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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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617748 |
5l7m ![]() ![]() |
34005 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 1H ILE 1 1.283 12.710 41.005 2 H2 ILE 1 2H ILE 1 2.636 12.213 40.126 3 H3 ILE 1 3H ILE 1 1.099 12.103 39.438 4 HA ILE 1 HA ILE 1 0.861 14.466 39.425 5 HB ILE 1 HB ILE 1 2.903 15.882 39.985 6 HG12 ILE 1 2HG1 ILE 1 3.894 13.357 41.424 7 HG13 ILE 1 3HG1 ILE 1 4.607 14.022 39.961 8 HG21 ILE 1 1HG2 ILE 1 0.971 15.805 41.491 9 HG22 ILE 1 2HG2 ILE 1 2.468 15.944 42.412 10 HG23 ILE 1 3HG2 ILE 1 1.640 14.388 42.310 11 HD11 ILE 1 1HD1 ILE 1 4.523 15.387 42.652 12 HD12 ILE 1 2HD1 ILE 1 5.256 16.036 41.182 13 HD13 ILE 1 3HD1 ILE 1 5.912 14.580 41.928 14 H LEU 2 H LEU 2 1.043 12.730 37.476 15 HA LEU 2 HA LEU 2 3.364 12.926 35.808 16 HB2 LEU 2 2HB LEU 2 0.547 11.900 35.325 17 HB3 LEU 2 3HB LEU 2 1.714 11.997 34.018 18 HG LEU 2 HG LEU 2 3.229 10.455 35.388 19 HD11 LEU 2 1HD1 LEU 2 2.201 9.020 37.105 20 HD12 LEU 2 2HD1 LEU 2 0.754 10.033 37.074 21 HD13 LEU 2 3HD1 LEU 2 2.298 10.708 37.603 22 HD21 LEU 2 1HD2 LEU 2 0.572 9.320 34.466 23 HD22 LEU 2 2HD2 LEU 2 2.057 8.398 34.718 24 HD23 LEU 2 3HD2 LEU 2 1.992 9.629 33.460 25 H GLU 3 H GLU 3 3.671 14.190 34.016 26 HA GLU 3 HA GLU 3 1.843 16.485 33.562 27 HB2 GLU 3 2HB GLU 3 3.761 17.868 33.047 28 HB3 GLU 3 3HB GLU 3 4.042 17.121 34.610 29 HG2 GLU 3 2HG GLU 3 5.278 16.132 32.011 30 HG3 GLU 3 3HG GLU 3 6.057 17.283 33.093 31 H ALA 4 H ALA 4 2.227 17.428 31.272 32 HA ALA 4 HA ALA 4 1.385 15.623 29.339 33 HB1 ALA 4 1HB ALA 4 1.757 17.420 27.689 34 HB2 ALA 4 2HB ALA 4 2.736 18.306 28.865 35 HB3 ALA 4 3HB ALA 4 1.017 18.047 29.165 36 H HIS 5 H HIS 5 2.583 13.852 28.930 37 HA HIS 5 HA HIS 5 5.466 13.885 28.613 38 HB2 HIS 5 2HB HIS 5 3.405 11.648 28.397 39 HB3 HIS 5 3HB HIS 5 5.126 11.396 28.126 40 HD1 HIS 5 HD1 HIS 5 2.665 11.203 30.722 41 HD2 HIS 5 HD2 HIS 5 6.692 12.193 30.542 42 HE1 HIS 5 HE1 HIS 5 3.534 10.958 33.058 43 HE2 HIS 5 HE2 HIS 5 5.895 11.809 32.952 44 H TYR 6 H TYR 6 6.461 14.231 26.708 45 HA TYR 6 HA TYR 6 5.114 14.127 24.171 46 HB2 TYR 6 2HB TYR 6 7.056 15.668 24.585 47 HB3 TYR 6 3HB TYR 6 8.117 14.275 24.761 48 HD1 TYR 6 HD1 TYR 6 9.032 13.167 22.788 49 HD2 TYR 6 HD2 TYR 6 5.957 16.120 22.326 50 HE1 TYR 6 HE1 TYR 6 9.359 13.137 20.352 51 HE2 TYR 6 HE2 TYR 6 6.294 16.084 19.894 52 HH TYR 6 HH TYR 6 8.148 15.503 18.308 53 H THR 7 H THR 7 5.349 12.535 22.609 54 HA THR 7 HA THR 7 6.617 9.972 23.280 55 HB THR 7 HB THR 7 4.356 9.676 24.157 56 HG1 THR 7 HG1 THR 7 4.263 8.382 21.634 57 HG21 THR 7 1HG2 THR 7 2.322 9.919 22.769 58 HG22 THR 7 2HG2 THR 7 3.298 10.522 21.429 59 HG23 THR 7 3HG2 THR 7 3.168 11.465 22.916 60 H ASN 8 H ASN 8 6.716 8.535 21.393 61 HA ASN 8 HA ASN 8 7.291 9.829 18.930 62 HB2 ASN 8 2HB ASN 8 7.668 7.590 18.019 63 HB3 ASN 8 3HB ASN 8 8.394 7.703 19.615 64 HD21 ASN 8 1HD2 ASN 8 6.002 6.155 17.666 65 HD22 ASN 8 2HD2 ASN 8 5.497 4.981 18.828 66 H LEU 9 H LEU 9 6.037 10.066 17.111 67 HA LEU 9 HA LEU 9 3.394 8.897 16.858 68 HB2 LEU 9 2HB LEU 9 3.179 11.033 18.319 69 HB3 LEU 9 3HB LEU 9 3.624 11.944 16.887 70 HG LEU 9 HG LEU 9 1.580 10.986 15.719 71 HD11 LEU 9 1HD1 LEU 9 1.284 8.960 17.038 72 HD12 LEU 9 2HD1 LEU 9 -0.184 9.933 17.055 73 HD13 LEU 9 3HD1 LEU 9 0.879 9.918 18.468 74 HD21 LEU 9 1HD2 LEU 9 1.005 12.571 18.246 75 HD22 LEU 9 2HD2 LEU 9 -0.072 12.415 16.854 76 HD23 LEU 9 3HD2 LEU 9 1.478 13.233 16.677 77 H LYS 10 H LYS 10 2.417 9.581 14.723 78 HA LYS 10 HA LYS 10 4.363 10.345 12.658 79 HB2 LYS 10 2HB LYS 10 3.750 8.340 11.298 80 HB3 LYS 10 3HB LYS 10 4.545 7.896 12.802 81 HG2 LYS 10 2HG LYS 10 2.479 7.169 13.805 82 HG3 LYS 10 3HG LYS 10 1.520 7.866 12.493 83 HD2 LYS 10 2HD LYS 10 3.481 5.552 12.170 84 HD3 LYS 10 3HD LYS 10 1.733 5.371 12.350 85 HE2 LYS 10 2HE LYS 10 1.407 6.681 10.251 86 HE3 LYS 10 3HE LYS 10 3.158 6.795 10.065 87 HZ1 LYS 10 1HZ LYS 10 1.577 4.291 10.083 88 HZ2 LYS 10 2HZ LYS 10 3.257 4.405 9.925 89 HZ3 LYS 10 3HZ LYS 10 2.252 5.041 8.729 90 H CYS 11 H CYS 11 3.160 10.300 10.455 91 HA CYS 11 HA CYS 11 0.816 11.857 10.436 92 HB2 CYS 11 2HB CYS 11 0.744 11.140 7.984 93 HB3 CYS 11 3HB CYS 11 2.258 11.872 8.510 94 H ARG 12 H ARG 12 -1.132 11.164 11.150 95 HA ARG 12 HA ARG 12 -1.926 8.425 11.325 96 HB2 ARG 12 2HB ARG 12 -2.783 10.007 12.949 97 HB3 ARG 12 3HB ARG 12 -3.462 11.028 11.686 98 HG2 ARG 12 2HG ARG 12 -5.119 9.270 11.145 99 HG3 ARG 12 3HG ARG 12 -4.424 8.219 12.381 100 HD2 ARG 12 2HD ARG 12 -6.486 9.340 13.155 101 HD3 ARG 12 3HD ARG 12 -5.083 9.785 14.131 102 HE ARG 12 HE ARG 12 -5.232 11.763 12.246 103 HH11 ARG 12 1HH1 ARG 12 -7.544 10.501 14.586 104 HH12 ARG 12 2HH1 ARG 12 -8.357 12.021 14.770 105 HH21 ARG 12 1HH2 ARG 12 -6.281 13.749 12.528 106 HH22 ARG 12 2HH2 ARG 12 -7.640 13.871 13.598 107 H CYS 13 H CYS 13 -2.627 7.248 9.678 108 HA CYS 13 HA CYS 13 -3.493 8.350 7.147 109 HB2 CYS 13 2HB CYS 13 -2.099 6.287 7.238 110 HB3 CYS 13 3HB CYS 13 -3.393 5.449 8.087 111 H SER 14 H SER 14 -5.513 7.575 6.127 112 HA SER 14 HA SER 14 -7.904 7.927 7.473 113 HB2 SER 14 2HB SER 14 -8.894 6.648 5.501 114 HB3 SER 14 3HB SER 14 -7.825 7.975 5.058 115 HG SER 14 HG SER 14 -7.537 5.273 4.637 116 H GLY 15 H GLY 15 -6.173 4.875 6.746 117 HA2 GLY 15 2HA GLY 15 -6.816 3.669 9.232 118 HA3 GLY 15 3HA GLY 15 -7.854 3.018 7.965 119 H VAL 16 H VAL 16 -6.247 1.362 9.326 120 HA VAL 16 HA VAL 16 -4.217 0.477 7.336 121 HB VAL 16 HB VAL 16 -2.867 -0.520 9.144 122 HG11 VAL 16 1HG1 VAL 16 -2.318 1.796 8.518 123 HG12 VAL 16 2HG1 VAL 16 -1.991 1.524 10.230 124 HG13 VAL 16 3HG1 VAL 16 -3.438 2.411 9.736 125 HG21 VAL 16 1HG2 VAL 16 -3.361 -0.154 11.539 126 HG22 VAL 16 2HG2 VAL 16 -4.680 -1.028 10.761 127 HG23 VAL 16 3HG2 VAL 16 -4.854 0.693 11.118 128 H ILE 17 H ILE 17 -3.786 -2.003 7.698 129 HA ILE 17 HA ILE 17 -6.349 -3.395 8.235 130 HB ILE 17 HB ILE 17 -5.600 -5.059 6.361 131 HG12 ILE 17 2HG1 ILE 17 -4.398 -3.932 4.422 132 HG13 ILE 17 3HG1 ILE 17 -3.950 -2.625 5.497 133 HG21 ILE 17 1HG2 ILE 17 -6.799 -3.771 4.632 134 HG22 ILE 17 2HG2 ILE 17 -6.629 -2.303 5.597 135 HG23 ILE 17 3HG2 ILE 17 -7.598 -3.648 6.204 136 HD11 ILE 17 1HD1 ILE 17 -3.091 -5.503 5.764 137 HD12 ILE 17 2HD1 ILE 17 -2.569 -4.155 6.777 138 HD13 ILE 17 3HD1 ILE 17 -2.134 -4.194 5.070 139 H SER 18 H SER 18 -6.287 -5.338 9.231 140 HA SER 18 HA SER 18 -3.736 -6.412 10.221 141 HB2 SER 18 2HB SER 18 -5.250 -7.872 11.617 142 HB3 SER 18 3HB SER 18 -5.488 -6.148 11.884 143 HG SER 18 HG SER 18 -7.182 -8.012 10.687 144 H THR 19 H THR 19 -5.936 -6.928 7.662 145 HA THR 19 HA THR 19 -5.226 -9.753 7.233 146 HB THR 19 HB THR 19 -7.212 -7.978 5.726 147 HG1 THR 19 HG1 THR 19 -8.596 -8.395 7.242 148 HG21 THR 19 1HG2 THR 19 -8.195 -10.086 4.898 149 HG22 THR 19 2HG2 THR 19 -6.965 -11.014 5.760 150 HG23 THR 19 3HG2 THR 19 -6.499 -9.965 4.419 151 H VAL 20 H VAL 20 -4.035 -10.389 5.421 152 HA VAL 20 HA VAL 20 -2.359 -8.510 4.042 153 HB VAL 20 HB VAL 20 -2.922 -11.479 3.535 154 HG11 VAL 20 1HG1 VAL 20 -0.973 -11.502 1.987 155 HG12 VAL 20 2HG1 VAL 20 -0.866 -9.743 2.099 156 HG13 VAL 20 3HG1 VAL 20 -2.284 -10.498 1.366 157 HG21 VAL 20 1HG2 VAL 20 -0.645 -11.822 4.437 158 HG22 VAL 20 2HG2 VAL 20 -1.670 -11.004 5.613 159 HG23 VAL 20 3HG2 VAL 20 -0.475 -10.083 4.699 160 H VAL 21 H VAL 21 -2.870 -7.319 2.311 161 HA VAL 21 HA VAL 21 -5.513 -7.392 1.171 162 HB VAL 21 HB VAL 21 -3.147 -5.689 0.248 163 HG11 VAL 21 1HG1 VAL 21 -6.148 -5.241 -0.070 164 HG12 VAL 21 2HG1 VAL 21 -5.032 -5.708 -1.355 165 HG13 VAL 21 3HG1 VAL 21 -4.877 -4.126 -0.592 166 HG21 VAL 21 1HG2 VAL 21 -5.218 -5.018 2.374 167 HG22 VAL 21 2HG2 VAL 21 -3.964 -3.931 1.770 168 HG23 VAL 21 3HG2 VAL 21 -3.516 -5.380 2.667 169 H GLY 22 H GLY 22 -6.137 -8.169 -0.795 170 HA2 GLY 22 2HA GLY 22 -4.700 -10.176 -2.117 171 HA3 GLY 22 3HA GLY 22 -6.138 -9.370 -2.731 172 H LEU 23 H LEU 23 -3.014 -10.000 -3.440 173 HA LEU 23 HA LEU 23 -1.892 -7.735 -4.616 174 HB2 LEU 23 2HB LEU 23 -0.728 -9.857 -4.215 175 HB3 LEU 23 3HB LEU 23 -1.731 -10.678 -5.388 176 HG LEU 23 HG LEU 23 0.033 -8.407 -6.356 177 HD11 LEU 23 1HD1 LEU 23 1.095 -11.204 -5.817 178 HD12 LEU 23 2HD1 LEU 23 1.577 -9.725 -4.977 179 HD13 LEU 23 3HD1 LEU 23 1.941 -9.922 -6.690 180 HD21 LEU 23 1HD2 LEU 23 0.168 -9.772 -8.416 181 HD22 LEU 23 2HD2 LEU 23 -1.507 -9.464 -7.972 182 HD23 LEU 23 3HD2 LEU 23 -0.790 -11.043 -7.650 183 H ASN 24 H ASN 24 -4.463 -9.830 -5.769 184 HA ASN 24 HA ASN 24 -4.588 -8.820 -8.466 185 HB2 ASN 24 2HB ASN 24 -5.345 -11.129 -7.733 186 HB3 ASN 24 3HB ASN 24 -6.709 -10.380 -6.919 187 HD21 ASN 24 1HD2 ASN 24 -8.368 -9.446 -8.206 188 HD22 ASN 24 2HD2 ASN 24 -8.537 -9.838 -9.878 189 H ILE 25 H ILE 25 -6.063 -7.934 -5.358 190 HA ILE 25 HA ILE 25 -8.159 -6.316 -6.674 191 HB ILE 25 HB ILE 25 -9.289 -6.126 -4.590 192 HG12 ILE 25 2HG1 ILE 25 -6.845 -7.226 -3.112 193 HG13 ILE 25 3HG1 ILE 25 -7.329 -5.537 -3.136 194 HG21 ILE 25 1HG2 ILE 25 -9.602 -8.457 -3.855 195 HG22 ILE 25 2HG2 ILE 25 -8.094 -8.927 -4.648 196 HG23 ILE 25 3HG2 ILE 25 -9.462 -8.360 -5.611 197 HD11 ILE 25 1HD1 ILE 25 -8.900 -7.812 -1.918 198 HD12 ILE 25 2HD1 ILE 25 -9.413 -6.122 -1.976 199 HD13 ILE 25 3HD1 ILE 25 -7.975 -6.577 -1.065 200 H ILE 26 H ILE 26 -5.040 -5.740 -6.159 201 HA ILE 26 HA ILE 26 -5.076 -3.071 -5.044 202 HB ILE 26 HB ILE 26 -2.946 -4.345 -6.835 203 HG12 ILE 26 2HG1 ILE 26 -3.319 -5.743 -4.787 204 HG13 ILE 26 3HG1 ILE 26 -1.717 -5.034 -4.829 205 HG21 ILE 26 1HG2 ILE 26 -2.711 -1.903 -6.693 206 HG22 ILE 26 2HG2 ILE 26 -1.384 -2.690 -5.833 207 HG23 ILE 26 3HG2 ILE 26 -2.725 -1.983 -4.929 208 HD11 ILE 26 1HD1 ILE 26 -4.042 -4.182 -3.122 209 HD12 ILE 26 2HD1 ILE 26 -2.503 -3.319 -3.211 210 HD13 ILE 26 3HD1 ILE 26 -2.556 -4.976 -2.614 211 H ASP 27 H ASP 27 -5.369 -1.158 -6.170 212 HA ASP 27 HA ASP 27 -5.937 -1.296 -9.078 213 HB2 ASP 27 2HB ASP 27 -7.825 -0.502 -7.713 214 HB3 ASP 27 3HB ASP 27 -6.819 0.768 -7.019 215 H ARG 28 H ARG 28 -4.500 0.955 -6.658 216 HA ARG 28 HA ARG 28 -2.220 1.385 -8.431 217 HB2 ARG 28 2HB ARG 28 -2.369 3.735 -8.639 218 HB3 ARG 28 3HB ARG 28 -4.004 3.176 -8.975 219 HG2 ARG 28 2HG ARG 28 -4.709 3.828 -6.710 220 HG3 ARG 28 3HG ARG 28 -3.064 4.335 -6.325 221 HD2 ARG 28 2HD ARG 28 -3.246 6.023 -8.199 222 HD3 ARG 28 3HD ARG 28 -4.952 5.583 -8.343 223 HE ARG 28 HE ARG 28 -4.104 6.391 -5.687 224 HH11 ARG 28 1HH1 ARG 28 -5.499 7.493 -8.724 225 HH12 ARG 28 2HH1 ARG 28 -6.184 8.925 -8.024 226 HH21 ARG 28 1HH2 ARG 28 -4.963 8.318 -4.802 227 HH22 ARG 28 2HH2 ARG 28 -5.882 9.388 -5.814 228 H ILE 29 H ILE 29 -0.478 2.500 -7.430 229 HA ILE 29 HA ILE 29 -0.312 2.166 -4.489 230 HB ILE 29 HB ILE 29 1.853 1.954 -6.637 231 HG12 ILE 29 2HG1 ILE 29 0.693 -0.149 -4.741 232 HG13 ILE 29 3HG1 ILE 29 0.362 -0.028 -6.465 233 HG21 ILE 29 1HG2 ILE 29 3.445 1.395 -4.824 234 HG22 ILE 29 2HG2 ILE 29 2.197 1.727 -3.624 235 HG23 ILE 29 3HG2 ILE 29 2.811 3.030 -4.640 236 HD11 ILE 29 1HD1 ILE 29 2.948 -0.800 -5.133 237 HD12 ILE 29 2HD1 ILE 29 2.813 -0.436 -6.854 238 HD13 ILE 29 3HD1 ILE 29 1.904 -1.776 -6.170 239 H GLN 30 H GLN 30 -0.545 4.094 -3.597 240 HA GLN 30 HA GLN 30 0.605 6.554 -4.743 241 HB2 GLN 30 2HB GLN 30 -1.844 6.443 -4.079 242 HB3 GLN 30 3HB GLN 30 -1.342 6.185 -2.415 243 HG2 GLN 30 2HG GLN 30 -0.257 8.427 -2.432 244 HG3 GLN 30 3HG GLN 30 -0.832 8.668 -4.081 245 HE21 GLN 30 1HE2 GLN 30 -1.776 8.479 -0.717 246 HE22 GLN 30 2HE2 GLN 30 -3.366 9.129 -0.925 247 H VAL 31 H VAL 31 2.143 7.759 -3.491 248 HA VAL 31 HA VAL 31 3.490 6.197 -1.340 249 HB VAL 31 HB VAL 31 4.738 8.125 -3.353 250 HG11 VAL 31 1HG1 VAL 31 6.942 7.399 -2.455 251 HG12 VAL 31 2HG1 VAL 31 6.118 6.437 -1.223 252 HG13 VAL 31 3HG1 VAL 31 5.970 8.195 -1.214 253 HG21 VAL 31 1HG2 VAL 31 4.083 6.011 -4.428 254 HG22 VAL 31 2HG2 VAL 31 4.930 5.087 -3.185 255 HG23 VAL 31 3HG2 VAL 31 5.842 6.103 -4.306 256 H THR 32 H THR 32 3.825 7.157 0.598 257 HA THR 32 HA THR 32 3.494 10.092 0.890 258 HB THR 32 HB THR 32 3.254 8.012 3.116 259 HG1 THR 32 HG1 THR 32 1.208 7.802 2.641 260 HG21 THR 32 1HG2 THR 32 3.781 10.309 3.884 261 HG22 THR 32 2HG2 THR 32 2.145 9.843 4.351 262 HG23 THR 32 3HG2 THR 32 2.389 10.932 2.985 263 HA PRO 33 HA PRO 33 8.019 9.364 1.591 264 HB2 PRO 33 2HB PRO 33 8.881 11.845 0.809 265 HB3 PRO 33 3HB PRO 33 8.426 10.591 -0.368 266 HG2 PRO 33 2HG PRO 33 6.785 12.914 0.632 267 HG3 PRO 33 3HG PRO 33 7.019 12.339 -1.035 268 HD2 PRO 33 2HD PRO 33 4.810 11.692 0.423 269 HD3 PRO 33 3HD PRO 33 5.493 10.594 -0.797 270 HA PRO 34 HA PRO 34 8.600 11.296 5.652 271 HB2 PRO 34 2HB PRO 34 11.386 12.096 4.859 272 HB3 PRO 34 3HB PRO 34 10.847 11.076 6.209 273 HG2 PRO 34 2HG PRO 34 12.031 9.987 4.093 274 HG3 PRO 34 3HG PRO 34 10.664 9.172 4.886 275 HD2 PRO 34 2HD PRO 34 10.662 10.790 2.336 276 HD3 PRO 34 3HD PRO 34 9.850 9.247 2.692 277 H GLY 35 H GLY 35 8.566 13.331 6.671 278 HA2 GLY 35 2HA GLY 35 8.767 15.712 6.728 279 HA3 GLY 35 3HA GLY 35 8.822 15.759 4.978 280 H ASN 36 H ASN 36 6.469 13.699 5.223 281 HA ASN 36 HA ASN 36 4.315 15.658 5.021 282 HB2 ASN 36 2HB ASN 36 4.379 12.631 4.621 283 HB3 ASN 36 3HB ASN 36 2.974 13.642 4.306 284 HD21 ASN 36 1HD2 ASN 36 2.899 13.034 2.140 285 HD22 ASN 36 2HD2 ASN 36 4.063 13.573 0.983 286 H GLY 37 H GLY 37 5.520 15.087 7.731 287 HA2 GLY 37 2HA GLY 37 4.744 14.779 9.903 288 HA3 GLY 37 3HA GLY 37 3.219 14.165 9.278 289 H CYS 38 H CYS 38 5.448 12.580 7.558 290 HA CYS 38 HA CYS 38 5.240 10.161 9.197 291 HB2 CYS 38 2HB CYS 38 6.026 10.429 6.267 292 HB3 CYS 38 3HB CYS 38 5.530 8.962 7.113 293 HA PRO 39 HA PRO 39 9.800 10.626 9.852 294 HB2 PRO 39 2HB PRO 39 9.358 8.144 11.476 295 HB3 PRO 39 3HB PRO 39 10.095 9.685 11.961 296 HG2 PRO 39 2HG PRO 39 7.681 9.008 12.883 297 HG3 PRO 39 3HG PRO 39 8.047 10.690 12.428 298 HD2 PRO 39 2HD PRO 39 6.569 8.600 10.816 299 HD3 PRO 39 3HD PRO 39 6.124 10.297 11.125 300 H LYS 40 H LYS 40 7.819 8.057 8.651 301 HA LYS 40 HA LYS 40 10.081 6.730 7.272 302 HB2 LYS 40 2HB LYS 40 7.547 5.448 8.399 303 HB3 LYS 40 3HB LYS 40 8.803 4.600 7.504 304 HG2 LYS 40 2HG LYS 40 9.489 6.023 10.088 305 HG3 LYS 40 3HG LYS 40 8.704 4.448 10.134 306 HD2 LYS 40 2HD LYS 40 11.073 4.091 10.352 307 HD3 LYS 40 3HD LYS 40 10.589 3.512 8.764 308 HE2 LYS 40 2HE LYS 40 11.502 5.614 7.765 309 HE3 LYS 40 3HE LYS 40 12.031 6.115 9.373 310 HZ1 LYS 40 1HZ LYS 40 13.511 4.284 9.481 311 HZ2 LYS 40 2HZ LYS 40 13.774 5.047 7.997 312 HZ3 LYS 40 3HZ LYS 40 12.903 3.602 8.061 313 H THR 41 H THR 41 9.728 6.198 5.117 314 HA THR 41 HA THR 41 7.603 7.416 3.629 315 HB THR 41 HB THR 41 9.464 5.189 2.655 316 HG1 THR 41 HG1 THR 41 10.730 7.122 1.917 317 HG21 THR 41 1HG2 THR 41 7.617 5.778 1.106 318 HG22 THR 41 2HG2 THR 41 9.175 6.279 0.446 319 HG23 THR 41 3HG2 THR 41 8.102 7.477 1.172 320 H GLU 42 H GLU 42 5.536 6.556 3.605 321 HA GLU 42 HA GLU 42 5.194 3.624 3.934 322 HB2 GLU 42 2HB GLU 42 4.512 4.842 5.960 323 HB3 GLU 42 3HB GLU 42 3.409 5.843 5.020 324 HG2 GLU 42 2HG GLU 42 1.965 3.984 4.561 325 HG3 GLU 42 3HG GLU 42 3.156 2.828 5.155 326 H VAL 43 H VAL 43 3.723 2.587 2.688 327 HA VAL 43 HA VAL 43 2.997 3.909 0.178 328 HB VAL 43 HB VAL 43 3.004 0.964 0.992 329 HG11 VAL 43 1HG1 VAL 43 2.651 0.443 -1.417 330 HG12 VAL 43 2HG1 VAL 43 2.464 2.167 -1.757 331 HG13 VAL 43 3HG1 VAL 43 1.283 1.334 -0.742 332 HG21 VAL 43 1HG2 VAL 43 5.273 1.916 0.805 333 HG22 VAL 43 2HG2 VAL 43 4.906 2.522 -0.812 334 HG23 VAL 43 3HG2 VAL 43 4.977 0.783 -0.517 335 H VAL 44 H VAL 44 1.000 4.701 -0.026 336 HA VAL 44 HA VAL 44 -1.293 3.705 1.482 337 HB VAL 44 HB VAL 44 -1.122 5.967 -0.574 338 HG11 VAL 44 1HG1 VAL 44 -3.428 5.111 -0.361 339 HG12 VAL 44 2HG1 VAL 44 -3.300 6.733 0.323 340 HG13 VAL 44 3HG1 VAL 44 -3.359 5.326 1.391 341 HG21 VAL 44 1HG2 VAL 44 0.275 6.477 1.380 342 HG22 VAL 44 2HG2 VAL 44 -1.079 6.142 2.461 343 HG23 VAL 44 3HG2 VAL 44 -1.151 7.519 1.359 344 H ILE 45 H ILE 45 -2.403 2.011 0.635 345 HA ILE 45 HA ILE 45 -2.319 1.401 -2.222 346 HB ILE 45 HB ILE 45 -3.573 -0.155 0.084 347 HG12 ILE 45 2HG1 ILE 45 -0.961 -0.604 -1.434 348 HG13 ILE 45 3HG1 ILE 45 -1.126 -0.135 0.257 349 HG21 ILE 45 1HG2 ILE 45 -3.224 -1.010 -2.823 350 HG22 ILE 45 2HG2 ILE 45 -4.754 -0.613 -2.039 351 HG23 ILE 45 3HG2 ILE 45 -3.843 -2.029 -1.517 352 HD11 ILE 45 1HD1 ILE 45 -1.881 -2.785 -0.976 353 HD12 ILE 45 2HD1 ILE 45 -2.231 -2.319 0.693 354 HD13 ILE 45 3HD1 ILE 45 -0.566 -2.443 0.146 355 H TRP 46 H TRP 46 -3.879 2.042 -3.529 356 HA TRP 46 HA TRP 46 -6.651 2.480 -2.555 357 HB2 TRP 46 2HB TRP 46 -5.160 3.305 -5.088 358 HB3 TRP 46 3HB TRP 46 -6.913 3.411 -4.953 359 HD1 TRP 46 HD1 TRP 46 -3.762 4.863 -3.158 360 HE1 TRP 46 HE1 TRP 46 -4.365 7.222 -2.325 361 HE3 TRP 46 HE3 TRP 46 -8.684 4.984 -4.542 362 HZ2 TRP 46 HZ2 TRP 46 -6.608 8.925 -2.288 363 HZ3 TRP 46 HZ3 TRP 46 -9.990 7.026 -4.097 364 HH2 TRP 46 HH2 TRP 46 -8.970 8.959 -2.991 365 H THR 47 H THR 47 -7.865 0.686 -2.720 366 HA THR 47 HA THR 47 -7.052 -1.541 -4.449 367 HB THR 47 HB THR 47 -8.983 -2.751 -3.335 368 HG1 THR 47 HG1 THR 47 -9.111 -0.522 -1.606 369 HG21 THR 47 1HG2 THR 47 -7.960 -2.899 -1.092 370 HG22 THR 47 2HG2 THR 47 -7.024 -1.437 -1.408 371 HG23 THR 47 3HG2 THR 47 -6.714 -2.904 -2.342 372 H LYS 48 H LYS 48 -8.863 -2.738 -5.620 373 HA LYS 48 HA LYS 48 -10.169 -1.164 -7.573 374 HB2 LYS 48 2HB LYS 48 -10.313 -4.090 -6.792 375 HB3 LYS 48 3HB LYS 48 -11.393 -3.454 -8.025 376 HG2 LYS 48 2HG LYS 48 -8.354 -3.323 -8.175 377 HG3 LYS 48 3HG LYS 48 -9.351 -4.569 -8.945 378 HD2 LYS 48 2HD LYS 48 -10.535 -2.741 -10.224 379 HD3 LYS 48 3HD LYS 48 -9.403 -1.573 -9.531 380 HE2 LYS 48 2HE LYS 48 -8.640 -3.926 -11.301 381 HE3 LYS 48 3HE LYS 48 -8.774 -2.249 -11.832 382 HZ1 LYS 48 1HZ LYS 48 -6.483 -2.892 -11.389 383 HZ2 LYS 48 2HZ LYS 48 -6.860 -3.238 -9.778 384 HZ3 LYS 48 3HZ LYS 48 -6.980 -1.651 -10.355 385 H MET 49 H MET 49 -11.097 -2.221 -4.418 386 HA MET 49 HA MET 49 -13.942 -1.688 -4.691 387 HB2 MET 49 2HB MET 49 -12.226 -2.255 -2.233 388 HB3 MET 49 3HB MET 49 -13.986 -2.165 -2.238 389 HG2 MET 49 2HG MET 49 -13.337 -4.479 -2.238 390 HG3 MET 49 3HG MET 49 -14.036 -4.092 -3.811 391 HE1 MET 49 1HE MET 49 -13.072 -6.129 -5.115 392 HE2 MET 49 2HE MET 49 -12.485 -6.772 -3.579 393 HE3 MET 49 3HE MET 49 -11.407 -6.695 -4.971 394 H LYS 50 H LYS 50 -11.325 0.287 -4.593 395 HA LYS 50 HA LYS 50 -10.882 2.430 -4.249 396 HB2 LYS 50 2HB LYS 50 -13.893 2.656 -3.957 397 HB3 LYS 50 3HB LYS 50 -12.859 4.056 -3.744 398 HG2 LYS 50 2HG LYS 50 -13.700 4.144 -5.969 399 HG3 LYS 50 3HG LYS 50 -11.994 3.706 -6.073 400 HD2 LYS 50 2HD LYS 50 -12.625 1.338 -6.438 401 HD3 LYS 50 3HD LYS 50 -14.331 1.769 -6.299 402 HE2 LYS 50 2HE LYS 50 -12.421 2.747 -8.452 403 HE3 LYS 50 3HE LYS 50 -13.654 1.501 -8.650 404 HZ1 LYS 50 1HZ LYS 50 -15.349 3.187 -8.161 405 HZ2 LYS 50 2HZ LYS 50 -14.422 3.608 -9.508 406 HZ3 LYS 50 3HZ LYS 50 -14.147 4.366 -8.028 407 H LYS 51 H LYS 51 -11.124 0.396 -1.986 408 HA LYS 51 HA LYS 51 -11.383 1.926 0.438 409 HB2 LYS 51 2HB LYS 51 -11.586 -0.529 0.514 410 HB3 LYS 51 3HB LYS 51 -9.965 -0.711 -0.142 411 HG2 LYS 51 2HG LYS 51 -9.121 0.458 1.980 412 HG3 LYS 51 3HG LYS 51 -10.747 0.234 2.636 413 HD2 LYS 51 2HD LYS 51 -8.899 -1.997 1.666 414 HD3 LYS 51 3HD LYS 51 -9.142 -1.534 3.353 415 HE2 LYS 51 2HE LYS 51 -11.320 -2.599 1.508 416 HE3 LYS 51 3HE LYS 51 -10.446 -3.555 2.705 417 HZ1 LYS 51 1HZ LYS 51 -12.182 -1.214 3.289 418 HZ2 LYS 51 2HZ LYS 51 -11.353 -2.130 4.440 419 HZ3 LYS 51 3HZ LYS 51 -12.591 -2.833 3.532 420 H VAL 52 H VAL 52 -9.963 3.322 1.247 421 HA VAL 52 HA VAL 52 -7.258 3.627 0.086 422 HB VAL 52 HB VAL 52 -8.791 5.652 1.798 423 HG11 VAL 52 1HG1 VAL 52 -7.160 7.296 0.916 424 HG12 VAL 52 2HG1 VAL 52 -6.363 6.017 -0.005 425 HG13 VAL 52 3HG1 VAL 52 -6.336 5.981 1.760 426 HG21 VAL 52 1HG2 VAL 52 -10.084 5.258 -0.263 427 HG22 VAL 52 2HG2 VAL 52 -8.639 5.537 -1.239 428 HG23 VAL 52 3HG2 VAL 52 -9.337 6.856 -0.298 429 H ILE 53 H ILE 53 -5.716 2.711 1.307 430 HA ILE 53 HA ILE 53 -5.790 2.860 4.270 431 HB ILE 53 HB ILE 53 -4.774 0.431 4.224 432 HG12 ILE 53 2HG1 ILE 53 -6.314 0.345 1.583 433 HG13 ILE 53 3HG1 ILE 53 -4.560 0.342 1.714 434 HG21 ILE 53 1HG2 ILE 53 -6.879 0.895 5.321 435 HG22 ILE 53 2HG2 ILE 53 -7.033 -0.606 4.407 436 HG23 ILE 53 3HG2 ILE 53 -7.741 0.884 3.783 437 HD11 ILE 53 1HD1 ILE 53 -6.425 -1.804 2.710 438 HD12 ILE 53 2HD1 ILE 53 -4.666 -1.796 2.887 439 HD13 ILE 53 3HD1 ILE 53 -5.390 -1.858 1.283 440 H CYS 54 H CYS 54 -3.690 2.774 5.227 441 HA CYS 54 HA CYS 54 -1.391 3.005 3.361 442 HB2 CYS 54 2HB CYS 54 -1.557 4.178 6.160 443 HB3 CYS 54 3HB CYS 54 -0.322 4.486 4.939 444 H VAL 55 H VAL 55 -0.098 1.271 3.468 445 HA VAL 55 HA VAL 55 -0.067 -0.452 5.882 446 HB VAL 55 HB VAL 55 0.344 -2.377 4.472 447 HG11 VAL 55 1HG1 VAL 55 -2.020 -1.728 4.700 448 HG12 VAL 55 2HG1 VAL 55 -1.726 -2.512 3.148 449 HG13 VAL 55 3HG1 VAL 55 -1.911 -0.758 3.228 450 HG21 VAL 55 1HG2 VAL 55 1.811 -1.318 2.772 451 HG22 VAL 55 2HG2 VAL 55 0.404 -0.549 2.034 452 HG23 VAL 55 3HG2 VAL 55 0.554 -2.307 2.032 453 H ASN 56 H ASN 56 2.012 -1.574 6.254 454 HA ASN 56 HA ASN 56 4.198 0.209 6.337 455 HB2 ASN 56 2HB ASN 56 4.060 -2.796 6.836 456 HB3 ASN 56 3HB ASN 56 5.515 -1.846 7.110 457 HD21 ASN 56 1HD2 ASN 56 2.214 -0.735 7.897 458 HD22 ASN 56 2HD2 ASN 56 2.465 -0.738 9.599 459 HA PRO 57 HA PRO 57 5.755 -0.195 2.176 460 HB2 PRO 57 2HB PRO 57 8.363 0.662 2.524 461 HB3 PRO 57 3HB PRO 57 6.967 1.765 2.586 462 HG2 PRO 57 2HG PRO 57 8.408 0.442 4.897 463 HG3 PRO 57 3HG PRO 57 7.971 2.154 4.686 464 HD2 PRO 57 2HD PRO 57 6.424 0.575 6.188 465 HD3 PRO 57 3HD PRO 57 5.675 1.770 5.099 466 H ARG 58 H ARG 58 7.538 -1.689 4.818 467 HA ARG 58 HA ARG 58 8.902 -3.572 3.011 468 HB2 ARG 58 2HB ARG 58 9.444 -2.758 5.888 469 HB3 ARG 58 3HB ARG 58 10.284 -4.089 5.093 470 HG2 ARG 58 2HG ARG 58 11.074 -2.454 3.341 471 HG3 ARG 58 3HG ARG 58 10.373 -1.148 4.306 472 HD2 ARG 58 2HD ARG 58 12.778 -1.348 4.743 473 HD3 ARG 58 3HD ARG 58 11.857 -1.764 6.191 474 HE ARG 58 HE ARG 58 12.589 -4.032 4.531 475 HH11 ARG 58 1HH1 ARG 58 13.604 -2.012 7.228 476 HH12 ARG 58 2HH1 ARG 58 14.688 -3.198 7.869 477 HH21 ARG 58 1HH2 ARG 58 14.040 -5.559 5.378 478 HH22 ARG 58 2HH2 ARG 58 14.934 -5.212 6.819 479 H ALA 59 H ALA 59 5.991 -3.676 3.943 480 HA ALA 59 HA ALA 59 5.675 -6.063 5.457 481 HB1 ALA 59 1HB ALA 59 3.389 -6.159 4.442 482 HB2 ALA 59 2HB ALA 59 3.830 -4.814 3.392 483 HB3 ALA 59 3HB ALA 59 3.778 -4.582 5.133 484 H LYS 60 H LYS 60 5.740 -8.166 4.865 485 HA LYS 60 HA LYS 60 7.609 -8.921 2.943 486 HB2 LYS 60 2HB LYS 60 7.202 -10.118 5.042 487 HB3 LYS 60 3HB LYS 60 5.598 -10.599 4.496 488 HG2 LYS 60 2HG LYS 60 6.610 -11.996 2.733 489 HG3 LYS 60 3HG LYS 60 8.226 -11.503 3.257 490 HD2 LYS 60 2HD LYS 60 7.957 -12.622 5.387 491 HD3 LYS 60 3HD LYS 60 6.237 -12.902 5.092 492 HE2 LYS 60 2HE LYS 60 8.513 -14.160 3.516 493 HE3 LYS 60 3HE LYS 60 7.579 -14.963 4.780 494 HZ1 LYS 60 1HZ LYS 60 5.583 -14.633 3.418 495 HZ2 LYS 60 2HZ LYS 60 6.746 -15.570 2.631 496 HZ3 LYS 60 3HZ LYS 60 6.526 -13.952 2.189 497 H TRP 61 H TRP 61 4.092 -8.970 2.745 498 HA TRP 61 HA TRP 61 3.964 -10.401 0.241 499 HB2 TRP 61 2HB TRP 61 1.514 -9.813 0.330 500 HB3 TRP 61 3HB TRP 61 2.104 -10.671 1.744 501 HD1 TRP 61 HD1 TRP 61 2.180 -9.308 4.076 502 HE1 TRP 61 HE1 TRP 61 0.977 -7.182 4.863 503 HE3 TRP 61 HE3 TRP 61 0.633 -7.508 -0.462 504 HZ2 TRP 61 HZ2 TRP 61 -0.426 -5.031 3.739 505 HZ3 TRP 61 HZ3 TRP 61 -0.641 -5.401 -0.513 506 HH2 TRP 61 HH2 TRP 61 -1.157 -4.193 1.551 507 H LEU 62 H LEU 62 4.016 -7.019 1.225 508 HA LEU 62 HA LEU 62 3.119 -5.866 -1.230 509 HB2 LEU 62 2HB LEU 62 3.001 -4.755 1.010 510 HB3 LEU 62 3HB LEU 62 4.751 -4.579 0.978 511 HG LEU 62 HG LEU 62 4.368 -3.218 -1.230 512 HD11 LEU 62 1HD1 LEU 62 2.200 -2.121 -1.479 513 HD12 LEU 62 2HD1 LEU 62 1.561 -3.039 -0.113 514 HD13 LEU 62 3HD1 LEU 62 2.028 -3.871 -1.591 515 HD21 LEU 62 1HD2 LEU 62 5.148 -2.127 0.766 516 HD22 LEU 62 2HD2 LEU 62 3.519 -2.075 1.436 517 HD23 LEU 62 3HD2 LEU 62 3.918 -1.125 0.005 518 H GLN 63 H GLN 63 6.164 -7.086 -0.158 519 HA GLN 63 HA GLN 63 8.084 -5.694 -1.597 520 HB2 GLN 63 2HB GLN 63 7.951 -8.688 -1.023 521 HB3 GLN 63 3HB GLN 63 9.394 -7.859 -1.598 522 HG2 GLN 63 2HG GLN 63 9.516 -6.551 0.454 523 HG3 GLN 63 3HG GLN 63 8.002 -7.246 1.028 524 HE21 GLN 63 1HE2 GLN 63 8.611 -9.976 0.177 525 HE22 GLN 63 2HE2 GLN 63 9.834 -10.558 1.246 526 H ARG 64 H ARG 64 5.854 -8.193 -2.751 527 HA ARG 64 HA ARG 64 7.023 -8.541 -5.352 528 HB2 ARG 64 2HB ARG 64 4.273 -9.322 -4.299 529 HB3 ARG 64 3HB ARG 64 4.903 -9.790 -5.881 530 HG2 ARG 64 2HG ARG 64 6.811 -10.949 -4.681 531 HG3 ARG 64 3HG ARG 64 5.975 -10.624 -3.157 532 HD2 ARG 64 2HD ARG 64 4.030 -11.936 -3.961 533 HD3 ARG 64 3HD ARG 64 4.875 -12.251 -5.484 534 HE ARG 64 HE ARG 64 5.927 -13.159 -2.869 535 HH11 ARG 64 1HH1 ARG 64 5.066 -13.934 -6.197 536 HH12 ARG 64 2HH1 ARG 64 5.689 -15.548 -6.100 537 HH21 ARG 64 1HH2 ARG 64 6.735 -15.275 -2.778 538 HH22 ARG 64 2HH2 ARG 64 6.632 -16.308 -4.169 539 H LEU 65 H LEU 65 4.628 -6.408 -3.985 540 HA LEU 65 HA LEU 65 3.520 -5.426 -6.452 541 HB2 LEU 65 2HB LEU 65 3.363 -4.596 -3.552 542 HB3 LEU 65 3HB LEU 65 2.770 -3.504 -4.768 543 HG LEU 65 HG LEU 65 0.921 -4.719 -3.763 544 HD11 LEU 65 1HD1 LEU 65 0.757 -4.102 -6.160 545 HD12 LEU 65 2HD1 LEU 65 -0.237 -5.479 -5.707 546 HD13 LEU 65 3HD1 LEU 65 1.260 -5.741 -6.595 547 HD21 LEU 65 1HD2 LEU 65 2.211 -7.300 -4.710 548 HD22 LEU 65 2HD2 LEU 65 0.616 -7.146 -3.971 549 HD23 LEU 65 3HD2 LEU 65 2.054 -6.764 -3.035 550 H LEU 66 H LEU 66 6.046 -4.404 -4.206 551 HA LEU 66 HA LEU 66 6.811 -2.000 -5.549 552 HB2 LEU 66 2HB LEU 66 8.434 -3.773 -3.677 553 HB3 LEU 66 3HB LEU 66 8.825 -2.114 -4.114 554 HG LEU 66 HG LEU 66 6.426 -3.014 -2.458 555 HD11 LEU 66 1HD1 LEU 66 8.518 -3.178 -1.215 556 HD12 LEU 66 2HD1 LEU 66 7.515 -1.872 -0.589 557 HD13 LEU 66 3HD1 LEU 66 8.910 -1.500 -1.607 558 HD21 LEU 66 1HD2 LEU 66 5.812 -1.055 -3.784 559 HD22 LEU 66 2HD2 LEU 66 7.248 -0.192 -3.229 560 HD23 LEU 66 3HD2 LEU 66 5.970 -0.618 -2.086 561 H ARG 67 H ARG 67 7.674 -5.398 -5.864 562 HA ARG 67 HA ARG 67 9.785 -4.993 -7.798 563 HB2 ARG 67 2HB ARG 67 9.798 -6.938 -6.264 564 HB3 ARG 67 3HB ARG 67 8.277 -7.501 -6.935 565 HG2 ARG 67 2HG ARG 67 10.113 -8.862 -7.771 566 HG3 ARG 67 3HG ARG 67 9.393 -7.953 -9.098 567 HD2 ARG 67 2HD ARG 67 11.258 -6.354 -9.052 568 HD3 ARG 67 3HD ARG 67 11.956 -7.178 -7.654 569 HE ARG 67 HE ARG 67 11.802 -9.140 -9.524 570 HH11 ARG 67 1HH1 ARG 67 13.229 -5.924 -9.604 571 HH12 ARG 67 2HH1 ARG 67 14.451 -6.360 -10.747 572 HH21 ARG 67 1HH2 ARG 67 13.431 -9.699 -11.030 573 HH22 ARG 67 2HH2 ARG 67 14.567 -8.502 -11.555 574 H HIS 68 H HIS 68 6.309 -5.312 -7.886 575 HA HIS 68 HA HIS 68 6.011 -6.173 -10.604 576 HB2 HIS 68 2HB HIS 68 4.240 -6.481 -8.862 577 HB3 HIS 68 3HB HIS 68 3.993 -4.741 -8.819 578 HD1 HIS 68 HD1 HIS 68 1.846 -4.244 -9.975 579 HD2 HIS 68 HD2 HIS 68 3.935 -7.285 -11.886 580 HE1 HIS 68 HE1 HIS 68 0.451 -4.886 -11.958 581 HE2 HIS 68 HE2 HIS 68 1.742 -6.718 -13.109 582 H VAL 69 H VAL 69 6.143 -3.004 -9.017 583 HA VAL 69 HA VAL 69 5.255 -1.473 -11.267 584 HB VAL 69 HB VAL 69 6.007 0.550 -10.081 585 HG11 VAL 69 1HG1 VAL 69 4.551 0.390 -8.109 586 HG12 VAL 69 2HG1 VAL 69 4.550 -1.370 -8.235 587 HG13 VAL 69 3HG1 VAL 69 3.822 -0.394 -9.512 588 HG21 VAL 69 1HG2 VAL 69 8.106 -0.285 -9.063 589 HG22 VAL 69 2HG2 VAL 69 7.178 -1.281 -7.940 590 HG23 VAL 69 3HG2 VAL 69 7.067 0.476 -7.857 591 H GLN 70 H GLN 70 8.402 -2.619 -10.246 592 HA GLN 70 HA GLN 70 9.795 -1.106 -12.363 593 HB2 GLN 70 2HB GLN 70 11.869 -1.940 -11.351 594 HB3 GLN 70 3HB GLN 70 10.857 -1.185 -10.127 595 HG2 GLN 70 2HG GLN 70 10.144 -3.441 -9.357 596 HG3 GLN 70 3HG GLN 70 11.204 -4.172 -10.561 597 HE21 GLN 70 1HE2 GLN 70 12.016 -1.326 -8.593 598 HE22 GLN 70 2HE2 GLN 70 13.273 -2.099 -7.699 599 H SER 71 H SER 71 11.182 -2.282 -13.871 600 HA SER 71 HA SER 71 9.952 -4.605 -15.018 601 HB2 SER 71 2HB SER 71 11.019 -2.878 -16.438 602 HB3 SER 71 3HB SER 71 12.590 -3.228 -15.717 603 HG SER 71 HG SER 71 12.331 -4.306 -17.700 604 H LYS 72 H LYS 72 10.603 -6.712 -14.917 605 HA LYS 72 HA LYS 72 12.705 -7.497 -13.012 606 HB2 LYS 72 2HB LYS 72 10.622 -9.157 -14.509 607 HB3 LYS 72 3HB LYS 72 11.759 -9.800 -13.324 608 HG2 LYS 72 2HG LYS 72 10.729 -8.470 -11.551 609 HG3 LYS 72 3HG LYS 72 9.650 -7.693 -12.719 610 HD2 LYS 72 2HD LYS 72 8.636 -9.933 -13.212 611 HD3 LYS 72 3HD LYS 72 9.665 -10.655 -11.970 612 HE2 LYS 72 2HE LYS 72 8.554 -9.379 -10.236 613 HE3 LYS 72 3HE LYS 72 7.652 -8.442 -11.430 614 HZ1 LYS 72 1HZ LYS 72 6.283 -10.158 -10.454 615 HZ2 LYS 72 2HZ LYS 72 7.373 -11.356 -10.941 616 HZ3 LYS 72 3HZ LYS 72 6.523 -10.469 -12.100 617 H SER 73 H SER 73 11.689 -8.261 -16.340 618 HA SER 73 HA SER 73 14.287 -8.059 -17.487 619 HB2 SER 73 2HB SER 73 14.471 -10.297 -16.283 620 HB3 SER 73 3HB SER 73 13.163 -10.899 -17.295 621 HG SER 73 HG SER 73 15.814 -10.544 -17.872 622 H LEU 74 H LEU 74 14.022 -9.396 -19.821 623 HA LEU 74 HA LEU 74 11.307 -9.349 -20.845 624 HB2 LEU 74 2HB LEU 74 12.206 -6.967 -21.024 625 HB3 LEU 74 3HB LEU 74 13.413 -7.561 -22.144 626 HG LEU 74 HG LEU 74 10.459 -7.937 -22.755 627 HD11 LEU 74 1HD1 LEU 74 12.006 -5.412 -23.395 628 HD12 LEU 74 2HD1 LEU 74 10.658 -5.557 -22.265 629 HD13 LEU 74 3HD1 LEU 74 10.390 -5.817 -23.986 630 HD21 LEU 74 1HD2 LEU 74 12.845 -7.589 -24.610 631 HD22 LEU 74 2HD2 LEU 74 11.176 -7.899 -25.106 632 HD23 LEU 74 3HD2 LEU 74 12.065 -9.123 -24.205 633 H SER 75 H SER 75 11.056 -10.863 -22.398 634 HA SER 75 HA SER 75 13.304 -11.851 -23.983 635 HB2 SER 75 2HB SER 75 13.242 -13.268 -21.885 636 HB3 SER 75 3HB SER 75 11.612 -13.771 -22.318 637 HG SER 75 HG SER 75 14.062 -14.376 -23.534 638 H SER 76 H SER 76 12.632 -12.870 -25.905 639 HA SER 76 HA SER 76 9.808 -13.248 -26.535 640 HB2 SER 76 2HB SER 76 9.965 -11.689 -28.544 641 HB3 SER 76 3HB SER 76 10.003 -10.857 -26.990 642 HG SER 76 HG SER 76 12.341 -10.924 -27.222 643 H THR 77 H THR 77 9.515 -14.580 -28.368 644 HA THR 77 HA THR 77 11.947 -15.830 -29.520 645 HB THR 77 HB THR 77 9.177 -17.052 -29.111 646 HG1 THR 77 HG1 THR 77 11.597 -17.134 -27.688 647 HG21 THR 77 1HG2 THR 77 11.736 -18.365 -30.125 648 HG22 THR 77 2HG2 THR 77 10.307 -18.024 -31.107 649 HG23 THR 77 3HG2 THR 77 10.220 -19.197 -29.788 650 HA PRO 78 HA PRO 78 10.007 -14.138 -33.372 651 HB2 PRO 78 2HB PRO 78 12.268 -13.136 -34.514 652 HB3 PRO 78 3HB PRO 78 11.367 -12.230 -33.279 653 HG2 PRO 78 2HG PRO 78 13.901 -13.812 -32.974 654 HG3 PRO 78 3HG PRO 78 13.451 -12.253 -32.246 655 HD2 PRO 78 2HD PRO 78 13.271 -14.703 -30.934 656 HD3 PRO 78 3HD PRO 78 12.345 -13.258 -30.484 657 H GLN 79 H GLN 79 9.529 -15.993 -34.448 658 HA GLN 79 HA GLN 79 11.606 -17.372 -35.972 659 HB2 GLN 79 2HB GLN 79 11.492 -18.700 -33.888 660 HB3 GLN 79 3HB GLN 79 9.746 -18.859 -34.050 661 HG2 GLN 79 2HG GLN 79 10.065 -20.197 -36.113 662 HG3 GLN 79 3HG GLN 79 11.812 -20.020 -35.961 663 HE21 GLN 79 1HE2 GLN 79 12.101 -22.279 -35.857 664 HE22 GLN 79 2HE2 GLN 79 11.680 -23.195 -34.454 665 H ALA 80 H ALA 80 10.871 -17.842 -37.971 666 HA ALA 80 HA ALA 80 8.182 -17.378 -38.825 667 HB1 ALA 80 1HB ALA 80 8.991 -18.231 -41.018 668 HB2 ALA 80 2HB ALA 80 10.503 -18.735 -40.252 669 HB3 ALA 80 3HB ALA 80 10.086 -17.023 -40.339 670 HA PRO 81 HA PRO 81 6.508 -21.514 -37.719 671 HB2 PRO 81 2HB PRO 81 4.733 -21.006 -40.115 672 HB3 PRO 81 3HB PRO 81 4.292 -21.517 -38.469 673 HG2 PRO 81 2HG PRO 81 3.852 -19.016 -39.223 674 HG3 PRO 81 3HG PRO 81 4.472 -19.359 -37.591 675 HD2 PRO 81 2HD PRO 81 5.973 -18.326 -39.993 676 HD3 PRO 81 3HD PRO 81 6.121 -17.873 -38.281 677 H VAL 82 H VAL 82 8.175 -22.897 -38.274 678 HA VAL 82 HA VAL 82 8.947 -23.527 -40.939 679 HB VAL 82 HB VAL 82 10.540 -23.925 -39.105 680 HG11 VAL 82 1HG1 VAL 82 8.735 -26.191 -38.193 681 HG12 VAL 82 2HG1 VAL 82 9.195 -24.769 -37.260 682 HG13 VAL 82 3HG1 VAL 82 10.403 -25.981 -37.662 683 HG21 VAL 82 1HG2 VAL 82 11.444 -26.091 -39.880 684 HG22 VAL 82 2HG2 VAL 82 10.848 -25.123 -41.228 685 HG23 VAL 82 3HG2 VAL 82 9.887 -26.476 -40.628 686 H SER 83 H SER 83 7.124 -23.909 -42.080 687 HA SER 83 HA SER 83 5.286 -26.080 -41.360 688 HB2 SER 83 2HB SER 83 4.460 -23.777 -42.047 689 HB3 SER 83 3HB SER 83 5.107 -24.082 -43.650 690 HG SER 83 HG SER 83 2.956 -25.347 -42.346 691 H LYS 84 H LYS 84 6.610 -27.860 -41.779 692 HA LYS 84 HA LYS 84 8.005 -28.218 -44.296 693 HB2 LYS 84 2HB LYS 84 7.575 -30.123 -41.952 694 HB3 LYS 84 3HB LYS 84 8.582 -30.481 -43.355 695 HG2 LYS 84 2HG LYS 84 10.098 -28.629 -42.745 696 HG3 LYS 84 3HG LYS 84 9.075 -28.245 -41.351 697 HD2 LYS 84 2HD LYS 84 9.556 -30.478 -40.375 698 HD3 LYS 84 3HD LYS 84 10.532 -30.894 -41.788 699 HE2 LYS 84 2HE LYS 84 11.157 -28.637 -39.848 700 HE3 LYS 84 3HE LYS 84 11.910 -30.230 -39.819 701 HZ1 LYS 84 1HZ LYS 84 12.088 -28.264 -42.042 702 HZ2 LYS 84 2HZ LYS 84 12.798 -29.797 -42.037 703 HZ3 LYS 84 3HZ LYS 84 13.309 -28.625 -40.930 704 H ARG 85 H ARG 85 5.890 -27.868 -45.498 705 HA ARG 85 HA ARG 85 3.964 -29.936 -45.616 706 HB2 ARG 85 2HB ARG 85 3.138 -28.987 -47.657 707 HB3 ARG 85 3HB ARG 85 3.552 -27.670 -46.575 708 HG2 ARG 85 2HG ARG 85 5.576 -27.185 -47.912 709 HG3 ARG 85 3HG ARG 85 5.234 -28.571 -48.951 710 HD2 ARG 85 2HD ARG 85 3.521 -26.074 -48.652 711 HD3 ARG 85 3HD ARG 85 4.524 -26.498 -50.044 712 HE ARG 85 HE ARG 85 2.779 -28.617 -49.702 713 HH11 ARG 85 1HH1 ARG 85 2.434 -25.188 -50.417 714 HH12 ARG 85 2HH1 ARG 85 0.962 -25.397 -51.302 715 HH21 ARG 85 1HH2 ARG 85 0.858 -28.868 -50.859 716 HH22 ARG 85 2HH2 ARG 85 0.068 -27.490 -51.552 717 H ARG 86 H ARG 86 4.179 -31.953 -46.317 718 HA ARG 86 HA ARG 86 6.015 -32.776 -48.386 719 HB2 ARG 86 2HB ARG 86 7.549 -32.458 -46.456 720 HB3 ARG 86 3HB ARG 86 6.564 -33.528 -45.472 721 HG2 ARG 86 2HG ARG 86 8.599 -34.651 -46.251 722 HG3 ARG 86 3HG ARG 86 7.162 -35.436 -46.909 723 HD2 ARG 86 2HD ARG 86 8.958 -35.227 -48.588 724 HD3 ARG 86 3HD ARG 86 7.512 -34.334 -49.065 725 HE ARG 86 HE ARG 86 9.267 -32.593 -47.697 726 HH11 ARG 86 1HH1 ARG 86 9.069 -34.290 -50.783 727 HH12 ARG 86 2HH1 ARG 86 10.030 -33.115 -51.620 728 HH21 ARG 86 1HH2 ARG 86 10.484 -31.045 -48.844 729 HH22 ARG 86 2HH2 ARG 86 10.823 -31.285 -50.523 730 H ALA 87 H ALA 87 4.243 -33.717 -49.334 731 HA ALA 87 HA ALA 87 2.759 -35.850 -47.999 732 HB1 ALA 87 1HB ALA 87 1.564 -36.051 -50.140 733 HB2 ALA 87 2HB ALA 87 2.679 -34.911 -50.894 734 HB3 ALA 87 3HB ALA 87 1.606 -34.366 -49.606 735 H ALA 88 H ALA 88 5.222 -35.405 -50.467 736 HA ALA 88 HA ALA 88 6.695 -37.716 -49.934 737 HB1 ALA 88 1HB ALA 88 6.316 -39.019 -52.027 738 HB2 ALA 88 2HB ALA 88 4.977 -37.947 -52.452 739 HB3 ALA 88 3HB ALA 88 4.870 -38.968 -51.016 Start of MODEL 2 1 H1 ILE 1 1H ILE 1 -15.829 20.350 32.255 2 H2 ILE 1 2H ILE 1 -16.345 19.338 31.007 3 H3 ILE 1 3H ILE 1 -15.677 20.846 30.646 4 HA ILE 1 HA ILE 1 -13.551 20.186 31.468 5 HB ILE 1 HB ILE 1 -14.931 17.529 32.088 6 HG12 ILE 1 2HG1 ILE 1 -15.285 19.248 33.834 7 HG13 ILE 1 3HG1 ILE 1 -14.257 17.959 34.452 8 HG21 ILE 1 1HG2 ILE 1 -12.736 16.657 32.870 9 HG22 ILE 1 2HG2 ILE 1 -11.952 18.128 32.291 10 HG23 ILE 1 3HG2 ILE 1 -12.716 17.029 31.144 11 HD11 ILE 1 1HD1 ILE 1 -12.281 19.402 34.063 12 HD12 ILE 1 2HD1 ILE 1 -13.445 20.102 35.189 13 HD13 ILE 1 3HD1 ILE 1 -13.367 20.688 33.529 14 H LEU 2 H LEU 2 -12.083 19.458 29.924 15 HA LEU 2 HA LEU 2 -12.977 17.942 27.579 16 HB2 LEU 2 2HB LEU 2 -12.073 19.587 25.994 17 HB3 LEU 2 3HB LEU 2 -13.386 20.290 26.913 18 HG LEU 2 HG LEU 2 -10.499 20.840 27.722 19 HD11 LEU 2 1HD1 LEU 2 -10.478 22.865 26.331 20 HD12 LEU 2 2HD1 LEU 2 -12.032 22.421 25.624 21 HD13 LEU 2 3HD1 LEU 2 -10.610 21.414 25.337 22 HD21 LEU 2 1HD2 LEU 2 -11.426 22.921 28.652 23 HD22 LEU 2 2HD2 LEU 2 -12.258 21.526 29.318 24 HD23 LEU 2 3HD2 LEU 2 -13.034 22.492 28.066 25 H GLU 3 H GLU 3 -11.260 16.961 26.481 26 HA GLU 3 HA GLU 3 -8.802 16.638 28.008 27 HB2 GLU 3 2HB GLU 3 -8.206 14.840 26.483 28 HB3 GLU 3 3HB GLU 3 -9.857 14.620 27.015 29 HG2 GLU 3 2HG GLU 3 -9.052 15.706 24.306 30 HG3 GLU 3 3HG GLU 3 -9.489 14.031 24.632 31 H ALA 4 H ALA 4 -6.842 17.435 27.453 32 HA ALA 4 HA ALA 4 -6.619 19.652 25.650 33 HB1 ALA 4 1HB ALA 4 -4.239 19.648 26.345 34 HB2 ALA 4 2HB ALA 4 -4.456 18.072 27.110 35 HB3 ALA 4 3HB ALA 4 -5.302 19.485 27.741 36 H HIS 5 H HIS 5 -6.519 19.406 23.468 37 HA HIS 5 HA HIS 5 -5.782 16.893 22.218 38 HB2 HIS 5 2HB HIS 5 -6.644 19.563 21.011 39 HB3 HIS 5 3HB HIS 5 -6.239 18.148 20.046 40 HD1 HIS 5 HD1 HIS 5 -8.803 18.602 19.244 41 HD2 HIS 5 HD2 HIS 5 -8.289 17.023 23.055 42 HE1 HIS 5 HE1 HIS 5 -11.022 17.613 19.875 43 HE2 HIS 5 HE2 HIS 5 -10.639 16.543 22.118 44 H TYR 6 H TYR 6 -3.668 16.499 22.521 45 HA TYR 6 HA TYR 6 -1.557 18.391 22.036 46 HB2 TYR 6 2HB TYR 6 -1.498 15.363 22.437 47 HB3 TYR 6 3HB TYR 6 -0.068 16.385 22.353 48 HD1 TYR 6 HD1 TYR 6 0.384 18.063 24.174 49 HD2 TYR 6 HD2 TYR 6 -2.808 15.238 24.497 50 HE1 TYR 6 HE1 TYR 6 0.234 18.500 26.587 51 HE2 TYR 6 HE2 TYR 6 -2.951 15.676 26.910 52 HH TYR 6 HH TYR 6 -1.366 18.295 28.401 53 H THR 7 H THR 7 -1.541 19.139 19.985 54 HA THR 7 HA THR 7 -2.409 17.740 17.690 55 HB THR 7 HB THR 7 -1.446 19.749 16.447 56 HG1 THR 7 HG1 THR 7 0.224 20.082 18.180 57 HG21 THR 7 1HG2 THR 7 -3.778 19.805 17.282 58 HG22 THR 7 2HG2 THR 7 -3.025 21.391 17.422 59 HG23 THR 7 3HG2 THR 7 -3.207 20.383 18.855 60 H ASN 8 H ASN 8 -1.338 15.929 17.112 61 HA ASN 8 HA ASN 8 1.597 15.910 16.888 62 HB2 ASN 8 2HB ASN 8 0.398 14.076 18.165 63 HB3 ASN 8 3HB ASN 8 -0.352 13.572 16.655 64 HD21 ASN 8 1HD2 ASN 8 2.627 13.751 18.456 65 HD22 ASN 8 2HD2 ASN 8 3.526 12.651 17.473 66 H LEU 9 H LEU 9 1.968 17.025 15.008 67 HA LEU 9 HA LEU 9 0.415 16.599 12.602 68 HB2 LEU 9 2HB LEU 9 1.190 18.859 13.191 69 HB3 LEU 9 3HB LEU 9 2.861 18.318 13.127 70 HG LEU 9 HG LEU 9 2.585 17.867 10.670 71 HD11 LEU 9 1HD1 LEU 9 0.173 17.503 10.573 72 HD12 LEU 9 2HD1 LEU 9 0.662 18.768 9.451 73 HD13 LEU 9 3HD1 LEU 9 -0.123 19.197 10.974 74 HD21 LEU 9 1HD2 LEU 9 3.597 19.950 11.437 75 HD22 LEU 9 2HD2 LEU 9 2.011 20.719 11.518 76 HD23 LEU 9 3HD2 LEU 9 2.668 20.211 9.960 77 H LYS 10 H LYS 10 0.797 14.511 11.955 78 HA LYS 10 HA LYS 10 3.060 14.242 10.172 79 HB2 LYS 10 2HB LYS 10 3.862 12.090 10.935 80 HB3 LYS 10 3HB LYS 10 3.872 13.162 12.329 81 HG2 LYS 10 2HG LYS 10 1.809 12.127 13.181 82 HG3 LYS 10 3HG LYS 10 1.718 11.101 11.744 83 HD2 LYS 10 2HD LYS 10 3.940 10.098 12.396 84 HD3 LYS 10 3HD LYS 10 3.871 11.029 13.895 85 HE2 LYS 10 2HE LYS 10 1.884 8.902 13.025 86 HE3 LYS 10 3HE LYS 10 3.128 8.716 14.258 87 HZ1 LYS 10 1HZ LYS 10 1.010 9.126 15.274 88 HZ2 LYS 10 2HZ LYS 10 0.800 10.546 14.384 89 HZ3 LYS 10 3HZ LYS 10 2.017 10.459 15.551 90 H CYS 11 H CYS 11 2.685 11.915 9.032 91 HA CYS 11 HA CYS 11 0.119 11.969 7.804 92 HB2 CYS 11 2HB CYS 11 2.323 9.868 7.711 93 HB3 CYS 11 3HB CYS 11 0.921 9.905 6.648 94 H ARG 12 H ARG 12 -1.684 11.264 8.808 95 HA ARG 12 HA ARG 12 -1.636 9.464 11.071 96 HB2 ARG 12 2HB ARG 12 -3.223 11.389 10.974 97 HB3 ARG 12 3HB ARG 12 -3.969 10.703 9.534 98 HG2 ARG 12 2HG ARG 12 -4.693 8.736 10.858 99 HG3 ARG 12 3HG ARG 12 -3.967 9.455 12.293 100 HD2 ARG 12 2HD ARG 12 -5.551 11.343 12.144 101 HD3 ARG 12 3HD ARG 12 -6.279 10.615 10.706 102 HE ARG 12 HE ARG 12 -6.253 9.309 13.364 103 HH11 ARG 12 1HH1 ARG 12 -8.010 10.122 10.420 104 HH12 ARG 12 2HH1 ARG 12 -9.438 9.258 10.907 105 HH21 ARG 12 1HH2 ARG 12 -8.081 8.145 13.957 106 HH22 ARG 12 2HH2 ARG 12 -9.474 8.134 12.919 107 H CYS 13 H CYS 13 -1.536 7.308 10.789 108 HA CYS 13 HA CYS 13 -2.674 6.024 8.387 109 HB2 CYS 13 2HB CYS 13 -0.336 5.400 8.973 110 HB3 CYS 13 3HB CYS 13 -0.867 4.864 10.562 111 H SER 14 H SER 14 -4.763 5.533 8.624 112 HA SER 14 HA SER 14 -6.306 5.534 10.937 113 HB2 SER 14 2HB SER 14 -8.047 4.413 9.500 114 HB3 SER 14 3HB SER 14 -7.278 5.781 8.695 115 HG SER 14 HG SER 14 -6.657 4.458 7.191 116 H GLY 15 H GLY 15 -4.510 2.941 9.451 117 HA2 GLY 15 2HA GLY 15 -3.942 1.519 11.722 118 HA3 GLY 15 3HA GLY 15 -5.429 0.797 11.098 119 H VAL 16 H VAL 16 -2.935 -0.586 11.223 120 HA VAL 16 HA VAL 16 -2.303 -0.917 8.355 121 HB VAL 16 HB VAL 16 -0.361 -2.245 8.967 122 HG11 VAL 16 1HG1 VAL 16 -0.401 0.344 10.563 123 HG12 VAL 16 2HG1 VAL 16 -0.046 0.183 8.843 124 HG13 VAL 16 3HG1 VAL 16 1.046 -0.522 10.033 125 HG21 VAL 16 1HG2 VAL 16 -1.187 -3.380 10.988 126 HG22 VAL 16 2HG2 VAL 16 -1.104 -1.873 11.898 127 HG23 VAL 16 3HG2 VAL 16 0.376 -2.621 11.298 128 H ILE 17 H ILE 17 -2.615 -2.872 7.365 129 HA ILE 17 HA ILE 17 -4.654 -4.591 8.629 130 HB ILE 17 HB ILE 17 -5.221 -5.367 6.347 131 HG12 ILE 17 2HG1 ILE 17 -3.276 -3.287 5.236 132 HG13 ILE 17 3HG1 ILE 17 -2.896 -5.000 5.342 133 HG21 ILE 17 1HG2 ILE 17 -6.296 -3.307 5.534 134 HG22 ILE 17 2HG2 ILE 17 -5.251 -2.336 6.572 135 HG23 ILE 17 3HG2 ILE 17 -6.429 -3.441 7.286 136 HD11 ILE 17 1HD1 ILE 17 -3.568 -4.414 3.118 137 HD12 ILE 17 2HD1 ILE 17 -5.088 -3.746 3.707 138 HD13 ILE 17 3HD1 ILE 17 -4.775 -5.479 3.838 139 H SER 18 H SER 18 -4.315 -6.697 8.994 140 HA SER 18 HA SER 18 -1.855 -8.036 8.047 141 HB2 SER 18 2HB SER 18 -3.856 -8.879 10.188 142 HB3 SER 18 3HB SER 18 -2.344 -9.713 9.805 143 HG SER 18 HG SER 18 -2.016 -7.033 10.306 144 H THR 19 H THR 19 -4.765 -7.527 6.814 145 HA THR 19 HA THR 19 -5.688 -10.139 6.088 146 HB THR 19 HB THR 19 -6.327 -7.413 4.848 147 HG1 THR 19 HG1 THR 19 -8.163 -8.658 6.537 148 HG21 THR 19 1HG2 THR 19 -6.985 -9.289 3.368 149 HG22 THR 19 2HG2 THR 19 -8.393 -8.464 4.034 150 HG23 THR 19 3HG2 THR 19 -7.895 -10.014 4.706 151 H VAL 20 H VAL 20 -5.232 -11.310 4.277 152 HA VAL 20 HA VAL 20 -2.951 -10.708 2.602 153 HB VAL 20 HB VAL 20 -5.032 -12.955 2.432 154 HG11 VAL 20 1HG1 VAL 20 -4.117 -12.513 0.180 155 HG12 VAL 20 2HG1 VAL 20 -3.545 -14.066 0.788 156 HG13 VAL 20 3HG1 VAL 20 -2.472 -12.663 0.801 157 HG21 VAL 20 1HG2 VAL 20 -2.147 -13.008 3.411 158 HG22 VAL 20 2HG2 VAL 20 -3.200 -14.417 3.269 159 HG23 VAL 20 3HG2 VAL 20 -3.591 -13.139 4.419 160 H VAL 21 H VAL 21 -3.133 -9.181 1.075 161 HA VAL 21 HA VAL 21 -5.640 -8.833 -0.477 162 HB VAL 21 HB VAL 21 -3.467 -6.785 0.181 163 HG11 VAL 21 1HG1 VAL 21 -6.024 -6.350 -1.396 164 HG12 VAL 21 2HG1 VAL 21 -4.394 -6.375 -2.069 165 HG13 VAL 21 3HG1 VAL 21 -4.861 -5.107 -0.937 166 HG21 VAL 21 1HG2 VAL 21 -6.341 -6.982 1.156 167 HG22 VAL 21 2HG2 VAL 21 -5.236 -5.649 1.500 168 HG23 VAL 21 3HG2 VAL 21 -4.885 -7.263 2.116 169 H GLY 22 H GLY 22 -5.526 -9.222 -2.600 170 HA2 GLY 22 2HA GLY 22 -2.929 -9.890 -3.843 171 HA3 GLY 22 3HA GLY 22 -4.508 -10.464 -4.363 172 H LEU 23 H LEU 23 -2.589 -9.348 -6.076 173 HA LEU 23 HA LEU 23 -3.048 -6.694 -6.868 174 HB2 LEU 23 2HB LEU 23 -2.270 -9.112 -8.535 175 HB3 LEU 23 3HB LEU 23 -2.295 -7.478 -9.177 176 HG LEU 23 HG LEU 23 -0.496 -8.429 -6.910 177 HD11 LEU 23 1HD1 LEU 23 0.172 -7.858 -9.818 178 HD12 LEU 23 2HD1 LEU 23 0.141 -9.443 -9.042 179 HD13 LEU 23 3HD1 LEU 23 1.337 -8.248 -8.549 180 HD21 LEU 23 1HD2 LEU 23 -0.573 -5.737 -8.332 181 HD22 LEU 23 2HD2 LEU 23 0.683 -6.262 -7.211 182 HD23 LEU 23 3HD2 LEU 23 -0.964 -6.050 -6.638 183 H ASN 24 H ASN 24 -4.972 -9.502 -7.202 184 HA ASN 24 HA ASN 24 -6.740 -8.984 -9.244 185 HB2 ASN 24 2HB ASN 24 -6.734 -11.119 -8.072 186 HB3 ASN 24 3HB ASN 24 -7.193 -10.355 -6.556 187 HD21 ASN 24 1HD2 ASN 24 -8.340 -11.124 -9.819 188 HD22 ASN 24 2HD2 ASN 24 -10.024 -11.139 -9.424 189 H ILE 25 H ILE 25 -6.602 -7.466 -6.039 190 HA ILE 25 HA ILE 25 -8.921 -5.755 -6.782 191 HB ILE 25 HB ILE 25 -9.391 -5.420 -4.347 192 HG12 ILE 25 2HG1 ILE 25 -7.429 -7.719 -3.881 193 HG13 ILE 25 3HG1 ILE 25 -7.147 -6.042 -3.432 194 HG21 ILE 25 1HG2 ILE 25 -10.546 -7.559 -3.984 195 HG22 ILE 25 2HG2 ILE 25 -9.574 -8.309 -5.251 196 HG23 ILE 25 3HG2 ILE 25 -10.714 -7.026 -5.660 197 HD11 ILE 25 1HD1 ILE 25 -7.806 -7.415 -1.518 198 HD12 ILE 25 2HD1 ILE 25 -9.330 -7.806 -2.312 199 HD13 ILE 25 3HD1 ILE 25 -8.982 -6.142 -1.838 200 H ILE 26 H ILE 26 -5.570 -5.636 -6.345 201 HA ILE 26 HA ILE 26 -5.327 -2.978 -5.260 202 HB ILE 26 HB ILE 26 -3.390 -4.525 -7.061 203 HG12 ILE 26 2HG1 ILE 26 -3.806 -5.615 -4.830 204 HG13 ILE 26 3HG1 ILE 26 -2.132 -5.135 -5.068 205 HG21 ILE 26 1HG2 ILE 26 -2.901 -2.123 -7.221 206 HG22 ILE 26 2HG2 ILE 26 -1.622 -2.938 -6.327 207 HG23 ILE 26 3HG2 ILE 26 -2.828 -1.984 -5.462 208 HD11 ILE 26 1HD1 ILE 26 -4.188 -3.774 -3.336 209 HD12 ILE 26 2HD1 ILE 26 -2.569 -3.145 -3.641 210 HD13 ILE 26 3HD1 ILE 26 -2.776 -4.690 -2.822 211 H ASP 27 H ASP 27 -5.468 -1.008 -6.265 212 HA ASP 27 HA ASP 27 -6.049 -0.923 -9.186 213 HB2 ASP 27 2HB ASP 27 -7.942 -0.235 -7.687 214 HB3 ASP 27 3HB ASP 27 -6.951 1.054 -7.043 215 H ARG 28 H ARG 28 -4.739 1.138 -6.543 216 HA ARG 28 HA ARG 28 -2.450 1.903 -8.227 217 HB2 ARG 28 2HB ARG 28 -4.418 3.913 -7.029 218 HB3 ARG 28 3HB ARG 28 -2.772 4.363 -7.426 219 HG2 ARG 28 2HG ARG 28 -4.836 3.348 -9.401 220 HG3 ARG 28 3HG ARG 28 -4.377 5.035 -9.172 221 HD2 ARG 28 2HD ARG 28 -2.061 4.490 -9.884 222 HD3 ARG 28 3HD ARG 28 -2.540 2.808 -10.127 223 HE ARG 28 HE ARG 28 -3.764 5.032 -11.647 224 HH11 ARG 28 1HH1 ARG 28 -2.152 1.891 -11.648 225 HH12 ARG 28 2HH1 ARG 28 -2.348 1.662 -13.354 226 HH21 ARG 28 1HH2 ARG 28 -4.014 4.690 -13.893 227 HH22 ARG 28 2HH2 ARG 28 -3.395 3.235 -14.615 228 H ILE 29 H ILE 29 -0.638 2.441 -7.072 229 HA ILE 29 HA ILE 29 -0.668 2.132 -4.120 230 HB ILE 29 HB ILE 29 1.711 1.962 -6.040 231 HG12 ILE 29 2HG1 ILE 29 0.284 -0.365 -4.672 232 HG13 ILE 29 3HG1 ILE 29 0.088 0.061 -6.368 233 HG21 ILE 29 1HG2 ILE 29 2.362 2.667 -3.762 234 HG22 ILE 29 2HG2 ILE 29 2.975 1.053 -4.122 235 HG23 ILE 29 3HG2 ILE 29 1.562 1.244 -3.086 236 HD11 ILE 29 1HD1 ILE 29 1.595 -1.773 -6.197 237 HD12 ILE 29 2HD1 ILE 29 2.603 -0.920 -5.028 238 HD13 ILE 29 3HD1 ILE 29 2.514 -0.359 -6.701 239 H GLN 30 H GLN 30 -0.763 4.127 -3.185 240 HA GLN 30 HA GLN 30 0.662 6.430 -4.400 241 HB2 GLN 30 2HB GLN 30 -1.832 6.648 -3.968 242 HB3 GLN 30 3HB GLN 30 -1.508 6.451 -2.250 243 HG2 GLN 30 2HG GLN 30 -0.001 8.504 -2.427 244 HG3 GLN 30 3HG GLN 30 -0.662 8.746 -4.041 245 HE21 GLN 30 1HE2 GLN 30 -3.404 7.846 -3.179 246 HE22 GLN 30 2HE2 GLN 30 -4.019 9.174 -2.264 247 H VAL 31 H VAL 31 2.704 6.367 -3.559 248 HA VAL 31 HA VAL 31 3.186 5.751 -0.736 249 HB VAL 31 HB VAL 31 4.794 5.025 -2.632 250 HG11 VAL 31 1HG1 VAL 31 6.621 6.574 -3.274 251 HG12 VAL 31 2HG1 VAL 31 5.780 7.895 -2.465 252 HG13 VAL 31 3HG1 VAL 31 5.061 7.131 -3.877 253 HG21 VAL 31 1HG2 VAL 31 5.963 6.432 -0.206 254 HG22 VAL 31 2HG2 VAL 31 6.792 5.216 -1.179 255 HG23 VAL 31 3HG2 VAL 31 5.352 4.778 -0.259 256 H THR 32 H THR 32 3.742 7.226 0.815 257 HA THR 32 HA THR 32 3.583 10.119 0.160 258 HB THR 32 HB THR 32 2.973 8.720 2.811 259 HG1 THR 32 HG1 THR 32 1.484 8.539 0.860 260 HG21 THR 32 1HG2 THR 32 3.783 11.055 3.117 261 HG22 THR 32 2HG2 THR 32 2.072 10.917 3.525 262 HG23 THR 32 3HG2 THR 32 2.557 11.627 1.984 263 HA PRO 33 HA PRO 33 8.119 9.425 1.105 264 HB2 PRO 33 2HB PRO 33 8.111 12.269 0.066 265 HB3 PRO 33 3HB PRO 33 9.205 10.924 -0.335 266 HG2 PRO 33 2HG PRO 33 7.332 11.643 -2.060 267 HG3 PRO 33 3HG PRO 33 7.657 9.914 -1.779 268 HD2 PRO 33 2HD PRO 33 5.393 11.606 -0.726 269 HD3 PRO 33 3HD PRO 33 5.363 9.940 -1.350 270 HA PRO 34 HA PRO 34 8.069 11.407 5.094 271 HB2 PRO 34 2HB PRO 34 10.681 11.214 5.857 272 HB3 PRO 34 3HB PRO 34 9.655 9.783 5.642 273 HG2 PRO 34 2HG PRO 34 11.666 10.937 3.736 274 HG3 PRO 34 3HG PRO 34 11.421 9.242 4.216 275 HD2 PRO 34 2HD PRO 34 10.409 10.276 1.898 276 HD3 PRO 34 3HD PRO 34 9.619 8.954 2.781 277 H GLY 35 H GLY 35 9.310 13.041 2.459 278 HA2 GLY 35 2HA GLY 35 10.465 15.345 3.842 279 HA3 GLY 35 3HA GLY 35 10.285 15.120 2.104 280 H ASN 36 H ASN 36 7.910 14.974 4.744 281 HA ASN 36 HA ASN 36 6.458 17.346 3.789 282 HB2 ASN 36 2HB ASN 36 4.332 16.126 3.680 283 HB3 ASN 36 3HB ASN 36 5.484 15.385 2.579 284 HD21 ASN 36 1HD2 ASN 36 3.096 14.239 3.757 285 HD22 ASN 36 2HD2 ASN 36 3.611 12.843 4.631 286 H GLY 37 H GLY 37 7.907 15.867 6.270 287 HA2 GLY 37 2HA GLY 37 7.842 16.772 8.481 288 HA3 GLY 37 3HA GLY 37 6.104 16.987 8.341 289 H CYS 38 H CYS 38 6.215 14.116 7.007 290 HA CYS 38 HA CYS 38 5.714 12.629 9.470 291 HB2 CYS 38 2HB CYS 38 5.671 11.617 6.585 292 HB3 CYS 38 3HB CYS 38 4.885 10.880 7.986 293 HA PRO 39 HA PRO 39 10.066 11.434 9.765 294 HB2 PRO 39 2HB PRO 39 9.796 9.234 11.474 295 HB3 PRO 39 3HB PRO 39 9.818 10.928 11.998 296 HG2 PRO 39 2HG PRO 39 7.455 9.145 11.522 297 HG3 PRO 39 3HG PRO 39 7.743 10.301 12.841 298 HD2 PRO 39 2HD PRO 39 6.120 10.919 10.784 299 HD3 PRO 39 3HD PRO 39 7.167 12.156 11.519 300 H LYS 40 H LYS 40 7.736 8.781 9.167 301 HA LYS 40 HA LYS 40 9.743 7.412 7.453 302 HB2 LYS 40 2HB LYS 40 7.272 6.306 8.872 303 HB3 LYS 40 3HB LYS 40 8.224 5.389 7.715 304 HG2 LYS 40 2HG LYS 40 9.263 6.475 10.349 305 HG3 LYS 40 3HG LYS 40 8.781 4.804 10.049 306 HD2 LYS 40 2HD LYS 40 10.569 4.651 8.290 307 HD3 LYS 40 3HD LYS 40 11.084 6.285 8.713 308 HE2 LYS 40 2HE LYS 40 11.149 3.850 10.530 309 HE3 LYS 40 3HE LYS 40 12.535 4.631 9.769 310 HZ1 LYS 40 1HZ LYS 40 10.779 5.756 11.880 311 HZ2 LYS 40 2HZ LYS 40 11.933 6.662 11.048 312 HZ3 LYS 40 3HZ LYS 40 12.422 5.363 12.009 313 H THR 41 H THR 41 8.835 6.326 5.522 314 HA THR 41 HA THR 41 6.936 7.987 4.084 315 HB THR 41 HB THR 41 9.034 7.232 2.925 316 HG1 THR 41 HG1 THR 41 6.649 7.426 1.976 317 HG21 THR 41 1HG2 THR 41 9.160 4.945 1.961 318 HG22 THR 41 2HG2 THR 41 7.762 4.461 2.919 319 HG23 THR 41 3HG2 THR 41 9.273 4.900 3.718 320 H GLU 42 H GLU 42 4.847 7.406 3.712 321 HA GLU 42 HA GLU 42 3.868 4.954 5.057 322 HB2 GLU 42 2HB GLU 42 2.335 7.521 4.474 323 HB3 GLU 42 3HB GLU 42 1.816 6.196 5.503 324 HG2 GLU 42 2HG GLU 42 4.169 8.018 6.061 325 HG3 GLU 42 3HG GLU 42 2.569 8.182 6.775 326 H VAL 43 H VAL 43 3.108 3.410 3.727 327 HA VAL 43 HA VAL 43 2.594 3.999 0.912 328 HB VAL 43 HB VAL 43 2.643 1.315 2.356 329 HG11 VAL 43 1HG1 VAL 43 2.904 0.327 0.106 330 HG12 VAL 43 2HG1 VAL 43 2.734 1.923 -0.622 331 HG13 VAL 43 3HG1 VAL 43 1.379 1.203 0.250 332 HG21 VAL 43 1HG2 VAL 43 4.814 2.465 2.529 333 HG22 VAL 43 2HG2 VAL 43 4.856 2.671 0.777 334 HG23 VAL 43 3HG2 VAL 43 4.930 1.055 1.477 335 H VAL 44 H VAL 44 0.638 4.875 0.658 336 HA VAL 44 HA VAL 44 -1.787 3.775 1.941 337 HB VAL 44 HB VAL 44 -1.418 6.308 0.238 338 HG11 VAL 44 1HG1 VAL 44 -3.634 6.998 1.045 339 HG12 VAL 44 2HG1 VAL 44 -3.790 5.489 1.943 340 HG13 VAL 44 3HG1 VAL 44 -3.732 5.460 0.179 341 HG21 VAL 44 1HG2 VAL 44 -0.144 6.485 2.337 342 HG22 VAL 44 2HG2 VAL 44 -1.592 6.098 3.268 343 HG23 VAL 44 3HG2 VAL 44 -1.518 7.595 2.338 344 H ILE 45 H ILE 45 -2.548 2.060 0.722 345 HA ILE 45 HA ILE 45 -2.364 2.207 -2.231 346 HB ILE 45 HB ILE 45 -2.899 -0.230 -0.472 347 HG12 ILE 45 2HG1 ILE 45 -0.380 0.570 -1.993 348 HG13 ILE 45 3HG1 ILE 45 -0.575 0.631 -0.246 349 HG21 ILE 45 1HG2 ILE 45 -2.452 -0.056 -3.477 350 HG22 ILE 45 2HG2 ILE 45 -3.975 -0.454 -2.675 351 HG23 ILE 45 3HG2 ILE 45 -2.599 -1.550 -2.551 352 HD11 ILE 45 1HD1 ILE 45 -0.598 -1.866 -1.937 353 HD12 ILE 45 2HD1 ILE 45 -0.784 -1.795 -0.180 354 HD13 ILE 45 3HD1 ILE 45 0.716 -1.276 -0.930 355 H TRP 46 H TRP 46 -4.161 2.391 -3.401 356 HA TRP 46 HA TRP 46 -6.840 2.336 -2.165 357 HB2 TRP 46 2HB TRP 46 -5.681 3.643 -4.652 358 HB3 TRP 46 3HB TRP 46 -7.416 3.496 -4.424 359 HD1 TRP 46 HD1 TRP 46 -4.353 5.164 -2.645 360 HE1 TRP 46 HE1 TRP 46 -5.213 7.283 -1.458 361 HE3 TRP 46 HE3 TRP 46 -9.364 4.693 -3.632 362 HZ2 TRP 46 HZ2 TRP 46 -7.673 8.600 -1.034 363 HZ3 TRP 46 HZ3 TRP 46 -10.904 6.433 -2.810 364 HH2 TRP 46 HH2 TRP 46 -10.071 8.347 -1.534 365 H THR 47 H THR 47 -8.167 0.673 -2.672 366 HA THR 47 HA THR 47 -7.391 -1.368 -4.614 367 HB THR 47 HB THR 47 -9.384 -2.603 -3.711 368 HG1 THR 47 HG1 THR 47 -9.710 -0.812 -1.618 369 HG21 THR 47 1HG2 THR 47 -7.540 -1.517 -1.545 370 HG22 THR 47 2HG2 THR 47 -7.187 -2.889 -2.598 371 HG23 THR 47 3HG2 THR 47 -8.509 -2.989 -1.434 372 H LYS 48 H LYS 48 -9.426 -2.308 -5.870 373 HA LYS 48 HA LYS 48 -10.249 -0.332 -7.782 374 HB2 LYS 48 2HB LYS 48 -11.237 -3.198 -7.505 375 HB3 LYS 48 3HB LYS 48 -11.445 -2.164 -8.915 376 HG2 LYS 48 2HG LYS 48 -8.973 -2.146 -9.228 377 HG3 LYS 48 3HG LYS 48 -8.810 -3.263 -7.873 378 HD2 LYS 48 2HD LYS 48 -10.146 -3.769 -10.557 379 HD3 LYS 48 3HD LYS 48 -8.722 -4.574 -9.890 380 HE2 LYS 48 2HE LYS 48 -10.161 -5.547 -8.090 381 HE3 LYS 48 3HE LYS 48 -11.569 -4.807 -8.858 382 HZ1 LYS 48 1HZ LYS 48 -11.150 -6.121 -10.825 383 HZ2 LYS 48 2HZ LYS 48 -11.321 -7.124 -9.480 384 HZ3 LYS 48 3HZ LYS 48 -9.782 -6.818 -10.111 385 H MET 49 H MET 49 -11.675 -1.775 -4.970 386 HA MET 49 HA MET 49 -14.344 -0.730 -5.307 387 HB2 MET 49 2HB MET 49 -12.935 -1.712 -2.780 388 HB3 MET 49 3HB MET 49 -14.662 -1.422 -2.950 389 HG2 MET 49 2HG MET 49 -14.420 -3.761 -3.112 390 HG3 MET 49 3HG MET 49 -14.644 -3.215 -4.770 391 HE1 MET 49 1HE MET 49 -12.246 -4.885 -2.189 392 HE2 MET 49 2HE MET 49 -11.473 -3.305 -2.349 393 HE3 MET 49 3HE MET 49 -10.671 -4.746 -2.973 394 H LYS 50 H LYS 50 -11.437 0.746 -4.835 395 HA LYS 50 HA LYS 50 -10.675 2.760 -4.263 396 HB2 LYS 50 2HB LYS 50 -13.627 3.441 -4.228 397 HB3 LYS 50 3HB LYS 50 -12.454 4.623 -3.663 398 HG2 LYS 50 2HG LYS 50 -13.037 5.080 -5.974 399 HG3 LYS 50 3HG LYS 50 -11.347 4.583 -5.875 400 HD2 LYS 50 2HD LYS 50 -11.991 2.310 -6.641 401 HD3 LYS 50 3HD LYS 50 -13.672 2.829 -6.754 402 HE2 LYS 50 2HE LYS 50 -13.022 4.487 -8.476 403 HE3 LYS 50 3HE LYS 50 -11.349 3.937 -8.365 404 HZ1 LYS 50 1HZ LYS 50 -12.466 2.927 -10.233 405 HZ2 LYS 50 2HZ LYS 50 -13.667 2.297 -9.228 406 HZ3 LYS 50 3HZ LYS 50 -12.077 1.737 -9.094 407 H LYS 51 H LYS 51 -11.450 0.573 -2.271 408 HA LYS 51 HA LYS 51 -11.823 1.941 0.245 409 HB2 LYS 51 2HB LYS 51 -12.667 -0.414 -0.256 410 HB3 LYS 51 3HB LYS 51 -11.008 -0.982 -0.242 411 HG2 LYS 51 2HG LYS 51 -12.186 0.412 2.171 412 HG3 LYS 51 3HG LYS 51 -12.490 -1.299 1.891 413 HD2 LYS 51 2HD LYS 51 -10.125 -1.813 2.055 414 HD3 LYS 51 3HD LYS 51 -9.697 -0.101 2.097 415 HE2 LYS 51 2HE LYS 51 -9.551 -1.078 4.333 416 HE3 LYS 51 3HE LYS 51 -10.838 0.120 4.284 417 HZ1 LYS 51 1HZ LYS 51 -11.180 -2.828 4.141 418 HZ2 LYS 51 2HZ LYS 51 -12.434 -1.696 4.080 419 HZ3 LYS 51 3HZ LYS 51 -11.509 -1.852 5.486 420 H VAL 52 H VAL 52 -10.266 2.555 1.634 421 HA VAL 52 HA VAL 52 -7.545 2.795 0.570 422 HB VAL 52 HB VAL 52 -8.808 4.213 2.972 423 HG11 VAL 52 1HG1 VAL 52 -6.898 5.768 2.760 424 HG12 VAL 52 2HG1 VAL 52 -6.254 4.795 1.440 425 HG13 VAL 52 3HG1 VAL 52 -6.344 4.115 3.066 426 HG21 VAL 52 1HG2 VAL 52 -8.469 5.221 0.117 427 HG22 VAL 52 2HG2 VAL 52 -9.039 6.182 1.483 428 HG23 VAL 52 3HG2 VAL 52 -10.000 4.826 0.900 429 H ILE 53 H ILE 53 -6.010 1.444 1.297 430 HA ILE 53 HA ILE 53 -6.130 0.372 4.057 431 HB ILE 53 HB ILE 53 -4.791 -1.601 3.280 432 HG12 ILE 53 2HG1 ILE 53 -5.415 -0.675 0.429 433 HG13 ILE 53 3HG1 ILE 53 -3.828 -0.596 1.183 434 HG21 ILE 53 1HG2 ILE 53 -7.480 -1.316 1.898 435 HG22 ILE 53 2HG2 ILE 53 -7.211 -1.820 3.567 436 HG23 ILE 53 3HG2 ILE 53 -6.657 -2.840 2.242 437 HD11 ILE 53 1HD1 ILE 53 -5.385 -3.092 0.519 438 HD12 ILE 53 2HD1 ILE 53 -3.829 -3.055 1.357 439 HD13 ILE 53 3HD1 ILE 53 -3.952 -2.471 -0.302 440 H CYS 54 H CYS 54 -4.384 0.741 5.304 441 HA CYS 54 HA CYS 54 -2.069 2.207 4.181 442 HB2 CYS 54 2HB CYS 54 -3.354 3.566 5.751 443 HB3 CYS 54 3HB CYS 54 -3.308 2.295 6.965 444 H VAL 55 H VAL 55 -0.190 1.124 4.184 445 HA VAL 55 HA VAL 55 0.523 -0.643 6.434 446 HB VAL 55 HB VAL 55 1.745 -2.215 4.889 447 HG11 VAL 55 1HG1 VAL 55 -0.466 -2.846 5.775 448 HG12 VAL 55 2HG1 VAL 55 -0.201 -3.526 4.169 449 HG13 VAL 55 3HG1 VAL 55 -1.247 -2.117 4.369 450 HG21 VAL 55 1HG2 VAL 55 2.004 -0.768 2.920 451 HG22 VAL 55 2HG2 VAL 55 0.261 -0.773 2.651 452 HG23 VAL 55 3HG2 VAL 55 1.187 -2.266 2.461 453 H ASN 56 H ASN 56 2.854 -0.956 6.584 454 HA ASN 56 HA ASN 56 4.382 1.467 6.081 455 HB2 ASN 56 2HB ASN 56 5.077 -1.136 7.525 456 HB3 ASN 56 3HB ASN 56 6.163 0.247 7.414 457 HD21 ASN 56 1HD2 ASN 56 5.556 2.224 8.477 458 HD22 ASN 56 2HD2 ASN 56 4.442 2.203 9.798 459 HA PRO 57 HA PRO 57 6.676 0.041 2.445 460 HB2 PRO 57 2HB PRO 57 9.303 0.739 3.011 461 HB3 PRO 57 3HB PRO 57 8.059 1.915 2.542 462 HG2 PRO 57 2HG PRO 57 8.988 1.187 5.310 463 HG3 PRO 57 3HG PRO 57 8.747 2.803 4.597 464 HD2 PRO 57 2HD PRO 57 6.874 1.762 6.191 465 HD3 PRO 57 3HD PRO 57 6.399 2.654 4.728 466 H ARG 58 H ARG 58 7.445 -1.162 5.572 467 HA ARG 58 HA ARG 58 9.175 -3.332 4.580 468 HB2 ARG 58 2HB ARG 58 8.597 -2.603 7.486 469 HB3 ARG 58 3HB ARG 58 9.909 -3.599 6.875 470 HG2 ARG 58 2HG ARG 58 9.612 -0.592 6.635 471 HG3 ARG 58 3HG ARG 58 10.830 -1.483 7.543 472 HD2 ARG 58 2HD ARG 58 10.565 -1.373 4.525 473 HD3 ARG 58 3HD ARG 58 11.777 -0.539 5.497 474 HE ARG 58 HE ARG 58 12.144 -3.154 6.139 475 HH11 ARG 58 1HH1 ARG 58 12.105 -1.400 3.080 476 HH12 ARG 58 2HH1 ARG 58 13.213 -2.482 2.301 477 HH21 ARG 58 1HH2 ARG 58 13.631 -4.573 5.088 478 HH22 ARG 58 2HH2 ARG 58 14.071 -4.268 3.434 479 H ALA 59 H ALA 59 6.146 -3.154 4.275 480 HA ALA 59 HA ALA 59 5.124 -5.386 5.830 481 HB1 ALA 59 1HB ALA 59 3.084 -5.119 4.374 482 HB2 ALA 59 2HB ALA 59 3.919 -3.803 3.541 483 HB3 ALA 59 3HB ALA 59 3.549 -3.664 5.252 484 H LYS 60 H LYS 60 4.886 -7.491 5.176 485 HA LYS 60 HA LYS 60 6.844 -8.562 3.473 486 HB2 LYS 60 2HB LYS 60 4.415 -9.853 4.769 487 HB3 LYS 60 3HB LYS 60 5.630 -10.774 3.885 488 HG2 LYS 60 2HG LYS 60 7.355 -9.965 5.490 489 HG3 LYS 60 3HG LYS 60 6.085 -9.155 6.415 490 HD2 LYS 60 2HD LYS 60 5.026 -11.287 6.935 491 HD3 LYS 60 3HD LYS 60 6.113 -12.149 5.843 492 HE2 LYS 60 2HE LYS 60 8.025 -11.535 7.300 493 HE3 LYS 60 3HE LYS 60 6.907 -10.736 8.409 494 HZ1 LYS 60 1HZ LYS 60 7.449 -12.957 9.161 495 HZ2 LYS 60 2HZ LYS 60 6.894 -13.625 7.711 496 HZ3 LYS 60 3HZ LYS 60 5.810 -12.868 8.761 497 H TRP 61 H TRP 61 3.299 -8.432 3.029 498 HA TRP 61 HA TRP 61 3.270 -9.810 0.550 499 HB2 TRP 61 2HB TRP 61 0.912 -9.224 0.414 500 HB3 TRP 61 3HB TRP 61 1.285 -9.636 2.081 501 HD1 TRP 61 HD1 TRP 61 1.428 -7.439 3.845 502 HE1 TRP 61 HE1 TRP 61 0.129 -5.218 3.771 503 HE3 TRP 61 HE3 TRP 61 -0.104 -7.541 -1.036 504 HZ2 TRP 61 HZ2 TRP 61 -1.366 -3.716 1.903 505 HZ3 TRP 61 HZ3 TRP 61 -1.471 -5.683 -1.884 506 HH2 TRP 61 HH2 TRP 61 -2.083 -3.805 -0.448 507 H LEU 62 H LEU 62 3.721 -6.460 1.409 508 HA LEU 62 HA LEU 62 3.208 -5.186 -1.071 509 HB2 LEU 62 2HB LEU 62 3.277 -3.972 1.059 510 HB3 LEU 62 3HB LEU 62 4.974 -4.380 1.260 511 HG LEU 62 HG LEU 62 5.456 -2.988 -0.833 512 HD11 LEU 62 1HD1 LEU 62 3.211 -2.986 -1.811 513 HD12 LEU 62 2HD1 LEU 62 3.823 -1.357 -1.583 514 HD13 LEU 62 3HD1 LEU 62 2.622 -2.014 -0.472 515 HD21 LEU 62 1HD2 LEU 62 5.369 -0.842 0.321 516 HD22 LEU 62 2HD2 LEU 62 5.918 -2.122 1.399 517 HD23 LEU 62 3HD2 LEU 62 4.264 -1.513 1.526 518 H GLN 63 H GLN 63 6.040 -6.834 0.239 519 HA GLN 63 HA GLN 63 8.136 -5.870 -1.323 520 HB2 GLN 63 2HB GLN 63 7.648 -8.688 -0.283 521 HB3 GLN 63 3HB GLN 63 9.185 -8.151 -0.950 522 HG2 GLN 63 2HG GLN 63 9.511 -6.594 0.862 523 HG3 GLN 63 3HG GLN 63 7.884 -6.873 1.473 524 HE21 GLN 63 1HE2 GLN 63 7.933 -9.760 1.198 525 HE22 GLN 63 2HE2 GLN 63 9.010 -10.349 2.411 526 H ARG 64 H ARG 64 5.675 -8.230 -2.110 527 HA ARG 64 HA ARG 64 6.747 -9.208 -4.568 528 HB2 ARG 64 2HB ARG 64 3.870 -9.137 -3.557 529 HB3 ARG 64 3HB ARG 64 4.399 -10.036 -4.971 530 HG2 ARG 64 2HG ARG 64 5.412 -10.567 -2.161 531 HG3 ARG 64 3HG ARG 64 4.057 -11.411 -2.896 532 HD2 ARG 64 2HD ARG 64 5.957 -12.824 -3.110 533 HD3 ARG 64 3HD ARG 64 5.643 -12.171 -4.716 534 HE ARG 64 HE ARG 64 7.602 -10.637 -3.276 535 HH11 ARG 64 1HH1 ARG 64 7.219 -13.623 -5.126 536 HH12 ARG 64 2HH1 ARG 64 8.887 -13.669 -5.604 537 HH21 ARG 64 1HH2 ARG 64 9.797 -10.738 -3.947 538 HH22 ARG 64 2HH2 ARG 64 10.330 -12.057 -4.942 539 H LEU 65 H LEU 65 4.501 -6.638 -3.675 540 HA LEU 65 HA LEU 65 3.772 -5.763 -6.293 541 HB2 LEU 65 2HB LEU 65 3.502 -4.580 -3.522 542 HB3 LEU 65 3HB LEU 65 3.132 -3.593 -4.920 543 HG LEU 65 HG LEU 65 1.366 -5.250 -5.582 544 HD11 LEU 65 1HD1 LEU 65 1.900 -6.568 -2.908 545 HD12 LEU 65 2HD1 LEU 65 2.154 -7.281 -4.506 546 HD13 LEU 65 3HD1 LEU 65 0.525 -6.894 -3.963 547 HD21 LEU 65 1HD2 LEU 65 0.998 -4.060 -2.819 548 HD22 LEU 65 2HD2 LEU 65 -0.283 -4.508 -3.950 549 HD23 LEU 65 3HD2 LEU 65 0.816 -3.198 -4.346 550 H LEU 66 H LEU 66 6.369 -4.957 -4.056 551 HA LEU 66 HA LEU 66 7.391 -2.668 -5.411 552 HB2 LEU 66 2HB LEU 66 8.822 -4.587 -3.521 553 HB3 LEU 66 3HB LEU 66 9.471 -3.050 -4.066 554 HG LEU 66 HG LEU 66 7.058 -3.452 -2.257 555 HD11 LEU 66 1HD1 LEU 66 9.228 -3.781 -1.139 556 HD12 LEU 66 2HD1 LEU 66 8.389 -2.361 -0.531 557 HD13 LEU 66 3HD1 LEU 66 9.743 -2.172 -1.649 558 HD21 LEU 66 1HD2 LEU 66 6.948 -0.979 -2.070 559 HD22 LEU 66 2HD2 LEU 66 6.581 -1.544 -3.694 560 HD23 LEU 66 3HD2 LEU 66 8.160 -0.834 -3.347 561 H ARG 67 H ARG 67 8.090 -6.167 -5.599 562 HA ARG 67 HA ARG 67 10.185 -5.927 -7.523 563 HB2 ARG 67 2HB ARG 67 9.767 -7.990 -6.093 564 HB3 ARG 67 3HB ARG 67 8.386 -8.363 -7.122 565 HG2 ARG 67 2HG ARG 67 9.907 -8.497 -9.088 566 HG3 ARG 67 3HG ARG 67 11.277 -8.155 -8.036 567 HD2 ARG 67 2HD ARG 67 10.850 -10.270 -6.816 568 HD3 ARG 67 3HD ARG 67 9.495 -10.611 -7.903 569 HE ARG 67 HE ARG 67 12.144 -10.163 -9.088 570 HH11 ARG 67 1HH1 ARG 67 9.657 -12.529 -8.303 571 HH12 ARG 67 2HH1 ARG 67 10.338 -13.740 -9.341 572 HH21 ARG 67 1HH2 ARG 67 13.000 -11.776 -10.416 573 HH22 ARG 67 2HH2 ARG 67 12.210 -13.317 -10.524 574 H HIS 68 H HIS 68 6.656 -6.247 -7.806 575 HA HIS 68 HA HIS 68 6.524 -6.684 -10.620 576 HB2 HIS 68 2HB HIS 68 4.431 -5.606 -8.685 577 HB3 HIS 68 3HB HIS 68 4.090 -5.953 -10.379 578 HD1 HIS 68 HD1 HIS 68 3.351 -7.437 -7.380 579 HD2 HIS 68 HD2 HIS 68 5.268 -8.885 -10.769 580 HE1 HIS 68 HE1 HIS 68 3.126 -9.935 -7.268 581 HE2 HIS 68 HE2 HIS 68 4.218 -10.776 -9.368 582 H VAL 69 H VAL 69 6.520 -3.693 -8.677 583 HA VAL 69 HA VAL 69 5.966 -1.976 -10.922 584 HB VAL 69 HB VAL 69 5.452 -1.427 -8.453 585 HG11 VAL 69 1HG1 VAL 69 7.152 -0.272 -7.136 586 HG12 VAL 69 2HG1 VAL 69 8.352 -0.546 -8.400 587 HG13 VAL 69 3HG1 VAL 69 7.676 -1.914 -7.520 588 HG21 VAL 69 1HG2 VAL 69 6.795 0.713 -10.141 589 HG22 VAL 69 2HG2 VAL 69 5.698 1.015 -8.791 590 HG23 VAL 69 3HG2 VAL 69 5.110 0.209 -10.246 591 H GLN 70 H GLN 70 8.790 -3.574 -9.870 592 HA GLN 70 HA GLN 70 10.713 -1.777 -11.099 593 HB2 GLN 70 2HB GLN 70 11.332 -3.305 -9.214 594 HB3 GLN 70 3HB GLN 70 11.013 -4.689 -10.253 595 HG2 GLN 70 2HG GLN 70 13.418 -4.256 -10.085 596 HG3 GLN 70 3HG GLN 70 12.854 -4.030 -11.740 597 HE21 GLN 70 1HE2 GLN 70 12.925 -1.943 -12.645 598 HE22 GLN 70 2HE2 GLN 70 13.771 -0.637 -11.903 599 H SER 71 H SER 71 11.110 -1.680 -13.234 600 HA SER 71 HA SER 71 9.653 -3.162 -15.165 601 HB2 SER 71 2HB SER 71 11.055 -1.853 -16.826 602 HB3 SER 71 3HB SER 71 10.220 -0.859 -15.636 603 HG SER 71 HG SER 71 12.073 -0.172 -14.914 604 H LYS 72 H LYS 72 12.401 -4.104 -13.496 605 HA LYS 72 HA LYS 72 13.751 -5.670 -15.472 606 HB2 LYS 72 2HB LYS 72 14.661 -4.942 -13.165 607 HB3 LYS 72 3HB LYS 72 13.671 -6.219 -12.467 608 HG2 LYS 72 2HG LYS 72 15.884 -7.102 -12.686 609 HG3 LYS 72 3HG LYS 72 14.923 -7.864 -13.956 610 HD2 LYS 72 2HD LYS 72 15.817 -6.147 -15.575 611 HD3 LYS 72 3HD LYS 72 16.866 -5.539 -14.291 612 HE2 LYS 72 2HE LYS 72 18.160 -7.004 -15.686 613 HE3 LYS 72 3HE LYS 72 17.893 -7.848 -14.161 614 HZ1 LYS 72 1HZ LYS 72 16.330 -8.272 -16.657 615 HZ2 LYS 72 2HZ LYS 72 16.140 -9.120 -15.209 616 HZ3 LYS 72 3HZ LYS 72 17.567 -9.268 -16.100 617 H SER 73 H SER 73 11.019 -6.160 -13.324 618 HA SER 73 HA SER 73 10.743 -9.013 -13.835 619 HB2 SER 73 2HB SER 73 8.917 -7.105 -12.296 620 HB3 SER 73 3HB SER 73 8.861 -8.872 -12.265 621 HG SER 73 HG SER 73 10.366 -7.221 -10.809 622 H LEU 74 H LEU 74 9.040 -9.970 -14.976 623 HA LEU 74 HA LEU 74 7.859 -8.449 -17.120 624 HB2 LEU 74 2HB LEU 74 8.629 -10.813 -17.426 625 HB3 LEU 74 3HB LEU 74 7.364 -11.347 -16.333 626 HG LEU 74 HG LEU 74 5.636 -10.518 -17.953 627 HD11 LEU 74 1HD1 LEU 74 6.810 -8.753 -19.095 628 HD12 LEU 74 2HD1 LEU 74 6.322 -9.957 -20.281 629 HD13 LEU 74 3HD1 LEU 74 8.000 -9.886 -19.739 630 HD21 LEU 74 1HD2 LEU 74 6.287 -12.869 -17.996 631 HD22 LEU 74 2HD2 LEU 74 7.595 -12.515 -19.124 632 HD23 LEU 74 3HD2 LEU 74 5.916 -12.303 -19.625 633 H SER 75 H SER 75 6.575 -6.978 -16.102 634 HA SER 75 HA SER 75 3.898 -7.810 -15.247 635 HB2 SER 75 2HB SER 75 5.709 -5.976 -13.578 636 HB3 SER 75 3HB SER 75 4.007 -6.290 -13.245 637 HG SER 75 HG SER 75 5.071 -8.654 -13.373 638 H SER 76 H SER 76 3.004 -5.163 -14.620 639 HA SER 76 HA SER 76 3.075 -3.699 -17.073 640 HB2 SER 76 2HB SER 76 1.151 -3.463 -15.527 641 HB3 SER 76 3HB SER 76 2.210 -2.834 -14.267 642 HG SER 76 HG SER 76 2.515 -0.996 -15.436 643 H THR 77 H THR 77 5.185 -3.257 -17.641 644 HA THR 77 HA THR 77 7.229 -2.441 -15.807 645 HB THR 77 HB THR 77 8.671 -2.210 -17.837 646 HG1 THR 77 HG1 THR 77 6.794 -3.232 -19.596 647 HG21 THR 77 1HG2 THR 77 6.999 -4.752 -17.829 648 HG22 THR 77 2HG2 THR 77 8.434 -4.455 -16.843 649 HG23 THR 77 3HG2 THR 77 8.577 -4.565 -18.599 650 HA PRO 78 HA PRO 78 6.637 2.015 -16.655 651 HB2 PRO 78 2HB PRO 78 7.594 2.971 -14.281 652 HB3 PRO 78 3HB PRO 78 5.945 2.343 -14.448 653 HG2 PRO 78 2HG PRO 78 8.255 1.128 -13.079 654 HG3 PRO 78 3HG PRO 78 6.523 0.842 -12.836 655 HD2 PRO 78 2HD PRO 78 8.385 -0.767 -14.364 656 HD3 PRO 78 3HD PRO 78 6.652 -1.057 -14.101 657 H GLN 79 H GLN 79 8.150 2.376 -18.193 658 HA GLN 79 HA GLN 79 10.835 1.907 -18.314 659 HB2 GLN 79 2HB GLN 79 11.052 3.685 -19.990 660 HB3 GLN 79 3HB GLN 79 9.565 2.784 -20.243 661 HG2 GLN 79 2HG GLN 79 8.221 4.607 -19.375 662 HG3 GLN 79 3HG GLN 79 9.655 5.466 -18.827 663 HE21 GLN 79 1HE2 GLN 79 7.774 4.516 -21.622 664 HE22 GLN 79 2HE2 GLN 79 8.459 5.664 -22.716 665 H ALA 80 H ALA 80 12.632 2.658 -17.392 666 HA ALA 80 HA ALA 80 12.534 5.002 -15.575 667 HB1 ALA 80 1HB ALA 80 14.285 2.521 -15.400 668 HB2 ALA 80 2HB ALA 80 12.879 2.864 -14.391 669 HB3 ALA 80 3HB ALA 80 14.317 3.882 -14.277 670 HA PRO 81 HA PRO 81 15.498 6.303 -18.921 671 HB2 PRO 81 2HB PRO 81 14.621 9.049 -18.127 672 HB3 PRO 81 3HB PRO 81 14.592 8.277 -19.727 673 HG2 PRO 81 2HG PRO 81 12.314 8.743 -18.396 674 HG3 PRO 81 3HG PRO 81 12.519 7.265 -19.371 675 HD2 PRO 81 2HD PRO 81 12.814 7.598 -16.375 676 HD3 PRO 81 3HD PRO 81 11.929 6.350 -17.286 677 H VAL 82 H VAL 82 17.069 5.480 -17.437 678 HA VAL 82 HA VAL 82 18.622 7.427 -15.924 679 HB VAL 82 HB VAL 82 16.874 6.566 -14.298 680 HG11 VAL 82 1HG1 VAL 82 16.983 4.253 -13.444 681 HG12 VAL 82 2HG1 VAL 82 18.211 3.857 -14.650 682 HG13 VAL 82 3HG1 VAL 82 16.581 4.293 -15.164 683 HG21 VAL 82 1HG2 VAL 82 19.733 5.810 -13.578 684 HG22 VAL 82 2HG2 VAL 82 18.420 6.090 -12.428 685 HG23 VAL 82 3HG2 VAL 82 19.010 7.413 -13.435 686 H SER 83 H SER 83 20.744 6.461 -15.296 687 HA SER 83 HA SER 83 21.913 4.700 -17.152 688 HB2 SER 83 2HB SER 83 23.834 4.650 -15.461 689 HB3 SER 83 3HB SER 83 23.337 6.268 -15.963 690 HG SER 83 HG SER 83 22.349 4.993 -13.617 691 H LYS 84 H LYS 84 20.967 2.750 -17.346 692 HA LYS 84 HA LYS 84 20.795 0.912 -15.030 693 HB2 LYS 84 2HB LYS 84 18.635 0.072 -15.909 694 HB3 LYS 84 3HB LYS 84 18.532 1.794 -15.561 695 HG2 LYS 84 2HG LYS 84 18.970 2.222 -18.027 696 HG3 LYS 84 3HG LYS 84 18.770 0.489 -18.290 697 HD2 LYS 84 2HD LYS 84 16.447 0.614 -17.466 698 HD3 LYS 84 3HD LYS 84 16.655 2.334 -17.106 699 HE2 LYS 84 2HE LYS 84 17.124 2.720 -19.550 700 HE3 LYS 84 3HE LYS 84 16.717 1.031 -19.848 701 HZ1 LYS 84 1HZ LYS 84 14.902 3.082 -18.718 702 HZ2 LYS 84 2HZ LYS 84 14.498 1.468 -18.990 703 HZ3 LYS 84 3HZ LYS 84 14.857 2.476 -20.295 704 H ARG 85 H ARG 85 20.921 -1.352 -15.650 705 HA ARG 85 HA ARG 85 22.828 -1.786 -17.765 706 HB2 ARG 85 2HB ARG 85 22.880 -3.024 -15.563 707 HB3 ARG 85 3HB ARG 85 21.417 -3.874 -16.049 708 HG2 ARG 85 2HG ARG 85 23.403 -5.267 -16.411 709 HG3 ARG 85 3HG ARG 85 22.617 -4.891 -17.946 710 HD2 ARG 85 2HD ARG 85 25.087 -4.756 -18.081 711 HD3 ARG 85 3HD ARG 85 24.325 -3.204 -18.441 712 HE ARG 85 HE ARG 85 24.849 -2.996 -15.804 713 HH11 ARG 85 1HH1 ARG 85 26.980 -3.910 -18.467 714 HH12 ARG 85 2HH1 ARG 85 28.397 -3.293 -17.680 715 HH21 ARG 85 1HH2 ARG 85 26.708 -2.169 -14.819 716 HH22 ARG 85 2HH2 ARG 85 28.242 -2.310 -15.622 717 H ARG 86 H ARG 86 21.771 -1.243 -19.635 718 HA ARG 86 HA ARG 86 19.395 -2.287 -20.712 719 HB2 ARG 86 2HB ARG 86 20.439 -1.754 -22.951 720 HB3 ARG 86 3HB ARG 86 20.488 -0.418 -21.808 721 HG2 ARG 86 2HG ARG 86 22.836 -0.760 -21.372 722 HG3 ARG 86 3HG ARG 86 22.849 -2.267 -22.290 723 HD2 ARG 86 2HD ARG 86 22.370 0.507 -23.434 724 HD3 ARG 86 3HD ARG 86 23.856 -0.435 -23.575 725 HE ARG 86 HE ARG 86 21.261 -1.140 -24.818 726 HH11 ARG 86 1HH1 ARG 86 24.803 -1.340 -24.841 727 HH12 ARG 86 2HH1 ARG 86 24.847 -2.196 -26.352 728 HH21 ARG 86 1HH2 ARG 86 21.366 -2.292 -26.769 729 HH22 ARG 86 2HH2 ARG 86 22.911 -2.729 -27.432 730 H ALA 87 H ALA 87 18.924 -4.185 -21.791 731 HA ALA 87 HA ALA 87 19.022 -6.318 -22.547 732 HB1 ALA 87 1HB ALA 87 20.664 -5.417 -24.154 733 HB2 ALA 87 2HB ALA 87 21.037 -7.087 -23.728 734 HB3 ALA 87 3HB ALA 87 21.973 -5.764 -23.024 735 H ALA 88 H ALA 88 19.498 -5.733 -19.690 736 HA ALA 88 HA ALA 88 21.366 -7.625 -18.623 737 HB1 ALA 88 1HB ALA 88 20.437 -7.038 -16.443 738 HB2 ALA 88 2HB ALA 88 19.064 -6.234 -17.207 739 HB3 ALA 88 3HB ALA 88 20.688 -5.578 -17.403 Start of MODEL 3 1 H1 ILE 1 1H ILE 1 -12.734 30.511 19.457 2 H2 ILE 1 2H ILE 1 -12.678 30.899 21.102 3 H3 ILE 1 3H ILE 1 -12.780 29.285 20.612 4 HA ILE 1 HA ILE 1 -10.533 31.099 20.043 5 HB ILE 1 HB ILE 1 -9.232 29.615 21.654 6 HG12 ILE 1 2HG1 ILE 1 -12.016 28.648 22.499 7 HG13 ILE 1 3HG1 ILE 1 -10.782 27.665 21.724 8 HG21 ILE 1 1HG2 ILE 1 -10.005 30.759 23.698 9 HG22 ILE 1 2HG2 ILE 1 -11.501 31.219 22.884 10 HG23 ILE 1 3HG2 ILE 1 -9.957 31.868 22.324 11 HD11 ILE 1 1HD1 ILE 1 -10.606 28.865 24.495 12 HD12 ILE 1 2HD1 ILE 1 -9.351 27.905 23.705 13 HD13 ILE 1 3HD1 ILE 1 -10.910 27.177 24.086 14 H LEU 2 H LEU 2 -9.398 30.465 18.315 15 HA LEU 2 HA LEU 2 -9.599 27.769 17.201 16 HB2 LEU 2 2HB LEU 2 -8.097 30.278 16.348 17 HB3 LEU 2 3HB LEU 2 -7.769 28.732 15.594 18 HG LEU 2 HG LEU 2 -9.252 29.991 14.154 19 HD11 LEU 2 1HD1 LEU 2 -9.622 27.589 14.215 20 HD12 LEU 2 2HD1 LEU 2 -11.119 28.456 13.887 21 HD13 LEU 2 3HD1 LEU 2 -10.826 27.784 15.494 22 HD21 LEU 2 1HD2 LEU 2 -11.182 30.232 16.482 23 HD22 LEU 2 2HD2 LEU 2 -11.497 30.750 14.823 24 HD23 LEU 2 3HD2 LEU 2 -10.234 31.538 15.768 25 H GLU 3 H GLU 3 -8.400 26.177 18.004 26 HA GLU 3 HA GLU 3 -6.303 26.548 19.901 27 HB2 GLU 3 2HB GLU 3 -7.426 24.089 18.501 28 HB3 GLU 3 3HB GLU 3 -6.138 23.988 19.698 29 HG2 GLU 3 2HG GLU 3 -8.911 25.117 20.195 30 HG3 GLU 3 3HG GLU 3 -8.371 23.500 20.650 31 H ALA 4 H ALA 4 -4.688 27.731 18.862 32 HA ALA 4 HA ALA 4 -3.245 26.807 16.563 33 HB1 ALA 4 1HB ALA 4 -1.581 28.522 17.197 34 HB2 ALA 4 2HB ALA 4 -2.401 28.753 18.743 35 HB3 ALA 4 3HB ALA 4 -3.220 29.178 17.239 36 H HIS 5 H HIS 5 -2.511 24.759 16.750 37 HA HIS 5 HA HIS 5 -1.961 23.470 19.217 38 HB2 HIS 5 2HB HIS 5 -1.398 22.499 16.388 39 HB3 HIS 5 3HB HIS 5 -1.440 21.489 17.830 40 HD1 HIS 5 HD1 HIS 5 -3.941 21.721 19.129 41 HD2 HIS 5 HD2 HIS 5 -3.760 22.442 15.046 42 HE1 HIS 5 HE1 HIS 5 -6.288 21.478 18.290 43 HE2 HIS 5 HE2 HIS 5 -6.115 21.736 15.801 44 H TYR 6 H TYR 6 -0.194 23.670 20.387 45 HA TYR 6 HA TYR 6 2.369 24.545 19.469 46 HB2 TYR 6 2HB TYR 6 1.445 23.345 22.117 47 HB3 TYR 6 3HB TYR 6 3.104 23.871 21.836 48 HD1 TYR 6 HD1 TYR 6 3.680 26.233 21.756 49 HD2 TYR 6 HD2 TYR 6 -0.402 25.049 22.230 50 HE1 TYR 6 HE1 TYR 6 3.087 28.530 22.388 51 HE2 TYR 6 HE2 TYR 6 -0.992 27.351 22.860 52 HH TYR 6 HH TYR 6 1.162 29.986 22.453 53 H THR 7 H THR 7 0.843 21.527 19.357 54 HA THR 7 HA THR 7 3.370 20.158 18.688 55 HB THR 7 HB THR 7 1.971 18.918 20.332 56 HG1 THR 7 HG1 THR 7 3.233 17.771 18.771 57 HG21 THR 7 1HG2 THR 7 -0.190 17.866 19.606 58 HG22 THR 7 2HG2 THR 7 -0.159 18.865 18.152 59 HG23 THR 7 3HG2 THR 7 -0.308 19.622 19.736 60 H ASN 8 H ASN 8 3.607 19.296 16.616 61 HA ASN 8 HA ASN 8 2.136 20.537 14.486 62 HB2 ASN 8 2HB ASN 8 3.617 19.268 12.956 63 HB3 ASN 8 3HB ASN 8 4.542 20.102 14.194 64 HD21 ASN 8 1HD2 ASN 8 5.020 17.632 12.494 65 HD22 ASN 8 2HD2 ASN 8 5.530 16.431 13.624 66 H LEU 9 H LEU 9 0.486 19.726 13.300 67 HA LEU 9 HA LEU 9 -0.867 17.306 14.036 68 HB2 LEU 9 2HB LEU 9 -1.331 19.135 11.640 69 HB3 LEU 9 3HB LEU 9 -2.421 17.868 12.182 70 HG LEU 9 HG LEU 9 -1.755 20.436 13.687 71 HD11 LEU 9 1HD1 LEU 9 -4.357 19.556 12.402 72 HD12 LEU 9 2HD1 LEU 9 -3.255 20.787 11.780 73 HD13 LEU 9 3HD1 LEU 9 -4.087 21.050 13.310 74 HD21 LEU 9 1HD2 LEU 9 -3.604 18.178 14.533 75 HD22 LEU 9 2HD2 LEU 9 -3.424 19.729 15.357 76 HD23 LEU 9 3HD2 LEU 9 -2.066 18.611 15.289 77 H LYS 10 H LYS 10 0.621 15.708 13.736 78 HA LYS 10 HA LYS 10 2.087 15.242 11.320 79 HB2 LYS 10 2HB LYS 10 2.884 13.222 12.407 80 HB3 LYS 10 3HB LYS 10 2.875 