 ARG 57 2HH2 ARG 57 -6.652 -1.193 -8.417 364 H VAL 58 H VAL 58 -8.572 3.464 -1.547 365 HA VAL 58 HA VAL 58 -7.354 5.761 -2.922 366 HB VAL 58 HB VAL 58 -7.461 5.332 0.076 367 HG11 VAL 58 1HG1 VAL 58 -6.199 7.424 0.256 368 HG12 VAL 58 2HG1 VAL 58 -6.048 7.482 -1.500 369 HG13 VAL 58 3HG1 VAL 58 -5.278 6.181 -0.592 370 HG21 VAL 58 3HG2 VAL 58 -9.522 6.269 -0.770 371 HG22 VAL 58 1HG2 VAL 58 -8.627 7.497 -1.668 372 HG23 VAL 58 2HG2 VAL 58 -8.616 7.512 0.095 373 H GLU 59 H GLU 59 -5.177 5.528 -3.320 374 HA GLU 59 HA GLU 59 -3.958 3.099 -2.213 375 HB2 GLU 59 2HB GLU 59 -2.291 3.296 -4.073 376 HB3 GLU 59 1HB GLU 59 -3.932 2.937 -4.581 377 HG2 GLU 59 2HG GLU 59 -4.244 5.261 -5.242 378 HG3 GLU 59 1HG GLU 59 -2.606 5.637 -4.704 379 H VAL 60 H VAL 60 -2.505 3.290 -0.739 380 HA VAL 60 HA VAL 60 -1.553 5.918 0.033 381 HB VAL 60 HB VAL 60 -0.876 3.267 1.306 382 HG11 VAL 60 1HG1 VAL 60 -0.826 6.078 2.378 383 HG12 VAL 60 2HG1 VAL 60 0.575 5.090 1.964 384 HG13 VAL 60 3HG1 VAL 60 -0.471 4.623 3.307 385 HG21 VAL 60 3HG2 VAL 60 -3.299 3.500 1.234 386 HG22 VAL 60 1HG2 VAL 60 -3.175 5.105 1.955 387 HG23 VAL 60 2HG2 VAL 60 -2.703 3.683 2.884 388 H HIS 61 H HIS 61 0.273 6.720 -0.729 389 HA HIS 61 HA HIS 61 2.168 4.923 -2.017 390 HB2 HIS 61 2HB HIS 61 1.869 7.917 -2.015 391 HB3 HIS 61 1HB HIS 61 3.251 7.100 -2.743 392 HD1 HIS 61 1HD HIS 61 -0.136 8.208 -3.501 393 HD2 HIS 61 2HD HIS 61 2.411 5.193 -4.828 394 HE1 HIS 61 1HE HIS 61 -1.090 7.416 -5.685 395 HE2 HIS 61 2HE HIS 61 0.309 5.426 -6.311 396 H LEU 62 H LEU 62 3.847 4.196 -1.053 397 HA LEU 62 HA LEU 62 4.719 5.451 1.460 398 HB2 LEU 62 2HB LEU 62 4.150 2.725 0.622 399 HB3 LEU 62 1HB LEU 62 5.734 2.868 1.359 400 HG LEU 62 HG LEU 62 4.888 3.274 3.442 401 HD11 LEU 62 1HD1 LEU 62 2.792 4.408 3.919 402 HD12 LEU 62 2HD1 LEU 62 2.361 4.390 2.210 403 HD13 LEU 62 3HD1 LEU 62 3.723 5.364 2.765 404 HD21 LEU 62 3HD2 LEU 62 2.535 1.958 2.106 405 HD22 LEU 62 1HD2 LEU 62 2.903 1.927 3.831 406 HD23 LEU 62 2HD2 LEU 62 3.983 1.131 2.684 407 H ASP 63 H ASP 63 6.934 5.632 1.897 408 HA ASP 63 HA ASP 63 8.527 5.926 -0.522 409 HB2 ASP 63 2HB ASP 63 9.938 7.359 0.713 410 HB3 ASP 63 1HB ASP 63 8.317 7.728 1.287 411 H ARG 64 H ARG 64 11.070 5.687 0.689 412 HA ARG 64 HA ARG 64 11.501 2.941 0.177 413 HB2 ARG 64 2HB ARG 64 13.426 4.874 1.463 414 HB3 ARG 64 1HB ARG 64 13.821 3.422 0.555 415 HG2 ARG 64 2HG ARG 64 12.951 4.444 -1.481 416 HG3 ARG 64 1HG ARG 64 12.527 5.899 -0.578 417 HD2 ARG 64 2HD ARG 64 14.917 6.160 0.021 418 HD3 ARG 64 1HD ARG 64 15.290 4.781 -1.011 419 HE ARG 64 HE ARG 64 13.992 7.197 -2.106 420 HH11 ARG 64 1HH1 ARG 64 16.578 4.831 -2.119 421 HH12 ARG 64 2HH1 ARG 64 17.333 5.471 -3.552 422 HH21 ARG 64 1HH2 ARG 64 14.974 8.043 -3.988 423 HH22 ARG 64 2HH2 ARG 64 16.403 7.287 -4.627 424 H ASP 65 H ASP 65 10.597 4.564 3.034 425 HA ASP 65 HA ASP 65 11.535 2.292 4.665 426 HB2 ASP 65 2HB ASP 65 11.286 5.198 5.472 427 HB3 ASP 65 1HB ASP 65 11.643 3.880 6.583 428 H PHE 66 H PHE 66 8.935 3.108 3.224 429 HA PHE 66 HA PHE 66 6.739 2.645 3.497 430 HB2 PHE 66 2HB PHE 66 7.871 1.273 5.902 431 HB3 PHE 66 1HB PHE 66 6.125 1.424 5.730 432 HD1 PHE 66 2HD PHE 66 5.043 0.527 3.659 433 HD2 PHE 66 1HD PHE 66 9.052 -0.378 4.735 434 HE1 PHE 66 2HE PHE 66 4.997 -1.415 2.162 435 HE2 PHE 66 1HE PHE 66 9.015 -2.328 3.235 436 HZ PHE 66 HZ PHE 66 6.979 -2.838 1.948 437 H ARG 67 H ARG 67 7.898 5.183 4.462 438 HA ARG 67 HA ARG 67 6.057 5.904 6.610 439 HB2 ARG 67 2HB ARG 67 8.440 6.805 6.414 440 HB3 ARG 67 1HB ARG 67 7.856 7.768 5.065 441 HG2 ARG 67 2HG ARG 67 6.273 8.887 6.506 442 HG3 ARG 67 1HG ARG 67 6.770 7.883 7.869 443 HD2 ARG 67 2HD ARG 67 9.106 8.793 7.508 444 HD3 ARG 67 1HD ARG 67 8.376 9.968 6.414 445 HE ARG 67 HE ARG 67 7.118 9.888 9.000 446 HH11 ARG 67 1HH1 ARG 67 9.708 11.273 7.094 447 HH12 ARG 67 2HH1 ARG 67 9.956 12.622 8.164 448 HH21 ARG 67 1HH2 ARG 67 7.440 11.648 10.422 449 HH22 ARG 67 2HH2 ARG 67 8.668 12.821 10.069 450 H VAL 68 H VAL 68 4.184 7.001 6.305 451 HA VAL 68 HA VAL 68 2.970 6.899 3.771 452 HB VAL 68 HB VAL 68 1.587 6.765 5.731 453 HG11 VAL 68 1HG1 VAL 68 2.441 9.584 6.374 454 HG12 VAL 68 2HG1 VAL 68 2.898 8.129 7.259 455 HG13 VAL 68 3HG1 VAL 68 1.215 8.656 7.237 456 HG21 VAL 68 3HG2 VAL 68 0.559 7.711 3.730 457 HG22 VAL 68 1HG2 VAL 68 1.012 9.332 4.255 458 HG23 VAL 68 2HG2 VAL 68 -0.151 8.395 5.193 459 H LEU 69 H LEU 69 3.495 8.095 2.098 460 HA LEU 69 HA LEU 69 4.544 10.770 2.408 461 HB2 LEU 69 2HB LEU 69 3.850 9.196 -0.076 462 HB3 LEU 69 1HB LEU 69 4.659 10.752 -0.063 463 HG LEU 69 HG LEU 69 5.752 8.175 1.068 464 HD11 LEU 69 1HD1 LEU 69 5.733 8.254 -1.373 465 HD12 LEU 69 2HD1 LEU 69 7.375 8.343 -0.736 466 HD13 LEU 69 3HD1 LEU 69 6.581 9.801 -1.332 467 HD21 LEU 69 3HD2 LEU 69 6.965 10.934 0.933 468 HD22 LEU 69 1HD2 LEU 69 7.813 9.466 1.420 469 HD23 LEU 69 2HD2 LEU 69 6.474 10.074 2.394 470 H ASP 70 H ASP 70 1.699 9.270 0.873 471 HA ASP 70 HA ASP 70 -0.077 11.304 1.682 472 HB2 ASP 70 2HB ASP 70 1.289 12.550 -0.069 473 HB3 ASP 70 1HB ASP 70 0.594 11.458 -1.262 474 H THR 71 H THR 71 -2.229 11.005 0.778 475 HA THR 71 HA THR 71 -2.590 8.395 -0.527 476 HB THR 71 HB THR 71 -4.716 8.178 0.855 477 HG1 THR 71 1HG THR 71 -3.741 10.541 1.825 478 HG21 THR 71 3HG2 THR 71 -2.060 8.096 2.284 479 HG22 THR 71 1HG2 THR 71 -2.763 6.806 1.308 480 HG23 THR 71 2HG2 THR 71 -3.533 7.287 2.820 481 H GLU 72 H GLU 72 -3.353 8.838 -2.490 482 HA GLU 72 HA GLU 72 -5.517 10.821 -2.715 483 HB2 GLU 72 2HB GLU 72 -4.951 10.840 -5.166 484 HB3 GLU 72 1HB GLU 72 -3.711 11.497 -4.109 485 HG2 GLU 72 2HG GLU 72 -3.495 8.631 -4.804 486 HG3 GLU 72 1HG GLU 72 -3.187 9.799 -6.089 487 HA PRO 73 HA PRO 73 -8.420 7.599 -3.637 488 HB2 PRO 73 2HB PRO 73 -9.641 9.552 -5.499 489 HB3 PRO 73 1HB PRO 73 -10.351 8.725 -4.109 490 HG2 PRO 73 2HG PRO 73 -9.738 11.319 -3.996 491 HG3 PRO 73 1HG PRO 73 -9.504 10.257 -2.594 492 HD2 PRO 73 2HD PRO 73 -7.484 11.304 -4.543 493 HD3 PRO 73 1HD PRO 73 -7.359 11.117 -2.780 494 H ALA 74 H ALA 74 -8.310 5.958 -5.008 495 HA ALA 74 HA ALA 74 -7.026 6.424 -7.611 496 HB1 ALA 74 1HB ALA 74 -7.225 3.861 -6.032 497 HB2 ALA 74 2HB ALA 74 -5.824 4.932 -6.071 498 HB3 ALA 74 3HB ALA 74 -6.336 4.098 -7.538 499 H ASP 75 H ASP 75 -8.216 6.251 -9.362 500 HA ASP 75 HA ASP 75 -10.742 4.735 -9.223 501 HB2 ASP 75 2HB ASP 75 -11.670 6.199 -10.864 502 HB3 ASP 75 1HB ASP 75 -10.867 7.236 -9.690 503 H GLY 76 H GLY 76 -11.393 4.051 -11.615 504 HA2 GLY 76 2HA GLY 76 -8.992 2.876 -12.871 505 HA3 GLY 76 1HA GLY 76 -10.394 1.883 -12.503 506 H ASP 77 H ASP 77 -10.504 5.186 -13.720 507 HA ASP 77 HA ASP 77 -12.026 4.186 -16.019 508 HB2 ASP 77 2HB ASP 77 -13.009 6.010 -14.669 509 HB3 ASP 77 1HB ASP 77 -11.627 7.030 -15.050 510 H GLY 78 H GLY 78 -8.945 5.376 -15.196 511 HA2 GLY 78 2HA GLY 78 -8.321 6.437 -17.808 512 HA3 GLY 78 1HA GLY 78 -7.215 6.268 -16.455 513 H GLY 79 H GLY 79 -8.674 4.659 -19.196 514 HA2 GLY 79 2HA GLY 79 -7.037 2.284 -18.888 515 HA3 GLY 79 1HA GLY 79 -8.121 2.644 -20.227 516 H LEU 80 H LEU 80 -6.004 1.641 -21.213 517 HA LEU 80 HA LEU 80 -4.515 3.900 -22.286 518 HB2 LEU 80 2HB LEU 80 -2.338 2.871 -21.957 519 HB3 LEU 80 1HB LEU 80 -3.122 3.168 -20.422 520 HG LEU 80 HG LEU 80 -3.167 0.447 -21.714 521 HD11 LEU 80 1HD1 LEU 80 -1.103 1.574 -19.825 522 HD12 LEU 80 2HD1 LEU 80 -0.840 1.106 -21.505 523 HD13 LEU 80 3HD1 LEU 80 -1.241 -0.118 -20.302 524 HD21 LEU 80 3HD2 LEU 80 -4.761 0.872 -19.892 525 HD22 LEU 80 1HD2 LEU 80 -3.426 1.353 -18.847 526 HD23 LEU 80 2HD2 LEU 80 -3.535 -0.308 -19.429 527 H GLU 81 H GLU 81 -4.770 3.755 -24.378 528 HA GLU 81 HA GLU 81 -3.853 1.572 -25.900 529 HB2 GLU 81 2HB GLU 81 -6.024 0.598 -25.118 530 HB3 GLU 81 1HB GLU 81 -6.862 1.919 -25.924 531 HG2 GLU 81 2HG GLU 81 -6.037 1.182 -28.070 532 HG3 GLU 81 1HG GLU 81 -5.079 -0.082 -27.299 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 4.269 -0.541 16.399 2 H2 GLY 1 2HT GLY 1 2.967 0.410 16.928 3 H3 GLY 1 3HT GLY 1 4.553 0.836 17.354 4 HA2 GLY 1 1HA GLY 1 3.422 0.849 14.613 5 HA3 GLY 1 2HA GLY 1 3.741 2.270 15.600 6 H ALA 2 H ALA 2 5.478 -0.666 14.540 7 HA ALA 2 HA ALA 2 7.849 1.022 14.077 8 HB1 ALA 2 1HB ALA 2 9.164 -1.024 14.201 9 HB2 ALA 2 2HB ALA 2 7.693 -1.980 14.377 10 HB3 ALA 2 3HB ALA 2 8.166 -0.851 15.646 11 H MET 3 H MET 3 9.241 0.170 12.200 12 HA MET 3 HA MET 3 7.674 0.197 9.822 13 HB2 MET 3 2HB MET 3 10.618 -0.256 10.309 14 HB3 MET 3 1HB MET 3 9.908 -0.240 8.704 15 HG2 MET 3 2HG MET 3 10.848 1.896 9.089 16 HG3 MET 3 1HG MET 3 9.096 2.077 9.172 17 HE1 MET 3 3HE MET 3 9.345 4.441 10.324 18 HE2 MET 3 1HE MET 3 11.099 4.294 10.209 19 HE3 MET 3 2HE MET 3 10.350 4.735 11.742 20 H ALA 4 H ALA 4 6.757 -1.462 8.822 21 HA ALA 4 HA ALA 4 7.110 -4.103 9.913 22 HB1 ALA 4 1HB ALA 4 4.870 -3.261 9.426 23 HB2 ALA 4 2HB ALA 4 5.223 -4.726 8.509 24 HB3 ALA 4 3HB ALA 4 5.282 -3.154 7.714 25 H PHE 5 H PHE 5 9.430 -4.014 9.077 26 HA PHE 5 HA PHE 5 9.556 -5.088 6.354 27 HB2 PHE 5 2HB PHE 5 11.732 -4.287 8.296 28 HB3 PHE 5 1HB PHE 5 12.047 -5.061 6.747 29 HD1 PHE 5 2HD PHE 5 10.865 -3.856 4.693 30 HD2 PHE 5 1HD PHE 5 11.841 -1.999 8.395 31 HE1 PHE 5 2HE PHE 5 10.846 -1.655 3.591 32 HE2 PHE 5 1HE PHE 5 11.820 0.203 7.301 33 HZ PHE 5 HZ PHE 5 11.325 0.377 4.897 34 H ASP 6 H ASP 6 9.305 -7.169 6.120 35 HA ASP 6 HA ASP 6 9.050 -9.377 6.540 36 HB2 ASP 6 2HB ASP 6 11.523 -9.285 6.938 37 HB3 ASP 6 1HB ASP 6 11.189 -9.076 8.656 38 H GLY 7 H GLY 7 7.085 -9.655 7.324 39 HA2 GLY 7 2HA GLY 7 6.483 -8.861 10.067 40 HA3 GLY 7 1HA GLY 7 5.312 -9.300 8.832 41 H GLU 8 H GLU 8 4.485 -11.307 8.858 42 HA GLU 8 HA GLU 8 5.648 -13.141 10.838 43 HB2 GLU 8 2HB GLU 8 3.290 -12.239 11.164 44 HB3 GLU 8 1HB GLU 8 2.823 -13.217 9.781 45 HG2 GLU 8 2HG GLU 8 3.420 -15.233 10.926 46 HG3 GLU 8 1HG GLU 8 4.099 -14.318 12.273 47 H ASP 9 H ASP 9 4.817 -15.516 10.286 48 HA ASP 9 HA ASP 9 6.344 -16.251 7.985 49 HB2 ASP 9 2HB ASP 9 6.411 -17.539 10.071 50 HB3 ASP 9 1HB ASP 9 4.705 -17.928 9.901 51 H GLU 10 H GLU 10 3.112 -15.395 8.343 52 HA GLU 10 HA GLU 10 1.857 -17.222 6.588 53 HB2 GLU 10 2HB GLU 10 1.109 -14.364 7.252 54 HB3 GLU 10 1HB GLU 10 0.072 -15.512 6.417 55 HG2 GLU 10 2HG GLU 10 1.118 -15.819 9.221 56 HG3 GLU 10 1HG GLU 10 -0.504 -15.292 8.780 57 H VAL 11 H VAL 11 2.891 -17.537 4.674 58 HA VAL 11 HA VAL 11 3.884 -15.298 3.149 59 HB VAL 11 HB VAL 11 3.792 -18.221 2.380 60 HG11 VAL 11 1HG1 VAL 11 5.328 -15.910 1.202 61 HG12 VAL 11 2HG1 VAL 11 4.000 -16.785 0.442 62 HG13 VAL 11 3HG1 VAL 11 5.530 -17.604 0.753 63 HG21 VAL 11 3HG2 VAL 11 6.019 -16.594 3.598 64 HG22 VAL 11 1HG2 VAL 11 6.164 -18.253 3.017 65 HG23 VAL 11 2HG2 VAL 11 5.117 -17.886 4.387 66 H THR 12 H THR 12 1.888 -14.206 2.810 67 HA THR 12 HA THR 12 0.244 -15.374 0.681 68 HB THR 12 HB THR 12 -0.953 -14.320 2.565 69 HG1 THR 12 1HG THR 12 -1.373 -12.562 0.392 70 HG21 THR 12 3HG2 THR 12 0.389 -11.772 1.654 71 HG22 THR 12 1HG2 THR 12 0.691 -12.616 3.172 72 HG23 THR 12 2HG2 THR 12 -0.884 -11.884 2.868 73 H GLY 13 H GLY 13 2.891 -13.438 1.227 74 HA2 GLY 13 2HA GLY 13 3.564 -12.925 -1.389 75 HA3 GLY 13 1HA GLY 13 2.653 -11.516 -0.849 76 HA PRO 14 HA PRO 14 7.242 -12.124 0.886 77 HB2 PRO 14 2HB PRO 14 8.084 -10.466 -1.418 78 HB3 PRO 14 1HB PRO 14 8.868 -11.873 -0.696 79 HG2 PRO 14 2HG PRO 14 7.580 -11.993 -3.052 80 HG3 PRO 14 1HG PRO 14 7.631 -13.363 -1.932 81 HD2 PRO 14 2HD PRO 14 5.415 -11.489 -2.558 82 HD3 PRO 14 1HD PRO 14 5.351 -13.194 -2.075 83 H ASP 15 H ASP 15 6.834 -9.239 -1.122 84 HA ASP 15 HA ASP 15 7.118 -7.534 1.218 85 HB2 ASP 15 2HB ASP 15 7.128 -5.696 -0.487 86 HB3 ASP 15 1HB ASP 15 8.390 -6.899 -0.732 87 H ALA 16 H ALA 16 4.696 -8.815 -0.808 88 HA ALA 16 HA ALA 16 2.696 -6.875 -0.661 89 HB1 ALA 16 1HB ALA 16 1.140 -8.635 -1.219 90 HB2 ALA 16 2HB ALA 16 2.312 -9.863 -0.740 91 HB3 ALA 16 3HB ALA 16 2.627 -8.845 -2.145 92 H ASP 17 H ASP 17 3.313 -9.664 1.470 93 HA ASP 17 HA ASP 17 1.144 -9.290 3.208 94 HB2 ASP 17 2HB ASP 17 2.254 -11.339 3.441 95 HB3 ASP 17 1HB ASP 17 3.840 -10.581 3.538 96 H ARG 18 H ARG 18 4.330 -7.841 3.203 97 HA ARG 18 HA ARG 18 4.296 -6.953 5.878 98 HB2 ARG 18 2HB ARG 18 5.889 -5.647 3.686 99 HB3 ARG 18 1HB ARG 18 6.305 -5.818 5.384 100 HG2 ARG 18 2HG ARG 18 6.322 -7.933 3.251 101 HG3 ARG 18 1HG ARG 18 7.682 -7.315 4.186 102 HD2 ARG 18 2HD ARG 18 6.564 -8.252 6.235 103 HD3 ARG 18 1HD ARG 18 5.408 -9.036 5.159 104 HE ARG 18 HE ARG 18 8.212 -9.575 4.605 105 HH11 ARG 18 1HH1 ARG 18 5.228 -10.731 6.077 106 HH12 ARG 18 2HH1 ARG 18 5.852 -12.339 6.343 107 HH21 ARG 18 1HH2 ARG 18 8.993 -11.685 4.917 108 HH22 ARG 18 2HH2 ARG 18 7.987 -12.881 5.677 109 H ALA 19 H ALA 19 3.511 -5.338 2.814 110 HA ALA 19 HA ALA 19 2.823 -2.881 4.177 111 HB1 ALA 19 1HB ALA 19 2.277 -2.033 1.960 112 HB2 ALA 19 2HB ALA 19 2.487 -3.646 1.283 113 HB3 ALA 19 3HB ALA 19 3.868 -2.795 1.972 114 H ARG 20 H ARG 20 1.184 -5.700 2.959 115 HA ARG 20 HA ARG 20 -1.430 -4.629 2.816 116 HB2 ARG 20 2HB ARG 20 -0.889 -6.724 1.725 117 HB3 ARG 20 1HB ARG 20 -0.484 -7.462 3.268 118 HG2 ARG 20 2HG ARG 20 -2.826 -7.259 3.969 119 HG3 ARG 20 1HG ARG 20 -3.217 -6.539 2.403 120 HD2 ARG 20 2HD ARG 20 -2.727 -8.530 1.247 121 HD3 ARG 20 1HD ARG 20 -1.912 -9.235 2.642 122 HE ARG 20 HE ARG 20 -4.681 -8.670 3.137 123 HH11 ARG 20 1HH1 ARG 20 -2.510 -10.985 1.635 124 HH12 ARG 20 2HH1 ARG 20 -3.543 -12.343 1.953 125 HH21 ARG 20 1HH2 ARG 20 -6.050 -10.451 3.514 126 HH22 ARG 20 2HH2 ARG 20 -5.563 -12.046 3.014 127 H ALA 21 H ALA 21 0.431 -6.099 5.420 128 HA ALA 21 HA ALA 21 -1.604 -6.228 7.354 129 HB1 ALA 21 1HB ALA 21 1.350 -5.789 7.756 130 HB2 ALA 21 2HB ALA 21 0.541 -7.351 7.625 131 HB3 ALA 21 3HB ALA 21 0.207 -6.295 8.996 132 H ALA 22 H ALA 22 0.462 -3.596 6.299 133 HA ALA 22 HA ALA 22 -0.335 -1.779 8.363 134 HB1 ALA 22 1HB ALA 22 1.816 -1.572 7.162 135 HB2 ALA 22 2HB ALA 22 0.854 -0.097 7.091 136 HB3 ALA 22 3HB ALA 22 0.928 -1.167 5.693 137 H ALA 23 H ALA 23 -1.360 -2.495 5.078 138 HA ALA 23 HA ALA 23 -3.139 -0.397 4.653 139 HB1 ALA 23 1HB ALA 23 -4.218 -1.873 3.020 140 HB2 ALA 23 2HB ALA 23 -3.331 -3.248 3.685 141 HB3 ALA 23 3HB ALA 23 -2.459 -1.934 2.890 142 H VAL 24 H VAL 24 -3.844 -3.662 5.899 143 HA VAL 24 HA VAL 24 -6.562 -3.077 6.482 144 HB VAL 24 HB VAL 24 -5.628 -5.370 6.113 145 HG11 VAL 24 1HG1 VAL 24 -3.634 -5.226 7.470 146 HG12 VAL 24 2HG1 VAL 24 -4.650 -6.561 8.015 147 HG13 VAL 24 3HG1 VAL 24 -4.611 -5.052 8.929 148 HG21 VAL 24 3HG2 VAL 24 -7.080 -6.480 7.748 149 HG22 VAL 24 1HG2 VAL 24 -7.861 -5.077 7.017 150 HG23 VAL 24 2HG2 VAL 24 -7.207 -4.970 8.651 151 H GLN 25 H GLN 25 -3.718 -2.166 8.012 152 HA GLN 25 HA GLN 25 -4.827 -2.003 10.692 153 HB2 GLN 25 2HB GLN 25 -2.282 -2.301 9.720 154 HB3 GLN 25 1HB GLN 25 -2.315 -0.582 10.088 155 HG2 GLN 25 2HG GLN 25 -1.444 -1.763 11.968 156 HG3 GLN 25 1HG GLN 25 -3.041 -1.145 12.387 157 HE21 GLN 25 1HE2 GLN 25 -2.569 -3.927 10.323 158 HE22 GLN 25 2HE2 GLN 25 -3.196 -5.097 11.441 159 H ALA 26 H ALA 26 -4.497 -0.065 7.861 160 HA ALA 26 HA ALA 26 -5.078 2.394 9.369 161 HB1 ALA 26 1HB ALA 26 -3.010 2.416 8.037 162 HB2 ALA 26 2HB ALA 26 -4.177 3.617 7.477 163 HB3 ALA 26 3HB ALA 26 -3.962 2.112 6.583 164 H VAL 27 H VAL 27 -6.931 0.200 8.245 165 HA VAL 27 HA VAL 27 -8.868 2.132 7.228 166 HB VAL 27 HB VAL 27 -7.927 0.995 5.249 167 HG11 VAL 27 1HG1 VAL 27 -7.328 -1.146 6.174 168 HG12 VAL 27 2HG1 VAL 27 -8.452 -1.376 4.834 169 HG13 VAL 27 3HG1 VAL 27 -9.021 -1.518 6.497 170 HG21 VAL 27 3HG2 VAL 27 -10.058 0.328 4.237 171 HG22 VAL 27 1HG2 VAL 27 -10.196 1.820 5.168 172 HG23 VAL 27 2HG2 VAL 27 -10.798 0.303 5.838 173 HA PRO 28 HA PRO 28 -11.147 0.036 10.410 174 HB2 PRO 28 2HB PRO 28 -13.433 1.465 10.207 175 HB3 PRO 28 1HB PRO 28 -11.968 2.108 10.956 176 HG2 PRO 28 2HG PRO 28 -13.057 2.576 8.211 177 HG3 PRO 28 1HG PRO 28 -12.313 3.729 9.333 178 HD2 PRO 28 2HD PRO 28 -10.991 2.597 7.226 179 HD3 PRO 28 1HD PRO 28 -10.186 3.144 8.711 180 H GLY 29 H GLY 29 -11.147 -1.913 9.051 181 HA2 GLY 29 2HA GLY 29 -12.380 -3.733 8.367 182 HA3 GLY 29 1HA GLY 29 -13.832 -2.803 8.701 183 H GLY 30 H GLY 30 -11.389 -1.646 6.502 184 HA2 GLY 30 2HA GLY 30 -13.345 -1.862 4.326 185 HA3 GLY 30 1HA GLY 30 -11.944 -0.798 4.350 186 H THR 31 H THR 31 -12.199 -2.071 2.090 187 HA THR 31 HA THR 31 -11.031 -4.693 2.102 188 HB THR 31 HB THR 31 -11.543 -2.836 -0.231 189 HG1 THR 31 1HG THR 31 -13.234 -4.904 -0.101 190 HG21 THR 31 3HG2 THR 31 -11.473 -4.893 -1.581 191 HG22 THR 31 1HG2 THR 31 -11.036 -5.812 -0.142 192 HG23 THR 31 2HG2 THR 31 -9.933 -4.592 -0.776 193 H ALA 32 H ALA 32 -8.973 -4.826 2.718 194 HA ALA 32 HA ALA 32 -7.006 -2.937 1.667 195 HB1 ALA 32 1HB ALA 32 -6.657 -5.148 3.691 196 HB2 ALA 32 2HB ALA 32 -6.940 -3.448 4.069 197 HB3 ALA 32 3HB ALA 32 -5.454 -3.936 3.249 198 H GLY 33 H GLY 33 -5.876 -3.429 -0.097 199 HA2 GLY 33 2HA GLY 33 -6.038 -6.196 -1.080 200 HA3 GLY 33 1HA GLY 33 -5.742 -4.777 -2.072 201 H GLU 34 H GLU 34 -4.184 -7.108 -2.178 202 HA GLU 34 HA GLU 34 -1.765 -6.640 -0.698 203 HB2 GLU 34 2HB GLU 34 -2.232 -8.504 -3.031 204 HB3 GLU 34 1HB GLU 34 -0.862 -8.535 -1.926 205 HG2 GLU 34 2HG GLU 34 -2.618 -8.874 -0.087 206 HG3 GLU 34 1HG GLU 34 -3.710 -9.279 -1.409 207 H VAL 35 H VAL 35 0.278 -6.169 -1.679 208 HA VAL 35 HA VAL 35 0.011 -4.407 -4.016 209 HB VAL 35 HB VAL 35 1.502 -2.783 -2.902 210 HG11 VAL 35 1HG1 VAL 35 -1.013 -3.418 -1.364 211 HG12 VAL 35 2HG1 VAL 35 -0.901 -2.431 -2.823 212 HG13 VAL 35 3HG1 VAL 35 -0.146 -1.883 -1.325 213 HG21 VAL 35 3HG2 VAL 35 1.107 -4.516 -0.466 214 HG22 VAL 35 1HG2 VAL 35 1.920 -2.953 -0.507 215 HG23 VAL 35 2HG2 VAL 35 2.612 -4.329 -1.367 216 H GLU 36 H GLU 36 1.921 -4.038 -5.203 217 HA GLU 36 HA GLU 36 4.128 -5.891 -4.630 218 HB2 GLU 36 2HB GLU 36 4.761 -5.692 -6.982 219 HB3 GLU 36 1HB GLU 36 3.106 -6.261 -6.827 220 HG2 GLU 36 2HG GLU 36 2.231 -4.150 -7.462 221 HG3 GLU 36 1HG GLU 36 3.817 -3.387 -7.343 222 H THR 37 H THR 37 6.307 -5.047 -5.066 223 HA THR 37 HA THR 37 6.631 -2.494 -3.836 224 HB THR 37 HB THR 37 8.655 -4.317 -5.149 225 HG1 THR 37 1HG THR 37 7.334 -4.880 -3.107 226 HG21 THR 37 3HG2 THR 37 9.087 -1.970 -3.301 227 HG22 THR 37 1HG2 THR 37 9.502 -2.028 -5.014 228 HG23 THR 37 2HG2 THR 37 10.335 -3.080 -3.868 229 H GLU 38 H GLU 38 6.308 -0.650 -4.869 230 HA GLU 38 HA GLU 38 6.393 -0.352 -7.688 231 HB2 GLU 38 2HB GLU 38 6.433 1.767 -5.526 232 HB3 GLU 38 1HB GLU 38 6.138 2.063 -7.234 233 HG2 GLU 38 2HG GLU 38 4.143 0.581 -7.077 234 HG3 GLU 38 1HG GLU 38 4.407 0.497 -5.336 235 H THR 39 H THR 39 7.964 0.548 -8.993 236 HA THR 39 HA THR 39 10.560 1.087 -7.756 237 HB THR 39 HB THR 39 11.576 -0.324 -9.674 238 HG1 THR 39 1HG THR 39 8.951 -1.440 -9.505 239 HG21 THR 39 3HG2 THR 39 10.169 -1.690 -7.375 240 HG22 THR 39 1HG2 THR 39 11.759 -0.927 -7.307 241 HG23 THR 39 2HG2 THR 39 11.509 -2.359 -8.308 242 H GLY 40 H GLY 40 12.168 1.763 -9.540 243 HA2 GLY 40 2HA GLY 40 12.336 2.680 -11.807 244 HA3 GLY 40 1HA GLY 40 10.750 3.391 -11.548 245 H GLU 41 H GLU 41 10.701 5.436 -10.981 246 HA GLU 41 HA GLU 41 13.052 6.597 -9.667 247 HB2 GLU 41 2HB GLU 41 12.780 8.603 -11.138 248 HB3 GLU 41 1HB GLU 41 13.300 7.152 -11.985 249 HG2 GLU 41 2HG GLU 41 10.889 6.786 -12.597 250 HG3 GLU 41 1HG GLU 41 10.574 8.404 -11.973 251 H GLY 42 H GLY 42 12.465 8.960 -8.995 252 HA2 GLY 42 2HA GLY 42 10.819 10.393 -8.021 253 HA3 GLY 42 1HA GLY 42 9.728 9.013 -7.926 254 H ALA 43 H ALA 43 9.321 9.011 -5.753 255 HA ALA 43 HA ALA 43 11.650 8.396 -4.062 256 HB1 ALA 43 1HB ALA 43 10.908 10.667 -3.600 257 HB2 ALA 43 2HB ALA 43 10.606 9.612 -2.218 258 HB3 ALA 43 3HB ALA 43 9.276 10.080 -3.278 259 H ALA 44 H ALA 44 8.630 7.431 -5.198 260 HA ALA 44 HA ALA 44 7.758 5.980 -2.881 261 HB1 ALA 44 1HB ALA 44 6.140 6.867 -4.474 262 HB2 ALA 44 2HB ALA 44 6.001 5.113 -4.344 263 HB3 ALA 44 3HB ALA 44 6.805 5.834 -5.739 264 H ALA 45 H ALA 45 8.155 3.935 -2.346 265 HA ALA 45 HA ALA 45 9.477 2.182 -4.308 266 HB1 ALA 45 1HB ALA 45 10.921 1.309 -2.545 267 HB2 ALA 45 2HB ALA 45 10.206 2.435 -1.390 268 HB3 ALA 45 3HB ALA 45 11.151 3.045 -2.748 269 H TYR 46 H TYR 46 7.296 2.555 -1.613 270 HA TYR 46 HA TYR 46 6.280 -0.145 -2.161 271 HB2 TYR 46 2HB TYR 46 6.750 1.096 0.551 272 HB3 TYR 46 1HB TYR 46 5.669 -0.272 0.306 273 HD1 TYR 46 1HD TYR 46 6.598 -2.446 -0.482 274 HD2 TYR 46 2HD TYR 46 9.108 0.809 0.601 275 HE1 TYR 46 1HE TYR 46 8.504 -3.989 -0.297 276 HE2 TYR 46 2HE TYR 46 11.018 -0.718 0.795 277 HH TYR 46 HH TYR 46 11.514 -3.041 1.100 278 H GLY 47 H GLY 47 4.014 -0.423 -1.679 279 HA2 GLY 47 2HA GLY 47 2.549 2.132 -1.560 280 HA3 GLY 47 1HA GLY 47 2.159 0.918 -2.772 281 H VAL 48 H VAL 48 0.634 2.129 -0.497 282 HA VAL 48 HA VAL 48 -0.332 -0.433 0.592 283 HB VAL 48 HB VAL 48 -0.164 2.227 2.029 284 HG11 VAL 48 1HG1 VAL 48 -2.286 1.117 2.528 285 HG12 VAL 48 2HG1 VAL 48 -1.217 1.115 3.930 286 HG13 VAL 48 3HG1 VAL 48 -1.417 -0.351 2.971 287 HG21 VAL 48 3HG2 VAL 48 1.233 1.012 3.628 288 HG22 VAL 48 1HG2 VAL 48 1.933 0.988 2.010 289 HG23 VAL 48 2HG2 VAL 48 1.107 -0.439 2.635 290 H LEU 49 H LEU 49 -2.191 -0.771 -0.550 291 HA LEU 49 HA LEU 49 -3.827 1.588 -1.142 292 HB2 LEU 49 2HB LEU 49 -4.832 0.381 -2.946 293 HB3 LEU 49 1HB LEU 49 -3.093 0.245 -3.079 294 HG LEU 49 HG LEU 49 -3.630 -2.056 -1.766 295 HD11 LEU 49 1HD1 LEU 49 -5.622 -3.075 -2.752 296 HD12 LEU 49 2HD1 LEU 49 -6.029 -1.544 -3.527 297 HD13 LEU 49 3HD1 LEU 49 -6.042 -1.673 -1.768 298 HD21 LEU 49 3HD2 LEU 49 -3.774 -1.611 -4.748 299 HD22 LEU 49 1HD2 LEU 49 -3.459 -3.153 -3.952 300 HD23 LEU 49 2HD2 LEU 49 -2.305 -1.829 -3.798 301 H VAL 50 H VAL 50 -5.610 1.936 -0.103 302 HA VAL 50 HA VAL 50 -6.944 -0.319 1.227 303 HB VAL 50 HB VAL 50 -7.664 1.376 2.991 304 HG11 VAL 50 1HG1 VAL 50 -6.036 -0.354 3.460 305 HG12 VAL 50 2HG1 VAL 50 -5.560 1.149 4.250 306 HG13 VAL 50 3HG1 VAL 50 -4.749 0.636 2.768 307 HG21 VAL 50 3HG2 VAL 50 -6.215 3.307 3.330 308 HG22 VAL 50 1HG2 VAL 50 -7.028 3.407 1.769 309 HG23 VAL 50 2HG2 VAL 50 -5.336 2.920 1.852 310 H THR 51 H THR 51 -8.907 -0.631 0.512 311 HA THR 51 HA THR 51 -10.242 1.479 -0.996 312 HB THR 51 HB THR 51 -11.181 -1.366 -0.594 313 HG1 THR 51 1HG THR 51 -9.193 -1.532 -1.575 314 HG21 THR 51 3HG2 THR 51 -12.871 0.175 -1.443 315 HG22 THR 51 1HG2 THR 51 -12.374 -0.951 -2.707 316 HG23 THR 51 2HG2 THR 51 -11.769 0.707 -2.713 317 H ARG 52 H ARG 52 -11.251 2.869 0.295 318 HA ARG 52 HA ARG 52 -12.405 2.214 2.798 319 HB2 ARG 52 2HB ARG 52 -11.991 4.575 1.229 320 HB3 ARG 52 1HB ARG 52 -13.677 4.525 1.722 321 HG2 ARG 52 2HG ARG 52 -12.442 5.764 3.348 322 HG3 ARG 52 1HG ARG 52 -12.930 4.232 4.069 323 HD2 ARG 52 2HD ARG 52 -10.691 3.327 3.621 324 HD3 ARG 52 1HD ARG 52 -10.214 4.878 2.931 325 HE ARG 52 HE ARG 52 -11.145 5.447 5.465 326 HH11 ARG 52 1HH1 ARG 52 -8.554 3.533 4.081 327 HH12 ARG 52 2HH1 ARG 52 -7.546 3.646 5.491 328 HH21 ARG 52 1HH2 ARG 52 -9.815 5.605 7.315 329 HH22 ARG 52 2HH2 ARG 52 -8.257 4.824 7.325 330 HA PRO 53 HA PRO 53 -16.160 0.225 1.571 331 HB2 PRO 53 2HB PRO 53 -17.376 1.640 3.882 332 HB3 PRO 53 1HB PRO 53 -17.325 -0.089 3.518 333 HG2 PRO 53 2HG PRO 53 -15.773 0.936 5.423 334 HG3 PRO 53 1HG PRO 53 -15.167 -0.333 4.342 335 HD2 PRO 53 2HD PRO 53 -14.638 2.611 4.294 336 HD3 PRO 53 1HD PRO 53 -13.526 1.261 3.992 337 H ASP 54 H ASP 54 -15.806 3.592 1.745 338 HA ASP 54 HA ASP 54 -18.437 4.356 0.934 339 HB2 ASP 54 2HB ASP 54 -15.884 5.927 0.547 340 HB3 ASP 54 1HB ASP 54 -17.525 6.555 0.664 341 H GLY 55 H GLY 55 -15.806 2.919 -0.637 342 HA2 GLY 55 2HA GLY 55 -16.022 2.032 -2.828 343 HA3 GLY 55 1HA GLY 55 -17.150 3.323 -3.212 344 H THR 56 H THR 56 -14.049 3.815 -1.642 345 HA THR 56 HA THR 56 -13.012 4.955 -4.139 346 HB THR 56 HB THR 56 -13.865 6.790 -2.692 347 HG1 THR 56 1HG THR 56 -12.214 8.016 -3.269 348 HG21 THR 56 3HG2 THR 56 -12.669 7.361 -0.626 349 HG22 THR 56 1HG2 THR 56 -11.728 5.874 -0.765 350 HG23 THR 56 2HG2 THR 56 -13.471 5.794 -0.500 351 H ARG 57 H ARG 57 -10.788 4.755 -4.439 352 HA ARG 57 HA ARG 57 -9.508 2.858 -2.590 353 HB2 ARG 57 2HB ARG 57 -9.896 2.179 -5.013 354 HB3 ARG 57 1HB ARG 57 -8.699 3.389 -5.450 355 HG2 ARG 57 2HG ARG 57 -7.062 2.209 -3.996 356 HG3 ARG 57 1HG ARG 57 -8.269 0.946 -3.746 357 HD2 ARG 57 2HD ARG 57 -7.129 0.025 -5.490 358 HD3 ARG 57 1HD ARG 57 -8.311 0.970 -6.391 359 HE ARG 57 HE ARG 57 -6.112 2.612 -6.004 360 HH11 ARG 57 1HH1 ARG 57 -6.935 -0.328 -7.703 361 HH12 ARG 57 2HH1 ARG 57 -5.599 -0.223 -8.815 362 HH21 ARG 57 1HH2 ARG 57 -4.346 2.789 -7.480 363 HH22 ARG 57 2HH2 ARG 57 -4.143 1.560 -8.702 364 H VAL 58 H VAL 58 -7.972 3.667 -1.352 365 HA VAL 58 HA VAL 58 -6.514 6.048 -2.293 366 HB VAL 58 HB VAL 58 -6.897 5.101 0.555 367 HG11 VAL 58 1HG1 VAL 58 -5.648 7.625 -0.523 368 HG12 VAL 58 2HG1 VAL 58 -4.789 6.282 0.227 369 HG13 VAL 58 3HG1 VAL 58 -5.911 7.253 1.180 370 HG21 VAL 58 3HG2 VAL 58 -8.352 7.043 0.825 371 HG22 VAL 58 1HG2 VAL 58 -8.980 5.943 -0.403 372 HG23 VAL 58 2HG2 VAL 58 -8.160 7.430 -0.885 373 H GLU 59 H GLU 59 -4.552 5.558 -3.041 374 HA GLU 59 HA GLU 59 -3.134 3.302 -1.807 375 HB2 GLU 59 2HB GLU 59 -1.641 3.437 -3.834 376 HB3 GLU 59 1HB GLU 59 -3.296 2.937 -4.144 377 HG2 GLU 59 2HG GLU 59 -3.841 5.149 -4.961 378 HG3 GLU 59 1HG GLU 59 -2.215 5.715 -4.579 379 H VAL 60 H VAL 60 -1.826 3.843 -0.274 380 HA VAL 60 HA VAL 60 -0.624 6.489 -0.170 381 HB VAL 60 HB VAL 60 -0.346 4.216 1.804 382 HG11 VAL 60 1HG1 VAL 60 0.270 5.990 3.381 383 HG12 VAL 60 2HG1 VAL 60 0.163 7.175 2.079 384 HG13 VAL 60 3HG1 VAL 60 1.385 5.905 2.017 385 HG21 VAL 60 3HG2 VAL 60 -2.698 4.841 1.511 386 HG22 VAL 60 1HG2 VAL 60 -2.291 6.520 1.854 387 HG23 VAL 60 2HG2 VAL 60 -2.096 5.293 3.104 388 H HIS 61 H HIS 61 1.358 6.911 -0.822 389 HA HIS 61 HA HIS 61 3.012 4.690 -1.761 390 HB2 HIS 61 2HB HIS 61 3.142 7.656 -2.289 391 HB3 HIS 61 1HB HIS 61 4.264 6.487 -2.964 392 HD1 HIS 61 1HD HIS 61 1.670 8.388 -4.181 393 HD2 HIS 61 2HD HIS 61 2.270 4.264 -4.148 394 HE1 HIS 61 1HE HIS 61 0.210 7.468 -6.004 395 HE2 HIS 61 2HE HIS 61 0.409 4.972 -5.806 396 H LEU 62 H LEU 62 4.715 4.045 -0.684 397 HA LEU 62 HA LEU 62 5.760 5.734 1.500 398 HB2 LEU 62 2HB LEU 62 5.455 2.774 1.151 399 HB3 LEU 62 1HB LEU 62 6.715 3.389 2.195 400 HG LEU 62 HG LEU 62 5.251 4.041 3.830 401 HD11 LEU 62 1HD1 LEU 62 2.904 4.632 3.487 402 HD12 LEU 62 2HD1 LEU 62 3.071 4.292 1.764 403 HD13 LEU 62 3HD1 LEU 62 3.970 5.623 2.490 404 HD21 LEU 62 3HD2 LEU 62 3.492 2.367 4.056 405 HD22 LEU 62 1HD2 LEU 62 5.012 1.651 3.515 406 HD23 LEU 62 2HD2 LEU 62 3.704 1.926 2.362 407 H ASP 63 H ASP 63 8.036 5.745 1.861 408 HA ASP 63 HA ASP 63 9.586 5.300 -0.569 409 HB2 ASP 63 2HB ASP 63 11.376 6.541 0.539 410 HB3 ASP 63 1HB ASP 63 9.870 7.446 0.609 411 H ARG 64 H ARG 64 12.084 4.898 0.619 412 HA ARG 64 HA ARG 64 12.167 2.084 0.622 413 HB2 ARG 64 2HB ARG 64 14.367 3.673 1.866 414 HB3 ARG 64 1HB ARG 64 14.463 2.310 0.762 415 HG2 ARG 64 2HG ARG 64 14.303 3.616 -1.088 416 HG3 ARG 64 1HG ARG 64 13.313 4.836 -0.279 417 HD2 ARG 64 2HD ARG 64 16.282 4.402 -0.042 418 HD3 ARG 64 1HD ARG 64 15.441 5.819 -0.673 419 HE ARG 64 HE ARG 64 14.917 5.125 2.104 420 HH11 ARG 64 1HH1 ARG 64 16.742 7.122 -0.126 421 HH12 ARG 64 2HH1 ARG 64 17.112 8.323 1.065 422 HH21 ARG 64 1HH2 ARG 64 15.387 6.680 3.658 423 HH22 ARG 64 2HH2 ARG 64 16.321 8.091 3.225 424 H ASP 65 H ASP 65 11.844 4.424 3.182 425 HA ASP 65 HA ASP 65 12.534 2.406 5.199 426 HB2 ASP 65 2HB ASP 65 12.218 5.405 5.414 427 HB3 ASP 65 1HB ASP 65 12.589 4.342 6.769 428 H PHE 66 H PHE 66 9.926 2.889 3.606 429 HA PHE 66 HA PHE 66 7.782 2.217 3.962 430 HB2 PHE 66 2HB PHE 66 9.183 0.900 5.906 431 HB3 PHE 66 1HB PHE 66 8.024 1.798 6.873 432 HD1 PHE 66 2HD PHE 66 5.569 1.459 6.452 433 HD2 PHE 66 1HD PHE 66 8.564 -1.010 4.704 434 HE1 PHE 66 2HE PHE 66 3.876 -0.265 5.995 435 HE2 PHE 66 1HE PHE 66 6.874 -2.741 4.244 436 HZ PHE 66 HZ PHE 66 4.529 -2.365 4.887 437 H ARG 67 H ARG 67 8.844 5.004 4.611 438 HA ARG 67 HA ARG 67 6.860 5.952 6.522 439 HB2 ARG 67 2HB ARG 67 9.049 6.905 6.752 440 HB3 ARG 67 1HB ARG 67 9.107 7.324 5.046 441 HG2 ARG 67 2HG ARG 67 7.276 8.930 5.403 442 HG3 ARG 67 1HG ARG 67 7.298 8.539 7.124 443 HD2 ARG 67 2HD ARG 67 9.671 9.591 5.599 444 HD3 ARG 67 1HD ARG 67 8.551 10.611 6.502 445 HE ARG 67 HE ARG 67 9.231 9.269 8.499 446 HH11 ARG 67 1HH1 ARG 67 11.350 9.558 5.717 447 HH12 ARG 67 2HH1 ARG 67 12.810 9.340 6.644 448 HH21 ARG 67 1HH2 ARG 67 11.144 8.986 9.719 449 HH22 ARG 67 2HH2 ARG 67 12.690 9.009 8.925 450 H VAL 68 H VAL 68 5.200 7.372 6.018 451 HA VAL 68 HA VAL 68 4.021 7.088 3.465 