14.534 13.576 81 HG2 LYS 10 2HG LYS 10 0.632 13.598 14.411 82 HG3 LYS 10 3HG LYS 10 0.956 12.194 13.396 83 HD2 LYS 10 2HD LYS 10 1.640 11.736 15.694 84 HD3 LYS 10 3HD LYS 10 3.057 11.780 14.647 85 HE2 LYS 10 2HE LYS 10 3.621 14.022 15.453 86 HE3 LYS 10 3HE LYS 10 2.137 14.085 16.406 87 HZ1 LYS 10 1HZ LYS 10 4.016 13.541 17.792 88 HZ2 LYS 10 2HZ LYS 10 4.402 12.206 16.827 89 HZ3 LYS 10 3HZ LYS 10 2.968 12.224 17.723 90 H CYS 11 H CYS 11 1.869 13.178 9.989 91 HA CYS 11 HA CYS 11 -0.836 12.922 9.053 92 HB2 CYS 11 2HB CYS 11 1.547 11.167 8.318 93 HB3 CYS 11 3HB CYS 11 0.070 11.395 7.381 94 H ARG 12 H ARG 12 -2.238 11.933 10.382 95 HA ARG 12 HA ARG 12 -1.612 9.402 11.721 96 HB2 ARG 12 2HB ARG 12 -2.939 11.511 12.722 97 HB3 ARG 12 3HB ARG 12 -4.309 10.785 11.904 98 HG2 ARG 12 2HG ARG 12 -2.627 9.469 14.073 99 HG3 ARG 12 3HG ARG 12 -4.219 10.193 14.292 100 HD2 ARG 12 2HD ARG 12 -3.552 7.715 12.671 101 HD3 ARG 12 3HD ARG 12 -4.431 7.781 14.203 102 HE ARG 12 HE ARG 12 -5.697 9.349 12.163 103 HH11 ARG 12 1HH1 ARG 12 -5.385 6.029 13.301 104 HH12 ARG 12 2HH1 ARG 12 -6.894 5.531 12.607 105 HH21 ARG 12 1HH2 ARG 12 -7.646 8.665 11.239 106 HH22 ARG 12 2HH2 ARG 12 -8.167 7.023 11.442 107 H CYS 13 H CYS 13 -2.029 7.559 10.595 108 HA CYS 13 HA CYS 13 -4.297 7.493 8.681 109 HB2 CYS 13 2HB CYS 13 -2.046 7.209 7.600 110 HB3 CYS 13 3HB CYS 13 -1.801 5.757 8.568 111 H SER 14 H SER 14 -5.209 5.256 8.419 112 HA SER 14 HA SER 14 -6.380 4.378 10.790 113 HB2 SER 14 2HB SER 14 -6.129 2.840 8.172 114 HB3 SER 14 3HB SER 14 -7.378 2.613 9.403 115 HG SER 14 HG SER 14 -7.909 4.896 8.981 116 H GLY 15 H GLY 15 -3.503 3.249 9.143 117 HA2 GLY 15 2HA GLY 15 -1.738 2.347 10.640 118 HA3 GLY 15 3HA GLY 15 -2.960 1.247 11.274 119 H VAL 16 H VAL 16 -1.167 -0.262 10.592 120 HA VAL 16 HA VAL 16 -1.016 -0.847 7.700 121 HB VAL 16 HB VAL 16 0.678 -1.922 10.024 122 HG11 VAL 16 1HG1 VAL 16 1.090 -2.271 7.028 123 HG12 VAL 16 2HG1 VAL 16 0.568 -3.530 8.149 124 HG13 VAL 16 3HG1 VAL 16 2.186 -2.840 8.292 125 HG21 VAL 16 1HG2 VAL 16 1.100 0.481 9.656 126 HG22 VAL 16 2HG2 VAL 16 1.403 0.179 7.943 127 HG23 VAL 16 3HG2 VAL 16 2.499 -0.479 9.158 128 H ILE 17 H ILE 17 -2.060 -2.611 6.910 129 HA ILE 17 HA ILE 17 -3.638 -4.280 8.708 130 HB ILE 17 HB ILE 17 -4.711 -5.227 6.720 131 HG12 ILE 17 2HG1 ILE 17 -2.876 -3.525 4.955 132 HG13 ILE 17 3HG1 ILE 17 -2.652 -5.249 5.215 133 HG21 ILE 17 1HG2 ILE 17 -5.775 -3.182 5.826 134 HG22 ILE 17 2HG2 ILE 17 -4.459 -2.205 6.481 135 HG23 ILE 17 3HG2 ILE 17 -5.542 -3.068 7.574 136 HD11 ILE 17 1HD1 ILE 17 -4.995 -3.916 3.861 137 HD12 ILE 17 2HD1 ILE 17 -4.887 -5.643 4.219 138 HD13 ILE 17 3HD1 ILE 17 -3.729 -4.895 3.118 139 H SER 18 H SER 18 -3.355 -6.421 9.100 140 HA SER 18 HA SER 18 -0.797 -7.678 8.433 141 HB2 SER 18 2HB SER 18 -1.583 -9.411 10.126 142 HB3 SER 18 3HB SER 18 -1.431 -7.775 10.763 143 HG SER 18 HG SER 18 -3.501 -7.725 11.135 144 H THR 19 H THR 19 -3.834 -7.567 7.042 145 HA THR 19 HA THR 19 -3.872 -10.285 5.974 146 HB THR 19 HB THR 19 -5.677 -7.885 5.371 147 HG1 THR 19 HG1 THR 19 -5.750 -9.944 7.303 148 HG21 THR 19 1HG2 THR 19 -5.783 -9.539 3.538 149 HG22 THR 19 2HG2 THR 19 -7.278 -9.556 4.475 150 HG23 THR 19 3HG2 THR 19 -6.085 -10.831 4.714 151 H VAL 20 H VAL 20 -3.325 -10.817 3.876 152 HA VAL 20 HA VAL 20 -1.813 -8.919 2.244 153 HB VAL 20 HB VAL 20 -2.475 -11.866 1.716 154 HG11 VAL 20 1HG1 VAL 20 -0.683 -11.777 -0.005 155 HG12 VAL 20 2HG1 VAL 20 -0.507 -10.043 0.273 156 HG13 VAL 20 3HG1 VAL 20 -2.012 -10.679 -0.390 157 HG21 VAL 20 1HG2 VAL 20 0.057 -10.615 2.844 158 HG22 VAL 20 2HG2 VAL 20 -0.095 -12.303 2.353 159 HG23 VAL 20 3HG2 VAL 20 -1.053 -11.684 3.697 160 H VAL 21 H VAL 21 -2.972 -7.580 1.018 161 HA VAL 21 HA VAL 21 -5.701 -8.024 0.213 162 HB VAL 21 HB VAL 21 -4.977 -5.748 0.704 163 HG11 VAL 21 1HG1 VAL 21 -3.331 -4.532 -0.715 164 HG12 VAL 21 2HG1 VAL 21 -2.977 -6.050 -1.550 165 HG13 VAL 21 3HG1 VAL 21 -2.636 -5.891 0.170 166 HG21 VAL 21 1HG2 VAL 21 -5.570 -5.978 -2.274 167 HG22 VAL 21 2HG2 VAL 21 -5.765 -4.518 -1.299 168 HG23 VAL 21 3HG2 VAL 21 -6.768 -5.933 -0.977 169 H GLY 22 H GLY 22 -6.524 -8.507 -1.809 170 HA2 GLY 22 2HA GLY 22 -5.144 -10.245 -3.529 171 HA3 GLY 22 3HA GLY 22 -6.697 -9.494 -3.857 172 H LEU 23 H LEU 23 -3.772 -9.849 -5.155 173 HA LEU 23 HA LEU 23 -2.962 -7.210 -5.846 174 HB2 LEU 23 2HB LEU 23 -2.146 -9.937 -6.840 175 HB3 LEU 23 3HB LEU 23 -1.606 -8.497 -7.689 176 HG LEU 23 HG LEU 23 -0.619 -7.687 -5.467 177 HD11 LEU 23 1HD1 LEU 23 -1.100 -10.533 -4.576 178 HD12 LEU 23 2HD1 LEU 23 -1.771 -9.061 -3.866 179 HD13 LEU 23 3HD1 LEU 23 -0.044 -9.372 -3.766 180 HD21 LEU 23 1HD2 LEU 23 0.766 -8.549 -7.278 181 HD22 LEU 23 2HD2 LEU 23 0.581 -10.191 -6.659 182 HD23 LEU 23 3HD2 LEU 23 1.434 -8.975 -5.704 183 H ASN 24 H ASN 24 -5.308 -9.366 -7.137 184 HA ASN 24 HA ASN 24 -5.523 -8.216 -9.751 185 HB2 ASN 24 2HB ASN 24 -7.521 -9.612 -9.985 186 HB3 ASN 24 3HB ASN 24 -6.221 -10.548 -9.267 187 HD21 ASN 24 1HD2 ASN 24 -9.100 -11.025 -9.202 188 HD22 ASN 24 2HD2 ASN 24 -9.539 -11.101 -7.532 189 H ILE 25 H ILE 25 -6.816 -7.365 -6.589 190 HA ILE 25 HA ILE 25 -8.812 -5.556 -7.831 191 HB ILE 25 HB ILE 25 -9.808 -5.220 -5.610 192 HG12 ILE 25 2HG1 ILE 25 -7.817 -7.264 -4.511 193 HG13 ILE 25 3HG1 ILE 25 -7.722 -5.532 -4.229 194 HG21 ILE 25 1HG2 ILE 25 -9.505 -8.172 -6.272 195 HG22 ILE 25 2HG2 ILE 25 -10.646 -7.052 -7.022 196 HG23 ILE 25 3HG2 ILE 25 -10.802 -7.448 -5.309 197 HD11 ILE 25 1HD1 ILE 25 -9.949 -7.352 -3.314 198 HD12 ILE 25 2HD1 ILE 25 -9.851 -5.611 -3.032 199 HD13 ILE 25 3HD1 ILE 25 -8.652 -6.688 -2.320 200 H ILE 26 H ILE 26 -5.645 -5.339 -7.113 201 HA ILE 26 HA ILE 26 -5.488 -2.771 -5.819 202 HB ILE 26 HB ILE 26 -3.437 -4.237 -7.543 203 HG12 ILE 26 2HG1 ILE 26 -4.114 -5.430 -5.428 204 HG13 ILE 26 3HG1 ILE 26 -2.408 -5.020 -5.487 205 HG21 ILE 26 1HG2 ILE 26 -2.986 -1.813 -5.751 206 HG22 ILE 26 2HG2 ILE 26 -2.895 -1.841 -7.510 207 HG23 ILE 26 3HG2 ILE 26 -1.713 -2.736 -6.556 208 HD11 ILE 26 1HD1 ILE 26 -2.938 -3.073 -4.004 209 HD12 ILE 26 2HD1 ILE 26 -3.175 -4.667 -3.310 210 HD13 ILE 26 3HD1 ILE 26 -4.566 -3.739 -3.843 211 H ASP 27 H ASP 27 -5.696 -0.788 -6.710 212 HA ASP 27 HA ASP 27 -6.146 -0.517 -9.619 213 HB2 ASP 27 2HB ASP 27 -8.021 0.287 -8.386 214 HB3 ASP 27 3HB ASP 27 -7.012 1.120 -7.213 215 H ARG 28 H ARG 28 -4.621 1.349 -6.923 216 HA ARG 28 HA ARG 28 -2.376 2.086 -8.669 217 HB2 ARG 28 2HB ARG 28 -4.330 4.145 -7.561 218 HB3 ARG 28 3HB ARG 28 -2.671 4.579 -7.945 219 HG2 ARG 28 2HG ARG 28 -3.071 3.864 -10.309 220 HG3 ARG 28 3HG ARG 28 -4.759 3.548 -9.899 221 HD2 ARG 28 2HD ARG 28 -5.117 5.907 -9.386 222 HD3 ARG 28 3HD ARG 28 -3.403 6.259 -9.633 223 HE ARG 28 HE ARG 28 -4.851 5.137 -11.913 224 HH11 ARG 28 1HH1 ARG 28 -3.610 8.040 -10.371 225 HH12 ARG 28 2HH1 ARG 28 -3.669 8.990 -11.822 226 HH21 ARG 28 1HH2 ARG 28 -4.895 6.391 -13.830 227 HH22 ARG 28 2HH2 ARG 28 -4.398 8.052 -13.786 228 H ILE 29 H ILE 29 -0.560 2.860 -7.583 229 HA ILE 29 HA ILE 29 -0.459 2.313 -4.671 230 HB ILE 29 HB ILE 29 1.778 2.052 -6.743 231 HG12 ILE 29 2HG1 ILE 29 0.242 -0.162 -5.307 232 HG13 ILE 29 3HG1 ILE 29 0.038 0.277 -6.998 233 HG21 ILE 29 1HG2 ILE 29 3.111 1.015 -4.936 234 HG22 ILE 29 2HG2 ILE 29 1.796 1.302 -3.796 235 HG23 ILE 29 3HG2 ILE 29 2.649 2.667 -4.518 236 HD11 ILE 29 1HD1 ILE 29 2.544 -0.879 -5.762 237 HD12 ILE 29 2HD1 ILE 29 2.339 -0.425 -7.457 238 HD13 ILE 29 3HD1 ILE 29 1.372 -1.726 -6.770 239 H GLN 30 H GLN 30 -0.574 4.271 -3.724 240 HA GLN 30 HA GLN 30 0.994 6.602 -4.639 241 HB2 GLN 30 2HB GLN 30 -1.355 7.026 -4.082 242 HB3 GLN 30 3HB GLN 30 -1.191 6.225 -2.528 243 HG2 GLN 30 2HG GLN 30 0.342 8.066 -1.792 244 HG3 GLN 30 3HG GLN 30 0.058 8.870 -3.333 245 HE21 GLN 30 1HE2 GLN 30 -0.780 10.699 -2.237 246 HE22 GLN 30 2HE2 GLN 30 -2.343 10.688 -1.503 247 H VAL 31 H VAL 31 2.619 7.527 -3.275 248 HA VAL 31 HA VAL 31 3.352 6.000 -0.834 249 HB VAL 31 HB VAL 31 5.002 5.617 -2.750 250 HG11 VAL 31 1HG1 VAL 31 5.746 8.526 -2.292 251 HG12 VAL 31 2HG1 VAL 31 5.147 7.808 -3.787 252 HG13 VAL 31 3HG1 VAL 31 6.735 7.363 -3.175 253 HG21 VAL 31 1HG2 VAL 31 5.587 5.175 -0.403 254 HG22 VAL 31 2HG2 VAL 31 6.132 6.843 -0.210 255 HG23 VAL 31 3HG2 VAL 31 6.992 5.754 -1.302 256 H THR 32 H THR 32 3.976 7.196 0.940 257 HA THR 32 HA THR 32 3.638 10.137 0.831 258 HB THR 32 HB THR 32 2.847 8.288 3.124 259 HG1 THR 32 HG1 THR 32 1.559 8.901 0.815 260 HG21 THR 32 1HG2 THR 32 3.339 10.616 3.836 261 HG22 THR 32 2HG2 THR 32 1.626 10.237 3.993 262 HG23 THR 32 3HG2 THR 32 2.180 11.218 2.635 263 HA PRO 33 HA PRO 33 7.851 9.569 2.544 264 HB2 PRO 33 2HB PRO 33 8.895 11.951 1.815 265 HB3 PRO 33 3HB PRO 33 8.503 10.720 0.594 266 HG2 PRO 33 2HG PRO 33 6.905 13.146 1.387 267 HG3 PRO 33 3HG PRO 33 7.282 12.536 -0.241 268 HD2 PRO 33 2HD PRO 33 4.897 12.023 1.061 269 HD3 PRO 33 3HD PRO 33 5.581 10.965 -0.193 270 HA PRO 34 HA PRO 34 7.456 11.745 6.511 271 HB2 PRO 34 2HB PRO 34 9.948 11.425 7.537 272 HB3 PRO 34 3HB PRO 34 8.869 10.031 7.295 273 HG2 PRO 34 2HG PRO 34 11.121 10.984 5.540 274 HG3 PRO 34 3HG PRO 34 10.743 9.330 6.077 275 HD2 PRO 34 2HD PRO 34 10.007 10.287 3.613 276 HD3 PRO 34 3HD PRO 34 9.081 9.042 4.480 277 H GLY 35 H GLY 35 8.623 13.554 7.799 278 HA2 GLY 35 2HA GLY 35 9.796 15.572 7.912 279 HA3 GLY 35 3HA GLY 35 10.210 15.438 6.213 280 H ASN 36 H ASN 36 7.295 14.951 5.558 281 HA ASN 36 HA ASN 36 6.411 17.749 5.387 282 HB2 ASN 36 2HB ASN 36 5.362 15.185 4.098 283 HB3 ASN 36 3HB ASN 36 4.715 16.794 3.785 284 HD21 ASN 36 1HD2 ASN 36 5.932 14.866 1.947 285 HD22 ASN 36 2HD2 ASN 36 7.256 15.688 1.205 286 H GLY 37 H GLY 37 6.280 16.116 7.909 287 HA2 GLY 37 2HA GLY 37 4.778 16.472 9.702 288 HA3 GLY 37 3HA GLY 37 3.425 16.465 8.577 289 H CYS 38 H CYS 38 4.881 14.027 7.292 290 HA CYS 38 HA CYS 38 3.340 12.084 8.764 291 HB2 CYS 38 2HB CYS 38 5.099 11.747 6.306 292 HB3 CYS 38 3HB CYS 38 3.962 10.554 6.933 293 HA PRO 39 HA PRO 39 6.688 11.355 11.612 294 HB2 PRO 39 2HB PRO 39 5.716 9.054 12.844 295 HB3 PRO 39 3HB PRO 39 5.117 10.692 13.185 296 HG2 PRO 39 2HG PRO 39 3.951 8.606 11.371 297 HG3 PRO 39 3HG PRO 39 3.125 9.676 12.526 298 HD2 PRO 39 2HD PRO 39 3.135 10.210 9.876 299 HD3 PRO 39 3HD PRO 39 3.200 11.520 11.077 300 H LYS 40 H LYS 40 5.749 8.933 9.276 301 HA LYS 40 HA LYS 40 8.501 8.116 8.916 302 HB2 LYS 40 2HB LYS 40 8.240 5.745 9.250 303 HB3 LYS 40 3HB LYS 40 7.651 6.526 10.707 304 HG2 LYS 40 2HG LYS 40 5.883 5.415 8.495 305 HG3 LYS 40 3HG LYS 40 6.281 4.568 9.990 306 HD2 LYS 40 2HD LYS 40 5.155 6.357 11.289 307 HD3 LYS 40 3HD LYS 40 4.743 7.189 9.785 308 HE2 LYS 40 2HE LYS 40 3.784 4.436 10.644 309 HE3 LYS 40 3HE LYS 40 2.827 5.918 10.615 310 HZ1 LYS 40 1HZ LYS 40 3.994 4.557 8.246 311 HZ2 LYS 40 2HZ LYS 40 3.114 6.001 8.217 312 HZ3 LYS 40 3HZ LYS 40 2.363 4.566 8.700 313 H THR 41 H THR 41 8.610 6.493 6.998 314 HA THR 41 HA THR 41 7.082 7.478 4.772 315 HB THR 41 HB THR 41 8.916 5.037 4.866 316 HG1 THR 41 HG1 THR 41 10.459 6.713 3.990 317 HG21 THR 41 1HG2 THR 41 8.137 6.839 2.532 318 HG22 THR 41 2HG2 THR 41 7.563 5.187 2.791 319 HG23 THR 41 3HG2 THR 41 9.271 5.490 2.456 320 H GLU 42 H GLU 42 5.265 6.546 3.863 321 HA GLU 42 HA GLU 42 4.458 3.813 4.541 322 HB2 GLU 42 2HB GLU 42 2.147 4.592 5.239 323 HB3 GLU 42 3HB GLU 42 3.439 4.970 6.373 324 HG2 GLU 42 2HG GLU 42 3.491 7.311 5.319 325 HG3 GLU 42 3HG GLU 42 1.991 6.870 4.511 326 H VAL 43 H VAL 43 3.774 2.850 2.779 327 HA VAL 43 HA VAL 43 3.081 4.260 0.342 328 HB VAL 43 HB VAL 43 3.190 1.267 0.954 329 HG11 VAL 43 1HG1 VAL 43 1.754 1.713 -0.990 330 HG12 VAL 43 2HG1 VAL 43 3.251 0.932 -1.494 331 HG13 VAL 43 3HG1 VAL 43 3.038 2.665 -1.740 332 HG21 VAL 43 1HG2 VAL 43 5.276 3.057 -0.345 333 HG22 VAL 43 2HG2 VAL 43 5.376 1.302 -0.234 334 HG23 VAL 43 3HG2 VAL 43 5.400 2.279 1.236 335 H VAL 44 H VAL 44 1.033 4.965 0.088 336 HA VAL 44 HA VAL 44 -1.236 3.720 1.482 337 HB VAL 44 HB VAL 44 -1.152 6.237 -0.264 338 HG11 VAL 44 1HG1 VAL 44 -3.331 6.803 0.744 339 HG12 VAL 44 2HG1 VAL 44 -3.316 5.283 1.641 340 HG13 VAL 44 3HG1 VAL 44 -3.413 5.264 -0.121 341 HG21 VAL 44 1HG2 VAL 44 -1.167 7.544 1.826 342 HG22 VAL 44 2HG2 VAL 44 0.273 6.527 1.729 343 HG23 VAL 44 3HG2 VAL 44 -1.071 6.057 2.769 344 H ILE 45 H ILE 45 -2.103 2.011 0.398 345 HA ILE 45 HA ILE 45 -1.999 1.897 -2.548 346 HB ILE 45 HB ILE 45 -2.729 -0.318 -0.584 347 HG12 ILE 45 2HG1 ILE 45 -0.070 0.121 -2.020 348 HG13 ILE 45 3HG1 ILE 45 -0.354 0.437 -0.313 349 HG21 ILE 45 1HG2 ILE 45 -2.108 -0.458 -3.553 350 HG22 ILE 45 2HG2 ILE 45 -3.696 -0.672 -2.814 351 HG23 ILE 45 3HG2 ILE 45 -2.416 -1.845 -2.505 352 HD11 ILE 45 1HD1 ILE 45 -0.781 -1.944 0.062 353 HD12 ILE 45 2HD1 ILE 45 0.811 -1.648 -0.629 354 HD13 ILE 45 3HD1 ILE 45 -0.482 -2.271 -1.650 355 H TRP 46 H TRP 46 -3.813 1.913 -3.748 356 HA TRP 46 HA TRP 46 -6.486 2.219 -2.507 357 HB2 TRP 46 2HB TRP 46 -5.287 3.387 -5.059 358 HB3 TRP 46 3HB TRP 46 -7.003 3.488 -4.671 359 HD1 TRP 46 HD1 TRP 46 -3.583 4.740 -3.310 360 HE1 TRP 46 HE1 TRP 46 -4.005 6.903 -1.989 361 HE3 TRP 46 HE3 TRP 46 -8.692 4.863 -3.562 362 HZ2 TRP 46 HZ2 TRP 46 -6.204 8.466 -1.174 363 HZ3 TRP 46 HZ3 TRP 46 -9.884 6.737 -2.497 364 HH2 TRP 46 HH2 TRP 46 -8.658 8.505 -1.326 365 H THR 47 H THR 47 -7.902 0.609 -2.989 366 HA THR 47 HA THR 47 -7.351 -1.289 -5.172 367 HB THR 47 HB THR 47 -9.393 -2.483 -4.263 368 HG1 THR 47 HG1 THR 47 -9.258 -0.854 -1.985 369 HG21 THR 47 1HG2 THR 47 -8.338 -3.258 -2.169 370 HG22 THR 47 2HG2 THR 47 -7.248 -1.873 -2.188 371 HG23 THR 47 3HG2 THR 47 -7.129 -3.104 -3.448 372 H LYS 48 H LYS 48 -9.362 -1.968 -6.505 373 HA LYS 48 HA LYS 48 -10.329 0.234 -8.033 374 HB2 LYS 48 2HB LYS 48 -11.542 -1.431 -9.368 375 HB3 LYS 48 3HB LYS 48 -9.901 -1.977 -9.055 376 HG2 LYS 48 2HG LYS 48 -10.686 -3.564 -7.378 377 HG3 LYS 48 3HG LYS 48 -12.327 -2.935 -7.496 378 HD2 LYS 48 2HD LYS 48 -12.131 -5.054 -8.709 379 HD3 LYS 48 3HD LYS 48 -12.461 -3.738 -9.836 380 HE2 LYS 48 2HE LYS 48 -10.045 -3.676 -10.433 381 HE3 LYS 48 3HE LYS 48 -9.752 -5.013 -9.315 382 HZ1 LYS 48 1HZ LYS 48 -11.309 -6.358 -10.644 383 HZ2 LYS 48 2HZ LYS 48 -9.960 -5.853 -11.528 384 HZ3 LYS 48 3HZ LYS 48 -11.448 -5.087 -11.750 385 H MET 49 H MET 49 -11.721 -1.739 -5.485 386 HA MET 49 HA MET 49 -14.313 -0.462 -5.469 387 HB2 MET 49 2HB MET 49 -14.763 -1.787 -3.484 388 HB3 MET 49 3HB MET 49 -13.936 -2.801 -4.653 389 HG2 MET 49 2HG MET 49 -11.786 -2.215 -3.297 390 HG3 MET 49 3HG MET 49 -12.907 -1.717 -2.038 391 HE1 MET 49 1HE MET 49 -15.281 -3.977 -2.724 392 HE2 MET 49 2HE MET 49 -14.842 -3.481 -1.088 393 HE3 MET 49 3HE MET 49 -14.846 -5.190 -1.524 394 H LYS 50 H LYS 50 -11.354 0.713 -4.808 395 HA LYS 50 HA LYS 50 -10.554 2.628 -4.040 396 HB2 LYS 50 2HB LYS 50 -13.471 3.446 -3.748 397 HB3 LYS 50 3HB LYS 50 -12.103 4.556 -3.706 398 HG2 LYS 50 2HG LYS 50 -12.984 2.872 -6.082 399 HG3 LYS 50 3HG LYS 50 -13.170 4.620 -5.900 400 HD2 LYS 50 2HD LYS 50 -10.705 4.893 -5.904 401 HD3 LYS 50 3HD LYS 50 -10.503 3.144 -6.050 402 HE2 LYS 50 2HE LYS 50 -11.575 3.184 -8.250 403 HE3 LYS 50 3HE LYS 50 -11.872 4.917 -8.100 404 HZ1 LYS 50 1HZ LYS 50 -9.206 3.607 -8.229 405 HZ2 LYS 50 2HZ LYS 50 -9.467 5.266 -8.044 406 HZ3 LYS 50 3HZ LYS 50 -9.951 4.492 -9.465 407 H LYS 51 H LYS 51 -11.190 0.397 -2.233 408 HA LYS 51 HA LYS 51 -11.405 1.538 0.401 409 HB2 LYS 51 2HB LYS 51 -11.983 -0.891 -0.345 410 HB3 LYS 51 3HB LYS 51 -10.256 -1.204 -0.312 411 HG2 LYS 51 2HG LYS 51 -11.760 -0.181 2.110 412 HG3 LYS 51 3HG LYS 51 -11.657 -1.899 1.733 413 HD2 LYS 51 2HD LYS 51 -9.203 -1.812 1.928 414 HD3 LYS 51 3HD LYS 51 -9.272 -0.075 2.243 415 HE2 LYS 51 2HE LYS 51 -8.990 -1.315 4.340 416 HE3 LYS 51 3HE LYS 51 -10.556 -0.509 4.314 417 HZ1 LYS 51 1HZ LYS 51 -11.589 -2.613 3.723 418 HZ2 LYS 51 2HZ LYS 51 -10.712 -2.768 5.157 419 HZ3 LYS 51 3HZ LYS 51 -10.081 -3.383 3.717 420 H VAL 52 H VAL 52 -9.790 2.328 1.571 421 HA VAL 52 HA VAL 52 -7.150 2.744 0.336 422 HB VAL 52 HB VAL 52 -8.438 4.262 2.658 423 HG11 VAL 52 1HG1 VAL 52 -6.756 6.002 2.187 424 HG12 VAL 52 2HG1 VAL 52 -6.081 5.010 0.895 425 HG13 VAL 52 3HG1 VAL 52 -5.977 4.462 2.569 426 HG21 VAL 52 1HG2 VAL 52 -8.974 6.056 1.034 427 HG22 VAL 52 2HG2 VAL 52 -9.842 4.566 0.669 428 HG23 VAL 52 3HG2 VAL 52 -8.429 5.016 -0.286 429 H ILE 53 H ILE 53 -5.392 1.816 1.249 430 HA ILE 53 HA ILE 53 -5.334 1.238 4.154 431 HB ILE 53 HB ILE 53 -3.912 -0.812 3.707 432 HG12 ILE 53 2HG1 ILE 53 -4.882 -0.538 0.821 433 HG13 ILE 53 3HG1 ILE 53 -3.238 -0.235 1.363 434 HG21 ILE 53 1HG2 ILE 53 -6.733 -0.995 2.602 435 HG22 ILE 53 2HG2 ILE 53 -6.278 -1.077 4.305 436 HG23 ILE 53 3HG2 ILE 53 -5.767 -2.350 3.196 437 HD11 ILE 53 1HD1 ILE 53 -3.038 -2.600 2.010 438 HD12 ILE 53 2HD1 ILE 53 -3.381 -2.374 0.298 439 HD13 ILE 53 3HD1 ILE 53 -4.666 -2.893 1.388 440 H CYS 54 H CYS 54 -3.162 1.335 5.048 441 HA CYS 54 HA CYS 54 -1.064 2.571 3.369 442 HB2 CYS 54 2HB CYS 54 -0.583 4.194 5.223 443 HB3 CYS 54 3HB CYS 54 -2.166 4.437 4.492 444 H VAL 55 H VAL 55 0.788 1.474 3.619 445 HA VAL 55 HA VAL 55 1.290 -0.075 6.096 446 HB VAL 55 HB VAL 55 2.308 -1.888 4.745 447 HG11 VAL 55 1HG1 VAL 55 -0.558 -1.297 3.925 448 HG12 VAL 55 2HG1 VAL 55 -0.039 -2.137 5.390 449 HG13 VAL 55 3HG1 VAL 55 0.242 -2.865 3.809 450 HG21 VAL 55 1HG2 VAL 55 2.989 -0.573 2.763 451 HG22 VAL 55 2HG2 VAL 55 1.298 -0.399 2.285 452 HG23 VAL 55 3HG2 VAL 55 2.053 -1.996 2.298 453 H ASN 56 H ASN 56 3.492 -0.243 6.713 454 HA ASN 56 HA ASN 56 5.310 1.782 5.669 455 HB2 ASN 56 2HB ASN 56 5.676 -0.310 7.867 456 HB3 ASN 56 3HB ASN 56 6.865 0.930 7.471 457 HD21 ASN 56 1HD2 ASN 56 5.468 0.462 9.974 458 HD22 ASN 56 2HD2 ASN 56 4.628 1.922 10.349 459 HA PRO 57 HA PRO 57 7.435 -0.766 2.693 460 HB2 PRO 57 2HB PRO 57 10.098 0.029 2.955 461 HB3 PRO 57 3HB PRO 57 8.841 0.967 2.123 462 HG2 PRO 57 2HG PRO 57 9.868 1.281 4.926 463 HG3 PRO 57 3HG PRO 57 9.494 2.532 3.720 464 HD2 PRO 57 2HD PRO 57 7.777 1.977 5.722 465 HD3 PRO 57 3HD PRO 57 7.191 2.409 4.100 466 H ARG 58 H ARG 58 8.013 -1.381 5.986 467 HA ARG 58 HA ARG 58 9.923 -3.545 5.633 468 HB2 ARG 58 2HB ARG 58 8.368 -2.715 8.118 469 HB3 ARG 58 3HB ARG 58 9.648 -3.928 8.072 470 HG2 ARG 58 2HG ARG 58 11.215 -2.113 7.274 471 HG3 ARG 58 3HG ARG 58 9.926 -0.947 7.585 472 HD2 ARG 58 2HD ARG 58 11.239 -2.764 9.639 473 HD3 ARG 58 3HD ARG 58 11.526 -1.033 9.443 474 HE ARG 58 HE ARG 58 8.768 -1.517 9.875 475 HH11 ARG 58 1HH1 ARG 58 11.819 -1.466 11.642 476 HH12 ARG 58 2HH1 ARG 58 11.065 -1.103 13.160 477 HH21 ARG 58 1HH2 ARG 58 7.797 -1.091 11.886 478 HH22 ARG 58 2HH2 ARG 58 8.789 -0.892 13.298 479 H ALA 59 H ALA 59 6.523 -3.252 5.361 480 HA ALA 59 HA ALA 59 5.672 -5.872 6.054 481 HB1 ALA 59 1HB ALA 59 4.037 -4.085 5.655 482 HB2 ALA 59 2HB ALA 59 3.728 -5.412 4.534 483 HB3 ALA 59 3HB ALA 59 4.547 -3.950 3.974 484 H LYS 60 H LYS 60 6.405 -7.737 5.158 485 HA LYS 60 HA LYS 60 8.130 -7.615 2.846 486 HB2 LYS 60 2HB LYS 60 7.423 -9.992 4.599 487 HB3 LYS 60 3HB LYS 60 8.631 -10.000 3.314 488 HG2 LYS 60 2HG LYS 60 9.639 -7.938 4.697 489 HG3 LYS 60 3HG LYS 60 8.739 -8.676 6.022 490 HD2 LYS 60 2HD LYS 60 11.041 -9.464 6.056 491 HD3 LYS 60 3HD LYS 60 9.976 -10.809 5.636 492 HE2 LYS 60 2HE LYS 60 12.058 -10.741 4.257 493 HE3 LYS 60 3HE LYS 60 10.597 -10.611 3.278 494 HZ1 LYS 60 1HZ LYS 60 10.942 -8.245 3.089 495 HZ2 LYS 60 2HZ LYS 60 12.356 -9.041 2.617 496 HZ3 LYS 60 3HZ LYS 60 12.271 -8.304 4.133 497 H TRP 61 H TRP 61 4.827 -8.565 3.355 498 HA TRP 61 HA TRP 61 4.540 -9.918 0.831 499 HB2 TRP 61 2HB TRP 61 2.104 -9.753 1.222 500 HB3 TRP 61 3HB TRP 61 2.950 -10.417 2.609 501 HD1 TRP 61 HD1 TRP 61 2.654 -9.165 4.915 502 HE1 TRP 61 HE1 TRP 61 1.211 -7.189 5.697 503 HE3 TRP 61 HE3 TRP 61 1.179 -7.350 0.355 504 HZ2 TRP 61 HZ2 TRP 61 -0.335 -5.140 4.556 505 HZ3 TRP 61 HZ3 TRP 61 -0.254 -5.366 0.288 506 HH2 TRP 61 HH2 TRP 61 -1.020 -4.286 2.346 507 H LEU 62 H LEU 62 4.823 -6.598 1.720 508 HA LEU 62 HA LEU 62 3.517 -5.419 -0.536 509 HB2 LEU 62 2HB LEU 62 4.031 -4.100 1.459 510 HB3 LEU 62 3HB LEU 62 5.749 -4.376 1.243 511 HG LEU 62 HG LEU 62 5.597 -3.046 -0.936 512 HD11 LEU 62 1HD1 LEU 62 2.853 -2.291 0.073 513 HD12 LEU 62 2HD1 LEU 62 3.201 -3.247 -1.357 514 HD13 LEU 62 3HD1 LEU 62 3.696 -1.558 -1.291 515 HD21 LEU 62 1HD2 LEU 62 5.543 -0.841 0.170 516 HD22 LEU 62 2HD2 LEU 62 6.522 -2.019 1.035 517 HD23 LEU 62 3HD2 LEU 62 4.913 -1.602 1.635 518 H GLN 63 H GLN 63 6.723 -6.831 0.013 519 HA GLN 63 HA GLN 63 7.959 -5.947 -2.374 520 HB2 GLN 63 2HB GLN 63 8.533 -8.295 -0.550 521 HB3 GLN 63 3HB GLN 63 9.429 -8.080 -2.048 522 HG2 GLN 63 2HG GLN 63 10.825 -7.090 -0.461 523 HG3 GLN 63 3HG GLN 63 10.001 -5.712 -1.170 524 HE21 GLN 63 1HE2 GLN 63 8.376 -4.648 0.094 525 HE22 GLN 63 2HE2 GLN 63 8.357 -4.799 1.814 526 H ARG 64 H ARG 64 5.536 -8.390 -1.851 527 HA ARG 64 HA ARG 64 5.731 -9.773 -4.317 528 HB2 ARG 64 2HB ARG 64 4.305 -10.550 -2.418 529 HB3 ARG 64 3HB ARG 64 3.248 -9.170 -2.652 530 HG2 ARG 64 2HG ARG 64 2.080 -10.939 -3.659 531 HG3 ARG 64 3HG ARG 64 2.818 -10.111 -5.026 532 HD2 ARG 64 2HD ARG 64 3.690 -12.711 -3.740 533 HD3 ARG 64 3HD ARG 64 3.028 -12.489 -5.357 534 HE ARG 64 HE ARG 64 5.739 -11.807 -4.441 535 HH11 ARG 64 1HH1 ARG 64 3.534 -12.174 -7.158 536 HH12 ARG 64 2HH1 ARG 64 4.801 -12.090 -8.336 537 HH21 ARG 64 1HH2 ARG 64 7.354 -11.735 -5.961 538 HH22 ARG 64 2HH2 ARG 64 6.974 -11.843 -7.648 539 H LEU 65 H LEU 65 4.015 -6.832 -3.310 540 HA LEU 65 HA LEU 65 2.761 -6.225 -5.788 541 HB2 LEU 65 2HB LEU 65 3.333 -4.660 -3.273 542 HB3 LEU 65 3HB LEU 65 2.796 -3.782 -4.681 543 HG LEU 65 HG LEU 65 0.947 -4.179 -3.136 544 HD11 LEU 65 1HD1 LEU 65 0.445 -4.022 -5.533 545 HD12 LEU 65 2HD1 LEU 65 -0.710 -5.022 -4.666 546 HD13 LEU 65 3HD1 LEU 65 0.518 -5.780 -5.671 547 HD21 LEU 65 1HD2 LEU 65 1.391 -7.161 -3.528 548 HD22 LEU 65 2HD2 LEU 65 0.033 -6.421 -2.679 549 HD23 LEU 65 3HD2 LEU 65 1.664 -6.243 -2.042 550 H LEU 66 H LEU 66 5.837 -5.266 -4.308 551 HA LEU 66 HA LEU 66 6.606 -3.335 -6.248 552 HB2 LEU 66 2HB LEU 66 8.346 -4.948 -4.328 553 HB3 LEU 66 3HB LEU 66 8.879 -3.533 -5.226 554 HG LEU 66 HG LEU 66 6.753 -3.551 -3.041 555 HD11 LEU 66 1HD1 LEU 66 9.016 -3.841 -2.139 556 HD12 LEU 66 2HD1 LEU 66 8.341 -2.280 -1.694 557 HD13 LEU 66 3HD1 LEU 66 9.552 -2.382 -2.975 558 HD21 LEU 66 1HD2 LEU 66 6.775 -1.086 -3.219 559 HD22 LEU 66 2HD2 LEU 66 6.192 -1.849 -4.691 560 HD23 LEU 66 3HD2 LEU 66 7.832 -1.196 -4.631 561 H ARG 67 H ARG 67 7.154 -6.822 -5.953 562 HA ARG 67 HA ARG 67 8.903 -7.053 -8.236 563 HB2 ARG 67 2HB ARG 67 8.953 -8.637 -6.319 564 HB3 ARG 67 3HB ARG 67 7.326 -9.163 -6.711 565 HG2 ARG 67 2HG ARG 67 8.861 -10.844 -7.462 566 HG3 ARG 67 3HG ARG 67 8.176 -10.063 -8.883 567 HD2 ARG 67 2HD ARG 67 10.873 -9.267 -7.759 568 HD3 ARG 67 3HD ARG 67 10.686 -10.605 -8.892 569 HE ARG 67 HE ARG 67 9.473 -8.244 -9.915 570 HH11 ARG 67 1HH1 ARG 67 12.649 -9.707 -9.429 571 HH12 ARG 67 2HH1 ARG 67 13.371 -8.837 -10.749 572 HH21 ARG 67 1HH2 ARG 67 10.434 -7.143 -11.615 573 HH22 ARG 67 2HH2 ARG 67 12.110 -7.380 -11.986 574 H HIS 68 H HIS 68 5.435 -7.179 -7.694 575 HA HIS 68 HA HIS 68 4.688 -8.404 -10.179 576 HB2 HIS 68 2HB HIS 68 3.299 -8.394 -8.064 577 HB3 HIS 68 3HB HIS 68 2.986 -6.686 -8.321 578 HD1 HIS 68 HD1 HIS 68 1.849 -10.052 -9.261 579 HD2 HIS 68 HD2 HIS 68 1.280 -6.169 -10.645 580 HE1 HIS 68 HE1 HIS 68 -0.197 -10.135 -10.704 581 HE2 HIS 68 HE2 HIS 68 -0.475 -7.804 -11.587 582 H VAL 69 H VAL 69 4.656 -5.013 -8.995 583 HA VAL 69 HA VAL 69 3.602 -3.949 -11.456 584 HB VAL 69 HB VAL 69 3.119 -2.914 -9.206 585 HG11 VAL 69 1HG1 VAL 69 5.943 -1.805 -9.331 586 HG12 VAL 69 2HG1 VAL 69 5.350 -2.994 -8.170 587 HG13 VAL 69 3HG1 VAL 69 4.698 -1.355 -8.159 588 HG21 VAL 69 1HG2 VAL 69 2.655 -1.669 -11.257 589 HG22 VAL 69 2HG2 VAL 69 4.302 -1.029 -11.272 590 HG23 VAL 69 3HG2 VAL 69 3.185 -0.567 -9.986 591 H GLN 70 H GLN 70 6.796 -4.247 -9.993 592 HA GLN 70 HA GLN 70 8.078 -3.030 -12.365 593 HB2 GLN 70 2HB GLN 70 8.815 -2.165 -10.126 594 HB3 GLN 70 3HB GLN 70 9.288 -3.797 -9.668 595 HG2 GLN 70 2HG GLN 70 10.873 -3.735 -11.709 596 HG3 GLN 70 3HG GLN 70 10.568 -2.000 -11.747 597 HE21 GLN 70 1HE2 GLN 70 13.092 -3.372 -11.302 598 HE22 GLN 70 2HE2 GLN 70 13.654 -2.873 -9.748 599 H SER 71 H SER 71 7.905 -4.686 -13.805 600 HA SER 71 HA SER 71 9.800 -6.855 -13.576 601 HB2 SER 71 2HB SER 71 7.749 -7.893 -12.567 602 HB3 SER 71 3HB SER 71 6.841 -7.505 -14.027 603 HG SER 71 HG SER 71 7.576 -9.641 -14.083 604 H LYS 72 H LYS 72 10.868 -6.448 -15.393 605 HA LYS 72 HA LYS 72 9.725 -5.077 -17.660 606 HB2 LYS 72 2HB LYS 72 12.018 -4.635 -16.730 607 HB3 LYS 72 3HB LYS 72 12.523 -6.229 -17.250 608 HG2 LYS 72 2HG LYS 72 11.451 -4.411 -19.381 609 HG3 LYS 72 3HG LYS 72 12.996 -3.953 -18.671 610 HD2 LYS 72 2HD LYS 72 12.384 -6.634 -19.984 611 HD3 LYS 72 3HD LYS 72 13.266 -5.306 -20.741 612 HE2 LYS 72 2HE LYS 72 15.045 -5.507 -19.045 613 HE3 LYS 72 3HE LYS 72 14.155 -6.809 -18.248 614 HZ1 LYS 72 1HZ LYS 72 15.232 -6.888 -21.017 615 HZ2 LYS 72 2HZ LYS 72 14.393 -8.140 -20.251 616 HZ3 LYS 72 3HZ LYS 72 15.906 -7.663 -19.672 617 H SER 73 H SER 73 10.133 -8.370 -16.761 618 HA SER 73 HA SER 73 9.533 -9.331 -19.507 619 HB2 SER 73 2HB SER 73 10.618 -11.489 -18.795 620 HB3 SER 73 3HB SER 73 11.739 -10.135 -18.794 621 HG SER 73 HG SER 73 10.473 -11.335 -16.551 622 H LEU 74 H LEU 74 7.308 -8.740 -18.863 623 HA LEU 74 HA LEU 74 5.926 -11.019 -17.601 624 HB2 LEU 74 2HB LEU 74 6.264 -9.039 -15.954 625 HB3 LEU 74 3HB LEU 74 5.123 -8.153 -16.939 626 HG LEU 74 HG LEU 74 4.422 -10.781 -15.537 627 HD11 LEU 74 1HD1 LEU 74 3.313 -9.457 -13.787 628 HD12 LEU 74 2HD1 LEU 74 3.918 -7.966 -14.514 629 HD13 LEU 74 3HD1 LEU 74 5.047 -9.138 -13.830 630 HD21 LEU 74 1HD2 LEU 74 2.073 -10.088 -15.849 631 HD22 LEU 74 2HD2 LEU 74 2.906 -10.236 -17.395 632 HD23 LEU 74 3HD2 LEU 74 2.609 -8.638 -16.709 633 H SER 75 H SER 75 4.988 -11.759 -19.428 634 HA SER 75 HA SER 75 3.477 -9.953 -21.198 635 HB2 SER 75 2HB SER 75 3.217 -12.049 -22.602 636 HB3 SER 75 3HB SER 75 4.896 -11.562 -22.361 637 HG SER 75 HG SER 75 5.016 -13.621 -21.829 638 H SER 76 H SER 76 1.301 -9.793 -21.029 639 HA SER 76 HA SER 76 -0.081 -11.131 -18.853 640 HB2 SER 76 2HB SER 76 -1.093 -9.047 -20.842 641 HB3 SER 76 3HB SER 76 -1.927 -9.563 -19.374 642 HG SER 76 HG SER 76 0.624 -8.321 -19.486 643 H THR 77 H THR 77 -0.998 -13.081 -19.154 644 HA THR 77 HA THR 77 -1.500 -14.330 -21.629 645 HB THR 77 HB THR 77 -2.776 -16.028 -20.240 646 HG1 THR 77 HG1 THR 77 -3.300 -14.183 -18.635 647 HG21 THR 77 1HG2 THR 77 -0.060 -15.238 -19.116 648 HG22 THR 77 2HG2 THR 77 -0.338 -16.293 -20.506 649 HG23 THR 77 3HG2 THR 77 -0.841 -16.794 -18.886 650 HA PRO 78 HA PRO 78 -5.379 -12.349 -22.806 651 HB2 PRO 78 2HB PRO 78 -6.436 -14.316 -24.476 652 HB3 PRO 78 3HB PRO 78 -5.160 -13.180 -24.959 653 HG2 PRO 78 2HG PRO 78 -4.886 -16.015 -24.005 654 HG3 PRO 78 3HG PRO 78 -4.049 -15.199 -25.344 655 HD2 PRO 78 2HD PRO 78 -2.826 -15.567 -22.972 656 HD3 PRO 78 3HD PRO 78 -2.557 -14.082 -23.917 657 H GLN 79 H GLN 79 -6.424 -12.273 -20.896 658 HA GLN 79 HA GLN 79 -8.131 -14.513 -19.999 659 HB2 GLN 79 2HB GLN 79 -8.276 -13.404 -17.803 660 HB3 GLN 79 3HB GLN 79 -6.601 -13.709 -18.230 661 HG2 GLN 79 2HG GLN 79 -6.167 -11.380 -18.600 662 HG3 GLN 79 3HG GLN 79 -7.883 -10.983 -18.610 663 HE21 GLN 79 1HE2 GLN 79 -5.097 -11.715 -16.634 664 HE22 GLN 79 2HE2 GLN 79 -5.796 -11.225 -15.130 665 H ALA 80 H ALA 80 -10.335 -14.252 -19.918 666 HA ALA 80 HA ALA 80 -11.507 -11.686 -20.779 667 HB1 ALA 80 1HB ALA 80 -12.898 -12.828 -22.456 668 HB2 ALA 80 2HB ALA 80 -12.109 -14.364 -22.087 669 HB3 ALA 80 3HB ALA 80 -11.182 -13.052 -22.812 670 HA PRO 81 HA PRO 81 -14.341 -13.292 -17.463 671 HB2 PRO 81 2HB PRO 81 -15.044 -10.850 -16.442 672 HB3 PRO 81 3HB PRO 81 -13.524 -11.644 -15.983 673 HG2 PRO 81 2HG PRO 81 -13.971 -9.461 -18.005 674 HG3 PRO 81 3HG PRO 81 -12.710 -9.594 -16.756 675 HD2 PRO 81 2HD PRO 81 -12.263 -10.258 -19.362 676 HD3 PRO 81 3HD PRO 81 -11.414 -11.055 -18.023 677 H VAL 82 H VAL 82 -16.738 -12.315 -17.076 678 HA VAL 82 HA VAL 82 -18.031 -12.042 -19.689 679 HB VAL 82 HB VAL 82 -19.311 -12.130 -16.902 680 HG11 VAL 82 1HG1 VAL 82 -20.792 -11.029 -18.538 681 HG12 VAL 82 2HG1 VAL 82 -21.441 -12.607 -18.091 682 HG13 VAL 82 3HG1 VAL 82 -20.621 -12.398 -19.641 683 HG21 VAL 82 1HG2 VAL 82 -19.913 -14.480 -17.414 684 HG22 VAL 82 2HG2 VAL 82 -18.162 -14.266 -17.411 685 HG23 VAL 82 3HG2 VAL 82 -19.031 -14.379 -18.942 686 H SER 83 H SER 83 -17.002 -10.020 -20.203 687 HA SER 83 HA SER 83 -17.487 -7.673 -18.553 688 HB2 SER 83 2HB SER 83 -16.101 -6.484 -20.266 689 HB3 SER 83 3HB SER 83 -15.283 -7.881 -19.563 690 HG SER 83 HG SER 83 -16.757 -8.234 -21.929 691 H LYS 84 H LYS 84 -19.811 -7.966 -18.769 692 HA LYS 84 HA LYS 84 -20.790 -5.990 -20.658 693 HB2 LYS 84 2HB LYS 84 -22.773 -7.331 -21.315 694 HB3 LYS 84 3HB LYS 84 -21.278 -8.042 -21.903 695 HG2 LYS 84 2HG LYS 84 -21.361 -9.799 -20.243 696 HG3 LYS 84 3HG LYS 84 -22.711 -9.026 -19.411 697 HD2 LYS 84 2HD LYS 84 -22.801 -10.181 -22.229 698 HD3 LYS 84 3HD LYS 84 -23.454 -10.956 -20.784 699 HE2 LYS 84 2HE LYS 84 -25.044 -9.066 -20.503 700 HE3 LYS 84 3HE LYS 84 -24.393 -8.309 -21.957 701 HZ1 LYS 84 1HZ LYS 84 -25.818 -10.907 -21.816 702 HZ2 LYS 84 2HZ LYS 84 -25.114 -10.273 -23.209 703 HZ3 LYS 84 3HZ LYS 84 -26.402 -9.466 -22.475 704 H ARG 85 H ARG 85 -22.753 -5.046 -19.928 705 HA ARG 85 HA ARG 85 -23.308 -5.358 -17.033 706 HB2 ARG 85 2HB ARG 85 -22.740 -2.744 -18.528 707 HB3 ARG 85 3HB ARG 85 -23.185 -2.881 -16.827 708 HG2 ARG 85 2HG ARG 85 -21.092 -4.063 -16.340 709 HG3 ARG 85 3HG ARG 85 -20.653 -4.029 -18.047 710 HD2 ARG 85 2HD ARG 85 -19.416 -2.318 -16.872 711 HD3 ARG 85 3HD ARG 85 -20.586 -1.543 -17.944 712 HE ARG 85 HE ARG 85 -21.689 -1.846 -15.350 713 HH11 ARG 85 1HH1 ARG 85 -19.309 0.114 -17.061 714 HH12 ARG 85 2HH1 ARG 85 -19.477 1.462 -15.983 715 HH21 ARG 85 1HH2 ARG 85 -21.871 -0.088 -13.932 716 HH22 ARG 85 2HH2 ARG 85 -20.933 1.348 -14.206 717 H ARG 86 H ARG 86 -25.342 -4.034 -16.446 718 HA ARG 86 HA ARG 86 -27.439 -4.484 -18.354 719 HB2 ARG 86 2HB ARG 86 -28.961 -3.484 -16.648 720 HB3 ARG 86 3HB ARG 86 -27.981 -4.801 -16.042 721 HG2 ARG 86 2HG ARG 86 -28.092 -3.224 -14.292 722 HG3 ARG 86 3HG ARG 86 -26.473 -3.062 -14.969 723 HD2 ARG 86 2HD ARG 86 -27.667 -0.889 -14.389 724 HD3 ARG 86 3HD ARG 86 -27.023 -0.997 -16.031 725 HE ARG 86 HE ARG 86 -29.821 -1.757 -15.682 726 HH11 ARG 86 1HH1 ARG 86 -27.613 0.838 -16.590 727 HH12 ARG 86 2HH1 ARG 86 -28.826 1.716 -17.467 728 HH21 ARG 86 1HH2 ARG 86 -31.353 -0.654 -16.886 729 HH22 ARG 86 2HH2 ARG 86 -30.962 0.860 -17.636 730 H ALA 87 H ALA 87 -25.318 -1.839 -17.722 731 HA ALA 87 HA ALA 87 -26.751 0.188 -19.161 732 HB1 ALA 87 1HB ALA 87 -24.578 1.352 -19.237 733 HB2 ALA 87 2HB ALA 87 -23.766 -0.100 -18.638 734 HB3 ALA 87 3HB ALA 87 -24.926 0.755 -17.618 735 H ALA 88 H ALA 88 -24.098 -2.041 -19.988 736 HA ALA 88 HA ALA 88 -25.025 -2.531 -22.653 737 HB1 ALA 88 1HB ALA 88 -23.038 -1.674 -23.865 738 HB2 ALA 88 2HB ALA 88 -22.420 -0.971 -22.369 739 HB3 ALA 88 3HB ALA 88 -23.917 -0.359 -23.070 Start of MODEL 4 1 H1 ILE 1 1H ILE 1 -17.869 1.425 6.641 2 H2 ILE 1 2H ILE 1 -18.889 2.351 5.665 3 H3 ILE 1 3H ILE 1 -18.768 2.690 7.312 4 HA ILE 1 HA ILE 1 -16.464 3.313 7.056 5 HB ILE 1 HB ILE 1 -16.987 2.882 4.069 6 HG12 ILE 1 2HG1 ILE 1 -15.043 1.464 5.962 7 HG13 ILE 1 3HG1 ILE 1 -16.513 0.771 5.284 8 HG21 ILE 1 1HG2 ILE 1 -14.466 3.974 5.404 9 HG22 ILE 1 2HG2 ILE 1 -15.612 4.908 4.440 10 HG23 ILE 1 3HG2 ILE 1 -14.665 3.632 3.681 11 HD11 ILE 1 1HD1 ILE 1 -15.514 0.956 3.025 12 HD12 ILE 1 2HD1 ILE 1 -14.583 -0.063 4.119 13 HD13 ILE 1 3HD1 ILE 1 -14.029 1.571 3.762 14 H LEU 2 H LEU 2 -16.440 5.457 7.393 15 HA LEU 2 HA LEU 2 -18.048 7.312 5.741 16 HB2 LEU 2 2HB LEU 2 -19.108 6.979 8.002 17 HB3 LEU 2 3HB LEU 2 -17.611 7.500 8.757 18 HG LEU 2 HG LEU 2 -17.917 9.759 7.590 19 HD11 LEU 2 1HD1 LEU 2 -19.441 9.044 5.810 20 HD12 LEU 2 2HD1 LEU 2 -20.122 10.370 6.746 21 HD13 LEU 2 3HD1 LEU 2 -20.704 8.721 7.001 22 HD21 LEU 2 1HD2 LEU 2 -19.573 10.606 9.189 23 HD22 LEU 2 2HD2 LEU 2 -18.444 9.492 9.957 24 HD23 LEU 2 3HD2 LEU 2 -20.080 8.952 9.560 25 H GLU 3 H GLU 3 -17.046 9.409 5.507 26 HA GLU 3 HA GLU 3 -14.136 9.463 6.046 27 HB2 GLU 3 2HB GLU 3 -13.872 10.774 3.973 28 HB3 GLU 3 3HB GLU 3 -14.612 9.209 3.641 29 HG2 GLU 3 2HG GLU 3 -16.837 10.318 3.550 30 HG3 GLU 3 3HG GLU 3 -16.059 11.870 3.810 31 H ALA 4 H ALA 4 -13.295 11.263 6.921 32 HA ALA 4 HA ALA 4 -15.078 13.282 8.072 33 HB1 ALA 4 1HB ALA 4 -13.387 12.213 9.541 34 HB2 ALA 4 2HB ALA 4 -13.109 13.946 9.400 35 HB3 ALA 4 3HB ALA 4 -12.094 12.818 8.500 36 H HIS 5 H HIS 5 -15.569 14.878 6.648 37 HA HIS 5 HA HIS 5 -13.829 15.732 4.499 38 HB2 HIS 5 2HB HIS 5 -16.550 16.756 5.434 39 HB3 HIS 5 3HB HIS 5 -15.688 17.412 4.047 40 HD1 HIS 5 HD1 HIS 5 -16.117 16.313 1.870 41 HD2 HIS 5 HD2 HIS 5 -17.281 13.920 5.056 42 HE1 HIS 5 HE1 HIS 5 -17.305 14.362 0.841 43 HE2 HIS 5 HE2 HIS 5 -18.171 13.036 2.803 44 H TYR 6 H TYR 6 -12.017 16.401 5.732 45 HA TYR 6 HA TYR 6 -12.191 19.191 6.693 46 HB2 TYR 6 2HB TYR 6 -10.587 16.966 8.053 47 HB3 TYR 6 3HB TYR 6 -10.462 18.679 8.451 48 HD1 TYR 6 HD1 TYR 6 -12.909 19.807 8.939 49 HD2 TYR 6 HD2 TYR 6 -11.911 15.690 9.528 50 HE1 TYR 6 HE1 TYR 6 -14.726 19.599 10.574 51 HE2 TYR 6 HE2 TYR 6 -13.735 15.477 11.160 52 HH TYR 6 HH TYR 6 -16.152 17.850 11.531 53 H THR 7 H THR 7 -10.346 20.430 6.318 54 HA THR 7 HA THR 7 -8.666 19.694 4.101 55 HB THR 7 HB THR 7 -8.400 22.119 5.964 56 HG1 THR 7 HG1 THR 7 -10.530 21.640 4.746 57 HG21 THR 7 1HG2 THR 7 -7.393 23.230 4.010 58 HG22 THR 7 2HG2 THR 7 -7.581 21.762 3.048 59 HG23 THR 7 3HG2 THR 7 -6.476 21.782 4.426 60 H ASN 8 H ASN 8 -7.622 17.826 4.903 61 HA ASN 8 HA ASN 8 -5.927 17.954 7.269 62 HB2 ASN 8 2HB ASN 8 -7.244 15.905 6.826 63 HB3 ASN 8 3HB ASN 8 -6.403 15.669 5.304 64 HD21 ASN 8 1HD2 ASN 8 -4.374 14.691 5.334 65 HD22 ASN 8 2HD2 ASN 8 -3.633 14.078 6.764 66 H LEU 9 H LEU 9 -4.075 19.032 7.009 67 HA LEU 9 HA LEU 9 -2.612 19.200 4.513 68 HB2 LEU 9 2HB LEU 9 -2.195 20.386 7.273 69 HB3 LEU 9 3HB LEU 9 -0.970 20.537 6.027 70 HG LEU 9 HG LEU 9 -2.689 21.737 4.585 71 HD11 LEU 9 1HD1 LEU 9 -4.761 20.993 5.604 72 HD12 LEU 9 2HD1 LEU 9 -4.655 22.749 5.677 73 HD13 LEU 9 3HD1 LEU 9 -4.341 21.785 7.125 74 HD21 LEU 9 1HD2 LEU 9 -1.991 23.049 7.231 75 HD22 LEU 9 2HD2 LEU 9 -2.460 23.892 5.750 76 HD23 LEU 9 3HD2 LEU 9 -0.960 22.969 5.798 77 H LYS 10 H LYS 10 -2.680 17.057 7.120 78 HA LYS 10 HA LYS 10 0.109 16.254 7.117 79 HB2 LYS 10 2HB LYS 10 -2.299 14.860 8.387 80 HB3 LYS 10 3HB LYS 10 -0.600 14.577 8.769 81 HG2 LYS 10 2HG LYS 10 -2.201 17.108 9.364 82 HG3 LYS 10 3HG LYS 10 -1.678 15.889 10.533 83 HD2 LYS 10 2HD LYS 10 0.163 17.688 8.897 84 HD3 LYS 10 3HD LYS 10 -0.259 17.930 10.593 85 HE2 LYS 10 2HE LYS 10 0.933 15.929 11.243 86 HE3 LYS 10 3HE LYS 10 1.162 15.443 9.563 87 HZ1 LYS 10 1HZ LYS 10 2.378 17.772 10.912 88 HZ2 LYS 10 2HZ LYS 10 2.504 17.463 9.260 89 HZ3 LYS 10 3HZ LYS 10 3.168 16.377 10.373 90 H CYS 11 H CYS 11 0.545 13.805 6.823 91 HA CYS 11 HA CYS 11 -0.534 12.828 4.313 92 HB2 CYS 11 2HB CYS 11 0.969 10.898 4.651 93 HB3 CYS 11 3HB CYS 11 1.832 12.411 4.892 94 H ARG 12 H ARG 12 -2.470 11.866 4.219 95 HA ARG 12 HA ARG 12 -3.853 10.978 6.588 96 HB2 ARG 12 2HB ARG 12 -5.813 10.735 5.263 97 HB3 ARG 12 3HB ARG 12 -5.016 12.192 4.688 98 HG2 ARG 12 2HG ARG 12 -4.204 10.973 2.696 99 HG3 ARG 12 3HG ARG 12 -4.929 9.484 3.298 100 HD2 ARG 12 2HD ARG 12 -6.317 10.561 1.557 101 HD3 ARG 12 3HD ARG 12 -7.159 10.459 3.109 102 HE ARG 12 HE ARG 12 -5.922 12.936 3.061 103 HH11 ARG 12 1HH1 ARG 12 -8.409 11.337 1.169 104 HH12 ARG 12 2HH1 ARG 12 -9.197 12.823 0.755 105 HH21 ARG 12 1HH2 ARG 12 -6.974 14.856 2.492 106 HH22 ARG 12 2HH2 ARG 12 -8.390 14.797 1.501 107 H CYS 13 H CYS 13 -4.263 8.969 7.230 108 HA CYS 13 HA CYS 13 -3.608 6.615 5.636 109 HB2 CYS 13 2HB CYS 13 -1.469 7.108 6.712 110 HB3 CYS 13 3HB CYS 13 -2.243 7.278 8.285 111 H SER 14 H SER 14 -4.650 4.714 6.416 112 HA SER 14 HA SER 14 -6.911 5.203 8.261 113 HB2 SER 14 2HB SER 14 -7.395 4.397 5.946 114 HB3 SER 14 3HB SER 14 -6.456 2.941 6.265 115 HG SER 14 HG SER 14 -7.977 2.345 7.804 116 H GLY 15 H GLY 15 -3.925 4.390 8.825 117 HA2 GLY 15 2HA GLY 15 -2.867 3.172 10.483 118 HA3 GLY 15 3HA GLY 15 -4.392 2.391 10.881 119 H VAL 16 H VAL 16 -2.347 0.707 10.895 120 HA VAL 16 HA VAL 16 -1.999 -0.457 8.200 121 HB VAL 16 HB VAL 16 -0.070 -1.712 9.074 122 HG11 VAL 16 1HG1 VAL 16 1.487 0.178 9.481 123 HG12 VAL 16 2HG1 VAL 16 0.106 1.250 9.731 124 HG13 VAL 16 3HG1 VAL 16 0.372 0.507 8.152 125 HG21 VAL 16 1HG2 VAL 16 0.834 -1.404 11.341 126 HG22 VAL 16 2HG2 VAL 16 -0.810 -2.033 11.440 127 HG23 VAL 16 3HG2 VAL 16 -0.498 -0.326 11.762 128 H ILE 17 H ILE 17 -2.520 -2.551 7.745 129 HA ILE 17 HA ILE 17 -4.021 -4.075 9.778 130 HB ILE 17 HB ILE 17 -5.616 -4.746 7.818 131 HG12 ILE 17 2HG1 ILE 17 -6.043 -2.826 6.163 132 HG13 ILE 17 3HG1 ILE 17 -4.490 -2.155 6.625 133 HG21 ILE 17 1HG2 ILE 17 -6.363 -3.454 9.753 134 HG22 ILE 17 2HG2 ILE 17 -7.139 -2.862 8.281 135 HG23 ILE 17 3HG2 ILE 17 -5.804 -1.956 9.000 136 HD11 ILE 17 1HD1 ILE 17 -4.420 -3.346 4.512 137 HD12 ILE 17 2HD1 ILE 17 -4.927 -4.830 5.314 138 HD13 ILE 17 3HD1 ILE 17 -3.373 -4.097 5.712 139 H SER 18 H SER 18 -3.925 -6.256 9.672 140 HA SER 18 HA SER 18 -1.800 -7.463 8.058 141 HB2 SER 18 2HB SER 18 -2.188 -9.431 9.600 142 HB3 SER 18 3HB SER 18 -1.741 -7.940 10.437 143 HG SER 18 HG SER 18 -3.602 -9.222 11.275 144 H THR 19 H THR 19 -5.081 -6.946 7.687 145 HA THR 19 HA THR 19 -6.061 -9.328 6.579 146 HB THR 19 HB THR 19 -6.728 -6.474 5.728 147 HG1 THR 19 HG1 THR 19 -7.314 -7.921 8.006 148 HG21 THR 19 1HG2 THR 19 -8.393 -9.018 5.480 149 HG22 THR 19 2HG2 THR 19 -7.648 -8.135 4.144 150 HG23 THR 19 3HG2 THR 19 -8.937 -7.383 5.082 151 H VAL 20 H VAL 20 -5.377 -10.408 4.839 152 HA VAL 20 HA VAL 20 -3.235 -9.457 3.176 153 HB VAL 20 HB VAL 20 -4.930 -12.004 2.932 154 HG11 VAL 20 1HG1 VAL 20 -3.927 -11.437 0.734 155 HG12 VAL 20 2HG1 VAL 20 -3.165 -12.871 1.418 156 HG13 VAL 20 3HG1 VAL 20 -2.328 -11.318 1.483 157 HG21 VAL 20 1HG2 VAL 20 -2.134 -11.615 4.087 158 HG22 VAL 20 2HG2 VAL 20 -2.948 -13.166 3.879 159 HG23 VAL 20 3HG2 VAL 20 -3.593 -11.983 5.012 160 H VAL 21 H VAL 21 -3.600 -8.009 1.624 161 HA VAL 21 HA VAL 21 -6.181 -7.851 0.240 162 HB VAL 21 HB VAL 21 -5.278 -5.738 1.148 163 HG11 VAL 21 1HG1 VAL 21 -2.877 -6.182 1.046 164 HG12 VAL 21 2HG1 VAL 21 -3.244 -4.671 0.210 165 HG13 VAL 21 3HG1 VAL 21 -2.913 -6.136 -0.717 166 HG21 VAL 21 1HG2 VAL 21 -6.702 -5.577 -0.839 167 HG22 VAL 21 2HG2 VAL 21 -5.301 -5.769 -1.897 168 HG23 VAL 21 3HG2 VAL 21 -5.454 -4.328 -0.890 169 H GLY 22 H GLY 22 -6.460 -8.375 -1.881 170 HA2 GLY 22 2HA GLY 22 -4.511 -10.106 -3.137 171 HA3 GLY 22 3HA GLY 22 -6.138 -9.753 -3.701 172 H LEU 23 H LEU 23 -3.512 -9.816 -5.086 173 HA LEU 23 HA LEU 23 -2.595 -7.257 -5.823 174 HB2 LEU 23 2HB LEU 23 -1.398 -9.434 -6.170 175 HB3 LEU 23 3HB LEU 23 -2.543 -9.849 -7.428 176 HG LEU 23 HG LEU 23 -0.872 -7.339 -7.767 177 HD11 LEU 23 1HD1 LEU 23 0.948 -8.568 -8.828 178 HD12 LEU 23 2HD1 LEU 23 0.188 -10.107 -8.412 179 HD13 LEU 23 3HD1 LEU 23 0.786 -9.040 -7.138 180 HD21 LEU 23 1HD2 LEU 23 -1.034 -7.860 -10.168 181 HD22 LEU 23 2HD2 LEU 23 -2.634 -7.789 -9.441 182 HD23 LEU 23 3HD2 LEU 23 -1.905 -9.354 -9.805 183 H ASN 24 H ASN 24 -5.272 -9.215 -6.998 184 HA ASN 24 HA ASN 24 -5.843 -7.837 -9.410 185 HB2 ASN 24 2HB ASN 24 -6.625 -10.154 -8.858 186 HB3 ASN 24 3HB ASN 24 -7.742 -9.477 -7.680 187 HD21 ASN 24 1HD2 ASN 24 -9.524 -10.373 -8.780 188 HD22 ASN 24 2HD2 ASN 24 -10.097 -9.747 -10.285 189 H ILE 25 H ILE 25 -6.653 -7.152 -6.049 190 HA ILE 25 HA ILE 25 -8.611 -5.067 -6.889 191 HB ILE 25 HB ILE 25 -9.466 -5.017 -4.582 192 HG12 ILE 25 2HG1 ILE 25 -7.662 -7.409 -3.950 193 HG13 ILE 25 3HG1 ILE 25 -7.321 -5.763 -3.430 194 HG21 ILE 25 1HG2 ILE 25 -10.639 -7.182 -4.593 195 HG22 ILE 25 2HG2 ILE 25 -9.472 -7.823 -5.753 196 HG23 ILE 25 3HG2 ILE 25 -10.538 -6.494 -6.216 197 HD11 ILE 25 1HD1 ILE 25 -8.298 -7.062 -1.649 198 HD12 ILE 25 2HD1 ILE 25 -9.719 -7.409 -2.630 199 HD13 ILE 25 3HD1 ILE 25 -9.381 -5.754 -2.113 200 H ILE 26 H ILE 26 -5.423 -5.115 -6.465 201 HA ILE 26 HA ILE 26 -5.069 -2.692 -4.905 202 HB ILE 26 HB ILE 26 -3.210 -3.926 -6.991 203 HG12 ILE 26 2HG1 ILE 26 -3.642 -5.444 -5.026 204 HG13 ILE 26 3HG1 ILE 26 -1.957 -4.970 -5.175 205 HG21 ILE 26 1HG2 ILE 26 -2.629 -1.777 -4.922 206 HG22 ILE 26 2HG2 ILE 26 -2.691 -1.562 -6.672 207 HG23 ILE 26 3HG2 ILE 26 -1.412 -2.542 -5.951 208 HD11 ILE 26 1HD1 ILE 26 -2.333 -3.306 -3.369 209 HD12 ILE 26 2HD1 ILE 26 -2.573 -4.981 -2.890 210 HD13 ILE 26 3HD1 ILE 26 -3.966 -3.949 -3.177 211 H ASP 27 H ASP 27 -5.712 -0.715 -5.628 212 HA ASP 27 HA ASP 27 -6.180 -0.171 -8.465 213 HB2 ASP 27 2HB ASP 27 -7.873 0.621 -6.887 214 HB3 ASP 27 3HB ASP 27 -6.656 1.474 -5.946 215 H ARG 28 H ARG 28 -4.409 1.400 -5.767 216 HA ARG 28 HA ARG 28 -2.083 1.888 -7.505 217 HB2 ARG 28 2HB ARG 28 -3.341 4.203 -5.961 218 HB3 ARG 28 3HB ARG 28 -1.880 4.262 -6.930 219 HG2 ARG 28 2HG ARG 28 -3.205 3.941 -8.978 220 HG3 ARG 28 3HG ARG 28 -4.677 3.788 -8.012 221 HD2 ARG 28 2HD ARG 28 -2.947 6.260 -8.360 222 HD3 ARG 28 3HD ARG 28 -4.612 6.023 -8.906 223 HE ARG 28 HE ARG 28 -3.833 6.117 -6.044 224 HH11 ARG 28 1HH1 ARG 28 -6.061 7.051 -8.599 225 HH12 ARG 28 2HH1 ARG 28 -7.119 7.899 -7.521 226 HH21 ARG 28 1HH2 ARG 28 -5.196 7.238 -4.653 227 HH22 ARG 28 2HH2 ARG 28 -6.626 8.005 -5.270 228 H ILE 29 H ILE 29 -0.181 2.375 -6.345 229 HA ILE 29 HA ILE 29 -0.227 1.810 -3.423 230 HB ILE 29 HB ILE 29 2.099 1.411 -5.378 231 HG12 ILE 29 2HG1 ILE 29 0.326 -0.741 -4.112 232 HG13 ILE 29 3HG1 ILE 29 0.168 -0.181 -5.775 233 HG21 ILE 29 1HG2 ILE 29 1.804 0.575 -2.458 234 HG22 ILE 29 2HG2 ILE 29 2.836 1.871 -3.070 235 HG23 ILE 29 3HG2 ILE 29 3.182 0.198 -3.502 236 HD11 ILE 29 1HD1 ILE 29 2.548 -1.601 -4.587 237 HD12 ILE 29 2HD1 ILE 29 2.444 -0.996 -6.243 238 HD13 ILE 29 3HD1 ILE 29 1.352 -2.266 -5.700 239 H GLN 30 H GLN 30 -0.193 3.764 -2.480 240 HA GLN 30 HA GLN 30 1.571 5.924 -3.435 241 HB2 GLN 30 2HB GLN 30 -0.767 6.567 -2.971 242 HB3 GLN 30 3HB GLN 30 -0.649 5.930 -1.335 243 HG2 GLN 30 2HG GLN 30 1.014 7.673 -0.772 244 HG3 GLN 30 3HG GLN 30 0.926 8.284 -2.425 245 HE21 GLN 30 1HE2 GLN 30 -0.754 8.068 0.648 246 HE22 GLN 30 2HE2 GLN 30 -1.947 9.265 0.288 247 H VAL 31 H VAL 31 3.354 6.509 -2.284 248 HA VAL 31 HA VAL 31 3.681 5.515 0.470 249 HB VAL 31 HB VAL 31 5.109 4.097 -0.984 250 HG11 VAL 31 1HG1 VAL 31 6.563 6.657 -1.754 251 HG12 VAL 31 2HG1 VAL 31 5.710 5.550 -2.834 252 HG13 VAL 31 3HG1 VAL 31 7.186 5.030 -2.034 253 HG21 VAL 31 1HG2 VAL 31 7.203 4.318 0.315 254 HG22 VAL 31 2HG2 VAL 31 5.777 4.483 1.342 255 HG23 VAL 31 3HG2 VAL 31 6.695 5.918 0.867 256 H THR 32 H THR 32 4.095 7.087 1.871 257 HA THR 32 HA THR 32 4.980 9.737 0.945 258 HB THR 32 HB THR 32 4.081 10.536 3.171 259 HG1 THR 32 HG1 THR 32 3.950 8.830 4.494 260 HG21 THR 32 1HG2 THR 32 2.666 10.731 1.151 261 HG22 THR 32 2HG2 THR 32 1.685 10.389 2.578 262 HG23 THR 32 3HG2 THR 32 2.038 9.100 1.425 263 HA PRO 33 HA PRO 33 8.831 8.479 3.111 264 HB2 PRO 33 2HB PRO 33 10.439 10.470 2.162 265 HB3 PRO 33 3HB PRO 33 9.934 9.116 1.123 266 HG2 PRO 33 2HG PRO 33 8.799 11.906 1.271 267 HG3 PRO 33 3HG PRO 33 9.196 10.924 -0.159 268 HD2 PRO 33 2HD PRO 33 6.643 11.140 0.834 269 HD3 PRO 33 3HD PRO 33 7.220 9.707 -0.042 270 HA PRO 34 HA PRO 34 8.799 11.155 6.758 271 HB2 PRO 34 2HB PRO 34 11.482 11.345 7.457 272 HB3 PRO 34 3HB PRO 34 10.474 9.918 7.774 273 HG2 PRO 34 2HG PRO 34 12.398 10.405 5.511 274 HG3 PRO 34 3HG PRO 34 12.172 8.941 6.496 275 HD2 PRO 34 2HD PRO 34 11.111 9.128 4.026 276 HD3 PRO 34 3HD PRO 34 10.244 8.290 5.332 277 H GLY 35 H GLY 35 8.018 12.910 5.491 278 HA2 GLY 35 2HA GLY 35 9.085 15.380 5.903 279 HA3 GLY 35 3HA GLY 35 9.676 14.909 4.308 280 H ASN 36 H ASN 36 8.212 17.018 4.133 281 HA ASN 36 HA ASN 36 6.494 18.003 3.063 282 HB2 ASN 36 2HB ASN 36 5.651 15.189 2.221 283 HB3 ASN 36 3HB ASN 36 5.018 16.686 1.536 284 HD21 ASN 36 1HD2 ASN 36 7.693 14.483 1.633 285 HD22 ASN 36 2HD2 ASN 36 8.606 15.187 0.347 286 H GLY 37 H GLY 37 6.200 16.949 5.885 287 HA2 GLY 37 2HA GLY 37 4.497 17.455 7.445 288 HA3 GLY 37 3HA GLY 37 3.277 17.329 6.188 289 H CYS 38 H CYS 38 5.434 14.729 6.065 290 HA CYS 38 HA CYS 38 3.786 13.049 7.854 291 HB2 CYS 38 2HB CYS 38 3.746 12.612 5.259 292 HB3 CYS 38 3HB CYS 38 5.329 11.891 5.529 293 HA PRO 39 HA PRO 39 7.842 13.051 9.868 294 HB2 PRO 39 2HB PRO 39 7.157 11.963 12.240 295 HB3 PRO 39 3HB PRO 39 6.527 13.557 11.764 296 HG2 PRO 39 2HG PRO 39 5.159 10.870 11.622 297 HG3 PRO 39 3HG PRO 39 4.524 12.426 12.210 298 HD2 PRO 39 2HD PRO 39 4.045 11.460 9.661 299 HD3 PRO 39 3HD PRO 39 4.031 13.187 10.077 300 H LYS 40 H LYS 40 6.513 10.419 8.412 301 HA LYS 40 HA LYS 40 8.727 8.630 9.021 302 HB2 LYS 40 2HB LYS 40 7.296 6.742 9.670 303 HB3 LYS 40 3HB LYS 40 7.081 8.080 10.797 304 HG2 LYS 40 2HG LYS 40 4.956 8.684 9.756 305 HG3 LYS 40 3HG LYS 40 5.179 7.455 8.501 306 HD2 LYS 40 2HD LYS 40 5.083 5.679 10.228 307 HD3 LYS 40 3HD LYS 40 4.862 6.905 11.483 308 HE2 LYS 40 2HE LYS 40 2.725 7.574 10.431 309 HE3 LYS 40 3HE LYS 40 2.952 6.340 9.186 310 HZ1 LYS 40 1HZ LYS 40 2.916 4.664 10.943 311 HZ2 LYS 40 2HZ LYS 40 1.485 5.549 10.896 312 HZ3 LYS 40 3HZ LYS 40 2.624 5.859 12.099 313 H THR 41 H THR 41 8.516 6.582 7.669 314 HA THR 41 HA THR 41 7.472 7.083 4.988 315 HB THR 41 HB THR 41 8.810 4.552 6.057 316 HG1 THR 41 HG1 THR 41 10.255 6.233 6.326 317 HG21 THR 41 1HG2 THR 41 8.563 5.617 3.207 318 HG22 THR 41 2HG2 THR 41 7.633 4.270 3.873 319 HG23 THR 41 3HG2 THR 41 9.383 4.132 3.699 320 H GLU 42 H GLU 42 5.380 6.522 4.496 321 HA GLU 42 HA GLU 42 4.127 4.191 5.826 322 HB2 GLU 42 2HB GLU 42 3.283 6.314 6.859 323 HB3 GLU 42 3HB GLU 42 2.752 6.865 5.275 324 HG2 GLU 42 2HG GLU 42 0.867 5.989 6.588 325 HG3 GLU 42 3HG GLU 42 1.126 5.023 5.136 326 H VAL 43 H VAL 43 3.081 2.819 4.463 327 HA VAL 43 HA VAL 43 2.935 3.534 1.586 328 HB VAL 43 HB VAL 43 2.764 0.745 2.833 329 HG11 VAL 43 1HG1 VAL 43 1.610 0.920 0.646 330 HG12 VAL 43 2HG1 VAL 43 3.063 -0.067 0.504 331 HG13 VAL 43 3HG1 VAL 43 3.068 1.596 -0.084 332 HG21 VAL 43 1HG2 VAL 43 5.068 0.387 1.992 333 HG22 VAL 43 2HG2 VAL 43 5.023 1.690 3.182 334 HG23 VAL 43 3HG2 VAL 43 5.144 2.071 1.460 335 H VAL 44 H VAL 44 1.019 4.507 1.349 336 HA VAL 44 HA VAL 44 -1.459 3.474 2.520 337 HB VAL 44 HB VAL 44 -0.947 5.937 0.777 338 HG11 VAL 44 1HG1 VAL 44 -3.290 5.198 0.626 339 HG12 VAL 44 2HG1 VAL 44 -3.180 6.718 1.516 340 HG13 VAL 44 3HG1 VAL 44 -3.419 5.202 2.389 341 HG21 VAL 44 1HG2 VAL 44 -1.269 5.783 3.806 342 HG22 VAL 44 2HG2 VAL 44 -1.102 7.266 2.861 343 HG23 VAL 44 3HG2 VAL 44 0.237 6.119 2.942 344 H ILE 45 H ILE 45 -2.279 1.761 1.367 345 HA ILE 45 HA ILE 45 -2.109 1.714 -1.566 346 HB ILE 45 HB ILE 45 -3.105 -0.428 0.366 347 HG12 ILE 45 2HG1 ILE 45 -0.516 -0.251 -1.256 348 HG13 ILE 45 3HG1 ILE 45 -0.663 -0.120 0.497 349 HG21 ILE 45 1HG2 ILE 45 -4.305 -0.581 -1.785 350 HG22 ILE 45 2HG2 ILE 45 -3.212 -1.949 -1.597 351 HG23 ILE 45 3HG2 ILE 45 -2.775 -0.610 -2.664 352 HD11 ILE 45 1HD1 ILE 45 -1.467 -2.456 0.566 353 HD12 ILE 45 2HD1 ILE 45 0.157 -2.295 -0.092 354 HD13 ILE 45 3HD1 ILE 45 -1.205 -2.576 -1.177 355 H TRP 46 H TRP 46 -3.788 2.293 -2.781 356 HA TRP 46 HA TRP 46 -6.507 2.635 -1.680 357 HB2 TRP 46 2HB TRP 46 -5.374 3.353 -4.440 358 HB3 TRP 46 3HB TRP 46 -6.963 3.791 -3.832 359 HD1 TRP 46 HD1 TRP 46 -3.226 4.594 -3.183 360 HE1 TRP 46 HE1 TRP 46 -3.078 6.936 -2.147 361 HE3 TRP 46 HE3 TRP 46 -8.230 5.575 -2.662 362 HZ2 TRP 46 HZ2 TRP 46 -4.826 8.941 -1.234 363 HZ3 TRP 46 HZ3 TRP 46 -8.907 7.744 -1.700 364 HH2 TRP 46 HH2 TRP 46 -7.236 9.392 -1.001 365 H THR 47 H THR 47 -7.943 0.950 -2.002 366 HA THR 47 HA THR 47 -7.259 -1.207 -3.892 367 HB THR 47 HB THR 47 -9.223 -2.399 -2.913 368 HG1 THR 47 HG1 THR 47 -9.548 -0.608 -0.849 369 HG21 THR 47 1HG2 THR 47 -8.327 -2.720 -0.642 370 HG22 THR 47 2HG2 THR 47 -7.379 -1.238 -0.784 371 HG23 THR 47 3HG2 THR 47 -7.005 -2.628 -1.807 372 H LYS 48 H LYS 48 -9.125 -2.098 -5.230 373 HA LYS 48 HA LYS 48 -10.080 -0.135 -7.068 374 HB2 LYS 48 2HB LYS 48 -10.696 -3.105 -6.799 375 HB3 LYS 48 3HB LYS 48 -11.252 -2.117 -8.144 376 HG2 LYS 48 2HG LYS 48 -8.351 -2.658 -7.432 377 HG3 LYS 48 3HG LYS 48 -9.263 -3.454 -8.723 378 HD2 LYS 48 2HD LYS 48 -8.651 -0.467 -8.571 379 HD3 LYS 48 3HD LYS 48 -7.770 -1.640 -9.551 380 HE2 LYS 48 2HE LYS 48 -10.702 -0.888 -9.882 381 HE3 LYS 48 3HE LYS 48 -9.368 -0.385 -10.922 382 HZ1 LYS 48 1HZ LYS 48 -8.987 -2.759 -11.419 383 HZ2 LYS 48 2HZ LYS 48 -10.487 -2.194 -11.945 384 HZ3 LYS 48 3HZ LYS 48 -10.386 -3.150 -10.553 385 H MET 49 H MET 49 -11.484 -1.744 -4.319 386 HA MET 49 HA MET 49 -14.196 -0.788 -4.708 387 HB2 MET 49 2HB MET 49 -12.794 -2.005 -2.282 388 HB3 MET 49 3HB MET 49 -14.527 -1.694 -2.386 389 HG2 MET 49 2HG MET 49 -14.757 -3.316 -4.178 390 HG3 MET 49 3HG MET 49 -13.013 -3.560 -4.247 391 HE1 MET 49 1HE MET 49 -12.278 -5.465 -0.938 392 HE2 MET 49 2HE MET 49 -12.193 -3.715 -1.143 393 HE3 MET 49 3HE MET 49 -11.618 -4.787 -2.423 394 H LYS 50 H LYS 50 -11.383 0.751 -4.042 395 HA LYS 50 HA LYS 50 -10.737 2.785 -3.479 396 HB2 LYS 50 2HB LYS 50 -13.677 3.511 -3.256 397 HB3 LYS 50 3HB LYS 50 -12.334 4.641 -3.431 398 HG2 LYS 50 2HG LYS 50 -13.383 2.666 -5.495 399 HG3 LYS 50 3HG LYS 50 -13.454 4.431 -5.561 400 HD2 LYS 50 2HD LYS 50 -10.897 2.751 -5.693 401 HD3 LYS 50 3HD LYS 50 -11.726 3.467 -7.075 402 HE2 LYS 50 2HE LYS 50 -11.300 5.729 -6.129 403 HE3 LYS 50 3HE LYS 50 -10.417 4.986 -4.794 404 HZ1 LYS 50 1HZ LYS 50 -8.952 5.778 -6.534 405 HZ2 LYS 50 2HZ LYS 50 -9.693 4.765 -7.663 406 HZ3 LYS 50 3HZ LYS 50 -8.832 4.100 -6.367 407 H LYS 51 H LYS 51 -11.360 0.704 -1.485 408 HA LYS 51 HA LYS 51 -11.745 2.110 1.020 409 HB2 LYS 51 2HB LYS 51 -12.252 -0.423 0.432 410 HB3 LYS 51 3HB LYS 51 -10.540 -0.679 0.723 411 HG2 LYS 51 2HG LYS 51 -12.474 0.484 2.757 412 HG3 LYS 51 3HG LYS 51 -12.073 -1.230 2.650 413 HD2 LYS 51 2HD LYS 51 -9.701 -0.683 3.164 414 HD3 LYS 51 3HD LYS 51 -10.119 1.026 3.273 415 HE2 LYS 51 2HE LYS 51 -9.965 0.091 5.513 416 HE3 LYS 51 3HE LYS 51 -11.650 0.495 5.172 417 HZ1 LYS 51 1HZ LYS 51 -11.473 -1.653 6.226 418 HZ2 LYS 51 2HZ LYS 51 -10.444 -2.212 5.009 419 HZ3 LYS 51 3HZ LYS 51 -12.054 -1.837 4.654 420 H VAL 52 H VAL 52 -10.169 3.212 1.988 421 HA VAL 52 HA VAL 52 -7.420 3.219 0.991 422 HB VAL 52 HB VAL 52 -8.719 4.900 3.210 423 HG11 VAL 52 1HG1 VAL 52 -6.752 6.390 2.999 424 HG12 VAL 52 2HG1 VAL 52 -6.055 5.320 1.782 425 HG13 VAL 52 3HG1 VAL 52 -6.245 4.758 3.446 426 HG21 VAL 52 1HG2 VAL 52 -9.763 5.375 1.016 427 HG22 VAL 52 2HG2 VAL 52 -8.173 5.647 0.303 428 HG23 VAL 52 3HG2 VAL 52 -8.780 6.741 1.546 429 H ILE 53 H ILE 53 -5.872 2.004 1.918 430 HA ILE 53 HA ILE 53 -5.990 1.294 4.790 431 HB ILE 53 HB ILE 53 -4.957 -0.943 4.290 432 HG12 ILE 53 2HG1 ILE 53 -5.691 -0.385 1.376 433 HG13 ILE 53 3HG1 ILE 53 -4.055 -0.411 2.019 434 HG21 ILE 53 1HG2 ILE 53 -7.704 -0.579 3.052 435 HG22 ILE 53 2HG2 ILE 53 -7.349 -0.796 4.769 436 HG23 ILE 53 3HG2 ILE 53 -7.018 -2.102 3.632 437 HD11 ILE 53 1HD1 ILE 53 -5.941 -2.755 1.826 438 HD12 ILE 53 2HD1 ILE 53 -4.342 -2.801 2.575 439 HD13 ILE 53 3HD1 ILE 53 -4.501 -2.449 0.855 440 H CYS 54 H CYS 54 -3.921 0.984 5.748 441 HA CYS 54 HA CYS 54 -1.564 1.721 4.105 442 HB2 CYS 54 2HB CYS 54 -1.894 2.098 7.105 443 HB3 CYS 54 3HB CYS 54 -0.523 2.606 6.117 444 H VAL 55 H VAL 55 0.318 0.448 4.497 445 HA VAL 55 HA VAL 55 0.067 -1.970 6.168 446 HB VAL 55 HB VAL 55 0.944 -3.445 4.370 447 HG11 VAL 55 1HG1 VAL 55 -1.640 -2.082 3.528 448 HG12 VAL 55 2HG1 VAL 55 -1.498 -3.358 4.739 449 HG13 VAL 55 3HG1 VAL 55 -1.112 -3.697 3.056 450 HG21 VAL 55 1HG2 VAL 55 0.537 -1.085 2.486 451 HG22 VAL 55 2HG2 VAL 55 1.013 -2.720 2.013 452 HG23 VAL 55 3HG2 VAL 55 2.095 -1.733 2.997 453 H ASN 56 H ASN 56 2.187 -3.076 6.408 454 HA ASN 56 HA ASN 56 4.272 -1.180 6.995 455 HB2 ASN 56 2HB ASN 56 4.165 -4.213 7.265 456 HB3 ASN 56 3HB ASN 56 5.514 -3.227 7.828 457 HD21 ASN 56 1HD2 ASN 56 3.827 -4.954 9.394 458 HD22 ASN 56 2HD2 ASN 56 3.074 -3.966 10.591 459 HA PRO 57 HA PRO 57 6.279 -1.318 2.943 460 HB2 PRO 57 2HB PRO 57 8.827 -0.451 3.819 461 HB3 PRO 57 3HB PRO 57 7.474 0.607 3.369 462 HG2 PRO 57 2HG PRO 57 8.335 -0.305 6.098 463 HG3 PRO 57 3HG PRO 57 7.765 1.295 5.568 464 HD2 PRO 57 2HD PRO 57 6.119 -0.345 6.898 465 HD3 PRO 57 3HD PRO 57 5.502 0.641 5.552 466 H ARG 58 H ARG 58 7.644 -2.939 5.748 467 HA ARG 58 HA ARG 58 9.446 -4.615 4.169 468 HB2 ARG 58 2HB ARG 58 8.962 -4.420 7.164 469 HB3 ARG 58 3HB ARG 58 10.123 -5.522 6.420 470 HG2 ARG 58 2HG ARG 58 11.360 -3.609 5.488 471 HG3 ARG 58 3HG ARG 58 10.199 -2.490 6.220 472 HD2 ARG 58 2HD ARG 58 11.939 -4.443 7.771 473 HD3 ARG 58 3HD ARG 58 12.351 -2.750 7.493 474 HE ARG 58 HE ARG 58 10.110 -3.757 9.142 475 HH11 ARG 58 1HH1 ARG 58 12.303 -1.146 8.279 476 HH12 ARG 58 2HH1 ARG 58 11.795 -0.131 9.582 477 HH21 ARG 58 1HH2 ARG 58 9.430 -2.384 10.820 478 HH22 ARG 58 2HH2 ARG 58 10.168 -0.829 11.026 479 H ALA 59 H ALA 59 6.305 -4.828 4.277 480 HA ALA 59 HA ALA 59 5.833 -7.579 5.001 481 HB1 ALA 59 1HB ALA 59 3.671 -7.289 3.760 482 HB2 ALA 59 2HB ALA 59 4.200 -5.677 3.276 483 HB3 ALA 59 3HB ALA 59 3.946 -6.040 4.977 484 H LYS 60 H LYS 60 6.215 -9.351 3.787 485 HA LYS 60 HA LYS 60 8.144 -9.142 1.709 486 HB2 LYS 60 2HB LYS 60 8.094 -10.959 3.434 487 HB3 LYS 60 3HB LYS 60 6.653 -11.623 2.671 488 HG2 LYS 60 2HG LYS 60 8.000 -11.991 0.578 489 HG3 LYS 60 3HG LYS 60 9.432 -11.433 1.444 490 HD2 LYS 60 2HD LYS 60 9.417 -13.859 1.430 491 HD3 LYS 60 3HD LYS 60 9.129 -13.301 3.083 492 HE2 LYS 60 2HE LYS 60 6.693 -13.696 2.768 493 HE3 LYS 60 3HE LYS 60 7.010 -14.273 1.129 494 HZ1 LYS 60 1HZ LYS 60 6.763 -16.104 2.633 495 HZ2 LYS 60 2HZ LYS 60 7.978 -15.503 3.643 496 HZ3 LYS 60 3HZ LYS 60 8.367 -16.043 2.093 497 H TRP 61 H TRP 61 4.691 -10.016 1.722 498 HA TRP 61 HA TRP 61 4.433 -10.772 -0.989 499 HB2 TRP 61 2HB TRP 61 1.985 -10.363 -0.663 500 HB3 TRP 61 3HB TRP 61 2.679 -11.328 0.631 501 HD1 TRP 61 HD1 TRP 61 2.650 -10.283 3.096 502 HE1 TRP 61 HE1 TRP 61 1.484 -8.239 4.124 503 HE3 TRP 61 HE3 TRP 61 1.188 -7.915 -1.199 504 HZ2 TRP 61 HZ2 TRP 61 0.141 -5.918 3.250 505 HZ3 TRP 61 HZ3 TRP 61 -0.022 -5.782 -1.019 506 HH2 TRP 61 HH2 TRP 61 -0.536 -4.808 1.159 507 H LEU 62 H LEU 62 4.441 -7.657 0.627 508 HA LEU 62 HA LEU 62 3.445 -6.060 -1.511 509 HB2 LEU 62 2HB LEU 62 3.362 -5.322 0.837 510 HB3 LEU 62 3HB LEU 62 5.119 -5.316 0.908 511 HG LEU 62 HG LEU 62 5.084 -3.489 -0.889 512 HD11 LEU 62 1HD1 LEU 62 2.130 -3.416 -0.224 513 HD12 LEU 62 2HD1 LEU 62 2.852 -3.831 -1.780 514 HD13 LEU 62 3HD1 LEU 62 2.995 -2.187 -1.156 515 HD21 LEU 62 1HD2 LEU 62 5.547 -2.922 1.410 516 HD22 LEU 62 2HD2 LEU 62 3.825 -2.857 1.788 517 HD23 LEU 62 3HD2 LEU 62 4.537 -1.675 0.687 518 H GLN 63 H GLN 63 6.652 -7.119 -0.491 519 HA GLN 63 HA GLN 63 8.337 -5.483 -1.992 520 HB2 GLN 63 2HB GLN 63 9.099 -7.116 -0.267 521 HB3 GLN 63 3HB GLN 63 8.704 -8.439 -1.357 522 HG2 GLN 63 2HG GLN 63 10.414 -7.505 -2.968 523 HG3 GLN 63 3HG GLN 63 10.882 -6.359 -1.715 524 HE21 GLN 63 1HE2 GLN 63 12.513 -8.382 -2.954 525 HE22 GLN 63 2HE2 GLN 63 13.057 -9.429 -1.697 526 H ARG 64 H ARG 64 6.622 -8.422 -2.909 527 HA ARG 64 HA ARG 64 7.532 -8.756 -5.552 528 HB2 ARG 64 2HB ARG 64 6.317 -10.511 -4.352 529 HB3 ARG 64 3HB ARG 64 4.892 -9.486 -4.218 530 HG2 ARG 64 2HG ARG 64 4.552 -9.603 -6.664 531 HG3 ARG 64 3HG ARG 64 6.017 -10.583 -6.822 532 HD2 ARG 64 2HD ARG 64 3.527 -11.376 -5.259 533 HD3 ARG 64 3HD ARG 64 3.949 -11.953 -6.873 534 HE ARG 64 HE ARG 64 5.996 -12.926 -5.834 535 HH11 ARG 64 1HH1 ARG 64 3.155 -12.403 -3.796 536 HH12 ARG 64 2HH1 ARG 64 3.601 -13.645 -2.674 537 HH21 ARG 64 1HH2 ARG 64 6.527 -14.548 -4.345 538 HH22 ARG 64 2HH2 ARG 64 5.495 -14.851 -2.986 539 H LEU 65 H LEU 65 4.731 -6.980 -4.214 540 HA LEU 65 HA LEU 65 3.611 -6.045 -6.636 541 HB2 LEU 65 2HB LEU 65 3.374 -5.267 -3.744 542 HB3 LEU 65 3HB LEU 65 2.755 -4.144 -4.912 543 HG LEU 65 HG LEU 65 0.985 -5.568 -3.943 544 HD11 LEU 65 1HD1 LEU 65 0.682 -4.608 -6.195 545 HD12 LEU 65 2HD1 LEU 65 -0.189 -6.116 -5.964 546 HD13 LEU 65 3HD1 LEU 65 1.297 -6.103 -6.910 547 HD21 LEU 65 1HD2 LEU 65 0.786 -7.948 -4.516 548 HD22 LEU 65 2HD2 LEU 65 2.228 -7.640 -3.557 549 HD23 LEU 65 3HD2 LEU 65 2.369 -7.911 -5.298 550 H LEU 66 H LEU 66 6.133 -4.749 -4.564 551 HA LEU 66 HA LEU 66 6.384 -2.205 -5.837 552 HB2 LEU 66 2HB LEU 66 8.334 -3.684 -4.039 553 HB3 LEU 66 3HB LEU 66 8.481 -1.995 -4.516 554 HG LEU 66 HG LEU 66 6.266 -3.175 -2.787 555 HD11 LEU 66 1HD1 LEU 66 7.224 -1.894 -0.951 556 HD12 LEU 66 2HD1 LEU 66 8.540 -1.344 -1.994 557 HD13 LEU 66 3HD1 LEU 66 8.385 -3.056 -1.588 558 HD21 LEU 66 1HD2 LEU 66 5.368 -1.332 -4.107 559 HD22 LEU 66 2HD2 LEU 66 6.702 -0.285 -3.615 560 HD23 LEU 66 3HD2 LEU 66 5.526 -0.845 -2.423 561 H ARG 67 H ARG 67 7.934 -5.366 -6.202 562 HA ARG 67 HA ARG 67 9.960 -4.480 -8.049 563 HB2 ARG 67 2HB ARG 67 10.015 -6.569 -6.481 564 HB3 ARG 67 3HB ARG 67 9.016 -7.360 -7.697 565 HG2 ARG 67 2HG ARG 67 10.816 -6.936 -9.386 566 HG3 ARG 67 3HG ARG 67 11.806 -6.226 -8.110 567 HD2 ARG 67 2HD ARG 67 12.561 -8.483 -8.451 568 HD3 ARG 67 3HD ARG 67 11.704 -8.444 -6.909 569 HE ARG 67 HE ARG 67 9.939 -9.176 -9.007 570 HH11 ARG 67 1HH1 ARG 67 12.535 -10.553 -7.087 571 HH12 ARG 67 2HH1 ARG 67 11.981 -12.180 -7.293 572 HH21 ARG 67 1HH2 ARG 67 9.245 -11.319 -9.269 573 HH22 ARG 67 2HH2 ARG 67 10.125 -12.612 -8.522 574 H HIS 68 H HIS 68 6.633 -5.493 -8.288 575 HA HIS 68 HA HIS 68 6.469 -6.145 -11.056 576 HB2 HIS 68 2HB HIS 68 4.473 -5.462 -8.899 577 HB3 HIS 68 3HB HIS 68 3.921 -5.297 -10.555 578 HD1 HIS 68 HD1 HIS 68 2.630 -7.261 -11.196 579 HD2 HIS 68 HD2 HIS 68 5.780 -8.282 -8.701 580 HE1 HIS 68 HE1 HIS 68 2.491 -9.751 -10.923 581 HE2 HIS 68 HE2 HIS 68 4.533 -10.359 -9.566 582 H VAL 69 H VAL 69 6.088 -3.130 -9.256 583 HA VAL 69 HA VAL 69 5.431 -1.610 -11.687 584 HB VAL 69 HB VAL 69 4.923 0.286 -10.236 585 HG11 VAL 69 1HG1 VAL 69 3.688 -2.271 -9.135 586 HG12 VAL 69 2HG1 VAL 69 3.137 -1.373 -10.551 587 HG13 VAL 69 3HG1 VAL 69 3.026 -0.643 -8.949 588 HG21 VAL 69 1HG2 VAL 69 6.694 0.005 -8.526 589 HG22 VAL 69 2HG2 VAL 69 5.852 -1.399 -7.874 590 HG23 VAL 69 3HG2 VAL 69 5.109 0.193 -7.778 591 H GLN 70 H GLN 70 8.219 -2.468 -10.050 592 HA GLN 70 HA GLN 70 9.795 -0.084 -10.492 593 HB2 GLN 70 2HB GLN 70 10.163 -1.799 -8.634 594 HB3 GLN 70 3HB GLN 70 10.745 -2.920 -9.859 595 HG2 GLN 70 2HG GLN 70 12.613 -1.415 -10.367 596 HG3 GLN 70 3HG GLN 70 11.993 -0.225 -9.228 597 HE21 GLN 70 1HE2 GLN 70 12.107 -3.716 -8.635 598 HE22 GLN 70 2HE2 GLN 70 13.299 -3.642 -7.388 599 H SER 71 H SER 71 11.831 -0.271 -11.890 600 HA SER 71 HA SER 71 11.232 -0.908 -14.586 601 HB2 SER 71 2HB SER 71 12.800 0.920 -13.876 602 HB3 SER 71 3HB SER 71 13.964 -0.298 -13.349 603 HG SER 71 HG SER 71 14.055 0.690 -15.605 604 H LYS 72 H LYS 72 12.968 -2.245 -15.915 605 HA LYS 72 HA LYS 72 13.289 -4.344 -16.710 606 HB2 LYS 72 2HB LYS 72 14.406 -4.672 -13.900 607 HB3 LYS 72 3HB LYS 72 14.517 -5.955 -15.103 608 HG2 LYS 72 2HG LYS 72 15.808 -4.459 -16.582 609 HG3 LYS 72 3HG LYS 72 15.696 -3.170 -15.378 610 HD2 LYS 72 2HD LYS 72 17.000 -4.508 -13.786 611 HD3 LYS 72 3HD LYS 72 17.059 -5.861 -14.922 612 HE2 LYS 72 2HE LYS 72 19.172 -4.524 -14.882 613 HE3 LYS 72 3HE LYS 72 18.414 -4.558 -16.473 614 HZ1 LYS 72 1HZ LYS 72 17.569 -2.359 -16.126 615 HZ2 LYS 72 2HZ LYS 72 19.229 -2.350 -15.811 616 HZ3 LYS 72 3HZ LYS 72 18.132 -2.334 -14.530 617 H SER 73 H SER 73 10.732 -3.805 -15.908 618 HA SER 73 HA SER 73 9.562 -6.437 -15.525 619 HB2 SER 73 2HB SER 73 9.947 -5.553 -13.178 620 HB3 SER 73 3HB SER 73 8.954 -4.151 -13.570 621 HG SER 73 HG SER 73 7.543 -5.470 -12.677 622 H LEU 74 H LEU 74 6.911 -5.473 -15.117 623 HA LEU 74 HA LEU 74 6.098 -4.571 -17.683 624 HB2 LEU 74 2HB LEU 74 4.669 -4.988 -15.037 625 HB3 LEU 74 3HB LEU 74 3.826 -4.191 -16.347 626 HG LEU 74 HG LEU 74 3.275 -6.617 -16.154 627 HD11 LEU 74 1HD1 LEU 74 3.424 -7.176 -18.518 628 HD12 LEU 74 2HD1 LEU 74 4.634 -5.919 -18.770 629 HD13 LEU 74 3HD1 LEU 74 2.989 -5.481 -18.303 630 HD21 LEU 74 1HD2 LEU 74 5.443 -7.499 -15.414 631 HD22 LEU 74 2HD2 LEU 74 6.151 -7.136 -16.989 632 HD23 LEU 74 3HD2 LEU 74 4.873 -8.348 -16.850 633 H SER 75 H SER 75 7.126 -2.673 -18.162 634 HA SER 75 HA SER 75 6.582 -0.270 -16.548 635 HB2 SER 75 2HB SER 75 8.373 0.756 -18.053 636 HB3 SER 75 3HB SER 75 8.934 -0.547 -17.009 637 HG SER 75 HG SER 75 8.829 -1.948 -18.800 638 H SER 76 H SER 76 5.182 1.266 -17.294 639 HA SER 76 HA SER 76 3.568 0.679 -19.625 640 HB2 SER 76 2HB SER 76 2.295 2.754 -18.832 641 HB3 SER 76 3HB SER 76 2.391 1.432 -17.661 642 HG SER 76 HG SER 76 2.909 3.654 -16.912 643 H THR 77 H THR 77 4.986 3.841 -18.652 644 HA THR 77 HA THR 77 5.180 4.629 -21.460 645 HB THR 77 HB THR 77 5.703 6.902 -20.470 646 HG1 THR 77 HG1 THR 77 6.560 6.267 -18.473 647 HG21 THR 77 1HG2 THR 77 3.374 6.308 -21.072 648 HG22 THR 77 2HG2 THR 77 3.406 7.333 -19.636 649 HG23 THR 77 3HG2 THR 77 3.125 5.596 -19.478 650 HA PRO 78 HA PRO 78 9.747 3.800 -21.453 651 HB2 PRO 78 2HB PRO 78 9.423 5.242 -24.086 652 HB3 PRO 78 3HB PRO 78 10.261 3.715 -23.733 653 HG2 PRO 78 2HG PRO 78 7.927 3.677 -24.979 654 HG3 PRO 78 3HG PRO 78 8.301 2.466 -23.730 655 HD2 PRO 78 2HD PRO 78 6.568 4.925 -23.505 656 HD3 PRO 78 3HD PRO 78 6.290 3.289 -22.864 657 H GLN 79 H GLN 79 10.247 5.236 -19.825 658 HA GLN 79 HA GLN 79 10.819 8.060 -20.544 659 HB2 GLN 79 2HB GLN 79 8.887 7.753 -18.913 660 HB3 GLN 79 3HB GLN 79 10.012 6.996 -17.790 661 HG2 GLN 79 2HG GLN 79 11.305 9.124 -17.717 662 HG3 GLN 79 3HG GLN 79 10.117 9.857 -18.794 663 HE21 GLN 79 1HE2 GLN 79 10.874 10.676 -16.115 664 HE22 GLN 79 2HE2 GLN 79 9.437 10.630 -15.162 665 H ALA 80 H ALA 80 12.699 8.940 -19.308 666 HA ALA 80 HA ALA 80 14.818 6.947 -18.847 667 HB1 ALA 80 1HB ALA 80 14.971 9.959 -19.213 668 HB2 ALA 80 2HB ALA 80 15.304 8.744 -20.448 669 HB3 ALA 80 3HB ALA 80 16.356 8.879 -19.038 670 HA PRO 81 HA PRO 81 14.104 8.128 -14.436 671 HB2 PRO 81 2HB PRO 81 14.356 5.661 -13.320 672 HB3 PRO 81 3HB PRO 81 12.866 6.160 -14.151 673 HG2 PRO 81 2HG PRO 81 15.010 4.306 -15.084 674 HG3 PRO 81 3HG PRO 81 13.266 4.299 -15.437 675 HD2 PRO 81 2HD PRO 81 15.339 5.349 -17.103 676 HD3 PRO 81 3HD PRO 81 13.595 5.528 -17.350 677 H VAL 82 H VAL 82 15.645 8.674 -12.973 678 HA VAL 82 HA VAL 82 18.462 7.908 -13.457 679 HB VAL 82 HB VAL 82 19.172 9.764 -12.040 680 HG11 VAL 82 1HG1 VAL 82 17.136 10.691 -14.093 681 HG12 VAL 82 2HG1 VAL 82 18.816 10.251 -14.405 682 HG13 VAL 82 3HG1 VAL 82 18.447 11.670 -13.426 683 HG21 VAL 82 1HG2 VAL 82 17.233 9.769 -10.412 684 HG22 VAL 82 2HG2 VAL 82 16.262 10.612 -11.624 685 HG23 VAL 82 3HG2 VAL 82 17.711 11.368 -10.972 686 H SER 83 H SER 83 15.877 7.368 -11.282 687 HA SER 83 HA SER 83 17.282 6.610 -8.925 688 HB2 SER 83 2HB SER 83 14.522 5.729 -9.903 689 HB3 SER 83 3HB SER 83 15.142 5.525 -8.262 690 HG SER 83 HG SER 83 14.106 7.368 -8.074 691 H LYS 84 H LYS 84 18.643 4.969 -8.761 692 HA LYS 84 HA LYS 84 18.953 2.889 -10.669 693 HB2 LYS 84 2HB LYS 84 20.106 3.174 -7.855 694 HB3 LYS 84 3HB LYS 84 20.631 1.982 -9.043 695 HG2 LYS 84 2HG LYS 84 20.862 5.004 -9.405 696 HG3 LYS 84 3HG LYS 84 22.156 3.952 -8.835 697 HD2 LYS 84 2HD LYS 84 22.706 4.146 -11.093 698 HD3 LYS 84 3HD LYS 84 21.770 2.657 -11.095 699 HE2 LYS 84 2HE LYS 84 19.755 4.066 -11.801 700 HE3 LYS 84 3HE LYS 84 20.873 5.413 -12.005 701 HZ1 LYS 84 1HZ LYS 84 21.056 2.807 -13.405 702 HZ2 LYS 84 2HZ LYS 84 22.042 4.156 -13.657 703 HZ3 LYS 84 3HZ LYS 84 20.406 4.226 -14.056 704 H ARG 85 H ARG 85 18.213 0.850 -10.719 705 HA ARG 85 HA ARG 85 15.861 0.178 -9.279 706 HB2 ARG 85 2HB ARG 85 16.257 -0.628 -11.586 707 HB3 ARG 85 3HB ARG 85 17.628 -1.589 -11.033 708 HG2 ARG 85 2HG ARG 85 16.101 -2.950 -9.629 709 HG3 ARG 85 3HG ARG 85 14.730 -1.997 -10.199 710 HD2 ARG 85 2HD ARG 85 15.220 -2.776 -12.520 711 HD3 ARG 85 3HD ARG 85 16.512 -3.794 -11.874 712 HE ARG 85 HE ARG 85 13.619 -4.160 -11.515 713 HH11 ARG 85 1HH1 ARG 85 16.847 -5.415 -10.959 714 HH12 ARG 85 2HH1 ARG 85 16.288 -6.991 -10.510 715 HH21 ARG 85 1HH2 ARG 85 12.908 -6.243 -10.951 716 HH22 ARG 85 2HH2 ARG 85 14.062 -7.458 -10.508 717 H ARG 86 H ARG 86 15.976 -0.241 -7.158 718 HA ARG 86 HA ARG 86 18.099 -1.496 -5.760 719 HB2 ARG 86 2HB ARG 86 16.525 -0.087 -4.555 720 HB3 ARG 86 3HB ARG 86 15.156 -1.071 -5.064 721 HG2 ARG 86 2HG ARG 86 15.893 -2.927 -3.663 722 HG3 ARG 86 3HG ARG 86 17.370 -2.064 -3.226 723 HD2 ARG 86 2HD ARG 86 15.583 -2.021 -1.458 724 HD3 ARG 86 3HD ARG 86 16.117 -0.419 -1.978 725 HE ARG 86 HE ARG 86 13.827 -1.303 -3.458 726 HH11 ARG 86 1HH1 ARG 86 14.731 0.096 -0.363 727 HH12 ARG 86 2HH1 ARG 86 13.189 0.835 -0.119 728 HH21 ARG 86 1HH2 ARG 86 11.822 -0.287 -3.125 729 HH22 ARG 86 2HH2 ARG 86 11.547 0.620 -1.675 730 H ALA 87 H ALA 87 18.727 -3.483 -6.421 731 HA ALA 87 HA ALA 87 16.877 -5.562 -7.267 732 HB1 ALA 87 1HB ALA 87 19.030 -5.255 -8.468 733 HB2 ALA 87 2HB ALA 87 18.942 -6.859 -7.739 734 HB3 ALA 87 3HB ALA 87 19.919 -5.598 -6.981 735 H ALA 88 H ALA 88 15.806 -5.468 -5.120 736 HA ALA 88 HA ALA 88 17.167 -6.525 -2.775 737 HB1 ALA 88 1HB ALA 88 15.521 -4.710 -2.508 738 HB2 ALA 88 2HB ALA 88 14.973 -6.161 -1.662 739 HB3 ALA 88 3HB ALA 88 14.261 -5.723 -3.217 Start of MODEL 5 1 H1 ILE 1 1H ILE 1 -18.350 32.221 9.564 2 H2 ILE 1 2H ILE 1 -17.951 31.121 10.780 3 H3 ILE 1 3H ILE 1 -19.110 30.716 9.627 4 HA ILE 1 HA ILE 1 -17.502 30.708 7.894 5 HB ILE 1 HB ILE 1 -15.462 31.359 10.076 6 HG12 ILE 1 2HG1 ILE 1 -16.389 33.065 7.717 7 HG13 ILE 1 3HG1 ILE 1 -16.808 33.346 9.400 8 HG21 ILE 1 1HG2 ILE 1 -15.011 30.934 7.090 9 HG22 ILE 1 2HG2 ILE 1 -14.531 29.819 8.371 10 HG23 ILE 1 3HG2 ILE 1 -13.778 31.409 8.259 11 HD11 ILE 1 1HD1 ILE 1 -15.111 34.881 8.695 12 HD12 ILE 1 2HD1 ILE 1 -14.058 33.566 8.178 13 HD13 ILE 1 3HD1 ILE 1 -14.431 33.781 9.892 14 H LEU 2 H LEU 2 -18.369 28.620 7.962 15 HA LEU 2 HA LEU 2 -17.169 26.630 9.769 16 HB2 LEU 2 2HB LEU 2 -19.673 26.771 9.296 17 HB3 LEU 2 3HB LEU 2 -19.344 26.243 7.658 18 HG LEU 2 HG LEU 2 -20.200 24.447 9.256 19 HD11 LEU 2 1HD1 LEU 2 -18.754 22.636 8.481 20 HD12 LEU 2 2HD1 LEU 2 -17.518 23.799 7.990 21 HD13 LEU 2 3HD1 LEU 2 -19.082 23.775 7.176 22 HD21 LEU 2 1HD2 LEU 2 -18.672 23.448 10.879 23 HD22 LEU 2 2HD2 LEU 2 -18.929 25.150 11.251 24 HD23 LEU 2 3HD2 LEU 2 -17.426 24.636 10.481 25 H GLU 3 H GLU 3 -15.167 26.077 9.083 26 HA GLU 3 HA GLU 3 -14.521 25.681 6.264 27 HB2 GLU 3 2HB GLU 3 -12.832 25.336 8.786 28 HB3 GLU 3 3HB GLU 3 -12.223 25.209 7.139 29 HG2 GLU 3 2HG GLU 3 -13.425 27.695 8.388 30 HG3 GLU 3 3HG GLU 3 -11.704 27.393 8.163 31 H ALA 4 H ALA 4 -15.562 23.910 5.536 32 HA ALA 4 HA ALA 4 -15.879 21.433 6.967 33 HB1 ALA 4 1HB ALA 4 -17.581 22.248 5.386 34 HB2 ALA 4 2HB ALA 4 -16.981 20.669 4.885 35 HB3 ALA 4 3HB ALA 4 -16.427 22.124 4.053 36 H HIS 5 H HIS 5 -13.106 22.570 5.914 37 HA HIS 5 HA HIS 5 -12.008 20.017 4.949 38 HB2 HIS 5 2HB HIS 5 -10.456 21.353 3.474 39 HB3 HIS 5 3HB HIS 5 -12.147 21.490 3.008 40 HD1 HIS 5 HD1 HIS 5 -9.243 23.512 4.123 41 HD2 HIS 5 HD2 HIS 5 -13.318 24.088 3.525 42 HE1 HIS 5 HE1 HIS 5 -9.594 25.995 4.176 43 HE2 HIS 5 HE2 HIS 5 -12.081 26.299 4.014 44 H TYR 6 H TYR 6 -10.793 19.330 6.649 45 HA TYR 6 HA TYR 6 -9.249 21.183 8.290 46 HB2 TYR 6 2HB TYR 6 -10.262 19.159 9.346 47 HB3 TYR 6 3HB TYR 6 -9.278 18.125 8.313 48 HD1 TYR 6 HD1 TYR 6 -7.120 17.415 9.111 49 HD2 TYR 6 HD2 TYR 6 -8.959 20.842 10.901 50 HE1 TYR 6 HE1 TYR 6 -5.294 17.539 10.760 51 HE2 TYR 6 HE2 TYR 6 -7.138 20.954 12.546 52 HH TYR 6 HH TYR 6 -4.245 19.291 12.194 53 H THR 7 H THR 7 -7.615 22.098 7.182 54 HA THR 7 HA THR 7 -6.070 20.828 5.141 55 HB THR 7 HB THR 7 -5.497 23.416 6.663 56 HG1 THR 7 HG1 THR 7 -6.568 24.304 4.691 57 HG21 THR 7 1HG2 THR 7 -4.556 22.497 3.910 58 HG22 THR 7 2HG2 THR 7 -3.543 22.670 5.343 59 HG23 THR 7 3HG2 THR 7 -4.273 24.097 4.606 60 H ASN 8 H ASN 8 -5.147 19.005 5.959 61 HA ASN 8 HA ASN 8 -3.705 18.946 8.501 62 HB2 ASN 8 2HB ASN 8 -3.640 16.471 8.116 63 HB3 ASN 8 3HB ASN 8 -5.271 17.123 8.083 64 HD21 ASN 8 1HD2 ASN 8 -6.385 17.233 6.071 65 HD22 ASN 8 2HD2 ASN 8 -5.892 16.275 4.718 66 H LEU 9 H LEU 9 -1.562 18.847 8.708 67 HA LEU 9 HA LEU 9 0.244 18.764 6.420 68 HB2 LEU 9 2HB LEU 9 0.799 20.251 8.255 69 HB3 LEU 9 3HB LEU 9 0.691 18.944 9.420 70 HG LEU 9 HG LEU 9 2.751 17.910 8.473 71 HD11 LEU 9 1HD1 LEU 9 4.140 19.088 6.831 72 HD12 LEU 9 2HD1 LEU 9 2.881 20.305 6.621 73 HD13 LEU 9 3HD1 LEU 9 2.579 18.633 6.148 74 HD21 LEU 9 1HD2 LEU 9 4.365 19.578 9.288 75 HD22 LEU 9 2HD2 LEU 9 2.964 19.472 10.352 76 HD23 LEU 9 3HD2 LEU 9 3.119 20.828 9.230 77 H LYS 10 H LYS 10 -0.994 16.654 8.918 78 HA LYS 10 HA LYS 10 0.947 14.596 8.806 79 HB2 LYS 10 2HB LYS 10 -0.671 13.227 10.035 80 HB3 LYS 10 3HB LYS 10 -0.560 14.835 10.731 81 HG2 LYS 10 2HG LYS 10 -2.714 15.460 10.014 82 HG3 LYS 10 3HG LYS 10 -2.769 14.237 8.743 83 HD2 LYS 10 2HD LYS 10 -2.882 13.646 11.734 84 HD3 LYS 10 3HD LYS 10 -4.280 13.703 10.654 85 HE2 LYS 10 2HE LYS 10 -3.366 11.825 9.343 86 HE3 LYS 10 3HE LYS 10 -1.937 11.780 10.382 87 HZ1 LYS 10 1HZ LYS 10 -3.330 11.190 12.244 88 HZ2 LYS 10 2HZ LYS 10 -3.581 10.104 10.979 89 HZ3 LYS 10 3HZ LYS 10 -4.721 11.306 11.291 90 H CYS 11 H CYS 11 0.789 12.490 7.898 91 HA CYS 11 HA CYS 11 -0.471 12.287 5.295 92 HB2 CYS 11 2HB CYS 11 0.959 10.123 6.899 93 HB3 CYS 11 3HB CYS 11 0.678 10.145 5.158 94 H ARG 12 H ARG 12 -2.618 11.726 5.107 95 HA ARG 12 HA ARG 12 -4.037 10.629 7.399 96 HB2 ARG 12 2HB ARG 12 -5.078 12.474 6.126 97 HB3 ARG 12 3HB ARG 12 -5.119 11.479 4.671 98 HG2 ARG 12 2HG ARG 12 -6.662 9.901 5.778 99 HG3 ARG 12 3HG ARG 12 -6.583 10.850 7.259 100 HD2 ARG 12 2HD ARG 12 -7.635 12.764 6.041 101 HD3 ARG 12 3HD ARG 12 -7.788 11.729 4.613 102 HE ARG 12 HE ARG 12 -8.986 10.839 7.151 103 HH11 ARG 12 1HH1 ARG 12 -9.552 12.013 3.885 104 HH12 ARG 12 2HH1 ARG 12 -11.228 11.582 3.899 105 HH21 ARG 12 1HH2 ARG 12 -11.161 10.239 7.129 106 HH22 ARG 12 2HH2 ARG 12 -12.137 10.575 5.734 107 H CYS 13 H CYS 13 -4.414 8.559 7.696 108 HA CYS 13 HA CYS 13 -4.934 6.724 5.469 109 HB2 CYS 13 2HB CYS 13 -2.835 6.332 7.623 110 HB3 CYS 13 3HB CYS 13 -3.557 4.958 6.787 111 H SER 14 H SER 14 -6.320 5.054 5.975 112 HA SER 14 HA SER 14 -7.923 5.218 8.404 113 HB2 SER 14 2HB SER 14 -8.025 3.212 6.098 114 HB3 SER 14 3HB SER 14 -9.269 3.465 7.323 115 HG SER 14 HG SER 14 -8.765 5.815 6.230 116 H GLY 15 H GLY 15 -8.366 2.319 8.666 117 HA2 GLY 15 2HA GLY 15 -6.350 1.464 10.432 118 HA3 GLY 15 3HA GLY 15 -7.572 0.444 9.684 119 H VAL 16 H VAL 16 -4.900 -0.316 10.223 120 HA VAL 16 HA VAL 16 -3.619 -0.584 7.571 121 HB VAL 16 HB VAL 16 -1.588 -1.268 8.719 122 HG11 VAL 16 1HG1 VAL 16 -2.741 1.169 10.131 123 HG12 VAL 16 2HG1 VAL 16 -1.920 1.152 8.569 124 HG13 VAL 16 3HG1 VAL 16 -1.025 0.751 10.035 125 HG21 VAL 16 1HG2 VAL 16 -2.540 -2.627 10.556 126 HG22 VAL 16 2HG2 VAL 16 -3.075 -1.165 11.384 127 HG23 VAL 16 3HG2 VAL 16 -1.352 -1.478 11.170 128 H ILE 17 H ILE 17 -3.172 -2.647 6.754 129 HA ILE 17 HA ILE 17 -5.050 -4.719 7.564 130 HB ILE 17 HB ILE 17 -4.315 -5.980 5.551 131 HG12 ILE 17 2HG1 ILE 17 -2.855 -4.430 3.853 132 HG13 ILE 17 3HG1 ILE 17 -2.154 -3.860 5.350 133 HG21 ILE 17 1HG2 ILE 17 -5.015 -3.078 4.989 134 HG22 ILE 17 2HG2 ILE 17 -6.150 -4.372 5.386 135 HG23 ILE 17 3HG2 ILE 17 -5.241 -4.428 3.875 136 HD11 ILE 17 1HD1 ILE 17 -2.164 -6.690 4.334 137 HD12 ILE 17 2HD1 ILE 17 -1.509 -6.184 5.894 138 HD13 ILE 17 3HD1 ILE 17 -0.795 -5.581 4.397 139 H SER 18 H SER 18 -4.604 -6.695 8.315 140 HA SER 18 HA SER 18 -1.827 -7.537 8.893 141 HB2 SER 18 2HB SER 18 -3.036 -6.762 10.982 142 HB3 SER 18 3HB SER 18 -4.263 -7.994 10.695 143 HG SER 18 HG SER 18 -2.926 -9.493 11.379 144 H THR 19 H THR 19 -3.477 -7.995 6.602 145 HA THR 19 HA THR 19 -3.750 -10.924 6.577 146 HB THR 19 HB THR 19 -5.892 -9.028 5.456 147 HG1 THR 19 HG1 THR 19 -6.517 -9.001 7.475 148 HG21 THR 19 1HG2 THR 19 -5.702 -11.182 4.221 149 HG22 THR 19 2HG2 THR 19 -7.229 -11.051 5.093 150 HG23 THR 19 3HG2 THR 19 -5.932 -12.059 5.741 151 H VAL 20 H VAL 20 -3.115 -11.767 4.557 152 HA VAL 20 HA VAL 20 -1.622 -10.171 2.753 153 HB VAL 20 HB VAL 20 -1.492 -12.104 1.214 154 HG11 VAL 20 1HG1 VAL 20 -1.045 -12.969 4.094 155 HG12 VAL 20 2HG1 VAL 20 0.061 -11.998 3.123 156 HG13 VAL 20 3HG1 VAL 20 -0.285 -13.664 2.661 157 HG21 VAL 20 1HG2 VAL 20 -3.784 -13.028 1.455 158 HG22 VAL 20 2HG2 VAL 20 -3.380 -13.627 3.061 159 HG23 VAL 20 3HG2 VAL 20 -2.551 -14.270 1.652 160 H VAL 21 H VAL 21 -2.381 -8.722 1.362 161 HA VAL 21 HA VAL 21 -5.215 -8.695 0.599 162 HB VAL 21 HB VAL 21 -3.072 -6.569 0.127 163 HG11 VAL 21 1HG1 VAL 21 -4.986 -6.369 -1.425 164 HG12 VAL 21 2HG1 VAL 21 -4.951 -5.033 -0.276 165 HG13 VAL 21 3HG1 VAL 21 -6.097 -6.353 -0.051 166 HG21 VAL 21 1HG2 VAL 21 -3.399 -6.952 2.529 167 HG22 VAL 21 2HG2 VAL 21 -5.143 -6.745 2.346 168 HG23 VAL 21 3HG2 VAL 21 -4.055 -5.385 2.058 169 H GLY 22 H GLY 22 -5.935 -8.848 -1.492 170 HA2 GLY 22 2HA GLY 22 -4.269 -10.255 -3.370 171 HA3 GLY 22 3HA GLY 22 -5.967 -9.859 -3.549 172 H LEU 23 H LEU 23 -3.248 -9.488 -5.068 173 HA LEU 23 HA LEU 23 -2.785 -6.832 -5.729 174 HB2 LEU 23 2HB LEU 23 -1.468 -8.918 -6.334 175 HB3 LEU 23 3HB LEU 23 -2.620 -9.226 -7.613 176 HG LEU 23 HG LEU 23 -0.978 -6.663 -7.557 177 HD11 LEU 23 1HD1 LEU 23 -0.132 -9.295 -8.816 178 HD12 LEU 23 2HD1 LEU 23 0.619 -8.516 -7.419 179 HD13 LEU 23 3HD1 LEU 23 0.694 -7.743 -8.999 180 HD21 LEU 23 1HD2 LEU 23 -2.260 -8.148 -9.874 181 HD22 LEU 23 2HD2 LEU 23 -1.295 -6.676 -10.003 182 HD23 LEU 23 3HD2 LEU 23 -2.836 -6.647 -9.151 183 H ASN 24 H ASN 24 -5.317 -8.991 -6.736 184 HA ASN 24 HA ASN 24 -6.341 -7.797 -9.027 185 HB2 ASN 24 2HB ASN 24 -6.943 -10.070 -8.327 186 HB3 ASN 24 3HB ASN 24 -7.735 -9.456 -6.877 187 HD21 ASN 24 1HD2 ASN 24 -9.812 -8.600 -7.056 188 HD22 ASN 24 2HD2 ASN 24 -10.756 -8.713 -8.499 189 H ILE 25 H ILE 25 -6.877 -6.968 -5.617 190 HA ILE 25 HA ILE 25 -9.023 -5.082 -6.392 191 HB ILE 25 HB ILE 25 -9.634 -4.865 -4.055 192 HG12 ILE 25 2HG1 ILE 25 -7.397 -6.828 -3.346 193 HG13 ILE 25 3HG1 ILE 25 -7.327 -5.096 -3.060 194 HG21 ILE 25 1HG2 ILE 25 -9.308 -7.791 -4.808 195 HG22 ILE 25 2HG2 ILE 25 -10.617 -6.727 -5.328 196 HG23 ILE 25 3HG2 ILE 25 -10.449 -7.151 -3.622 197 HD11 ILE 25 1HD1 ILE 25 -9.326 -6.983 -1.814 198 HD12 ILE 25 2HD1 ILE 25 -9.171 -5.253 -1.494 199 HD13 ILE 25 3HD1 ILE 25 -7.872 -6.352 -1.047 200 H ILE 26 H ILE 26 -5.702 -5.030 -5.936 201 HA ILE 26 HA ILE 26 -5.453 -2.399 -4.762 202 HB ILE 26 HB ILE 26 -3.409 -3.949 -6.442 203 HG12 ILE 26 2HG1 ILE 26 -4.044 -5.262 -4.427 204 HG13 ILE 26 3HG1 ILE 26 -2.383 -4.704 -4.325 205 HG21 ILE 26 1HG2 ILE 26 -2.870 -1.551 -6.317 206 HG22 ILE 26 2HG2 ILE 26 -1.703 -2.490 -5.391 207 HG23 ILE 26 3HG2 ILE 26 -2.970 -1.591 -4.553 208 HD11 ILE 26 1HD1 ILE 26 -3.201 -2.863 -2.822 209 HD12 ILE 26 2HD1 ILE 26 -3.346 -4.498 -2.189 210 HD13 ILE 26 3HD1 ILE 26 -4.770 -3.675 -2.816 211 H ASP 27 H ASP 27 -5.661 -0.477 -5.795 212 HA ASP 27 HA ASP 27 -5.808 -0.372 -8.758 213 HB2 ASP 27 2HB ASP 27 -7.777 0.520 -7.496 214 HB3 ASP 27 3HB ASP 27 -6.728 1.672 -6.681 215 H ARG 28 H ARG 28 -4.495 1.419 -5.944 216 HA ARG 28 HA ARG 28 -2.183 2.280 -7.548 217 HB2 ARG 28 2HB ARG 28 -4.303 4.021 -7.185 218 HB3 ARG 28 3HB ARG 28 -3.350 4.404 -5.761 219 HG2 ARG 28 2HG ARG 28 -2.811 5.916 -7.588 220 HG3 ARG 28 3HG ARG 28 -1.401 4.928 -7.187 221 HD2 ARG 28 2HD ARG 28 -1.876 5.250 -9.668 222 HD3 ARG 28 3HD ARG 28 -1.687 3.574 -9.146 223 HE ARG 28 HE ARG 28 -4.382 3.991 -9.004 224 HH11 ARG 28 1HH1 ARG 28 -2.080 4.382 -11.634 225 HH12 ARG 28 2HH1 ARG 28 -3.258 4.028 -12.855 226 HH21 ARG 28 1HH2 ARG 28 -5.859 3.450 -10.595 227 HH22 ARG 28 2HH2 ARG 28 -5.391 3.503 -12.265 228 H ILE 29 H ILE 29 -0.321 2.402 -6.421 229 HA ILE 29 HA ILE 29 -0.343 2.142 -3.463 230 HB ILE 29 HB ILE 29 1.684 1.081 -5.508 231 HG12 ILE 29 2HG1 ILE 29 -0.055 -0.432 -3.504 232 HG13 ILE 29 3HG1 ILE 29 -0.395 -0.298 -5.223 233 HG21 ILE 29 1HG2 ILE 29 3.013 0.226 -3.643 234 HG22 ILE 29 2HG2 ILE 29 1.886 0.919 -2.477 235 HG23 ILE 29 3HG2 ILE 29 2.855 1.978 -3.503 236 HD11 ILE 29 1HD1 ILE 29 0.557 -2.445 -4.658 237 HD12 ILE 29 2HD1 ILE 29 2.001 -1.674 -4.011 238 HD13 ILE 29 3HD1 ILE 29 1.627 -1.552 -5.732 239 H GLN 30 H GLN 30 0.010 4.178 -2.774 240 HA GLN 30 HA GLN 30 2.006 5.924 -4.095 241 HB2 GLN 30 2HB GLN 30 -0.255 6.908 -3.887 242 HB3 GLN 30 3HB GLN 30 -0.277 6.566 -2.162 243 HG2 GLN 30 2HG GLN 30 0.131 8.933 -2.537 244 HG3 GLN 30 3HG GLN 30 1.550 8.190 -1.810 245 HE21 GLN 30 1HE2 GLN 30 0.263 9.730 -4.666 246 HE22 GLN 30 2HE2 GLN 30 1.772 9.921 -5.485 247 H VAL 31 H VAL 31 3.764 6.618 -2.912 248 HA VAL 31 HA VAL 31 4.170 5.419 -0.217 249 HB VAL 31 HB VAL 31 6.260 5.962 -2.397 250 HG11 VAL 31 1HG1 VAL 31 6.625 4.681 0.334 251 HG12 VAL 31 2HG1 VAL 31 7.220 6.269 -0.157 252 HG13 VAL 31 3HG1 VAL 31 7.864 4.811 -0.914 253 HG21 VAL 31 1HG2 VAL 31 5.164 3.304 -1.383 254 HG22 VAL 31 2HG2 VAL 31 6.484 3.493 -2.542 255 HG23 VAL 31 3HG2 VAL 31 4.856 4.022 -2.968 256 H THR 32 H THR 32 3.974 7.030 1.242 257 HA THR 32 HA THR 32 4.638 9.795 0.591 258 HB THR 32 HB THR 32 3.589 8.734 3.258 259 HG1 THR 32 HG1 THR 32 1.816 8.327 2.207 260 HG21 THR 32 1HG2 THR 32 4.446 11.052 3.343 261 HG22 THR 32 2HG2 THR 32 2.688 11.031 3.504 262 HG23 THR 32 3HG2 THR 32 3.427 11.494 1.970 263 HA PRO 33 HA PRO 33 8.856 9.147 2.139 264 HB2 PRO 33 2HB PRO 33 8.899 12.165 2.222 265 HB3 PRO 33 3HB PRO 33 10.004 11.041 1.397 266 HG2 PRO 33 2HG PRO 33 8.240 12.431 -0.014 267 HG3 PRO 33 3HG PRO 33 8.556 10.727 -0.420 268 HD2 PRO 33 2HD PRO 33 6.238 11.905 1.119 269 HD3 PRO 33 3HD PRO 33 6.232 10.658 -0.155 270 HA PRO 34 HA PRO 34 8.426 9.554 6.570 271 HB2 PRO 34 2HB PRO 34 11.008 9.124 7.396 272 HB3 PRO 34 3HB PRO 34 9.996 7.841 6.707 273 HG2 PRO 34 2HG PRO 34 12.167 9.426 5.397 274 HG3 PRO 34 3HG PRO 34 11.785 7.697 5.244 275 HD2 PRO 34 2HD PRO 34 11.037 9.593 3.384 276 HD3 PRO 34 3HD PRO 34 10.173 8.061 3.635 277 H GLY 35 H GLY 35 7.812 11.621 6.983 278 HA2 GLY 35 2HA GLY 35 8.745 13.428 8.534 279 HA3 GLY 35 3HA GLY 35 9.832 13.789 7.195 280 H ASN 36 H ASN 36 7.074 12.845 5.698 281 HA ASN 36 HA ASN 36 6.268 15.610 5.145 282 HB2 ASN 36 2HB ASN 36 5.599 12.967 3.771 283 HB3 ASN 36 3HB ASN 36 4.959 14.530 3.261 284 HD21 ASN 36 1HD2 ASN 36 5.950 14.434 1.247 285 HD22 ASN 36 2HD2 ASN 36 7.655 14.578 1.023 286 H GLY 37 H GLY 37 5.566 14.812 7.682 287 HA2 GLY 37 2HA GLY 37 3.642 15.413 8.917 288 HA3 GLY 37 3HA GLY 37 2.612 14.839 7.617 289 H CYS 38 H CYS 38 4.389 12.386 7.442 290 HA CYS 38 HA CYS 38 3.637 10.964 9.924 291 HB2 CYS 38 2HB CYS 38 3.940 8.901 8.318 292 HB3 CYS 38 3HB CYS 38 2.466 9.852 8.194 293 HA PRO 39 HA PRO 39 8.129 11.380 10.666 294 HB2 PRO 39 2HB PRO 39 8.158 9.224 12.572 295 HB3 PRO 39 3HB PRO 39 7.982 10.954 12.918 296 HG2 PRO 39 2HG PRO 39 5.874 8.862 12.660 297 HG3 PRO 39 3HG PRO 39 5.928 10.280 13.728 298 HD2 PRO 39 2HD PRO 39 4.340 10.243 11.571 299 HD3 PRO 39 3HD PRO 39 5.193 11.737 12.037 300 H LYS 40 H LYS 40 6.633 8.204 10.138 301 HA LYS 40 HA LYS 40 9.122 7.166 8.893 302 HB2 LYS 40 2HB LYS 40 6.694 5.597 9.881 303 HB3 LYS 40 3HB LYS 40 8.217 4.920 9.303 304 HG2 LYS 40 2HG LYS 40 9.397 5.937 11.239 305 HG3 LYS 40 3HG LYS 40 7.864 6.591 11.823 306 HD2 LYS 40 2HD LYS 40 8.547 3.637 11.518 307 HD3 LYS 40 3HD LYS 40 8.493 4.533 13.035 308 HE2 LYS 40 2HE LYS 40 6.111 4.042 11.206 309 HE3 LYS 40 3HE LYS 40 6.462 3.166 12.696 310 HZ1 LYS 40 1HZ LYS 40 6.223 5.208 13.928 311 HZ2 LYS 40 2HZ LYS 40 4.824 4.884 13.042 312 HZ3 LYS 40 3HZ LYS 40 5.903 6.071 12.508 313 H THR 41 H THR 41 8.863 5.917 6.927 314 HA THR 41 HA THR 41 7.376 7.175 4.909 315 HB THR 41 HB THR 41 8.520 4.344 4.802 316 HG1 THR 41 HG1 THR 41 10.179 5.708 5.431 317 HG21 THR 41 1HG2 THR 41 8.033 6.373 2.586 318 HG22 THR 41 2HG2 THR 41 7.108 4.892 2.856 319 HG23 THR 41 3HG2 THR 41 8.806 4.803 2.377 320 H GLU 42 H GLU 42 5.218 7.026 4.547 321 HA GLU 42 HA GLU 42 3.731 4.669 5.618 322 HB2 GLU 42 2HB GLU 42 3.367 6.993 6.657 323 HB3 GLU 42 3HB GLU 42 2.614 7.470 5.138 324 HG2 GLU 42 2HG GLU 42 0.779 5.996 5.445 325 HG3 GLU 42 3HG GLU 42 1.620 5.054 6.675 326 H VAL 43 H VAL 43 3.192 3.334 4.000 327 HA VAL 43 HA VAL 43 2.991 4.301 1.248 328 HB VAL 43 HB VAL 43 2.826 1.433 2.310 329 HG11 VAL 43 1HG1 VAL 43 3.249 0.756 -0.032 330 HG12 VAL 43 2HG1 VAL 43 3.209 2.447 -0.535 331 HG13 VAL 43 3HG1 VAL 43 1.753 1.685 0.106 332 HG21 VAL 43 1HG2 VAL 43 5.026 2.455 2.806 333 HG22 VAL 43 2HG2 VAL 43 5.215 2.890 1.105 334 HG23 VAL 43 3HG2 VAL 43 5.172 1.193 1.582 335 H VAL 44 H VAL 44 1.080 5.221 0.847 336 HA VAL 44 HA VAL 44 -1.420 4.292 2.058 337 HB VAL 44 HB VAL 44 -0.934 6.677 0.186 338 HG11 VAL 44 1HG1 VAL 44 -3.296 6.091 2.014 339 HG12 VAL 44 2HG1 VAL 44 -3.297 5.979 0.251 340 HG13 VAL 44 3HG1 VAL 44 -3.083 7.545 1.035 341 HG21 VAL 44 1HG2 VAL 44 -1.000 6.665 3.230 342 HG22 VAL 44 2HG2 VAL 44 -0.927 8.105 2.213 343 HG23 VAL 44 3HG2 VAL 44 0.415 6.962 2.219 344 H ILE 45 H ILE 45 -2.335 2.627 1.006 345 HA ILE 45 HA ILE 45 -2.138 2.368 -1.936 346 HB ILE 45 HB ILE 45 -2.789 0.223 0.152 347 HG12 ILE 45 2HG1 ILE 45 -0.225 0.665 -1.453 348 HG13 ILE 45 3HG1 ILE 45 -0.417 0.979 0.268 349 HG21 ILE 45 1HG2 ILE 45 -2.341 -0.063 -2.848 350 HG22 ILE 45 2HG2 ILE 45 -3.881 -0.251 -2.007 351 HG23 ILE 45 3HG2 ILE 45 -2.572 -1.396 -1.715 352 HD11 ILE 45 1HD1 ILE 45 0.768 -1.064 -0.070 353 HD12 ILE 45 2HD1 ILE 45 -0.515 -1.710 -1.089 354 HD13 ILE 45 3HD1 ILE 45 -0.807 -1.428 0.632 355 H TRP 46 H TRP 46 -3.931 2.957 -2.991 356 HA TRP 46 HA TRP 46 -6.594 2.916 -1.734 357 HB2 TRP 46 2HB TRP 46 -5.651 4.007 -4.430 358 HB3 TRP 46 3HB TRP 46 -7.293 4.121 -3.822 359 HD1 TRP 46 HD1 TRP 46 -3.728 5.458 -2.954 360 HE1 TRP 46 HE1 TRP 46 -4.012 7.689 -1.703 361 HE3 TRP 46 HE3 TRP 46 -8.843 5.549 -2.564 362 HZ2 TRP 46 HZ2 TRP 46 -6.112 9.294 -0.713 363 HZ3 TRP 46 HZ3 TRP 46 -9.911 7.473 -1.456 364 HH2 TRP 46 HH2 TRP 46 -8.570 9.309 -0.547 365 H THR 47 H THR 47 -7.842 1.139 -2.053 366 HA THR 47 HA THR 47 -7.286 -0.786 -4.186 367 HB THR 47 HB THR 47 -9.302 -1.992 -3.211 368 HG1 THR 47 HG1 THR 47 -9.159 -0.209 -1.042 369 HG21 THR 47 1HG2 THR 47 -7.120 -1.275 -1.215 370 HG22 THR 47 2HG2 THR 47 -7.030 -2.563 -2.418 371 HG23 THR 47 3HG2 THR 47 -8.201 -2.665 -1.101 372 H LYS 48 H LYS 48 -9.057 -1.477 -5.643 373 HA LYS 48 HA LYS 48 -10.291 0.704 -7.012 374 HB2 LYS 48 2HB LYS 48 -11.096 -0.959 -8.610 375 HB3 LYS 48 3HB LYS 48 -9.419 -1.283 -8.214 376 HG2 LYS 48 2HG LYS 48 -10.131 -3.130 -6.724 377 HG3 LYS 48 3HG LYS 48 -11.815 -2.800 -7.144 378 HD2 LYS 48 2HD LYS 48 -11.266 -3.291 -9.548 379 HD3 LYS 48 3HD LYS 48 -9.618 -3.704 -9.055 380 HE2 LYS 48 2HE LYS 48 -10.898 -5.747 -9.316 381 HE3 LYS 48 3HE LYS 48 -10.558 -5.514 -7.602 382 HZ1 LYS 48 1HZ LYS 48 -12.824 -6.199 -7.932 383 HZ2 LYS 48 2HZ LYS 48 -13.120 -4.915 -8.979 384 HZ3 LYS 48 3HZ LYS 48 -12.807 -4.614 -7.348 385 H MET 49 H MET 49 -11.305 -1.146 -4.341 386 HA MET 49 HA MET 49 -14.155 -0.503 -4.632 387 HB2 MET 49 2HB MET 49 -14.506 -1.757 -2.592 388 HB3 MET 49 3HB MET 49 -13.416 -2.692 -3.602 389 HG2 MET 49 2HG MET 49 -11.511 -1.918 -2.230 390 HG3 MET 49 3HG MET 49 -12.623 -1.016 -1.210 391 HE1 MET 49 1HE MET 49 -12.340 -5.620 -1.384 392 HE2 MET 49 2HE MET 49 -11.398 -4.520 -2.388 393 HE3 MET 49 3HE MET 49 -13.121 -4.751 -2.701 394 H LYS 50 H LYS 50 -11.537 1.276 -3.957 395 HA LYS 50 HA LYS 50 -11.129 3.323 -3.151 396 HB2 LYS 50 2HB LYS 50 -14.146 3.437 -2.726 397 HB3 LYS 50 3HB LYS 50 -13.079 4.819 -2.503 398 HG2 LYS 50 2HG LYS 50 -13.448 3.301 -5.106 399 HG3 LYS 50 3HG LYS 50 -14.199 4.850 -4.708 400 HD2 LYS 50 2HD LYS 50 -11.997 5.927 -4.578 401 HD3 LYS 50 3HD LYS 50 -11.195 4.373 -4.845 402 HE2 LYS 50 2HE LYS 50 -11.206 5.692 -6.895 403 HE3 LYS 50 3HE LYS 50 -12.190 4.246 -7.097 404 HZ1 LYS 50 1HZ LYS 50 -14.161 5.597 -6.749 405 HZ2 LYS 50 2HZ LYS 50 -13.253 6.173 -8.050 406 HZ3 LYS 50 3HZ LYS 50 -13.218 6.978 -6.566 407 H LYS 51 H LYS 51 -11.204 0.898 -1.367 408 HA LYS 51 HA LYS 51 -11.475 2.040 1.307 409 HB2 LYS 51 2HB LYS 51 -11.994 -0.382 0.820 410 HB3 LYS 51 3HB LYS 51 -10.302 -0.644 0.416 411 HG2 LYS 51 2HG LYS 51 -9.750 0.071 2.811 412 HG3 LYS 51 3HG LYS 51 -11.488 0.005 3.130 413 HD2 LYS 51 2HD LYS 51 -11.436 -2.416 2.317 414 HD3 LYS 51 3HD LYS 51 -9.671 -2.285 2.295 415 HE2 LYS 51 2HE LYS 51 -10.476 -3.361 4.359 416 HE3 LYS 51 3HE LYS 51 -9.658 -1.839 4.709 417 HZ1 LYS 51 1HZ LYS 51 -11.805 -0.776 4.933 418 HZ2 LYS 51 2HZ LYS 51 -11.690 -2.084 5.991 419 HZ3 LYS 51 3HZ LYS 51 -12.599 -2.219 4.575 420 H VAL 52 H VAL 52 -9.848 3.024 2.362 421 HA VAL 52 HA VAL 52 -7.199 3.296 1.134 422 HB VAL 52 HB VAL 52 -8.386 4.705 3.580 423 HG11 VAL 52 1HG1 VAL 52 -5.809 5.291 2.068 424 HG12 VAL 52 2HG1 VAL 52 -5.926 4.637 3.703 425 HG13 VAL 52 3HG1 VAL 52 -6.476 6.280 3.369 426 HG21 VAL 52 1HG2 VAL 52 -8.050 5.704 0.727 427 HG22 VAL 52 2HG2 VAL 52 -8.602 6.678 2.091 428 HG23 VAL 52 3HG2 VAL 52 -9.579 5.324 1.525 429 H ILE 53 H ILE 53 -5.734 1.803 1.677 430 HA ILE 53 HA ILE 53 -5.561 0.832 4.478 431 HB ILE 53 HB ILE 53 -4.671 -1.354 3.614 432 HG12 ILE 53 2HG1 ILE 53 -5.684 -0.447 0.872 433 HG13 ILE 53 3HG1 ILE 53 -3.991 -0.571 1.319 434 HG21 ILE 53 1HG2 ILE 53 -6.855 -2.328 3.041 435 HG22 ILE 53 2HG2 ILE 53 -7.496 -0.719 2.696 436 HG23 ILE 53 3HG2 ILE 53 -7.013 -1.143 4.340 437 HD11 ILE 53 1HD1 ILE 53 -4.669 -2.452 -0.012 438 HD12 ILE 53 2HD1 ILE 53 -5.951 -2.851 1.133 439 HD13 ILE 53 3HD1 ILE 53 -4.257 -2.982 1.618 440 H CYS 54 H CYS 54 -3.575 1.187 5.374 441 HA CYS 54 HA CYS 54 -1.341 1.953 3.570 442 HB2 CYS 54 2HB CYS 54 -2.120 3.193 6.235 443 HB3 CYS 54 3HB CYS 54 -0.596 3.516 5.399 444 H VAL 55 H VAL 55 0.632 1.122 3.974 445 HA VAL 55 HA VAL 55 1.003 -0.700 6.276 446 HB VAL 55 HB VAL 55 2.197 -2.339 4.802 447 HG11 VAL 55 1HG1 VAL 55 -0.683 -1.885 3.958 448 HG12 VAL 55 2HG1 VAL 55 -0.168 -2.695 5.438 449 HG13 VAL 55 3HG1 VAL 55 0.217 -3.404 3.871 450 HG21 VAL 55 1HG2 VAL 55 1.938 -2.250 2.349 451 HG22 VAL 55 2HG2 VAL 55 2.797 -0.826 2.941 452 HG23 VAL 55 3HG2 VAL 55 1.098 -0.700 2.480 453 H ASN 56 H ASN 56 3.259 -1.343 6.542 454 HA ASN 56 HA ASN 56 5.000 0.918 6.661 455 HB2 ASN 56 2HB ASN 56 5.549 -2.016 7.283 456 HB3 ASN 56 3HB ASN 56 6.536 -0.653 7.801 457 HD21 ASN 56 1HD2 ASN 56 4.058 0.989 8.434 458 HD22 ASN 56 2HD2 ASN 56 3.497 0.329 9.923 459 HA PRO 57 HA PRO 57 7.130 0.720 2.805 460 HB2 PRO 57 2HB PRO 57 9.786 1.187 3.422 461 HB3 PRO 57 3HB PRO 57 8.530 2.435 3.553 462 HG2 PRO 57 2HG PRO 57 9.626 0.659 5.730 463 HG3 PRO 57 3HG PRO 57 9.414 2.427 5.738 464 HD2 PRO 57 2HD PRO 57 7.598 0.867 6.913 465 HD3 PRO 57 3HD PRO 57 7.069 2.275 5.962 466 H ARG 58 H ARG 58 8.375 -1.453 5.271 467 HA ARG 58 HA ARG 58 9.726 -3.151 3.252 468 HB2 ARG 58 2HB ARG 58 10.156 -2.988 6.261 469 HB3 ARG 58 3HB ARG 58 11.011 -4.066 5.163 470 HG2 ARG 58 2HG ARG 58 11.841 -1.941 3.963 471 HG3 ARG 58 3HG ARG 58 11.235 -1.048 5.363 472 HD2 ARG 58 2HD ARG 58 13.630 -1.514 5.618 473 HD3 ARG 58 3HD ARG 58 12.713 -2.392 6.846 474 HE ARG 58 HE ARG 58 13.893 -3.569 4.397 475 HH11 ARG 58 1HH1 ARG 58 12.718 -4.050 7.683 476 HH12 ARG 58 2HH1 ARG 58 13.219 -5.710 7.738 477 HH21 ARG 58 1HH2 ARG 58 14.471 -5.731 4.456 478 HH22 ARG 58 2HH2 ARG 58 14.216 -6.660 5.899 479 H ALA 59 H ALA 59 6.785 -3.096 4.089 480 HA ALA 59 HA ALA 59 6.192 -5.658 5.172 481 HB1 ALA 59 1HB ALA 59 3.951 -5.346 4.117 482 HB2 ALA 59 2HB ALA 59 4.560 -3.905 3.297 483 HB3 ALA 59 3HB ALA 59 4.459 -3.942 5.055 484 H LYS 60 H LYS 60 6.386 -7.643 4.228 485 HA LYS 60 HA LYS 60 7.967 -7.835 1.846 486 HB2 LYS 60 2HB LYS 60 6.782 -10.070 3.550 487 HB3 LYS 60 3HB LYS 60 7.860 -10.328 2.186 488 HG2 LYS 60 2HG LYS 60 9.282 -10.488 4.042 489 HG3 LYS 60 3HG LYS 60 9.559 -8.856 3.440 490 HD2 LYS 60 2HD LYS 60 9.443 -8.834 5.881 491 HD3 LYS 60 3HD LYS 60 8.055 -7.965 5.220 492 HE2 LYS 60 2HE LYS 60 6.608 -9.905 5.635 493 HE3 LYS 60 3HE LYS 60 7.995 -10.853 6.184 494 HZ1 LYS 60 1HZ LYS 60 8.278 -9.210 7.987 495 HZ2 LYS 60 2HZ LYS 60 6.814 -10.045 8.073 496 HZ3 LYS 60 3HZ LYS 60 6.843 -8.457 7.506 497 H TRP 61 H TRP 61 4.546 -8.351 2.553 498 HA TRP 61 HA TRP 61 3.834 -9.592 0.095 499 HB2 TRP 61 2HB TRP 61 1.565 -9.278 0.696 500 HB3 TRP 61 3HB TRP 61 2.363 -9.326 2.260 501 HD1 TRP 61 HD1 TRP 61 2.415 -6.993 3.680 502 HE1 TRP 61 HE1 TRP 61 0.997 -4.858 3.489 503 HE3 TRP 61 HE3 TRP 61 0.372 -7.759 -0.958 504 HZ2 TRP 61 HZ2 TRP 61 -0.769 -3.656 1.627 505 HZ3 TRP 61 HZ3 TRP 61 -1.166 -6.067 -1.874 506 HH2 TRP 61 HH2 TRP 61 -1.723 -4.053 -0.600 507 H LEU 62 H LEU 62 4.401 -6.271 1.057 508 HA LEU 62 HA LEU 62 3.454 -4.993 -1.319 509 HB2 LEU 62 2HB LEU 62 3.628 -3.791 0.809 510 HB3 LEU 62 3HB LEU 62 5.358 -4.090 0.867 511 HG LEU 62 HG LEU 62 5.625 -2.651 -1.195 512 HD11 LEU 62 1HD1 LEU 62 2.705 -2.002 -0.756 513 HD12 LEU 62 2HD1 LEU 62 3.419 -2.823 -2.149 514 HD13 LEU 62 3HD1 LEU 62 3.809 -1.139 -1.828 515 HD21 LEU 62 1HD2 LEU 62 4.401 -1.258 1.200 516 HD22 LEU 62 2HD2 LEU 62 5.398 -0.507 -0.047 517 HD23 LEU 62 3HD2 LEU 62 6.094 -1.726 1.016 518 H GLN 63 H GLN 63 6.589 -6.256 -0.203 519 HA GLN 63 HA GLN 63 8.272 -5.110 -2.137 520 HB2 GLN 63 2HB GLN 63 9.104 -6.205 -0.070 521 HB3 GLN 63 3HB GLN 63 8.628 -7.780 -0.701 522 HG2 GLN 63 2HG GLN 63 10.257 -7.496 -2.564 523 HG3 GLN 63 3HG GLN 63 10.740 -5.943 -1.880 524 HE21 GLN 63 1HE2 GLN 63 11.961 -5.932 0.064 525 HE22 GLN 63 2HE2 GLN 63 12.786 -7.345 0.621 526 H ARG 64 H ARG 64 6.529 -8.221 -2.168 527 HA ARG 64 HA ARG 64 7.512 -9.108 -4.688 528 HB2 ARG 64 2HB ARG 64 5.928 -10.908 -4.545 529 HB3 ARG 64 3HB ARG 64 6.553 -10.611 -2.929 530 HG2 ARG 64 2HG ARG 64 4.410 -9.301 -2.468 531 HG3 ARG 64 3HG ARG 64 3.809 -9.914 -4.007 532 HD2 ARG 64 2HD ARG 64 4.627 -11.574 -1.592 533 HD3 ARG 64 3HD ARG 64 2.981 -11.294 -2.164 534 HE ARG 64 HE ARG 64 4.261 -12.429 -4.298 535 HH11 ARG 64 1HH1 ARG 64 3.725 -13.470 -0.963 536 HH12 ARG 64 2HH1 ARG 64 3.734 -15.157 -1.370 537 HH21 ARG 64 1HH2 ARG 64 4.251 -14.628 -4.813 538 HH22 ARG 64 2HH2 ARG 64 4.034 -15.815 -3.569 539 H LEU 65 H LEU 65 4.719 -7.149 -3.758 540 HA LEU 65 HA LEU 65 3.415 -6.887 -6.242 541 HB2 LEU 65 2HB LEU 65 3.548 -5.312 -3.705 542 HB3 LEU 65 3HB LEU 65 3.082 -4.376 -5.100 543 HG LEU 65 HG LEU 65 1.169 -5.234 -3.695 544 HD11 LEU 65 1HD1 LEU 65 1.099 -6.175 -6.573 545 HD12 LEU 65 2HD1 LEU 65 0.832 -4.520 -6.029 546 HD13 LEU 65 3HD1 LEU 65 -0.283 -5.791 -5.541 547 HD21 LEU 65 1HD2 LEU 65 2.053 -7.486 -3.156 548 HD22 LEU 65 2HD2 LEU 65 1.828 -7.978 -4.833 549 HD23 LEU 65 3HD2 LEU 65 0.435 -7.549 -3.841 550 H LEU 66 H LEU 66 6.089 -5.008 -4.822 551 HA LEU 66 HA LEU 66 6.462 -3.164 -6.947 552 HB2 LEU 66 2HB LEU 66 8.450 -4.089 -4.828 553 HB3 LEU 66 3HB LEU 66 8.633 -2.656 -5.831 554 HG LEU 66 HG LEU 66 6.430 -3.077 -3.766 555 HD11 LEU 66 1HD1 LEU 66 8.605 -2.786 -2.689 556 HD12 LEU 66 2HD1 LEU 66 7.565 -1.395 -2.407 557 HD13 LEU 66 3HD1 LEU 66 8.873 -1.292 -3.590 558 HD21 LEU 66 1HD2 LEU 66 7.059 -0.617 -5.435 559 HD22 LEU 66 2HD2 LEU 66 5.889 -0.690 -4.115 560 HD23 LEU 66 3HD2 LEU 66 5.627 -1.645 -5.569 561 H ARG 67 H ARG 67 7.839 -6.350 -6.290 562 HA ARG 67 HA ARG 67 9.781 -6.388 -8.388 563 HB2 ARG 67 2HB ARG 67 8.454 -8.642 -6.814 564 HB3 ARG 67 3HB ARG 67 9.750 -8.906 -7.979 565 HG2 ARG 67 2HG ARG 67 11.284 -7.540 -6.629 566 HG3 ARG 67 3HG ARG 67 9.992 -7.192 -5.478 567 HD2 ARG 67 2HD ARG 67 11.441 -8.920 -4.575 568 HD3 ARG 67 3HD ARG 67 9.856 -9.611 -4.929 569 HE ARG 67 HE ARG 67 11.598 -10.010 -7.134 570 HH11 ARG 67 1HH1 ARG 67 11.056 -11.243 -3.869 571 HH12 ARG 67 2HH1 ARG 67 11.753 -12.797 -4.212 572 HH21 ARG 67 1HH2 ARG 67 12.514 -12.057 -7.563 573 HH22 ARG 67 2HH2 ARG 67 12.578 -13.252 -6.302 574 H HIS 68 H HIS 68 6.349 -7.252 -8.181 575 HA HIS 68 HA HIS 68 6.152 -8.381 -10.816 576 HB2 HIS 68 2HB HIS 68 4.525 -8.977 -9.067 577 HB3 HIS 68 3HB HIS 68 3.974 -7.308 -8.973 578 HD1 HIS 68 HD1 HIS 68 1.859 -6.941 -10.209 579 HD2 HIS 68 HD2 HIS 68 4.081 -10.000 -11.926 580 HE1 HIS 68 HE1 HIS 68 0.469 -7.793 -12.116 581 HE2 HIS 68 HE2 HIS 68 1.878 -9.577 -13.192 582 H VAL 69 H VAL 69 5.865 -5.104 -9.510 583 HA VAL 69 HA VAL 69 4.691 -3.838 -11.776 584 HB VAL 69 HB VAL 69 6.533 -2.651 -9.638 585 HG11 VAL 69 1HG1 VAL 69 5.686 -0.417 -10.341 586 HG12 VAL 69 2HG1 VAL 69 4.836 -1.172 -11.692 587 HG13 VAL 69 3HG1 VAL 69 6.598 -1.211 -11.628 588 HG21 VAL 69 1HG2 VAL 69 3.502 -2.559 -9.877 589 HG22 VAL 69 2HG2 VAL 69 4.458 -1.749 -8.632 590 HG23 VAL 69 3HG2 VAL 69 4.422 -3.510 -8.712 591 H GLN 70 H GLN 70 8.101 -4.194 -10.734 592 HA GLN 70 HA GLN 70 9.023 -3.622 -13.476 593 HB2 GLN 70 2HB GLN 70 10.177 -2.491 -11.536 594 HB3 GLN 70 3HB GLN 70 10.716 -4.069 -10.973 595 HG2 GLN 70 2HG GLN 70 11.983 -4.370 -13.100 596 HG3 GLN 70 3HG GLN 70 11.461 -2.769 -13.621 597 HE21 GLN 70 1HE2 GLN 70 12.323 -0.928 -12.543 598 HE22 GLN 70 2HE2 GLN 70 13.794 -1.026 -11.641 599 H SER 71 H SER 71 7.611 -5.742 -13.669 600 HA SER 71 HA SER 71 9.017 -8.234 -13.423 601 HB2 SER 71 2HB SER 71 6.540 -8.109 -13.712 602 HB3 SER 71 3HB SER 71 6.758 -7.457 -15.334 603 HG SER 71 HG SER 71 8.081 -9.853 -14.782 604 H LYS 72 H LYS 72 8.987 -5.593 -15.665 605 HA LYS 72 HA LYS 72 10.498 -6.925 -17.764 606 HB2 LYS 72 2HB LYS 72 9.740 -3.990 -17.430 607 HB3 LYS 72 3HB LYS 72 10.360 -4.745 -18.896 608 HG2 LYS 72 2HG LYS 72 8.311 -6.099 -19.085 609 HG3 LYS 72 3HG LYS 72 7.695 -5.395 -17.587 610 HD2 LYS 72 2HD LYS 72 8.321 -3.817 -20.119 611 HD3 LYS 72 3HD LYS 72 6.709 -4.345 -19.633 612 HE2 LYS 72 2HE LYS 72 6.774 -2.938 -17.659 613 HE3 LYS 72 3HE LYS 72 8.464 -2.523 -17.946 614 HZ1 LYS 72 1HZ LYS 72 6.186 -1.797 -19.706 615 HZ2 LYS 72 2HZ LYS 72 7.804 -1.389 -19.971 616 HZ3 LYS 72 3HZ LYS 72 6.982 -0.754 -18.641 617 H SER 73 H SER 73 12.644 -7.171 -17.512 618 HA SER 73 HA SER 73 14.268 -5.841 -15.599 619 HB2 SER 73 2HB SER 73 15.060 -7.503 -18.033 620 HB3 SER 73 3HB SER 73 16.151 -7.043 -16.727 621 HG SER 73 HG SER 73 14.331 -8.113 -15.399 622 H LEU 74 H LEU 74 15.373 -3.968 -15.746 623 HA LEU 74 HA LEU 74 16.394 -2.092 -16.430 624 HB2 LEU 74 2HB LEU 74 17.677 -3.735 -17.872 625 HB3 LEU 74 3HB LEU 74 16.552 -3.406 -19.176 626 HG LEU 74 HG LEU 74 17.344 -1.000 -19.171 627 HD11 LEU 74 1HD1 LEU 74 19.507 -0.474 -18.065 628 HD12 LEU 74 2HD1 LEU 74 19.409 -2.006 -17.194 629 HD13 LEU 74 3HD1 LEU 74 18.191 -0.757 -16.929 630 HD21 LEU 74 1HD2 LEU 74 19.490 -3.079 -19.698 631 HD22 LEU 74 2HD2 LEU 74 19.459 -1.432 -20.336 632 HD23 LEU 74 3HD2 LEU 74 18.213 -2.583 -20.814 633 H SER 75 H SER 75 13.460 -2.383 -16.558 634 HA SER 75 HA SER 75 12.594 -0.609 -18.714 635 HB2 SER 75 2HB SER 75 11.145 -2.512 -17.898 636 HB3 SER 75 3HB SER 75 10.933 -1.644 -16.374 637 HG SER 75 HG SER 75 10.263 -0.646 -18.962 638 H SER 76 H SER 76 12.656 1.534 -18.539 639 HA SER 76 HA SER 76 12.770 2.874 -15.889 640 HB2 SER 76 2HB SER 76 14.869 3.018 -17.254 641 HB3 SER 76 3HB SER 76 13.962 3.776 -18.558 642 HG SER 76 HG SER 76 13.536 5.520 -17.177 643 H THR 77 H THR 77 10.381 2.095 -17.591 644 HA THR 77 HA THR 77 9.117 4.776 -17.732 645 HB THR 77 HB THR 77 7.667 3.889 -19.602 646 HG1 THR 77 HG1 THR 77 7.805 1.741 -19.552 647 HG21 THR 77 1HG2 THR 77 10.647 3.883 -20.247 648 HG22 THR 77 2HG2 THR 77 9.602 5.308 -20.208 649 HG23 THR 77 3HG2 THR 77 9.346 4.054 -21.422 650 HA PRO 78 HA PRO 78 6.535 1.943 -15.011 651 HB2 PRO 78 2HB PRO 78 7.034 2.888 -12.531 652 HB3 PRO 78 3HB PRO 78 8.190 1.804 -13.332 653 HG2 PRO 78 2HG PRO 78 8.337 4.769 -12.955 654 HG3 PRO 78 3HG PRO 78 9.640 3.560 -12.892 655 HD2 PRO 78 2HD PRO 78 9.018 5.178 -15.121 656 HD3 PRO 78 3HD PRO 78 10.029 3.719 -15.145 657 H GLN 79 H GLN 79 4.419 2.452 -14.525 658 HA GLN 79 HA GLN 79 3.495 5.217 -14.577 659 HB2 GLN 79 2HB GLN 79 2.009 2.569 -14.259 660 HB3 GLN 79 3HB GLN 79 1.210 4.138 -14.217 661 HG2 GLN 79 2HG GLN 79 1.969 4.603 -16.520 662 HG3 GLN 79 3HG GLN 79 2.787 3.042 -16.575 663 HE21 GLN 79 1HE2 GLN 79 0.618 4.148 -18.247 664 HE22 GLN 79 2HE2 GLN 79 -0.661 2.987 -18.164 665 H ALA 80 H ALA 80 4.845 5.795 -12.797 666 HA ALA 80 HA ALA 80 4.348 4.813 -10.118 667 HB1 ALA 80 1HB ALA 80 6.623 5.466 -10.822 668 HB2 ALA 80 2HB ALA 80 6.080 6.457 -9.467 669 HB3 ALA 80 3HB ALA 80 6.076 7.121 -11.103 670 HA PRO 81 HA PRO 81 0.986 7.571 -9.192 671 HB2 PRO 81 2HB PRO 81 1.192 7.847 -6.470 672 HB3 PRO 81 3HB PRO 81 0.703 6.317 -7.235 673 HG2 PRO 81 2HG PRO 81 3.443 7.134 -6.279 674 HG3 PRO 81 3HG PRO 81 2.549 5.629 -5.960 675 HD2 PRO 81 2HD PRO 81 4.421 5.700 -7.874 676 HD3 PRO 81 3HD PRO 81 2.914 4.785 -8.118 677 H VAL 82 H VAL 82 1.755 9.359 -10.364 678 HA VAL 82 HA VAL 82 3.512 11.357 -9.179 679 HB VAL 82 HB VAL 82 3.365 12.633 -11.230 680 HG11 VAL 82 1HG1 VAL 82 4.281 11.065 -12.866 681 HG12 VAL 82 2HG1 VAL 82 3.635 9.694 -11.971 682 HG13 VAL 82 3HG1 VAL 82 4.895 10.697 -11.253 683 HG21 VAL 82 1HG2 VAL 82 0.926 12.348 -11.701 684 HG22 VAL 82 2HG2 VAL 82 1.246 10.727 -12.318 685 HG23 VAL 82 3HG2 VAL 82 1.936 12.128 -13.129 686 H SER 83 H SER 83 0.168 10.719 -9.182 687 HA SER 83 HA SER 83 -0.877 13.354 -8.897 688 HB2 SER 83 2HB SER 83 -2.317 11.454 -9.562 689 HB3 SER 83 3HB SER 83 -2.048 10.677 -8.003 690 HG SER 83 HG SER 83 -3.346 13.162 -8.471 691 H LYS 84 H LYS 84 0.424 14.411 -7.431 692 HA LYS 84 HA LYS 84 0.559 13.632 -4.620 693 HB2 LYS 84 2HB LYS 84 2.442 14.797 -5.862 694 HB3 LYS 84 3HB LYS 84 1.417 16.221 -5.997 695 HG2 LYS 84 2HG LYS 84 1.362 16.339 -3.477 696 HG3 LYS 84 3HG LYS 84 2.520 15.005 -3.436 697 HD2 LYS 84 2HD LYS 84 2.958 17.771 -4.630 698 HD3 LYS 84 3HD LYS 84 3.717 17.119 -3.177 699 HE2 LYS 84 2HE LYS 84 4.144 16.108 -6.015 700 HE3 LYS 84 3HE LYS 84 5.276 17.088 -5.084 701 HZ1 LYS 84 1HZ LYS 84 4.381 14.357 -4.337 702 HZ2 LYS 84 2HZ LYS 84 5.510 15.300 -3.507 703 HZ3 LYS 84 3HZ LYS 84 5.856 14.739 -5.061 704 H ARG 85 H ARG 85 -1.766 13.498 -4.379 705 HA ARG 85 HA ARG 85 -3.230 16.081 -4.395 706 HB2 ARG 85 2HB ARG 85 -3.842 14.559 -6.299 707 HB3 ARG 85 3HB ARG 85 -4.346 13.335 -5.139 708 HG2 ARG 85 2HG ARG 85 -6.301 14.511 -5.987 709 HG3 ARG 85 3HG ARG 85 -6.085 14.904 -4.278 710 HD2 ARG 85 2HD ARG 85 -5.016 17.052 -4.920 711 HD3 ARG 85 3HD ARG 85 -5.257 16.654 -6.627 712 HE ARG 85 HE ARG 85 -7.714 16.578 -5.197 713 HH11 ARG 85 1HH1 ARG 85 -5.401 18.848 -6.559 714 HH12 ARG 85 2HH1 ARG 85 -6.581 20.102 -6.783 715 HH21 ARG 85 1HH2 ARG 85 -9.256 18.233 -5.488 716 HH22 ARG 85 2HH2 ARG 85 -8.762 19.751 -6.179 717 H ARG 86 H ARG 86 -3.049 16.477 -2.237 718 HA ARG 86 HA ARG 86 -4.270 14.618 -0.314 719 HB2 ARG 86 2HB ARG 86 -2.758 17.237 0.052 720 HB3 ARG 86 3HB ARG 86 -3.578 16.409 1.372 721 HG2 ARG 86 2HG ARG 86 -2.144 14.415 0.977 722 HG3 ARG 86 3HG ARG 86 -1.273 15.315 -0.269 723 HD2 ARG 86 2HD ARG 86 -0.425 16.880 1.346 724 HD3 ARG 86 3HD ARG 86 -1.501 16.262 2.606 725 HE ARG 86 HE ARG 86 0.588 14.554 1.417 726 HH11 ARG 86 1HH1 ARG 86 -0.769 16.121 4.248 727 HH12 ARG 86 2HH1 ARG 86 0.240 15.261 5.361 728 HH21 ARG 86 1HH2 ARG 86 1.859 13.384 2.859 729 HH22 ARG 86 2HH2 ARG 86 1.755 13.689 4.568 730 H ALA 87 H ALA 87 -6.299 14.891 -1.533 731 HA ALA 87 HA ALA 87 -7.837 17.314 -1.189 732 HB1 ALA 87 1HB ALA 87 -9.719 15.948 -2.031 733 HB2 ALA 87 2HB ALA 87 -8.713 14.499 -1.931 734 HB3 ALA 87 3HB ALA 87 -8.295 15.789 -3.061 735 H ALA 88 H ALA 88 -9.711 17.491 0.228 736 HA ALA 88 HA ALA 88 -9.343 16.138 2.816 737 HB1 ALA 88 1HB ALA 88 -9.446 18.600 2.833 738 HB2 ALA 88 2HB ALA 88 -10.803 17.911 3.724 739 HB3 ALA 88 3HB ALA 88 -11.055 18.561 2.102 Start of MODEL 6 1 H1 ILE 1 1H ILE 1 -21.353 29.364 19.931 2 H2 ILE 1 2H ILE 1 -20.883 30.653 20.914 3 H3 ILE 1 3H ILE 1 -20.094 29.167 21.034 4 HA ILE 1 HA ILE 1 -20.104 30.901 18.645 5 HB ILE 1 HB ILE 1 -18.819 31.920 20.505 6 HG12 ILE 1 2HG1 ILE 1 -16.621 32.231 19.361 7 HG13 ILE 1 3HG1 ILE 1 -16.975 30.868 18.303 8 HG21 ILE 1 1HG2 ILE 1 -17.135 29.397 20.508 9 HG22 ILE 1 2HG2 ILE 1 -18.265 29.896 21.770 10 HG23 ILE 1 3HG2 ILE 1 -16.820 30.856 21.453 11 HD11 ILE 1 1HD1 ILE 1 -18.525 33.461 18.424 12 HD12 ILE 1 2HD1 ILE 1 -18.840 32.120 17.317 13 HD13 ILE 1 3HD1 ILE 1 -17.330 33.026 17.206 14 H LEU 2 H LEU 2 -19.037 30.038 16.840 15 HA LEU 2 HA LEU 2 -18.512 27.174 16.810 16 HB2 LEU 2 2HB LEU 2 -19.712 28.285 14.921 17 HB3 LEU 2 3HB LEU 2 -18.282 29.246 14.593 18 HG LEU 2 HG LEU 2 -17.023 27.110 14.078 19 HD11 LEU 2 1HD1 LEU 2 -18.271 25.053 13.662 20 HD12 LEU 2 2HD1 LEU 2 -19.748 25.809 14.263 21 HD13 LEU 2 3HD1 LEU 2 -18.384 25.543 15.352 22 HD21 LEU 2 1HD2 LEU 2 -17.918 28.479 12.259 23 HD22 LEU 2 2HD2 LEU 2 -19.462 27.629 12.350 24 HD23 LEU 2 3HD2 LEU 2 -18.005 26.764 11.856 25 H GLU 3 H GLU 3 -16.542 26.337 17.102 26 HA GLU 3 HA GLU 3 -14.093 27.947 16.636 27 HB2 GLU 3 2HB GLU 3 -12.925 26.265 18.052 28 HB3 GLU 3 3HB GLU 3 -14.198 27.100 18.928 29 HG2 GLU 3 2HG GLU 3 -15.645 25.171 18.802 30 HG3 GLU 3 3HG GLU 3 -14.535 24.339 17.717 31 H ALA 4 H ALA 4 -12.348 26.914 15.493 32 HA ALA 4 HA ALA 4 -13.193 24.760 13.632 33 HB1 ALA 4 1HB ALA 4 -11.564 25.707 12.034 34 HB2 ALA 4 2HB ALA 4 -11.139 26.972 13.191 35 HB3 ALA 4 3HB ALA 4 -12.764 26.911 12.503 36 H HIS 5 H HIS 5 -12.222 22.861 13.983 37 HA HIS 5 HA HIS 5 -9.836 22.582 15.595 38 HB2 HIS 5 2HB HIS 5 -11.561 20.549 14.122 39 HB3 HIS 5 3HB HIS 5 -10.111 20.100 15.016 40 HD1 HIS 5 HD1 HIS 5 -12.682 18.857 15.909 41 HD2 HIS 5 HD2 HIS 5 -11.323 22.485 17.412 42 HE1 HIS 5 HE1 HIS 5 -13.806 19.131 18.139 43 HE2 HIS 5 HE2 HIS 5 -12.976 21.337 19.009 44 H TYR 6 H TYR 6 -8.408 23.819 14.349 45 HA TYR 6 HA TYR 6 -7.534 23.276 11.738 46 HB2 TYR 6 2HB TYR 6 -5.391 24.478 12.534 47 HB3 TYR 6 3HB TYR 6 -6.899 25.368 12.656 48 HD1 TYR 6 HD1 TYR 6 -7.692 26.179 14.778 49 HD2 TYR 6 HD2 TYR 6 -4.388 23.465 14.676 50 HE1 TYR 6 HE1 TYR 6 -7.276 26.589 17.164 51 HE2 TYR 6 HE2 TYR 6 -3.979 23.878 17.068 52 HH TYR 6 HH TYR 6 -4.435 25.638 18.754 53 H THR 7 H THR 7 -5.833 22.059 10.923 54 HA THR 7 HA THR 7 -4.464 20.080 12.615 55 HB THR 7 HB THR 7 -6.165 19.365 10.174 56 HG1 THR 7 HG1 THR 7 -6.665 19.355 12.875 57 HG21 THR 7 1HG2 THR 7 -5.566 17.012 10.655 58 HG22 THR 7 2HG2 THR 7 -4.459 17.552 11.916 59 HG23 THR 7 3HG2 THR 7 -4.139 17.962 10.230 60 H ASN 8 H ASN 8 -2.368 20.143 12.084 61 HA ASN 8 HA ASN 8 -1.318 21.486 9.795 62 HB2 ASN 8 2HB ASN 8 -0.138 21.365 11.997 63 HB3 ASN 8 3HB ASN 8 0.101 19.635 11.767 64 HD21 ASN 8 1HD2 ASN 8 2.343 19.863 11.875 65 HD22 ASN 8 2HD2 ASN 8 3.275 20.571 10.606 66 H LEU 9 H LEU 9 -0.056 20.542 8.081 67 HA LEU 9 HA LEU 9 -1.495 18.396 6.841 68 HB2 LEU 9 2HB LEU 9 0.787 20.159 5.940 69 HB3 LEU 9 3HB LEU 9 0.343 18.758 4.988 70 HG LEU 9 HG LEU 9 -0.697 20.688 3.997 71 HD11 LEU 9 1HD1 LEU 9 -3.066 20.080 4.021 72 HD12 LEU 9 2HD1 LEU 9 -2.817 19.103 5.470 73 HD13 LEU 9 3HD1 LEU 9 -2.036 18.651 3.953 74 HD21 LEU 9 1HD2 LEU 9 -2.232 22.197 5.144 75 HD22 LEU 9 2HD2 LEU 9 -0.663 22.204 5.947 76 HD23 LEU 9 3HD2 LEU 9 -2.012 21.316 6.659 77 H LYS 10 H LYS 10 -1.089 16.606 8.160 78 HA LYS 10 HA LYS 10 1.533 15.305 8.070 79 HB2 LYS 10 2HB LYS 10 -1.195 14.391 9.104 80 HB3 LYS 10 3HB LYS 10 0.282 13.443 9.241 81 HG2 LYS 10 2HG LYS 10 1.274 15.107 10.719 82 HG3 LYS 10 3HG LYS 10 -0.112 16.181 10.498 83 HD2 LYS 10 2HD LYS 10 -1.581 14.556 11.613 84 HD3 LYS 10 3HD LYS 10 -0.243 13.415 11.779 85 HE2 LYS 10 2HE LYS 10 -0.304 16.179 13.039 86 HE3 LYS 10 3HE LYS 10 -0.761 14.693 13.872 87 HZ1 LYS 10 1HZ LYS 10 1.490 13.861 13.552 88 HZ2 LYS 10 2HZ LYS 10 1.524 15.345 14.357 89 HZ3 LYS 10 3HZ LYS 10 1.925 15.264 12.721 90 H CYS 11 H CYS 11 1.552 12.970 7.160 91 HA CYS 11 HA CYS 11 0.282 12.744 4.576 92 HB2 CYS 11 2HB CYS 11 1.831 10.700 6.244 93 HB3 CYS 11 3HB CYS 11 1.346 10.473 4.562 94 H ARG 12 H ARG 12 -1.853 12.228 4.378 95 HA ARG 12 HA ARG 12 -3.400 11.594 6.690 96 HB2 ARG 12 2HB ARG 12 -4.300 13.108 5.010 97 HB3 ARG 12 3HB ARG 12 -4.218 11.852 3.778 98 HG2 ARG 12 2HG ARG 12 -5.964 10.568 4.885 99 HG3 ARG 12 3HG ARG 12 -5.950 11.664 6.266 100 HD2 ARG 12 2HD ARG 12 -6.732 12.456 3.446 101 HD3 ARG 12 3HD ARG 12 -7.871 12.035 4.731 102 HE ARG 12 HE ARG 12 -6.292 14.035 5.779 103 HH11 ARG 12 1HH1 ARG 12 -8.454 13.810 2.990 104 HH12 ARG 12 2HH1 ARG 12 -8.850 15.501 3.039 105 HH21 ARG 12 1HH2 ARG 12 -6.845 16.205 5.831 106 HH22 ARG 12 2HH2 ARG 12 -7.940 16.857 4.649 107 H CYS 13 H CYS 13 -3.763 9.674 7.465 108 HA CYS 13 HA CYS 13 -3.809 7.262 5.755 109 HB2 CYS 13 2HB CYS 13 -1.899 7.198 7.269 110 HB3 CYS 13 3HB CYS 13 -2.916 7.605 8.650 111 H SER 14 H SER 14 -5.277 5.614 6.419 112 HA SER 14 HA SER 14 -7.738 6.582 7.751 113 HB2 SER 14 2HB SER 14 -8.788 4.616 6.560 114 HB3 SER 14 3HB SER 14 -8.081 5.801 5.461 115 HG SER 14 HG SER 14 -7.567 3.241 5.559 116 H GLY 15 H GLY 15 -5.709 3.659 7.427 117 HA2 GLY 15 2HA GLY 15 -5.340 3.103 10.145 118 HA3 GLY 15 3HA GLY 15 -6.772 2.218 9.614 119 H VAL 16 H VAL 16 -4.649 0.727 10.477 120 HA VAL 16 HA VAL 16 -3.129 -0.135 8.083 121 HB VAL 16 HB VAL 16 -1.569 -1.294 9.588 122 HG11 VAL 16 1HG1 VAL 16 -1.025 1.014 9.113 123 HG12 VAL 16 2HG1 VAL 16 -0.568 0.659 10.775 124 HG13 VAL 16 3HG1 VAL 16 -2.034 1.585 10.443 125 HG21 VAL 16 1HG2 VAL 16 -3.123 -1.970 11.378 126 HG22 VAL 16 2HG2 VAL 16 -3.241 -0.300 11.931 127 HG23 VAL 16 3HG2 VAL 16 -1.706 -1.159 12.045 128 H ILE 17 H ILE 17 -2.845 -2.422 7.719 129 HA ILE 17 HA ILE 17 -5.077 -4.107 8.688 130 HB ILE 17 HB ILE 17 -5.234 -5.164 6.396 131 HG12 ILE 17 2HG1 ILE 17 -4.505 -3.564 4.434 132 HG13 ILE 17 3HG1 ILE 17 -3.363 -2.891 5.578 133 HG21 ILE 17 1HG2 ILE 17 -6.887 -3.531 7.176 134 HG22 ILE 17 2HG2 ILE 17 -6.645 -3.395 5.434 135 HG23 ILE 17 3HG2 ILE 17 -5.912 -2.210 6.519 136 HD11 ILE 17 1HD1 ILE 17 -2.274 -5.074 5.761 137 HD12 ILE 17 2HD1 ILE 17 -2.359 -4.531 4.084 138 HD13 ILE 17 3HD1 ILE 17 -3.478 -5.759 4.667 139 H SER 18 H SER 18 -4.667 -6.291 8.913 140 HA SER 18 HA SER 18 -1.840 -7.185 8.787 141 HB2 SER 18 2HB SER 18 -2.546 -8.844 10.544 142 HB3 SER 18 3HB SER 18 -2.771 -7.171 11.059 143 HG SER 18 HG SER 18 -4.740 -7.787 11.457 144 H THR 19 H THR 19 -4.241 -7.230 6.779 145 HA THR 19 HA THR 19 -4.493 -10.093 6.212 146 HB THR 19 HB THR 19 -5.835 -7.661 4.930 147 HG1 THR 19 HG1 THR 19 -7.631 -9.024 6.227 148 HG21 THR 19 1HG2 THR 19 -6.557 -10.606 4.617 149 HG22 THR 19 2HG2 THR 19 -5.831 -9.588 3.369 150 HG23 THR 19 3HG2 THR 19 -7.458 -9.238 3.959 151 H VAL 20 H VAL 20 -3.652 -11.033 4.370 152 HA VAL 20 HA VAL 20 -1.630 -9.724 2.783 153 HB VAL 20 HB VAL 20 -3.072 -12.403 2.390 154 HG11 VAL 20 1HG1 VAL 20 -1.319 -12.966 0.719 155 HG12 VAL 20 2HG1 VAL 20 -0.696 -11.322 0.823 156 HG13 VAL 20 3HG1 VAL 20 -2.316 -11.608 0.194 157 HG21 VAL 20 1HG2 VAL 20 -1.634 -12.373 4.375 158 HG22 VAL 20 2HG2 VAL 20 -0.275 -11.794 3.414 159 HG23 VAL 20 3HG2 VAL 20 -0.931 -13.407 3.130 160 H VAL 21 H VAL 21 -2.218 -8.170 1.368 161 HA VAL 21 HA VAL 21 -4.889 -8.195 0.123 162 HB VAL 21 HB VAL 21 -2.777 -5.994 0.104 163 HG11 VAL 21 1HG1 VAL 21 -5.710 -5.869 -0.679 164 HG12 VAL 21 2HG1 VAL 21 -4.345 -5.826 -1.797 165 HG13 VAL 21 3HG1 VAL 21 -4.585 -4.511 -0.648 166 HG21 VAL 21 1HG2 VAL 21 -5.244 -6.277 1.852 167 HG22 VAL 21 2HG2 VAL 21 -4.163 -4.885 1.813 168 HG23 VAL 21 3HG2 VAL 21 -3.568 -6.441 2.386 169 H GLY 22 H GLY 22 -5.154 -8.798 -1.925 170 HA2 GLY 22 2HA GLY 22 -2.945 -9.916 -3.383 171 HA3 GLY 22 3HA GLY 22 -4.640 -9.961 -3.835 172 H LEU 23 H LEU 23 -2.152 -9.351 -5.372 173 HA LEU 23 HA LEU 23 -2.022 -6.712 -6.250 174 HB2 LEU 23 2HB LEU 23 -0.435 -8.577 -6.774 175 HB3 LEU 23 3HB LEU 23 -1.598 -9.245 -7.896 176 HG LEU 23 HG LEU 23 -0.525 -6.431 -8.341 177 HD11 LEU 23 1HD1 LEU 23 0.889 -8.976 -9.214 178 HD12 LEU 23 2HD1 LEU 23 1.484 -7.808 -8.030 179 HD13 LEU 23 3HD1 LEU 23 1.310 -7.336 -9.718 180 HD21 LEU 23 1HD2 LEU 23 -1.470 -8.567 -10.276 181 HD22 LEU 23 2HD2 LEU 23 -0.915 -6.950 -10.717 182 HD23 LEU 23 3HD2 LEU 23 -2.386 -7.147 -9.767 183 H ASN 24 H ASN 24 -4.298 -9.263 -7.054 184 HA ASN 24 HA ASN 24 -5.625 -8.195 -9.270 185 HB2 ASN 24 2HB ASN 24 -5.893 -10.528 -8.450 186 HB3 ASN 24 3HB ASN 24 -6.760 -9.936 -7.033 187 HD21 ASN 24 1HD2 ASN 24 -8.883 -9.133 -7.313 188 HD22 ASN 24 2HD2 ASN 24 -9.820 -9.515 -8.709 189 H ILE 25 H ILE 25 -5.965 -7.434 -5.837 190 HA ILE 25 HA ILE 25 -8.311 -5.706 -6.398 191 HB ILE 25 HB ILE 25 -8.959 -5.857 -4.059 192 HG12 ILE 25 2HG1 ILE 25 -6.592 -7.728 -3.578 193 HG13 ILE 25 3HG1 ILE 25 -6.631 -6.041 -3.090 194 HG21 ILE 25 1HG2 ILE 25 -9.581 -8.245 -3.930 195 HG22 ILE 25 2HG2 ILE 25 -8.391 -8.627 -5.174 196 HG23 ILE 25 3HG2 ILE 25 -9.782 -7.619 -5.572 197 HD11 ILE 25 1HD1 ILE 25 -8.479 -8.202 -2.074 198 HD12 ILE 25 2HD1 ILE 25 -8.496 -6.505 -1.587 199 HD13 ILE 25 3HD1 ILE 25 -7.095 -7.510 -1.224 200 H ILE 26 H ILE 26 -5.142 -5.249 -6.377 201 HA ILE 26 HA ILE 26 -5.087 -2.726 -4.869 202 HB ILE 26 HB ILE 26 -3.074 -3.931 -6.837 203 HG12 ILE 26 2HG1 ILE 26 -3.271 -5.236 -4.709 204 HG13 ILE 26 3HG1 ILE 26 -1.680 -4.518 -4.918 205 HG21 ILE 26 1HG2 ILE 26 -1.460 -2.220 -6.023 206 HG22 ILE 26 2HG2 ILE 26 -2.742 -1.469 -5.068 207 HG23 ILE 26 3HG2 ILE 26 -2.851 -1.492 -6.828 208 HD11 ILE 26 1HD1 ILE 26 -2.353 -4.353 -2.648 209 HD12 ILE 26 2HD1 ILE 26 -3.867 -3.582 -3.081 210 HD13 ILE 26 3HD1 ILE 26 -2.339 -2.731 -3.333 211 H ASP 27 H ASP 27 -5.732 -0.795 -5.720 212 HA ASP 27 HA ASP 27 -6.305 -0.619 -8.625 213 HB2 ASP 27 2HB ASP 27 -8.152 -0.090 -7.032 214 HB3 ASP 27 3HB ASP 27 -7.203 1.221 -6.357 215 H ARG 28 H ARG 28 -5.018 1.518 -6.011 216 HA ARG 28 HA ARG 28 -2.775 2.304 -7.733 217 HB2 ARG 28 2HB ARG 28 -4.609 4.353 -6.400 218 HB3 ARG 28 3HB ARG 28 -3.074 4.736 -7.146 219 HG2 ARG 28 2HG ARG 28 -5.551 3.721 -8.579 220 HG3 ARG 28 3HG ARG 28 -4.941 5.373 -8.597 221 HD2 ARG 28 2HD ARG 28 -2.847 4.515 -9.703 222 HD3 ARG 28 3HD ARG 28 -3.599 2.924 -9.798 223 HE ARG 28 HE ARG 28 -4.114 5.225 -11.464 224 HH11 ARG 28 1HH1 ARG 28 -5.439 2.150 -10.368 225 HH12 ARG 28 2HH1 ARG 28 -6.505 1.989 -11.727 226 HH21 ARG 28 1HH2 ARG 28 -5.480 4.998 -13.240 227 HH22 ARG 28 2HH2 ARG 28 -6.525 3.621 -13.369 228 H ILE 29 H ILE 29 -0.923 2.657 -6.596 229 HA ILE 29 HA ILE 29 -0.947 2.470 -3.641 230 HB ILE 29 HB ILE 29 1.262 1.890 -5.674 231 HG12 ILE 29 2HG1 ILE 29 -0.233 0.034 -3.781 232 HG13 ILE 29 3HG1 ILE 29 -0.488 0.139 -5.517 233 HG21 ILE 29 1HG2 ILE 29 2.688 1.171 -3.792 234 HG22 ILE 29 2HG2 ILE 29 1.454 1.692 -2.649 235 HG23 ILE 29 3HG2 ILE 29 2.276 2.883 -3.655 236 HD11 ILE 29 1HD1 ILE 29 2.014 -0.825 -4.133 237 HD12 ILE 29 2HD1 ILE 29 1.806 -0.663 -5.881 238 HD13 ILE 29 3HD1 ILE 29 0.809 -1.800 -4.975 239 H GLN 30 H GLN 30 -0.734 4.402 -2.665 240 HA GLN 30 HA GLN 30 1.023 6.521 -3.773 241 HB2 GLN 30 2HB GLN 30 -1.228 7.313 -3.258 242 HB3 GLN 30 3HB GLN 30 -1.214 6.527 -1.690 243 HG2 GLN 30 2HG GLN 30 -1.025 8.952 -1.463 244 HG3 GLN 30 3HG GLN 30 0.433 8.157 -0.868 245 HE21 GLN 30 1HE2 GLN 30 2.352 8.541 -1.886 246 HE22 GLN 30 2HE2 GLN 30 2.564 9.709 -3.133 247 H VAL 31 H VAL 31 2.918 6.975 -2.676 248 HA VAL 31 HA VAL 31 3.343 5.722 -0.015 249 HB VAL 31 HB VAL 31 4.579 4.316 -1.591 250 HG11 VAL 31 1HG1 VAL 31 6.023 6.815 -2.509 251 HG12 VAL 31 2HG1 VAL 31 5.014 5.740 -3.483 252 HG13 VAL 31 3HG1 VAL 31 6.555 5.170 -2.861 253 HG21 VAL 31 1HG2 VAL 31 6.798 4.383 -0.557 254 HG22 VAL 31 2HG2 VAL 31 5.546 4.687 0.648 255 HG23 VAL 31 3HG2 VAL 31 6.502 6.026 0.018 256 H THR 32 H THR 32 3.954 7.119 1.482 257 HA THR 32 HA THR 32 5.159 9.714 0.717 258 HB THR 32 HB THR 32 4.115 10.567 2.883 259 HG1 THR 32 HG1 THR 32 3.633 8.622 3.903 260 HG21 THR 32 1HG2 THR 32 1.845 10.891 1.976 261 HG22 THR 32 2HG2 THR 32 2.129 9.629 0.776 262 HG23 THR 32 3HG2 THR 32 3.059 11.129 0.719 263 HA PRO 33 HA PRO 33 8.560 7.677 3.143 264 HB2 PRO 33 2HB PRO 33 10.516 9.445 2.311 265 HB3 PRO 33 3HB PRO 33 9.955 8.099 1.300 266 HG2 PRO 33 2HG PRO 33 9.108 10.987 1.213 267 HG3 PRO 33 3HG PRO 33 9.579 9.919 -0.131 268 HD2 PRO 33 2HD PRO 33 6.990 10.386 0.419 269 HD3 PRO 33 3HD PRO 33 7.536 8.776 -0.115 270 HA PRO 34 HA PRO 34 8.825 10.357 6.820 271 HB2 PRO 34 2HB PRO 34 11.591 10.461 7.346 272 HB3 PRO 34 3HB PRO 34 10.509 9.155 7.861 273 HG2 PRO 34 2HG PRO 34 12.313 9.257 5.471 274 HG3 PRO 34 3HG PRO 34 12.005 7.906 6.586 275 HD2 PRO 34 2HD PRO 34 10.843 7.953 4.180 276 HD3 PRO 34 3HD PRO 34 9.934 7.391 5.603 277 H GLY 35 H GLY 35 8.166 12.296 6.115 278 HA2 GLY 35 2HA GLY 35 9.714 14.590 5.756 279 HA3 GLY 35 3HA GLY 35 9.378 13.947 4.140 280 H ASN 36 H ASN 36 8.311 16.446 4.788 281 HA ASN 36 HA ASN 36 6.409 17.705 4.985 282 HB2 ASN 36 2HB ASN 36 5.506 16.274 3.199 283 HB3 ASN 36 3HB ASN 36 5.025 15.042 4.359 284 HD21 ASN 36 1HD2 ASN 36 3.056 15.238 5.361 285 HD22 ASN 36 2HD2 ASN 36 1.919 16.493 5.030 286 H GLY 37 H GLY 37 7.639 16.234 7.282 287 HA2 GLY 37 2HA GLY 37 7.387 16.259 9.571 288 HA3 GLY 37 3HA GLY 37 5.753 16.868 9.375 289 H CYS 38 H CYS 38 6.226 14.104 7.490 290 HA CYS 38 HA CYS 38 4.600 12.451 9.255 291 HB2 CYS 38 2HB CYS 38 5.791 11.758 6.525 292 HB3 CYS 38 3HB CYS 38 4.425 10.979 7.330 293 HA PRO 39 HA PRO 39 8.034 10.685 11.349 294 HB2 PRO 39 2HB PRO 39 7.039 8.284 12.262 295 HB3 PRO 39 3HB PRO 39 6.505 9.860 12.884 296 HG2 PRO 39 2HG PRO 39 5.184 8.120 10.822 297 HG3 PRO 39 3HG PRO 39 4.455 8.967 12.205 298 HD2 PRO 39 2HD PRO 39 4.322 9.976 9.697 299 HD3 PRO 39 3HD PRO 39 4.462 11.036 11.117 300 H LYS 40 H LYS 40 6.562 8.149 9.288 301 HA LYS 40 HA LYS 40 9.230 7.157 8.495 302 HB2 LYS 40 2HB LYS 40 6.958 5.452 9.618 303 HB3 LYS 40 3HB LYS 40 8.362 4.785 8.802 304 HG2 LYS 40 2HG LYS 40 8.427 6.374 11.387 305 HG3 LYS 40 3HG LYS 40 8.548 4.617 11.254 306 HD2 LYS 40 2HD LYS 40 10.650 4.830 10.004 307 HD3 LYS 40 3HD LYS 40 10.526 6.591 10.046 308 HE2 LYS 40 2HE LYS 40 10.814 4.811 12.493 309 HE3 LYS 40 3HE LYS 40 12.127 5.691 11.716 310 HZ1 LYS 40 1HZ LYS 40 11.001 7.765 12.227 311 HZ2 LYS 40 2HZ LYS 40 11.275 6.874 13.636 312 HZ3 LYS 40 3HZ LYS 40 9.729 6.927 12.958 313 H THR 41 H THR 41 8.844 5.377 6.689 314 HA THR 41 HA THR 41 7.389 6.480 4.530 315 HB THR 41 HB THR 41 8.403 3.620 4.845 316 HG1 THR 41 HG1 THR 41 10.312 4.601 3.784 317 HG21 THR 41 1HG2 THR 41 8.683 3.668 2.379 318 HG22 THR 41 2HG2 THR 41 7.979 5.284 2.319 319 HG23 THR 41 3HG2 THR 41 6.992 3.910 2.824 320 H GLU 42 H GLU 42 5.243 6.553 4.563 321 HA GLU 42 HA GLU 42 3.567 4.354 5.614 322 HB2 GLU 42 2HB GLU 42 2.925 7.316 5.205 323 HB3 GLU 42 3HB GLU 42 1.807 6.117 5.849 324 HG2 GLU 42 2HG GLU 42 3.214 5.820 7.839 325 HG3 GLU 42 3HG GLU 42 4.429 6.903 7.174 326 H VAL 43 H VAL 43 2.822 3.115 3.980 327 HA VAL 43 HA VAL 43 2.557 4.203 1.262 328 HB VAL 43 HB VAL 43 2.422 1.282 2.123 329 HG11 VAL 43 1HG1 VAL 43 2.945 0.799 -0.236 330 HG12 VAL 43 2HG1 VAL 43 2.953 2.529 -0.589 331 HG13 VAL 43 3HG1 VAL 43 1.457 1.739 -0.087 332 HG21 VAL 43 1HG2 VAL 43 4.777 1.034 1.540 333 HG22 VAL 43 2HG2 VAL 43 4.613 2.262 2.793 334 HG23 VAL 43 3HG2 VAL 43 4.885 2.740 1.118 335 H VAL 44 H VAL 44 0.608 5.144 1.127 336 HA VAL 44 HA VAL 44 -1.810 4.024 2.362 337 HB VAL 44 HB VAL 44 -1.342 6.644 0.836 338 HG11 VAL 44 1HG1 VAL 44 -3.749 5.827 2.492 339 HG12 VAL 44 2HG1 VAL 44 -3.702 5.958 0.732 340 HG13 VAL 44 3HG1 VAL 44 -3.499 7.399 1.730 341 HG21 VAL 44 1HG2 VAL 44 -1.528 6.204 3.840 342 HG22 VAL 44 2HG2 VAL 44 -1.363 7.764 3.028 343 HG23 VAL 44 3HG2 VAL 44 -0.058 6.580 2.938 344 H ILE 45 H ILE 45 -2.886 2.513 1.110 345 HA ILE 45 HA ILE 45 -2.664 2.705 -1.853 346 HB ILE 45 HB ILE 45 -2.992 0.189 -0.160 347 HG12 ILE 45 2HG1 ILE 45 -0.564 1.184 -1.700 348 HG13 ILE 45 3HG1 ILE 45 -0.737 1.238 0.047 349 HG21 ILE 45 1HG2 ILE 45 -2.595 0.463 -3.157 350 HG22 ILE 45 2HG2 ILE 45 -4.081 -0.050 -2.353 351 HG23 ILE 45 3HG2 ILE 45 -2.635 -1.058 -2.264 352 HD11 ILE 45 1HD1 ILE 45 -0.807 -1.223 0.086 353 HD12 ILE 45 2HD1 ILE 45 0.685 -0.566 -0.574 354 HD13 ILE 45 3HD1 ILE 45 -0.529 -1.239 -1.661 355 H TRP 46 H TRP 46 -4.524 3.048 -2.901 356 HA TRP 46 HA TRP 46 -7.155 2.529 -1.718 357 HB2 TRP 46 2HB TRP 46 -6.299 3.650 -4.427 358 HB3 TRP 46 3HB TRP 46 -7.973 3.455 -3.937 359 HD1 TRP 46 HD1 TRP 46 -4.812 5.487 -2.890 360 HE1 TRP 46 HE1 TRP 46 -5.608 7.699 -1.844 361 HE3 TRP 46 HE3 TRP 46 -9.882 4.665 -2.957 362 HZ2 TRP 46 HZ2 TRP 46 -8.043 8.948 -1.172 363 HZ3 TRP 46 HZ3 TRP 46 -11.372 6.432 -2.103 364 HH2 TRP 46 HH2 TRP 46 -10.468 8.529 -1.227 365 H THR 47 H THR 47 -8.053 0.525 -1.958 366 HA THR 47 HA THR 47 -7.036 -1.412 -3.894 367 HB THR 47 HB THR 47 -8.731 -2.942 -2.847 368 HG1 THR 47 HG1 THR 47 -9.262 -1.188 -0.781 369 HG21 THR 47 1HG2 THR 47 -6.467 -2.793 -1.863 370 HG22 THR 47 2HG2 THR 47 -7.684 -3.076 -0.619 371 HG23 THR 47 3HG2 THR 47 -6.998 -1.463 -0.826 372 H LYS 48 H LYS 48 -8.815 -2.725 -5.113 373 HA LYS 48 HA LYS 48 -10.271 -1.073 -6.916 374 HB2 LYS 48 2HB LYS 48 -10.321 -4.080 -6.419 375 HB3 LYS 48 3HB LYS 48 -11.200 -3.305 -7.730 376 HG2 LYS 48 2HG LYS 48 -8.180 -3.238 -7.392 377 HG3 LYS 48 3HG LYS 48 -9.055 -4.332 -8.462 378 HD2 LYS 48 2HD LYS 48 -8.962 -1.302 -8.675 379 HD3 LYS 48 3HD LYS 48 -8.133 -2.452 -9.722 380 HE2 LYS 48 2HE LYS 48 -11.143 -2.102 -9.492 381 HE3 LYS 48 3HE LYS 48 -10.124 -1.574 -10.827 382 HZ1 LYS 48 1HZ LYS 48 -9.580 -3.871 -11.287 383 HZ2 LYS 48 2HZ LYS 48 -11.252 -3.631 -11.339 384 HZ3 LYS 48 3HZ LYS 48 -10.553 -4.393 -10.006 385 H MET 49 H MET 49 -11.047 -2.536 -3.892 386 HA MET 49 HA MET 49 -13.909 -2.224 -3.949 387 HB2 MET 49 2HB MET 49 -11.966 -2.531 -1.612 388 HB3 MET 49 3HB MET 49 -13.713 -2.682 -1.493 389 HG2 MET 49 2HG MET 49 -13.672 -4.703 -2.833 390 HG3 MET 49 3HG MET 49 -11.951 -4.512 -3.141 391 HE1 MET 49 1HE MET 49 -10.940 -3.568 -0.135 392 HE2 MET 49 2HE MET 49 -10.078 -4.664 -1.217 393 HE3 MET 49 3HE MET 49 -10.420 -5.151 0.442 394 H LYS 50 H LYS 50 -11.450 -0.036 -4.011 395 HA LYS 50 HA LYS 50 -10.977 2.065 -3.464 396 HB2 LYS 50 2HB LYS 50 -13.987 2.383 -3.119 397 HB3 LYS 50 3HB LYS 50 -12.834 3.702 -3.286 398 HG2 LYS 50 2HG LYS 50 -13.527 1.630 -5.385 399 HG3 LYS 50 3HG LYS 50 -13.963 3.335 -5.408 400 HD2 LYS 50 2HD LYS 50 -11.130 2.232 -5.591 401 HD3 LYS 50 3HD LYS 50 -12.087 2.815 -6.949 402 HE2 LYS 50 2HE LYS 50 -11.142 4.493 -4.601 403 HE3 LYS 50 3HE LYS 50 -10.441 4.486 -6.219 404 HZ1 LYS 50 1HZ LYS 50 -11.894 6.356 -5.964 405 HZ2 LYS 50 2HZ LYS 50 -13.183 5.370 -5.499 406 HZ3 LYS 50 3HZ LYS 50 -12.584 5.278 -7.071 407 H LYS 51 H LYS 51 -11.132 -0.011 -1.408 408 HA LYS 51 HA LYS 51 -11.678 1.359 1.102 409 HB2 LYS 51 2HB LYS 51 -12.101 -1.153 0.556 410 HB3 LYS 51 3HB LYS 51 -10.368 -1.376 0.659 411 HG2 LYS 51 2HG LYS 51 -12.072 -0.365 2.955 412 HG3 LYS 51 3HG LYS 51 -11.700 -2.066 2.692 413 HD2 LYS 51 2HD LYS 51 -9.266 -1.530 2.922 414 HD3 LYS 51 3HD LYS 51 -9.696 0.147 3.275 415 HE2 LYS 51 2HE LYS 51 -10.445 -2.293 4.923 416 HE3 LYS 51 3HE LYS 51 -9.262 -1.060 5.352 417 HZ1 LYS 51 1HZ LYS 51 -12.189 -0.632 5.052 418 HZ2 LYS 51 2HZ LYS 51 -11.066 0.568 5.436 419 HZ3 LYS 51 3HZ LYS 51 -11.328 -0.704 6.508 420 H VAL 52 H VAL 52 -10.150 2.517 2.117 421 HA VAL 52 HA VAL 52 -7.483 2.797 0.959 422 HB VAL 52 HB VAL 52 -8.780 4.425 3.207 423 HG11 VAL 52 1HG1 VAL 52 -6.313 4.546 3.201 424 HG12 VAL 52 2HG1 VAL 52 -7.025 6.091 2.726 425 HG13 VAL 52 3HG1 VAL 52 -6.335 5.024 1.500 426 HG21 VAL 52 1HG2 VAL 52 -8.624 5.065 0.237 427 HG22 VAL 52 2HG2 VAL 52 -9.198 6.165 1.492 428 HG23 VAL 52 3HG2 VAL 52 -10.089 4.686 1.145 429 H ILE 53 H ILE 53 -5.702 1.999 1.912 430 HA ILE 53 HA ILE 53 -5.781 1.023 4.709 431 HB ILE 53 HB ILE 53 -4.401 -0.946 4.109 432 HG12 ILE 53 2HG1 ILE 53 -4.849 -0.163 1.188 433 HG13 ILE 53 3HG1 ILE 53 -3.322 -0.034 2.048 434 HG21 ILE 53 1HG2 ILE 53 -6.848 -1.215 4.221 435 HG22 ILE 53 2HG2 ILE 53 -6.134 -2.320 3.050 436 HG23 ILE 53 3HG2 ILE 53 -6.969 -0.867 2.493 437 HD11 ILE 53 1HD1 ILE 53 -3.257 -2.470 2.289 438 HD12 ILE 53 2HD1 ILE 53 -3.340 -1.966 0.604 439 HD13 ILE 53 3HD1 ILE 53 -4.780 -2.597 1.402 440 H CYS 54 H CYS 54 -3.709 0.990 5.734 441 HA CYS 54 HA CYS 54 -1.533 2.488 4.390 442 HB2 CYS 54 2HB CYS 54 -2.245 2.625 7.352 443 HB3 CYS 54 3HB CYS 54 -0.956 3.512 6.547 444 H VAL 55 H VAL 55 0.096 1.045 4.080 445 HA VAL 55 HA VAL 55 0.819 -0.763 6.317 446 HB VAL 55 HB VAL 55 1.838 -2.342 4.684 447 HG11 VAL 55 1HG1 VAL 55 -1.115 -1.918 4.131 448 HG12 VAL 55 2HG1 VAL 55 -0.458 -2.680 5.579 449 HG13 VAL 55 3HG1 VAL 55 -0.203 -3.429 4.010 450 HG21 VAL 55 1HG2 VAL 55 2.214 -0.811 2.800 451 HG22 VAL 55 2HG2 VAL 55 0.476 -0.684 2.527 452 HG23 VAL 55 3HG2 VAL 55 1.301 -2.227 2.288 453 H ASN 56 H ASN 56 3.050 -1.073 6.654 454 HA ASN 56 HA ASN 56 4.858 1.033 5.687 455 HB2 ASN 56 2HB ASN 56 5.104 -1.073 7.882 456 HB3 ASN 56 3HB ASN 56 6.411 0.018 7.445 457 HD21 ASN 56 1HD2 ASN 56 4.865 2.412 7.046 458 HD22 ASN 56 2HD2 ASN 56 4.260 2.886 8.592 459 HA PRO 57 HA PRO 57 7.123 -1.807 2.921 460 HB2 PRO 57 2HB PRO 57 9.790 -1.340 3.580 461 HB3 PRO 57 3HB PRO 57 8.819 -0.299 2.522 462 HG2 PRO 57 2HG PRO 57 9.418 0.045 5.445 463 HG3 PRO 57 3HG PRO 57 9.424 1.258 4.145 464 HD2 PRO 57 2HD PRO 57 7.345 1.084 5.835 465 HD3 PRO 57 3HD PRO 57 7.087 1.430 4.107 466 H ARG 58 H ARG 58 7.088 -2.260 6.280 467 HA ARG 58 HA ARG 58 8.512 -4.707 6.484 468 HB2 ARG 58 2HB ARG 58 7.817 -3.308 8.438 469 HB3 ARG 58 3HB ARG 58 6.137 -3.725 8.134 470 HG2 ARG 58 2HG ARG 58 7.055 -5.017 10.018 471 HG3 ARG 58 3HG ARG 58 6.613 -6.093 8.693 472 HD2 ARG 58 2HD ARG 58 8.961 -6.320 8.045 473 HD3 ARG 58 3HD ARG 58 9.450 -5.128 9.252 474 HE ARG 58 HE ARG 58 8.388 -6.908 10.858 475 HH11 ARG 58 1HH1 ARG 58 10.365 -7.588 8.012 476 HH12 ARG 58 2HH1 ARG 58 11.006 -9.064 8.663 477 HH21 ARG 58 1HH2 ARG 58 9.285 -8.821 11.726 478 HH22 ARG 58 2HH2 ARG 58 10.393 -9.765 10.778 479 H ALA 59 H ALA 59 5.367 -3.882 5.190 480 HA ALA 59 HA ALA 59 4.099 -6.407 5.277 481 HB1 ALA 59 1HB ALA 59 2.597 -5.482 3.533 482 HB2 ALA 59 2HB ALA 59 3.701 -4.123 3.300 483 HB3 ALA 59 3HB ALA 59 2.860 -4.323 4.837 484 H LYS 60 H LYS 60 4.780 -8.230 4.319 485 HA LYS 60 HA LYS 60 6.955 -8.286 2.469 486 HB2 LYS 60 2HB LYS 60 6.531 -10.015 4.267 487 HB3 LYS 60 3HB LYS 60 5.198 -10.628 3.299 488 HG2 LYS 60 2HG LYS 60 6.819 -11.128 1.457 489 HG3 LYS 60 3HG LYS 60 8.140 -10.612 2.502 490 HD2 LYS 60 2HD LYS 60 6.247 -12.916 3.123 491 HD3 LYS 60 3HD LYS 60 7.818 -13.111 2.359 492 HE2 LYS 60 2HE LYS 60 8.094 -13.670 4.659 493 HE3 LYS 60 3HE LYS 60 8.847 -12.094 4.444 494 HZ1 LYS 60 1HZ LYS 60 6.106 -12.498 5.535 495 HZ2 LYS 60 2HZ LYS 60 6.975 -11.050 5.486 496 HZ3 LYS 60 3HZ LYS 60 7.491 -12.305 6.481 497 H TRP 61 H TRP 61 3.449 -8.643 2.131 498 HA TRP 61 HA TRP 61 3.422 -9.753 -0.484 499 HB2 TRP 61 2HB TRP 61 1.038 -9.206 -0.535 500 HB3 TRP 61 3HB TRP 61 1.468 -9.833 1.048 501 HD1 TRP 61 HD1 TRP 61 0.983 -8.285 3.135 502 HE1 TRP 61 HE1 TRP 61 -0.159 -6.002 3.436 503 HE3 TRP 61 HE3 TRP 61 0.703 -6.851 -1.769 504 HZ2 TRP 61 HZ2 TRP 61 -1.065 -3.882 1.808 505 HZ3 TRP 61 HZ3 TRP 61 -0.315 -4.686 -2.312 506 HH2 TRP 61 HH2 TRP 61 -1.180 -3.230 -0.552 507 H LEU 62 H LEU 62 3.885 -6.527 0.685 508 HA LEU 62 HA LEU 62 3.110 -5.024 -1.586 509 HB2 LEU 62 2HB LEU 62 3.260 -4.066 0.656 510 HB3 LEU 62 3HB LEU 62 4.986 -4.380 0.709 511 HG LEU 62 HG LEU 62 5.301 -2.720 -1.154 512 HD11 LEU 62 1HD1 LEU 62 3.140 -2.778 -2.228 513 HD12 LEU 62 2HD1 LEU 62 3.485 -1.137 -1.689 514 HD13 LEU 62 3HD1 LEU 62 2.358 -2.145 -0.778 515 HD21 LEU 62 1HD2 LEU 62 5.012 -0.719 0.199 516 HD22 LEU 62 2HD2 LEU 62 5.665 -2.045 1.153 517 HD23 LEU 62 3HD2 LEU 62 3.964 -1.602 1.311 518 H GLN 63 H GLN 63 6.171 -6.593 -0.673 519 HA GLN 63 HA GLN 63 7.842 -5.272 -2.524 520 HB2 GLN 63 2HB GLN 63 9.544 -6.810 -1.959 521 HB3 GLN 63 3HB GLN 63 8.569 -6.688 -0.508 522 HG2 GLN 63 2HG GLN 63 8.954 -8.964 -0.583 523 HG3 GLN 63 3HG GLN 63 7.413 -8.873 -1.432 524 HE21 GLN 63 1HE2 GLN 63 7.682 -10.725 -2.638 525 HE22 GLN 63 2HE2 GLN 63 8.878 -10.915 -3.863 526 H ARG 64 H ARG 64 5.466 -7.725 -2.961 527 HA ARG 64 HA ARG 64 6.401 -8.899 -5.410 528 HB2 ARG 64 2HB ARG 64 3.572 -8.733 -4.259 529 HB3 ARG 64 3HB ARG 64 4.045 -9.746 -5.619 530 HG2 ARG 64 2HG ARG 64 5.487 -11.084 -4.156 531 HG3 ARG 64 3HG ARG 64 5.114 -10.039 -2.790 532 HD2 ARG 64 2HD ARG 64 2.717 -10.706 -2.967 533 HD3 ARG 64 3HD ARG 64 3.141 -11.813 -4.275 534 HE ARG 64 HE ARG 64 4.352 -12.078 -1.597 535 HH11 ARG 64 1HH1 ARG 64 2.466 -13.527 -4.189 536 HH12 ARG 64 2HH1 ARG 64 2.477 -15.110 -3.478 537 HH21 ARG 64 1HH2 ARG 64 4.374 -14.149 -0.670 538 HH22 ARG 64 2HH2 ARG 64 3.570 -15.469 -1.460 539 H LEU 65 H LEU 65 4.259 -6.232 -4.556 540 HA LEU 65 HA LEU 65 3.399 -5.512 -7.181 541 HB2 LEU 65 2HB LEU 65 3.329 -4.212 -4.455 542 HB3 LEU 65 3HB LEU 65 2.985 -3.221 -5.853 543 HG LEU 65 HG LEU 65 0.936 -3.999 -4.708 544 HD11 LEU 65 1HD1 LEU 65 -0.340 -4.674 -6.653 545 HD12 LEU 65 2HD1 LEU 65 1.128 -5.117 -7.521 546 HD13 LEU 65 3HD1 LEU 65 0.827 -3.431 -7.096 547 HD21 LEU 65 1HD2 LEU 65 1.662 -6.189 -3.887 548 HD22 LEU 65 2HD2 LEU 65 1.711 -6.819 -5.536 549 HD23 LEU 65 3HD2 LEU 65 0.174 -6.328 -4.820 550 H LEU 66 H LEU 66 5.949 -4.419 -5.003 551 HA LEU 66 HA LEU 66 7.010 -2.374 -6.694 552 HB2 LEU 66 2HB LEU 66 8.282 -3.809 -4.336 553 HB3 LEU 66 3HB LEU 66 8.881 -2.324 -5.061 554 HG LEU 66 HG LEU 66 6.194 -2.615 -3.649 555 HD11 LEU 66 1HD1 LEU 66 8.027 -2.765 -2.050 556 HD12 LEU 66 2HD1 LEU 66 7.156 -1.247 -1.857 557 HD13 LEU 66 3HD1 LEU 66 8.724 -1.265 -2.667 558 HD21 LEU 66 1HD2 LEU 66 6.078 -0.144 -3.777 559 HD22 LEU 66 2HD2 LEU 66 6.044 -0.903 -5.363 560 HD23 LEU 66 3HD2 LEU 66 7.527 -0.137 -4.787 561 H ARG 67 H ARG 67 7.567 -5.826 -6.448 562 HA ARG 67 HA ARG 67 9.920 -5.839 -8.167 563 HB2 ARG 67 2HB ARG 67 9.402 -7.578 -6.331 564 HB3 ARG 67 3HB ARG 67 8.175 -8.238 -7.395 565 HG2 ARG 67 2HG ARG 67 11.064 -8.023 -8.287 566 HG3 ARG 67 3HG ARG 67 10.514 -9.381 -7.315 567 HD2 ARG 67 2HD ARG 67 9.077 -10.175 -9.049 568 HD3 ARG 67 3HD ARG 67 9.178 -8.662 -9.948 569 HE ARG 67 HE ARG 67 11.167 -10.813 -9.859 570 HH11 ARG 67 1HH1 ARG 67 10.366 -7.574 -10.996 571 HH12 ARG 67 2HH1 ARG 67 11.605 -7.572 -12.208 572 HH21 ARG 67 1HH2 ARG 67 12.760 -10.791 -11.505 573 HH22 ARG 67 2HH2 ARG 67 12.952 -9.380 -12.494 574 H HIS 68 H HIS 68 6.436 -6.089 -8.483 575 HA HIS 68 HA HIS 68 6.288 -7.198 -11.092 576 HB2 HIS 68 2HB HIS 68 4.365 -7.058 -9.452 577 HB3 HIS 68 3HB HIS 68 4.229 -5.341 -9.800 578 HD1 HIS 68 HD1 HIS 68 3.072 -4.660 -11.987 579 HD2 HIS 68 HD2 HIS 68 3.479 -8.777 -11.559 580 HE1 HIS 68 HE1 HIS 68 1.682 -5.679 -13.813 581 HE2 HIS 68 HE2 HIS 68 2.045 -8.151 -13.607 582 H VAL 69 H VAL 69 6.836 -3.921 -9.964 583 HA VAL 69 HA VAL 69 6.635 -2.749 -12.663 584 HB VAL 69 HB VAL 69 7.039 -0.565 -11.606 585 HG11 VAL 69 1HG1 VAL 69 4.731 -1.403 -11.727 586 HG12 VAL 69 2HG1 VAL 69 4.966 -0.374 -10.315 587 HG13 VAL 69 3HG1 VAL 69 4.894 -2.128 -10.124 588 HG21 VAL 69 1HG2 VAL 69 8.562 -1.238 -9.792 589 HG22 VAL 69 2HG2 VAL 69 7.232 -2.026 -8.949 590 HG23 VAL 69 3HG2 VAL 69 7.218 -0.280 -9.168 591 H GLN 70 H GLN 70 8.952 -4.378 -10.947 592 HA GLN 70 HA GLN 70 11.305 -2.973 -12.009 593 HB2 GLN 70 2HB GLN 70 11.299 -3.920 -9.688 594 HB3 GLN 70 3HB GLN 70 11.083 -5.534 -10.354 595 HG2 GLN 70 2HG GLN 70 13.418 -5.105 -9.674 596 HG3 GLN 70 3HG GLN 70 13.284 -5.447 -11.398 597 HE21 GLN 70 1HE2 GLN 70 15.213 -4.422 -11.942 598 HE22 GLN 70 2HE2 GLN 70 15.448 -2.712 -11.832 599 H SER 71 H SER 71 12.865 -4.095 -13.389 600 HA SER 71 HA SER 71 11.863 -5.441 -15.628 601 HB2 SER 71 2HB SER 71 14.734 -5.351 -14.602 602 HB3 SER 71 3HB SER 71 14.240 -5.730 -16.254 603 HG SER 71 HG SER 71 14.853 -3.547 -16.037 604 H LYS 72 H LYS 72 11.513 -7.557 -16.113 605 HA LYS 72 HA LYS 72 12.517 -9.708 -14.305 606 HB2 LYS 72 2HB LYS 72 10.639 -11.094 -15.068 607 HB3 LYS 72 3HB LYS 72 10.031 -9.563 -14.452 608 HG2 LYS 72 2HG LYS 72 9.722 -8.734 -16.752 609 HG3 LYS 72 3HG LYS 72 10.386 -10.239 -17.390 610 HD2 LYS 72 2HD LYS 72 7.929 -10.244 -17.530 611 HD3 LYS 72 3HD LYS 72 8.489 -11.502 -16.428 612 HE2 LYS 72 2HE LYS 72 7.939 -10.068 -14.506 613 HE3 LYS 72 3HE LYS 72 7.426 -8.784 -15.598 614 HZ1 LYS 72 1HZ LYS 72 5.675 -10.230 -16.417 615 HZ2 LYS 72 2HZ LYS 72 5.543 -10.012 -14.744 616 HZ3 LYS 72 3HZ LYS 72 6.156 -11.458 -15.374 617 H SER 73 H SER 73 13.356 -8.258 -17.092 618 HA SER 73 HA SER 73 13.846 -10.502 -18.817 619 HB2 SER 73 2HB SER 73 14.961 -7.666 -18.883 620 HB3 SER 73 3HB SER 73 15.141 -8.858 -20.176 621 HG SER 73 HG SER 73 12.946 -8.809 -20.531 622 H LEU 74 H LEU 74 14.968 -12.002 -17.544 623 HA LEU 74 HA LEU 74 17.712 -11.360 -16.697 624 HB2 LEU 74 2HB LEU 74 15.898 -13.740 -16.206 625 HB3 LEU 74 3HB LEU 74 17.631 -13.893 -15.991 626 HG LEU 74 HG LEU 74 17.549 -12.071 -14.255 627 HD11 LEU 74 1HD1 LEU 74 14.552 -12.279 -14.541 628 HD12 LEU 74 2HD1 LEU 74 15.551 -10.882 -14.941 629 HD13 LEU 74 3HD1 LEU 74 15.409 -11.409 -13.265 630 HD21 LEU 74 1HD2 LEU 74 17.564 -14.413 -13.577 631 HD22 LEU 74 2HD2 LEU 74 15.804 -14.485 -13.696 632 HD23 LEU 74 3HD2 LEU 74 16.565 -13.463 -12.474 633 H SER 75 H SER 75 19.506 -12.448 -17.549 634 HA SER 75 HA SER 75 19.369 -13.046 -20.382 635 HB2 SER 75 2HB SER 75 21.914 -13.176 -20.109 636 HB3 SER 75 3HB SER 75 21.199 -11.636 -19.638 637 HG SER 75 HG SER 75 21.566 -13.642 -17.703 638 H SER 76 H SER 76 19.964 -15.012 -21.357 639 HA SER 76 HA SER 76 19.196 -17.392 -20.037 640 HB2 SER 76 2HB SER 76 19.967 -18.528 -22.167 641 HB3 SER 76 3HB SER 76 18.866 -17.179 -22.442 642 HG SER 76 HG SER 76 21.639 -17.327 -22.905 643 H THR 77 H THR 77 20.397 -18.274 -18.429 644 HA THR 77 HA THR 77 23.210 -18.032 -18.118 645 HB THR 77 HB THR 77 21.384 -20.102 -16.799 646 HG1 THR 77 HG1 THR 77 21.532 -17.368 -16.513 647 HG21 THR 77 1HG2 THR 77 24.004 -18.866 -15.841 648 HG22 THR 77 2HG2 THR 77 23.806 -20.521 -16.427 649 HG23 THR 77 3HG2 THR 77 23.011 -20.011 -14.937 650 HA PRO 78 HA PRO 78 23.996 -21.311 -21.210 651 HB2 PRO 78 2HB PRO 78 26.700 -21.084 -21.393 652 HB3 PRO 78 3HB PRO 78 25.625 -19.827 -22.044 653 HG2 PRO 78 2HG PRO 78 27.102 -19.862 -19.429 654 HG3 PRO 78 3HG PRO 78 26.956 -18.545 -20.615 655 HD2 PRO 78 2HD PRO 78 25.402 -18.674 -18.367 656 HD3 PRO 78 3HD PRO 78 24.841 -17.929 -19.881 657 H GLN 79 H GLN 79 25.541 -23.254 -21.343 658 HA GLN 79 HA GLN 79 25.041 -24.925 -19.121 659 HB2 GLN 79 2HB GLN 79 26.723 -25.303 -21.624 660 HB3 GLN 79 3HB GLN 79 26.637 -26.549 -20.384 661 HG2 GLN 79 2HG GLN 79 24.194 -26.704 -20.700 662 HG3 GLN 79 3HG GLN 79 24.265 -25.466 -21.947 663 HE21 GLN 79 1HE2 GLN 79 25.070 -28.761 -21.127 664 HE22 GLN 79 2HE2 GLN 79 25.335 -29.304 -22.746 665 H ALA 80 H ALA 80 26.262 -25.582 -17.466 666 HA ALA 80 HA ALA 80 28.557 -23.968 -16.700 667 HB1 ALA 80 1HB ALA 80 28.266 -25.048 -14.498 668 HB2 ALA 80 2HB ALA 80 27.058 -26.143 -15.177 669 HB3 ALA 80 3HB ALA 80 26.732 -24.412 -15.095 670 HA PRO 81 HA PRO 81 31.596 -27.096 -17.957 671 HB2 PRO 81 2HB PRO 81 33.710 -26.386 -16.297 672 HB3 PRO 81 3HB PRO 81 33.273 -25.484 -17.763 673 HG2 PRO 81 2HG PRO 81 32.576 -24.876 -14.909 674 HG3 PRO 81 3HG PRO 81 33.126 -23.768 -16.188 675 HD2 PRO 81 2HD PRO 81 30.512 -23.948 -15.506 676 HD3 PRO 81 3HD PRO 81 31.010 -23.657 -17.189 677 H VAL 82 H VAL 82 30.868 -29.064 -17.340 678 HA VAL 82 HA VAL 82 30.027 -29.870 -14.790 679 HB VAL 82 HB VAL 82 30.740 -31.493 -17.270 680 HG11 VAL 82 1HG1 VAL 82 29.741 -33.502 -16.223 681 HG12 VAL 82 2HG1 VAL 82 29.575 -32.630 -14.698 682 HG13 VAL 82 3HG1 VAL 82 31.180 -32.980 -15.341 683 HG21 VAL 82 1HG2 VAL 82 28.683 -30.136 -17.410 684 HG22 VAL 82 2HG2 VAL 82 28.079 -30.877 -15.929 685 HG23 VAL 82 3HG2 VAL 82 28.281 -31.855 -17.383 686 H SER 83 H SER 83 31.266 -30.019 -13.041 687 HA SER 83 HA SER 83 33.968 -31.212 -13.156 688 HB2 SER 83 2HB SER 83 34.172 -28.746 -13.036 689 HB3 SER 83 3HB SER 83 33.108 -28.708 -11.632 690 HG SER 83 HG SER 83 34.686 -29.474 -10.386 691 H LYS 84 H LYS 84 34.125 -32.862 -11.721 692 HA LYS 84 HA LYS 84 32.036 -33.585 -9.959 693 HB2 LYS 84 2HB LYS 84 33.492 -35.396 -9.161 694 HB3 LYS 84 3HB LYS 84 33.502 -35.306 -10.910 695 HG2 LYS 84 2HG LYS 84 35.721 -34.082 -9.264 696 HG3 LYS 84 3HG LYS 84 35.722 -35.788 -9.679 697 HD2 LYS 84 2HD LYS 84 35.586 -33.599 -11.783 698 HD3 LYS 84 3HD LYS 84 37.108 -34.234 -11.164 699 HE2 LYS 84 2HE LYS 84 36.655 -35.359 -13.226 700 HE3 LYS 84 3HE LYS 84 36.381 -36.527 -11.937 701 HZ1 LYS 84 1HZ LYS 84 34.674 -36.551 -13.711 702 HZ2 LYS 84 2HZ LYS 84 34.204 -34.990 -13.270 703 HZ3 LYS 84 3HZ LYS 84 34.028 -36.271 -12.183 704 H ARG 85 H ARG 85 31.685 -33.150 -7.856 705 HA ARG 85 HA ARG 85 33.622 -31.453 -6.395 706 HB2 ARG 85 2HB ARG 85 31.445 -30.364 -6.833 707 HB3 ARG 85 3HB ARG 85 30.593 -31.695 -6.060 708 HG2 ARG 85 2HG ARG 85 30.698 -29.760 -4.566 709 HG3 ARG 85 3HG ARG 85 31.623 -31.097 -3.886 710 HD2 ARG 85 2HD ARG 85 33.713 -30.026 -4.701 711 HD3 ARG 85 3HD ARG 85 32.762 -28.678 -5.334 712 HE ARG 85 HE ARG 85 32.030 -28.724 -2.747 713 HH11 ARG 85 1HH1 ARG 85 35.208 -28.703 -4.264 714 HH12 ARG 85 2HH1 ARG 85 35.972 -27.874 -2.945 715 HH21 ARG 85 1HH2 ARG 85 33.041 -27.649 -1.006 716 HH22 ARG 85 2HH2 ARG 85 34.735 -27.273 -1.090 717 H ARG 86 H ARG 86 34.865 -32.946 -5.312 718 HA ARG 86 HA ARG 86 33.694 -35.035 -3.682 719 HB2 ARG 86 2HB ARG 86 35.894 -35.430 -4.643 720 HB3 ARG 86 3HB ARG 86 36.556 -33.992 -3.870 721 HG2 ARG 86 2HG ARG 86 36.213 -35.043 -1.647 722 HG3 ARG 86 3HG ARG 86 35.538 -36.472 -2.431 723 HD2 ARG 86 2HD ARG 86 38.365 -35.447 -2.832 724 HD3 ARG 86 3HD ARG 86 37.919 -36.764 -1.746 725 HE ARG 86 HE ARG 86 36.956 -37.728 -4.007 726 HH11 ARG 86 1HH1 ARG 86 40.074 -36.135 -3.532 727 HH12 ARG 86 2HH1 ARG 86 40.847 -37.007 -4.821 728 HH21 ARG 86 1HH2 ARG 86 37.973 -38.856 -5.685 729 HH22 ARG 86 2HH2 ARG 86 39.647 -38.557 -6.045 730 H ALA 87 H ALA 87 32.503 -34.349 -2.018 731 HA ALA 87 HA ALA 87 33.142 -32.014 -0.418 732 HB1 ALA 87 1HB ALA 87 30.795 -32.619 -0.831 733 HB2 ALA 87 2HB ALA 87 31.152 -32.653 0.896 734 HB3 ALA 87 3HB ALA 87 31.028 -34.165 -0.011 735 H ALA 88 H ALA 88 33.399 -32.178 1.928 736 HA ALA 88 HA ALA 88 34.520 -34.647 3.030 737 HB1 ALA 88 1HB ALA 88 36.578 -33.541 3.804 738 HB2 ALA 88 2HB ALA 88 36.112 -32.050 2.979 739 HB3 ALA 88 3HB ALA 88 36.474 -33.502 2.042 Start of MODEL 7 1 H1 ILE 1 1H ILE 1 -13.159 -2.164 9.773 2 H2 ILE 1 2H ILE 1 -12.297 -3.129 10.863 3 H3 ILE 1 3H ILE 1 -11.508 -2.447 9.534 4 HA ILE 1 HA ILE 1 -12.747 -0.929 11.754 5 HB ILE 1 HB ILE 1 -10.406 -0.306 12.415 6 HG12 ILE 1 2HG1 ILE 1 -9.503 -2.506 10.484 7 HG13 ILE 1 3HG1 ILE 1 -9.295 -0.785 10.208 8 HG21 ILE 1 1HG2 ILE 1 -11.549 -2.066 13.670 9 HG22 ILE 1 2HG2 ILE 1 -9.827 -2.421 13.561 10 HG23 ILE 1 3HG2 ILE 1 -10.969 -3.291 12.536 11 HD11 ILE 1 1HD1 ILE 1 -7.230 -1.792 10.924 12 HD12 ILE 1 2HD1 ILE 1 -7.992 -2.412 12.387 13 HD13 ILE 1 3HD1 ILE 1 -7.799 -0.672 12.162 14 H LEU 2 H LEU 2 -12.348 1.330 11.684 15 HA LEU 2 HA LEU 2 -11.123 2.594 9.364 16 HB2 LEU 2 2HB LEU 2 -13.641 2.018 8.856 17 HB3 LEU 2 3HB LEU 2 -14.033 3.278 10.002 18 HG LEU 2 HG LEU 2 -14.205 4.045 7.647 19 HD11 LEU 2 1HD1 LEU 2 -12.954 6.151 7.791 20 HD12 LEU 2 2HD1 LEU 2 -11.979 5.501 9.111 21 HD13 LEU 2 3HD1 LEU 2 -13.710 5.753 9.333 22 HD21 LEU 2 1HD2 LEU 2 -12.472 2.629 6.634 23 HD22 LEU 2 2HD2 LEU 2 -11.211 3.554 7.450 24 HD23 LEU 2 3HD2 LEU 2 -12.218 4.323 6.220 25 H GLU 3 H GLU 3 -9.781 3.907 10.490 26 HA GLU 3 HA GLU 3 -10.221 4.650 13.219 27 HB2 GLU 3 2HB GLU 3 -8.046 5.752 13.101 28 HB3 GLU 3 3HB GLU 3 -7.945 4.182 12.319 29 HG2 GLU 3 2HG GLU 3 -7.833 5.122 10.155 30 HG3 GLU 3 3HG GLU 3 -8.413 6.695 10.693 31 H ALA 4 H ALA 4 -9.888 6.918 13.976 32 HA ALA 4 HA ALA 4 -10.743 9.110 12.209 33 HB1 ALA 4 1HB ALA 4 -12.393 9.905 13.877 34 HB2 ALA 4 2HB ALA 4 -12.069 8.496 14.888 35 HB3 ALA 4 3HB ALA 4 -12.820 8.290 13.306 36 H HIS 5 H HIS 5 -8.175 8.275 13.314 37 HA HIS 5 HA HIS 5 -7.528 9.612 15.754 38 HB2 HIS 5 2HB HIS 5 -5.689 8.598 13.551 39 HB3 HIS 5 3HB HIS 5 -5.140 9.174 15.121 40 HD1 HIS 5 HD1 HIS 5 -5.413 6.142 13.541 41 HD2 HIS 5 HD2 HIS 5 -6.893 7.495 17.185 42 HE1 HIS 5 HE1 HIS 5 -5.734 4.087 14.957 43 HE2 HIS 5 HE2 HIS 5 -6.473 4.944 17.185 44 H TYR 6 H TYR 6 -5.979 11.330 16.014 45 HA TYR 6 HA TYR 6 -6.669 13.706 14.651 46 HB2 TYR 6 2HB TYR 6 -4.407 13.106 16.609 47 HB3 TYR 6 3HB TYR 6 -4.855 14.723 16.083 48 HD1 TYR 6 HD1 TYR 6 -7.086 15.694 16.775 49 HD2 TYR 6 HD2 TYR 6 -5.708 11.960 18.334 50 HE1 TYR 6 HE1 TYR 6 -8.738 15.835 18.597 51 HE2 TYR 6 HE2 TYR 6 -7.359 12.101 20.156 52 HH TYR 6 HH TYR 6 -8.633 13.866 21.360 53 H THR 7 H THR 7 -6.207 13.580 12.470 54 HA THR 7 HA THR 7 -3.362 13.475 11.653 55 HB THR 7 HB THR 7 -4.319 11.380 10.890 56 HG1 THR 7 HG1 THR 7 -4.390 12.891 8.514 57 HG21 THR 7 1HG2 THR 7 -6.239 11.240 9.313 58 HG22 THR 7 2HG2 THR 7 -6.529 12.967 9.526 59 HG23 THR 7 3HG2 THR 7 -6.728 11.865 10.888 60 H ASN 8 H ASN 8 -2.798 15.421 11.091 61 HA ASN 8 HA ASN 8 -3.886 16.824 8.860 62 HB2 ASN 8 2HB ASN 8 -4.416 18.984 9.981 63 HB3 ASN 8 3HB ASN 8 -5.495 17.701 10.520 64 HD21 ASN 8 1HD2 ASN 8 -5.221 16.868 12.633 65 HD22 ASN 8 2HD2 ASN 8 -4.399 17.766 13.855 66 H LEU 9 H LEU 9 -2.424 18.425 8.097 67 HA LEU 9 HA LEU 9 -0.372 19.266 7.579 68 HB2 LEU 9 2HB LEU 9 -0.674 20.421 9.818 69 HB3 LEU 9 3HB LEU 9 0.188 19.097 10.580 70 HG LEU 9 HG LEU 9 2.245 19.721 9.294 71 HD11 LEU 9 1HD1 LEU 9 2.376 21.856 8.100 72 HD12 LEU 9 2HD1 LEU 9 0.646 22.109 8.338 73 HD13 LEU 9 3HD1 LEU 9 1.214 20.768 7.343 74 HD21 LEU 9 1HD2 LEU 9 1.917 20.565 11.578 75 HD22 LEU 9 2HD2 LEU 9 1.100 21.997 10.947 76 HD23 LEU 9 3HD2 LEU 9 2.807 21.723 10.591 77 H LYS 10 H LYS 10 -0.885 16.367 7.655 78 HA LYS 10 HA LYS 10 1.789 15.270 7.453 79 HB2 LYS 10 2HB LYS 10 1.491 13.490 9.129 80 HB3 LYS 10 3HB LYS 10 1.351 15.064 9.896 81 HG2 LYS 10 2HG LYS 10 -1.133 14.831 9.889 82 HG3 LYS 10 3HG LYS 10 -0.951 13.227 9.170 83 HD2 LYS 10 2HD LYS 10 -1.334 13.065 11.602 84 HD3 LYS 10 3HD LYS 10 0.261 12.446 11.177 85 HE2 LYS 10 2HE LYS 10 1.288 14.556 11.932 86 HE3 LYS 10 3HE LYS 10 -0.306 15.205 12.328 87 HZ1 LYS 10 1HZ LYS 10 0.859 14.335 14.281 88 HZ2 LYS 10 2HZ LYS 10 0.917 12.801 13.586 89 HZ3 LYS 10 3HZ LYS 10 -0.569 13.486 13.988 90 H CYS 11 H CYS 11 1.547 12.786 7.040 91 HA CYS 11 HA CYS 11 -0.109 12.375 4.753 92 HB2 CYS 11 2HB CYS 11 1.548 10.395 6.380 93 HB3 CYS 11 3HB CYS 11 0.927 10.123 4.751 94 H ARG 12 H ARG 12 -2.259 11.974 4.927 95 HA ARG 12 HA ARG 12 -3.596 11.066 7.245 96 HB2 ARG 12 2HB ARG 12 -5.657 11.079 5.958 97 HB3 ARG 12 3HB ARG 12 -4.707 12.495 5.559 98 HG2 ARG 12 2HG ARG 12 -5.448 11.943 3.458 99 HG3 ARG 12 3HG ARG 12 -3.955 11.017 3.465 100 HD2 ARG 12 2HD ARG 12 -5.791 9.699 2.538 101 HD3 ARG 12 3HD ARG 12 -5.218 8.973 4.042 102 HE ARG 12 HE ARG 12 -7.470 10.773 4.363 103 HH11 ARG 12 1HH1 ARG 12 -6.595 7.424 3.662 104 HH12 ARG 12 2HH1 ARG 12 -8.131 6.794 4.185 105 HH21 ARG 12 1HH2 ARG 12 -9.453 9.932 5.050 106 HH22 ARG 12 2HH2 ARG 12 -9.750 8.213 4.969 107 H CYS 13 H CYS 13 -4.623 9.093 7.702 108 HA CYS 13 HA CYS 13 -3.670 6.712 6.244 109 HB2 CYS 13 2HB CYS 13 -2.094 7.280 8.145 110 HB3 CYS 13 3HB CYS 13 -3.434 7.043 9.264 111 H SER 14 H SER 14 -4.738 4.719 7.016 112 HA SER 14 HA SER 14 -7.438 5.076 8.172 113 HB2 SER 14 2HB SER 14 -6.781 3.348 5.747 114 HB3 SER 14 3HB SER 14 -8.368 3.552 6.485 115 HG SER 14 HG SER 14 -7.773 5.951 6.003 116 H GLY 15 H GLY 15 -4.655 3.964 8.968 117 HA2 GLY 15 2HA GLY 15 -3.905 2.369 10.437 118 HA3 GLY 15 3HA GLY 15 -5.484 1.597 10.410 119 H VAL 16 H VAL 16 -3.585 -0.155 10.470 120 HA VAL 16 HA VAL 16 -2.805 -0.950 7.725 121 HB VAL 16 HB VAL 16 -1.125 -2.444 8.734 122 HG11 VAL 16 1HG1 VAL 16 -0.903 0.375 9.853 123 HG12 VAL 16 2HG1 VAL 16 -0.435 -0.146 8.235 124 HG13 VAL 16 3HG1 VAL 16 0.436 -0.758 9.641 125 HG21 VAL 16 1HG2 VAL 16 -0.645 -2.520 11.142 126 HG22 VAL 16 2HG2 VAL 16 -2.308 -3.022 10.840 127 HG23 VAL 16 3HG2 VAL 16 -1.978 -1.412 11.469 128 H ILE 17 H ILE 17 -2.693 -3.459 7.506 129 HA ILE 17 HA ILE 17 -5.218 -4.599 8.528 130 HB ILE 17 HB ILE 17 -5.387 -5.828 6.218 131 HG12 ILE 17 2HG1 ILE 17 -4.659 -4.309 4.273 132 HG13 ILE 17 3HG1 ILE 17 -3.608 -3.471 5.398 133 HG21 ILE 17 1HG2 ILE 17 -6.817 -4.037 5.323 134 HG22 ILE 17 2HG2 ILE 17 -6.082 -2.877 6.428 135 HG23 ILE 17 3HG2 ILE 17 -7.036 -4.217 7.067 136 HD11 ILE 17 1HD1 ILE 17 -3.424 -6.373 4.585 137 HD12 ILE 17 2HD1 ILE 17 -2.340 -5.568 5.720 138 HD13 ILE 17 3HD1 ILE 17 -2.388 -5.059 4.033 139 H SER 18 H SER 18 -5.195 -6.566 9.310 140 HA SER 18 HA SER 18 -2.823 -8.240 9.313 141 HB2 SER 18 2HB SER 18 -5.643 -8.849 10.329 142 HB3 SER 18 3HB SER 18 -4.161 -9.716 10.743 143 HG SER 18 HG SER 18 -3.756 -7.155 11.294 144 H THR 19 H THR 19 -6.025 -8.186 7.794 145 HA THR 19 HA THR 19 -5.966 -10.699 6.488 146 HB THR 19 HB THR 19 -7.579 -8.174 5.840 147 HG1 THR 19 HG1 THR 19 -7.727 -10.041 7.851 148 HG21 THR 19 1HG2 THR 19 -7.634 -9.835 3.980 149 HG22 THR 19 2HG2 THR 19 -9.207 -9.685 4.771 150 HG23 THR 19 3HG2 THR 19 -8.168 -11.071 5.113 151 H VAL 20 H VAL 20 -4.697 -11.242 4.793 152 HA VAL 20 HA VAL 20 -3.046 -9.484 3.347 153 HB VAL 20 HB VAL 20 -2.450 -11.872 3.590 154 HG11 VAL 20 1HG1 VAL 20 -3.436 -13.646 2.154 155 HG12 VAL 20 2HG1 VAL 20 -4.702 -12.528 1.649 156 HG13 VAL 20 3HG1 VAL 20 -4.594 -13.035 3.332 157 HG21 VAL 20 1HG2 VAL 20 -1.577 -12.252 1.302 158 HG22 VAL 20 2HG2 VAL 20 -1.384 -10.573 1.808 159 HG23 VAL 20 3HG2 VAL 20 -2.671 -11.011 0.684 160 H VAL 21 H VAL 21 -3.593 -8.079 1.861 161 HA VAL 21 HA VAL 21 -6.164 -8.115 0.506 162 HB VAL 21 HB VAL 21 -5.330 -6.032 1.563 163 HG11 VAL 21 1HG1 VAL 21 -2.935 -6.262 1.269 164 HG12 VAL 21 2HG1 VAL 21 -3.464 -4.736 0.563 165 HG13 VAL 21 3HG1 VAL 21 -3.093 -6.108 -0.480 166 HG21 VAL 21 1HG2 VAL 21 -6.919 -5.780 -0.244 167 HG22 VAL 21 2HG2 VAL 21 -5.630 -5.822 -1.448 168 HG23 VAL 21 3HG2 VAL 21 -5.748 -4.465 -0.326 169 H GLY 22 H GLY 22 -6.452 -8.511 -1.669 170 HA2 GLY 22 2HA GLY 22 -4.460 -10.068 -3.025 171 HA3 GLY 22 3HA GLY 22 -6.083 -9.713 -3.587 172 H LEU 23 H LEU 23 -3.262 -9.628 -4.776 173 HA LEU 23 HA LEU 23 -2.481 -7.073 -5.527 174 HB2 LEU 23 2HB LEU 23 -1.178 -9.157 -5.869 175 HB3 LEU 23 3HB LEU 23 -2.271 -9.657 -7.138 176 HG LEU 23 HG LEU 23 -0.691 -7.070 -7.451 177 HD11 LEU 23 1HD1 LEU 23 0.986 -8.770 -6.849 178 HD12 LEU 23 2HD1 LEU 23 1.150 -8.295 -8.535 179 HD13 LEU 23 3HD1 LEU 23 0.385 -9.831 -8.123 180 HD21 LEU 23 1HD2 LEU 23 -0.835 -7.590 -9.855 181 HD22 LEU 23 2HD2 LEU 23 -2.434 -7.515 -9.122 182 HD23 LEU 23 3HD2 LEU 23 -1.709 -9.080 -9.488 183 H ASN 24 H ASN 24 -4.981 -9.138 -6.884 184 HA ASN 24 HA ASN 24 -5.568 -7.675 -9.235 185 HB2 ASN 24 2HB ASN 24 -6.233 -10.011 -8.980 186 HB3 ASN 24 3HB ASN 24 -7.253 -9.623 -7.602 187 HD21 ASN 24 1HD2 ASN 24 -6.897 -9.242 -11.089 188 HD22 ASN 24 2HD2 ASN 24 -8.569 -8.965 -11.411 189 H ILE 25 H ILE 25 -6.664 -7.280 -5.869 190 HA ILE 25 HA ILE 25 -8.776 -5.425 -6.733 191 HB ILE 25 HB ILE 25 -9.619 -5.371 -4.461 192 HG12 ILE 25 2HG1 ILE 25 -7.379 -7.288 -3.667 193 HG13 ILE 25 3HG1 ILE 25 -7.456 -5.594 -3.217 194 HG21 ILE 25 1HG2 ILE 25 -10.420 -7.158 -5.936 195 HG22 ILE 25 2HG2 ILE 25 -10.396 -7.703 -4.261 196 HG23 ILE 25 3HG2 ILE 25 -9.131 -8.224 -5.373 197 HD11 ILE 25 1HD1 ILE 25 -9.397 -7.743 -2.371 198 HD12 ILE 25 2HD1 ILE 25 -9.496 -6.042 -1.919 199 HD13 ILE 25 3HD1 ILE 25 -8.136 -7.018 -1.384 200 H ILE 26 H ILE 26 -5.533 -5.227 -5.990 201 HA ILE 26 HA ILE 26 -5.461 -2.603 -4.801 202 HB ILE 26 HB ILE 26 -3.332 -3.926 -6.568 203 HG12 ILE 26 2HG1 ILE 26 -3.807 -5.390 -4.627 204 HG13 ILE 26 3HG1 ILE 26 -2.199 -4.705 -4.518 205 HG21 ILE 26 1HG2 ILE 26 -3.012 -1.642 -4.570 206 HG22 ILE 26 2HG2 ILE 26 -2.952 -1.510 -6.327 207 HG23 ILE 26 3HG2 ILE 26 -1.704 -2.413 -5.473 208 HD11 ILE 26 1HD1 ILE 26 -4.627 -3.893 -2.942 209 HD12 ILE 26 2HD1 ILE 26 -3.075 -3.056 -2.888 210 HD13 ILE 26 3HD1 ILE 26 -3.192 -4.732 -2.363 211 H ASP 27 H ASP 27 -5.640 -0.624 -5.827 212 HA ASP 27 HA ASP 27 -5.806 -0.528 -8.786 213 HB2 ASP 27 2HB ASP 27 -7.744 0.490 -7.637 214 HB3 ASP 27 3HB ASP 27 -6.678 1.541 -6.717 215 H ARG 28 H ARG 28 -4.427 1.216 -5.989 216 HA ARG 28 HA ARG 28 -2.107 2.061 -7.585 217 HB2 ARG 28 2HB ARG 28 -4.278 3.787 -7.332 218 HB3 ARG 28 3HB ARG 28 -3.335 4.243 -5.924 219 HG2 ARG 28 2HG ARG 28 -2.832 5.694 -7.808 220 HG3 ARG 28 3HG ARG 28 -1.403 4.749 -7.368 221 HD2 ARG 28 2HD ARG 28 -1.830 4.946 -9.854 222 HD3 ARG 28 3HD ARG 28 -1.699 3.288 -9.261 223 HE ARG 28 HE ARG 28 -4.381 3.833 -9.187 224 HH11 ARG 28 1HH1 ARG 28 -2.001 3.899 -11.785 225 HH12 ARG 28 2HH1 ARG 28 -3.175 3.519 -13.006 226 HH21 ARG 28 1HH2 ARG 28 -5.854 3.253 -10.776 227 HH22 ARG 28 2HH2 ARG 28 -5.350 3.151 -12.437 228 H ILE 29 H ILE 29 -0.275 2.232 -6.358 229 HA ILE 29 HA ILE 29 -0.465 2.025 -3.404 230 HB ILE 29 HB ILE 29 1.852 1.271 -5.272 231 HG12 ILE 29 2HG1 ILE 29 0.027 -0.537 -3.624 232 HG13 ILE 29 3HG1 ILE 29 -0.060 -0.334 -5.366 233 HG21 ILE 29 1HG2 ILE 29 2.996 0.375 -3.271 234 HG22 ILE 29 2HG2 ILE 29 1.682 0.960 -2.253 235 HG23 ILE 29 3HG2 ILE 29 2.706 2.110 -3.113 236 HD11 ILE 29 1HD1 ILE 29 2.218 -1.564 -3.827 237 HD12 ILE 29 2HD1 ILE 29 2.180 -1.315 -5.576 238 HD13 ILE 29 3HD1 ILE 29 1.017 -2.397 -4.812 239 H GLN 30 H GLN 30 -0.403 4.106 -2.678 240 HA GLN 30 HA GLN 30 1.261 6.135 -4.019 241 HB2 