452 HB VAL 68 HB VAL 68 2.601 7.377 5.388 453 HG11 VAL 68 1HG1 VAL 68 3.875 10.088 5.717 454 HG12 VAL 68 2HG1 VAL 68 4.030 8.711 6.808 455 HG13 VAL 68 3HG1 VAL 68 2.470 9.510 6.611 456 HG21 VAL 68 3HG2 VAL 68 2.414 9.799 3.599 457 HG22 VAL 68 1HG2 VAL 68 1.118 9.159 4.611 458 HG23 VAL 68 2HG2 VAL 68 1.736 8.207 3.260 459 H LEU 69 H LEU 69 4.345 8.191 1.669 460 HA LEU 69 HA LEU 69 5.647 10.817 1.840 461 HB2 LEU 69 2HB LEU 69 5.581 8.862 -0.446 462 HB3 LEU 69 1HB LEU 69 6.320 10.450 -0.506 463 HG LEU 69 HG LEU 69 7.215 8.091 1.143 464 HD11 LEU 69 1HD1 LEU 69 9.235 8.299 -0.218 465 HD12 LEU 69 2HD1 LEU 69 8.491 9.622 -1.115 466 HD13 LEU 69 3HD1 LEU 69 7.808 7.998 -1.209 467 HD21 LEU 69 3HD2 LEU 69 7.457 10.185 2.416 468 HD22 LEU 69 1HD2 LEU 69 8.356 10.884 1.069 469 HD23 LEU 69 2HD2 LEU 69 9.016 9.507 1.950 470 H ASP 70 H ASP 70 3.388 9.008 -0.217 471 HA ASP 70 HA ASP 70 2.022 11.547 -0.806 472 HB2 ASP 70 2HB ASP 70 3.546 11.201 -2.627 473 HB3 ASP 70 1HB ASP 70 3.067 9.515 -2.779 474 H THR 71 H THR 71 -0.161 11.417 -1.103 475 HA THR 71 HA THR 71 -1.374 8.753 -0.731 476 HB THR 71 HB THR 71 -2.590 11.378 0.137 477 HG1 THR 71 1HG THR 71 -0.975 11.275 1.549 478 HG21 THR 71 3HG2 THR 71 -3.176 8.512 0.888 479 HG22 THR 71 1HG2 THR 71 -4.166 9.538 -0.152 480 HG23 THR 71 2HG2 THR 71 -3.978 9.933 1.557 481 H GLU 72 H GLU 72 -2.250 8.124 -2.619 482 HA GLU 72 HA GLU 72 -3.551 10.179 -4.281 483 HB2 GLU 72 2HB GLU 72 -1.937 7.767 -4.996 484 HB3 GLU 72 1HB GLU 72 -3.183 8.323 -6.104 485 HG2 GLU 72 2HG GLU 72 -0.922 10.018 -5.076 486 HG3 GLU 72 1HG GLU 72 -0.936 9.188 -6.631 487 HA PRO 73 HA PRO 73 -7.197 7.570 -3.826 488 HB2 PRO 73 2HB PRO 73 -8.750 9.803 -4.713 489 HB3 PRO 73 1HB PRO 73 -8.643 9.154 -3.077 490 HG2 PRO 73 2HG PRO 73 -7.704 11.637 -3.872 491 HG3 PRO 73 1HG PRO 73 -7.184 10.769 -2.417 492 HD2 PRO 73 2HD PRO 73 -5.836 10.999 -5.076 493 HD3 PRO 73 1HD PRO 73 -5.124 10.948 -3.448 494 H ALA 74 H ALA 74 -6.741 6.282 -5.626 495 HA ALA 74 HA ALA 74 -7.338 7.469 -8.254 496 HB1 ALA 74 1HB ALA 74 -5.137 5.495 -7.663 497 HB2 ALA 74 2HB ALA 74 -4.916 7.220 -7.964 498 HB3 ALA 74 3HB ALA 74 -5.537 6.174 -9.243 499 H ASP 75 H ASP 75 -8.319 6.154 -9.778 500 HA ASP 75 HA ASP 75 -9.412 3.637 -8.716 501 HB2 ASP 75 2HB ASP 75 -11.129 5.312 -9.234 502 HB3 ASP 75 1HB ASP 75 -10.515 5.446 -10.878 503 H GLY 76 H GLY 76 -9.689 1.866 -10.295 504 HA2 GLY 76 2HA GLY 76 -7.213 1.736 -11.846 505 HA3 GLY 76 1HA GLY 76 -8.163 0.369 -11.295 506 H ASP 77 H ASP 77 -10.316 2.538 -12.628 507 HA ASP 77 HA ASP 77 -10.488 0.937 -15.040 508 HB2 ASP 77 2HB ASP 77 -12.556 1.573 -13.894 509 HB3 ASP 77 1HB ASP 77 -12.179 3.276 -14.136 510 H GLY 78 H GLY 78 -10.276 4.441 -14.400 511 HA2 GLY 78 2HA GLY 78 -8.929 6.000 -15.490 512 HA3 GLY 78 1HA GLY 78 -8.396 4.735 -16.589 513 H GLY 79 H GLY 79 -9.370 4.511 -18.542 514 HA2 GLY 79 2HA GLY 79 -11.916 5.349 -19.271 515 HA3 GLY 79 1HA GLY 79 -10.840 6.714 -19.542 516 H LEU 80 H LEU 80 -11.790 6.185 -21.770 517 HA LEU 80 HA LEU 80 -10.040 4.242 -23.129 518 HB2 LEU 80 2HB LEU 80 -12.517 3.954 -23.367 519 HB3 LEU 80 1HB LEU 80 -12.588 5.525 -24.136 520 HG LEU 80 HG LEU 80 -10.771 3.518 -25.364 521 HD11 LEU 80 1HD1 LEU 80 -13.777 3.380 -25.602 522 HD12 LEU 80 2HD1 LEU 80 -12.744 2.170 -24.839 523 HD13 LEU 80 3HD1 LEU 80 -12.620 2.469 -26.573 524 HD21 LEU 80 3HD2 LEU 80 -12.750 5.505 -26.478 525 HD22 LEU 80 1HD2 LEU 80 -11.605 4.547 -27.414 526 HD23 LEU 80 2HD2 LEU 80 -11.016 5.773 -26.290 527 H GLU 81 H GLU 81 -8.550 4.973 -24.540 528 HA GLU 81 HA GLU 81 -7.149 6.384 -25.624 529 HB2 GLU 81 2HB GLU 81 -9.533 8.243 -25.690 530 HB3 GLU 81 1HB GLU 81 -8.007 8.564 -26.497 531 HG2 GLU 81 2HG GLU 81 -8.326 6.539 -27.855 532 HG3 GLU 81 1HG GLU 81 -9.887 6.286 -27.071 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 11.286 7.191 15.225 2 H2 GLY 1 2HT GLY 1 11.905 6.090 14.088 3 H3 GLY 1 3HT GLY 1 12.170 5.842 15.740 4 HA2 GLY 1 1HA GLY 1 9.872 5.413 16.134 5 HA3 GLY 1 2HA GLY 1 9.495 5.840 14.470 6 H ALA 2 H ALA 2 8.635 3.886 13.891 7 HA ALA 2 HA ALA 2 10.606 1.777 13.433 8 HB1 ALA 2 1HB ALA 2 9.497 1.104 15.495 9 HB2 ALA 2 2HB ALA 2 9.049 0.028 14.170 10 HB3 ALA 2 3HB ALA 2 7.922 1.271 14.719 11 H MET 3 H MET 3 10.614 1.701 11.303 12 HA MET 3 HA MET 3 8.369 2.427 9.693 13 HB2 MET 3 2HB MET 3 11.037 1.189 8.999 14 HB3 MET 3 1HB MET 3 9.833 1.631 7.799 15 HG2 MET 3 2HG MET 3 11.465 3.360 7.898 16 HG3 MET 3 1HG MET 3 9.976 3.975 8.607 17 HE1 MET 3 3HE MET 3 12.573 1.525 10.328 18 HE2 MET 3 1HE MET 3 13.665 2.688 11.074 19 HE3 MET 3 2HE MET 3 13.562 2.575 9.315 20 H ALA 4 H ALA 4 7.269 1.024 8.195 21 HA ALA 4 HA ALA 4 6.544 -1.421 9.518 22 HB1 ALA 4 1HB ALA 4 4.831 0.048 8.571 23 HB2 ALA 4 2HB ALA 4 4.762 -1.569 7.870 24 HB3 ALA 4 3HB ALA 4 5.478 -0.241 6.955 25 H PHE 5 H PHE 5 8.882 -2.143 9.071 26 HA PHE 5 HA PHE 5 8.827 -3.754 6.608 27 HB2 PHE 5 2HB PHE 5 11.153 -2.775 8.269 28 HB3 PHE 5 1HB PHE 5 11.318 -4.067 7.084 29 HD1 PHE 5 2HD PHE 5 11.060 -3.610 4.700 30 HD2 PHE 5 1HD PHE 5 10.900 -0.490 7.591 31 HE1 PHE 5 2HE PHE 5 11.381 -1.948 2.915 32 HE2 PHE 5 1HE PHE 5 11.215 1.177 5.810 33 HZ PHE 5 HZ PHE 5 11.456 0.450 3.472 34 H ASP 6 H ASP 6 7.207 -4.722 8.297 35 HA ASP 6 HA ASP 6 8.458 -7.157 9.211 36 HB2 ASP 6 2HB ASP 6 8.605 -5.645 11.193 37 HB3 ASP 6 1HB ASP 6 6.853 -5.464 11.145 38 H GLY 7 H GLY 7 7.230 -8.688 8.402 39 HA2 GLY 7 2HA GLY 7 4.329 -8.507 8.627 40 HA3 GLY 7 1HA GLY 7 4.975 -8.562 6.991 41 H GLU 8 H GLU 8 3.254 -10.494 8.174 42 HA GLU 8 HA GLU 8 4.905 -12.728 8.967 43 HB2 GLU 8 2HB GLU 8 1.984 -12.220 8.788 44 HB3 GLU 8 1HB GLU 8 2.526 -13.890 8.695 45 HG2 GLU 8 2HG GLU 8 1.997 -13.429 10.958 46 HG3 GLU 8 1HG GLU 8 3.752 -13.536 10.836 47 H ASP 9 H ASP 9 4.462 -14.876 7.954 48 HA ASP 9 HA ASP 9 5.254 -14.610 5.171 49 HB2 ASP 9 2HB ASP 9 6.697 -15.862 6.659 50 HB3 ASP 9 1HB ASP 9 5.364 -16.891 7.154 51 H GLU 10 H GLU 10 2.380 -14.854 6.587 52 HA GLU 10 HA GLU 10 1.287 -17.188 5.302 53 HB2 GLU 10 2HB GLU 10 -0.126 -14.992 6.822 54 HB3 GLU 10 1HB GLU 10 -0.803 -16.557 6.388 55 HG2 GLU 10 2HG GLU 10 1.439 -16.005 8.315 56 HG3 GLU 10 1HG GLU 10 -0.170 -16.627 8.683 57 H VAL 11 H VAL 11 2.311 -14.846 3.692 58 HA VAL 11 HA VAL 11 -0.057 -14.620 1.968 59 HB VAL 11 HB VAL 11 0.699 -12.344 1.280 60 HG11 VAL 11 1HG1 VAL 11 -0.012 -12.667 4.192 61 HG12 VAL 11 2HG1 VAL 11 -1.139 -12.570 2.840 62 HG13 VAL 11 3HG1 VAL 11 -0.153 -11.172 3.269 63 HG21 VAL 11 3HG2 VAL 11 2.219 -11.110 2.766 64 HG22 VAL 11 1HG2 VAL 11 3.018 -12.466 1.971 65 HG23 VAL 11 2HG2 VAL 11 2.530 -12.597 3.661 66 H THR 12 H THR 12 0.675 -13.842 -0.294 67 HA THR 12 HA THR 12 2.951 -15.480 -1.095 68 HB THR 12 HB THR 12 1.129 -13.944 -2.947 69 HG1 THR 12 1HG THR 12 -0.383 -15.139 -1.982 70 HG21 THR 12 3HG2 THR 12 2.655 -16.534 -3.270 71 HG22 THR 12 1HG2 THR 12 3.166 -14.963 -3.887 72 HG23 THR 12 2HG2 THR 12 1.703 -15.723 -4.514 73 H GLY 13 H GLY 13 4.851 -14.427 -0.870 74 HA2 GLY 13 2HA GLY 13 6.438 -12.753 -1.183 75 HA3 GLY 13 1HA GLY 13 5.218 -11.792 -2.019 76 HA PRO 14 HA PRO 14 4.800 -11.534 2.901 77 HB2 PRO 14 2HB PRO 14 7.675 -11.084 3.425 78 HB3 PRO 14 1HB PRO 14 6.494 -12.032 4.334 79 HG2 PRO 14 2HG PRO 14 8.348 -13.213 2.850 80 HG3 PRO 14 1HG PRO 14 6.708 -13.874 2.950 81 HD2 PRO 14 2HD PRO 14 7.996 -12.293 0.760 82 HD3 PRO 14 1HD PRO 14 6.883 -13.673 0.650 83 H ASP 15 H ASP 15 6.649 -9.654 0.665 84 HA ASP 15 HA ASP 15 6.741 -7.287 2.273 85 HB2 ASP 15 2HB ASP 15 7.084 -7.719 -0.697 86 HB3 ASP 15 1HB ASP 15 7.220 -6.140 0.075 87 H ALA 16 H ALA 16 4.382 -8.905 0.463 88 HA ALA 16 HA ALA 16 2.585 -6.765 0.024 89 HB1 ALA 16 1HB ALA 16 1.991 -9.691 0.482 90 HB2 ALA 16 2HB ALA 16 2.336 -8.942 -1.077 91 HB3 ALA 16 3HB ALA 16 0.878 -8.498 -0.189 92 H ASP 17 H ASP 17 3.440 -8.714 2.795 93 HA ASP 17 HA ASP 17 1.021 -8.029 4.235 94 HB2 ASP 17 2HB ASP 17 2.245 -10.255 4.401 95 HB3 ASP 17 1HB ASP 17 3.445 -9.411 5.376 96 H ARG 18 H ARG 18 4.329 -6.890 4.079 97 HA ARG 18 HA ARG 18 4.586 -5.576 6.523 98 HB2 ARG 18 2HB ARG 18 5.515 -4.015 4.188 99 HB3 ARG 18 1HB ARG 18 6.375 -4.472 5.643 100 HG2 ARG 18 2HG ARG 18 5.785 -6.492 3.531 101 HG3 ARG 18 1HG ARG 18 7.138 -5.378 3.362 102 HD2 ARG 18 2HD ARG 18 7.873 -6.186 5.666 103 HD3 ARG 18 1HD ARG 18 6.696 -7.488 5.456 104 HE ARG 18 HE ARG 18 8.636 -7.081 3.309 105 HH11 ARG 18 1HH1 ARG 18 7.694 -8.951 6.119 106 HH12 ARG 18 2HH1 ARG 18 8.664 -10.322 5.687 107 HH21 ARG 18 1HH2 ARG 18 9.899 -8.845 2.740 108 HH22 ARG 18 2HH2 ARG 18 9.923 -10.271 3.740 109 H ALA 19 H ALA 19 3.362 -4.280 3.456 110 HA ALA 19 HA ALA 19 2.481 -1.833 4.692 111 HB1 ALA 19 1HB ALA 19 3.415 -1.831 2.434 112 HB2 ALA 19 2HB ALA 19 1.762 -1.214 2.444 113 HB3 ALA 19 3HB ALA 19 2.088 -2.853 1.880 114 H ARG 20 H ARG 20 1.119 -4.902 3.956 115 HA ARG 20 HA ARG 20 -1.609 -4.177 3.796 116 HB2 ARG 20 2HB ARG 20 -0.698 -6.338 3.032 117 HB3 ARG 20 1HB ARG 20 -0.357 -6.775 4.698 118 HG2 ARG 20 2HG ARG 20 -2.772 -6.680 5.181 119 HG3 ARG 20 1HG ARG 20 -3.066 -6.340 3.467 120 HD2 ARG 20 2HD ARG 20 -2.186 -8.441 2.811 121 HD3 ARG 20 1HD ARG 20 -1.523 -8.742 4.414 122 HE ARG 20 HE ARG 20 -4.424 -8.676 3.867 123 HH11 ARG 20 1HH1 ARG 20 -1.598 -10.082 5.409 124 HH12 ARG 20 2HH1 ARG 20 -2.497 -11.352 6.178 125 HH21 ARG 20 1HH2 ARG 20 -5.607 -10.335 4.887 126 HH22 ARG 20 2HH2 ARG 20 -4.784 -11.486 5.908 127 H ALA 21 H ALA 21 0.527 -4.996 6.480 128 HA ALA 21 HA ALA 21 -1.411 -4.981 8.531 129 HB1 ALA 21 1HB ALA 21 0.471 -4.692 10.056 130 HB2 ALA 21 2HB ALA 21 1.519 -4.275 8.702 131 HB3 ALA 21 3HB ALA 21 0.845 -5.901 8.827 132 H ALA 22 H ALA 22 0.301 -2.440 6.860 133 HA ALA 22 HA ALA 22 -0.563 -0.355 8.646 134 HB1 ALA 22 1HB ALA 22 1.511 -0.141 7.352 135 HB2 ALA 22 2HB ALA 22 0.385 1.171 7.001 136 HB3 ALA 22 3HB ALA 22 0.575 -0.159 5.858 137 H ALA 23 H ALA 23 -1.581 -1.707 5.567 138 HA ALA 23 HA ALA 23 -3.506 0.131 4.800 139 HB1 ALA 23 1HB ALA 23 -2.720 -1.694 3.381 140 HB2 ALA 23 2HB ALA 23 -4.480 -1.664 3.477 141 HB3 ALA 23 3HB ALA 23 -3.566 -2.856 4.402 142 H VAL 24 H VAL 24 -3.914 -2.756 6.837 143 HA VAL 24 HA VAL 24 -6.699 -2.434 7.184 144 HB VAL 24 HB VAL 24 -5.557 -4.584 7.521 145 HG11 VAL 24 1HG1 VAL 24 -4.295 -5.052 9.541 146 HG12 VAL 24 2HG1 VAL 24 -4.465 -3.374 10.054 147 HG13 VAL 24 3HG1 VAL 24 -3.530 -3.763 8.611 148 HG21 VAL 24 3HG2 VAL 24 -7.042 -3.592 9.949 149 HG22 VAL 24 1HG2 VAL 24 -6.748 -5.287 9.557 150 HG23 VAL 24 2HG2 VAL 24 -7.748 -4.296 8.495 151 H GLN 25 H GLN 25 -4.025 -0.840 8.631 152 HA GLN 25 HA GLN 25 -5.615 0.116 10.882 153 HB2 GLN 25 2HB GLN 25 -2.803 -0.156 10.334 154 HB3 GLN 25 1HB GLN 25 -3.162 1.511 10.760 155 HG2 GLN 25 2HG GLN 25 -2.581 0.377 12.755 156 HG3 GLN 25 1HG GLN 25 -4.319 0.656 12.802 157 HE21 GLN 25 1HE2 GLN 25 -2.725 -1.833 10.911 158 HE22 GLN 25 2HE2 GLN 25 -3.367 -3.169 11.799 159 H ALA 26 H ALA 26 -4.776 1.011 7.704 160 HA ALA 26 HA ALA 26 -5.083 3.863 8.114 161 HB1 ALA 26 1HB ALA 26 -4.752 2.312 5.549 162 HB2 ALA 26 2HB ALA 26 -3.442 3.000 6.508 163 HB3 ALA 26 3HB ALA 26 -4.623 4.061 5.742 164 H VAL 27 H VAL 27 -6.983 1.172 6.920 165 HA VAL 27 HA VAL 27 -9.219 3.040 6.500 166 HB VAL 27 HB VAL 27 -8.603 1.992 4.393 167 HG11 VAL 27 1HG1 VAL 27 -9.089 -0.644 5.775 168 HG12 VAL 27 2HG1 VAL 27 -7.541 -0.033 5.192 169 HG13 VAL 27 3HG1 VAL 27 -8.820 -0.432 4.045 170 HG21 VAL 27 3HG2 VAL 27 -11.175 0.886 5.502 171 HG22 VAL 27 1HG2 VAL 27 -10.764 1.011 3.791 172 HG23 VAL 27 2HG2 VAL 27 -10.946 2.472 4.762 173 HA PRO 28 HA PRO 28 -10.829 0.979 10.095 174 HB2 PRO 28 2HB PRO 28 -13.231 2.266 10.137 175 HB3 PRO 28 1HB PRO 28 -11.726 2.994 10.708 176 HG2 PRO 28 2HG PRO 28 -13.138 3.352 8.099 177 HG3 PRO 28 1HG PRO 28 -12.333 4.562 9.115 178 HD2 PRO 28 2HD PRO 28 -11.185 3.507 6.895 179 HD3 PRO 28 1HD PRO 28 -10.244 4.034 8.306 180 H GLY 29 H GLY 29 -11.206 -1.120 9.556 181 HA2 GLY 29 2HA GLY 29 -12.485 -2.976 9.131 182 HA3 GLY 29 1HA GLY 29 -13.890 -1.919 9.150 183 H GLY 30 H GLY 30 -11.253 -1.383 6.947 184 HA2 GLY 30 2HA GLY 30 -13.116 -1.862 4.735 185 HA3 GLY 30 1HA GLY 30 -11.631 -0.925 4.650 186 H THR 31 H THR 31 -11.572 -2.349 2.649 187 HA THR 31 HA THR 31 -10.687 -5.071 3.176 188 HB THR 31 HB THR 31 -11.034 -3.621 0.543 189 HG1 THR 31 1HG THR 31 -12.889 -4.359 2.157 190 HG21 THR 31 3HG2 THR 31 -10.960 -5.860 -0.452 191 HG22 THR 31 1HG2 THR 31 -10.650 -6.560 1.138 192 HG23 THR 31 2HG2 THR 31 -9.457 -5.492 0.396 193 H ALA 32 H ALA 32 -8.657 -5.322 3.755 194 HA ALA 32 HA ALA 32 -6.577 -3.591 2.625 195 HB1 ALA 32 1HB ALA 32 -6.429 -5.595 4.880 196 HB2 ALA 32 2HB ALA 32 -6.580 -3.846 5.056 197 HB3 ALA 32 3HB ALA 32 -5.122 -4.539 4.348 198 H GLY 33 H GLY 33 -6.041 -4.352 0.659 199 HA2 GLY 33 2HA GLY 33 -6.001 -7.224 0.162 200 HA3 GLY 33 1HA GLY 33 -5.838 -5.953 -1.040 201 H GLU 34 H GLU 34 -4.215 -8.221 -0.953 202 HA GLU 34 HA GLU 34 -1.725 -7.633 0.289 203 HB2 GLU 34 2HB GLU 34 -0.885 -9.431 -1.344 204 HB3 GLU 34 1HB GLU 34 -2.060 -9.910 -0.129 205 HG2 GLU 34 2HG GLU 34 -3.824 -9.534 -1.927 206 HG3 GLU 34 1HG GLU 34 -2.482 -9.477 -3.068 207 H VAL 35 H VAL 35 -0.079 -6.437 -0.394 208 HA VAL 35 HA VAL 35 -0.505 -4.942 -2.880 209 HB VAL 35 HB VAL 35 0.840 -3.173 -1.923 210 HG11 VAL 35 1HG1 VAL 35 -1.241 -4.172 0.017 211 HG12 VAL 35 2HG1 VAL 35 -1.528 -3.163 -1.401 212 HG13 VAL 35 3HG1 VAL 35 -0.600 -2.532 -0.040 213 HG21 VAL 35 3HG2 VAL 35 1.153 -4.953 0.491 214 HG22 VAL 35 1HG2 VAL 35 1.719 -3.288 0.351 215 HG23 VAL 35 2HG2 VAL 35 2.421 -4.549 -0.664 216 H GLU 36 H GLU 36 1.294 -4.418 -4.222 217 HA GLU 36 HA GLU 36 3.463 -6.398 -4.041 218 HB2 GLU 36 2HB GLU 36 3.779 -6.007 -6.457 219 HB3 GLU 36 1HB GLU 36 2.148 -6.550 -6.089 220 HG2 GLU 36 2HG GLU 36 1.329 -4.270 -6.275 221 HG3 GLU 36 1HG GLU 36 2.964 -3.699 -6.607 222 H THR 37 H THR 37 5.621 -5.724 -4.519 223 HA THR 37 HA THR 37 6.260 -3.091 -3.559 224 HB THR 37 HB THR 37 8.121 -5.077 -4.881 225 HG1 THR 37 1HG THR 37 6.763 -5.265 -2.548 226 HG21 THR 37 3HG2 THR 37 9.075 -2.852 -4.590 227 HG22 THR 37 1HG2 THR 37 9.826 -3.995 -3.476 228 HG23 THR 37 2HG2 THR 37 8.611 -2.859 -2.888 229 H GLU 38 H GLU 38 5.992 -1.351 -4.830 230 HA GLU 38 HA GLU 38 5.924 -1.587 -7.699 231 HB2 GLU 38 2HB GLU 38 5.700 0.824 -5.890 232 HB3 GLU 38 1HB GLU 38 5.548 0.888 -7.640 233 HG2 GLU 38 2HG GLU 38 3.664 -0.791 -7.389 234 HG3 GLU 38 1HG GLU 38 3.727 -0.443 -5.662 235 H THR 39 H THR 39 7.737 -1.758 -8.796 236 HA THR 39 HA THR 39 10.015 -0.086 -7.986 237 HB THR 39 HB THR 39 11.342 -1.862 -9.341 238 HG1 THR 39 1HG THR 39 9.613 -3.810 -8.521 239 HG21 THR 39 3HG2 THR 39 11.635 -3.232 -7.340 240 HG22 THR 39 1HG2 THR 39 10.144 -2.580 -6.663 241 HG23 THR 39 2HG2 THR 39 11.533 -1.525 -6.911 242 H GLY 40 H GLY 40 10.594 1.441 -9.386 243 HA2 GLY 40 2HA GLY 40 10.861 1.196 -12.121 244 HA3 GLY 40 1HA GLY 40 9.217 1.756 -11.857 245 H GLU 41 H GLU 41 8.888 3.873 -11.642 246 HA GLU 41 HA GLU 41 11.277 5.580 -11.449 247 HB2 GLU 41 2HB GLU 41 8.690 6.009 -12.949 248 HB3 GLU 41 1HB GLU 41 9.951 7.224 -12.785 249 HG2 GLU 41 2HG GLU 41 11.492 5.908 -14.030 250 HG3 GLU 41 1HG GLU 41 10.403 4.522 -14.018 251 H GLY 42 H GLY 42 10.819 7.817 -10.647 252 HA2 GLY 42 2HA GLY 42 9.797 9.313 -9.184 253 HA3 GLY 42 1HA GLY 42 8.501 8.151 -8.941 254 H ALA 43 H ALA 43 8.537 8.459 -6.702 255 HA ALA 43 HA ALA 43 10.864 7.250 -5.354 256 HB1 ALA 43 1HB ALA 43 10.626 9.636 -4.830 257 HB2 ALA 43 2HB ALA 43 10.375 8.624 -3.407 258 HB3 ALA 43 3HB ALA 43 8.992 9.337 -4.238 259 H ALA 44 H ALA 44 7.923 6.518 -6.358 260 HA ALA 44 HA ALA 44 6.795 5.434 -3.924 261 HB1 ALA 44 1HB ALA 44 4.979 4.645 -5.361 262 HB2 ALA 44 2HB ALA 44 5.877 5.161 -6.789 263 HB3 ALA 44 3HB ALA 44 5.306 6.358 -5.626 264 H ALA 45 H ALA 45 7.904 3.757 -3.125 265 HA ALA 45 HA ALA 45 8.800 1.654 -4.970 266 HB1 ALA 45 1HB ALA 45 10.287 0.927 -3.189 267 HB2 ALA 45 2HB ALA 45 9.603 2.138 -2.104 268 HB3 ALA 45 3HB ALA 45 10.519 2.643 -3.524 269 H TYR 46 H TYR 46 6.393 2.376 -2.719 270 HA TYR 46 HA TYR 46 5.507 -0.407 -2.739 271 HB2 TYR 46 2HB TYR 46 5.780 1.270 -0.232 272 HB3 TYR 46 1HB TYR 46 4.858 -0.226 -0.315 273 HD1 TYR 46 1HD TYR 46 6.061 -2.376 -0.771 274 HD2 TYR 46 2HD TYR 46 8.140 1.249 0.037 275 HE1 TYR 46 1HE TYR 46 8.086 -3.664 -0.245 276 HE2 TYR 46 2HE TYR 46 10.176 -0.031 0.563 277 HH TYR 46 HH TYR 46 10.759 -2.329 1.323 278 H GLY 47 H GLY 47 3.375 -0.590 -3.101 279 HA2 GLY 47 2HA GLY 47 1.759 1.876 -2.894 280 HA3 GLY 47 1HA GLY 47 1.510 0.645 -4.125 281 H VAL 48 H VAL 48 0.446 1.808 -1.218 282 HA VAL 48 HA VAL 48 -0.532 -0.772 -0.232 283 HB VAL 48 HB VAL 48 -0.897 1.970 0.991 284 HG11 VAL 48 1HG1 VAL 48 -1.376 0.722 3.050 285 HG12 VAL 48 2HG1 VAL 48 -1.220 -0.793 2.161 286 HG13 VAL 48 3HG1 VAL 48 -2.524 0.330 1.768 287 HG21 VAL 48 3HG2 VAL 48 1.472 1.451 0.834 288 HG22 VAL 48 1HG2 VAL 48 1.193 -0.115 1.593 289 HG23 VAL 48 2HG2 VAL 48 0.929 1.367 2.511 290 H LEU 49 H LEU 49 -2.480 -1.470 -0.930 291 HA LEU 49 HA LEU 49 -4.304 0.544 -2.021 292 HB2 LEU 49 2HB LEU 49 -5.467 -1.337 -3.104 293 HB3 LEU 49 1HB LEU 49 -3.789 -1.199 -3.580 294 HG LEU 49 HG LEU 49 -3.768 -3.020 -1.464 295 HD11 LEU 49 1HD1 LEU 49 -6.058 -3.586 -3.346 296 HD12 LEU 49 2HD1 LEU 49 -6.194 -3.227 -1.625 297 HD13 LEU 49 3HD1 LEU 49 -5.400 -4.710 -2.156 298 HD21 LEU 49 3HD2 LEU 49 -3.208 -4.634 -3.242 299 HD22 LEU 49 1HD2 LEU 49 -2.343 -3.107 -3.423 300 HD23 LEU 49 2HD2 LEU 49 -3.734 -3.459 -4.449 301 H VAL 50 H VAL 50 -5.638 1.337 -0.602 302 HA VAL 50 HA VAL 50 -6.816 -0.472 1.404 303 HB VAL 50 HB VAL 50 -7.375 1.692 2.651 304 HG11 VAL 50 1HG1 VAL 50 -5.635 0.151 3.381 305 HG12 VAL 50 2HG1 VAL 50 -5.124 1.821 3.639 306 HG13 VAL 50 3HG1 VAL 50 -4.487 0.904 2.274 307 HG21 VAL 50 3HG2 VAL 50 -5.265 2.785 0.789 308 HG22 VAL 50 1HG2 VAL 50 -5.958 3.621 2.177 309 HG23 VAL 50 2HG2 VAL 50 -6.969 3.239 0.782 310 H THR 51 H THR 51 -8.717 -1.160 0.730 311 HA THR 51 HA THR 51 -10.404 0.616 -0.861 312 HB THR 51 HB THR 51 -10.854 -2.302 -0.214 313 HG1 THR 51 1HG THR 51 -8.928 -2.080 -1.384 314 HG21 THR 51 3HG2 THR 51 -12.306 -2.239 -2.203 315 HG22 THR 51 1HG2 THR 51 -12.006 -0.509 -2.362 316 HG23 THR 51 2HG2 THR 51 -12.868 -1.128 -0.953 317 H ARG 52 H ARG 52 -11.762 1.865 0.211 318 HA ARG 52 HA ARG 52 -12.692 1.301 2.860 319 HB2 ARG 52 2HB ARG 52 -13.478 3.352 0.792 320 HB3 ARG 52 1HB ARG 52 -14.361 3.185 2.297 321 HG2 ARG 52 2HG ARG 52 -12.839 4.973 2.552 322 HG3 ARG 52 1HG ARG 52 -12.227 3.629 3.510 323 HD2 ARG 52 2HD ARG 52 -10.489 3.204 2.013 324 HD3 ARG 52 1HD ARG 52 -11.273 4.095 0.708 325 HE ARG 52 HE ARG 52 -10.749 6.146 1.895 326 HH11 ARG 52 1HH1 ARG 52 -9.060 3.270 2.960 327 HH12 ARG 52 2HH1 ARG 52 -7.749 4.152 3.673 328 HH21 ARG 52 1HH2 ARG 52 -8.996 7.305 2.800 329 HH22 ARG 52 2HH2 ARG 52 -7.711 6.429 3.593 330 HA PRO 53 HA PRO 53 -16.110 -1.350 1.868 331 HB2 PRO 53 2HB PRO 53 -17.832 -0.680 3.886 332 HB3 PRO 53 1HB PRO 53 -16.425 -1.726 4.105 333 HG2 PRO 53 2HG PRO 53 -16.727 1.192 4.700 334 HG3 PRO 53 1HG PRO 53 -15.944 -0.073 5.666 335 HD2 PRO 53 2HD PRO 53 -14.523 1.648 4.162 336 HD3 PRO 53 1HD PRO 53 -14.020 -0.041 4.381 337 H ASP 54 H ASP 54 -16.193 1.974 1.651 338 HA ASP 54 HA ASP 54 -18.948 2.249 0.847 339 HB2 ASP 54 2HB ASP 54 -16.609 4.163 0.685 340 HB3 ASP 54 1HB ASP 54 -18.261 4.573 0.236 341 H GLY 55 H GLY 55 -16.366 0.822 -0.567 342 HA2 GLY 55 2HA GLY 55 -16.358 -0.099 -2.717 343 HA3 GLY 55 1HA GLY 55 -17.623 1.029 -3.181 344 H THR 56 H THR 56 -14.586 1.950 -1.658 345 HA THR 56 HA THR 56 -13.681 3.046 -4.214 346 HB THR 56 HB THR 56 -14.848 4.882 -3.123 347 HG1 THR 56 1HG THR 56 -13.302 5.992 -4.011 348 HG21 THR 56 3HG2 THR 56 -14.699 4.193 -0.803 349 HG22 THR 56 1HG2 THR 56 -14.049 5.823 -0.993 350 HG23 THR 56 2HG2 THR 56 -12.956 4.451 -0.814 351 H ARG 57 H ARG 57 -11.634 2.614 -4.599 352 HA ARG 57 HA ARG 57 -9.955 1.647 -2.384 353 HB2 ARG 57 2HB ARG 57 -10.176 -0.010 -4.086 354 HB3 ARG 57 1HB ARG 57 -9.865 1.159 -5.361 355 HG2 ARG 57 2HG ARG 57 -7.557 1.396 -4.562 356 HG3 ARG 57 1HG ARG 57 -7.881 0.193 -3.313 357 HD2 ARG 57 2HD ARG 57 -8.091 -1.538 -4.873 358 HD3 ARG 57 1HD ARG 57 -8.305 -0.419 -6.221 359 HE ARG 57 HE ARG 57 -5.807 0.139 -5.218 360 HH11 ARG 57 1HH1 ARG 57 -7.361 -2.772 -6.430 361 HH12 ARG 57 2HH1 ARG 57 -5.901 -3.395 -7.143 362 HH21 ARG 57 1HH2 ARG 57 -3.912 -0.661 -6.136 363 HH22 ARG 57 2HH2 ARG 57 -3.923 -2.203 -6.964 364 H VAL 58 H VAL 58 -8.285 2.818 -1.719 365 HA VAL 58 HA VAL 58 -7.366 5.035 -3.430 366 HB VAL 58 HB VAL 58 -7.207 4.832 -0.414 367 HG11 VAL 58 1HG1 VAL 58 -6.545 7.194 -0.505 368 HG12 VAL 58 2HG1 VAL 58 -6.549 7.121 -2.268 369 HG13 VAL 58 3HG1 VAL 58 -5.395 6.157 -1.348 370 HG21 VAL 58 3HG2 VAL 58 -8.920 6.573 -0.375 371 HG22 VAL 58 1HG2 VAL 58 -9.508 5.108 -1.160 372 HG23 VAL 58 2HG2 VAL 58 -9.038 6.502 -2.134 373 H GLU 59 H GLU 59 -5.267 5.095 -4.007 374 HA GLU 59 HA GLU 59 -3.540 2.913 -3.134 375 HB2 GLU 59 2HB GLU 59 -3.069 5.008 -5.263 376 HB3 GLU 59 1HB GLU 59 -2.101 3.570 -4.988 377 HG2 GLU 59 2HG GLU 59 -4.985 3.578 -5.850 378 HG3 GLU 59 1HG GLU 59 -3.600 3.368 -6.919 379 H VAL 60 H VAL 60 -2.492 3.333 -1.296 380 HA VAL 60 HA VAL 60 -1.461 6.008 -0.752 381 HB VAL 60 HB VAL 60 -1.055 3.517 0.906 382 HG11 VAL 60 1HG1 VAL 60 -0.871 6.448 1.580 383 HG12 VAL 60 2HG1 VAL 60 0.477 5.323 1.422 384 HG13 VAL 60 3HG1 VAL 60 -0.688 5.124 2.731 385 HG21 VAL 60 3HG2 VAL 60 -3.255 5.572 1.129 386 HG22 VAL 60 1HG2 VAL 60 -2.950 4.269 2.277 387 HG23 VAL 60 2HG2 VAL 60 -3.452 3.893 0.628 388 H HIS 61 H HIS 61 0.353 6.529 -1.790 389 HA HIS 61 HA HIS 61 2.220 4.425 -2.529 390 HB2 HIS 61 2HB HIS 61 1.990 7.322 -3.276 391 HB3 HIS 61 1HB HIS 61 3.376 6.343 -3.740 392 HD1 HIS 61 1HD HIS 61 -0.024 7.205 -4.775 393 HD2 HIS 61 2HD HIS 61 2.647 4.079 -5.420 394 HE1 HIS 61 1HE HIS 61 -0.899 5.964 -6.773 395 HE2 HIS 61 2HE HIS 61 0.598 3.946 -6.995 396 H LEU 62 H LEU 62 4.041 4.017 -1.539 397 HA LEU 62 HA LEU 62 4.935 5.884 0.554 398 HB2 LEU 62 2HB LEU 62 4.548 2.965 0.487 399 HB3 LEU 62 1HB LEU 62 6.021 3.504 1.267 400 HG LEU 62 HG LEU 62 4.903 4.455 3.041 401 HD11 LEU 62 1HD1 LEU 62 2.579 5.200 3.013 402 HD12 LEU 62 2HD1 LEU 62 2.425 4.673 1.336 403 HD13 LEU 62 3HD1 LEU 62 3.518 5.994 1.750 404 HD21 LEU 62 3HD2 LEU 62 4.469 2.069 3.028 405 HD22 LEU 62 1HD2 LEU 62 3.008 2.331 2.074 406 HD23 LEU 62 2HD2 LEU 62 3.107 2.950 3.724 407 H ASP 63 H ASP 63 7.189 5.864 1.040 408 HA ASP 63 HA ASP 63 8.810 5.787 -1.373 409 HB2 ASP 63 2HB ASP 63 8.942 7.818 -0.106 410 HB3 ASP 63 1HB ASP 63 9.193 6.945 1.397 411 H ARG 64 H ARG 64 11.189 5.132 -0.919 412 HA ARG 64 HA ARG 64 11.340 2.370 -0.540 413 HB2 ARG 64 2HB ARG 64 13.537 4.439 -0.344 414 HB3 ARG 64 1HB ARG 64 13.782 2.713 -0.577 415 HG2 ARG 64 2HG ARG 64 13.289 2.808 -2.767 416 HG3 ARG 64 1HG ARG 64 12.008 4.000 -2.536 417 HD2 ARG 64 2HD ARG 64 14.969 4.569 -2.481 418 HD3 ARG 64 1HD ARG 64 13.886 4.907 -3.831 419 HE ARG 64 HE ARG 64 12.706 6.226 -1.789 420 HH11 ARG 64 1HH1 ARG 64 15.969 6.261 -3.088 421 HH12 ARG 64 2HH1 ARG 64 16.294 7.871 -2.518 422 HH21 ARG 64 1HH2 ARG 64 13.127 8.313 -1.070 423 HH22 ARG 64 2HH2 ARG 64 14.676 9.044 -1.382 424 H ASP 65 H ASP 65 11.677 5.002 1.733 425 HA ASP 65 HA ASP 65 12.667 3.258 3.850 426 HB2 ASP 65 2HB ASP 65 13.479 5.607 3.584 427 HB3 ASP 65 1HB ASP 65 11.861 6.176 3.967 428 H PHE 66 H PHE 66 9.828 3.513 2.462 429 HA PHE 66 HA PHE 66 7.693 3.003 2.985 430 HB2 PHE 66 2HB PHE 66 9.144 1.899 5.182 431 HB3 PHE 66 1HB PHE 66 7.677 2.644 5.807 432 HD1 PHE 66 1HD PHE 66 9.022 0.064 3.573 433 HD2 PHE 66 2HD PHE 66 5.521 1.750 5.306 434 HE1 PHE 66 1HE PHE 66 7.725 -1.896 2.849 435 HE2 PHE 66 2HE PHE 66 4.216 -0.207 4.585 436 HZ PHE 66 HZ PHE 66 5.319 -2.033 3.356 437 H ARG 67 H ARG 67 9.004 5.683 3.370 438 HA ARG 67 HA ARG 67 7.341 7.026 5.290 439 HB2 ARG 67 2HB ARG 67 9.638 7.666 3.718 440 HB3 ARG 67 1HB ARG 67 8.392 8.858 3.375 441 HG2 ARG 67 2HG ARG 67 9.757 9.661 5.162 442 HG3 ARG 67 1HG ARG 67 8.165 9.256 5.808 443 HD2 ARG 67 2HD ARG 67 9.128 7.034 6.488 444 HD3 ARG 67 1HD ARG 67 10.713 7.668 6.048 445 HE ARG 67 HE ARG 67 9.405 9.440 7.824 446 HH11 ARG 67 1HH1 ARG 67 11.177 6.407 7.754 447 HH12 ARG 67 2HH1 ARG 67 11.576 6.477 9.443 448 HH21 ARG 67 1HH2 ARG 67 9.943 9.550 9.987 449 HH22 ARG 67 2HH2 ARG 67 10.876 8.284 10.729 450 H VAL 68 H VAL 68 5.400 7.985 4.942 451 HA VAL 68 HA VAL 68 3.899 7.245 2.671 452 HB VAL 68 HB VAL 68 2.815 7.590 4.817 453 HG11 VAL 68 1HG1 VAL 68 4.190 9.391 5.692 454 HG12 VAL 68 2HG1 VAL 68 2.483 9.824 5.756 455 HG13 VAL 68 3HG1 VAL 68 3.517 10.505 4.501 456 HG21 VAL 68 3HG2 VAL 68 0.914 8.977 4.095 457 HG22 VAL 68 1HG2 VAL 68 1.432 7.840 2.852 458 HG23 VAL 68 2HG2 VAL 68 1.869 9.545 2.725 459 H LEU 69 H LEU 69 3.560 8.226 0.774 460 HA LEU 69 HA LEU 69 4.822 10.838 0.359 461 HB2 LEU 69 2HB LEU 69 3.857 8.803 -1.652 462 HB3 LEU 69 1HB LEU 69 4.645 10.319 -2.045 463 HG LEU 69 HG LEU 69 5.909 8.036 -0.523 464 HD11 LEU 69 1HD1 LEU 69 7.255 7.730 -2.538 465 HD12 LEU 69 2HD1 LEU 69 6.331 8.992 -3.352 466 HD13 LEU 69 3HD1 LEU 69 5.540 7.492 -2.866 467 HD21 LEU 69 3HD2 LEU 69 7.976 9.295 -0.747 468 HD22 LEU 69 1HD2 LEU 69 6.773 10.233 0.137 469 HD23 LEU 69 2HD2 LEU 69 7.113 10.604 -1.553 470 H ASP 70 H ASP 70 1.897 9.137 -0.835 471 HA ASP 70 HA ASP 70 0.174 11.307 -0.161 472 HB2 ASP 70 2HB ASP 70 1.567 12.024 -2.286 473 HB3 ASP 70 1HB ASP 70 0.444 10.965 -3.130 474 H THR 71 H THR 71 -2.015 10.950 -1.497 475 HA THR 71 HA THR 71 -2.464 8.078 -1.859 476 HB THR 71 HB THR 71 -4.544 8.198 -0.489 477 HG1 THR 71 1HG THR 71 -3.630 10.818 -0.131 478 HG21 THR 71 3HG2 THR 71 -1.998 8.800 1.016 479 HG22 THR 71 1HG2 THR 71 -2.517 7.211 0.448 480 HG23 THR 71 2HG2 THR 71 -3.443 8.049 1.692 481 H GLU 72 H GLU 72 -3.281 7.944 -3.854 482 HA GLU 72 HA GLU 72 -5.553 9.705 -4.486 483 HB2 GLU 72 2HB GLU 72 -4.941 9.468 -6.902 484 HB3 GLU 72 1HB GLU 72 -3.792 10.396 -5.953 485 HG2 GLU 72 2HG GLU 72 -3.287 7.493 -6.328 486 HG3 GLU 72 1HG GLU 72 -3.018 8.576 -7.691 487 HA PRO 73 HA PRO 73 -7.811 5.919 -4.819 488 HB2 PRO 73 2HB PRO 73 -9.912 6.798 -6.311 489 HB3 PRO 73 1HB PRO 73 -9.729 7.144 -4.589 490 HG2 PRO 73 2HG PRO 73 -9.124 8.875 -6.945 491 HG3 PRO 73 1HG PRO 73 -9.860 9.310 -5.393 492 HD2 PRO 73 2HD PRO 73 -7.255 9.801 -5.992 493 HD3 PRO 73 1HD PRO 73 -7.827 9.496 -4.340 494 H ALA 74 H ALA 74 -8.305 4.269 -6.297 495 HA ALA 74 HA ALA 74 -6.855 4.552 -8.824 496 HB1 ALA 74 1HB ALA 74 -6.198 2.736 -7.298 497 HB2 ALA 74 2HB ALA 74 -6.736 2.142 -8.869 498 HB3 ALA 74 3HB ALA 74 -7.807 2.034 -7.471 499 H ASP 75 H ASP 75 -8.070 5.138 -10.498 500 HA ASP 75 HA ASP 75 -10.438 3.522 -11.091 501 HB2 ASP 75 2HB ASP 75 -11.244 5.669 -10.126 502 HB3 ASP 75 1HB ASP 75 -10.364 6.540 -11.378 503 H GLY 76 H GLY 76 -9.973 2.535 -12.948 504 HA2 GLY 76 2HA GLY 76 -8.052 3.868 -14.753 505 HA3 GLY 76 1HA GLY 76 -8.214 2.131 -14.569 506 H ASP 77 H ASP 77 -10.506 4.790 -15.283 507 HA ASP 77 HA ASP 77 -11.424 3.250 -17.607 508 HB2 ASP 77 2HB ASP 77 -13.218 4.154 -16.235 509 HB3 ASP 77 1HB ASP 77 -12.522 5.771 -16.336 510 H GLY 78 H GLY 78 -10.274 6.462 -16.711 511 HA2 GLY 78 2HA GLY 78 -9.026 6.684 -19.375 512 HA3 GLY 78 1HA GLY 78 -9.905 8.039 -18.672 513 H GLY 79 H GLY 79 -7.485 5.684 -17.550 514 HA2 GLY 79 2HA GLY 79 -6.293 7.677 -15.821 515 HA3 GLY 79 1HA GLY 79 -5.796 5.998 -15.990 516 H LEU 80 H LEU 80 -5.794 9.084 -17.706 517 HA LEU 80 HA LEU 80 -3.164 8.371 -18.830 518 HB2 LEU 80 2HB LEU 80 -5.288 10.180 -20.000 519 HB3 LEU 80 1HB LEU 80 -3.693 9.929 -20.682 520 HG LEU 80 HG LEU 80 -5.810 7.798 -20.382 521 HD11 LEU 80 1HD1 LEU 80 -4.843 9.289 -22.815 522 HD12 LEU 80 2HD1 LEU 80 -6.420 9.464 -22.044 523 HD13 LEU 80 3HD1 LEU 80 -5.980 7.940 -22.817 524 HD21 LEU 80 3HD2 LEU 80 -3.111 7.744 -21.727 525 HD22 LEU 80 1HD2 LEU 80 -4.314 6.457 -21.787 526 HD23 LEU 80 2HD2 LEU 80 -3.559 6.886 -20.252 527 H GLU 81 H GLU 81 -1.549 9.905 -18.695 528 HA GLU 81 HA GLU 81 -2.205 12.418 -17.324 529 HB2 GLU 81 2HB GLU 81 -1.159 10.402 -15.914 530 HB3 GLU 81 1HB GLU 81 0.333 11.006 -16.616 531 HG2 GLU 81 2HG GLU 81 -1.585 12.752 -15.101 532 HG3 GLU 81 1HG GLU 81 -0.275 11.868 -14.326 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 5.322 5.125 15.399 2 H2 GLY 1 2HT GLY 1 5.916 6.668 15.022 3 H3 GLY 1 3HT GLY 1 6.920 5.537 15.794 4 HA2 GLY 1 1HA GLY 1 5.842 5.332 13.039 5 HA3 GLY 1 2HA GLY 1 7.507 5.691 13.474 6 H ALA 