GLN 30 2HB GLN 30 -1.091 6.717 -3.474 242 HB3 GLN 30 3HB GLN 30 -0.802 6.371 -1.772 243 HG2 GLN 30 2HG GLN 30 0.845 8.256 -1.711 244 HG3 GLN 30 3HG GLN 30 0.460 8.610 -3.396 245 HE21 GLN 30 1HE2 GLN 30 -0.270 10.683 -2.917 246 HE22 GLN 30 2HE2 GLN 30 -1.742 10.992 -2.070 247 H VAL 31 H VAL 31 3.314 5.912 -3.379 248 HA VAL 31 HA VAL 31 4.047 5.270 -0.601 249 HB VAL 31 HB VAL 31 5.755 5.526 -3.139 250 HG11 VAL 31 1HG1 VAL 31 6.654 4.669 -0.367 251 HG12 VAL 31 2HG1 VAL 31 7.071 6.192 -1.155 252 HG13 VAL 31 3HG1 VAL 31 7.645 4.667 -1.827 253 HG21 VAL 31 1HG2 VAL 31 4.335 3.498 -3.115 254 HG22 VAL 31 2HG2 VAL 31 4.988 3.052 -1.539 255 HG23 VAL 31 3HG2 VAL 31 6.040 3.079 -2.955 256 H THR 32 H THR 32 4.079 6.993 0.716 257 HA THR 32 HA THR 32 4.737 9.681 -0.323 258 HB THR 32 HB THR 32 3.294 9.013 2.289 259 HG1 THR 32 HG1 THR 32 1.892 8.314 0.781 260 HG21 THR 32 1HG2 THR 32 2.538 11.346 2.196 261 HG22 THR 32 2HG2 THR 32 3.380 11.594 0.667 262 HG23 THR 32 3HG2 THR 32 4.300 11.299 2.147 263 HA PRO 33 HA PRO 33 8.508 8.995 2.211 264 HB2 PRO 33 2HB PRO 33 9.866 11.229 1.393 265 HB3 PRO 33 3HB PRO 33 9.712 9.794 0.362 266 HG2 PRO 33 2HG PRO 33 8.108 12.328 0.290 267 HG3 PRO 33 3HG PRO 33 8.845 11.432 -1.060 268 HD2 PRO 33 2HD PRO 33 6.213 11.184 -0.444 269 HD3 PRO 33 3HD PRO 33 7.159 9.828 -1.095 270 HA PRO 34 HA PRO 34 7.644 11.756 5.734 271 HB2 PRO 34 2HB PRO 34 10.106 11.932 6.942 272 HB3 PRO 34 3HB PRO 34 9.117 10.461 7.012 273 HG2 PRO 34 2HG PRO 34 11.420 11.082 5.188 274 HG3 PRO 34 3HG PRO 34 11.083 9.595 6.110 275 HD2 PRO 34 2HD PRO 34 10.492 9.781 3.476 276 HD3 PRO 34 3HD PRO 34 9.472 8.854 4.596 277 H GLY 35 H GLY 35 7.890 14.007 6.334 278 HA2 GLY 35 2HA GLY 35 9.794 15.769 5.122 279 HA3 GLY 35 3HA GLY 35 8.281 15.779 4.220 280 H ASN 36 H ASN 36 6.337 15.714 5.995 281 HA ASN 36 HA ASN 36 6.819 17.561 8.202 282 HB2 ASN 36 2HB ASN 36 4.970 19.097 7.521 283 HB3 ASN 36 3HB ASN 36 6.315 19.127 6.398 284 HD21 ASN 36 1HD2 ASN 36 2.970 18.350 6.817 285 HD22 ASN 36 2HD2 ASN 36 2.627 17.995 5.163 286 H GLY 37 H GLY 37 6.139 16.325 9.811 287 HA2 GLY 37 2HA GLY 37 4.586 15.507 11.305 288 HA3 GLY 37 3HA GLY 37 3.330 15.694 10.098 289 H CYS 38 H CYS 38 5.270 13.992 8.287 290 HA CYS 38 HA CYS 38 4.079 11.414 8.961 291 HB2 CYS 38 2HB CYS 38 5.860 12.116 6.586 292 HB3 CYS 38 3HB CYS 38 4.758 10.747 6.732 293 HA PRO 39 HA PRO 39 7.949 10.548 11.219 294 HB2 PRO 39 2HB PRO 39 6.815 7.789 11.544 295 HB3 PRO 39 3HB PRO 39 7.290 8.966 12.788 296 HG2 PRO 39 2HG PRO 39 4.718 8.442 12.336 297 HG3 PRO 39 3HG PRO 39 5.259 10.099 12.702 298 HD2 PRO 39 2HD PRO 39 4.609 8.881 10.007 299 HD3 PRO 39 3HD PRO 39 4.111 10.454 10.681 300 H LYS 40 H LYS 40 6.851 7.576 9.566 301 HA LYS 40 HA LYS 40 9.458 7.358 8.177 302 HB2 LYS 40 2HB LYS 40 7.384 5.270 8.968 303 HB3 LYS 40 3HB LYS 40 8.639 4.927 7.789 304 HG2 LYS 40 2HG LYS 40 9.456 4.042 9.807 305 HG3 LYS 40 3HG LYS 40 10.338 5.552 9.602 306 HD2 LYS 40 2HD LYS 40 8.761 6.640 11.219 307 HD3 LYS 40 3HD LYS 40 7.958 5.084 11.442 308 HE2 LYS 40 2HE LYS 40 10.147 4.141 12.257 309 HE3 LYS 40 3HE LYS 40 10.834 5.762 12.160 310 HZ1 LYS 40 1HZ LYS 40 10.138 5.288 14.399 311 HZ2 LYS 40 2HZ LYS 40 8.570 4.917 13.887 312 HZ3 LYS 40 3HZ LYS 40 9.146 6.499 13.760 313 H THR 41 H THR 41 9.122 6.100 5.970 314 HA THR 41 HA THR 41 7.464 7.567 4.216 315 HB THR 41 HB THR 41 8.699 4.806 3.798 316 HG1 THR 41 HG1 THR 41 9.962 6.937 4.324 317 HG21 THR 41 1HG2 THR 41 7.787 6.875 1.757 318 HG22 THR 41 2HG2 THR 41 7.002 5.330 2.068 319 HG23 THR 41 3HG2 THR 41 8.623 5.351 1.381 320 H GLU 42 H GLU 42 5.304 7.530 4.321 321 HA GLU 42 HA GLU 42 3.806 5.265 5.435 322 HB2 GLU 42 2HB GLU 42 2.823 8.000 4.496 323 HB3 GLU 42 3HB GLU 42 1.904 6.862 5.465 324 HG2 GLU 42 2HG GLU 42 4.424 8.285 6.357 325 HG3 GLU 42 3HG GLU 42 2.788 8.778 6.776 326 H VAL 43 H VAL 43 3.254 3.691 3.986 327 HA VAL 43 HA VAL 43 2.834 4.388 1.145 328 HB VAL 43 HB VAL 43 3.077 1.621 2.427 329 HG11 VAL 43 1HG1 VAL 43 3.452 0.825 0.103 330 HG12 VAL 43 2HG1 VAL 43 3.134 2.452 -0.499 331 HG13 VAL 43 3HG1 VAL 43 1.854 1.543 0.307 332 HG21 VAL 43 1HG2 VAL 43 5.208 3.225 0.965 333 HG22 VAL 43 2HG2 VAL 43 5.381 1.566 1.546 334 HG23 VAL 43 3HG2 VAL 43 5.170 2.884 2.698 335 H VAL 44 H VAL 44 0.796 5.130 0.962 336 HA VAL 44 HA VAL 44 -1.481 3.841 2.309 337 HB VAL 44 HB VAL 44 -1.313 6.424 0.653 338 HG11 VAL 44 1HG1 VAL 44 -3.605 5.415 2.373 339 HG12 VAL 44 2HG1 VAL 44 -3.586 5.509 0.610 340 HG13 VAL 44 3HG1 VAL 44 -3.528 6.986 1.569 341 HG21 VAL 44 1HG2 VAL 44 -1.403 6.105 3.678 342 HG22 VAL 44 2HG2 VAL 44 -1.427 7.636 2.803 343 HG23 VAL 44 3HG2 VAL 44 -0.002 6.601 2.730 344 H ILE 45 H ILE 45 -2.275 2.109 1.157 345 HA ILE 45 HA ILE 45 -2.193 2.156 -1.800 346 HB ILE 45 HB ILE 45 -2.975 -0.123 0.078 347 HG12 ILE 45 2HG1 ILE 45 -0.478 0.269 -1.617 348 HG13 ILE 45 3HG1 ILE 45 -0.553 0.316 0.139 349 HG21 ILE 45 1HG2 ILE 45 -2.721 -0.162 -2.952 350 HG22 ILE 45 2HG2 ILE 45 -4.227 -0.285 -2.041 351 HG23 ILE 45 3HG2 ILE 45 -3.028 -1.569 -1.929 352 HD11 ILE 45 1HD1 ILE 45 0.376 -1.759 -0.583 353 HD12 ILE 45 2HD1 ILE 45 -1.005 -2.094 -1.617 354 HD13 ILE 45 3HD1 ILE 45 -1.196 -2.074 0.141 355 H TRP 46 H TRP 46 -3.988 2.346 -2.982 356 HA TRP 46 HA TRP 46 -6.647 2.668 -1.748 357 HB2 TRP 46 2HB TRP 46 -5.522 3.715 -4.395 358 HB3 TRP 46 3HB TRP 46 -7.144 4.023 -3.793 359 HD1 TRP 46 HD1 TRP 46 -3.442 4.884 -2.906 360 HE1 TRP 46 HE1 TRP 46 -3.438 7.049 -1.518 361 HE3 TRP 46 HE3 TRP 46 -8.493 5.587 -2.475 362 HZ2 TRP 46 HZ2 TRP 46 -5.319 8.840 -0.422 363 HZ3 TRP 46 HZ3 TRP 46 -9.311 7.563 -1.253 364 HH2 TRP 46 HH2 TRP 46 -7.755 9.157 -0.247 365 H THR 47 H THR 47 -7.856 0.813 -2.069 366 HA THR 47 HA THR 47 -7.265 -1.032 -4.245 367 HB THR 47 HB THR 47 -9.078 -2.422 -3.349 368 HG1 THR 47 HG1 THR 47 -9.649 -0.922 -1.147 369 HG21 THR 47 1HG2 THR 47 -8.205 -2.854 -1.078 370 HG22 THR 47 2HG2 THR 47 -7.352 -1.311 -1.100 371 HG23 THR 47 3HG2 THR 47 -6.884 -2.595 -2.218 372 H LYS 48 H LYS 48 -8.989 -1.704 -5.749 373 HA LYS 48 HA LYS 48 -10.078 0.514 -7.165 374 HB2 LYS 48 2HB LYS 48 -10.789 -1.115 -8.831 375 HB3 LYS 48 3HB LYS 48 -9.162 -1.487 -8.299 376 HG2 LYS 48 2HG LYS 48 -10.107 -3.278 -6.811 377 HG3 LYS 48 3HG LYS 48 -11.693 -2.944 -7.506 378 HD2 LYS 48 2HD LYS 48 -10.816 -3.531 -9.754 379 HD3 LYS 48 3HD LYS 48 -9.235 -3.879 -9.041 380 HE2 LYS 48 2HE LYS 48 -10.386 -5.629 -7.607 381 HE3 LYS 48 3HE LYS 48 -11.834 -5.367 -8.579 382 HZ1 LYS 48 1HZ LYS 48 -9.200 -6.217 -9.643 383 HZ2 LYS 48 2HZ LYS 48 -10.617 -6.016 -10.543 384 HZ3 LYS 48 3HZ LYS 48 -10.521 -7.234 -9.378 385 H MET 49 H MET 49 -11.419 -1.374 -4.631 386 HA MET 49 HA MET 49 -14.193 -0.576 -5.221 387 HB2 MET 49 2HB MET 49 -13.105 -2.057 -2.777 388 HB3 MET 49 3HB MET 49 -14.803 -1.763 -3.125 389 HG2 MET 49 2HG MET 49 -14.384 -4.028 -3.702 390 HG3 MET 49 3HG MET 49 -14.507 -3.151 -5.230 391 HE1 MET 49 1HE MET 49 -12.004 -4.861 -2.661 392 HE2 MET 49 2HE MET 49 -11.551 -3.156 -2.687 393 HE3 MET 49 3HE MET 49 -10.468 -4.363 -3.369 394 H LYS 50 H LYS 50 -11.671 1.115 -4.363 395 HA LYS 50 HA LYS 50 -11.274 3.116 -3.446 396 HB2 LYS 50 2HB LYS 50 -14.267 3.156 -2.902 397 HB3 LYS 50 3HB LYS 50 -13.210 4.529 -2.628 398 HG2 LYS 50 2HG LYS 50 -13.643 3.217 -5.329 399 HG3 LYS 50 3HG LYS 50 -14.469 4.669 -4.778 400 HD2 LYS 50 2HD LYS 50 -11.471 4.378 -5.199 401 HD3 LYS 50 3HD LYS 50 -12.581 5.245 -6.260 402 HE2 LYS 50 2HE LYS 50 -11.928 5.981 -3.380 403 HE3 LYS 50 3HE LYS 50 -11.337 6.809 -4.819 404 HZ1 LYS 50 1HZ LYS 50 -13.546 7.485 -5.355 405 HZ2 LYS 50 2HZ LYS 50 -13.227 7.928 -3.752 406 HZ3 LYS 50 3HZ LYS 50 -14.199 6.585 -4.081 407 H LYS 51 H LYS 51 -11.406 0.511 -1.767 408 HA LYS 51 HA LYS 51 -11.827 1.557 0.939 409 HB2 LYS 51 2HB LYS 51 -12.558 -0.740 0.302 410 HB3 LYS 51 3HB LYS 51 -10.899 -1.194 -0.034 411 HG2 LYS 51 2HG LYS 51 -11.548 -0.218 2.737 412 HG3 LYS 51 3HG LYS 51 -12.128 -1.812 2.270 413 HD2 LYS 51 2HD LYS 51 -9.733 -2.394 1.639 414 HD3 LYS 51 3HD LYS 51 -9.236 -0.870 2.380 415 HE2 LYS 51 2HE LYS 51 -10.722 -3.096 3.814 416 HE3 LYS 51 3HE LYS 51 -8.987 -2.832 3.900 417 HZ1 LYS 51 1HZ LYS 51 -10.210 -1.912 5.790 418 HZ2 LYS 51 2HZ LYS 51 -11.032 -0.862 4.755 419 HZ3 LYS 51 3HZ LYS 51 -9.355 -0.729 4.948 420 H VAL 52 H VAL 52 -10.209 2.400 2.135 421 HA VAL 52 HA VAL 52 -7.555 2.657 0.866 422 HB VAL 52 HB VAL 52 -8.679 4.364 3.143 423 HG11 VAL 52 1HG1 VAL 52 -6.384 4.859 1.211 424 HG12 VAL 52 2HG1 VAL 52 -6.230 4.428 2.917 425 HG13 VAL 52 3HG1 VAL 52 -6.939 5.976 2.458 426 HG21 VAL 52 1HG2 VAL 52 -10.168 4.604 1.202 427 HG22 VAL 52 2HG2 VAL 52 -8.790 4.959 0.165 428 HG23 VAL 52 3HG2 VAL 52 -9.236 6.080 1.454 429 H ILE 53 H ILE 53 -5.720 2.024 1.912 430 HA ILE 53 HA ILE 53 -5.793 1.223 4.743 431 HB ILE 53 HB ILE 53 -4.339 -0.793 4.230 432 HG12 ILE 53 2HG1 ILE 53 -5.241 -0.342 1.343 433 HG13 ILE 53 3HG1 ILE 53 -3.602 -0.130 1.943 434 HG21 ILE 53 1HG2 ILE 53 -6.166 -2.303 3.633 435 HG22 ILE 53 2HG2 ILE 53 -7.122 -0.940 3.044 436 HG23 ILE 53 3HG2 ILE 53 -6.725 -1.061 4.760 437 HD11 ILE 53 1HD1 ILE 53 -5.118 -2.732 1.784 438 HD12 ILE 53 2HD1 ILE 53 -3.493 -2.536 2.444 439 HD13 ILE 53 3HD1 ILE 53 -3.798 -2.207 0.739 440 H CYS 54 H CYS 54 -3.784 1.320 5.753 441 HA CYS 54 HA CYS 54 -1.502 2.526 4.303 442 HB2 CYS 54 2HB CYS 54 -2.009 2.332 7.317 443 HB3 CYS 54 3HB CYS 54 -0.639 3.134 6.551 444 H VAL 55 H VAL 55 0.335 1.286 4.170 445 HA VAL 55 HA VAL 55 0.584 -1.182 5.750 446 HB VAL 55 HB VAL 55 1.501 -2.405 3.758 447 HG11 VAL 55 1HG1 VAL 55 -0.835 -2.806 4.382 448 HG12 VAL 55 2HG1 VAL 55 -0.683 -2.839 2.626 449 HG13 VAL 55 3HG1 VAL 55 -1.362 -1.423 3.419 450 HG21 VAL 55 1HG2 VAL 55 2.166 -0.441 2.415 451 HG22 VAL 55 2HG2 VAL 55 0.471 -0.039 2.152 452 HG23 VAL 55 3HG2 VAL 55 1.137 -1.531 1.484 453 H ASN 56 H ASN 56 2.810 -1.938 5.834 454 HA ASN 56 HA ASN 56 4.680 0.303 6.096 455 HB2 ASN 56 2HB ASN 56 4.827 -2.584 7.070 456 HB3 ASN 56 3HB ASN 56 6.086 -1.375 7.351 457 HD21 ASN 56 1HD2 ASN 56 5.569 0.454 8.716 458 HD22 ASN 56 2HD2 ASN 56 4.276 0.365 9.858 459 HA PRO 57 HA PRO 57 6.921 -0.824 2.322 460 HB2 PRO 57 2HB PRO 57 9.350 0.366 2.849 461 HB3 PRO 57 3HB PRO 57 7.905 1.270 2.367 462 HG2 PRO 57 2HG PRO 57 9.007 0.841 5.122 463 HG3 PRO 57 3HG PRO 57 8.402 2.339 4.373 464 HD2 PRO 57 2HD PRO 57 6.874 0.904 6.069 465 HD3 PRO 57 3HD PRO 57 6.164 1.743 4.669 466 H ARG 58 H ARG 58 7.803 -1.944 5.455 467 HA ARG 58 HA ARG 58 9.756 -3.885 4.415 468 HB2 ARG 58 2HB ARG 58 9.012 -3.095 7.255 469 HB3 ARG 58 3HB ARG 58 10.084 -4.436 6.890 470 HG2 ARG 58 2HG ARG 58 10.609 -1.539 6.159 471 HG3 ARG 58 3HG ARG 58 11.312 -2.394 7.529 472 HD2 ARG 58 2HD ARG 58 12.984 -2.374 5.837 473 HD3 ARG 58 3HD ARG 58 12.335 -4.017 5.841 474 HE ARG 58 HE ARG 58 11.353 -2.015 3.897 475 HH11 ARG 58 1HH1 ARG 58 13.002 -5.095 4.434 476 HH12 ARG 58 2HH1 ARG 58 12.958 -5.532 2.756 477 HH21 ARG 58 1HH2 ARG 58 11.258 -2.650 1.721 478 HH22 ARG 58 2HH2 ARG 58 11.971 -4.157 1.229 479 H ALA 59 H ALA 59 6.521 -3.830 4.463 480 HA ALA 59 HA ALA 59 5.880 -6.445 5.441 481 HB1 ALA 59 1HB ALA 59 4.100 -4.833 5.220 482 HB2 ALA 59 2HB ALA 59 3.769 -6.142 4.083 483 HB3 ALA 59 3HB ALA 59 4.422 -4.608 3.508 484 H LYS 60 H LYS 60 6.259 -8.379 4.494 485 HA LYS 60 HA LYS 60 8.267 -8.507 2.516 486 HB2 LYS 60 2HB LYS 60 8.139 -10.970 2.811 487 HB3 LYS 60 3HB LYS 60 8.197 -10.110 4.345 488 HG2 LYS 60 2HG LYS 60 5.742 -10.373 4.570 489 HG3 LYS 60 3HG LYS 60 5.721 -11.311 3.077 490 HD2 LYS 60 2HD LYS 60 7.174 -12.061 5.642 491 HD3 LYS 60 3HD LYS 60 5.686 -12.788 5.046 492 HE2 LYS 60 2HE LYS 60 6.970 -13.573 3.015 493 HE3 LYS 60 3HE LYS 60 8.442 -12.975 3.782 494 HZ1 LYS 60 1HZ LYS 60 7.913 -14.483 5.682 495 HZ2 LYS 60 2HZ LYS 60 8.273 -15.283 4.242 496 HZ3 LYS 60 3HZ LYS 60 6.673 -15.153 4.751 497 H TRP 61 H TRP 61 4.814 -9.237 2.348 498 HA TRP 61 HA TRP 61 4.754 -10.271 -0.307 499 HB2 TRP 61 2HB TRP 61 2.282 -9.930 -0.153 500 HB3 TRP 61 3HB TRP 61 2.926 -10.710 1.291 501 HD1 TRP 61 HD1 TRP 61 2.931 -9.244 3.591 502 HE1 TRP 61 HE1 TRP 61 1.632 -7.155 4.299 503 HE3 TRP 61 HE3 TRP 61 1.195 -7.737 -0.983 504 HZ2 TRP 61 HZ2 TRP 61 0.090 -5.150 3.121 505 HZ3 TRP 61 HZ3 TRP 61 -0.185 -5.704 -1.106 506 HH2 TRP 61 HH2 TRP 61 -0.727 -4.436 0.907 507 H LEU 62 H LEU 62 4.570 -7.025 1.051 508 HA LEU 62 HA LEU 62 3.537 -5.652 -1.191 509 HB2 LEU 62 2HB LEU 62 3.476 -4.697 1.065 510 HB3 LEU 62 3HB LEU 62 5.233 -4.626 1.094 511 HG LEU 62 HG LEU 62 5.123 -2.981 -0.847 512 HD11 LEU 62 1HD1 LEU 62 2.984 -1.787 -1.227 513 HD12 LEU 62 2HD1 LEU 62 2.159 -3.026 -0.276 514 HD13 LEU 62 3HD1 LEU 62 2.971 -3.459 -1.779 515 HD21 LEU 62 1HD2 LEU 62 3.785 -2.117 1.724 516 HD22 LEU 62 2HD2 LEU 62 4.524 -1.046 0.533 517 HD23 LEU 62 3HD2 LEU 62 5.515 -2.200 1.412 518 H GLN 63 H GLN 63 6.817 -6.439 -0.126 519 HA GLN 63 HA GLN 63 8.323 -4.928 -1.939 520 HB2 GLN 63 2HB GLN 63 8.931 -7.662 -0.738 521 HB3 GLN 63 3HB GLN 63 10.108 -6.678 -1.604 522 HG2 GLN 63 2HG GLN 63 9.885 -4.893 0.099 523 HG3 GLN 63 3HG GLN 63 8.705 -5.876 0.967 524 HE21 GLN 63 1HE2 GLN 63 9.429 -7.744 2.051 525 HE22 GLN 63 2HE2 GLN 63 11.081 -7.993 2.460 526 H ARG 64 H ARG 64 6.830 -8.140 -2.282 527 HA ARG 64 HA ARG 64 7.738 -8.752 -4.897 528 HB2 ARG 64 2HB ARG 64 6.820 -10.433 -3.339 529 HB3 ARG 64 3HB ARG 64 5.233 -9.677 -3.425 530 HG2 ARG 64 2HG ARG 64 4.981 -10.335 -5.754 531 HG3 ARG 64 3HG ARG 64 6.637 -10.944 -5.802 532 HD2 ARG 64 2HD ARG 64 4.360 -12.069 -4.129 533 HD3 ARG 64 3HD ARG 64 5.057 -12.804 -5.577 534 HE ARG 64 HE ARG 64 7.188 -12.529 -3.905 535 HH11 ARG 64 1HH1 ARG 64 4.062 -14.132 -3.535 536 HH12 ARG 64 2HH1 ARG 64 4.671 -15.316 -2.421 537 HH21 ARG 64 1HH2 ARG 64 7.968 -14.048 -2.426 538 HH22 ARG 64 2HH2 ARG 64 6.905 -15.263 -1.789 539 H LEU 65 H LEU 65 4.907 -6.955 -3.714 540 HA LEU 65 HA LEU 65 3.582 -6.484 -6.186 541 HB2 LEU 65 2HB LEU 65 3.599 -5.133 -3.506 542 HB3 LEU 65 3HB LEU 65 2.895 -4.251 -4.834 543 HG LEU 65 HG LEU 65 1.271 -5.510 -3.345 544 HD11 LEU 65 1HD1 LEU 65 1.168 -6.170 -6.305 545 HD12 LEU 65 2HD1 LEU 65 0.572 -4.700 -5.535 546 HD13 LEU 65 3HD1 LEU 65 -0.189 -6.245 -5.176 547 HD21 LEU 65 1HD2 LEU 65 0.936 -7.920 -3.709 548 HD22 LEU 65 2HD2 LEU 65 2.512 -7.593 -3.005 549 HD23 LEU 65 3HD2 LEU 65 2.380 -7.987 -4.718 550 H LEU 66 H LEU 66 6.141 -4.757 -4.471 551 HA LEU 66 HA LEU 66 6.357 -2.552 -6.266 552 HB2 LEU 66 2HB LEU 66 8.313 -3.531 -4.150 553 HB3 LEU 66 3HB LEU 66 8.387 -1.968 -4.948 554 HG LEU 66 HG LEU 66 6.134 -2.886 -3.117 555 HD11 LEU 66 1HD1 LEU 66 8.320 -0.872 -2.533 556 HD12 LEU 66 2HD1 LEU 66 8.203 -2.497 -1.861 557 HD13 LEU 66 3HD1 LEU 66 6.974 -1.299 -1.469 558 HD21 LEU 66 1HD2 LEU 66 5.323 -0.559 -3.194 559 HD22 LEU 66 2HD2 LEU 66 5.265 -1.323 -4.775 560 HD23 LEU 66 3HD2 LEU 66 6.547 -0.170 -4.406 561 H ARG 67 H ARG 67 7.748 -5.753 -6.186 562 HA ARG 67 HA ARG 67 9.698 -5.196 -8.299 563 HB2 ARG 67 2HB ARG 67 8.924 -7.880 -7.093 564 HB3 ARG 67 3HB ARG 67 10.302 -7.566 -8.134 565 HG2 ARG 67 2HG ARG 67 9.927 -6.542 -5.311 566 HG3 ARG 67 3HG ARG 67 10.985 -7.849 -5.804 567 HD2 ARG 67 2HD ARG 67 12.362 -5.955 -5.440 568 HD3 ARG 67 3HD ARG 67 12.261 -6.162 -7.188 569 HE ARG 67 HE ARG 67 10.314 -4.322 -6.157 570 HH11 ARG 67 1HH1 ARG 67 13.707 -4.545 -7.093 571 HH12 ARG 67 2HH1 ARG 67 13.824 -2.853 -7.454 572 HH21 ARG 67 1HH2 ARG 67 10.471 -2.129 -6.726 573 HH22 ARG 67 2HH2 ARG 67 11.997 -1.487 -7.248 574 H HIS 68 H HIS 68 6.401 -6.296 -8.045 575 HA HIS 68 HA HIS 68 6.225 -7.361 -10.737 576 HB2 HIS 68 2HB HIS 68 4.287 -6.932 -8.487 577 HB3 HIS 68 3HB HIS 68 3.600 -6.930 -10.103 578 HD1 HIS 68 HD1 HIS 68 5.722 -9.214 -7.887 579 HD2 HIS 68 HD2 HIS 68 3.122 -9.410 -11.124 580 HE1 HIS 68 HE1 HIS 68 5.362 -11.665 -8.326 581 HE2 HIS 68 HE2 HIS 68 3.903 -11.748 -10.367 582 H VAL 69 H VAL 69 5.744 -4.203 -9.221 583 HA VAL 69 HA VAL 69 4.697 -2.980 -11.647 584 HB VAL 69 HB VAL 69 4.726 -0.849 -10.544 585 HG11 VAL 69 1HG1 VAL 69 3.887 -2.926 -8.496 586 HG12 VAL 69 2HG1 VAL 69 2.912 -2.337 -9.840 587 HG13 VAL 69 3HG1 VAL 69 3.367 -1.241 -8.536 588 HG21 VAL 69 1HG2 VAL 69 6.917 -0.799 -9.533 589 HG22 VAL 69 2HG2 VAL 69 6.482 -2.067 -8.397 590 HG23 VAL 69 3HG2 VAL 69 5.724 -0.480 -8.270 591 H GLN 70 H GLN 70 7.777 -3.825 -10.484 592 HA GLN 70 HA GLN 70 9.471 -2.029 -11.865 593 HB2 GLN 70 2HB GLN 70 10.271 -3.570 -10.086 594 HB3 GLN 70 3HB GLN 70 9.920 -4.948 -11.117 595 HG2 GLN 70 2HG GLN 70 11.627 -4.066 -12.749 596 HG3 GLN 70 3HG GLN 70 12.043 -2.831 -11.566 597 HE21 GLN 70 1HE2 GLN 70 11.796 -4.684 -9.253 598 HE22 GLN 70 2HE2 GLN 70 13.184 -5.707 -9.344 599 H SER 71 H SER 71 10.386 -2.184 -13.936 600 HA SER 71 HA SER 71 8.625 -3.047 -15.973 601 HB2 SER 71 2HB SER 71 10.090 -1.042 -16.178 602 HB3 SER 71 3HB SER 71 11.505 -2.088 -16.257 603 HG SER 71 HG SER 71 10.604 -1.348 -18.321 604 H LYS 72 H LYS 72 8.320 -5.198 -15.902 605 HA LYS 72 HA LYS 72 10.405 -7.191 -16.076 606 HB2 LYS 72 2HB LYS 72 8.470 -7.845 -14.839 607 HB3 LYS 72 3HB LYS 72 7.359 -7.223 -16.051 608 HG2 LYS 72 2HG LYS 72 7.772 -9.073 -17.513 609 HG3 LYS 72 3HG LYS 72 9.143 -9.624 -16.553 610 HD2 LYS 72 2HD LYS 72 6.284 -9.555 -15.514 611 HD3 LYS 72 3HD LYS 72 7.008 -10.976 -16.265 612 HE2 LYS 72 2HE LYS 72 7.988 -9.612 -13.735 613 HE3 LYS 72 3HE LYS 72 7.104 -11.135 -13.813 614 HZ1 LYS 72 1HZ LYS 72 8.944 -12.102 -15.034 615 HZ2 LYS 72 2HZ LYS 72 9.477 -11.493 -13.551 616 HZ3 LYS 72 3HZ LYS 72 9.794 -10.642 -14.974 617 H SER 73 H SER 73 10.942 -8.418 -17.883 618 HA SER 73 HA SER 73 10.643 -7.295 -20.490 619 HB2 SER 73 2HB SER 73 12.673 -8.570 -19.767 620 HB3 SER 73 3HB SER 73 11.726 -10.045 -19.688 621 HG SER 73 HG SER 73 11.241 -9.287 -22.047 622 H LEU 74 H LEU 74 8.445 -7.158 -20.806 623 HA LEU 74 HA LEU 74 6.886 -9.562 -21.454 624 HB2 LEU 74 2HB LEU 74 6.442 -9.028 -19.055 625 HB3 LEU 74 3HB LEU 74 6.051 -7.380 -19.489 626 HG LEU 74 HG LEU 74 4.089 -8.321 -20.839 627 HD11 LEU 74 1HD1 LEU 74 4.695 -10.858 -19.297 628 HD12 LEU 74 2HD1 LEU 74 4.843 -10.641 -21.042 629 HD13 LEU 74 3HD1 LEU 74 3.259 -10.548 -20.279 630 HD21 LEU 74 1HD2 LEU 74 2.631 -8.552 -18.879 631 HD22 LEU 74 2HD2 LEU 74 3.763 -7.220 -18.671 632 HD23 LEU 74 3HD2 LEU 74 4.042 -8.747 -17.833 633 H SER 75 H SER 75 5.308 -9.101 -23.056 634 HA SER 75 HA SER 75 5.949 -7.122 -24.909 635 HB2 SER 75 2HB SER 75 3.378 -8.728 -24.673 636 HB3 SER 75 3HB SER 75 3.896 -7.842 -26.111 637 HG SER 75 HG SER 75 4.758 -9.733 -26.556 638 H SER 76 H SER 76 5.848 -5.016 -24.366 639 HA SER 76 HA SER 76 3.581 -3.883 -22.917 640 HB2 SER 76 2HB SER 76 5.951 -3.227 -22.366 641 HB3 SER 76 3HB SER 76 6.079 -2.473 -23.964 642 HG SER 76 HG SER 76 4.443 -1.768 -21.759 643 H THR 77 H THR 77 2.783 -1.705 -23.775 644 HA THR 77 HA THR 77 2.415 -1.509 -26.650 645 HB THR 77 HB THR 77 0.770 -3.280 -26.024 646 HG1 THR 77 HG1 THR 77 -0.669 -0.894 -26.581 647 HG21 THR 77 1HG2 THR 77 -1.180 -2.768 -24.608 648 HG22 THR 77 2HG2 THR 77 -0.496 -1.190 -24.218 649 HG23 THR 77 3HG2 THR 77 0.322 -2.661 -23.686 650 HA PRO 78 HA PRO 78 1.773 2.898 -25.519 651 HB2 PRO 78 2HB PRO 78 -0.500 2.805 -27.517 652 HB3 PRO 78 3HB PRO 78 0.832 3.973 -27.387 653 HG2 PRO 78 2HG PRO 78 0.863 2.116 -29.293 654 HG3 PRO 78 3HG PRO 78 2.363 2.572 -28.448 655 HD2 PRO 78 2HD PRO 78 0.682 0.104 -28.114 656 HD3 PRO 78 3HD PRO 78 2.444 0.295 -28.015 657 H GLN 79 H GLN 79 0.939 2.824 -23.424 658 HA GLN 79 HA GLN 79 -1.778 1.955 -22.877 659 HB2 GLN 79 2HB GLN 79 0.003 1.531 -21.205 660 HB3 GLN 79 3HB GLN 79 0.271 3.260 -21.026 661 HG2 GLN 79 2HG GLN 79 -2.046 3.515 -20.162 662 HG3 GLN 79 3HG GLN 79 -2.285 1.780 -20.313 663 HE21 GLN 79 1HE2 GLN 79 -0.641 4.305 -18.541 664 HE22 GLN 79 2HE2 GLN 79 -0.247 3.345 -17.159 665 H ALA 80 H ALA 80 -3.523 3.219 -22.720 666 HA ALA 80 HA ALA 80 -3.569 5.931 -23.558 667 HB1 ALA 80 1HB ALA 80 -5.481 4.435 -23.902 668 HB2 ALA 80 2HB ALA 80 -5.974 5.828 -22.944 669 HB3 ALA 80 3HB ALA 80 -5.705 4.272 -22.156 670 HA PRO 81 HA PRO 81 -2.578 7.822 -19.461 671 HB2 PRO 81 2HB PRO 81 -3.769 10.238 -20.835 672 HB3 PRO 81 3HB PRO 81 -2.226 10.082 -19.964 673 HG2 PRO 81 2HG PRO 81 -2.278 10.232 -22.628 674 HG3 PRO 81 3HG PRO 81 -1.124 9.157 -21.797 675 HD2 PRO 81 2HD PRO 81 -3.693 8.457 -23.208 676 HD3 PRO 81 3HD PRO 81 -2.145 7.579 -23.176 677 H VAL 82 H VAL 82 -3.899 8.263 -17.692 678 HA VAL 82 HA VAL 82 -6.689 7.560 -17.901 679 HB VAL 82 HB VAL 82 -5.136 8.583 -15.462 680 HG11 VAL 82 1HG1 VAL 82 -7.560 9.021 -15.217 681 HG12 VAL 82 2HG1 VAL 82 -7.034 7.763 -14.102 682 HG13 VAL 82 3HG1 VAL 82 -7.914 7.327 -15.566 683 HG21 VAL 82 1HG2 VAL 82 -4.275 6.415 -16.226 684 HG22 VAL 82 2HG2 VAL 82 -5.905 5.753 -16.270 685 HG23 VAL 82 3HG2 VAL 82 -5.176 6.200 -14.727 686 H SER 83 H SER 83 -7.919 9.008 -18.928 687 HA SER 83 HA SER 83 -7.690 11.826 -18.837 688 HB2 SER 83 2HB SER 83 -8.827 10.683 -20.694 689 HB3 SER 83 3HB SER 83 -10.052 10.039 -19.596 690 HG SER 83 HG SER 83 -9.597 12.750 -20.316 691 H LYS 84 H LYS 84 -7.539 12.448 -16.672 692 HA LYS 84 HA LYS 84 -9.786 11.999 -14.834 693 HB2 LYS 84 2HB LYS 84 -7.200 13.591 -14.459 694 HB3 LYS 84 3HB LYS 84 -8.380 13.246 -13.201 695 HG2 LYS 84 2HG LYS 84 -7.872 10.857 -13.327 696 HG3 LYS 84 3HG LYS 84 -6.759 11.139 -14.661 697 HD2 LYS 84 2HD LYS 84 -6.377 12.327 -11.882 698 HD3 LYS 84 3HD LYS 84 -5.669 10.799 -12.388 699 HE2 LYS 84 2HE LYS 84 -3.966 12.481 -12.576 700 HE3 LYS 84 3HE LYS 84 -4.450 12.050 -14.215 701 HZ1 LYS 84 1HZ LYS 84 -5.698 14.081 -14.374 702 HZ2 LYS 84 2HZ LYS 84 -4.141 14.462 -13.832 703 HZ3 LYS 84 3HZ LYS 84 -5.436 14.447 -12.746 704 H ARG 85 H ARG 85 -11.382 13.462 -14.643 705 HA ARG 85 HA ARG 85 -11.745 15.696 -16.305 706 HB2 ARG 85 2HB ARG 85 -13.771 16.156 -15.055 707 HB3 ARG 85 3HB ARG 85 -13.606 14.411 -15.194 708 HG2 ARG 85 2HG ARG 85 -12.852 14.266 -12.850 709 HG3 ARG 85 3HG ARG 85 -12.874 16.021 -12.715 710 HD2 ARG 85 2HD ARG 85 -15.327 14.336 -13.303 711 HD3 ARG 85 3HD ARG 85 -14.844 14.857 -11.690 712 HE ARG 85 HE ARG 85 -15.412 16.811 -13.836 713 HH11 ARG 85 1HH1 ARG 85 -16.080 15.606 -10.597 714 HH12 ARG 85 2HH1 ARG 85 -17.100 16.946 -10.182 715 HH21 ARG 85 1HH2 ARG 85 -16.712 18.579 -13.261 716 HH22 ARG 85 2HH2 ARG 85 -17.462 18.633 -11.693 717 H ARG 86 H ARG 86 -12.106 17.969 -15.669 718 HA ARG 86 HA ARG 86 -10.093 19.081 -13.923 719 HB2 ARG 86 2HB ARG 86 -10.794 20.239 -16.026 720 HB3 ARG 86 3HB ARG 86 -12.408 20.466 -15.359 721 HG2 ARG 86 2HG ARG 86 -11.224 22.550 -15.133 722 HG3 ARG 86 3HG ARG 86 -11.373 21.856 -13.521 723 HD2 ARG 86 2HD ARG 86 -9.006 20.972 -13.779 724 HD3 ARG 86 3HD ARG 86 -8.892 21.893 -15.284 725 HE ARG 86 HE ARG 86 -9.702 23.522 -13.071 726 HH11 ARG 86 1HH1 ARG 86 -6.817 22.096 -14.515 727 HH12 ARG 86 2HH1 ARG 86 -5.749 23.294 -13.853 728 HH21 ARG 86 1HH2 ARG 86 -8.299 25.099 -12.253 729 HH22 ARG 86 2HH2 ARG 86 -6.593 25.005 -12.575 730 H ALA 87 H ALA 87 -10.610 18.153 -11.925 731 HA ALA 87 HA ALA 87 -13.155 18.674 -10.619 732 HB1 ALA 87 1HB ALA 87 -11.986 16.555 -10.214 733 HB2 ALA 87 2HB ALA 87 -12.174 17.472 -8.720 734 HB3 ALA 87 3HB ALA 87 -10.610 17.430 -9.533 735 H ALA 88 H ALA 88 -13.282 20.896 -10.554 736 HA ALA 88 HA ALA 88 -11.153 22.536 -9.423 737 HB1 ALA 88 1HB ALA 88 -13.855 23.333 -10.583 738 HB2 ALA 88 2HB ALA 88 -12.319 23.296 -11.449 739 HB3 ALA 88 3HB ALA 88 -12.551 24.440 -10.131 Start of MODEL 8 1 H1 ILE 1 1H ILE 1 -13.398 32.979 16.644 2 H2 ILE 1 2H ILE 1 -14.961 32.331 16.651 3 H3 ILE 1 3H ILE 1 -13.641 31.343 16.306 4 HA ILE 1 HA ILE 1 -14.208 32.676 18.852 5 HB ILE 1 HB ILE 1 -14.288 29.700 18.197 6 HG12 ILE 1 2HG1 ILE 1 -16.254 30.933 17.272 7 HG13 ILE 1 3HG1 ILE 1 -16.721 29.803 18.535 8 HG21 ILE 1 1HG2 ILE 1 -14.902 31.106 20.827 9 HG22 ILE 1 2HG2 ILE 1 -13.509 30.074 20.500 10 HG23 ILE 1 3HG2 ILE 1 -15.132 29.384 20.505 11 HD11 ILE 1 1HD1 ILE 1 -16.464 32.796 18.831 12 HD12 ILE 1 2HD1 ILE 1 -16.932 31.674 20.113 13 HD13 ILE 1 3HD1 ILE 1 -17.956 31.870 18.692 14 H LEU 2 H LEU 2 -12.124 30.193 17.326 15 HA LEU 2 HA LEU 2 -9.697 31.243 18.399 16 HB2 LEU 2 2HB LEU 2 -9.168 29.233 19.901 17 HB3 LEU 2 3HB LEU 2 -10.325 30.391 20.514 18 HG LEU 2 HG LEU 2 -12.185 28.757 19.762 19 HD11 LEU 2 1HD1 LEU 2 -11.607 26.375 19.534 20 HD12 LEU 2 2HD1 LEU 2 -9.889 26.782 19.558 21 HD13 LEU 2 3HD1 LEU 2 -10.906 27.337 18.229 22 HD21 LEU 2 1HD2 LEU 2 -11.576 29.065 22.114 23 HD22 LEU 2 2HD2 LEU 2 -10.304 27.849 21.963 24 HD23 LEU 2 3HD2 LEU 2 -11.996 27.382 21.786 25 H GLU 3 H GLU 3 -11.133 29.816 16.050 26 HA GLU 3 HA GLU 3 -9.898 27.481 15.273 27 HB2 GLU 3 2HB GLU 3 -10.518 28.054 12.934 28 HB3 GLU 3 3HB GLU 3 -11.839 28.345 14.048 29 HG2 GLU 3 2HG GLU 3 -10.034 30.490 12.879 30 HG3 GLU 3 3HG GLU 3 -11.642 30.082 12.284 31 H ALA 4 H ALA 4 -8.058 26.912 14.147 32 HA ALA 4 HA ALA 4 -5.723 28.543 14.487 33 HB1 ALA 4 1HB ALA 4 -4.524 26.641 13.460 34 HB2 ALA 4 2HB ALA 4 -6.064 25.897 13.017 35 HB3 ALA 4 3HB ALA 4 -5.635 26.096 14.717 36 H HIS 5 H HIS 5 -5.015 30.076 13.115 37 HA HIS 5 HA HIS 5 -5.905 30.349 10.368 38 HB2 HIS 5 2HB HIS 5 -5.400 32.365 11.731 39 HB3 HIS 5 3HB HIS 5 -3.724 31.856 11.916 40 HD1 HIS 5 HD1 HIS 5 -2.116 32.530 10.090 41 HD2 HIS 5 HD2 HIS 5 -6.078 33.191 9.020 42 HE1 HIS 5 HE1 HIS 5 -2.028 33.843 7.949 43 HE2 HIS 5 HE2 HIS 5 -4.436 34.297 7.375 44 H TYR 6 H TYR 6 -3.210 28.945 12.079 45 HA TYR 6 HA TYR 6 -1.916 28.150 9.525 46 HB2 TYR 6 2HB TYR 6 -0.544 29.752 10.885 47 HB3 TYR 6 3HB TYR 6 -0.568 28.616 12.233 48 HD1 TYR 6 HD1 TYR 6 1.303 27.157 12.435 49 HD2 TYR 6 HD2 TYR 6 0.335 28.714 8.568 50 HE1 TYR 6 HE1 TYR 6 3.287 26.046 11.485 51 HE2 TYR 6 HE2 TYR 6 2.311 27.611 7.629 52 HH TYR 6 HH TYR 6 4.432 26.729 8.314 53 H THR 7 H THR 7 -1.056 26.029 9.458 54 HA THR 7 HA THR 7 -1.682 24.060 11.513 55 HB THR 7 HB THR 7 -3.847 24.256 10.312 56 HG1 THR 7 HG1 THR 7 -3.525 21.909 9.249 57 HG21 THR 7 1HG2 THR 7 -2.312 23.510 7.792 58 HG22 THR 7 2HG2 THR 7 -3.027 25.094 8.129 59 HG23 THR 7 3HG2 THR 7 -4.056 23.674 7.924 60 H ASN 8 H ASN 8 -1.116 21.751 10.451 61 HA ASN 8 HA ASN 8 0.993 21.926 8.421 62 HB2 ASN 8 2HB ASN 8 2.354 20.205 9.804 63 HB3 ASN 8 3HB ASN 8 2.399 21.881 10.319 64 HD21 ASN 8 1HD2 ASN 8 3.033 21.311 12.422 65 HD22 ASN 8 2HD2 ASN 8 1.940 20.599 13.554 66 H LEU 9 H LEU 9 0.731 20.419 6.863 67 HA LEU 9 HA LEU 9 -1.339 18.348 7.242 68 HB2 LEU 9 2HB LEU 9 -0.200 19.608 4.715 69 HB3 LEU 9 3HB LEU 9 -1.207 18.170 4.684 70 HG LEU 9 HG LEU 9 -3.050 19.545 5.817 71 HD11 LEU 9 1HD1 LEU 9 -1.320 21.910 5.074 72 HD12 LEU 9 2HD1 LEU 9 -1.681 21.361 6.711 73 HD13 LEU 9 3HD1 LEU 9 -2.976 21.976 5.685 74 HD21 LEU 9 1HD2 LEU 9 -3.134 18.998 3.435 75 HD22 LEU 9 2HD2 LEU 9 -2.190 20.439 3.050 76 HD23 LEU 9 3HD2 LEU 9 -3.807 20.600 3.741 77 H LYS 10 H LYS 10 -0.322 16.641 8.115 78 HA LYS 10 HA LYS 10 2.169 15.542 7.008 79 HB2 LYS 10 2HB LYS 10 0.429 14.501 9.308 80 HB3 LYS 10 3HB LYS 10 1.995 13.861 8.836 81 HG2 LYS 10 2HG LYS 10 2.431 15.146 10.763 82 HG3 LYS 10 3HG LYS 10 2.973 16.153 9.423 83 HD2 LYS 10 2HD LYS 10 1.784 17.483 11.122 84 HD3 LYS 10 3HD LYS 10 0.906 17.502 9.590 85 HE2 LYS 10 2HE LYS 10 -0.625 15.743 10.495 86 HE3 LYS 10 3HE LYS 10 0.241 15.816 12.032 87 HZ1 LYS 10 1HZ LYS 10 -1.746 17.148 12.115 88 HZ2 LYS 10 2HZ LYS 10 -1.265 18.042 10.769 89 HZ3 LYS 10 3HZ LYS 10 -0.394 18.155 12.211 90 H CYS 11 H CYS 11 2.163 13.140 6.487 91 HA CYS 11 HA CYS 11 0.085 12.420 4.661 92 HB2 CYS 11 2HB CYS 11 2.338 10.716 5.821 93 HB3 CYS 11 3HB CYS 11 1.340 10.296 4.425 94 H ARG 12 H ARG 12 -1.882 11.635 5.256 95 HA ARG 12 HA ARG 12 -2.352 10.845 8.041 96 HB2 ARG 12 2HB ARG 12 -4.239 11.578 5.767 97 HB3 ARG 12 3HB ARG 12 -4.787 11.115 7.381 98 HG2 ARG 12 2HG ARG 12 -3.915 13.064 8.381 99 HG3 ARG 12 3HG ARG 12 -2.846 13.414 7.018 100 HD2 ARG 12 2HD ARG 12 -5.877 13.621 7.017 101 HD3 ARG 12 3HD ARG 12 -4.738 14.971 7.066 102 HE ARG 12 HE ARG 12 -5.545 13.441 4.764 103 HH11 ARG 12 1HH1 ARG 12 -2.926 15.458 6.009 104 HH12 ARG 12 2HH1 ARG 12 -2.343 15.864 4.427 105 HH21 ARG 12 1HH2 ARG 12 -4.721 13.940 2.729 106 HH22 ARG 12 2HH2 ARG 12 -3.360 15.004 2.574 107 H CYS 13 H CYS 13 -3.314 8.993 8.674 108 HA CYS 13 HA CYS 13 -3.873 6.796 6.825 109 HB2 CYS 13 2HB CYS 13 -1.519 6.426 7.197 110 HB3 CYS 13 3HB CYS 13 -1.650 6.796 8.912 111 H SER 14 H SER 14 -4.818 4.914 8.002 112 HA SER 14 HA SER 14 -6.623 5.799 10.146 113 HB2 SER 14 2HB SER 14 -6.668 3.227 8.499 114 HB3 SER 14 3HB SER 14 -7.938 3.802 9.588 115 HG SER 14 HG SER 14 -7.939 5.738 8.172 116 H GLY 15 H GLY 15 -4.361 3.097 9.433 117 HA2 GLY 15 2HA GLY 15 -3.253 2.868 11.982 118 HA3 GLY 15 3HA GLY 15 -4.641 1.790 11.949 119 H VAL 16 H VAL 16 -4.102 -0.243 11.509 120 HA VAL 16 HA VAL 16 -2.081 -0.908 9.458 121 HB VAL 16 HB VAL 16 -1.207 -2.772 10.908 122 HG11 VAL 16 1HG1 VAL 16 -0.867 -0.031 12.182 123 HG12 VAL 16 2HG1 VAL 16 0.064 -0.674 10.827 124 HG13 VAL 16 3HG1 VAL 16 0.199 -1.423 12.418 125 HG21 VAL 16 1HG2 VAL 16 -3.148 -3.079 12.390 126 HG22 VAL 16 2HG2 VAL 16 -2.862 -1.504 13.134 127 HG23 VAL 16 3HG2 VAL 16 -1.689 -2.808 13.346 128 H ILE 17 H ILE 17 -2.295 -3.178 8.697 129 HA ILE 17 HA ILE 17 -5.051 -4.233 8.989 130 HB ILE 17 HB ILE 17 -4.604 -5.479 6.772 131 HG12 ILE 17 2HG1 ILE 17 -3.082 -4.274 5.131 132 HG13 ILE 17 3HG1 ILE 17 -2.371 -3.394 6.469 133 HG21 ILE 17 1HG2 ILE 17 -5.374 -3.570 5.413 134 HG22 ILE 17 2HG2 ILE 17 -4.909 -2.456 6.698 135 HG23 ILE 17 3HG2 ILE 17 -6.199 -3.632 6.973 136 HD11 ILE 17 1HD1 ILE 17 -2.251 -6.374 6.026 137 HD12 ILE 17 2HD1 ILE 17 -1.494 -5.502 7.359 138 HD13 ILE 17 3HD1 ILE 17 -0.960 -5.216 5.703 139 H SER 18 H SER 18 -5.374 -6.453 9.149 140 HA SER 18 HA SER 18 -3.130 -8.001 10.311 141 HB2 SER 18 2HB SER 18 -6.127 -8.327 10.794 142 HB3 SER 18 3HB SER 18 -4.832 -9.198 11.624 143 HG SER 18 HG SER 18 -4.211 -6.726 11.975 144 H THR 19 H THR 19 -4.290 -7.754 7.396 145 HA THR 19 HA THR 19 -4.324 -10.619 6.777 146 HB THR 19 HB THR 19 -6.723 -10.088 7.118 147 HG1 THR 19 HG1 THR 19 -6.445 -10.211 4.301 148 HG21 THR 19 1HG2 THR 19 -6.399 -7.989 4.944 149 HG22 THR 19 2HG2 THR 19 -6.679 -7.648 6.655 150 HG23 THR 19 3HG2 THR 19 -7.917 -8.467 5.694 151 H VAL 20 H VAL 20 -3.843 -11.065 4.590 152 HA VAL 20 HA VAL 20 -2.512 -8.979 3.066 153 HB VAL 20 HB VAL 20 -1.995 -10.663 1.360 154 HG11 VAL 20 1HG1 VAL 20 -0.471 -10.486 3.250 155 HG12 VAL 20 2HG1 VAL 20 -0.541 -12.155 2.687 156 HG13 VAL 20 3HG1 VAL 20 -1.401 -11.684 4.155 157 HG21 VAL 20 1HG2 VAL 20 -4.086 -12.039 1.477 158 HG22 VAL 20 2HG2 VAL 20 -3.505 -12.767 2.975 159 HG23 VAL 20 3HG2 VAL 20 -2.615 -13.012 1.480 160 H VAL 21 H VAL 21 -3.222 -8.111 1.166 161 HA VAL 21 HA VAL 21 -6.120 -8.271 0.578 162 HB VAL 21 HB VAL 21 -5.340 -6.066 1.370 163 HG11 VAL 21 1HG1 VAL 21 -3.009 -6.125 0.760 164 HG12 VAL 21 2HG1 VAL 21 -3.729 -4.713 -0.009 165 HG13 VAL 21 3HG1 VAL 21 -3.395 -6.160 -0.958 166 HG21 VAL 21 1HG2 VAL 21 -7.195 -6.046 -0.227 167 HG22 VAL 21 2HG2 VAL 21 -6.067 -6.005 -1.583 168 HG23 VAL 21 3HG2 VAL 21 -6.174 -4.630 -0.482 169 H GLY 22 H GLY 22 -6.796 -8.522 -1.597 170 HA2 GLY 22 2HA GLY 22 -5.269 -10.205 -3.259 171 HA3 GLY 22 3HA GLY 22 -6.773 -9.420 -3.703 172 H LEU 23 H LEU 23 -3.712 -9.765 -4.677 173 HA LEU 23 HA LEU 23 -2.662 -7.244 -5.278 174 HB2 LEU 23 2HB LEU 23 -1.541 -9.532 -5.399 175 HB3 LEU 23 3HB LEU 23 -2.317 -9.770 -6.947 176 HG LEU 23 HG LEU 23 -0.390 -7.449 -6.484 177 HD11 LEU 23 1HD1 LEU 23 1.440 -8.814 -7.405 178 HD12 LEU 23 2HD1 LEU 23 0.388 -10.234 -7.416 179 HD13 LEU 23 3HD1 LEU 23 0.837 -9.480 -5.884 180 HD21 LEU 23 1HD2 LEU 23 -1.741 -7.280 -8.531 181 HD22 LEU 23 2HD2 LEU 23 -1.202 -8.877 -9.043 182 HD23 LEU 23 3HD2 LEU 23 -0.043 -7.552 -8.933 183 H ASN 24 H ASN 24 -5.071 -9.157 -6.944 184 HA ASN 24 HA ASN 24 -5.181 -7.681 -9.377 185 HB2 ASN 24 2HB ASN 24 -5.881 -10.036 -9.242 186 HB3 ASN 24 3HB ASN 24 -7.185 -9.613 -8.136 187 HD21 ASN 24 1HD2 ASN 24 -6.012 -9.208 -11.451 188 HD22 ASN 24 2HD2 ASN 24 -7.568 -8.914 -12.145 189 H ILE 25 H ILE 25 -6.718 -7.224 -6.218 190 HA ILE 25 HA ILE 25 -8.710 -5.365 -7.362 191 HB ILE 25 HB ILE 25 -9.815 -5.269 -5.224 192 HG12 ILE 25 2HG1 ILE 25 -7.514 -6.887 -4.037 193 HG13 ILE 25 3HG1 ILE 25 -7.846 -5.192 -3.717 194 HG21 ILE 25 1HG2 ILE 25 -10.455 -7.627 -4.883 195 HG22 ILE 25 2HG2 ILE 25 -9.028 -8.155 -5.778 196 HG23 ILE 25 3HG2 ILE 25 -10.299 -7.254 -6.606 197 HD11 ILE 25 1HD1 ILE 25 -9.563 -7.542 -2.932 198 HD12 ILE 25 2HD1 ILE 25 -9.988 -5.848 -2.679 199 HD13 ILE 25 3HD1 ILE 25 -8.577 -6.531 -1.873 200 H ILE 26 H ILE 26 -5.546 -5.126 -6.480 201 HA ILE 26 HA ILE 26 -5.553 -2.526 -5.201 202 HB ILE 26 HB ILE 26 -3.235 -3.887 -6.667 203 HG12 ILE 26 2HG1 ILE 26 -3.963 -5.418 -4.914 204 HG13 ILE 26 3HG1 ILE 26 -2.463 -4.662 -4.400 205 HG21 ILE 26 1HG2 ILE 26 -3.211 -1.673 -4.575 206 HG22 ILE 26 2HG2 ILE 26 -2.851 -1.490 -6.294 207 HG23 ILE 26 3HG2 ILE 26 -1.780 -2.444 -5.266 208 HD11 ILE 26 1HD1 ILE 26 -5.244 -4.092 -3.414 209 HD12 ILE 26 2HD1 ILE 26 -3.830 -3.124 -2.983 210 HD13 ILE 26 3HD1 ILE 26 -3.904 -4.823 -2.552 211 H ASP 27 H ASP 27 -6.212 -0.758 -6.297 212 HA ASP 27 HA ASP 27 -6.131 -0.627 -9.212 213 HB2 ASP 27 2HB ASP 27 -8.147 0.114 -7.919 214 HB3 ASP 27 3HB ASP 27 -7.205 1.399 -7.190 215 H ARG 28 H ARG 28 -4.996 1.320 -6.444 216 HA ARG 28 HA ARG 28 -2.529 2.015 -7.821 217 HB2 ARG 28 2HB ARG 28 -2.875 4.452 -7.676 218 HB3 ARG 28 3HB ARG 28 -4.091 3.704 -8.702 219 HG2 ARG 28 2HG ARG 28 -5.649 3.782 -6.639 220 HG3 ARG 28 3HG ARG 28 -4.447 4.857 -5.917 221 HD2 ARG 28 2HD ARG 28 -6.176 6.215 -6.940 222 HD3 ARG 28 3HD ARG 28 -4.708 6.382 -7.913 223 HE ARG 28 HE ARG 28 -7.065 4.729 -8.615 224 HH11 ARG 28 1HH1 ARG 28 -4.252 6.551 -9.687 225 HH12 ARG 28 2HH1 ARG 28 -4.613 6.347 -11.371 226 HH21 ARG 28 1HH2 ARG 28 -7.503 4.432 -10.806 227 HH22 ARG 28 2HH2 ARG 28 -6.461 5.138 -12.003 228 H ILE 29 H ILE 29 -0.916 2.701 -6.407 229 HA ILE 29 HA ILE 29 -1.548 2.599 -3.503 230 HB ILE 29 HB ILE 29 1.057 1.883 -4.949 231 HG12 ILE 29 2HG1 ILE 29 -0.879 0.123 -3.379 232 HG13 ILE 29 3HG1 ILE 29 -0.731 0.153 -5.131 233 HG21 ILE 29 1HG2 ILE 29 1.593 2.955 -2.808 234 HG22 ILE 29 2HG2 ILE 29 1.935 1.226 -2.718 235 HG23 ILE 29 3HG2 ILE 29 0.478 1.878 -1.967 236 HD11 ILE 29 1HD1 ILE 29 1.366 -0.794 -3.173 237 HD12 ILE 29 2HD1 ILE 29 1.573 -0.699 -4.925 238 HD13 ILE 29 3HD1 ILE 29 0.364 -1.782 -4.240 239 H GLN 30 H GLN 30 -1.390 4.548 -2.541 240 HA GLN 30 HA GLN 30 0.217 6.714 -3.707 241 HB2 GLN 30 2HB GLN 30 -2.107 7.198 -2.947 242 HB3 GLN 30 3HB GLN 30 -1.696 6.680 -1.317 243 HG2 GLN 30 2HG GLN 30 -1.766 9.125 -1.469 244 HG3 GLN 30 3HG GLN 30 -0.130 8.577 -1.102 245 HE21 GLN 30 1HE2 GLN 30 1.497 8.858 -2.670 246 HE22 GLN 30 2HE2 GLN 30 1.276 9.856 -4.062 247 H VAL 31 H VAL 31 2.322 6.654 -3.124 248 HA VAL 31 HA VAL 31 3.015 5.991 -0.317 249 HB VAL 31 HB VAL 31 3.904 4.259 -1.891 250 HG11 VAL 31 1HG1 VAL 31 5.638 6.483 -3.020 251 HG12 VAL 31 2HG1 VAL 31 4.456 5.511 -3.901 252 HG13 VAL 31 3HG1 VAL 31 5.922 4.762 -3.282 253 HG21 VAL 31 1HG2 VAL 31 4.960 4.691 0.300 254 HG22 VAL 31 2HG2 VAL 31 6.057 5.848 -0.457 255 HG23 VAL 31 3HG2 VAL 31 6.140 4.139 -0.893 256 H THR 32 H THR 32 4.039 7.491 0.803 257 HA THR 32 HA THR 32 5.299 9.800 -0.540 258 HB THR 32 HB THR 32 4.669 11.086 1.596 259 HG1 THR 32 HG1 THR 32 4.122 9.478 2.998 260 HG21 THR 32 1HG2 THR 32 3.381 11.465 -0.485 261 HG22 THR 32 2HG2 THR 32 2.328 11.533 0.928 262 HG23 THR 32 3HG2 THR 32 2.334 10.096 -0.099 263 HA PRO 33 HA PRO 33 9.057 8.416 1.649 264 HB2 PRO 33 2HB PRO 33 9.802 11.336 1.406 265 HB3 PRO 33 3HB PRO 33 10.704 9.895 0.890 266 HG2 PRO 33 2HG PRO 33 9.523 11.389 -0.933 267 HG3 PRO 33 3HG PRO 33 9.417 9.614 -1.058 268 HD2 PRO 33 2HD PRO 33 7.345 11.555 -0.012 269 HD3 PRO 33 3HD PRO 33 7.139 10.186 -1.134 270 HA PRO 34 HA PRO 34 8.759 10.028 5.952 271 HB2 PRO 34 2HB PRO 34 11.388 9.982 6.785 272 HB3 PRO 34 3HB PRO 34 10.403 8.513 6.639 273 HG2 PRO 34 2HG PRO 34 12.415 9.620 4.694 274 HG3 PRO 34 3HG PRO 34 12.196 7.943 5.250 275 HD2 PRO 34 2HD PRO 34 11.217 8.778 2.870 276 HD3 PRO 34 3HD PRO 34 10.356 7.574 3.855 277 H GLY 35 H GLY 35 9.753 11.861 7.325 278 HA2 GLY 35 2HA GLY 35 10.279 14.096 7.593 279 HA3 GLY 35 3HA GLY 35 11.005 14.089 5.991 280 H ASN 36 H ASN 36 9.881 16.308 6.273 281 HA ASN 36 HA ASN 36 8.367 17.860 5.618 282 HB2 ASN 36 2HB ASN 36 7.104 15.612 3.964 283 HB3 ASN 36 3HB ASN 36 6.800 17.334 3.757 284 HD21 ASN 36 1HD2 ASN 36 9.088 14.758 3.280 285 HD22 ASN 36 2HD2 ASN 36 10.125 15.611 2.193 286 H GLY 37 H GLY 37 7.805 15.870 7.890 287 HA2 GLY 37 2HA GLY 37 6.194 16.203 9.605 288 HA3 GLY 37 3HA GLY 37 4.971 16.546 8.392 289 H CYS 38 H CYS 38 6.168 14.111 6.838 290 HA CYS 38 HA CYS 38 4.380 12.120 8.016 291 HB2 CYS 38 2HB CYS 38 6.136 11.865 5.524 292 HB3 CYS 38 3HB CYS 38 4.707 10.907 5.934 293 HA PRO 39 HA PRO 39 7.724 10.544 10.556 294 HB2 PRO 39 2HB PRO 39 6.620 8.093 11.306 295 HB3 PRO 39 3HB PRO 39 6.174 9.656 12.021 296 HG2 PRO 39 2HG PRO 39 4.758 8.083 9.901 297 HG3 PRO 39 3HG PRO 39 4.080 8.991 11.271 298 HD2 PRO 39 2HD PRO 39 4.070 9.983 8.744 299 HD3 PRO 39 3HD PRO 39 4.236 11.039 10.166 300 H LYS 40 H LYS 40 6.425 7.651 8.893 301 HA LYS 40 HA LYS 40 9.153 6.814 8.102 302 HB2 LYS 40 2HB LYS 40 6.542 5.217 8.152 303 HB3 LYS 40 3HB LYS 40 8.149 4.566 7.821 304 HG2 LYS 40 2HG LYS 40 8.845 5.016 10.127 305 HG3 LYS 40 3HG LYS 40 7.286 5.784 10.468 306 HD2 LYS 40 2HD LYS 40 6.131 3.627 10.038 307 HD3 LYS 40 3HD LYS 40 7.684 2.856 9.701 308 HE2 LYS 40 2HE LYS 40 6.904 4.103 12.360 309 HE3 LYS 40 3HE LYS 40 6.830 2.380 11.991 310 HZ1 LYS 40 1HZ LYS 40 9.216 2.375 11.662 311 HZ2 LYS 40 2HZ LYS 40 8.840 2.971 13.199 312 HZ3 LYS 40 3HZ LYS 40 9.296 4.035 11.976 313 H THR 41 H THR 41 9.066 5.558 5.864 314 HA THR 41 HA THR 41 7.766 6.962 3.775 315 HB THR 41 HB THR 41 8.613 4.019 3.822 316 HG1 THR 41 HG1 THR 41 10.526 5.005 2.702 317 HG21 THR 41 1HG2 THR 41 8.815 4.229 1.364 318 HG22 THR 41 2HG2 THR 41 8.211 5.885 1.450 319 HG23 THR 41 3HG2 THR 41 7.159 4.536 1.891 320 H GLU 42 H GLU 42 5.569 7.157 3.720 321 HA GLU 42 HA GLU 42 3.830 5.267 5.125 322 HB2 GLU 42 2HB GLU 42 3.224 7.957 3.827 323 HB3 GLU 42 3HB GLU 42 2.088 7.027 4.801 324 HG2 GLU 42 2HG GLU 42 4.694 8.244 5.788 325 HG3 GLU 42 3HG GLU 42 3.088 8.917 6.048 326 H VAL 43 H VAL 43 3.105 3.561 3.971 327 HA VAL 43 HA VAL 43 2.470 3.890 1.100 328 HB VAL 43 HB VAL 43 2.723 1.242 2.601 329 HG11 VAL 43 1HG1 VAL 43 2.772 1.875 -0.377 330 HG12 VAL 43 2HG1 VAL 43 1.419 1.160 0.502 331 HG13 VAL 43 3HG1 VAL 43 2.931 0.273 0.342 332 HG21 VAL 43 1HG2 VAL 43 4.891 2.430 2.712 333 HG22 VAL 43 2HG2 VAL 43 4.882 2.613 0.957 334 HG23 VAL 43 3HG2 VAL 43 4.984 1.004 1.673 335 H VAL 44 H VAL 44 0.443 4.628 1.045 336 HA VAL 44 HA VAL 44 -1.751 3.310 2.541 337 HB VAL 44 HB VAL 44 -1.683 6.025 1.102 338 HG11 VAL 44 1HG1 VAL 44 -3.888 6.452 2.137 339 HG12 VAL 44 2HG1 VAL 44 -3.897 4.818 2.801 340 HG13 VAL 44 3HG1 VAL 44 -3.943 5.055 1.053 341 HG21 VAL 44 1HG2 VAL 44 -1.752 7.049 3.351 342 HG22 VAL 44 2HG2 VAL 44 -0.309 6.050 3.158 343 HG23 VAL 44 3HG2 VAL 44 -1.678 5.449 4.095 344 H ILE 45 H ILE 45 -2.697 1.732 1.305 345 HA ILE 45 HA ILE 45 -2.508 1.864 -1.631 346 HB ILE 45 HB ILE 45 -3.411 -0.447 0.153 347 HG12 ILE 45 2HG1 ILE 45 -0.787 -0.007 -1.342 348 HG13 ILE 45 3HG1 ILE 45 -0.998 -0.011 0.405 349 HG21 ILE 45 1HG2 ILE 45 -4.512 -0.536 -2.045 350 HG22 ILE 45 2HG2 ILE 45 -3.325 -1.831 -1.898 351 HG23 ILE 45 3HG2 ILE 45 -2.947 -0.394 -2.850 352 HD11 ILE 45 1HD1 ILE 45 -1.596 -2.394 0.313 353 HD12 ILE 45 2HD1 ILE 45 0.006 -2.069 -0.343 354 HD13 ILE 45 3HD1 ILE 45 -1.340 -2.384 -1.436 355 H TRP 46 H TRP 46 -4.255 2.101 -2.909 356 HA TRP 46 HA TRP 46 -6.970 2.441 -1.770 357 HB2 TRP 46 2HB TRP 46 -5.690 3.740 -4.231 358 HB3 TRP 46 3HB TRP 46 -7.355 3.995 -3.707 359 HD1 TRP 46 HD1 TRP 46 -3.726 4.693 -2.457 360 HE1 TRP 46 HE1 TRP 46 -3.777 6.807 -0.998 361 HE3 TRP 46 HE3 TRP 46 -8.783 5.567 -2.423 362 HZ2 TRP 46 HZ2 TRP 46 -5.668 8.628 -0.003 363 HZ3 TRP 46 HZ3 TRP 46 -9.624 7.537 -1.200 364 HH2 TRP 46 HH2 TRP 46 -8.097 9.036 -0.013 365 H THR 47 H THR 47 -8.173 0.651 -2.269 366 HA THR 47 HA THR 47 -7.532 -1.077 -4.520 367 HB THR 47 HB THR 47 -9.497 -2.430 -3.748 368 HG1 THR 47 HG1 THR 47 -9.716 -0.818 -1.478 369 HG21 THR 47 1HG2 THR 47 -8.561 -3.101 -1.557 370 HG22 THR 47 2HG2 THR 47 -7.595 -1.625 -1.507 371 HG23 THR 47 3HG2 THR 47 -7.266 -2.850 -2.737 372 H LYS 48 H LYS 48 -9.373 -1.818 -5.970 373 HA LYS 48 HA LYS 48 -10.366 0.349 -7.525 374 HB2 LYS 48 2HB LYS 48 -11.351 -1.362 -8.982 375 HB3 LYS 48 3HB LYS 48 -9.704 -1.803 -8.557 376 HG2 LYS 48 2HG LYS 48 -10.507 -3.473 -6.960 377 HG3 LYS 48 3HG LYS 48 -12.173 -2.961 -7.212 378 HD2 LYS 48 2HD LYS 48 -10.367 -4.257 -9.296 379 HD3 LYS 48 3HD LYS 48 -11.672 -5.052 -8.415 380 HE2 LYS 48 2HE LYS 48 -13.272 -3.377 -9.462 381 HE3 LYS 48 3HE LYS 48 -11.930 -2.831 -10.476 382 HZ1 LYS 48 1HZ LYS 48 -11.741 -5.095 -11.341 383 HZ2 LYS 48 2HZ LYS 48 -13.277 -4.451 -11.635 384 HZ3 LYS 48 3HZ LYS 48 -13.049 -5.586 -10.397 385 H MET 49 H MET 49 -11.712 -1.431 -4.910 386 HA MET 49 HA MET 49 -14.451 -0.478 -5.351 387 HB2 MET 49 2HB MET 49 -15.072 -1.818 -3.404 388 HB3 MET 49 3HB MET 49 -14.143 -2.789 -4.530 389 HG2 MET 49 2HG MET 49 -12.161 -2.576 -3.074 390 HG3 MET 49 3HG MET 49 -13.098 -1.589 -1.957 391 HE1 MET 49 1HE MET 49 -13.986 -6.056 -2.771 392 HE2 MET 49 2HE MET 49 -12.645 -5.200 -3.525 393 HE3 MET 49 3HE MET 49 -14.308 -4.806 -3.972 394 H LYS 50 H LYS 50 -11.769 0.979 -4.402 395 HA LYS 50 HA LYS 50 -11.285 2.964 -3.469 396 HB2 LYS 50 2HB LYS 50 -14.307 3.179 -3.345 397 HB3 LYS 50 3HB LYS 50 -13.308 4.431 -2.628 398 HG2 LYS 50 2HG LYS 50 -14.060 5.087 -4.853 399 HG3 LYS 50 3HG LYS 50 -12.303 4.915 -4.814 400 HD2 LYS 50 2HD LYS 50 -12.474 2.730 -5.937 401 HD3 LYS 50 3HD LYS 50 -14.234 2.825 -5.905 402 HE2 LYS 50 2HE LYS 50 -14.167 4.749 -7.412 403 HE3 LYS 50 3HE LYS 50 -12.402 4.724 -7.394 404 HZ1 LYS 50 1HZ LYS 50 -13.344 3.669 -9.365 405 HZ2 LYS 50 2HZ LYS 50 -14.121 2.523 -8.399 406 HZ3 LYS 50 3HZ LYS 50 -12.437 2.575 -8.451 407 H LYS 51 H LYS 51 -11.614 0.427 -1.875 408 HA LYS 51 HA LYS 51 -12.064 1.348 0.841 409 HB2 LYS 51 2HB LYS 51 -12.434 -1.078 -0.159 410 HB3 LYS 51 3HB LYS 51 -10.711 -1.286 0.089 411 HG2 LYS 51 2HG LYS 51 -12.676 -0.577 2.293 412 HG3 LYS 51 3HG LYS 51 -12.195 -2.225 1.900 413 HD2 LYS 51 2HD LYS 51 -9.858 -1.699 2.506 414 HD3 LYS 51 3HD LYS 51 -10.312 -0.029 2.851 415 HE2 LYS 51 2HE LYS 51 -10.114 -1.353 4.924 416 HE3 LYS 51 3HE LYS 51 -11.770 -0.793 4.685 417 HZ1 LYS 51 1HZ LYS 51 -11.659 -3.109 5.397 418 HZ2 LYS 51 2HZ LYS 51 -10.775 -3.518 4.018 419 HZ3 LYS 51 3HZ LYS 51 -12.370 -2.973 3.876 420 H VAL 52 H VAL 52 -10.544 2.343 2.001 421 HA VAL 52 HA VAL 52 -7.807 2.681 0.988 422 HB VAL 52 HB VAL 52 -9.204 4.087 3.327 423 HG11 VAL 52 1HG1 VAL 52 -7.382 5.742 3.153 424 HG12 VAL 52 2HG1 VAL 52 -6.646 4.812 1.849 425 HG13 VAL 52 3HG1 VAL 52 -6.730 4.129 3.476 426 HG21 VAL 52 1HG2 VAL 52 -10.374 4.603 1.219 427 HG22 VAL 52 2HG2 VAL 52 -8.846 5.061 0.467 428 HG23 VAL 52 3HG2 VAL 52 -9.490 6.017 1.801 429 H ILE 53 H ILE 53 -6.124 1.618 1.940 430 HA ILE 53 HA ILE 53 -6.352 0.700 4.739 431 HB ILE 53 HB ILE 53 -5.019 -1.377 4.153 432 HG12 ILE 53 2HG1 ILE 53 -5.800 -0.728 1.271 433 HG13 ILE 53 3HG1 ILE 53 -4.175 -0.579 1.929 434 HG21 ILE 53 1HG2 ILE 53 -7.435 -1.517 4.592 435 HG22 ILE 53 2HG2 ILE 53 -6.931 -2.713 3.398 436 HG23 ILE 53 3HG2 ILE 53 -7.769 -1.248 2.879 437 HD11 ILE 53 1HD1 ILE 53 -5.740 -3.136 1.630 438 HD12 ILE 53 2HD1 ILE 53 -4.128 -2.989 2.338 439 HD13 ILE 53 3HD1 ILE 53 -4.386 -2.584 0.641 440 H CYS 54 H CYS 54 -4.399 0.587 5.843 441 HA CYS 54 HA CYS 54 -2.063 1.950 4.646 442 HB2 CYS 54 2HB CYS 54 -2.876 1.565 7.553 443 HB3 CYS 54 3HB CYS 54 -1.339 2.254 7.036 444 H VAL 55 H VAL 55 -0.323 0.690 4.269 445 HA VAL 55 HA VAL 55 0.086 -1.793 5.843 446 HB VAL 55 HB VAL 55 1.049 -2.923 3.905 447 HG11 VAL 55 1HG1 VAL 55 -1.350 -3.183 4.148 448 HG12 VAL 55 2HG1 VAL 55 -0.968 -3.107 2.433 449 HG13 VAL 55 3HG1 VAL 55 -1.659 -1.705 3.240 450 HG21 VAL 55 1HG2 VAL 55 1.091 -1.950 1.644 451 HG22 VAL 55 2HG2 VAL 55 2.055 -0.980 2.759 452 HG23 VAL 55 3HG2 VAL 55 0.453 -0.429 2.269 453 H ASN 56 H ASN 56 2.142 -2.099 6.591 454 HA ASN 56 HA ASN 56 3.924 0.176 6.707 455 HB2 ASN 56 2HB ASN 56 3.381 -1.378 8.670 456 HB3 ASN 56 3HB ASN 56 4.356 -2.611 7.888 457 HD21 ASN 56 1HD2 ASN 56 4.611 -1.148 10.464 458 HD22 ASN 56 2HD2 ASN 56 6.220 -0.519 10.471 459 HA PRO 57 HA PRO 57 6.109 -0.962 2.915 460 HB2 PRO 57 2HB PRO 57 8.573 0.271 3.455 461 HB3 PRO 57 3HB PRO 57 7.132 1.104 2.840 462 HG2 PRO 57 2HG PRO 57 8.069 0.850 5.693 463 HG3 PRO 57 3HG PRO 57 7.501 2.293 4.825 464 HD2 PRO 57 2HD PRO 57 5.835 1.051 6.462 465 HD3 PRO 57 3HD PRO 57 5.236 1.587 4.870 466 H ARG 58 H ARG 58 7.384 -1.852 6.035 467 HA ARG 58 HA ARG 58 9.505 -3.556 5.125 468 HB2 ARG 58 2HB ARG 58 9.743 -4.264 7.428 469 HB3 ARG 58 3HB ARG 58 9.467 -2.527 7.397 470 HG2 ARG 58 2HG ARG 58 7.063 -2.947 8.001 471 HG3 ARG 58 3HG ARG 58 7.433 -4.666 8.132 472 HD2 ARG 58 2HD ARG 58 9.048 -4.181 9.939 473 HD3 ARG 58 3HD ARG 58 8.700 -2.456 9.792 474 HE ARG 58 HE ARG 58 6.303 -3.191 10.375 475 HH11 ARG 58 1HH1 ARG 58 9.179 -4.713 11.721 476 HH12 ARG 58 2HH1 ARG 58 8.379 -5.191 13.188 477 HH21 ARG 58 1HH2 ARG 58 5.277 -3.832 12.304 478 HH22 ARG 58 2HH2 ARG 58 6.177 -4.690 13.511 479 H ALA 59 H ALA 59 6.185 -3.971 4.931 480 HA ALA 59 HA ALA 59 5.751 -6.683 5.560 481 HB1 ALA 59 1HB ALA 59 3.699 -6.488 4.176 482 HB2 ALA 59 2HB ALA 59 4.281 -4.946 3.534 483 HB3 ALA 59 3HB ALA 59 3.892 -5.099 5.246 484 H LYS 60 H LYS 60 6.347 -8.467 4.580 485 HA LYS 60 HA LYS 60 8.279 -8.445 2.521 486 HB2 LYS 60 2HB LYS 60 6.827 -10.842 3.722 487 HB3 LYS 60 3HB LYS 60 8.314 -10.900 2.773 488 HG2 LYS 60 2HG LYS 60 9.463 -9.557 4.525 489 HG3 LYS 60 3HG LYS 60 7.983 -9.580 5.493 490 HD2 LYS 60 2HD LYS 60 8.111 -12.083 5.544 491 HD3 LYS 60 3HD LYS 60 9.638 -12.002 4.658 492 HE2 LYS 60 2HE LYS 60 10.100 -12.310 7.022 493 HE3 LYS 60 3HE LYS 60 10.614 -10.692 6.552 494 HZ1 LYS 60 1HZ LYS 60 9.456 -10.702 8.666 495 HZ2 LYS 60 2HZ LYS 60 8.073 -11.354 7.948 496 HZ3 LYS 60 3HZ LYS 60 8.596 -9.806 7.524 497 H TRP 61 H TRP 61 4.844 -9.329 2.563 498 HA TRP 61 HA TRP 61 4.705 -10.444 -0.039 499 HB2 TRP 61 2HB TRP 61 2.250 -10.206 0.170 500 HB3 TRP 61 3HB TRP 61 2.956 -10.879 1.632 501 HD1 TRP 61 HD1 TRP 61 2.765 -9.412 3.873 502 HE1 TRP 61 HE1 TRP 61 1.327 -7.378 4.497 503 HE3 TRP 61 HE3 TRP 61 1.215 -8.045 -0.802 504 HZ2 TRP 61 HZ2 TRP 61 -0.250 -5.457 3.195 505 HZ3 TRP 61 HZ3 TRP 61 -0.254 -6.089 -1.033 506 HH2 TRP 61 HH2 TRP 61 -0.973 -4.823 0.924 507 H LEU 62 H LEU 62 4.560 -7.133 1.129 508 HA LEU 62 HA LEU 62 3.519 -5.889 -1.222 509 HB2 LEU 62 2HB LEU 62 3.421 -4.852 1.023 510 HB3 LEU 62 3HB LEU 62 5.175 -4.751 1.053 511 HG LEU 62 HG LEU 62 4.994 -3.203 -1.006 512 HD11 LEU 62 1HD1 LEU 62 2.852 -2.025 -1.345 513 HD12 LEU 62 2HD1 LEU 62 2.062 -3.163 -0.250 514 HD13 LEU 62 3HD1 LEU 62 2.767 -3.736 -1.762 515 HD21 LEU 62 1HD2 LEU 62 3.831 -2.233 1.611 516 HD22 LEU 62 2HD2 LEU 62 4.488 -1.214 0.326 517 HD23 LEU 62 3HD2 LEU 62 5.539 -2.333 1.180 518 H GLN 63 H GLN 63 6.724 -6.889 -0.185 519 HA GLN 63 HA GLN 63 8.348 -5.369 -1.890 520 HB2 GLN 63 2HB GLN 63 8.810 -8.188 -0.841 521 HB3 GLN 63 3HB GLN 63 10.042 -7.193 -1.616 522 HG2 GLN 63 2HG GLN 63 9.814 -5.519 0.211 523 HG3 GLN 63 3HG GLN 63 8.633 -6.565 1.000 524 HE21 GLN 63 1HE2 GLN 63 12.010 -6.247 0.080 525 HE22 GLN 63 2HE2 GLN 63 12.615 -7.423 1.191 526 H ARG 64 H ARG 64 6.338 -8.150 -2.571 527 HA ARG 64 HA ARG 64 7.373 -8.898 -5.104 528 HB2 ARG 64 2HB ARG 64 4.625 -9.221 -3.835 529 HB3 ARG 64 3HB ARG 64 4.910 -9.713 -5.497 530 HG2 ARG 64 2HG ARG 64 5.074 -11.669 -4.115 531 HG3 ARG 64 3HG ARG 64 6.687 -11.275 -4.702 532 HD2 ARG 64 2HD ARG 64 7.306 -10.363 -2.524 533 HD3 ARG 64 3HD ARG 64 5.661 -10.590 -1.918 534 HE ARG 64 HE ARG 64 6.433 -13.090 -2.714 535 HH11 ARG 64 1HH1 ARG 64 7.851 -10.769 -0.478 536 HH12 ARG 64 2HH1 ARG 64 8.563 -11.992 0.516 537 HH21 ARG 64 1HH2 ARG 64 7.398 -14.667 -1.387 538 HH22 ARG 64 2HH2 ARG 64 8.308 -14.183 0.003 539 H LEU 65 H LEU 65 4.974 -6.487 -4.091 540 HA LEU 65 HA LEU 65 4.179 -5.613 -6.692 541 HB2 LEU 65 2HB LEU 65 3.876 -4.430 -3.908 542 HB3 LEU 65 3HB LEU 65 3.446 -3.473 -5.307 543 HG LEU 65 HG LEU 65 1.456 -4.466 -4.273 544 HD11 LEU 65 1HD1 LEU 65 0.350 -5.317 -6.218 545 HD12 LEU 65 2HD1 LEU 65 1.871 -5.769 -6.981 546 HD13 LEU 65 3HD1 LEU 65 1.474 -4.065 -6.736 547 HD21 LEU 65 1HD2 LEU 65 0.985 -6.868 -4.257 548 HD22 LEU 65 2HD2 LEU 65 2.420 -6.514 -3.299 549 HD23 LEU 65 3HD2 LEU 65 2.585 -7.215 -4.914 550 H LEU 66 H LEU 66 6.594 -4.514 -4.333 551 HA LEU 66 HA LEU 66 7.544 -2.235 -5.730 552 HB2 LEU 66 2HB LEU 66 9.092 -3.997 -3.783 553 HB3 LEU 66 3HB LEU 66 9.523 -2.359 -4.254 554 HG LEU 66 HG LEU 66 7.116 -3.191 -2.576 555 HD11 LEU 66 1HD1 LEU 66 9.527 -1.522 -1.798 556 HD12 LEU 66 2HD1 LEU 66 9.264 -3.210 -1.358 557 HD13 LEU 66 3HD1 LEU 66 8.171 -1.964 -0.760 558 HD21 LEU 66 1HD2 LEU 66 6.601 -0.786 -2.338 559 HD22 LEU 66 2HD2 LEU 66 6.438 -1.329 -4.005 560 HD23 LEU 66 3HD2 LEU 66 7.857 -0.396 -3.515 561 H ARG 67 H ARG 67 8.322 -5.668 -5.988 562 HA ARG 67 HA ARG 67 10.568 -5.333 -7.773 563 HB2 ARG 67 2HB ARG 67 10.379 -7.317 -6.302 564 HB3 ARG 67 3HB ARG 67 8.904 -7.805 -7.129 565 HG2 ARG 67 2HG ARG 67 10.166 -8.172 -9.211 566 HG3 ARG 67 3HG ARG 67 11.648 -7.622 -8.428 567 HD2 ARG 67 2HD ARG 67 11.602 -9.540 -6.916 568 HD3 ARG 67 3HD ARG 67 10.044 -10.059 -7.571 569 HE ARG 67 HE ARG 67 11.466 -10.099 -9.783 570 HH11 ARG 67 1HH1 ARG 67 12.463 -11.285 -6.625 571 HH12 ARG 67 2HH1 ARG 67 13.517 -12.497 -7.282 572 HH21 ARG 67 1HH2 ARG 67 12.817 -11.703 -10.639 573 HH22 ARG 67 2HH2 ARG 67 13.705 -12.731 -9.561 574 H HIS 68 H HIS 68 7.084 -5.845 -8.139 575 HA HIS 68 HA HIS 68 7.108 -6.525 -10.912 576 HB2 HIS 68 2HB HIS 68 4.879 -5.512 -9.106 577 HB3 HIS 68 3HB HIS 68 4.610 -5.891 -10.803 578 HD1 HIS 68 HD1 HIS 68 6.405 -8.554 -10.763 579 HD2 HIS 68 HD2 HIS 68 3.313 -7.612 -8.139 580 HE1 HIS 68 HE1 HIS 68 5.588 -10.747 -9.859 581 HE2 HIS 68 HE2 HIS 68 3.657 -10.150 -8.367 582 H VAL 69 H VAL 69 7.220 -3.440 -9.231 583 HA VAL 69 HA VAL 69 6.650 -1.923 -11.695 584 HB VAL 69 HB VAL 69 6.769 0.119 -10.375 585 HG11 VAL 69 1HG1 VAL 69 4.630 -1.079 -10.365 586 HG12 VAL 69 2HG1 VAL 69 4.873 -0.233 -8.836 587 HG13 VAL 69 3HG1 VAL 69 5.112 -1.981 -8.926 588 HG21 VAL 69 1HG2 VAL 69 7.212 0.156 -7.951 589 HG22 VAL 69 2HG2 VAL 69 8.605 -0.465 -8.840 590 HG23 VAL 69 3HG2 VAL 69 7.545 -1.575 -7.971 591 H GLN 70 H GLN 70 9.364 -3.283 -10.216 592 HA GLN 70 HA GLN 70 11.419 -1.382 -10.722 593 HB2 GLN 70 2HB GLN 70 11.689 -3.226 -9.126 594 HB3 GLN 70 3HB GLN 70 11.489 -4.417 -10.401 595 HG2 GLN 70 2HG GLN 70 13.827 -4.275 -9.742 596 HG3 GLN 70 3HG GLN 70 13.639 -3.704 -11.399 597 HE21 GLN 70 1HE2 GLN 70 15.562 -2.517 -11.351 598 HE22 GLN 70 2HE2 GLN 70 15.764 -1.083 -10.409 599 H SER 71 H SER 71 13.094 -1.470 -12.369 600 HA SER 71 HA SER 71 12.363 -1.699 -15.054 601 HB2 SER 71 2HB SER 71 15.163 -1.955 -13.861 602 HB3 SER 71 3HB SER 71 14.787 -1.506 -15.529 603 HG SER 71 HG SER 71 15.164 0.354 -14.365 604 H LYS 72 H LYS 72 12.823 -3.203 -16.660 605 HA LYS 72 HA LYS 72 13.180 -5.126 -17.763 606 HB2 LYS 72 2HB LYS 72 15.234 -5.429 -16.342 607 HB3 LYS 72 3HB LYS 72 14.269 -6.335 -15.189 608 HG2 LYS 72 2HG LYS 72 13.811 -8.020 -16.985 609 HG3 LYS 72 3HG LYS 72 14.903 -7.144 -18.049 610 HD2 LYS 72 2HD LYS 72 15.718 -8.383 -15.389 611 HD3 LYS 72 3HD LYS 72 15.897 -9.184 -16.947 612 HE2 LYS 72 2HE LYS 72 18.035 -8.277 -16.411 613 HE3 LYS 72 3HE LYS 72 17.366 -7.237 -17.661 614 HZ1 LYS 72 1HZ LYS 72 16.846 -5.596 -16.028 615 HZ2 LYS 72 2HZ LYS 72 18.459 -6.044 -15.818 616 HZ3 LYS 72 3HZ LYS 72 17.281 -6.622 -14.759 617 H SER 73 H SER 73 10.949 -4.712 -15.323 618 HA SER 73 HA SER 73 9.751 -7.349 -15.277 619 HB2 SER 73 2HB SER 73 7.969 -6.284 -13.961 620 HB3 SER 73 3HB SER 73 9.532 -5.737 -13.355 621 HG SER 73 HG SER 73 8.656 -3.840 -13.622 622 H LEU 74 H LEU 74 7.742 -7.933 -16.254 623 HA LEU 74 HA LEU 74 7.240 -6.659 -18.849 624 HB2 LEU 74 2HB LEU 74 5.952 -8.603 -19.443 625 HB3 LEU 74 3HB LEU 74 7.471 -9.134 -18.753 626 HG LEU 74 HG LEU 74 4.913 -9.097 -17.095 627 HD11 LEU 74 1HD1 LEU 74 5.896 -11.390 -18.820 628 HD12 LEU 74 2HD1 LEU 74 4.416 -10.453 -19.055 629 HD13 LEU 74 3HD1 LEU 74 4.591 -11.476 -17.632 630 HD21 LEU 74 1HD2 LEU 74 7.013 -9.329 -15.829 631 HD22 LEU 74 2HD2 LEU 74 7.461 -10.727 -16.807 632 HD23 LEU 74 3HD2 LEU 74 6.054 -10.808 -15.746 633 H SER 75 H SER 75 6.347 -5.551 -16.144 634 HA SER 75 HA SER 75 3.471 -5.354 -16.305 635 HB2 SER 75 2HB SER 75 3.735 -3.767 -14.433 636 HB3 SER 75 3HB SER 75 4.734 -5.194 -14.139 637 HG SER 75 HG SER 75 6.443 -3.981 -14.207 638 H SER 76 H SER 76 2.491 -3.093 -16.425 639 HA SER 76 HA SER 76 3.463 -1.608 -18.732 640 HB2 SER 76 2HB SER 76 1.034 -1.155 -16.931 641 HB3 SER 76 3HB SER 76 1.372 -0.281 -18.432 642 HG SER 76 HG SER 76 1.323 -3.077 -18.495 643 H THR 77 H THR 77 5.413 -0.803 -17.975 644 HA THR 77 HA THR 77 5.457 1.188 -15.823 645 HB THR 77 HB THR 77 7.892 1.275 -16.203 646 HG1 THR 77 HG1 THR 77 8.099 1.015 -18.402 647 HG21 THR 77 1HG2 THR 77 7.099 -0.577 -14.766 648 HG22 THR 77 2HG2 THR 77 8.548 -1.036 -15.663 649 HG23 THR 77 3HG2 THR 77 6.970 -1.621 -16.190 650 HA PRO 78 HA PRO 78 5.352 4.623 -18.891 651 HB2 PRO 78 2HB PRO 78 6.717 6.585 -17.528 652 HB3 PRO 78 3HB PRO 78 5.074 6.094 -17.069 653 HG2 PRO 78 2HG PRO 78 7.698 5.244 -15.864 654 HG3 PRO 78 3HG PRO 78 6.206 5.766 -15.047 655 HD2 PRO 78 2HD PRO 78 6.836 3.135 -15.325 656 HD3 PRO 78 3HD PRO 78 5.151 3.707 -15.348 657 H GLN 79 H GLN 79 7.246 6.334 -19.685 658 HA GLN 79 HA GLN 79 9.292 4.802 -20.956 659 HB2 GLN 79 2HB GLN 79 9.000 7.836 -20.673 660 HB3 GLN 79 3HB GLN 79 10.245 7.053 -21.642 661 HG2 GLN 79 2HG GLN 79 8.415 6.017 -23.033 662 HG3 GLN 79 3HG GLN 79 7.246 6.990 -22.144 663 HE21 GLN 79 1HE2 GLN 79 9.830 7.043 -24.477 664 HE22 GLN 79 2HE2 GLN 79 9.541 8.648 -25.044 665 H ALA 80 H ALA 80 10.831 3.869 -19.700 666 HA ALA 80 HA ALA 80 11.842 4.915 -17.242 667 HB1 ALA 80 1HB ALA 80 11.872 2.493 -17.720 668 HB2 ALA 80 2HB ALA 80 13.505 3.072 -17.387 669 HB3 ALA 80 3HB ALA 80 13.002 2.753 -19.049 670 HA PRO 81 HA PRO 81 14.705 7.719 -19.515 671 HB2 PRO 81 2HB PRO 81 15.150 9.537 -17.570 672 HB3 PRO 81 3HB PRO 81 13.543 9.395 -18.309 673 HG2 PRO 81 2HG PRO 81 14.497 8.318 -15.672 674 HG3 PRO 81 3HG PRO 81 12.962 9.123 -16.063 675 HD2 PRO 81 2HD PRO 81 13.287 6.354 -15.918 676 HD3 PRO 81 3HD PRO 81 11.982 7.172 -16.807 677 H VAL 82 H VAL 82 17.001 8.738 -18.747 678 HA VAL 82 HA VAL 82 18.754 6.638 -18.089 679 HB VAL 82 HB VAL 82 19.604 8.517 -19.422 680 HG11 VAL 82 1HG1 VAL 82 19.402 10.231 -16.925 681 HG12 VAL 82 2HG1 VAL 82 18.576 10.497 -18.459 682 HG13 VAL 82 3HG1 VAL 82 20.323 10.674 -18.361 683 HG21 VAL 82 1HG2 VAL 82 21.148 8.161 -16.825 684 HG22 VAL 82 2HG2 VAL 82 21.832 8.731 -18.351 685 HG23 VAL 82 3HG2 VAL 82 21.205 7.084 -18.220 686 H SER 83 H SER 83 18.144 5.658 -16.263 687 HA SER 83 HA SER 83 17.862 6.927 -13.700 688 HB2 SER 83 2HB SER 83 17.804 4.522 -12.882 689 HB3 SER 83 3HB SER 83 16.609 4.896 -14.124 690 HG SER 83 HG SER 83 17.966 2.886 -14.326 691 H LYS 84 H LYS 84 19.436 7.317 -12.252 692 HA LYS 84 HA LYS 84 22.135 7.400 -12.840 693 HB2 LYS 84 2HB LYS 84 22.403 7.679 -10.269 694 HB3 LYS 84 3HB LYS 84 21.411 8.842 -11.138 695 HG2 LYS 84 2HG LYS 84 19.359 7.608 -10.408 696 HG3 LYS 84 3HG LYS 84 20.391 6.520 -9.476 697 HD2 LYS 84 2HD LYS 84 19.460 8.199 -7.982 698 HD3 LYS 84 3HD LYS 84 21.197 8.462 -8.137 699 HE2 LYS 84 2HE LYS 84 20.740 10.274 -9.786 700 HE3 LYS 84 3HE LYS 84 19.011 10.031 -9.544 701 HZ1 LYS 84 1HZ LYS 84 19.953 11.884 -8.241 702 HZ2 LYS 84 2HZ LYS 84 20.906 10.781 -7.382 703 HZ3 LYS 84 3HZ LYS 84 19.216 10.704 -7.282 704 H ARG 85 H ARG 85 23.540 5.816 -13.141 705 HA ARG 85 HA ARG 85 22.808 3.103 -13.027 706 HB2 ARG 85 2HB ARG 85 24.244 4.101 -14.751 707 HB3 ARG 85 3HB ARG 85 25.507 4.409 -13.565 708 HG2 ARG 85 2HG ARG 85 25.880 2.018 -13.292 709 HG3 ARG 85 3HG ARG 85 24.525 1.645 -14.361 710 HD2 ARG 85 2HD ARG 85 27.037 3.151 -15.211 711 HD3 ARG 85 3HD ARG 85 26.752 1.426 -15.473 712 HE ARG 85 HE ARG 85 24.798 2.071 -16.842 713 HH11 ARG 85 1HH1 ARG 85 27.345 4.468 -16.432 714 HH12 ARG 85 2HH1 ARG 85 26.947 5.310 -17.894 715 HH21 ARG 85 1HH2 ARG 85 24.278 3.183 -18.722 716 HH22 ARG 85 2HH2 ARG 85 25.199 4.575 -19.193 717 H ARG 86 H ARG 86 22.443 2.290 -11.057 718 HA ARG 86 HA ARG 86 22.686 1.332 -9.045 719 HB2 ARG 86 2HB ARG 86 25.606 1.270 -9.863 720 HB3 ARG 86 3HB ARG 86 25.069 0.606 -8.329 721 HG2 ARG 86 2HG ARG 86 25.166 -1.278 -9.694 722 HG3 ARG 86 3HG ARG 86 23.456 -0.859 -9.752 723 HD2 ARG 86 2HD ARG 86 24.137 -1.426 -11.980 724 HD3 ARG 86 3HD ARG 86 23.932 0.331 -11.945 725 HE ARG 86 HE ARG 86 26.515 0.241 -11.492 726 HH11 ARG 86 1HH1 ARG 86 24.728 -1.746 -13.812 727 HH12 ARG 86 2HH1 ARG 86 26.088 -1.923 -14.872 728 HH21 ARG 86 1HH2 ARG 86 28.262 0.003 -12.908 729 HH22 ARG 86 2HH2 ARG 86 28.084 -0.937 -14.361 730 H ALA 87 H ALA 87 23.086 4.360 -9.405 731 HA ALA 87 HA ALA 87 24.385 5.052 -6.829 732 HB1 ALA 87 1HB ALA 87 23.840 6.789 -9.276 733 HB2 ALA 87 2HB ALA 87 25.396 6.079 -8.834 734 HB3 ALA 87 3HB ALA 87 24.663 7.308 -7.802 735 H ALA 88 H ALA 88 23.363 6.999 -5.720 736 HA ALA 88 HA ALA 88 20.487 7.390 -6.116 737 HB1 ALA 88 1HB ALA 88 19.886 6.793 -3.802 738 HB2 ALA 88 2HB ALA 88 21.547 6.292 -3.471 739 HB3 ALA 88 3HB ALA 88 20.566 5.401 -4.639 Start of MODEL 9 1 H1 ILE 1 1H ILE 1 -10.249 16.572 30.636 2 H2 ILE 1 2H ILE 1 -10.407 17.604 31.967 3 H3 ILE 1 3H ILE 1 -8.879 17.086 31.473 4 HA ILE 1 HA ILE 1 -10.693 18.729 29.832 5 HB ILE 1 HB ILE 1 -9.061 20.631 30.335 6 HG12 ILE 1 2HG1 ILE 1 -8.089 18.757 32.554 7 HG13 ILE 1 3HG1 ILE 1 -7.134 19.318 31.191 8 HG21 ILE 1 1HG2 ILE 1 -10.069 21.216 32.511 9 HG22 ILE 1 2HG2 ILE 1 -10.589 19.545 32.732 10 HG23 ILE 1 3HG2 ILE 1 -11.275 20.516 31.428 11 HD11 ILE 1 1HD1 ILE 1 -6.511 20.503 33.203 12 HD12 ILE 1 2HD1 ILE 1 -8.174 21.022 33.463 13 HD13 ILE 1 3HD1 ILE 1 -7.268 21.624 32.074 14 H LEU 2 H LEU 2 -10.240 18.341 27.735 15 HA LEU 2 HA LEU 2 -7.723 17.028 26.988 16 HB2 LEU 2 2HB LEU 2 -8.915 16.670 24.754 17 HB3 LEU 2 3HB LEU 2 -9.566 15.850 26.150 18 HG LEU 2 HG LEU 2 -11.387 17.619 26.267 19 HD11 LEU 2 1HD1 LEU 2 -10.353 19.430 25.012 20 HD12 LEU 2 2HD1 LEU 2 -11.889 18.967 24.288 21 HD13 LEU 2 3HD1 LEU 2 -10.374 18.456 23.540 22 HD21 LEU 2 1HD2 LEU 2 -12.733 16.646 24.443 23 HD22 LEU 2 2HD2 LEU 2 -11.843 15.413 25.331 24 HD23 LEU 2 3HD2 LEU 2 -11.274 15.935 23.743 25 H GLU 3 H GLU 3 -8.015 20.005 27.525 26 HA GLU 3 HA GLU 3 -7.474 21.447 25.145 27 HB2 GLU 3 2HB GLU 3 -6.804 23.268 26.622 28 HB3 GLU 3 3HB GLU 3 -8.239 22.486 27.265 29 HG2 GLU 3 2HG GLU 3 -6.862 21.273 28.922 30 HG3 GLU 3 3HG GLU 3 -5.411 22.035 28.268 31 H ALA 4 H ALA 4 -5.414 22.656 24.775 32 HA ALA 4 HA ALA 4 -3.246 22.813 24.188 33 HB1 ALA 4 1HB ALA 4 -1.454 21.777 25.500 34 HB2 ALA 4 2HB ALA 4 -2.618 20.738 26.326 35 HB3 ALA 4 3HB ALA 4 -2.667 22.484 26.567 36 H HIS 5 H HIS 5 -5.165 20.472 23.338 37 HA HIS 5 HA HIS 5 -3.216 18.812 21.866 38 HB2 HIS 5 2HB HIS 5 -6.200 18.454 22.420 39 HB3 HIS 5 3HB HIS 5 -5.292 17.433 21.301 40 HD1 HIS 5 HD1 HIS 5 -5.315 18.386 24.977 41 HD2 HIS 5 HD2 HIS 5 -4.031 15.310 22.512 42 HE1 HIS 5 HE1 HIS 5 -4.488 16.598 26.522 43 HE2 HIS 5 HE2 HIS 5 -3.935 14.671 25.008 44 H TYR 6 H TYR 6 -2.939 19.082 19.781 45 HA TYR 6 HA TYR 6 -4.815 20.654 18.139 46 HB2 TYR 6 2HB TYR 6 -2.856 21.802 17.082 47 HB3 TYR 6 3HB TYR 6 -3.042 22.208 18.779 48 HD1 TYR 6 HD1 TYR 6 -1.504 20.967 20.488 49 HD2 TYR 6 HD2 TYR 6 -0.735 21.021 16.278 50 HE1 TYR 6 HE1 TYR 6 0.846 20.375 20.905 51 HE2 TYR 6 HE2 TYR 6 1.611 20.420 16.705 52 HH TYR 6 HH TYR 6 3.262 20.658 18.608 53 H THR 7 H THR 7 -5.091 19.855 16.090 54 HA THR 7 HA THR 7 -4.248 17.150 15.594 55 HB THR 7 HB THR 7 -5.605 17.419 13.450 56 HG1 THR 7 HG1 THR 7 -6.705 19.328 13.137 57 HG21 THR 7 1HG2 THR 7 -7.033 18.164 16.036 58 HG22 THR 7 2HG2 THR 7 -6.678 16.523 15.488 59 HG23 THR 7 3HG2 THR 7 -7.805 17.532 14.579 60 H ASN 8 H ASN 8 -1.971 17.387 15.434 61 HA ASN 8 HA ASN 8 -0.663 18.818 13.337 62 HB2 ASN 8 2HB ASN 8 0.578 18.056 15.332 63 HB3 ASN 8 3HB ASN 8 0.243 16.374 14.940 64 HD21 ASN 8 1HD2 ASN 8 2.381 15.756 14.747 65 HD22 ASN 8 2HD2 ASN 8 3.417 16.312 13.483 66 H LEU 9 H LEU 9 -1.347 18.447 11.301 67 HA LEU 9 HA LEU 9 -2.201 15.965 10.221 68 HB2 LEU 9 2HB LEU 9 -1.120 18.400 8.734 69 HB3 LEU 9 3HB LEU 9 -2.045 17.089 8.025 70 HG LEU 9 HG LEU 9 -3.081 19.130 10.033 71 HD11 LEU 9 1HD1 LEU 9 -4.497 19.928 8.195 72 HD12 LEU 9 2HD1 LEU 9 -3.757 18.762 7.098 73 HD13 LEU 9 3HD1 LEU 9 -2.787 20.064 7.790 74 HD21 LEU 9 1HD2 LEU 9 -4.160 16.985 10.455 75 HD22 LEU 9 2HD2 LEU 9 -4.579 16.824 8.748 76 HD23 LEU 9 3HD2 LEU 9 -5.302 18.109 9.719 77 H LYS 10 H LYS 10 -0.927 14.280 10.061 78 HA LYS 10 HA LYS 10 1.701 14.447 8.766 79 HB2 LYS 10 2HB LYS 10 2.719 12.936 10.497 80 HB3 LYS 10 3HB LYS 10 2.263 14.500 11.139 81 HG2 LYS 10 2HG LYS 10 1.549 13.129 12.855 82 HG3 LYS 10 3HG LYS 10 0.067 13.232 11.904 83 HD2 LYS 10 2HD LYS 10 0.599 11.056 10.850 84 HD3 LYS 10 3HD LYS 10 2.081 10.953 11.803 85 HE2 LYS 10 2HE LYS 10 0.331 9.580 12.804 86 HE3 LYS 10 3HE LYS 10 0.732 10.920 13.876 87 HZ1 LYS 10 1HZ LYS 10 -1.610 10.836 12.046 88 HZ2 LYS 10 2HZ LYS 10 -1.235 12.083 13.122 89 HZ3 LYS 10 3HZ LYS 10 -1.659 10.557 13.714 90 H CYS 11 H CYS 11 2.273 11.640 8.889 91 HA CYS 11 HA CYS 11 0.625 10.649 6.823 92 HB2 CYS 11 2HB CYS 11 2.519 9.081 8.624 93 HB3 CYS 11 3HB CYS 11 1.955 8.589 7.029 94 H ARG 12 H ARG 12 -1.456 10.016 7.112 95 HA ARG 12 HA ARG 12 -2.316 9.057 9.756 96 HB2 ARG 12 2HB ARG 12 -4.653 9.334 8.987 97 HB3 ARG 12 3HB ARG 12 -3.732 10.823 8.951 98 HG2 ARG 12 2HG ARG 12 -3.675 10.838 6.547 99 HG3 ARG 12 3HG ARG 12 -4.280 9.178 6.458 100 HD2 ARG 12 2HD ARG 12 -6.010 10.893 5.925 101 HD3 ARG 12 3HD ARG 12 -6.452 9.902 7.319 102 HE ARG 12 HE ARG 12 -5.218 12.080 8.413 103 HH11 ARG 12 1HH1 ARG 12 -7.977 11.730 6.240 104 HH12 ARG 12 2HH1 ARG 12 -8.760 13.171 6.822 105 HH21 ARG 12 1HH2 ARG 12 -6.290 13.905 9.216 106 HH22 ARG 12 2HH2 ARG 12 -7.800 14.400 8.508 107 H CYS 13 H CYS 13 -2.537 6.993 10.153 108 HA CYS 13 HA CYS 13 -2.326 5.042 7.965 109 HB2 CYS 13 2HB CYS 13 -0.802 4.925 9.958 110 HB3 CYS 13 3HB CYS 13 -2.197 4.569 10.973 111 H SER 14 H SER 14 -4.160 4.355 7.127 112 HA SER 14 HA SER 14 -6.762 4.509 8.022 113 HB2 SER 14 2HB SER 14 -6.231 3.983 5.700 114 HB3 SER 14 3HB SER 14 -5.469 2.458 6.166 115 HG SER 14 HG SER 14 -8.078 2.994 5.652 116 H GLY 15 H GLY 15 -4.362 2.050 8.761 117 HA2 GLY 15 2HA GLY 15 -5.124 1.299 11.227 118 HA3 GLY 15 3HA GLY 15 -6.172 0.311 10.206 119 H VAL 16 H VAL 16 -4.867 -1.336 11.467 120 HA VAL 16 HA VAL 16 -2.369 -2.068 10.059 121 HB VAL 16 HB VAL 16 -3.554 -3.253 12.621 122 HG11 VAL 16 1HG1 VAL 16 -2.179 -4.886 11.396 123 HG12 VAL 16 2HG1 VAL 16 -1.395 -4.401 12.900 124 HG13 VAL 16 3HG1 VAL 16 -0.832 -3.743 11.364 125 HG21 VAL 16 1HG2 VAL 16 -1.759 -2.089 13.844 126 HG22 VAL 16 2HG2 VAL 16 -2.809 -0.942 13.008 127 HG23 VAL 16 3HG2 VAL 16 -1.220 -1.327 12.345 128 H ILE 17 H ILE 17 -2.461 -3.691 8.603 129 HA ILE 17 HA ILE 17 -4.764 -5.560 8.650 130 HB ILE 17 HB ILE 17 -4.203 -5.961 6.129 131 HG12 ILE 17 2HG1 ILE 17 -3.443 -3.847 4.911 132 HG13 ILE 17 3HG1 ILE 17 -2.892 -3.213 6.449 133 HG21 ILE 17 1HG2 ILE 17 -5.580 -3.388 6.987 134 HG22 ILE 17 2HG2 ILE 17 -6.306 -4.996 6.916 135 HG23 ILE 17 3HG2 ILE 17 -5.787 -4.201 5.432 136 HD11 ILE 17 1HD1 ILE 17 -1.844 -5.674 5.045 137 HD12 ILE 17 2HD1 ILE 17 -1.266 -5.061 6.597 138 HD13 ILE 17 3HD1 ILE 17 -1.057 -4.101 5.135 139 H SER 18 H SER 18 -4.377 -7.732 8.430 140 HA SER 18 HA SER 18 -1.580 -8.712 8.392 141 HB2 SER 18 2HB SER 18 -3.746 -9.581 10.368 142 HB3 SER 18 3HB SER 18 -2.118 -10.247 10.275 143 HG SER 18 HG SER 18 -1.869 -7.620 10.493 144 H THR 19 H THR 19 -3.500 -8.553 6.319 145 HA THR 19 HA THR 19 -4.020 -11.399 5.698 146 HB THR 19 HB THR 19 -5.767 -9.029 4.849 147 HG1 THR 19 HG1 THR 19 -5.821 -10.630 7.116 148 HG21 THR 19 1HG2 THR 19 -6.256 -12.028 4.604 149 HG22 THR 19 2HG2 THR 19 -5.862 -10.939 3.269 150 HG23 THR 19 3HG2 THR 19 -7.383 -10.753 4.141 151 H VAL 20 H VAL 20 -3.295 -12.037 3.713 152 HA VAL 20 HA VAL 20 -1.690 -10.289 2.077 153 HB VAL 20 HB VAL 20 -2.674 -13.137 1.540 154 HG11 VAL 20 1HG1 VAL 20 -0.614 -11.536 -0.009 155 HG12 VAL 20 2HG1 VAL 20 -2.205 -12.017 -0.582 156 HG13 VAL 20 3HG1 VAL 20 -0.977 -13.242 -0.257 157 HG21 VAL 20 1HG2 VAL 20 -1.136 -13.075 3.454 158 HG22 VAL 20 2HG2 VAL 20 0.045 -12.188 2.504 159 HG23 VAL 20 3HG2 VAL 20 -0.355 -13.846 2.075 160 H VAL 21 H VAL 21 -2.671 -8.794 0.839 161 HA VAL 21 HA VAL 21 -5.459 -9.068 0.013 162 HB VAL 21 HB VAL 21 -3.523 -6.734 -0.358 163 HG11 VAL 21 1HG1 VAL 21 -5.507 -5.359 -0.809 164 HG12 VAL 21 2HG1 VAL 21 -6.536 -6.785 -0.673 165 HG13 VAL 21 3HG1 VAL 21 -5.367 -6.667 -1.989 166 HG21 VAL 21 1HG2 VAL 21 -4.684 -5.687 1.549 167 HG22 VAL 21 2HG2 VAL 21 -3.919 -7.205 2.023 168 HG23 VAL 21 3HG2 VAL 21 -5.664 -7.141 1.760 169 H GLY 22 H GLY 22 -6.145 -9.288 -2.086 170 HA2 GLY 22 2HA GLY 22 -4.488 -10.566 -3.981 171 HA3 GLY 22 3HA GLY 22 -6.119 -9.988 -4.256 172 H LEU 23 H LEU 23 -3.162 -9.769 -5.491 173 HA LEU 23 HA LEU 23 -2.613 -7.091 -6.036 174 HB2 LEU 23 2HB LEU 23 -1.155 -9.077 -6.500 175 HB3 LEU 23 3HB LEU 23 -2.165 -9.497 -7.862 176 HG LEU 23 HG LEU 23 -0.783 -6.790 -7.831 177 HD11 LEU 23 1HD1 LEU 23 1.217 -7.747 -8.913 178 HD12 LEU 23 2HD1 LEU 23 0.589 -9.376 -8.646 179 HD13 LEU 23 3HD1 LEU 23 1.017 -8.357 -7.271 180 HD21 LEU 23 1HD2 LEU 23 -1.485 -8.676 -10.100 181 HD22 LEU 23 2HD2 LEU 23 -0.733 -7.086 -10.273 182 HD23 LEU 23 3HD2 LEU 23 -2.373 -7.222 -9.644 183 H ASN 24 H ASN 24 -4.976 -9.258 -7.343 184 HA ASN 24 HA ASN 24 -5.930 -8.083 -9.650 185 HB2 ASN 24 2HB ASN 24 -6.588 -10.320 -8.797 186 HB3 ASN 24 3HB ASN 24 -7.459 -9.569 -7.464 187 HD21 ASN 24 1HD2 ASN 24 -9.587 -9.591 -7.770 188 HD22 ASN 24 2HD2 ASN 24 -10.409 -9.500 -9.287 189 H ILE 25 H ILE 25 -6.595 -7.169 -6.278 190 HA ILE 25 HA ILE 25 -8.568 -5.151 -7.182 191 HB ILE 25 HB ILE 25 -9.503 -5.071 -4.948 192 HG12 ILE 25 2HG1 ILE 25 -7.458 -7.160 -4.070 193 HG13 ILE 25 3HG1 ILE 25 -7.396 -5.456 -3.643 194 HG21 ILE 25 1HG2 ILE 25 -10.447 -7.343 -4.768 195 HG22 ILE 25 2HG2 ILE 25 -9.176 -7.962 -5.823 196 HG23 ILE 25 3HG2 ILE 25 -10.363 -6.818 -6.451 197 HD11 ILE 25 1HD1 ILE 25 -9.574 -7.394 -2.838 198 HD12 ILE 25 2HD1 ILE 25 -9.506 -5.680 -2.418 199 HD13 ILE 25 3HD1 ILE 25 -8.274 -6.781 -1.814 200 H ILE 26 H ILE 26 -5.328 -5.323 -6.294 201 HA ILE 26 HA ILE 26 -5.059 -2.769 -4.994 202 HB ILE 26 HB ILE 26 -2.991 -4.306 -6.649 203 HG12 ILE 26 2HG1 ILE 26 -3.752 -5.644 -4.689 204 HG13 ILE 26 3HG1 ILE 26 -2.065 -5.173 -4.544 205 HG21 ILE 26 1HG2 ILE 26 -1.292 -2.922 -5.398 206 HG22 ILE 26 2HG2 ILE 26 -2.612 -1.949 -4.767 207 HG23 ILE 26 3HG2 ILE 26 -2.308 -1.995 -6.500 208 HD11 ILE 26 1HD1 ILE 26 -4.411 -4.026 -3.058 209 HD12 ILE 26 2HD1 ILE 26 -2.767 -3.385 -2.975 210 HD13 ILE 26 3HD1 ILE 26 -3.106 -5.025 -2.426 211 H ASP 27 H ASP 27 -5.699 -0.912 -5.978 212 HA ASP 27 HA ASP 27 -5.916 -0.686 -8.880 213 HB2 ASP 27 2HB ASP 27 -7.764 0.144 -7.533 214 HB3 ASP 27 3HB ASP 27 -6.705 1.184 -6.598 215 H ARG 28 H ARG 28 -4.377 1.171 -6.227 216 HA ARG 28 HA ARG 28 -2.096 1.894 -7.857 217 HB2 ARG 28 2HB ARG 28 -4.213 3.476 -8.429 218 HB3 ARG 28 3HB ARG 28 -3.727 4.298 -6.954 219 HG2 ARG 28 2HG ARG 28 -2.739 5.450 -8.813 220 HG3 ARG 28 3HG ARG 28 -1.439 4.612 -7.966 221 HD2 ARG 28 2HD ARG 28 -1.451 2.832 -9.663 222 HD3 ARG 28 3HD ARG 28 -2.823 3.597 -10.477 223 HE ARG 28 HE ARG 28 -0.704 5.440 -10.291 224 HH11 ARG 28 1HH1 ARG 28 -1.527 2.490 -12.045 225 HH12 ARG 28 2HH1 ARG 28 -0.549 2.900 -13.416 226 HH21 ARG 28 1HH2 ARG 28 0.527 5.974 -12.127 227 HH22 ARG 28 2HH2 ARG 28 0.610 4.866 -13.461 228 H ILE 29 H ILE 29 -0.403 2.668 -6.562 229 HA ILE 29 HA ILE 29 -0.872 2.649 -3.625 230 HB ILE 29 HB ILE 29 1.728 2.139 -5.172 231 HG12 ILE 29 2HG1 ILE 29 -0.109 0.149 -3.755 232 HG13 ILE 29 3HG1 ILE 29 0.049 0.321 -5.495 233 HG21 ILE 29 1HG2 ILE 29 2.658 1.398 -2.997 234 HG22 ILE 29 2HG2 ILE 29 1.159 1.870 -2.197 235 HG23 ILE 29 3HG2 ILE 29 2.176 3.097 -2.953 236 HD11 ILE 29 1HD1 ILE 29 1.246 -1.614 -4.723 237 HD12 ILE 29 2HD1 ILE 29 2.196 -0.640 -3.603 238 HD13 ILE 29 3HD1 ILE 29 2.384 -0.423 -5.347 239 H GLN 30 H GLN 30 -0.700 4.570 -2.628 240 HA GLN 30 HA GLN 30 0.665 6.862 -3.903 241 HB2 GLN 30 2HB GLN 30 -1.746 7.139 -3.315 242 HB3 GLN 30 3HB GLN 30 -1.379 6.777 -1.633 243 HG2 GLN 30 2HG GLN 30 0.025 8.820 -1.518 244 HG3 GLN 30 3HG GLN 30 -0.384 9.180 -3.194 245 HE21 GLN 30 1HE2 GLN 30 -1.354 11.142 -2.689 246 HE22 GLN 30 2HE2 GLN 30 -2.849 11.270 -1.835 247 H VAL 31 H VAL 31 2.687 7.237 -3.159 248 HA VAL 31 HA VAL 31 3.390 6.543 -0.358 249 HB VAL 31 HB VAL 31 5.271 6.613 -2.768 250 HG11 VAL 31 1HG1 VAL 31 6.987 5.697 -1.240 251 HG12 VAL 31 2HG1 VAL 31 5.859 5.830 0.110 252 HG13 VAL 31 3HG1 VAL 31 6.430 7.286 -0.708 253 HG21 VAL 31 1HG2 VAL 31 4.239 4.211 -1.217 254 HG22 VAL 31 2HG2 VAL 31 5.436 4.158 -2.514 255 HG23 VAL 31 3HG2 VAL 31 3.779 4.657 -2.861 256 H THR 32 H THR 32 3.371 8.402 0.798 257 HA THR 32 HA THR 32 4.481 10.898 -0.234 258 HB THR 32 HB THR 32 3.547 10.313 2.615 259 HG1 THR 32 HG1 THR 32 1.620 10.197 1.797 260 HG21 THR 32 1HG2 THR 32 4.853 12.419 2.351 261 HG22 THR 32 2HG2 THR 32 3.167 12.741 2.758 262 HG23 THR 32 3HG2 THR 32 3.726 12.951 1.099 263 HA PRO 33 HA PRO 33 8.625 9.535 1.294 264 HB2 PRO 33 2HB PRO 33 9.302 12.365 0.514 265 HB3 PRO 33 3HB PRO 33 10.093 10.849 0.040 266 HG2 PRO 33 2HG PRO 33 8.595 12.162 -1.709 267 HG3 PRO 33 3HG PRO 33 8.517 10.383 -1.629 268 HD2 PRO 33 2HD PRO 33 6.599 12.413 -0.479 269 HD3 PRO 33 3HD PRO 33 6.251 10.908 -1.367 270 HA PRO 34 HA PRO 34 8.683 11.165 5.456 271 HB2 PRO 34 2HB PRO 34 11.416 11.344 5.983 272 HB3 PRO 34 3HB PRO 34 10.492 9.833 6.016 273 HG2 PRO 34 2HG PRO 34 12.218 10.921 3.822 274 HG3 PRO 34 3HG PRO 34 12.086 9.254 4.430 275 HD2 PRO 34 2HD PRO 34 10.846 10.000 2.162 276 HD3 PRO 34 3HD PRO 34 10.098 8.841 3.281 277 H GLY 35 H GLY 35 8.229 13.134 6.058 278 HA2 GLY 35 2HA GLY 35 9.097 15.502 6.364 279 HA3 GLY 35 3HA GLY 35 9.317 15.484 4.608 280 H ASN 36 H ASN 36 7.827 17.303 4.609 281 HA ASN 36 HA ASN 36 5.842 18.279 4.087 282 HB2 ASN 36 2HB ASN 36 4.774 15.424 3.807 283 HB3 ASN 36 3HB ASN 36 3.998 16.875 3.182 284 HD21 ASN 36 1HD2 ASN 36 6.487 14.531 2.684 285 HD22 ASN 36 2HD2 ASN 36 6.976 15.071 1.117 286 H GLY 37 H GLY 37 6.494 17.765 6.861 287 HA2 GLY 37 2HA GLY 37 5.469 18.243 8.893 288 HA3 GLY 37 3HA GLY 37 3.894 18.161 8.106 289 H CYS 38 H CYS 38 6.049 15.490 7.613 290 HA CYS 38 HA CYS 38 4.916 13.906 9.831 291 HB2 CYS 38 2HB CYS 38 3.561 13.377 7.822 292 HB3 CYS 38 3HB CYS 38 5.027 13.003 6.918 293 HA PRO 39 HA PRO 39 9.320 12.643 9.817 294 HB2 PRO 39 2HB PRO 39 9.354 11.125 12.059 295 HB3 PRO 39 3HB PRO 39 9.143 12.887 12.151 296 HG2 PRO 39 2HG PRO 39 7.054 10.741 12.320 297 HG3 PRO 39 3HG PRO 39 7.252 12.195 13.326 298 HD2 PRO 39 2HD PRO 39 5.488 12.037 11.205 299 HD3 PRO 39 3HD PRO 39 6.196 13.563 11.783 300 H LYS 40 H LYS 40 6.602 10.724 9.237 301 HA LYS 40 HA LYS 40 8.030 8.157 8.877 302 HB2 LYS 40 2HB LYS 40 5.965 8.196 10.289 303 HB3 LYS 40 3HB LYS 40 5.048 8.856 8.944 304 HG2 LYS 40 2HG LYS 40 4.473 6.556 9.063 305 HG3 LYS 40 3HG LYS 40 5.567 6.702 7.688 306 HD2 LYS 40 2HD LYS 40 6.159 4.709 8.909 307 HD3 LYS 40 3HD LYS 40 7.434 5.892 9.185 308 HE2 LYS 40 2HE LYS 40 6.524 6.404 11.402 309 HE3 LYS 40 3HE LYS 40 5.154 5.328 11.118 310 HZ1 LYS 40 1HZ LYS 40 6.818 4.238 12.468 311 HZ2 LYS 40 2HZ LYS 40 8.010 4.498 11.298 312 HZ3 LYS 40 3HZ LYS 40 6.710 3.467 10.966 313 H THR 41 H THR 41 7.913 7.070 6.839 314 HA THR 41 HA THR 41 7.064 8.499 4.445 315 HB THR 41 HB THR 41 8.004 5.606 4.759 316 HG1 THR 41 HG1 THR 41 9.414 7.805 5.073 317 HG21 THR 41 1HG2 THR 41 6.797 6.011 2.629 318 HG22 THR 41 2HG2 THR 41 8.513 5.714 2.344 319 HG23 THR 41 3HG2 THR 41 7.880 7.359 2.272 320 H GLU 42 H GLU 42 4.888 8.522 3.975 321 HA GLU 42 HA GLU 42 3.047 6.570 5.143 322 HB2 GLU 42 2HB GLU 42 2.416 8.986 5.001 323 HB3 GLU 42 3HB GLU 42 2.505 8.899 3.251 324 HG2 GLU 42 2HG GLU 42 0.646 7.234 3.254 325 