2 H ALA 2 5.211 3.269 12.861 7 HA ALA 2 HA ALA 2 7.021 1.193 13.913 8 HB1 ALA 2 1HB ALA 2 4.079 0.982 13.269 9 HB2 ALA 2 2HB ALA 2 4.776 1.115 14.883 10 HB3 ALA 2 3HB ALA 2 5.094 -0.314 13.899 11 H MET 3 H MET 3 8.286 0.374 12.402 12 HA MET 3 HA MET 3 7.520 0.470 9.611 13 HB2 MET 3 2HB MET 3 10.027 -0.393 11.040 14 HB3 MET 3 1HB MET 3 9.801 -0.663 9.319 15 HG2 MET 3 2HG MET 3 11.062 1.311 9.537 16 HG3 MET 3 1HG MET 3 9.435 1.800 9.077 17 HE1 MET 3 3HE MET 3 12.120 1.679 11.928 18 HE2 MET 3 1HE MET 3 10.837 0.660 12.577 19 HE3 MET 3 2HE MET 3 11.190 2.216 13.328 20 H ALA 4 H ALA 4 6.169 -1.011 8.899 21 HA ALA 4 HA ALA 4 5.980 -3.594 10.165 22 HB1 ALA 4 1HB ALA 4 3.956 -2.371 9.486 23 HB2 ALA 4 2HB ALA 4 4.062 -3.954 8.715 24 HB3 ALA 4 3HB ALA 4 4.459 -2.500 7.800 25 H PHE 5 H PHE 5 7.948 -4.562 9.667 26 HA PHE 5 HA PHE 5 8.156 -5.443 6.862 27 HB2 PHE 5 2HB PHE 5 10.331 -5.000 8.911 28 HB3 PHE 5 1HB PHE 5 10.590 -5.924 7.434 29 HD1 PHE 5 2HD PHE 5 10.319 -4.792 5.225 30 HD2 PHE 5 1HD PHE 5 10.356 -2.648 8.902 31 HE1 PHE 5 2HE PHE 5 10.794 -2.712 4.002 32 HE2 PHE 5 1HE PHE 5 10.829 -0.563 7.685 33 HZ PHE 5 HZ PHE 5 11.050 -0.594 5.232 34 H ASP 6 H ASP 6 6.386 -6.811 8.056 35 HA ASP 6 HA ASP 6 7.620 -9.397 8.573 36 HB2 ASP 6 2HB ASP 6 7.288 -8.458 10.823 37 HB3 ASP 6 1HB ASP 6 5.598 -8.137 10.451 38 H GLY 7 H GLY 7 6.301 -11.120 7.938 39 HA2 GLY 7 2HA GLY 7 3.538 -10.877 7.403 40 HA3 GLY 7 1HA GLY 7 4.442 -10.646 5.912 41 H GLU 8 H GLU 8 2.685 -12.767 6.169 42 HA GLU 8 HA GLU 8 4.230 -15.106 6.891 43 HB2 GLU 8 2HB GLU 8 2.235 -16.378 6.187 44 HB3 GLU 8 1HB GLU 8 1.880 -15.158 7.397 45 HG2 GLU 8 2HG GLU 8 0.973 -13.700 5.675 46 HG3 GLU 8 1HG GLU 8 1.352 -14.909 4.446 47 H ASP 9 H ASP 9 4.368 -16.949 5.320 48 HA ASP 9 HA ASP 9 5.628 -15.821 2.931 49 HB2 ASP 9 2HB ASP 9 7.010 -17.212 4.391 50 HB3 ASP 9 1HB ASP 9 5.881 -18.551 4.221 51 H GLU 10 H GLU 10 2.746 -17.339 3.742 52 HA GLU 10 HA GLU 10 2.580 -18.963 1.351 53 HB2 GLU 10 2HB GLU 10 0.527 -18.438 3.498 54 HB3 GLU 10 1HB GLU 10 0.345 -19.588 2.179 55 HG2 GLU 10 2HG GLU 10 2.511 -20.635 3.060 56 HG3 GLU 10 1HG GLU 10 2.206 -19.694 4.519 57 H VAL 11 H VAL 11 2.313 -15.767 1.761 58 HA VAL 11 HA VAL 11 0.089 -15.405 -0.080 59 HB VAL 11 HB VAL 11 0.615 -12.994 0.059 60 HG11 VAL 11 1HG1 VAL 11 0.367 -14.350 2.741 61 HG12 VAL 11 2HG1 VAL 11 -0.956 -13.993 1.630 62 HG13 VAL 11 3HG1 VAL 11 -0.058 -12.676 2.384 63 HG21 VAL 11 3HG2 VAL 11 3.033 -13.169 0.408 64 HG22 VAL 11 1HG2 VAL 11 2.753 -13.831 2.019 65 HG23 VAL 11 2HG2 VAL 11 2.270 -12.176 1.650 66 H THR 12 H THR 12 0.451 -14.201 -2.125 67 HA THR 12 HA THR 12 2.805 -15.339 -3.425 68 HB THR 12 HB THR 12 0.418 -13.977 -4.699 69 HG1 THR 12 1HG THR 12 0.900 -16.637 -3.868 70 HG21 THR 12 3HG2 THR 12 2.425 -14.079 -6.126 71 HG22 THR 12 1HG2 THR 12 1.138 -15.121 -6.732 72 HG23 THR 12 2HG2 THR 12 2.508 -15.822 -5.871 73 H GLY 13 H GLY 13 1.268 -12.239 -2.768 74 HA2 GLY 13 2HA GLY 13 3.338 -10.753 -4.146 75 HA3 GLY 13 1HA GLY 13 2.037 -10.078 -3.170 76 HA PRO 14 HA PRO 14 6.012 -11.377 -0.584 77 HB2 PRO 14 2HB PRO 14 8.137 -9.957 -1.594 78 HB3 PRO 14 1HB PRO 14 7.803 -11.647 -1.980 79 HG2 PRO 14 2HG PRO 14 7.188 -9.184 -3.553 80 HG3 PRO 14 1HG PRO 14 7.758 -10.764 -4.120 81 HD2 PRO 14 2HD PRO 14 5.180 -9.996 -4.337 82 HD3 PRO 14 1HD PRO 14 5.645 -11.687 -4.065 83 H ASP 15 H ASP 15 6.547 -8.204 -2.105 84 HA ASP 15 HA ASP 15 6.730 -6.864 0.403 85 HB2 ASP 15 2HB ASP 15 6.737 -4.795 -1.028 86 HB3 ASP 15 1HB ASP 15 7.969 -5.981 -1.449 87 H ALA 16 H ALA 16 4.168 -7.751 -1.642 88 HA ALA 16 HA ALA 16 2.290 -5.752 -1.282 89 HB1 ALA 16 1HB ALA 16 0.621 -7.423 -1.859 90 HB2 ALA 16 2HB ALA 16 1.787 -8.712 -1.552 91 HB3 ALA 16 3HB ALA 16 2.048 -7.582 -2.882 92 H ASP 17 H ASP 17 2.910 -8.595 0.768 93 HA ASP 17 HA ASP 17 0.609 -8.265 2.356 94 HB2 ASP 17 2HB ASP 17 1.771 -10.399 2.244 95 HB3 ASP 17 1HB ASP 17 3.173 -9.695 3.050 96 H ARG 18 H ARG 18 4.005 -7.442 3.147 97 HA ARG 18 HA ARG 18 3.347 -6.336 5.656 98 HB2 ARG 18 2HB ARG 18 5.607 -5.172 5.483 99 HB3 ARG 18 1HB ARG 18 5.608 -6.922 5.448 100 HG2 ARG 18 2HG ARG 18 5.607 -5.418 2.879 101 HG3 ARG 18 1HG ARG 18 7.098 -5.546 3.814 102 HD2 ARG 18 2HD ARG 18 5.407 -7.886 2.931 103 HD3 ARG 18 1HD ARG 18 6.846 -7.314 2.087 104 HE ARG 18 HE ARG 18 7.843 -7.776 4.517 105 HH11 ARG 18 1HH1 ARG 18 5.735 -9.711 2.506 106 HH12 ARG 18 2HH1 ARG 18 6.283 -11.228 3.150 107 HH21 ARG 18 1HH2 ARG 18 8.625 -9.778 5.334 108 HH22 ARG 18 2HH2 ARG 18 7.936 -11.267 4.753 109 H ALA 19 H ALA 19 3.473 -4.931 2.439 110 HA ALA 19 HA ALA 19 3.151 -2.233 3.275 111 HB1 ALA 19 1HB ALA 19 2.357 -3.532 0.668 112 HB2 ALA 19 2HB ALA 19 3.931 -2.822 1.030 113 HB3 ALA 19 3HB ALA 19 2.496 -1.798 0.961 114 H ARG 20 H ARG 20 0.910 -4.761 2.271 115 HA ARG 20 HA ARG 20 -1.493 -3.354 2.502 116 HB2 ARG 20 2HB ARG 20 -1.357 -5.490 1.389 117 HB3 ARG 20 1HB ARG 20 -0.848 -6.284 2.872 118 HG2 ARG 20 2HG ARG 20 -3.047 -5.807 3.856 119 HG3 ARG 20 1HG ARG 20 -3.547 -5.067 2.332 120 HD2 ARG 20 2HD ARG 20 -4.354 -7.350 2.455 121 HD3 ARG 20 1HD ARG 20 -3.144 -7.198 1.182 122 HE ARG 20 HE ARG 20 -1.694 -8.024 3.324 123 HH11 ARG 20 1HH1 ARG 20 -4.529 -9.228 1.682 124 HH12 ARG 20 2HH1 ARG 20 -4.267 -10.886 2.148 125 HH21 ARG 20 1HH2 ARG 20 -1.292 -10.218 3.908 126 HH22 ARG 20 2HH2 ARG 20 -2.439 -11.443 3.425 127 H ALA 21 H ALA 21 0.274 -5.299 4.878 128 HA ALA 21 HA ALA 21 -1.632 -5.165 6.939 129 HB1 ALA 21 1HB ALA 21 0.236 -6.780 6.852 130 HB2 ALA 21 2HB ALA 21 0.110 -5.949 8.403 131 HB3 ALA 21 3HB ALA 21 1.349 -5.468 7.242 132 H ALA 22 H ALA 22 1.071 -3.039 6.119 133 HA ALA 22 HA ALA 22 1.011 -1.468 8.456 134 HB1 ALA 22 1HB ALA 22 2.289 0.169 7.186 135 HB2 ALA 22 2HB ALA 22 1.875 -0.655 5.684 136 HB3 ALA 22 3HB ALA 22 2.888 -1.461 6.881 137 H ALA 23 H ALA 23 -0.790 -1.272 5.444 138 HA ALA 23 HA ALA 23 -1.851 1.337 5.991 139 HB1 ALA 23 1HB ALA 23 -3.101 1.052 3.945 140 HB2 ALA 23 2HB ALA 23 -2.688 -0.661 3.903 141 HB3 ALA 23 3HB ALA 23 -1.426 0.555 3.708 142 H VAL 24 H VAL 24 -2.745 -1.836 6.906 143 HA VAL 24 HA VAL 24 -5.530 -1.678 6.994 144 HB VAL 24 HB VAL 24 -3.704 -3.129 8.920 145 HG11 VAL 24 1HG1 VAL 24 -5.640 -4.544 9.405 146 HG12 VAL 24 2HG1 VAL 24 -6.641 -3.541 8.355 147 HG13 VAL 24 3HG1 VAL 24 -5.957 -2.860 9.831 148 HG21 VAL 24 3HG2 VAL 24 -4.125 -5.084 7.520 149 HG22 VAL 24 1HG2 VAL 24 -3.370 -3.793 6.588 150 HG23 VAL 24 2HG2 VAL 24 -5.100 -4.103 6.425 151 H GLN 25 H GLN 25 -3.125 -0.520 9.297 152 HA GLN 25 HA GLN 25 -4.984 0.205 11.323 153 HB2 GLN 25 2HB GLN 25 -2.113 0.965 10.819 154 HB3 GLN 25 1HB GLN 25 -3.030 1.638 12.159 155 HG2 GLN 25 2HG GLN 25 -1.787 -0.171 13.023 156 HG3 GLN 25 1HG GLN 25 -3.460 -0.712 12.920 157 HE21 GLN 25 1HE2 GLN 25 -1.253 -0.444 10.204 158 HE22 GLN 25 2HE2 GLN 25 -1.161 -2.143 9.874 159 H ALA 26 H ALA 26 -4.301 1.564 8.328 160 HA ALA 26 HA ALA 26 -5.007 4.279 9.183 161 HB1 ALA 26 1HB ALA 26 -3.018 4.090 7.795 162 HB2 ALA 26 2HB ALA 26 -4.286 4.968 6.939 163 HB3 ALA 26 3HB ALA 26 -3.953 3.283 6.538 164 H VAL 27 H VAL 27 -6.732 1.702 8.589 165 HA VAL 27 HA VAL 27 -8.919 3.269 7.503 166 HB VAL 27 HB VAL 27 -8.027 2.292 5.474 167 HG11 VAL 27 1HG1 VAL 27 -8.333 -0.385 6.821 168 HG12 VAL 27 2HG1 VAL 27 -6.815 0.409 6.396 169 HG13 VAL 27 3HG1 VAL 27 -7.917 -0.129 5.127 170 HG21 VAL 27 3HG2 VAL 27 -10.002 1.063 4.694 171 HG22 VAL 27 1HG2 VAL 27 -10.436 2.497 5.626 172 HG23 VAL 27 2HG2 VAL 27 -10.547 0.898 6.363 173 HA PRO 28 HA PRO 28 -10.569 0.975 10.957 174 HB2 PRO 28 2HB PRO 28 -12.956 2.274 11.058 175 HB3 PRO 28 1HB PRO 28 -11.457 2.943 11.709 176 HG2 PRO 28 2HG PRO 28 -12.848 3.548 9.143 177 HG3 PRO 28 1HG PRO 28 -11.989 4.641 10.242 178 HD2 PRO 28 2HD PRO 28 -10.933 3.671 7.909 179 HD3 PRO 28 1HD PRO 28 -9.957 4.176 9.302 180 H GLY 29 H GLY 29 -10.763 -1.027 9.916 181 HA2 GLY 29 2HA GLY 29 -11.961 -2.873 9.269 182 HA3 GLY 29 1HA GLY 29 -13.418 -1.956 9.622 183 H GLY 30 H GLY 30 -10.857 -1.363 7.235 184 HA2 GLY 30 2HA GLY 30 -12.976 -1.325 5.187 185 HA3 GLY 30 1HA GLY 30 -11.514 -0.354 5.123 186 H THR 31 H THR 31 -11.643 -1.404 2.914 187 HA THR 31 HA THR 31 -10.704 -4.160 2.842 188 HB THR 31 HB THR 31 -11.332 -2.281 0.557 189 HG1 THR 31 1HG THR 31 -13.005 -4.422 1.269 190 HG21 THR 31 3HG2 THR 31 -10.951 -5.277 0.640 191 HG22 THR 31 1HG2 THR 31 -9.868 -4.107 -0.114 192 HG23 THR 31 2HG2 THR 31 -11.488 -4.358 -0.767 193 H ALA 32 H ALA 32 -8.606 -4.505 3.044 194 HA ALA 32 HA ALA 32 -6.715 -2.636 1.774 195 HB1 ALA 32 1HB ALA 32 -6.218 -4.575 4.034 196 HB2 ALA 32 2HB ALA 32 -6.416 -2.832 4.196 197 HB3 ALA 32 3HB ALA 32 -5.027 -3.484 3.326 198 H GLY 33 H GLY 33 -5.752 -3.353 -0.017 199 HA2 GLY 33 2HA GLY 33 -5.906 -6.249 -0.556 200 HA3 GLY 33 1HA GLY 33 -6.017 -5.007 -1.793 201 H GLU 34 H GLU 34 -4.255 -7.172 -1.917 202 HA GLU 34 HA GLU 34 -1.637 -6.495 -1.090 203 HB2 GLU 34 2HB GLU 34 -2.569 -8.315 -3.319 204 HB3 GLU 34 1HB GLU 34 -0.907 -8.194 -2.764 205 HG2 GLU 34 2HG GLU 34 -1.704 -10.090 -1.698 206 HG3 GLU 34 1HG GLU 34 -1.831 -8.839 -0.463 207 H VAL 35 H VAL 35 -0.013 -5.415 -2.124 208 HA VAL 35 HA VAL 35 -0.687 -4.065 -4.642 209 HB VAL 35 HB VAL 35 0.253 -1.952 -3.734 210 HG11 VAL 35 1HG1 VAL 35 -2.111 -3.027 -2.197 211 HG12 VAL 35 2HG1 VAL 35 -2.167 -2.324 -3.813 212 HG13 VAL 35 3HG1 VAL 35 -1.711 -1.327 -2.433 213 HG21 VAL 35 3HG2 VAL 35 0.453 -1.696 -1.292 214 HG22 VAL 35 1HG2 VAL 35 1.612 -2.860 -1.935 215 HG23 VAL 35 2HG2 VAL 35 0.167 -3.427 -1.099 216 H GLU 36 H GLU 36 1.130 -3.265 -5.816 217 HA GLU 36 HA GLU 36 3.622 -4.669 -5.162 218 HB2 GLU 36 2HB GLU 36 4.178 -4.574 -7.521 219 HB3 GLU 36 1HB GLU 36 2.604 -5.324 -7.303 220 HG2 GLU 36 2HG GLU 36 1.490 -3.325 -8.023 221 HG3 GLU 36 1HG GLU 36 3.019 -2.446 -8.081 222 H THR 37 H THR 37 5.632 -3.546 -5.805 223 HA THR 37 HA THR 37 5.677 -0.992 -4.561 224 HB THR 37 HB THR 37 8.129 -1.045 -5.289 225 HG1 THR 37 1HG THR 37 8.838 -2.742 -6.388 226 HG21 THR 37 3HG2 THR 37 7.027 -3.317 -3.644 227 HG22 THR 37 1HG2 THR 37 7.413 -1.698 -3.064 228 HG23 THR 37 2HG2 THR 37 8.701 -2.761 -3.631 229 H GLU 38 H GLU 38 6.280 0.997 -5.412 230 HA GLU 38 HA GLU 38 5.336 1.495 -8.088 231 HB2 GLU 38 2HB GLU 38 6.513 3.362 -6.017 232 HB3 GLU 38 1HB GLU 38 5.785 3.871 -7.534 233 HG2 GLU 38 2HG GLU 38 3.646 2.914 -6.814 234 HG3 GLU 38 1HG GLU 38 4.383 2.449 -5.282 235 H THR 39 H THR 39 6.748 0.675 -9.552 236 HA THR 39 HA THR 39 9.587 1.243 -9.329 237 HB THR 39 HB THR 39 8.108 -0.227 -11.518 238 HG1 THR 39 1HG THR 39 7.855 -1.671 -9.978 239 HG21 THR 39 3HG2 THR 39 11.020 -0.218 -10.720 240 HG22 THR 39 1HG2 THR 39 10.340 0.515 -12.172 241 HG23 THR 39 2HG2 THR 39 10.302 -1.237 -11.968 242 H GLY 40 H GLY 40 10.386 3.089 -10.098 243 HA2 GLY 40 2HA GLY 40 10.415 4.053 -12.592 244 HA3 GLY 40 1HA GLY 40 8.866 4.651 -12.016 245 H GLU 41 H GLU 41 9.234 6.787 -11.843 246 HA GLU 41 HA GLU 41 11.681 7.713 -10.535 247 HB2 GLU 41 2HB GLU 41 9.556 9.165 -12.117 248 HB3 GLU 41 1HB GLU 41 10.845 9.995 -11.260 249 HG2 GLU 41 2HG GLU 41 11.453 9.825 -13.554 250 HG3 GLU 41 1HG GLU 41 12.490 8.742 -12.630 251 H GLY 42 H GLY 42 11.231 9.856 -9.234 252 HA2 GLY 42 2HA GLY 42 9.794 11.001 -7.710 253 HA3 GLY 42 1HA GLY 42 8.833 9.534 -7.564 254 H ALA 43 H ALA 43 9.133 10.175 -5.231 255 HA ALA 43 HA ALA 43 11.630 8.982 -4.207 256 HB1 ALA 43 1HB ALA 43 9.843 10.979 -2.820 257 HB2 ALA 43 2HB ALA 43 11.358 11.364 -3.638 258 HB3 ALA 43 3HB ALA 43 11.365 10.330 -2.208 259 H ALA 44 H ALA 44 8.684 8.075 -4.895 260 HA ALA 44 HA ALA 44 7.925 6.884 -2.350 261 HB1 ALA 44 1HB ALA 44 6.197 7.887 -3.780 262 HB2 ALA 44 2HB ALA 44 5.910 6.170 -3.502 263 HB3 ALA 44 3HB ALA 44 6.575 6.714 -5.042 264 H ALA 45 H ALA 45 7.175 4.513 -2.510 265 HA ALA 45 HA ALA 45 8.815 2.904 -4.291 266 HB1 ALA 45 1HB ALA 45 10.307 3.346 -2.405 267 HB2 ALA 45 2HB ALA 45 9.862 1.641 -2.495 268 HB3 ALA 45 3HB ALA 45 9.100 2.689 -1.300 269 H TYR 46 H TYR 46 6.393 3.053 -1.720 270 HA TYR 46 HA TYR 46 5.245 0.562 -2.807 271 HB2 TYR 46 2HB TYR 46 5.281 1.469 0.087 272 HB3 TYR 46 1HB TYR 46 4.379 0.086 -0.511 273 HD1 TYR 46 2HD TYR 46 7.802 1.423 -0.009 274 HD2 TYR 46 1HD TYR 46 5.417 -2.018 -0.777 275 HE1 TYR 46 2HE TYR 46 9.760 -0.012 0.378 276 HE2 TYR 46 1HE TYR 46 7.370 -3.464 -0.390 277 HH TYR 46 HH TYR 46 9.769 -3.363 -0.409 278 H GLY 47 H GLY 47 3.156 0.740 -3.461 279 HA2 GLY 47 2HA GLY 47 1.644 3.077 -2.464 280 HA3 GLY 47 1HA GLY 47 1.506 2.484 -4.116 281 H VAL 48 H VAL 48 0.095 2.430 -1.115 282 HA VAL 48 HA VAL 48 -1.002 -0.278 -1.506 283 HB VAL 48 HB VAL 48 -1.098 1.295 1.068 284 HG11 VAL 48 1HG1 VAL 48 -1.448 -1.638 0.454 285 HG12 VAL 48 2HG1 VAL 48 -2.719 -0.498 0.899 286 HG13 VAL 48 3HG1 VAL 48 -1.467 -0.923 2.066 287 HG21 VAL 48 3HG2 VAL 48 1.242 0.983 0.460 288 HG22 VAL 48 1HG2 VAL 48 0.964 -0.743 0.225 289 HG23 VAL 48 2HG2 VAL 48 0.812 -0.037 1.835 290 H LEU 49 H LEU 49 -3.067 -0.476 -2.040 291 HA LEU 49 HA LEU 49 -4.769 1.872 -2.067 292 HB2 LEU 49 2HB LEU 49 -6.325 0.486 -3.335 293 HB3 LEU 49 1HB LEU 49 -4.722 0.433 -4.036 294 HG LEU 49 HG LEU 49 -4.629 -1.775 -2.465 295 HD11 LEU 49 1HD1 LEU 49 -7.486 -1.535 -3.393 296 HD12 LEU 49 2HD1 LEU 49 -6.926 -1.571 -1.721 297 HD13 LEU 49 3HD1 LEU 49 -6.739 -2.995 -2.746 298 HD21 LEU 49 3HD2 LEU 49 -4.017 -1.640 -4.824 299 HD22 LEU 49 1HD2 LEU 49 -5.723 -1.628 -5.271 300 HD23 LEU 49 2HD2 LEU 49 -5.021 -3.054 -4.505 301 H VAL 50 H VAL 50 -6.321 2.296 -0.639 302 HA VAL 50 HA VAL 50 -7.251 0.125 1.106 303 HB VAL 50 HB VAL 50 -7.461 1.936 2.936 304 HG11 VAL 50 1HG1 VAL 50 -4.743 0.890 2.148 305 HG12 VAL 50 2HG1 VAL 50 -5.965 0.007 3.063 306 HG13 VAL 50 3HG1 VAL 50 -5.213 1.445 3.755 307 HG21 VAL 50 3HG2 VAL 50 -5.727 3.672 2.864 308 HG22 VAL 50 1HG2 VAL 50 -6.898 3.869 1.558 309 HG23 VAL 50 2HG2 VAL 50 -5.309 3.180 1.223 310 H THR 51 H THR 51 -9.304 -0.158 0.807 311 HA THR 51 HA THR 51 -10.908 2.032 -0.300 312 HB THR 51 HB THR 51 -11.689 -0.875 -0.044 313 HG1 THR 51 1HG THR 51 -9.703 -0.102 -1.423 314 HG21 THR 51 3HG2 THR 51 -13.529 0.695 -0.456 315 HG22 THR 51 1HG2 THR 51 -13.239 -0.333 -1.859 316 HG23 THR 51 2HG2 THR 51 -12.669 1.335 -1.856 317 H ARG 52 H ARG 52 -12.194 3.146 1.024 318 HA ARG 52 HA ARG 52 -12.949 2.181 3.620 319 HB2 ARG 52 2HB ARG 52 -13.520 4.616 1.993 320 HB3 ARG 52 1HB ARG 52 -14.657 4.208 3.267 321 HG2 ARG 52 2HG ARG 52 -13.079 5.790 4.102 322 HG3 ARG 52 1HG ARG 52 -12.792 4.237 4.884 323 HD2 ARG 52 2HD ARG 52 -10.891 3.821 3.470 324 HD3 ARG 52 1HD ARG 52 -11.228 5.274 2.525 325 HE ARG 52 HE ARG 52 -10.904 6.421 4.833 326 HH11 ARG 52 1HH1 ARG 52 -9.057 3.712 3.583 327 HH12 ARG 52 2HH1 ARG 52 -7.656 4.074 4.537 328 HH21 ARG 52 1HH2 ARG 52 -9.071 6.885 6.073 329 HH22 ARG 52 2HH2 ARG 52 -7.668 5.869 5.974 330 HA PRO 53 HA PRO 53 -16.358 -0.285 2.309 331 HB2 PRO 53 2HB PRO 53 -17.601 0.225 4.921 332 HB3 PRO 53 1HB PRO 53 -16.984 -1.286 4.248 333 HG2 PRO 53 2HG PRO 53 -15.735 -0.015 6.259 334 HG3 PRO 53 1HG PRO 53 -14.840 -0.907 5.012 335 HD2 PRO 53 2HD PRO 53 -15.305 2.043 5.269 336 HD3 PRO 53 1HD PRO 53 -13.820 1.173 4.828 337 H ASP 54 H ASP 54 -16.517 2.858 2.262 338 HA ASP 54 HA ASP 54 -19.447 2.995 2.104 339 HB2 ASP 54 2HB ASP 54 -18.085 4.616 3.602 340 HB3 ASP 54 1HB ASP 54 -17.648 5.401 2.086 341 H GLY 55 H GLY 55 -16.592 2.883 0.286 342 HA2 GLY 55 2HA GLY 55 -17.016 2.474 -2.131 343 HA3 GLY 55 1HA GLY 55 -18.025 3.911 -2.087 344 H THR 56 H THR 56 -15.930 5.091 -0.194 345 HA THR 56 HA THR 56 -14.377 6.357 -2.241 346 HB THR 56 HB THR 56 -13.297 7.371 -0.019 347 HG1 THR 56 1HG THR 56 -15.302 7.464 1.447 348 HG21 THR 56 3HG2 THR 56 -14.512 8.656 -1.687 349 HG22 THR 56 1HG2 THR 56 -15.068 9.093 -0.072 350 HG23 THR 56 2HG2 THR 56 -16.045 8.029 -1.084 351 H ARG 57 H ARG 57 -12.597 5.570 -3.045 352 HA ARG 57 HA ARG 57 -10.946 3.770 -1.391 353 HB2 ARG 57 2HB ARG 57 -12.000 2.564 -3.198 354 HB3 ARG 57 1HB ARG 57 -11.484 3.770 -4.362 355 HG2 ARG 57 2HG ARG 57 -9.179 3.110 -4.083 356 HG3 ARG 57 1HG ARG 57 -9.638 1.961 -2.822 357 HD2 ARG 57 2HD ARG 57 -9.277 0.942 -5.083 358 HD3 ARG 57 1HD ARG 57 -10.861 0.625 -4.373 359 HE ARG 57 HE ARG 57 -10.506 2.806 -6.320 360 HH11 ARG 57 1HH1 ARG 57 -11.961 -0.251 -5.400 361 HH12 ARG 57 2HH1 ARG 57 -13.160 -0.195 -6.659 362 HH21 ARG 57 1HH2 ARG 57 -12.113 2.872 -7.976 363 HH22 ARG 57 2HH2 ARG 57 -13.246 1.561 -8.108 364 H VAL 58 H VAL 58 -9.015 4.557 -0.887 365 HA VAL 58 HA VAL 58 -7.769 6.492 -2.727 366 HB VAL 58 HB VAL 58 -6.713 7.569 -0.755 367 HG11 VAL 58 1HG1 VAL 58 -9.728 7.543 -0.722 368 HG12 VAL 58 2HG1 VAL 58 -8.704 8.554 -1.740 369 HG13 VAL 58 3HG1 VAL 58 -8.704 8.779 0.009 370 HG21 VAL 58 3HG2 VAL 58 -7.651 7.152 1.481 371 HG22 VAL 58 1HG2 VAL 58 -6.828 5.736 0.828 372 HG23 VAL 58 2HG2 VAL 58 -8.590 5.812 0.823 373 H GLU 59 H GLU 59 -5.381 6.586 -2.501 374 HA GLU 59 HA GLU 59 -4.286 3.994 -1.640 375 HB2 GLU 59 2HB GLU 59 -2.662 4.130 -3.482 376 HB3 GLU 59 1HB GLU 59 -4.316 4.070 -4.070 377 HG2 GLU 59 2HG GLU 59 -4.262 6.503 -4.407 378 HG3 GLU 59 1HG GLU 59 -2.578 6.517 -3.882 379 H VAL 60 H VAL 60 -2.554 4.049 -0.364 380 HA VAL 60 HA VAL 60 -1.533 6.702 0.374 381 HB VAL 60 HB VAL 60 -1.141 4.100 1.862 382 HG11 VAL 60 1HG1 VAL 60 -0.749 6.970 2.696 383 HG12 VAL 60 2HG1 VAL 60 0.519 5.783 2.386 384 HG13 VAL 60 3HG1 VAL 60 -0.579 5.567 3.750 385 HG21 VAL 60 3HG2 VAL 60 -3.511 4.586 1.778 386 HG22 VAL 60 1HG2 VAL 60 -3.215 6.241 2.314 387 HG23 VAL 60 2HG2 VAL 60 -2.889 4.891 3.401 388 H HIS 61 H HIS 61 0.386 7.276 -0.376 389 HA HIS 61 HA HIS 61 2.079 5.240 -1.603 390 HB2 HIS 61 2HB HIS 61 2.114 8.253 -1.750 391 HB3 HIS 61 1HB HIS 61 3.347 7.235 -2.488 392 HD1 HIS 61 1HD HIS 61 0.367 8.941 -3.384 393 HD2 HIS 61 2HD HIS 61 1.910 5.174 -4.240 394 HE1 HIS 61 1HE HIS 61 -0.802 8.182 -5.469 395 HE2 HIS 61 2HE HIS 61 -0.095 5.789 -5.756 396 H LEU 62 H LEU 62 3.785 4.481 -0.695 397 HA LEU 62 HA LEU 62 4.723 5.689 1.823 398 HB2 LEU 62 2HB LEU 62 4.018 2.949 0.992 399 HB3 LEU 62 1HB LEU 62 5.492 3.074 1.927 400 HG LEU 62 HG LEU 62 4.388 3.607 3.862 401 HD11 LEU 62 1HD1 LEU 62 2.124 4.727 2.211 402 HD12 LEU 62 2HD1 LEU 62 3.363 5.665 3.045 403 HD13 LEU 62 3HD1 LEU 62 2.203 4.714 3.972 404 HD21 LEU 62 3HD2 LEU 62 3.578 1.434 3.085 405 HD22 LEU 62 1HD2 LEU 62 2.222 2.232 2.289 406 HD23 LEU 62 2HD2 LEU 62 2.365 2.280 4.046 407 H ASP 63 H ASP 63 6.925 5.429 2.337 408 HA ASP 63 HA ASP 63 8.706 5.466 0.037 409 HB2 ASP 63 2HB ASP 63 9.004 7.260 1.606 410 HB3 ASP 63 1HB ASP 63 9.047 6.149 2.967 411 H ARG 64 H ARG 64 10.917 4.408 0.508 412 HA ARG 64 HA ARG 64 10.688 1.675 0.319 413 HB2 ARG 64 2HB ARG 64 13.021 3.385 1.173 414 HB3 ARG 64 1HB ARG 64 13.155 1.667 0.815 415 HG2 ARG 64 2HG ARG 64 12.794 1.961 -1.429 416 HG3 ARG 64 1HG ARG 64 11.926 3.481 -1.202 417 HD2 ARG 64 2HD ARG 64 14.855 3.182 -0.601 418 HD3 ARG 64 1HD ARG 64 14.260 3.620 -2.200 419 HE ARG 64 HE ARG 64 13.080 5.380 -0.413 420 HH11 ARG 64 1HH1 ARG 64 16.328 4.512 -1.359 421 HH12 ARG 64 2HH1 ARG 64 16.962 6.122 -1.187 422 HH21 ARG 64 1HH2 ARG 64 13.889 7.512 -0.176 423 HH22 ARG 64 2HH2 ARG 64 15.571 7.831 -0.490 424 H ASP 65 H ASP 65 11.481 3.545 3.254 425 HA ASP 65 HA ASP 65 11.368 1.059 4.800 426 HB2 ASP 65 2HB ASP 65 12.250 3.846 5.558 427 HB3 ASP 65 1HB ASP 65 12.135 2.521 6.709 428 H PHE 66 H PHE 66 9.047 2.431 3.580 429 HA PHE 66 HA PHE 66 6.854 2.574 4.035 430 HB2 PHE 66 2HB PHE 66 7.842 1.188 6.480 431 HB3 PHE 66 1HB PHE 66 6.175 1.762 6.440 432 HD1 PHE 66 2HD PHE 66 4.863 1.172 4.270 433 HD2 PHE 66 1HD PHE 66 8.292 -0.941 5.645 434 HE1 PHE 66 2HE PHE 66 4.189 -0.780 2.942 435 HE2 PHE 66 1HE PHE 66 7.624 -2.893 4.308 436 HZ PHE 66 HZ PHE 66 5.569 -2.810 2.960 437 H ARG 67 H ARG 67 8.599 4.870 4.590 438 HA ARG 67 HA ARG 67 7.173 6.331 6.621 439 HB2 ARG 67 2HB ARG 67 9.174 7.070 4.516 440 HB3 ARG 67 1HB ARG 67 8.210 8.336 5.258 441 HG2 ARG 67 2HG ARG 67 10.192 8.279 6.482 442 HG3 ARG 67 1HG ARG 67 9.015 7.437 7.488 443 HD2 ARG 67 2HD ARG 67 10.967 6.137 7.582 444 HD3 ARG 67 1HD ARG 67 9.895 5.292 6.465 445 HE ARG 67 HE ARG 67 11.236 6.339 4.637 446 HH11 ARG 67 1HH1 ARG 67 12.582 6.031 7.842 447 HH12 ARG 67 2HH1 ARG 67 14.225 5.923 7.300 448 HH21 ARG 67 1HH2 ARG 67 13.384 6.194 3.889 449 HH22 ARG 67 2HH2 ARG 67 14.685 6.015 5.027 450 H VAL 68 H VAL 68 5.222 7.263 6.392 451 HA VAL 68 HA VAL 68 3.783 6.989 3.959 452 HB VAL 68 HB VAL 68 2.553 6.914 6.028 453 HG11 VAL 68 1HG1 VAL 68 2.279 8.867 7.478 454 HG12 VAL 68 2HG1 VAL 68 3.426 9.763 6.481 455 HG13 VAL 68 3HG1 VAL 68 3.965 8.352 7.391 456 HG21 VAL 68 3HG2 VAL 68 1.342 7.744 4.099 457 HG22 VAL 68 1HG2 VAL 68 1.860 9.392 4.459 458 HG23 VAL 68 2HG2 VAL 68 0.777 8.548 5.564 459 H LEU 69 H LEU 69 3.853 8.238 2.220 460 HA LEU 69 HA LEU 69 5.146 10.851 2.445 461 HB2 LEU 69 2HB LEU 69 4.430 9.225 0.001 462 HB3 LEU 69 1HB LEU 69 5.287 10.754 -0.018 463 HG LEU 69 HG LEU 69 6.292 8.167 1.170 464 HD11 LEU 69 1HD1 LEU 69 6.324 8.197 -1.258 465 HD12 LEU 69 2HD1 LEU 69 7.962 8.301 -0.611 466 HD13 LEU 69 3HD1 LEU 69 7.167 9.745 -1.240 467 HD21 LEU 69 3HD2 LEU 69 7.049 10.078 2.482 468 HD22 LEU 69 1HD2 LEU 69 7.613 10.873 1.011 469 HD23 LEU 69 2HD2 LEU 69 8.380 9.381 1.556 470 H ASP 70 H ASP 70 2.343 9.484 0.693 471 HA ASP 70 HA ASP 70 0.815 11.887 1.271 472 HB2 ASP 70 2HB ASP 70 2.295 12.212 -0.852 473 HB3 ASP 70 1HB ASP 70 1.134 11.138 -1.622 474 H THR 71 H THR 71 -1.396 11.698 0.177 475 HA THR 71 HA THR 71 -2.251 8.954 -0.281 476 HB THR 71 HB THR 71 -3.508 10.627 1.909 477 HG1 THR 71 1HG THR 71 -1.380 8.906 1.913 478 HG21 THR 71 3HG2 THR 71 -4.000 7.772 1.034 479 HG22 THR 71 1HG2 THR 71 -5.095 9.134 0.798 480 HG23 THR 71 2HG2 THR 71 -4.743 8.557 2.428 481 H GLU 72 H GLU 72 -3.403 9.072 -2.072 482 HA GLU 72 HA GLU 72 -5.316 11.273 -2.394 483 HB2 GLU 72 2HB GLU 72 -4.739 11.203 -4.881 484 HB3 GLU 72 1HB GLU 72 -3.573 11.975 -3.818 485 HG2 GLU 72 2HG GLU 72 -3.144 9.106 -4.328 486 HG3 GLU 72 1HG GLU 72 -2.933 10.179 -5.711 487 HA PRO 73 HA PRO 73 -8.327 8.232 -3.478 488 HB2 PRO 73 2HB PRO 73 -9.449 9.296 -5.765 489 HB3 PRO 73 1HB PRO 73 -9.865 9.781 -4.119 490 HG2 PRO 73 2HG PRO 73 -8.015 11.088 -6.068 491 HG3 PRO 73 1HG PRO 73 -9.169 11.831 -4.944 492 HD2 PRO 73 2HD PRO 73 -6.536 11.770 -4.425 493 HD3 PRO 73 1HD PRO 73 -7.740 11.595 -3.131 494 H ALA 74 H ALA 74 -8.526 6.397 -4.654 495 HA ALA 74 HA ALA 74 -6.793 6.124 -7.022 496 HB1 ALA 74 1HB ALA 74 -5.769 5.029 -5.090 497 HB2 ALA 74 2HB ALA 74 -6.261 3.853 -6.309 498 HB3 ALA 74 3HB ALA 74 -7.233 4.074 -4.855 499 H ASP 75 H ASP 75 -7.889 5.543 -8.779 500 HA ASP 75 HA ASP 75 -10.130 3.696 -8.528 501 HB2 ASP 75 2HB ASP 75 -11.038 6.064 -8.450 502 HB3 ASP 75 1HB ASP 75 -10.441 6.260 -10.095 503 H GLY 76 H GLY 76 -9.494 2.098 -9.791 504 HA2 GLY 76 2HA GLY 76 -7.766 2.398 -12.021 505 HA3 GLY 76 1HA GLY 76 -8.679 0.952 -11.607 506 H ASP 77 H ASP 77 -8.680 3.943 -13.379 507 HA ASP 77 HA ASP 77 -11.329 3.904 -14.304 508 HB2 ASP 77 2HB ASP 77 -9.806 5.875 -14.407 509 HB3 ASP 77 1HB ASP 77 -8.928 5.084 -15.715 510 H GLY 78 H GLY 78 -8.387 2.432 -15.582 511 HA2 GLY 78 2HA GLY 78 -9.552 0.228 -16.659 512 HA3 GLY 78 1HA GLY 78 -9.722 1.431 -17.929 513 H GLY 79 H GLY 79 -7.263 2.793 -17.493 514 HA2 GLY 79 2HA GLY 79 -5.643 1.110 -19.136 515 HA3 GLY 79 1HA GLY 79 -5.219 2.707 -18.544 516 H LEU 80 H LEU 80 -4.285 -0.389 -18.542 517 HA LEU 80 HA LEU 80 -2.799 -0.057 -16.019 518 HB2 LEU 80 2HB LEU 80 -3.696 -2.628 -17.336 519 HB3 LEU 80 1HB LEU 80 -2.657 -2.535 -15.928 520 HG LEU 80 HG LEU 80 -5.518 -1.572 -16.035 521 HD11 LEU 80 1HD1 LEU 80 -5.994 -3.493 -14.605 522 HD12 LEU 80 2HD1 LEU 80 -4.318 -4.022 -14.753 523 HD13 LEU 80 3HD1 LEU 80 -5.365 -3.999 -16.172 524 HD21 LEU 80 3HD2 LEU 80 -3.620 -1.836 -13.707 525 HD22 LEU 80 1HD2 LEU 80 -5.303 -1.312 -13.631 526 HD23 LEU 80 2HD2 LEU 80 -4.105 -0.319 -14.464 527 H GLU 81 H GLU 81 -0.708 0.319 -16.397 528 HA GLU 81 HA GLU 81 0.447 -0.700 -18.904 529 HB2 GLU 81 2HB GLU 81 1.856 1.328 -18.952 530 HB3 GLU 81 1HB GLU 81 0.141 1.703 -19.047 531 HG2 GLU 81 2HG GLU 81 0.143 2.255 -16.654 532 HG3 GLU 81 1HG GLU 81 1.872 1.921 -16.592 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 7.818 6.733 16.519 2 H2 GLY 1 2HT GLY 1 9.341 6.395 15.858 3 H3 GLY 1 3HT GLY 1 8.629 5.306 16.945 4 HA2 GLY 1 1HA GLY 1 6.832 4.902 15.356 5 HA3 GLY 1 2HA GLY 1 7.657 5.963 14.222 6 H ALA 2 H ALA 2 7.017 3.219 13.784 7 HA ALA 2 HA ALA 2 9.703 2.000 13.790 8 HB1 ALA 2 1HB ALA 2 7.013 0.640 13.817 9 HB2 ALA 2 2HB ALA 2 8.150 0.743 15.163 10 HB3 ALA 2 3HB ALA 2 8.571 -0.179 13.720 11 H MET 3 H MET 3 10.559 1.346 11.901 12 HA MET 3 HA MET 3 9.075 1.892 9.451 13 HB2 MET 3 2HB MET 3 11.953 1.205 10.027 14 HB3 MET 3 1HB MET 3 11.313 1.205 8.392 15 HG2 MET 3 2HG MET 3 12.424 3.280 8.799 16 HG3 MET 3 1HG MET 3 10.692 3.573 8.670 17 HE1 MET 3 3HE MET 3 12.073 6.241 11.264 18 HE2 MET 3 1HE MET 3 11.234 6.029 9.726 19 HE3 MET 3 2HE MET 3 12.931 5.572 9.876 20 H ALA 4 H ALA 4 7.929 0.327 8.528 21 HA ALA 4 HA ALA 4 8.010 -2.310 9.642 22 HB1 ALA 4 1HB ALA 4 6.326 -1.214 7.397 23 HB2 ALA 4 2HB ALA 4 5.883 -1.255 9.103 24 HB3 ALA 4 3HB ALA 4 6.083 -2.760 8.208 25 H PHE 5 H PHE 5 10.167 -2.905 8.980 26 HA PHE 5 HA PHE 5 10.128 -4.014 6.249 27 HB2 PHE 5 2HB PHE 5 12.523 -3.113 7.861 28 HB3 PHE 5 1HB PHE 5 12.612 -3.947 6.314 29 HD1 PHE 5 2HD PHE 5 11.498 -2.833 4.312 30 HD2 PHE 5 1HD PHE 5 12.347 -0.809 7.953 31 HE1 PHE 5 2HE PHE 5 11.340 -0.674 3.143 32 HE2 PHE 5 1HE PHE 5 12.185 1.352 6.795 33 HZ PHE 5 HZ PHE 5 11.679 1.423 4.388 34 H ASP 6 H ASP 6 8.844 -5.448 7.818 35 HA ASP 6 HA ASP 6 10.494 -7.736 8.519 36 HB2 ASP 6 2HB ASP 6 10.133 -6.151 10.553 37 HB3 ASP 6 1HB ASP 6 8.462 -6.696 10.498 38 H GLY 7 H GLY 7 7.975 -8.789 9.945 39 HA2 GLY 7 2HA GLY 7 5.654 -8.490 8.542 40 HA3 GLY 7 1HA GLY 7 6.572 -9.626 7.565 41 H GLU 8 H GLU 8 4.286 -10.556 8.401 42 HA GLU 8 HA GLU 8 4.618 -11.973 10.915 43 HB2 GLU 8 2HB GLU 8 2.458 -12.056 8.803 44 HB3 GLU 8 1HB GLU 8 2.420 -13.007 10.282 45 HG2 GLU 8 2HG GLU 8 2.564 -10.006 10.206 46 HG3 GLU 8 1HG GLU 8 1.071 -10.927 10.367 47 H ASP 9 H ASP 9 3.856 -14.484 10.602 48 HA ASP 9 HA ASP 9 5.937 -15.562 8.860 49 HB2 ASP 9 2HB ASP 9 5.658 -16.291 11.295 50 HB3 ASP 9 1HB ASP 9 4.216 -17.154 10.761 51 H GLU 10 H GLU 10 2.670 -14.925 8.819 52 HA GLU 10 HA GLU 10 1.921 -17.038 6.989 53 HB2 GLU 10 2HB GLU 10 0.432 -14.501 7.707 54 HB3 GLU 10 1HB GLU 10 -0.225 -15.871 6.826 55 HG2 GLU 10 2HG GLU 10 -1.060 -16.125 8.972 56 HG3 GLU 10 1HG GLU 10 0.304 -17.238 8.917 57 H VAL 11 H VAL 11 4.044 -16.086 5.887 58 HA VAL 11 HA VAL 11 3.937 -13.672 4.496 59 HB VAL 11 HB VAL 11 5.774 -14.697 3.058 60 HG11 VAL 11 1HG1 VAL 11 6.227 -13.295 4.990 61 HG12 VAL 11 2HG1 VAL 11 7.401 -14.608 4.893 62 HG13 VAL 11 3HG1 VAL 11 6.080 -14.690 6.059 63 HG21 VAL 11 3HG2 VAL 11 6.783 -16.764 3.911 64 HG22 VAL 11 1HG2 VAL 11 5.150 -17.040 3.302 65 HG23 VAL 11 2HG2 VAL 11 5.440 -16.950 5.039 66 H THR 12 H THR 12 2.103 -13.375 3.375 67 HA THR 12 HA THR 12 1.474 -15.152 1.150 68 HB THR 12 HB THR 12 -0.439 -14.374 2.380 69 HG1 THR 12 1HG THR 12 -0.487 -12.677 0.101 70 HG21 THR 12 3HG2 THR 12 -0.977 -11.996 2.639 71 HG22 THR 12 1HG2 THR 12 0.556 -11.572 1.874 72 HG23 THR 12 2HG2 THR 12 0.546 -12.411 3.424 73 H GLY 13 H GLY 13 3.089 -12.235 1.897 74 HA2 GLY 13 2HA GLY 13 4.025 -12.026 -0.845 75 HA3 GLY 13 1HA GLY 13 3.188 -10.616 -0.203 76 HA PRO 14 HA PRO 14 7.805 -11.197 1.268 77 HB2 PRO 14 2HB PRO 14 8.538 -9.481 -1.022 78 HB3 PRO 14 1HB PRO 14 9.337 -10.929 -0.402 79 HG2 PRO 14 2HG PRO 14 7.952 -10.954 -2.693 80 HG3 PRO 14 1HG PRO 14 7.982 -12.354 -1.608 81 HD2 PRO 14 2HD PRO 14 5.842 -10.313 -2.026 82 HD3 PRO 14 1HD PRO 14 5.697 -12.058 -1.730 83 H ASP 15 H ASP 15 7.187 -8.254 -0.650 84 HA ASP 15 HA ASP 15 7.594 -6.638 1.747 85 HB2 ASP 15 2HB ASP 15 7.304 -5.957 -1.179 86 HB3 ASP 15 1HB ASP 15 7.301 -4.719 0.073 87 H ALA 16 H ALA 16 5.121 -7.876 -0.240 88 HA ALA 16 HA ALA 16 3.051 -6.052 0.148 89 HB1 ALA 16 1HB ALA 16 2.919 -7.862 -1.468 90 HB2 ALA 16 2HB ALA 16 1.544 -7.917 -0.365 91 HB3 ALA 16 3HB ALA 16 2.882 -9.048 -0.163 92 H ASP 17 H ASP 17 4.240 -8.636 2.214 93 HA ASP 17 HA ASP 17 2.068 -8.944 3.926 94 HB2 ASP 17 2HB ASP 17 4.165 -10.366 3.833 95 HB3 ASP 17 1HB ASP 17 4.961 -9.117 4.783 96 H ARG 18 H ARG 18 4.955 -6.889 4.504 97 HA ARG 18 HA ARG 18 3.852 -5.776 6.869 98 HB2 ARG 18 2HB ARG 18 5.714 -4.078 6.675 99 HB3 ARG 18 1HB ARG 18 6.207 -5.753 6.793 100 HG2 ARG 18 2HG ARG 18 5.934 -4.560 4.088 101 HG3 ARG 18 1HG ARG 18 7.318 -4.100 5.083 102 HD2 ARG 18 2HD ARG 18 7.638 -6.624 5.439 103 HD3 ARG 18 1HD ARG 18 6.548 -6.816 4.068 104 HE ARG 18 HE ARG 18 8.266 -5.279 2.912 105 HH11 ARG 18 1HH1 ARG 18 8.994 -7.736 5.298 106 HH12 ARG 18 2HH1 ARG 18 10.597 -8.026 4.690 107 HH21 ARG 18 1HH2 ARG 18 10.354 -5.666 2.096 108 HH22 ARG 18 2HH2 ARG 18 11.371 -6.853 2.869 109 H ALA 19 H ALA 19 3.843 -4.726 3.519 110 HA ALA 19 HA ALA 19 2.979 -2.068 4.039 111 HB1 ALA 19 1HB ALA 19 2.688 -3.718 1.527 112 HB2 ALA 19 2HB ALA 19 4.058 -2.686 1.939 113 HB3 ALA 19 3HB ALA 19 2.472 -1.973 1.649 114 H ARG 20 H ARG 20 1.295 -5.074 3.260 115 HA ARG 20 HA ARG 20 -1.300 -3.907 3.180 116 HB2 ARG 20 2HB ARG 20 -0.790 -6.009 2.037 117 HB3 ARG 20 1HB ARG 20 -0.440 -6.776 3.578 118 HG2 ARG 20 2HG ARG 20 -2.785 -6.412 4.254 119 HG3 ARG 20 1HG ARG 20 -3.109 -5.750 2.649 120 HD2 ARG 20 2HD ARG 20 -2.588 -7.842 1.608 121 HD3 ARG 20 1HD ARG 20 -2.001 -8.510 3.131 122 HE ARG 20 HE ARG 20 -4.801 -7.675 2.995 123 HH11 ARG 20 1HH1 ARG 20 -2.485 -10.287 2.857 124 HH12 ARG 20 2HH1 ARG 20 -3.621 -11.491 3.384 125 HH21 ARG 20 1HH2 ARG 20 -6.310 -9.264 3.673 126 HH22 ARG 20 2HH2 ARG 20 -5.787 -10.918 3.853 127 H ALA 21 H ALA 21 0.649 -5.451 5.686 128 HA ALA 21 HA ALA 21 -1.380 -5.668 7.638 129 HB1 ALA 21 1HB ALA 21 1.598 -5.427 8.033 130 HB2 ALA 21 2HB ALA 21 0.714 -6.926 7.747 131 HB3 ALA 21 3HB ALA 21 0.435 -6.005 9.226 132 H ALA 22 H ALA 22 0.532 -2.995 6.562 133 HA ALA 22 HA ALA 22 0.091 -1.396 8.920 134 HB1 ALA 22 1HB ALA 22 2.114 -1.112 7.575 135 HB2 ALA 22 2HB ALA 22 1.188 0.386 7.673 136 HB3 ALA 22 3HB ALA 22 1.134 -0.591 6.206 137 H ALA 23 H ALA 23 -1.470 -1.918 5.866 138 HA ALA 23 HA ALA 23 -2.850 0.510 5.601 139 HB1 ALA 23 1HB ALA 23 -3.649 -2.213 4.594 140 HB2 ALA 23 2HB ALA 23 -2.568 -1.088 3.774 141 HB3 ALA 23 3HB ALA 23 -4.264 -0.667 4.010 142 H VAL 24 H VAL 24 -3.556 -2.342 7.498 143 HA VAL 24 HA VAL 24 -6.342 -1.867 7.770 144 HB VAL 24 HB VAL 24 -5.206 -4.078 8.098 145 HG11 VAL 24 1HG1 VAL 24 -4.305 -4.625 10.299 146 HG12 VAL 24 2HG1 VAL 24 -4.494 -2.944 10.798 147 HG13 VAL 24 3HG1 VAL 24 -3.362 -3.360 9.511 148 HG21 VAL 24 3HG2 VAL 24 -7.523 -3.771 8.720 149 HG22 VAL 24 1HG2 VAL 24 -7.043 -3.143 10.298 150 HG23 VAL 24 2HG2 VAL 24 -6.718 -4.826 9.881 151 H GLN 25 H GLN 25 -3.647 -0.371 9.233 152 HA GLN 25 HA GLN 25 -5.130 0.555 11.550 153 HB2 GLN 25 2HB GLN 25 -2.355 1.057 10.516 154 HB3 GLN 25 1HB GLN 25 -3.051 2.130 11.719 155 HG2 GLN 25 2HG GLN 25 -1.802 0.585 12.938 156 HG3 GLN 25 1HG GLN 25 -3.472 0.058 13.118 157 HE21 GLN 25 1HE2 GLN 25 -1.547 -0.433 10.239 158 HE22 GLN 25 2HE2 GLN 25 -1.440 -2.157 10.377 159 H ALA 26 H ALA 26 -4.326 1.627 8.342 160 HA ALA 26 HA ALA 26 -5.002 4.383 8.831 161 HB1 ALA 26 1HB ALA 26 -3.283 3.737 7.189 162 HB2 ALA 26 2HB ALA 26 -4.560 4.724 6.479 163 HB3 ALA 26 3HB ALA 26 -4.534 2.981 6.203 164 H VAL 27 H VAL 27 -6.606 1.541 7.563 165 HA VAL 27 HA VAL 27 -8.973 3.195 6.987 166 HB VAL 27 HB VAL 27 -8.078 1.973 5.030 167 HG11 VAL 27 1HG1 VAL 27 -8.766 -0.511 6.588 168 HG12 VAL 27 2HG1 VAL 27 -7.150 0.027 6.128 169 HG13 VAL 27 3HG1 VAL 27 -8.306 -0.461 4.887 170 HG21 VAL 27 3HG2 VAL 27 -10.204 0.955 4.313 171 HG22 VAL 27 1HG2 VAL 27 -10.427 2.525 5.084 172 HG23 VAL 27 2HG2 VAL 27 -10.785 1.048 5.976 173 HA PRO 28 HA PRO 28 -10.835 1.019 10.388 174 HB2 PRO 28 2HB PRO 28 -13.336 2.227 10.003 175 HB3 PRO 28 1HB PRO 28 -12.033 2.824 11.028 176 HG2 PRO 28 2HG PRO 28 -13.022 3.980 8.627 177 HG3 PRO 28 1HG PRO 28 -11.648 4.522 9.601 178 HD2 PRO 28 2HD PRO 28 -11.682 2.998 7.083 179 HD3 PRO 28 1HD PRO 28 -10.380 3.963 7.805 180 H GLY 29 H GLY 29 -10.995 -1.096 9.727 181 HA2 GLY 29 2HA GLY 29 -12.028 -3.023 9.018 182 HA3 GLY 29 1HA GLY 29 -13.532 -2.112 9.051 183 H GLY 30 H GLY 30 -10.668 -1.514 7.084 184 HA2 GLY 30 2HA GLY 30 -12.406 -1.698 4.720 185 HA3 GLY 30 1HA GLY 30 -10.931 -0.744 4.825 186 H THR 31 H THR 31 -11.241 -2.319 2.687 187 HA THR 31 HA THR 31 -10.124 -4.938 3.138 188 HB THR 31 HB THR 31 -10.672 -3.509 0.531 189 HG1 THR 31 1HG THR 31 -12.271 -5.056 2.285 190 HG21 THR 31 3HG2 THR 31 -10.664 -5.757 -0.438 191 HG22 THR 31 1HG2 THR 31 -10.279 -6.444 1.140 192 HG23 THR 31 2HG2 THR 31 -9.114 -5.402 0.325 193 H ALA 32 H ALA 32 -8.059 -4.892 3.770 194 HA ALA 32 HA ALA 32 -6.079 -3.392 2.266 195 HB1 ALA 32 1HB ALA 32 -5.752 -3.616 4.665 196 HB2 ALA 32 2HB ALA 32 -4.460 -4.452 3.803 197 HB3 ALA 32 3HB ALA 32 -5.778 -5.374 4.527 198 H GLY 33 H GLY 33 -5.449 -4.159 0.355 199 HA2 GLY 33 2HA GLY 33 -5.774 -7.030 -0.192 200 HA3 GLY 33 1HA GLY 33 -5.713 -5.757 -1.402 201 H GLU 34 H GLU 34 -4.208 -8.087 -1.598 202 HA GLU 34 HA GLU 34 -1.547 -7.845 -0.711 203 HB2 GLU 34 2HB GLU 34 -2.669 -9.167 -3.187 204 HB3 GLU 34 1HB GLU 34 -1.018 -9.364 -2.619 205 HG2 GLU 34 2HG GLU 34 -3.465 -10.118 -1.044 206 HG3 GLU 34 1HG GLU 34 -2.515 -11.234 -2.027 207 H VAL 35 H VAL 35 -0.370 -6.093 -1.066 208 HA VAL 35 HA VAL 35 -0.730 -4.544 -3.497 209 HB VAL 35 HB VAL 35 0.680 -2.852 -2.418 210 HG11 VAL 35 1HG1 VAL 35 -1.693 -2.774 -1.996 211 HG12 VAL 35 2HG1 VAL 35 -0.821 -2.315 -0.532 212 HG13 VAL 35 3HG1 VAL 35 -1.527 -3.925 -0.671 213 HG21 VAL 35 3HG2 VAL 35 1.438 -3.138 -0.107 214 HG22 VAL 35 1HG2 VAL 35 2.171 -4.335 -1.174 215 HG23 VAL 35 2HG2 VAL 35 0.839 -4.798 -0.115 216 H GLU 36 H GLU 36 0.985 -3.988 -4.881 217 HA GLU 36 HA GLU 36 3.244 -5.857 -4.769 218 HB2 GLU 36 2HB GLU 36 3.463 -5.451 -7.214 219 HB3 GLU 36 1HB GLU 36 1.933 -6.190 -6.765 220 HG2 GLU 36 2HG GLU 36 0.839 -4.006 -6.933 221 HG3 GLU 36 1HG GLU 36 2.373 -3.282 -7.415 222 H THR 37 H THR 37 5.333 -5.082 -5.193 223 HA THR 37 HA THR 37 5.801 -2.422 -4.272 224 HB THR 37 HB THR 37 8.243 -3.131 -5.025 225 HG1 THR 37 1HG THR 37 8.495 -5.310 -5.202 226 HG21 THR 37 3HG2 THR 37 6.788 -4.379 -2.694 227 HG22 THR 37 1HG2 THR 37 7.504 -2.767 -2.719 228 HG23 THR 37 2HG2 THR 37 8.535 -4.192 -2.842 229 H GLU 38 H GLU 38 6.175 -0.638 -5.396 230 HA GLU 38 HA GLU 38 6.018 -0.787 -8.305 231 HB2 GLU 38 2HB GLU 38 5.937 1.613 -6.469 232 HB3 GLU 38 1HB GLU 38 5.649 1.632 -8.201 233 HG2 GLU 38 2HG GLU 38 3.633 0.369 -7.944 234 HG3 GLU 38 1HG GLU 38 3.954 0.127 -6.225 235 H THR 39 H THR 39 7.744 -0.444 -9.571 236 HA THR 39 HA THR 39 10.181 0.642 -8.412 237 HB THR 39 HB THR 39 10.916 0.342 -10.932 238 HG1 THR 39 1HG THR 39 8.786 -0.171 -11.681 239 HG21 THR 39 3HG2 THR 39 11.564 -1.976 -10.444 240 HG22 THR 39 1HG2 THR 39 10.427 -2.009 -9.096 241 HG23 THR 39 2HG2 THR 39 11.823 -0.932 -9.046 242 H GLY 40 H GLY 40 10.517 2.768 -8.399 243 HA2 GLY 40 2HA GLY 40 9.451 4.402 -10.573 244 HA3 GLY 40 1HA GLY 40 8.811 4.714 -8.967 245 H GLU 41 H GLU 41 11.556 4.938 -11.061 246 HA GLU 41 HA GLU 41 13.515 5.948 -9.411 247 HB2 GLU 41 2HB GLU 41 13.751 5.472 -11.845 248 HB3 GLU 41 1HB GLU 41 12.813 6.914 -12.194 249 HG2 GLU 41 2HG GLU 41 15.333 7.101 -10.597 250 HG3 GLU 41 1HG GLU 41 15.388 6.986 -12.354 251 H GLY 42 H GLY 42 13.383 7.500 -7.963 252 HA2 GLY 42 2HA GLY 42 13.102 10.080 -8.063 253 HA3 GLY 42 1HA GLY 42 11.422 9.640 -8.337 254 H ALA 43 H ALA 43 10.913 7.646 -6.623 255 HA ALA 43 HA ALA 43 11.877 7.986 -3.998 256 HB1 ALA 43 1HB ALA 43 9.325 9.491 -4.566 257 HB2 ALA 43 2HB ALA 43 10.883 10.208 -4.157 258 HB3 ALA 43 3HB ALA 43 10.028 9.219 -2.973 259 H ALA 44 H ALA 44 9.124 7.177 -6.039 260 HA ALA 44 HA ALA 44 7.609 5.755 -4.166 261 HB1 ALA 44 1HB ALA 44 6.742 6.541 -6.328 262 HB2 ALA 44 2HB ALA 44 6.415 4.829 -6.058 263 HB3 ALA 44 3HB ALA 44 7.713 5.319 -7.148 264 H ALA 45 H ALA 45 7.766 3.809 -3.304 265 HA ALA 45 HA ALA 45 9.363 1.747 -4.642 266 HB1 ALA 45 1HB ALA 45 10.845 2.805 -3.003 267 HB2 ALA 45 2HB ALA 45 10.478 1.137 -2.561 268 HB3 ALA 45 3HB ALA 45 9.676 2.467 -1.727 269 H TYR 46 H TYR 46 6.975 2.616 -2.206 270 HA TYR 46 HA TYR 46 5.825 -0.084 -2.473 271 HB2 TYR 46 2HB TYR 46 5.962 1.658 -0.003 272 HB3 TYR 46 1HB TYR 46 4.957 0.219 -0.131 273 HD1 TYR 46 2HD TYR 46 8.425 1.452 0.038 274 HD2 TYR 46 1HD TYR 46 5.898 -1.967 0.050 275 HE1 TYR 46 2HE TYR 46 10.312 0.069 0.805 276 HE2 TYR 46 1HE TYR 46 7.771 -3.358 0.816 277 HH TYR 46 HH TYR 46 10.094 -3.419 0.938 278 H GLY 47 H GLY 47 3.736 -0.155 -3.069 279 HA2 GLY 47 2HA GLY 47 2.149 2.318 -2.802 280 HA3 GLY 47 1HA GLY 47 2.037 1.271 -4.213 281 H VAL 48 H VAL 48 0.644 2.040 -1.320 282 HA VAL 48 HA VAL 48 -0.370 -0.671 -0.839 283 HB VAL 48 HB VAL 48 -0.654 1.781 0.910 284 HG11 VAL 48 1HG1 VAL 48 -1.253 -1.134 1.439 285 HG12 VAL 48 2HG1 VAL 48 -2.436 0.164 1.283 286 HG13 VAL 48 3HG1 VAL 48 -1.316 0.150 2.646 287 HG21 VAL 48 3HG2 VAL 48 1.048 0.747 2.330 288 HG22 VAL 48 1HG2 VAL 48 1.686 1.087 0.721 289 HG23 VAL 48 2HG2 VAL 48 1.235 -0.560 1.163 290 H LEU 49 H LEU 49 -2.201 -1.143 -1.882 291 HA LEU 49 HA LEU 49 -4.067 0.961 -2.567 292 HB2 LEU 49 2HB LEU 49 -5.319 -0.844 -3.730 293 HB3 LEU 49 1HB LEU 49 -3.673 -0.641 -4.290 294 HG LEU 49 HG LEU 49 -3.356 -2.618 -2.437 295 HD11 LEU 49 1HD1 LEU 49 -5.120 -4.251 -2.770 296 HD12 LEU 49 2HD1 LEU 49 -6.010 -3.112 -3.780 297 HD13 LEU 49 3HD1 LEU 49 -5.776 -2.774 -2.064 298 HD21 LEU 49 3HD2 LEU 49 -2.431 -2.579 -4.686 299 HD22 LEU 49 1HD2 LEU 49 -4.024 -2.923 -5.362 300 HD23 LEU 49 2HD2 LEU 49 -3.212 -4.126 -4.360 301 H VAL 50 H VAL 50 -5.594 1.588 -1.261 302 HA VAL 50 HA VAL 50 -6.498 -0.248 0.859 303 HB VAL 50 HB VAL 50 -6.538 2.775 0.824 304 HG11 VAL 50 1HG1 VAL 50 -8.383 1.863 2.116 305 HG12 VAL 50 2HG1 VAL 50 -7.179 2.580 3.186 306 HG13 VAL 50 3HG1 VAL 50 -7.268 0.828 3.007 307 HG21 VAL 50 3HG2 VAL 50 -4.270 1.894 1.033 308 HG22 VAL 50 1HG2 VAL 50 -4.784 0.868 2.372 309 HG23 VAL 50 2HG2 VAL 50 -4.802 2.622 2.549 310 H THR 51 H THR 51 -8.424 -1.093 0.439 311 HA THR 51 HA THR 51 -10.316 0.393 -1.220 312 HB THR 51 HB THR 51 -10.567 -2.436 -0.191 313 HG1 THR 51 1HG THR 51 -8.720 -1.720 -1.739 314 HG21 THR 51 3HG2 THR 51 -11.911 -1.001 -2.487 315 HG22 THR 51 1HG2 THR 51 -12.665 -1.403 -0.943 316 HG23 THR 51 2HG2 THR 51 -12.156 -2.689 -2.038 317 H ARG 52 H ARG 52 -11.413 1.831 -0.017 318 HA ARG 52 HA ARG 52 -12.231 1.425 2.678 319 HB2 ARG 52 2HB ARG 52 -12.535 3.467 0.629 320 HB3 ARG 52 1HB ARG 52 -14.019 3.244 1.538 321 HG2 ARG 52 2HG ARG 52 -12.780 4.982 2.564 322 HG3 ARG 52 1HG ARG 52 -12.713 3.579 3.627 323 HD2 ARG 52 2HD ARG 52 -10.476 3.057 2.793 324 HD3 ARG 52 1HD ARG 52 -10.550 4.454 1.715 325 HE ARG 52 HE ARG 52 -10.963 5.056 4.517 326 HH11 ARG 52 1HH1 ARG 52 -8.597 4.769 1.944 327 HH12 ARG 52 2HH1 ARG 52 -7.448 5.805 2.722 328 HH21 ARG 52 1HH2 ARG 52 -9.463 6.393 5.538 329 HH22 ARG 52 2HH2 ARG 52 -7.938 6.741 4.770 330 HA PRO 53 HA PRO 53 -15.577 -1.408 2.070 331 HB2 PRO 53 2HB PRO 53 -17.170 -0.623 4.183 332 HB3 PRO 53 1HB PRO 53 -15.786 -1.710 4.314 333 HG2 PRO 53 2HG PRO 53 -15.956 1.218 4.881 334 HG3 PRO 53 1HG PRO 53 -15.097 -0.053 5.773 335 HD2 PRO 53 2HD PRO 53 -13.803 1.627 4.132 336 HD3 PRO 53 1HD PRO 53 -13.325 -0.077 4.279 337 H ASP 54 H ASP 54 -15.920 1.953 1.840 338 HA ASP 54 HA ASP 54 -18.705 2.068 1.205 339 HB2 ASP 54 2HB ASP 54 -16.448 3.981 0.557 340 HB3 ASP 54 1HB ASP 54 -18.152 4.315 0.277 341 H GLY 55 H GLY 55 -15.958 0.927 -0.444 342 HA2 GLY 55 2HA GLY 55 -16.201 -0.289 -2.483 343 HA3 GLY 55 1HA GLY 55 -17.556 0.747 -2.904 344 H THR 56 H THR 56 -14.446 1.908 -1.723 345 HA THR 56 HA THR 56 -13.867 2.908 -4.420 346 HB THR 56 HB THR 56 -14.873 4.779 -3.270 347 HG1 THR 56 1HG THR 56 -13.386 6.020 -4.090 348 HG21 THR 56 3HG2 THR 56 -13.920 5.707 -1.207 349 HG22 THR 56 1HG2 THR 56 -12.800 4.349 -1.117 350 HG23 THR 56 2HG2 THR 56 -14.535 4.071 -0.962 351 H ARG 57 H ARG 57 -11.728 3.039 -4.976 352 HA ARG 57 HA ARG 57 -9.844 1.792 -3.091 353 HB2 ARG 57 2HB ARG 57 -10.130 0.396 -5.004 354 HB3 ARG 57 1HB ARG 57 -9.975 1.758 -6.102 355 HG2 ARG 57 2HG ARG 57 -7.617 2.003 -5.424 356 HG3 ARG 57 1HG ARG 57 -7.788 0.572 -4.407 357 HD2 ARG 57 2HD ARG 57 -8.118 -0.837 -6.261 358 HD3 ARG 57 1HD ARG 57 -8.417 0.523 -7.343 359 HE ARG 57 HE ARG 57 -5.843 0.867 -6.434 360 HH11 ARG 57 1HH1 ARG 57 -7.578 -1.669 -8.113 361 HH12 ARG 57 2HH1 ARG 57 -6.196 -2.166 -9.056 362 HH21 ARG 57 1HH2 ARG 57 -4.015 0.230 -7.688 363 HH22 ARG 57 2HH2 ARG 57 -4.182 -1.102 -8.793 364 H VAL 58 H VAL 58 -8.319 3.040 -2.297 365 HA VAL 58 HA VAL 58 -7.249 5.202 -3.980 366 HB VAL 58 HB VAL 58 -8.637 6.171 -2.191 367 HG11 VAL 58 1HG1 VAL 58 -8.018 5.965 0.153 368 HG12 VAL 58 2HG1 VAL 58 -6.730 4.840 -0.276 369 HG13 VAL 58 3HG1 VAL 58 -8.416 4.389 -0.533 370 HG21 VAL 58 3HG2 VAL 58 -6.977 7.710 -1.262 371 HG22 VAL 58 1HG2 VAL 58 -6.718 7.426 -2.983 372 HG23 VAL 58 2HG2 VAL 58 -5.688 6.628 -1.793 373 H GLU 59 H GLU 59 -4.992 5.383 -3.990 374 HA GLU 59 HA GLU 59 -3.651 3.176 -2.587 375 HB2 GLU 59 2HB GLU 59 -1.922 3.280 -4.329 376 HB3 GLU 59 1HB GLU 59 -3.512 2.945 -4.995 377 HG2 GLU 59 2HG GLU 59 -3.712 5.274 -5.701 378 HG3 GLU 59 1HG GLU 59 -2.117 5.613 -5.029 379 H VAL 60 H VAL 60 -1.998 3.538 -1.280 380 HA VAL 60 HA VAL 60 -1.225 6.338 -0.813 381 HB VAL 60 HB VAL 60 -0.804 3.982 1.038 382 HG11 VAL 60 1HG1 VAL 60 -0.666 6.951 1.528 383 HG12 VAL 60 2HG1 VAL 60 0.711 5.855 1.404 384 HG13 VAL 60 3HG1 VAL 60 -0.431 5.690 2.738 385 HG21 VAL 60 3HG2 VAL 60 -3.192 4.311 0.716 386 HG22 VAL 60 1HG2 VAL 60 -3.020 6.028 1.079 387 HG23 VAL 60 2HG2 VAL 60 -2.710 4.828 2.333 388 H HIS 61 H HIS 61 0.686 6.918 -1.565 389 HA HIS 61 HA HIS 61 2.565 4.865 -2.421 390 HB2 HIS 61 2HB HIS 61 2.247 7.783 -2.958 391 HB3 HIS 61 1HB HIS 61 3.802 7.014 -3.258 392 HD1 HIS 61 1HD HIS 61 0.626 7.678 -4.862 393 HD2 HIS 61 2HD HIS 61 3.495 4.677 -5.038 394 HE1 HIS 61 1HE HIS 61 0.247 6.497 -7.051 395 HE2 HIS 61 2HE HIS 61 1.802 4.510 -6.972 396 H LEU 62 H LEU 62 4.276 4.289 -1.354 397 HA LEU 62 HA LEU 62 5.288 6.005 0.831 398 HB2 LEU 62 2HB LEU 62 4.859 3.058 0.587 399 HB3 LEU 62 1HB LEU 62 6.206 3.619 1.551 400 HG LEU 62 HG LEU 62 4.858 4.395 3.240 401 HD11 LEU 62 1HD1 LEU 62 2.537 5.101 2.997 402 HD12 LEU 62 2HD1 LEU 62 2.588 4.699 1.280 403 HD13 LEU 62 3HD1 LEU 62 3.590 6.007 1.911 404 HD21 LEU 62 3HD2 LEU 62 3.018 2.831 3.591 405 HD22 LEU 62 1HD2 LEU 62 4.475 2.018 3.018 406 HD23 LEU 62 2HD2 LEU 62 3.140 2.325 1.906 407 H ASP 63 H ASP 63 7.549 6.207 1.030 408 HA ASP 63 HA ASP 63 9.018 5.531 -1.398 409 HB2 ASP 63 2HB ASP 63 10.650 7.113 -0.763 410 HB3 ASP 63 1HB ASP 63 9.117 7.840 -0.317 411 H ARG 64 H ARG 64 11.591 5.364 -0.396 412 HA ARG 64 HA ARG 64 11.863 2.631 -0.008 413 HB2 ARG 64 2HB ARG 64 13.845 4.727 0.874 414 HB3 ARG 64 1HB ARG 64 14.187 3.056 0.455 415 HG2 ARG 64 2HG ARG 64 13.597 3.486 -1.857 416 HG3 ARG 64 1HG ARG 64 13.175 5.152 -1.452 417 HD2 ARG 64 2HD ARG 64 15.891 3.859 -1.314 418 HD3 ARG 64 1HD ARG 64 15.375 5.163 -2.382 419 HE ARG 64 HE ARG 64 14.972 6.231 0.057 420 HH11 ARG 64 1HH1 ARG 64 17.730 4.575 -1.332 421 HH12 ARG 64 2HH1 ARG 64 18.892 5.466 -0.398 422 HH21 ARG 64 1HH2 ARG 64 16.488 7.360 1.314 423 HH22 ARG 64 2HH2 ARG 64 18.183 7.023 1.139 424 H ASP 65 H ASP 65 11.675 5.228 2.386 425 HA ASP 65 HA ASP 65 12.341 3.382 4.542 426 HB2 ASP 65 2HB ASP 65 11.841 6.347 4.450 427 HB3 ASP 65 1HB ASP 65 11.989 5.475 5.971 428 H PHE 66 H PHE 66 9.716 3.469 2.913 429 HA PHE 66 HA PHE 66 7.561 2.861 3.293 430 HB2 PHE 66 2HB PHE 66 8.995 1.806 5.463 431 HB3 PHE 66 1HB PHE 66 7.574 2.566 6.172 432 HD1 PHE 66 2HD PHE 66 5.304 1.901 5.308 433 HD2 PHE 66 1HD PHE 66 8.846 -0.257 4.380 434 HE1 PHE 66 2HE PHE 66 3.946 -0.052 4.676 435 HE2 PHE 66 1HE PHE 66 7.504 -2.212 3.752 436 HZ PHE 66 HZ PHE 66 5.044 -2.110 3.896 437 H ARG 67 H ARG 67 8.578 5.663 3.705 438 HA ARG 67 HA ARG 67 6.680 6.765 5.607 439 HB2 ARG 67 2HB ARG 67 8.897 7.736 5.554 440 HB3 ARG 67 1HB ARG 67 8.763 8.045 3.830 441 HG2 ARG 67 2HG ARG 67 8.455 10.103 4.972 442 HG3 ARG 67 1HG ARG 67 6.890 9.605 4.330 443 HD2 ARG 67 2HD ARG 67 6.256 8.744 6.524 444 HD3 ARG 67 1HD ARG 67 7.827 9.219 7.171 445 HE ARG 67 HE ARG 67 5.879 11.168 6.097 446 HH11 ARG 67 1HH1 ARG 67 8.245 10.188 8.498 447 HH12 ARG 67 2HH1 ARG 67 8.070 11.646 9.433 448 HH21 ARG 67 1HH2 ARG 67 5.658 13.068 7.330 449 HH22 ARG 67 2HH2 ARG 67 6.611 13.271 8.771 450 H VAL 68 H VAL 68 4.800 7.701 5.088 451 HA VAL 68 HA VAL 68 3.630 7.364 2.572 452 HB VAL 68 HB VAL 68 2.229 7.561 4.506 453 HG11 VAL 68 1HG1 VAL 68 3.560 9.008 5.900 454 HG12 VAL 68 2HG1 VAL 68 1.944 9.689 5.717 455 HG13 VAL 68 3HG1 VAL 68 3.293 10.364 4.805 456 HG21 VAL 68 3HG2 VAL 68 1.232 8.284 2.416 457 HG22 VAL 68 1HG2 VAL 68 1.822 9.926 2.677 458 HG23 VAL 68 2HG2 VAL 68 0.603 9.244 3.755 459 H LEU 69 H LEU 69 4.127 8.326 0.755 460 HA LEU 69 HA LEU 69 5.370 10.941 0.701 461 HB2 LEU 69 2HB LEU 69 4.484 9.142 -1.563 462 HB3 LEU 69 1HB LEU 69 5.450 10.594 -1.733 463 HG LEU 69 HG LEU 69 6.292 8.062 -0.325 464 HD11 LEU 69 1HD1 LEU 69 7.862 7.834 -2.172 465 HD12 LEU 69 2HD1 LEU 69 7.203 9.288 -2.923 466 HD13 LEU 69 3HD1 LEU 69 6.197 7.850 -2.755 467 HD21 LEU 69 3HD2 LEU 69 8.475 9.131 -0.132 468 HD22 LEU 69 1HD2 LEU 69 7.241 10.059 0.720 469 HD23 LEU 69 2HD2 LEU 69 7.827 10.605 -0.852 470 H ASP 70 H ASP 70 2.396 9.423 -0.470 471 HA ASP 70 HA ASP 70 0.784 11.673 0.098 472 HB2 ASP 70 2HB ASP 70 2.115 12.252 -2.120 473 HB3 ASP 70 1HB ASP 70 0.905 11.207 -2.860 474 H THR 71 H THR 71 -1.416 11.289 -1.311 475 HA THR 71 HA THR 71 -1.950 8.428 -1.514 476 HB THR 71 HB THR 71 -3.594 10.197 0.314 477 HG1 THR 71 1HG THR 71 -1.361 8.575 0.778 478 HG21 THR 71 3HG2 THR 71 -4.850 8.361 -0.675 479 HG22 THR 71 1HG2 THR 71 -4.580 8.066 1.042 480 HG23 THR 71 2HG2 THR 71 -3.611 7.216 -0.162 481 H GLU 72 H GLU 72 -2.766 8.359 -3.524 482 HA GLU 72 HA GLU 72 -4.818 10.347 -4.230 483 HB2 GLU 72 2HB GLU 72 -4.088 10.004 -6.619 484 HB3 GLU 72 1HB GLU 72 -2.948 10.855 -5.592 485 HG2 GLU 72 2HG GLU 72 -2.667 7.910 -5.962 486 HG3 GLU 72 1HG GLU 72 -2.143 9.003 -7.240 487 HA PRO 73 HA PRO 73 -7.651 7.039 -4.866 488 HB2 PRO 73 2HB PRO 73 -8.733 8.558 -7.153 489 HB3 PRO 73 1HB PRO 73 -9.528 8.071 -5.654 490 HG2 PRO 73 2HG PRO 73 -8.862 10.626 -6.113 491 HG3 PRO 73 1HG PRO 73 -8.763 9.916 -4.490 492 HD2 PRO 73 2HD PRO 73 -6.576 10.459 -6.461 493 HD3 PRO 73 1HD PRO 73 -6.588 10.687 -4.699 494 H ALA 74 H ALA 74 -7.542 5.171 -5.941 495 HA ALA 74 HA ALA 74 -6.112 5.154 -8.513 496 HB1 ALA 74 1HB ALA 74 -4.981 3.935 -6.722 497 HB2 ALA 74 2HB ALA 74 -5.511 2.845 -8.003 498 HB3 ALA 74 3HB ALA 74 -6.415 2.935 -6.491 499 H ASP 75 H ASP 75 -7.687 5.295 -10.012 500 HA ASP 75 HA ASP 75 -10.106 3.716 -9.734 501 HB2 ASP 75 2HB ASP 75 -10.271 6.022 -10.586 502 HB3 ASP 75 1HB ASP 75 -9.241 5.592 -11.949 503 H GLY 76 H GLY 76 -10.607 1.937 -10.891 504 HA2 GLY 76 2HA GLY 76 -8.454 0.412 -11.949 505 HA3 GLY 76 1HA GLY 76 -10.150 -0.044 -11.952 506 H ASP 77 H ASP 77 -10.847 2.485 -13.424 507 HA ASP 77 HA ASP 77 -10.376 1.408 -16.070 508 HB2 ASP 77 2HB ASP 77 -12.587 2.324 -15.436 509 HB3 ASP 77 1HB ASP 77 -11.856 3.912 -15.224 510 H GLY 78 H GLY 78 -9.971 4.650 -14.632 511 HA2 GLY 78 2HA GLY 78 -8.168 6.073 -14.647 512 HA3 GLY 78 1HA GLY 78 -7.205 4.767 -15.306 513 H GLY 79 H GLY 79 -8.941 4.490 -17.687 514 HA2 GLY 79 2HA GLY 79 -7.312 6.020 -19.379 515 HA3 GLY 79 1HA GLY 79 -8.736 5.125 -19.871 516 H LEU 80 H LEU 80 -7.457 7.936 -20.270 517 HA LEU 80 HA LEU 80 -10.024 9.375 -20.157 518 HB2 LEU 80 2HB LEU 80 -7.225 10.449 -19.793 519 HB3 LEU 80 1HB LEU 80 -8.622 11.472 -20.060 520 HG LEU 80 HG LEU 80 -8.255 9.621 -17.701 521 HD11 LEU 80 1HD1 LEU 80 -7.940 11.670 -16.410 522 HD12 LEU 80 2HD1 LEU 80 -8.023 12.621 -17.894 523 HD13 LEU 80 3HD1 LEU 80 -6.693 11.489 -17.644 524 HD21 LEU 80 3HD2 LEU 80 -10.369 11.695 -18.282 525 HD22 LEU 80 1HD2 LEU 80 -10.208 10.769 -16.790 526 HD23 LEU 80 2HD2 LEU 80 -10.600 9.947 -18.300 527 H GLU 81 H GLU 81 -10.787 9.951 -22.084 528 HA GLU 81 HA GLU 81 -8.876 10.344 -24.282 529 HB2 GLU 81 2HB GLU 81 -11.517 8.875 -24.418 530 HB3 GLU 81 1HB GLU 81 -10.564 9.331 -25.824 531 HG2 GLU 81 2HG GLU 81 -8.722 7.943 -25.032 532 HG3 GLU 81 1HG GLU 81 -9.666 7.494 -23.614 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 14.724 0.633 14.041 2 H2 GLY 1 2HT GLY 1 14.947 2.315 14.131 3 H3 GLY 1 3HT GLY 1 13.867 1.661 12.998 4 HA2 GLY 1 1HA GLY 1 13.556 1.541 15.945 5 HA3 GLY 1 2HA GLY 1 12.681 2.623 14.869 6 H ALA 2 H ALA 2 10.625 1.925 14.814 7 HA ALA 2 HA ALA 2 10.111 -0.953 14.720 8 HB1 ALA 2 1HB ALA 2 8.168 1.330 15.083 9 HB2 ALA 2 2HB ALA 2 8.876 0.370 16.381 10 HB3 ALA 2 3HB ALA 2 7.795 -0.389 15.213 11 H MET 3 H MET 3 10.718 -1.363 12.587 12 HA MET 3 HA MET 3 9.355 0.082 10.460 13 HB2 MET 3 2HB MET 3 10.811 -1.123 8.934 14 HB3 MET 3 1HB MET 3 11.764 -0.406 10.223 15 HG2 MET 3 2HG MET 3 10.908 -3.291 10.153 16 HG3 MET 3 1HG MET 3 12.461 -2.700 9.570 17 HE1 MET 3 3HE MET 3 13.686 -4.449 11.120 18 HE2 MET 3 1HE MET 3 12.148 -5.036 11.753 19 HE3 MET 3 2HE MET 3 13.440 -4.571 12.861 20 H ALA 4 H ALA 4 7.813 -0.772 9.153 21 HA ALA 4 HA ALA 4 6.510 -3.180 10.131 22 HB1 ALA 4 1HB ALA 4 5.635 -1.206 8.023 23 HB2 ALA 4 2HB ALA 4 5.132 -1.215 9.714 24 HB3 ALA 4 3HB ALA 4 4.665 -2.540 8.647 25 H PHE 5 H PHE 5 8.258 -4.581 9.386 26 HA PHE 5 HA PHE 5 7.787 -5.367 6.591 27 HB2 PHE 5 2HB PHE 5 10.451 -5.185 8.008 28 HB3 PHE 5 1HB PHE 5 10.216 -6.097 6.522 29 HD1 PHE 5 2HD PHE 5 9.768 -4.958 4.424 30 HD2 PHE 5 1HD PHE 5 10.506 -2.791 8.007 31 HE1 PHE 5 2HE PHE 5 10.174 -2.928 3.102 32 HE2 PHE 5 1HE PHE 5 10.915 -0.752 6.692 33 HZ PHE 5 HZ PHE 5 10.751 -0.820 4.236 34 H ASP 6 H ASP 6 6.274 -6.540 8.323 35 HA ASP 6 HA ASP 6 6.762 -9.252 8.113 36 HB2 ASP 6 2HB ASP 6 8.565 -8.936 9.754 37 HB3 ASP 6 1HB ASP 6 7.428 -8.192 10.872 38 H GLY 7 H GLY 7 4.589 -9.215 7.556 39 HA2 GLY 7 2HA GLY 7 2.673 -8.501 9.660 40 HA3 GLY 7 1HA GLY 7 2.284 -8.905 7.989 41 H GLU 8 H GLU 8 2.408 -11.105 7.321 42 HA GLU 8 HA GLU 8 2.813 -13.124 9.373 43 HB2 GLU 8 2HB GLU 8 0.195 -12.770 7.922 44 HB3 GLU 8 1HB GLU 8 0.692 -14.332 8.560 45 HG2 GLU 8 2HG GLU 8 0.918 -13.261 10.801 46 HG3 GLU 8 1HG GLU 8 0.215 -11.801 10.113 47 H ASP 9 H ASP 9 3.679 -14.962 8.589 48 HA ASP 9 HA ASP 9 4.931 -14.671 6.028 49 HB2 ASP 9 2HB ASP 9 5.971 -15.562 8.182 50 HB3 ASP 9 1HB ASP 9 5.108 -17.061 7.859 51 H GLU 10 H GLU 10 1.935 -15.637 6.619 52 HA GLU 10 HA GLU 10 1.824 -18.208 5.375 53 HB2 GLU 10 2HB GLU 10 -0.569 -18.005 5.571 54 HB3 GLU 10 1HB GLU 10 0.175 -17.419 7.052 55 HG2 GLU 10 2HG GLU 10 -0.114 -15.113 6.277 56 HG3 GLU 10 1HG GLU 10 -0.887 -15.714 4.811 57 H VAL 11 H VAL 11 2.018 -15.035 4.156 58 HA VAL 11 HA VAL 11 0.594 -15.672 1.692 59 HB VAL 11 HB VAL 11 0.979 -13.322 1.071 60 HG11 VAL 11 1HG1 VAL 11 -0.166 -13.700 3.836 61 HG12 VAL 11 2HG1 VAL 11 -1.027 -13.890 2.308 62 HG13 VAL 11 3HG1 VAL 11 -0.442 -12.301 2.800 63 HG21 VAL 11 3HG2 VAL 11 2.348 -13.119 3.754 64 HG22 VAL 11 1HG2 VAL 11 1.944 -11.761 2.702 65 HG23 VAL 11 2HG2 VAL 11 3.118 -12.966 2.175 66 H THR 12 H THR 12 1.618 -15.131 -0.400 67 HA THR 12 HA THR 12 4.401 -16.045 -0.419 68 HB THR 12 HB THR 12 3.918 -16.343 -2.923 69 HG1 THR 12 1HG THR 12 2.003 -15.104 -3.038 70 HG21 THR 12 3HG2 THR 12 4.062 -18.230 -1.392 71 HG22 THR 12 1HG2 THR 12 2.747 -18.482 -2.539 72 HG23 THR 12 2HG2 THR 12 2.392 -17.974 -0.887 73 H GLY 13 H GLY 13 2.829 -13.186 -0.434 74 HA2 GLY 13 2HA GLY 13 4.731 -11.937 -2.308 75 HA3 GLY 13 1HA GLY 13 3.182 -11.242 -1.842 76 HA PRO 14 HA PRO 14 6.666 -10.758 1.612 77 HB2 PRO 14 2HB PRO 14 8.808 -9.515 0.408 78 HB3 PRO 14 1HB PRO 14 8.727 -11.244 0.761 79 HG2 PRO 14 2HG PRO 14 8.218 -9.805 -1.805 80 HG3 PRO 14 1HG PRO 14 9.047 -11.348 -1.530 81 HD2 PRO 14 2HD PRO 14 6.517 -11.228 -2.444 82 HD3 PRO 14 1HD PRO 14 7.067 -12.526 -1.364 83 H ASP 15 H ASP 15 6.688 -8.561 -1.186 84 HA ASP 15 HA ASP 15 6.703 -6.199 0.410 85 HB2 ASP 15 2HB ASP 15 6.364 -5.017 -1.720 86 HB3 ASP 15 1HB ASP 15 7.644 -6.217 -1.852 87 H ALA 16 H ALA 16 4.244 -8.114 -1.185 88 HA ALA 16 HA ALA 16 2.059 -6.385 -0.860 89 HB1 ALA 16 1HB ALA 16 0.665 -8.364 -1.163 90 HB2 ALA 16 2HB ALA 16 2.064 -9.403 -0.894 91 HB3 ALA 16 3HB ALA 16 2.004 -8.356 -2.312 92 H ASP 17 H ASP 17 3.388 -8.891 1.256 93 HA ASP 17 HA ASP 17 1.438 -8.906 3.237 94 HB2 ASP 17 2HB ASP 17 3.077 -10.603 3.320 95 HB3 ASP 17 1HB ASP 17 4.400 -9.442 3.320 96 H ARG 18 H ARG 18 4.408 -6.965 3.090 97 HA ARG 18 HA ARG 18 4.229 -5.877 5.646 98 HB2 ARG 18 2HB ARG 18 5.371 -4.274 3.390 99 HB3 ARG 18 1HB ARG 18 5.935 -4.411 5.044 100 HG2 ARG 18 2HG ARG 18 6.197 -6.468 2.870 101 HG3 ARG 18 1HG ARG 18 7.484 -5.486 3.568 102 HD2 ARG 18 2HD ARG 18 7.002 -6.586 5.766 103 HD3 ARG 18 1HD ARG 18 5.901 -7.670 4.910 104 HE ARG 18 HE ARG 18 8.736 -7.459 4.127 105 HH11 ARG 18 1HH1 ARG 18 6.002 -9.396 5.213 106 HH12 ARG 18 2HH1 ARG 18 6.825 -10.906 4.919 107 HH21 ARG 18 1HH2 ARG 18 9.783 -9.429 3.765 108 HH22 ARG 18 2HH2 ARG 18 8.985 -10.928 4.139 109 H ALA 19 H ALA 19 3.130 -4.508 2.558 110 HA ALA 19 HA ALA 19 2.174 -2.116 3.829 111 HB1 ALA 19 1HB ALA 19 3.128 -2.044 1.592 112 HB2 ALA 19 2HB ALA 19 1.466 -1.453 1.591 113 HB3 ALA 19 3HB ALA 19 1.828 -3.074 0.996 114 H ARG 20 H ARG 20 0.733 -5.126 2.695 115 HA ARG 20 HA ARG 20 -1.953 -4.173 2.739 116 HB2 ARG 20 2HB ARG 20 -1.164 -6.205 1.490 117 HB3 ARG 20 1HB ARG 20 -1.028 -7.037 3.032 118 HG2 ARG 20 2HG ARG 20 -3.423 -6.764 3.402 119 HG3 ARG 20 1HG ARG 20 -3.561 -5.896 1.871 120 HD2 ARG 20 2HD ARG 20 -2.635 -7.940 0.747 121 HD3 ARG 20 1HD ARG 20 -2.786 -8.773 2.293 122 HE ARG 20 HE ARG 20 -5.245 -7.560 1.545 123 HH11 ARG 20 1HH1 ARG 20 -3.185 -10.297 0.831 124 HH12 ARG 20 2HH1 ARG 20 -4.488 -11.303 0.280 125 HH21 ARG 20 1HH2 ARG 20 -6.967 -8.884 0.836 126 HH22 ARG 20 2HH2 ARG 20 -6.639 -10.502 0.302 127 H ALA 21 H ALA 21 0.167 -5.704 5.093 128 HA ALA 21 HA ALA 21 -1.761 -6.074 7.122 129 HB1 ALA 21 1HB ALA 21 0.440 -7.156 7.163 130 HB2 ALA 21 2HB ALA 21 0.125 -6.257 8.647 131 HB3 ALA 21 3HB ALA 21 1.201 -5.585 7.422 132 H ALA 22 H ALA 22 0.278 -3.351 6.225 133 HA ALA 22 HA ALA 22 -0.470 -1.707 8.439 134 HB1 ALA 22 1HB ALA 22 1.626 -1.369 7.224 135 HB2 ALA 22 2HB ALA 22 0.637 0.092 7.210 136 HB3 ALA 22 3HB ALA 22 0.719 -0.933 5.777 137 H ALA 23 H ALA 23 -1.698 -2.261 5.217 138 HA ALA 23 HA ALA 23 -3.333 -0.063 4.836 139 HB1 ALA 23 1HB ALA 23 -2.827 -1.761 3.128 140 HB2 ALA 23 2HB ALA 23 -4.555 -1.430 3.257 141 HB3 ALA 23 3HB ALA 23 -3.882 -2.895 3.971 142 H VAL 24 H VAL 24 -3.852 -2.903 6.807 143 HA VAL 24 HA VAL 24 -6.601 -2.751 7.204 144 HB VAL 24 HB VAL 24 -4.529 -3.612 9.233 145 HG11 VAL 24 1HG1 VAL 24 -7.456 -4.298 8.992 146 HG12 VAL 24 2HG1 VAL 24 -6.714 -3.301 10.242 147 HG13 VAL 24 3HG1 VAL 24 -6.328 -5.019 10.141 148 HG21 VAL 24 3HG2 VAL 24 -4.895 -5.872 8.349 149 HG22 VAL 24 1HG2 VAL 24 -4.234 -4.785 7.128 150 HG23 VAL 24 2HG2 VAL 24 -5.948 -5.205 7.101 151 H GLN 25 H GLN 25 -4.016 -0.872 8.614 152 HA GLN 25 HA GLN 25 -5.862 0.434 10.467 153 HB2 GLN 25 2HB GLN 25 -2.868 0.617 10.116 154 HB3 GLN 25 1HB GLN 25 -3.766 1.657 11.208 155 HG2 GLN 25 2HG GLN 25 -2.895 -0.052 12.540 156 HG3 GLN 25 1HG GLN 25 -4.598 -0.448 12.327 157 HE21 GLN 25 1HE2 GLN 25 -2.133 -0.941 9.884 158 HE22 GLN 25 2HE2 GLN 25 -2.181 -2.672 9.913 159 H ALA 26 H ALA 26 -4.686 0.824 7.344 160 HA ALA 26 HA ALA 26 -4.633 3.722 7.371 161 HB1 ALA 26 1HB ALA 26 -4.310 1.798 5.072 162 HB2 ALA 26 2HB ALA 26 -3.003 2.501 6.024 163 HB3 ALA 26 3HB ALA 26 -4.016 3.537 5.019 164 H VAL 27 H VAL 27 -6.797 1.148 6.430 165 HA VAL 27 HA VAL 27 -8.693 3.172 5.459 166 HB VAL 27 HB VAL 27 -8.146 1.491 3.764 167 HG11 VAL 27 1HG1 VAL 27 -7.590 -0.375 5.235 168 HG12 VAL 27 2HG1 VAL 27 -8.780 -0.840 4.019 169 HG13 VAL 27 3HG1 VAL 27 -9.292 -0.532 5.678 170 HG21 VAL 27 3HG2 VAL 27 -10.425 0.814 3.188 171 HG22 VAL 27 1HG2 VAL 27 -10.362 2.486 3.747 172 HG23 VAL 27 2HG2 VAL 27 -10.954 1.220 4.821 173 HA PRO 28 HA PRO 28 -10.913 2.345 9.209 174 HB2 PRO 28 2HB PRO 28 -13.124 3.883 8.127 175 HB3 PRO 28 1HB PRO 28 -12.009 4.309 9.426 176 HG2 PRO 28 2HG PRO 28 -12.046 5.534 6.979 177 HG3 PRO 28 1HG PRO 28 -10.617 5.450 8.024 178 HD2 PRO 28 2HD PRO 28 -11.303 3.845 5.605 179 HD3 PRO 28 1HD PRO 28 -9.724 4.438 6.158 180 H GLY 29 H GLY 29 -11.321 0.129 8.870 181 HA2 GLY 29 2HA GLY 29 -12.767 -1.655 8.799 182 HA3 GLY 29 1HA GLY 29 -14.076 -0.492 8.658 183 H GLY 30 H GLY 30 -11.548 -0.405 6.315 184 HA2 GLY 30 2HA GLY 30 -13.496 -1.232 4.291 185 