HG3 GLU 42 3HG GLU 42 0.549 7.382 5.007 326 H VAL 43 H VAL 43 2.904 4.615 4.161 327 HA VAL 43 HA VAL 43 2.781 4.489 1.200 328 HB VAL 43 HB VAL 43 3.540 2.162 3.034 329 HG11 VAL 43 1HG1 VAL 43 3.842 2.527 0.029 330 HG12 VAL 43 2HG1 VAL 43 2.621 1.538 0.829 331 HG13 VAL 43 3HG1 VAL 43 4.326 1.102 0.954 332 HG21 VAL 43 1HG2 VAL 43 5.899 2.521 2.368 333 HG22 VAL 43 2HG2 VAL 43 5.269 3.901 3.266 334 HG23 VAL 43 3HG2 VAL 43 5.438 3.996 1.513 335 H VAL 44 H VAL 44 0.672 4.592 0.791 336 HA VAL 44 HA VAL 44 -1.226 2.816 2.224 337 HB VAL 44 HB VAL 44 -3.005 4.569 1.887 338 HG11 VAL 44 1HG1 VAL 44 -0.679 5.441 3.642 339 HG12 VAL 44 2HG1 VAL 44 -1.973 4.330 4.085 340 HG13 VAL 44 3HG1 VAL 44 -2.343 6.021 3.780 341 HG21 VAL 44 1HG2 VAL 44 -1.948 5.869 0.072 342 HG22 VAL 44 2HG2 VAL 44 -0.718 6.455 1.195 343 HG23 VAL 44 3HG2 VAL 44 -2.408 6.906 1.423 344 H ILE 45 H ILE 45 -2.560 1.644 0.924 345 HA ILE 45 HA ILE 45 -2.194 1.936 -2.004 346 HB ILE 45 HB ILE 45 -2.986 -0.563 -0.450 347 HG12 ILE 45 2HG1 ILE 45 -0.321 0.099 -1.777 348 HG13 ILE 45 3HG1 ILE 45 -0.611 0.072 -0.043 349 HG21 ILE 45 1HG2 ILE 45 -3.956 -0.536 -2.691 350 HG22 ILE 45 2HG2 ILE 45 -2.670 -1.737 -2.608 351 HG23 ILE 45 3HG2 ILE 45 -2.375 -0.187 -3.398 352 HD11 ILE 45 1HD1 ILE 45 -1.056 -2.328 -0.146 353 HD12 ILE 45 2HD1 ILE 45 0.532 -1.920 -0.773 354 HD13 ILE 45 3HD1 ILE 45 -0.767 -2.316 -1.890 355 H TRP 46 H TRP 46 -3.913 2.717 -3.017 356 HA TRP 46 HA TRP 46 -6.640 2.616 -2.031 357 HB2 TRP 46 2HB TRP 46 -5.414 3.581 -4.670 358 HB3 TRP 46 3HB TRP 46 -7.104 3.794 -4.217 359 HD1 TRP 46 HD1 TRP 46 -3.568 4.917 -3.008 360 HE1 TRP 46 HE1 TRP 46 -3.811 7.221 -1.871 361 HE3 TRP 46 HE3 TRP 46 -8.663 5.428 -3.239 362 HZ2 TRP 46 HZ2 TRP 46 -5.864 9.022 -1.208 363 HZ3 TRP 46 HZ3 TRP 46 -9.686 7.482 -2.337 364 HH2 TRP 46 HH2 TRP 46 -8.311 9.242 -1.339 365 H THR 47 H THR 47 -7.980 0.906 -2.455 366 HA THR 47 HA THR 47 -7.260 -1.227 -4.312 367 HB THR 47 HB THR 47 -9.385 -2.297 -3.459 368 HG1 THR 47 HG1 THR 47 -9.654 -0.519 -1.373 369 HG21 THR 47 1HG2 THR 47 -7.499 -1.318 -1.276 370 HG22 THR 47 2HG2 THR 47 -7.246 -2.739 -2.293 371 HG23 THR 47 3HG2 THR 47 -8.592 -2.699 -1.154 372 H LYS 48 H LYS 48 -9.320 -2.095 -5.680 373 HA LYS 48 HA LYS 48 -10.049 -0.126 -7.611 374 HB2 LYS 48 2HB LYS 48 -11.306 -2.870 -7.157 375 HB3 LYS 48 3HB LYS 48 -11.545 -1.871 -8.583 376 HG2 LYS 48 2HG LYS 48 -8.981 -3.232 -7.716 377 HG3 LYS 48 3HG LYS 48 -9.991 -3.651 -9.094 378 HD2 LYS 48 2HD LYS 48 -8.327 -1.137 -8.763 379 HD3 LYS 48 3HD LYS 48 -7.987 -2.486 -9.834 380 HE2 LYS 48 2HE LYS 48 -10.333 -0.571 -10.087 381 HE3 LYS 48 3HE LYS 48 -8.872 -0.556 -11.067 382 HZ1 LYS 48 1HZ LYS 48 -10.649 -1.616 -12.256 383 HZ2 LYS 48 2HZ LYS 48 -10.907 -2.716 -10.996 384 HZ3 LYS 48 3HZ LYS 48 -9.470 -2.769 -11.885 385 H MET 49 H MET 49 -11.465 -1.160 -4.660 386 HA MET 49 HA MET 49 -14.061 0.088 -4.971 387 HB2 MET 49 2HB MET 49 -12.602 -0.928 -2.482 388 HB3 MET 49 3HB MET 49 -14.303 -0.496 -2.554 389 HG2 MET 49 2HG MET 49 -14.803 -2.383 -3.966 390 HG3 MET 49 3HG MET 49 -13.094 -2.727 -4.201 391 HE1 MET 49 1HE MET 49 -12.020 -4.019 -0.639 392 HE2 MET 49 2HE MET 49 -11.909 -2.361 -1.228 393 HE3 MET 49 3HE MET 49 -11.478 -3.705 -2.290 394 H LYS 50 H LYS 50 -11.032 1.330 -4.746 395 HA LYS 50 HA LYS 50 -9.989 3.207 -4.191 396 HB2 LYS 50 2HB LYS 50 -12.789 4.362 -3.866 397 HB3 LYS 50 3HB LYS 50 -11.318 5.323 -3.891 398 HG2 LYS 50 2HG LYS 50 -12.339 3.615 -6.178 399 HG3 LYS 50 3HG LYS 50 -12.454 5.373 -6.066 400 HD2 LYS 50 2HD LYS 50 -10.017 5.589 -6.142 401 HD3 LYS 50 3HD LYS 50 -9.828 3.834 -6.098 402 HE2 LYS 50 2HE LYS 50 -10.925 3.658 -8.294 403 HE3 LYS 50 3HE LYS 50 -11.137 5.409 -8.339 404 HZ1 LYS 50 1HZ LYS 50 -8.743 5.678 -8.361 405 HZ2 LYS 50 2HZ LYS 50 -9.210 4.667 -9.627 406 HZ3 LYS 50 3HZ LYS 50 -8.509 4.007 -8.239 407 H LYS 51 H LYS 51 -10.998 1.223 -2.075 408 HA LYS 51 HA LYS 51 -11.092 2.814 0.350 409 HB2 LYS 51 2HB LYS 51 -12.363 0.640 0.041 410 HB3 LYS 51 3HB LYS 51 -10.842 -0.231 0.049 411 HG2 LYS 51 2HG LYS 51 -11.642 1.495 2.411 412 HG3 LYS 51 3HG LYS 51 -12.277 -0.138 2.238 413 HD2 LYS 51 2HD LYS 51 -9.998 -1.057 2.284 414 HD3 LYS 51 3HD LYS 51 -9.320 0.572 2.368 415 HE2 LYS 51 2HE LYS 51 -10.481 0.887 4.568 416 HE3 LYS 51 3HE LYS 51 -11.033 -0.789 4.483 417 HZ1 LYS 51 1HZ LYS 51 -9.083 -0.709 5.817 418 HZ2 LYS 51 2HZ LYS 51 -8.221 0.154 4.641 419 HZ3 LYS 51 3HZ LYS 51 -8.667 -1.458 4.357 420 H VAL 52 H VAL 52 -9.393 3.415 1.477 421 HA VAL 52 HA VAL 52 -6.678 2.904 0.585 422 HB VAL 52 HB VAL 52 -7.749 4.700 2.829 423 HG11 VAL 52 1HG1 VAL 52 -4.946 4.571 1.656 424 HG12 VAL 52 2HG1 VAL 52 -5.419 4.060 3.277 425 HG13 VAL 52 3HG1 VAL 52 -5.516 5.763 2.826 426 HG21 VAL 52 1HG2 VAL 52 -8.497 5.447 0.609 427 HG22 VAL 52 2HG2 VAL 52 -6.836 5.418 0.022 428 HG23 VAL 52 3HG2 VAL 52 -7.310 6.570 1.271 429 H ILE 53 H ILE 53 -5.540 1.230 1.416 430 HA ILE 53 HA ILE 53 -5.947 0.426 4.242 431 HB ILE 53 HB ILE 53 -4.793 -1.685 3.775 432 HG12 ILE 53 2HG1 ILE 53 -4.604 -0.845 0.840 433 HG13 ILE 53 3HG1 ILE 53 -3.252 -0.894 1.961 434 HG21 ILE 53 1HG2 ILE 53 -7.014 -1.213 1.759 435 HG22 ILE 53 2HG2 ILE 53 -7.230 -1.615 3.463 436 HG23 ILE 53 3HG2 ILE 53 -6.490 -2.786 2.371 437 HD11 ILE 53 1HD1 ILE 53 -4.873 -3.264 1.032 438 HD12 ILE 53 2HD1 ILE 53 -3.525 -3.317 2.171 439 HD13 ILE 53 3HD1 ILE 53 -3.252 -2.817 0.504 440 H CYS 54 H CYS 54 -4.060 0.232 5.553 441 HA CYS 54 HA CYS 54 -1.854 2.027 4.753 442 HB2 CYS 54 2HB CYS 54 -3.146 2.911 6.604 443 HB3 CYS 54 3HB CYS 54 -3.033 1.388 7.474 444 H VAL 55 H VAL 55 0.014 1.057 4.362 445 HA VAL 55 HA VAL 55 0.716 -1.464 5.764 446 HB VAL 55 HB VAL 55 1.847 -2.286 3.733 447 HG11 VAL 55 1HG1 VAL 55 -0.114 -2.771 2.309 448 HG12 VAL 55 2HG1 VAL 55 -1.041 -1.539 3.169 449 HG13 VAL 55 3HG1 VAL 55 -0.470 -2.972 4.026 450 HG21 VAL 55 1HG2 VAL 55 0.772 0.171 2.302 451 HG22 VAL 55 2HG2 VAL 55 1.618 -1.180 1.542 452 HG23 VAL 55 3HG2 VAL 55 2.463 -0.146 2.694 453 H ASN 56 H ASN 56 2.933 -1.741 6.187 454 HA ASN 56 HA ASN 56 4.617 0.603 6.353 455 HB2 ASN 56 2HB ASN 56 5.275 -2.339 6.850 456 HB3 ASN 56 3HB ASN 56 6.354 -0.995 7.209 457 HD21 ASN 56 1HD2 ASN 56 5.372 -2.962 9.035 458 HD22 ASN 56 2HD2 ASN 56 4.475 -2.135 10.249 459 HA PRO 57 HA PRO 57 6.576 0.139 2.282 460 HB2 PRO 57 2HB PRO 57 9.189 0.902 2.825 461 HB3 PRO 57 3HB PRO 57 7.851 2.051 2.663 462 HG2 PRO 57 2HG PRO 57 9.042 0.918 5.176 463 HG3 PRO 57 3HG PRO 57 8.602 2.602 4.801 464 HD2 PRO 57 2HD PRO 57 6.982 1.052 6.290 465 HD3 PRO 57 3HD PRO 57 6.306 2.213 5.119 466 H ARG 58 H ARG 58 7.860 -1.399 5.127 467 HA ARG 58 HA ARG 58 9.357 -3.430 3.616 468 HB2 ARG 58 2HB ARG 58 9.372 -2.710 6.579 469 HB3 ARG 58 3HB ARG 58 10.327 -4.003 5.870 470 HG2 ARG 58 2HG ARG 58 10.604 -1.087 5.090 471 HG3 ARG 58 3HG ARG 58 11.597 -1.890 6.301 472 HD2 ARG 58 2HD ARG 58 11.438 -2.706 3.377 473 HD3 ARG 58 3HD ARG 58 12.719 -1.735 4.096 474 HE ARG 58 HE ARG 58 13.231 -3.667 5.536 475 HH11 ARG 58 1HH1 ARG 58 11.510 -4.330 2.519 476 HH12 ARG 58 2HH1 ARG 58 12.062 -5.974 2.441 477 HH21 ARG 58 1HH2 ARG 58 13.919 -5.832 5.410 478 HH22 ARG 58 2HH2 ARG 58 13.419 -6.819 4.072 479 H ALA 59 H ALA 59 6.263 -3.193 4.296 480 HA ALA 59 HA ALA 59 5.541 -5.458 5.819 481 HB1 ALA 59 1HB ALA 59 3.327 -5.289 4.701 482 HB2 ALA 59 2HB ALA 59 4.004 -4.135 3.551 483 HB3 ALA 59 3HB ALA 59 3.906 -3.718 5.256 484 H LYS 60 H LYS 60 5.225 -7.628 5.277 485 HA LYS 60 HA LYS 60 7.211 -8.582 3.511 486 HB2 LYS 60 2HB LYS 60 6.516 -10.859 4.234 487 HB3 LYS 60 3HB LYS 60 6.784 -9.753 5.573 488 HG2 LYS 60 2HG LYS 60 4.326 -9.422 5.770 489 HG3 LYS 60 3HG LYS 60 4.092 -10.610 4.483 490 HD2 LYS 60 2HD LYS 60 5.172 -12.347 5.871 491 HD3 LYS 60 3HD LYS 60 5.453 -11.159 7.150 492 HE2 LYS 60 2HE LYS 60 3.516 -12.522 7.698 493 HE3 LYS 60 3HE LYS 60 3.000 -10.864 7.387 494 HZ1 LYS 60 1HZ LYS 60 2.299 -11.551 5.170 495 HZ2 LYS 60 2HZ LYS 60 1.527 -12.471 6.357 496 HZ3 LYS 60 3HZ LYS 60 2.802 -13.138 5.474 497 H TRP 61 H TRP 61 3.641 -8.565 3.170 498 HA TRP 61 HA TRP 61 3.719 -10.192 0.777 499 HB2 TRP 61 2HB TRP 61 1.318 -9.921 0.663 500 HB3 TRP 61 3HB TRP 61 1.795 -10.290 2.309 501 HD1 TRP 61 HD1 TRP 61 1.297 -8.438 4.179 502 HE1 TRP 61 HE1 TRP 61 -0.221 -6.368 4.184 503 HE3 TRP 61 HE3 TRP 61 0.476 -7.976 -0.865 504 HZ2 TRP 61 HZ2 TRP 61 -1.602 -4.774 2.330 505 HZ3 TRP 61 HZ3 TRP 61 -0.953 -6.135 -1.659 506 HH2 TRP 61 HH2 TRP 61 -1.964 -4.562 -0.090 507 H LEU 62 H LEU 62 4.123 -6.864 1.404 508 HA LEU 62 HA LEU 62 3.148 -5.700 -0.984 509 HB2 LEU 62 2HB LEU 62 3.662 -4.436 1.084 510 HB3 LEU 62 3HB LEU 62 5.368 -4.774 0.877 511 HG LEU 62 HG LEU 62 5.341 -3.389 -1.229 512 HD11 LEU 62 1HD1 LEU 62 2.514 -2.689 -0.416 513 HD12 LEU 62 2HD1 LEU 62 2.996 -3.587 -1.856 514 HD13 LEU 62 3HD1 LEU 62 3.451 -1.896 -1.684 515 HD21 LEU 62 1HD2 LEU 62 6.080 -2.397 0.881 516 HD22 LEU 62 2HD2 LEU 62 4.421 -1.933 1.269 517 HD23 LEU 62 3HD2 LEU 62 5.245 -1.209 -0.114 518 H GLN 63 H GLN 63 6.003 -7.546 -0.261 519 HA GLN 63 HA GLN 63 7.766 -6.887 -2.305 520 HB2 GLN 63 2HB GLN 63 7.216 -9.563 -0.979 521 HB3 GLN 63 3HB GLN 63 8.551 -9.313 -2.092 522 HG2 GLN 63 2HG GLN 63 8.168 -7.884 0.553 523 HG3 GLN 63 3HG GLN 63 9.292 -9.210 0.237 524 HE21 GLN 63 1HE2 GLN 63 11.081 -8.819 -1.156 525 HE22 GLN 63 2HE2 GLN 63 11.670 -7.218 -1.428 526 H ARG 64 H ARG 64 4.735 -8.626 -2.570 527 HA ARG 64 HA ARG 64 5.111 -9.888 -5.083 528 HB2 ARG 64 2HB ARG 64 2.572 -8.836 -3.750 529 HB3 ARG 64 3HB ARG 64 2.565 -9.778 -5.237 530 HG2 ARG 64 2HG ARG 64 3.607 -11.671 -4.035 531 HG3 ARG 64 3HG ARG 64 3.564 -10.742 -2.539 532 HD2 ARG 64 2HD ARG 64 1.137 -10.728 -2.547 533 HD3 ARG 64 3HD ARG 64 1.094 -11.456 -4.158 534 HE ARG 64 HE ARG 64 2.494 -13.051 -2.204 535 HH11 ARG 64 1HH1 ARG 64 -0.681 -12.357 -3.547 536 HH12 ARG 64 2HH1 ARG 64 -1.348 -13.886 -3.082 537 HH21 ARG 64 1HH2 ARG 64 1.614 -15.060 -1.603 538 HH22 ARG 64 2HH2 ARG 64 -0.039 -15.425 -1.973 539 H LEU 65 H LEU 65 3.892 -6.690 -4.161 540 HA LEU 65 HA LEU 65 3.299 -5.847 -6.854 541 HB2 LEU 65 2HB LEU 65 3.216 -4.473 -4.150 542 HB3 LEU 65 3HB LEU 65 3.026 -3.535 -5.615 543 HG LEU 65 HG LEU 65 0.845 -3.999 -4.602 544 HD11 LEU 65 1HD1 LEU 65 0.949 -3.783 -7.051 545 HD12 LEU 65 2HD1 LEU 65 -0.365 -4.830 -6.527 546 HD13 LEU 65 3HD1 LEU 65 1.093 -5.536 -7.205 547 HD21 LEU 65 1HD2 LEU 65 1.382 -6.968 -4.972 548 HD22 LEU 65 2HD2 LEU 65 -0.130 -6.243 -4.425 549 HD23 LEU 65 3HD2 LEU 65 1.317 -6.107 -3.430 550 H LEU 66 H LEU 66 5.885 -5.322 -4.522 551 HA LEU 66 HA LEU 66 7.315 -3.329 -5.964 552 HB2 LEU 66 2HB LEU 66 8.299 -5.261 -3.825 553 HB3 LEU 66 3HB LEU 66 9.204 -3.874 -4.408 554 HG LEU 66 HG LEU 66 6.569 -3.761 -2.891 555 HD11 LEU 66 1HD1 LEU 66 9.355 -3.001 -1.968 556 HD12 LEU 66 2HD1 LEU 66 8.420 -4.404 -1.442 557 HD13 LEU 66 3HD1 LEU 66 7.857 -2.783 -1.054 558 HD21 LEU 66 1HD2 LEU 66 6.662 -1.898 -4.451 559 HD22 LEU 66 2HD2 LEU 66 8.279 -1.463 -3.896 560 HD23 LEU 66 3HD2 LEU 66 6.897 -1.314 -2.807 561 H ARG 67 H ARG 67 7.438 -6.885 -5.934 562 HA ARG 67 HA ARG 67 9.695 -7.070 -7.709 563 HB2 ARG 67 2HB ARG 67 9.132 -8.939 -6.185 564 HB3 ARG 67 3HB ARG 67 7.584 -9.163 -6.997 565 HG2 ARG 67 2HG ARG 67 8.731 -9.828 -9.062 566 HG3 ARG 67 3HG ARG 67 10.295 -9.523 -8.310 567 HD2 ARG 67 2HD ARG 67 9.878 -11.349 -6.694 568 HD3 ARG 67 3HD ARG 67 8.303 -11.642 -7.438 569 HE ARG 67 HE ARG 67 10.685 -11.814 -9.130 570 HH11 ARG 67 1HH1 ARG 67 8.109 -13.552 -7.471 571 HH12 ARG 67 2HH1 ARG 67 8.386 -15.027 -8.351 572 HH21 ARG 67 1HH2 ARG 67 11.055 -13.744 -10.240 573 HH22 ARG 67 2HH2 ARG 67 10.057 -15.127 -9.917 574 H HIS 68 H HIS 68 6.155 -7.097 -8.106 575 HA HIS 68 HA HIS 68 6.154 -8.002 -10.811 576 HB2 HIS 68 2HB HIS 68 4.203 -8.296 -9.332 577 HB3 HIS 68 3HB HIS 68 3.959 -6.555 -9.267 578 HD1 HIS 68 HD1 HIS 68 2.404 -5.619 -10.979 579 HD2 HIS 68 HD2 HIS 68 3.839 -9.350 -12.089 580 HE1 HIS 68 HE1 HIS 68 1.181 -6.215 -13.081 581 HE2 HIS 68 HE2 HIS 68 1.907 -8.564 -13.590 582 H VAL 69 H VAL 69 6.082 -4.716 -9.398 583 HA VAL 69 HA VAL 69 5.841 -3.349 -11.916 584 HB VAL 69 HB VAL 69 5.243 -2.274 -9.725 585 HG11 VAL 69 1HG1 VAL 69 8.229 -2.041 -9.273 586 HG12 VAL 69 2HG1 VAL 69 7.107 -3.025 -8.336 587 HG13 VAL 69 3HG1 VAL 69 6.972 -1.267 -8.303 588 HG21 VAL 69 1HG2 VAL 69 7.264 -0.712 -11.370 589 HG22 VAL 69 2HG2 VAL 69 6.070 -0.012 -10.272 590 HG23 VAL 69 3HG2 VAL 69 5.542 -0.879 -11.715 591 H GLN 70 H GLN 70 8.494 -4.660 -10.071 592 HA GLN 70 HA GLN 70 10.634 -3.474 -11.607 593 HB2 GLN 70 2HB GLN 70 10.848 -4.139 -9.201 594 HB3 GLN 70 3HB GLN 70 10.664 -5.824 -9.663 595 HG2 GLN 70 2HG GLN 70 13.010 -5.317 -9.242 596 HG3 GLN 70 3HG GLN 70 12.773 -5.700 -10.949 597 HE21 GLN 70 1HE2 GLN 70 14.652 -4.608 -11.607 598 HE22 GLN 70 2HE2 GLN 70 14.780 -2.887 -11.575 599 H SER 71 H SER 71 8.538 -6.204 -11.993 600 HA SER 71 HA SER 71 10.176 -7.895 -13.618 601 HB2 SER 71 2HB SER 71 7.129 -7.655 -13.519 602 HB3 SER 71 3HB SER 71 8.028 -8.974 -14.276 603 HG SER 71 HG SER 71 8.763 -8.471 -11.672 604 H LYS 72 H LYS 72 9.779 -8.337 -15.977 605 HA LYS 72 HA LYS 72 10.257 -6.024 -17.524 606 HB2 LYS 72 2HB LYS 72 11.161 -8.272 -18.128 607 HB3 LYS 72 3HB LYS 72 9.531 -8.816 -18.518 608 HG2 LYS 72 2HG LYS 72 9.411 -7.062 -20.295 609 HG3 LYS 72 3HG LYS 72 11.078 -6.615 -19.927 610 HD2 LYS 72 2HD LYS 72 11.784 -8.944 -20.535 611 HD3 LYS 72 3HD LYS 72 10.118 -9.292 -21.008 612 HE2 LYS 72 2HE LYS 72 11.951 -7.217 -22.259 613 HE3 LYS 72 3HE LYS 72 11.436 -8.741 -22.980 614 HZ1 LYS 72 1HZ LYS 72 9.657 -6.456 -22.300 615 HZ2 LYS 72 2HZ LYS 72 9.145 -7.917 -22.977 616 HZ3 LYS 72 3HZ LYS 72 10.164 -6.888 -23.850 617 H SER 73 H SER 73 8.701 -4.544 -17.684 618 HA SER 73 HA SER 73 5.972 -5.289 -18.578 619 HB2 SER 73 2HB SER 73 5.263 -3.204 -17.257 620 HB3 SER 73 3HB SER 73 5.829 -4.560 -16.280 621 HG SER 73 HG SER 73 7.641 -3.499 -15.803 622 H LEU 74 H LEU 74 4.845 -3.497 -19.758 623 HA LEU 74 HA LEU 74 6.512 -2.346 -21.806 624 HB2 LEU 74 2HB LEU 74 3.544 -1.940 -21.249 625 HB3 LEU 74 3HB LEU 74 4.377 -1.413 -22.700 626 HG LEU 74 HG LEU 74 3.927 -4.310 -21.861 627 HD11 LEU 74 1HD1 LEU 74 2.662 -2.727 -24.123 628 HD12 LEU 74 2HD1 LEU 74 1.872 -3.206 -22.618 629 HD13 LEU 74 3HD1 LEU 74 2.395 -4.437 -23.761 630 HD21 LEU 74 1HD2 LEU 74 5.285 -3.221 -24.350 631 HD22 LEU 74 2HD2 LEU 74 4.824 -4.907 -24.095 632 HD23 LEU 74 3HD2 LEU 74 6.034 -4.164 -23.058 633 H SER 75 H SER 75 7.893 -1.094 -20.475 634 HA SER 75 HA SER 75 6.851 1.197 -19.002 635 HB2 SER 75 2HB SER 75 9.324 1.496 -18.451 636 HB3 SER 75 3HB SER 75 8.631 -0.045 -17.938 637 HG SER 75 HG SER 75 10.766 0.184 -19.316 638 H SER 76 H SER 76 7.256 3.340 -19.531 639 HA SER 76 HA SER 76 7.482 4.132 -22.239 640 HB2 SER 76 2HB SER 76 7.581 6.465 -21.241 641 HB3 SER 76 3HB SER 76 6.232 5.489 -20.669 642 HG SER 76 HG SER 76 8.015 6.689 -19.185 643 H THR 77 H THR 77 9.880 3.417 -19.882 644 HA THR 77 HA THR 77 12.026 4.394 -21.665 645 HB THR 77 HB THR 77 12.119 4.237 -18.616 646 HG1 THR 77 HG1 THR 77 11.575 6.283 -20.439 647 HG21 THR 77 1HG2 THR 77 14.204 5.285 -20.576 648 HG22 THR 77 2HG2 THR 77 14.337 3.790 -19.644 649 HG23 THR 77 3HG2 THR 77 14.311 5.345 -18.816 650 HA PRO 78 HA PRO 78 12.882 -0.184 -21.602 651 HB2 PRO 78 2HB PRO 78 14.689 0.680 -23.845 652 HB3 PRO 78 3HB PRO 78 13.476 -0.615 -23.816 653 HG2 PRO 78 2HG PRO 78 13.044 1.639 -25.191 654 HG3 PRO 78 3HG PRO 78 11.718 0.822 -24.327 655 HD2 PRO 78 2HD PRO 78 13.292 3.260 -23.496 656 HD3 PRO 78 3HD PRO 78 11.541 2.950 -23.385 657 H GLN 79 H GLN 79 14.959 -1.288 -21.171 658 HA GLN 79 HA GLN 79 16.944 0.466 -19.841 659 HB2 GLN 79 2HB GLN 79 15.803 -1.314 -18.459 660 HB3 GLN 79 3HB GLN 79 16.523 -2.542 -19.496 661 HG2 GLN 79 2HG GLN 79 18.807 -1.615 -18.820 662 HG3 GLN 79 3HG GLN 79 17.959 -0.625 -17.630 663 HE21 GLN 79 1HE2 GLN 79 18.995 -1.639 -15.867 664 HE22 GLN 79 2HE2 GLN 79 18.645 -3.265 -15.400 665 H ALA 80 H ALA 80 18.879 0.719 -20.805 666 HA ALA 80 HA ALA 80 19.848 -0.768 -23.026 667 HB1 ALA 80 1HB ALA 80 21.358 0.992 -21.044 668 HB2 ALA 80 2HB ALA 80 20.612 1.528 -22.550 669 HB3 ALA 80 3HB ALA 80 21.984 0.424 -22.600 670 HA PRO 81 HA PRO 81 21.339 -4.436 -20.650 671 HB2 PRO 81 2HB PRO 81 23.087 -4.776 -23.096 672 HB3 PRO 81 3HB PRO 81 22.033 -5.957 -22.284 673 HG2 PRO 81 2HG PRO 81 21.270 -4.889 -24.590 674 HG3 PRO 81 3HG PRO 81 20.085 -5.133 -23.283 675 HD2 PRO 81 2HD PRO 81 21.448 -2.576 -24.136 676 HD3 PRO 81 3HD PRO 81 19.753 -2.854 -23.664 677 H VAL 82 H VAL 82 23.061 -4.682 -19.296 678 HA VAL 82 HA VAL 82 24.768 -2.578 -18.708 679 HB VAL 82 HB VAL 82 24.163 -4.364 -17.063 680 HG11 VAL 82 1HG1 VAL 82 26.214 -6.099 -18.477 681 HG12 VAL 82 2HG1 VAL 82 24.478 -6.389 -18.384 682 HG13 VAL 82 3HG1 VAL 82 25.456 -6.465 -16.924 683 HG21 VAL 82 1HG2 VAL 82 27.168 -3.899 -17.271 684 HG22 VAL 82 2HG2 VAL 82 26.286 -4.361 -15.811 685 HG23 VAL 82 3HG2 VAL 82 25.995 -2.790 -16.556 686 H SER 83 H SER 83 26.852 -1.993 -19.214 687 HA SER 83 HA SER 83 28.198 -3.199 -21.467 688 HB2 SER 83 2HB SER 83 29.074 -0.934 -19.622 689 HB3 SER 83 3HB SER 83 29.875 -1.390 -21.133 690 HG SER 83 HG SER 83 27.883 -0.923 -22.207 691 H LYS 84 H LYS 84 28.256 -5.303 -20.314 692 HA LYS 84 HA LYS 84 30.091 -5.812 -18.170 693 HB2 LYS 84 2HB LYS 84 29.602 -8.179 -18.612 694 HB3 LYS 84 3HB LYS 84 28.108 -7.250 -18.656 695 HG2 LYS 84 2HG LYS 84 28.251 -7.217 -21.159 696 HG3 LYS 84 3HG LYS 84 29.667 -8.266 -21.055 697 HD2 LYS 84 2HD LYS 84 28.253 -10.004 -19.922 698 HD3 LYS 84 3HD LYS 84 26.849 -8.950 -20.119 699 HE2 LYS 84 2HE LYS 84 27.244 -9.016 -22.604 700 HE3 LYS 84 3HE LYS 84 28.502 -10.219 -22.319 701 HZ1 LYS 84 1HZ LYS 84 26.846 -11.678 -21.355 702 HZ2 LYS 84 2HZ LYS 84 26.386 -11.232 -22.919 703 HZ3 LYS 84 3HZ LYS 84 25.643 -10.518 -21.578 704 H ARG 85 H ARG 85 31.948 -7.409 -18.500 705 HA ARG 85 HA ARG 85 33.401 -6.889 -21.032 706 HB2 ARG 85 2HB ARG 85 34.569 -6.906 -18.211 707 HB3 ARG 85 3HB ARG 85 35.502 -6.749 -19.700 708 HG2 ARG 85 2HG ARG 85 34.359 -4.624 -20.207 709 HG3 ARG 85 3HG ARG 85 33.406 -4.782 -18.732 710 HD2 ARG 85 2HD ARG 85 35.482 -4.679 -17.393 711 HD3 ARG 85 3HD ARG 85 36.419 -4.481 -18.882 712 HE ARG 85 HE ARG 85 34.416 -2.499 -18.757 713 HH11 ARG 85 1HH1 ARG 85 37.445 -3.353 -17.194 714 HH12 ARG 85 2HH1 ARG 85 37.834 -1.716 -16.774 715 HH21 ARG 85 1HH2 ARG 85 34.943 -0.343 -18.212 716 HH22 ARG 85 2HH2 ARG 85 36.416 -0.015 -17.354 717 H ARG 86 H ARG 86 34.548 -8.529 -21.862 718 HA ARG 86 HA ARG 86 33.998 -11.234 -20.956 719 HB2 ARG 86 2HB ARG 86 35.337 -10.092 -23.452 720 HB3 ARG 86 3HB ARG 86 35.155 -11.816 -23.164 721 HG2 ARG 86 2HG ARG 86 32.882 -9.825 -23.456 722 HG3 ARG 86 3HG ARG 86 33.426 -10.962 -24.690 723 HD2 ARG 86 2HD ARG 86 32.866 -12.840 -23.102 724 HD3 ARG 86 3HD ARG 86 32.166 -11.634 -22.015 725 HE ARG 86 HE ARG 86 30.764 -11.095 -24.157 726 HH11 ARG 86 1HH1 ARG 86 31.644 -14.285 -22.954 727 HH12 ARG 86 2HH1 ARG 86 30.236 -15.056 -23.611 728 HH21 ARG 86 1HH2 ARG 86 28.915 -12.120 -25.015 729 HH22 ARG 86 2HH2 ARG 86 28.685 -13.823 -24.779 730 H ALA 87 H ALA 87 35.268 -11.521 -19.136 731 HA ALA 87 HA ALA 87 38.065 -10.998 -18.956 732 HB1 ALA 87 1HB ALA 87 36.654 -11.298 -16.955 733 HB2 ALA 87 2HB ALA 87 37.994 -12.445 -16.954 734 HB3 ALA 87 3HB ALA 87 36.370 -12.985 -17.389 735 H ALA 88 H ALA 88 39.031 -11.789 -20.808 736 HA ALA 88 HA ALA 88 38.679 -14.546 -21.687 737 HB1 ALA 88 1HB ALA 88 40.324 -12.287 -22.891 738 HB2 ALA 88 2HB ALA 88 38.685 -12.745 -23.358 739 HB3 ALA 88 3HB ALA 88 40.022 -13.859 -23.640 Start of MODEL 10 1 H1 ILE 1 1H ILE 1 -17.512 11.099 11.397 2 H2 ILE 1 2H ILE 1 -18.112 12.629 11.795 3 H3 ILE 1 3H ILE 1 -17.227 11.745 12.928 4 HA ILE 1 HA ILE 1 -15.264 11.886 11.598 5 HB ILE 1 HB ILE 1 -17.039 13.508 9.720 6 HG12 ILE 1 2HG1 ILE 1 -15.439 10.960 9.210 7 HG13 ILE 1 3HG1 ILE 1 -17.185 11.047 9.418 8 HG21 ILE 1 1HG2 ILE 1 -14.017 13.186 9.593 9 HG22 ILE 1 2HG2 ILE 1 -14.899 14.679 9.909 10 HG23 ILE 1 3HG2 ILE 1 -15.011 13.914 8.325 11 HD11 ILE 1 1HD1 ILE 1 -15.609 12.272 7.148 12 HD12 ILE 1 2HD1 ILE 1 -17.360 12.373 7.360 13 HD13 ILE 1 3HD1 ILE 1 -16.593 10.810 7.085 14 H LEU 2 H LEU 2 -13.936 13.281 12.673 15 HA LEU 2 HA LEU 2 -14.925 15.863 13.665 16 HB2 LEU 2 2HB LEU 2 -12.317 14.364 14.158 17 HB3 LEU 2 3HB LEU 2 -12.633 15.969 14.783 18 HG LEU 2 HG LEU 2 -12.986 14.462 16.597 19 HD11 LEU 2 1HD1 LEU 2 -15.717 15.219 15.549 20 HD12 LEU 2 2HD1 LEU 2 -14.620 16.255 16.467 21 HD13 LEU 2 3HD1 LEU 2 -15.303 14.818 17.219 22 HD21 LEU 2 1HD2 LEU 2 -13.207 12.360 15.341 23 HD22 LEU 2 2HD2 LEU 2 -14.852 12.798 14.877 24 HD23 LEU 2 3HD2 LEU 2 -14.455 12.513 16.575 25 H GLU 3 H GLU 3 -14.694 17.573 12.364 26 HA GLU 3 HA GLU 3 -13.152 17.874 10.062 27 HB2 GLU 3 2HB GLU 3 -13.532 20.335 10.345 28 HB3 GLU 3 3HB GLU 3 -14.999 19.379 10.529 29 HG2 GLU 3 2HG GLU 3 -14.812 19.585 13.006 30 HG3 GLU 3 3HG GLU 3 -13.362 20.565 12.799 31 H ALA 4 H ALA 4 -11.118 18.833 9.637 32 HA ALA 4 HA ALA 4 -9.320 19.484 11.877 33 HB1 ALA 4 1HB ALA 4 -7.622 17.858 11.130 34 HB2 ALA 4 2HB ALA 4 -8.721 17.256 9.886 35 HB3 ALA 4 3HB ALA 4 -9.111 17.032 11.593 36 H HIS 5 H HIS 5 -7.814 20.995 11.319 37 HA HIS 5 HA HIS 5 -7.931 22.265 8.725 38 HB2 HIS 5 2HB HIS 5 -6.073 22.845 11.072 39 HB3 HIS 5 3HB HIS 5 -6.310 23.882 9.672 40 HD1 HIS 5 HD1 HIS 5 -7.147 23.920 13.026 41 HD2 HIS 5 HD2 HIS 5 -9.436 24.368 9.582 42 HE1 HIS 5 HE1 HIS 5 -9.232 25.121 13.747 43 HE2 HIS 5 HE2 HIS 5 -10.521 25.513 11.623 44 H TYR 6 H TYR 6 -6.094 22.545 7.325 45 HA TYR 6 HA TYR 6 -4.516 20.074 7.086 46 HB2 TYR 6 2HB TYR 6 -5.022 22.257 5.022 47 HB3 TYR 6 3HB TYR 6 -4.301 20.679 4.716 48 HD1 TYR 6 HD1 TYR 6 -5.748 18.583 5.048 49 HD2 TYR 6 HD2 TYR 6 -7.425 22.525 4.991 50 HE1 TYR 6 HE1 TYR 6 -7.985 17.638 4.643 51 HE2 TYR 6 HE2 TYR 6 -9.651 21.575 4.585 52 HH TYR 6 HH TYR 6 -10.609 19.485 3.613 53 H THR 7 H THR 7 -3.942 22.792 8.635 54 HA THR 7 HA THR 7 -1.529 23.876 7.645 55 HB THR 7 HB THR 7 -2.496 23.778 10.546 56 HG1 THR 7 HG1 THR 7 -3.246 25.347 8.333 57 HG21 THR 7 1HG2 THR 7 -0.146 24.550 10.335 58 HG22 THR 7 2HG2 THR 7 -1.205 25.866 10.826 59 HG23 THR 7 3HG2 THR 7 -0.656 25.775 9.155 60 H ASN 8 H ASN 8 -0.076 22.278 7.094 61 HA ASN 8 HA ASN 8 1.530 20.723 7.182 62 HB2 ASN 8 2HB ASN 8 2.568 22.261 8.851 63 HB3 ASN 8 3HB ASN 8 1.743 21.402 10.145 64 HD21 ASN 8 1HD2 ASN 8 2.454 19.285 10.689 65 HD22 ASN 8 2HD2 ASN 8 3.990 18.677 10.187 66 H LEU 9 H LEU 9 -0.008 19.093 6.664 67 HA LEU 9 HA LEU 9 -1.040 17.409 8.801 68 HB2 LEU 9 2HB LEU 9 -2.001 16.015 6.940 69 HB3 LEU 9 3HB LEU 9 -2.537 17.677 6.971 70 HG LEU 9 HG LEU 9 -0.739 18.051 5.072 71 HD11 LEU 9 1HD1 LEU 9 0.370 15.870 5.199 72 HD12 LEU 9 2HD1 LEU 9 -0.332 16.132 3.608 73 HD13 LEU 9 3HD1 LEU 9 -1.135 15.059 4.760 74 HD21 LEU 9 1HD2 LEU 9 -3.152 18.286 4.744 75 HD22 LEU 9 2HD2 LEU 9 -3.305 16.544 4.491 76 HD23 LEU 9 3HD2 LEU 9 -2.393 17.531 3.344 77 H LYS 10 H LYS 10 -0.159 15.598 9.528 78 HA LYS 10 HA LYS 10 2.442 14.669 8.557 79 HB2 LYS 10 2HB LYS 10 0.706 13.969 10.966 80 HB3 LYS 10 3HB LYS 10 2.119 13.018 10.562 81 HG2 LYS 10 2HG LYS 10 2.745 14.554 12.295 82 HG3 LYS 10 3HG LYS 10 3.541 15.065 10.807 83 HD2 LYS 10 2HD LYS 10 2.677 17.014 12.040 84 HD3 LYS 10 3HD LYS 10 1.829 16.845 10.502 85 HE2 LYS 10 2HE LYS 10 -0.087 15.799 11.687 86 HE3 LYS 10 3HE LYS 10 0.772 15.968 13.219 87 HZ1 LYS 10 1HZ LYS 10 -0.859 17.726 12.842 88 HZ2 LYS 10 2HZ LYS 10 -0.014 18.223 11.466 89 HZ3 LYS 10 3HZ LYS 10 0.711 18.335 12.988 90 H CYS 11 H CYS 11 2.391 11.938 8.818 91 HA CYS 11 HA CYS 11 1.191 10.879 6.598 92 HB2 CYS 11 2HB CYS 11 1.847 9.447 9.209 93 HB3 CYS 11 3HB CYS 11 1.500 8.641 7.681 94 H ARG 12 H ARG 12 -0.921 10.868 6.082 95 HA ARG 12 HA ARG 12 -3.014 10.509 8.086 96 HB2 ARG 12 2HB ARG 12 -4.607 10.750 6.159 97 HB3 ARG 12 3HB ARG 12 -3.555 12.139 6.361 98 HG2 ARG 12 2HG ARG 12 -2.804 10.004 4.370 99 HG3 ARG 12 3HG ARG 12 -4.061 11.168 3.965 100 HD2 ARG 12 2HD ARG 12 -2.570 12.969 3.881 101 HD3 ARG 12 3HD ARG 12 -1.417 12.210 4.984 102 HE ARG 12 HE ARG 12 -0.398 11.221 3.215 103 HH11 ARG 12 1HH1 ARG 12 -3.552 12.268 2.043 104 HH12 ARG 12 2HH1 ARG 12 -3.189 11.863 0.399 105 HH21 ARG 12 1HH2 ARG 12 0.027 10.678 1.084 106 HH22 ARG 12 2HH2 ARG 12 -1.162 10.964 -0.143 107 H CYS 13 H CYS 13 -3.757 8.542 8.607 108 HA CYS 13 HA CYS 13 -3.336 6.215 6.859 109 HB2 CYS 13 2HB CYS 13 -1.268 6.460 8.202 110 HB3 CYS 13 3HB CYS 13 -2.203 6.488 9.691 111 H SER 14 H SER 14 -5.430 5.668 6.691 112 HA SER 14 HA SER 14 -7.109 5.353 9.115 113 HB2 SER 14 2HB SER 14 -7.925 5.959 6.230 114 HB3 SER 14 3HB SER 14 -9.064 5.615 7.538 115 HG SER 14 HG SER 14 -8.193 7.442 8.636 116 H GLY 15 H GLY 15 -7.610 3.326 9.645 117 HA2 GLY 15 2HA GLY 15 -7.988 1.072 9.566 118 HA3 GLY 15 3HA GLY 15 -8.263 1.240 7.837 119 H VAL 16 H VAL 16 -5.936 0.497 10.316 120 HA VAL 16 HA VAL 16 -3.729 0.186 8.378 121 HB VAL 16 HB VAL 16 -3.550 -0.017 11.423 122 HG11 VAL 16 1HG1 VAL 16 -1.123 0.387 11.079 123 HG12 VAL 16 2HG1 VAL 16 -1.380 0.425 9.333 124 HG13 VAL 16 3HG1 VAL 16 -1.667 -1.065 10.233 125 HG21 VAL 16 1HG2 VAL 16 -2.991 2.473 9.780 126 HG22 VAL 16 2HG2 VAL 16 -2.768 2.298 11.517 127 HG23 VAL 16 3HG2 VAL 16 -4.392 2.243 10.826 128 H ILE 17 H ILE 17 -3.072 -1.802 7.801 129 HA ILE 17 HA ILE 17 -3.973 -4.154 9.345 130 HB ILE 17 HB ILE 17 -4.324 -5.434 7.229 131 HG12 ILE 17 2HG1 ILE 17 -4.797 -3.945 5.081 132 HG13 ILE 17 3HG1 ILE 17 -3.713 -2.791 5.836 133 HG21 ILE 17 1HG2 ILE 17 -6.244 -4.479 8.388 134 HG22 ILE 17 2HG2 ILE 17 -6.516 -4.482 6.644 135 HG23 ILE 17 3HG2 ILE 17 -6.085 -2.979 7.464 136 HD11 ILE 17 1HD1 ILE 17 -3.006 -5.631 5.097 137 HD12 ILE 17 2HD1 ILE 17 -1.910 -4.416 5.759 138 HD13 ILE 17 3HD1 ILE 17 -2.616 -4.187 4.161 139 H SER 18 H SER 18 -2.564 -5.799 9.537 140 HA SER 18 HA SER 18 0.079 -5.673 8.205 141 HB2 SER 18 2HB SER 18 -0.637 -6.987 10.864 142 HB3 SER 18 3HB SER 18 0.980 -6.877 10.160 143 HG SER 18 HG SER 18 -0.656 -4.679 10.930 144 H THR 19 H THR 19 -2.547 -6.778 7.329 145 HA THR 19 HA THR 19 -2.224 -9.688 7.288 146 HB THR 19 HB THR 19 -4.474 -7.856 6.325 147 HG1 THR 19 HG1 THR 19 -5.137 -9.541 8.317 148 HG21 THR 19 1HG2 THR 19 -5.885 -9.862 6.104 149 HG22 THR 19 2HG2 THR 19 -4.514 -10.893 6.510 150 HG23 THR 19 3HG2 THR 19 -4.497 -9.967 5.009 151 H VAL 20 H VAL 20 -1.859 -10.833 5.378 152 HA VAL 20 HA VAL 20 -0.790 -9.559 3.056 153 HB VAL 20 HB VAL 20 -1.768 -12.413 3.537 154 HG11 VAL 20 1HG1 VAL 20 -2.143 -12.018 1.166 155 HG12 VAL 20 2HG1 VAL 20 -0.712 -13.033 1.342 156 HG13 VAL 20 3HG1 VAL 20 -0.538 -11.318 0.978 157 HG21 VAL 20 1HG2 VAL 20 1.048 -11.302 3.176 158 HG22 VAL 20 2HG2 VAL 20 0.638 -13.003 3.414 159 HG23 VAL 20 3HG2 VAL 20 0.330 -11.836 4.699 160 H VAL 21 H VAL 21 -1.997 -8.331 1.767 161 HA VAL 21 HA VAL 21 -4.884 -8.722 1.428 162 HB VAL 21 HB VAL 21 -3.037 -6.538 0.352 163 HG11 VAL 21 1HG1 VAL 21 -6.078 -6.613 0.369 164 HG12 VAL 21 2HG1 VAL 21 -5.056 -6.772 -1.060 165 HG13 VAL 21 3HG1 VAL 21 -5.082 -5.256 -0.161 166 HG21 VAL 21 1HG2 VAL 21 -3.175 -6.514 2.811 167 HG22 VAL 21 2HG2 VAL 21 -4.938 -6.462 2.722 168 HG23 VAL 21 3HG2 VAL 21 -3.984 -5.106 2.119 169 H GLY 22 H GLY 22 -5.845 -9.299 -0.499 170 HA2 GLY 22 2HA GLY 22 -4.525 -10.865 -2.414 171 HA3 GLY 22 3HA GLY 22 -6.123 -10.161 -2.585 172 H LEU 23 H LEU 23 -3.133 -10.242 -3.925 173 HA LEU 23 HA LEU 23 -2.397 -7.664 -4.669 174 HB2 LEU 23 2HB LEU 23 -1.107 -9.817 -4.919 175 HB3 LEU 23 3HB LEU 23 -2.099 -10.221 -6.301 176 HG LEU 23 HG LEU 23 -0.408 -7.693 -6.322 177 HD11 LEU 23 1HD1 LEU 23 1.448 -8.918 -7.361 178 HD12 LEU 23 2HD1 LEU 23 0.610 -10.448 -7.082 179 HD13 LEU 23 3HD1 LEU 23 1.159 -9.473 -5.713 180 HD21 LEU 23 1HD2 LEU 23 -0.376 -8.036 -8.770 181 HD22 LEU 23 2HD2 LEU 23 -2.025 -7.928 -8.162 182 HD23 LEU 23 3HD2 LEU 23 -1.349 -9.502 -8.580 183 H ASN 24 H ASN 24 -4.947 -9.708 -5.933 184 HA ASN 24 HA ASN 24 -5.372 -8.513 -8.435 185 HB2 ASN 24 2HB ASN 24 -6.249 -10.754 -7.754 186 HB3 ASN 24 3HB ASN 24 -7.407 -9.961 -6.691 187 HD21 ASN 24 1HD2 ASN 24 -6.539 -10.632 -10.004 188 HD22 ASN 24 2HD2 ASN 24 -8.049 -10.167 -10.705 189 H ILE 25 H ILE 25 -6.560 -7.611 -5.175 190 HA ILE 25 HA ILE 25 -8.527 -5.750 -6.315 191 HB ILE 25 HB ILE 25 -9.367 -5.289 -4.107 192 HG12 ILE 25 2HG1 ILE 25 -7.154 -6.991 -2.866 193 HG13 ILE 25 3HG1 ILE 25 -7.118 -5.234 -2.914 194 HG21 ILE 25 1HG2 ILE 25 -8.825 -8.254 -4.431 195 HG22 ILE 25 2HG2 ILE 25 -10.189 -7.347 -5.087 196 HG23 ILE 25 3HG2 ILE 25 -10.033 -7.568 -3.345 197 HD11 ILE 25 1HD1 ILE 25 -9.162 -6.928 -1.472 198 HD12 ILE 25 2HD1 ILE 25 -9.188 -5.166 -1.575 199 HD13 ILE 25 3HD1 ILE 25 -7.860 -5.982 -0.754 200 H ILE 26 H ILE 26 -5.262 -5.582 -5.648 201 HA ILE 26 HA ILE 26 -5.075 -2.864 -4.694 202 HB ILE 26 HB ILE 26 -2.965 -4.521 -6.164 203 HG12 ILE 26 2HG1 ILE 26 -3.645 -5.726 -4.121 204 HG13 ILE 26 3HG1 ILE 26 -2.025 -5.087 -3.919 205 HG21 ILE 26 1HG2 ILE 26 -2.437 -2.120 -6.185 206 HG22 ILE 26 2HG2 ILE 26 -1.301 -2.992 -5.153 207 HG23 ILE 26 3HG2 ILE 26 -2.607 -2.051 -4.430 208 HD11 ILE 26 1HD1 ILE 26 -3.051 -3.205 -2.595 209 HD12 ILE 26 2HD1 ILE 26 -3.163 -4.814 -1.889 210 HD13 ILE 26 3HD1 ILE 26 -4.573 -4.106 -2.665 211 H ASP 27 H ASP 27 -5.177 -1.004 -5.917 212 HA ASP 27 HA ASP 27 -5.383 -1.275 -8.867 213 HB2 ASP 27 2HB ASP 27 -7.544 -0.708 -7.788 214 HB3 ASP 27 3HB ASP 27 -6.815 0.720 -7.063 215 H ARG 28 H ARG 28 -4.643 1.164 -6.329 216 HA ARG 28 HA ARG 28 -2.429 2.226 -7.956 217 HB2 ARG 28 2HB ARG 28 -4.328 3.509 -8.777 218 HB3 ARG 28 3HB ARG 28 -4.883 3.861 -7.158 219 HG2 ARG 28 2HG ARG 28 -3.857 5.840 -8.149 220 HG3 ARG 28 3HG ARG 28 -2.899 5.283 -6.776 221 HD2 ARG 28 2HD ARG 28 -1.250 4.289 -8.258 222 HD3 ARG 28 3HD ARG 28 -2.243 4.655 -9.673 223 HE ARG 28 HE ARG 28 -1.920 7.079 -8.983 224 HH11 ARG 28 1HH1 ARG 28 0.550 4.647 -8.334 225 HH12 ARG 28 2HH1 ARG 28 1.844 5.796 -8.348 226 HH21 ARG 28 1HH2 ARG 28 -0.226 8.555 -9.022 227 HH22 ARG 28 2HH2 ARG 28 1.401 8.026 -8.747 228 H ILE 29 H ILE 29 -0.750 2.765 -6.681 229 HA ILE 29 HA ILE 29 -1.107 2.867 -3.746 230 HB ILE 29 HB ILE 29 1.306 1.950 -5.376 231 HG12 ILE 29 2HG1 ILE 29 -0.649 0.318 -3.695 232 HG13 ILE 29 3HG1 ILE 29 -0.610 0.356 -5.454 233 HG21 ILE 29 1HG2 ILE 29 2.263 1.196 -3.183 234 HG22 ILE 29 2HG2 ILE 29 0.940 2.028 -2.364 235 HG23 ILE 29 3HG2 ILE 29 2.106 2.951 -3.309 236 HD11 ILE 29 1HD1 ILE 29 0.397 -1.667 -4.618 237 HD12 ILE 29 2HD1 ILE 29 1.543 -0.742 -3.650 238 HD13 ILE 29 3HD1 ILE 29 1.618 -0.673 -5.410 239 H GLN 30 H GLN 30 -0.135 4.495 -2.618 240 HA GLN 30 HA GLN 30 1.389 6.623 -3.966 241 HB2 GLN 30 2HB GLN 30 -1.038 7.254 -3.955 242 HB3 GLN 30 3HB GLN 30 -1.085 7.033 -2.210 243 HG2 GLN 30 2HG GLN 30 0.482 8.902 -1.921 244 HG3 GLN 30 3HG GLN 30 0.594 9.100 -3.665 245 HE21 GLN 30 1HE2 GLN 30 -1.191 9.982 -4.785 246 HE22 GLN 30 2HE2 GLN 30 -2.424 10.868 -3.965 247 H VAL 31 H VAL 31 3.089 7.318 -2.648 248 HA VAL 31 HA VAL 31 3.220 6.222 0.106 249 HB VAL 31 HB VAL 31 4.358 4.601 -1.405 250 HG11 VAL 31 1HG1 VAL 31 6.234 6.891 -2.108 251 HG12 VAL 31 2HG1 VAL 31 5.202 5.976 -3.212 252 HG13 VAL 31 3HG1 VAL 31 6.577 5.194 -2.442 253 HG21 VAL 31 1HG2 VAL 31 6.272 6.022 0.481 254 HG22 VAL 31 2HG2 VAL 31 6.457 4.370 -0.115 255 HG23 VAL 31 3HG2 VAL 31 5.096 4.784 0.928 256 H THR 32 H THR 32 4.178 7.521 1.588 257 HA THR 32 HA THR 32 5.651 9.940 0.738 258 HB THR 32 HB THR 32 4.366 9.388 3.451 259 HG1 THR 32 HG1 THR 32 2.590 10.161 2.666 260 HG21 THR 32 1HG2 THR 32 6.246 11.004 3.569 261 HG22 THR 32 2HG2 THR 32 4.703 11.796 3.881 262 HG23 THR 32 3HG2 THR 32 5.477 11.984 2.310 263 HA PRO 33 HA PRO 33 9.177 7.728 2.719 264 HB2 PRO 33 2HB PRO 33 11.152 9.391 1.805 265 HB3 PRO 33 3HB PRO 33 10.407 8.155 0.767 266 HG2 PRO 33 2HG PRO 33 9.808 11.107 0.889 267 HG3 PRO 33 3HG PRO 33 10.023 10.061 -0.534 268 HD2 PRO 33 2HD PRO 33 7.552 10.753 0.420 269 HD3 PRO 33 3HD PRO 33 7.861 9.212 -0.413 270 HA PRO 34 HA PRO 34 9.207 10.159 6.518 271 HB2 PRO 34 2HB PRO 34 12.028 9.206 6.954 272 HB3 PRO 34 3HB PRO 34 10.601 9.028 7.995 273 HG2 PRO 34 2HG PRO 34 11.563 6.951 6.629 274 HG3 PRO 34 3HG PRO 34 9.816 7.174 6.861 275 HD2 PRO 34 2HD PRO 34 11.465 7.691 4.399 276 HD3 PRO 34 3HD PRO 34 9.816 7.036 4.538 277 H GLY 35 H GLY 35 9.909 12.141 7.266 278 HA2 GLY 35 2HA GLY 35 11.329 14.030 7.400 279 HA3 GLY 35 3HA GLY 35 12.097 13.574 5.893 280 H ASN 36 H ASN 36 9.477 13.046 4.569 281 HA ASN 36 HA ASN 36 9.004 15.747 3.592 282 HB2 ASN 36 2HB ASN 36 7.936 13.025 2.715 283 HB3 ASN 36 3HB ASN 36 7.434 14.536 1.965 284 HD21 ASN 36 1HD2 ASN 36 8.260 13.682 -0.014 285 HD22 ASN 36 2HD2 ASN 36 9.956 13.739 -0.339 286 H GLY 37 H GLY 37 8.127 16.548 5.628 287 HA2 GLY 37 2HA GLY 37 6.345 17.512 6.712 288 HA3 GLY 37 3HA GLY 37 5.270 16.766 5.549 289 H CYS 38 H CYS 38 6.979 14.246 6.792 290 HA CYS 38 HA CYS 38 5.390 13.840 9.221 291 HB2 CYS 38 2HB CYS 38 4.122 12.802 7.336 292 HB3 CYS 38 3HB CYS 38 5.538 11.836 6.922 293 HA PRO 39 HA PRO 39 9.472 12.306 10.380 294 HB2 PRO 39 2HB PRO 39 9.006 11.596 12.941 295 HB3 PRO 39 3HB PRO 39 8.854 13.293 12.431 296 HG2 PRO 39 2HG PRO 39 6.670 11.257 12.852 297 HG3 PRO 39 3HG PRO 39 6.735 12.955 13.377 298 HD2 PRO 39 2HD PRO 39 5.421 12.099 11.086 299 HD3 PRO 39 3HD PRO 39 6.035 13.752 11.318 300 H LYS 40 H LYS 40 7.270 10.296 9.229 301 HA LYS 40 HA LYS 40 8.812 7.867 9.714 302 HB2 LYS 40 2HB LYS 40 6.874 6.524 10.447 303 HB3 LYS 40 3HB LYS 40 7.191 7.829 11.586 304 HG2 LYS 40 2HG LYS 40 5.338 9.138 10.650 305 HG3 LYS 40 3HG LYS 40 5.030 7.875 9.451 306 HD2 LYS 40 2HD LYS 40 4.458 6.285 11.254 307 HD3 LYS 40 3HD LYS 40 4.806 7.518 12.472 308 HE2 LYS 40 2HE LYS 40 2.961 8.896 11.594 309 HE3 LYS 40 3HE LYS 40 2.621 7.672 10.370 310 HZ1 LYS 40 1HZ LYS 40 1.134 7.519 12.279 311 HZ2 LYS 40 2HZ LYS 40 2.455 7.252 13.301 312 HZ3 LYS 40 3HZ LYS 40 2.073 6.119 12.109 313 H THR 41 H THR 41 7.770 6.005 8.412 314 HA THR 41 HA THR 41 7.339 6.880 5.704 315 HB THR 41 HB THR 41 7.230 4.002 6.713 316 HG1 THR 41 HG1 THR 41 9.566 4.124 5.972 317 HG21 THR 41 1HG2 THR 41 6.501 4.282 4.377 318 HG22 THR 41 2HG2 THR 41 8.076 3.486 4.425 319 HG23 THR 41 3HG2 THR 41 7.972 5.193 4.007 320 H GLU 42 H GLU 42 5.410 7.046 4.719 321 HA GLU 42 HA GLU 42 2.955 5.810 5.856 322 HB2 GLU 42 2HB GLU 42 2.889 8.293 5.787 323 HB3 GLU 42 3HB GLU 42 3.291 8.262 4.076 324 HG2 GLU 42 2HG GLU 42 1.087 6.871 3.814 325 HG3 GLU 42 3HG GLU 42 0.705 7.465 5.428 326 H VAL 43 H VAL 43 2.195 4.129 4.599 327 HA VAL 43 HA VAL 43 2.591 4.273 1.652 328 HB VAL 43 HB VAL 43 2.478 1.638 3.198 329 HG11 VAL 43 1HG1 VAL 43 3.249 2.248 0.314 330 HG12 VAL 43 2HG1 VAL 43 1.744 1.497 0.848 331 HG13 VAL 43 3HG1 VAL 43 3.277 0.647 1.064 332 HG21 VAL 43 1HG2 VAL 43 4.972 3.041 2.157 333 HG22 VAL 43 2HG2 VAL 43 4.917 1.420 2.835 334 HG23 VAL 43 3HG2 VAL 43 4.550 2.807 3.854 335 H VAL 44 H VAL 44 0.645 4.983 1.070 336 HA VAL 44 HA VAL 44 -1.843 3.829 2.146 337 HB VAL 44 HB VAL 44 -1.355 6.248 0.335 338 HG11 VAL 44 1HG1 VAL 44 -3.746 6.808 0.662 339 HG12 VAL 44 2HG1 VAL 44 -3.959 5.306 1.563 340 HG13 VAL 44 3HG1 VAL 44 -3.559 5.249 -0.153 341 HG21 VAL 44 1HG2 VAL 44 -2.160 6.155 3.267 342 HG22 VAL 44 2HG2 VAL 44 -2.009 7.616 2.288 343 HG23 VAL 44 3HG2 VAL 44 -0.582 6.641 2.639 344 H ILE 45 H ILE 45 -2.952 2.360 0.944 345 HA ILE 45 HA ILE 45 -2.491 2.216 -1.976 346 HB ILE 45 HB ILE 45 -3.205 -0.106 -0.128 347 HG12 ILE 45 2HG1 ILE 45 -0.632 0.503 -1.652 348 HG13 ILE 45 3HG1 ILE 45 -0.830 0.508 0.096 349 HG21 ILE 45 1HG2 ILE 45 -3.030 -1.533 -2.156 350 HG22 ILE 45 2HG2 ILE 45 -2.778 -0.089 -3.141 351 HG23 ILE 45 3HG2 ILE 45 -4.315 -0.335 -2.311 352 HD11 ILE 45 1HD1 ILE 45 -0.976 -1.900 -1.715 353 HD12 ILE 45 2HD1 ILE 45 -1.237 -1.911 0.032 354 HD13 ILE 45 3HD1 ILE 45 0.335 -1.463 -0.621 355 H TRP 46 H TRP 46 -4.229 2.599 -3.149 356 HA TRP 46 HA TRP 46 -6.957 2.604 -2.055 357 HB2 TRP 46 2HB TRP 46 -5.784 3.678 -4.657 358 HB3 TRP 46 3HB TRP 46 -7.479 3.805 -4.213 359 HD1 TRP 46 HD1 TRP 46 -4.006 5.088 -3.010 360 HE1 TRP 46 HE1 TRP 46 -4.354 7.363 -1.865 361 HE3 TRP 46 HE3 TRP 46 -9.119 5.315 -3.204 362 HZ2 TRP 46 HZ2 TRP 46 -6.501 9.046 -1.162 363 HZ3 TRP 46 HZ3 TRP 46 -10.245 7.304 -2.284 364 HH2 TRP 46 HH2 TRP 46 -8.961 9.132 -1.283 365 H THR 47 H THR 47 -8.200 0.861 -2.490 366 HA THR 47 HA THR 47 -7.306 -1.233 -4.309 367 HB THR 47 HB THR 47 -9.310 -2.477 -3.426 368 HG1 THR 47 HG1 THR 47 -9.867 -0.810 -1.373 369 HG21 THR 47 1HG2 THR 47 -7.156 -2.659 -2.205 370 HG22 THR 47 2HG2 THR 47 -8.531 -2.733 -1.098 371 HG23 THR 47 3HG2 THR 47 -7.591 -1.246 -1.236 372 H LYS 48 H LYS 48 -8.948 -2.240 -5.804 373 HA LYS 48 HA LYS 48 -10.247 -0.501 -7.617 374 HB2 LYS 48 2HB LYS 48 -11.140 -2.522 -8.655 375 HB3 LYS 48 3HB LYS 48 -9.455 -2.783 -8.221 376 HG2 LYS 48 2HG LYS 48 -10.069 -4.160 -6.328 377 HG3 LYS 48 3HG LYS 48 -11.775 -3.755 -6.507 378 HD2 LYS 48 2HD LYS 48 -11.241 -6.029 -7.342 379 HD3 LYS 48 3HD LYS 48 -11.883 -4.984 -8.613 380 HE2 LYS 48 2HE LYS 48 -9.646 -4.657 -9.529 381 HE3 LYS 48 3HE LYS 48 -8.928 -5.525 -8.173 382 HZ1 LYS 48 1HZ LYS 48 -9.079 -6.883 -10.156 383 HZ2 LYS 48 2HZ LYS 48 -10.756 -6.702 -10.179 384 HZ3 LYS 48 3HZ LYS 48 -10.017 -7.532 -8.905 385 H MET 49 H MET 49 -11.199 -1.805 -4.589 386 HA MET 49 HA MET 49 -14.048 -1.520 -4.819 387 HB2 MET 49 2HB MET 49 -12.273 -1.663 -2.335 388 HB3 MET 49 3HB MET 49 -14.027 -1.822 -2.342 389 HG2 MET 49 2HG MET 49 -13.863 -3.901 -3.606 390 HG3 MET 49 3HG MET 49 -12.105 -3.742 -3.694 391 HE1 MET 49 1HE MET 49 -11.870 -6.219 -2.693 392 HE2 MET 49 2HE MET 49 -13.619 -6.385 -2.537 393 HE3 MET 49 3HE MET 49 -12.575 -6.724 -1.157 394 H LYS 50 H LYS 50 -11.534 0.685 -4.728 395 HA LYS 50 HA LYS 50 -11.257 2.883 -4.429 396 HB2 LYS 50 2HB LYS 50 -14.295 2.852 -4.344 397 HB3 LYS 50 3HB LYS 50 -13.422 4.348 -4.055 398 HG2 LYS 50 2HG LYS 50 -14.248 4.145 -6.391 399 HG3 LYS 50 3HG LYS 50 -12.494 4.313 -6.300 400 HD2 LYS 50 2HD LYS 50 -12.188 1.942 -6.752 401 HD3 LYS 50 3HD LYS 50 -13.923 1.650 -6.643 402 HE2 LYS 50 2HE LYS 50 -12.627 3.403 -8.749 403 HE3 LYS 50 3HE LYS 50 -13.010 1.696 -8.979 404 HZ1 LYS 50 1HZ LYS 50 -15.348 2.210 -8.584 405 HZ2 LYS 50 2HZ LYS 50 -14.741 3.112 -9.880 406 HZ3 LYS 50 3HZ LYS 50 -14.975 3.848 -8.377 407 H LYS 51 H LYS 51 -11.266 0.878 -2.295 408 HA LYS 51 HA LYS 51 -12.018 2.375 0.123 409 HB2 LYS 51 2HB LYS 51 -12.935 0.043 -0.267 410 HB3 LYS 51 3HB LYS 51 -11.297 -0.583 -0.197 411 HG2 LYS 51 2HG LYS 51 -12.368 0.983 2.145 412 HG3 LYS 51 3HG LYS 51 -12.909 -0.681 1.918 413 HD2 LYS 51 2HD LYS 51 -10.585 -1.487 2.064 414 HD3 LYS 51 3HD LYS 51 -9.991 0.174 2.158 415 HE2 LYS 51 2HE LYS 51 -11.797 -1.139 4.215 416 HE3 LYS 51 3HE LYS 51 -10.054 -0.935 4.379 417 HZ1 LYS 51 1HZ LYS 51 -11.241 0.795 5.540 418 HZ2 LYS 51 2HZ LYS 51 -12.037 1.262 4.130 419 HZ3 LYS 51 3HZ LYS 51 -10.361 1.464 4.264 420 H VAL 52 H VAL 52 -10.483 3.080 1.482 421 HA VAL 52 HA VAL 52 -7.695 3.051 0.655 422 HB VAL 52 HB VAL 52 -9.135 4.582 2.873 423 HG11 VAL 52 1HG1 VAL 52 -7.069 5.944 3.078 424 HG12 VAL 52 2HG1 VAL 52 -6.274 4.886 1.915 425 HG13 VAL 52 3HG1 VAL 52 -6.757 4.252 3.486 426 HG21 VAL 52 1HG2 VAL 52 -8.120 5.499 0.154 427 HG22 VAL 52 2HG2 VAL 52 -8.834 6.544 1.383 428 HG23 VAL 52 3HG2 VAL 52 -9.812 5.293 0.615 429 H ILE 53 H ILE 53 -6.285 1.657 1.470 430 HA ILE 53 HA ILE 53 -6.536 0.704 4.264 431 HB ILE 53 HB ILE 53 -5.121 -1.308 3.586 432 HG12 ILE 53 2HG1 ILE 53 -5.907 -0.572 0.729 433 HG13 ILE 53 3HG1 ILE 53 -4.293 -0.381 1.393 434 HG21 ILE 53 1HG2 ILE 53 -7.881 -1.165 2.334 435 HG22 ILE 53 2HG2 ILE 53 -7.516 -1.558 4.017 436 HG23 ILE 53 3HG2 ILE 53 -7.004 -2.648 2.729 437 HD11 ILE 53 1HD1 ILE 53 -5.753 -2.988 0.980 438 HD12 ILE 53 2HD1 ILE 53 -4.146 -2.807 1.689 439 HD13 ILE 53 3HD1 ILE 53 -4.426 -2.342 0.014 440 H CYS 54 H CYS 54 -4.774 1.000 5.503 441 HA CYS 54 HA CYS 54 -2.402 2.357 4.355 442 HB2 CYS 54 2HB CYS 54 -3.710 3.683 6.008 443 HB3 CYS 54 3HB CYS 54 -3.527 2.396 7.191 444 H VAL 55 H VAL 55 -0.604 1.098 4.292 445 HA VAL 55 HA VAL 55 -0.632 -1.476 5.789 446 HB VAL 55 HB VAL 55 0.289 -2.643 3.894 447 HG11 VAL 55 1HG1 VAL 55 -1.961 -0.866 2.876 448 HG12 VAL 55 2HG1 VAL 55 -2.152 -2.352 3.807 449 HG13 VAL 55 3HG1 VAL 55 -1.475 -2.416 2.181 450 HG21 VAL 55 1HG2 VAL 55 0.487 0.011 2.416 451 HG22 VAL 55 2HG2 VAL 55 0.837 -1.574 1.722 452 HG23 VAL 55 3HG2 VAL 55 1.842 -0.944 3.029 453 H ASN 56 H ASN 56 1.511 -2.490 5.987 454 HA ASN 56 HA ASN 56 3.553 -0.670 6.902 455 HB2 ASN 56 2HB ASN 56 3.414 -3.713 6.759 456 HB3 ASN 56 3HB ASN 56 4.814 -2.851 7.385 457 HD21 ASN 56 1HD2 ASN 56 1.400 -1.943 7.994 458 HD22 ASN 56 2HD2 ASN 56 1.450 -2.294 9.681 459 HA PRO 57 HA PRO 57 5.819 -0.476 2.978 460 HB2 PRO 57 2HB PRO 57 8.376 0.063 3.988 461 HB3 PRO 57 3HB PRO 57 7.107 1.281 3.766 462 HG2 PRO 57 2HG PRO 57 7.880 -0.184 6.272 463 HG3 PRO 57 3HG PRO 57 7.483 1.537 6.053 464 HD2 PRO 57 2HD PRO 57 5.665 -0.172 7.074 465 HD3 PRO 57 3HD PRO 57 5.165 1.138 5.979 466 H ARG 58 H ARG 58 7.285 -2.368 5.638 467 HA ARG 58 HA ARG 58 8.765 -4.062 3.781 468 HB2 ARG 58 2HB ARG 58 8.541 -4.245 6.813 469 HB3 ARG 58 3HB ARG 58 9.676 -5.142 5.806 470 HG2 ARG 58 2HG ARG 58 10.692 -2.935 5.122 471 HG3 ARG 58 3HG ARG 58 9.645 -2.143 6.305 472 HD2 ARG 58 2HD ARG 58 11.872 -2.504 7.258 473 HD3 ARG 58 3HD ARG 58 10.694 -3.514 8.105 474 HE ARG 58 HE ARG 58 12.504 -4.525 5.984 475 HH11 ARG 58 1HH1 ARG 58 10.943 -5.009 9.098 476 HH12 ARG 58 2HH1 ARG 58 11.623 -6.588 9.325 477 HH21 ARG 58 1HH2 ARG 58 13.369 -6.591 6.285 478 HH22 ARG 58 2HH2 ARG 58 13.000 -7.483 7.728 479 H ALA 59 H ALA 59 5.661 -4.053 4.053 480 HA ALA 59 HA ALA 59 4.832 -6.631 4.836 481 HB1 ALA 59 1HB ALA 59 2.859 -6.219 3.335 482 HB2 ALA 59 2HB ALA 59 3.658 -4.756 2.752 483 HB3 ALA 59 3HB ALA 59 3.198 -4.885 4.442 484 H LYS 60 H LYS 60 5.125 -8.559 3.915 485 HA LYS 60 HA LYS 60 7.248 -8.915 2.117 486 HB2 LYS 60 2HB LYS 60 6.598 -10.431 4.032 487 HB3 LYS 60 3HB LYS 60 5.252 -11.022 3.058 488 HG2 LYS 60 2HG LYS 60 6.832 -11.900 1.386 489 HG3 LYS 60 3HG LYS 60 8.191 -11.260 2.317 490 HD2 LYS 60 2HD LYS 60 7.517 -12.752 4.232 491 HD3 LYS 60 3HD LYS 60 6.253 -13.442 3.204 492 HE2 LYS 60 2HE LYS 60 8.013 -14.188 1.607 493 HE3 LYS 60 3HE LYS 60 9.246 -13.556 2.699 494 HZ1 LYS 60 1HZ LYS 60 7.315 -15.724 3.309 495 HZ2 LYS 60 2HZ LYS 60 8.451 -15.095 4.390 496 HZ3 LYS 60 3HZ LYS 60 8.973 -15.912 3.005 497 H TRP 61 H TRP 61 3.766 -9.039 1.644 498 HA TRP 61 HA TRP 61 3.829 -10.172 -0.996 499 HB2 TRP 61 2HB TRP 61 1.409 -9.560 -1.063 500 HB3 TRP 61 3HB TRP 61 1.848 -10.461 0.378 501 HD1 TRP 61 HD1 TRP 61 1.754 -9.118 2.748 502 HE1 TRP 61 HE1 TRP 61 0.501 -6.987 3.452 503 HE3 TRP 61 HE3 TRP 61 0.618 -7.266 -1.884 504 HZ2 TRP 61 HZ2 TRP 61 -0.781 -4.807 2.224 505 HZ3 TRP 61 HZ3 TRP 61 -0.627 -5.145 -2.034 506 HH2 TRP 61 HH2 TRP 61 -1.314 -3.942 -0.017 507 H LEU 62 H LEU 62 4.005 -6.939 0.331 508 HA LEU 62 HA LEU 62 3.426 -5.438 -2.007 509 HB2 LEU 62 2HB LEU 62 3.305 -4.524 0.288 510 HB3 LEU 62 3HB LEU 62 5.050 -4.658 0.441 511 HG LEU 62 HG LEU 62 5.228 -2.964 -1.492 512 HD11 LEU 62 1HD1 LEU 62 3.306 -1.561 -2.005 513 HD12 LEU 62 2HD1 LEU 62 2.280 -2.537 -0.949 514 HD13 LEU 62 3HD1 LEU 62 2.964 -3.239 -2.410 515 HD21 LEU 62 1HD2 LEU 62 4.793 -0.994 -0.090 516 HD22 LEU 62 2HD2 LEU 62 5.622 -2.259 0.813 517 HD23 LEU 62 3HD2 LEU 62 3.892 -1.996 1.054 518 H GLN 63 H GLN 63 6.276 -7.099 -0.883 519 HA GLN 63 HA GLN 63 8.334 -5.913 -2.362 520 HB2 GLN 63 2HB GLN 63 7.946 -8.845 -1.630 521 HB3 GLN 63 3HB GLN 63 9.453 -8.168 -2.233 522 HG2 GLN 63 2HG GLN 63 8.111 -7.325 0.363 523 HG3 GLN 63 3HG GLN 63 9.402 -8.515 0.247 524 HE21 GLN 63 1HE2 GLN 63 11.500 -7.817 -0.265 525 HE22 GLN 63 2HE2 GLN 63 11.973 -6.160 -0.138 526 H ARG 64 H ARG 64 5.896 -8.310 -3.327 527 HA ARG 64 HA ARG 64 6.957 -8.879 -5.914 528 HB2 ARG 64 2HB ARG 64 5.433 -10.435 -4.739 529 HB3 ARG 64 3HB ARG 64 4.133 -9.256 -4.830 530 HG2 ARG 64 2HG ARG 64 3.932 -11.105 -6.508 531 HG3 ARG 64 3HG ARG 64 3.984 -9.497 -7.238 532 HD2 ARG 64 2HD ARG 64 5.368 -11.200 -8.459 533 HD3 ARG 64 3HD ARG 64 6.295 -9.802 -7.903 534 HE ARG 64 HE ARG 64 6.307 -12.045 -6.076 535 HH11 ARG 64 1HH1 ARG 64 7.976 -10.608 -8.817 536 HH12 ARG 64 2HH1 ARG 64 9.461 -11.435 -8.492 537 HH21 ARG 64 1HH2 ARG 64 8.253 -13.082 -5.646 538 HH22 ARG 64 2HH2 ARG 64 9.622 -12.837 -6.683 539 H LEU 65 H LEU 65 4.786 -6.426 -4.640 540 HA LEU 65 HA LEU 65 3.862 -5.440 -7.171 541 HB2 LEU 65 2HB LEU 65 3.778 -4.375 -4.347 542 HB3 LEU 65 3HB LEU 65 3.321 -3.327 -5.668 543 HG LEU 65 HG LEU 65 1.339 -4.258 -4.573 544 HD11 LEU 65 1HD1 LEU 65 1.232 -3.780 -6.997 545 HD12 LEU 65 2HD1 LEU 65 0.104 -5.022 -6.477 546 HD13 LEU 65 3HD1 LEU 65 1.570 -5.481 -7.337 547 HD21 LEU 65 1HD2 LEU 65 2.260 -6.368 -3.714 548 HD22 LEU 65 2HD2 LEU 65 2.307 -7.031 -5.346 549 HD23 LEU 65 3HD2 LEU 65 0.761 -6.634 -4.593 550 H LEU 66 H LEU 66 6.544 -4.709 -4.984 551 HA LEU 66 HA LEU 66 7.584 -2.440 -6.339 552 HB2 LEU 66 2HB LEU 66 9.077 -4.474 -4.639 553 HB3 LEU 66 3HB LEU 66 9.703 -2.905 -5.126 554 HG LEU 66 HG LEU 66 7.390 -3.423 -3.214 555 HD11 LEU 66 1HD1 LEU 66 8.812 -2.426 -1.509 556 HD12 LEU 66 2HD1 LEU 66 10.117 -2.219 -2.679 557 HD13 LEU 66 3HD1 LEU 66 9.585 -3.839 -2.221 558 HD21 LEU 66 1HD2 LEU 66 8.463 -0.744 -4.160 559 HD22 LEU 66 2HD2 LEU 66 7.296 -0.985 -2.857 560 HD23 LEU 66 3HD2 LEU 66 6.870 -1.424 -4.505 561 H ARG 67 H ARG 67 8.159 -5.934 -6.661 562 HA ARG 67 HA ARG 67 10.190 -5.773 -8.676 563 HB2 ARG 67 2HB ARG 67 8.330 -8.057 -7.887 564 HB3 ARG 67 3HB ARG 67 9.644 -8.224 -9.046 565 HG2 ARG 67 2HG ARG 67 9.945 -7.544 -6.104 566 HG3 ARG 67 3HG ARG 67 10.262 -9.109 -6.850 567 HD2 ARG 67 2HD ARG 67 11.984 -7.808 -8.324 568 HD3 ARG 67 3HD ARG 67 11.841 -6.538 -7.101 569 HE ARG 67 HE ARG 67 12.320 -8.967 -5.790 570 HH11 ARG 67 1HH1 ARG 67 14.048 -6.749 -7.911 571 HH12 ARG 67 2HH1 ARG 67 15.605 -7.185 -7.290 572 HH21 ARG 67 1HH2 ARG 67 14.378 -9.562 -5.039 573 HH22 ARG 67 2HH2 ARG 67 15.791 -8.781 -5.662 574 H HIS 68 H HIS 68 6.665 -5.973 -8.745 575 HA HIS 68 HA HIS 68 6.330 -6.594 -11.482 576 HB2 HIS 68 2HB HIS 68 4.486 -6.873 -9.867 577 HB3 HIS 68 3HB HIS 68 4.448 -5.136 -9.573 578 HD1 HIS 68 HD1 HIS 68 3.611 -7.704 -12.218 579 HD2 HIS 68 HD2 HIS 68 2.984 -3.667 -11.457 580 HE1 HIS 68 HE1 HIS 68 2.018 -6.913 -13.990 581 HE2 HIS 68 HE2 HIS 68 1.827 -4.435 -13.610 582 H VAL 69 H VAL 69 6.523 -3.515 -9.733 583 HA VAL 69 HA VAL 69 6.056 -1.928 -12.131 584 HB VAL 69 HB VAL 69 6.180 0.060 -10.738 585 HG11 VAL 69 1HG1 VAL 69 4.050 -1.168 -10.741 586 HG12 VAL 69 2HG1 VAL 69 4.305 -0.355 -9.197 587 HG13 VAL 69 3HG1 VAL 69 4.560 -2.096 -9.328 588 HG21 VAL 69 1HG2 VAL 69 8.038 -0.528 -9.234 589 HG22 VAL 69 2HG2 VAL 69 7.029 -1.719 -8.417 590 HG23 VAL 69 3HG2 VAL 69 6.632 -0.005 -8.301 591 H GLN 70 H GLN 70 8.800 -3.215 -10.471 592 HA GLN 70 HA GLN 70 10.762 -1.296 -11.368 593 HB2 GLN 70 2HB GLN 70 11.069 -2.692 -9.329 594 HB3 GLN 70 3HB GLN 70 11.105 -4.143 -10.317 595 HG2 GLN 70 2HG GLN 70 13.367 -3.485 -9.612 596 HG3 GLN 70 3HG GLN 70 13.198 -3.418 -11.362 597 HE21 GLN 70 1HE2 GLN 70 13.452 -1.499 -8.444 598 HE22 GLN 70 2HE2 GLN 70 13.924 -0.031 -9.217 599 H SER 71 H SER 71 12.370 -1.676 -12.988 600 HA SER 71 HA SER 71 11.567 -2.709 -15.476 601 HB2 SER 71 2HB SER 71 14.401 -2.153 -14.479 602 HB3 SER 71 3HB SER 71 13.882 -2.206 -16.171 603 HG SER 71 HG SER 71 14.020 -0.091 -14.824 604 H LYS 72 H LYS 72 12.266 -4.504 -16.641 605 HA LYS 72 HA LYS 72 12.660 -6.647 -17.107 606 HB2 LYS 72 2HB LYS 72 14.964 -6.178 -16.119 607 HB3 LYS 72 3HB LYS 72 14.380 -6.819 -14.597 608 HG2 LYS 72 2HG LYS 72 15.533 -8.637 -15.481 609 HG3 LYS 72 3HG LYS 72 13.878 -8.997 -15.965 610 HD2 LYS 72 2HD LYS 72 15.891 -7.618 -17.794 611 HD3 LYS 72 3HD LYS 72 15.687 -9.366 -17.744 612 HE2 LYS 72 2HE LYS 72 13.306 -9.071 -18.448 613 HE3 LYS 72 3HE LYS 72 13.578 -7.331 -18.557 614 HZ1 LYS 72 1HZ LYS 72 15.219 -7.719 -20.259 615 HZ2 LYS 72 2HZ LYS 72 13.745 -8.411 -20.705 616 HZ3 LYS 72 3HZ LYS 72 15.004 -9.394 -20.150 617 H SER 73 H SER 73 10.370 -6.633 -16.608 618 HA SER 73 HA SER 73 9.570 -8.420 -14.407 619 HB2 SER 73 2HB SER 73 7.744 -6.803 -13.781 620 HB3 SER 73 3HB SER 73 9.333 -6.086 -13.585 621 HG SER 73 HG SER 73 8.420 -4.565 -14.712 622 H LEU 74 H LEU 74 6.985 -8.774 -14.759 623 HA LEU 74 HA LEU 74 6.464 -9.883 -17.284 624 HB2 LEU 74 2HB LEU 74 4.593 -9.063 -15.030 625 HB3 LEU 74 3HB LEU 74 4.021 -9.853 -16.488 626 HG LEU 74 HG LEU 74 5.484 -11.839 -15.922 627 HD11 LEU 74 1HD1 LEU 74 6.335 -12.110 -13.625 628 HD12 LEU 74 2HD1 LEU 74 5.899 -10.435 -13.269 629 HD13 LEU 74 3HD1 LEU 74 7.137 -10.789 -14.476 630 HD21 LEU 74 1HD2 LEU 74 3.992 -12.750 -14.218 631 HD22 LEU 74 2HD2 LEU 74 3.090 -11.856 -15.439 632 HD23 LEU 74 3HD2 LEU 74 3.387 -11.130 -13.855 633 H SER 75 H SER 75 7.094 -8.235 -18.733 634 HA SER 75 HA SER 75 5.052 -6.574 -19.804 635 HB2 SER 75 2HB SER 75 5.861 -5.134 -17.848 636 HB3 SER 75 3HB SER 75 7.447 -5.064 -18.608 637 HG SER 75 HG SER 75 5.678 -3.360 -18.991 638 H SER 76 H SER 76 5.702 -5.754 -21.908 639 HA SER 76 HA SER 76 7.898 -7.336 -23.071 640 HB2 SER 76 2HB SER 76 6.693 -6.902 -25.257 641 HB3 SER 76 3HB SER 76 5.751 -7.801 -24.073 642 HG SER 76 HG SER 76 5.524 -5.040 -24.705 643 H THR 77 H THR 77 9.454 -5.788 -22.206 644 HA THR 77 HA THR 77 9.740 -3.233 -23.609 645 HB THR 77 HB THR 77 11.578 -4.563 -21.570 646 HG1 THR 77 HG1 THR 77 9.250 -3.351 -21.223 647 HG21 THR 77 1HG2 THR 77 12.793 -2.939 -23.012 648 HG22 THR 77 2HG2 THR 77 12.663 -2.362 -21.350 649 HG23 THR 77 3HG2 THR 77 11.606 -1.696 -22.597 650 HA PRO 78 HA PRO 78 12.196 -5.456 -26.858 651 HB2 PRO 78 2HB PRO 78 12.650 -2.625 -27.781 652 HB3 PRO 78 3HB PRO 78 12.081 -4.031 -28.707 653 HG2 PRO 78 2HG PRO 78 10.367 -2.118 -28.039 654 HG3 PRO 78 3HG PRO 78 9.879 -3.825 -27.944 655 HD2 PRO 78 2HD PRO 78 10.724 -1.990 -25.693 656 HD3 PRO 78 3HD PRO 78 9.369 -3.144 -25.760 657 H GLN 79 H GLN 79 13.811 -6.098 -25.445 658 HA GLN 79 HA GLN 79 16.122 -4.319 -24.948 659 HB2 GLN 79 2HB GLN 79 14.519 -4.369 -22.967 660 HB3 GLN 79 3HB GLN 79 14.771 -6.106 -22.859 661 HG2 GLN 79 2HG GLN 79 17.161 -5.719 -22.329 662 HG3 GLN 79 3HG GLN 79 16.901 -3.978 -22.455 663 HE21 GLN 79 1HE2 GLN 79 17.839 -5.454 -20.142 664 HE22 GLN 79 2HE2 GLN 79 16.715 -5.169 -18.866 665 H ALA 80 H ALA 80 18.021 -5.339 -25.380 666 HA ALA 80 HA ALA 80 18.165 -7.849 -26.618 667 HB1 ALA 80 1HB ALA 80 20.621 -7.573 -26.486 668 HB2 ALA 80 2HB ALA 80 20.413 -6.248 -25.337 669 HB3 ALA 80 3HB ALA 80 19.832 -6.074 -26.992 670 HA PRO 81 HA PRO 81 18.135 -10.527 -22.993 671 HB2 PRO 81 2HB PRO 81 18.977 -12.894 -24.117 672 HB3 PRO 81 3HB PRO 81 17.348 -12.233 -24.380 673 HG2 PRO 81 2HG PRO 81 19.752 -12.067 -26.175 674 HG3 PRO 81 3HG PRO 81 18.061 -12.409 -26.602 675 HD2 PRO 81 2HD PRO 81 19.168 -9.937 -26.941 676 HD3 PRO 81 3HD PRO 81 17.446 -10.153 -26.548 677 H VAL 82 H VAL 82 19.762 -9.453 -21.808 678 HA VAL 82 HA VAL 82 22.534 -9.793 -22.186 679 HB VAL 82 HB VAL 82 21.524 -7.965 -20.762 680 HG11 VAL 82 1HG1 VAL 82 21.082 -8.384 -18.354 681 HG12 VAL 82 2HG1 VAL 82 21.250 -10.119 -18.630 682 HG13 VAL 82 3HG1 VAL 82 19.930 -9.229 -19.388 683 HG21 VAL 82 1HG2 VAL 82 23.382 -7.842 -19.147 684 HG22 VAL 82 2HG2 VAL 82 23.953 -8.398 -20.722 685 HG23 VAL 82 3HG2 VAL 82 23.736 -9.551 -19.404 686 H SER 83 H SER 83 24.022 -11.120 -21.159 687 HA SER 83 HA SER 83 23.306 -13.819 -20.696 688 HB2 SER 83 2HB SER 83 25.523 -12.979 -21.606 689 HB3 SER 83 3HB SER 83 25.931 -12.440 -19.979 690 HG SER 83 HG SER 83 25.481 -15.095 -20.891 691 H LYS 84 H LYS 84 23.509 -15.040 -18.731 692 HA LYS 84 HA LYS 84 22.858 -13.554 -16.267 693 HB2 LYS 84 2HB LYS 84 22.531 -16.491 -17.025 694 HB3 LYS 84 3HB LYS 84 22.302 -15.914 -15.382 695 HG2 LYS 84 2HG LYS 84 20.131 -16.122 -16.345 696 HG3 LYS 84 3HG LYS 84 20.483 -14.396 -16.245 697 HD2 LYS 84 2HD LYS 84 21.038 -14.368 -18.659 698 HD3 LYS 84 3HD LYS 84 20.706 -16.099 -18.763 699 HE2 LYS 84 2HE LYS 84 18.798 -14.840 -19.619 700 HE3 LYS 84 3HE LYS 84 18.335 -15.644 -18.117 701 HZ1 LYS 84 1HZ LYS 84 19.077 -12.779 -18.416 702 HZ2 LYS 84 2HZ LYS 84 18.719 -13.534 -16.951 703 HZ3 LYS 84 3HZ LYS 84 17.523 -13.388 -18.137 704 H ARG 85 H ARG 85 24.605 -13.038 -15.079 705 HA ARG 85 HA ARG 85 27.115 -14.293 -15.102 706 HB2 ARG 85 2HB ARG 85 27.703 -12.972 -13.145 707 HB3 ARG 85 3HB ARG 85 26.767 -11.971 -14.239 708 HG2 ARG 85 2HG ARG 85 24.812 -12.106 -12.787 709 HG3 ARG 85 3HG ARG 85 25.607 -13.296 -11.764 710 HD2 ARG 85 2HD ARG 85 25.660 -11.167 -10.642 711 HD3 ARG 85 3HD ARG 85 27.303 -11.558 -11.154 712 HE ARG 85 HE ARG 85 26.571 -10.046 -13.183 713 HH11 ARG 85 1HH1 ARG 85 25.918 -9.482 -9.771 714 HH12 ARG 85 2HH1 ARG 85 25.884 -7.757 -9.947 715 HH21 ARG 85 1HH2 ARG 85 26.531 -7.796 -13.393 716 HH22 ARG 85 2HH2 ARG 85 26.238 -6.798 -12.004 717 H ARG 86 H ARG 86 27.626 -16.276 -14.458 718 HA ARG 86 HA ARG 86 25.890 -17.852 -12.727 719 HB2 ARG 86 2HB ARG 86 27.178 -19.754 -13.427 720 HB3 ARG 86 3HB ARG 86 26.985 -18.749 -14.858 721 HG2 ARG 86 2HG ARG 86 29.307 -17.868 -14.506 722 HG3 ARG 86 3HG ARG 86 29.483 -18.970 -13.138 723 HD2 ARG 86 2HD ARG 86 29.014 -20.876 -14.776 724 HD3 ARG 86 3HD ARG 86 29.157 -19.685 -16.072 725 HE ARG 86 HE ARG 86 31.306 -20.475 -14.205 726 HH11 ARG 86 1HH1 ARG 86 30.398 -19.105 -17.312 727 HH12 ARG 86 2HH1 ARG 86 32.024 -19.046 -17.895 728 HH21 ARG 86 1HH2 ARG 86 33.411 -20.437 -14.995 729 HH22 ARG 86 2HH2 ARG 86 33.741 -19.804 -16.575 730 H ALA 87 H ALA 87 26.660 -18.948 -10.803 731 HA ALA 87 HA ALA 87 28.602 -17.529 -9.193 732 HB1 ALA 87 1HB ALA 87 26.621 -18.530 -8.139 733 HB2 ALA 87 2HB ALA 87 28.090 -19.268 -7.493 734 HB3 ALA 87 3HB ALA 87 27.115 -20.136 -8.682 735 H ALA 88 H ALA 88 30.688 -17.737 -9.780 736 HA ALA 88 HA ALA 88 31.737 -19.854 -11.371 737 HB1 ALA 88 1HB ALA 88 32.586 -17.552 -11.544 738 HB2 ALA 88 2HB ALA 88 33.896 -18.666 -11.151 739 HB3 ALA 88 3HB ALA 88 33.208 -17.629 -9.895 Start of MODEL 11 1 H1 ILE 1 1H ILE 1 -14.147 28.664 24.985 2 H2 ILE 1 2H ILE 1 -12.799 27.691 24.685 3 H3 ILE 1 3H ILE 1 -14.240 26.995 25.219 4 HA ILE 1 HA ILE 1 -15.355 27.620 23.217 5 HB ILE 1 HB ILE 1 -12.625 28.703 22.372 6 HG12 ILE 1 2HG1 ILE 1 -13.888 30.262 23.842 7 HG13 ILE 1 3HG1 ILE 1 -13.721 30.912 22.217 8 HG21 ILE 1 1HG2 ILE 1 -13.680 29.333 20.219 9 HG22 ILE 1 2HG2 ILE 1 -15.157 28.494 20.700 10 HG23 ILE 1 3HG2 ILE 1 -13.663 27.584 20.459 11 HD11 ILE 1 1HD1 ILE 1 -15.916 31.351 23.130 12 HD12 ILE 1 2HD1 ILE 1 -16.193 29.631 23.382 13 HD13 ILE 1 3HD1 ILE 1 -16.051 30.272 21.742 14 H LEU 2 H LEU 2 -15.710 25.595 22.495 15 HA LEU 2 HA LEU 2 -13.762 23.505 22.378 16 HB2 LEU 2 2HB LEU 2 -16.595 23.632 21.253 17 HB3 LEU 2 3HB LEU 2 -15.629 22.165 21.383 18 HG LEU 2 HG LEU 2 -16.712 23.819 23.706 19 HD11 LEU 2 1HD1 LEU 2 -18.102 21.865 24.184 20 HD12 LEU 2 2HD1 LEU 2 -17.455 21.033 22.766 21 HD13 LEU 2 3HD1 LEU 2 -18.428 22.492 22.569 22 HD21 LEU 2 1HD2 LEU 2 -14.530 22.901 24.301 23 HD22 LEU 2 2HD2 LEU 2 -15.035 21.289 23.783 24 HD23 LEU 2 3HD2 LEU 2 -15.812 22.060 25.171 25 H GLU 3 H GLU 3 -13.256 22.262 20.450 26 HA GLU 3 HA GLU 3 -13.173 23.856 17.943 27 HB2 GLU 3 2HB GLU 3 -10.934 22.663 17.505 28 HB3 GLU 3 3HB GLU 3 -10.944 23.948 18.698 29 HG2 GLU 3 2HG GLU 3 -9.525 22.193 19.494 30 HG3 GLU 3 3HG GLU 3 -10.961 22.246 20.511 31 H ALA 4 H ALA 4 -12.760 22.433 15.973 32 HA ALA 4 HA ALA 4 -14.518 20.045 16.108 33 HB1 ALA 4 1HB ALA 4 -15.402 21.930 14.771 34 HB2 ALA 4 2HB ALA 4 -15.103 20.507 13.775 35 HB3 ALA 4 3HB ALA 4 -13.975 21.865 13.732 36 H HIS 5 H HIS 5 -11.329 21.168 15.176 37 HA HIS 5 HA HIS 5 -10.500 18.401 14.623 38 HB2 HIS 5 2HB HIS 5 -10.062 20.686 12.644 39 HB3 HIS 5 3HB HIS 5 -9.100 19.217 12.625 40 HD1 HIS 5 HD1 HIS 5 -12.279 20.640 11.455 41 HD2 HIS 5 HD2 HIS 5 -10.601 16.855 11.888 42 HE1 HIS 5 HE1 HIS 5 -13.699 19.099 10.064 43 HE2 HIS 5 HE2 HIS 5 -12.695 16.816 10.386 44 H TYR 6 H TYR 6 -9.400 18.525 16.630 45 HA TYR 6 HA TYR 6 -7.060 20.166 16.953 46 HB2 TYR 6 2HB TYR 6 -6.411 18.505 18.723 47 HB3 TYR 6 3HB TYR 6 -8.035 19.138 18.941 48 HD1 TYR 6 HD1 TYR 6 -10.021 17.674 18.575 49 HD2 TYR 6 HD2 TYR 6 -6.054 16.101 18.255 50 HE1 TYR 6 HE1 TYR 6 -10.913 15.394 18.740 51 HE2 TYR 6 HE2 TYR 6 -6.953 13.816 18.413 52 HH TYR 6 HH TYR 6 -10.273 13.107 18.118 53 H THR 7 H THR 7 -7.850 17.218 15.314 54 HA THR 7 HA THR 7 -5.255 16.256 14.708 55 HB THR 7 HB THR 7 -7.867 15.857 13.176 56 HG1 THR 7 HG1 THR 7 -6.755 14.529 15.431 57 HG21 THR 7 1HG2 THR 7 -5.359 14.123 13.241 58 HG22 THR 7 2HG2 THR 7 -5.884 15.114 11.874 59 HG23 THR 7 3HG2 THR 7 -6.863 13.741 12.395 60 H ASN 8 H ASN 8 -3.801 17.203 13.392 61 HA ASN 8 HA ASN 8 -4.634 18.893 11.113 62 HB2 ASN 8 2HB ASN 8 -2.878 19.776 12.720 63 HB3 ASN 8 3HB ASN 8 -1.819 18.458 12.225 64 HD21 ASN 8 1HD2 ASN 8 -0.926 18.515 10.100 65 HD22 ASN 8 2HD2 ASN 8 -0.913 19.958 9.153 66 H LEU 9 H LEU 9 -4.497 18.065 9.077 67 HA LEU 9 HA LEU 9 -3.995 15.329 8.562 68 HB2 LEU 9 2HB LEU 9 -4.233 17.665 6.625 69 HB3 LEU 9 3HB LEU 9 -4.285 15.970 6.157 70 HG LEU 9 HG LEU 9 -6.340 17.375 7.927 71 HD11 LEU 9 1HD1 LEU 9 -6.583 16.458 5.043 72 HD12 LEU 9 2HD1 LEU 9 -6.497 18.127 5.612 73 HD13 LEU 9 3HD1 LEU 9 -7.882 17.129 6.037 74 HD21 LEU 9 1HD2 LEU 9 -7.664 15.302 7.726 75 HD22 LEU 9 2HD2 LEU 9 -6.134 15.023 8.553 76 HD23 LEU 9 3HD2 LEU 9 -6.327 14.527 6.870 77 H LYS 10 H LYS 10 -1.994 14.628 9.016 78 HA LYS 10 HA LYS 10 0.376 15.865 7.732 79 HB2 LYS 10 2HB LYS 10 0.148 14.214 10.282 80 HB3 LYS 10 3HB LYS 10 1.681 14.707 9.560 81 HG2 LYS 10 2HG LYS 10 1.100 17.068 9.890 82 HG3 LYS 10 3HG LYS 10 -0.475 16.611 10.551 83 HD2 LYS 10 2HD LYS 10 0.650 15.480 12.447 84 HD3 LYS 10 3HD LYS 10 2.227 15.910 11.777 85 HE2 LYS 10 2HE LYS 10 1.624 18.315 12.019 86 HE3 LYS 10 3HE LYS 10 0.103 17.835 12.774 87 HZ1 LYS 10 1HZ LYS 10 1.696 18.389 14.444 88 HZ2 LYS 10 2HZ LYS 10 2.839 17.327 13.808 89 HZ3 LYS 10 3HZ LYS 10 1.424 16.725 14.513 90 H CYS 11 H CYS 11 0.939 12.672 8.960 91 HA CYS 11 HA CYS 11 0.835 11.529 6.280 92 HB2 CYS 11 2HB CYS 11 1.797 9.492 7.530 93 HB3 CYS 11 3HB CYS 11 2.805 10.931 7.487 94 H ARG 12 H ARG 12 -1.042 10.701 5.597 95 HA ARG 12 HA ARG 12 -3.243 10.200 7.423 96 HB2 ARG 12 2HB ARG 12 -3.796 11.490 5.470 97 HB3 ARG 12 3HB ARG 12 -2.996 10.361 4.395 98 HG2 ARG 12 2HG ARG 12 -5.401 10.197 4.115 99 HG3 ARG 12 3HG ARG 12 -4.786 8.697 4.803 100 HD2 ARG 12 2HD ARG 12 -5.655 9.272 6.992 101 HD3 ARG 12 3HD ARG 12 -6.094 10.897 6.448 102 HE ARG 12 HE ARG 12 -7.476 9.249 4.773 103 HH11 ARG 12 1HH1 ARG 12 -7.320 9.467 8.289 104 HH12 ARG 12 2HH1 ARG 12 -8.945 8.908 8.513 105 HH21 ARG 12 1HH2 ARG 12 -9.622 8.568 5.097 106 HH22 ARG 12 2HH2 ARG 12 -10.246 8.399 6.702 107 H CYS 13 H CYS 13 -3.631 8.235 8.205 108 HA CYS 13 HA CYS 13 -2.958 5.793 6.734 109 HB2 CYS 13 2HB CYS 13 -0.936 6.408 8.077 110 HB3 CYS 13 3HB CYS 13 -1.914 6.373 9.543 111 H SER 14 H SER 14 -4.952 4.968 6.649 112 HA SER 14 HA SER 14 -7.033 5.301 8.523 113 HB2 SER 14 2HB SER 14 -8.107 3.405 7.192 114 HB3 SER 14 3HB SER 14 -7.551 4.767 6.218 115 HG SER 14 HG SER 14 -6.951 2.334 5.778 116 H GLY 15 H GLY 15 -4.882 2.555 7.848 117 HA2 GLY 15 2HA GLY 15 -4.278 1.734 10.397 118 HA3 GLY 15 3HA GLY 15 -5.792 0.910 10.018 119 H VAL 16 H VAL 16 -3.758 -0.733 10.472 120 HA VAL 16 HA VAL 16 -2.520 -1.428 7.881 121 HB VAL 16 HB VAL 16 -0.863 -2.741 9.080 122 HG11 VAL 16 1HG1 VAL 16 0.335 -0.963 10.305 123 HG12 VAL 16 2HG1 VAL 16 -1.142 0.002 10.359 124 HG13 VAL 16 3HG1 VAL 16 -0.377 -0.354 8.808 125 HG21 VAL 16 1HG2 VAL 16 -2.208 -3.610 10.952 126 HG22 VAL 16 2HG2 VAL 16 -2.253 -2.009 11.691 127 HG23 VAL 16 3HG2 VAL 16 -0.720 -2.870 11.545 128 H ILE 17 H ILE 17 -2.563 -3.577 7.180 129 HA ILE 17 HA ILE 17 -5.176 -4.769 7.577 130 HB ILE 17 HB ILE 17 -4.705 -6.123 5.576 131 HG12 ILE 17 2HG1 ILE 17 -1.937 -4.812 5.443 132 HG13 ILE 17 3HG1 ILE 17 -2.221 -6.469 5.946 133 HG21 ILE 17 1HG2 ILE 17 -4.557 -4.281 3.938 134 HG22 ILE 17 2HG2 ILE 17 -3.955 -3.205 5.195 135 HG23 ILE 17 3HG2 ILE 17 -5.594 -3.848 5.298 136 HD11 ILE 17 1HD1 ILE 17 -2.716 -5.299 3.212 137 HD12 ILE 17 2HD1 ILE 17 -3.133 -6.945 3.697 138 HD13 ILE 17 3HD1 ILE 17 -1.447 -6.428 3.689 139 H SER 18 H SER 18 -5.607 -6.526 8.726 140 HA SER 18 HA SER 18 -3.592 -8.384 9.703 141 HB2 SER 18 2HB SER 18 -6.638 -8.594 9.822 142 HB3 SER 18 3HB SER 18 -5.479 -9.511 10.789 143 HG SER 18 HG SER 18 -5.443 -7.911 12.138 144 H THR 19 H THR 19 -6.191 -8.302 7.303 145 HA THR 19 HA THR 19 -5.539 -10.932 6.187 146 HB THR 19 HB THR 19 -7.662 -8.898 5.341 147 HG1 THR 19 HG1 THR 19 -7.565 -10.327 7.543 148 HG21 THR 19 1HG2 THR 19 -7.435 -11.876 4.704 149 HG22 THR 19 2HG2 THR 19 -7.145 -10.556 3.562 150 HG23 THR 19 3HG2 THR 19 -8.760 -10.818 4.229 151 H VAL 20 H VAL 20 -4.240 -11.102 4.405 152 HA VAL 20 HA VAL 20 -2.884 -8.885 3.256 153 HB VAL 20 HB VAL 20 -1.922 -10.410 1.556 154 HG11 VAL 20 1HG1 VAL 20 -0.648 -11.884 3.037 155 HG12 VAL 20 2HG1 VAL 20 -1.827 -11.658 4.323 156 HG13 VAL 20 3HG1 VAL 20 -0.856 -10.292 3.772 157 HG21 VAL 20 1HG2 VAL 20 -3.875 -11.878 1.116 158 HG22 VAL 20 2HG2 VAL 20 -3.652 -12.651 2.683 159 HG23 VAL 20 3HG2 VAL 20 -2.413 -12.809 1.445 160 H VAL 21 H VAL 21 -3.364 -7.621 1.559 161 HA VAL 21 HA VAL 21 -6.040 -7.745 0.438 162 HB VAL 21 HB VAL 21 -3.847 -5.630 0.257 163 HG11 VAL 21 1HG1 VAL 21 -5.516 -4.129 -0.773 164 HG12 VAL 21 2HG1 VAL 21 -6.680 -5.449 -0.822 165 HG13 VAL 21 3HG1 VAL 21 -5.218 -5.533 -1.803 166 HG21 VAL 21 1HG2 VAL 21 -6.484 -5.705 1.774 167 HG22 VAL 21 2HG2 VAL 21 -5.376 -4.335 1.736 168 HG23 VAL 21 3HG2 VAL 21 -4.874 -5.854 2.480 169 H GLY 22 H GLY 22 -6.568 -8.281 -1.585 170 HA2 GLY 22 2HA GLY 22 -4.893 -9.970 -3.073 171 HA3 GLY 22 3HA GLY 22 -6.457 -9.360 -3.578 172 H LEU 23 H LEU 23 -3.578 -9.668 -4.748 173 HA LEU 23 HA LEU 23 -2.601 -7.211 -5.661 174 HB2 LEU 23 2HB LEU 23 -1.461 -9.424 -5.793 175 HB3 LEU 23 3HB LEU 23 -2.557 -9.923 -7.061 176 HG LEU 23 HG LEU 23 -0.821 -7.477 -7.532 177 HD11 LEU 23 1HD1 LEU 23 0.219 -10.318 -7.831 178 HD12 LEU 23 2HD1 LEU 23 0.782 -9.119 -6.663 179 HD13 LEU 23 3HD1 LEU 23 1.029 -8.850 -8.386 180 HD21 LEU 23 1HD2 LEU 23 -0.861 -8.232 -9.881 181 HD22 LEU 23 2HD2 LEU 23 -2.496 -8.059 -9.249 182 HD23 LEU 23 3HD2 LEU 23 -1.784 -9.666 -9.417 183 H ASN 24 H ASN 24 -5.247 -9.192 -6.826 184 HA ASN 24 HA ASN 24 -5.811 -7.962 -9.286 185 HB2 ASN 24 2HB ASN 24 -6.727 -10.154 -8.676 186 HB3 ASN 24 3HB ASN 24 -7.638 -9.441 -7.351 187 HD21 ASN 24 1HD2 ASN 24 -7.389 -9.697 -10.832 188 HD22 ASN 24 2HD2 ASN 24 -9.014 -9.225 -11.180 189 H ILE 25 H ILE 25 -6.714 -7.061 -5.959 190 HA ILE 25 HA ILE 25 -8.543 -4.988 -7.001 191 HB ILE 25 HB ILE 25 -9.516 -4.736 -4.814 192 HG12 ILE 25 2HG1 ILE 25 -7.531 -6.789 -3.720 193 HG13 ILE 25 3HG1 ILE 25 -7.435 -5.054 -3.436 194 HG21 ILE 25 1HG2 ILE 25 -10.383 -6.575 -6.193 195 HG22 ILE 25 2HG2 ILE 25 -10.506 -6.978 -4.481 196 HG23 ILE 25 3HG2 ILE 25 -9.228 -7.695 -5.467 197 HD11 ILE 25 1HD1 ILE 25 -9.693 -6.850 -2.537 198 HD12 ILE 25 2HD1 ILE 25 -9.566 -5.112 -2.247 199 HD13 ILE 25 3HD1 ILE 25 -8.393 -6.214 -1.532 200 H ILE 26 H ILE 26 -5.297 -5.200 -6.022 201 HA ILE 26 HA ILE 26 -4.931 -2.584 -4.931 202 HB ILE 26 HB ILE 26 -2.978 -4.228 -6.624 203 HG12 ILE 26 2HG1 ILE 26 -3.627 -5.391 -4.507 204 HG13 ILE 26 3HG1 ILE 26 -1.926 -4.960 -4.531 205 HG21 ILE 26 1HG2 ILE 26 -1.172 -2.808 -5.682 206 HG22 ILE 26 2HG2 ILE 26 -2.381 -1.813 -4.864 207 HG23 ILE 26 3HG2 ILE 26 -2.323 -1.858 -6.627 208 HD11 ILE 26 1HD1 ILE 26 -2.470 -3.016 -3.067 209 HD12 ILE 26 2HD1 ILE 26 -2.793 -4.597 -2.362 210 HD13 ILE 26 3HD1 ILE 26 -4.126 -3.626 -2.967 211 H ASP 27 H ASP 27 -5.857 -0.904 -5.966 212 HA ASP 27 HA ASP 27 -6.001 -0.722 -8.876 213 HB2 ASP 27 2HB ASP 27 -7.976 -0.060 -7.608 214 HB3 ASP 27 3HB ASP 27 -7.046 1.068 -6.634 215 H ARG 28 H ARG 28 -4.716 1.258 -6.174 216 HA ARG 28 HA ARG 28 -2.493 2.161 -7.861 217 HB2 ARG 28 2HB ARG 28 -4.462 3.730 -8.252 218 HB3 ARG 28 3HB ARG 28 -4.353 4.199 -6.560 219 HG2 ARG 28 2HG ARG 28 -2.090 5.096 -6.928 220 HG3 ARG 28 3HG ARG 28 -2.126 4.541 -8.606 221 HD2 ARG 28 2HD ARG 28 -3.918 6.663 -7.371 222 HD3 ARG 28 3HD ARG 28 -2.585 6.943 -8.498 223 HE ARG 28 HE ARG 28 -4.526 5.162 -9.595 224 HH11 ARG 28 1HH1 ARG 28 -3.954 8.590 -9.027 225 HH12 ARG 28 2HH1 ARG 28 -4.996 9.094 -10.317 226 HH21 ARG 28 1HH2 ARG 28 -5.917 5.833 -11.245 227 HH22 ARG 28 2HH2 ARG 28 -6.111 7.525 -11.577 228 H ILE 29 H ILE 29 -0.731 2.817 -6.727 229 HA ILE 29 HA ILE 29 -0.722 2.391 -3.796 230 HB ILE 29 HB ILE 29 1.512 2.153 -5.872 231 HG12 ILE 29 2HG1 ILE 29 0.157 0.004 -4.176 232 HG13 ILE 29 3HG1 ILE 29 -0.083 0.253 -5.900 233 HG21 ILE 29 1HG2 ILE 29 2.447 3.040 -3.785 234 HG22 ILE 29 2HG2 ILE 29 2.991 1.383 -4.049 235 HG23 ILE 29 3HG2 ILE 29 1.715 1.716 -2.879 236 HD11 ILE 29 1HD1 ILE 29 2.497 -0.627 -4.587 237 HD12 ILE 29 2HD1 ILE 29 2.250 -0.368 -6.317 238 HD13 ILE 29 3HD1 ILE 29 1.364 -1.639 -5.482 239 H GLN 30 H GLN 30 -0.680 4.266 -2.697 240 HA GLN 30 HA GLN 30 0.815 6.617 -3.730 241 HB2 GLN 30 2HB GLN 30 -1.609 6.940 -3.130 242 HB3 GLN 30 3HB GLN 30 -1.252 6.457 -1.484 243 HG2 GLN 30 2HG GLN 30 0.201 8.440 -1.212 244 HG3 GLN 30 3HG GLN 30 -0.134 8.908 -2.880 245 HE21 GLN 30 1HE2 GLN 30 -1.021 10.899 -2.217 246 HE22 GLN 30 2HE2 GLN 30 -2.567 11.010 -1.447 247 H VAL 31 H VAL 31 2.477 7.450 -2.473 248 HA VAL 31 HA VAL 31 3.327 5.957 -0.040 249 HB VAL 31 HB VAL 31 5.112 7.347 -2.112 250 HG11 VAL 31 1HG1 VAL 31 6.089 7.464 0.145 251 HG12 VAL 31 2HG1 VAL 31 7.027 6.379 -0.883 252 HG13 VAL 31 3HG1 VAL 31 5.923 5.712 0.324 253 HG21 VAL 31 1HG2 VAL 31 4.168 5.258 -3.028 254 HG22 VAL 31 2HG2 VAL 31 4.764 4.362 -1.630 255 HG23 VAL 31 3HG2 VAL 31 5.907 5.100 -2.757 256 H THR 32 H THR 32 3.174 7.283 1.766 257 HA THR 32 HA THR 32 3.293 10.193 1.524 258 HB THR 32 HB THR 32 3.218 8.589 4.108 259 HG1 THR 32 HG1 THR 32 1.103 8.372 3.931 260 HG21 THR 32 1HG2 THR 32 2.291 11.415 3.477 261 HG22 THR 32 2HG2 THR 32 3.762 10.987 4.360 262 HG23 THR 32 3HG2 THR 32 2.175 10.618 5.041 263 HA PRO 33 HA PRO 33 7.840 9.781 2.166 264 HB2 PRO 33 2HB PRO 33 7.906 12.679 1.500 265 HB3 PRO 33 3HB PRO 33 8.664 11.320 0.647 266 HG2 PRO 33 2HG PRO 33 6.585 12.665 -0.413 267 HG3 PRO 33 3HG PRO 33 6.805 10.918 -0.674 268 HD2 PRO 33 2HD PRO 33 4.979 12.310 1.290 269 HD3 PRO 33 3HD PRO 33 4.630 10.945 0.202 270 HA PRO 34 HA PRO 34 8.025 11.549 6.314 271 HB2 PRO 34 2HB PRO 34 10.698 11.394 6.839 272 HB3 PRO 34 3HB PRO 34 9.701 9.932 6.665 273 HG2 PRO 34 2HG PRO 34 11.489 11.234 4.616 274 HG3 PRO 34 3HG PRO 34 11.371 9.515 5.067 275 HD2 PRO 34 2HD PRO 34 10.087 10.529 2.880 276 HD3 PRO 34 3HD PRO 34 9.425 9.176 3.827 277 H GLY 35 H GLY 35 8.706 13.467 7.477 278 HA2 GLY 35 2HA GLY 35 9.663 15.576 7.758 279 HA3 GLY 35 3HA GLY 35 10.202 15.570 6.087 280 H ASN 36 H ASN 36 7.247 14.729 5.442 281 HA ASN 36 HA ASN 36 6.302 17.438 4.946 282 HB2 ASN 36 2HB ASN 36 5.143 14.724 4.162 283 HB3 ASN 36 3HB ASN 36 4.498 16.273 3.629 284 HD21 ASN 36 1HD2 ASN 36 5.531 14.060 2.045 285 HD22 ASN 36 2HD2 ASN 36 6.824 14.711 1.094 286 H GLY 37 H GLY 37 6.166 17.708 7.372 287 HA2 GLY 37 2HA GLY 37 4.821 18.213 9.177 288 HA3 GLY 37 3HA GLY 37 3.458 17.484 8.350 289 H CYS 38 H CYS 38 5.395 15.011 8.093 290 HA CYS 38 HA CYS 38 5.128 13.873 10.785 291 HB2 CYS 38 2HB CYS 38 3.029 13.309 9.601 292 HB3 CYS 38 3HB CYS 38 3.936 12.658 8.241 293 HA PRO 39 HA PRO 39 9.145 12.427 9.229 294 HB2 PRO 39 2HB PRO 39 10.197 11.486 11.516 295 HB3 PRO 39 3HB PRO 39 9.789 13.211 11.377 296 HG2 PRO 39 2HG PRO 39 8.247 11.020 12.742 297 HG3 PRO 39 3HG PRO 39 8.570 12.677 13.301 298 HD2 PRO 39 2HD PRO 39 6.208 11.867 12.028 299 HD3 PRO 39 3HD PRO 39 6.776 13.548 12.134 300 H LYS 40 H LYS 40 6.802 10.653 8.774 301 HA LYS 40 HA LYS 40 7.963 7.962 9.234 302 HB2 LYS 40 2HB LYS 40 5.039 8.840 9.319 303 HB3 LYS 40 3HB LYS 40 5.556 7.157 9.325 304 HG2 LYS 40 2HG LYS 40 6.228 9.217 11.454 305 HG3 LYS 40 3HG LYS 40 4.993 7.958 11.586 306 HD2 LYS 40 2HD LYS 40 6.788 6.223 11.354 307 HD3 LYS 40 3HD LYS 40 7.999 7.510 11.309 308 HE2 LYS 40 2HE LYS 40 7.843 6.490 13.544 309 HE3 LYS 40 3HE LYS 40 7.385 8.189 13.591 310 HZ1 LYS 40 1HZ LYS 40 5.064 7.527 13.622 311 HZ2 LYS 40 2HZ LYS 40 5.898 6.814 14.906 312 HZ3 LYS 40 3HZ LYS 40 5.494 5.892 13.551 313 H THR 41 H THR 41 8.415 6.905 7.437 314 HA THR 41 HA THR 41 7.272 7.568 4.837 315 HB THR 41 HB THR 41 9.239 5.341 5.557 316 HG1 THR 41 HG1 THR 41 9.768 7.764 5.929 317 HG21 THR 41 1HG2 THR 41 8.649 6.687 2.878 318 HG22 THR 41 2HG2 THR 41 8.166 5.047 3.330 319 HG23 THR 41 3HG2 THR 41 9.876 5.455 3.160 320 H GLU 42 H GLU 42 5.422 6.583 4.154 321 HA GLU 42 HA GLU 42 4.833 3.789 4.905 322 HB2 GLU 42 2HB GLU 42 2.443 4.416 5.500 323 HB3 GLU 42 3HB GLU 42 3.659 4.940 6.665 324 HG2 GLU 42 2HG GLU 42 3.609 7.213 5.634 325 HG3 GLU 42 3HG GLU 42 2.297 6.659 4.585 326 H VAL 43 H VAL 43 2.998 2.937 3.696 327 HA VAL 43 HA VAL 43 2.740 4.058 0.972 328 HB VAL 43 HB VAL 43 2.939 1.112 1.766 329 HG11 VAL 43 1HG1 VAL 43 2.660 2.365 -0.987 330 HG12 VAL 43 2HG1 VAL 43 1.433 1.418 -0.140 331 HG13 VAL 43 3HG1 VAL 43 2.929 0.651 -0.666 332 HG21 VAL 43 1HG2 VAL 43 4.939 2.831 0.246 333 HG22 VAL 43 2HG2 VAL 43 5.082 1.093 0.526 334 HG23 VAL 43 3HG2 VAL 43 5.139 2.213 1.890 335 H VAL 44 H VAL 44 0.749 4.866 1.012 336 HA VAL 44 HA VAL 44 -1.521 3.564 2.349 337 HB VAL 44 HB VAL 44 -1.266 6.300 0.978 338 HG11 VAL 44 1HG1 VAL 44 -3.350 6.920 2.131 339 HG12 VAL 44 2HG1 VAL 44 -3.472 5.289 2.797 340 HG13 VAL 44 3HG1 VAL 44 -3.605 5.541 1.053 341 HG21 VAL 44 1HG2 VAL 44 -1.131 5.653 3.948 342 HG22 VAL 44 2HG2 VAL 44 -1.108 7.270 3.243 343 HG23 VAL 44 3HG2 VAL 44 0.225 6.157 2.935 344 H ILE 45 H ILE 45 -2.564 2.061 1.014 345 HA ILE 45 HA ILE 45 -2.491 2.523 -1.925 346 HB ILE 45 HB ILE 45 -2.763 -0.118 -0.435 347 HG12 ILE 45 2HG1 ILE 45 -0.477 1.003 -2.113 348 HG13 ILE 45 3HG1 ILE 45 -0.485 0.858 -0.359 349 HG21 ILE 45 1HG2 ILE 45 -2.636 -1.220 -2.650 350 HG22 ILE 45 2HG2 ILE 45 -2.672 0.363 -3.430 351 HG23 ILE 45 3HG2 ILE 45 -4.070 -0.198 -2.512 352 HD11 ILE 45 1HD1 ILE 45 -0.577 -1.455 -2.294 353 HD12 ILE 45 2HD1 ILE 45 -0.500 -1.552 -0.530 354 HD13 ILE 45 3HD1 ILE 45 0.839 -0.860 -1.433 355 H TRP 46 H TRP 46 -4.310 2.663 -3.030 356 HA TRP 46 HA TRP 46 -6.933 2.526 -1.697 357 HB2 TRP 46 2HB TRP 46 -6.009 3.884 -4.281 358 HB3 TRP 46 3HB TRP 46 -7.659 3.926 -3.661 359 HD1 TRP 46 HD1 TRP 46 -4.097 5.170 -2.671 360 HE1 TRP 46 HE1 TRP 46 -4.363 7.261 -1.195 361 HE3 TRP 46 HE3 TRP 46 -9.205 5.242 -2.263 362 HZ2 TRP 46 HZ2 TRP 46 -6.455 8.757 -0.037 363 HZ3 TRP 46 HZ3 TRP 46 -10.259 7.044 -0.959 364 HH2 TRP 46 HH2 TRP 46 -8.909 8.767 0.134 365 H THR 47 H THR 47 -8.178 0.781 -2.180 366 HA THR 47 HA THR 47 -7.402 -1.122 -4.236 367 HB THR 47 HB THR 47 -9.243 -2.511 -3.419 368 HG1 THR 47 HG1 THR 47 -10.641 -1.652 -1.764 369 HG21 THR 47 1HG2 THR 47 -7.208 -2.539 -2.011 370 HG22 THR 47 2HG2 THR 47 -8.653 -2.741 -1.019 371 HG23 THR 47 3HG2 THR 47 -7.828 -1.182 -1.061 372 H LYS 48 H LYS 48 -9.420 -2.042 -5.582 373 HA LYS 48 HA LYS 48 -10.318 -0.098 -7.428 374 HB2 LYS 48 2HB LYS 48 -11.406 -2.904 -6.908 375 HB3 LYS 48 3HB LYS 48 -11.828 -1.912 -8.303 376 HG2 LYS 48 2HG LYS 48 -9.398 -1.917 -8.962 377 HG3 LYS 48 3HG LYS 48 -9.085 -3.051 -7.646 378 HD2 LYS 48 2HD LYS 48 -10.893 -3.530 -10.057 379 HD3 LYS 48 3HD LYS 48 -9.298 -4.239 -9.793 380 HE2 LYS 48 2HE LYS 48 -10.220 -5.368 -7.737 381 HE3 LYS 48 3HE LYS 48 -11.819 -4.761 -8.176 382 HZ1 LYS 48 1HZ LYS 48 -11.662 -5.993 -10.253 383 HZ2 LYS 48 2HZ LYS 48 -11.511 -7.024 -8.930 384 HZ3 LYS 48 3HZ LYS 48 -10.139 -6.583 -9.821 385 H MET 49 H MET 49 -11.649 -1.308 -4.468 386 HA MET 49 HA MET 49 -14.269 -0.068 -4.731 387 HB2 MET 49 2HB MET 49 -12.957 -1.483 -2.361 388 HB3 MET 49 3HB MET 49 -14.649 -1.007 -2.461 389 HG2 MET 49 2HG MET 49 -14.474 -3.371 -2.872 390 HG3 MET 49 3HG MET 49 -14.936 -2.570 -4.376 391 HE1 MET 49 1HE MET 49 -12.760 -5.413 -5.881 392 HE2 MET 49 2HE MET 49 -14.242 -4.469 -6.041 393 HE3 MET 49 3HE MET 49 -13.995 -5.493 -4.624 394 H LYS 50 H LYS 50 -11.368 1.258 -4.338 395 HA LYS 50 HA LYS 50 -10.449 3.114 -3.524 396 HB2 LYS 50 2HB LYS 50 -13.360 3.877 -3.203 397 HB3 LYS 50 3HB LYS 50 -12.122 4.948 -2.571 398 HG2 LYS 50 2HG LYS 50 -12.759 5.768 -4.733 399 HG3 LYS 50 3HG LYS 50 -11.135 5.096 -4.874 400 HD2 LYS 50 2HD LYS 50 -12.472 4.476 -6.830 401 HD3 LYS 50 3HD LYS 50 -12.089 3.034 -5.891 402 HE2 LYS 50 2HE