HA3 GLY 30 1HA GLY 30 -12.023 -0.321 3.996 186 H THR 31 H THR 31 -11.775 -1.902 2.249 187 HA THR 31 HA THR 31 -10.840 -4.517 3.196 188 HB THR 31 HB THR 31 -12.548 -4.749 1.527 189 HG1 THR 31 1HG THR 31 -10.445 -6.009 1.387 190 HG21 THR 31 3HG2 THR 31 -12.338 -3.830 -0.729 191 HG22 THR 31 1HG2 THR 31 -10.853 -3.003 -0.260 192 HG23 THR 31 2HG2 THR 31 -12.388 -2.548 0.480 193 H ALA 32 H ALA 32 -8.797 -5.180 2.889 194 HA ALA 32 HA ALA 32 -6.908 -3.168 1.870 195 HB1 ALA 32 1HB ALA 32 -6.442 -5.440 3.805 196 HB2 ALA 32 2HB ALA 32 -6.599 -3.734 4.225 197 HB3 ALA 32 3HB ALA 32 -5.225 -4.285 3.265 198 H GLY 33 H GLY 33 -6.296 -3.578 -0.140 199 HA2 GLY 33 2HA GLY 33 -6.363 -6.303 -1.165 200 HA3 GLY 33 1HA GLY 33 -6.093 -4.841 -2.100 201 H GLU 34 H GLU 34 -4.578 -7.182 -2.399 202 HA GLU 34 HA GLU 34 -2.089 -6.876 -1.016 203 HB2 GLU 34 2HB GLU 34 -1.292 -8.554 -2.749 204 HB3 GLU 34 1HB GLU 34 -2.591 -9.077 -1.687 205 HG2 GLU 34 2HG GLU 34 -4.196 -8.469 -3.511 206 HG3 GLU 34 1HG GLU 34 -2.799 -8.222 -4.560 207 H VAL 35 H VAL 35 -0.149 -6.076 -1.826 208 HA VAL 35 HA VAL 35 -0.563 -4.032 -3.904 209 HB VAL 35 HB VAL 35 0.856 -2.534 -2.677 210 HG11 VAL 35 1HG1 VAL 35 -1.169 -3.826 -0.855 211 HG12 VAL 35 2HG1 VAL 35 -1.464 -2.519 -2.002 212 HG13 VAL 35 3HG1 VAL 35 -0.437 -2.243 -0.595 213 HG21 VAL 35 3HG2 VAL 35 2.465 -4.121 -1.799 214 HG22 VAL 35 1HG2 VAL 35 1.247 -4.786 -0.712 215 HG23 VAL 35 2HG2 VAL 35 1.813 -3.131 -0.494 216 H GLU 36 H GLU 36 1.239 -3.406 -5.173 217 HA GLU 36 HA GLU 36 3.510 -5.278 -5.123 218 HB2 GLU 36 2HB GLU 36 3.846 -4.877 -7.472 219 HB3 GLU 36 1HB GLU 36 2.163 -5.320 -7.231 220 HG2 GLU 36 2HG GLU 36 1.440 -3.082 -7.529 221 HG3 GLU 36 1HG GLU 36 3.092 -2.470 -7.457 222 H THR 37 H THR 37 5.618 -4.349 -5.508 223 HA THR 37 HA THR 37 6.005 -1.777 -4.335 224 HB THR 37 HB THR 37 8.407 -2.134 -5.166 225 HG1 THR 37 1HG THR 37 7.592 -3.762 -6.769 226 HG21 THR 37 3HG2 THR 37 8.874 -3.801 -3.431 227 HG22 THR 37 1HG2 THR 37 7.154 -4.192 -3.349 228 HG23 THR 37 2HG2 THR 37 7.720 -2.590 -2.874 229 H GLU 38 H GLU 38 5.915 0.142 -5.302 230 HA GLU 38 HA GLU 38 5.467 0.394 -8.106 231 HB2 GLU 38 2HB GLU 38 6.084 2.517 -6.038 232 HB3 GLU 38 1HB GLU 38 5.529 2.830 -7.677 233 HG2 GLU 38 2HG GLU 38 3.463 1.542 -7.143 234 HG3 GLU 38 1HG GLU 38 4.016 1.459 -5.470 235 H THR 39 H THR 39 6.882 0.862 -9.709 236 HA THR 39 HA THR 39 9.679 1.328 -8.919 237 HB THR 39 HB THR 39 8.844 -0.134 -11.426 238 HG1 THR 39 1HG THR 39 8.589 -1.031 -8.971 239 HG21 THR 39 3HG2 THR 39 11.459 0.023 -9.917 240 HG22 THR 39 1HG2 THR 39 11.091 0.847 -11.432 241 HG23 THR 39 2HG2 THR 39 11.171 -0.914 -11.383 242 H GLY 40 H GLY 40 10.353 3.261 -9.513 243 HA2 GLY 40 2HA GLY 40 10.182 4.290 -12.112 244 HA3 GLY 40 1HA GLY 40 8.913 5.031 -11.143 245 H GLU 41 H GLU 41 9.818 7.079 -11.186 246 HA GLU 41 HA GLU 41 12.414 7.328 -9.811 247 HB2 GLU 41 2HB GLU 41 11.071 9.270 -11.698 248 HB3 GLU 41 1HB GLU 41 12.616 9.528 -10.894 249 HG2 GLU 41 2HG GLU 41 13.534 7.575 -12.069 250 HG3 GLU 41 1HG GLU 41 11.993 7.369 -12.898 251 H GLY 42 H GLY 42 12.262 7.924 -7.783 252 HA2 GLY 42 2HA GLY 42 11.369 10.132 -6.625 253 HA3 GLY 42 1HA GLY 42 9.858 9.246 -6.804 254 H ALA 43 H ALA 43 10.062 9.563 -4.354 255 HA ALA 43 HA ALA 43 11.821 7.586 -3.110 256 HB1 ALA 43 1HB ALA 43 11.095 8.554 -0.991 257 HB2 ALA 43 2HB ALA 43 9.932 9.570 -1.843 258 HB3 ALA 43 3HB ALA 43 11.662 9.810 -2.093 259 H ALA 44 H ALA 44 8.831 7.603 -4.498 260 HA ALA 44 HA ALA 44 7.381 6.044 -2.567 261 HB1 ALA 44 1HB ALA 44 5.652 5.897 -4.282 262 HB2 ALA 44 2HB ALA 44 6.755 6.599 -5.465 263 HB3 ALA 44 3HB ALA 44 6.210 7.560 -4.090 264 H ALA 45 H ALA 45 7.910 4.015 -2.170 265 HA ALA 45 HA ALA 45 8.779 2.323 -4.424 266 HB1 ALA 45 1HB ALA 45 9.479 2.051 -1.502 267 HB2 ALA 45 2HB ALA 45 10.541 2.667 -2.768 268 HB3 ALA 45 3HB ALA 45 10.020 0.983 -2.797 269 H TYR 46 H TYR 46 6.385 2.822 -2.057 270 HA TYR 46 HA TYR 46 5.255 0.168 -2.628 271 HB2 TYR 46 2HB TYR 46 5.226 1.559 0.064 272 HB3 TYR 46 1HB TYR 46 4.395 0.057 -0.315 273 HD1 TYR 46 1HD TYR 46 5.677 -2.016 -0.670 274 HD2 TYR 46 2HD TYR 46 7.588 1.606 0.487 275 HE1 TYR 46 1HE TYR 46 7.673 -3.289 -0.001 276 HE2 TYR 46 2HE TYR 46 9.588 0.346 1.154 277 HH TYR 46 HH TYR 46 10.223 -1.894 1.809 278 H GLY 47 H GLY 47 3.198 0.215 -3.302 279 HA2 GLY 47 2HA GLY 47 1.665 2.691 -2.821 280 HA3 GLY 47 1HA GLY 47 1.499 1.709 -4.273 281 H VAL 48 H VAL 48 0.181 2.381 -1.304 282 HA VAL 48 HA VAL 48 -0.898 -0.313 -0.907 283 HB VAL 48 HB VAL 48 -1.154 2.098 0.893 284 HG11 VAL 48 1HG1 VAL 48 -2.891 0.459 1.269 285 HG12 VAL 48 2HG1 VAL 48 -1.741 0.433 2.606 286 HG13 VAL 48 3HG1 VAL 48 -1.689 -0.827 1.374 287 HG21 VAL 48 3HG2 VAL 48 0.592 1.064 2.262 288 HG22 VAL 48 1HG2 VAL 48 1.186 1.472 0.653 289 HG23 VAL 48 2HG2 VAL 48 0.790 -0.201 1.048 290 H LEU 49 H LEU 49 -2.827 -0.772 -1.724 291 HA LEU 49 HA LEU 49 -4.673 1.395 -2.363 292 HB2 LEU 49 2HB LEU 49 -6.001 -0.432 -3.476 293 HB3 LEU 49 1HB LEU 49 -4.425 -0.109 -4.172 294 HG LEU 49 HG LEU 49 -4.577 -2.286 -2.156 295 HD11 LEU 49 1HD1 LEU 49 -5.366 -3.893 -3.789 296 HD12 LEU 49 2HD1 LEU 49 -5.588 -2.612 -4.979 297 HD13 LEU 49 3HD1 LEU 49 -6.590 -2.652 -3.527 298 HD21 LEU 49 3HD2 LEU 49 -2.947 -3.301 -3.651 299 HD22 LEU 49 1HD2 LEU 49 -2.469 -1.654 -3.239 300 HD23 LEU 49 2HD2 LEU 49 -3.183 -1.998 -4.815 301 H VAL 50 H VAL 50 -5.898 2.017 -0.731 302 HA VAL 50 HA VAL 50 -7.100 -0.070 0.964 303 HB VAL 50 HB VAL 50 -7.420 1.871 2.641 304 HG11 VAL 50 1HG1 VAL 50 -5.196 1.477 3.593 305 HG12 VAL 50 2HG1 VAL 50 -4.675 0.762 2.066 306 HG13 VAL 50 3HG1 VAL 50 -5.938 -0.015 3.019 307 HG21 VAL 50 3HG2 VAL 50 -5.177 2.998 0.967 308 HG22 VAL 50 1HG2 VAL 50 -5.708 3.615 2.531 309 HG23 VAL 50 2HG2 VAL 50 -6.790 3.692 1.140 310 H THR 51 H THR 51 -9.028 -0.446 0.175 311 HA THR 51 HA THR 51 -10.607 1.706 -0.995 312 HB THR 51 HB THR 51 -11.302 -1.234 -0.891 313 HG1 THR 51 1HG THR 51 -9.700 -1.500 -2.251 314 HG21 THR 51 3HG2 THR 51 -12.143 0.996 -2.750 315 HG22 THR 51 1HG2 THR 51 -13.139 0.266 -1.490 316 HG23 THR 51 2HG2 THR 51 -12.635 -0.692 -2.883 317 H ARG 52 H ARG 52 -12.136 2.713 0.115 318 HA ARG 52 HA ARG 52 -12.968 1.773 2.719 319 HB2 ARG 52 2HB ARG 52 -13.554 4.204 1.061 320 HB3 ARG 52 1HB ARG 52 -14.597 3.809 2.415 321 HG2 ARG 52 2HG ARG 52 -13.063 5.357 3.239 322 HG3 ARG 52 1HG ARG 52 -12.514 3.796 3.842 323 HD2 ARG 52 2HD ARG 52 -10.727 3.721 2.315 324 HD3 ARG 52 1HD ARG 52 -11.412 5.016 1.329 325 HE ARG 52 HE ARG 52 -11.027 6.148 3.791 326 HH11 ARG 52 1HH1 ARG 52 -8.928 4.502 1.510 327 HH12 ARG 52 2HH1 ARG 52 -7.542 5.455 1.925 328 HH21 ARG 52 1HH2 ARG 52 -9.228 7.403 4.303 329 HH22 ARG 52 2HH2 ARG 52 -7.712 7.143 3.495 330 HA PRO 53 HA PRO 53 -16.757 -0.261 1.459 331 HB2 PRO 53 2HB PRO 53 -18.019 0.812 3.886 332 HB3 PRO 53 1HB PRO 53 -17.693 -0.866 3.446 333 HG2 PRO 53 2HG PRO 53 -16.328 0.378 5.398 334 HG3 PRO 53 1HG PRO 53 -15.568 -0.829 4.344 335 HD2 PRO 53 2HD PRO 53 -15.400 2.160 4.234 336 HD3 PRO 53 1HD PRO 53 -14.118 0.950 4.006 337 H ASP 54 H ASP 54 -16.274 2.974 1.652 338 HA ASP 54 HA ASP 54 -18.959 3.866 1.052 339 HB2 ASP 54 2HB ASP 54 -17.360 5.277 2.339 340 HB3 ASP 54 1HB ASP 54 -16.323 5.356 0.921 341 H GLY 55 H GLY 55 -16.353 2.489 -0.595 342 HA2 GLY 55 2HA GLY 55 -16.629 1.774 -2.861 343 HA3 GLY 55 1HA GLY 55 -17.581 3.219 -3.166 344 H THR 56 H THR 56 -15.166 4.387 -1.401 345 HA THR 56 HA THR 56 -13.738 5.243 -3.783 346 HB THR 56 HB THR 56 -14.421 7.050 -2.390 347 HG1 THR 56 1HG THR 56 -12.498 8.075 -2.240 348 HG21 THR 56 3HG2 THR 56 -14.716 5.863 -0.283 349 HG22 THR 56 1HG2 THR 56 -13.716 7.298 -0.055 350 HG23 THR 56 2HG2 THR 56 -12.969 5.702 -0.113 351 H ARG 57 H ARG 57 -11.818 4.538 -4.342 352 HA ARG 57 HA ARG 57 -10.253 2.957 -2.422 353 HB2 ARG 57 2HB ARG 57 -10.889 1.646 -4.344 354 HB3 ARG 57 1HB ARG 57 -10.345 2.903 -5.440 355 HG2 ARG 57 2HG ARG 57 -8.096 2.443 -5.050 356 HG3 ARG 57 1HG ARG 57 -8.442 1.545 -3.572 357 HD2 ARG 57 2HD ARG 57 -7.815 0.129 -5.533 358 HD3 ARG 57 1HD ARG 57 -9.366 -0.271 -4.805 359 HE ARG 57 HE ARG 57 -9.726 1.551 -6.945 360 HH11 ARG 57 1HH1 ARG 57 -9.059 -1.824 -6.249 361 HH12 ARG 57 2HH1 ARG 57 -9.676 -2.386 -7.781 362 HH21 ARG 57 1HH2 ARG 57 -10.546 0.792 -8.961 363 HH22 ARG 57 2HH2 ARG 57 -10.522 -0.914 -9.290 364 H VAL 58 H VAL 58 -8.381 3.787 -1.739 365 HA VAL 58 HA VAL 58 -7.289 6.089 -3.219 366 HB VAL 58 HB VAL 58 -7.285 5.751 -0.213 367 HG11 VAL 58 1HG1 VAL 58 -6.550 8.100 -1.953 368 HG12 VAL 58 2HG1 VAL 58 -5.429 7.074 -1.059 369 HG13 VAL 58 3HG1 VAL 58 -6.577 8.091 -0.190 370 HG21 VAL 58 3HG2 VAL 58 -9.051 7.499 -1.931 371 HG22 VAL 58 1HG2 VAL 58 -8.963 7.547 -0.170 372 HG23 VAL 58 2HG2 VAL 58 -9.566 6.102 -0.983 373 H GLU 59 H GLU 59 -5.131 6.109 -3.589 374 HA GLU 59 HA GLU 59 -3.565 3.817 -2.695 375 HB2 GLU 59 2HB GLU 59 -3.118 5.960 -4.754 376 HB3 GLU 59 1HB GLU 59 -1.806 4.924 -4.217 377 HG2 GLU 59 2HG GLU 59 -3.242 2.966 -4.894 378 HG3 GLU 59 1HG GLU 59 -4.310 4.137 -5.667 379 H VAL 60 H VAL 60 -2.351 3.954 -0.945 380 HA VAL 60 HA VAL 60 -1.335 6.589 -0.117 381 HB VAL 60 HB VAL 60 -1.183 4.019 1.457 382 HG11 VAL 60 1HG1 VAL 60 0.375 5.705 2.178 383 HG12 VAL 60 2HG1 VAL 60 -0.919 5.560 3.368 384 HG13 VAL 60 3HG1 VAL 60 -0.908 6.914 2.238 385 HG21 VAL 60 3HG2 VAL 60 -3.533 4.517 1.007 386 HG22 VAL 60 1HG2 VAL 60 -3.309 6.154 1.621 387 HG23 VAL 60 2HG2 VAL 60 -3.143 4.774 2.708 388 H HIS 61 H HIS 61 0.593 7.021 -0.983 389 HA HIS 61 HA HIS 61 2.324 4.810 -1.781 390 HB2 HIS 61 2HB HIS 61 2.424 7.767 -2.346 391 HB3 HIS 61 1HB HIS 61 3.685 6.651 -2.856 392 HD1 HIS 61 1HD HIS 61 2.270 8.102 -5.073 393 HD2 HIS 61 2HD HIS 61 0.868 4.513 -3.519 394 HE1 HIS 61 1HE HIS 61 0.818 7.108 -6.867 395 HE2 HIS 61 2HE HIS 61 0.070 4.876 -5.951 396 H LEU 62 H LEU 62 4.106 4.242 -0.772 397 HA LEU 62 HA LEU 62 4.773 5.753 1.664 398 HB2 LEU 62 2HB LEU 62 4.358 2.894 1.099 399 HB3 LEU 62 1HB LEU 62 5.712 3.262 2.147 400 HG LEU 62 HG LEU 62 4.368 3.965 3.872 401 HD11 LEU 62 1HD1 LEU 62 2.151 4.546 1.915 402 HD12 LEU 62 2HD1 LEU 62 3.229 5.743 2.633 403 HD13 LEU 62 3HD1 LEU 62 2.112 4.838 3.654 404 HD21 LEU 62 3HD2 LEU 62 3.883 1.626 3.405 405 HD22 LEU 62 1HD2 LEU 62 2.567 2.111 2.334 406 HD23 LEU 62 2HD2 LEU 62 2.468 2.450 4.063 407 H ASP 63 H ASP 63 6.907 5.586 2.457 408 HA ASP 63 HA ASP 63 8.917 5.733 0.360 409 HB2 ASP 63 2HB ASP 63 8.907 7.560 1.917 410 HB3 ASP 63 1HB ASP 63 8.874 6.472 3.296 411 H ARG 64 H ARG 64 11.135 4.804 1.000 412 HA ARG 64 HA ARG 64 11.013 2.023 1.048 413 HB2 ARG 64 2HB ARG 64 13.410 3.594 1.976 414 HB3 ARG 64 1HB ARG 64 13.377 2.057 1.125 415 HG2 ARG 64 2HG ARG 64 13.387 3.050 -0.863 416 HG3 ARG 64 1HG ARG 64 12.099 4.166 -0.399 417 HD2 ARG 64 2HD ARG 64 15.046 4.445 0.174 418 HD3 ARG 64 1HD ARG 64 14.078 5.434 -0.922 419 HE ARG 64 HE ARG 64 12.836 6.186 1.109 420 HH11 ARG 64 1HH1 ARG 64 16.147 5.045 1.351 421 HH12 ARG 64 2HH1 ARG 64 16.408 5.769 2.909 422 HH21 ARG 64 1HH2 ARG 64 13.187 7.137 3.138 423 HH22 ARG 64 2HH2 ARG 64 14.733 6.986 3.908 424 H ASP 65 H ASP 65 11.305 4.338 3.683 425 HA ASP 65 HA ASP 65 11.703 2.178 5.615 426 HB2 ASP 65 2HB ASP 65 11.742 5.183 5.903 427 HB3 ASP 65 1HB ASP 65 11.819 4.093 7.283 428 H PHE 66 H PHE 66 9.170 2.921 4.044 429 HA PHE 66 HA PHE 66 6.960 2.613 4.330 430 HB2 PHE 66 2HB PHE 66 8.156 1.181 6.539 431 HB3 PHE 66 1HB PHE 66 6.552 1.780 6.952 432 HD1 PHE 66 1HD PHE 66 8.456 -0.368 4.661 433 HD2 PHE 66 2HD PHE 66 4.596 0.913 5.905 434 HE1 PHE 66 1HE PHE 66 7.437 -2.199 3.371 435 HE2 PHE 66 2HE PHE 66 3.569 -0.913 4.619 436 HZ PHE 66 HZ PHE 66 4.990 -2.470 3.350 437 H ARG 67 H ARG 67 8.011 5.212 4.881 438 HA ARG 67 HA ARG 67 6.000 6.187 6.774 439 HB2 ARG 67 2HB ARG 67 8.439 7.375 5.547 440 HB3 ARG 67 1HB ARG 67 7.107 8.459 5.927 441 HG2 ARG 67 2HG ARG 67 7.151 7.575 8.256 442 HG3 ARG 67 1HG ARG 67 8.613 6.683 7.826 443 HD2 ARG 67 2HD ARG 67 9.843 8.641 7.487 444 HD3 ARG 67 1HD ARG 67 8.393 9.639 7.388 445 HE ARG 67 HE ARG 67 8.649 8.390 9.937 446 HH11 ARG 67 1HH1 ARG 67 9.750 11.068 7.974 447 HH12 ARG 67 2HH1 ARG 67 10.164 12.066 9.335 448 HH21 ARG 67 1HH2 ARG 67 9.152 9.722 11.744 449 HH22 ARG 67 2HH2 ARG 67 9.841 11.300 11.476 450 H VAL 68 H VAL 68 4.350 7.603 6.112 451 HA VAL 68 HA VAL 68 3.411 7.115 3.454 452 HB VAL 68 HB VAL 68 1.773 7.255 5.212 453 HG11 VAL 68 1HG1 VAL 68 2.946 8.739 6.738 454 HG12 VAL 68 2HG1 VAL 68 1.311 9.323 6.428 455 HG13 VAL 68 3HG1 VAL 68 2.688 10.094 5.640 456 HG21 VAL 68 3HG2 VAL 68 0.223 8.904 4.269 457 HG22 VAL 68 1HG2 VAL 68 1.049 7.986 3.010 458 HG23 VAL 68 2HG2 VAL 68 1.555 9.636 3.372 459 H LEU 69 H LEU 69 3.974 8.179 1.710 460 HA LEU 69 HA LEU 69 5.299 10.751 1.949 461 HB2 LEU 69 2HB LEU 69 4.773 9.000 -0.449 462 HB3 LEU 69 1HB LEU 69 5.691 10.493 -0.482 463 HG LEU 69 HG LEU 69 6.442 7.988 1.027 464 HD11 LEU 69 1HD1 LEU 69 8.281 7.882 -0.588 465 HD12 LEU 69 2HD1 LEU 69 7.596 9.264 -1.445 466 HD13 LEU 69 3HD1 LEU 69 6.705 7.743 -1.364 467 HD21 LEU 69 3HD2 LEU 69 7.915 10.604 0.720 468 HD22 LEU 69 1HD2 LEU 69 8.543 9.149 1.495 469 HD23 LEU 69 2HD2 LEU 69 7.169 10.001 2.200 470 H ASP 70 H ASP 70 2.455 9.351 0.351 471 HA ASP 70 HA ASP 70 0.993 11.784 0.639 472 HB2 ASP 70 2HB ASP 70 2.399 12.406 -1.295 473 HB3 ASP 70 1HB ASP 70 1.805 10.999 -2.171 474 H THR 71 H THR 71 -1.196 11.593 -0.118 475 HA THR 71 HA THR 71 -2.044 8.807 -0.538 476 HB THR 71 HB THR 71 -3.584 10.850 1.065 477 HG1 THR 71 1HG THR 71 -1.865 8.788 2.044 478 HG21 THR 71 3HG2 THR 71 -4.864 8.960 0.164 479 HG22 THR 71 1HG2 THR 71 -4.750 8.884 1.923 480 HG23 THR 71 2HG2 THR 71 -3.736 7.839 0.928 481 H GLU 72 H GLU 72 -3.072 8.595 -2.438 482 HA GLU 72 HA GLU 72 -4.655 10.855 -3.449 483 HB2 GLU 72 2HB GLU 72 -3.756 10.356 -5.751 484 HB3 GLU 72 1HB GLU 72 -2.604 11.077 -4.639 485 HG2 GLU 72 2HG GLU 72 -1.592 8.904 -4.243 486 HG3 GLU 72 1HG GLU 72 -2.778 8.144 -5.302 487 HA PRO 73 HA PRO 73 -7.647 7.530 -3.958 488 HB2 PRO 73 2HB PRO 73 -9.080 9.657 -5.444 489 HB3 PRO 73 1HB PRO 73 -9.626 8.680 -4.077 490 HG2 PRO 73 2HG PRO 73 -9.004 11.258 -3.764 491 HG3 PRO 73 1HG PRO 73 -8.615 10.060 -2.515 492 HD2 PRO 73 2HD PRO 73 -6.819 11.327 -4.551 493 HD3 PRO 73 1HD PRO 73 -6.501 10.952 -2.844 494 H ALA 74 H ALA 74 -7.417 6.033 -5.524 495 HA ALA 74 HA ALA 74 -7.183 6.892 -8.306 496 HB1 ALA 74 1HB ALA 74 -5.157 5.648 -8.691 497 HB2 ALA 74 2HB ALA 74 -5.126 5.122 -7.008 498 HB3 ALA 74 3HB ALA 74 -4.890 6.825 -7.404 499 H ASP 75 H ASP 75 -7.220 5.038 -9.816 500 HA ASP 75 HA ASP 75 -8.734 2.782 -8.691 501 HB2 ASP 75 2HB ASP 75 -10.094 4.210 -10.192 502 HB3 ASP 75 1HB ASP 75 -8.931 3.927 -11.486 503 H GLY 76 H GLY 76 -7.767 0.884 -8.841 504 HA2 GLY 76 2HA GLY 76 -5.480 0.624 -10.669 505 HA3 GLY 76 1HA GLY 76 -5.729 -0.327 -9.212 506 H ASP 77 H ASP 77 -8.484 0.205 -11.186 507 HA ASP 77 HA ASP 77 -8.414 -2.622 -11.970 508 HB2 ASP 77 2HB ASP 77 -10.417 -1.710 -10.742 509 HB3 ASP 77 1HB ASP 77 -10.745 -0.702 -12.151 510 H GLY 78 H GLY 78 -9.161 0.587 -13.299 511 HA2 GLY 78 2HA GLY 78 -7.727 0.831 -15.460 512 HA3 GLY 78 1HA GLY 78 -8.744 -0.496 -16.002 513 H GLY 79 H GLY 79 -8.603 2.891 -15.228 514 HA2 GLY 79 2HA GLY 79 -11.381 3.296 -16.054 515 HA3 GLY 79 1HA GLY 79 -10.286 4.529 -15.444 516 H LEU 80 H LEU 80 -12.024 4.214 -17.950 517 HA LEU 80 HA LEU 80 -9.910 4.582 -19.965 518 HB2 LEU 80 2HB LEU 80 -12.847 3.973 -20.333 519 HB3 LEU 80 1HB LEU 80 -11.697 4.205 -21.636 520 HG LEU 80 HG LEU 80 -11.631 1.978 -19.601 521 HD11 LEU 80 1HD1 LEU 80 -12.186 0.544 -21.492 522 HD12 LEU 80 2HD1 LEU 80 -12.304 1.959 -22.538 523 HD13 LEU 80 3HD1 LEU 80 -13.444 1.748 -21.209 524 HD21 LEU 80 3HD2 LEU 80 -9.387 2.648 -20.313 525 HD22 LEU 80 1HD2 LEU 80 -9.872 2.476 -22.000 526 HD23 LEU 80 2HD2 LEU 80 -9.819 1.060 -20.949 527 H GLU 81 H GLU 81 -9.422 6.613 -20.378 528 HA GLU 81 HA GLU 81 -11.427 8.484 -21.154 529 HB2 GLU 81 2HB GLU 81 -10.668 10.243 -19.460 530 HB3 GLU 81 1HB GLU 81 -11.743 8.982 -18.877 531 HG2 GLU 81 2HG GLU 81 -9.812 7.796 -17.932 532 HG3 GLU 81 1HG GLU 81 -8.759 9.097 -18.486 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 8.058 4.245 17.219 2 H2 GLY 1 2HT GLY 1 9.243 3.206 16.596 3 H3 GLY 1 3HT GLY 1 8.060 2.606 17.649 4 HA2 GLY 1 1HA GLY 1 6.335 3.078 16.023 5 HA3 GLY 1 2HA GLY 1 7.571 3.686 14.928 6 H ALA 2 H ALA 2 6.266 1.876 13.721 7 HA ALA 2 HA ALA 2 7.948 -0.518 13.838 8 HB1 ALA 2 1HB ALA 2 5.990 -1.993 13.651 9 HB2 ALA 2 2HB ALA 2 4.932 -0.599 13.853 10 HB3 ALA 2 3HB ALA 2 5.997 -1.094 15.167 11 H MET 3 H MET 3 8.782 -0.724 11.880 12 HA MET 3 HA MET 3 7.326 0.262 9.560 13 HB2 MET 3 2HB MET 3 10.165 -0.651 9.975 14 HB3 MET 3 1HB MET 3 9.502 -0.405 8.366 15 HG2 MET 3 2HG MET 3 10.709 1.545 8.982 16 HG3 MET 3 1HG MET 3 8.992 1.940 8.999 17 HE1 MET 3 3HE MET 3 11.098 3.828 10.269 18 HE2 MET 3 1HE MET 3 10.392 4.209 11.841 19 HE3 MET 3 2HE MET 3 9.367 4.146 10.408 20 H ALA 4 H ALA 4 6.718 -1.026 7.847 21 HA ALA 4 HA ALA 4 6.002 -3.700 8.563 22 HB1 ALA 4 1HB ALA 4 5.675 -2.297 5.919 23 HB2 ALA 4 2HB ALA 4 4.523 -2.248 7.254 24 HB3 ALA 4 3HB ALA 4 4.859 -3.774 6.434 25 H PHE 5 H PHE 5 8.318 -4.337 8.853 26 HA PHE 5 HA PHE 5 9.176 -5.639 6.360 27 HB2 PHE 5 2HB PHE 5 10.968 -4.507 8.524 28 HB3 PHE 5 1HB PHE 5 11.526 -5.541 7.213 29 HD1 PHE 5 2HD PHE 5 10.915 -4.692 4.797 30 HD2 PHE 5 1HD PHE 5 11.083 -2.231 8.267 31 HE1 PHE 5 2HE PHE 5 11.227 -2.712 3.374 32 HE2 PHE 5 1HE PHE 5 11.391 -0.247 6.848 33 HZ PHE 5 HZ PHE 5 11.466 -0.485 4.398 34 H ASP 6 H ASP 6 8.657 -7.682 6.570 35 HA ASP 6 HA ASP 6 8.284 -9.758 7.365 36 HB2 ASP 6 2HB ASP 6 10.587 -9.832 8.092 37 HB3 ASP 6 1HB ASP 6 10.196 -8.930 9.556 38 H GLY 7 H GLY 7 6.265 -10.096 7.960 39 HA2 GLY 7 2HA GLY 7 5.459 -9.244 10.661 40 HA3 GLY 7 1HA GLY 7 4.409 -8.934 9.285 41 H GLU 8 H GLU 8 3.623 -10.800 8.079 42 HA GLU 8 HA GLU 8 2.965 -12.979 9.877 43 HB2 GLU 8 2HB GLU 8 1.259 -11.915 8.411 44 HB3 GLU 8 1HB GLU 8 2.130 -12.506 7.006 45 HG2 GLU 8 2HG GLU 8 0.166 -13.870 7.586 46 HG3 GLU 8 1HG GLU 8 1.676 -14.776 7.601 47 H ASP 9 H ASP 9 3.223 -15.231 9.246 48 HA ASP 9 HA ASP 9 5.862 -15.712 8.132 49 HB2 ASP 9 2HB ASP 9 4.795 -16.867 10.195 50 HB3 ASP 9 1HB ASP 9 3.920 -17.839 9.019 51 H GLU 10 H GLU 10 2.756 -15.472 6.992 52 HA GLU 10 HA GLU 10 2.950 -17.403 4.844 53 HB2 GLU 10 2HB GLU 10 0.933 -15.183 5.232 54 HB3 GLU 10 1HB GLU 10 0.771 -16.578 4.178 55 HG2 GLU 10 2HG GLU 10 0.981 -16.758 7.170 56 HG3 GLU 10 1HG GLU 10 -0.545 -16.691 6.290 57 H VAL 11 H VAL 11 4.772 -16.721 3.675 58 HA VAL 11 HA VAL 11 4.964 -13.948 2.854 59 HB VAL 11 HB VAL 11 6.775 -16.221 2.032 60 HG11 VAL 11 1HG1 VAL 11 7.179 -13.230 2.085 61 HG12 VAL 11 2HG1 VAL 11 6.976 -14.232 0.649 62 HG13 VAL 11 3HG1 VAL 11 8.408 -14.420 1.660 63 HG21 VAL 11 3HG2 VAL 11 8.263 -15.475 3.853 64 HG22 VAL 11 1HG2 VAL 11 6.733 -16.117 4.451 65 HG23 VAL 11 2HG2 VAL 11 7.000 -14.373 4.407 66 H THR 12 H THR 12 3.203 -13.672 1.493 67 HA THR 12 HA THR 12 3.037 -15.302 -0.920 68 HB THR 12 HB THR 12 1.017 -13.877 -1.391 69 HG1 THR 12 1HG THR 12 0.574 -12.247 -0.099 70 HG21 THR 12 3HG2 THR 12 1.077 -15.313 1.270 71 HG22 THR 12 1HG2 THR 12 0.771 -16.047 -0.305 72 HG23 THR 12 2HG2 THR 12 -0.382 -14.894 0.369 73 H GLY 13 H GLY 13 4.680 -12.632 0.103 74 HA2 GLY 13 2HA GLY 13 5.813 -11.981 -2.343 75 HA3 GLY 13 1HA GLY 13 4.470 -10.868 -2.098 76 HA PRO 14 HA PRO 14 8.499 -9.972 0.474 77 HB2 PRO 14 2HB PRO 14 9.662 -8.113 -1.187 78 HB3 PRO 14 1HB PRO 14 10.112 -9.820 -1.136 79 HG2 PRO 14 2HG PRO 14 8.315 -8.388 -3.050 80 HG3 PRO 14 1HG PRO 14 9.519 -9.650 -3.372 81 HD2 PRO 14 2HD PRO 14 6.883 -10.189 -3.271 82 HD3 PRO 14 1HD PRO 14 8.101 -11.351 -2.699 83 H ASP 15 H ASP 15 7.049 -7.597 -1.751 84 HA ASP 15 HA ASP 15 6.752 -5.715 0.469 85 HB2 ASP 15 2HB ASP 15 6.275 -4.062 -1.305 86 HB3 ASP 15 1HB ASP 15 7.826 -4.858 -1.542 87 H ALA 16 H ALA 16 4.909 -7.491 -1.926 88 HA ALA 16 HA ALA 16 2.440 -6.314 -1.796 89 HB1 ALA 16 1HB ALA 16 1.514 -8.464 -2.502 90 HB2 ALA 16 2HB ALA 16 3.025 -9.259 -2.053 91 HB3 ALA 16 3HB ALA 16 3.005 -8.082 -3.365 92 H ASP 17 H ASP 17 3.635 -8.913 0.315 93 HA ASP 17 HA ASP 17 1.271 -9.165 1.841 94 HB2 ASP 17 2HB ASP 17 2.682 -11.006 1.993 95 HB3 ASP 17 1HB ASP 17 4.123 -10.019 2.204 96 H ARG 18 H ARG 18 4.270 -7.389 2.418 97 HA ARG 18 HA ARG 18 3.559 -6.738 5.097 98 HB2 ARG 18 2HB ARG 18 5.723 -5.381 3.518 99 HB3 ARG 18 1HB ARG 18 5.667 -5.727 5.246 100 HG2 ARG 18 2HG ARG 18 5.604 -8.198 4.503 101 HG3 ARG 18 1HG ARG 18 6.212 -7.577 2.970 102 HD2 ARG 18 2HD ARG 18 8.100 -6.548 4.158 103 HD3 ARG 18 1HD ARG 18 7.505 -7.223 5.673 104 HE ARG 18 HE ARG 18 9.168 -8.523 3.878 105 HH11 ARG 18 1HH1 ARG 18 6.081 -9.274 5.410 106 HH12 ARG 18 2HH1 ARG 18 6.398 -10.973 5.469 107 HH21 ARG 18 1HH2 ARG 18 9.558 -10.761 3.977 108 HH22 ARG 18 2HH2 ARG 18 8.371 -11.810 4.690 109 H ALA 19 H ALA 19 3.502 -4.992 2.033 110 HA ALA 19 HA ALA 19 2.805 -2.480 3.144 111 HB1 ALA 19 1HB ALA 19 2.245 -3.579 0.388 112 HB2 ALA 19 2HB ALA 19 3.693 -2.700 0.881 113 HB3 ALA 19 3HB ALA 19 2.128 -1.887 0.868 114 H ARG 20 H ARG 20 0.932 -5.188 1.906 115 HA ARG 20 HA ARG 20 -1.629 -4.070 2.157 116 HB2 ARG 20 2HB ARG 20 -1.191 -6.079 0.854 117 HB3 ARG 20 1HB ARG 20 -0.693 -6.942 2.301 118 HG2 ARG 20 2HG ARG 20 -2.987 -6.721 3.178 119 HG3 ARG 20 1HG ARG 20 -3.463 -5.961 1.655 120 HD2 ARG 20 2HD ARG 20 -2.869 -7.946 0.425 121 HD3 ARG 20 1HD ARG 20 -2.224 -8.700 1.880 122 HE ARG 20 HE ARG 20 -5.064 -7.977 1.808 123 HH11 ARG 20 1HH1 ARG 20 -2.556 -10.420 1.833 124 HH12 ARG 20 2HH1 ARG 20 -3.641 -11.730 2.182 125 HH21 ARG 20 1HH2 ARG 20 -6.515 -9.711 2.244 126 HH22 ARG 20 2HH2 ARG 20 -5.889 -11.333 2.385 127 H ALA 21 H ALA 21 0.309 -6.028 4.393 128 HA ALA 21 HA ALA 21 -1.674 -6.169 6.423 129 HB1 ALA 21 1HB ALA 21 0.139 -7.799 6.229 130 HB2 ALA 21 2HB ALA 21 0.101 -7.058 7.829 131 HB3 ALA 21 3HB ALA 21 1.309 -6.547 6.650 132 H ALA 22 H ALA 22 0.618 -3.739 5.550 133 HA ALA 22 HA ALA 22 0.553 -2.449 8.144 134 HB1 ALA 22 1HB ALA 22 1.997 -0.776 7.145 135 HB2 ALA 22 2HB ALA 22 1.739 -1.480 5.548 136 HB3 ALA 22 3HB ALA 22 2.597 -2.397 6.788 137 H ALA 23 H ALA 23 -0.851 -1.993 4.947 138 HA ALA 23 HA ALA 23 -1.814 0.627 5.415 139 HB1 ALA 23 1HB ALA 23 -3.012 0.352 3.327 140 HB2 ALA 23 2HB ALA 23 -2.700 -1.383 3.361 141 HB3 ALA 23 3HB ALA 23 -1.360 -0.250 3.187 142 H VAL 24 H VAL 24 -3.085 -2.494 6.231 143 HA VAL 24 HA VAL 24 -5.826 -1.857 6.267 144 HB VAL 24 HB VAL 24 -4.965 -4.170 6.371 145 HG11 VAL 24 1HG1 VAL 24 -3.131 -3.857 7.924 146 HG12 VAL 24 2HG1 VAL 24 -4.226 -5.115 8.502 147 HG13 VAL 24 3HG1 VAL 24 -4.270 -3.506 9.224 148 HG21 VAL 24 3HG2 VAL 24 -7.269 -3.746 6.957 149 HG22 VAL 24 1HG2 VAL 24 -6.807 -3.396 8.624 150 HG23 VAL 24 2HG2 VAL 24 -6.618 -5.027 7.980 151 H GLN 25 H GLN 25 -3.264 -1.018 8.435 152 HA GLN 25 HA GLN 25 -4.976 -0.351 10.648 153 HB2 GLN 25 2HB GLN 25 -2.071 0.066 10.050 154 HB3 GLN 25 1HB GLN 25 -2.825 0.970 11.352 155 HG2 GLN 25 2HG GLN 25 -1.873 -0.891 12.380 156 HG3 GLN 25 1HG GLN 25 -3.591 -1.262 12.269 157 HE21 GLN 25 1HE2 GLN 25 -1.346 -1.419 9.582 158 HE22 GLN 25 2HE2 GLN 25 -1.402 -3.142 9.397 159 H ALA 26 H ALA 26 -4.198 1.146 7.705 160 HA ALA 26 HA ALA 26 -4.638 3.849 8.736 161 HB1 ALA 26 1HB ALA 26 -3.846 2.927 5.975 162 HB2 ALA 26 2HB ALA 26 -2.749 3.520 7.223 163 HB3 ALA 26 3HB ALA 26 -3.948 4.604 6.515 164 H VAL 27 H VAL 27 -6.367 1.309 7.308 165 HA VAL 27 HA VAL 27 -8.458 3.187 6.439 166 HB VAL 27 HB VAL 27 -7.589 1.946 4.540 167 HG11 VAL 27 1HG1 VAL 27 -7.845 -0.485 4.355 168 HG12 VAL 27 2HG1 VAL 27 -8.388 -0.545 6.033 169 HG13 VAL 27 3HG1 VAL 27 -6.744 -0.031 5.656 170 HG21 VAL 27 3HG2 VAL 27 -10.334 0.980 5.317 171 HG22 VAL 27 1HG2 VAL 27 -9.671 1.010 3.683 172 HG23 VAL 27 2HG2 VAL 27 -9.958 2.521 4.547 173 HA PRO 28 HA PRO 28 -10.690 1.389 9.835 174 HB2 PRO 28 2HB PRO 28 -12.940 3.038 9.069 175 HB3 PRO 28 1HB PRO 28 -11.870 3.208 10.462 176 HG2 PRO 28 2HG PRO 28 -11.932 4.958 8.362 177 HG3 PRO 28 1HG PRO 28 -10.514 4.701 9.392 178 HD2 PRO 28 2HD PRO 28 -11.099 3.634 6.663 179 HD3 PRO 28 1HD PRO 28 -9.560 4.195 7.351 180 H GLY 29 H GLY 29 -11.123 -0.685 9.202 181 HA2 GLY 29 2HA GLY 29 -12.395 -2.462 8.508 182 HA3 GLY 29 1HA GLY 29 -13.762 -1.363 8.576 183 H GLY 30 H GLY 30 -10.925 -1.121 6.493 184 HA2 GLY 30 2HA GLY 30 -12.765 -1.103 4.202 185 HA3 GLY 30 1HA GLY 30 -11.171 -0.363 4.237 186 H THR 31 H THR 31 -11.223 -1.613 2.126 187 HA THR 31 HA THR 31 -10.546 -4.438 2.482 188 HB THR 31 HB THR 31 -10.868 -2.919 -0.110 189 HG1 THR 31 1HG THR 31 -12.895 -4.615 0.761 190 HG21 THR 31 3HG2 THR 31 -11.223 -5.138 -1.076 191 HG22 THR 31 1HG2 THR 31 -11.007 -5.876 0.511 192 HG23 THR 31 2HG2 THR 31 -9.657 -5.054 -0.270 193 H ALA 32 H ALA 32 -8.479 -4.883 2.814 194 HA ALA 32 HA ALA 32 -6.411 -3.179 1.614 195 HB1 ALA 32 1HB ALA 32 -4.869 -4.235 3.196 196 HB2 ALA 32 2HB ALA 32 -6.177 -5.261 3.787 197 HB3 ALA 32 3HB ALA 32 -6.248 -3.516 4.032 198 H GLY 33 H GLY 33 -5.905 -3.847 -0.359 199 HA2 GLY 33 2HA GLY 33 -5.973 -6.726 -0.947 200 HA3 GLY 33 1HA GLY 33 -6.062 -5.436 -2.135 201 H GLU 34 H GLU 34 -4.328 -7.609 -2.395 202 HA GLU 34 HA GLU 34 -1.703 -6.933 -1.511 203 HB2 GLU 34 2HB GLU 34 -0.976 -8.630 -3.220 204 HB3 GLU 34 1HB GLU 34 -2.116 -9.222 -2.022 205 HG2 GLU 34 2HG GLU 34 -3.929 -9.018 -3.629 206 HG3 GLU 34 1HG GLU 34 -2.805 -8.381 -4.828 207 H VAL 35 H VAL 35 -0.023 -5.976 -2.623 208 HA VAL 35 HA VAL 35 -0.824 -4.375 -4.957 209 HB VAL 35 HB VAL 35 0.419 -2.464 -4.038 210 HG11 VAL 35 1HG1 VAL 35 -1.169 -1.851 -2.278 211 HG12 VAL 35 2HG1 VAL 35 -1.697 -3.531 -2.174 212 HG13 VAL 35 3HG1 VAL 35 -1.979 -2.608 -3.650 213 HG21 VAL 35 3HG2 VAL 35 0.711 -4.176 -1.568 214 HG22 VAL 35 1HG2 VAL 35 1.128 -2.466 -1.688 215 HG23 VAL 35 2HG2 VAL 35 2.013 -3.657 -2.639 216 H GLU 36 H GLU 36 0.897 -3.638 -6.296 217 HA GLU 36 HA GLU 36 3.289 -5.332 -6.143 218 HB2 GLU 36 2HB GLU 36 3.591 -4.772 -8.551 219 HB3 GLU 36 1HB GLU 36 2.091 -5.627 -8.223 220 HG2 GLU 36 2HG GLU 36 0.803 -3.661 -8.486 221 HG3 GLU 36 1HG GLU 36 2.239 -2.637 -8.469 222 H THR 37 H THR 37 5.343 -4.361 -6.642 223 HA THR 37 HA THR 37 5.713 -1.835 -5.376 224 HB THR 37 HB THR 37 7.959 -2.814 -6.981 225 HG1 THR 37 1HG THR 37 6.748 -4.523 -5.019 226 HG21 THR 37 3HG2 THR 37 8.145 -1.216 -5.102 227 HG22 THR 37 1HG2 THR 37 9.130 -2.658 -4.857 228 HG23 THR 37 2HG2 THR 37 7.601 -2.478 -3.997 229 H GLU 38 H GLU 38 5.624 0.126 -6.298 230 HA GLU 38 HA GLU 38 5.160 0.409 -9.101 231 HB2 GLU 38 2HB GLU 38 5.745 2.527 -7.027 232 HB3 GLU 38 1HB GLU 38 5.152 2.824 -8.654 233 HG2 GLU 38 2HG GLU 38 3.105 1.554 -8.098 234 HG3 GLU 38 1HG GLU 38 3.699 1.387 -6.446 235 H THR 39 H THR 39 6.634 0.508 -10.640 236 HA THR 39 HA THR 39 9.422 0.731 -10.000 237 HB THR 39 HB THR 39 8.769 -0.761 -11.797 238 HG1 THR 39 1HG THR 39 10.802 0.385 -11.931 239 HG21 THR 39 3HG2 THR 39 6.772 0.395 -12.595 240 HG22 THR 39 1HG2 THR 39 7.888 0.083 -13.925 241 HG23 THR 39 2HG2 THR 39 7.771 1.701 -13.233 242 H GLY 40 H GLY 40 10.647 2.509 -10.022 243 HA2 GLY 40 2HA GLY 40 10.262 4.739 -11.684 244 HA3 GLY 40 1HA GLY 40 9.495 5.062 -10.136 245 H GLU 41 H GLU 41 10.934 6.718 -9.656 246 HA GLU 41 HA GLU 41 13.449 5.823 -8.531 247 HB2 GLU 41 2HB GLU 41 13.787 6.516 -10.999 248 HB3 GLU 41 1HB GLU 41 13.471 8.154 -10.453 249 HG2 GLU 41 2HG GLU 41 15.656 6.413 -9.340 250 HG3 GLU 41 1HG GLU 41 15.881 7.541 -10.672 251 H GLY 42 H GLY 42 13.812 6.886 -6.660 252 HA2 GLY 42 2HA GLY 42 13.937 9.164 -5.658 253 HA3 GLY 42 1HA GLY 42 12.280 9.368 -6.209 254 H ALA 43 H ALA 43 11.130 9.517 -4.394 255 HA ALA 43 HA ALA 43 11.729 7.806 -2.133 256 HB1 ALA 43 1HB ALA 43 10.003 9.107 -0.972 257 HB2 ALA 43 2HB ALA 43 9.639 9.955 -2.475 258 HB3 ALA 43 3HB ALA 43 11.219 10.144 -1.715 259 H ALA 44 H ALA 44 9.391 8.065 -4.711 260 HA ALA 44 HA ALA 44 7.402 6.418 -3.484 261 HB1 ALA 44 1HB ALA 44 6.836 8.056 -5.207 262 HB2 ALA 44 2HB ALA 44 6.313 6.434 -5.656 263 HB3 ALA 44 3HB ALA 44 7.757 7.129 -6.393 264 H ALA 45 H ALA 45 8.007 4.429 -2.909 265 HA ALA 45 HA ALA 45 9.216 2.721 -4.985 266 HB1 ALA 45 1HB ALA 45 10.203 1.387 -3.195 267 HB2 ALA 45 2HB ALA 45 9.471 2.445 -1.990 268 HB3 ALA 45 3HB ALA 45 10.708 3.071 -3.077 269 H TYR 46 H TYR 46 6.876 2.844 -2.321 270 HA TYR 46 HA TYR 46 5.683 0.359 -3.378 271 HB2 TYR 46 2HB TYR 46 5.360 1.445 -0.575 272 HB3 TYR 46 1HB TYR 46 4.843 -0.125 -1.174 273 HD1 TYR 46 1HD TYR 46 6.661 -1.802 -1.848 274 HD2 TYR 46 2HD TYR 46 7.463 1.735 0.378 275 HE1 TYR 46 1HE TYR 46 8.779 -2.780 -1.057 276 HE2 TYR 46 2HE TYR 46 9.580 0.770 1.164 277 HH TYR 46 HH TYR 46 10.488 -1.593 1.520 278 H GLY 47 H GLY 47 3.640 0.447 -4.091 279 HA2 GLY 47 2HA GLY 47 2.024 2.805 -3.344 280 HA3 GLY 47 1HA GLY 47 1.929 2.032 -4.926 281 H VAL 48 H VAL 48 0.489 2.248 -1.959 282 HA VAL 48 HA VAL 48 -0.523 -0.519 -2.053 283 HB VAL 48 HB VAL 48 -0.705 1.310 0.332 284 HG11 VAL 48 1HG1 VAL 48 -0.966 -0.809 1.553 285 HG12 VAL 48 2HG1 VAL 48 -0.844 -1.692 0.032 286 HG13 VAL 48 3HG1 VAL 48 -2.210 -0.614 0.317 287 HG21 VAL 48 3HG2 VAL 48 1.657 1.083 -0.252 288 HG22 VAL 48 1HG2 VAL 48 1.483 -0.672 -0.293 289 HG23 VAL 48 2HG2 VAL 48 1.284 0.198 1.227 290 H LEU 49 H LEU 49 -2.685 -0.897 -2.108 291 HA LEU 49 HA LEU 49 -4.377 1.457 -2.536 292 HB2 LEU 49 2HB LEU 49 -5.911 -0.162 -3.688 293 HB3 LEU 49 1HB LEU 49 -4.363 0.090 -4.469 294 HG LEU 49 HG LEU 49 -3.760 -2.085 -3.012 295 HD11 LEU 49 1HD1 LEU 49 -5.591 -3.670 -3.055 296 HD12 LEU 49 2HD1 LEU 49 -6.674 -2.432 -3.692 297 HD13 LEU 49 3HD1 LEU 49 -6.009 -2.271 -2.066 298 HD21 LEU 49 3HD2 LEU 49 -5.118 -2.065 -5.702 299 HD22 LEU 49 1HD2 LEU 49 -4.159 -3.393 -5.047 300 HD23 LEU 49 2HD2 LEU 49 -3.396 -1.841 -5.390 301 H VAL 50 H VAL 50 -5.869 1.960 -1.092 302 HA VAL 50 HA VAL 50 -6.944 -0.179 0.622 303 HB VAL 50 HB VAL 50 -7.218 1.681 2.402 304 HG11 VAL 50 1HG1 VAL 50 -4.498 0.548 1.765 305 HG12 VAL 50 2HG1 VAL 50 -5.775 -0.262 2.673 306 HG13 VAL 50 3HG1 VAL 50 -5.004 1.183 3.329 307 HG21 VAL 50 3HG2 VAL 50 -4.956 2.833 0.772 308 HG22 VAL 50 1HG2 VAL 50 -5.462 3.390 2.366 309 HG23 VAL 50 2HG2 VAL 50 -6.550 3.559 0.986 310 H THR 51 H THR 51 -9.037 -0.399 0.431 311 HA THR 51 HA THR 51 -10.553 1.780 -0.825 312 HB THR 51 HB THR 51 -11.427 -1.094 -0.524 313 HG1 THR 51 1HG THR 51 -9.352 -0.395 -1.837 314 HG21 THR 51 3HG2 THR 51 -12.868 -0.561 -2.430 315 HG22 THR 51 1HG2 THR 51 -12.236 1.085 -2.455 316 HG23 THR 51 2HG2 THR 51 -13.184 0.525 -1.076 317 H ARG 52 H ARG 52 -11.964 2.895 0.363 318 HA ARG 52 HA ARG 52 -12.725 2.001 3.014 319 HB2 ARG 52 2HB ARG 52 -13.078 4.485 1.414 320 HB3 ARG 52 1HB ARG 52 -14.313 4.139 2.612 321 HG2 ARG 52 2HG ARG 52 -12.719 5.574 3.612 322 HG3 ARG 52 1HG ARG 52 -12.508 3.975 4.322 323 HD2 ARG 52 2HD ARG 52 -10.589 3.570 2.890 324 HD3 ARG 52 1HD ARG 52 -10.822 5.135 2.107 325 HE ARG 52 HE ARG 52 -10.593 5.575 4.855 326 HH11 ARG 52 1HH1 ARG 52 -8.581 4.485 2.198 327 HH12 ARG 52 2HH1 ARG 52 -7.110 5.041 2.925 328 HH21 ARG 52 1HH2 ARG 52 -8.669 6.289 5.814 329 HH22 ARG 52 2HH2 ARG 52 -7.149 6.074 4.985 330 HA PRO 53 HA PRO 53 -16.418 -0.183 2.041 331 HB2 PRO 53 2HB PRO 53 -17.806 1.463 4.090 332 HB3 PRO 53 1HB PRO 53 -17.667 -0.294 3.961 333 HG2 PRO 53 2HG PRO 53 -16.254 1.049 5.774 334 HG3 PRO 53 1HG PRO 53 -15.549 -0.328 4.908 335 HD2 PRO 53 2HD PRO 53 -15.117 2.601 4.492 336 HD3 PRO 53 1HD PRO 53 -13.952 1.265 4.399 337 H ASP 54 H ASP 54 -16.525 3.312 2.152 338 HA ASP 54 HA ASP 54 -19.024 3.723 0.914 339 HB2 ASP 54 2HB ASP 54 -16.525 5.384 1.105 340 HB3 ASP 54 1HB ASP 54 -17.890 5.923 0.136 341 H GLY 55 H GLY 55 -15.938 2.754 -0.338 342 HA2 GLY 55 2HA GLY 55 -15.991 1.640 -2.525 343 HA3 GLY 55 1HA GLY 55 -17.046 2.938 -3.074 344 H THR 56 H THR 56 -15.130 4.685 -1.308 345 HA THR 56 HA THR 56 -13.498 5.532 -3.478 346 HB THR 56 HB THR 56 -14.259 7.206 -1.929 347 HG1 THR 56 1HG THR 56 -12.171 8.111 -1.339 348 HG21 THR 56 3HG2 THR 56 -12.711 5.720 0.190 349 HG22 THR 56 1HG2 THR 56 -14.465 5.865 0.085 350 HG23 THR 56 2HG2 THR 56 -13.478 7.294 0.401 351 H ARG 57 H ARG 57 -11.501 5.011 -3.989 352 HA ARG 57 HA ARG 57 -10.066 3.133 -2.235 353 HB2 ARG 57 2HB ARG 57 -11.115 2.157 -4.293 354 HB3 ARG 57 1HB ARG 57 -10.096 3.208 -5.258 355 HG2 ARG 57 2HG ARG 57 -8.187 1.990 -4.801 356 HG3 ARG 57 1HG ARG 57 -8.865 1.292 -3.321 357 HD2 ARG 57 2HD ARG 57 -10.320 -0.119 -4.542 358 HD3 ARG 57 1HD ARG 57 -10.010 0.740 -6.045 359 HE ARG 57 HE ARG 57 -7.714 -0.225 -5.930 360 HH11 ARG 57 1HH1 ARG 57 -10.271 -1.728 -4.069 361 HH12 ARG 57 2HH1 ARG 57 -9.694 -3.344 -4.324 362 HH21 ARG 57 1HH2 ARG 57 -6.966 -2.372 -6.316 363 HH22 ARG 57 2HH2 ARG 57 -7.806 -3.706 -5.587 364 H VAL 58 H VAL 58 -8.168 3.880 -1.558 365 HA VAL 58 HA VAL 58 -7.067 6.252 -2.910 366 HB VAL 58 HB VAL 58 -6.672 5.350 -0.048 367 HG11 VAL 58 1HG1 VAL 58 -4.786 6.642 -0.886 368 HG12 VAL 58 2HG1 VAL 58 -5.701 7.565 0.306 369 HG13 VAL 58 3HG1 VAL 58 -5.882 7.921 -1.412 370 HG21 VAL 58 3HG2 VAL 58 -8.127 7.211 0.561 371 HG22 VAL 58 1HG2 VAL 58 -8.973 6.047 -0.460 372 HG23 VAL 58 2HG2 VAL 58 -8.396 7.567 -1.145 373 H GLU 59 H GLU 59 -5.005 6.277 -3.634 374 HA GLU 59 HA GLU 59 -3.411 3.847 -3.287 375 HB2 GLU 59 2HB GLU 59 -1.967 4.816 -5.081 376 HB3 GLU 59 1HB GLU 59 -3.626 4.547 -5.589 377 HG2 GLU 59 2HG GLU 59 -4.112 6.911 -5.320 378 HG3 GLU 59 1HG GLU 59 -2.468 7.195 -4.754 379 H VAL 60 H VAL 60 -2.106 3.833 -1.615 380 HA VAL 60 HA VAL 60 -1.084 6.365 -0.546 381 HB VAL 60 HB VAL 60 -0.869 3.613 0.676 382 HG11 VAL 60 1HG1 VAL 60 -0.452 4.854 2.754 383 HG12 VAL 60 2HG1 VAL 60 -0.509 6.367 1.850 384 HG13 VAL 60 3HG1 VAL 60 0.766 5.193 1.525 385 HG21 VAL 60 3HG2 VAL 60 -2.928 5.756 1.194 386 HG22 VAL 60 1HG2 VAL 60 -2.749 4.260 2.112 387 HG23 VAL 60 2HG2 VAL 60 -3.218 4.200 0.412 388 H HIS 61 H HIS 61 0.829 6.992 -1.267 389 HA HIS 61 HA HIS 61 2.695 5.019 -2.306 390 HB2 HIS 61 2HB HIS 61 2.620 8.021 -2.382 391 HB3 HIS 61 1HB HIS 61 4.049 7.119 -2.879 392 HD1 HIS 61 1HD HIS 61 2.878 8.728 -5.065 393 HD2 HIS 61 2HD HIS 61 1.496 4.906 -4.178 394 HE1 HIS 61 1HE HIS 61 1.775 7.898 -7.165 395 HE2 HIS 61 2HE HIS 61 1.216 5.494 -6.674 396 H LEU 62 H LEU 62 4.270 4.217 -1.213 397 HA LEU 62 HA LEU 62 5.056 5.456 1.343 398 HB2 LEU 62 2HB LEU 62 4.428 2.716 0.495 399 HB3 LEU 62 1HB LEU 62 5.885 2.848 1.456 400 HG LEU 62 HG LEU 62 4.747 3.363 3.374 401 HD11 LEU 62 1HD1 LEU 62 2.551 4.470 3.453 402 HD12 LEU 62 2HD1 LEU 62 2.509 4.501 1.690 403 HD13 LEU 62 3HD1 LEU 62 3.729 5.433 2.560 404 HD21 LEU 62 3HD2 LEU 62 2.603 2.009 1.753 405 HD22 LEU 62 1HD2 LEU 62 2.717 2.042 3.513 406 HD23 LEU 62 2HD2 LEU 62 3.943 1.197 2.566 407 H ASP 63 H ASP 63 7.252 5.557 1.858 408 HA ASP 63 HA ASP 63 8.980 5.461 -0.483 409 HB2 ASP 63 2HB ASP 63 10.609 6.721 0.865 410 HB3 ASP 63 1HB ASP 63 9.053 7.526 0.781 411 H ARG 64 H ARG 64 11.442 5.179 0.754 412 HA ARG 64 HA ARG 64 11.672 2.381 0.481 413 HB2 ARG 64 2HB ARG 64 13.796 4.193 1.612 414 HB3 ARG 64 1HB ARG 64 14.008 2.705 0.699 415 HG2 ARG 64 2HG ARG 64 13.120 3.794 -1.297 416 HG3 ARG 64 1HG ARG 64 12.906 5.289 -0.385 417 HD2 ARG 64 2HD ARG 64 15.420 5.096 0.121 418 HD3 ARG 64 1HD ARG 64 15.455 3.928 -1.200 419 HE ARG 64 HE ARG 64 14.349 6.617 -1.647 420 HH11 ARG 64 1HH1 ARG 64 16.785 4.191 -2.341 421 HH12 ARG 64 2HH1 ARG 64 17.448 5.066 -3.688 422 HH21 ARG 64 1HH2 ARG 64 15.223 7.765 -3.399 423 HH22 ARG 64 2HH2 ARG 64 16.585 7.124 -4.270 424 H ASP 65 H ASP 65 11.024 4.335 3.217 425 HA ASP 65 HA ASP 65 11.853 2.158 5.024 426 HB2 ASP 65 2HB ASP 65 11.483 5.110 5.517 427 HB3 ASP 65 1HB ASP 65 11.584 3.944 6.831 428 H PHE 66 H PHE 66 9.290 2.801 3.367 429 HA PHE 66 HA PHE 66 7.080 2.331 3.541 430 HB2 PHE 66 2HB PHE 66 8.239 0.888 5.822 431 HB3 PHE 66 1HB PHE 66 6.530 1.274 6.005 432 HD1 PHE 66 2HD PHE 66 4.907 0.477 4.335 433 HD2 PHE 66 1HD PHE 66 8.967 -0.786 4.312 434 HE1 PHE 66 2HE PHE 66 4.305 -1.412 2.886 435 HE2 PHE 66 1HE PHE 66 8.373 -2.677 2.855 436 HZ PHE 66 HZ PHE 66 6.036 -2.983 2.139 437 H ARG 67 H ARG 67 8.190 4.858 4.406 438 HA ARG 67 HA ARG 67 6.288 5.745 6.429 439 HB2 ARG 67 2HB ARG 67 8.479 6.604 6.726 440 HB3 ARG 67 1HB ARG 67 8.624 7.030 5.031 441 HG2 ARG 67 2HG ARG 67 6.972 8.808 5.339 442 HG3 ARG 67 1HG ARG 67 6.844 8.378 7.049 443 HD2 ARG 67 2HD ARG 67 8.409 10.306 6.438 444 HD3 ARG 67 1HD ARG 67 9.045 9.045 7.499 445 HE ARG 67 HE ARG 67 9.525 8.692 4.649 446 HH11 ARG 67 1HH1 ARG 67 10.790 9.811 7.724 447 HH12 ARG 67 2HH1 ARG 67 12.452 9.661 7.237 448 HH21 ARG 67 1HH2 ARG 67 11.685 8.473 4.025 449 HH22 ARG 67 2HH2 ARG 67 12.960 8.902 5.121 450 H VAL 68 H VAL 68 4.559 7.043 6.000 451 HA VAL 68 HA VAL 68 3.431 6.870 3.421 452 HB VAL 68 HB VAL 68 1.976 6.910 5.328 453 HG11 VAL 68 1HG1 VAL 68 3.314 8.264 6.841 454 HG12 VAL 68 2HG1 VAL 68 1.669 8.891 6.732 455 HG13 VAL 68 3HG1 VAL 68 2.979 9.700 5.873 456 HG21 VAL 68 3HG2 VAL 68 1.644 9.379 3.637 457 HG22 VAL 68 1HG2 VAL 68 0.390 8.690 4.669 458 HG23 VAL 68 2HG2 VAL 68 1.014 7.767 3.301 459 H LEU 69 H LEU 69 3.919 7.993 1.700 460 HA LEU 69 HA LEU 69 5.211 10.593 1.924 461 HB2 LEU 69 2HB LEU 69 4.587 8.860 -0.467 462 HB3 LEU 69 1HB LEU 69 5.430 10.393 -0.548 463 HG LEU 69 HG LEU 69 6.417 7.945 0.913 464 HD11 LEU 69 1HD1 LEU 69 7.277 9.149 -1.714 465 HD12 LEU 69 2HD1 LEU 69 6.388 7.639 -1.507 466 HD13 LEU 69 3HD1 LEU 69 8.039 7.782 -0.901 467 HD21 LEU 69 3HD2 LEU 69 7.735 10.598 0.339 468 HD22 LEU 69 1HD2 LEU 69 8.519 9.201 1.076 469 HD23 LEU 69 2HD2 LEU 69 7.203 10.019 1.918 470 H ASP 70 H ASP 70 2.459 9.224 0.111 471 HA ASP 70 HA ASP 70 0.945 11.665 0.392 472 HB2 ASP 70 2HB ASP 70 2.511 12.266 -1.417 473 HB3 ASP 70 1HB ASP 70 2.012 10.845 -2.324 474 H THR 71 H THR 71 -1.231 11.401 -0.214 475 HA THR 71 HA THR 71 -1.964 8.658 -1.000 476 HB THR 71 HB THR 71 -4.056 9.029 0.423 477 HG1 THR 71 1HG THR 71 -2.821 11.384 0.824 478 HG21 THR 71 3HG2 THR 71 -1.385 8.819 1.817 479 HG22 THR 71 1HG2 THR 71 -2.276 7.487 1.078 480 HG23 THR 71 2HG2 THR 71 -2.938 8.319 2.485 481 H GLU 72 H GLU 72 -2.764 8.771 -2.984 482 HA GLU 72 HA GLU 72 -4.399 11.098 -3.749 483 HB2 GLU 72 2HB GLU 72 -2.677 9.202 -5.320 484 HB3 GLU 72 1HB GLU 72 -3.945 10.124 -6.111 485 HG2 GLU 72 2HG GLU 72 -1.786 11.402 -4.466 486 HG3 GLU 72 1HG GLU 72 -1.630 11.101 -6.197 487 HA PRO 73 HA PRO 73 -7.893 8.364 -4.319 488 HB2 PRO 73 2HB PRO 73 -8.864 10.030 -6.494 489 HB3 PRO 73 1HB PRO 73 -9.517 9.847 -4.866 490 HG2 PRO 73 2HG PRO 73 -8.333 12.135 -5.746 491 HG3 PRO 73 1HG PRO 73 -8.336 11.630 -4.047 492 HD2 PRO 73 2HD PRO 73 -6.165 11.391 -6.095 493 HD3 PRO 73 1HD PRO 73 -6.052 11.817 -4.373 494 H ALA 74 H ALA 74 -7.778 6.479 -5.370 495 HA ALA 74 HA ALA 74 -6.359 6.300 -7.884 496 HB1 ALA 74 1HB ALA 74 -6.003 4.616 -6.140 497 HB2 ALA 74 2HB ALA 74 -6.615 3.891 -7.627 498 HB3 ALA 74 3HB ALA 74 -7.696 4.140 -6.256 499 H ASP 75 H ASP 75 -7.264 5.261 -9.769 500 HA ASP 75 HA ASP 75 -9.993 6.153 -10.225 501 HB2 ASP 75 2HB ASP 75 -8.277 6.624 -11.924 502 HB3 ASP 75 1HB ASP 75 -8.007 4.895 -12.132 503 H GLY 76 H GLY 76 -11.740 4.869 -10.602 504 HA2 GLY 76 2HA GLY 76 -11.367 2.084 -9.747 505 HA3 GLY 76 1HA GLY 76 -12.870 2.990 -9.669 506 H ASP 77 H ASP 77 -11.519 3.625 -12.620 507 HA ASP 77 HA ASP 77 -13.268 1.643 -13.886 508 HB2 ASP 77 2HB ASP 77 -13.659 3.973 -14.520 509 HB3 ASP 77 1HB ASP 77 -11.980 4.132 -15.032 510 H GLY 78 H GLY 78 -10.055 3.090 -14.370 511 HA2 GLY 78 2HA GLY 78 -8.144 1.550 -14.600 512 HA3 GLY 78 1HA GLY 78 -9.196 0.512 -15.554 513 H GLY 79 H GLY 79 -10.426 2.783 -16.943 514 HA2 GLY 79 2HA GLY 79 -8.371 3.098 -18.979 515 HA3 GLY 79 1HA GLY 79 -10.067 3.534 -19.129 516 H LEU 80 H LEU 80 -7.059 4.482 -17.529 517 HA LEU 80 HA LEU 80 -7.944 7.073 -16.807 518 HB2 LEU 80 2HB LEU 80 -5.221 5.826 -17.068 519 HB3 LEU 80 1HB LEU 80 -5.424 7.514 -16.634 520 HG LEU 80 HG LEU 80 -6.548 5.186 -15.070 521 HD11 LEU 80 1HD1 LEU 80 -4.160 6.950 -14.527 522 HD12 LEU 80 2HD1 LEU 80 -4.114 5.239 -14.951 523 HD13 LEU 80 3HD1 LEU 80 -4.823 5.748 -13.419 524 HD21 LEU 80 3HD2 LEU 80 -6.431 8.141 -14.481 525 HD22 LEU 80 1HD2 LEU 80 -6.990 6.896 -13.365 526 HD23 LEU 80 2HD2 LEU 80 -7.879 7.207 -14.856 527 H GLU 81 H GLU 81 -7.928 8.943 -17.863 528 HA GLU 81 HA GLU 81 -6.961 8.943 -20.626 529 HB2 GLU 81 2HB GLU 81 -8.415 11.054 -20.768 530 HB3 GLU 81 1HB GLU 81 -9.235 9.505 -20.656 531 HG2 GLU 81 2HG GLU 81 -9.722 9.855 -18.341 532 HG3 GLU 81 1HG GLU 81 -8.724 11.307 -18.304 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 12.209 3.475 16.867 2 H2 GLY 1 2HT GLY 1 12.147 1.919 16.192 3 H3 GLY 1 3HT GLY 1 10.828 2.514 17.063 4 HA2 GLY 1 1HA GLY 1 10.529 4.268 15.391 5 HA3 GLY 1 2HA GLY 1 11.823 3.523 14.463 6 H ALA 2 H ALA 2 9.938 3.531 12.887 7 HA ALA 2 HA ALA 2 8.519 0.975 13.181 8 HB1 ALA 2 1HB ALA 2 6.932 2.752 13.645 9 HB2 ALA 2 2HB ALA 2 6.537 1.945 12.128 10 HB3 ALA 2 3HB ALA 2 7.323 3.523 12.109 11 H MET 3 H MET 3 10.139 0.041 11.879 12 HA MET 3 HA MET 3 9.945 0.770 9.039 13 HB2 MET 3 2HB MET 3 11.970 -1.007 10.425 14 HB3 MET 3 1HB MET 3 11.932 -0.671 8.701 15 HG2 MET 3 2HG MET 3 13.595 0.724 9.526 16 HG3 MET 3 1HG MET 3 12.197 1.778 9.343 17 HE1 MET 3 3HE MET 3 13.983 3.261 12.494 18 HE2 MET 3 1HE MET 3 13.377 3.587 10.869 19 HE3 MET 3 2HE MET 3 14.777 2.538 11.097 20 H ALA 4 H ALA 4 8.060 -0.216 8.456 21 HA ALA 4 HA ALA 4 7.361 -2.790 9.491 22 HB1 ALA 4 1HB ALA 4 6.036 -1.227 7.283 23 HB2 ALA 4 2HB ALA 4 5.668 -1.082 9.001 24 HB3 ALA 4 3HB ALA 4 5.356 -2.598 8.158 25 H PHE 5 H PHE 5 9.395 -3.807 8.697 26 HA PHE 5 HA PHE 5 8.926 -4.878 5.988 27 HB2 PHE 5 2HB PHE 5 11.486 -4.674 7.593 28 HB3 PHE 5 1HB PHE 5 11.343 -5.619 6.115 29 HD1 PHE 5 2HD PHE 5 11.062 -4.527 3.961 30 HD2 PHE 5 1HD PHE 5 11.551 -2.271 7.535 31 HE1 PHE 5 2HE PHE 5 11.564 -2.528 2.623 32 HE2 PHE 5 1HE PHE 5 12.052 -0.262 6.201 33 HZ PHE 5 HZ PHE 5 12.060 -0.390 3.743 34 H ASP 6 H ASP 6 7.288 -5.820 7.680 35 HA ASP 6 HA ASP 6 7.526 -8.566 7.732 36 HB2 ASP 6 2HB ASP 6 9.283 -8.167 9.479 37 HB3 ASP 6 1HB ASP 6 8.069 -7.367 10.471 38 H GLY 7 H GLY 7 5.394 -8.683 7.238 39 HA2 GLY 7 2HA GLY 7 3.537 -6.815 8.464 40 HA3 GLY 7 1HA GLY 7 3.198 -7.926 7.147 41 H GLU 8 H GLU 8 2.974 -10.231 7.703 42 HA GLU 8 HA GLU 8 2.396 -10.849 10.459 43 HB2 GLU 8 2HB GLU 8 0.358 -9.600 9.372 44 HB3 GLU 8 1HB GLU 8 0.050 -11.167 8.631 45 HG2 GLU 8 2HG GLU 8 -0.278 -12.208 10.701 46 HG3 GLU 8 1HG GLU 8 0.456 -10.871 11.584 47 H ASP 9 H ASP 9 0.744 -13.070 9.992 48 HA ASP 9 HA ASP 9 2.782 -14.968 9.552 49 HB2 ASP 9 2HB ASP 9 -0.200 -15.379 9.797 50 HB3 ASP 9 1HB ASP 9 1.016 -16.646 9.917 51 H GLU 10 H GLU 10 0.972 -13.359 7.239 52 HA GLU 10 HA GLU 10 1.108 -15.658 5.416 53 HB2 GLU 10 2HB GLU 10 -0.584 -13.165 5.197 54 HB3 GLU 10 1HB GLU 10 -0.508 -14.441 3.989 55 HG2 GLU 10 2HG GLU 10 -1.262 -16.017 5.824 56 HG3 GLU 10 1HG GLU 10 -1.622 -14.572 6.769 57 H VAL 11 H VAL 11 3.341 -15.348 5.040 58 HA VAL 11 HA VAL 11 4.079 -12.917 3.605 59 HB VAL 11 HB VAL 11 5.811 -15.306 4.284 60 HG11 VAL 11 1HG1 VAL 11 6.546 -12.525 3.364 61 HG12 VAL 11 2HG1 VAL 11 6.658 -13.997 2.399 62 HG13 VAL 11 3HG1 VAL 11 7.684 -13.793 3.820 63 HG21 VAL 11 3HG2 VAL 11 6.710 -13.925 6.093 64 HG22 VAL 11 1HG2 VAL 11 4.985 -14.218 6.308 65 HG23 VAL 11 2HG2 VAL 11 5.546 -12.658 5.706 66 H THR 12 H THR 12 2.847 -13.170 1.759 67 HA THR 12 HA THR 12 3.612 -15.409 0.016 68 HB THR 12 HB THR 12 1.240 -15.476 0.578 69 HG1 THR 12 1HG THR 12 1.224 -16.215 -1.401 70 HG21 THR 12 3HG2 THR 12 1.059 -12.726 -0.654 71 HG22 THR 12 1HG2 THR 12 0.865 -13.109 1.056 72 HG23 THR 12 2HG2 THR 12 -0.302 -13.712 -0.119 73 H GLY 13 H GLY 13 4.586 -14.951 -1.868 74 HA2 GLY 13 2HA GLY 13 5.389 -13.702 -3.642 75 HA3 GLY 13 1HA GLY 13 4.296 -12.407 -3.169 76 HA PRO 14 HA PRO 14 8.468 -10.810 -2.089 77 HB2 PRO 14 2HB PRO 14 7.960 -8.268 -2.849 78 HB3 PRO 14 1HB PRO 14 8.452 -9.516 -4.000 79 HG2 PRO 14 2HG PRO 14 5.709 -8.472 -3.398 80 HG3 PRO 14 1HG PRO 14 6.455 -8.813 -4.971 81 HD2 PRO 14 2HD PRO 14 4.731 -10.521 -3.758 82 HD3 PRO 14 1HD PRO 14 6.049 -11.073 -4.814 83 H ASP 15 H ASP 15 8.036 -7.930 -1.398 84 HA ASP 15 HA ASP 15 7.428 -8.323 1.363 85 HB2 ASP 15 2HB ASP 15 8.306 -5.977 -0.270 86 HB3 ASP 15 1HB ASP 15 7.711 -5.727 1.370 87 H ALA 16 H ALA 16 5.295 -8.358 -0.933 88 HA ALA 16 HA ALA 16 3.349 -6.457 -0.535 89 HB1 ALA 16 1HB ALA 16 1.737 -8.126 -1.263 90 HB2 ALA 16 2HB ALA 16 2.897 -9.412 -0.932 91 HB3 ALA 16 3HB ALA 16 3.219 -8.242 -2.211 92 H ASP 17 H ASP 17 4.187 -9.184 1.479 93 HA ASP 17 HA ASP 17 2.056 -9.319 3.242 94 HB2 ASP 17 2HB ASP 17 3.576 -11.029 3.526 95 HB3 ASP 17 1HB ASP 17 4.965 -9.961 3.378 96 H ARG 18 H ARG 18 4.801 -7.096 3.264 97 HA ARG 18 HA ARG 18 4.533 -6.311 5.967 98 HB2 ARG 18 2HB ARG 18 5.686 -4.400 4.002 99 HB3 ARG 18 1HB ARG 18 6.254 -4.837 5.603 100 HG2 ARG 18 2HG ARG 18 6.570 -6.426 3.069 101 HG3 ARG 18 1HG ARG 18 7.829 -5.586 3.970 102 HD2 ARG 18 2HD ARG 18 7.280 -7.118 5.906 103 HD3 ARG 18 1HD ARG 18 6.300 -8.048 4.772 104 HE ARG 18 HE ARG 18 8.946 -7.614 3.785 105 HH11 ARG 18 1HH1 ARG 18 6.939 -9.700 5.777 106 HH12 ARG 18 2HH1 ARG 18 8.146 -10.952 5.894 107 HH21 ARG 18 1HH2 ARG 18 10.476 -9.271 3.865 108 HH22 ARG 18 2HH2 ARG 18 10.169 -10.718 4.781 109 H ALA 19 H ALA 19 3.686 -4.598 2.977 110 HA ALA 19 HA ALA 19 2.553 -2.392 4.386 111 HB1 ALA 19 1HB ALA 19 2.379 -3.105 1.464 112 HB2 ALA 19 2HB ALA 19 3.634 -2.121 2.216 113 HB3 ALA 19 3HB ALA 19 1.968 -1.546 2.178 114 H ARG 20 H ARG 20 1.272 -5.376 3.111 115 HA ARG 20 HA ARG 20 -1.415 -4.533 2.802 116 HB2 ARG 20 2HB ARG 20 -0.379 -6.609 1.823 117 HB3 ARG 20 1HB ARG 20 -0.485 -7.335 3.423 118 HG2 ARG 20 2HG ARG 20 -2.958 -6.865 3.349 119 HG3 ARG 20 1HG ARG 20 -2.741 -6.437 1.651 120 HD2 ARG 20 2HD ARG 20 -3.417 -8.675 1.633 121 HD3 ARG 20 1HD ARG 20 -1.673 -8.727 1.381 122 HE ARG 20 HE ARG 20 -1.975 -8.970 4.081 123 HH11 ARG 20 1HH1 ARG 20 -3.065 -10.724 1.266 124 HH12 ARG 20 2HH1 ARG 20 -3.311 -12.221 2.126 125 HH21 ARG 20 1HH2 ARG 20 -2.286 -10.937 5.231 126 HH22 ARG 20 2HH2 ARG 20 -2.881 -12.339 4.396 127 H ALA 21 H ALA 21 0.412 -5.814 5.519 128 HA ALA 21 HA ALA 21 -1.793 -6.303 7.224 129 HB1 ALA 21 1HB ALA 21 1.068 -5.691 7.957 130 HB2 ALA 21 2HB ALA 21 0.407 -7.289 7.615 131 HB3 ALA 21 3HB ALA 21 -0.149 -6.388 9.023 132 H ALA 22 H ALA 22 0.239 -3.485 6.669 133 HA ALA 22 HA ALA 22 -0.816 -1.956 8.829 134 HB1 ALA 22 1HB ALA 22 1.414 -1.573 7.833 135 HB2 ALA 22 2HB ALA 22 0.428 -0.114 7.909 136 HB3 ALA 22 3HB ALA 22 0.627 -0.966 6.377 137 H ALA 23 H ALA 23 -1.735 -2.474 5.520 138 HA ALA 23 HA ALA 23 -3.263 -0.168 5.062 139 HB1 ALA 23 1HB ALA 23 -3.693 -2.915 3.903 140 HB2 ALA 23 2HB ALA 23 -2.531 -1.730 3.305 141 HB3 ALA 23 3HB ALA 23 -4.260 -1.387 3.228 142 H VAL 24 H VAL 24 -3.981 -3.073 6.833 143 HA VAL 24 HA VAL 24 -6.779 -3.021 6.802 144 HB VAL 24 HB VAL 24 -4.984 -3.932 9.058 145 HG11 VAL 24 1HG1 VAL 24 -7.837 -4.674 8.406 146 HG12 VAL 24 2HG1 VAL 24 -7.311 -3.672 9.758 147 HG13 VAL 24 3HG1 VAL 24 -6.858 -5.375 9.694 148 HG21 VAL 24 3HG2 VAL 24 -4.415 -5.007 6.939 149 HG22 VAL 24 1HG2 VAL 24 -6.100 -5.480 6.722 150 HG23 VAL 24 2HG2 VAL 24 -5.160 -6.152 8.054 151 H GLN 25 H GLN 25 -4.470 -1.288 8.823 152 HA GLN 25 HA GLN 25 -6.524 -0.204 10.531 153 HB2 GLN 25 2HB GLN 25 -3.549 0.242 10.350 154 HB3 GLN 25 1HB GLN 25 -4.570 1.201 11.415 155 HG2 GLN 25 2HG GLN 25 -3.669 -0.508 12.741 156 HG3 GLN 25 1HG GLN 25 -5.341 -0.967 12.436 157 HE21 GLN 25 1HE2 GLN 25 -2.711 -1.279 10.130 158 HE22 GLN 25 2HE2 GLN 25 -2.680 -3.011 10.111 159 H ALA 26 H ALA 26 -5.339 0.558 7.487 160 HA ALA 26 HA ALA 26 -5.681 3.429 7.739 161 HB1 ALA 26 1HB ALA 26 -5.025 1.756 5.316 162 HB2 ALA 26 2HB ALA 26 -3.854 2.554 6.368 163 HB3 ALA 26 3HB ALA 26 -4.977 3.517 5.406 164 H VAL 27 H VAL 27 -7.723 0.833 7.273 165 HA VAL 27 HA VAL 27 -9.769 2.609 6.214 166 HB VAL 27 HB VAL 27 -8.915 1.520 4.216 167 HG11 VAL 27 1HG1 VAL 27 -9.110 -0.909 3.896 168 HG12 VAL 27 2HG1 VAL 27 -9.579 -1.083 5.588 169 HG13 VAL 27 3HG1 VAL 27 -7.970 -0.491 5.175 170 HG21 VAL 27 3HG2 VAL 27 -11.283 2.032 4.312 171 HG22 VAL 27 1HG2 VAL 27 -11.615 0.465 5.046 172 HG23 VAL 27 2HG2 VAL 27 -11.017 0.553 3.389 173 HA PRO 28 HA PRO 28 -11.968 0.412 9.425 174 HB2 PRO 28 2HB PRO 28 -14.250 1.864 9.272 175 HB3 PRO 28 1HB PRO 28 -12.792 2.461 10.071 176 HG2 PRO 28 2HG PRO 28 -13.866 3.096 7.358 177 HG3 PRO 28 1HG PRO 28 -13.086 4.166 8.536 178 HD2 PRO 28 2HD PRO 28 -11.813 3.100 6.352 179 HD3 PRO 28 1HD PRO 28 -10.986 3.598 7.839 180 H GLY 29 H GLY 29 -12.402 -1.601 8.657 181 HA2 GLY 29 2HA GLY 29 -13.733 -3.300 7.861 182 HA3 GLY 29 1HA GLY 29 -15.012 -2.112 7.650 183 H GLY 30 H GLY 30 -11.809 -2.152 6.148 184 HA2 GLY 30 2HA GLY 30 -13.167 -2.046 3.546 185 HA3 GLY 30 1HA GLY 30 -11.541 -1.468 3.870 186 H THR 31 H THR 31 -10.601 -2.629 2.219 187 HA THR 31 HA THR 31 -10.330 -5.501 2.749 188 HB THR 31 HB THR 31 -10.796 -4.313 0.002 189 HG1 THR 31 1HG THR 31 -12.469 -5.440 1.918 190 HG21 THR 31 3HG2 THR 31 -9.288 -6.252 -0.022 191 HG22 THR 31 1HG2 THR 31 -10.843 -6.635 -0.762 192 HG23 THR 31 2HG2 THR 31 -10.482 -7.189 0.873 193 H ALA 32 H ALA 32 -8.274 -6.181 2.687 194 HA ALA 32 HA ALA 32 -6.246 -4.288 1.698 195 HB1 ALA 32 1HB ALA 32 -6.064 -4.824 4.068 196 HB2 ALA 32 2HB ALA 32 -4.675 -5.450 3.178 197 HB3 ALA 32 3HB ALA 32 -5.965 -6.543 3.684 198 H GLY 33 H GLY 33 -5.297 -4.769 -0.160 199 HA2 GLY 33 2HA GLY 33 -5.286 -7.586 -1.041 200 HA3 GLY 33 1HA GLY 33 -5.251 -6.195 -2.120 201 H GLU 34 H GLU 34 -3.397 -8.307 -2.270 202 HA GLU 34 HA GLU 34 -0.974 -7.770 -0.943 203 HB2 GLU 34 2HB GLU 34 -1.626 -9.207 -3.504 204 HB3 GLU 34 1HB GLU 34 0.038 -8.980 -2.990 205 HG2 GLU 34 2HG GLU 34 -0.659 -11.143 -2.300 206 HG3 GLU 34 1HG GLU 34 -0.522 -10.135 -0.863 207 H VAL 35 H VAL 35 0.560 -6.298 -1.254 208 HA VAL 35 HA VAL 35 0.015 -4.230 -3.218 209 HB VAL 35 HB VAL 35 1.588 -2.845 -2.004 210 HG11 VAL 35 1HG1 VAL 35 -0.268 -4.339 -0.156 211 HG12 VAL 35 2HG1 VAL 35 -0.669 -2.932 -1.140 212 HG13 VAL 35 3HG1 VAL 35 0.476 -2.779 0.192 213 HG21 VAL 35 3HG2 VAL 35 2.746 -3.651 -0.000 214 HG22 VAL 35 1HG2 VAL 35 3.263 -4.522 -1.444 215 HG23 VAL 35 2HG2 VAL 35 2.145 -5.279 -0.309 216 H GLU 36 H GLU 36 1.735 -3.312 -4.512 217 HA GLU 36 HA GLU 36 3.552 -5.440 -5.426 218 HB2 GLU 36 2HB GLU 36 3.353 -4.463 -7.660 219 HB3 GLU 36 1HB GLU 36 1.773 -4.900 -7.027 220 HG2 GLU 36 2HG GLU 36 1.384 -2.556 -6.417 221 HG3 GLU 36 1HG GLU 36 2.954 -2.131 -7.093 222 H THR 37 H THR 37 5.633 -4.866 -6.128 223 HA THR 37 HA THR 37 6.719 -2.401 -5.059 224 HB THR 37 HB THR 37 8.198 -4.386 -6.790 225 HG1 THR 37 1HG THR 37 7.663 -5.750 -5.229 226 HG21 THR 37 3HG2 THR 37 9.078 -2.509 -4.592 227 HG22 THR 37 1HG2 THR 37 9.349 -2.285 -6.319 228 HG23 THR 37 2HG2 THR 37 10.130 -3.619 -5.468 229 H GLU 38 H GLU 38 6.640 -0.569 -6.210 230 HA GLU 38 HA GLU 38 5.645 -0.655 -8.894 231 HB2 GLU 38 2HB GLU 38 6.543 1.701 -7.235 232 HB3 GLU 38 1HB GLU 38 5.711 1.805 -8.779 233 HG2 GLU 38 2HG GLU 38 3.882 0.401 -7.624 234 HG3 GLU 38 1HG GLU 38 4.664 0.920 -6.129 235 H THR 39 H THR 39 6.726 -0.610 -10.722 236 HA THR 39 HA THR 39 9.572 -0.028 -10.753 237 HB THR 39 HB THR 39 9.295 -0.510 -13.242 238 HG1 THR 39 1HG THR 39 7.078 -0.195 -13.489 239 HG21 THR 39 3HG2 THR 39 10.140 -2.187 -11.679 240 HG22 THR 39 1HG2 THR 39 9.125 -2.934 -12.915 241 HG23 THR 39 2HG2 THR 39 8.487 -2.668 -11.293 242 H GLY 40 H GLY 40 10.273 2.021 -11.029 243 HA2 GLY 40 2HA GLY 40 9.087 3.808 -12.896 244 HA3 GLY 40 1HA GLY 40 8.563 4.190 -11.266 245 H GLU 41 H GLU 41 9.672 5.776 -10.394 246 HA GLU 41 HA GLU 41 12.538 6.027 -10.828 247 HB2 GLU 41 2HB GLU 41 11.567 7.175 -12.750 248 HB3 GLU 41 1HB GLU 41 10.522 8.113 -11.696 249 HG2 GLU 41 2HG GLU 41 12.343 9.471 -12.467 250 HG3 GLU 41 1HG GLU 41 12.502 9.199 -10.733 251 H GLY 42 H GLY 42 13.523 7.601 -9.404 252 HA2 GLY 42 2HA GLY 42 13.626 9.051 -7.602 253 HA3 GLY 42 1HA GLY 42 11.875 9.014 -7.505 254 H ALA 43 H ALA 43 11.053 8.084 -5.775 255 HA ALA 43 HA ALA 43 12.658 6.067 -4.360 256 HB1 ALA 43 1HB ALA 43 11.147 8.349 -3.092 257 HB2 ALA 43 2HB ALA 43 12.902 8.205 -3.218 258 HB3 ALA 43 3HB ALA 43 11.992 7.064 -2.227 259 H ALA 44 H ALA 44 10.019 6.356 -6.091 260 HA ALA 44 HA ALA 44 7.956 5.358 -4.392 261 HB1 ALA 44 1HB ALA 44 6.740 4.916 -6.468 262 HB2 ALA 44 2HB ALA 44 8.204 5.220 -7.400 263 HB3 ALA 44 3HB ALA 44 7.452 6.529 -6.487 264 H ALA 45 H ALA 45 8.188 3.477 -3.387 265 HA ALA 45 HA ALA 45 9.458 1.265 -4.853 266 HB1 ALA 45 1HB ALA 45 9.363 1.710 -1.874 267 HB2 ALA 45 2HB ALA 45 10.748 2.021 -2.921 268 HB3 ALA 45 3HB ALA 45 10.161 0.372 -2.702 269 H TYR 46 H TYR 46 7.009 1.905 -2.334 270 HA TYR 46 HA TYR 46 5.741 -0.636 -3.123 271 HB2 TYR 46 2HB TYR 46 5.753 0.714 -0.418 272 HB3 TYR 46 1HB TYR 46 4.854 -0.747 -0.810 273 HD1 TYR 46 1HD TYR 46 6.193 -2.790 -1.569 274 HD2 TYR 46 2HD TYR 46 7.969 0.585 0.318 275 HE1 TYR 46 1HE TYR 46 8.142 -4.160 -0.964 276 HE2 TYR 46 2HE TYR 46 9.923 -0.777 0.927 277 HH TYR 46 HH TYR 46 10.430 -3.198 1.296 278 H GLY 47 H GLY 47 3.699 -0.599 -3.798 279 HA2 GLY 47 2HA GLY 47 2.147 1.874 -3.342 280 HA3 GLY 47 1HA GLY 47 1.916 0.790 -4.710 281 H VAL 48 H VAL 48 0.744 1.666 -1.735 282 HA VAL 48 HA VAL 48 -0.238 -0.994 -1.020 283 HB VAL 48 HB VAL 48 -0.610 1.602 0.482 284 HG11 VAL 48 1HG1 VAL 48 -0.891 -1.263 1.375 285 HG12 VAL 48 2HG1 VAL 48 -2.215 -0.141 1.064 286 HG13 VAL 48 3HG1 VAL 48 -1.093 0.166 2.391 287 HG21 VAL 48 3HG2 VAL 48 1.757 1.143 0.269 288 HG22 VAL 48 1HG2 VAL 48 1.511 -0.510 0.825 289 HG23 VAL 48 2HG2 VAL 48 1.234 0.839 1.924 290 H LEU 49 H LEU 49 -2.060 -1.597 -2.009 291 HA LEU 49 HA LEU 49 -3.965 0.399 -2.890 292 HB2 LEU 49 2HB LEU 49 -5.210 -1.612 -3.799 293 HB3 LEU 49 1HB LEU 49 -3.644 -1.271 -4.504 294 HG LEU 49 HG LEU 49 -3.831 -3.273 -2.287 295 HD11 LEU 49 1HD1 LEU 49 -5.605 -3.917 -3.826 296 HD12 LEU 49 2HD1 LEU 49 -4.245 -5.033 -3.940 297 HD13 LEU 49 3HD1 LEU 49 -4.484 -3.805 -5.184 298 HD21 LEU 49 3HD2 LEU 49 -1.636 -2.597 -3.101 299 HD22 LEU 49 1HD2 LEU 49 -2.105 -3.011 -4.750 300 HD23 LEU 49 2HD2 LEU 49 -1.968 -4.276 -3.528 301 H VAL 50 H VAL 50 -5.139 1.223 -1.302 302 HA VAL 50 HA VAL 50 -6.305 -0.556 0.710 303 HB VAL 50 HB VAL 50 -6.327 2.466 0.559 304 HG11 VAL 50 1HG1 VAL 50 -7.093 2.368 2.884 305 HG12 VAL 50 2HG1 VAL 50 -7.162 0.610 2.782 306 HG13 VAL 50 3HG1 VAL 50 -8.235 1.593 1.789 307 HG21 VAL 50 3HG2 VAL 50 -4.703 2.334 2.422 308 HG22 VAL 50 1HG2 VAL 50 -4.080 1.664 0.913 309 HG23 VAL 50 2HG2 VAL 50 -4.632 0.587 2.196 310 H THR 51 H THR 51 -8.168 -1.451 0.125 311 HA THR 51 HA THR 51 -9.950 -0.053 -1.707 312 HB THR 51 HB THR 51 -10.307 -2.807 -0.514 313 HG1 THR 51 1HG THR 51 -8.383 -2.002 -2.125 314 HG21 THR 51 3HG2 THR 51 -11.683 -3.184 -2.518 315 HG22 THR 51 1HG2 THR 51 -11.404 -1.515 -3.017 316 HG23 THR 51 2HG2 THR 51 -12.310 -1.854 -1.543 317 H ARG 52 H ARG 52 -11.453 1.256 -0.917 318 HA ARG 52 HA ARG 52 -12.431 0.837 1.814 319 HB2 ARG 52 2HB ARG 52 -12.880 3.156 -0.075 320 HB3 ARG 52 1HB ARG 52 -13.432 3.074 1.589 321 HG2 ARG 52 2HG ARG 52 -11.083 2.998 2.336 322 HG3 ARG 52 1HG ARG 52 -10.570 3.167 0.653 323 HD2 ARG 52 2HD ARG 52 -11.789 5.287 0.506 324 HD3 ARG 52 1HD ARG 52 -12.271 5.124 2.192 325 HE ARG 52 HE ARG 52 -9.435 5.043 1.880 326 HH11 ARG 52 1HH1 ARG 52 -12.203 7.182 2.019 327 HH12 ARG 52 2HH1 ARG 52 -11.283 8.550 2.572 328 HH21 ARG 52 1HH2 ARG 52 -8.205 6.871 2.558 329 HH22 ARG 52 2HH2 ARG 52 -9.007 8.384 2.843 330 HA PRO 53 HA PRO 53 -16.211 -0.980 0.269 331 HB2 PRO 53 2HB PRO 53 -17.749 -0.535 2.484 332 HB3 PRO 53 1HB PRO 53 -16.562 -1.838 2.372 333 HG2 PRO 53 2HG PRO 53 -16.301 0.854 3.656 334 HG3 PRO 53 1HG PRO 53 -15.772 -0.728 4.258 335 HD2 PRO 53 2HD PRO 53 -14.052 1.008 3.137 336 HD3 PRO 53 1HD PRO 53 -13.886 -0.747 2.919 337 H ASP 54 H ASP 54 -15.693 2.231 1.144 338 HA ASP 54 HA ASP 54 -18.192 3.420 0.650 339 HB2 ASP 54 2HB ASP 54 -16.454 4.683 1.722 340 HB3 ASP 54 1HB ASP 54 -15.363 4.444 0.364 341 H GLY 55 H GLY 55 -15.745 2.132 -1.457 342 HA2 GLY 55 2HA GLY 55 -16.491 1.436 -3.670 343 HA3 GLY 55 1HA GLY 55 -17.406 2.934 -3.761 344 H THR 56 H THR 56 -14.119 2.668 -2.563 345 HA THR 56 HA THR 56 -13.084 3.840 -5.010 346 HB THR 56 HB THR 56 -13.783 5.798 -3.744 347 HG1 THR 56 1HG THR 56 -12.015 6.495 -4.672 348 HG21 THR 56 3HG2 THR 56 -11.988 4.777 -1.543 349 HG22 THR 56 1HG2 THR 56 -13.750 4.838 -1.495 350 HG23 THR 56 2HG2 THR 56 -12.818 6.333 -1.564 351 H ARG 57 H ARG 57 -10.915 3.523 -5.318 352 HA ARG 57 HA ARG 57 -9.549 1.815 -3.349 353 HB2 ARG 57 2HB ARG 57 -9.788 0.702 -5.477 354 HB3 ARG 57 1HB ARG 57 -9.207 2.115 -6.340 355 HG2 ARG 57 2HG ARG 57 -6.993 1.794 -5.237 356 HG3 ARG 57 1HG ARG 57 -7.610 0.278 -4.573 357 HD2 ARG 57 2HD ARG 57 -7.913 -0.645 -6.748 358 HD3 ARG 57 1HD ARG 57 -7.605 