LYS 50 -14.353 3.057 -4.915 403 HE3 LYS 50 3HE LYS 50 -14.736 4.532 -5.810 404 HZ1 LYS 50 1HZ LYS 50 -14.007 1.942 -7.067 405 HZ2 LYS 50 2HZ LYS 50 -14.509 3.348 -7.861 406 HZ3 LYS 50 3HZ LYS 50 -15.587 2.513 -6.869 407 H LYS 51 H LYS 51 -11.135 0.757 -1.713 408 HA LYS 51 HA LYS 51 -11.462 1.819 0.933 409 HB2 LYS 51 2HB LYS 51 -12.204 -0.493 0.231 410 HB3 LYS 51 3HB LYS 51 -10.522 -0.971 0.079 411 HG2 LYS 51 2HG LYS 51 -11.583 0.064 2.714 412 HG3 LYS 51 3HG LYS 51 -11.881 -1.604 2.233 413 HD2 LYS 51 2HD LYS 51 -9.464 -2.038 2.129 414 HD3 LYS 51 3HD LYS 51 -9.117 -0.349 2.508 415 HE2 LYS 51 2HE LYS 51 -8.832 -1.715 4.511 416 HE3 LYS 51 3HE LYS 51 -10.222 -0.654 4.724 417 HZ1 LYS 51 1HZ LYS 51 -10.356 -3.516 3.942 418 HZ2 LYS 51 2HZ LYS 51 -11.679 -2.503 4.216 419 HZ3 LYS 51 3HZ LYS 51 -10.658 -2.914 5.491 420 H VAL 52 H VAL 52 -9.917 2.439 2.279 421 HA VAL 52 HA VAL 52 -7.237 2.878 1.210 422 HB VAL 52 HB VAL 52 -8.510 4.001 3.761 423 HG11 VAL 52 1HG1 VAL 52 -6.689 5.664 3.691 424 HG12 VAL 52 2HG1 VAL 52 -6.033 4.892 2.248 425 HG13 VAL 52 3HG1 VAL 52 -6.030 4.026 3.787 426 HG21 VAL 52 1HG2 VAL 52 -8.287 5.285 1.010 427 HG22 VAL 52 2HG2 VAL 52 -8.839 6.099 2.477 428 HG23 VAL 52 3HG2 VAL 52 -9.782 4.772 1.799 429 H ILE 53 H ILE 53 -5.765 1.353 1.694 430 HA ILE 53 HA ILE 53 -5.619 0.326 4.466 431 HB ILE 53 HB ILE 53 -4.395 -1.574 3.757 432 HG12 ILE 53 2HG1 ILE 53 -4.021 -0.350 0.983 433 HG13 ILE 53 3HG1 ILE 53 -2.787 -0.421 2.235 434 HG21 ILE 53 1HG2 ILE 53 -6.763 -1.778 3.174 435 HG22 ILE 53 2HG2 ILE 53 -5.776 -2.679 2.029 436 HG23 ILE 53 3HG2 ILE 53 -6.456 -1.113 1.570 437 HD11 ILE 53 1HD1 ILE 53 -3.999 -2.740 0.746 438 HD12 ILE 53 2HD1 ILE 53 -2.927 -2.911 2.139 439 HD13 ILE 53 3HD1 ILE 53 -2.346 -2.139 0.670 440 H CYS 54 H CYS 54 -3.478 0.335 5.404 441 HA CYS 54 HA CYS 54 -1.499 2.185 4.252 442 HB2 CYS 54 2HB CYS 54 -2.820 3.595 5.710 443 HB3 CYS 54 3HB CYS 54 -2.805 2.391 6.995 444 H VAL 55 H VAL 55 0.347 1.061 4.196 445 HA VAL 55 HA VAL 55 1.131 -0.737 6.415 446 HB VAL 55 HB VAL 55 2.071 -2.388 4.759 447 HG11 VAL 55 1HG1 VAL 55 -0.104 -2.853 5.801 448 HG12 VAL 55 2HG1 VAL 55 -0.028 -3.507 4.165 449 HG13 VAL 55 3HG1 VAL 55 -0.933 -2.021 4.480 450 HG21 VAL 55 1HG2 VAL 55 0.522 -0.828 2.652 451 HG22 VAL 55 2HG2 VAL 55 1.380 -2.354 2.396 452 HG23 VAL 55 3HG2 VAL 55 2.280 -0.892 2.805 453 H ASN 56 H ASN 56 3.459 -1.022 6.559 454 HA ASN 56 HA ASN 56 5.066 1.198 5.623 455 HB2 ASN 56 2HB ASN 56 5.807 -1.335 7.169 456 HB3 ASN 56 3HB ASN 56 6.962 -0.064 6.771 457 HD21 ASN 56 1HD2 ASN 56 7.379 0.321 8.961 458 HD22 ASN 56 2HD2 ASN 56 6.251 1.133 9.982 459 HA PRO 57 HA PRO 57 6.501 -0.467 1.713 460 HB2 PRO 57 2HB PRO 57 9.199 0.282 1.702 461 HB3 PRO 57 3HB PRO 57 7.845 1.380 1.360 462 HG2 PRO 57 2HG PRO 57 9.314 0.976 3.959 463 HG3 PRO 57 3HG PRO 57 8.838 2.494 3.164 464 HD2 PRO 57 2HD PRO 57 7.386 1.542 5.194 465 HD3 PRO 57 3HD PRO 57 6.574 2.270 3.787 466 H ARG 58 H ARG 58 7.948 -1.579 4.635 467 HA ARG 58 HA ARG 58 9.473 -3.754 3.415 468 HB2 ARG 58 2HB ARG 58 9.156 -2.849 6.304 469 HB3 ARG 58 3HB ARG 58 10.176 -4.193 5.802 470 HG2 ARG 58 2HG ARG 58 10.576 -1.337 4.816 471 HG3 ARG 58 3HG ARG 58 11.400 -2.014 6.221 472 HD2 ARG 58 2HD ARG 58 12.472 -3.709 4.819 473 HD3 ARG 58 3HD ARG 58 11.601 -3.131 3.398 474 HE ARG 58 HE ARG 58 12.931 -0.931 4.263 475 HH11 ARG 58 1HH1 ARG 58 14.008 -4.187 3.434 476 HH12 ARG 58 2HH1 ARG 58 15.571 -3.653 2.907 477 HH21 ARG 58 1HH2 ARG 58 14.955 -0.266 3.534 478 HH22 ARG 58 2HH2 ARG 58 16.103 -1.432 2.963 479 H ALA 59 H ALA 59 6.364 -3.545 3.618 480 HA ALA 59 HA ALA 59 5.585 -6.000 4.916 481 HB1 ALA 59 1HB ALA 59 3.466 -5.673 3.522 482 HB2 ALA 59 2HB ALA 59 4.204 -4.199 2.895 483 HB3 ALA 59 3HB ALA 59 3.875 -4.351 4.612 484 H LYS 60 H LYS 60 5.709 -8.051 4.103 485 HA LYS 60 HA LYS 60 7.466 -8.585 1.933 486 HB2 LYS 60 2HB LYS 60 5.709 -10.494 3.530 487 HB3 LYS 60 3HB LYS 60 6.969 -11.007 2.416 488 HG2 LYS 60 2HG LYS 60 7.472 -9.348 4.914 489 HG3 LYS 60 3HG LYS 60 7.590 -11.102 4.846 490 HD2 LYS 60 2HD LYS 60 9.823 -10.474 4.610 491 HD3 LYS 60 3HD LYS 60 9.344 -10.674 2.927 492 HE2 LYS 60 2HE LYS 60 9.122 -8.239 2.695 493 HE3 LYS 60 3HE LYS 60 9.483 -8.026 4.410 494 HZ1 LYS 60 1HZ LYS 60 11.341 -9.191 2.404 495 HZ2 LYS 60 2HZ LYS 60 11.685 -8.923 4.037 496 HZ3 LYS 60 3HZ LYS 60 11.411 -7.617 3.005 497 H TRP 61 H TRP 61 3.936 -8.856 2.245 498 HA TRP 61 HA TRP 61 3.412 -10.126 -0.225 499 HB2 TRP 61 2HB TRP 61 1.091 -9.530 0.103 500 HB3 TRP 61 3HB TRP 61 1.756 -9.884 1.690 501 HD1 TRP 61 HD1 TRP 61 2.018 -7.757 3.406 502 HE1 TRP 61 HE1 TRP 61 0.895 -5.448 3.444 503 HE3 TRP 61 HE3 TRP 61 0.158 -7.682 -1.356 504 HZ2 TRP 61 HZ2 TRP 61 -0.590 -3.812 1.691 505 HZ3 TRP 61 HZ3 TRP 61 -1.103 -5.709 -2.098 506 HH2 TRP 61 HH2 TRP 61 -1.469 -3.811 -0.604 507 H LEU 62 H LEU 62 3.967 -6.796 0.680 508 HA LEU 62 HA LEU 62 3.221 -5.592 -1.821 509 HB2 LEU 62 2HB LEU 62 3.055 -4.416 0.368 510 HB3 LEU 62 3HB LEU 62 4.803 -4.507 0.522 511 HG LEU 62 HG LEU 62 5.039 -3.027 -1.495 512 HD11 LEU 62 1HD1 LEU 62 3.061 -1.757 -2.289 513 HD12 LEU 62 2HD1 LEU 62 2.025 -2.840 -1.350 514 HD13 LEU 62 3HD1 LEU 62 2.998 -3.471 -2.674 515 HD21 LEU 62 1HD2 LEU 62 4.457 -0.949 -0.395 516 HD22 LEU 62 2HD2 LEU 62 5.116 -2.085 0.778 517 HD23 LEU 62 3HD2 LEU 62 3.377 -1.796 0.715 518 H GLN 63 H GLN 63 6.214 -6.756 -0.297 519 HA GLN 63 HA GLN 63 8.060 -5.673 -2.130 520 HB2 GLN 63 2HB GLN 63 8.798 -6.658 0.016 521 HB3 GLN 63 3HB GLN 63 8.303 -8.259 -0.529 522 HG2 GLN 63 2HG GLN 63 9.990 -8.166 -2.346 523 HG3 GLN 63 3HG GLN 63 10.476 -6.557 -1.819 524 HE21 GLN 63 1HE2 GLN 63 12.053 -9.014 -2.077 525 HE22 GLN 63 2HE2 GLN 63 12.752 -9.283 -0.517 526 H ARG 64 H ARG 64 6.005 -8.530 -2.250 527 HA ARG 64 HA ARG 64 6.976 -9.777 -4.574 528 HB2 ARG 64 2HB ARG 64 5.295 -10.803 -3.068 529 HB3 ARG 64 3HB ARG 64 4.113 -9.589 -3.547 530 HG2 ARG 64 2HG ARG 64 4.202 -10.482 -5.886 531 HG3 ARG 64 3HG ARG 64 5.318 -11.736 -5.334 532 HD2 ARG 64 2HD ARG 64 3.592 -12.623 -3.814 533 HD3 ARG 64 3HD ARG 64 2.479 -11.343 -4.314 534 HE ARG 64 HE ARG 64 3.366 -12.809 -6.572 535 HH11 ARG 64 1HH1 ARG 64 1.170 -13.117 -3.835 536 HH12 ARG 64 2HH1 ARG 64 0.120 -14.233 -4.648 537 HH21 ARG 64 1HH2 ARG 64 1.981 -14.267 -7.630 538 HH22 ARG 64 2HH2 ARG 64 0.586 -14.885 -6.807 539 H LEU 65 H LEU 65 4.655 -7.119 -4.124 540 HA LEU 65 HA LEU 65 3.989 -6.672 -6.843 541 HB2 LEU 65 2HB LEU 65 3.783 -5.053 -4.313 542 HB3 LEU 65 3HB LEU 65 3.562 -4.206 -5.822 543 HG LEU 65 HG LEU 65 1.416 -4.779 -4.777 544 HD11 LEU 65 1HD1 LEU 65 1.557 -4.611 -7.244 545 HD12 LEU 65 2HD1 LEU 65 0.261 -5.656 -6.677 546 HD13 LEU 65 3HD1 LEU 65 1.730 -6.369 -7.337 547 HD21 LEU 65 1HD2 LEU 65 0.599 -7.100 -4.603 548 HD22 LEU 65 2HD2 LEU 65 1.989 -6.813 -3.562 549 HD23 LEU 65 3HD2 LEU 65 2.193 -7.703 -5.074 550 H LEU 66 H LEU 66 6.530 -5.339 -4.727 551 HA LEU 66 HA LEU 66 7.575 -3.422 -6.549 552 HB2 LEU 66 2HB LEU 66 8.971 -4.784 -4.211 553 HB3 LEU 66 3HB LEU 66 9.544 -3.341 -5.034 554 HG LEU 66 HG LEU 66 7.042 -3.568 -3.308 555 HD11 LEU 66 1HD1 LEU 66 9.594 -2.003 -2.824 556 HD12 LEU 66 2HD1 LEU 66 9.133 -3.504 -2.020 557 HD13 LEU 66 3HD1 LEU 66 8.172 -2.051 -1.777 558 HD21 LEU 66 1HD2 LEU 66 6.756 -1.139 -3.625 559 HD22 LEU 66 2HD2 LEU 66 6.571 -2.022 -5.133 560 HD23 LEU 66 3HD2 LEU 66 8.063 -1.135 -4.813 561 H ARG 67 H ARG 67 8.227 -6.832 -6.020 562 HA ARG 67 HA ARG 67 10.495 -7.035 -7.795 563 HB2 ARG 67 2HB ARG 67 8.715 -9.104 -6.441 564 HB3 ARG 67 3HB ARG 67 10.058 -9.560 -7.481 565 HG2 ARG 67 2HG ARG 67 10.439 -7.835 -5.010 566 HG3 ARG 67 3HG ARG 67 10.455 -9.597 -4.940 567 HD2 ARG 67 2HD ARG 67 12.360 -7.862 -6.563 568 HD3 ARG 67 3HD ARG 67 12.734 -8.691 -5.053 569 HE ARG 67 HE ARG 67 12.028 -10.779 -6.445 570 HH11 ARG 67 1HH1 ARG 67 13.981 -8.090 -7.629 571 HH12 ARG 67 2HH1 ARG 67 14.823 -9.068 -8.785 572 HH21 ARG 67 1HH2 ARG 67 13.106 -12.019 -7.999 573 HH22 ARG 67 2HH2 ARG 67 14.321 -11.290 -8.989 574 H HIS 68 H HIS 68 7.020 -7.254 -8.066 575 HA HIS 68 HA HIS 68 7.023 -8.558 -10.655 576 HB2 HIS 68 2HB HIS 68 5.227 -8.936 -8.942 577 HB3 HIS 68 3HB HIS 68 4.697 -7.269 -9.166 578 HD1 HIS 68 HD1 HIS 68 5.624 -9.790 -11.848 579 HD2 HIS 68 HD2 HIS 68 2.313 -7.667 -10.502 580 HE1 HIS 68 HE1 HIS 68 3.836 -10.189 -13.551 581 HE2 HIS 68 HE2 HIS 68 1.914 -8.749 -12.807 582 H VAL 69 H VAL 69 6.852 -5.211 -9.484 583 HA VAL 69 HA VAL 69 6.011 -4.055 -11.980 584 HB VAL 69 HB VAL 69 6.643 -1.862 -11.142 585 HG11 VAL 69 1HG1 VAL 69 5.311 -3.425 -8.909 586 HG12 VAL 69 2HG1 VAL 69 4.511 -2.723 -10.313 587 HG13 VAL 69 3HG1 VAL 69 5.271 -1.674 -9.118 588 HG21 VAL 69 1HG2 VAL 69 7.742 -1.500 -8.956 589 HG22 VAL 69 2HG2 VAL 69 8.786 -2.348 -10.096 590 HG23 VAL 69 3HG2 VAL 69 7.991 -3.241 -8.803 591 H GLN 70 H GLN 70 9.043 -5.124 -10.671 592 HA GLN 70 HA GLN 70 10.869 -4.001 -12.509 593 HB2 GLN 70 2HB GLN 70 11.319 -5.386 -10.357 594 HB3 GLN 70 3HB GLN 70 11.034 -6.811 -11.333 595 HG2 GLN 70 2HG GLN 70 13.277 -4.795 -11.718 596 HG3 GLN 70 3HG GLN 70 13.434 -6.383 -10.986 597 HE21 GLN 70 1HE2 GLN 70 13.104 -8.256 -12.384 598 HE22 GLN 70 2HE2 GLN 70 13.447 -8.138 -14.078 599 H SER 71 H SER 71 10.977 -4.311 -14.667 600 HA SER 71 HA SER 71 9.062 -5.594 -16.218 601 HB2 SER 71 2HB SER 71 11.882 -4.787 -17.048 602 HB3 SER 71 3HB SER 71 10.516 -5.036 -18.135 603 HG SER 71 HG SER 71 11.170 -2.861 -16.625 604 H LYS 72 H LYS 72 8.969 -7.498 -17.344 605 HA LYS 72 HA LYS 72 9.267 -9.644 -17.933 606 HB2 LYS 72 2HB LYS 72 12.228 -8.963 -17.677 607 HB3 LYS 72 3HB LYS 72 11.611 -10.443 -18.408 608 HG2 LYS 72 2HG LYS 72 10.419 -9.043 -20.122 609 HG3 LYS 72 3HG LYS 72 11.169 -7.610 -19.420 610 HD2 LYS 72 2HD LYS 72 12.451 -8.188 -21.358 611 HD3 LYS 72 3HD LYS 72 13.427 -8.626 -19.959 612 HE2 LYS 72 2HE LYS 72 11.728 -10.634 -21.476 613 HE3 LYS 72 3HE LYS 72 13.399 -10.282 -21.902 614 HZ1 LYS 72 1HZ LYS 72 13.337 -12.210 -20.534 615 HZ2 LYS 72 2HZ LYS 72 12.429 -11.433 -19.345 616 HZ3 LYS 72 3HZ LYS 72 14.028 -10.964 -19.627 617 H SER 73 H SER 73 8.439 -9.401 -15.470 618 HA SER 73 HA SER 73 9.888 -11.245 -13.698 619 HB2 SER 73 2HB SER 73 7.893 -10.716 -12.169 620 HB3 SER 73 3HB SER 73 8.904 -9.341 -12.589 621 HG SER 73 HG SER 73 7.257 -8.442 -13.513 622 H LEU 74 H LEU 74 8.459 -13.050 -12.676 623 HA LEU 74 HA LEU 74 7.807 -14.960 -14.559 624 HB2 LEU 74 2HB LEU 74 8.370 -15.558 -12.270 625 HB3 LEU 74 3HB LEU 74 6.935 -14.753 -11.659 626 HG LEU 74 HG LEU 74 5.491 -16.495 -12.689 627 HD11 LEU 74 1HD1 LEU 74 6.449 -18.535 -13.687 628 HD12 LEU 74 2HD1 LEU 74 8.060 -17.814 -13.612 629 HD13 LEU 74 3HD1 LEU 74 6.817 -17.097 -14.639 630 HD21 LEU 74 1HD2 LEU 74 6.279 -16.827 -10.391 631 HD22 LEU 74 2HD2 LEU 74 7.703 -17.689 -10.985 632 HD23 LEU 74 3HD2 LEU 74 6.089 -18.365 -11.229 633 H SER 75 H SER 75 6.357 -14.592 -16.096 634 HA SER 75 HA SER 75 3.492 -14.390 -15.446 635 HB2 SER 75 2HB SER 75 4.872 -12.715 -17.616 636 HB3 SER 75 3HB SER 75 3.151 -12.691 -17.219 637 HG SER 75 HG SER 75 5.341 -11.764 -15.675 638 H SER 76 H SER 76 5.659 -16.371 -16.570 639 HA SER 76 HA SER 76 4.702 -16.857 -19.315 640 HB2 SER 76 2HB SER 76 7.119 -16.547 -19.065 641 HB3 SER 76 3HB SER 76 7.193 -17.802 -17.833 642 HG SER 76 HG SER 76 6.283 -18.299 -20.472 643 H THR 77 H THR 77 3.040 -18.280 -19.380 644 HA THR 77 HA THR 77 2.940 -20.646 -17.638 645 HB THR 77 HB THR 77 0.648 -20.950 -18.621 646 HG1 THR 77 HG1 THR 77 0.857 -19.930 -20.625 647 HG21 THR 77 1HG2 THR 77 1.131 -18.171 -17.480 648 HG22 THR 77 2HG2 THR 77 0.895 -19.645 -16.533 649 HG23 THR 77 3HG2 THR 77 -0.420 -19.003 -17.525 650 HA PRO 78 HA PRO 78 5.161 -22.707 -21.159 651 HB2 PRO 78 2HB PRO 78 4.773 -25.039 -19.267 652 HB3 PRO 78 3HB PRO 78 6.235 -24.521 -20.140 653 HG2 PRO 78 2HG PRO 78 6.039 -24.023 -17.559 654 HG3 PRO 78 3HG PRO 78 6.675 -22.765 -18.648 655 HD2 PRO 78 2HD PRO 78 3.917 -22.979 -17.431 656 HD3 PRO 78 3HD PRO 78 4.962 -21.550 -17.622 657 H GLN 79 H GLN 79 3.414 -22.543 -22.619 658 HA GLN 79 HA GLN 79 1.426 -24.669 -22.784 659 HB2 GLN 79 2HB GLN 79 0.844 -22.405 -23.547 660 HB3 GLN 79 3HB GLN 79 2.169 -22.411 -24.707 661 HG2 GLN 79 2HG GLN 79 1.069 -24.179 -26.004 662 HG3 GLN 79 3HG GLN 79 -0.208 -24.308 -24.794 663 HE21 GLN 79 1HE2 GLN 79 -1.826 -23.863 -26.337 664 HE22 GLN 79 2HE2 GLN 79 -2.061 -22.280 -26.994 665 H ALA 80 H ALA 80 2.531 -26.566 -22.977 666 HA ALA 80 HA ALA 80 4.686 -26.914 -24.945 667 HB1 ALA 80 1HB ALA 80 3.657 -28.790 -22.781 668 HB2 ALA 80 2HB ALA 80 5.062 -27.734 -22.650 669 HB3 ALA 80 3HB ALA 80 5.077 -29.069 -23.800 670 HA PRO 81 HA PRO 81 1.382 -28.522 -27.806 671 HB2 PRO 81 2HB PRO 81 3.915 -28.986 -29.403 672 HB3 PRO 81 3HB PRO 81 2.366 -28.283 -29.927 673 HG2 PRO 81 2HG PRO 81 4.416 -26.679 -29.513 674 HG3 PRO 81 3HG PRO 81 2.809 -26.207 -28.912 675 HD2 PRO 81 2HD PRO 81 5.126 -27.369 -27.367 676 HD3 PRO 81 3HD PRO 81 4.030 -26.041 -26.920 677 H VAL 82 H VAL 82 0.635 -30.500 -27.254 678 HA VAL 82 HA VAL 82 2.259 -32.492 -26.010 679 HB VAL 82 HB VAL 82 -0.662 -32.631 -26.925 680 HG11 VAL 82 1HG1 VAL 82 0.277 -34.920 -26.785 681 HG12 VAL 82 2HG1 VAL 82 -0.907 -34.635 -25.507 682 HG13 VAL 82 3HG1 VAL 82 0.819 -34.597 -25.135 683 HG21 VAL 82 1HG2 VAL 82 -0.346 -30.986 -25.125 684 HG22 VAL 82 2HG2 VAL 82 0.542 -32.168 -24.168 685 HG23 VAL 82 3HG2 VAL 82 -1.175 -32.406 -24.484 686 H SER 83 H SER 83 3.411 -34.068 -26.931 687 HA SER 83 HA SER 83 3.291 -34.461 -29.854 688 HB2 SER 83 2HB SER 83 5.645 -35.296 -29.539 689 HB3 SER 83 3HB SER 83 5.429 -33.650 -28.956 690 HG SER 83 HG SER 83 6.431 -35.622 -27.611 691 H LYS 84 H LYS 84 1.407 -35.828 -28.028 692 HA LYS 84 HA LYS 84 2.253 -38.616 -27.964 693 HB2 LYS 84 2HB LYS 84 -0.328 -37.259 -27.104 694 HB3 LYS 84 3HB LYS 84 -0.074 -39.000 -27.005 695 HG2 LYS 84 2HG LYS 84 1.566 -36.887 -25.567 696 HG3 LYS 84 3HG LYS 84 0.293 -37.878 -24.843 697 HD2 LYS 84 2HD LYS 84 1.603 -39.917 -25.261 698 HD3 LYS 84 3HD LYS 84 2.863 -38.974 -26.069 699 HE2 LYS 84 2HE LYS 84 3.482 -39.556 -23.743 700 HE3 LYS 84 3HE LYS 84 3.368 -37.812 -23.976 701 HZ1 LYS 84 1HZ LYS 84 2.340 -38.582 -21.907 702 HZ2 LYS 84 2HZ LYS 84 1.228 -39.490 -22.794 703 HZ3 LYS 84 3HZ LYS 84 1.238 -37.807 -22.923 704 H ARG 85 H ARG 85 2.603 -38.788 -30.194 705 HA ARG 85 HA ARG 85 0.609 -40.257 -31.520 706 HB2 ARG 85 2HB ARG 85 0.204 -38.964 -33.546 707 HB3 ARG 85 3HB ARG 85 -0.285 -37.989 -32.168 708 HG2 ARG 85 2HG ARG 85 2.345 -37.643 -33.638 709 HG3 ARG 85 3HG ARG 85 0.883 -36.742 -34.024 710 HD2 ARG 85 2HD ARG 85 0.905 -35.698 -31.812 711 HD3 ARG 85 3HD ARG 85 2.302 -36.671 -31.337 712 HE ARG 85 HE ARG 85 3.490 -35.504 -33.221 713 HH11 ARG 85 1HH1 ARG 85 0.860 -33.889 -31.527 714 HH12 ARG 85 2HH1 ARG 85 1.465 -32.312 -31.883 715 HH21 ARG 85 1HH2 ARG 85 4.248 -33.422 -33.658 716 HH22 ARG 85 2HH2 ARG 85 3.370 -32.043 -33.081 717 H ARG 86 H ARG 86 1.615 -41.583 -33.071 718 HA ARG 86 HA ARG 86 4.539 -41.214 -33.496 719 HB2 ARG 86 2HB ARG 86 3.542 -43.206 -32.053 720 HB3 ARG 86 3HB ARG 86 3.112 -43.901 -33.600 721 HG2 ARG 86 2HG ARG 86 5.939 -43.207 -32.731 722 HG3 ARG 86 3HG ARG 86 5.209 -44.800 -32.593 723 HD2 ARG 86 2HD ARG 86 6.516 -44.976 -34.516 724 HD3 ARG 86 3HD ARG 86 4.908 -44.649 -35.171 725 HE ARG 86 HE ARG 86 6.399 -42.247 -34.797 726 HH11 ARG 86 1HH1 ARG 86 6.097 -44.974 -37.012 727 HH12 ARG 86 2HH1 ARG 86 6.700 -44.073 -38.363 728 HH21 ARG 86 1HH2 ARG 86 7.162 -41.099 -36.598 729 HH22 ARG 86 2HH2 ARG 86 7.302 -41.895 -38.137 730 H ALA 87 H ALA 87 1.764 -42.983 -34.923 731 HA ALA 87 HA ALA 87 2.726 -42.657 -37.631 732 HB1 ALA 87 1HB ALA 87 0.123 -43.822 -36.581 733 HB2 ALA 87 2HB ALA 87 1.593 -44.728 -36.945 734 HB3 ALA 87 3HB ALA 87 0.705 -43.934 -38.247 735 H ALA 88 H ALA 88 2.769 -40.265 -37.464 736 HA ALA 88 HA ALA 88 0.460 -39.038 -38.679 737 HB1 ALA 88 1HB ALA 88 0.146 -37.274 -36.960 738 HB2 ALA 88 2HB ALA 88 1.314 -38.082 -35.913 739 HB3 ALA 88 3HB ALA 88 -0.212 -38.875 -36.306 Start of MODEL 12 1 H1 ILE 1 1H ILE 1 -23.590 14.430 0.121 2 H2 ILE 1 2H ILE 1 -23.199 12.794 0.321 3 H3 ILE 1 3H ILE 1 -22.534 13.669 -0.954 4 HA ILE 1 HA ILE 1 -22.050 14.206 1.898 5 HB ILE 1 HB ILE 1 -21.048 12.048 1.221 6 HG12 ILE 1 2HG1 ILE 1 -18.962 14.247 1.593 7 HG13 ILE 1 3HG1 ILE 1 -19.800 13.384 2.872 8 HG21 ILE 1 1HG2 ILE 1 -20.841 12.383 -1.214 9 HG22 ILE 1 2HG2 ILE 1 -19.307 11.856 -0.522 10 HG23 ILE 1 3HG2 ILE 1 -19.538 13.550 -0.956 11 HD11 ILE 1 1HD1 ILE 1 -17.774 12.237 0.960 12 HD12 ILE 1 2HD1 ILE 1 -18.653 11.318 2.183 13 HD13 ILE 1 3HD1 ILE 1 -17.546 12.600 2.670 14 H LEU 2 H LEU 2 -20.920 16.112 2.305 15 HA LEU 2 HA LEU 2 -19.871 17.700 0.030 16 HB2 LEU 2 2HB LEU 2 -19.847 19.614 1.629 17 HB3 LEU 2 3HB LEU 2 -21.446 18.955 1.367 18 HG LEU 2 HG LEU 2 -21.022 17.661 3.647 19 HD11 LEU 2 1HD1 LEU 2 -19.621 18.848 5.272 20 HD12 LEU 2 2HD1 LEU 2 -19.048 19.937 4.005 21 HD13 LEU 2 3HD1 LEU 2 -18.654 18.218 3.938 22 HD21 LEU 2 1HD2 LEU 2 -22.003 19.494 4.931 23 HD22 LEU 2 2HD2 LEU 2 -22.751 19.379 3.338 24 HD23 LEU 2 3HD2 LEU 2 -21.563 20.645 3.664 25 H GLU 3 H GLU 3 -17.758 18.953 0.698 26 HA GLU 3 HA GLU 3 -15.972 17.266 2.357 27 HB2 GLU 3 2HB GLU 3 -14.206 17.393 0.639 28 HB3 GLU 3 3HB GLU 3 -15.638 16.574 0.019 29 HG2 GLU 3 2HG GLU 3 -16.301 18.567 -1.228 30 HG3 GLU 3 3HG GLU 3 -14.969 19.484 -0.530 31 H ALA 4 H ALA 4 -13.921 18.330 2.817 32 HA ALA 4 HA ALA 4 -13.782 21.239 2.429 33 HB1 ALA 4 1HB ALA 4 -13.256 19.843 5.087 34 HB2 ALA 4 2HB ALA 4 -14.606 20.922 4.741 35 HB3 ALA 4 3HB ALA 4 -12.959 21.552 4.748 36 H HIS 5 H HIS 5 -11.731 21.878 1.899 37 HA HIS 5 HA HIS 5 -9.775 19.882 1.223 38 HB2 HIS 5 2HB HIS 5 -9.661 22.933 1.105 39 HB3 HIS 5 3HB HIS 5 -8.386 21.874 0.499 40 HD1 HIS 5 HD1 HIS 5 -11.409 23.551 -0.566 41 HD2 HIS 5 HD2 HIS 5 -9.434 20.050 -1.631 42 HE1 HIS 5 HE1 HIS 5 -12.304 22.925 -2.824 43 HE2 HIS 5 HE2 HIS 5 -10.985 20.903 -3.504 44 H TYR 6 H TYR 6 -9.130 18.881 3.087 45 HA TYR 6 HA TYR 6 -8.351 20.281 5.473 46 HB2 TYR 6 2HB TYR 6 -7.925 17.371 4.694 47 HB3 TYR 6 3HB TYR 6 -7.710 18.043 6.310 48 HD1 TYR 6 HD1 TYR 6 -9.919 19.525 7.073 49 HD2 TYR 6 HD2 TYR 6 -9.963 16.164 4.416 50 HE1 TYR 6 HE1 TYR 6 -12.300 19.150 7.572 51 HE2 TYR 6 HE2 TYR 6 -12.341 15.802 4.928 52 HH TYR 6 HH TYR 6 -13.963 16.318 6.662 53 H THR 7 H THR 7 -6.806 21.710 4.804 54 HA THR 7 HA THR 7 -4.413 21.154 3.430 55 HB THR 7 HB THR 7 -5.401 23.444 3.660 56 HG1 THR 7 HG1 THR 7 -2.786 23.557 4.736 57 HG21 THR 7 1HG2 THR 7 -6.029 23.450 6.048 58 HG22 THR 7 2HG2 THR 7 -4.942 24.790 5.701 59 HG23 THR 7 3HG2 THR 7 -4.326 23.350 6.509 60 H ASN 8 H ASN 8 -5.248 20.007 6.405 61 HA ASN 8 HA ASN 8 -3.158 20.015 8.140 62 HB2 ASN 8 2HB ASN 8 -4.638 17.497 7.246 63 HB3 ASN 8 3HB ASN 8 -3.849 17.741 8.802 64 HD21 ASN 8 1HD2 ASN 8 -4.869 20.453 9.222 65 HD22 ASN 8 2HD2 ASN 8 -6.555 20.282 9.549 66 H LEU 9 H LEU 9 -1.087 20.089 7.491 67 HA LEU 9 HA LEU 9 -0.099 18.659 5.176 68 HB2 LEU 9 2HB LEU 9 0.485 21.061 5.782 69 HB3 LEU 9 3HB LEU 9 1.444 20.428 7.107 70 HG LEU 9 HG LEU 9 2.887 19.220 5.426 71 HD11 LEU 9 1HD1 LEU 9 1.289 19.015 3.586 72 HD12 LEU 9 2HD1 LEU 9 2.748 19.840 3.045 73 HD13 LEU 9 3HD1 LEU 9 1.280 20.767 3.365 74 HD21 LEU 9 1HD2 LEU 9 3.588 21.383 6.348 75 HD22 LEU 9 2HD2 LEU 9 2.722 22.230 5.062 76 HD23 LEU 9 3HD2 LEU 9 4.110 21.212 4.672 77 H LYS 10 H LYS 10 -0.520 16.577 6.072 78 HA LYS 10 HA LYS 10 1.776 15.459 7.514 79 HB2 LYS 10 2HB LYS 10 0.337 14.056 8.942 80 HB3 LYS 10 3HB LYS 10 0.013 15.758 9.242 81 HG2 LYS 10 2HG LYS 10 -2.071 15.657 8.000 82 HG3 LYS 10 3HG LYS 10 -1.719 14.021 7.448 83 HD2 LYS 10 2HD LYS 10 -3.359 13.844 9.189 84 HD3 LYS 10 3HD LYS 10 -1.839 13.259 9.861 85 HE2 LYS 10 2HE LYS 10 -2.864 16.086 10.307 86 HE3 LYS 10 3HE LYS 10 -3.263 14.746 11.376 87 HZ1 LYS 10 1HZ LYS 10 -0.534 15.801 10.842 88 HZ2 LYS 10 2HZ LYS 10 -0.880 14.468 11.814 89 HZ3 LYS 10 3HZ LYS 10 -1.432 15.996 12.259 90 H CYS 11 H CYS 11 2.123 13.267 7.062 91 HA CYS 11 HA CYS 11 1.359 12.245 4.536 92 HB2 CYS 11 2HB CYS 11 2.579 10.834 6.956 93 HB3 CYS 11 3HB CYS 11 2.532 10.184 5.322 94 H ARG 12 H ARG 12 -0.390 10.962 3.993 95 HA ARG 12 HA ARG 12 -2.472 10.457 5.982 96 HB2 ARG 12 2HB ARG 12 -2.326 10.287 2.963 97 HB3 ARG 12 3HB ARG 12 -3.570 9.358 3.788 98 HG2 ARG 12 2HG ARG 12 -4.516 11.457 3.055 99 HG3 ARG 12 3HG ARG 12 -4.437 11.444 4.813 100 HD2 ARG 12 2HD ARG 12 -2.397 12.884 4.708 101 HD3 ARG 12 3HD ARG 12 -2.545 12.925 2.943 102 HE ARG 12 HE ARG 12 -4.989 13.739 4.048 103 HH11 ARG 12 1HH1 ARG 12 -1.705 14.997 3.843 104 HH12 ARG 12 2HH1 ARG 12 -2.217 16.652 3.943 105 HH21 ARG 12 1HH2 ARG 12 -5.628 15.907 4.201 106 HH22 ARG 12 2HH2 ARG 12 -4.441 17.170 4.144 107 H CYS 13 H CYS 13 -2.675 8.568 7.070 108 HA CYS 13 HA CYS 13 -2.013 6.032 5.762 109 HB2 CYS 13 2HB CYS 13 -0.013 6.528 7.122 110 HB3 CYS 13 3HB CYS 13 -1.020 6.714 8.554 111 H SER 14 H SER 14 -3.500 4.572 6.082 112 HA SER 14 HA SER 14 -5.802 4.977 7.809 113 HB2 SER 14 2HB SER 14 -5.982 4.244 5.400 114 HB3 SER 14 3HB SER 14 -5.156 2.744 5.818 115 HG SER 14 HG SER 14 -7.034 2.697 7.474 116 H GLY 15 H GLY 15 -3.178 4.396 9.098 117 HA2 GLY 15 2HA GLY 15 -2.648 3.365 11.102 118 HA3 GLY 15 3HA GLY 15 -4.044 2.310 10.928 119 H VAL 16 H VAL 16 -2.996 0.383 11.347 120 HA VAL 16 HA VAL 16 -1.257 -0.652 9.174 121 HB VAL 16 HB VAL 16 -0.975 -1.403 12.138 122 HG11 VAL 16 1HG1 VAL 16 -0.512 -3.302 10.631 123 HG12 VAL 16 2HG1 VAL 16 0.963 -2.758 11.432 124 HG13 VAL 16 3HG1 VAL 16 0.665 -2.326 9.746 125 HG21 VAL 16 1HG2 VAL 16 0.972 0.188 10.416 126 HG22 VAL 16 2HG2 VAL 16 1.244 -0.321 12.085 127 HG23 VAL 16 3HG2 VAL 16 -0.028 0.845 11.716 128 H ILE 17 H ILE 17 -1.975 -2.603 8.351 129 HA ILE 17 HA ILE 17 -4.283 -3.895 9.686 130 HB ILE 17 HB ILE 17 -5.296 -4.291 7.364 131 HG12 ILE 17 2HG1 ILE 17 -4.750 -2.405 5.659 132 HG13 ILE 17 3HG1 ILE 17 -3.262 -2.157 6.547 133 HG21 ILE 17 1HG2 ILE 17 -5.217 -1.436 8.389 134 HG22 ILE 17 2HG2 ILE 17 -6.261 -2.729 8.986 135 HG23 ILE 17 3HG2 ILE 17 -6.460 -2.125 7.340 136 HD11 ILE 17 1HD1 ILE 17 -4.061 -4.709 5.159 137 HD12 ILE 17 2HD1 ILE 17 -2.521 -4.394 5.956 138 HD13 ILE 17 3HD1 ILE 17 -2.972 -3.486 4.513 139 H SER 18 H SER 18 -4.570 -6.074 9.388 140 HA SER 18 HA SER 18 -2.230 -7.639 8.522 141 HB2 SER 18 2HB SER 18 -4.717 -8.451 10.094 142 HB3 SER 18 3HB SER 18 -3.362 -9.515 9.733 143 HG SER 18 HG SER 18 -2.037 -7.958 10.899 144 H THR 19 H THR 19 -4.833 -6.430 7.014 145 HA THR 19 HA THR 19 -6.003 -8.726 5.761 146 HB THR 19 HB THR 19 -6.232 -5.810 4.889 147 HG1 THR 19 HG1 THR 19 -7.076 -6.991 7.187 148 HG21 THR 19 1HG2 THR 19 -7.157 -7.433 3.268 149 HG22 THR 19 2HG2 THR 19 -8.443 -6.498 4.035 150 HG23 THR 19 3HG2 THR 19 -8.138 -8.158 4.547 151 H VAL 20 H VAL 20 -4.438 -9.870 4.678 152 HA VAL 20 HA VAL 20 -2.609 -8.726 2.756 153 HB VAL 20 HB VAL 20 -3.498 -11.635 3.181 154 HG11 VAL 20 1HG1 VAL 20 -1.609 -12.304 1.729 155 HG12 VAL 20 2HG1 VAL 20 -1.236 -10.609 1.409 156 HG13 VAL 20 3HG1 VAL 20 -2.755 -11.299 0.836 157 HG21 VAL 20 1HG2 VAL 20 -0.905 -10.240 3.980 158 HG22 VAL 20 2HG2 VAL 20 -1.273 -11.948 4.225 159 HG23 VAL 20 3HG2 VAL 20 -2.195 -10.719 5.085 160 H VAL 21 H VAL 21 -3.379 -7.818 0.975 161 HA VAL 21 HA VAL 21 -6.009 -8.598 -0.111 162 HB VAL 21 HB VAL 21 -4.376 -6.042 -0.445 163 HG11 VAL 21 1HG1 VAL 21 -6.311 -5.090 -1.624 164 HG12 VAL 21 2HG1 VAL 21 -7.140 -6.645 -1.546 165 HG13 VAL 21 3HG1 VAL 21 -5.665 -6.479 -2.502 166 HG21 VAL 21 1HG2 VAL 21 -6.928 -6.616 1.104 167 HG22 VAL 21 2HG2 VAL 21 -6.256 -5.007 0.858 168 HG23 VAL 21 3HG2 VAL 21 -5.350 -6.206 1.784 169 H GLY 22 H GLY 22 -6.265 -9.253 -2.183 170 HA2 GLY 22 2HA GLY 22 -4.161 -10.490 -3.590 171 HA3 GLY 22 3HA GLY 22 -5.791 -10.223 -4.187 172 H LEU 23 H LEU 23 -2.966 -9.888 -5.295 173 HA LEU 23 HA LEU 23 -2.388 -7.169 -5.774 174 HB2 LEU 23 2HB LEU 23 -1.502 -9.736 -7.109 175 HB3 LEU 23 3HB LEU 23 -1.089 -8.198 -7.844 176 HG LEU 23 HG LEU 23 0.160 -7.534 -5.794 177 HD11 LEU 23 1HD1 LEU 23 0.719 -9.172 -4.043 178 HD12 LEU 23 2HD1 LEU 23 -0.430 -10.313 -4.738 179 HD13 LEU 23 3HD1 LEU 23 -1.002 -8.787 -4.059 180 HD21 LEU 23 1HD2 LEU 23 1.321 -8.630 -7.667 181 HD22 LEU 23 2HD2 LEU 23 1.072 -10.201 -6.906 182 HD23 LEU 23 3HD2 LEU 23 2.085 -8.988 -6.119 183 H ASN 24 H ASN 24 -4.504 -9.420 -7.303 184 HA ASN 24 HA ASN 24 -5.064 -8.289 -9.783 185 HB2 ASN 24 2HB ASN 24 -5.764 -10.545 -9.212 186 HB3 ASN 24 3HB ASN 24 -6.770 -9.965 -7.889 187 HD21 ASN 24 1HD2 ASN 24 -6.489 -10.209 -11.384 188 HD22 ASN 24 2HD2 ASN 24 -8.165 -9.945 -11.716 189 H ILE 25 H ILE 25 -6.239 -7.317 -6.576 190 HA ILE 25 HA ILE 25 -8.157 -5.418 -7.840 191 HB ILE 25 HB ILE 25 -9.476 -5.420 -5.755 192 HG12 ILE 25 2HG1 ILE 25 -7.609 -7.624 -4.748 193 HG13 ILE 25 3HG1 ILE 25 -7.619 -5.969 -4.151 194 HG21 ILE 25 1HG2 ILE 25 -10.080 -7.000 -7.547 195 HG22 ILE 25 2HG2 ILE 25 -10.460 -7.677 -5.963 196 HG23 ILE 25 3HG2 ILE 25 -9.029 -8.228 -6.836 197 HD11 ILE 25 1HD1 ILE 25 -9.861 -7.972 -3.914 198 HD12 ILE 25 2HD1 ILE 25 -9.922 -6.300 -3.352 199 HD13 ILE 25 3HD1 ILE 25 -8.778 -7.430 -2.629 200 H ILE 26 H ILE 26 -5.140 -5.376 -6.656 201 HA ILE 26 HA ILE 26 -5.149 -2.892 -5.194 202 HB ILE 26 HB ILE 26 -2.919 -4.291 -6.749 203 HG12 ILE 26 2HG1 ILE 26 -3.727 -5.621 -4.799 204 HG13 ILE 26 3HG1 ILE 26 -2.066 -5.094 -4.591 205 HG21 ILE 26 1HG2 ILE 26 -2.658 -1.941 -4.834 206 HG22 ILE 26 2HG2 ILE 26 -2.375 -1.914 -6.574 207 HG23 ILE 26 3HG2 ILE 26 -1.310 -2.847 -5.523 208 HD11 ILE 26 1HD1 ILE 26 -3.179 -4.916 -2.511 209 HD12 ILE 26 2HD1 ILE 26 -4.515 -4.016 -3.213 210 HD13 ILE 26 3HD1 ILE 26 -2.917 -3.275 -3.098 211 H ASP 27 H ASP 27 -5.798 -1.017 -6.124 212 HA ASP 27 HA ASP 27 -5.979 -0.735 -9.032 213 HB2 ASP 27 2HB ASP 27 -7.913 -0.102 -7.661 214 HB3 ASP 27 3HB ASP 27 -6.954 1.044 -6.746 215 H ARG 28 H ARG 28 -4.653 1.179 -6.288 216 HA ARG 28 HA ARG 28 -2.448 2.140 -7.938 217 HB2 ARG 28 2HB ARG 28 -4.549 3.613 -8.392 218 HB3 ARG 28 3HB ARG 28 -4.335 4.228 -6.760 219 HG2 ARG 28 2HG ARG 28 -2.140 5.138 -7.346 220 HG3 ARG 28 3HG ARG 28 -2.241 4.411 -8.954 221 HD2 ARG 28 2HD ARG 28 -3.974 6.648 -7.844 222 HD3 ARG 28 3HD ARG 28 -2.790 6.757 -9.150 223 HE ARG 28 HE ARG 28 -5.321 5.207 -9.332 224 HH11 ARG 28 1HH1 ARG 28 -2.935 7.277 -10.892 225 HH12 ARG 28 2HH1 ARG 28 -3.776 7.286 -12.409 226 HH21 ARG 28 1HH2 ARG 28 -6.396 5.228 -11.335 227 HH22 ARG 28 2HH2 ARG 28 -5.729 6.132 -12.661 228 H ILE 29 H ILE 29 -0.723 2.749 -6.718 229 HA ILE 29 HA ILE 29 -0.900 2.418 -3.771 230 HB ILE 29 HB ILE 29 1.534 2.202 -5.621 231 HG12 ILE 29 2HG1 ILE 29 0.044 -0.086 -4.260 232 HG13 ILE 29 3HG1 ILE 29 -0.165 0.354 -5.952 233 HG21 ILE 29 1HG2 ILE 29 2.721 1.248 -3.657 234 HG22 ILE 29 2HG2 ILE 29 1.298 1.538 -2.660 235 HG23 ILE 29 3HG2 ILE 29 2.179 2.901 -3.347 236 HD11 ILE 29 1HD1 ILE 29 2.253 -0.099 -6.305 237 HD12 ILE 29 2HD1 ILE 29 1.301 -1.499 -5.830 238 HD13 ILE 29 3HD1 ILE 29 2.336 -0.694 -4.643 239 H GLN 30 H GLN 30 -0.540 4.215 -2.590 240 HA GLN 30 HA GLN 30 0.934 6.513 -3.751 241 HB2 GLN 30 2HB GLN 30 -1.169 6.599 -1.539 242 HB3 GLN 30 3HB GLN 30 -0.336 7.979 -2.246 243 HG2 GLN 30 2HG GLN 30 -1.434 7.383 -4.441 244 HG3 GLN 30 3HG GLN 30 -2.393 6.195 -3.566 245 HE21 GLN 30 1HE2 GLN 30 -2.636 7.971 -1.169 246 HE22 GLN 30 2HE2 GLN 30 -3.789 9.172 -1.626 247 H VAL 31 H VAL 31 2.566 7.331 -2.564 248 HA VAL 31 HA VAL 31 3.239 6.111 0.035 249 HB VAL 31 HB VAL 31 4.654 4.973 -1.633 250 HG11 VAL 31 1HG1 VAL 31 6.454 6.197 -2.876 251 HG12 VAL 31 2HG1 VAL 31 5.688 7.719 -2.431 252 HG13 VAL 31 3HG1 VAL 31 4.834 6.565 -3.455 253 HG21 VAL 31 1HG2 VAL 31 5.549 5.343 0.616 254 HG22 VAL 31 2HG2 VAL 31 6.234 6.892 0.115 255 HG23 VAL 31 3HG2 VAL 31 6.853 5.389 -0.576 256 H THR 32 H THR 32 3.263 7.686 1.469 257 HA THR 32 HA THR 32 4.161 10.395 0.754 258 HB THR 32 HB THR 32 3.247 10.952 3.092 259 HG1 THR 32 HG1 THR 32 3.166 8.486 3.524 260 HG21 THR 32 1HG2 THR 32 1.958 11.512 1.066 261 HG22 THR 32 2HG2 THR 32 0.879 10.998 2.363 262 HG23 THR 32 3HG2 THR 32 1.263 9.891 1.041 263 HA PRO 33 HA PRO 33 8.116 8.887 2.404 264 HB2 PRO 33 2HB PRO 33 9.613 11.120 1.840 265 HB3 PRO 33 3HB PRO 33 9.046 10.018 0.570 266 HG2 PRO 33 2HG PRO 33 7.839 12.627 1.462 267 HG3 PRO 33 3HG PRO 33 8.179 12.059 -0.190 268 HD2 PRO 33 2HD PRO 33 5.700 11.887 0.877 269 HD3 PRO 33 3HD PRO 33 6.322 10.644 -0.235 270 HA PRO 34 HA PRO 34 8.267 10.359 6.579 271 HB2 PRO 34 2HB PRO 34 10.863 9.939 7.351 272 HB3 PRO 34 3HB PRO 34 9.764 8.598 6.970 273 HG2 PRO 34 2HG PRO 34 11.920 9.800 5.268 274 HG3 PRO 34 3HG PRO 34 11.475 8.092 5.481 275 HD2 PRO 34 2HD PRO 34 10.677 9.614 3.324 276 HD3 PRO 34 3HD PRO 34 9.778 8.201 3.916 277 H GLY 35 H GLY 35 8.014 12.434 7.149 278 HA2 GLY 35 2HA GLY 35 9.652 14.299 7.978 279 HA3 GLY 35 3HA GLY 35 9.870 14.539 6.246 280 H ASN 36 H ASN 36 7.181 13.954 5.481 281 HA ASN 36 HA ASN 36 6.060 16.585 5.860 282 HB2 ASN 36 2HB ASN 36 6.001 15.439 3.640 283 HB3 ASN 36 3HB ASN 36 4.963 14.185 4.313 284 HD21 ASN 36 1HD2 ASN 36 3.301 14.639 2.847 285 HD22 ASN 36 2HD2 ASN 36 2.339 16.070 2.946 286 H GLY 37 H GLY 37 5.717 16.438 8.174 287 HA2 GLY 37 2HA GLY 37 4.404 16.249 10.041 288 HA3 GLY 37 3HA GLY 37 3.064 15.875 8.973 289 H CYS 38 H CYS 38 5.793 13.754 8.763 290 HA CYS 38 HA CYS 38 4.584 11.737 10.526 291 HB2 CYS 38 2HB CYS 38 4.596 10.045 8.753 292 HB3 CYS 38 3HB CYS 38 3.597 11.406 8.278 293 HA PRO 39 HA PRO 39 9.019 11.070 11.349 294 HB2 PRO 39 2HB PRO 39 8.145 8.568 12.741 295 HB3 PRO 39 3HB PRO 39 8.976 9.992 13.401 296 HG2 PRO 39 2HG PRO 39 6.413 9.492 14.005 297 HG3 PRO 39 3HG PRO 39 7.002 11.158 13.780 298 HD2 PRO 39 2HD PRO 39 5.484 9.419 11.824 299 HD3 PRO 39 3HD PRO 39 5.221 11.128 12.250 300 H LYS 40 H LYS 40 6.921 8.456 10.164 301 HA LYS 40 HA LYS 40 9.227 7.108 8.844 302 HB2 LYS 40 2HB LYS 40 8.169 5.848 10.771 303 HB3 LYS 40 3HB LYS 40 6.660 5.809 9.873 304 HG2 LYS 40 2HG LYS 40 7.773 4.478 8.097 305 HG3 LYS 40 3HG LYS 40 9.271 4.499 9.022 306 HD2 LYS 40 2HD LYS 40 6.665 3.265 10.003 307 HD3 LYS 40 3HD LYS 40 7.950 2.359 9.210 308 HE2 LYS 40 2HE LYS 40 8.185 2.001 11.571 309 HE3 LYS 40 3HE LYS 40 9.497 3.073 11.088 310 HZ1 LYS 40 1HZ LYS 40 8.341 3.681 13.189 311 HZ2 LYS 40 2HZ LYS 40 6.955 4.031 12.295 312 HZ3 LYS 40 3HZ LYS 40 8.375 4.917 12.047 313 H THR 41 H THR 41 8.765 6.048 6.832 314 HA THR 41 HA THR 41 7.133 7.348 4.937 315 HB THR 41 HB THR 41 8.215 4.501 4.793 316 HG1 THR 41 HG1 THR 41 9.676 6.510 5.226 317 HG21 THR 41 1HG2 THR 41 7.562 6.476 2.578 318 HG22 THR 41 2HG2 THR 41 6.629 5.031 2.977 319 HG23 THR 41 3HG2 THR 41 8.272 4.877 2.348 320 H GLU 42 H GLU 42 4.948 7.211 4.726 321 HA GLU 42 HA GLU 42 3.465 4.880 5.819 322 HB2 GLU 42 2HB GLU 42 2.538 7.741 5.314 323 HB3 GLU 42 3HB GLU 42 1.513 6.446 5.935 324 HG2 GLU 42 2HG GLU 42 2.940 6.267 7.944 325 HG3 GLU 42 3HG GLU 42 3.995 7.534 7.319 326 H VAL 43 H VAL 43 2.711 3.503 4.343 327 HA VAL 43 HA VAL 43 2.444 4.330 1.505 328 HB VAL 43 HB VAL 43 2.825 1.511 2.647 329 HG11 VAL 43 1HG1 VAL 43 2.947 2.490 -0.236 330 HG12 VAL 43 2HG1 VAL 43 1.668 1.498 0.473 331 HG13 VAL 43 3HG1 VAL 43 3.299 0.846 0.305 332 HG21 VAL 43 1HG2 VAL 43 4.843 2.871 3.056 333 HG22 VAL 43 2HG2 VAL 43 4.905 3.322 1.351 334 HG23 VAL 43 3HG2 VAL 43 5.161 1.641 1.827 335 H VAL 44 H VAL 44 0.333 4.847 1.130 336 HA VAL 44 HA VAL 44 -1.820 3.121 2.235 337 HB VAL 44 HB VAL 44 -3.446 4.971 1.526 338 HG11 VAL 44 1HG1 VAL 44 -1.441 5.633 3.700 339 HG12 VAL 44 2HG1 VAL 44 -2.874 4.617 3.857 340 HG13 VAL 44 3HG1 VAL 44 -3.053 6.338 3.540 341 HG21 VAL 44 1HG2 VAL 44 -2.634 7.259 1.227 342 HG22 VAL 44 2HG2 VAL 44 -1.933 6.223 -0.016 343 HG23 VAL 44 3HG2 VAL 44 -0.961 6.726 1.368 344 H ILE 45 H ILE 45 -2.904 1.845 0.924 345 HA ILE 45 HA ILE 45 -2.448 2.021 -1.992 346 HB ILE 45 HB ILE 45 -2.988 -0.481 -0.329 347 HG12 ILE 45 2HG1 ILE 45 -0.309 0.378 -1.517 348 HG13 ILE 45 3HG1 ILE 45 -0.738 0.629 0.169 349 HG21 ILE 45 1HG2 ILE 45 -2.318 -1.697 -2.384 350 HG22 ILE 45 2HG2 ILE 45 -2.149 -0.162 -3.234 351 HG23 ILE 45 3HG2 ILE 45 -3.735 -0.682 -2.659 352 HD11 ILE 45 1HD1 ILE 45 -0.501 -2.050 -1.194 353 HD12 ILE 45 2HD1 ILE 45 -0.877 -1.770 0.508 354 HD13 ILE 45 3HD1 ILE 45 0.696 -1.304 -0.136 355 H TRP 46 H TRP 46 -4.243 2.576 -3.040 356 HA TRP 46 HA TRP 46 -6.948 2.229 -2.004 357 HB2 TRP 46 2HB TRP 46 -5.865 3.414 -4.610 358 HB3 TRP 46 3HB TRP 46 -7.567 3.386 -4.170 359 HD1 TRP 46 HD1 TRP 46 -4.236 4.949 -2.887 360 HE1 TRP 46 HE1 TRP 46 -4.808 7.162 -1.710 361 HE3 TRP 46 HE3 TRP 46 -9.345 4.758 -3.171 362 HZ2 TRP 46 HZ2 TRP 46 -7.089 8.654 -1.027 363 HZ3 TRP 46 HZ3 TRP 46 -10.653 6.627 -2.237 364 HH2 TRP 46 HH2 TRP 46 -9.543 8.537 -1.185 365 H THR 47 H THR 47 -8.128 0.438 -2.471 366 HA THR 47 HA THR 47 -7.347 -1.497 -4.512 367 HB THR 47 HB THR 47 -9.399 -2.736 -3.697 368 HG1 THR 47 HG1 THR 47 -9.686 -1.125 -1.489 369 HG21 THR 47 1HG2 THR 47 -7.548 -1.820 -1.460 370 HG22 THR 47 2HG2 THR 47 -7.180 -3.104 -2.614 371 HG23 THR 47 3HG2 THR 47 -8.516 -3.295 -1.476 372 H LYS 48 H LYS 48 -9.439 -2.364 -5.857 373 HA LYS 48 HA LYS 48 -10.171 -0.306 -7.692 374 HB2 LYS 48 2HB LYS 48 -11.408 -3.072 -7.375 375 HB3 LYS 48 3HB LYS 48 -11.678 -1.988 -8.735 376 HG2 LYS 48 2HG LYS 48 -9.169 -2.127 -9.177 377 HG3 LYS 48 3HG LYS 48 -9.121 -3.446 -8.001 378 HD2 LYS 48 2HD LYS 48 -10.739 -3.366 -10.585 379 HD3 LYS 48 3HD LYS 48 -9.310 -4.356 -10.278 380 HE2 LYS 48 2HE LYS 48 -10.505 -5.726 -8.687 381 HE3 LYS 48 3HE LYS 48 -11.882 -4.625 -8.677 382 HZ1 LYS 48 1HZ LYS 48 -10.999 -6.243 -10.999 383 HZ2 LYS 48 2HZ LYS 48 -12.318 -5.199 -10.973 384 HZ3 LYS 48 3HZ LYS 48 -12.321 -6.584 -10.004 385 H MET 49 H MET 49 -11.750 -1.663 -4.878 386 HA MET 49 HA MET 49 -14.280 -0.313 -5.228 387 HB2 MET 49 2HB MET 49 -13.151 -1.442 -2.624 388 HB3 MET 49 3HB MET 49 -14.840 -1.132 -3.007 389 HG2 MET 49 2HG MET 49 -14.641 -3.463 -3.170 390 HG3 MET 49 3HG MET 49 -14.549 -2.930 -4.849 391 HE1 MET 49 1HE MET 49 -10.974 -4.411 -2.312 392 HE2 MET 49 2HE MET 49 -12.662 -4.553 -1.827 393 HE3 MET 49 3HE MET 49 -11.890 -2.966 -1.882 394 H LYS 50 H LYS 50 -11.224 0.714 -4.506 395 HA LYS 50 HA LYS 50 -10.222 2.569 -3.831 396 HB2 LYS 50 2HB LYS 50 -13.022 3.757 -3.755 397 HB3 LYS 50 3HB LYS 50 -11.551 4.699 -3.526 398 HG2 LYS 50 2HG LYS 50 -12.328 3.175 -6.037 399 HG3 LYS 50 3HG LYS 50 -12.376 4.926 -5.813 400 HD2 LYS 50 2HD LYS 50 -9.916 4.970 -5.553 401 HD3 LYS 50 3HD LYS 50 -9.860 3.215 -5.740 402 HE2 LYS 50 2HE LYS 50 -9.243 4.335 -7.831 403 HE3 LYS 50 3HE LYS 50 -10.744 3.432 -8.035 404 HZ1 LYS 50 1HZ LYS 50 -10.865 5.611 -9.062 405 HZ2 LYS 50 2HZ LYS 50 -10.531 6.365 -7.598 406 HZ3 LYS 50 3HZ LYS 50 -11.972 5.497 -7.792 407 H LYS 51 H LYS 51 -11.247 0.486 -1.997 408 HA LYS 51 HA LYS 51 -11.502 1.734 0.588 409 HB2 LYS 51 2HB LYS 51 -12.339 -0.616 -0.090 410 HB3 LYS 51 3HB LYS 51 -10.670 -1.154 -0.027 411 HG2 LYS 51 2HG LYS 51 -11.933 0.158 2.375 412 HG3 LYS 51 3HG LYS 51 -12.264 -1.537 2.028 413 HD2 LYS 51 2HD LYS 51 -9.936 -2.127 2.296 414 HD3 LYS 51 3HD LYS 51 -9.445 -0.431 2.347 415 HE2 LYS 51 2HE LYS 51 -11.172 -1.819 4.427 416 HE3 LYS 51 3HE LYS 51 -9.454 -1.457 4.597 417 HZ1 LYS 51 1HZ LYS 51 -11.631 0.537 4.274 418 HZ2 LYS 51 2HZ LYS 51 -9.984 0.907 4.382 419 HZ3 LYS 51 3HZ LYS 51 -10.783 0.207 5.695 420 H VAL 52 H VAL 52 -9.857 2.558 1.731 421 HA VAL 52 HA VAL 52 -7.118 2.379 0.728 422 HB VAL 52 HB VAL 52 -8.239 4.145 2.962 423 HG11 VAL 52 1HG1 VAL 52 -5.537 4.258 1.546 424 HG12 VAL 52 2HG1 VAL 52 -5.806 3.755 3.216 425 HG13 VAL 52 3HG1 VAL 52 -6.121 5.425 2.736 426 HG21 VAL 52 1HG2 VAL 52 -7.632 4.816 0.056 427 HG22 VAL 52 2HG2 VAL 52 -8.101 5.983 1.295 428 HG23 VAL 52 3HG2 VAL 52 -9.235 4.729 0.794 429 H ILE 53 H ILE 53 -5.710 1.055 1.607 430 HA ILE 53 HA ILE 53 -5.896 0.232 4.455 431 HB ILE 53 HB ILE 53 -4.552 -1.780 3.874 432 HG12 ILE 53 2HG1 ILE 53 -4.960 -1.069 0.929 433 HG13 ILE 53 3HG1 ILE 53 -3.449 -0.824 1.796 434 HG21 ILE 53 1HG2 ILE 53 -7.126 -1.593 2.278 435 HG22 ILE 53 2HG2 ILE 53 -6.979 -2.026 3.983 436 HG23 ILE 53 3HG2 ILE 53 -6.319 -3.095 2.744 437 HD11 ILE 53 1HD1 ILE 53 -4.796 -3.447 1.226 438 HD12 ILE 53 2HD1 ILE 53 -3.333 -3.251 2.187 439 HD13 ILE 53 3HD1 ILE 53 -3.334 -2.808 0.481 440 H CYS 54 H CYS 54 -3.738 0.124 5.537 441 HA CYS 54 HA CYS 54 -1.594 1.631 4.153 442 HB2 CYS 54 2HB CYS 54 -2.929 3.096 5.756 443 HB3 CYS 54 3HB CYS 54 -2.309 2.102 7.063 444 H VAL 55 H VAL 55 0.366 0.798 4.415 445 HA VAL 55 HA VAL 55 0.938 -1.150 6.544 446 HB VAL 55 HB VAL 55 2.217 -2.573 4.924 447 HG11 VAL 55 1HG1 VAL 55 0.287 -3.689 3.870 448 HG12 VAL 55 2HG1 VAL 55 -0.720 -2.280 4.200 449 HG13 VAL 55 3HG1 VAL 55 -0.072 -3.230 5.536 450 HG21 VAL 55 1HG2 VAL 55 0.961 -0.833 2.754 451 HG22 VAL 55 2HG2 VAL 55 1.895 -2.306 2.470 452 HG23 VAL 55 3HG2 VAL 55 2.675 -0.888 3.175 453 H ASN 56 H ASN 56 3.224 -1.508 6.773 454 HA ASN 56 HA ASN 56 4.807 0.918 6.713 455 HB2 ASN 56 2HB ASN 56 5.317 -1.894 7.797 456 HB3 ASN 56 3HB ASN 56 6.510 -0.597 7.884 457 HD21 ASN 56 1HD2 ASN 56 3.301 -1.593 8.953 458 HD22 ASN 56 2HD2 ASN 56 3.248 -0.558 10.335 459 HA PRO 57 HA PRO 57 7.316 -0.176 3.039 460 HB2 PRO 57 2HB PRO 57 9.809 0.735 3.781 461 HB3 PRO 57 3HB PRO 57 8.485 1.844 3.359 462 HG2 PRO 57 2HG PRO 57 9.332 0.918 6.105 463 HG3 PRO 57 3HG PRO 57 9.074 2.575 5.528 464 HD2 PRO 57 2HD PRO 57 7.150 1.346 6.900 465 HD3 PRO 57 3HD PRO 57 6.719 2.329 5.474 466 H ARG 58 H ARG 58 7.823 -1.477 6.173 467 HA ARG 58 HA ARG 58 9.949 -3.342 5.514 468 HB2 ARG 58 2HB ARG 58 8.203 -3.345 8.013 469 HB3 ARG 58 3HB ARG 58 9.777 -4.097 7.808 470 HG2 ARG 58 2HG ARG 58 9.166 -1.137 8.052 471 HG3 ARG 58 3HG ARG 58 10.046 -2.158 9.188 472 HD2 ARG 58 2HD ARG 58 10.962 -1.321 6.420 473 HD3 ARG 58 3HD ARG 58 11.599 -0.749 7.963 474 HE ARG 58 HE ARG 58 12.012 -3.420 8.116 475 HH11 ARG 58 1HH1 ARG 58 12.848 -1.072 5.639 476 HH12 ARG 58 2HH1 ARG 58 14.254 -1.934 5.116 477 HH21 ARG 58 1HH2 ARG 58 13.857 -4.560 7.403 478 HH22 ARG 58 2HH2 ARG 58 14.829 -3.918 6.119 479 H ALA 59 H ALA 59 6.651 -3.270 4.881 480 HA ALA 59 HA ALA 59 5.739 -5.821 5.696 481 HB1 ALA 59 1HB ALA 59 3.785 -5.340 4.226 482 HB2 ALA 59 2HB ALA 59 4.648 -3.947 3.568 483 HB3 ALA 59 3HB ALA 59 4.199 -3.978 5.267 484 H LYS 60 H LYS 60 5.734 -7.773 4.741 485 HA LYS 60 HA LYS 60 7.712 -8.364 2.761 486 HB2 LYS 60 2HB LYS 60 6.980 -10.752 3.086 487 HB3 LYS 60 3HB LYS 60 7.440 -9.924 4.569 488 HG2 LYS 60 2HG LYS 60 5.138 -9.661 5.240 489 HG3 LYS 60 3HG LYS 60 4.555 -10.262 3.688 490 HD2 LYS 60 2HD LYS 60 6.196 -11.920 5.642 491 HD3 LYS 60 3HD LYS 60 4.433 -11.929 5.583 492 HE2 LYS 60 2HE LYS 60 4.473 -12.797 3.291 493 HE3 LYS 60 3HE LYS 60 6.238 -12.690 3.257 494 HZ1 LYS 60 1HZ LYS 60 6.412 -14.374 4.873 495 HZ2 LYS 60 2HZ LYS 60 5.300 -14.937 3.733 496 HZ3 LYS 60 3HZ LYS 60 4.759 -14.345 5.216 497 H TRP 61 H TRP 61 4.174 -8.261 2.719 498 HA TRP 61 HA TRP 61 3.908 -9.558 0.169 499 HB2 TRP 61 2HB TRP 61 1.554 -9.252 0.401 500 HB3 TRP 61 3HB TRP 61 2.130 -9.497 2.045 501 HD1 TRP 61 HD1 TRP 61 2.492 -7.001 3.475 502 HE1 TRP 61 HE1 TRP 61 0.951 -4.956 3.413 503 HE3 TRP 61 HE3 TRP 61 -0.076 -8.013 -0.839 504 HZ2 TRP 61 HZ2 TRP 61 -1.101 -3.904 1.787 505 HZ3 TRP 61 HZ3 TRP 61 -1.820 -6.435 -1.573 506 HH2 TRP 61 HH2 TRP 61 -2.312 -4.418 -0.286 507 H LEU 62 H LEU 62 4.470 -6.298 1.230 508 HA LEU 62 HA LEU 62 3.674 -4.816 -1.048 509 HB2 LEU 62 2HB LEU 62 4.144 -3.773 1.121 510 HB3 LEU 62 3HB LEU 62 5.825 -4.267 1.030 511 HG LEU 62 HG LEU 62 6.081 -2.724 -0.982 512 HD11 LEU 62 1HD1 LEU 62 4.407 -0.976 -1.376 513 HD12 LEU 62 2HD1 LEU 62 3.325 -1.719 -0.198 514 HD13 LEU 62 3HD1 LEU 62 3.737 -2.576 -1.681 515 HD21 LEU 62 1HD2 LEU 62 5.256 -1.404 1.625 516 HD22 LEU 62 2HD2 LEU 62 6.202 -0.652 0.337 517 HD23 LEU 62 3HD2 LEU 62 6.862 -2.023 1.222 518 H GLN 63 H GLN 63 6.511 -6.754 -0.317 519 HA GLN 63 HA GLN 63 8.309 -5.910 -2.313 520 HB2 GLN 63 2HB GLN 63 7.962 -8.728 -1.182 521 HB3 GLN 63 3HB GLN 63 9.364 -8.162 -2.084 522 HG2 GLN 63 2HG GLN 63 9.916 -6.585 -0.283 523 HG3 GLN 63 3HG GLN 63 8.475 -7.070 0.607 524 HE21 GLN 63 1HE2 GLN 63 9.675 -7.757 2.412 525 HE22 GLN 63 2HE2 GLN 63 10.650 -9.185 2.391 526 H ARG 64 H ARG 64 5.559 -8.129 -2.410 527 HA ARG 64 HA ARG 64 5.899 -9.158 -5.038 528 HB2 ARG 64 2HB ARG 64 3.429 -8.894 -3.266 529 HB3 ARG 64 3HB ARG 64 3.368 -9.630 -4.863 530 HG2 ARG 64 2HG ARG 64 5.020 -11.322 -4.126 531 HG3 ARG 64 3HG ARG 64 5.003 -10.618 -2.510 532 HD2 ARG 64 2HD ARG 64 2.744 -11.289 -2.133 533 HD3 ARG 64 3HD ARG 64 2.476 -11.640 -3.847 534 HE ARG 64 HE ARG 64 4.537 -13.304 -3.004 535 HH11 ARG 64 1HH1 ARG 64 1.117 -12.912 -2.263 536 HH12 ARG 64 2HH1 ARG 64 0.897 -14.580 -1.842 537 HH21 ARG 64 1HH2 ARG 64 4.219 -15.487 -2.464 538 HH22 ARG 64 2HH2 ARG 64 2.651 -16.035 -1.958 539 H LEU 65 H LEU 65 4.287 -6.290 -3.737 540 HA LEU 65 HA LEU 65 2.853 -5.585 -6.127 541 HB2 LEU 65 2HB LEU 65 3.387 -4.205 -3.488 542 HB3 LEU 65 3HB LEU 65 2.738 -3.278 -4.818 543 HG LEU 65 HG LEU 65 0.759 -4.801 -4.919 544 HD11 LEU 65 1HD1 LEU 65 0.295 -6.362 -3.093 545 HD12 LEU 65 2HD1 LEU 65 1.898 -6.067 -2.418 546 HD13 LEU 65 3HD1 LEU 65 1.730 -6.838 -3.998 547 HD21 LEU 65 1HD2 LEU 65 0.597 -2.717 -3.669 548 HD22 LEU 65 2HD2 LEU 65 1.234 -3.501 -2.223 549 HD23 LEU 65 3HD2 LEU 65 -0.338 -3.978 -2.870 550 H LEU 66 H LEU 66 5.924 -4.609 -4.684 551 HA LEU 66 HA LEU 66 6.615 -2.582 -6.568 552 HB2 LEU 66 2HB LEU 66 8.429 -4.309 -4.828 553 HB3 LEU 66 3HB LEU 66 8.922 -2.842 -5.664 554 HG LEU 66 HG LEU 66 6.884 -2.972 -3.401 555 HD11 LEU 66 1HD1 LEU 66 8.572 -1.862 -2.016 556 HD12 LEU 66 2HD1 LEU 66 9.741 -1.950 -3.337 557 HD13 LEU 66 3HD1 LEU 66 9.144 -3.431 -2.583 558 HD21 LEU 66 1HD2 LEU 66 6.996 -0.499 -3.404 559 HD22 LEU 66 2HD2 LEU 66 6.348 -1.134 -4.911 560 HD23 LEU 66 3HD2 LEU 66 8.013 -0.547 -4.847 561 H ARG 67 H ARG 67 7.491 -6.020 -6.235 562 HA ARG 67 HA ARG 67 9.095 -6.186 -8.580 563 HB2 ARG 67 2HB ARG 67 9.275 -7.728 -6.641 564 HB3 ARG 67 3HB ARG 67 7.684 -8.384 -7.007 565 HG2 ARG 67 2HG ARG 67 8.548 -9.261 -9.156 566 HG3 ARG 67 3HG ARG 67 10.142 -8.604 -8.775 567 HD2 ARG 67 2HD ARG 67 10.001 -11.022 -8.286 568 HD3 ARG 67 3HD ARG 67 10.322 -10.074 -6.830 569 HE ARG 67 HE ARG 67 7.643 -11.158 -7.538 570 HH11 ARG 67 1HH1 ARG 67 10.077 -10.449 -5.084 571 HH12 ARG 67 2HH1 ARG 67 9.111 -11.060 -3.786 572 HH21 ARG 67 1HH2 ARG 67 6.410 -11.954 -5.818 573 HH22 ARG 67 2HH2 ARG 67 7.032 -11.915 -4.210 574 H HIS 68 H HIS 68 5.647 -6.345 -8.055 575 HA HIS 68 HA HIS 68 4.804 -7.820 -10.314 576 HB2 HIS 68 2HB HIS 68 3.358 -7.233 -8.345 577 HB3 HIS 68 3HB HIS 68 3.310 -5.568 -8.896 578 HD1 HIS 68 HD1 HIS 68 1.784 -8.905 -9.437 579 HD2 HIS 68 HD2 HIS 68 1.678 -5.158 -11.238 580 HE1 HIS 68 HE1 HIS 68 -0.208 -8.939 -10.963 581 HE2 HIS 68 HE2 HIS 68 -0.353 -6.606 -11.884 582 H VAL 69 H VAL 69 5.489 -4.364 -9.870 583 HA VAL 69 HA VAL 69 4.637 -3.718 -12.600 584 HB VAL 69 HB VAL 69 3.997 -2.193 -10.741 585 HG11 VAL 69 1HG1 VAL 69 5.635 -0.633 -9.733 586 HG12 VAL 69 2HG1 VAL 69 6.947 -1.521 -10.507 587 HG13 VAL 69 3HG1 VAL 69 5.953 -2.309 -9.283 588 HG21 VAL 69 1HG2 VAL 69 5.765 -0.875 -12.836 589 HG22 VAL 69 2HG2 VAL 69 4.512 -0.065 -11.888 590 HG23 VAL 69 3HG2 VAL 69 4.070 -1.328 -13.040 591 H GLN 70 H GLN 70 7.589 -4.179 -10.782 592 HA GLN 70 HA GLN 70 9.345 -3.111 -12.879 593 HB2 GLN 70 2HB GLN 70 9.961 -4.460 -10.213 594 HB3 GLN 70 3HB GLN 70 11.171 -3.749 -11.282 595 HG2 GLN 70 2HG GLN 70 10.203 -1.532 -10.947 596 HG3 GLN 70 3HG GLN 70 8.917 -2.216 -9.951 597 HE21 GLN 70 1HE2 GLN 70 9.422 -2.941 -7.866 598 HE22 GLN 70 2HE2 GLN 70 10.863 -2.468 -7.056 599 H SER 71 H SER 71 10.953 -4.432 -13.947 600 HA SER 71 HA SER 71 10.104 -6.998 -14.835 601 HB2 SER 71 2HB SER 71 11.551 -5.480 -16.214 602 HB3 SER 71 3HB SER 71 12.879 -5.738 -15.085 603 HG SER 71 HG SER 71 12.574 -7.104 -17.151 604 H LYS 72 H LYS 72 10.486 -8.954 -14.009 605 HA LYS 72 HA LYS 72 11.742 -9.121 -11.365 606 HB2 LYS 72 2HB LYS 72 10.187 -11.371 -12.697 607 HB3 LYS 72 3HB LYS 72 10.397 -11.033 -10.979 608 HG2 LYS 72 2HG LYS 72 8.984 -8.949 -11.312 609 HG3 LYS 72 3HG LYS 72 8.654 -9.521 -12.951 610 HD2 LYS 72 2HD LYS 72 7.698 -11.633 -11.933 611 HD3 LYS 72 3HD LYS 72 7.903 -10.898 -10.341 612 HE2 LYS 72 2HE LYS 72 5.597 -10.621 -11.069 613 HE3 LYS 72 3HE LYS 72 6.383 -9.045 -11.037 614 HZ1 LYS 72 1HZ LYS 72 5.069 -9.277 -13.015 615 HZ2 LYS 72 2HZ LYS 72 5.863 -10.701 -13.449 616 HZ3 LYS 72 3HZ LYS 72 6.702 -9.238 -13.451 617 H SER 73 H SER 73 11.526 -11.480 -14.043 618 HA SER 73 HA SER 73 14.384 -11.620 -14.474 619 HB2 SER 73 2HB SER 73 12.897 -13.962 -13.191 620 HB3 SER 73 3HB SER 73 14.460 -14.140 -14.004 621 HG SER 73 HG SER 73 14.926 -12.225 -12.406 622 H LEU 74 H LEU 74 14.074 -11.229 -16.632 623 HA LEU 74 HA LEU 74 12.048 -12.435 -18.252 624 HB2 LEU 74 2HB LEU 74 13.432 -10.231 -18.647 625 HB3 LEU 74 3HB LEU 74 14.632 -11.282 -19.367 626 HG LEU 74 HG LEU 74 11.779 -10.831 -20.362 627 HD11 LEU 74 1HD1 LEU 74 13.266 -8.957 -20.838 628 HD12 LEU 74 2HD1 LEU 74 12.820 -9.796 -22.320 629 HD13 LEU 74 3HD1 LEU 74 14.422 -10.040 -21.618 630 HD21 LEU 74 1HD2 LEU 74 12.380 -13.164 -20.832 631 HD22 LEU 74 2HD2 LEU 74 13.871 -12.643 -21.618 632 HD23 LEU 74 3HD2 LEU 74 12.309 -12.220 -22.321 633 H SER 75 H SER 75 12.142 -14.615 -17.952 634 HA SER 75 HA SER 75 14.508 -16.120 -18.919 635 HB2 SER 75 2HB SER 75 13.689 -16.632 -16.594 636 HB3 SER 75 3HB SER 75 12.123 -17.091 -17.262 637 HG SER 75 HG SER 75 13.513 -18.885 -16.893 638 H SER 76 H SER 76 13.727 -18.274 -20.004 639 HA SER 76 HA SER 76 12.022 -17.685 -22.249 640 HB2 SER 76 2HB SER 76 12.461 -20.075 -22.884 641 HB3 SER 76 3HB SER 76 13.949 -19.197 -22.526 642 HG SER 76 HG SER 76 13.539 -20.129 -20.274 643 H THR 77 H THR 77 9.817 -17.966 -22.331 644 HA THR 77 HA THR 77 8.358 -18.999 -20.090 645 HB THR 77 HB THR 77 7.323 -17.208 -21.327 646 HG1 THR 77 HG1 THR 77 6.069 -19.463 -20.801 647 HG21 THR 77 1HG2 THR 77 6.533 -17.412 -23.662 648 HG22 THR 77 2HG2 THR 77 7.298 -18.998 -23.780 649 HG23 THR 77 3HG2 THR 77 8.293 -17.560 -23.564 650 HA PRO 78 HA PRO 78 8.581 -23.410 -21.332 651 HB2 PRO 78 2HB PRO 78 6.198 -23.481 -19.457 652 HB3 PRO 78 3HB PRO 78 7.610 -24.562 -19.523 653 HG2 PRO 78 2HG PRO 78 7.466 -22.736 -17.617 654 HG3 PRO 78 3HG PRO 78 9.016 -23.017 -18.449 655 HD2 PRO 78 2HD PRO 78 7.050 -20.760 -18.833 656 HD3 PRO 78 3HD PRO 78 8.831 -20.723 -18.818 657 H GLN 79 H GLN 79 7.765 -24.032 -23.243 658 HA GLN 79 HA GLN 79 5.477 -22.973 -24.492 659 HB2 GLN 79 2HB GLN 79 5.815 -24.547 -26.286 660 HB3 GLN 79 3HB GLN 79 7.387 -23.986 -25.737 661 HG2 GLN 79 2HG GLN 79 7.772 -26.134 -24.580 662 HG3 GLN 79 3HG GLN 79 6.158 -26.672 -25.022 663 HE21 GLN 79 1HE2 GLN 79 9.377 -25.989 -26.207 664 HE22 GLN 79 2HE2 GLN 79 9.205 -26.830 -27.707 665 H ALA 80 H ALA 80 3.407 -23.731 -24.798 666 HA ALA 80 HA ALA 80 2.493 -26.096 -23.269 667 HB1 ALA 80 1HB ALA 80 1.952 -24.080 -21.963 668 HB2 ALA 80 2HB ALA 80 0.479 -24.830 -22.578 669 HB3 ALA 80 3HB ALA 80 1.120 -23.376 -23.351 670 HA PRO 81 HA PRO 81 0.857 -26.833 -27.431 671 HB2 PRO 81 2HB PRO 81 -0.344 -29.266 -26.999 672 HB3 PRO 81 3HB PRO 81 1.418 -29.078 -27.120 673 HG2 PRO 81 2HG PRO 81 -0.277 -29.352 -24.664 674 HG3 PRO 81 3HG PRO 81 1.303 -30.084 -25.027 675 HD2 PRO 81 2HD PRO 81 1.011 -27.852 -23.445 676 HD3 PRO 81 3HD PRO 81 2.479 -28.191 -24.386 677 H VAL 82 H VAL 82 -0.635 -25.242 -27.671 678 HA VAL 82 HA VAL 82 -3.068 -24.877 -26.340 679 HB VAL 82 HB VAL 82 -1.886 -23.175 -27.794 680 HG11 VAL 82 1HG1 VAL 82 -3.181 -24.634 -30.129 681 HG12 VAL 82 2HG1 VAL 82 -1.453 -24.510 -29.815 682 HG13 VAL 82 3HG1 VAL 82 -2.374 -23.065 -30.219 683 HG21 VAL 82 1HG2 VAL 82 -4.850 -23.520 -28.356 684 HG22 VAL 82 2HG2 VAL 82 -3.933 -22.021 -28.540 685 HG23 VAL 82 3HG2 VAL 82 -4.143 -22.739 -26.941 686 H SER 83 H SER 83 -5.252 -25.407 -26.894 687 HA SER 83 HA SER 83 -5.570 -28.007 -28.137 688 HB2 SER 83 2HB SER 83 -6.830 -27.339 -26.065 689 HB3 SER 83 3HB SER 83 -7.729 -26.163 -27.021 690 HG SER 83 HG SER 83 -8.030 -28.880 -26.831 691 H LYS 84 H LYS 84 -4.776 -27.249 -30.186 692 HA LYS 84 HA LYS 84 -6.819 -26.767 -32.133 693 HB2 LYS 84 2HB LYS 84 -6.149 -24.403 -31.272 694 HB3 LYS 84 3HB LYS 84 -4.579 -24.680 -32.000 695 HG2 LYS 84 2HG LYS 84 -7.210 -24.644 -33.536 696 HG3 LYS 84 3HG LYS 84 -6.127 -23.265 -33.377 697 HD2 LYS 84 2HD LYS 84 -5.489 -25.894 -34.781 698 HD3 LYS 84 3HD LYS 84 -5.871 -24.367 -35.567 699 HE2 LYS 84 2HE LYS 84 -3.417 -24.917 -33.855 700 HE3 LYS 84 3HE LYS 84 -3.450 -24.804 -35.615 701 HZ1 LYS 84 1HZ LYS 84 -4.078 -22.621 -33.714 702 HZ2 LYS 84 2HZ LYS 84 -4.163 -22.501 -35.399 703 HZ3 LYS 84 3HZ LYS 84 -2.676 -22.765 -34.645 704 H ARG 85 H ARG 85 -6.213 -28.406 -33.379 705 HA ARG 85 HA ARG 85 -3.366 -28.865 -34.062 706 HB2 ARG 85 2HB ARG 85 -5.733 -30.801 -34.064 707 HB3 ARG 85 3HB ARG 85 -4.168 -31.175 -34.767 708 HG2 ARG 85 2HG ARG 85 -4.291 -32.239 -32.628 709 HG3 ARG 85 3HG ARG 85 -3.122 -30.928 -32.514 710 HD2 ARG 85 2HD ARG 85 -4.690 -31.225 -30.523 711 HD3 ARG 85 3HD ARG 85 -4.606 -29.594 -31.196 712 HE ARG 85 HE ARG 85 -6.717 -30.603 -32.511 713 HH11 ARG 85 1HH1 ARG 85 -6.025 -30.635 -29.057 714 HH12 ARG 85 2HH1 ARG 85 -7.703 -30.625 -28.615 715 HH21 ARG 85 1HH2 ARG 85 -8.869 -30.536 -31.919 716 HH22 ARG 85 2HH2 ARG 85 -9.320 -30.569 -30.245 717 H ARG 86 H ARG 86 -3.008 -29.582 -36.276 718 HA ARG 86 HA ARG 86 -4.165 -27.864 -38.217 719 HB2 ARG 86 2HB ARG 86 -1.810 -28.694 -38.285 720 HB3 ARG 86 3HB ARG 86 -2.392 -30.323 -38.604 721 HG2 ARG 86 2HG ARG 86 -1.568 -29.256 -40.653 722 HG3 ARG 86 3HG ARG 86 -3.295 -29.596 -40.776 723 HD2 ARG 86 2HD ARG 86 -2.759 -27.388 -41.711 724 HD3 ARG 86 3HD ARG 86 -3.797 -27.226 -40.290 725 HE ARG 86 HE ARG 86 -0.984 -27.020 -39.689 726 HH11 ARG 86 1HH1 ARG 86 -3.769 -25.148 -40.765 727 HH12 ARG 86 2HH1 ARG 86 -3.100 -23.641 -40.235 728 HH21 ARG 86 1HH2 ARG 86 -0.119 -25.018 -39.027 729 HH22 ARG 86 2HH2 ARG 86 -1.039 -23.569 -39.252 730 H ALA 87 H ALA 87 -4.716 -31.223 -37.308 731 HA ALA 87 HA ALA 87 -6.731 -31.628 -39.428 732 HB1 ALA 87 1HB ALA 87 -6.578 -34.010 -38.830 733 HB2 ALA 87 2HB ALA 87 -5.465 -33.627 -37.511 734 HB3 ALA 87 3HB ALA 87 -4.981 -33.355 -39.187 735 H ALA 88 H ALA 88 -6.733 -30.376 -36.351 736 HA ALA 88 HA ALA 88 -9.537 -31.015 -35.894 737 HB1 ALA 88 1HB ALA 88 -8.437 -32.946 -34.813 738 HB2 ALA 88 2HB ALA 88 -9.224 -31.912 -33.619 739 HB3 ALA 88 3HB ALA 88 -7.472 -31.851 -33.817 Start of MODEL 13 1 H1 ILE 1 1H ILE 1 -1.270 5.531 27.326 2 H2 ILE 1 2H ILE 1 -2.927 5.291 27.122 3 H3 ILE 1 3H ILE 1 -2.354 6.788 27.631 4 HA ILE 1 HA ILE 1 -1.261 7.153 25.549 5 HB ILE 1 HB ILE 1 -2.466 4.453 24.760 6 HG12 ILE 1 2HG1 ILE 1 0.476 5.223 25.067 7 HG13 ILE 1 3HG1 ILE 1 -0.432 4.217 26.188 8 HG21 ILE 1 1HG2 ILE 1 -2.537 6.021 22.872 9 HG22 ILE 1 2HG2 ILE 1 -1.344 4.758 22.574 10 HG23 ILE 1 3HG2 ILE 1 -0.818 6.367 23.071 11 HD11 ILE 1 1HD1 ILE 1 0.987 2.867 24.783 12 HD12 ILE 1 2HD1 ILE 1 0.244 3.524 23.326 13 HD13 ILE 1 3HD1 ILE 1 -0.704 2.521 24.428 14 H LEU 2 H LEU 2 -2.584 8.869 25.117 15 HA LEU 2 HA LEU 2 -5.400 8.372 24.296 16 HB2 LEU 2 2HB LEU 2 -4.177 10.892 25.519 17 HB3 LEU 2 3HB LEU 2 -5.828 10.760 24.936 18 HG LEU 2 HG LEU 2 -4.670 9.210 27.292 19 HD11 LEU 2 1HD1 LEU 2 -6.120 10.618 28.691 20 HD12 LEU 2 2HD1 LEU 2 -6.612 11.542 27.268 21 HD13 LEU 2 3HD1 LEU 2 -4.934 11.582 27.811 22 HD21 LEU 2 1HD2 LEU 2 -7.519 9.262 26.237 23 HD22 LEU 2 2HD2 LEU 2 -6.984 8.470 27.723 24 HD23 LEU 2 3HD2 LEU 2 -6.400 7.898 26.163 25 H GLU 3 H GLU 3 -4.863 7.968 22.137 26 HA GLU 3 HA GLU 3 -3.616 10.055 20.505 27 HB2 GLU 3 2HB GLU 3 -4.871 7.411 19.620 28 HB3 GLU 3 3HB GLU 3 -3.884 8.478 18.631 29 HG2 GLU 3 2HG GLU 3 -2.961 6.882 21.031 30 HG3 GLU 3 3HG GLU 3 -2.614 6.522 19.344 31 H ALA 4 H ALA 4 -5.200 11.716 20.912 32 HA ALA 4 HA ALA 4 -7.938 11.341 19.942 33 HB1 ALA 4 1HB ALA 4 -8.317 13.643 20.732 34 HB2 ALA 4 2HB ALA 4 -6.598 13.812 21.102 35 HB3 ALA 4 3HB ALA 4 -7.584 12.650 21.993 36 H HIS 5 H HIS 5 -8.845 12.962 18.425 37 HA HIS 5 HA HIS 5 -7.193 13.147 16.034 38 HB2 HIS 5 2HB HIS 5 -9.490 12.297 15.830 39 HB3 HIS 5 3HB HIS 5 -10.143 13.768 16.540 40 HD1 HIS 5 HD1 HIS 5 -8.502 12.502 13.373 41 HD2 HIS 5 HD2 HIS 5 -10.645 15.794 14.719 42 HE1 HIS 5 HE1 HIS 5 -9.045 13.838 11.323 43 HE2 HIS 5 HE2 HIS 5 -10.129 15.926 12.196 44 H TYR 6 H TYR 6 -5.700 14.778 16.732 45 HA TYR 6 HA TYR 6 -6.764 17.541 16.769 46 HB2 TYR 6 2HB TYR 6 -4.032 16.388 17.466 47 HB3 TYR 6 3HB TYR 6 -4.268 18.114 17.211 48 HD1 TYR 6 HD1 TYR 6 -5.706 19.437 18.767 49 HD2 TYR 6 HD2 TYR 6 -4.845 15.317 19.538 50 HE1 TYR 6 HE1 TYR 6 -6.478 19.708 21.080 51 HE2 TYR 6 HE2 TYR 6 -5.616 15.598 21.858 52 HH TYR 6 HH TYR 6 -7.296 18.430 22.907 53 H THR 7 H THR 7 -6.317 18.982 15.146 54 HA THR 7 HA THR 7 -5.830 17.961 12.537 55 HB THR 7 HB THR 7 -5.892 20.899 13.384 56 HG1 THR 7 HG1 THR 7 -8.160 20.701 12.925 57 HG21 THR 7 1HG2 THR 7 -6.711 21.294 11.072 58 HG22 THR 7 2HG2 THR 7 -6.563 19.573 10.711 59 HG23 THR 7 3HG2 THR 7 -5.118 20.533 11.042 60 H ASN 8 H ASN 8 -3.819 17.003 12.624 61 HA ASN 8 HA ASN 8 -1.434 18.766 12.727 62 HB2 ASN 8 2HB ASN 8 -1.613 15.830 13.575 63 HB3 ASN 8 3HB ASN 8 -0.149 16.806 13.565 64 HD21 ASN 8 1HD2 ASN 8 -1.500 19.210 14.659 65 HD22 ASN 8 2HD2 ASN 8 -1.795 18.850 16.318 66 H LEU 9 H LEU 9 -0.025 18.561 11.053 67 HA LEU 9 HA LEU 9 -0.949 17.319 8.632 68 HB2 LEU 9 2HB LEU 9 1.498 18.970 9.343 69 HB3 LEU 9 3HB LEU 9 1.382 18.164 7.788 70 HG LEU 9 HG LEU 9 -0.662 19.477 7.242 71 HD11 LEU 9 1HD1 LEU 9 -1.365 21.398 8.604 72 HD12 LEU 9 2HD1 LEU 9 -0.237 20.914 9.872 73 HD13 LEU 9 3HD1 LEU 9 -1.595 19.867 9.451 74 HD21 LEU 9 1HD2 LEU 9 0.432 21.660 6.915 75 HD22 LEU 9 2HD2 LEU 9 1.503 20.320 6.514 76 HD23 LEU 9 3HD2 LEU 9 1.712 21.187 8.038 77 H LYS 10 H LYS 10 -0.997 15.171 8.960 78 HA LYS 10 HA LYS 10 1.556 13.720 8.753 79 HB2 LYS 10 2HB LYS 10 0.860 11.983 10.319 80 HB3 LYS 10 3HB LYS 10 0.803 13.530 11.154 81 HG2 LYS 10 2HG LYS 10 -1.636 13.608 10.933 82 HG3 LYS 10 3HG LYS 10 -1.625 12.115 9.988 83 HD2 LYS 10 2HD LYS 10 -0.689 10.910 11.991 84 HD3 LYS 10 3HD LYS 10 -0.834 12.406 12.919 85 HE2 LYS 10 2HE LYS 10 -3.305 12.382 12.463 86 HE3 LYS 10 3HE LYS 10 -3.106 10.817 11.672 87 HZ1 LYS 10 1HZ LYS 10 -2.349 9.883 13.746 88 HZ2 LYS 10 2HZ LYS 10 -3.843 10.627 13.989 89 HZ3 LYS 10 3HZ LYS 10 -2.427 11.385 14.508 90 H CYS 11 H CYS 11 0.910 11.324 8.112 91 HA CYS 11 HA CYS 11 -0.560 11.573 5.651 92 HB2 CYS 11 2HB CYS 11 0.637 9.044 6.850 93 HB3 CYS 11 3HB CYS 11 0.311 9.379 5.150 94 H ARG 12 H ARG 12 -2.737 11.348 5.545 95 HA ARG 12 HA ARG 12 -4.369 10.303 7.620 96 HB2 ARG 12 2HB ARG 12 -5.158 12.046 6.017 97 HB3 ARG 12 3HB ARG 12 -5.115 10.864 4.710 98 HG2 ARG 12 2HG ARG 12 -6.839 9.514 5.938 99 HG3 ARG 12 3HG ARG 12 -6.912 10.780 7.161 100 HD2 ARG 12 2HD ARG 12 -7.669 12.386 5.411 101 HD3 ARG 12 3HD ARG 12 -7.652 11.071 4.228 102 HE ARG 12 HE ARG 12 -9.356 11.019 6.652 103 HH11 ARG 12 1HH1 ARG 12 -9.080 10.658 3.162 104 HH12 ARG 12 2HH1 ARG 12 -10.722 10.140 2.965 105 HH21 ARG 12 1HH2 ARG 12 -11.500 10.345 6.379 106 HH22 ARG 12 2HH2 ARG 12 -12.091 9.959 4.796 107 H CYS 13 H CYS 13 -5.195 8.303 7.925 108 HA CYS 13 HA CYS 13 -5.003 6.198 5.896 109 HB2 CYS 13 2HB CYS 13 -2.828 6.172 7.115 110 HB3 CYS 13 3HB CYS 13 -3.685 5.986 8.641 111 H SER 14 H SER 14 -6.330 4.349 6.405 112 HA SER 14 HA SER 14 -8.496 4.862 8.354 113 HB2 SER 14 2HB SER 14 -8.342 2.827 6.091 114 HB3 SER 14 3HB SER 14 -9.755 3.150 7.100 115 HG SER 14 HG SER 14 -8.611 5.339 5.821 116 H GLY 15 H GLY 15 -5.615 3.204 8.186 117 HA2 GLY 15 2HA GLY 15 -5.196 2.050 10.453 118 HA3 GLY 15 3HA GLY 15 -6.420 0.920 9.876 119 H VAL 16 H VAL 16 -3.915 0.005 10.504 120 HA VAL 16 HA VAL 16 -2.488 -0.444 7.950 121 HB VAL 16 HB VAL 16 -1.583 -1.115 10.800 122 HG11 VAL 16 1HG1 VAL 16 0.008 -1.144 8.207 123 HG12 VAL 16 2HG1 VAL 16 -0.524 -2.562 9.112 124 HG13 VAL 16 3HG1 VAL 16 0.658 -1.460 9.817 125 HG21 VAL 16 1HG2 VAL 16 -1.758 1.340 10.477 126 HG22 VAL 16 2HG2 VAL 16 -0.685 1.231 9.082 127 HG23 VAL 16 3HG2 VAL 16 -0.081 0.825 10.686 128 H ILE 17 H ILE 17 -2.676 -2.429 6.977 129 HA ILE 17 HA ILE 17 -4.432 -4.413 8.189 130 HB ILE 17 HB ILE 17 -4.403 -5.619 6.058 131 HG12 ILE 17 2HG1 ILE 17 -3.182 -4.222 4.053 132 HG13 ILE 17 3HG1 ILE 17 -2.065 -3.840 5.346 133 HG21 ILE 17 1HG2 ILE 17 -5.965 -3.756 6.320 134 HG22 ILE 17 2HG2 ILE 17 -5.458 -3.894 4.636 135 HG23 ILE 17 3HG2 ILE 17 -4.774 -2.630 5.661 136 HD11 ILE 17 1HD1 ILE 17 -1.653 -6.246 5.676 137 HD12 ILE 17 2HD1 ILE 17 -1.278 -5.704 4.040 138 HD13 ILE 17 3HD1 ILE 17 -2.765 -6.598 4.349 139 H SER 18 H SER 18 -3.912 -6.420 8.827 140 HA SER 18 HA SER 18 -1.083 -7.207 9.088 141 HB2 SER 18 2HB SER 18 -2.028 -8.919 10.707 142 HB3 SER 18 3HB SER 18 -2.316 -7.246 11.188 143 HG SER 18 HG SER 18 -4.425 -7.420 10.460 144 H THR 19 H THR 19 -4.259 -8.692 8.324 145 HA THR 19 HA THR 19 -3.268 -10.927 6.906 146 HB THR 19 HB THR 19 -6.021 -9.604 6.889 147 HG1 THR 19 HG1 THR 19 -4.775 -10.905 8.776 148 HG21 THR 19 1HG2 THR 19 -5.789 -11.032 4.872 149 HG22 THR 19 2HG2 THR 19 -6.895 -11.764 6.036 150 HG23 THR 19 3HG2 THR 19 -5.247 -12.378 5.880 151 H VAL 20 H VAL 20 -2.620 -11.107 4.857 152 HA VAL 20 HA VAL 20 -2.114 -8.838 3.233 153 HB VAL 20 HB VAL 20 -1.229 -10.333 1.500 154 HG11 VAL 20 1HG1 VAL 20 -0.297 -11.216 4.252 155 HG12 VAL 20 2HG1 VAL 20 0.225 -9.768 3.399 156 HG13 VAL 20 3HG1 VAL 20 0.602 -11.364 2.747 157 HG21 VAL 20 1HG2 VAL 20 -1.209 -12.774 1.672 158 HG22 VAL 20 2HG2 VAL 20 -2.870 -12.187 1.616 159 HG23 VAL 20 3HG2 VAL 20 -2.174 -12.717 3.144 160 H VAL 21 H VAL 21 -3.037 -8.131 1.376 161 HA VAL 21 HA VAL 21 -5.842 -8.932 0.885 162 HB VAL 21 HB VAL 21 -5.670 -6.660 1.704 163 HG11 VAL 21 1HG1 VAL 21 -3.342 -6.191 1.254 164 HG12 VAL 21 2HG1 VAL 21 -4.328 -4.922 0.539 165 HG13 VAL 21 3HG1 VAL 21 -3.637 -6.175 -0.483 166 HG21 VAL 21 1HG2 VAL 21 -7.353 -6.956 -0.056 167 HG22 VAL 21 2HG2 VAL 21 -6.163 -6.562 -1.296 168 HG23 VAL 21 3HG2 VAL 21 -6.667 -5.332 -0.135 169 H GLY 22 H GLY 22 -6.580 -9.243 -1.225 170 HA2 GLY 22 2HA GLY 22 -4.758 -10.386 -3.077 171 HA3 GLY 22 3HA GLY 22 -6.478 -10.156 -3.311 172 H LEU 23 H LEU 23 -3.900 -9.687 -4.920 173 HA LEU 23 HA LEU 23 -3.616 -6.936 -5.514 174 HB2 LEU 23 2HB LEU 23 -2.793 -9.460 -6.958 175 HB3 LEU 23 3HB LEU 23 -2.653 -7.921 -7.781 176 HG LEU 23 HG LEU 23 -1.121 -7.128 -5.923 177 HD11 LEU 23 1HD1 LEU 23 -1.704 -8.613 -4.103 178 HD12 LEU 23 2HD1 LEU 23 -0.001 -8.811 -4.509 179 HD13 LEU 23 3HD1 LEU 23 -1.174 -10.020 -5.033 180 HD21 LEU 23 1HD2 LEU 23 0.841 -8.350 -6.759 181 HD22 LEU 23 2HD2 LEU 23 -0.242 -7.889 -8.068 182 HD23 LEU 23 3HD2 LEU 23 -0.215 -9.557 -7.492 183 H ASN 24 H ASN 24 -6.003 -9.209 -6.407 184 HA ASN 24 HA ASN 24 -6.998 -8.259 -8.830 185 HB2 ASN 24 2HB ASN 24 -7.692 -10.402 -7.874 186 HB3 ASN 24 3HB ASN 24 -8.411 -9.600 -6.487 187 HD21 ASN 24 1HD2 ASN 24 -10.445 -8.626 -6.712 188 HD22 ASN 24 2HD2 ASN 24 -11.460 -8.884 -8.087 189 H ILE 25 H ILE 25 -7.518 -7.060 -5.502 190 HA ILE 25 HA ILE 25 -9.441 -5.064 -6.581 191 HB ILE 25 HB ILE 25 -10.289 -4.649 -4.364 192 HG12 ILE 25 2HG1 ILE 25 -8.320 -6.708 -3.257 193 HG13 ILE 25 3HG1 ILE 25 -8.153 -4.967 -3.070 194 HG21 ILE 25 1HG2 ILE 25 -11.285 -6.529 -5.586 195 HG22 ILE 25 2HG2 ILE 25 -11.334 -6.821 -3.848 196 HG23 ILE 25 3HG2 ILE 25 -10.132 -7.642 -4.845 197 HD11 ILE 25 1HD1 ILE 25 -10.393 -6.659 -1.950 198 HD12 ILE 25 2HD1 ILE 25 -10.250 -4.906 -1.788 199 HD13 ILE 25 3HD1 ILE 25 -9.046 -5.960 -1.056 200 H ILE 26 H ILE 26 -6.190 -5.252 -5.936 201 HA ILE 26 HA ILE 26 -5.819 -2.582 -4.845 202 HB ILE 26 HB ILE 26 -3.800 -4.433 -6.205 203 HG12 ILE 26 2HG1 ILE 26 -4.678 -5.477 -4.156 204 HG13 ILE 26 3HG1 ILE 26 -3.005 -4.999 -3.914 205 HG21 ILE 26 1HG2 ILE 26 -3.264 -1.930 -4.550 206 HG22 ILE 26 2HG2 ILE 26 -3.029 -2.101 -6.291 207 HG23 ILE 26 3HG2 ILE 26 -2.034 -3.034 -5.174 208 HD11 ILE 26 1HD1 ILE 26 -3.902 -2.950 -2.720 209 HD12 ILE 26 2HD1 ILE 26 -4.146 -4.504 -1.937 210 HD13 ILE 26 3HD1 ILE 26 -5.484 -3.737 -2.775 211 H ASP 27 H ASP 27 -5.846 -0.726 -5.998 212 HA ASP 27 HA ASP 27 -6.073 -0.865 -8.950 213 HB2 ASP 27 2HB ASP 27 -8.000 0.085 -7.639 214 HB3 ASP 27 3HB ASP 27 -6.948 1.355 -7.046 215 H ARG 28 H ARG 28 -4.802 1.294 -6.393 216 HA ARG 28 HA ARG 28 -2.373 1.858 -7.944 217 HB2 ARG 28 2HB ARG 28 -4.273 4.014 -6.895 218 HB3 ARG 28 3HB ARG 28 -2.630 4.337 -7.437 219 HG2 ARG 28 2HG ARG 28 -3.212 3.628 -9.716 220 HG3 ARG 28 3HG ARG 28 -4.841 3.203 -9.188 221 HD2 ARG 28 2HD ARG 28 -4.850 5.363 -10.333 222 HD3 ARG 28 3HD ARG 28 -5.275 5.574 -8.629 223 HE ARG 28 HE ARG 28 -2.493 5.991 -9.483 224 HH11 ARG 28 1HH1 ARG 28 -5.480 7.440 -8.301 225 HH12 ARG 28 2HH1 ARG 28 -4.713 8.948 -7.899 226 HH21 ARG 28 1HH2 ARG 28 -1.525 7.943 -8.952 227 HH22 ARG 28 2HH2 ARG 28 -2.474 9.228 -8.273 228 H ILE 29 H ILE 29 -0.647 2.653 -6.640 229 HA ILE 29 HA ILE 29 -1.004 2.469 -3.698 230 HB ILE 29 HB ILE 29 1.362 1.468 -5.366 231 HG12 ILE 29 2HG1 ILE 29 -0.594 -0.011 -3.549 232 HG13 ILE 29 3HG1 ILE 29 -0.539 -0.107 -5.301 233 HG21 ILE 29 1HG2 ILE 29 2.415 0.793 -3.200 234 HG22 ILE 29 2HG2 ILE 29 1.145 1.662 -2.340 235 HG23 ILE 29 3HG2 ILE 29 2.267 2.544 -3.370 236 HD11 ILE 29 1HD1 ILE 29 0.396 -2.078 -4.276 237 HD12 ILE 29 2HD1 ILE 29 1.585 -1.112 -3.406 238 HD13 ILE 29 3HD1 ILE 29 1.641 -1.208 -5.170 239 H GLN 30 H GLN 30 -0.818 4.491 -2.943 240 HA GLN 30 HA GLN 30 1.038 6.437 -4.135 241 HB2 GLN 30 2HB GLN 30 -1.271 7.179 -3.727 242 HB3 GLN 30 3HB GLN 30 -1.155 6.715 -2.035 243 HG2 GLN 30 2HG GLN 30 -0.996 9.161 -2.379 244 HG3 GLN 30 3HG GLN 30 0.435 8.489 -1.597 245 HE21 GLN 30 1HE2 GLN 30 2.400 8.536 -2.687 246 HE22 GLN 30 2HE2 GLN 30 2.650 9.432 -4.140 247 H VAL 31 H VAL 31 3.071 6.143 -3.376 248 HA VAL 31 HA VAL 31 3.571 5.332 -0.599 249 HB VAL 31 HB VAL 31 5.478 5.758 -2.949 250 HG11 VAL 31 1HG1 VAL 31 6.169 4.790 -0.151 251 HG12 VAL 31 2HG1 VAL 31 6.658 6.329 -0.865 252 HG13 VAL 31 3HG1 VAL 31 7.268 4.813 -1.532 253 HG21 VAL 31 1HG2 VAL 31 4.605 3.199 -1.547 254 HG22 VAL 31 2HG2 VAL 31 5.784 3.301 -2.857 255 HG23 VAL 31 3HG2 VAL 31 4.099 3.715 -3.157 256 H THR 32 H THR 32 3.649 6.889 0.900 257 HA THR 32 HA THR 32 4.364 9.651 0.318 258 HB THR 32 HB THR 32 3.701 8.433 3.039 259 HG1 THR 32 HG1 THR 32 1.864 8.023 2.030 260 HG21 THR 32 1HG2 THR 32 3.436 11.286 2.000 261 HG22 THR 32 2HG2 THR 32 4.662 10.716 3.138 262 HG23 THR 32 3HG2 THR 32 2.960 10.724 3.604 263 HA PRO 33 HA PRO 33 8.643 8.456 1.500 264 HB2 PRO 33 2HB PRO 33 9.869 10.802 0.770 265 HB3 PRO 33 3HB PRO 33 9.374 9.576 -0.413 266 HG2 PRO 33 2HG PRO 33 7.950 12.103 0.369 267 HG3 PRO 33 3HG PRO 33 8.248 11.440 -1.254 268 HD2 PRO 33 2HD PRO 33 5.865 11.130 0.015 269 HD3 PRO 33 3HD PRO 33 6.511 9.897 -1.093 270 HA PRO 34 HA PRO 34 8.808 10.128 5.659 271 HB2 PRO 34 2HB PRO 34 11.550 10.050 6.165 272 HB3 PRO 34 3HB PRO 34 10.494 8.625 6.193 273 HG2 PRO 34 2HG PRO 34 12.285 9.587 3.989 274 HG3 PRO 34 3HG PRO 34 12.036 7.932 4.594 275 HD2 PRO 34 2HD PRO 34 10.833 8.781 2.338 276 HD3 PRO 34 3HD PRO 34 10.007 7.675 3.458 277 H GLY 35 H GLY 35 8.231 12.228 5.760 278 HA2 GLY 35 2HA GLY 35 9.704 14.332 6.450 279 HA3 GLY 35 3HA GLY 35 9.877 14.408 4.699 280 H ASN 36 H ASN 36 7.109 13.271 4.383 281 HA ASN 36 HA ASN 36 5.720 15.840 4.326 282 HB2 ASN 36 2HB ASN 36 4.903 13.110 3.228 283 HB3 ASN 36 3HB ASN 36 4.037 14.619 2.942 284 HD21 ASN 36 1HD2 ASN 36 5.379 12.722 1.092 285 HD22 ASN 36 2HD2 ASN 36 6.471 13.697 0.172 286 H GLY 37 H GLY 37 5.709 15.796 6.744 287 HA2 GLY 37 2HA GLY 37 4.439 15.864 8.647 288 HA3 GLY 37 3HA GLY 37 3.115 15.119 7.768 289 H CYS 38 H CYS 38 5.706 13.128 7.330 290 HA CYS 38 HA CYS 38 5.126 11.420 9.661 291 HB2 CYS 38 2HB CYS 38 5.077 10.576 6.728 292 HB3 CYS 38 3HB CYS 38 4.964 9.470 8.100 293 HA PRO 39 HA PRO 39 9.666 11.330 9.450 294 HB2 PRO 39 2HB PRO 39 10.153 9.712 11.602 295 HB3 PRO 39 3HB PRO 39 9.596 11.389 11.791 296 HG2 PRO 39 2HG PRO 39 7.974 8.857 11.868 297 HG3 PRO 39 3HG PRO 39 7.954 10.232 12.999 298 HD2 PRO 39 2HD PRO 39 6.095 9.984 11.042 299 HD3 PRO 39 3HD PRO 39 6.691 11.577 11.558 300 H LYS 40 H LYS 40 7.553 8.594 9.134 301 HA LYS 40 HA LYS 40 9.724 6.863 8.060 302 HB2 LYS 40 2HB LYS 40 6.931 6.009 8.942 303 HB3 LYS 40 3HB LYS 40 8.289 4.960 8.545 304 HG2 LYS 40 2HG LYS 40 9.474 5.676 10.567 305 HG3 LYS 40 3HG LYS 40 8.183 6.829 10.933 306 HD2 LYS 40 2HD LYS 40 6.572 4.898 11.088 307 HD3 LYS 40 3HD LYS 40 7.933 3.790 10.871 308 HE2 LYS 40 2HE LYS 40 7.632 5.772 13.152 309 HE3 LYS 40 3HE LYS 40 7.286 4.046 13.248 310 HZ1 LYS 40 1HZ LYS 40 9.452 4.535 14.142 311 HZ2 LYS 40 2HZ LYS 40 9.938 5.268 12.702 312 HZ3 LYS 40 3HZ LYS 40 9.622 3.607 12.741 313 H THR 41 H THR 41 8.817 5.319 6.311 314 HA THR 41 HA THR 41 7.532 6.844 4.189 315 HB THR 41 HB THR 41 8.523 3.951 4.170 316 HG1 THR 41 HG1 THR 41 10.146 5.636 4.652 317 HG21 THR 41 1HG2 THR 41 8.673 4.254 1.720 318 HG22 THR 41 2HG2 THR 41 7.993 5.875 1.876 319 HG23 THR 41 3HG2 THR 41 7.011 4.464 2.284 320 H GLU 42 H GLU 42 5.332 6.880 4.122 321 HA GLU 42 HA GLU 42 3.777 4.684 5.365 322 HB2 GLU 42 2HB GLU 42 2.861 7.473 4.530 323 HB3 GLU 42 3HB GLU 42 1.915 6.295 5.432 324 HG2 GLU 42 2HG GLU 42 4.415 7.711 6.394 325 HG3 GLU 42 3HG GLU 42 2.760 8.037 6.907 326 H VAL 43 H VAL 43 3.172 3.167 3.917 327 HA VAL 43 HA VAL 43 2.797 3.899 1.093 328 HB VAL 43 HB VAL 43 2.775 1.145 2.402 329 HG11 VAL 43 1HG1 VAL 43 3.112 0.287 0.115 330 HG12 VAL 43 2HG1 VAL 43 3.015 1.925 -0.527 331 HG13 VAL 43 3HG1 VAL 43 1.603 1.190 0.235 332 HG21 VAL 43 1HG2 VAL 43 4.957 2.277 2.714 333 HG22 VAL 43 2HG2 VAL 43 5.073 2.538 0.971 334 HG23 VAL 43 3HG2 VAL 43 5.089 0.902 1.623 335 H VAL 44 H VAL 44 0.864 4.850 0.909 336 HA VAL 44 HA VAL 44 -1.555 3.783 2.199 337 HB VAL 44 HB VAL 44 -1.143 6.362 0.587 338 HG11 VAL 44 1HG1 VAL 44 -3.498 5.613 0.624 339 HG12 VAL 44 2HG1 VAL 44 -3.277 7.118 1.520 340 HG13 VAL 44 3HG1 VAL 44 -3.456 5.595 2.391 341 HG21 VAL 44 1HG2 VAL 44 -1.188 6.040 3.616 342 HG22 VAL 44 2HG2 VAL 44 -1.096 7.570 2.739 343 HG23 VAL 44 3HG2 VAL 44 0.232 6.414 2.633 344 H ILE 45 H ILE 45 -2.406 2.174 0.992 345 HA ILE 45 HA ILE 45 -2.269 2.202 -1.946 346 HB ILE 45 HB ILE 45 -3.165 -0.032 -0.060 347 HG12 ILE 45 2HG1 ILE 45 -0.484 0.289 -1.478 348 HG13 ILE 45 3HG1 ILE 45 -0.745 0.550 0.238 349 HG21 ILE 45 1HG2 ILE 45 -2.940 -1.512 -2.035 350 HG22 ILE 45 2HG2 ILE 45 -2.554 -0.113 -3.038 351 HG23 ILE 45 3HG2 ILE 45 -4.151 -0.254 -2.300 352 HD11 ILE 45 1HD1 ILE 45 -1.317 -1.817 0.501 353 HD12 ILE 45 2HD1 ILE 45 0.298 -1.583 -0.166 354 HD13 ILE 45 3HD1 ILE 45 -1.026 -2.077 -1.223 355 H TRP 46 H TRP 46 -4.031 2.712 -3.108 356 HA TRP 46 HA TRP 46 -6.712 2.870 -1.876 357 HB2 TRP 46 2HB TRP 46 -5.492 4.140 -4.369 358 HB3 TRP 46 3HB TRP 46 -7.215 4.217 -4.007 359 HD1 TRP 46 HD1 TRP 46 -3.820 5.401 -2.508 360 HE1 TRP 46 HE1 TRP 46 -4.274 7.480 -1.068 361 HE3 TRP 46 HE3 TRP 46 -8.934 5.524 -2.814 362 HZ2 TRP 46 HZ2 TRP 46 -6.485 8.990 -0.191 363 HZ3 TRP 46 HZ3 TRP 46 -10.145 7.329 -1.654 364 HH2 TRP 46 HH2 TRP 46 -8.941 9.029 -0.365 365 H THR 47 H THR 47 -8.034 1.204 -2.281 366 HA THR 47 HA THR 47 -7.488 -0.752 -4.362 367 HB THR 47 HB THR 47 -9.581 -1.859 -3.472 368 HG1 THR 47 HG1 THR 47 -9.556 -0.057 -1.330 369 HG21 THR 47 1HG2 THR 47 -7.539 -1.112 -1.339 370 HG22 THR 47 2HG2 THR 47 -7.376 -2.440 -2.493 371 HG23 THR 47 3HG2 THR 47 -8.652 -2.481 -1.274 372 H LYS 48 H LYS 48 -9.386 -1.496 -5.763 373 HA LYS 48 HA LYS 48 -10.301 0.584 -7.480 374 HB2 LYS 48 2HB LYS 48 -11.372 -1.193 -8.783 375 HB3 LYS 48 3HB LYS 48 -9.753 -1.688 -8.312 376 HG2 LYS 48 2HG LYS 48 -10.662 -3.144 -6.561 377 HG3 LYS 48 3HG LYS 48 -12.300 -2.596 -6.919 378 HD2 LYS 48 2HD LYS 48 -10.477 -4.174 -8.787 379 HD3 LYS 48 3HD LYS 48 -11.873 -4.806 -7.915 380 HE2 LYS 48 2HE LYS 48 -13.320 -3.189 -9.199 381 HE3 LYS 48 3HE LYS 48 -11.901 -2.751 -10.149 382 HZ1 LYS 48 1HZ LYS 48 -13.158 -5.433 -9.991 383 HZ2 LYS 48 2HZ LYS 48 -11.736 -5.087 -10.833 384 HZ3 LYS 48 3HZ LYS 48 -13.192 -4.382 -11.311 385 H MET 49 H MET 49 -11.564 -0.650 -4.605 386 HA MET 49 HA MET 49 -14.266 0.444 -5.062 387 HB2 MET 49 2HB MET 49 -14.904 -0.714 -2.968 388 HB3 MET 49 3HB MET 49 -14.234 -1.834 -4.140 389 HG2 MET 49 2HG MET 49 -12.131 -1.922 -2.903 390 HG3 MET 49 3HG MET 49 -12.720 -0.710 -1.768 391 HE1 MET 49 1HE MET 49 -14.392 -5.017 -2.075 392 HE2 MET 49 2HE MET 49 -13.027 -4.435 -3.029 393 HE3 MET 49 3HE MET 49 -14.652 -3.821 -3.345 394 H LYS 50 H LYS 50 -11.589 1.865 -4.579 395 HA LYS 50 HA LYS 50 -10.771 3.729 -3.661 396 HB2 LYS 50 2HB LYS 50 -13.686 4.264 -2.976 397 HB3 LYS 50 3HB LYS 50 -12.412 5.450 -2.738 398 HG2 LYS 50 2HG LYS 50 -13.286 4.279 -5.402 399 HG3 LYS 50 3HG LYS 50 -13.626 5.905 -4.799 400 HD2 LYS 50 2HD LYS 50 -11.142 6.344 -4.751 401 HD3 LYS 50 3HD LYS 50 -10.893 4.770 -5.512 402 HE2 LYS 50 2HE LYS 50 -12.396 7.130 -6.694 403 HE3 LYS 50 3HE LYS 50 -10.814 6.538 -7.192 404 HZ1 LYS 50 1HZ LYS 50 -11.884 4.452 -7.877 405 HZ2 LYS 50 2HZ LYS 50 -12.502 5.785 -8.710 406 HZ3 LYS 50 3HZ LYS 50 -13.392 5.086 -7.458 407 H LYS 51 H LYS 51 -11.416 1.247 -1.768 408 HA LYS 51 HA LYS 51 -11.616 2.436 0.849 409 HB2 LYS 51 2HB LYS 51 -12.427 0.079 0.147 410 HB3 LYS 51 3HB LYS 51 -10.754 -0.439 0.233 411 HG2 LYS 51 2HG LYS 51 -12.243 0.755 2.601 412 HG3 LYS 51 3HG LYS 51 -12.230 -0.973 2.252 413 HD2 LYS 51 2HD LYS 51 -9.812 -1.064 2.560 414 HD3 LYS 51 3HD LYS 51 -9.733 0.688 2.751 415 HE2 LYS 51 2HE LYS 51 -9.560 -0.334 4.931 416 HE3 LYS 51 3HE LYS 51 -11.124 0.470 4.825 417 HZ1 LYS 51 1HZ LYS 51 -12.185 -1.632 4.479 418 HZ2 LYS 51 2HZ LYS 51 -11.202 -1.756 5.847 419 HZ3 LYS 51 3HZ LYS 51 -10.704 -2.434 4.384 420 H VAL 52 H VAL 52 -10.030 3.141 2.081 421 HA VAL 52 HA VAL 52 -7.288 3.262 1.125 422 HB VAL 52 HB VAL 52 -8.621 4.527 3.568 423 HG11 VAL 52 1HG1 VAL 52 -6.583 5.935 3.739 424 HG12 VAL 52 2HG1 VAL 52 -5.845 4.992 2.445 425 HG13 VAL 52 3HG1 VAL 52 -6.221 4.220 3.983 426 HG21 VAL 52 1HG2 VAL 52 -9.487 5.440 1.454 427 HG22 VAL 52 2HG2 VAL 52 -7.842 5.756 0.897 428 HG23 VAL 52 3HG2 VAL 52 -8.491 6.640 2.280 429 H ILE 53 H ILE 53 -5.880 1.737 1.684 430 HA ILE 53 HA ILE 53 -5.892 0.588 4.418 431 HB ILE 53 HB ILE 53 -4.865 -1.528 3.427 432 HG12 ILE 53 2HG1 ILE 53 -5.946 -0.473 0.770 433 HG13 ILE 53 3HG1 ILE 53 -4.242 -0.534 1.199 434 HG21 ILE 53 1HG2 ILE 53 -7.725 -0.971 2.575 435 HG22 ILE 53 2HG2 ILE 53 -7.208 -1.498 4.178 436 HG23 ILE 53 3HG2 ILE 53 -6.998 -2.567 2.791 437 HD11 ILE 53 1HD1 ILE 53 -4.791 -2.348 -0.245 438 HD12 ILE 53 2HD1 ILE 53 -6.093 -2.875 0.821 439 HD13 ILE 53 3HD1 ILE 53 -4.412 -2.978 1.358 440 H CYS 54 H CYS 54 -3.830 0.422 5.349 441 HA CYS 54 HA CYS 54 -1.577 1.580 3.791 442 HB2 CYS 54 2HB CYS 54 -2.065 1.820 6.787 443 HB3 CYS 54 3HB CYS 54 -0.743 2.555 5.882 444 H VAL 55 H VAL 55 0.352 0.501 3.854 445 HA VAL 55 HA VAL 55 0.671 -1.733 5.788 446 HB VAL 55 HB VAL 55 1.977 -3.038 4.182 447 HG11 VAL 55 1HG1 VAL 55 -0.690 -2.278 2.948 448 HG12 VAL 55 2HG1 VAL 55 -0.455 -3.418 4.276 449 HG13 VAL 55 3HG1 VAL 55 0.206 -3.778 2.686 450 HG21 VAL 55 1HG2 VAL 55 2.929 -1.229 2.814 451 HG22 VAL 55 2HG2 VAL 55 1.348 -0.912 2.100 452 HG23 VAL 55 3HG2 VAL 55 2.161 -2.451 1.799 453 H ASN 56 H ASN 56 2.853 -2.189 6.363 454 HA ASN 56 HA ASN 56 4.508 0.119 6.780 455 HB2 ASN 56 2HB ASN 56 4.984 -2.843 7.324 456 HB3 ASN 56 3HB ASN 56 6.018 -1.545 7.907 457 HD21 ASN 56 1HD2 ASN 56 3.876 0.290 8.638 458 HD22 ASN 56 2HD2 ASN 56 3.095 -0.389 10.018 459 HA PRO 57 HA PRO 57 6.946 -0.063 3.016 460 HB2 PRO 57 2HB PRO 57 9.433 0.808 3.910 461 HB3 PRO 57 3HB PRO 57 8.041 1.880 3.646 462 HG2 PRO 57 2HG PRO 57 8.994 0.651 6.219 463 HG3 PRO 57 3HG PRO 57 8.492 2.328 5.894 464 HD2 PRO 57 2HD PRO 57 6.806 0.608 7.067 465 HD3 PRO 57 3HD PRO 57 6.209 1.784 5.874 466 H ARG 58 H ARG 58 8.006 -1.865 5.823 467 HA ARG 58 HA ARG 58 9.754 -3.616 4.191 468 HB2 ARG 58 2HB ARG 58 9.614 -3.337 7.224 469 HB3 ARG 58 3HB ARG 58 10.785 -4.292 6.325 470 HG2 ARG 58 2HG ARG 58 10.558 -1.267 6.141 471 HG3 ARG 58 3HG ARG 58 11.665 -2.111 7.218 472 HD2 ARG 58 2HD ARG 58 12.918 -1.416 5.303 473 HD3 ARG 58 3HD ARG 58 12.723 -3.165 5.186 474 HE ARG 58 HE ARG 58 10.666 -1.930 3.743 475 HH11 ARG 58 1HH1 ARG 58 14.151 -2.259 3.493 476 HH12 ARG 58 2HH1 ARG 58 14.156 -2.131 1.760 477 HH21 ARG 58 1HH2 ARG 58 10.649 -1.868 1.492 478 HH22 ARG 58 2HH2 ARG 58 12.152 -1.908 0.622 479 H ALA 59 H ALA 59 6.689 -3.642 4.518 480 HA ALA 59 HA ALA 