0.912 -7.517 359 HE ARG 57 HE ARG 57 -5.651 -0.981 -6.541 360 HH11 ARG 57 1HH1 ARG 57 -6.270 2.340 -7.488 361 HH12 ARG 57 2HH1 ARG 57 -4.600 2.693 -7.849 362 HH21 ARG 57 1HH2 ARG 57 -3.441 -0.519 -7.049 363 HH22 ARG 57 2HH2 ARG 57 -3.016 1.065 -7.617 364 H VAL 58 H VAL 58 -8.034 2.811 -2.203 365 HA VAL 58 HA VAL 58 -6.780 5.227 -3.338 366 HB VAL 58 HB VAL 58 -7.083 4.500 -0.419 367 HG11 VAL 58 1HG1 VAL 58 -6.378 6.812 -0.015 368 HG12 VAL 58 2HG1 VAL 58 -6.136 7.036 -1.747 369 HG13 VAL 58 3HG1 VAL 58 -5.139 5.884 -0.858 370 HG21 VAL 58 3HG2 VAL 58 -8.632 6.505 -2.055 371 HG22 VAL 58 1HG2 VAL 58 -8.763 6.266 -0.312 372 HG23 VAL 58 2HG2 VAL 58 -9.253 4.982 -1.416 373 H GLU 59 H GLU 59 -4.739 4.881 -3.972 374 HA GLU 59 HA GLU 59 -3.283 2.712 -2.651 375 HB2 GLU 59 2HB GLU 59 -1.750 2.791 -4.614 376 HB3 GLU 59 1HB GLU 59 -3.402 2.347 -5.004 377 HG2 GLU 59 2HG GLU 59 -3.815 4.626 -5.803 378 HG3 GLU 59 1HG GLU 59 -2.140 5.043 -5.433 379 H VAL 60 H VAL 60 -2.011 3.266 -1.105 380 HA VAL 60 HA VAL 60 -0.896 5.951 -0.963 381 HB VAL 60 HB VAL 60 -0.530 3.694 1.014 382 HG11 VAL 60 1HG1 VAL 60 -0.308 6.684 1.314 383 HG12 VAL 60 2HG1 VAL 60 1.037 5.549 1.237 384 HG13 VAL 60 3HG1 VAL 60 -0.081 5.499 2.599 385 HG21 VAL 60 3HG2 VAL 60 -2.912 4.072 0.721 386 HG22 VAL 60 1HG2 VAL 60 -2.683 5.804 0.955 387 HG23 VAL 60 2HG2 VAL 60 -2.385 4.688 2.287 388 H HIS 61 H HIS 61 1.038 6.370 -1.790 389 HA HIS 61 HA HIS 61 2.766 4.137 -2.547 390 HB2 HIS 61 2HB HIS 61 2.862 7.066 -3.273 391 HB3 HIS 61 1HB HIS 61 3.978 5.849 -3.884 392 HD1 HIS 61 1HD HIS 61 1.021 7.561 -4.881 393 HD2 HIS 61 2HD HIS 61 2.347 3.636 -5.194 394 HE1 HIS 61 1HE HIS 61 -0.319 6.540 -6.737 395 HE2 HIS 61 2HE HIS 61 0.337 4.114 -6.753 396 H LEU 62 H LEU 62 4.515 3.621 -1.458 397 HA LEU 62 HA LEU 62 5.449 5.479 0.636 398 HB2 LEU 62 2HB LEU 62 4.861 2.579 0.628 399 HB3 LEU 62 1HB LEU 62 6.278 3.075 1.528 400 HG LEU 62 HG LEU 62 5.038 4.191 3.137 401 HD11 LEU 62 1HD1 LEU 62 2.769 4.995 2.866 402 HD12 LEU 62 2HD1 LEU 62 2.691 4.299 1.247 403 HD13 LEU 62 3HD1 LEU 62 3.791 5.637 1.580 404 HD21 LEU 62 3HD2 LEU 62 4.572 1.802 3.210 405 HD22 LEU 62 1HD2 LEU 62 3.194 2.033 2.134 406 HD23 LEU 62 2HD2 LEU 62 3.177 2.736 3.752 407 H ASP 63 H ASP 63 7.667 5.510 1.130 408 HA ASP 63 HA ASP 63 9.356 4.839 -1.158 409 HB2 ASP 63 2HB ASP 63 10.931 6.400 -0.326 410 HB3 ASP 63 1HB ASP 63 9.357 7.145 -0.064 411 H ARG 64 H ARG 64 11.813 4.696 0.183 412 HA ARG 64 HA ARG 64 11.842 1.906 0.755 413 HB2 ARG 64 2HB ARG 64 14.116 3.811 1.252 414 HB3 ARG 64 1HB ARG 64 14.194 2.105 0.829 415 HG2 ARG 64 2HG ARG 64 13.327 2.614 -1.394 416 HG3 ARG 64 1HG ARG 64 13.253 4.325 -0.975 417 HD2 ARG 64 2HD ARG 64 15.747 4.121 -0.469 418 HD3 ARG 64 1HD ARG 64 15.670 2.579 -1.323 419 HE ARG 64 HE ARG 64 15.086 5.218 -2.513 420 HH11 ARG 64 1HH1 ARG 64 16.070 1.861 -2.822 421 HH12 ARG 64 2HH1 ARG 64 16.380 1.987 -4.532 422 HH21 ARG 64 1HH2 ARG 64 15.496 5.367 -4.754 423 HH22 ARG 64 2HH2 ARG 64 16.055 3.972 -5.619 424 H ASP 65 H ASP 65 11.681 4.784 2.690 425 HA ASP 65 HA ASP 65 12.442 3.395 5.138 426 HB2 ASP 65 2HB ASP 65 12.782 5.951 4.425 427 HB3 ASP 65 1HB ASP 65 11.204 6.106 5.186 428 H PHE 66 H PHE 66 9.818 3.420 3.246 429 HA PHE 66 HA PHE 66 7.669 2.760 3.470 430 HB2 PHE 66 2HB PHE 66 8.977 1.595 5.683 431 HB3 PHE 66 1HB PHE 66 7.478 2.277 6.306 432 HD1 PHE 66 1HD PHE 66 8.917 -0.093 3.882 433 HD2 PHE 66 2HD PHE 66 5.381 1.310 5.786 434 HE1 PHE 66 1HE PHE 66 7.686 -2.037 3.016 435 HE2 PHE 66 2HE PHE 66 4.139 -0.631 4.919 436 HZ PHE 66 HZ PHE 66 5.295 -2.306 3.530 437 H ARG 67 H ARG 67 8.490 5.515 3.829 438 HA ARG 67 HA ARG 67 6.355 6.504 5.575 439 HB2 ARG 67 2HB ARG 67 8.888 7.668 4.559 440 HB3 ARG 67 1HB ARG 67 7.528 8.772 4.720 441 HG2 ARG 67 2HG ARG 67 8.920 8.785 6.714 442 HG3 ARG 67 1HG ARG 67 7.303 8.176 7.069 443 HD2 ARG 67 2HD ARG 67 8.359 5.848 6.668 444 HD3 ARG 67 1HD ARG 67 9.893 6.684 6.897 445 HE ARG 67 HE ARG 67 8.725 7.455 9.088 446 HH11 ARG 67 1HH1 ARG 67 8.503 4.321 7.558 447 HH12 ARG 67 2HH1 ARG 67 8.175 3.469 9.041 448 HH21 ARG 67 1HH2 ARG 67 8.307 6.354 11.044 449 HH22 ARG 67 2HH2 ARG 67 8.073 4.637 11.028 450 H VAL 68 H VAL 68 4.903 8.138 4.749 451 HA VAL 68 HA VAL 68 3.840 7.299 2.242 452 HB VAL 68 HB VAL 68 2.337 7.956 4.035 453 HG11 VAL 68 1HG1 VAL 68 3.647 9.670 5.127 454 HG12 VAL 68 2HG1 VAL 68 2.066 10.317 4.689 455 HG13 VAL 68 3HG1 VAL 68 3.485 10.728 3.726 456 HG21 VAL 68 3HG2 VAL 68 2.165 9.813 1.667 457 HG22 VAL 68 1HG2 VAL 68 0.846 9.444 2.779 458 HG23 VAL 68 2HG2 VAL 68 1.525 8.173 1.763 459 H LEU 69 H LEU 69 4.536 7.906 0.337 460 HA LEU 69 HA LEU 69 5.825 10.470 -0.083 461 HB2 LEU 69 2HB LEU 69 5.031 8.291 -2.024 462 HB3 LEU 69 1HB LEU 69 5.933 9.729 -2.456 463 HG LEU 69 HG LEU 69 6.893 7.600 -0.544 464 HD11 LEU 69 1HD1 LEU 69 8.419 6.966 -2.341 465 HD12 LEU 69 2HD1 LEU 69 7.660 8.149 -3.408 466 HD13 LEU 69 3HD1 LEU 69 6.735 6.763 -2.827 467 HD21 LEU 69 3HD2 LEU 69 9.037 8.734 -0.711 468 HD22 LEU 69 1HD2 LEU 69 7.802 9.828 -0.086 469 HD23 LEU 69 2HD2 LEU 69 8.326 9.955 -1.766 470 H ASP 70 H ASP 70 2.905 8.776 -1.176 471 HA ASP 70 HA ASP 70 1.436 11.262 -1.238 472 HB2 ASP 70 2HB ASP 70 2.674 11.015 -3.485 473 HB3 ASP 70 1HB ASP 70 1.571 9.681 -3.805 474 H THR 71 H THR 71 -0.874 10.824 -1.904 475 HA THR 71 HA THR 71 -1.780 8.084 -1.532 476 HB THR 71 HB THR 71 -2.732 10.283 0.323 477 HG1 THR 71 1HG THR 71 -0.629 8.508 0.506 478 HG21 THR 71 3HG2 THR 71 -3.264 7.309 0.319 479 HG22 THR 71 1HG2 THR 71 -4.405 8.557 -0.181 480 HG23 THR 71 2HG2 THR 71 -3.874 8.470 1.498 481 H GLU 72 H GLU 72 -3.035 7.922 -3.302 482 HA GLU 72 HA GLU 72 -4.999 10.056 -3.766 483 HB2 GLU 72 2HB GLU 72 -4.714 9.672 -6.217 484 HB3 GLU 72 1HB GLU 72 -3.310 10.377 -5.432 485 HG2 GLU 72 2HG GLU 72 -3.311 7.446 -5.597 486 HG3 GLU 72 1HG GLU 72 -3.228 8.293 -7.141 487 HA PRO 73 HA PRO 73 -7.820 6.597 -4.152 488 HB2 PRO 73 2HB PRO 73 -9.873 8.500 -4.852 489 HB3 PRO 73 1HB PRO 73 -9.676 7.615 -3.338 490 HG2 PRO 73 2HG PRO 73 -9.364 10.333 -3.588 491 HG3 PRO 73 1HG PRO 73 -8.604 9.354 -2.322 492 HD2 PRO 73 2HD PRO 73 -7.432 10.405 -4.867 493 HD3 PRO 73 1HD PRO 73 -6.699 10.281 -3.253 494 H ALA 74 H ALA 74 -6.970 5.727 -6.058 495 HA ALA 74 HA ALA 74 -7.429 7.107 -8.576 496 HB1 ALA 74 1HB ALA 74 -5.979 4.522 -8.019 497 HB2 ALA 74 2HB ALA 74 -5.233 6.115 -8.141 498 HB3 ALA 74 3HB ALA 74 -6.003 5.393 -9.554 499 H ASP 75 H ASP 75 -9.365 6.863 -9.461 500 HA ASP 75 HA ASP 75 -10.811 4.351 -9.179 501 HB2 ASP 75 2HB ASP 75 -12.047 6.473 -8.929 502 HB3 ASP 75 1HB ASP 75 -11.612 6.914 -10.577 503 H GLY 76 H GLY 76 -10.207 2.781 -10.506 504 HA2 GLY 76 2HA GLY 76 -10.702 2.545 -13.122 505 HA3 GLY 76 1HA GLY 76 -9.154 3.379 -13.140 506 H ASP 77 H ASP 77 -9.504 0.864 -14.264 507 HA ASP 77 HA ASP 77 -8.318 -1.010 -12.344 508 HB2 ASP 77 2HB ASP 77 -9.250 -1.512 -15.180 509 HB3 ASP 77 1HB ASP 77 -8.733 -2.735 -14.025 510 H GLY 78 H GLY 78 -7.649 0.804 -15.239 511 HA2 GLY 78 2HA GLY 78 -4.955 1.036 -14.979 512 HA3 GLY 78 1HA GLY 78 -5.146 -0.520 -15.778 513 H GLY 79 H GLY 79 -6.332 2.820 -16.027 514 HA2 GLY 79 2HA GLY 79 -5.387 3.142 -18.678 515 HA3 GLY 79 1HA GLY 79 -7.105 2.771 -18.691 516 H LEU 80 H LEU 80 -4.721 4.972 -17.254 517 HA LEU 80 HA LEU 80 -6.801 7.066 -17.294 518 HB2 LEU 80 2HB LEU 80 -4.479 6.756 -15.385 519 HB3 LEU 80 1HB LEU 80 -5.550 8.142 -15.439 520 HG LEU 80 HG LEU 80 -6.374 5.319 -14.751 521 HD11 LEU 80 1HD1 LEU 80 -6.048 7.763 -13.014 522 HD12 LEU 80 2HD1 LEU 80 -5.010 6.336 -13.011 523 HD13 LEU 80 3HD1 LEU 80 -6.692 6.205 -12.496 524 HD21 LEU 80 3HD2 LEU 80 -7.949 7.891 -14.724 525 HD22 LEU 80 1HD2 LEU 80 -8.517 6.329 -14.134 526 HD23 LEU 80 2HD2 LEU 80 -8.166 6.552 -15.849 527 H GLU 81 H GLU 81 -6.414 8.617 -18.707 528 HA GLU 81 HA GLU 81 -3.693 8.945 -19.744 529 HB2 GLU 81 2HB GLU 81 -6.331 9.912 -20.869 530 HB3 GLU 81 1HB GLU 81 -4.762 10.106 -21.637 531 HG2 GLU 81 2HG GLU 81 -4.546 7.681 -21.813 532 HG3 GLU 81 1HG GLU 81 -6.119 7.489 -21.042 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 10.594 4.831 16.302 2 H2 GLY 1 2HT GLY 1 11.012 3.223 16.635 3 H3 GLY 1 3HT GLY 1 9.417 3.612 16.203 4 HA2 GLY 1 1HA GLY 1 10.151 4.288 14.003 5 HA3 GLY 1 2HA GLY 1 11.799 3.869 14.450 6 H ALA 2 H ALA 2 8.685 2.684 13.509 7 HA ALA 2 HA ALA 2 9.865 0.000 13.210 8 HB1 ALA 2 1HB ALA 2 6.997 0.601 13.922 9 HB2 ALA 2 2HB ALA 2 8.229 0.022 15.044 10 HB3 ALA 2 3HB ALA 2 7.710 -0.997 13.701 11 H MET 3 H MET 3 10.087 -0.453 11.141 12 HA MET 3 HA MET 3 8.401 0.833 9.141 13 HB2 MET 3 2HB MET 3 10.727 -1.066 8.760 14 HB3 MET 3 1HB MET 3 9.932 -0.140 7.498 15 HG2 MET 3 2HG MET 3 11.942 0.979 7.960 16 HG3 MET 3 1HG MET 3 10.671 1.935 8.717 17 HE1 MET 3 3HE MET 3 12.134 -1.467 10.063 18 HE2 MET 3 1HE MET 3 13.471 -0.896 11.063 19 HE3 MET 3 2HE MET 3 13.532 -0.691 9.314 20 H ALA 4 H ALA 4 7.273 -0.432 7.530 21 HA ALA 4 HA ALA 4 6.095 -2.803 8.680 22 HB1 ALA 4 1HB ALA 4 4.686 -1.155 7.548 23 HB2 ALA 4 2HB ALA 4 4.572 -2.740 6.782 24 HB3 ALA 4 3HB ALA 4 5.537 -1.466 6.035 25 H PHE 5 H PHE 5 8.345 -3.779 8.581 26 HA PHE 5 HA PHE 5 8.471 -5.414 6.141 27 HB2 PHE 5 2HB PHE 5 10.824 -4.222 7.624 28 HB3 PHE 5 1HB PHE 5 10.966 -5.494 6.420 29 HD1 PHE 5 2HD PHE 5 10.136 -4.990 4.060 30 HD2 PHE 5 1HD PHE 5 10.812 -1.987 6.995 31 HE1 PHE 5 2HE PHE 5 10.296 -3.296 2.282 32 HE2 PHE 5 1HE PHE 5 10.973 -0.287 5.225 33 HZ PHE 5 HZ PHE 5 10.717 -0.941 2.866 34 H ASP 6 H ASP 6 7.024 -6.370 8.046 35 HA ASP 6 HA ASP 6 8.738 -8.407 9.305 36 HB2 ASP 6 2HB ASP 6 7.762 -6.821 10.982 37 HB3 ASP 6 1HB ASP 6 6.157 -7.318 10.459 38 H GLY 7 H GLY 7 5.322 -7.746 8.543 39 HA2 GLY 7 2HA GLY 7 3.982 -8.865 6.993 40 HA3 GLY 7 1HA GLY 7 5.269 -10.039 6.765 41 H GLU 8 H GLU 8 2.967 -11.202 6.856 42 HA GLU 8 HA GLU 8 2.751 -12.195 9.628 43 HB2 GLU 8 2HB GLU 8 0.798 -10.777 8.712 44 HB3 GLU 8 1HB GLU 8 0.427 -12.180 7.719 45 HG2 GLU 8 2HG GLU 8 0.143 -13.543 9.695 46 HG3 GLU 8 1HG GLU 8 0.615 -12.190 10.722 47 H ASP 9 H ASP 9 1.155 -14.365 9.243 48 HA ASP 9 HA ASP 9 3.065 -16.183 8.125 49 HB2 ASP 9 2HB ASP 9 0.371 -16.666 9.408 50 HB3 ASP 9 1HB ASP 9 1.479 -17.942 8.909 51 H GLU 10 H GLU 10 0.437 -14.516 6.831 52 HA GLU 10 HA GLU 10 -0.187 -16.510 4.835 53 HB2 GLU 10 2HB GLU 10 -1.057 -13.654 5.217 54 HB3 GLU 10 1HB GLU 10 -1.440 -14.548 3.753 55 HG2 GLU 10 2HG GLU 10 -2.492 -16.286 5.270 56 HG3 GLU 10 1HG GLU 10 -2.347 -15.088 6.557 57 H VAL 11 H VAL 11 1.659 -16.954 3.736 58 HA VAL 11 HA VAL 11 3.332 -14.875 2.677 59 HB VAL 11 HB VAL 11 3.307 -17.793 1.892 60 HG11 VAL 11 1HG1 VAL 11 5.637 -17.394 1.273 61 HG12 VAL 11 2HG1 VAL 11 5.471 -15.696 1.723 62 HG13 VAL 11 3HG1 VAL 11 4.546 -16.345 0.368 63 HG21 VAL 11 3HG2 VAL 11 4.881 -16.443 4.086 64 HG22 VAL 11 1HG2 VAL 11 5.052 -18.122 3.571 65 HG23 VAL 11 2HG2 VAL 11 3.550 -17.576 4.315 66 H THR 12 H THR 12 1.912 -13.617 1.479 67 HA THR 12 HA THR 12 0.718 -14.875 -0.893 68 HB THR 12 HB THR 12 -0.812 -13.674 0.661 69 HG1 THR 12 1HG THR 12 -1.701 -12.258 -1.065 70 HG21 THR 12 3HG2 THR 12 -0.761 -11.215 0.731 71 HG22 THR 12 1HG2 THR 12 0.745 -11.226 -0.189 72 HG23 THR 12 2HG2 THR 12 0.696 -11.921 1.431 73 H GLY 13 H GLY 13 3.443 -13.316 -0.039 74 HA2 GLY 13 2HA GLY 13 4.654 -12.936 -2.369 75 HA3 GLY 13 1HA GLY 13 3.620 -11.513 -2.315 76 HA PRO 14 HA PRO 14 7.576 -10.789 0.112 77 HB2 PRO 14 2HB PRO 14 8.437 -8.886 -1.880 78 HB3 PRO 14 1HB PRO 14 9.232 -10.377 -1.373 79 HG2 PRO 14 2HG PRO 14 8.099 -9.996 -3.842 80 HG3 PRO 14 1HG PRO 14 8.336 -11.582 -3.090 81 HD2 PRO 14 2HD PRO 14 5.861 -9.922 -3.296 82 HD3 PRO 14 1HD PRO 14 6.052 -11.685 -3.394 83 H ASP 15 H ASP 15 6.820 -8.041 -1.962 84 HA ASP 15 HA ASP 15 6.725 -6.230 0.228 85 HB2 ASP 15 2HB ASP 15 6.032 -4.584 -1.547 86 HB3 ASP 15 1HB ASP 15 7.528 -5.447 -1.896 87 H ALA 16 H ALA 16 4.320 -7.853 -1.727 88 HA ALA 16 HA ALA 16 2.037 -6.434 -1.105 89 HB1 ALA 16 1HB ALA 16 2.276 -9.418 -1.496 90 HB2 ALA 16 2HB ALA 16 2.119 -8.217 -2.776 91 HB3 ALA 16 3HB ALA 16 0.796 -8.468 -1.638 92 H ASP 17 H ASP 17 3.443 -9.178 0.655 93 HA ASP 17 HA ASP 17 1.429 -9.319 2.632 94 HB2 ASP 17 2HB ASP 17 2.589 -11.287 2.535 95 HB3 ASP 17 1HB ASP 17 4.125 -10.497 2.213 96 H ARG 18 H ARG 18 4.563 -7.696 2.545 97 HA ARG 18 HA ARG 18 4.625 -6.930 5.259 98 HB2 ARG 18 2HB ARG 18 5.950 -5.519 2.931 99 HB3 ARG 18 1HB ARG 18 6.427 -5.436 4.623 100 HG2 ARG 18 2HG ARG 18 6.504 -7.914 2.913 101 HG3 ARG 18 1HG ARG 18 7.890 -6.896 3.306 102 HD2 ARG 18 2HD ARG 18 8.037 -7.685 5.427 103 HD3 ARG 18 1HD ARG 18 6.291 -7.873 5.588 104 HE ARG 18 HE ARG 18 6.428 -9.982 4.544 105 HH11 ARG 18 1HH1 ARG 18 9.580 -8.519 5.045 106 HH12 ARG 18 2HH1 ARG 18 10.444 -10.002 4.818 107 HH21 ARG 18 1HH2 ARG 18 7.573 -11.925 4.224 108 HH22 ARG 18 2HH2 ARG 18 9.310 -11.946 4.345 109 H ALA 19 H ALA 19 3.416 -5.311 2.358 110 HA ALA 19 HA ALA 19 2.788 -2.897 3.799 111 HB1 ALA 19 1HB ALA 19 2.022 -3.693 0.997 112 HB2 ALA 19 2HB ALA 19 3.502 -2.851 1.452 113 HB3 ALA 19 3HB ALA 19 1.938 -2.074 1.692 114 H ARG 20 H ARG 20 1.003 -5.722 2.656 115 HA ARG 20 HA ARG 20 -1.590 -4.656 3.027 116 HB2 ARG 20 2HB ARG 20 -1.026 -6.719 1.714 117 HB3 ARG 20 1HB ARG 20 -0.791 -7.563 3.243 118 HG2 ARG 20 2HG ARG 20 -3.174 -6.911 3.805 119 HG3 ARG 20 1HG ARG 20 -3.333 -6.425 2.116 120 HD2 ARG 20 2HD ARG 20 -3.918 -8.539 1.704 121 HD3 ARG 20 1HD ARG 20 -2.220 -8.950 1.961 122 HE ARG 20 HE ARG 20 -3.585 -8.853 4.438 123 HH11 ARG 20 1HH1 ARG 20 -3.264 -10.861 1.566 124 HH12 ARG 20 2HH1 ARG 20 -3.709 -12.319 2.405 125 HH21 ARG 20 1HH2 ARG 20 -4.204 -10.758 5.507 126 HH22 ARG 20 2HH2 ARG 20 -4.238 -12.268 4.651 127 H ALA 21 H ALA 21 0.731 -6.094 5.198 128 HA ALA 21 HA ALA 21 -0.999 -6.518 7.393 129 HB1 ALA 21 1HB ALA 21 1.033 -6.621 8.739 130 HB2 ALA 21 2HB ALA 21 1.962 -5.946 7.401 131 HB3 ALA 21 3HB ALA 21 1.219 -7.537 7.244 132 H ALA 22 H ALA 22 0.868 -3.739 6.299 133 HA ALA 22 HA ALA 22 0.282 -2.136 8.606 134 HB1 ALA 22 1HB ALA 22 1.348 -0.333 7.396 135 HB2 ALA 22 2HB ALA 22 1.302 -1.271 5.903 136 HB3 ALA 22 3HB ALA 22 2.310 -1.804 7.249 137 H ALA 23 H ALA 23 -1.131 -2.660 5.473 138 HA ALA 23 HA ALA 23 -2.770 -0.455 5.167 139 HB1 ALA 23 1HB ALA 23 -2.380 -2.186 3.465 140 HB2 ALA 23 2HB ALA 23 -4.097 -1.848 3.694 141 HB3 ALA 23 3HB ALA 23 -3.384 -3.302 4.392 142 H VAL 24 H VAL 24 -3.255 -3.325 7.136 143 HA VAL 24 HA VAL 24 -5.985 -3.174 7.604 144 HB VAL 24 HB VAL 24 -3.868 -4.088 9.564 145 HG11 VAL 24 1HG1 VAL 24 -6.797 -4.784 9.386 146 HG12 VAL 24 2HG1 VAL 24 -6.048 -3.764 10.613 147 HG13 VAL 24 3HG1 VAL 24 -5.635 -5.477 10.519 148 HG21 VAL 24 3HG2 VAL 24 -3.657 -5.212 7.415 149 HG22 VAL 24 1HG2 VAL 24 -5.367 -5.640 7.459 150 HG23 VAL 24 2HG2 VAL 24 -4.257 -6.321 8.649 151 H GLN 25 H GLN 25 -3.344 -1.497 9.239 152 HA GLN 25 HA GLN 25 -5.150 -0.343 11.194 153 HB2 GLN 25 2HB GLN 25 -2.175 -0.009 10.786 154 HB3 GLN 25 1HB GLN 25 -3.085 0.764 12.074 155 HG2 GLN 25 2HG GLN 25 -2.109 -1.106 13.065 156 HG3 GLN 25 1HG GLN 25 -3.781 -1.580 12.774 157 HE21 GLN 25 1HE2 GLN 25 -1.228 -1.374 10.366 158 HE22 GLN 25 2HE2 GLN 25 -1.179 -3.074 10.012 159 H ALA 26 H ALA 26 -4.108 0.427 8.097 160 HA ALA 26 HA ALA 26 -4.194 3.308 8.482 161 HB1 ALA 26 1HB ALA 26 -2.529 2.368 6.961 162 HB2 ALA 26 2HB ALA 26 -3.636 3.448 6.113 163 HB3 ALA 26 3HB ALA 26 -3.817 1.700 5.961 164 H VAL 27 H VAL 27 -6.171 0.730 7.144 165 HA VAL 27 HA VAL 27 -8.113 2.659 6.142 166 HB VAL 27 HB VAL 27 -7.553 0.711 4.738 167 HG11 VAL 27 1HG1 VAL 27 -8.853 -0.933 6.901 168 HG12 VAL 27 2HG1 VAL 27 -7.142 -0.933 6.478 169 HG13 VAL 27 3HG1 VAL 27 -8.334 -1.525 5.323 170 HG21 VAL 27 3HG2 VAL 27 -9.844 0.058 4.166 171 HG22 VAL 27 1HG2 VAL 27 -9.707 1.792 4.456 172 HG23 VAL 27 2HG2 VAL 27 -10.415 0.746 5.686 173 HA PRO 28 HA PRO 28 -10.476 2.370 9.901 174 HB2 PRO 28 2HB PRO 28 -12.690 3.684 9.032 175 HB3 PRO 28 1HB PRO 28 -11.192 4.509 9.476 176 HG2 PRO 28 2HG PRO 28 -12.230 3.789 6.768 177 HG3 PRO 28 1HG PRO 28 -11.427 5.277 7.302 178 HD2 PRO 28 2HD PRO 28 -10.143 3.309 5.934 179 HD3 PRO 28 1HD PRO 28 -9.328 4.360 7.108 180 H GLY 29 H GLY 29 -10.683 0.055 9.703 181 HA2 GLY 29 2HA GLY 29 -11.982 -1.831 9.794 182 HA3 GLY 29 1HA GLY 29 -13.380 -0.771 9.689 183 H GLY 30 H GLY 30 -10.783 -1.191 7.332 184 HA2 GLY 30 2HA GLY 30 -12.864 -1.998 5.405 185 HA3 GLY 30 1HA GLY 30 -11.464 -1.022 4.985 186 H THR 31 H THR 31 -11.550 -2.872 3.338 187 HA THR 31 HA THR 31 -10.328 -5.331 4.336 188 HB THR 31 HB THR 31 -11.217 -4.721 1.513 189 HG1 THR 31 1HG THR 31 -12.727 -6.095 3.507 190 HG21 THR 31 3HG2 THR 31 -11.365 -7.170 1.330 191 HG22 THR 31 1HG2 THR 31 -10.771 -7.324 2.985 192 HG23 THR 31 2HG2 THR 31 -9.730 -6.646 1.733 193 H ALA 32 H ALA 32 -8.210 -5.683 4.170 194 HA ALA 32 HA ALA 32 -6.552 -3.898 2.561 195 HB1 ALA 32 1HB ALA 32 -5.808 -6.051 4.546 196 HB2 ALA 32 2HB ALA 32 -5.828 -4.312 4.843 197 HB3 ALA 32 3HB ALA 32 -4.665 -5.001 3.710 198 H GLY 33 H GLY 33 -5.588 -4.507 0.695 199 HA2 GLY 33 2HA GLY 33 -5.965 -7.317 -0.129 200 HA3 GLY 33 1HA GLY 33 -6.224 -5.964 -1.222 201 H GLU 34 H GLU 34 -4.493 -8.095 -1.776 202 HA GLU 34 HA GLU 34 -1.805 -7.674 -1.252 203 HB2 GLU 34 2HB GLU 34 -3.276 -8.859 -3.578 204 HB3 GLU 34 1HB GLU 34 -1.534 -8.649 -3.664 205 HG2 GLU 34 2HG GLU 34 -2.179 -10.901 -2.960 206 HG3 GLU 34 1HG GLU 34 -1.222 -10.063 -1.742 207 H VAL 35 H VAL 35 -0.532 -6.042 -1.627 208 HA VAL 35 HA VAL 35 -1.298 -4.002 -3.567 209 HB VAL 35 HB VAL 35 0.280 -2.550 -2.457 210 HG11 VAL 35 1HG1 VAL 35 -1.394 -4.095 -0.480 211 HG12 VAL 35 2HG1 VAL 35 -1.905 -2.701 -1.435 212 HG13 VAL 35 3HG1 VAL 35 -0.678 -2.512 -0.181 213 HG21 VAL 35 3HG2 VAL 35 1.034 -4.942 -0.777 214 HG22 VAL 35 1HG2 VAL 35 1.609 -3.292 -0.543 215 HG23 VAL 35 2HG2 VAL 35 2.041 -4.175 -2.006 216 H GLU 36 H GLU 36 0.272 -3.146 -5.045 217 HA GLU 36 HA GLU 36 2.556 -4.923 -5.547 218 HB2 GLU 36 2HB GLU 36 2.267 -4.597 -7.958 219 HB3 GLU 36 1HB GLU 36 0.845 -5.345 -7.247 220 HG2 GLU 36 2HG GLU 36 -0.324 -3.212 -7.292 221 HG3 GLU 36 1HG GLU 36 1.110 -2.427 -7.949 222 H THR 37 H THR 37 4.463 -3.944 -6.141 223 HA THR 37 HA THR 37 4.753 -1.173 -5.486 224 HB THR 37 HB THR 37 7.128 -1.508 -6.180 225 HG1 THR 37 1HG THR 37 7.071 -3.066 -7.728 226 HG21 THR 37 3HG2 THR 37 7.713 -3.062 -4.387 227 HG22 THR 37 1HG2 THR 37 6.044 -3.633 -4.330 228 HG23 THR 37 2HG2 THR 37 6.423 -1.972 -3.880 229 H GLU 38 H GLU 38 5.057 0.557 -6.866 230 HA GLU 38 HA GLU 38 4.482 0.114 -9.666 231 HB2 GLU 38 2HB GLU 38 5.079 2.653 -8.131 232 HB3 GLU 38 1HB GLU 38 4.722 2.605 -9.852 233 HG2 GLU 38 2HG GLU 38 2.565 1.347 -9.056 234 HG3 GLU 38 1HG GLU 38 2.922 2.144 -7.526 235 H THR 39 H THR 39 6.228 -1.148 -10.241 236 HA THR 39 HA THR 39 8.919 -0.381 -9.726 237 HB THR 39 HB THR 39 8.015 -2.357 -11.818 238 HG1 THR 39 1HG THR 39 7.716 -3.829 -10.203 239 HG21 THR 39 3HG2 THR 39 10.106 -3.483 -11.236 240 HG22 THR 39 1HG2 THR 39 10.449 -2.249 -10.027 241 HG23 THR 39 2HG2 THR 39 10.419 -1.822 -11.738 242 H GLY 40 H GLY 40 10.153 0.984 -10.826 243 HA2 GLY 40 2HA GLY 40 10.869 1.807 -13.055 244 HA3 GLY 40 1HA GLY 40 9.154 1.943 -13.438 245 H GLU 41 H GLU 41 8.544 2.827 -10.702 246 HA GLU 41 HA GLU 41 9.085 5.643 -11.046 247 HB2 GLU 41 2HB GLU 41 7.354 3.999 -9.246 248 HB3 GLU 41 1HB GLU 41 7.764 5.634 -8.752 249 HG2 GLU 41 2HG GLU 41 5.612 5.552 -9.877 250 HG3 GLU 41 1HG GLU 41 6.772 6.522 -10.779 251 H GLY 42 H GLY 42 10.197 6.963 -9.575 252 HA2 GLY 42 2HA GLY 42 12.319 5.516 -8.158 253 HA3 GLY 42 1HA GLY 42 12.358 7.207 -8.638 254 H ALA 43 H ALA 43 9.838 7.968 -7.609 255 HA ALA 43 HA ALA 43 10.596 8.267 -4.830 256 HB1 ALA 43 1HB ALA 43 8.797 9.896 -4.698 257 HB2 ALA 43 2HB ALA 43 8.236 9.435 -6.307 258 HB3 ALA 43 3HB ALA 43 9.809 10.209 -6.107 259 H ALA 44 H ALA 44 7.502 7.443 -6.412 260 HA ALA 44 HA ALA 44 6.525 6.214 -3.999 261 HB1 ALA 44 1HB ALA 44 5.323 6.342 -6.764 262 HB2 ALA 44 2HB ALA 44 5.022 7.467 -5.439 263 HB3 ALA 44 3HB ALA 44 4.502 5.789 -5.305 264 H ALA 45 H ALA 45 7.776 4.451 -3.553 265 HA ALA 45 HA ALA 45 8.305 2.460 -5.580 266 HB1 ALA 45 1HB ALA 45 9.996 2.999 -3.886 267 HB2 ALA 45 2HB ALA 45 9.544 1.294 -3.843 268 HB3 ALA 45 3HB ALA 45 8.914 2.405 -2.626 269 H TYR 46 H TYR 46 6.237 2.794 -2.737 270 HA TYR 46 HA TYR 46 5.037 0.187 -3.416 271 HB2 TYR 46 2HB TYR 46 5.087 1.549 -0.713 272 HB3 TYR 46 1HB TYR 46 4.366 -0.014 -1.069 273 HD1 TYR 46 1HD TYR 46 5.830 -1.959 -1.580 274 HD2 TYR 46 2HD TYR 46 7.425 1.780 -0.338 275 HE1 TYR 46 1HE TYR 46 7.962 -3.054 -1.029 276 HE2 TYR 46 2HE TYR 46 9.558 0.696 0.211 277 HH TYR 46 HH TYR 46 10.366 -1.571 0.818 278 H GLY 47 H GLY 47 2.843 0.067 -3.655 279 HA2 GLY 47 2HA GLY 47 1.294 2.494 -2.984 280 HA3 GLY 47 1HA GLY 47 0.950 1.513 -4.409 281 H VAL 48 H VAL 48 0.106 2.071 -1.239 282 HA VAL 48 HA VAL 48 -0.709 -0.696 -0.736 283 HB VAL 48 HB VAL 48 -0.782 1.709 1.090 284 HG11 VAL 48 1HG1 VAL 48 -2.523 0.117 1.675 285 HG12 VAL 48 2HG1 VAL 48 -1.231 0.074 2.875 286 HG13 VAL 48 3HG1 VAL 48 -1.352 -1.199 1.660 287 HG21 VAL 48 3HG2 VAL 48 1.076 -0.667 1.050 288 HG22 VAL 48 1HG2 VAL 48 1.079 0.631 2.242 289 HG23 VAL 48 2HG2 VAL 48 1.490 0.977 0.563 290 H LEU 49 H LEU 49 -2.628 -1.258 -1.508 291 HA LEU 49 HA LEU 49 -4.678 0.793 -1.808 292 HB2 LEU 49 2HB LEU 49 -5.836 -0.898 -3.221 293 HB3 LEU 49 1HB LEU 49 -4.263 -0.415 -3.819 294 HG LEU 49 HG LEU 49 -3.681 -2.657 -2.322 295 HD11 LEU 49 1HD1 LEU 49 -6.270 -3.118 -3.796 296 HD12 LEU 49 2HD1 LEU 49 -6.035 -3.192 -2.049 297 HD13 LEU 49 3HD1 LEU 49 -5.247 -4.371 -3.097 298 HD21 LEU 49 3HD2 LEU 49 -4.297 -2.498 -5.270 299 HD22 LEU 49 1HD2 LEU 49 -3.303 -3.718 -4.473 300 HD23 LEU 49 2HD2 LEU 49 -2.771 -2.036 -4.513 301 H VAL 50 H VAL 50 -6.051 1.040 -0.230 302 HA VAL 50 HA VAL 50 -6.966 -1.351 1.222 303 HB VAL 50 HB VAL 50 -7.659 0.301 3.044 304 HG11 VAL 50 1HG1 VAL 50 -5.785 -1.213 3.303 305 HG12 VAL 50 2HG1 VAL 50 -5.403 0.357 4.011 306 HG13 VAL 50 3HG1 VAL 50 -4.732 -0.088 2.442 307 HG21 VAL 50 3HG2 VAL 50 -5.746 2.076 1.528 308 HG22 VAL 50 1HG2 VAL 50 -6.367 2.387 3.150 309 HG23 VAL 50 2HG2 VAL 50 -7.470 2.367 1.772 310 H THR 51 H THR 51 -9.022 -1.894 1.052 311 HA THR 51 HA THR 51 -10.769 -0.161 -0.518 312 HB THR 51 HB THR 51 -11.285 -2.993 0.424 313 HG1 THR 51 1HG THR 51 -9.441 -2.301 -1.211 314 HG21 THR 51 3HG2 THR 51 -12.545 -1.347 -1.777 315 HG22 THR 51 1HG2 THR 51 -13.293 -1.747 -0.231 316 HG23 THR 51 2HG2 THR 51 -12.931 -3.024 -1.391 317 H ARG 52 H ARG 52 -11.794 1.326 0.690 318 HA ARG 52 HA ARG 52 -12.533 0.895 3.418 319 HB2 ARG 52 2HB ARG 52 -13.344 3.028 1.433 320 HB3 ARG 52 1HB ARG 52 -13.819 3.032 3.124 321 HG2 ARG 52 2HG ARG 52 -11.430 3.133 3.757 322 HG3 ARG 52 1HG ARG 52 -11.016 3.244 2.042 323 HD2 ARG 52 2HD ARG 52 -12.275 5.296 1.834 324 HD3 ARG 52 1HD ARG 52 -12.824 5.162 3.501 325 HE ARG 52 HE ARG 52 -9.968 5.489 2.867 326 HH11 ARG 52 1HH1 ARG 52 -12.872 6.470 4.549 327 HH12 ARG 52 2HH1 ARG 52 -12.096 7.784 5.389 328 HH21 ARG 52 1HH2 ARG 52 -8.932 7.230 3.987 329 HH22 ARG 52 2HH2 ARG 52 -9.875 8.196 5.085 330 HA PRO 53 HA PRO 53 -16.479 -1.122 2.870 331 HB2 PRO 53 2HB PRO 53 -17.509 0.563 5.064 332 HB3 PRO 53 1HB PRO 53 -17.380 -1.196 4.966 333 HG2 PRO 53 2HG PRO 53 -15.760 0.246 6.550 334 HG3 PRO 53 1HG PRO 53 -15.197 -1.214 5.716 335 HD2 PRO 53 2HD PRO 53 -14.723 1.661 5.041 336 HD3 PRO 53 1HD PRO 53 -13.616 0.276 4.934 337 H ASP 54 H ASP 54 -15.973 2.225 2.747 338 HA ASP 54 HA ASP 54 -18.550 3.124 2.018 339 HB2 ASP 54 2HB ASP 54 -16.724 4.602 2.808 340 HB3 ASP 54 1HB ASP 54 -15.846 4.286 1.315 341 H GLY 55 H GLY 55 -15.985 1.525 0.297 342 HA2 GLY 55 2HA GLY 55 -16.707 0.265 -1.674 343 HA3 GLY 55 1HA GLY 55 -17.622 1.683 -2.158 344 H THR 56 H THR 56 -15.127 3.233 -1.123 345 HA THR 56 HA THR 56 -13.905 3.334 -3.755 346 HB THR 56 HB THR 56 -14.588 5.442 -2.726 347 HG1 THR 56 1HG THR 56 -12.542 6.535 -2.934 348 HG21 THR 56 3HG2 THR 56 -13.449 6.328 -0.753 349 HG22 THR 56 1HG2 THR 56 -12.542 4.824 -0.589 350 HG23 THR 56 2HG2 THR 56 -14.291 4.828 -0.370 351 H ARG 57 H ARG 57 -11.674 3.150 -4.142 352 HA ARG 57 HA ARG 57 -10.201 1.611 -2.119 353 HB2 ARG 57 2HB ARG 57 -10.502 0.647 -4.446 354 HB3 ARG 57 1HB ARG 57 -9.498 1.963 -5.039 355 HG2 ARG 57 2HG ARG 57 -7.715 1.155 -3.441 356 HG3 ARG 57 1HG ARG 57 -8.711 -0.281 -3.203 357 HD2 ARG 57 2HD ARG 57 -7.265 -0.968 -4.867 358 HD3 ARG 57 1HD ARG 57 -8.659 -0.428 -5.798 359 HE ARG 57 HE ARG 57 -7.202 1.790 -5.788 360 HH11 ARG 57 1HH1 ARG 57 -6.275 -1.538 -6.457 361 HH12 ARG 57 2HH1 ARG 57 -4.917 -1.075 -7.449 362 HH21 ARG 57 1HH2 ARG 57 -5.387 2.368 -7.083 363 HH22 ARG 57 2HH2 ARG 57 -4.432 1.104 -7.805 364 H VAL 58 H VAL 58 -8.738 2.687 -0.984 365 HA VAL 58 HA VAL 58 -7.626 5.159 -2.122 366 HB VAL 58 HB VAL 58 -7.538 4.191 0.746 367 HG11 VAL 58 1HG1 VAL 58 -6.784 6.861 -0.440 368 HG12 VAL 58 2HG1 VAL 58 -5.659 5.639 0.154 369 HG13 VAL 58 3HG1 VAL 58 -6.760 6.440 1.273 370 HG21 VAL 58 3HG2 VAL 58 -9.272 6.304 -0.527 371 HG22 VAL 58 1HG2 VAL 58 -9.184 5.946 1.195 372 HG23 VAL 58 2HG2 VAL 58 -9.811 4.736 0.074 373 H GLU 59 H GLU 59 -5.608 5.129 -2.858 374 HA GLU 59 HA GLU 59 -3.890 2.900 -2.021 375 HB2 GLU 59 2HB GLU 59 -2.623 3.343 -4.139 376 HB3 GLU 59 1HB GLU 59 -4.264 2.762 -4.369 377 HG2 GLU 59 2HG GLU 59 -4.988 5.078 -4.802 378 HG3 GLU 59 1HG GLU 59 -3.312 5.601 -4.655 379 H VAL 60 H VAL 60 -2.518 3.457 -0.534 380 HA VAL 60 HA VAL 60 -1.632 6.209 -0.282 381 HB VAL 60 HB VAL 60 -0.762 3.861 1.403 382 HG11 VAL 60 1HG1 VAL 60 -0.345 5.591 3.095 383 HG12 VAL 60 2HG1 VAL 60 -0.822 6.828 1.933 384 HG13 VAL 60 3HG1 VAL 60 0.612 5.845 1.635 385 HG21 VAL 60 3HG2 VAL 60 -3.194 3.962 1.430 386 HG22 VAL 60 1HG2 VAL 60 -3.133 5.680 1.828 387 HG23 VAL 60 2HG2 VAL 60 -2.536 4.485 2.980 388 H HIS 61 H HIS 61 0.061 6.909 -1.387 389 HA HIS 61 HA HIS 61 1.954 5.060 -2.537 390 HB2 HIS 61 2HB HIS 61 1.434 7.976 -2.747 391 HB3 HIS 61 1HB HIS 61 3.056 7.414 -3.135 392 HD1 HIS 61 1HD HIS 61 0.161 8.269 -4.874 393 HD2 HIS 61 2HD HIS 61 2.627 4.913 -4.947 394 HE1 HIS 61 1HE HIS 61 -0.220 7.185 -7.110 395 HE2 HIS 61 2HE HIS 61 1.437 5.280 -7.209 396 H LEU 62 H LEU 62 3.685 4.344 -1.583 397 HA LEU 62 HA LEU 62 4.652 5.770 0.804 398 HB2 LEU 62 2HB LEU 62 3.822 3.034 0.350 399 HB3 LEU 62 1HB LEU 62 5.456 3.101 0.977 400 HG LEU 62 HG LEU 62 4.793 3.877 3.027 401 HD11 LEU 62 1HD1 LEU 62 3.734 5.931 2.218 402 HD12 LEU 62 2HD1 LEU 62 2.739 5.153 3.449 403 HD13 LEU 62 3HD1 LEU 62 2.303 5.013 1.746 404 HD21 LEU 62 3HD2 LEU 62 2.737 2.736 3.701 405 HD22 LEU 62 1HD2 LEU 62 3.749 1.716 2.678 406 HD23 LEU 62 2HD2 LEU 62 2.321 2.502 2.003 407 H ASP 63 H ASP 63 6.850 5.646 1.293 408 HA ASP 63 HA ASP 63 8.591 5.599 -1.038 409 HB2 ASP 63 2HB ASP 63 8.749 7.508 0.471 410 HB3 ASP 63 1HB ASP 63 9.011 6.446 1.846 411 H ARG 64 H ARG 64 10.893 4.692 -0.484 412 HA ARG 64 HA ARG 64 10.780 1.934 -0.412 413 HB2 ARG 64 2HB ARG 64 13.111 3.672 0.409 414 HB3 ARG 64 1HB ARG 64 13.203 1.995 -0.107 415 HG2 ARG 64 2HG ARG 64 12.529 2.567 -2.325 416 HG3 ARG 64 1HG ARG 64 12.183 4.228 -1.840 417 HD2 ARG 64 2HD ARG 64 14.895 2.915 -1.770 418 HD3 ARG 64 1HD ARG 64 14.331 4.022 -3.019 419 HE ARG 64 HE ARG 64 14.225 5.072 -0.320 420 HH11 ARG 64 1HH1 ARG 64 16.162 4.704 -3.214 421 HH12 ARG 64 2HH1 ARG 64 17.150 6.097 -2.887 422 HH21 ARG 64 1HH2 ARG 64 15.496 6.896 0.116 423 HH22 ARG 64 2HH2 ARG 64 16.761 7.361 -0.983 424 H ASP 65 H ASP 65 11.257 4.198 2.243 425 HA ASP 65 HA ASP 65 11.646 2.031 4.153 426 HB2 ASP 65 2HB ASP 65 11.737 5.032 4.368 427 HB3 ASP 65 1HB ASP 65 11.758 4.003 5.794 428 H PHE 66 H PHE 66 9.040 2.796 2.683 429 HA PHE 66 HA PHE 66 6.822 2.716 3.078 430 HB2 PHE 66 2HB PHE 66 7.931 1.439 5.506 431 HB3 PHE 66 1HB PHE 66 6.267 2.010 5.623 432 HD1 PHE 66 1HD PHE 66 8.538 -0.268 3.838 433 HD2 PHE 66 2HD PHE 66 4.516 0.955 4.447 434 HE1 PHE 66 1HE PHE 66 7.755 -2.263 2.632 435 HE2 PHE 66 2HE PHE 66 3.721 -1.039 3.252 436 HZ PHE 66 HZ PHE 66 5.340 -2.645 2.340 437 H ARG 67 H ARG 67 8.455 5.115 3.678 438 HA ARG 67 HA ARG 67 6.935 6.522 5.682 439 HB2 ARG 67 2HB ARG 67 9.363 6.987 5.042 440 HB3 ARG 67 1HB ARG 67 8.731 7.734 3.580 441 HG2 ARG 67 2HG ARG 67 7.558 9.384 4.854 442 HG3 ARG 67 1HG ARG 67 7.979 8.580 6.366 443 HD2 ARG 67 2HD ARG 67 10.423 8.950 5.596 444 HD3 ARG 67 1HD ARG 67 9.721 10.146 4.504 445 HE ARG 67 HE ARG 67 8.667 11.008 6.715 446 HH11 ARG 67 1HH1 ARG 67 11.931 9.845 6.220 447 HH12 ARG 67 2HH1 ARG 67 12.551 10.611 7.657 448 HH21 ARG 67 1HH2 ARG 67 9.470 12.053 8.551 449 HH22 ARG 67 2HH2 ARG 67 11.157 11.903 8.973 450 H VAL 68 H VAL 68 5.233 7.916 5.320 451 HA VAL 68 HA VAL 68 3.732 7.381 2.961 452 HB VAL 68 HB VAL 68 2.598 7.722 5.088 453 HG11 VAL 68 1HG1 VAL 68 3.543 10.576 4.903 454 HG12 VAL 68 2HG1 VAL 68 4.043 9.381 6.100 455 HG13 VAL 68 3HG1 VAL 68 2.377 9.957 6.071 456 HG21 VAL 68 3HG2 VAL 68 0.835 9.256 4.325 457 HG22 VAL 68 1HG2 VAL 68 1.347 8.141 3.058 458 HG23 VAL 68 2HG2 VAL 68 1.901 9.816 3.035 459 H LEU 69 H LEU 69 3.754 8.367 1.084 460 HA LEU 69 HA LEU 69 5.121 10.945 0.835 461 HB2 LEU 69 2HB LEU 69 4.103 9.105 -1.339 462 HB3 LEU 69 1HB LEU 69 5.114 10.520 -1.562 463 HG LEU 69 HG LEU 69 5.923 7.978 -0.149 464 HD11 LEU 69 1HD1 LEU 69 6.752 9.132 -2.806 465 HD12 LEU 69 2HD1 LEU 69 5.729 7.715 -2.559 466 HD13 LEU 69 3HD1 LEU 69 7.420 7.682 -2.056 467 HD21 LEU 69 3HD2 LEU 69 6.987 9.970 0.816 468 HD22 LEU 69 1HD2 LEU 69 7.546 10.441 -0.788 469 HD23 LEU 69 2HD2 LEU 69 8.145 8.957 -0.045 470 H ASP 70 H ASP 70 2.175 9.390 -0.434 471 HA ASP 70 HA ASP 70 0.592 11.691 0.286 472 HB2 ASP 70 2HB ASP 70 1.590 12.252 -1.976 473 HB3 ASP 70 1HB ASP 70 0.683 10.889 -2.628 474 H THR 71 H THR 71 -1.533 11.180 0.527 475 HA THR 71 HA THR 71 -2.247 8.362 0.078 476 HB THR 71 HB THR 71 -3.562 10.312 1.982 477 HG1 THR 71 1HG THR 71 -2.282 9.338 3.592 478 HG21 THR 71 3HG2 THR 71 -4.456 8.293 3.025 479 HG22 THR 71 1HG2 THR 71 -3.631 7.295 1.826 480 HG23 THR 71 2HG2 THR 71 -4.931 8.378 1.328 481 H GLU 72 H GLU 72 -3.500 8.089 -1.680 482 HA GLU 72 HA GLU 72 -5.468 10.174 -2.293 483 HB2 GLU 72 2HB GLU 72 -4.833 10.029 -4.692 484 HB3 GLU 72 1HB GLU 72 -3.574 10.704 -3.667 485 HG2 GLU 72 2HG GLU 72 -2.527 8.425 -3.624 486 HG3 GLU 72 1HG GLU 72 -3.694 7.946 -4.854 487 HA PRO 73 HA PRO 73 -7.935 6.551 -3.301 488 HB2 PRO 73 2HB PRO 73 -10.183 8.290 -3.653 489 HB3 PRO 73 1HB PRO 73 -9.853 7.214 -2.295 490 HG2 PRO 73 2HG PRO 73 -9.856 9.980 -2.163 491 HG3 PRO 73 1HG PRO 73 -9.059 8.905 -1.003 492 HD2 PRO 73 2HD PRO 73 -7.885 10.446 -3.278 493 HD3 PRO 73 1HD PRO 73 -7.204 10.095 -1.674 494 H ALA 74 H ALA 74 -8.189 5.735 -5.323 495 HA ALA 74 HA ALA 74 -8.102 7.679 -7.536 496 HB1 ALA 74 1HB ALA 74 -6.913 6.016 -8.840 497 HB2 ALA 74 2HB ALA 74 -7.026 4.868 -7.505 498 HB3 ALA 74 3HB ALA 74 -6.067 6.337 -7.327 499 H ASP 75 H ASP 75 -8.886 6.668 -9.650 500 HA ASP 75 HA ASP 75 -11.349 5.130 -9.144 501 HB2 ASP 75 2HB ASP 75 -12.487 6.394 -10.854 502 HB3 ASP 75 1HB ASP 75 -11.783 7.535 -9.714 503 H GLY 76 H GLY 76 -12.158 4.430 -11.551 504 HA2 GLY 76 2HA GLY 76 -9.814 3.180 -12.841 505 HA3 GLY 76 1HA GLY 76 -11.289 2.281 -12.514 506 H ASP 77 H ASP 77 -9.984 5.028 -14.322 507 HA ASP 77 HA ASP 77 -12.277 5.044 -16.107 508 HB2 ASP 77 2HB ASP 77 -11.103 7.156 -15.494 509 HB3 ASP 77 1HB ASP 77 -9.670 6.568 -16.332 510 H GLY 78 H GLY 78 -8.780 4.495 -16.420 511 HA2 GLY 78 2HA GLY 78 -7.842 2.618 -17.516 512 HA3 GLY 78 1HA GLY 78 -9.351 2.407 -18.390 513 H GLY 79 H GLY 79 -9.520 5.232 -19.158 514 HA2 GLY 79 2HA GLY 79 -7.908 5.049 -21.539 515 HA3 GLY 79 1HA GLY 79 -9.027 6.343 -21.127 516 H LEU 80 H LEU 80 -5.754 5.230 -20.971 517 HA LEU 80 HA LEU 80 -4.893 7.376 -19.241 518 HB2 LEU 80 2HB LEU 80 -3.294 5.354 -20.812 519 HB3 LEU 80 1HB LEU 80 -2.631 6.474 -19.637 520 HG LEU 80 HG LEU 80 -4.608 4.273 -19.025 521 HD11 LEU 80 1HD1 LEU 80 -2.728 3.206 -17.881 522 HD12 LEU 80 2HD1 LEU 80 -1.657 4.489 -18.442 523 HD13 LEU 80 3HD1 LEU 80 -2.410 3.397 -19.604 524 HD21 LEU 80 3HD2 LEU 80 -3.148 6.195 -17.217 525 HD22 LEU 80 1HD2 LEU 80 -4.116 4.823 -16.679 526 HD23 LEU 80 2HD2 LEU 80 -4.883 6.163 -17.532 527 H GLU 81 H GLU 81 -5.373 9.266 -20.313 528 HA GLU 81 HA GLU 81 -3.381 10.177 -22.136 529 HB2 GLU 81 2HB GLU 81 -4.902 9.038 -23.733 530 HB3 GLU 81 1HB GLU 81 -6.223 10.059 -23.174 531 HG2 GLU 81 2HG GLU 81 -5.008 12.039 -23.947 532 HG3 GLU 81 1HG GLU 81 -3.703 11.008 -24.525 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 7.744 4.475 17.899 2 H2 GLY 1 2HT GLY 1 8.731 3.112 18.121 3 H3 GLY 1 3HT GLY 1 7.314 2.993 17.196 4 HA2 GLY 1 1HA GLY 1 8.220 4.473 15.534 5 HA3 GLY 1 2HA GLY 1 9.684 4.632 16.496 6 H ALA 2 H ALA 2 7.625 1.987 15.271 7 HA ALA 2 HA ALA 2 10.090 0.547 14.558 8 HB1 ALA 2 1HB ALA 2 8.749 -1.479 14.578 9 HB2 ALA 2 2HB ALA 2 7.297 -0.535 14.916 10 HB3 ALA 2 3HB ALA 2 8.592 -0.620 16.111 11 H MET 3 H MET 3 10.425 -0.186 12.487 12 HA MET 3 HA MET 3 8.799 1.048 10.423 13 HB2 MET 3 2HB MET 3 11.307 -0.631 10.276 14 HB3 MET 3 1HB MET 3 10.461 -0.032 8.859 15 HG2 MET 3 2HG MET 3 12.196 1.478 9.191 16 HG3 MET 3 1HG MET 3 10.776 2.288 9.846 17 HE1 MET 3 3HE MET 3 13.036 -0.580 11.357 18 HE2 MET 3 1HE MET 3 14.131 0.368 12.363 19 HE3 MET 3 2HE MET 3 14.176 0.537 10.608 20 H ALA 4 H ALA 4 8.047 -0.263 8.555 21 HA ALA 4 HA ALA 4 6.554 -2.506 9.571 22 HB1 ALA 4 1HB ALA 4 5.490 -0.854 8.103 23 HB2 ALA 4 2HB ALA 4 5.407 -2.482 7.429 24 HB3 ALA 4 3HB ALA 4 6.578 -1.326 6.797 25 H PHE 5 H PHE 5 8.573 -3.744 9.978 26 HA PHE 5 HA PHE 5 9.060 -5.446 7.641 27 HB2 PHE 5 2HB PHE 5 11.186 -4.412 9.526 28 HB3 PHE 5 1HB PHE 5 11.436 -5.748 8.407 29 HD1 PHE 5 2HD PHE 5 10.950 -5.234 5.891 30 HD2 PHE 5 1HD PHE 5 11.654 -2.256 8.858 31 HE1 PHE 5 2HE PHE 5 11.572 -3.633 4.134 32 HE2 PHE 5 1HE PHE 5 12.273 -0.652 7.099 33 HZ PHE 5 HZ PHE 5 12.234 -1.340 4.737 34 H ASP 6 H ASP 6 7.685 -6.984 8.383 35 HA ASP 6 HA ASP 6 8.780 -8.729 10.425 36 HB2 ASP 6 2HB ASP 6 7.242 -7.364 11.737 37 HB3 ASP 6 1HB ASP 6 5.953 -7.640 10.570 38 H GLY 7 H GLY 7 5.531 -8.633 9.028 39 HA2 GLY 7 2HA GLY 7 4.698 -9.641 7.128 40 HA3 GLY 7 1HA GLY 7 6.311 -10.218 6.756 41 H GLU 8 H GLU 8 3.480 -11.404 6.933 42 HA GLU 8 HA GLU 8 3.909 -13.665 8.676 43 HB2 GLU 8 2HB GLU 8 1.638 -12.786 8.113 44 HB3 GLU 8 1HB GLU 8 1.893 -13.286 6.448 45 HG2 GLU 8 2HG GLU 8 2.004 -15.600 7.119 46 HG3 GLU 8 1HG GLU 8 1.871 -15.138 8.816 47 H ASP 9 H ASP 9 4.713 -15.650 8.069 48 HA ASP 9 HA ASP 9 6.494 -15.504 5.812 49 HB2 ASP 9 2HB ASP 9 6.070 -17.577 7.956 50 HB3 ASP 9 1HB ASP 9 7.226 -17.789 6.646 51 H GLU 10 H GLU 10 3.344 -16.273 5.908 52 HA GLU 10 HA GLU 10 3.631 -18.417 3.914 53 HB2 GLU 10 2HB GLU 10 1.243 -17.744 5.628 54 HB3 GLU 10 1HB GLU 10 1.306 -19.030 4.430 55 HG2 GLU 10 2HG GLU 10 3.226 -19.994 5.754 56 HG3 GLU 10 1HG GLU 10 2.815 -18.832 7.015 57 H VAL 11 H VAL 11 3.367 -15.222 3.889 58 HA VAL 11 HA VAL 11 1.208 -14.983 1.962 59 HB VAL 11 HB VAL 11 1.797 -12.632 1.795 60 HG11 VAL 11 1HG1 VAL 11 0.377 -13.337 3.649 61 HG12 VAL 11 2HG1 VAL 11 1.378 -11.957 4.101 62 HG13 VAL 11 3HG1 VAL 11 1.807 -13.574 4.659 63 HG21 VAL 11 3HG2 VAL 11 3.624 -11.669 3.129 64 HG22 VAL 11 1HG2 VAL 11 4.223 -12.797 1.912 65 HG23 VAL 11 2HG2 VAL 11 4.124 -13.294 3.602 66 H THR 12 H THR 12 1.597 -14.105 -0.221 67 HA THR 12 HA THR 12 3.946 -15.412 -1.351 68 HB THR 12 HB THR 12 2.761 -14.875 -3.562 69 HG1 THR 12 1HG THR 12 0.345 -14.794 -3.006 70 HG21 THR 12 3HG2 THR 12 1.278 -16.813 -3.333 71 HG22 THR 12 1HG2 THR 12 1.449 -16.735 -1.579 72 HG23 THR 12 2HG2 THR 12 2.847 -17.112 -2.585 73 H GLY 13 H GLY 13 2.614 -12.233 -0.833 74 HA2 GLY 13 2HA GLY 13 4.731 -11.015 -2.455 75 HA3 GLY 13 1HA GLY 13 3.409 -10.168 -1.661 76 HA PRO 14 HA PRO 14 7.322 -11.232 1.203 77 HB2 PRO 14 2HB PRO 14 9.341 -9.667 0.113 78 HB3 PRO 14 1HB PRO 14 9.199 -11.419 -0.056 79 HG2 PRO 14 2HG PRO 14 8.401 -9.260 -1.958 80 HG3 PRO 14 1HG PRO 14 9.124 -10.845 -2.292 81 HD2 PRO 14 2HD PRO 14 6.512 -10.388 -2.688 82 HD3 PRO 14 1HD PRO 14 7.102 -11.953 -2.092 83 H ASP 15 H ASP 15 7.318 -8.110 -0.542 84 HA ASP 15 HA ASP 15 7.401 -6.702 2.006 85 HB2 ASP 15 2HB ASP 15 7.482 -4.664 0.448 86 HB3 ASP 15 1HB ASP 15 8.861 -5.757 0.421 87 H ALA 16 H ALA 16 5.088 -7.935 0.003 88 HA ALA 16 HA ALA 16 3.148 -5.890 -0.071 89 HB1 ALA 16 1HB ALA 16 1.598 -7.650 -0.716 90 HB2 ALA 16 2HB ALA 16 2.773 -8.873 -0.229 91 HB3 ALA 16 3HB ALA 16 3.125 -7.803 -1.585 92 H ASP 17 H ASP 17 3.699 -8.572 2.166 93 HA ASP 17 HA ASP 17 1.341 -8.532 3.596 94 HB2 ASP 17 2HB ASP 17 3.010 -10.266 3.911 95 HB3 ASP 17 1HB ASP 17 4.134 -9.099 4.597 96 H ARG 18 H ARG 18 4.329 -6.782 4.474 97 HA ARG 18 HA ARG 18 3.079 -5.640 6.759 98 HB2 ARG 18 2HB ARG 18 5.179 -4.162 6.792 99 HB3 ARG 18 1HB ARG 18 5.351 -5.885 7.068 100 HG2 ARG 18 2HG ARG 18 5.667 -4.912 4.291 101 HG3 ARG 18 1HG ARG 18 6.945 -4.534 5.446 102 HD2 ARG 18 2HD ARG 18 6.800 -7.060 6.037 103 HD3 ARG 18 1HD ARG 18 5.992 -7.201 4.477 104 HE ARG 18 HE ARG 18 8.200 -5.843 3.824 105 HH11 ARG 18 1HH1 ARG 18 7.713 -8.782 5.668 106 HH12 ARG 18 2HH1 ARG 18 9.305 -9.403 5.347 107 HH21 ARG 18 1HH2 ARG 18 10.303 -6.675 3.388 108 HH22 ARG 18 2HH2 ARG 18 10.758 -8.217 4.041 109 H ALA 19 H ALA 19 3.552 -4.517 3.481 110 HA ALA 19 HA ALA 19 2.954 -1.787 4.013 111 HB1 ALA 19 1HB ALA 19 4.120 -2.438 1.987 112 HB2 ALA 19 2HB ALA 19 2.624 -1.589 1.592 113 HB3 ALA 19 3HB ALA 19 2.708 -3.344 1.443 114 H ARG 20 H ARG 20 1.026 -4.588 3.090 115 HA ARG 20 HA ARG 20 -1.410 -3.087 2.913 116 HB2 ARG 20 2HB ARG 20 -1.893 -4.887 1.686 117 HB3 ARG 20 1HB ARG 20 -0.518 -5.764 2.328 118 HG2 ARG 20 2HG ARG 20 -3.022 -5.585 3.942 119 HG3 ARG 20 1HG ARG 20 -2.932 -6.703 2.580 120 HD2 ARG 20 2HD ARG 20 -0.879 -7.673 3.569 121 HD3 ARG 20 1HD ARG 20 -1.079 -6.606 4.959 122 HE ARG 20 HE ARG 20 -3.456 -7.997 4.722 123 HH11 ARG 20 1HH1 ARG 20 -0.087 -8.781 5.198 124 HH12 ARG 20 2HH1 ARG 20 -0.399 -10.232 6.088 125 HH21 ARG 20 1HH2 ARG 20 -3.900 -9.892 5.936 126 HH22 ARG 20 2HH2 ARG 20 -2.574 -10.866 6.522 127 H ALA 21 H ALA 21 0.337 -4.708 5.435 128 HA ALA 21 HA ALA 21 -1.846 -4.890 7.277 129 HB1 ALA 21 1HB ALA 21 0.133 -6.331 7.451 130 HB2 ALA 21 2HB ALA 21 -0.157 -5.431 8.939 131 HB3 ALA 21 3HB ALA 21 1.121 -4.919 7.836 132 H ALA 22 H ALA 22 0.598 -2.485 6.540 133 HA ALA 22 HA ALA 22 0.074 -0.818 8.789 134 HB1 ALA 22 1HB ALA 22 2.186 -0.738 7.548 135 HB2 ALA 22 2HB ALA 22 1.414 0.846 7.631 136 HB3 ALA 22 3HB ALA 22 1.332 -0.098 6.144 137 H ALA 23 H ALA 23 -1.392 -1.229 5.686 138 HA ALA 23 HA ALA 23 -2.697 1.297 5.535 139 HB1 ALA 23 1HB ALA 23 -2.256 -0.062 3.560 140 HB2 ALA 23 2HB ALA 23 -3.976 0.301 3.720 141 HB3 ALA 23 3HB ALA 23 -3.366 -1.296 4.155 142 H VAL 24 H VAL 24 -3.359 -1.633 7.213 143 HA VAL 24 HA VAL 24 -6.167 -1.507 7.378 144 HB VAL 24 HB VAL 24 -4.241 -2.710 9.382 145 HG11 VAL 24 1HG1 VAL 24 -6.119 -4.145 10.018 146 HG12 VAL 24 2HG1 VAL 24 -7.165 -3.271 8.898 147 HG13 VAL 24 3HG1 VAL 24 -6.482 -2.442 10.296 148 HG21 VAL 24 3HG2 VAL 24 -5.585 -3.942 6.978 149 HG22 VAL 24 1HG2 VAL 24 -4.646 -4.818 8.189 150 HG23 VAL 24 2HG2 VAL 24 -3.862 -3.615 7.168 151 H GLN 25 H GLN 25 -3.681 0.249 9.026 152 HA GLN 25 HA GLN 25 -5.357 1.056 11.224 153 HB2 GLN 25 2HB GLN 25 -2.630 1.942 10.296 154 HB3 GLN 25 1HB GLN 25 -3.449 2.680 11.661 155 HG2 GLN 25 2HG GLN 25 -1.892 1.076 12.483 156 HG3 GLN 25 1HG GLN 25 -3.521 0.466 12.764 157 HE21 GLN 25 1HE2 GLN 25 -0.629 0.143 10.840 158 HE22 GLN 25 2HE2 GLN 25 -0.957 -1.460 10.266 159 H ALA 26 H ALA 26 -5.041 1.998 8.010 160 HA ALA 26 HA ALA 26 -5.903 4.752 8.564 161 HB1 ALA 26 1HB ALA 26 -5.251 5.261 6.276 162 HB2 ALA 26 2HB ALA 26 -4.845 3.568 5.999 163 HB3 ALA 26 3HB ALA 26 -3.915 4.520 7.156 164 H VAL 27 H VAL 27 -7.290 1.846 8.024 165 HA VAL 27 HA VAL 27 -9.670 3.119 6.930 166 HB VAL 27 HB VAL 27 -8.615 2.208 4.948 167 HG11 VAL 27 1HG1 VAL 27 -8.672 -0.466 6.335 168 HG12 VAL 27 2HG1 VAL 27 -7.230 0.486 5.979 169 HG13 VAL 27 3HG1 VAL 27 -8.198 -0.176 4.662 170 HG21 VAL 27 3HG2 VAL 27 -11.024 2.144 5.005 171 HG22 VAL 27 1HG2 VAL 27 -10.994 0.588 5.838 172 HG23 VAL 27 2HG2 VAL 27 -10.415 0.711 4.177 173 HA PRO 28 HA PRO 28 -11.186 0.721 10.376 174 HB2 PRO 28 2HB PRO 28 -13.745 1.644 10.253 175 HB3 PRO 28 1HB PRO 28 -12.417 2.555 10.982 176 HG2 PRO 28 2HG PRO 28 -13.645 2.833 8.271 177 HG3 PRO 28 1HG PRO 28 -13.113 4.096 9.397 178 HD2 PRO 28 2HD PRO 28 -11.643 3.320 7.249 179 HD3 PRO 28 1HD PRO 28 -10.914 3.918 8.753 180 H GLY 29 H GLY 29 -11.039 -1.334 9.477 181 HA2 GLY 29 2HA GLY 29 -11.953 -3.350 8.856 182 HA3 GLY 29 1HA GLY 29 -13.532 -2.577 8.919 183 H GLY 30 H GLY 30 -10.737 -1.794 6.877 184 HA2 GLY 30 2HA GLY 30 -12.507 -2.039 4.547 185 HA3 GLY 30 1HA GLY 30 -10.994 -1.145 4.596 186 H THR 31 H THR 31 -11.587 -2.906 2.535 187 HA THR 31 HA THR 31 -10.236 -5.417 3.079 188 HB THR 31 HB THR 31 -11.310 -4.364 0.453 189 HG1 THR 31 1HG THR 31 -13.041 -5.992 1.107 190 HG21 THR 31 3HG2 THR 31 -9.712 -6.190 0.194 191 HG22 THR 31 1HG2 THR 31 -11.344 -6.741 -0.185 192 HG23 THR 31 2HG2 THR 31 -10.609 -7.158 1.363 193 H ALA 32 H ALA 32 -8.091 -5.414 3.128 194 HA ALA 32 HA ALA 32 -6.628 -3.657 1.283 195 HB1 ALA 32 1HB ALA 32 -6.091 -3.295 3.621 196 HB2 ALA 32 2HB ALA 32 -4.700 -3.985 2.781 197 HB3 ALA 32 3HB ALA 32 -5.699 -5.003 3.818 198 H GLY 33 H GLY 33 -5.429 -4.512 -0.313 199 HA2 GLY 33 2HA GLY 33 -5.176 -7.453 -0.368 200 HA3 GLY 33 1HA GLY 33 -5.180 -6.415 -1.791 201 H GLU 34 H GLU 34 -3.183 -8.336 -1.293 202 HA GLU 34 HA GLU 34 -0.901 -7.209 -0.076 203 HB2 GLU 34 2HB GLU 34 -1.269 -9.432 -2.066 204 HB3 GLU 34 1HB GLU 34 0.340 -8.908 -1.577 205 HG2 GLU 34 2HG GLU 34 -0.226 -9.363 0.761 206 HG3 GLU 34 1HG GLU 34 -1.825 -9.902 0.265 207 H VAL 35 H VAL 35 0.772 -6.050 -0.849 208 HA VAL 35 HA VAL 35 -0.019 -4.293 -3.017 209 HB VAL 35 HB VAL 35 1.366 -2.656 -2.098 210 HG11 VAL 35 1HG1 VAL 35 0.303 -4.319 0.171 211 HG12 VAL 35 2HG1 VAL 35 -0.538 -3.035 -0.698 212 HG13 VAL 35 3HG1 VAL 35 0.849 -2.649 0.323 213 HG21 VAL 35 3HG2 VAL 35 2.780 -4.793 -0.508 214 HG22 VAL 35 1HG2 VAL 35 3.120 -3.064 -0.448 215 HG23 VAL 35 2HG2 VAL 35 3.415 -3.971 -1.933 216 H GLU 36 H GLU 36 1.511 -3.532 -4.575 217 HA GLU 36 HA GLU 36 3.496 -5.584 -5.269 218 HB2 GLU 36 2HB GLU 36 2.105 -3.496 -6.958 219 HB3 GLU 36 1HB GLU 36 3.452 -4.467 -7.536 220 HG2 GLU 36 2HG GLU 36 2.110 -6.499 -7.102 221 HG3 GLU 36 1HG GLU 36 0.752 -5.462 -6.664 222 H THR 37 H THR 37 5.592 -5.064 -5.567 223 HA THR 37 HA THR 37 6.577 -2.663 -4.394 224 HB THR 37 HB THR 37 8.322 -4.361 -6.114 225 HG1 THR 37 1HG THR 37 7.303 -5.260 -3.588 226 HG21 THR 37 3HG2 THR 37 9.872 -4.110 -4.269 227 HG22 THR 37 1HG2 THR 37 8.615 -3.375 -3.272 228 HG23 THR 37 2HG2 THR 37 9.217 -2.529 -4.697 229 H GLU 38 H GLU 38 6.207 -0.794 -5.495 230 HA GLU 38 HA GLU 38 6.110 -0.676 -8.346 231 HB2 GLU 38 2HB GLU 38 6.241 1.572 -6.324 232 HB3 GLU 38 1HB GLU 38 5.885 1.762 -8.036 233 HG2 GLU 38 2HG GLU 38 3.916 0.214 -7.653 234 HG3 GLU 38 1HG GLU 38 4.220 0.416 -5.929 235 H THR 39 H THR 39 7.628 0.033 -9.776 236 HA THR 39 HA THR 39 10.273 0.663 -8.660 237 HB THR 39 HB THR 39 10.223 -1.686 -9.436 238 HG1 THR 39 1HG THR 39 12.192 -0.598 -9.590 239 HG21 THR 39 3HG2 THR 39 10.054 -2.177 -11.834 240 HG22 THR 39 1HG2 THR 39 9.662 -0.487 -12.151 241 HG23 THR 39 2HG2 THR 39 8.556 -1.485 -11.210 242 H GLY 40 H GLY 40 11.638 1.952 -10.023 243 HA2 GLY 40 2HA GLY 40 12.004 3.283 -11.976 244 HA3 GLY 40 1HA GLY 40 10.265 3.304 -12.242 245 H GLU 41 H GLU 41 10.055 3.774 -9.207 246 HA GLU 41 HA GLU 41 10.213 6.686 -9.418 247 HB2 GLU 41 2HB GLU 41 8.206 5.064 -8.533 248 HB3 GLU 41 1HB GLU 41 9.005 5.452 -7.018 249 HG2 GLU 41 2HG GLU 41 7.939 7.452 -8.999 250 HG3 GLU 41 1HG GLU 41 7.148 6.964 -7.503 251 H GLY 42 H GLY 42 11.109 7.924 -7.632 252 HA2 GLY 42 2HA GLY 42 13.529 6.664 -6.623 253 HA3 GLY 42 1HA GLY 42 13.123 8.370 -6.529 254 H ALA 43 H ALA 43 10.471 7.824 -5.358 255 HA ALA 43 HA ALA 43 11.404 7.163 -2.642 256 HB1 ALA 43 1HB ALA 43 10.744 9.496 -2.879 257 HB2 ALA 43 2HB ALA 43 9.639 8.634 -1.807 258 HB3 ALA 43 3HB ALA 43 9.156 9.000 -3.464 259 H ALA 44 H ALA 44 8.515 7.060 -4.724 260 HA ALA 44 HA ALA 44 7.081 5.291 -3.031 261 HB1 ALA 44 1HB ALA 44 6.676 5.852 -5.968 262 HB2 ALA 44 2HB ALA 44 5.965 6.761 -4.633 263 HB3 ALA 44 3HB ALA 44 5.518 5.074 -4.888 264 H ALA 45 H ALA 45 7.988 3.404 -2.536 265 HA ALA 45 HA ALA 45 9.048 1.751 -4.729 266 HB1 ALA 45 1HB ALA 45 9.641 1.508 -1.785 267 HB2 ALA 45 2HB ALA 45 10.646 2.377 -2.945 268 HB3 ALA 45 3HB ALA 45 10.423 0.635 -3.102 269 H TYR 46 H TYR 46 6.484 2.044 -2.559 270 HA TYR 46 HA TYR 46 5.645 -0.717 -3.117 271 HB2 TYR 46 2HB TYR 46 5.165 0.615 -0.447 272 HB3 TYR 46 1HB TYR 46 4.878 -1.065 -0.877 273 HD1 TYR 46 2HD TYR 46 7.385 1.409 0.096 274 HD2 TYR 46 1HD TYR 46 6.723 -2.665 -0.933 275 HE1 TYR 46 2HE TYR 46 9.592 0.831 1.002 276 HE2 TYR 46 1HE TYR 46 8.933 -3.255 -0.017 277 HH TYR 46 HH TYR 46 10.794 -1.025 1.847 278 H GLY 47 H GLY 47 3.584 -0.830 -3.851 279 HA2 GLY 47 2HA GLY 47 1.902 1.581 -3.527 280 HA3 GLY 47 1HA GLY 47 1.845 0.513 -4.929 281 H VAL 48 H VAL 48 0.380 1.280 -2.056 282 HA VAL 48 HA VAL 48 -0.573 -1.421 -1.466 283 HB VAL 48 HB VAL 48 -1.164 1.124 0.049 284 HG11 VAL 48 1HG1 VAL 48 -1.692 -0.404 1.895 285 HG12 VAL 48 2HG1 VAL 48 -1.387 -1.774 0.829 286 HG13 VAL 48 3HG1 VAL 48 -2.722 -0.674 0.490 287 HG21 VAL 48 3HG2 VAL 48 0.603 0.437 1.619 288 HG22 VAL 48 1HG2 VAL 48 1.242 0.778 0.010 289 HG23 VAL 48 2HG2 VAL 48 1.029 -0.892 0.538 290 H LEU 49 H LEU 49 -2.569 -2.113 -2.032 291 HA LEU 49 HA LEU 49 -4.417 -0.113 -3.128 292 HB2 LEU 49 2HB LEU 49 -5.590 -2.039 -4.157 293 HB3 LEU 49 1HB LEU 49 -3.939 -1.849 -4.701 294 HG LEU 49 HG LEU 49 -3.809 -3.657 -2.558 295 HD11 LEU 49 1HD1 LEU 49 -5.364 -5.417 -3.259 296 HD12 LEU 49 2HD1 LEU 49 -6.087 -4.305 -4.423 297 HD13 LEU 49 3HD1 LEU 49 -6.209 -3.975 -2.695 298 HD21 LEU 49 3HD2 LEU 49 -3.105 -5.215 -4.285 299 HD22 LEU 49 1HD2 LEU 49 -2.415 -3.618 -4.576 300 HD23 LEU 49 2HD2 LEU 49 -3.792 -4.169 -5.530 301 H VAL 50 H VAL 50 -5.854 0.627 -1.764 302 HA VAL 50 HA VAL 50 -6.874 -1.162 0.348 303 HB VAL 50 HB VAL 50 -6.671 1.855 0.406 304 HG11 VAL 50 1HG1 VAL 50 -8.543 0.977 1.710 305 HG12 VAL 50 2HG1 VAL 50 -7.290 1.657 2.749 306 HG13 VAL 50 3HG1 VAL 50 -7.438 -0.092 2.575 307 HG21 VAL 50 3HG2 VAL 50 -5.020 -0.207 1.861 308 HG22 VAL 50 1HG2 VAL 50 -4.893 1.543 2.039 309 HG23 VAL 50 2HG2 VAL 50 -4.474 0.780 0.505 310 H THR 51 H THR 51 -8.914 -1.758 0.077 311 HA THR 51 HA THR 51 -10.716 -0.025 -1.460 312 HB THR 51 HB THR 51 -11.192 -2.874 -0.559 313 HG1 THR 51 1HG THR 51 -9.400 -2.223 -2.213 314 HG21 THR 51 3HG2 THR 51 -12.545 -1.177 -2.665 315 HG22 THR 51 1HG2 THR 51 -13.224 -1.604 -1.090 316 HG23 THR 51 2HG2 THR 51 -12.925 -2.858 -2.292 317 H ARG 52 H ARG 52 -11.643 1.427 -0.160 318 HA ARG 52 HA ARG 52 -12.115 0.909 2.627 319 HB2 ARG 52 2HB ARG 52 -12.751 3.235 0.820 320 HB3 ARG 52 1HB ARG 52 -13.282 3.184 2.495 321 HG2 ARG 52 2HG ARG 52 -10.926 2.960 3.197 322 HG3 ARG 52 1HG ARG 52 -10.439 3.124 1.508 323 HD2 ARG 52 2HD ARG 52 -11.205 5.341 1.389 324 HD3 ARG 52 1HD ARG 52 -12.142 5.184 2.875 325 HE ARG 52 HE ARG 52 -9.202 5.051 2.942 326 HH11 ARG 52 1HH1 ARG 52 -12.197 6.621 3.847 327 HH12 ARG 52 2HH1 ARG 52 -11.466 7.548 5.129 328 HH21 ARG 52 1HH2 ARG 52 -8.234 6.299 4.600 329 HH22 ARG 52 2HH2 ARG 52 -9.221 7.391 5.526 330 HA PRO 53 HA PRO 53 -16.123 -0.870 2.531 331 HB2 PRO 53 2HB PRO 53 -17.283 0.439 4.674 332 HB3 PRO 53 1HB PRO 53 -16.222 -0.967 4.801 333 HG2 PRO 53 2HG PRO 53 -15.579 1.931 5.142 334 HG3 PRO 53 1HG PRO 53 -15.003 0.535 6.072 335 HD2 PRO 53 2HD PRO 53 -13.463 1.710 4.224 336 HD3 PRO 53 1HD PRO 53 -13.438 -0.050 4.466 337 H ASP 54 H ASP 54 -15.711 2.547 2.348 338 HA ASP 54 HA ASP 54 -18.409 3.280 1.850 339 HB2 ASP 54 2HB ASP 54 -15.869 4.683 0.990 340 HB3 ASP 54 1HB ASP 54 -17.478 5.395 1.049 341 H GLY 55 H GLY 55 -16.087 1.631 -0.018 342 HA2 GLY 55 2HA GLY 55 -16.626 0.578 -2.067 343 HA3 GLY 55 1HA GLY 55 -17.878 1.783 -2.329 344 H THR 56 H THR 56 -14.583 2.543 -1.416 345 HA THR 56 HA THR 56 -14.087 3.534 -4.134 346 HB THR 56 HB THR 56 -14.728 5.456 -2.761 347 HG1 THR 56 1HG THR 56 -13.106 5.775 -4.336 348 HG21 THR 56 3HG2 THR 56 -12.367 4.768 -1.007 349 HG22 THR 56 1HG2 THR 56 -14.059 4.533 -0.565 350 HG23 THR 56 2HG2 THR 56 -13.437 6.161 -0.837 351 H ARG 57 H ARG 57 -11.909 3.552 -4.785 352 HA ARG 57 HA ARG 57 -10.215 1.735 -3.209 353 HB2 ARG 57 2HB ARG 57 -10.882 0.896 -5.425 354 HB3 ARG 57 1HB ARG 57 -10.179 2.321 -6.177 355 HG2 ARG 57 2HG ARG 57 -7.969 1.657 -5.445 356 HG3 ARG 57 1HG ARG 57 -8.647 0.269 -4.591 357 HD2 ARG 57 2HD ARG 57 -9.428 -0.668 -6.691 358 HD3 ARG 57 1HD ARG 57 -8.836 0.745 -7.564 359 HE ARG 57 HE ARG 57 -6.597 -0.117 -6.397 360 HH11 ARG 57 1HH1 ARG 57 -9.082 -1.881 -8.140 361 HH12 ARG 57 2HH1 ARG 57 -7.967 -3.063 -8.763 362 HH21 ARG 57 1HH2 ARG 57 -5.156 -1.694 -7.209 363 HH22 ARG 57 2HH2 ARG 57 -5.757 -2.969 -8.230 364 H VAL 58 H VAL 58 -8.516 2.571 -2.272 365 HA VAL 58 HA VAL 58 -7.325 5.042 -3.368 366 HB VAL 58 HB VAL 58 -7.411 4.176 -0.465 367 HG11 VAL 58 1HG1 VAL 58 -6.376 6.703 -1.743 368 HG12 VAL 58 2HG1 VAL 58 -5.419 5.455 -0.946 369 HG13 VAL 58 3HG1 VAL 58 -6.541 6.440 -0.007 370 HG21 VAL 58 3HG2 VAL 58 -8.944 6.049 -0.119 371 HG22 VAL 58 1HG2 VAL 58 -9.616 4.861 -1.235 372 HG23 VAL 58 2HG2 VAL 58 -8.944 6.370 -1.853 373 H GLU 59 H GLU 59 -5.145 4.954 -3.795 374 HA GLU 59 HA GLU 59 -3.782 2.521 -2.891 375 HB2 GLU 59 2HB GLU 59 -2.177 2.867 -4.734 376 HB3 GLU 59 1HB GLU 59 -3.819 2.603 -5.291 377 HG2 GLU 59 2HG GLU 59 -4.063 4.995 -5.716 378 HG3 GLU 59 1HG GLU 59 -2.418 5.265 -5.135 379 H VAL 60 H VAL 60 -2.248 2.667 -1.471 380 HA VAL 60 HA VAL 60 -1.384 5.320 -0.597 381 HB VAL 60 HB VAL 60 -0.873 2.654 0.734 382 HG11 VAL 60 1HG1 VAL 60 0.653 4.382 1.443 383 HG12 VAL 60 2HG1 VAL 60 -0.492 4.023 2.736 384 HG13 VAL 60 3HG1 VAL 60 -0.695 5.476 1.758 385 HG21 VAL 60 3HG2 VAL 60 -3.087 4.628 1.266 386 HG22 VAL 60 1HG2 VAL 60 -2.734 3.195 2.229 387 HG23 VAL 60 2HG2 VAL 60 -3.270 3.023 0.557 388 H HIS 61 H HIS 61 0.579 6.062 -1.060 389 HA HIS 61 HA HIS 61 2.486 4.224 -2.316 390 HB2 HIS 61 2HB HIS 61 2.287 7.230 -2.328 391 HB3 HIS 61 1HB HIS 61 3.631 6.348 -3.040 392 HD1 HIS 61 1HD HIS 61 0.143 7.416 -3.709 393 HD2 HIS 61 2HD HIS 61 2.927 4.771 -5.333 394 HE1 HIS 61 1HE HIS 61 -0.745 6.791 -5.972 395 HE2 HIS 61 2HE HIS 61 0.831 5.032 -6.827 396 H LEU 62 H LEU 62 4.203 3.557 -1.283 397 HA LEU 62 HA LEU 62 4.941 4.898 1.239 398 HB2 LEU 62 2HB LEU 62 4.602 2.092 0.436 399 HB3 LEU 62 1HB LEU 62 6.049 2.407 1.372 400 HG LEU 62 HG LEU 62 4.882 2.841 3.295 401 HD11 LEU 62 1HD1 LEU 62 2.589 3.686 3.397 402 HD12 LEU 62 2HD1 LEU 62 2.486 3.637 1.638 403 HD13 LEU 62 3HD1 LEU 62 3.609 4.747 2.423 404 HD21 LEU 62 3HD2 LEU 62 3.023 1.292 3.496 405 HD22 LEU 62 1HD2 LEU 62 4.348 0.575 2.576 406 HD23 LEU 62 2HD2 LEU 62 2.917 1.181 1.738 407 H ASP 63 H ASP 63 7.122 5.135 1.763 408 HA ASP 63 HA ASP 63 8.892 5.329 -0.541 409 HB2 ASP 63 2HB ASP 63 8.810 7.266 0.895 410 HB3 ASP 63 1HB ASP 63 9.110 6.287 2.323 411 H ARG 64 H ARG 64 11.256 4.773 -0.022 412 HA ARG 64 HA ARG 64 11.708 2.106 -0.090 413 HB2 ARG 64 2HB ARG 64 13.707 3.757 1.381 414 HB3 ARG 64 1HB ARG 64 13.953 2.593 0.086 415 HG2 ARG 64 2HG ARG 64 13.513 4.126 -1.562 416 HG3 ARG 64 1HG ARG 64 12.536 5.146 -0.500 417 HD2 ARG 64 2HD ARG 64 15.533 4.840 -0.500 418 HD3 ARG 64 1HD ARG 64 14.601 6.279 -0.918 419 HE ARG 64 HE ARG 64 14.521 5.147 1.802 420 HH11 ARG 64 1HH1 ARG 64 14.983 7.876 -0.345 421 HH12 ARG 64 2HH1 ARG 64 15.251 8.998 0.953 422 HH21 ARG 64 1HH2 ARG 64 14.853 6.602 3.487 423 HH22 ARG 64 2HH2 ARG 64 15.183 8.278 3.128 424 H ASP 65 H ASP 65 11.918 4.119 2.840 425 HA ASP 65 HA ASP 65 12.484 1.794 4.492 426 HB2 ASP 65 2HB ASP 65 12.127 4.697 5.281 427 HB3 ASP 65 1HB ASP 65 12.749 3.415 6.312 428 H PHE 66 H PHE 66 9.810 2.389 3.155 429 HA PHE 66 HA PHE 66 7.625 2.023 3.551 430 HB2 PHE 66 2HB PHE 66 8.870 0.787 5.928 431 HB3 PHE 66 1HB PHE 66 7.152 1.163 6.057 432 HD1 PHE 66 2HD PHE 66 5.716 0.439 4.000 433 HD2 PHE 66 1HD PHE 66 9.483 -1.250 5.025 434 HE1 PHE 66 2HE PHE 66 5.158 -1.570 2.711 435 HE2 PHE 66 1HE PHE 66 8.930 -3.269 3.727 436 HZ PHE 66 HZ PHE 66 6.759 -3.423 2.574 437 H ARG 67 H ARG 67 8.930 4.581 4.184 438 HA ARG 67 HA ARG 67 7.261 5.742 6.232 439 HB2 ARG 67 2HB ARG 67 9.553 6.615 5.617 440 HB3 ARG 67 1HB ARG 67 8.865 7.172 4.099 441 HG2 ARG 67 2HG ARG 67 8.935 9.033 5.562 442 HG3 ARG 67 1HG ARG 67 7.243 8.538 5.442 443 HD2 ARG 67 2HD ARG 67 7.603 7.208 7.549 444 HD3 ARG 67 1HD ARG 67 9.169 8.005 7.693 445 HE ARG 67 HE ARG 67 6.585 9.431 7.723 446 HH11 ARG 67 1HH1 ARG 67 9.907 9.072 8.780 447 HH12 ARG 67 2HH1 ARG 67 9.810 10.361 9.942 448 HH21 ARG 67 1HH2 ARG 67 6.458 11.152 9.214 449 HH22 ARG 67 2HH2 ARG 67 7.846 11.552 10.182 450 H VAL 68 H VAL 68 5.200 6.362 5.922 451 HA VAL 68 HA VAL 68 3.897 6.036 3.448 452 HB VAL 68 HB VAL 68 2.654 5.846 5.528 453 HG11 VAL 68 1HG1 VAL 68 3.812 7.505 6.860 454 HG12 VAL 68 2HG1 VAL 68 2.074 7.815 6.866 455 HG13 VAL 68 3HG1 VAL 68 3.142 8.799 5.867 456 HG21 VAL 68 3HG2 VAL 68 1.683 8.131 3.817 457 HG22 VAL 68 1HG2 VAL 68 0.689 7.220 4.954 458 HG23 VAL 68 2HG2 VAL 68 1.385 6.414 3.548 459 H LEU 69 H LEU 69 3.846 7.289 1.723 460 HA LEU 69 HA LEU 69 4.979 9.956 1.876 461 HB2 LEU 69 2HB LEU 69 4.025 8.332 -0.482 462 HB3 LEU 69 1HB LEU 69 4.764 9.919 -0.596 463 HG LEU 69 HG LEU 69 6.111 7.444 0.489 464 HD11 LEU 69 1HD1 LEU 69 7.437 7.533 -1.552 465 HD12 LEU 69 2HD1 LEU 69 6.501 8.918 -2.112 466 HD13 LEU 69 3HD1 LEU 69 5.723 7.346 -1.925 467 HD21 LEU 69 3HD2 LEU 69 8.130 8.793 0.511 468 HD22 LEU 69 1HD2 LEU 69 6.895 9.536 1.528 469 HD23 LEU 69 2HD2 LEU 69 7.229 10.191 -0.075 470 H ASP 70 H ASP 70 1.996 8.507 0.551 471 HA ASP 70 HA ASP 70 0.320 10.542 1.579 472 HB2 ASP 70 2HB ASP 70 1.640 11.656 -0.406 473 HB3 ASP 70 1HB ASP 70 0.527 10.737 -1.412 474 H THR 71 H THR 71 -1.871 10.449 0.221 475 HA THR 71 HA THR 71 -2.400 7.694 -0.600 476 HB THR 71 HB THR 71 -4.507 7.766 0.843 477 HG1 THR 71 1HG THR 71 -3.565 10.171 1.415 478 HG21 THR 71 3HG2 THR 71 -2.603 6.316 1.365 479 HG22 THR 71 1HG2 THR 71 -3.358 6.936 2.832 480 HG23 THR 71 2HG2 THR 71 -1.843 7.634 2.257 481 H GLU 72 H GLU 72 -3.175 8.022 -2.600 482 HA GLU 72 HA GLU 72 -5.296 10.040 -2.912 483 HB2 GLU 72 2HB GLU 72 -4.668 9.975 -5.384 484 HB3 GLU 72 1HB GLU 72 -3.549 10.785 -4.298 485 HG2 GLU 72 2HG GLU 72 -3.099 7.916 -4.943 486 HG3 GLU 72 1HG GLU 72 -2.710 9.135 -6.155 487 HA PRO 73 HA PRO 73 -7.885 6.545 -3.866 488 HB2 PRO 73 2HB PRO 73 -10.114 7.952 -4.504 489 HB3 PRO 73 1HB PRO 73 -9.582 7.705 -2.837 490 HG2 PRO 73 2HG PRO 73 -9.259 10.095 -4.603 491 HG3 PRO 73 1HG PRO 73 -9.643 10.019 -2.874 492 HD2 PRO 73 2HD PRO 73 -7.147 10.565 -3.855 493 HD3 PRO 73 1HD PRO 73 -7.441 9.829 -2.269 494 H ALA 74 H ALA 74 -7.164 5.616 -5.715 495 HA ALA 74 HA ALA 74 -7.830 6.962 -8.240 496 HB1 ALA 74 1HB ALA 74 -5.531 5.083 -7.724 497 HB2 ALA 74 2HB ALA 74 -5.417 6.836 -7.893 498 HB3 ALA 74 3HB ALA 74 -5.924 5.848 -9.264 499 H ASP 75 H ASP 75 -9.816 6.019 -8.493 500 HA ASP 75 HA ASP 75 -10.037 3.122 -8.569 501 HB2 ASP 75 2HB ASP 75 -11.914 4.377 -7.642 502 HB3 ASP 75 1HB ASP 75 -12.058 5.312 -9.126 503 H GLY 76 H GLY 76 -10.051 1.931 -10.387 504 HA2 GLY 76 2HA GLY 76 -8.751 2.864 -12.660 505 HA3 GLY 76 1HA GLY 76 -9.657 1.365 -12.563 506 H ASP 77 H ASP 77 -9.496 4.450 -13.915 507 HA ASP 77 HA ASP 77 -12.302 4.505 -14.714 508 HB2 ASP 77 2HB ASP 77 -11.298 6.645 -14.161 509 HB3 ASP 77 1HB ASP 77 -9.978 6.358 -15.288 510 H GLY 78 H GLY 78 -9.091 3.999 -16.057 511 HA2 GLY 78 2HA GLY 78 -9.440 2.105 -17.853 512 HA3 GLY 78 1HA GLY 78 -10.233 3.434 -18.687 513 H GLY 79 H GLY 79 -9.028 5.112 -19.522 514 HA2 GLY 79 2HA GLY 79 -6.370 5.704 -18.977 515 HA3 GLY 79 1HA GLY 79 -6.357 4.519 -20.277 516 H LEU 80 H LEU 80 -5.383 6.212 -21.566 517 HA LEU 80 HA LEU 80 -6.997 8.469 -22.327 518 HB2 LEU 80 2HB LEU 80 -5.248 9.019 -23.878 519 HB3 LEU 80 1HB LEU 80 -4.517 8.567 -22.353 520 HG LEU 80 HG LEU 80 -4.746 6.636 -24.657 521 HD11 LEU 80 1HD1 LEU 80 -2.392 7.204 -25.151 522 HD12 LEU 80 2HD1 LEU 80 -2.509 8.551 -24.018 523 HD13 LEU 80 3HD1 LEU 80 -3.508 8.532 -25.471 524 HD21 LEU 80 3HD2 LEU 80 -2.923 5.487 -23.519 525 HD22 LEU 80 1HD2 LEU 80 -4.316 5.658 -22.450 526 HD23 LEU 80 2HD2 LEU 80 -2.917 6.717 -22.255 527 H GLU 81 H GLU 81 -7.766 8.819 -24.527 528 HA GLU 81 HA GLU 81 -8.167 6.472 -26.181 529 HB2 GLU 81 2HB GLU 81 -9.970 6.669 -24.251 530 HB3 GLU 81 1HB GLU 81 -10.660 7.891 -25.307 531 HG2 GLU 81 2HG GLU 81 -10.087 5.077 -26.195 532 HG3 GLU 81 1HG GLU 81 -11.624 5.586 -25.504
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