59 6.038 -6.199 5.634 481 HB1 ALA 59 1HB ALA 59 4.556 -4.536 3.559 482 HB2 ALA 59 2HB ALA 59 4.295 -4.508 5.298 483 HB3 ALA 59 3HB ALA 59 3.902 -5.960 4.373 484 H LYS 60 H LYS 60 5.995 -8.215 4.636 485 HA LYS 60 HA LYS 60 8.055 -8.649 2.730 486 HB2 LYS 60 2HB LYS 60 5.995 -10.700 3.621 487 HB3 LYS 60 3HB LYS 60 7.602 -11.023 2.995 488 HG2 LYS 60 2HG LYS 60 6.915 -9.815 5.694 489 HG3 LYS 60 3HG LYS 60 7.496 -11.447 5.393 490 HD2 LYS 60 2HD LYS 60 9.057 -8.857 5.081 491 HD3 LYS 60 3HD LYS 60 9.303 -10.120 6.273 492 HE2 LYS 60 2HE LYS 60 10.064 -11.675 4.571 493 HE3 LYS 60 3HE LYS 60 9.696 -10.510 3.294 494 HZ1 LYS 60 1HZ LYS 60 11.724 -10.160 5.437 495 HZ2 LYS 60 2HZ LYS 60 11.351 -9.022 4.244 496 HZ3 LYS 60 3HZ LYS 60 12.033 -10.499 3.810 497 H TRP 61 H TRP 61 4.523 -8.754 2.485 498 HA TRP 61 HA TRP 61 4.423 -9.813 -0.161 499 HB2 TRP 61 2HB TRP 61 2.092 -9.664 0.014 500 HB3 TRP 61 3HB TRP 61 2.545 -9.697 1.711 501 HD1 TRP 61 HD1 TRP 61 2.658 -7.074 2.894 502 HE1 TRP 61 HE1 TRP 61 1.101 -5.084 2.468 503 HE3 TRP 61 HE3 TRP 61 0.519 -8.622 -1.491 504 HZ2 TRP 61 HZ2 TRP 61 -0.790 -4.269 0.539 505 HZ3 TRP 61 HZ3 TRP 61 -1.167 -7.175 -2.558 506 HH2 TRP 61 HH2 TRP 61 -1.804 -5.040 -1.559 507 H LEU 62 H LEU 62 4.775 -6.585 1.173 508 HA LEU 62 HA LEU 62 4.087 -5.079 -1.140 509 HB2 LEU 62 2HB LEU 62 4.086 -4.038 1.072 510 HB3 LEU 62 3HB LEU 62 5.807 -4.355 1.254 511 HG LEU 62 HG LEU 62 6.197 -2.804 -0.751 512 HD11 LEU 62 1HD1 LEU 62 3.308 -2.015 -0.324 513 HD12 LEU 62 2HD1 LEU 62 3.980 -2.816 -1.736 514 HD13 LEU 62 3HD1 LEU 62 4.481 -1.181 -1.347 515 HD21 LEU 62 1HD2 LEU 62 6.042 -0.750 0.524 516 HD22 LEU 62 2HD2 LEU 62 6.656 -2.064 1.520 517 HD23 LEU 62 3HD2 LEU 62 4.985 -1.528 1.704 518 H GLN 63 H GLN 63 7.120 -6.505 0.044 519 HA GLN 63 HA GLN 63 8.951 -5.368 -1.746 520 HB2 GLN 63 2HB GLN 63 8.927 -8.180 -0.568 521 HB3 GLN 63 3HB GLN 63 10.312 -7.464 -1.385 522 HG2 GLN 63 2HG GLN 63 9.055 -6.466 1.189 523 HG3 GLN 63 3HG GLN 63 10.559 -7.370 1.052 524 HE21 GLN 63 1HE2 GLN 63 12.382 -6.328 0.100 525 HE22 GLN 63 2HE2 GLN 63 12.500 -4.609 0.036 526 H ARG 64 H ARG 64 6.626 -7.942 -2.193 527 HA ARG 64 HA ARG 64 7.446 -8.882 -4.753 528 HB2 ARG 64 2HB ARG 64 4.691 -8.943 -3.449 529 HB3 ARG 64 3HB ARG 64 5.114 -9.812 -4.919 530 HG2 ARG 64 2HG ARG 64 6.670 -11.214 -3.723 531 HG3 ARG 64 3HG ARG 64 6.472 -10.276 -2.248 532 HD2 ARG 64 2HD ARG 64 4.091 -10.984 -2.141 533 HD3 ARG 64 3HD ARG 64 4.345 -11.977 -3.587 534 HE ARG 64 HE ARG 64 6.262 -12.923 -2.010 535 HH11 ARG 64 1HH1 ARG 64 2.885 -12.298 -1.216 536 HH12 ARG 64 2HH1 ARG 64 2.818 -13.549 -0.015 537 HH21 ARG 64 1HH2 ARG 64 6.155 -14.553 -0.442 538 HH22 ARG 64 2HH2 ARG 64 4.679 -14.831 0.423 539 H LEU 65 H LEU 65 5.149 -6.416 -3.642 540 HA LEU 65 HA LEU 65 4.066 -5.709 -6.170 541 HB2 LEU 65 2HB LEU 65 4.107 -4.409 -3.453 542 HB3 LEU 65 3HB LEU 65 3.559 -3.455 -4.807 543 HG LEU 65 HG LEU 65 1.693 -4.443 -3.480 544 HD11 LEU 65 1HD1 LEU 65 1.708 -5.561 -6.297 545 HD12 LEU 65 2HD1 LEU 65 1.372 -3.883 -5.882 546 HD13 LEU 65 3HD1 LEU 65 0.308 -5.159 -5.300 547 HD21 LEU 65 1HD2 LEU 65 2.701 -7.138 -4.444 548 HD22 LEU 65 2HD2 LEU 65 1.177 -6.837 -3.611 549 HD23 LEU 65 3HD2 LEU 65 2.695 -6.545 -2.779 550 H LEU 66 H LEU 66 6.761 -4.416 -4.267 551 HA LEU 66 HA LEU 66 7.356 -2.155 -5.854 552 HB2 LEU 66 2HB LEU 66 9.190 -3.764 -4.024 553 HB3 LEU 66 3HB LEU 66 9.573 -2.182 -4.683 554 HG LEU 66 HG LEU 66 7.340 -2.790 -2.697 555 HD11 LEU 66 1HD1 LEU 66 9.548 -2.914 -1.660 556 HD12 LEU 66 2HD1 LEU 66 8.661 -1.510 -1.079 557 HD13 LEU 66 3HD1 LEU 66 9.952 -1.305 -2.268 558 HD21 LEU 66 1HD2 LEU 66 6.627 -0.966 -4.135 559 HD22 LEU 66 2HD2 LEU 66 8.152 -0.116 -3.886 560 HD23 LEU 66 3HD2 LEU 66 7.032 -0.334 -2.540 561 H ARG 67 H ARG 67 8.772 -5.450 -5.796 562 HA ARG 67 HA ARG 67 10.585 -4.979 -7.983 563 HB2 ARG 67 2HB ARG 67 9.635 -7.548 -6.653 564 HB3 ARG 67 3HB ARG 67 10.881 -7.504 -7.899 565 HG2 ARG 67 2HG ARG 67 12.342 -6.171 -6.462 566 HG3 ARG 67 3HG ARG 67 11.080 -6.061 -5.232 567 HD2 ARG 67 2HD ARG 67 12.428 -8.630 -6.137 568 HD3 ARG 67 3HD ARG 67 12.792 -7.744 -4.652 569 HE ARG 67 HE ARG 67 10.016 -8.422 -4.849 570 HH11 ARG 67 1HH1 ARG 67 13.141 -9.794 -3.954 571 HH12 ARG 67 2HH1 ARG 67 12.447 -10.982 -2.906 572 HH21 ARG 67 1HH2 ARG 67 9.135 -9.993 -3.493 573 HH22 ARG 67 2HH2 ARG 67 10.168 -11.092 -2.645 574 H HIS 68 H HIS 68 7.256 -6.016 -7.822 575 HA HIS 68 HA HIS 68 7.127 -7.287 -10.410 576 HB2 HIS 68 2HB HIS 68 5.608 -7.894 -8.529 577 HB3 HIS 68 3HB HIS 68 4.891 -6.294 -8.592 578 HD1 HIS 68 HD1 HIS 68 2.569 -6.976 -9.184 579 HD2 HIS 68 HD2 HIS 68 5.364 -8.623 -11.764 580 HE1 HIS 68 HE1 HIS 68 1.232 -8.070 -10.998 581 HE2 HIS 68 HE2 HIS 68 2.952 -8.995 -12.583 582 H VAL 69 H VAL 69 6.237 -4.091 -9.104 583 HA VAL 69 HA VAL 69 5.220 -3.118 -11.651 584 HB VAL 69 HB VAL 69 4.857 -0.953 -10.589 585 HG11 VAL 69 1HG1 VAL 69 3.268 -1.578 -8.810 586 HG12 VAL 69 2HG1 VAL 69 3.974 -3.192 -8.730 587 HG13 VAL 69 3HG1 VAL 69 3.149 -2.664 -10.198 588 HG21 VAL 69 1HG2 VAL 69 5.439 -0.467 -8.233 589 HG22 VAL 69 2HG2 VAL 69 6.880 -0.749 -9.208 590 HG23 VAL 69 3HG2 VAL 69 6.298 -2.005 -8.119 591 H GLN 70 H GLN 70 8.245 -3.051 -9.897 592 HA GLN 70 HA GLN 70 9.535 -1.107 -11.633 593 HB2 GLN 70 2HB GLN 70 10.217 -1.288 -9.278 594 HB3 GLN 70 3HB GLN 70 10.683 -2.968 -9.504 595 HG2 GLN 70 2HG GLN 70 12.631 -1.431 -9.418 596 HG3 GLN 70 3HG GLN 70 12.535 -2.318 -10.938 597 HE21 GLN 70 1HE2 GLN 70 13.784 -0.819 -12.047 598 HE22 GLN 70 2HE2 GLN 70 13.209 0.754 -12.478 599 H SER 71 H SER 71 11.207 -1.563 -13.099 600 HA SER 71 HA SER 71 12.247 -2.528 -14.831 601 HB2 SER 71 2HB SER 71 11.607 -5.248 -13.608 602 HB3 SER 71 3HB SER 71 12.835 -4.903 -14.830 603 HG SER 71 HG SER 71 12.787 -4.019 -12.131 604 H LYS 72 H LYS 72 9.228 -2.150 -14.544 605 HA LYS 72 HA LYS 72 8.327 -3.742 -16.872 606 HB2 LYS 72 2HB LYS 72 7.012 -4.030 -14.774 607 HB3 LYS 72 3HB LYS 72 6.661 -2.303 -14.763 608 HG2 LYS 72 2HG LYS 72 5.464 -2.576 -16.951 609 HG3 LYS 72 3HG LYS 72 5.761 -4.315 -16.864 610 HD2 LYS 72 2HD LYS 72 4.116 -2.675 -14.892 611 HD3 LYS 72 3HD LYS 72 3.480 -3.787 -16.104 612 HE2 LYS 72 2HE LYS 72 4.540 -5.681 -14.963 613 HE3 LYS 72 3HE LYS 72 5.269 -4.588 -13.783 614 HZ1 LYS 72 1HZ LYS 72 2.998 -3.946 -13.115 615 HZ2 LYS 72 2HZ LYS 72 3.322 -5.582 -12.852 616 HZ3 LYS 72 3HZ LYS 72 2.373 -5.114 -14.166 617 H SER 73 H SER 73 8.882 -2.536 -18.609 618 HA SER 73 HA SER 73 8.517 0.355 -18.715 619 HB2 SER 73 2HB SER 73 10.528 -0.745 -19.729 620 HB3 SER 73 3HB SER 73 9.483 -1.600 -20.861 621 HG SER 73 HG SER 73 10.466 0.911 -20.991 622 H LEU 74 H LEU 74 6.142 -0.211 -18.191 623 HA LEU 74 HA LEU 74 4.471 -1.077 -20.413 624 HB2 LEU 74 2HB LEU 74 4.089 -1.607 -17.923 625 HB3 LEU 74 3HB LEU 74 3.634 0.064 -17.700 626 HG LEU 74 HG LEU 74 1.699 -1.522 -17.790 627 HD11 LEU 74 1HD1 LEU 74 1.280 0.813 -18.341 628 HD12 LEU 74 2HD1 LEU 74 0.226 -0.259 -19.257 629 HD13 LEU 74 3HD1 LEU 74 1.617 0.494 -20.044 630 HD21 LEU 74 1HD2 LEU 74 0.996 -2.597 -19.837 631 HD22 LEU 74 2HD2 LEU 74 2.626 -3.121 -19.428 632 HD23 LEU 74 3HD2 LEU 74 2.378 -1.941 -20.716 633 H SER 75 H SER 75 4.115 0.374 -22.026 634 HA SER 75 HA SER 75 4.301 3.226 -21.675 635 HB2 SER 75 2HB SER 75 3.302 1.669 -24.099 636 HB3 SER 75 3HB SER 75 3.834 3.350 -24.069 637 HG SER 75 HG SER 75 5.704 1.626 -23.062 638 H SER 76 H SER 76 2.684 3.486 -20.031 639 HA SER 76 HA SER 76 -0.116 3.064 -20.613 640 HB2 SER 76 2HB SER 76 0.737 2.876 -18.294 641 HB3 SER 76 3HB SER 76 1.209 4.572 -18.322 642 HG SER 76 HG SER 76 -0.909 3.981 -17.353 643 H THR 77 H THR 77 -1.232 4.411 -21.879 644 HA THR 77 HA THR 77 -0.176 7.055 -22.585 645 HB THR 77 HB THR 77 -1.846 6.888 -24.475 646 HG1 THR 77 HG1 THR 77 -2.794 4.865 -22.968 647 HG21 THR 77 1HG2 THR 77 0.067 4.531 -24.220 648 HG22 THR 77 2HG2 THR 77 0.464 6.128 -24.860 649 HG23 THR 77 3HG2 THR 77 -0.670 5.090 -25.725 650 HA PRO 78 HA PRO 78 -3.380 8.991 -20.052 651 HB2 PRO 78 2HB PRO 78 -3.155 11.580 -20.858 652 HB3 PRO 78 3HB PRO 78 -1.860 10.779 -19.939 653 HG2 PRO 78 2HG PRO 78 -2.056 11.208 -22.913 654 HG3 PRO 78 3HG PRO 78 -0.680 11.511 -21.827 655 HD2 PRO 78 2HD PRO 78 -0.864 9.243 -23.324 656 HD3 PRO 78 3HD PRO 78 -0.082 9.263 -21.728 657 H GLN 79 H GLN 79 -5.314 10.430 -20.298 658 HA GLN 79 HA GLN 79 -6.820 9.819 -22.783 659 HB2 GLN 79 2HB GLN 79 -8.822 9.517 -21.439 660 HB3 GLN 79 3HB GLN 79 -7.564 8.464 -20.822 661 HG2 GLN 79 2HG GLN 79 -8.371 11.099 -19.551 662 HG3 GLN 79 3HG GLN 79 -8.975 9.525 -19.051 663 HE21 GLN 79 1HE2 GLN 79 -7.577 8.127 -17.918 664 HE22 GLN 79 2HE2 GLN 79 -6.108 8.677 -17.198 665 H ALA 80 H ALA 80 -8.218 11.424 -23.552 666 HA ALA 80 HA ALA 80 -7.464 14.148 -23.075 667 HB1 ALA 80 1HB ALA 80 -8.045 13.343 -25.314 668 HB2 ALA 80 2HB ALA 80 -9.119 14.659 -24.839 669 HB3 ALA 80 3HB ALA 80 -9.691 12.988 -24.785 670 HA PRO 81 HA PRO 81 -10.793 14.629 -19.918 671 HB2 PRO 81 2HB PRO 81 -9.861 16.885 -18.709 672 HB3 PRO 81 3HB PRO 81 -9.119 15.295 -18.431 673 HG2 PRO 81 2HG PRO 81 -8.183 17.520 -20.211 674 HG3 PRO 81 3HG PRO 81 -7.236 16.469 -19.131 675 HD2 PRO 81 2HD PRO 81 -7.457 16.067 -21.862 676 HD3 PRO 81 3HD PRO 81 -7.092 14.776 -20.700 677 H VAL 82 H VAL 82 -12.605 15.945 -19.761 678 HA VAL 82 HA VAL 82 -14.392 16.916 -20.696 679 HB VAL 82 HB VAL 82 -13.630 18.611 -19.169 680 HG11 VAL 82 1HG1 VAL 82 -12.312 20.597 -19.801 681 HG12 VAL 82 2HG1 VAL 82 -12.032 19.896 -21.398 682 HG13 VAL 82 3HG1 VAL 82 -11.381 19.102 -19.966 683 HG21 VAL 82 1HG2 VAL 82 -15.663 19.095 -20.442 684 HG22 VAL 82 2HG2 VAL 82 -14.716 19.897 -21.694 685 HG23 VAL 82 3HG2 VAL 82 -14.794 20.591 -20.073 686 H SER 83 H SER 83 -14.489 15.840 -22.666 687 HA SER 83 HA SER 83 -13.595 17.115 -25.138 688 HB2 SER 83 2HB SER 83 -13.544 14.656 -24.961 689 HB3 SER 83 3HB SER 83 -15.268 14.608 -24.613 690 HG SER 83 HG SER 83 -15.119 14.191 -26.739 691 H LYS 84 H LYS 84 -14.723 19.049 -25.393 692 HA LYS 84 HA LYS 84 -17.552 19.078 -25.916 693 HB2 LYS 84 2HB LYS 84 -17.573 18.960 -23.436 694 HB3 LYS 84 3HB LYS 84 -16.539 20.381 -23.338 695 HG2 LYS 84 2HG LYS 84 -18.384 21.713 -24.428 696 HG3 LYS 84 3HG LYS 84 -19.414 20.279 -24.336 697 HD2 LYS 84 2HD LYS 84 -18.155 21.728 -21.972 698 HD3 LYS 84 3HD LYS 84 -19.848 21.831 -22.458 699 HE2 LYS 84 2HE LYS 84 -20.131 19.421 -21.985 700 HE3 LYS 84 3HE LYS 84 -18.435 19.312 -21.505 701 HZ1 LYS 84 1HZ LYS 84 -18.890 20.887 -19.725 702 HZ2 LYS 84 2HZ LYS 84 -19.866 19.520 -19.585 703 HZ3 LYS 84 3HZ LYS 84 -20.515 20.965 -20.174 704 H ARG 85 H ARG 85 -18.247 20.997 -26.835 705 HA ARG 85 HA ARG 85 -16.487 23.375 -26.943 706 HB2 ARG 85 2HB ARG 85 -17.070 23.716 -29.357 707 HB3 ARG 85 3HB ARG 85 -16.105 22.270 -29.102 708 HG2 ARG 85 2HG ARG 85 -18.044 20.838 -29.399 709 HG3 ARG 85 3HG ARG 85 -19.128 22.229 -29.453 710 HD2 ARG 85 2HD ARG 85 -16.948 21.660 -31.496 711 HD3 ARG 85 3HD ARG 85 -18.646 21.216 -31.688 712 HE ARG 85 HE ARG 85 -17.956 24.039 -31.244 713 HH11 ARG 85 1HH1 ARG 85 -19.113 21.578 -33.509 714 HH12 ARG 85 2HH1 ARG 85 -19.695 22.747 -34.654 715 HH21 ARG 85 1HH2 ARG 85 -18.723 25.539 -32.751 716 HH22 ARG 85 2HH2 ARG 85 -19.472 24.995 -34.221 717 H ARG 86 H ARG 86 -17.698 25.360 -27.349 718 HA ARG 86 HA ARG 86 -20.425 25.340 -26.356 719 HB2 ARG 86 2HB ARG 86 -18.801 27.166 -25.756 720 HB3 ARG 86 3HB ARG 86 -18.805 27.693 -27.434 721 HG2 ARG 86 2HG ARG 86 -21.297 28.119 -27.208 722 HG3 ARG 86 3HG ARG 86 -21.144 27.766 -25.485 723 HD2 ARG 86 2HD ARG 86 -21.106 30.182 -25.864 724 HD3 ARG 86 3HD ARG 86 -19.535 29.644 -25.258 725 HE ARG 86 HE ARG 86 -19.511 29.640 -28.075 726 HH11 ARG 86 1HH1 ARG 86 -19.494 31.976 -25.425 727 HH12 ARG 86 2HH1 ARG 86 -18.673 33.191 -26.356 728 HH21 ARG 86 1HH2 ARG 86 -18.441 31.215 -29.260 729 HH22 ARG 86 2HH2 ARG 86 -18.076 32.756 -28.543 730 H ALA 87 H ALA 87 -21.530 24.169 -27.901 731 HA ALA 87 HA ALA 87 -21.524 24.928 -30.719 732 HB1 ALA 87 1HB ALA 87 -22.986 22.963 -31.008 733 HB2 ALA 87 2HB ALA 87 -23.074 22.752 -29.257 734 HB3 ALA 87 3HB ALA 87 -21.535 22.547 -30.095 735 H ALA 88 H ALA 88 -22.267 27.120 -29.962 736 HA ALA 88 HA ALA 88 -25.101 27.483 -30.371 737 HB1 ALA 88 1HB ALA 88 -23.903 28.297 -27.688 738 HB2 ALA 88 2HB ALA 88 -25.103 27.030 -27.947 739 HB3 ALA 88 3HB ALA 88 -25.523 28.713 -28.263 Start of MODEL 14 1 H1 ILE 1 1H ILE 1 -23.592 17.545 20.947 2 H2 ILE 1 2H ILE 1 -24.555 16.181 21.174 3 H3 ILE 1 3H ILE 1 -24.963 17.312 19.988 4 HA ILE 1 HA ILE 1 -22.543 15.631 20.018 5 HB ILE 1 HB ILE 1 -25.114 15.413 18.380 6 HG12 ILE 1 2HG1 ILE 1 -24.901 12.942 19.029 7 HG13 ILE 1 3HG1 ILE 1 -23.576 13.404 20.087 8 HG21 ILE 1 1HG2 ILE 1 -22.462 14.082 17.700 9 HG22 ILE 1 2HG2 ILE 1 -23.290 15.308 16.737 10 HG23 ILE 1 3HG2 ILE 1 -24.008 13.707 16.933 11 HD11 ILE 1 1HD1 ILE 1 -25.121 14.768 21.408 12 HD12 ILE 1 2HD1 ILE 1 -25.638 13.084 21.311 13 HD13 ILE 1 3HD1 ILE 1 -26.440 14.310 20.329 14 H LEU 2 H LEU 2 -21.005 16.158 18.529 15 HA LEU 2 HA LEU 2 -21.462 18.233 16.521 16 HB2 LEU 2 2HB LEU 2 -19.476 19.520 17.126 17 HB3 LEU 2 3HB LEU 2 -20.631 19.536 18.439 18 HG LEU 2 HG LEU 2 -18.232 17.659 18.495 19 HD11 LEU 2 1HD1 LEU 2 -18.274 20.524 19.516 20 HD12 LEU 2 2HD1 LEU 2 -17.327 19.915 18.156 21 HD13 LEU 2 3HD1 LEU 2 -16.986 19.345 19.787 22 HD21 LEU 2 1HD2 LEU 2 -18.524 17.759 20.929 23 HD22 LEU 2 2HD2 LEU 2 -20.005 17.213 20.154 24 HD23 LEU 2 3HD2 LEU 2 -19.883 18.869 20.744 25 H GLU 3 H GLU 3 -19.744 18.276 14.930 26 HA GLU 3 HA GLU 3 -18.610 15.595 14.437 27 HB2 GLU 3 2HB GLU 3 -19.057 17.948 12.540 28 HB3 GLU 3 3HB GLU 3 -18.504 16.340 12.068 29 HG2 GLU 3 2HG GLU 3 -20.638 15.359 12.707 30 HG3 GLU 3 3HG GLU 3 -21.188 16.893 13.373 31 H ALA 4 H ALA 4 -16.411 15.313 14.240 32 HA ALA 4 HA ALA 4 -14.570 17.465 14.892 33 HB1 ALA 4 1HB ALA 4 -14.176 15.197 15.776 34 HB2 ALA 4 2HB ALA 4 -12.831 15.700 14.751 35 HB3 ALA 4 3HB ALA 4 -14.032 14.562 14.135 36 H HIS 5 H HIS 5 -13.979 18.874 13.338 37 HA HIS 5 HA HIS 5 -14.007 18.321 10.527 38 HB2 HIS 5 2HB HIS 5 -14.355 20.624 11.319 39 HB3 HIS 5 3HB HIS 5 -12.761 20.642 12.070 40 HD1 HIS 5 HD1 HIS 5 -11.130 21.912 10.703 41 HD2 HIS 5 HD2 HIS 5 -13.959 20.027 8.303 42 HE1 HIS 5 HE1 HIS 5 -10.526 22.515 8.342 43 HE2 HIS 5 HE2 HIS 5 -12.324 21.474 6.925 44 H TYR 6 H TYR 6 -12.679 16.738 9.878 45 HA TYR 6 HA TYR 6 -10.080 16.244 11.007 46 HB2 TYR 6 2HB TYR 6 -11.395 15.001 8.552 47 HB3 TYR 6 3HB TYR 6 -9.965 14.382 9.380 48 HD1 TYR 6 HD1 TYR 6 -10.282 13.833 11.951 49 HD2 TYR 6 HD2 TYR 6 -13.514 14.125 9.174 50 HE1 TYR 6 HE1 TYR 6 -11.712 12.545 13.484 51 HE2 TYR 6 HE2 TYR 6 -14.942 12.836 10.704 52 HH TYR 6 HH TYR 6 -14.135 12.258 13.936 53 H THR 7 H THR 7 -8.240 17.082 10.388 54 HA THR 7 HA THR 7 -8.001 18.616 7.874 55 HB THR 7 HB THR 7 -6.042 19.685 8.968 56 HG1 THR 7 HG1 THR 7 -6.300 18.944 11.501 57 HG21 THR 7 1HG2 THR 7 -8.260 20.724 9.351 58 HG22 THR 7 2HG2 THR 7 -7.216 20.921 10.757 59 HG23 THR 7 3HG2 THR 7 -8.497 19.708 10.775 60 H ASN 8 H ASN 8 -6.408 18.054 6.379 61 HA ASN 8 HA ASN 8 -5.154 15.408 6.659 62 HB2 ASN 8 2HB ASN 8 -4.685 15.652 4.209 63 HB3 ASN 8 3HB ASN 8 -6.394 15.795 4.600 64 HD21 ASN 8 1HD2 ASN 8 -3.545 17.536 3.537 65 HD22 ASN 8 2HD2 ASN 8 -4.379 18.937 2.953 66 H LEU 9 H LEU 9 -4.085 17.261 8.371 67 HA LEU 9 HA LEU 9 -1.876 18.766 7.500 68 HB2 LEU 9 2HB LEU 9 -3.023 19.052 9.695 69 HB3 LEU 9 3HB LEU 9 -2.382 17.525 10.252 70 HG LEU 9 HG LEU 9 -0.451 19.754 9.473 71 HD11 LEU 9 1HD1 LEU 9 -0.470 20.650 11.754 72 HD12 LEU 9 2HD1 LEU 9 -1.779 19.551 12.197 73 HD13 LEU 9 3HD1 LEU 9 -2.060 20.821 11.006 74 HD21 LEU 9 1HD2 LEU 9 1.005 18.736 11.181 75 HD22 LEU 9 2HD2 LEU 9 0.526 17.548 9.973 76 HD23 LEU 9 3HD2 LEU 9 -0.247 17.548 11.559 77 H LYS 10 H LYS 10 -2.190 15.383 8.447 78 HA LYS 10 HA LYS 10 0.652 14.882 7.800 79 HB2 LYS 10 2HB LYS 10 0.882 13.458 9.761 80 HB3 LYS 10 3HB LYS 10 0.427 15.086 10.242 81 HG2 LYS 10 2HG LYS 10 -1.898 14.342 10.614 82 HG3 LYS 10 3HG LYS 10 -1.461 12.704 10.115 83 HD2 LYS 10 2HD LYS 10 -0.328 14.199 12.519 84 HD3 LYS 10 3HD LYS 10 -1.527 12.905 12.585 85 HE2 LYS 10 2HE LYS 10 0.077 11.272 11.823 86 HE3 LYS 10 3HE LYS 10 1.258 12.521 11.423 87 HZ1 LYS 10 1HZ LYS 10 0.304 11.939 14.177 88 HZ2 LYS 10 2HZ LYS 10 1.521 13.028 13.745 89 HZ3 LYS 10 3HZ LYS 10 1.756 11.368 13.523 90 H CYS 11 H CYS 11 1.049 12.425 7.776 91 HA CYS 11 HA CYS 11 -0.476 11.162 5.785 92 HB2 CYS 11 2HB CYS 11 0.911 9.139 6.363 93 HB3 CYS 11 3HB CYS 11 1.864 10.597 6.119 94 H ARG 12 H ARG 12 -2.465 10.286 5.985 95 HA ARG 12 HA ARG 12 -3.603 9.754 8.615 96 HB2 ARG 12 2HB ARG 12 -4.829 11.183 7.035 97 HB3 ARG 12 3HB ARG 12 -4.898 9.873 5.861 98 HG2 ARG 12 2HG ARG 12 -6.415 8.603 7.241 99 HG3 ARG 12 3HG ARG 12 -6.145 9.669 8.622 100 HD2 ARG 12 2HD ARG 12 -7.493 10.490 6.025 101 HD3 ARG 12 3HD ARG 12 -8.331 10.074 7.525 102 HE ARG 12 HE ARG 12 -6.551 12.065 8.213 103 HH11 ARG 12 1HH1 ARG 12 -9.258 11.850 5.946 104 HH12 ARG 12 2HH1 ARG 12 -9.628 13.543 6.065 105 HH21 ARG 12 1HH2 ARG 12 -7.078 14.263 8.363 106 HH22 ARG 12 2HH2 ARG 12 -8.396 14.895 7.427 107 H CYS 13 H CYS 13 -3.697 7.797 9.438 108 HA CYS 13 HA CYS 13 -4.121 5.408 7.784 109 HB2 CYS 13 2HB CYS 13 -1.699 5.428 8.033 110 HB3 CYS 13 3HB CYS 13 -1.827 5.744 9.761 111 H SER 14 H SER 14 -5.693 4.208 8.668 112 HA SER 14 HA SER 14 -6.671 4.803 11.369 113 HB2 SER 14 2HB SER 14 -8.276 4.820 9.437 114 HB3 SER 14 3HB SER 14 -7.946 3.111 9.159 115 HG SER 14 HG SER 14 -8.868 2.627 11.123 116 H GLY 15 H GLY 15 -5.375 3.699 12.803 117 HA2 GLY 15 2HA GLY 15 -4.611 1.952 14.090 118 HA3 GLY 15 3HA GLY 15 -5.793 0.935 13.278 119 H VAL 16 H VAL 16 -4.375 -0.849 13.191 120 HA VAL 16 HA VAL 16 -2.373 -0.715 11.008 121 HB VAL 16 HB VAL 16 -2.100 -2.538 13.463 122 HG11 VAL 16 1HG1 VAL 16 -0.205 -2.112 11.111 123 HG12 VAL 16 2HG1 VAL 16 -1.187 -3.547 11.409 124 HG13 VAL 16 3HG1 VAL 16 0.114 -3.126 12.519 125 HG21 VAL 16 1HG2 VAL 16 -0.456 -0.069 12.771 126 HG22 VAL 16 2HG2 VAL 16 -0.125 -1.187 14.099 127 HG23 VAL 16 3HG2 VAL 16 -1.600 -0.218 14.109 128 H ILE 17 H ILE 17 -2.895 -2.089 9.374 129 HA ILE 17 HA ILE 17 -4.776 -4.315 9.906 130 HB ILE 17 HB ILE 17 -5.102 -4.500 7.439 131 HG12 ILE 17 2HG1 ILE 17 -3.535 -1.884 7.173 132 HG13 ILE 17 3HG1 ILE 17 -2.919 -3.461 6.698 133 HG21 ILE 17 1HG2 ILE 17 -6.669 -3.194 8.823 134 HG22 ILE 17 2HG2 ILE 17 -6.557 -2.533 7.195 135 HG23 ILE 17 3HG2 ILE 17 -5.725 -1.730 8.528 136 HD11 ILE 17 1HD1 ILE 17 -5.264 -1.999 5.479 137 HD12 ILE 17 2HD1 ILE 17 -4.748 -3.628 5.038 138 HD13 ILE 17 3HD1 ILE 17 -3.673 -2.259 4.767 139 H SER 18 H SER 18 -3.893 -6.219 10.249 140 HA SER 18 HA SER 18 -1.278 -6.974 9.121 141 HB2 SER 18 2HB SER 18 -1.515 -8.936 10.717 142 HB3 SER 18 3HB SER 18 -1.504 -7.356 11.503 143 HG SER 18 HG SER 18 -3.500 -9.241 11.383 144 H THR 19 H THR 19 -4.297 -6.987 7.993 145 HA THR 19 HA THR 19 -4.622 -9.668 6.996 146 HB THR 19 HB THR 19 -5.999 -7.070 6.144 147 HG1 THR 19 HG1 THR 19 -6.330 -8.771 8.328 148 HG21 THR 19 1HG2 THR 19 -6.930 -9.950 5.794 149 HG22 THR 19 2HG2 THR 19 -6.320 -8.910 4.501 150 HG23 THR 19 3HG2 THR 19 -7.821 -8.503 5.334 151 H VAL 20 H VAL 20 -3.651 -10.476 5.207 152 HA VAL 20 HA VAL 20 -2.072 -8.854 3.409 153 HB VAL 20 HB VAL 20 -2.867 -11.808 3.229 154 HG11 VAL 20 1HG1 VAL 20 -2.450 -10.935 0.962 155 HG12 VAL 20 2HG1 VAL 20 -1.154 -12.027 1.448 156 HG13 VAL 20 3HG1 VAL 20 -0.892 -10.280 1.480 157 HG21 VAL 20 1HG2 VAL 20 -1.354 -11.319 5.113 158 HG22 VAL 20 2HG2 VAL 20 -0.228 -10.510 4.021 159 HG23 VAL 20 3HG2 VAL 20 -0.511 -12.247 3.872 160 H VAL 21 H VAL 21 -3.018 -7.595 2.001 161 HA VAL 21 HA VAL 21 -5.808 -7.857 1.266 162 HB VAL 21 HB VAL 21 -3.789 -5.785 0.289 163 HG11 VAL 21 1HG1 VAL 21 -5.873 -5.877 -1.037 164 HG12 VAL 21 2HG1 VAL 21 -5.733 -4.361 -0.150 165 HG13 VAL 21 3HG1 VAL 21 -6.822 -5.623 0.430 166 HG21 VAL 21 1HG2 VAL 21 -4.513 -4.329 2.121 167 HG22 VAL 21 2HG2 VAL 21 -3.848 -5.822 2.770 168 HG23 VAL 21 3HG2 VAL 21 -5.597 -5.580 2.731 169 H GLY 22 H GLY 22 -6.602 -8.374 -0.750 170 HA2 GLY 22 2HA GLY 22 -5.208 -10.210 -2.340 171 HA3 GLY 22 3HA GLY 22 -6.717 -9.421 -2.774 172 H LEU 23 H LEU 23 -3.736 -9.940 -3.893 173 HA LEU 23 HA LEU 23 -2.704 -7.478 -4.753 174 HB2 LEU 23 2HB LEU 23 -1.652 -9.833 -4.766 175 HB3 LEU 23 3HB LEU 23 -2.473 -10.100 -6.288 176 HG LEU 23 HG LEU 23 -0.442 -7.854 -5.884 177 HD11 LEU 23 1HD1 LEU 23 1.260 -9.292 -6.939 178 HD12 LEU 23 2HD1 LEU 23 0.132 -10.648 -6.943 179 HD13 LEU 23 3HD1 LEU 23 0.699 -9.975 -5.414 180 HD21 LEU 23 1HD2 LEU 23 -0.233 -7.961 -8.366 181 HD22 LEU 23 2HD2 LEU 23 -1.845 -7.501 -7.827 182 HD23 LEU 23 3HD2 LEU 23 -1.542 -9.141 -8.400 183 H ASN 24 H ASN 24 -5.214 -9.550 -6.076 184 HA ASN 24 HA ASN 24 -5.640 -8.284 -8.568 185 HB2 ASN 24 2HB ASN 24 -6.465 -10.566 -7.990 186 HB3 ASN 24 3HB ASN 24 -7.623 -9.862 -6.864 187 HD21 ASN 24 1HD2 ASN 24 -9.420 -8.704 -7.730 188 HD22 ASN 24 2HD2 ASN 24 -9.915 -8.912 -9.370 189 H ILE 25 H ILE 25 -6.851 -7.547 -5.280 190 HA ILE 25 HA ILE 25 -8.705 -5.535 -6.378 191 HB ILE 25 HB ILE 25 -9.698 -5.261 -4.200 192 HG12 ILE 25 2HG1 ILE 25 -7.626 -7.207 -3.078 193 HG13 ILE 25 3HG1 ILE 25 -7.648 -5.473 -2.792 194 HG21 ILE 25 1HG2 ILE 25 -10.640 -7.510 -3.845 195 HG22 ILE 25 2HG2 ILE 25 -9.328 -8.219 -4.788 196 HG23 ILE 25 3HG2 ILE 25 -10.490 -7.145 -5.568 197 HD11 ILE 25 1HD1 ILE 25 -8.515 -6.626 -0.878 198 HD12 ILE 25 2HD1 ILE 25 -9.711 -7.468 -1.862 199 HD13 ILE 25 3HD1 ILE 25 -9.819 -5.719 -1.640 200 H ILE 26 H ILE 26 -5.492 -5.503 -5.683 201 HA ILE 26 HA ILE 26 -5.313 -2.782 -4.676 202 HB ILE 26 HB ILE 26 -3.151 -4.351 -6.176 203 HG12 ILE 26 2HG1 ILE 26 -3.814 -5.624 -4.151 204 HG13 ILE 26 3HG1 ILE 26 -2.179 -5.003 -4.009 205 HG21 ILE 26 1HG2 ILE 26 -2.676 -1.964 -6.140 206 HG22 ILE 26 2HG2 ILE 26 -1.564 -2.776 -5.044 207 HG23 ILE 26 3HG2 ILE 26 -2.937 -1.888 -4.398 208 HD11 ILE 26 1HD1 ILE 26 -3.300 -4.833 -1.921 209 HD12 ILE 26 2HD1 ILE 26 -4.644 -3.958 -2.644 210 HD13 ILE 26 3HD1 ILE 26 -3.051 -3.203 -2.550 211 H ASP 27 H ASP 27 -5.427 -0.961 -5.891 212 HA ASP 27 HA ASP 27 -5.610 -1.153 -8.839 213 HB2 ASP 27 2HB ASP 27 -7.537 -0.083 -7.950 214 HB3 ASP 27 3HB ASP 27 -6.603 0.886 -6.821 215 H ARG 28 H ARG 28 -4.206 0.971 -6.315 216 HA ARG 28 HA ARG 28 -1.751 1.281 -7.884 217 HB2 ARG 28 2HB ARG 28 -3.625 3.552 -7.177 218 HB3 ARG 28 3HB ARG 28 -1.899 3.851 -7.294 219 HG2 ARG 28 2HG ARG 28 -1.932 3.074 -9.649 220 HG3 ARG 28 3HG ARG 28 -3.678 2.816 -9.532 221 HD2 ARG 28 2HD ARG 28 -3.024 4.987 -10.625 222 HD3 ARG 28 3HD ARG 28 -4.071 5.184 -9.215 223 HE ARG 28 HE ARG 28 -1.123 5.573 -9.141 224 HH11 ARG 28 1HH1 ARG 28 -4.352 6.604 -8.141 225 HH12 ARG 28 2HH1 ARG 28 -3.761 7.907 -7.161 226 HH21 ARG 28 1HH2 ARG 28 -0.376 7.247 -7.787 227 HH22 ARG 28 2HH2 ARG 28 -1.510 8.264 -6.963 228 H ILE 29 H ILE 29 0.004 2.101 -6.710 229 HA ILE 29 HA ILE 29 -0.126 1.871 -3.752 230 HB ILE 29 HB ILE 29 2.257 1.416 -5.630 231 HG12 ILE 29 2HG1 ILE 29 0.693 -0.699 -4.077 232 HG13 ILE 29 3HG1 ILE 29 0.474 -0.372 -5.790 233 HG21 ILE 29 1HG2 ILE 29 3.450 0.554 -3.644 234 HG22 ILE 29 2HG2 ILE 29 2.063 0.950 -2.630 235 HG23 ILE 29 3HG2 ILE 29 2.970 2.240 -3.423 236 HD11 ILE 29 1HD1 ILE 29 2.800 -1.030 -6.205 237 HD12 ILE 29 2HD1 ILE 29 1.850 -2.313 -5.472 238 HD13 ILE 29 3HD1 ILE 29 2.995 -1.404 -4.491 239 H GLN 30 H GLN 30 -0.133 3.934 -2.931 240 HA GLN 30 HA GLN 30 1.447 6.070 -4.241 241 HB2 GLN 30 2HB GLN 30 -0.970 6.564 -3.861 242 HB3 GLN 30 3HB GLN 30 -0.764 6.277 -2.136 243 HG2 GLN 30 2HG GLN 30 0.761 8.207 -1.980 244 HG3 GLN 30 3HG GLN 30 0.611 8.477 -3.715 245 HE21 GLN 30 1HE2 GLN 30 -0.208 10.552 -3.475 246 HE22 GLN 30 2HE2 GLN 30 -1.783 10.877 -2.846 247 H VAL 31 H VAL 31 3.273 6.758 -3.273 248 HA VAL 31 HA VAL 31 4.026 5.661 -0.632 249 HB VAL 31 HB VAL 31 5.789 6.826 -2.848 250 HG11 VAL 31 1HG1 VAL 31 6.631 5.549 -0.219 251 HG12 VAL 31 2HG1 VAL 31 6.793 7.254 -0.648 252 HG13 VAL 31 3HG1 VAL 31 7.720 6.033 -1.521 253 HG21 VAL 31 1HG2 VAL 31 4.861 4.621 -3.465 254 HG22 VAL 31 2HG2 VAL 31 5.453 3.931 -1.954 255 HG23 VAL 31 3HG2 VAL 31 6.596 4.504 -3.173 256 H THR 32 H THR 32 3.869 7.011 1.043 257 HA THR 32 HA THR 32 3.908 9.930 0.729 258 HB THR 32 HB THR 32 3.349 8.270 3.235 259 HG1 THR 32 HG1 THR 32 1.733 7.767 1.894 260 HG21 THR 32 1HG2 THR 32 3.986 10.641 3.712 261 HG22 THR 32 2HG2 THR 32 2.307 10.310 4.136 262 HG23 THR 32 3HG2 THR 32 2.683 11.187 2.652 263 HA PRO 33 HA PRO 33 8.335 9.479 1.888 264 HB2 PRO 33 2HB PRO 33 8.456 12.425 1.376 265 HB3 PRO 33 3HB PRO 33 9.338 11.109 0.577 266 HG2 PRO 33 2HG PRO 33 7.406 12.443 -0.707 267 HG3 PRO 33 3HG PRO 33 7.632 10.692 -0.952 268 HD2 PRO 33 2HD PRO 33 5.617 12.100 0.815 269 HD3 PRO 33 3HD PRO 33 5.365 10.765 -0.338 270 HA PRO 34 HA PRO 34 8.208 11.129 6.088 271 HB2 PRO 34 2HB PRO 34 10.790 10.871 6.868 272 HB3 PRO 34 3HB PRO 34 9.783 9.448 6.529 273 HG2 PRO 34 2HG PRO 34 11.878 10.719 4.813 274 HG3 PRO 34 3HG PRO 34 11.531 8.996 5.077 275 HD2 PRO 34 2HD PRO 34 10.657 10.455 2.868 276 HD3 PRO 34 3HD PRO 34 9.910 8.948 3.442 277 H GLY 35 H GLY 35 9.153 12.880 7.486 278 HA2 GLY 35 2HA GLY 35 9.921 15.043 7.853 279 HA3 GLY 35 3HA GLY 35 10.470 15.134 6.186 280 H ASN 36 H ASN 36 8.227 14.684 4.727 281 HA ASN 36 HA ASN 36 6.830 17.191 4.940 282 HB2 ASN 36 2HB ASN 36 6.516 14.896 2.949 283 HB3 ASN 36 3HB ASN 36 5.716 16.459 2.805 284 HD21 ASN 36 1HD2 ASN 36 7.591 15.174 0.977 285 HD22 ASN 36 2HD2 ASN 36 8.913 16.271 0.797 286 H GLY 37 H GLY 37 5.804 16.834 7.006 287 HA2 GLY 37 2HA GLY 37 3.797 16.747 8.130 288 HA3 GLY 37 3HA GLY 37 3.054 15.991 6.731 289 H CYS 38 H CYS 38 5.499 13.960 7.120 290 HA CYS 38 HA CYS 38 4.197 12.309 9.193 291 HB2 CYS 38 2HB CYS 38 3.455 11.732 6.790 292 HB3 CYS 38 3HB CYS 38 5.109 11.188 6.509 293 HA PRO 39 HA PRO 39 8.597 11.880 10.233 294 HB2 PRO 39 2HB PRO 39 8.393 10.424 12.497 295 HB3 PRO 39 3HB PRO 39 7.781 12.091 12.428 296 HG2 PRO 39 2HG PRO 39 6.251 9.520 12.255 297 HG3 PRO 39 3HG PRO 39 5.844 11.012 13.130 298 HD2 PRO 39 2HD PRO 39 4.819 10.326 10.631 299 HD3 PRO 39 3HD PRO 39 4.887 11.982 11.267 300 H LYS 40 H LYS 40 6.786 9.584 8.759 301 HA LYS 40 HA LYS 40 8.997 7.671 8.463 302 HB2 LYS 40 2HB LYS 40 7.464 6.777 10.265 303 HB3 LYS 40 3HB LYS 40 6.123 6.853 9.132 304 HG2 LYS 40 2HG LYS 40 6.776 4.579 9.180 305 HG3 LYS 40 3HG LYS 40 7.405 5.216 7.666 306 HD2 LYS 40 2HD LYS 40 9.274 4.064 8.363 307 HD3 LYS 40 3HD LYS 40 9.605 5.599 9.160 308 HE2 LYS 40 2HE LYS 40 8.361 3.139 10.439 309 HE3 LYS 40 3HE LYS 40 10.000 3.732 10.681 310 HZ1 LYS 40 1HZ LYS 40 7.500 5.108 11.503 311 HZ2 LYS 40 2HZ LYS 40 9.052 5.750 11.675 312 HZ3 LYS 40 3HZ LYS 40 8.624 4.352 12.520 313 H THR 41 H THR 41 8.796 6.410 6.477 314 HA THR 41 HA THR 41 7.200 7.533 4.343 315 HB THR 41 HB THR 41 8.871 4.978 4.348 316 HG1 THR 41 HG1 THR 41 9.783 7.331 4.744 317 HG21 THR 41 1HG2 THR 41 7.913 6.714 2.028 318 HG22 THR 41 2HG2 THR 41 7.307 5.105 2.426 319 HG23 THR 41 3HG2 THR 41 8.974 5.313 1.885 320 H GLU 42 H GLU 42 5.110 7.025 4.211 321 HA GLU 42 HA GLU 42 4.033 4.477 5.301 322 HB2 GLU 42 2HB GLU 42 2.686 7.183 4.846 323 HB3 GLU 42 3HB GLU 42 1.841 5.744 5.399 324 HG2 GLU 42 2HG GLU 42 4.085 7.128 6.894 325 HG3 GLU 42 3HG GLU 42 2.368 7.352 7.218 326 H VAL 43 H VAL 43 3.592 3.006 3.696 327 HA VAL 43 HA VAL 43 2.979 3.859 0.982 328 HB VAL 43 HB VAL 43 3.008 1.050 2.193 329 HG11 VAL 43 1HG1 VAL 43 2.637 1.864 -0.720 330 HG12 VAL 43 2HG1 VAL 43 1.418 1.122 0.318 331 HG13 VAL 43 3HG1 VAL 43 2.853 0.211 -0.140 332 HG21 VAL 43 1HG2 VAL 43 4.981 2.398 0.306 333 HG22 VAL 43 2HG2 VAL 43 5.087 0.742 0.912 334 HG23 VAL 43 3HG2 VAL 43 5.242 2.098 2.024 335 H VAL 44 H VAL 44 1.089 4.871 0.882 336 HA VAL 44 HA VAL 44 -1.368 3.831 2.091 337 HB VAL 44 HB VAL 44 -0.827 6.346 0.412 338 HG11 VAL 44 1HG1 VAL 44 -3.050 7.139 1.127 339 HG12 VAL 44 2HG1 VAL 44 -3.339 5.601 1.946 340 HG13 VAL 44 3HG1 VAL 44 -3.171 5.646 0.189 341 HG21 VAL 44 1HG2 VAL 44 0.315 6.428 2.596 342 HG22 VAL 44 2HG2 VAL 44 -1.208 6.099 3.424 343 HG23 VAL 44 3HG2 VAL 44 -1.000 7.606 2.527 344 H ILE 45 H ILE 45 -2.221 2.157 0.934 345 HA ILE 45 HA ILE 45 -1.982 2.085 -1.997 346 HB ILE 45 HB ILE 45 -3.019 -0.019 -0.035 347 HG12 ILE 45 2HG1 ILE 45 -0.417 0.117 -1.629 348 HG13 ILE 45 3HG1 ILE 45 -0.581 0.284 0.114 349 HG21 ILE 45 1HG2 ILE 45 -3.081 -1.580 -1.951 350 HG22 ILE 45 2HG2 ILE 45 -2.653 -0.265 -3.045 351 HG23 ILE 45 3HG2 ILE 45 -4.193 -0.228 -2.183 352 HD11 ILE 45 1HD1 ILE 45 -1.411 -2.070 0.190 353 HD12 ILE 45 2HD1 ILE 45 0.251 -1.870 -0.341 354 HD13 ILE 45 3HD1 ILE 45 -1.008 -2.206 -1.528 355 H TRP 46 H TRP 46 -3.683 2.401 -3.308 356 HA TRP 46 HA TRP 46 -6.400 2.851 -2.226 357 HB2 TRP 46 2HB TRP 46 -5.099 3.639 -4.877 358 HB3 TRP 46 3HB TRP 46 -6.801 3.898 -4.507 359 HD1 TRP 46 HD1 TRP 46 -3.301 5.016 -3.226 360 HE1 TRP 46 HE1 TRP 46 -3.555 7.336 -2.159 361 HE3 TRP 46 HE3 TRP 46 -8.383 5.569 -3.626 362 HZ2 TRP 46 HZ2 TRP 46 -5.600 9.187 -1.617 363 HZ3 TRP 46 HZ3 TRP 46 -9.411 7.662 -2.819 364 HH2 TRP 46 HH2 TRP 46 -8.039 9.432 -1.832 365 H THR 47 H THR 47 -7.698 1.116 -2.399 366 HA THR 47 HA THR 47 -7.097 -1.139 -4.118 367 HB THR 47 HB THR 47 -9.319 -2.020 -3.233 368 HG1 THR 47 HG1 THR 47 -9.324 0.080 -1.369 369 HG21 THR 47 1HG2 THR 47 -7.360 -1.066 -1.106 370 HG22 THR 47 2HG2 THR 47 -7.213 -2.553 -2.047 371 HG23 THR 47 3HG2 THR 47 -8.549 -2.358 -0.913 372 H LYS 48 H LYS 48 -8.819 -2.003 -5.622 373 HA LYS 48 HA LYS 48 -9.789 -0.062 -7.496 374 HB2 LYS 48 2HB LYS 48 -10.609 -1.952 -8.789 375 HB3 LYS 48 3HB LYS 48 -8.999 -2.318 -8.185 376 HG2 LYS 48 2HG LYS 48 -9.993 -3.747 -6.414 377 HG3 LYS 48 3HG LYS 48 -11.602 -3.383 -7.035 378 HD2 LYS 48 2HD LYS 48 -9.390 -4.854 -8.533 379 HD3 LYS 48 3HD LYS 48 -10.833 -5.584 -7.825 380 HE2 LYS 48 2HE LYS 48 -12.255 -4.329 -9.396 381 HE3 LYS 48 3HE LYS 48 -10.829 -3.550 -10.085 382 HZ1 LYS 48 1HZ LYS 48 -11.396 -6.470 -10.142 383 HZ2 LYS 48 2HZ LYS 48 -10.035 -5.718 -10.799 384 HZ3 LYS 48 3HZ LYS 48 -11.561 -5.407 -11.445 385 H MET 49 H MET 49 -11.043 -1.331 -4.625 386 HA MET 49 HA MET 49 -13.819 -0.596 -5.037 387 HB2 MET 49 2HB MET 49 -12.248 -1.242 -2.490 388 HB3 MET 49 3HB MET 49 -13.997 -1.065 -2.581 389 HG2 MET 49 2HG MET 49 -14.180 -3.040 -3.977 390 HG3 MET 49 3HG MET 49 -12.423 -3.163 -4.095 391 HE1 MET 49 1HE MET 49 -12.506 -5.724 -3.364 392 HE2 MET 49 2HE MET 49 -14.267 -5.639 -3.262 393 HE3 MET 49 3HE MET 49 -13.331 -6.295 -1.917 394 H LYS 50 H LYS 50 -10.984 1.082 -4.704 395 HA LYS 50 HA LYS 50 -10.307 3.174 -4.385 396 HB2 LYS 50 2HB LYS 50 -13.267 3.881 -4.417 397 HB3 LYS 50 3HB LYS 50 -11.962 5.061 -4.472 398 HG2 LYS 50 2HG LYS 50 -12.554 2.943 -6.567 399 HG3 LYS 50 3HG LYS 50 -12.850 4.678 -6.713 400 HD2 LYS 50 2HD LYS 50 -10.416 5.114 -6.594 401 HD3 LYS 50 3HD LYS 50 -10.106 3.387 -6.399 402 HE2 LYS 50 2HE LYS 50 -11.062 2.984 -8.654 403 HE3 LYS 50 3HE LYS 50 -11.320 4.721 -8.843 404 HZ1 LYS 50 1HZ LYS 50 -8.932 5.064 -8.682 405 HZ2 LYS 50 2HZ LYS 50 -9.287 3.986 -9.933 406 HZ3 LYS 50 3HZ LYS 50 -8.670 3.407 -8.467 407 H LYS 51 H LYS 51 -11.094 1.355 -2.105 408 HA LYS 51 HA LYS 51 -11.444 3.149 0.127 409 HB2 LYS 51 2HB LYS 51 -12.294 0.870 0.342 410 HB3 LYS 51 3HB LYS 51 -10.698 0.193 0.028 411 HG2 LYS 51 2HG LYS 51 -9.853 0.994 2.145 412 HG3 LYS 51 3HG LYS 51 -11.301 1.950 2.440 413 HD2 LYS 51 2HD LYS 51 -11.261 -1.090 2.268 414 HD3 LYS 51 3HD LYS 51 -11.178 -0.180 3.779 415 HE2 LYS 51 2HE LYS 51 -13.389 0.802 3.329 416 HE3 LYS 51 3HE LYS 51 -13.467 -0.047 1.784 417 HZ1 LYS 51 1HZ LYS 51 -14.732 -1.221 3.438 418 HZ2 LYS 51 2HZ LYS 51 -13.403 -1.289 4.482 419 HZ3 LYS 51 3HZ LYS 51 -13.377 -2.158 3.030 420 H VAL 52 H VAL 52 -9.950 4.057 1.318 421 HA VAL 52 HA VAL 52 -7.144 4.075 0.552 422 HB VAL 52 HB VAL 52 -8.647 5.624 2.732 423 HG11 VAL 52 1HG1 VAL 52 -6.691 7.104 2.853 424 HG12 VAL 52 2HG1 VAL 52 -5.857 6.124 1.649 425 HG13 VAL 52 3HG1 VAL 52 -6.228 5.440 3.232 426 HG21 VAL 52 1HG2 VAL 52 -7.789 6.542 -0.040 427 HG22 VAL 52 2HG2 VAL 52 -8.548 7.556 1.189 428 HG23 VAL 52 3HG2 VAL 52 -9.444 6.219 0.476 429 H ILE 53 H ILE 53 -5.811 2.571 1.418 430 HA ILE 53 HA ILE 53 -6.114 1.811 4.264 431 HB ILE 53 HB ILE 53 -5.071 -0.442 3.695 432 HG12 ILE 53 2HG1 ILE 53 -5.899 0.209 0.828 433 HG13 ILE 53 3HG1 ILE 53 -4.238 0.215 1.408 434 HG21 ILE 53 1HG2 ILE 53 -7.817 0.025 2.504 435 HG22 ILE 53 2HG2 ILE 53 -7.473 -0.212 4.217 436 HG23 ILE 53 3HG2 ILE 53 -7.171 -1.518 3.067 437 HD11 ILE 53 1HD1 ILE 53 -4.745 -1.810 0.199 438 HD12 ILE 53 2HD1 ILE 53 -6.060 -2.184 1.315 439 HD13 ILE 53 3HD1 ILE 53 -4.388 -2.160 1.888 440 H CYS 54 H CYS 54 -4.227 1.585 5.408 441 HA CYS 54 HA CYS 54 -1.705 2.547 4.179 442 HB2 CYS 54 2HB CYS 54 -1.121 3.173 6.579 443 HB3 CYS 54 3HB CYS 54 -2.465 4.087 5.900 444 H VAL 55 H VAL 55 0.002 1.132 4.202 445 HA VAL 55 HA VAL 55 -0.135 -1.318 5.871 446 HB VAL 55 HB VAL 55 0.678 -2.730 4.054 447 HG11 VAL 55 1HG1 VAL 55 -1.757 -1.173 3.118 448 HG12 VAL 55 2HG1 VAL 55 -1.757 -2.555 4.215 449 HG13 VAL 55 3HG1 VAL 55 -1.270 -2.768 2.532 450 HG21 VAL 55 1HG2 VAL 55 0.595 -0.277 2.262 451 HG22 VAL 55 2HG2 VAL 55 0.942 -1.927 1.731 452 HG23 VAL 55 3HG2 VAL 55 2.045 -1.105 2.835 453 H ASN 56 H ASN 56 1.996 -2.402 6.067 454 HA ASN 56 HA ASN 56 4.157 -0.591 6.612 455 HB2 ASN 56 2HB ASN 56 4.159 -3.645 6.564 456 HB3 ASN 56 3HB ASN 56 5.399 -2.628 7.289 457 HD21 ASN 56 1HD2 ASN 56 4.895 -1.503 9.246 458 HD22 ASN 56 2HD2 ASN 56 3.565 -1.986 10.237 459 HA PRO 57 HA PRO 57 6.012 -0.652 2.452 460 HB2 PRO 57 2HB PRO 57 8.608 0.023 3.783 461 HB3 PRO 57 3HB PRO 57 7.682 0.946 2.582 462 HG2 PRO 57 2HG PRO 57 7.823 1.730 5.146 463 HG3 PRO 57 3HG PRO 57 6.358 1.980 4.181 464 HD2 PRO 57 2HD PRO 57 6.911 -0.116 6.264 465 HD3 PRO 57 3HD PRO 57 5.423 0.810 5.961 466 H ARG 58 H ARG 58 7.413 -2.384 5.165 467 HA ARG 58 HA ARG 58 9.144 -4.066 3.522 468 HB2 ARG 58 2HB ARG 58 8.654 -4.032 6.527 469 HB3 ARG 58 3HB ARG 58 9.856 -5.032 5.715 470 HG2 ARG 58 2HG ARG 58 11.044 -2.988 4.969 471 HG3 ARG 58 3HG ARG 58 9.840 -1.994 5.798 472 HD2 ARG 58 2HD ARG 58 11.705 -3.996 7.130 473 HD3 ARG 58 3HD ARG 58 11.896 -2.240 7.140 474 HE ARG 58 HE ARG 58 9.371 -2.813 8.168 475 HH11 ARG 58 1HH1 ARG 58 12.714 -3.431 9.123 476 HH12 ARG 58 2HH1 ARG 58 12.341 -3.442 10.820 477 HH21 ARG 58 1HH2 ARG 58 8.915 -2.810 10.391 478 HH22 ARG 58 2HH2 ARG 58 10.193 -3.089 11.536 479 H ALA 59 H ALA 59 5.900 -4.175 4.029 480 HA ALA 59 HA ALA 59 5.332 -6.806 4.856 481 HB1 ALA 59 1HB ALA 59 3.559 -5.144 4.695 482 HB2 ALA 59 2HB ALA 59 3.153 -6.514 3.664 483 HB3 ALA 59 3HB ALA 59 3.770 -5.021 2.952 484 H LYS 60 H LYS 60 5.741 -8.711 3.908 485 HA LYS 60 HA LYS 60 7.545 -8.920 1.780 486 HB2 LYS 60 2HB LYS 60 7.210 -11.403 2.025 487 HB3 LYS 60 3HB LYS 60 7.542 -10.563 3.534 488 HG2 LYS 60 2HG LYS 60 5.088 -10.583 4.040 489 HG3 LYS 60 3HG LYS 60 4.838 -11.539 2.576 490 HD2 LYS 60 2HD LYS 60 6.203 -13.359 3.486 491 HD3 LYS 60 3HD LYS 60 6.576 -12.403 4.925 492 HE2 LYS 60 2HE LYS 60 3.807 -13.352 4.111 493 HE3 LYS 60 3HE LYS 60 4.817 -14.088 5.355 494 HZ1 LYS 60 1HZ LYS 60 3.804 -11.293 5.434 495 HZ2 LYS 60 2HZ LYS 60 4.689 -12.070 6.645 496 HZ3 LYS 60 3HZ LYS 60 3.126 -12.595 6.276 497 H TRP 61 H TRP 61 4.030 -9.380 1.773 498 HA TRP 61 HA TRP 61 3.800 -10.427 -0.864 499 HB2 TRP 61 2HB TRP 61 1.378 -9.942 -0.636 500 HB3 TRP 61 3HB TRP 61 2.014 -10.747 0.789 501 HD1 TRP 61 HD1 TRP 61 2.115 -9.292 3.091 502 HE1 TRP 61 HE1 TRP 61 0.822 -7.196 3.830 503 HE3 TRP 61 HE3 TRP 61 0.353 -7.736 -1.472 504 HZ2 TRP 61 HZ2 TRP 61 -0.729 -5.167 2.664 505 HZ3 TRP 61 HZ3 TRP 61 -1.031 -5.699 -1.567 506 HH2 TRP 61 HH2 TRP 61 -1.556 -4.437 0.463 507 H LEU 62 H LEU 62 3.957 -7.199 0.453 508 HA LEU 62 HA LEU 62 3.144 -5.743 -1.869 509 HB2 LEU 62 2HB LEU 62 2.977 -4.801 0.396 510 HB3 LEU 62 3HB LEU 62 4.715 -4.923 0.592 511 HG LEU 62 HG LEU 62 4.979 -3.230 -1.275 512 HD11 LEU 62 1HD1 LEU 62 2.909 -3.466 -2.451 513 HD12 LEU 62 2HD1 LEU 62 3.019 -1.816 -1.843 514 HD13 LEU 62 3HD1 LEU 62 1.979 -2.989 -1.033 515 HD21 LEU 62 1HD2 LEU 62 3.454 -2.289 1.165 516 HD22 LEU 62 2HD2 LEU 62 4.434 -1.280 0.102 517 HD23 LEU 62 3HD2 LEU 62 5.196 -2.548 1.054 518 H GLN 63 H GLN 63 6.242 -6.883 -0.556 519 HA GLN 63 HA GLN 63 8.042 -5.235 -1.923 520 HB2 GLN 63 2HB GLN 63 8.429 -8.084 -0.910 521 HB3 GLN 63 3HB GLN 63 9.741 -7.041 -1.448 522 HG2 GLN 63 2HG GLN 63 9.249 -5.448 0.358 523 HG3 GLN 63 3HG GLN 63 7.897 -6.444 0.891 524 HE21 GLN 63 1HE2 GLN 63 10.257 -5.629 2.403 525 HE22 GLN 63 2HE2 GLN 63 11.027 -7.087 2.918 526 H ARG 64 H ARG 64 6.735 -8.388 -2.915 527 HA ARG 64 HA ARG 64 8.194 -8.548 -5.373 528 HB2 ARG 64 2HB ARG 64 6.825 -10.465 -5.935 529 HB3 ARG 64 3HB ARG 64 7.290 -10.563 -4.243 530 HG2 ARG 64 2HG ARG 64 5.013 -9.817 -3.577 531 HG3 ARG 64 3HG ARG 64 4.556 -9.719 -5.277 532 HD2 ARG 64 2HD ARG 64 4.935 -12.139 -5.527 533 HD3 ARG 64 3HD ARG 64 5.452 -12.244 -3.838 534 HE ARG 64 HE ARG 64 2.836 -11.143 -4.032 535 HH11 ARG 64 1HH1 ARG 64 4.541 -14.226 -4.244 536 HH12 ARG 64 2HH1 ARG 64 3.150 -15.161 -3.790 537 HH21 ARG 64 1HH2 ARG 64 1.027 -12.407 -3.454 538 HH22 ARG 64 2HH2 ARG 64 1.182 -14.129 -3.345 539 H LEU 65 H LEU 65 5.188 -7.067 -4.451 540 HA LEU 65 HA LEU 65 4.208 -6.607 -7.118 541 HB2 LEU 65 2HB LEU 65 2.713 -6.882 -5.163 542 HB3 LEU 65 3HB LEU 65 3.386 -5.438 -4.436 543 HG LEU 65 HG LEU 65 2.346 -4.030 -6.157 544 HD11 LEU 65 1HD1 LEU 65 0.753 -4.981 -7.812 545 HD12 LEU 65 2HD1 LEU 65 1.330 -6.596 -7.398 546 HD13 LEU 65 3HD1 LEU 65 2.430 -5.422 -8.118 547 HD21 LEU 65 1HD2 LEU 65 -0.036 -4.425 -5.581 548 HD22 LEU 65 2HD2 LEU 65 1.022 -4.491 -4.177 549 HD23 LEU 65 3HD2 LEU 65 0.400 -5.983 -4.885 550 H LEU 66 H LEU 66 6.265 -4.937 -4.829 551 HA LEU 66 HA LEU 66 6.491 -2.450 -6.284 552 HB2 LEU 66 2HB LEU 66 8.325 -3.661 -4.167 553 HB3 LEU 66 3HB LEU 66 8.437 -2.016 -4.772 554 HG LEU 66 HG LEU 66 6.131 -3.159 -3.143 555 HD11 LEU 66 1HD1 LEU 66 8.252 -1.152 -2.319 556 HD12 LEU 66 2HD1 LEU 66 8.145 -2.829 -1.788 557 HD13 LEU 66 3HD1 LEU 66 6.884 -1.687 -1.340 558 HD21 LEU 66 1HD2 LEU 66 5.257 -0.860 -3.043 559 HD22 LEU 66 2HD2 LEU 66 5.280 -1.479 -4.690 560 HD23 LEU 66 3HD2 LEU 66 6.511 -0.328 -4.164 561 H ARG 67 H ARG 67 8.147 -5.586 -6.264 562 HA ARG 67 HA ARG 67 10.173 -4.867 -8.176 563 HB2 ARG 67 2HB ARG 67 10.423 -6.847 -6.688 564 HB3 ARG 67 3HB ARG 67 9.053 -7.623 -7.477 565 HG2 ARG 67 2HG ARG 67 10.361 -7.552 -9.640 566 HG3 ARG 67 3HG ARG 67 11.747 -6.969 -8.722 567 HD2 ARG 67 2HD ARG 67 11.861 -9.052 -7.473 568 HD3 ARG 67 3HD ARG 67 10.346 -9.614 -8.194 569 HE ARG 67 HE ARG 67 12.212 -9.020 -10.235 570 HH11 ARG 67 1HH1 ARG 67 11.634 -11.484 -7.780 571 HH12 ARG 67 2HH1 ARG 67 12.448 -12.728 -8.676 572 HH21 ARG 67 1HH2 ARG 67 13.253 -10.663 -11.389 573 HH22 ARG 67 2HH2 ARG 67 13.365 -12.261 -10.722 574 H HIS 68 H HIS 68 6.830 -5.969 -8.379 575 HA HIS 68 HA HIS 68 6.730 -6.808 -11.071 576 HB2 HIS 68 2HB HIS 68 4.923 -7.303 -9.455 577 HB3 HIS 68 3HB HIS 68 4.497 -5.598 -9.376 578 HD1 HIS 68 HD1 HIS 68 3.047 -4.654 -11.274 579 HD2 HIS 68 HD2 HIS 68 4.147 -8.618 -11.876 580 HE1 HIS 68 HE1 HIS 68 1.666 -5.454 -13.208 581 HE2 HIS 68 HE2 HIS 68 2.471 -7.792 -13.651 582 H VAL 69 H VAL 69 6.412 -3.602 -9.606 583 HA VAL 69 HA VAL 69 5.559 -2.282 -12.038 584 HB VAL 69 HB VAL 69 5.649 -0.180 -10.864 585 HG11 VAL 69 1HG1 VAL 69 4.595 -2.283 -8.935 586 HG12 VAL 69 2HG1 VAL 69 3.726 -1.605 -10.311 587 HG13 VAL 69 3HG1 VAL 69 4.161 -0.573 -8.951 588 HG21 VAL 69 1HG2 VAL 69 7.131 -1.550 -8.596 589 HG22 VAL 69 2HG2 VAL 69 6.544 0.113 -8.590 590 HG23 VAL 69 3HG2 VAL 69 7.798 -0.370 -9.727 591 H GLN 70 H GLN 70 8.548 -3.388 -10.919 592 HA GLN 70 HA GLN 70 10.209 -1.448 -12.343 593 HB2 GLN 70 2HB GLN 70 10.961 -2.361 -10.158 594 HB3 GLN 70 3HB GLN 70 10.959 -3.991 -10.823 595 HG2 GLN 70 2HG GLN 70 12.751 -3.310 -12.418 596 HG3 GLN 70 3HG GLN 70 12.758 -1.702 -11.692 597 HE21 GLN 70 1HE2 GLN 70 13.624 -1.447 -9.579 598 HE22 GLN 70 2HE2 GLN 70 14.639 -2.647 -8.865 599 H SER 71 H SER 71 10.230 -1.676 -14.522 600 HA SER 71 HA SER 71 10.097 -4.276 -15.859 601 HB2 SER 71 2HB SER 71 10.077 -2.886 -17.953 602 HB3 SER 71 3HB SER 71 8.798 -2.430 -16.829 603 HG SER 71 HG SER 71 9.672 -0.528 -16.606 604 H LYS 72 H LYS 72 11.889 -5.383 -16.492 605 HA LYS 72 HA LYS 72 14.553 -4.308 -16.322 606 HB2 LYS 72 2HB LYS 72 14.172 -6.727 -15.949 607 HB3 LYS 72 3HB LYS 72 13.572 -6.909 -17.595 608 HG2 LYS 72 2HG LYS 72 15.806 -6.301 -18.483 609 HG3 LYS 72 3HG LYS 72 16.396 -6.088 -16.835 610 HD2 LYS 72 2HD LYS 72 17.144 -8.246 -17.656 611 HD3 LYS 72 3HD LYS 72 15.946 -8.507 -16.388 612 HE2 LYS 72 2HE LYS 72 14.226 -8.949 -18.115 613 HE3 LYS 72 3HE LYS 72 15.428 -8.684 -19.380 614 HZ1 LYS 72 1HZ LYS 72 15.530 -10.828 -17.316 615 HZ2 LYS 72 2HZ LYS 72 16.698 -10.559 -18.507 616 HZ3 LYS 72 3HZ LYS 72 15.138 -11.039 -18.949 617 H SER 73 H SER 73 14.685 -2.557 -17.623 618 HA SER 73 HA SER 73 14.833 -2.914 -20.539 619 HB2 SER 73 2HB SER 73 13.489 -0.748 -20.818 620 HB3 SER 73 3HB SER 73 12.550 -2.125 -20.242 621 HG SER 73 HG SER 73 12.356 -1.220 -18.293 622 H LEU 74 H LEU 74 16.671 -2.501 -18.208 623 HA LEU 74 HA LEU 74 18.265 -1.251 -17.272 624 HB2 LEU 74 2HB LEU 74 19.073 -1.536 -19.767 625 HB3 LEU 74 3HB LEU 74 18.726 0.172 -19.917 626 HG LEU 74 HG LEU 74 21.120 -0.185 -19.549 627 HD11 LEU 74 1HD1 LEU 74 20.213 1.876 -18.592 628 HD12 LEU 74 2HD1 LEU 74 21.594 1.286 -17.672 629 HD13 LEU 74 3HD1 LEU 74 19.956 1.062 -17.048 630 HD21 LEU 74 1HD2 LEU 74 20.993 -2.347 -18.358 631 HD22 LEU 74 2HD2 LEU 74 20.480 -1.507 -16.894 632 HD23 LEU 74 3HD2 LEU 74 22.078 -1.202 -17.570 633 H SER 75 H SER 75 16.552 -0.321 -16.073 634 HA SER 75 HA SER 75 15.350 2.189 -16.683 635 HB2 SER 75 2HB SER 75 15.625 0.778 -13.985 636 HB3 SER 75 3HB SER 75 14.459 2.040 -14.397 637 HG SER 75 HG SER 75 13.782 0.489 -16.116 638 H SER 76 H SER 76 16.630 3.932 -16.889 639 HA SER 76 HA SER 76 19.048 4.343 -15.346 640 HB2 SER 76 2HB SER 76 17.629 6.174 -17.333 641 HB3 SER 76 3HB SER 76 19.252 6.423 -16.678 642 HG SER 76 HG SER 76 18.478 4.106 -18.122 643 H THR 77 H THR 77 19.418 6.154 -13.963 644 HA THR 77 HA THR 77 17.443 6.674 -12.041 645 HB THR 77 HB THR 77 19.097 8.451 -11.222 646 HG1 THR 77 HG1 THR 77 20.024 8.910 -13.291 647 HG21 THR 77 1HG2 THR 77 19.216 6.108 -10.388 648 HG22 THR 77 2HG2 THR 77 20.818 6.835 -10.519 649 HG23 THR 77 3HG2 THR 77 20.273 5.686 -11.743 650 HA PRO 78 HA PRO 78 14.699 9.713 -13.871 651 HB2 PRO 78 2HB PRO 78 15.064 11.166 -11.233 652 HB3 PRO 78 3HB PRO 78 13.565 10.811 -12.122 653 HG2 PRO 78 2HG PRO 78 14.224 9.327 -10.025 654 HG3 PRO 78 3HG PRO 78 13.546 8.562 -11.481 655 HD2 PRO 78 2HD PRO 78 16.376 8.552 -10.494 656 HD3 PRO 78 3HD PRO 78 15.481 7.310 -11.403 657 H GLN 79 H GLN 79 15.108 11.283 -15.284 658 HA GLN 79 HA GLN 79 17.635 12.714 -15.241 659 HB2 GLN 79 2HB GLN 79 15.447 12.660 -17.363 660 HB3 GLN 79 3HB GLN 79 17.012 13.442 -17.543 661 HG2 GLN 79 2HG GLN 79 17.187 11.373 -18.700 662 HG3 GLN 79 3HG GLN 79 18.082 11.157 -17.196 663 HE21 GLN 79 1HE2 GLN 79 17.877 8.908 -17.178 664 HE22 GLN 79 2HE2 GLN 79 16.364 8.104 -16.935 665 H ALA 80 H ALA 80 15.018 13.379 -13.607 666 HA ALA 80 HA ALA 80 15.574 16.266 -13.591 667 HB1 ALA 80 1HB ALA 80 13.183 16.762 -13.243 668 HB2 ALA 80 2HB ALA 80 12.787 15.053 -13.425 669 HB3 ALA 80 3HB ALA 80 13.427 15.958 -14.796 670 HA PRO 81 HA PRO 81 15.987 14.290 -9.355 671 HB2 PRO 81 2HB PRO 81 18.263 15.598 -8.577 672 HB3 PRO 81 3HB PRO 81 18.322 14.154 -9.613 673 HG2 PRO 81 2HG PRO 81 18.511 17.045 -10.400 674 HG3 PRO 81 3HG PRO 81 19.486 15.664 -10.956 675 HD2 PRO 81 2HD PRO 81 17.402 16.670 -12.415 676 HD3 PRO 81 3HD PRO 81 17.866 14.956 -12.471 677 H VAL 82 H VAL 82 15.779 15.355 -7.226 678 HA VAL 82 HA VAL 82 14.005 17.602 -7.288 679 HB VAL 82 HB VAL 82 15.360 16.271 -4.880 680 HG11 VAL 82 1HG1 VAL 82 14.755 18.583 -4.304 681 HG12 VAL 82 2HG1 VAL 82 13.682 17.455 -3.474 682 HG13 VAL 82 3HG1 VAL 82 13.113 18.327 -4.901 683 HG21 VAL 82 1HG2 VAL 82 13.104 15.261 -4.476 684 HG22 VAL 82 2HG2 VAL 82 13.801 14.739 -6.006 685 HG23 VAL 82 3HG2 VAL 82 12.536 15.966 -5.991 686 H SER 83 H SER 83 14.708 19.583 -7.773 687 HA SER 83 HA SER 83 17.440 20.419 -7.554 688 HB2 SER 83 2HB SER 83 14.992 22.063 -8.326 689 HB3 SER 83 3HB SER 83 16.674 22.475 -8.656 690 HG SER 83 HG SER 83 16.763 20.944 -10.188 691 H LYS 84 H LYS 84 17.412 20.033 -5.169 692 HA LYS 84 HA LYS 84 16.800 22.529 -3.703 693 HB2 LYS 84 2HB LYS 84 17.211 19.660 -2.762 694 HB3 LYS 84 3HB LYS 84 17.485 21.005 -1.661 695 HG2 LYS 84 2HG LYS 84 14.862 20.440 -3.088 696 HG3 LYS 84 3HG LYS 84 15.228 20.021 -1.410 697 HD2 LYS 84 2HD LYS 84 15.566 22.454 -0.915 698 HD3 LYS 84 3HD LYS 84 15.099 22.835 -2.574 699 HE2 LYS 84 2HE LYS 84 13.309 21.424 -0.565 700 HE3 LYS 84 3HE LYS 84 13.261 23.150 -0.908 701 HZ1 LYS 84 1HZ LYS 84 12.751 21.019 -2.912 702 HZ2 LYS 84 2HZ LYS 84 12.611 22.685 -3.161 703 HZ3 LYS 84 3HZ LYS 84 11.556 21.899 -2.100 704 H ARG 85 H ARG 85 18.475 23.841 -4.053 705 HA ARG 85 HA ARG 85 21.241 22.807 -3.870 706 HB2 ARG 85 2HB ARG 85 20.242 25.256 -5.409 707 HB3 ARG 85 3HB ARG 85 21.913 24.700 -5.325 708 HG2 ARG 85 2HG ARG 85 21.187 22.564 -6.453 709 HG3 ARG 85 3HG ARG 85 19.582 23.276 -6.652 710 HD2 ARG 85 2HD ARG 85 20.599 25.122 -7.976 711 HD3 ARG 85 3HD ARG 85 22.179 24.349 -7.813 712 HE ARG 85 HE ARG 85 19.900 23.018 -9.153 713 HH11 ARG 85 1HH1 ARG 85 23.283 24.023 -9.229 714 HH12 ARG 85 2HH1 ARG 85 23.596 23.237 -10.746 715 HH21 ARG 85 1HH2 ARG 85 20.320 22.075 -11.166 716 HH22 ARG 85 2HH2 ARG 85 21.921 22.141 -11.833 717 H ARG 86 H ARG 86 22.743 24.085 -2.773 718 HA ARG 86 HA ARG 86 21.701 26.185 -0.984 719 HB2 ARG 86 2HB ARG 86 23.010 25.278 0.896 720 HB3 ARG 86 3HB ARG 86 21.830 24.103 0.345 721 HG2 ARG 86 2HG ARG 86 24.763 23.990 -0.433 722 HG3 ARG 86 3HG ARG 86 24.124 23.202 1.003 723 HD2 ARG 86 2HD ARG 86 22.751 21.725 -0.333 724 HD3 ARG 86 3HD ARG 86 23.138 22.611 -1.812 725 HE ARG 86 HE ARG 86 25.566 21.799 -0.884 726 HH11 ARG 86 1HH1 ARG 86 22.608 20.048 -1.653 727 HH12 ARG 86 2HH1 ARG 86 23.443 18.595 -2.103 728 HH21 ARG 86 1HH2 ARG 86 26.649 19.884 -1.542 729 HH22 ARG 86 2HH2 ARG 86 25.717 18.505 -2.037 730 H ALA 87 H ALA 87 22.869 27.996 -1.171 731 HA ALA 87 HA ALA 87 25.559 27.913 -2.442 732 HB1 ALA 87 1HB ALA 87 25.014 30.126 -3.400 733 HB2 ALA 87 2HB ALA 87 23.422 30.077 -2.636 734 HB3 ALA 87 3HB ALA 87 23.834 28.916 -3.899 735 H ALA 88 H ALA 88 27.148 29.234 -1.570 736 HA ALA 88 HA ALA 88 27.105 29.703 1.212 737 HB1 ALA 88 1HB ALA 88 29.108 30.705 -0.844 738 HB2 ALA 88 2HB ALA 88 29.162 29.149 -0.016 739 HB3 ALA 88 3HB ALA 88 29.360 30.640 0.906 Start of MODEL 15 1 H1 ILE 1 1H ILE 1 4.037 7.923 28.490 2 H2 ILE 1 2H ILE 1 2.524 8.546 28.916 3 H3 ILE 1 3H ILE 1 3.887 9.540 28.961 4 HA ILE 1 HA ILE 1 4.155 9.363 26.599 5 HB ILE 1 HB ILE 1 1.525 7.809 26.682 6 HG12 ILE 1 2HG1 ILE 1 3.511 6.398 27.313 7 HG13 ILE 1 3HG1 ILE 1 2.763 5.868 25.812 8 HG21 ILE 1 1HG2 ILE 1 1.765 7.622 24.202 9 HG22 ILE 1 2HG2 ILE 1 3.179 8.677 24.263 10 HG23 ILE 1 3HG2 ILE 1 1.595 9.300 24.726 11 HD11 ILE 1 1HD1 ILE 1 5.295 7.483 26.069 12 HD12 ILE 1 2HD1 ILE 1 4.551 6.978 24.549 13 HD13 ILE 1 3HD1 ILE 1 5.170 5.771 25.673 14 H LEU 2 H LEU 2 3.987 11.559 26.862 15 HA LEU 2 HA LEU 2 1.442 12.919 27.200 16 HB2 LEU 2 2HB LEU 2 3.804 13.766 27.901 17 HB3 LEU 2 3HB LEU 2 4.068 14.130 26.210 18 HG LEU 2 HG LEU 2 3.437 16.136 27.562 19 HD11 LEU 2 1HD1 LEU 2 2.923 16.192 25.161 20 HD12 LEU 2 2HD1 LEU 2 1.759 17.126 26.094 21 HD13 LEU 2 3HD1 LEU 2 1.317 15.531 25.473 22 HD21 LEU 2 1HD2 LEU 2 1.978 15.071 29.216 23 HD22 LEU 2 2HD2 LEU 2 0.749 14.779 27.983 24 HD23 LEU 2 3HD2 LEU 2 1.160 16.432 28.447 25 H GLU 3 H GLU 3 0.065 12.499 25.548 26 HA GLU 3 HA GLU 3 0.868 12.138 22.806 27 HB2 GLU 3 2HB GLU 3 -1.921 12.492 24.005 28 HB3 GLU 3 3HB GLU 3 -1.569 11.962 22.361 29 HG2 GLU 3 2HG GLU 3 -0.474 9.920 23.252 30 HG3 GLU 3 3HG GLU 3 -0.819 10.465 24.893 31 H ALA 4 H ALA 4 1.918 14.070 22.257 32 HA ALA 4 HA ALA 4 0.870 16.690 22.473 33 HB1 ALA 4 1HB ALA 4 2.887 15.569 20.486 34 HB2 ALA 4 2HB ALA 4 3.258 16.239 22.075 35 HB3 ALA 4 3HB ALA 4 2.616 17.285 20.806 36 H HIS 5 H HIS 5 -0.328 17.920 21.016 37 HA HIS 5 HA HIS 5 -2.213 16.636 19.335 38 HB2 HIS 5 2HB HIS 5 -1.498 19.583 19.635 39 HB3 HIS 5 3HB HIS 5 -2.777 19.022 18.560 40 HD1 HIS 5 HD1 HIS 5 -4.944 19.511 19.648 41 HD2 HIS 5 HD2 HIS 5 -2.136 18.151 22.393 42 HE1 HIS 5 HE1 HIS 5 -6.139 19.404 21.852 43 HE2 HIS 5 HE2 HIS 5 -4.423 18.588 23.478 44 H TYR 6 H TYR 6 -1.827 15.772 17.446 45 HA TYR 6 HA TYR 6 0.680 15.962 16.142 46 HB2 TYR 6 2HB TYR 6 -1.879 14.610 15.170 47 HB3 TYR 6 3HB TYR 6 -0.245 14.293 14.587 48 HD1 TYR 6 HD1 TYR 6 1.494 13.421 16.322 49 HD2 TYR 6 HD2 TYR 6 -2.728 13.328 17.014 50 HE1 TYR 6 HE1 TYR 6 1.818 11.758 18.102 51 HE2 TYR 6 HE2 TYR 6 -2.394 11.657 18.791 52 HH TYR 6 HH TYR 6 0.613 11.003 20.138 53 H THR 7 H THR 7 1.266 16.943 14.330 54 HA THR 7 HA THR 7 0.141 19.377 13.547 55 HB THR 7 HB THR 7 2.575 18.817 13.356 56 HG1 THR 7 HG1 THR 7 2.040 20.559 12.163 57 HG21 THR 7 1HG2 THR 7 3.422 17.551 11.399 58 HG22 THR 7 2HG2 THR 7 1.769 17.157 10.929 59 HG23 THR 7 3HG2 THR 7 2.433 16.518 12.431 60 H ASN 8 H ASN 8 -0.513 20.030 11.343 61 HA ASN 8 HA ASN 8 -2.277 18.064 10.003 62 HB2 ASN 8 2HB ASN 8 -2.319 21.119 9.961 63 HB3 ASN 8 3HB ASN 8 -3.441 20.099 9.075 64 HD21 ASN 8 1HD2 ASN 8 -3.532 18.156 11.458 65 HD22 ASN 8 2HD2 ASN 8 -4.573 18.971 12.566 66 H LEU 9 H LEU 9 -2.560 18.697 7.569 67 HA LEU 9 HA LEU 9 -1.785 18.547 5.466 68 HB2 LEU 9 2HB LEU 9 0.493 20.223 6.587 69 HB3 LEU 9 3HB LEU 9 0.450 19.719 4.911 70 HG LEU 9 HG LEU 9 -1.705 20.999 4.622 71 HD11 LEU 9 1HD1 LEU 9 -2.349 22.710 6.261 72 HD12 LEU 9 2HD1 LEU 9 -1.148 22.091 7.396 73 HD13 LEU 9 3HD1 LEU 9 -2.517 21.082 6.922 74 HD21 LEU 9 1HD2 LEU 9 0.423 21.954 3.902 75 HD22 LEU 9 2HD2 LEU 9 0.700 22.626 5.513 76 HD23 LEU 9 3HD2 LEU 9 -0.640 23.215 4.530 77 H LYS 10 H LYS 10 -1.249 16.566 7.480 78 HA LYS 10 HA LYS 10 1.347 15.350 6.816 79 HB2 LYS 10 2HB LYS 10 1.030 13.987 8.772 80 HB3 LYS 10 3HB LYS 10 0.614 15.636 9.215 81 HG2 LYS 10 2HG LYS 10 -1.803 15.072 9.024 82 HG3 LYS 10 3HG LYS 10 -1.369 13.413 8.604 83 HD2 LYS 10 2HD LYS 10 -0.286 13.133 10.818 84 HD3 LYS 10 3HD LYS 10 -0.698 14.800 11.236 85 HE2 LYS 10 2HE LYS 10 -3.135 14.173 10.935 86 HE3 LYS 10 3HE LYS 10 -2.615 12.493 10.763 87 HZ1 LYS 10 1HZ LYS 10 -2.247 14.245 13.119 88 HZ2 LYS 10 2HZ LYS 10 -1.563 12.706 12.975 89 HZ3 LYS 10 3HZ LYS 10 -3.241 12.885 13.002 90 H CYS 11 H CYS 11 1.230 12.864 6.720 91 HA CYS 11 HA CYS 11 -0.506 11.977 4.614 92 HB2 CYS 11 2HB CYS 11 1.524 10.494 6.340 93 HB3 CYS 11 3HB CYS 11 0.705 9.802 4.938 94 H ARG 12 H ARG 12 -2.503 11.110 4.871 95 HA ARG 12 HA ARG 12 -3.575 10.405 7.468 96 HB2 ARG 12 2HB ARG 12 -4.704 10.281 4.644 97 HB3 ARG 12 3HB ARG 12 -5.554 9.526 5.986 98 HG2 ARG 12 2HG ARG 12 -6.543 11.675 5.605 99 HG3 ARG 12 3HG ARG 12 -5.658 11.743 7.125 100 HD2 ARG 12 2HD ARG 12 -3.818 12.955 5.992 101 HD3 ARG 12 3HD ARG 12 -4.707 12.874 4.466 102 HE ARG 12 HE ARG 12 -6.267 14.076 6.523 103 HH11 ARG 12 1HH1 ARG 12 -3.654 14.758 4.289 104 HH12 ARG 12 2HH1 ARG 12 -3.968 16.470 4.242 105 HH21 ARG 12 1HH2 ARG 12 -6.670 16.296 6.507 106 HH22 ARG 12 2HH2 ARG 12 -5.704 17.347 5.520 107 H CYS 13 H CYS 13 -3.024 8.577 8.409 108 HA CYS 13 HA CYS 13 -2.736 6.077 6.841 109 HB2 CYS 13 2HB CYS 13 -0.784 6.730 8.270 110 HB3 CYS 13 3HB CYS 13 -1.822 6.663 9.689 111 H SER 14 H SER 14 -4.635 5.085 6.743 112 HA SER 14 HA SER 14 -6.729 5.416 8.714 113 HB2 SER 14 2HB SER 14 -6.652 3.697 6.189 114 HB3 SER 14 3HB SER 14 -8.091 4.058 7.148 115 HG SER 14 HG SER 14 -7.078 6.390 6.610 116 H GLY 15 H GLY 15 -5.354 4.506 10.440 117 HA2 GLY 15 2HA GLY 15 -4.869 2.904 11.980 118 HA3 GLY 15 3HA GLY 15 -6.133 1.928 11.254 119 H VAL 16 H VAL 16 -5.056 -0.036 11.384 120 HA VAL 16 HA VAL 16 -3.011 -0.467 9.300 121 HB VAL 16 HB VAL 16 -1.822 -2.160 10.681 122 HG11 VAL 16 1HG1 VAL 16 -0.566 -0.645 12.174 123 HG12 VAL 16 2HG1 VAL 16 -1.829 0.580 12.012 124 HG13 VAL 16 3HG1 VAL 16 -0.871 0.103 10.607 125 HG21 VAL 16 1HG2 VAL 16 -3.635 -2.777 12.235 126 HG22 VAL 16 2HG2 VAL 16 -3.512 -1.206 13.027 127 HG23 VAL 16 3HG2 VAL 16 -2.166 -2.348 13.115 128 H ILE 17 H ILE 17 -3.054 -2.648 8.417 129 HA ILE 17 HA ILE 17 -5.556 -4.135 8.941 130 HB ILE 17 HB ILE 17 -5.888 -4.548 6.522 131 HG12 ILE 17 2HG1 ILE 17 -4.569 -2.535 5.087 132 HG13 ILE 17 3HG1 ILE 17 -3.320 -3.042 6.200 133 HG21 ILE 17 1HG2 ILE 17 -6.824 -2.336 5.931 134 HG22 ILE 17 2HG2 ILE 17 -5.897 -1.597 7.237 135 HG23 ILE 17 3HG2 ILE 17 -7.168 -2.766 7.608 136 HD11 ILE 17 1HD1 ILE 17 -3.135 -4.195 4.090 137 HD12 ILE 17 2HD1 ILE 17 -4.783 -4.798 4.242 138 HD13 ILE 17 3HD1 ILE 17 -3.539 -5.347 5.368 139 H SER 18 H SER 18 -5.293 -6.229 9.203 140 HA SER 18 HA SER 18 -2.694 -7.498 8.817 141 HB2 SER 18 2HB SER 18 -3.873 -9.419 10.040 142 HB3 SER 18 3HB SER 18 -3.742 -7.908 10.939 143 HG SER 18 HG SER 18 -5.842 -7.688 10.899 144 H THR 19 H THR 19 -5.493 -7.101 6.972 145 HA THR 19 HA THR 19 -5.938 -9.647 5.837 146 HB THR 19 HB THR 19 -6.452 -6.916 4.554 147 HG1 THR 19 HG1 THR 19 -7.985 -8.407 6.448 148 HG21 THR 19 1HG2 THR 19 -8.333 -8.030 3.420 149 HG22 THR 19 2HG2 THR 19 -7.900 -9.569 4.167 150 HG23 THR 19 3HG2 THR 19 -6.810 -8.820 2.998 151 H VAL 20 H VAL 20 -4.720 -10.765 4.370 152 HA VAL 20 HA VAL 20 -2.445 -9.670 3.034 153 HB VAL 20 HB VAL 20 -2.559 -12.114 3.617 154 HG11 VAL 20 1HG1 VAL 20 -4.548 -12.391 1.330 155 HG12 VAL 20 2HG1 VAL 20 -4.876 -12.699 3.030 156 HG13 VAL 20 3HG1 VAL 20 -3.754 -13.733 2.157 157 HG21 VAL 20 1HG2 VAL 20 -1.493 -12.942 1.519 158 HG22 VAL 20 2HG2 VAL 20 -0.922 -11.339 1.983 159 HG23 VAL 20 3HG2 VAL 20 -2.093 -11.511 0.675 160 H VAL 21 H VAL 21 -2.538 -8.344 1.339 161 HA VAL 21 HA VAL 21 -5.013 -8.146 -0.276 162 HB VAL 21 HB VAL 21 -2.845 -6.048 0.184 163 HG11 VAL 21 1HG1 VAL 21 -5.531 -5.762 -1.212 164 HG12 VAL 21 2HG1 VAL 21 -3.961 -5.781 -2.014 165 HG13 VAL 21 3HG1 VAL 21 -4.374 -4.465 -0.913 166 HG21 VAL 21 1HG2 VAL 21 -4.545 -4.883 1.559 167 HG22 VAL 21 2HG2 VAL 21 -4.146 -6.464 2.229 168 HG23 VAL 21 3HG2 VAL 21 -5.655 -6.236 1.340 169 H GLY 22 H GLY 22 -4.953 -8.646 -2.358 170 HA2 GLY 22 2HA GLY 22 -2.393 -9.444 -3.587 171 HA3 GLY 22 3HA GLY 22 -3.990 -10.011 -4.047 172 H LEU 23 H LEU 23 -2.116 -9.150 -5.839 173 HA LEU 23 HA LEU 23 -2.117 -6.490 -6.661 174 HB2 LEU 23 2HB LEU 23 -0.560 -8.376 -7.319 175 HB3 LEU 23 3HB LEU 23 -1.782 -8.948 -8.430 176 HG LEU 23 HG LEU 23 -0.619 -6.141 -8.710 177 HD11 LEU 23 1HD1 LEU 23 1.036 -7.058 -10.297 178 HD12 LEU 23 2HD1 LEU 23 0.547 -8.700 -9.871 179 HD13 LEU 23 3HD1 LEU 23 1.292 -7.655 -8.658 180 HD21 LEU 23 1HD2 LEU 23 -2.630 -6.625 -10.063 181 HD22 LEU 23 2HD2 LEU 23 -1.834 -8.028 -10.771 182 HD23 LEU 23 3HD2 LEU 23 -1.213 -6.410 -11.093 183 H ASN 24 H ASN 24 -4.379 -9.086 -7.311 184 HA ASN 24 HA ASN 24 -5.811 -8.070 -9.479 185 HB2 ASN 24 2HB ASN 24 -5.971 -10.402 -8.699 186 HB3 ASN 24 3HB ASN 24 -6.777 -9.882 -7.227 187 HD21 ASN 24 1HD2 ASN 24 -7.125 -10.284 -10.685 188 HD22 ASN 24 2HD2 ASN 24 -8.850 -10.178 -10.718 189 H ILE 25 H ILE 25 -6.029 -7.264 -6.035 190 HA ILE 25 HA ILE 25 -8.350 -5.510 -6.604 191 HB ILE 25 HB ILE 25 -8.903 -5.501 -4.213 192 HG12 ILE 25 2HG1 ILE 25 -6.673 -7.557 -3.829 193 HG13 ILE 25 3HG1 ILE 25 -6.577 -5.875 -3.323 194 HG21 ILE 25 1HG2 ILE 25 -9.971 -7.171 -5.651 195 HG22 ILE 25 2HG2 ILE 25 -9.730 -7.825 -4.029 196 HG23 ILE 25 3HG2 ILE 25 -8.654 -8.307 -5.342 197 HD11 ILE 25 1HD1 ILE 25 -8.440 -6.253 -1.769 198 HD12 ILE 25 2HD1 ILE 25 -7.063 -7.306 -1.450 199 HD13 ILE 25 3HD1 ILE 25 -8.493 -7.950 -2.258 200 H ILE 26 H ILE 26 -5.098 -5.205 -6.457 201 HA ILE 26 HA ILE 26 -4.930 -2.674 -5.054 202 HB ILE 26 HB ILE 26 -3.042 -3.932 -7.107 203 HG12 ILE 26 2HG1 ILE 26 -3.255 -5.200 -4.915 204 HG13 ILE 26 3HG1 ILE 26 -1.634 -4.656 -5.294 205 HG21 ILE 26 1HG2 ILE 26 -1.337 -2.286 -6.339 206 HG22 ILE 26 2HG2 ILE 26 -2.559 -1.487 -5.348 207 HG23 ILE 26 3HG2 ILE 26 -2.725 -1.507 -7.103 208 HD11 ILE 26 1HD1 ILE 26 -1.920 -2.803 -3.688 209 HD12 ILE 26 2HD1 ILE 26 -2.052 -4.405 -2.969 210 HD13 ILE 26 3HD1 ILE 26 -3.505 -3.459 -3.267 211 H ASP 27 H ASP 27 -6.001 -0.932 -5.831 212 HA ASP 27 HA ASP 27 -6.609 -0.605 -8.676 213 HB2 ASP 27 2HB ASP 27 -8.298 -0.044 -6.959 214 HB3 ASP 27 3HB ASP 27 -7.245 1.178 -6.275 215 H ARG 28 H ARG 28 -4.939 1.315 -6.134 216 HA ARG 28 HA ARG 28 -2.790 2.079 -7.926 217 HB2 ARG 28 2HB ARG 28 -4.971 4.054 -7.175 218 HB3 ARG 28 3HB ARG 28 -3.320 4.654 -7.257 219 HG2 ARG 28 2HG ARG 28 -3.140 4.196 -9.597 220 HG3 ARG 28 3HG ARG 28 -4.580 3.176 -9.591 221 HD2 ARG 28 2HD ARG 28 -4.578 6.180 -9.124 222 HD3 ARG 28 3HD ARG 28 -4.990 5.374 -10.645 223 HE ARG 28 HE ARG 28 -6.552 4.326 -8.537 224 HH11 ARG 28 1HH1 ARG 28 -6.371 7.243 -10.518 225 HH12 ARG 28 2HH1 ARG 28 -8.060 7.594 -10.325 226 HH21 ARG 28 1HH2 ARG 28 -8.717 4.782 -8.329 227 HH22 ARG 28 2HH2 ARG 28 -9.394 6.199 -9.082 228 H ILE 29 H ILE 29 -0.958 2.748 -6.820 229 HA ILE 29 HA ILE 29 -1.071 2.890 -3.840 230 HB ILE 29 HB ILE 29 1.179 1.725 -5.590 231 HG12 ILE 29 2HG1 ILE 29 -0.732 0.325 -3.666 232 HG13 ILE 29 3HG1 ILE 29 -0.772 0.206 -5.419 233 HG21 ILE 29 1HG2 ILE 29 2.287 1.091 -3.440 234 HG22 ILE 29 2HG2 ILE 29 1.051 1.978 -2.549 235 HG23 ILE 29 3HG2 ILE 29 2.149 2.842 -3.621 236 HD11 ILE 29 1HD1 ILE 29 1.423 -0.893 -5.386 237 HD12 ILE 29 2HD1 ILE 29 0.205 -1.767 -4.461 238 HD13 ILE 29 3HD1 ILE 29 1.427 -0.813 -3.619 239 H GLN 30 H GLN 30 -0.043 4.616 -2.928 240 HA GLN 30 HA GLN 30 1.936 6.163 -4.471 241 HB2 GLN 30 2HB GLN 30 1.063 8.290 -3.480 242 HB3 GLN 30 3HB GLN 30 -0.051 7.544 -4.611 243 HG2 GLN 30 2HG GLN 30 -0.363 7.120 -1.638 244 HG3 GLN 30 3HG GLN 30 -0.983 8.573 -2.413 245 HE21 GLN 30 1HE2 GLN 30 -2.691 8.379 -3.903 246 HE22 GLN 30 2HE2 GLN 30 -3.710 6.986 -3.949 247 H VAL 31 H VAL 31 3.644 6.962 -3.232 248 HA VAL 31 HA VAL 31 3.777 5.971 -0.423 249 HB VAL 31 HB VAL 31 6.169 5.559 -0.609 250 HG11 VAL 31 1HG1 VAL 31 6.171 3.582 -2.097 251 HG12 VAL 31 2HG1 VAL 31 4.668 4.136 -2.841 252 HG13 VAL 31 3HG1 VAL 31 4.696 3.678 -1.136 253 HG21 VAL 31 1HG2 VAL 31 6.731 7.282 -2.333 254 HG22 VAL 31 2HG2 VAL 31 6.069 6.223 -3.578 255 HG23 VAL 31 3HG2 VAL 31 7.472 5.714 -2.647 256 H THR 32 H THR 32 4.595 7.322 1.095 257 HA THR 32 HA THR 32 5.032 10.156 0.296 258 HB THR 32 HB THR 32 3.854 10.777 2.405 259 HG1 THR 32 HG1 THR 32 3.281 7.995 2.605 260 HG21 THR 32 1HG2 THR 32 2.161 8.943 0.663 261 HG22 THR 32 2HG2 THR 32 2.477 10.651 0.349 262 HG23 THR 32 3HG2 THR 32 1.538 10.174 1.766 263 HA PRO 33 HA PRO 33 8.915 9.629 2.334 264 HB2 PRO 33 2HB PRO 33 9.769 12.186 2.599 265 HB3 PRO 33 3HB PRO 33 9.422 11.501 1.001 266 HG2 PRO 33 2HG PRO 33 7.689 13.293 2.679 267 HG3 PRO 33 3HG PRO 33 8.064 13.409 0.942 268 HD2 PRO 33 2HD PRO 33 5.756 12.250 1.909 269 HD3 PRO 33 3HD PRO 33 6.499 11.798 0.360 270 HA PRO 34 HA PRO 34 8.717 10.111 6.858 271 HB2 PRO 34 2HB PRO 34 11.358 10.114 7.552 272 HB3 PRO 34 3HB PRO 34 10.541 8.647 6.967 273 HG2 PRO 34 2HG PRO 34 12.311 10.544 5.451 274 HG3 PRO 34 3HG PRO 34 12.296 8.767 5.427 275 HD2 PRO 34 2HD PRO 34 11.096 10.274 3.485 276 HD3 PRO 34 3HD PRO 34 10.505 8.667 3.957 277 H GLY 35 H GLY 35 8.381 11.880 8.102 278 HA2 GLY 35 2HA GLY 35 8.621 14.068 8.935 279 HA3 GLY 35 3HA GLY 35 9.848 14.402 7.710 280 H ASN 36 H ASN 36 8.664 16.404 7.355 281 HA ASN 36 HA ASN 36 7.279 17.819 6.231 282 HB2 ASN 36 2HB ASN 36 6.502 15.346 4.621 283 HB3 ASN 36 3HB ASN 36 6.093 17.005 4.189 284 HD21 ASN 36 1HD2 ASN 36 7.213 16.870 2.224 285 HD22 ASN 36 2HD2 ASN 36 8.937 16.806 2.126 286 H GLY 37 H GLY 37 6.362 16.143 8.566 287 HA2 GLY 37 2HA GLY 37 4.417 16.487 9.885 288 HA3 GLY 37 3HA GLY 37 3.454 16.634 8.422 289 H CYS 38 H CYS 38 4.997 14.201 7.356 290 HA CYS 38 HA CYS 38 3.178 12.165 8.356 291 HB2 CYS 38 2HB CYS 38 5.364 11.971 6.226 292 HB3 CYS 38 3HB CYS 38 4.045 10.826 6.487 293 HA PRO 39 HA PRO 39 5.987 10.625 11.520 294 HB2 PRO 39 2HB PRO 39 4.827 7.910 10.854 295 HB3 PRO 39 3HB PRO 39 4.942 8.738 12.427 296 HG2 PRO 39 2HG PRO 39 2.606 8.613 11.190 297 HG3 PRO 39 3HG PRO 39 3.101 10.124 11.992 298 HD2 PRO 39 2HD PRO 39 3.162 9.442 9.048 299 HD3 PRO 39 3HD PRO 39 2.647 10.951 9.844 300 H LYS 40 H LYS 40 5.720 8.088 8.991 301 HA LYS 40 HA LYS 40 8.645 8.201 8.522 302 HB2 LYS 40 2HB LYS 40 8.887 5.804 8.561 303 HB3 LYS 40 3HB LYS 40 8.106 6.262 10.068 304 HG2 LYS 40 2HG LYS 40 5.920 5.536 9.177 305 HG3 LYS 40 3HG LYS 40 6.681 5.115 7.644 306 HD2 LYS 40 2HD LYS 40 6.426 3.051 8.770 307 HD3 LYS 40 3HD LYS 40 8.128 3.455 8.992 308 HE2 LYS 40 2HE LYS 40 5.940 3.915 11.051 309 HE3 LYS 40 3HE LYS 40 7.050 2.548 11.044 310 HZ1 LYS 40 1HZ LYS 40 7.795 4.206 12.586 311 HZ2 LYS 40 2HZ LYS 40 7.778 5.402 11.395 312 HZ3 LYS 40 3HZ LYS 40 8.891 4.134 11.301 313 H THR 41 H THR 41 9.037 6.680 6.424 314 HA THR 41 HA THR 41 7.521 7.498 4.239 315 HB THR 41 HB THR 41 8.970 4.822 4.522 316 HG1 THR 41 HG1 THR 41 10.645 6.300 3.395 317 HG21 THR 41 1HG2 THR 41 8.371 6.482 2.038 318 HG22 THR 41 2HG2 THR 41 7.616 4.942 2.454 319 HG23 THR 41 3HG2 THR 41 9.338 5.006 2.068 320 H GLU 42 H GLU 42 5.344 7.184 4.024 321 HA GLU 42 HA GLU 42 4.077 4.766 5.211 322 HB2 GLU 42 2HB GLU 42 2.699 7.357 4.371 323 HB3 GLU 42 3HB GLU 42 1.953 6.012 5.215 324 HG2 GLU 42 2HG GLU 42 4.115 7.809 6.353 325 HG3 GLU 42 3HG GLU 42 2.392 7.973 6.668 326 H VAL 43 H VAL 43 3.601 3.201 3.777 327 HA VAL 43 HA VAL 43 3.204 3.802 0.945 328 HB VAL 43 HB VAL 43 3.108 1.099 2.374 329 HG11 VAL 43 1HG1 VAL 43 1.848 1.065 0.259 330 HG12 VAL 43 2HG1 VAL 43 3.333 0.128 0.107 331 HG13 VAL 43 3HG1 VAL 43 3.238 1.739 -0.604 332 HG21 VAL 43 1HG2 VAL 43 5.337 2.093 2.574 333 HG22 VAL 43 2HG2 VAL 43 5.385 2.408 0.837 334 HG23 VAL 43 3HG2 VAL 43 5.384 0.749 1.431 335 H VAL 44 H VAL 44 1.271 4.718 0.606 336 HA VAL 44 HA VAL 44 -1.175 3.774 1.934 337 HB VAL 44 HB VAL 44 -0.724 6.155 0.058 338 HG11 VAL 44 1HG1 VAL 44 -3.065 5.391 0.032 339 HG12 VAL 44 2HG1 VAL 44 -2.922 6.958 0.831 340 HG13 VAL 44 3HG1 VAL 44 -3.132 5.494 1.795 341 HG21 VAL 44 1HG2 VAL 44 0.534 6.427 2.161 342 HG22 VAL 44 2HG2 VAL 44 -0.934 6.131 3.096 343 HG23 VAL 44 3HG2 VAL 44 -0.812 7.569 2.080 344 H ILE 45 H ILE 45 -2.725 2.631 0.817 345 HA ILE 45 HA ILE 45 -2.425 2.218 -2.097 346 HB ILE 45 HB ILE 45 -3.009 -0.005 -0.078 347 HG12 ILE 45 2HG1 ILE 45 -0.498 0.397 -1.760 348 HG13 ILE 45 3HG1 ILE 45 -0.605 0.709 -0.036 349 HG21 ILE 45 1HG2 ILE 45 -4.191 -0.329 -2.211 350 HG22 ILE 45 2HG2 ILE 45 -2.914 -1.528 -2.013 351 HG23 ILE 45 3HG2 ILE 45 -2.668 -0.156 -3.093 352 HD11 ILE 45 1HD1 ILE 45 0.497 -1.376 -0.466 353 HD12 ILE 45 2HD1 ILE 45 -0.883 -1.980 -1.376 354 HD13 ILE 45 3HD1 ILE 45 -1.026 -1.674 0.359 355 H TRP 46 H TRP 46 -4.295 2.790 -3.029 356 HA TRP 46 HA TRP 46 -6.911 2.506 -1.725 357 HB2 TRP 46 2HB TRP 46 -6.018 3.611 -4.439 358 HB3 TRP 46 3HB TRP 46 -7.705 3.516 -3.930 359 HD1 TRP 46 HD1 TRP 46 -4.405 5.253 -2.812 360 HE1 TRP 46 HE1 TRP 46 -5.003 7.489 -1.693 361 HE3 TRP 46 HE3 TRP 46 -9.509 4.869 -2.917 362 HZ2 TRP 46 HZ2 TRP 46 -7.324 8.920 -0.986 363 HZ3 TRP 46 HZ3 TRP 46 -10.848 6.725 -2.008 364 HH2 TRP 46 HH2 TRP 46 -9.777 8.710 -1.060 365 H THR 47 H THR 47 -7.978 0.604 -1.922 366 HA THR 47 HA THR 47 -7.225 -1.439 -3.878 367 HB THR 47 HB THR 47 -9.026 -2.781 -2.708 368 HG1 THR 47 HG1 THR 47 -9.138 -0.820 -0.724 369 HG21 THR 47 1HG2 THR 47 -7.839 -3.019 -0.556 370 HG22 THR 47 2HG2 THR 47 -6.977 -1.511 -0.855 371 HG23 THR 47 3HG2 THR 47 -6.689 -2.907 -1.897 372 H LYS 48 H LYS 48 -9.361 -2.662 -4.819 373 HA LYS 48 HA LYS 48 -10.443 -0.910 -6.800 374 HB2 LYS 48 2HB LYS 48 -11.133 -3.804 -6.149 375 HB3 LYS 48 3HB LYS 48 -11.773 -2.938 -7.542 376 HG2 LYS 48 2HG LYS 48 -8.879 -3.655 -7.018 377 HG3 LYS 48 3HG LYS 48 -9.938 -4.370 -8.226 378 HD2 LYS 48 2HD LYS 48 -8.950 -1.496 -8.206 379 HD3 LYS 48 3HD LYS 48 -8.341 -2.793 -9.230 380 HE2 LYS 48 2HE LYS 48 -10.505 -2.960 -10.366 381 HE3 LYS 48 3HE LYS 48 -11.181 -1.719 -9.300 382 HZ1 LYS 48 1HZ LYS 48 -8.932 -1.339 -11.206 383 HZ2 LYS 48 2HZ LYS 48 -9.550 -0.153 -10.166 384 HZ3 LYS 48 3HZ LYS 48 -10.517 -0.773 -11.409 385 H MET 49 H MET 49 -11.627 -2.035 -3.741 386 HA MET 49 HA MET 49 -14.274 -0.821 -4.109 387 HB2 MET 49 2HB MET 49 -14.783 -1.650 -1.860 388 HB3 MET 49 3HB MET 49 -14.130 -2.941 -2.854 389 HG2 MET 49 2HG MET 49 -11.946 -2.712 -1.693 390 HG3 MET 49 3HG MET 49 -12.621 -1.424 -0.702 391 HE1 MET 49 1HE MET 49 -13.922 -5.860 -0.440 392 HE2 MET 49 2HE MET 49 -12.629 -5.289 -1.493 393 HE3 MET 49 3HE MET 49 -14.308 -4.874 -1.849 394 H LYS 50 H LYS 50 -11.453 0.519 -3.882 395 HA LYS 50 HA LYS 50 -10.511 2.450 -3.277 396 HB2 LYS 50 2HB LYS 50 -13.431 3.136 -3.321 397 HB3 LYS 50 3HB LYS 50 -12.387 4.303 -2.523 398 HG2 LYS 50 2HG LYS 50 -12.745 4.938 -4.846 399 HG3 LYS 50 3HG LYS 50 -11.046 4.539 -4.583 400 HD2 LYS 50 2HD LYS 50 -11.800 3.634 -6.727 401 HD3 LYS 50 3HD LYS 50 -11.433 2.310 -5.621 402 HE2 LYS 50 2HE LYS 50 -13.494 1.881 -6.896 403 HE3 LYS 50 3HE LYS 50 -13.842 2.004 -5.173 404 HZ1 LYS 50 1HZ LYS 50 -15.464 3.184 -6.518 405 HZ2 LYS 50 2HZ LYS 50 -14.249 4.154 -7.180 406 HZ3 LYS 50 3HZ LYS 50 -14.608 4.263 -5.534 407 H LYS 51 H LYS 51 -11.019 0.389 -1.197 408 HA LYS 51 HA LYS 51 -11.295 1.781 1.308 409 HB2 LYS 51 2HB LYS 51 -11.793 -0.731 0.752 410 HB3 LYS 51 3HB LYS 51 -10.067 -0.996 0.907 411 HG2 LYS 51 2HG LYS 51 -11.807 0.128 3.123 412 HG3 LYS 51 3HG LYS 51 -11.480 -1.592 2.917 413 HD2 LYS 51 2HD LYS 51 -9.021 -1.081 3.176 414 HD3 LYS 51 3HD LYS 51 -9.459 0.591 3.548 415 HE2 LYS 51 2HE LYS 51 -9.102 -0.599 5.625 416 HE3 LYS 51 3HE LYS 51 -10.823 -0.253 5.482 417 HZ1 LYS 51 1HZ LYS 51 -10.405 -2.503 6.265 418 HZ2 LYS 51 2HZ LYS 51 -9.527 -2.860 4.867 419 HZ3 LYS 51 3HZ LYS 51 -11.179 -2.531 4.762 420 H VAL 52 H VAL 52 -9.719 2.846 2.306 421 HA VAL 52 HA VAL 52 -7.079 3.110 1.067 422 HB VAL 52 HB VAL 52 -8.333 4.761 3.325 423 HG11 VAL 52 1HG1 VAL 52 -5.910 5.341 1.574 424 HG12 VAL 52 2HG1 VAL 52 -5.860 4.876 3.276 425 HG13 VAL 52 3HG1 VAL 52 -6.576 6.418 2.803 426 HG21 VAL 52 1HG2 VAL 52 -8.226 5.372 0.344 427 HG22 VAL 52 2HG2 VAL 52 -8.790 6.481 1.596 428 HG23 VAL 52 3HG2 VAL 52 -9.677 4.993 1.276 429 H ILE 53 H ILE 53 -5.416 2.005 1.900 430 HA ILE 53 HA ILE 53 -5.369 1.310 4.785 431 HB ILE 53 HB ILE 53 -4.258 -0.815 4.297 432 HG12 ILE 53 2HG1 ILE 53 -4.560 -0.164 1.322 433 HG13 ILE 53 3HG1 ILE 53 -3.046 -0.172 2.214 434 HG21 ILE 53 1HG2 ILE 53 -6.116 -2.070 3.269 435 HG22 ILE 53 2HG2 ILE 53 -6.777 -0.572 2.613 436 HG23 ILE 53 3HG2 ILE 53 -6.730 -0.822 4.358 437 HD11 ILE 53 1HD1 ILE 53 -3.289 -2.579 2.586 438 HD12 ILE 53 2HD1 ILE 53 -3.271 -2.160 0.876 439 HD13 ILE 53 3HD1 ILE 53 -4.793 -2.565 1.662 440 H CYS 54 H CYS 54 -3.346 1.531 5.771 441 HA CYS 54 HA CYS 54 -1.068 2.535 4.158 442 HB2 CYS 54 2HB CYS 54 -0.457 3.904 6.211 443 HB3 CYS 54 3HB CYS 54 -1.924 4.437 5.393 444 H VAL 55 H VAL 55 0.576 1.157 4.284 445 HA VAL 55 HA VAL 55 0.801 -0.727 6.572 446 HB VAL 55 HB VAL 55 1.514 -2.506 5.022 447 HG11 VAL 55 1HG1 VAL 55 -0.858 -2.448 5.546 448 HG12 VAL 55 2HG1 VAL 55 -0.658 -2.924 3.860 449 HG13 VAL 55 3HG1 VAL 55 -1.161 -1.283 4.254 450 HG21 VAL 55 1HG2 VAL 55 1.379 -2.274 2.570 451 HG22 VAL 55 2HG2 VAL 55 2.521 -1.104 3.237 452 HG23 VAL 55 3HG2 VAL 55 0.914 -0.578 2.736 453 H ASN 56 H ASN 56 2.975 -1.649 6.783 454 HA ASN 56 HA ASN 56 5.066 0.298 6.658 455 HB2 ASN 56 2HB ASN 56 5.221 -2.683 7.304 456 HB3 ASN 56 3HB ASN 56 6.516 -1.514 7.581 457 HD21 ASN 56 1HD2 ASN 56 6.246 0.063 9.249 458 HD22 ASN 56 2HD2 ASN 56 5.075 -0.151 10.502 459 HA PRO 57 HA PRO 57 6.740 -0.573 2.564 460 HB2 PRO 57 2HB PRO 57 9.426 0.012 2.953 461 HB3 PRO 57 3HB PRO 57 8.165 1.252 2.802 462 HG2 PRO 57 2HG PRO 57 9.394 0.133 5.308 463 HG3 PRO 57 3HG PRO 57 9.055 1.827 4.882 464 HD2 PRO 57 2HD PRO 57 7.400 0.458 6.507 465 HD3 PRO 57 3HD PRO 57 6.761 1.625 5.325 466 H ARG 58 H ARG 58 7.587 -2.414 5.292 467 HA ARG 58 HA ARG 58 8.945 -4.502 3.684 468 HB2 ARG 58 2HB ARG 58 9.012 -3.910 6.672 469 HB3 ARG 58 3HB ARG 58 9.760 -5.326 5.938 470 HG2 ARG 58 2HG ARG 58 11.286 -3.906 4.656 471 HG3 ARG 58 3HG ARG 58 10.518 -2.449 5.298 472 HD2 ARG 58 2HD ARG 58 11.971 -4.546 6.956 473 HD3 ARG 58 3HD ARG 58 12.626 -2.988 6.453 474 HE ARG 58 HE ARG 58 10.159 -2.939 8.024 475 HH11 ARG 58 1HH1 ARG 58 13.669 -2.562 8.037 476 HH12 ARG 58 2HH1 ARG 58 13.680 -1.693 9.535 477 HH21 ARG 58 1HH2 ARG 58 10.198 -1.779 9.962 478 HH22 ARG 58 2HH2 ARG 58 11.715 -1.249 10.621 479 H ALA 59 H ALA 59 5.935 -3.972 4.063 480 HA ALA 59 HA ALA 59 4.927 -6.382 5.259 481 HB1 ALA 59 1HB ALA 59 3.403 -4.545 4.964 482 HB2 ALA 59 2HB ALA 59 2.847 -5.843 3.903 483 HB3 ALA 59 3HB ALA 59 3.725 -4.464 3.239 484 H LYS 60 H LYS 60 4.690 -8.426 4.334 485 HA LYS 60 HA LYS 60 6.714 -9.162 2.519 486 HB2 LYS 60 2HB LYS 60 4.400 -10.841 3.570 487 HB3 LYS 60 3HB LYS 60 5.825 -11.481 2.753 488 HG2 LYS 60 2HG LYS 60 7.262 -10.610 4.589 489 HG3 LYS 60 3HG LYS 60 5.818 -9.999 5.405 490 HD2 LYS 60 2HD LYS 60 6.472 -12.126 6.416 491 HD3 LYS 60 3HD LYS 60 4.944 -12.337 5.562 492 HE2 LYS 60 2HE LYS 60 6.124 -13.385 3.673 493 HE3 LYS 60 3HE LYS 60 7.674 -13.124 4.475 494 HZ1 LYS 60 1HZ LYS 60 6.931 -14.595 6.261 495 HZ2 LYS 60 2HZ LYS 60 6.940 -15.375 4.765 496 HZ3 LYS 60 3HZ LYS 60 5.476 -14.882 5.445 497 H TRP 61 H TRP 61 3.154 -9.200 2.073 498 HA TRP 61 HA TRP 61 3.243 -10.115 -0.626 499 HB2 TRP 61 2HB TRP 61 0.802 -9.366 -0.707 500 HB3 TRP 61 3HB TRP 61 1.213 -10.519 0.554 501 HD1 TRP 61 HD1 TRP 61 0.754 -9.822 3.036 502 HE1 TRP 61 HE1 TRP 61 -0.317 -7.779 4.160 503 HE3 TRP 61 HE3 TRP 61 0.575 -6.623 -0.980 504 HZ2 TRP 61 HZ2 TRP 61 -1.135 -5.207 3.482 505 HZ3 TRP 61 HZ3 TRP 61 -0.367 -4.373 -0.643 506 HH2 TRP 61 HH2 TRP 61 -1.204 -3.677 1.551 507 H LEU 62 H LEU 62 3.568 -6.953 0.797 508 HA LEU 62 HA LEU 62 3.047 -5.367 -1.508 509 HB2 LEU 62 2HB LEU 62 3.072 -4.397 0.731 510 HB3 LEU 62 3HB LEU 62 4.760 -4.844 0.934 511 HG LEU 62 HG LEU 62 5.329 -3.222 -0.959 512 HD11 LEU 62 1HD1 LEU 62 3.728 -1.512 -1.588 513 HD12 LEU 62 2HD1 LEU 62 2.478 -2.275 -0.608 514 HD13 LEU 62 3HD1 LEU 62 3.119 -3.104 -2.022 515 HD21 LEU 62 1HD2 LEU 62 5.190 -1.220 0.426 516 HD22 LEU 62 2HD2 LEU 62 5.695 -2.612 1.376 517 HD23 LEU 62 3HD2 LEU 62 4.037 -2.015 1.498 518 H GLN 63 H GLN 63 5.894 -7.104 -0.314 519 HA GLN 63 HA GLN 63 7.840 -6.017 -2.048 520 HB2 GLN 63 2HB GLN 63 7.726 -8.753 -0.716 521 HB3 GLN 63 3HB GLN 63 9.145 -8.105 -1.539 522 HG2 GLN 63 2HG GLN 63 9.243 -6.239 0.085 523 HG3 GLN 63 3HG GLN 63 7.829 -6.885 0.916 524 HE21 GLN 63 1HE2 GLN 63 10.535 -6.407 1.936 525 HE22 GLN 63 2HE2 GLN 63 11.099 -7.926 2.538 526 H ARG 64 H ARG 64 5.344 -8.416 -2.602 527 HA ARG 64 HA ARG 64 6.220 -9.370 -5.151 528 HB2 ARG 64 2HB ARG 64 4.499 -10.595 -3.936 529 HB3 ARG 64 3HB ARG 64 3.447 -9.187 -3.894 530 HG2 ARG 64 2HG ARG 64 3.184 -9.332 -6.374 531 HG3 ARG 64 3HG ARG 64 4.204 -10.773 -6.382 532 HD2 ARG 64 2HD ARG 64 1.527 -10.495 -4.967 533 HD3 ARG 64 3HD ARG 64 1.811 -11.349 -6.486 534 HE ARG 64 HE ARG 64 3.470 -12.342 -4.399 535 HH11 ARG 64 1HH1 ARG 64 0.162 -12.537 -5.563 536 HH12 ARG 64 2HH1 ARG 64 -0.113 -14.105 -4.871 537 HH21 ARG 64 1HH2 ARG 64 3.126 -14.394 -3.536 538 HH22 ARG 64 2HH2 ARG 64 1.573 -15.154 -3.719 539 H LEU 65 H LEU 65 4.237 -6.621 -4.087 540 HA LEU 65 HA LEU 65 3.464 -5.723 -6.699 541 HB2 LEU 65 2HB LEU 65 3.308 -4.556 -3.925 542 HB3 LEU 65 3HB LEU 65 3.004 -3.506 -5.290 543 HG LEU 65 HG LEU 65 0.904 -4.287 -4.300 544 HD11 LEU 65 1HD1 LEU 65 -0.269 -4.972 -6.276 545 HD12 LEU 65 2HD1 LEU 65 1.201 -5.557 -7.041 546 HD13 LEU 65 3HD1 LEU 65 0.987 -3.829 -6.745 547 HD21 LEU 65 1HD2 LEU 65 1.730 -7.134 -4.985 548 HD22 LEU 65 2HD2 LEU 65 0.156 -6.627 -4.367 549 HD23 LEU 65 3HD2 LEU 65 1.591 -6.451 -3.361 550 H LEU 66 H LEU 66 6.084 -4.991 -4.486 551 HA LEU 66 HA LEU 66 7.245 -2.825 -5.932 552 HB2 LEU 66 2HB LEU 66 8.538 -4.714 -3.918 553 HB3 LEU 66 3HB LEU 66 9.241 -3.211 -4.494 554 HG LEU 66 HG LEU 66 6.747 -3.483 -2.770 555 HD11 LEU 66 1HD1 LEU 66 9.472 -2.338 -2.084 556 HD12 LEU 66 2HD1 LEU 66 8.819 -3.880 -1.529 557 HD13 LEU 66 3HD1 LEU 66 8.059 -2.374 -1.026 558 HD21 LEU 66 1HD2 LEU 66 6.422 -1.593 -4.271 559 HD22 LEU 66 2HD2 LEU 66 8.007 -0.940 -3.855 560 HD23 LEU 66 3HD2 LEU 66 6.733 -1.013 -2.636 561 H ARG 67 H ARG 67 7.735 -6.339 -5.848 562 HA ARG 67 HA ARG 67 9.868 -6.558 -7.677 563 HB2 ARG 67 2HB ARG 67 9.025 -8.401 -6.148 564 HB3 ARG 67 3HB ARG 67 7.608 -8.564 -7.175 565 HG2 ARG 67 2HG ARG 67 9.083 -10.336 -7.773 566 HG3 ARG 67 3HG ARG 67 9.195 -9.163 -9.088 567 HD2 ARG 67 2HD ARG 67 11.399 -10.064 -8.460 568 HD3 ARG 67 3HD ARG 67 11.327 -8.329 -8.164 569 HE ARG 67 HE ARG 67 10.637 -9.970 -5.885 570 HH11 ARG 67 1HH1 ARG 67 13.321 -8.404 -7.525 571 HH12 ARG 67 2HH1 ARG 67 14.317 -8.388 -6.102 572 HH21 ARG 67 1HH2 ARG 67 11.959 -9.951 -4.048 573 HH22 ARG 67 2HH2 ARG 67 13.554 -9.259 -4.142 574 H HIS 68 H HIS 68 6.384 -6.399 -8.065 575 HA HIS 68 HA HIS 68 6.051 -7.175 -10.730 576 HB2 HIS 68 2HB HIS 68 4.183 -7.040 -9.175 577 HB3 HIS 68 3HB HIS 68 4.417 -5.314 -8.952 578 HD1 HIS 68 HD1 HIS 68 2.862 -3.922 -10.212 579 HD2 HIS 68 HD2 HIS 68 3.456 -7.592 -12.076 580 HE1 HIS 68 HE1 HIS 68 1.291 -3.951 -12.163 581 HE2 HIS 68 HE2 HIS 68 1.844 -6.078 -13.387 582 H VAL 69 H VAL 69 6.751 -3.996 -9.324 583 HA VAL 69 HA VAL 69 6.360 -2.597 -11.867 584 HB VAL 69 HB VAL 69 6.771 -0.503 -10.651 585 HG11 VAL 69 1HG1 VAL 69 4.854 -0.546 -9.108 586 HG12 VAL 69 2HG1 VAL 69 4.862 -2.312 -9.112 587 HG13 VAL 69 3HG1 VAL 69 4.497 -1.424 -10.595 588 HG21 VAL 69 1HG2 VAL 69 7.210 -0.427 -8.232 589 HG22 VAL 69 2HG2 VAL 69 8.520 -1.244 -9.079 590 HG23 VAL 69 3HG2 VAL 69 7.336 -2.184 -8.171 591 H GLN 70 H GLN 70 9.011 -4.116 -10.306 592 HA GLN 70 HA GLN 70 11.001 -2.422 -11.713 593 HB2 GLN 70 2HB GLN 70 12.664 -3.223 -10.138 594 HB3 GLN 70 3HB GLN 70 11.281 -2.625 -9.238 595 HG2 GLN 70 2HG GLN 70 11.414 -4.533 -8.048 596 HG3 GLN 70 3HG GLN 70 10.711 -5.327 -9.438 597 HE21 GLN 70 1HE2 GLN 70 13.263 -5.073 -10.997 598 HE22 GLN 70 2HE2 GLN 70 14.304 -6.263 -10.312 599 H SER 71 H SER 71 9.624 -5.634 -11.683 600 HA SER 71 HA SER 71 11.633 -6.582 -13.667 601 HB2 SER 71 2HB SER 71 11.612 -8.811 -12.641 602 HB3 SER 71 3HB SER 71 12.054 -7.624 -11.416 603 HG SER 71 HG SER 71 9.390 -7.948 -11.419 604 H LYS 72 H LYS 72 10.327 -9.112 -14.090 605 HA LYS 72 HA LYS 72 8.494 -8.513 -16.106 606 HB2 LYS 72 2HB LYS 72 8.101 -10.972 -16.192 607 HB3 LYS 72 3HB LYS 72 9.811 -10.575 -16.097 608 HG2 LYS 72 2HG LYS 72 9.877 -11.177 -13.733 609 HG3 LYS 72 3HG LYS 72 8.133 -11.464 -13.725 610 HD2 LYS 72 2HD LYS 72 8.427 -13.339 -15.319 611 HD3 LYS 72 3HD LYS 72 10.169 -13.039 -15.364 612 HE2 LYS 72 2HE LYS 72 10.330 -13.585 -12.956 613 HE3 LYS 72 3HE LYS 72 8.588 -13.865 -12.898 614 HZ1 LYS 72 1HZ LYS 72 10.543 -15.412 -14.515 615 HZ2 LYS 72 2HZ LYS 72 8.876 -15.678 -14.483 616 HZ3 LYS 72 3HZ LYS 72 9.801 -15.932 -13.093 617 H SER 73 H SER 73 6.242 -9.425 -16.276 618 HA SER 73 HA SER 73 4.615 -9.182 -13.829 619 HB2 SER 73 2HB SER 73 4.834 -6.858 -14.619 620 HB3 SER 73 3HB SER 73 4.329 -7.333 -16.244 621 HG SER 73 HG SER 73 2.329 -7.218 -15.610 622 H LEU 74 H LEU 74 2.474 -9.968 -14.081 623 HA LEU 74 HA LEU 74 2.049 -11.905 -16.216 624 HB2 LEU 74 2HB LEU 74 0.295 -11.195 -13.811 625 HB3 LEU 74 3HB LEU 74 -0.031 -12.490 -14.944 626 HG LEU 74 HG LEU 74 0.836 -13.536 -12.988 627 HD11 LEU 74 1HD1 LEU 74 2.792 -14.724 -13.725 628 HD12 LEU 74 2HD1 LEU 74 3.196 -13.462 -14.885 629 HD13 LEU 74 3HD1 LEU 74 1.742 -14.437 -15.113 630 HD21 LEU 74 1HD2 LEU 74 2.967 -12.954 -11.878 631 HD22 LEU 74 2HD2 LEU 74 1.823 -11.615 -11.847 632 HD23 LEU 74 3HD2 LEU 74 3.172 -11.590 -12.982 633 H SER 75 H SER 75 1.507 -10.963 -18.086 634 HA SER 75 HA SER 75 -0.125 -8.650 -18.418 635 HB2 SER 75 2HB SER 75 0.720 -10.770 -20.441 636 HB3 SER 75 3HB SER 75 0.009 -9.206 -20.848 637 HG SER 75 HG SER 75 2.150 -8.946 -19.191 638 H SER 76 H SER 76 -2.266 -8.672 -18.012 639 HA SER 76 HA SER 76 -3.902 -11.045 -18.034 640 HB2 SER 76 2HB SER 76 -4.733 -8.118 -17.769 641 HB3 SER 76 3HB SER 76 -5.703 -9.526 -17.325 642 HG SER 76 HG SER 76 -3.541 -9.898 -16.012 643 H THR 77 H THR 77 -5.904 -11.186 -19.320 644 HA THR 77 HA THR 77 -5.458 -11.154 -22.089 645 HB THR 77 HB THR 77 -7.895 -11.796 -22.256 646 HG1 THR 77 HG1 THR 77 -8.522 -10.440 -20.392 647 HG21 THR 77 1HG2 THR 77 -6.203 -13.555 -21.760 648 HG22 THR 77 2HG2 THR 77 -7.739 -13.899 -20.961 649 HG23 THR 77 3HG2 THR 77 -6.393 -13.244 -20.031 650 HA PRO 78 HA PRO 78 -6.109 -6.858 -23.082 651 HB2 PRO 78 2HB PRO 78 -6.993 -7.095 -25.744 652 HB3 PRO 78 3HB PRO 78 -5.300 -7.175 -25.226 653 HG2 PRO 78 2HG PRO 78 -7.197 -9.423 -25.802 654 HG3 PRO 78 3HG PRO 78 -5.481 -9.257 -26.255 655 HD2 PRO 78 2HD PRO 78 -6.190 -10.802 -24.184 656 HD3 PRO 78 3HD PRO 78 -4.720 -9.807 -24.099 657 H GLN 79 H GLN 79 -7.688 -5.988 -21.955 658 HA GLN 79 HA GLN 79 -10.488 -6.757 -22.288 659 HB2 GLN 79 2HB GLN 79 -9.569 -6.693 -20.008 660 HB3 GLN 79 3HB GLN 79 -9.083 -5.016 -20.214 661 HG2 GLN 79 2HG GLN 79 -11.115 -5.229 -18.824 662 HG3 GLN 79 3HG GLN 79 -11.430 -4.306 -20.293 663 HE21 GLN 79 1HE2 GLN 79 -11.996 -7.329 -18.631 664 HE22 GLN 79 2HE2 GLN 79 -13.321 -7.853 -19.610 665 H ALA 80 H ALA 80 -11.911 -5.537 -23.338 666 HA ALA 80 HA ALA 80 -11.236 -2.766 -24.148 667 HB1 ALA 80 1HB ALA 80 -12.515 -3.193 -26.220 668 HB2 ALA 80 2HB ALA 80 -12.787 -4.864 -25.718 669 HB3 ALA 80 3HB ALA 80 -11.151 -4.301 -26.074 670 HA PRO 81 HA PRO 81 -15.087 -2.039 -21.648 671 HB2 PRO 81 2HB PRO 81 -14.256 0.774 -22.397 672 HB3 PRO 81 3HB PRO 81 -14.763 0.126 -20.819 673 HG2 PRO 81 2HG PRO 81 -12.203 0.656 -21.264 674 HG3 PRO 81 3HG PRO 81 -12.659 -0.820 -20.375 675 HD2 PRO 81 2HD PRO 81 -11.805 -0.538 -23.262 676 HD3 PRO 81 3HD PRO 81 -11.357 -1.780 -22.067 677 H VAL 82 H VAL 82 -17.168 -1.262 -22.298 678 HA VAL 82 HA VAL 82 -17.626 -1.431 -25.188 679 HB VAL 82 HB VAL 82 -19.663 -1.291 -22.906 680 HG11 VAL 82 1HG1 VAL 82 -20.086 -1.973 -25.847 681 HG12 VAL 82 2HG1 VAL 82 -20.626 -0.500 -25.038 682 HG13 VAL 82 3HG1 VAL 82 -21.313 -2.057 -24.582 683 HG21 VAL 82 1HG2 VAL 82 -18.328 -3.348 -22.758 684 HG22 VAL 82 2HG2 VAL 82 -18.648 -3.706 -24.454 685 HG23 VAL 82 3HG2 VAL 82 -19.969 -3.727 -23.283 686 H SER 83 H SER 83 -17.899 0.342 -26.408 687 HA SER 83 HA SER 83 -17.987 2.996 -25.272 688 HB2 SER 83 2HB SER 83 -16.665 2.458 -27.329 689 HB3 SER 83 3HB SER 83 -18.164 2.120 -28.192 690 HG SER 83 HG SER 83 -17.371 4.596 -27.047 691 H LYS 84 H LYS 84 -19.671 4.585 -25.882 692 HA LYS 84 HA LYS 84 -22.259 3.761 -25.165 693 HB2 LYS 84 2HB LYS 84 -21.370 6.072 -24.834 694 HB3 LYS 84 3HB LYS 84 -21.436 6.343 -26.574 695 HG2 LYS 84 2HG LYS 84 -23.892 6.109 -26.537 696 HG3 LYS 84 3HG LYS 84 -23.841 5.751 -24.812 697 HD2 LYS 84 2HD LYS 84 -24.444 8.011 -24.801 698 HD3 LYS 84 3HD LYS 84 -22.695 8.114 -24.606 699 HE2 LYS 84 2HE LYS 84 -24.232 8.519 -27.201 700 HE3 LYS 84 3HE LYS 84 -23.519 9.781 -26.205 701 HZ1 LYS 84 1HZ LYS 84 -22.065 7.695 -27.724 702 HZ2 LYS 84 2HZ LYS 84 -21.329 8.771 -26.654 703 HZ3 LYS 84 3HZ LYS 84 -22.097 9.356 -28.035 704 H ARG 85 H ARG 85 -23.796 2.799 -26.372 705 HA ARG 85 HA ARG 85 -23.500 1.924 -28.964 706 HB2 ARG 85 2HB ARG 85 -25.832 1.192 -28.899 707 HB3 ARG 85 3HB ARG 85 -25.047 0.876 -27.364 708 HG2 ARG 85 2HG ARG 85 -26.981 1.713 -26.485 709 HG3 ARG 85 3HG ARG 85 -26.243 3.286 -26.783 710 HD2 ARG 85 2HD ARG 85 -28.545 3.242 -27.598 711 HD3 ARG 85 3HD ARG 85 -27.432 3.404 -28.963 712 HE ARG 85 HE ARG 85 -27.989 0.672 -28.511 713 HH11 ARG 85 1HH1 ARG 85 -29.603 3.530 -29.753 714 HH12 ARG 85 2HH1 ARG 85 -30.669 2.637 -30.787 715 HH21 ARG 85 1HH2 ARG 85 -29.341 -0.505 -29.859 716 HH22 ARG 85 2HH2 ARG 85 -30.514 0.314 -30.846 717 H ARG 86 H ARG 86 -23.760 2.780 -30.915 718 HA ARG 86 HA ARG 86 -24.694 5.583 -31.137 719 HB2 ARG 86 2HB ARG 86 -22.207 5.047 -31.469 720 HB3 ARG 86 3HB ARG 86 -22.656 4.168 -32.928 721 HG2 ARG 86 2HG ARG 86 -23.629 6.288 -33.861 722 HG3 ARG 86 3HG ARG 86 -23.091 7.136 -32.407 723 HD2 ARG 86 2HD ARG 86 -21.273 5.731 -34.398 724 HD3 ARG 86 3HD ARG 86 -21.542 7.472 -34.285 725 HE ARG 86 HE ARG 86 -20.539 6.167 -31.874 726 HH11 ARG 86 1HH1 ARG 86 -19.683 8.022 -34.753 727 HH12 ARG 86 2HH1 ARG 86 -18.143 8.509 -34.114 728 HH21 ARG 86 1HH2 ARG 86 -18.494 6.773 -31.090 729 HH22 ARG 86 2HH2 ARG 86 -17.469 7.800 -32.040 730 H ALA 87 H ALA 87 -26.680 5.555 -32.020 731 HA ALA 87 HA ALA 87 -27.663 3.667 -33.930 732 HB1 ALA 87 1HB ALA 87 -29.195 4.885 -32.429 733 HB2 ALA 87 2HB ALA 87 -29.598 5.226 -34.113 734 HB3 ALA 87 3HB ALA 87 -28.717 6.421 -33.158 735 H ALA 88 H ALA 88 -26.058 3.639 -35.524 736 HA ALA 88 HA ALA 88 -25.679 6.044 -37.218 737 HB1 ALA 88 1HB ALA 88 -23.502 4.129 -36.268 738 HB2 ALA 88 2HB ALA 88 -23.731 5.792 -35.727 739 HB3 ALA 88 3HB ALA 88 -23.275 5.467 -37.399 Start of MODEL 16 1 H1 ILE 1 1H ILE 1 -9.187 25.184 30.108 2 H2 ILE 1 2H ILE 1 -9.405 23.901 29.028 3 H3 ILE 1 3H ILE 1 -9.893 25.463 28.600 4 HA ILE 1 HA ILE 1 -7.678 26.243 28.564 5 HB ILE 1 HB ILE 1 -5.766 24.608 28.807 6 HG12 ILE 1 2HG1 ILE 1 -7.909 22.736 29.945 7 HG13 ILE 1 3HG1 ILE 1 -7.009 22.487 28.454 8 HG21 ILE 1 1HG2 ILE 1 -7.448 24.973 31.315 9 HG22 ILE 1 2HG2 ILE 1 -6.304 26.143 30.650 10 HG23 ILE 1 3HG2 ILE 1 -5.722 24.599 31.270 11 HD11 ILE 1 1HD1 ILE 1 -5.851 22.465 31.249 12 HD12 ILE 1 2HD1 ILE 1 -4.927 22.267 29.754 13 HD13 ILE 1 3HD1 ILE 1 -6.144 21.075 30.205 14 H LEU 2 H LEU 2 -6.574 26.223 26.617 15 HA LEU 2 HA LEU 2 -6.794 24.091 24.691 16 HB2 LEU 2 2HB LEU 2 -7.889 25.331 22.907 17 HB3 LEU 2 3HB LEU 2 -8.966 25.229 24.281 18 HG LEU 2 HG LEU 2 -7.357 27.752 23.649 19 HD11 LEU 2 1HD1 LEU 2 -8.788 27.284 21.731 20 HD12 LEU 2 2HD1 LEU 2 -9.364 28.692 22.613 21 HD13 LEU 2 3HD1 LEU 2 -10.201 27.147 22.784 22 HD21 LEU 2 1HD2 LEU 2 -9.013 28.907 25.056 23 HD22 LEU 2 2HD2 LEU 2 -8.188 27.645 25.964 24 HD23 LEU 2 3HD2 LEU 2 -9.829 27.374 25.381 25 H GLU 3 H GLU 3 -5.016 24.106 23.420 26 HA GLU 3 HA GLU 3 -2.917 26.032 23.980 27 HB2 GLU 3 2HB GLU 3 -2.920 23.599 22.128 28 HB3 GLU 3 3HB GLU 3 -1.492 24.505 22.634 29 HG2 GLU 3 2HG GLU 3 -1.971 23.856 25.002 30 HG3 GLU 3 3HG GLU 3 -3.325 22.885 24.435 31 H ALA 4 H ALA 4 -1.726 27.104 22.288 32 HA ALA 4 HA ALA 4 -3.440 28.322 20.289 33 HB1 ALA 4 1HB ALA 4 -1.542 29.875 19.930 34 HB2 ALA 4 2HB ALA 4 -0.536 28.899 21.002 35 HB3 ALA 4 3HB ALA 4 -1.943 29.744 21.645 36 H HIS 5 H HIS 5 -3.597 26.091 19.277 37 HA HIS 5 HA HIS 5 -1.450 25.531 17.328 38 HB2 HIS 5 2HB HIS 5 -2.644 23.398 16.875 39 HB3 HIS 5 3HB HIS 5 -2.256 23.550 18.582 40 HD1 HIS 5 HD1 HIS 5 -5.138 23.461 16.188 41 HD2 HIS 5 HD2 HIS 5 -4.524 23.743 20.283 42 HE1 HIS 5 HE1 HIS 5 -7.381 23.075 17.229 43 HE2 HIS 5 HE2 HIS 5 -7.001 23.528 19.674 44 H TYR 6 H TYR 6 -1.656 26.402 15.392 45 HA TYR 6 HA TYR 6 -4.251 27.398 14.410 46 HB2 TYR 6 2HB TYR 6 -2.348 28.981 14.401 47 HB3 TYR 6 3HB TYR 6 -1.403 27.883 13.402 48 HD1 TYR 6 HD1 TYR 6 -1.340 28.399 11.065 49 HD2 TYR 6 HD2 TYR 6 -4.758 29.610 13.347 50 HE1 TYR 6 HE1 TYR 6 -2.281 29.510 9.081 51 HE2 TYR 6 HE2 TYR 6 -5.691 30.716 11.360 52 HH TYR 6 HH TYR 6 -4.372 30.274 8.201 53 H THR 7 H THR 7 -1.685 25.099 13.705 54 HA THR 7 HA THR 7 -3.241 23.794 11.615 55 HB THR 7 HB THR 7 -2.112 25.457 10.277 56 HG1 THR 7 HG1 THR 7 -1.513 24.027 8.874 57 HG21 THR 7 1HG2 THR 7 0.503 24.662 11.621 58 HG22 THR 7 2HG2 THR 7 -0.363 26.184 11.842 59 HG23 THR 7 3HG2 THR 7 0.340 25.795 10.272 60 H ASN 8 H ASN 8 -2.679 21.691 11.334 61 HA ASN 8 HA ASN 8 -0.491 20.486 12.935 62 HB2 ASN 8 2HB ASN 8 -2.663 20.043 14.044 63 HB3 ASN 8 3HB ASN 8 -3.361 19.491 12.525 64 HD21 ASN 8 1HD2 ASN 8 -3.916 17.507 13.512 65 HD22 ASN 8 2HD2 ASN 8 -2.737 16.278 13.802 66 H LEU 9 H LEU 9 0.951 19.673 11.446 67 HA LEU 9 HA LEU 9 -0.116 18.475 8.952 68 HB2 LEU 9 2HB LEU 9 2.209 18.810 7.988 69 HB3 LEU 9 3HB LEU 9 1.248 20.242 8.257 70 HG LEU 9 HG LEU 9 2.649 20.666 10.370 71 HD11 LEU 9 1HD1 LEU 9 4.488 18.574 9.174 72 HD12 LEU 9 2HD1 LEU 9 3.642 18.469 10.717 73 HD13 LEU 9 3HD1 LEU 9 4.896 19.681 10.489 74 HD21 LEU 9 1HD2 LEU 9 4.486 21.696 9.114 75 HD22 LEU 9 2HD2 LEU 9 2.940 21.948 8.309 76 HD23 LEU 9 3HD2 LEU 9 4.067 20.738 7.690 77 H LYS 10 H LYS 10 0.195 16.485 8.492 78 HA LYS 10 HA LYS 10 2.354 14.825 8.999 79 HB2 LYS 10 2HB LYS 10 1.433 13.169 10.617 80 HB3 LYS 10 3HB LYS 10 1.593 14.754 11.364 81 HG2 LYS 10 2HG LYS 10 -0.841 15.144 11.072 82 HG3 LYS 10 3HG LYS 10 -0.997 13.535 10.347 83 HD2 LYS 10 2HD LYS 10 -0.184 12.510 12.471 84 HD3 LYS 10 3HD LYS 10 -0.040 14.118 13.184 85 HE2 LYS 10 2HE LYS 10 -2.482 14.425 12.984 86 HE3 LYS 10 3HE LYS 10 -2.627 12.820 12.258 87 HZ1 LYS 10 1HZ LYS 10 -3.133 12.815 14.635 88 HZ2 LYS 10 2HZ LYS 10 -1.569 13.356 14.982 89 HZ3 LYS 10 3HZ LYS 10 -1.801 11.843 14.272 90 H CYS 11 H CYS 11 1.613 12.437 8.527 91 HA CYS 11 HA CYS 11 0.177 12.491 6.010 92 HB2 CYS 11 2HB CYS 11 1.339 10.064 7.449 93 HB3 CYS 11 3HB CYS 11 1.060 10.267 5.716 94 H ARG 12 H ARG 12 -2.006 12.152 5.899 95 HA ARG 12 HA ARG 12 -3.520 11.039 8.108 96 HB2 ARG 12 2HB ARG 12 -4.374 11.913 5.319 97 HB3 ARG 12 3HB ARG 12 -5.493 11.332 6.555 98 HG2 ARG 12 2HG ARG 12 -4.818 13.229 8.024 99 HG3 ARG 12 3HG ARG 12 -3.768 13.835 6.735 100 HD2 ARG 12 2HD ARG 12 -6.786 13.506 6.600 101 HD3 ARG 12 3HD ARG 12 -5.910 15.033 6.735 102 HE ARG 12 HE ARG 12 -4.946 14.537 4.503 103 HH11 ARG 12 1HH1 ARG 12 -7.974 12.949 5.363 104 HH12 ARG 12 2HH1 ARG 12 -8.456 12.727 3.712 105 HH21 ARG 12 1HH2 ARG 12 -5.574 14.193 2.351 106 HH22 ARG 12 2HH2 ARG 12 -7.091 13.426 2.005 107 H CYS 13 H CYS 13 -4.505 9.042 8.148 108 HA CYS 13 HA CYS 13 -3.880 7.053 6.093 109 HB2 CYS 13 2HB CYS 13 -1.874 7.032 7.495 110 HB3 CYS 13 3HB CYS 13 -2.840 6.949 8.961 111 H SER 14 H SER 14 -5.161 5.239 6.184 112 HA SER 14 HA SER 14 -7.662 5.393 7.647 113 HB2 SER 14 2HB SER 14 -7.649 4.739 5.273 114 HB3 SER 14 3HB SER 14 -6.613 3.357 5.629 115 HG SER 14 HG SER 14 -8.966 2.991 5.436 116 H GLY 15 H GLY 15 -4.644 3.719 7.814 117 HA2 GLY 15 2HA GLY 15 -4.008 2.638 9.942 118 HA3 GLY 15 3HA GLY 15 -5.582 1.843 9.919 119 H VAL 16 H VAL 16 -3.692 0.070 10.090 120 HA VAL 16 HA VAL 16 -2.674 -0.665 7.408 121 HB VAL 16 HB VAL 16 -0.979 -2.048 8.511 122 HG11 VAL 16 1HG1 VAL 16 -1.062 0.741 9.737 123 HG12 VAL 16 2HG1 VAL 16 -0.421 0.317 8.148 124 HG13 VAL 16 3HG1 VAL 16 0.373 -0.284 9.605 125 HG21 VAL 16 1HG2 VAL 16 -2.268 -2.815 10.482 126 HG22 VAL 16 2HG2 VAL 16 -2.156 -1.208 11.200 127 HG23 VAL 16 3HG2 VAL 16 -0.699 -2.172 10.960 128 H ILE 17 H ILE 17 -2.918 -2.737 6.604 129 HA ILE 17 HA ILE 17 -5.283 -4.177 7.482 130 HB ILE 17 HB ILE 17 -4.986 -5.621 5.465 131 HG12 ILE 17 2HG1 ILE 17 -3.185 -4.559 3.698 132 HG13 ILE 17 3HG1 ILE 17 -2.315 -4.212 5.174 133 HG21 ILE 17 1HG2 ILE 17 -5.472 -3.883 3.765 134 HG22 ILE 17 2HG2 ILE 17 -4.862 -2.642 4.861 135 HG23 ILE 17 3HG2 ILE 17 -6.301 -3.567 5.294 136 HD11 ILE 17 1HD1 ILE 17 -3.174 -6.930 4.226 137 HD12 ILE 17 2HD1 ILE 17 -2.318 -6.593 5.736 138 HD13 ILE 17 3HD1 ILE 17 -1.547 -6.255 4.186 139 H SER 18 H SER 18 -5.321 -5.932 8.704 140 HA SER 18 HA SER 18 -2.902 -7.276 9.609 141 HB2 SER 18 2HB SER 18 -5.838 -7.843 10.260 142 HB3 SER 18 3HB SER 18 -4.439 -8.549 11.076 143 HG SER 18 HG SER 18 -3.838 -6.345 11.600 144 H THR 19 H THR 19 -5.857 -8.128 7.799 145 HA THR 19 HA THR 19 -4.857 -10.728 6.949 146 HB THR 19 HB THR 19 -7.049 -10.796 5.654 147 HG1 THR 19 HG1 THR 19 -7.067 -8.292 5.710 148 HG21 THR 19 1HG2 THR 19 -8.527 -10.949 7.637 149 HG22 THR 19 2HG2 THR 19 -7.320 -10.099 8.600 150 HG23 THR 19 3HG2 THR 19 -6.956 -11.700 7.955 151 H VAL 20 H VAL 20 -3.572 -10.956 5.211 152 HA VAL 20 HA VAL 20 -2.604 -8.900 3.643 153 HB VAL 20 HB VAL 20 -1.386 -11.021 3.887 154 HG11 VAL 20 1HG1 VAL 20 -3.429 -12.273 2.010 155 HG12 VAL 20 2HG1 VAL 20 -3.164 -12.702 3.697 156 HG13 VAL 20 3HG1 VAL 20 -1.914 -13.034 2.501 157 HG21 VAL 20 1HG2 VAL 20 -0.751 -9.500 2.061 158 HG22 VAL 20 2HG2 VAL 20 -1.887 -10.296 0.971 159 HG23 VAL 20 3HG2 VAL 20 -0.481 -11.174 1.574 160 H VAL 21 H VAL 21 -3.605 -7.651 2.247 161 HA VAL 21 HA VAL 21 -6.076 -8.296 0.938 162 HB VAL 21 HB VAL 21 -5.580 -5.999 1.669 163 HG11 VAL 21 1HG1 VAL 21 -3.167 -5.911 1.301 164 HG12 VAL 21 2HG1 VAL 21 -3.945 -4.565 0.466 165 HG13 VAL 21 3HG1 VAL 21 -3.403 -5.971 -0.448 166 HG21 VAL 21 1HG2 VAL 21 -7.212 -6.277 -0.147 167 HG22 VAL 21 2HG2 VAL 21 -5.926 -6.181 -1.350 168 HG23 VAL 21 3HG2 VAL 21 -6.320 -4.772 -0.363 169 H GLY 22 H GLY 22 -6.446 -8.752 -1.253 170 HA2 GLY 22 2HA GLY 22 -4.545 -10.364 -2.584 171 HA3 GLY 22 3HA GLY 22 -6.091 -9.841 -3.226 172 H LEU 23 H LEU 23 -3.051 -9.904 -4.068 173 HA LEU 23 HA LEU 23 -2.212 -7.319 -4.798 174 HB2 LEU 23 2HB LEU 23 -0.971 -9.636 -4.832 175 HB3 LEU 23 3HB LEU 23 -1.621 -9.808 -6.448 176 HG LEU 23 HG LEU 23 0.206 -7.518 -5.610 177 HD11 LEU 23 1HD1 LEU 23 1.040 -10.106 -6.961 178 HD12 LEU 23 2HD1 LEU 23 1.438 -9.601 -5.319 179 HD13 LEU 23 3HD1 LEU 23 2.070 -8.694 -6.685 180 HD21 LEU 23 1HD2 LEU 23 -0.534 -8.468 -8.392 181 HD22 LEU 23 2HD2 LEU 23 0.630 -7.194 -8.017 182 HD23 LEU 23 3HD2 LEU 23 -1.071 -6.978 -7.615 183 H ASN 24 H ASN 24 -4.449 -9.555 -6.287 184 HA ASN 24 HA ASN 24 -4.777 -8.338 -8.821 185 HB2 ASN 24 2HB ASN 24 -5.387 -10.677 -8.362 186 HB3 ASN 24 3HB ASN 24 -6.620 -10.170 -7.217 187 HD21 ASN 24 1HD2 ASN 24 -8.563 -9.330 -8.000 188 HD22 ASN 24 2HD2 ASN 24 -9.034 -9.476 -9.654 189 H ILE 25 H ILE 25 -6.285 -7.716 -5.648 190 HA ILE 25 HA ILE 25 -8.285 -5.914 -6.900 191 HB ILE 25 HB ILE 25 -9.493 -5.852 -4.781 192 HG12 ILE 25 2HG1 ILE 25 -7.430 -7.777 -3.607 193 HG13 ILE 25 3HG1 ILE 25 -7.530 -6.065 -3.216 194 HG21 ILE 25 1HG2 ILE 25 -10.283 -8.185 -4.693 195 HG22 ILE 25 2HG2 ILE 25 -8.843 -8.717 -5.563 196 HG23 ILE 25 3HG2 ILE 25 -10.018 -7.668 -6.359 197 HD11 ILE 25 1HD1 ILE 25 -9.641 -8.151 -2.634 198 HD12 ILE 25 2HD1 ILE 25 -9.777 -6.424 -2.278 199 HD13 ILE 25 3HD1 ILE 25 -8.545 -7.397 -1.478 200 H ILE 26 H ILE 26 -5.248 -5.460 -6.238 201 HA ILE 26 HA ILE 26 -5.343 -2.900 -4.877 202 HB ILE 26 HB ILE 26 -3.160 -4.123 -6.634 203 HG12 ILE 26 2HG1 ILE 26 -3.572 -5.497 -4.611 204 HG13 ILE 26 3HG1 ILE 26 -1.996 -4.729 -4.529 205 HG21 ILE 26 1HG2 ILE 26 -1.630 -2.446 -5.619 206 HG22 ILE 26 2HG2 ILE 26 -3.002 -1.712 -4.788 207 HG23 ILE 26 3HG2 ILE 26 -2.922 -1.687 -6.549 208 HD11 ILE 26 1HD1 ILE 26 -3.053 -3.014 -3.004 209 HD12 ILE 26 2HD1 ILE 26 -2.929 -4.657 -2.387 210 HD13 ILE 26 3HD1 ILE 26 -4.477 -4.064 -2.970 211 H ASP 27 H ASP 27 -5.835 -0.986 -5.811 212 HA ASP 27 HA ASP 27 -6.460 -0.816 -8.684 213 HB2 ASP 27 2HB ASP 27 -8.173 -0.059 -7.119 214 HB3 ASP 27 3HB ASP 27 -7.057 1.045 -6.344 215 H ARG 28 H ARG 28 -4.721 1.068 -6.186 216 HA ARG 28 HA ARG 28 -2.662 1.943 -8.054 217 HB2 ARG 28 2HB ARG 28 -4.101 3.652 -8.773 218 HB3 ARG 28 3HB ARG 28 -4.966 3.736 -7.257 219 HG2 ARG 28 2HG ARG 28 -3.020 4.956 -6.248 220 HG3 ARG 28 3HG ARG 28 -2.225 4.935 -7.827 221 HD2 ARG 28 2HD ARG 28 -3.889 6.363 -8.785 222 HD3 ARG 28 3HD ARG 28 -4.985 6.122 -7.429 223 HE ARG 28 HE ARG 28 -2.435 7.570 -7.140 224 HH11 ARG 28 1HH1 ARG 28 -5.932 7.470 -6.718 225 HH12 ARG 28 2HH1 ARG 28 -5.988 8.955 -5.826 226 HH21 ARG 28 1HH2 ARG 28 -2.517 9.508 -5.969 227 HH22 ARG 28 2HH2 ARG 28 -4.039 10.117 -5.409 228 H ILE 29 H ILE 29 -0.852 2.660 -7.013 229 HA ILE 29 HA ILE 29 -0.771 2.464 -4.053 230 HB ILE 29 HB ILE 29 1.524 2.163 -6.056 231 HG12 ILE 29 2HG1 ILE 29 0.076 -0.082 -4.577 232 HG13 ILE 29 3HG1 ILE 29 -0.193 0.325 -6.267 233 HG21 ILE 29 1HG2 ILE 29 2.821 1.239 -4.165 234 HG22 ILE 29 2HG2 ILE 29 1.460 1.528 -3.082 235 HG23 ILE 29 3HG2 ILE 29 2.296 2.889 -3.829 236 HD11 ILE 29 1HD1 ILE 29 2.363 -0.732 -5.055 237 HD12 ILE 29 2HD1 ILE 29 2.187 -0.197 -6.729 238 HD13 ILE 29 3HD1 ILE 29 1.251 -1.566 -6.143 239 H GLN 30 H GLN 30 -0.064 4.233 -2.922 240 HA GLN 30 HA GLN 30 1.523 6.323 -4.251 241 HB2 GLN 30 2HB GLN 30 0.261 8.121 -3.040 242 HB3 GLN 30 3HB GLN 30 -0.720 7.279 -4.233 243 HG2 GLN 30 2HG GLN 30 -1.812 5.983 -2.448 244 HG3 GLN 30 3HG GLN 30 -0.808 6.781 -1.242 245 HE21 GLN 30 1HE2 GLN 30 -3.678 6.718 -1.338 246 HE22 GLN 30 2HE2 GLN 30 -4.205 8.357 -1.462 247 H VAL 31 H VAL 31 3.416 6.314 -3.236 248 HA VAL 31 HA VAL 31 3.647 5.285 -0.493 249 HB VAL 31 HB VAL 31 5.830 5.943 -2.523 250 HG11 VAL 31 1HG1 VAL 31 6.093 4.693 0.246 251 HG12 VAL 31 2HG1 VAL 31 6.687 6.280 -0.242 252 HG13 VAL 31 3HG1 VAL 31 7.399 4.825 -0.938 253 HG21 VAL 31 1HG2 VAL 31 6.157 3.480 -2.666 254 HG22 VAL 31 2HG2 VAL 31 4.536 3.941 -3.180 255 HG23 VAL 31 3HG2 VAL 31 4.785 3.237 -1.583 256 H THR 32 H THR 32 3.689 6.694 1.147 257 HA THR 32 HA THR 32 4.250 9.517 0.848 258 HB THR 32 HB THR 32 3.649 7.945 3.395 259 HG1 THR 32 HG1 THR 32 1.702 7.788 2.631 260 HG21 THR 32 1HG2 THR 32 3.342 10.911 2.768 261 HG22 THR 32 2HG2 THR 32 4.587 10.205 3.805 262 HG23 THR 32 3HG2 THR 32 2.890 10.125 4.278 263 HA PRO 33 HA PRO 33 8.627 8.446 1.688 264 HB2 PRO 33 2HB PRO 33 9.228 11.305 1.146 265 HB3 PRO 33 3HB PRO 33 9.713 9.866 0.225 266 HG2 PRO 33 2HG PRO 33 7.918 11.627 -0.751 267 HG3 PRO 33 3HG PRO 33 7.807 9.884 -1.096 268 HD2 PRO 33 2HD PRO 33 6.280 11.492 0.965 269 HD3 PRO 33 3HD PRO 33 5.673 10.286 -0.197 270 HA PRO 34 HA PRO 34 9.158 9.950 5.894 271 HB2 PRO 34 2HB PRO 34 11.796 9.442 6.357 272 HB3 PRO 34 3HB PRO 34 10.619 8.128 6.138 273 HG2 PRO 34 2HG PRO 34 12.536 9.279 4.116 274 HG3 PRO 34 3HG PRO 34 12.182 7.573 4.479 275 HD2 PRO 34 2HD PRO 34 11.031 8.884 2.371 276 HD3 PRO 34 3HD PRO 34 10.207 7.570 3.242 277 H GLY 35 H GLY 35 10.363 11.561 7.212 278 HA2 GLY 35 2HA GLY 35 11.372 13.603 7.588 279 HA3 GLY 35 3HA GLY 35 11.840 13.687 5.899 280 H ASN 36 H ASN 36 9.513 13.575 4.546 281 HA ASN 36 HA ASN 36 8.500 16.233 4.772 282 HB2 ASN 36 2HB ASN 36 8.786 15.117 2.588 283 HB3 ASN 36 3HB ASN 36 7.609 13.889 3.033 284 HD21 ASN 36 1HD2 ASN 36 5.392 14.430 3.025 285 HD22 ASN 36 2HD2 ASN 36 4.796 15.862 2.268 286 H GLY 37 H GLY 37 7.548 16.373 6.834 287 HA2 GLY 37 2HA GLY 37 5.676 16.696 8.138 288 HA3 GLY 37 3HA GLY 37 4.721 15.813 6.967 289 H CYS 38 H CYS 38 6.831 13.531 7.376 290 HA CYS 38 HA CYS 38 6.003 12.469 9.988 291 HB2 CYS 38 2HB CYS 38 5.701 10.997 7.320 292 HB3 CYS 38 3HB CYS 38 5.485 10.252 8.903 293 HA PRO 39 HA PRO 39 10.422 11.318 9.773 294 HB2 PRO 39 2HB PRO 39 10.668 10.057 12.171 295 HB3 PRO 39 3HB PRO 39 10.409 11.816 12.085 296 HG2 PRO 39 2HG PRO 39 8.370 9.650 12.578 297 HG3 PRO 39 3HG PRO 39 8.622 11.171 13.471 298 HD2 PRO 39 2HD PRO 39 6.700 10.935 11.539 299 HD3 PRO 39 3HD PRO 39 7.544 12.466 11.847 300 H LYS 40 H LYS 40 7.731 9.223 9.704 301 HA LYS 40 HA LYS 40 9.371 6.814 9.162 302 HB2 LYS 40 2HB LYS 40 6.539 7.027 10.290 303 HB3 LYS 40 3HB LYS 40 7.303 5.510 9.835 304 HG2 LYS 40 2HG LYS 40 8.485 7.334 11.962 305 HG3 LYS 40 3HG LYS 40 7.267 6.120 12.333 306 HD2 LYS 40 2HD LYS 40 9.327 5.064 12.859 307 HD3 LYS 40 3HD LYS 40 8.878 4.386 11.298 308 HE2 LYS 40 2HE LYS 40 10.488 5.933 10.193 309 HE3 LYS 40 3HE LYS 40 10.925 6.590 11.766 310 HZ1 LYS 40 1HZ LYS 40 11.751 4.442 12.415 311 HZ2 LYS 40 2HZ LYS 40 12.520 4.954 11.000 312 HZ3 LYS 40 3HZ LYS 40 11.312 3.768 10.928 313 H THR 41 H THR 41 9.124 5.833 7.242 314 HA THR 41 HA THR 41 7.626 6.914 5.090 315 HB THR 41 HB THR 41 8.827 4.105 5.291 316 HG1 THR 41 HG1 THR 41 10.458 5.711 3.983 317 HG21 THR 41 1HG2 THR 41 9.081 4.279 2.832 318 HG22 THR 41 2HG2 THR 41 8.312 5.865 2.862 319 HG23 THR 41 3HG2 THR 41 7.379 4.432 3.294 320 H GLU 42 H GLU 42 5.629 6.321 4.325 321 HA GLU 42 HA GLU 42 4.212 3.978 5.448 322 HB2 GLU 42 2HB GLU 42 3.419 6.032 6.626 323 HB3 GLU 42 3HB GLU 42 2.972 6.752 5.084 324 HG2 GLU 42 2HG GLU 42 1.016 5.820 6.318 325 HG3 GLU 42 3HG GLU 42 1.245 5.052 4.746 326 H VAL 43 H VAL 43 2.818 2.960 3.956 327 HA VAL 43 HA VAL 43 2.934 3.954 1.149 328 HB VAL 43 HB VAL 43 2.960 1.037 2.048 329 HG11 VAL 43 1HG1 VAL 43 1.782 1.286 -0.081 330 HG12 VAL 43 2HG1 VAL 43 3.339 0.506 -0.362 331 HG13 VAL 43 3HG1 VAL 43 3.123 2.212 -0.751 332 HG21 VAL 43 1HG2 VAL 43 5.134 2.101 2.516 333 HG22 VAL 43 2HG2 VAL 43 5.234 2.663 0.848 334 HG23 VAL 43 3HG2 VAL 43 5.282 0.938 1.200 335 H VAL 44 H VAL 44 0.968 4.794 0.885 336 HA VAL 44 HA VAL 44 -1.425 3.546 2.054 337 HB VAL 44 HB VAL 44 -1.117 6.205 0.578 338 HG11 VAL 44 1HG1 VAL 44 -3.410 5.350 0.411 339 HG12 VAL 44 2HG1 VAL 44 -3.365 6.761 1.470 340 HG13 VAL 44 3HG1 VAL 44 -3.484 5.141 2.163 341 HG21 VAL 44 1HG2 VAL 44 0.137 6.261 2.697 342 HG22 VAL 44 2HG2 VAL 44 -1.293 5.720 3.580 343 HG23 VAL 44 3HG2 VAL 44 -1.288 7.301 2.795 344 H ILE 45 H ILE 45 -2.662 2.257 0.783 345 HA ILE 45 HA ILE 45 -2.400 2.396 -2.170 346 HB ILE 45 HB ILE 45 -2.911 -0.062 -0.421 347 HG12 ILE 45 2HG1 ILE 45 -0.442 0.651 -2.084 348 HG13 ILE 45 3HG1 ILE 45 -0.537 0.674 -0.329 349 HG21 ILE 45 1HG2 ILE 45 -2.677 0.104 -3.445 350 HG22 ILE 45 2HG2 ILE 45 -4.145 -0.232 -2.527 351 HG23 ILE 45 3HG2 ILE 45 -2.812 -1.384 -2.502 352 HD11 ILE 45 1HD1 ILE 45 -0.750 -1.786 -2.080 353 HD12 ILE 45 2HD1 ILE 45 -0.877 -1.755 -0.318 354 HD13 ILE 45 3HD1 ILE 45 0.633 -1.295 -1.101 355 H TRP 46 H TRP 46 -4.275 2.654 -3.282 356 HA TRP 46 HA TRP 46 -6.927 2.474 -2.035 357 HB2 TRP 46 2HB TRP 46 -5.979 3.317 -4.808 358 HB3 TRP 46 3HB TRP 46 -7.676 3.176 -4.393 359 HD1 TRP 46 HD1 TRP 46 -4.569 5.318 -3.497 360 HE1 TRP 46 HE1 TRP 46 -5.419 7.615 -2.687 361 HE3 TRP 46 HE3 TRP 46 -9.602 4.374 -3.465 362 HZ2 TRP 46 HZ2 TRP 46 -7.884 8.853 -2.099 363 HZ3 TRP 46 HZ3 TRP 46 -11.148 6.167 -2.768 364 HH2 TRP 46 HH2 TRP 46 -10.298 8.366 -2.097 365 H THR 47 H THR 47 -8.128 0.650 -2.243 366 HA THR 47 HA THR 47 -7.305 -1.589 -3.938 367 HB THR 47 HB THR 47 -9.298 -2.736 -2.896 368 HG1 THR 47 HG1 THR 47 -9.645 -0.748 -1.003 369 HG21 THR 47 1HG2 THR 47 -8.438 -2.852 -0.595 370 HG22 THR 47 2HG2 THR 47 -7.485 -1.388 -0.853 371 HG23 THR 47 3HG2 THR 47 -7.099 -2.861 -1.748 372 H LYS 48 H LYS 48 -9.164 -2.674 -5.245 373 HA LYS 48 HA LYS 48 -10.321 -0.828 -7.120 374 HB2 LYS 48 2HB LYS 48 -10.623 -3.840 -6.873 375 HB3 LYS 48 3HB LYS 48 -11.240 -2.876 -8.212 376 HG2 LYS 48 2HG LYS 48 -8.875 -2.169 -8.715 377 HG3 LYS 48 3HG LYS 48 -8.324 -3.284 -7.462 378 HD2 LYS 48 2HD LYS 48 -8.100 -4.335 -9.658 379 HD3 LYS 48 3HD LYS 48 -9.337 -5.181 -8.726 380 HE2 LYS 48 2HE LYS 48 -11.100 -3.991 -9.976 381 HE3 LYS 48 3HE LYS 48 -9.874 -3.095 -10.874 382 HZ1 LYS 48 1HZ LYS 48 -9.076 -5.195 -11.777 383 HZ2 LYS 48 2HZ LYS 48 -10.699 -4.923 -12.163 384 HZ3 LYS 48 3HZ LYS 48 -10.295 -6.033 -10.951 385 H MET 49 H MET 49 -11.347 -2.037 -4.146 386 HA MET 49 HA MET 49 -14.187 -1.536 -4.495 387 HB2 MET 49 2HB MET 49 -12.526 -1.838 -1.938 388 HB3 MET 49 3HB MET 49 -14.284 -1.871 -2.033 389 HG2 MET 49 2HG MET 49 -14.221 -3.960 -3.277 390 HG3 MET 49 3HG MET 49 -12.463 -3.913 -3.347 391 HE1 MET 49 1HE MET 49 -11.727 -2.936 -0.339 392 HE2 MET 49 2HE MET 49 -10.876 -4.228 -1.187 393 HE3 MET 49 3HE MET 49 -11.509 -4.503 0.436 394 H LYS 50 H LYS 50 -11.430 0.322 -4.334 395 HA LYS 50 HA LYS 50 -10.809 2.431 -4.057 396 HB2 LYS 50 2HB LYS 50 -13.784 2.873 -4.385 397 HB3 LYS 50 3HB LYS 50 -12.763 4.238 -3.960 398 HG2 LYS 50 2HG LYS 50 -13.138 4.193 -6.367 399 HG3 LYS 50 3HG LYS 50 -11.436 3.894 -6.015 400 HD2 LYS 50 2HD LYS 50 -11.786 1.474 -6.400 401 HD3 LYS 50 3HD LYS 50 -13.494 1.764 -6.721 402 HE2 LYS 50 2HE LYS 50 -12.276 1.478 -8.812 403 HE3 LYS 50 3HE LYS 50 -12.866 3.133 -8.687 404 HZ1 LYS 50 1HZ LYS 50 -10.083 2.221 -8.176 405 HZ2 LYS 50 2HZ LYS 50 -10.638 3.797 -7.960 406 HZ3 LYS 50 3HZ LYS 50 -10.620 3.117 -9.502 407 H LYS 51 H LYS 51 -11.323 0.626 -1.855 408 HA LYS 51 HA LYS 51 -11.879 2.325 0.438 409 HB2 LYS 51 2HB LYS 51 -12.535 -0.173 0.225 410 HB3 LYS 51 3HB LYS 51 -10.834 -0.562 0.427 411 HG2 LYS 51 2HG LYS 51 -12.450 0.980 2.490 412 HG3 LYS 51 3HG LYS 51 -12.311 -0.779 2.501 413 HD2 LYS 51 2HD LYS 51 -9.856 -0.574 2.765 414 HD3 LYS 51 3HD LYS 51 -9.996 1.182 2.739 415 HE2 LYS 51 2HE LYS 51 -9.743 0.446 5.026 416 HE3 LYS 51 3HE LYS 51 -11.387 1.056 4.811 417 HZ1 LYS 51 1HZ LYS 51 -10.576 -1.804 4.786 418 HZ2 LYS 51 2HZ LYS 51 -12.153 -1.234 4.578 419 HZ3 LYS 51 3HZ LYS 51 -11.366 -1.015 6.056 420 H VAL 52 H VAL 52 -10.336 3.445 1.424 421 HA VAL 52 HA VAL 52 -7.595 3.521 0.491 422 HB VAL 52 HB VAL 52 -8.975 5.086 2.746 423 HG11 VAL 52 1HG1 VAL 52 -6.520 4.959 3.119 424 HG12 VAL 52 2HG1 VAL 52 -7.010 6.600 2.701 425 HG13 VAL 52 3HG1 VAL 52 -6.239 5.576 1.489 426 HG21 VAL 52 1HG2 VAL 52 -9.918 5.645 0.541 427 HG22 VAL 52 2HG2 VAL 52 -8.302 5.941 -0.098 428 HG23 VAL 52 3HG2 VAL 52 -8.959 6.995 1.154 429 H ILE 53 H ILE 53 -6.053 2.238 1.345 430 HA ILE 53 HA ILE 53 -6.187 1.460 4.200 431 HB ILE 53 HB ILE 53 -5.077 -0.701 3.700 432 HG12 ILE 53 2HG1 ILE 53 -5.452 -0.050 0.737 433 HG13 ILE 53 3HG1 ILE 53 -3.913 -0.019 1.586 434 HG21 ILE 53 1HG2 ILE 53 -6.971 -1.917 2.713 435 HG22 ILE 53 2HG2 ILE 53 -7.639 -0.401 2.102 436 HG23 ILE 53 3HG2 ILE 53 -7.529 -0.680 3.841 437 HD11 ILE 53 1HD1 ILE 53 -4.112 -2.013 0.279 438 HD12 ILE 53 2HD1 ILE 53 -5.625 -2.449 1.074 439 HD13 ILE 53 3HD1 ILE 53 -4.112 -2.435 1.990 440 H CYS 54 H CYS 54 -4.174 1.381 5.233 441 HA CYS 54 HA CYS 54 -1.772 2.313 3.764 442 HB2 CYS 54 2HB CYS 54 -2.194 2.203 6.790 443 HB3 CYS 54 3HB CYS 54 -0.847 2.945 5.932 444 H VAL 55 H VAL 55 0.125 1.009 4.044 445 HA VAL 55 HA VAL 55 -0.106 -1.535 5.501 446 HB VAL 55 HB VAL 55 0.974 -2.841 3.708 447 HG11 VAL 55 1HG1 VAL 55 -1.516 -1.423 2.703 448 HG12 VAL 55 2HG1 VAL 55 -1.463 -2.832 3.761 449 HG13 VAL 55 3HG1 VAL 55 -0.904 -2.962 2.095 450 HG21 VAL 55 1HG2 VAL 55 2.286 -1.135 2.536 451 HG22 VAL 55 2HG2 VAL 55 0.816 -0.362 1.941 452 HG23 VAL 55 3HG2 VAL 55 1.253 -1.980 1.383 453 H ASN 56 H ASN 56 1.616 -1.822 6.763 454 HA ASN 56 HA ASN 56 3.663 -0.017 7.186 455 HB2 ASN 56 2HB ASN 56 4.725 -1.762 8.575 456 HB3 ASN 56 3HB ASN 56 2.995 -1.699 8.857 457 HD21 ASN 56 1HD2 ASN 56 2.297 -3.294 6.421 458 HD22 ASN 56 2HD2 ASN 56 2.766 -4.903 6.795 459 HA PRO 57 HA PRO 57 6.137 -0.630 3.502 460 HB2 PRO 57 2HB PRO 57 8.513 0.597 4.329 461 HB3 PRO 57 3HB PRO 57 7.059 1.473 3.809 462 HG2 PRO 57 2HG PRO 57 7.986 0.872 6.598 463 HG3 PRO 57 3HG PRO 57 7.302 2.374 5.934 464 HD2 PRO 57 2HD PRO 57 5.790 0.670 7.390 465 HD3 PRO 57 3HD PRO 57 5.098 1.578 6.027 466 H ARG 58 H ARG 58 7.057 -2.057 6.534 467 HA ARG 58 HA ARG 58 9.191 -3.693 5.393 468 HB2 ARG 58 2HB ARG 58 9.481 -4.647 7.601 469 HB3 ARG 58 3HB ARG 58 9.366 -2.905 7.732 470 HG2 ARG 58 2HG ARG 58 7.986 -3.373 9.485 471 HG3 ARG 58 3HG ARG 58 6.762 -3.557 8.237 472 HD2 ARG 58 2HD ARG 58 7.137 -6.013 8.235 473 HD3 ARG 58 3HD ARG 58 8.377 -5.822 9.481 474 HE ARG 58 HE ARG 58 6.018 -4.635 10.406 475 HH11 ARG 58 1HH1 ARG 58 7.147 -7.895 9.666 476 HH12 ARG 58 2HH1 ARG 58 6.078 -8.645 10.805 477 HH21 ARG 58 1HH2 ARG 58 4.620 -5.639 11.850 478 HH22 ARG 58 2HH2 ARG 58 4.656 -7.362 12.034 479 H ALA 59 H ALA 59 5.957 -3.837 4.955 480 HA ALA 59 HA ALA 59 5.188 -6.508 5.432 481 HB1 ALA 59 1HB ALA 59 3.460 -6.104 3.626 482 HB2 ALA 59 2HB ALA 59 4.220 -4.535 3.344 483 HB3 ALA 59 3HB ALA 59 3.490 -4.885 4.901 484 H LYS 60 H LYS 60 5.843 -8.314 4.559 485 HA LYS 60 HA LYS 60 8.101 -8.455 2.860 486 HB2 LYS 60 2HB LYS 60 6.254 -10.702 3.774 487 HB3 LYS 60 3HB LYS 60 7.910 -10.888 3.191 488 HG2 LYS 60 2HG LYS 60 8.778 -9.682 5.151 489 HG3 LYS 60 3HG LYS 60 7.135 -9.362 5.712 490 HD2 LYS 60 2HD LYS 60 8.085 -11.196 6.994 491 HD3 LYS 60 3HD LYS 60 6.772 -11.810 5.986 492 HE2 LYS 60 2HE LYS 60 8.619 -13.383 5.926 493 HE3 LYS 60 3HE LYS 60 8.494 -12.621 4.340 494 HZ1 LYS 60 1HZ LYS 60 10.775 -12.709 4.988 495 HZ2 LYS 60 2HZ LYS 60 10.455 -11.980 6.482 496 HZ3 LYS 60 3HZ LYS 60 10.285 -11.095 5.054 497 H TRP 61 H TRP 61 4.696 -8.880 2.307 498 HA TRP 61 HA TRP 61 4.880 -10.114 -0.290 499 HB2 TRP 61 2HB TRP 61 2.389 -9.880 -0.287 500 HB3 TRP 61 3HB TRP 61 2.991 -10.662 1.168 501 HD1 TRP 61 HD1 TRP 61 2.795 -9.230 3.499 502 HE1 TRP 61 HE1 TRP 61 1.290 -7.251 4.152 503 HE3 TRP 61 HE3 TRP 61 1.229 -7.822 -1.154 504 HZ2 TRP 61 HZ2 TRP 61 -0.336 -5.347 2.876 505 HZ3 TRP 61 HZ3 TRP 61 -0.321 -5.922 -1.352 506 HH2 TRP 61 HH2 TRP 61 -1.079 -4.710 0.617 507 H LEU 62 H LEU 62 4.768 -6.847 0.938 508 HA LEU 62 HA LEU 62 3.769 -5.400 -1.260 509 HB2 LEU 62 2HB LEU 62 4.030 -4.360 0.905 510 HB3 LEU 62 3HB LEU 62 5.762 -4.630 0.888 511 HG LEU 62 HG LEU 62 5.887 -2.978 -1.076 512 HD11 LEU 62 1HD1 LEU 62 3.043 -2.284 -0.298 513 HD12 LEU 62 2HD1 LEU 62 3.541 -3.082 -1.784 514 HD13 LEU 62 3HD1 LEU 62 4.059 -1.433 -1.466 515 HD21 LEU 62 1HD2 LEU 62 6.546 -2.332 1.192 516 HD22 LEU 62 2HD2 LEU 62 4.884 -1.854 1.554 517 HD23 LEU 62 3HD2 LEU 62 5.809 -0.993 0.321 518 H GLN 63 H GLN 63 6.885 -6.856 -0.681 519 HA GLN 63 HA GLN 63 8.541 -5.522 -2.484 520 HB2 GLN 63 2HB GLN 63 8.588 -8.446 -1.629 521 HB3 GLN 63 3HB GLN 63 9.896 -7.651 -2.505 522 HG2 GLN 63 2HG GLN 63 8.909 -6.898 0.272 523 HG3 GLN 63 3HG GLN 63 10.377 -7.802 -0.091 524 HE21 GLN 63 1HE2 GLN 63 12.156 -6.690 -0.972 525 HE22 GLN 63 2HE2 GLN 63 12.272 -4.969 -0.938 526 H ARG 64 H ARG 64 6.173 -8.087 -3.047 527 HA ARG 64 HA ARG 64 6.896 -8.709 -5.748 528 HB2 ARG 64 2HB ARG 64 4.266 -9.131 -4.257 529 HB3 ARG 64 3HB ARG 64 4.634 -9.799 -5.846 530 HG2 ARG 64 2HG ARG 64 6.522 -11.089 -4.832 531 HG3 ARG 64 3HG ARG 64 6.049 -10.484 -3.240 532 HD2 ARG 64 2HD ARG 64 5.134 -12.716 -3.561 533 HD3 ARG 64 3HD ARG 64 3.816 -11.543 -3.530 534 HE ARG 64 HE ARG 64 4.912 -12.552 -6.089 535 HH11 ARG 64 1HH1 ARG 64 2.123 -12.078 -3.993 536 HH12 ARG 64 2HH1 ARG 64 0.984 -12.608 -5.187 537 HH21 ARG 64 1HH2 ARG 64 3.418 -13.266 -7.632 538 HH22 ARG 64 2HH2 ARG 64 1.725 -13.280 -7.249 539 H LEU 65 H LEU 65 4.760 -6.349 -4.229 540 HA LEU 65 HA LEU 65 3.408 -5.503 -6.619 541 HB2 LEU 65 2HB LEU 65 3.657 -4.297 -3.851 542 HB3 LEU 65 3HB LEU 65 2.945 -3.376 -5.157 543 HG LEU 65 HG LEU 65 1.226 -5.213 -5.441 544 HD11 LEU 65 1HD1 LEU 65 2.369 -7.078 -4.420 545 HD12 LEU 65 2HD1 LEU 65 0.845 -6.790 -3.592 546 HD13 LEU 65 3HD1 LEU 65 2.359 -6.277 -2.850 547 HD21 LEU 65 1HD2 LEU 65 0.736 -3.112 -4.257 548 HD22 LEU 65 2HD2 LEU 65 1.223 -3.849 -2.733 549 HD23 LEU 65 3HD2 LEU 65 -0.183 -4.461 -3.611 550 H LEU 66 H LEU 66 6.236 -4.370 -4.774 551 HA LEU 66 HA LEU 66 6.892 -2.114 -6.369 552 HB2 LEU 66 2HB LEU 66 8.722 -3.840 -4.643 553 HB3 LEU 66 3HB LEU 66 9.126 -2.244 -5.265 554 HG LEU 66 HG LEU 66 6.912 -2.843 -3.256 555 HD11 LEU 66 1HD1 LEU 66 8.309 -1.703 -1.609 556 HD12 LEU 66 2HD1 LEU 66 9.604 -1.526 -2.799 557 HD13 LEU 66 3HD1 LEU 66 9.110 -3.133 -2.251 558 HD21 LEU 66 1HD2 LEU 66 6.722 -0.389 -3.014 559 HD22 LEU 66 2HD2 LEU 66 6.296 -0.933 -4.629 560 HD23 LEU 66 3HD2 LEU 66 7.864 -0.173 -4.348 561 H ARG 67 H ARG 67 7.869 -5.529 -6.511 562 HA ARG 67 HA ARG 67 9.655 -5.406 -8.690 563 HB2 ARG 67 2HB ARG 67 7.883 -7.646 -7.636 564 HB3 ARG 67 3HB ARG 67 8.995 -7.898 -8.975 565 HG2 ARG 67 2HG ARG 67 9.959 -6.891 -6.279 566 HG3 ARG 67 3HG ARG 67 9.748 -8.611 -6.607 567 HD2 ARG 67 2HD ARG 67 11.576 -6.737 -8.160 568 HD3 ARG 67 3HD ARG 67 12.081 -7.888 -6.920 569 HE ARG 67 HE ARG 67 10.645 -9.328 -8.809 570 HH11 ARG 67 1HH1 ARG 67 13.683 -7.566 -8.713 571 HH12 ARG 67 2HH1 ARG 67 14.414 -8.539 -9.950 572 HH21 ARG 67 1HH2 ARG 67 11.613 -10.585 -10.417 573 HH22 ARG 67 2HH2 ARG 67 13.240 -10.249 -10.910 574 H HIS 68 H HIS 68 6.119 -5.641 -8.533 575 HA HIS 68 HA HIS 68 5.682 -6.049 -11.331 576 HB2 HIS 68 2HB HIS 68 4.003 -6.628 -9.570 577 HB3 HIS 68 3HB HIS 68 3.758 -4.919 -9.245 578 HD1 HIS 68 HD1 HIS 68 2.552 -3.527 -11.160 579 HD2 HIS 68 HD2 HIS 68 2.631 -7.642 -11.762 580 HE1 HIS 68 HE1 HIS 68 0.847 -3.984 -12.936 581 HE2 HIS 68 HE2 HIS 68 1.115 -6.430 -13.450 582 H VAL 69 H VAL 69 6.002 -3.174 -9.273 583 HA VAL 69 HA VAL 69 5.301 -1.220 -11.269 584 HB VAL 69 HB VAL 69 6.873 -0.903 -8.662 585 HG11 VAL 69 1HG1 VAL 69 6.411 1.529 -8.829 586 HG12 VAL 69 2HG1 VAL 69 5.672 1.282 -10.411 587 HG13 VAL 69 3HG1 VAL 69 7.394 0.971 -10.183 588 HG21 VAL 69 1HG2 VAL 69 3.942 -0.313 -9.253 589 HG22 VAL 69 2HG2 VAL 69 4.757 -0.023 -7.714 590 HG23 VAL 69 3HG2 VAL 69 4.547 -1.670 -8.306 591 H GLN 70 H GLN 70 8.222 -2.885 -10.283 592 HA GLN 70 HA GLN 70 10.074 -1.482 -11.968 593 HB2 GLN 70 2HB GLN 70 10.810 -2.842 -9.990 594 HB3 GLN 70 3HB GLN 70 10.244 -4.299 -10.794 595 HG2 GLN 70 2HG GLN 70 11.935 -3.943 -12.585 596 HG3 GLN 70 3HG GLN 70 12.514 -2.515 -11.727 597 HE21 GLN 70 1HE2 GLN 70 12.391 -6.014 -11.719 598 HE22 GLN 70 2HE2 GLN 70 13.583 -6.241 -10.494 599 H SER 71 H SER 71 9.230 -1.368 -14.003 600 HA SER 71 HA SER 71 8.203 -3.779 -15.401 601 HB2 SER 71 2HB SER 71 6.963 -1.964 -16.782 602 HB3 SER 71 3HB SER 71 6.439 -2.175 -15.112 603 HG SER 71 HG SER 71 7.372 -0.300 -14.555 604 H LYS 72 H LYS 72 8.326 -3.355 -17.932 605 HA LYS 72 HA LYS 72 11.101 -3.199 -18.690 606 HB2 LYS 72 2HB LYS 72 9.441 -4.766 -19.773 607 HB3 LYS 72 3HB LYS 72 8.598 -3.380 -20.447 608 HG2 LYS 72 2HG LYS 72 10.054 -4.501 -22.117 609 HG3 LYS 72 3HG LYS 72 10.521 -2.819 -21.843 610 HD2 LYS 72 2HD LYS 72 12.373 -3.551 -20.392 611 HD3 LYS 72 3HD LYS 72 11.897 -5.240 -20.602 612 HE2 LYS 72 2HE LYS 72 13.822 -4.635 -22.033 613 HE3 LYS 72 3HE LYS 72 12.426 -5.103 -23.002 614 HZ1 LYS 72 1HZ LYS 72 13.577 -3.123 -23.860 615 HZ2 LYS 72 2HZ LYS 72 13.217 -2.287 -22.437 616 HZ3 LYS 72 3HZ LYS 72 11.969 -2.798 -23.452 617 H SER 73 H SER 73 12.025 -1.646 -20.082 618 HA SER 73 HA SER 73 11.288 1.072 -19.752 619 HB2 SER 73 2HB SER 73 13.249 1.445 -21.342 620 HB3 SER 73 3HB SER 73 13.618 0.495 -19.902 621 HG SER 73 HG SER 73 14.345 -0.258 -22.106 622 H LEU 74 H LEU 74 9.094 0.900 -20.575 623 HA LEU 74 HA LEU 74 8.504 0.627 -23.378 624 HB2 LEU 74 2HB LEU 74 6.951 0.136 -21.421 625 HB3 LEU 74 3HB LEU 74 6.838 1.856 -21.125 626 HG LEU 74 HG LEU 74 5.893 0.602 -23.748 627 HD11 LEU 74 1HD1 LEU 74 4.223 1.083 -21.259 628 HD12 LEU 74 2HD1 LEU 74 4.675 -0.488 -21.926 629 HD13 LEU 74 3HD1 LEU 74 3.612 0.578 -22.839 630 HD21 LEU 74 1HD2 LEU 74 5.147 3.247 -22.431 631 HD22 LEU 74 2HD2 LEU 74 4.482 2.628 -23.947 632 HD23 LEU 74 3HD2 LEU 74 6.188 3.049 -23.845 633 H SER 75 H SER 75 8.549 2.255 -24.902 634 HA SER 75 HA SER 75 9.836 4.733 -24.373 635 HB2 SER 75 2HB SER 75 9.276 5.221 -26.804 636 HB3 SER 75 3HB SER 75 10.119 3.695 -26.543 637 HG SER 75 HG SER 75 7.303 3.958 -26.822 638 H SER 76 H SER 76 8.691 5.845 -22.845 639 HA SER 76 HA SER 76 5.927 6.316 -22.735 640 HB2 SER 76 2HB SER 76 7.343 6.529 -20.741 641 HB3 SER 76 3HB SER 76 8.263 7.840 -21.478 642 HG SER 76 HG SER 76 6.528 9.169 -21.276 643 H THR 77 H THR 77 4.800 7.434 -24.236 644 HA THR 77 HA THR 77 5.919 9.507 -25.901 645 HB THR 77 HB THR 77 4.215 7.951 -26.805 646 HG1 THR 77 HG1 THR 77 4.377 10.077 -27.690 647 HG21 THR 77 1HG2 THR 77 1.842 8.093 -26.163 648 HG22 THR 77 2HG2 THR 77 2.232 9.275 -24.912 649 HG23 THR 77 3HG2 THR 77 2.827 7.617 -24.776 650 HA PRO 78 HA PRO 78 4.806 13.015 -23.118 651 HB2 PRO 78 2HB PRO 78 4.444 14.501 -25.720 652 HB3 PRO 78 3HB PRO 78 5.392 14.949 -24.282 653 HG2 PRO 78 2HG PRO 78 6.630 14.065 -26.461 654 HG3 PRO 78 3HG PRO 78 7.180 13.561 -24.847 655 HD2 PRO 78 2HD PRO 78 5.568 11.997 -26.859 656 HD3 PRO 78 3HD PRO 78 6.880 11.456 -25.785 657 H GLN 79 H GLN 79 2.858 11.845 -22.571 658 HA GLN 79 HA GLN 79 0.421 12.237 -24.033 659 HB2 GLN 79 2HB GLN 79 -0.648 10.853 -22.452 660 HB3 GLN 79 3HB GLN 79 0.985 10.211 -22.541 661 HG2 GLN 79 2HG GLN 79 1.541 11.392 -20.414 662 HG3 GLN 79 3HG GLN 79 -0.110 11.999 -20.338 663 HE21 GLN 79 1HE2 GLN 79 1.274 10.364 -18.418 664 HE22 GLN 79 2HE2 GLN 79 0.366 8.913 -18.247 665 H ALA 80 H ALA 80 2.103 13.976 -21.630 666 HA ALA 80 HA ALA 80 -0.049 15.591 -20.640 667 HB1 ALA 80 1HB ALA 80 2.037 15.305 -19.367 668 HB2 ALA 80 2HB ALA 80 1.768 17.013 -19.713 669 HB3 ALA 80 3HB ALA 80 2.955 16.098 -20.647 670 HA PRO 81 HA PRO 81 -0.373 18.260 -24.262 671 HB2 PRO 81 2HB PRO 81 -1.786 20.367 -23.250 672 HB3 PRO 81 3HB PRO 81 -2.515 18.753 -23.416 673 HG2 PRO 81 2HG PRO 81 -1.352 20.038 -20.953 674 HG3 PRO 81 3HG PRO 81 -2.877 19.139 -21.129 675 HD2 PRO 81 2HD PRO 81 -0.584 17.996 -20.142 676 HD3 PRO 81 3HD PRO 81 -1.819 17.063 -21.016 677 H VAL 82 H VAL 82 0.664 20.026 -25.225 678 HA VAL 82 HA VAL 82 2.595 21.579 -23.613 679 HB VAL 82 HB VAL 82 2.451 21.330 -26.665 680 HG11 VAL 82 1HG1 VAL 82 3.549 23.415 -25.906 681 HG12 VAL 82 2HG1 VAL 82 4.722 22.328 -26.649 682 HG13 VAL 82 3HG1 VAL 82 4.654 22.482 -24.894 683 HG21 VAL 82 1HG2 VAL 82 2.984 19.131 -25.686 684 HG22 VAL 82 2HG2 VAL 82 4.297 19.849 -24.749 685 HG23 VAL 82 3HG2 VAL 82 4.394 19.802 -26.510 686 H SER 83 H SER 83 1.797 23.506 -22.988 687 HA SER 83 HA SER 83 -0.082 25.052 -24.673 688 HB2 SER 83 2HB SER 83 -1.413 23.651 -23.102 689 HB3 SER 83 3HB SER 83 -0.519 24.313 -21.734 690 HG SER 83 HG SER 83 -2.699 25.266 -22.735 691 H LYS 84 H LYS 84 -0.439 27.275 -23.622 692 HA LYS 84 HA LYS 84 2.082 28.559 -23.470 693 HB2 LYS 84 2HB LYS 84 -0.771 29.551 -23.213 694 HB3 LYS 84 3HB LYS 84 0.579 30.638 -22.910 695 HG2 LYS 84 2HG LYS 84 0.026 29.176 -25.518 696 HG3 LYS 84 3HG LYS 84 -0.241 30.895 -25.190 697 HD2 LYS 84 2HD LYS 84 2.255 31.097 -24.706 698 HD3 LYS 84 3HD LYS 84 2.441 29.440 -25.287 699 HE2 LYS 84 2HE LYS 84 3.024 30.994 -27.055 700 HE3 LYS 84 3HE LYS 84 1.533 30.163 -27.499 701 HZ1 LYS 84 1HZ LYS 84 1.386 32.503 -27.974 702 HZ2 LYS 84 2HZ LYS 84 1.738 32.904 -26.371 703 HZ3 LYS 84 3HZ LYS 84 0.291 32.116 -26.749 704 H ARG 85 H ARG 85 3.279 29.153 -21.821 705 HA ARG 85 HA ARG 85 2.279 29.000 -19.030 706 HB2 ARG 85 2HB ARG 85 5.087 28.335 -20.058 707 HB3 ARG 85 3HB ARG 85 4.571 28.278 -18.373 708 HG2 ARG 85 2HG ARG 85 3.068 26.412 -18.857 709 HG3 ARG 85 3HG ARG 85 3.452 26.509 -20.578 710 HD2 ARG 85 2HD ARG 85 5.756 25.848 -20.147 711 HD3 ARG 85 3HD ARG 85 5.481 25.877 -18.400 712 HE ARG 85 HE ARG 85 3.624 24.094 -19.369 713 HH11 ARG 85 1HH1 ARG 85 7.140 24.294 -19.555 714 HH12 ARG 85 2HH1 ARG 85 7.352 22.576 -19.625 715 HH21 ARG 85 1HH2 ARG 85 3.921 21.861 -19.396 716 HH22 ARG 85 2HH2 ARG 85 5.516 21.198 -19.528 717 H ARG 86 H ARG 86 1.881 31.217 -18.807 718 HA ARG 86 HA ARG 86 3.728 33.289 -19.571 719 HB2 ARG 86 2HB ARG 86 1.216 33.606 -19.202 720 HB3 ARG 86 3HB ARG 86 1.507 33.443 -17.473 721 HG2 ARG 86 2HG ARG 86 3.060 35.452 -17.649 722 HG3 ARG 86 3HG ARG 86 2.509 35.640 -19.314 723 HD2 ARG 86 2HD ARG 86 1.251 37.166 -17.947 724 HD3 ARG 86 3HD ARG 86 0.157 35.864 -18.431 725 HE ARG 86 HE ARG 86 1.199 35.086 -15.994 726 HH11 ARG 86 1HH1 ARG 86 -0.729 37.823 -17.122 727 HH12 ARG 86 2HH1 ARG 86 -1.478 38.064 -15.577 728 HH21 ARG 86 1HH2 ARG 86 0.273 35.498 -13.979 729 HH22 ARG 86 2HH2 ARG 86 -0.917 36.748 -13.805 730 H ALA 87 H ALA 87 2.950 31.514 -16.634 731 HA ALA 87 HA ALA 87 5.149 32.637 -15.070 732 HB1 ALA 87 1HB ALA 87 3.093 30.490 -14.371 733 HB2 ALA 87 2HB ALA 87 2.993 32.202 -13.946 734 HB3 ALA 87 3HB ALA 87 4.269 31.201 -13.258 735 H ALA 88 H ALA 88 6.648 31.111 -13.991 736 HA ALA 88 HA ALA 88 7.101 28.460 -15.029 737 HB1 ALA 88 1HB ALA 88 9.177 30.612 -15.648 738 HB2 ALA 88 2HB ALA 88 8.189 29.749 -16.826 739 HB3 ALA 88 3HB ALA 88 9.399 28.873 -15.889 Start of MODEL 17 1 H1 ILE 1 1H ILE 1 -17.013 20.664 23.656 2 H2 ILE 1 2H ILE 1 -18.070 20.890 22.363 3 H3 ILE 1 3H ILE 1 -16.690 21.846 22.497 4 HA ILE 1 HA ILE 1 -16.771 18.941 22.017 5 HB ILE 1 HB ILE 1 -15.844 21.193 20.153 6 HG12 ILE 1 2HG1 ILE 1 -17.736 20.221 18.634 7 HG13 ILE 1 3HG1 ILE 1 -18.356 19.471 20.096 8 HG21 ILE 1 1HG2 ILE 1 -15.905 18.188 19.670 9 HG22 ILE 1 2HG2 ILE 1 -14.457 19.182 19.868 10 HG23 ILE 1 3HG2 ILE 1 -15.495 19.403 18.456 11 HD11 ILE 1 1HD1 ILE 1 -19.536 21.523 19.567 12 HD12 ILE 1 2HD1 ILE 1 -18.026 22.436 19.624 13 HD13 ILE 1 3HD1 ILE 1 -18.665 21.689 21.091 14 H LEU 2 H LEU 2 -14.889 17.900 22.508 15 HA LEU 2 HA LEU 2 -12.544 19.445 23.441 16 HB2 LEU 2 2HB LEU 2 -13.263 16.507 23.857 17 HB3 LEU 2 3HB LEU 2 -11.884 17.333 24.572 18 HG LEU 2 HG LEU 2 -14.814 17.903 25.182 19 HD11 LEU 2 1HD1 LEU 2 -12.710 16.544 26.892 20 HD12 LEU 2 2HD1 LEU 2 -14.099 15.775 26.119 21 HD13 LEU 2 3HD1 LEU 2 -14.352 16.957 27.398 22 HD21 LEU 2 1HD2 LEU 2 -14.009 19.408 26.941 23 HD22 LEU 2 2HD2 LEU 2 -13.487 19.952 25.349 24 HD23 LEU 2 3HD2 LEU 2 -12.339 19.146 26.425 25 H GLU 3 H GLU 3 -10.789 19.485 22.142 26 HA GLU 3 HA GLU 3 -10.793 18.081 19.600 27 HB2 GLU 3 2HB GLU 3 -8.932 20.142 20.838 28 HB3 GLU 3 3HB GLU 3 -8.570 19.371 19.301 29 HG2 GLU 3 2HG GLU 3 -9.582 21.538 18.898 30 HG3 GLU 3 3HG GLU 3 -10.669 20.258 18.362 31 H ALA 4 H ALA 4 -9.533 16.414 18.992 32 HA ALA 4 HA ALA 4 -8.572 14.575 20.878 33 HB1 ALA 4 1HB ALA 4 -7.785 13.288 18.927 34 HB2 ALA 4 2HB ALA 4 -8.011 14.708 17.899 35 HB3 ALA 4 3HB ALA 4 -9.404 13.935 18.656 36 H HIS 5 H HIS 5 -6.969 15.290 22.215 37 HA HIS 5 HA HIS 5 -4.697 16.809 21.424 38 HB2 HIS 5 2HB HIS 5 -3.854 16.494 23.689 39 HB3 HIS 5 3HB HIS 5 -5.589 16.759 23.783 40 HD1 HIS 5 HD1 HIS 5 -2.934 14.292 24.556 41 HD2 HIS 5 HD2 HIS 5 -7.076 14.459 24.628 42 HE1 HIS 5 HE1 HIS 5 -3.666 12.305 25.895 43 HE2 HIS 5 HE2 HIS 5 -6.152 12.566 26.101 44 H TYR 6 H TYR 6 -2.839 16.143 20.489 45 HA TYR 6 HA TYR 6 -2.612 13.415 19.592 46 HB2 TYR 6 2HB TYR 6 -0.678 15.746 19.173 47 HB3 TYR 6 3HB TYR 6 -0.667 14.222 18.288 48 HD1 TYR 6 HD1 TYR 6 -2.589 13.686 16.719 49 HD2 TYR 6 HD2 TYR 6 -2.174 17.527 18.542 50 HE1 TYR 6 HE1 TYR 6 -4.185 14.640 15.103 51 HE2 TYR 6 HE2 TYR 6 -3.764 18.472 16.937 52 HH TYR 6 HH TYR 6 -4.689 18.032 14.777 53 H THR 7 H THR 7 -1.152 11.907 20.218 54 HA THR 7 HA THR 7 0.067 12.187 22.841 55 HB THR 7 HB THR 7 0.643 9.727 22.481 56 HG1 THR 7 HG1 THR 7 -0.378 8.708 20.669 57 HG21 THR 7 1HG2 THR 7 -1.428 10.366 23.670 58 HG22 THR 7 2HG2 THR 7 -1.680 8.904 22.714 59 HG23 THR 7 3HG2 THR 7 -2.300 10.454 22.135 60 H ASN 8 H ASN 8 2.299 11.748 23.263 61 HA ASN 8 HA ASN 8 4.204 12.781 21.366 62 HB2 ASN 8 2HB ASN 8 4.738 11.416 24.044 63 HB3 ASN 8 3HB ASN 8 5.898 12.366 23.121 64 HD21 ASN 8 1HD2 ASN 8 5.581 14.670 22.989 65 HD22 ASN 8 2HD2 ASN 8 4.631 15.490 24.176 66 H LEU 9 H LEU 9 2.795 9.798 21.644 67 HA LEU 9 HA LEU 9 4.839 7.958 21.069 68 HB2 LEU 9 2HB LEU 9 1.905 7.885 20.261 69 HB3 LEU 9 3HB LEU 9 3.000 6.510 20.198 70 HG LEU 9 HG LEU 9 2.116 7.950 22.735 71 HD11 LEU 9 1HD1 LEU 9 1.322 5.212 21.698 72 HD12 LEU 9 2HD1 LEU 9 0.298 6.651 21.725 73 HD13 LEU 9 3HD1 LEU 9 0.837 5.929 23.239 74 HD21 LEU 9 1HD2 LEU 9 4.379 7.063 22.973 75 HD22 LEU 9 2HD2 LEU 9 3.841 5.474 22.422 76 HD23 LEU 9 3HD2 LEU 9 3.241 6.134 23.946 77 H LYS 10 H LYS 10 5.571 7.089 19.150 78 HA LYS 10 HA LYS 10 5.966 8.620 16.881 79 HB2 LYS 10 2HB LYS 10 6.633 6.478 15.738 80 HB3 LYS 10 3HB LYS 10 7.386 6.706 17.310 81 HG2 LYS 10 2HG LYS 10 5.823 5.106 18.326 82 HG3 LYS 10 3HG LYS 10 5.001 4.906 16.776 83 HD2 LYS 10 2HD LYS 10 6.996 3.909 15.799 84 HD3 LYS 10 3HD LYS 10 7.931 4.241 17.262 85 HE2 LYS 10 2HE LYS 10 7.255 1.879 17.161 86 HE3 LYS 10 3HE LYS 10 6.507 2.690 18.534 87 HZ1 LYS 10 1HZ LYS 10 5.164 2.170 15.936 88 HZ2 LYS 10 2HZ LYS 10 4.453 2.846 17.306 89 HZ3 LYS 10 3HZ LYS 10 4.968 1.240 17.328 90 H CYS 11 H CYS 11 4.904 8.950 15.005 91 HA CYS 11 HA CYS 11 2.079 8.943 15.144 92 HB2 CYS 11 2HB CYS 11 2.245 10.076 12.919 93 HB3 CYS 11 3HB CYS 11 3.328 10.781 14.119 94 H ARG 12 H ARG 12 0.589 7.691 14.169 95 HA ARG 12 HA ARG 12 1.326 5.295 12.634 96 HB2 ARG 12 2HB ARG 12 -1.377 6.207 13.735 97 HB3 ARG 12 3HB ARG 12 -1.059 4.649 12.975 98 HG2 ARG 12 2HG ARG 12 0.428 4.030 14.831 99 HG3 ARG 12 3HG ARG 12 0.175 5.607 15.584 100 HD2 ARG 12 2HD ARG 12 -2.249 5.103 15.790 101 HD3 ARG 12 3HD ARG 12 -1.969 3.511 15.074 102 HE ARG 12 HE ARG 12 -0.281 3.636 17.247 103 HH11 ARG 12 1HH1 ARG 12 -3.780 3.891 16.795 104 HH12 ARG 12 2HH1 ARG 12 -4.147 3.253 18.369 105 HH21 ARG 12 1HH2 ARG 12 -0.790 2.767 19.293 106 HH22 ARG 12 2HH2 ARG 12 -2.448 2.620 19.785 107 H CYS 13 H CYS 13 0.203 4.840 10.597 108 HA CYS 13 HA CYS 13 -0.845 7.173 9.136 109 HB2 CYS 13 2HB CYS 13 0.798 5.525 8.036 110 HB3 CYS 13 3HB CYS 13 -0.509 4.342 8.041 111 H SER 14 H SER 14 -3.001 7.537 9.097 112 HA SER 14 HA SER 14 -4.703 5.962 10.772 113 HB2 SER 14 2HB SER 14 -4.801 8.453 10.683 114 HB3 SER 14 3HB SER 14 -5.400 8.371 9.026 115 HG SER 14 HG SER 14 -6.656 7.477 11.407 116 H GLY 15 H GLY 15 -5.025 3.934 9.812 117 HA2 GLY 15 2HA GLY 15 -7.022 2.891 8.733 118 HA3 GLY 15 3HA GLY 15 -6.654 3.876 7.323 119 H VAL 16 H VAL 16 -5.148 1.488 9.485 120 HA VAL 16 HA VAL 16 -3.557 0.401 7.219 121 HB VAL 16 HB VAL 16 -2.097 -0.687 8.910 122 HG11 VAL 16 1HG1 VAL 16 -1.465 1.531 8.078 123 HG12 VAL 16 2HG1 VAL 16 -0.962 1.337 9.759 124 HG13 VAL 16 3HG1 VAL 16 -2.389 2.303 9.370 125 HG21 VAL 16 1HG2 VAL 16 -3.783 -0.937 10.738 126 HG22 VAL 16 2HG2 VAL 16 -3.679 0.795 11.048 127 HG23 VAL 16 3HG2 VAL 16 -2.268 -0.230 11.303 128 H ILE 17 H ILE 17 -3.110 -2.038 7.477 129 HA ILE 17 HA ILE 17 -5.623 -3.460 8.114 130 HB ILE 17 HB ILE 17 -5.018 -5.044 6.136 131 HG12 ILE 17 2HG1 ILE 17 -3.904 -3.860 4.163 132 HG13 ILE 17 3HG1 ILE 17 -3.336 -2.628 5.278 133 HG21 ILE 17 1HG2 ILE 17 -6.278 -3.661 4.531 134 HG22 ILE 17 2HG2 ILE 17 -6.002 -2.235 5.539 135 HG23 ILE 17 3HG2 ILE 17 -6.976 -3.576 6.154 136 HD11 ILE 17 1HD1 ILE 17 -2.602 -5.554 5.354 137 HD12 ILE 17 2HD1 ILE 17 -1.959 -4.295 6.410 138 HD13 ILE 17 3HD1 ILE 17 -1.616 -4.260 4.680 139 H SER 18 H SER 18 -5.475 -5.515 8.951 140 HA SER 18 HA SER 18 -2.824 -6.461 9.868 141 HB2 SER 18 2HB SER 18 -4.139 -7.703 11.616 142 HB3 SER 18 3HB SER 18 -4.373 -5.959 11.703 143 HG SER 18 HG SER 18 -6.144 -7.924 10.690 144 H THR 19 H THR 19 -4.413 -6.914 7.249 145 HA THR 19 HA THR 19 -3.748 -9.761 7.000 146 HB THR 19 HB THR 19 -6.225 -9.730 7.413 147 HG1 THR 19 HG1 THR 19 -5.642 -10.371 4.685 148 HG21 THR 19 1HG2 THR 19 -7.775 -8.795 5.726 149 HG22 THR 19 2HG2 THR 19 -6.413 -8.077 4.862 150 HG23 THR 19 3HG2 THR 19 -6.817 -7.520 6.487 151 H VAL 20 H VAL 20 -3.030 -10.293 4.898 152 HA VAL 20 HA VAL 20 -2.245 -8.280 3.085 153 HB VAL 20 HB VAL 20 -1.243 -10.579 3.097 154 HG11 VAL 20 1HG1 VAL 20 -2.301 -12.460 1.892 155 HG12 VAL 20 2HG1 VAL 20 -3.780 -11.518 1.707 156 HG13 VAL 20 3HG1 VAL 20 -3.241 -12.004 3.311 157 HG21 VAL 20 1HG2 VAL 20 -0.955 -10.797 0.638 158 HG22 VAL 20 2HG2 VAL 20 -0.823 -9.124 1.188 159 HG23 VAL 20 3HG2 VAL 20 -2.301 -9.677 0.397 160 H VAL 21 H VAL 21 -3.390 -7.205 1.551 161 HA VAL 21 HA VAL 21 -6.230 -7.736 1.135 162 HB VAL 21 HB VAL 21 -5.360 -5.393 1.331 163 HG11 VAL 21 1HG1 VAL 21 -4.157 -4.355 -0.582 164 HG12 VAL 21 2HG1 VAL 21 -4.010 -5.946 -1.327 165 HG13 VAL 21 3HG1 VAL 21 -3.215 -5.620 0.214 166 HG21 VAL 21 1HG2 VAL 21 -7.511 -5.802 0.185 167 HG22 VAL 21 2HG2 VAL 21 -6.665 -5.943 -1.360 168 HG23 VAL 21 3HG2 VAL 21 -6.673 -4.405 -0.496 169 H GLY 22 H GLY 22 -7.144 -8.399 -0.846 170 HA2 GLY 22 2HA GLY 22 -5.924 -10.357 -2.379 171 HA3 GLY 22 3HA GLY 22 -7.347 -9.452 -2.861 172 H LEU 23 H LEU 23 -4.332 -10.252 -3.817 173 HA LEU 23 HA LEU 23 -3.139 -7.904 -4.790 174 HB2 LEU 23 2HB LEU 23 -2.173 -10.271 -4.496 175 HB3 LEU 23 3HB LEU 23 -2.875 -10.658 -6.052 176 HG LEU 23 HG LEU 23 -0.859 -8.390 -5.735 177 HD11 LEU 23 1HD1 LEU 23 0.205 -10.408 -4.846 178 HD12 LEU 23 2HD1 LEU 23 0.933 -9.932 -6.376 179 HD13 LEU 23 3HD1 LEU 23 -0.195 -11.291 -6.324 180 HD21 LEU 23 1HD2 LEU 23 -1.576 -10.067 -8.162 181 HD22 LEU 23 2HD2 LEU 23 -0.397 -8.753 -8.115 182 HD23 LEU 23 3HD2 LEU 23 -2.105 -8.412 -7.859 183 H ASN 24 H ASN 24 -5.587 -10.032 -6.128 184 HA ASN 24 HA ASN 24 -5.682 -9.102 -8.785 185 HB2 ASN 24 2HB ASN 24 -7.932 -10.294 -7.103 186 HB3 ASN 24 3HB ASN 24 -7.946 -10.140 -8.859 187 HD21 ASN 24 1HD2 ASN 24 -8.063 -12.526 -7.079 188 HD22 ASN 24 2HD2 ASN 24 -6.798 -13.563 -7.629 189 H ILE 25 H ILE 25 -7.045 -7.766 -5.805 190 HA ILE 25 HA ILE 25 -8.751 -5.900 -7.343 191 HB ILE 25 HB ILE 25 -10.001 -5.420 -5.338 192 HG12 ILE 25 2HG1 ILE 25 -8.138 -7.252 -3.750 193 HG13 ILE 25 3HG1 ILE 25 -8.080 -5.497 -3.699 194 HG21 ILE 25 1HG2 ILE 25 -10.634 -7.455 -6.566 195 HG22 ILE 25 2HG2 ILE 25 -10.978 -7.628 -4.844 196 HG23 ILE 25 3HG2 ILE 25 -9.562 -8.420 -5.545 197 HD11 ILE 25 1HD1 ILE 25 -10.387 -7.217 -2.786 198 HD12 ILE 25 2HD1 ILE 25 -10.349 -5.452 -2.768 199 HD13 ILE 25 3HD1 ILE 25 -9.226 -6.367 -1.766 200 H ILE 26 H ILE 26 -5.655 -5.795 -6.598 201 HA ILE 26 HA ILE 26 -5.373 -3.150 -5.504 202 HB ILE 26 HB ILE 26 -3.471 -4.713 -7.312 203 HG12 ILE 26 2HG1 ILE 26 -3.903 -5.829 -5.113 204 HG13 ILE 26 3HG1 ILE 26 -2.229 -5.346 -5.310 205 HG21 ILE 26 1HG2 ILE 26 -1.687 -3.158 -6.554 206 HG22 ILE 26 2HG2 ILE 26 -2.897 -2.199 -5.697 207 HG23 ILE 26 3HG2 ILE 26 -2.957 -2.326 -7.456 208 HD11 ILE 26 1HD1 ILE 26 -2.841 -4.925 -3.089 209 HD12 ILE 26 2HD1 ILE 26 -4.325 -4.109 -3.555 210 HD13 ILE 26 3HD1 ILE 26 -2.762 -3.346 -3.867 211 H ASP 27 H ASP 27 -5.954 -1.286 -6.488 212 HA ASP 27 HA ASP 27 -6.424 -1.147 -9.391 213 HB2 ASP 27 2HB ASP 27 -8.086 -0.144 -7.835 214 HB3 ASP 27 3HB ASP 27 -6.855 0.934 -7.191 215 H ARG 28 H ARG 28 -4.597 0.608 -6.862 216 HA ARG 28 HA ARG 28 -2.320 1.103 -8.577 217 HB2 ARG 28 2HB ARG 28 -3.649 2.831 -9.537 218 HB3 ARG 28 3HB ARG 28 -4.336 3.296 -7.991 219 HG2 ARG 28 2HG ARG 28 -2.339 4.438 -7.328 220 HG3 ARG 28 3HG ARG 28 -1.404 3.735 -8.650 221 HD2 ARG 28 2HD ARG 28 -2.114 6.172 -8.934 222 HD3 ARG 28 3HD ARG 28 -2.487 5.086 -10.275 223 HE ARG 28 HE ARG 28 -4.588 5.596 -8.278 224 HH11 ARG 28 1HH1 ARG 28 -3.371 6.218 -11.535 225 HH12 ARG 28 2HH1 ARG 28 -4.887 6.823 -12.114 226 HH21 ARG 28 1HH2 ARG 28 -6.582 6.363 -9.088 227 HH22 ARG 28 2HH2 ARG 28 -6.700 6.899 -10.732 228 H ILE 29 H ILE 29 -0.532 1.459 -7.372 229 HA ILE 29 HA ILE 29 -0.800 1.978 -4.464 230 HB ILE 29 HB ILE 29 1.449 0.624 -6.034 231 HG12 ILE 29 2HG1 ILE 29 -0.488 -0.519 -3.975 232 HG13 ILE 29 3HG1 ILE 29 -0.586 -0.774 -5.711 233 HG21 ILE 29 1HG2 ILE 29 2.514 0.168 -3.815 234 HG22 ILE 29 2HG2 ILE 29 1.328 1.231 -3.061 235 HG23 ILE 29 3HG2 ILE 29 2.476 1.884 -4.224 236 HD11 ILE 29 1HD1 ILE 29 1.552 -1.960 -5.643 237 HD12 ILE 29 2HD1 ILE 29 0.327 -2.704 -4.622 238 HD13 ILE 29 3HD1 ILE 29 1.614 -1.744 -3.893 239 H GLN 30 H GLN 30 -0.611 4.127 -4.182 240 HA GLN 30 HA GLN 30 1.490 5.675 -5.571 241 HB2 GLN 30 2HB GLN 30 -0.789 6.654 -5.607 242 HB3 GLN 30 3HB GLN 30 -0.872 6.575 -3.852 243 HG2 GLN 30 2HG GLN 30 -0.430 8.867 -4.592 244 HG3 GLN 30 3HG GLN 30 0.937 8.244 -3.673 245 HE21 GLN 30 1HE2 GLN 30 2.901 7.885 -4.738 246 HE22 GLN 30 2HE2 GLN 30 3.221 8.494 -6.321 247 H VAL 31 H VAL 31 3.393 5.651 -4.483 248 HA VAL 31 HA VAL 31 3.487 5.465 -1.563 249 HB VAL 31 HB VAL 31 5.708 5.672 -3.652 250 HG11 VAL 31 1HG1 VAL 31 6.465 6.844 -1.616 251 HG12 VAL 31 2HG1 VAL 31 7.346 5.327 -1.832 252 HG13 VAL 31 3HG1 VAL 31 6.047 5.432 -0.642 253 HG21 VAL 31 1HG2 VAL 31 4.604 3.462 -3.544 254 HG22 VAL 31 2HG2 VAL 31 4.907 3.387 -1.808 255 HG23 VAL 31 3HG2 VAL 31 6.261 3.363 -2.940 256 H THR 32 H THR 32 3.446 7.227 -0.308 257 HA THR 32 HA THR 32 3.668 9.906 -1.521 258 HB THR 32 HB THR 32 2.239 9.092 1.048 259 HG1 THR 32 HG1 THR 32 1.136 8.223 -0.682 260 HG21 THR 32 1HG2 THR 32 2.122 11.707 -0.509 261 HG22 THR 32 2HG2 THR 32 2.922 11.478 1.048 262 HG23 THR 32 3HG2 THR 32 1.169 11.318 0.929 263 HA PRO 33 HA PRO 33 7.489 10.405 0.944 264 HB2 PRO 33 2HB PRO 33 7.645 13.179 0.619 265 HB3 PRO 33 3HB PRO 33 8.236 12.005 -0.573 266 HG2 PRO 33 2HG PRO 33 5.610 13.476 -0.527 267 HG3 PRO 33 3HG PRO 33 6.720 13.199 -1.890 268 HD2 PRO 33 2HD PRO 33 4.529 11.697 -1.616 269 HD3 PRO 33 3HD PRO 33 6.062 10.961 -2.150 270 HA PRO 34 HA PRO 34 5.983 11.308 5.045 271 HB2 PRO 34 2HB PRO 34 8.168 12.780 6.097 272 HB3 PRO 34 3HB PRO 34 8.019 11.015 6.080 273 HG2 PRO 34 2HG PRO 34 9.482 12.805 4.177 274 HG3 PRO 34 3HG PRO 34 9.956 11.213 4.814 275 HD2 PRO 34 2HD PRO 34 9.009 11.427 2.328 276 HD3 PRO 34 3HD PRO 34 8.529 10.050 3.348 277 H GLY 35 H GLY 35 4.262 12.641 4.460 278 HA2 GLY 35 2HA GLY 35 4.604 15.550 5.017 279 HA3 GLY 35 3HA GLY 35 3.399 14.890 3.917 280 H ASN 36 H ASN 36 3.913 12.937 6.618 281 HA ASN 36 HA ASN 36 1.293 13.326 7.694 282 HB2 ASN 36 2HB ASN 36 2.708 11.161 7.621 283 HB3 ASN 36 3HB ASN 36 3.608 11.805 8.985 284 HD21 ASN 36 1HD2 ASN 36 0.635 10.382 7.915 285 HD22 ASN 36 2HD2 ASN 36 -0.043 10.122 9.485 286 H GLY 37 H GLY 37 4.203 14.996 8.166 287 HA2 GLY 37 2HA GLY 37 4.508 16.864 9.627 288 HA3 GLY 37 3HA GLY 37 3.483 16.087 10.829 289 H CYS 38 H CYS 38 5.075 13.565 9.843 290 HA CYS 38 HA CYS 38 7.442 13.831 11.591 291 HB2 CYS 38 2HB CYS 38 6.771 11.488 12.406 292 HB3 CYS 38 3HB CYS 38 5.704 12.791 12.927 293 HA PRO 39 HA PRO 39 9.529 11.711 8.198 294 HB2 PRO 39 2HB PRO 39 11.206 10.170 10.134 295 HB3 PRO 39 3HB PRO 39 11.695 11.430 8.981 296 HG2 PRO 39 2HG PRO 39 11.687 11.907 11.621 297 HG3 PRO 39 3HG PRO 39 11.225 13.169 10.451 298 HD2 PRO 39 2HD PRO 39 9.418 11.389 12.104 299 HD3 PRO 39 3HD PRO 39 9.331 13.149 11.843 300 H LYS 40 H LYS 40 7.566 10.514 7.689 301 HA LYS 40 HA LYS 40 7.841 7.587 7.992 302 HB2 LYS 40 2HB LYS 40 5.403 9.269 8.713 303 HB3 LYS 40 3HB LYS 40 5.221 7.582 8.257 304 HG2 LYS 40 2HG LYS 40 6.932 8.536 10.575 305 HG3 LYS 40 3HG LYS 40 5.254 8.010 10.732 306 HD2 LYS 40 2HD LYS 40 7.561 6.297 9.718 307 HD3 LYS 40 3HD LYS 40 6.845 6.210 11.330 308 HE2 LYS 40 2HE LYS 40 4.683 5.525 10.335 309 HE3 LYS 40 3HE LYS 40 5.397 5.620 8.721 310 HZ1 LYS 40 1HZ LYS 40 5.331 3.349 9.583 311 HZ2 LYS 40 2HZ LYS 40 6.307 3.799 10.883 312 HZ3 LYS 40 3HZ LYS 40 6.916 3.856 9.313 313 H THR 41 H THR 41 7.851 6.766 5.959 314 HA THR 41 HA THR 41 6.752 8.165 3.684 315 HB THR 41 HB THR 41 7.858 5.319 3.831 316 HG1 THR 41 HG1 THR 41 9.417 6.896 4.439 317 HG21 THR 41 1HG2 THR 41 6.518 5.710 1.788 318 HG22 THR 41 2HG2 THR 41 8.232 5.570 1.396 319 HG23 THR 41 3HG2 THR 41 7.476 7.162 1.437 320 H GLU 42 H GLU 42 4.635 8.093 3.244 321 HA GLU 42 HA GLU 42 2.892 6.113 4.569 322 HB2 GLU 42 2HB GLU 42 2.175 8.669 3.058 323 HB3 GLU 42 3HB GLU 42 1.101 7.724 4.090 324 HG2 GLU 42 2HG GLU 42 2.254 8.402 6.082 325 HG3 GLU 42 3HG GLU 42 3.615 9.041 5.168 326 H VAL 43 H VAL 43 2.603 4.285 3.327 327 HA VAL 43 HA VAL 43 2.617 4.493 0.389 328 HB VAL 43 HB VAL 43 2.483 1.964 2.091 329 HG11 VAL 43 1HG1 VAL 43 1.586 1.654 -0.188 330 HG12 VAL 43 2HG1 VAL 43 3.100 0.774 0.016 331 HG13 VAL 43 3HG1 VAL 43 3.079 2.298 -0.875 332 HG21 VAL 43 1HG2 VAL 43 4.596 3.165 2.502 333 HG22 VAL 43 2HG2 VAL 43 4.915 3.226 0.767 334 HG23 VAL 43 3HG2 VAL 43 4.887 1.671 1.604 335 H VAL 44 H VAL 44 0.705 5.186 -0.313 336 HA VAL 44 HA VAL 44 -1.814 4.356 0.951 337 HB VAL 44 HB VAL 44 -1.290 6.505 -1.167 338 HG11 VAL 44 1HG1 VAL 44 -3.759 6.049 0.535 339 HG12 VAL 44 2HG1 VAL 44 -3.623 5.704 -1.191 340 HG13 VAL 44 3HG1 VAL 44 -3.524 7.369 -0.608 341 HG21 VAL 44 1HG2 VAL 44 -1.630 6.858 1.838 342 HG22 VAL 44 2HG2 VAL 44 -1.469 8.160 0.656 343 HG23 VAL 44 3HG2 VAL 44 -0.123 7.054 0.935 344 H ILE 45 H ILE 45 -2.583 2.499 0.113 345 HA ILE 45 HA ILE 45 -2.328 1.919 -2.775 346 HB ILE 45 HB ILE 45 -3.070 0.019 -0.505 347 HG12 ILE 45 2HG1 ILE 45 -0.416 0.260 -1.984 348 HG13 ILE 45 3HG1 ILE 45 -0.704 0.790 -0.334 349 HG21 ILE 45 1HG2 ILE 45 -2.746 -1.782 -2.178 350 HG22 ILE 45 2HG2 ILE 45 -2.454 -0.566 -3.421 351 HG23 ILE 45 3HG2 ILE 45 -4.038 -0.673 -2.652 352 HD11 ILE 45 1HD1 ILE 45 -0.775 -2.059 -1.335 353 HD12 ILE 45 2HD1 ILE 45 -1.145 -1.543 0.315 354 HD13 ILE 45 3HD1 ILE 45 0.470 -1.298 -0.342 355 H TRP 46 H TRP 46 -4.105 2.344 -3.930 356 HA TRP 46 HA TRP 46 -6.804 2.404 -2.781 357 HB2 TRP 46 2HB TRP 46 -5.654 3.217 -5.485 358 HB3 TRP 46 3HB TRP 46 -7.379 3.238 -5.131 359 HD1 TRP 46 HD1 TRP 46 -4.099 4.994 -3.955 360 HE1 TRP 46 HE1 TRP 46 -4.741 7.317 -3.044 361 HE3 TRP 46 HE3 TRP 46 -9.209 4.613 -4.241 362 HZ2 TRP 46 HZ2 TRP 46 -7.092 8.799 -2.536 363 HZ3 TRP 46 HZ3 TRP 46 -10.580 6.529 -3.522 364 HH2 TRP 46 HH2 TRP 46 -9.542 8.579 -2.685 365 H THR 47 H THR 47 -8.172 0.726 -3.048 366 HA THR 47 HA THR 47 -7.471 -1.553 -4.762 367 HB THR 47 HB THR 47 -9.422 -2.658 -3.697 368 HG1 THR 47 HG1 THR 47 -10.299 -1.301 -1.828 369 HG21 THR 47 1HG2 THR 47 -7.632 -1.278 -1.650 370 HG22 THR 47 2HG2 THR 47 -7.250 -2.773 -2.513 371 HG23 THR 47 3HG2 THR 47 -8.595 -2.733 -1.373 372 H LYS 48 H LYS 48 -9.345 -2.524 -6.033 373 HA LYS 48 HA LYS 48 -10.389 -0.639 -7.930 374 HB2 LYS 48 2HB LYS 48 -10.840 -3.641 -7.647 375 HB3 LYS 48 3HB LYS 48 -11.410 -2.671 -9.004 376 HG2 LYS 48 2HG LYS 48 -9.050 -2.100 -9.573 377 HG3 LYS 48 3HG LYS 48 -8.500 -3.102 -8.226 378 HD2 LYS 48 2HD LYS 48 -8.291 -4.324 -10.340 379 HD3 LYS 48 3HD LYS 48 -9.489 -5.098 -9.300 380 HE2 LYS 48 2HE LYS 48 -10.241 -5.030 -11.645 381 HE3 LYS 48 3HE LYS 48 -11.306 -4.068 -10.621 382 HZ1 LYS 48 1HZ LYS 48 -9.124 -2.989 -12.327 383 HZ2 LYS 48 2HZ LYS 48 -10.171 -2.075 -11.383 384 HZ3 LYS 48 3HZ LYS 48 -10.772 -2.940 -12.704 385 H MET 49 H MET 49 -11.577 -2.050 -5.008 386 HA MET 49 HA MET 49 -14.339 -1.266 -5.381 387 HB2 MET 49 2HB MET 49 -12.800 -2.000 -2.846 388 HB3 MET 49 3HB MET 49 -14.531 -1.695 -2.905 389 HG2 MET 49 2HG MET 49 -14.791 -3.622 -4.445 390 HG3 MET 49 3HG MET 49 -13.063 -3.946 -4.284 391 HE1 MET 49 1HE MET 49 -13.330 -6.440 -3.368 392 HE2 MET 49 2HE MET 49 -15.051 -6.257 -3.726 393 HE3 MET 49 3HE MET 49 -14.536 -6.876 -2.157 394 H LYS 50 H LYS 50 -11.678 0.576 -5.315 395 HA LYS 50 HA LYS 50 -11.223 2.763 -5.027 396 HB2 LYS 50 2HB LYS 50 -14.218 2.986 -4.530 397 HB3 LYS 50 3HB LYS 50 -13.153 4.379 -4.683 398 HG2 LYS 50 2HG LYS 50 -13.579 2.291 -6.856 399 HG3 LYS 50 3HG LYS 50 -14.415 3.845 -6.773 400 HD2 LYS 50 2HD LYS 50 -11.408 3.444 -7.078 401 HD3 LYS 50 3HD LYS 50 -12.525 3.956 -8.347 402 HE2 LYS 50 2HE LYS 50 -13.030 6.014 -7.050 403 HE3 LYS 50 3HE LYS 50 -11.880 5.500 -5.813 404 HZ1 LYS 50 1HZ LYS 50 -10.875 7.087 -7.301 405 HZ2 LYS 50 2HZ LYS 50 -11.234 6.133 -8.639 406 HZ3 LYS 50 3HZ LYS 50 -10.123 5.585 -7.490 407 H LYS 51 H LYS 51 -11.289 0.813 -2.744 408 HA LYS 51 HA LYS 51 -11.885 2.497 -0.427 409 HB2 LYS 51 2HB LYS 51 -12.703 0.076 -0.698 410 HB3 LYS 51 3HB LYS 51 -11.042 -0.435 -0.467 411 HG2 LYS 51 2HG LYS 51 -12.453 1.261 1.601 412 HG3 LYS 51 3HG LYS 51 -12.680 -0.488 1.557 413 HD2 LYS 51 2HD LYS 51 -10.264 -0.828 1.902 414 HD3 LYS 51 3HD LYS 51 -9.995 0.918 1.867 415 HE2 LYS 51 2HE LYS 51 -11.403 1.153 3.899 416 HE3 LYS 51 3HE LYS 51 -11.621 -0.600 3.936 417 HZ1 LYS 51 1HZ LYS 51 -9.258 -0.866 4.239 418 HZ2 LYS 51 2HZ LYS 51 -9.884 0.140 5.444 419 HZ3 LYS 51 3HZ LYS 51 -9.016 0.806 4.159 420 H VAL 52 H VAL 52 -10.345 3.401 0.770 421 HA VAL 52 HA VAL 52 -7.580 3.393 -0.136 422 HB VAL 52 HB VAL 52 -8.922 5.047 2.065 423 HG11 VAL 52 1HG1 VAL 52 -6.496 4.849 2.456 424 HG12 VAL 52 2HG1 VAL 52 -6.901 6.493 1.951 425 HG13 VAL 52 3HG1 VAL 52 -6.175 5.369 0.800 426 HG21 VAL 52 1HG2 VAL 52 -9.839 5.579 -0.150 427 HG22 VAL 52 2HG2 VAL 52 -8.212 5.806 -0.789 428 HG23 VAL 52 3HG2 VAL 52 -8.840 6.911 0.437 429 H ILE 53 H ILE 53 -6.064 2.159 0.800 430 HA ILE 53 HA ILE 53 -6.164 1.690 3.722 431 HB ILE 53 HB ILE 53 -4.924 -0.465 3.425 432 HG12 ILE 53 2HG1 ILE 53 -5.560 -0.203 0.450 433 HG13 ILE 53 3HG1 ILE 53 -3.965 0.018 1.157 434 HG21 ILE 53 1HG2 ILE 53 -7.607 -0.450 2.007 435 HG22 ILE 53 2HG2 ILE 53 -7.361 -0.516 3.753 436 HG23 ILE 53 3HG2 ILE 53 -6.830 -1.859 2.738 437 HD11 ILE 53 1HD1 ILE 53 -5.558 -2.539 1.102 438 HD12 ILE 53 2HD1 ILE 53 -3.997 -2.325 1.902 439 HD13 ILE 53 3HD1 ILE 53 -4.124 -2.141 0.154 440 H CYS 54 H CYS 54 -4.071 1.675 4.698 441 HA CYS 54 HA CYS 54 -1.828 2.742 3.085 442 HB2 CYS 54 2HB CYS 54 -2.848 4.629 4.314 443 HB3 CYS 54 3HB CYS 54 -2.705 3.747 5.833 444 H VAL 55 H VAL 55 0.073 1.769 3.514 445 HA VAL 55 HA VAL 55 0.387 0.168 5.978 446 HB VAL 55 HB VAL 55 1.684 -1.553 4.741 447 HG11 VAL 55 1HG1 VAL 55 -0.733 -1.881 5.188 448 HG12 VAL 55 2HG1 VAL 55 -0.176 -2.743 3.761 449 HG13 VAL 55 3HG1 VAL 55 -1.103 -1.252 3.580 450 HG21 VAL 55 1HG2 VAL 55 0.797 -0.115 2.206 451 HG22 VAL 55 2HG2 VAL 55 1.598 -1.689 2.259 452 HG23 VAL 55 3HG2 VAL 55 2.449 -0.246 2.812 453 H ASN 56 H ASN 56 2.602 -0.193 6.535 454 HA ASN 56 HA ASN 56 4.423 1.992 5.907 455 HB2 ASN 56 2HB ASN 56 4.637 -0.383 7.818 456 HB3 ASN 56 3HB ASN 56 5.905 0.824 7.619 457 HD21 ASN 56 1HD2 ASN 56 4.283 0.120 9.968 458 HD22 ASN 56 2HD2 ASN 56 3.535 1.591 10.482 459 HA PRO 57 HA PRO 57 6.426 -0.189 2.581 460 HB2 PRO 57 2HB PRO 57 9.016 0.760 2.688 461 HB3 PRO 57 3HB PRO 57 7.638 1.752 2.158 462 HG2 PRO 57 2HG PRO 57 8.914 1.641 4.883 463 HG3 PRO 57 3HG PRO 57 8.480 3.060 3.908 464 HD2 PRO 57 2HD PRO 57 6.870 2.230 5.894 465 HD3 PRO 57 3HD PRO 57 6.183 2.855 4.373 466 H ARG 58 H ARG 58 7.352 -0.826 5.807 467 HA ARG 58 HA ARG 58 9.394 -2.789 5.313 468 HB2 ARG 58 2HB ARG 58 7.724 -2.324 7.821 469 HB3 ARG 58 3HB ARG 58 9.187 -3.303 7.721 470 HG2 ARG 58 2HG ARG 58 10.422 -1.171 7.043 471 HG3 ARG 58 3HG ARG 58 8.952 -0.284 7.458 472 HD2 ARG 58 2HD ARG 58 10.603 -2.014 9.340 473 HD3 ARG 58 3HD ARG 58 10.564 -0.252 9.321 474 HE ARG 58 HE ARG 58 7.974 -0.851 9.736 475 HH11 ARG 58 1HH1 ARG 58 10.871 -2.048 11.341 476 HH12 ARG 58 2HH1 ARG 58 10.070 -2.304 12.861 477 HH21 ARG 58 1HH2 ARG 58 6.948 -1.162 11.731 478 HH22 ARG 58 2HH2 ARG 58 7.836 -1.802 13.078 479 H ALA 59 H ALA 59 6.012 -2.826 5.007 480 HA ALA 59 HA ALA 59 5.215 -5.398 5.714 481 HB1 ALA 59 1HB ALA 59 3.628 -3.631 5.080 482 HB2 ALA 59 2HB ALA 59 3.363 -5.063 4.083 483 HB3 ALA 59 3HB ALA 59 4.217 -3.666 3.418 484 H LYS 60 H LYS 60 5.941 -7.298 5.040 485 HA LYS 60 HA LYS 60 7.949 -7.583 3.070 486 HB2 LYS 60 2HB LYS 60 6.394 -9.760 4.528 487 HB3 LYS 60 3HB LYS 60 7.882 -9.998 3.612 488 HG2 LYS 60 2HG LYS 60 9.045 -8.438 5.218 489 HG3 LYS 60 3HG LYS 60 7.555 -8.395 6.171 490 HD2 LYS 60 2HD LYS 60 9.114 -10.023 7.146 491 HD3 LYS 60 3HD LYS 60 7.704 -10.862 6.496 492 HE2 LYS 60 2HE LYS 60 8.977 -11.532 4.514 493 HE3 LYS 60 3HE LYS 60 10.373 -10.605 5.061 494 HZ1 LYS 60 1HZ LYS 60 10.624 -12.957 5.528 495 HZ2 LYS 60 2HZ LYS 60 9.216 -12.961 6.459 496 HZ3 LYS 60 3HZ LYS 60 10.555 -12.076 6.969 497 H TRP 61 H TRP 61 4.481 -8.194 3.006 498 HA TRP 61 HA TRP 61 4.436 -9.732 0.600 499 HB2 TRP 61 2HB TRP 61 2.015 -9.532 0.680 500 HB3 TRP 61 3HB TRP 61 2.588 -9.771 2.325 501 HD1 TRP 61 HD1 TRP 61 2.225 -7.716 4.061 502 HE1 TRP 61 HE1 TRP 61 0.727 -5.625 3.963 503 HE3 TRP 61 HE3 TRP 61 1.057 -7.751 -0.932 504 HZ2 TRP 61 HZ2 TRP 61 -0.754 -4.191 2.032 505 HZ3 TRP 61 HZ3 TRP 61 -0.403 -5.977 -1.818 506 HH2 TRP 61 HH2 TRP 61 -1.283 -4.230 -0.361 507 H LEU 62 H LEU 62 4.558 -6.310 1.280 508 HA LEU 62 HA LEU 62 3.478 -5.275 -1.133 509 HB2 LEU 62 2HB LEU 62 3.697 -3.939 0.913 510 HB3 LEU 62 3HB LEU 62 5.447 -4.067 0.846 511 HG LEU 62 HG LEU 62 5.392 -2.734 -1.312 512 HD11 LEU 62 1HD1 LEU 62 3.141 -3.176 -2.065 513 HD12 LEU 62 2HD1 LEU 62 3.365 -1.441 -1.853 514 HD13 LEU 62 3HD1 LEU 62 2.464 -2.367 -0.649 515 HD21 LEU 62 1HD2 LEU 62 5.930 -1.640 0.793 516 HD22 LEU 62 2HD2 LEU 62 4.216 -1.348 1.108 517 HD23 LEU 62 3HD2 LEU 62 5.014 -0.562 -0.257 518 H GLN 63 H GLN 63 6.656 -6.452 -0.215 519 HA GLN 63 HA GLN 63 8.276 -5.466 -2.283 520 HB2 GLN 63 2HB GLN 63 8.505 -8.143 -0.845 521 HB3 GLN 63 3HB GLN 63 9.774 -7.414 -1.826 522 HG2 GLN 63 2HG GLN 63 9.945 -5.550 -0.237 523 HG3 GLN 63 3HG GLN 63 8.661 -6.256 0.747 524 HE21 GLN 63 1HE2 GLN 63 9.090 -8.276 1.820 525 HE22 GLN 63 2HE2 GLN 63 10.707 -8.764 2.173 526 H ARG 64 H ARG 64 5.904 -8.032 -2.273 527 HA ARG 64 HA ARG 64 6.669 -9.468 -4.591 528 HB2 ARG 64 2HB ARG 64 3.919 -9.045 -3.324 529 HB3 ARG 64 3HB ARG 64 4.207 -10.152 -4.656 530 HG2 ARG 64 2HG ARG 64 5.443 -10.368 -1.891 531 HG3 ARG 64 3HG ARG 64 4.092 -11.326 -2.498 532 HD2 ARG 64 2HD ARG 64 5.602 -12.236 -4.287 533 HD3 ARG 64 3HD ARG 64 6.942 -11.347 -3.559 534 HE ARG 64 HE ARG 64 6.705 -12.719 -1.576 535 HH11 ARG 64 1HH1 ARG 64 5.083 -13.937 -4.442 536 HH12 ARG 64 2HH1 ARG 64 5.050 -15.578 -3.877 537 HH21 ARG 64 1HH2 ARG 64 6.672 -14.871 -0.855 538 HH22 ARG 64 2HH2 ARG 64 5.951 -16.104 -1.848 539 H LEU 65 H LEU 65 4.503 -6.702 -4.078 540 HA LEU 65 HA LEU 65 3.654 -6.449 -6.796 541 HB2 LEU 65 2HB LEU 65 3.372 -4.705 -4.333 542 HB3 LEU 65 3HB LEU 65 2.950 -4.056 -5.900 543 HG LEU 65 HG LEU 65 0.957 -4.833 -4.661 544 HD11 LEU 65 1HD1 LEU 65 1.362 -6.545 -7.138 545 HD12 LEU 65 2HD1 LEU 65 0.916 -4.837 -7.141 546 HD13 LEU 65 3HD1 LEU 65 -0.167 -6.025 -6.428 547 HD21 LEU 65 1HD2 LEU 65 2.101 -7.647 -4.829 548 HD22 LEU 65 2HD2 LEU 65 0.500 -7.207 -4.234 549 HD23 LEU 65 3HD2 LEU 65 1.933 -6.678 -3.361 550 H LEU 66 H LEU 66 6.012 -4.735 -4.770 551 HA LEU 66 HA LEU 66 6.829 -2.761 -6.597 552 HB2 LEU 66 2HB LEU 66 8.459 -4.056 -4.369 553 HB3 LEU 66 3HB LEU 66 8.875 -2.556 -5.184 554 HG LEU 66 HG LEU 66 6.417 -2.976 -3.435 555 HD11 LEU 66 1HD1 LEU 66 8.466 -2.991 -2.105 556 HD12 LEU 66 2HD1 LEU 66 7.530 -1.533 -1.800 557 HD13 LEU 66 3HD1 LEU 66 8.971 -1.455 -2.820 558 HD21 LEU 66 1HD2 LEU 66 5.948 -1.317 -5.156 559 HD22 LEU 66 2HD2 LEU 66 7.432 -0.441 -4.769 560 HD23 LEU 66 3HD2 LEU 66 6.120 -0.524 -3.592 561 H ARG 67 H ARG 67 8.142 -6.004 -5.963 562 HA ARG 67 HA ARG 67 10.284 -5.779 -7.891 563 HB2 ARG 67 2HB ARG 67 10.365 -7.080 -5.715 564 HB3 ARG 67 3HB ARG 67 9.282 -8.260 -6.442 565 HG2 ARG 67 2HG ARG 67 10.989 -8.840 -8.111 566 HG3 ARG 67 3HG ARG 67 12.051 -7.569 -7.495 567 HD2 ARG 67 2HD ARG 67 11.162 -10.071 -6.019 568 HD3 ARG 67 3HD ARG 67 12.788 -9.723 -6.618 569 HE ARG 67 HE ARG 67 12.494 -7.674 -4.967 570 HH11 ARG 67 1HH1 ARG 67 11.581 -11.039 -4.382 571 HH12 ARG 67 2HH1 ARG 67 11.794 -10.924 -2.668 572 HH21 ARG 67 1HH2 ARG 67 12.752 -7.546 -2.703 573 HH22 ARG 67 2HH2 ARG 67 12.462 -8.939 -1.712 574 H HIS 68 H HIS 68 6.946 -6.853 -7.952 575 HA HIS 68 HA HIS 68 7.075 -8.292 -10.432 576 HB2 HIS 68 2HB HIS 68 5.159 -8.489 -8.851 577 HB3 HIS 68 3HB HIS 68 4.692 -6.831 -9.207 578 HD1 HIS 68 HD1 HIS 68 3.227 -6.458 -11.238 579 HD2 HIS 68 HD2 HIS 68 4.828 -10.293 -11.110 580 HE1 HIS 68 HE1 HIS 68 2.147 -7.715 -13.117 581 HE2 HIS 68 HE2 HIS 68 3.019 -10.063 -12.923 582 H VAL 69 H VAL 69 6.829 -4.879 -9.568 583 HA VAL 69 HA VAL 69 6.165 -3.867 -12.168 584 HB VAL 69 HB VAL 69 7.599 -2.365 -9.917 585 HG11 VAL 69 1HG1 VAL 69 6.753 -0.292 -10.993 586 HG12 VAL 69 2HG1 VAL 69 6.087 -1.251 -12.317 587 HG13 VAL 69 3HG1 VAL 69 7.833 -1.184 -12.069 588 HG21 VAL 69 1HG2 VAL 69 4.626 -2.525 -10.518 589 HG22 VAL 69 2HG2 VAL 69 5.363 -1.452 -9.327 590 HG23 VAL 69 3HG2 VAL 69 5.447 -3.196 -9.112 591 H GLN 70 H GLN 70 9.105 -4.951 -10.654 592 HA GLN 70 HA GLN 70 10.993 -3.868 -12.492 593 HB2 GLN 70 2HB GLN 70 11.609 -4.774 -10.262 594 HB3 GLN 70 3HB GLN 70 11.216 -6.402 -10.801 595 HG2 GLN 70 2HG GLN 70 13.047 -6.216 -12.511 596 HG3 GLN 70 3HG GLN 70 13.445 -4.626 -11.858 597 HE21 GLN 70 1HE2 GLN 70 14.409 -4.493 -9.769 598 HE22 GLN 70 2HE2 GLN 70 15.139 -5.869 -9.020 599 H SER 71 H SER 71 10.081 -4.120 -14.497 600 HA SER 71 HA SER 71 9.877 -6.834 -15.674 601 HB2 SER 71 2HB SER 71 7.675 -5.659 -15.482 602 HB3 SER 71 3HB SER 71 8.312 -4.306 -16.408 603 HG SER 71 HG SER 71 7.239 -5.555 -17.848 604 H LYS 72 H LYS 72 10.077 -6.609 -18.180 605 HA LYS 72 HA LYS 72 12.686 -5.501 -18.759 606 HB2 LYS 72 2HB LYS 72 10.683 -6.905 -20.580 607 HB3 LYS 72 3HB LYS 72 12.340 -6.498 -21.021 608 HG2 LYS 72 2HG LYS 72 11.461 -8.459 -18.884 609 HG3 LYS 72 3HG LYS 72 12.201 -8.846 -20.442 610 HD2 LYS 72 2HD LYS 72 14.260 -7.572 -19.681 611 HD3 LYS 72 3HD LYS 72 13.507 -7.424 -18.087 612 HE2 LYS 72 2HE LYS 72 14.308 -9.991 -19.496 613 HE3 LYS 72 3HE LYS 72 15.052 -9.287 -18.060 614 HZ1 LYS 72 1HZ LYS 72 13.634 -11.052 -17.390 615 HZ2 LYS 72 2HZ LYS 72 12.327 -10.450 -18.274 616 HZ3 LYS 72 3HZ LYS 72 12.891 -9.616 -16.916 617 H SER 73 H SER 73 12.955 -4.333 -20.941 618 HA SER 73 HA SER 73 11.644 -1.813 -20.835 619 HB2 SER 73 2HB SER 73 13.459 -2.982 -23.000 620 HB3 SER 73 3HB SER 73 13.028 -1.277 -22.834 621 HG SER 73 HG SER 73 13.923 -1.755 -20.534 622 H LEU 74 H LEU 74 9.427 -2.355 -21.030 623 HA LEU 74 HA LEU 74 8.329 -3.397 -23.517 624 HB2 LEU 74 2HB LEU 74 6.889 -2.067 -21.180 625 HB3 LEU 74 3HB LEU 74 6.138 -3.006 -22.462 626 HG LEU 74 HG LEU 74 7.992 -4.110 -20.302 627 HD11 LEU 74 1HD1 LEU 74 4.987 -4.409 -20.615 628 HD12 LEU 74 2HD1 LEU 74 5.825 -3.448 -19.391 629 HD13 LEU 74 3HD1 LEU 74 5.993 -5.201 -19.395 630 HD21 LEU 74 1HD2 LEU 74 7.324 -6.347 -21.156 631 HD22 LEU 74 2HD2 LEU 74 8.254 -5.420 -22.326 632 HD23 LEU 74 3HD2 LEU 74 6.505 -5.568 -22.515 633 H SER 75 H SER 75 9.231 -1.941 -24.967 634 HA SER 75 HA SER 75 9.144 0.878 -24.755 635 HB2 SER 75 2HB SER 75 10.820 -0.290 -26.162 636 HB3 SER 75 3HB SER 75 9.541 -0.853 -27.240 637 HG SER 75 HG SER 75 9.120 1.331 -27.765 638 H SER 76 H SER 76 7.112 1.625 -24.401 639 HA SER 76 HA SER 76 4.833 1.114 -26.073 640 HB2 SER 76 2HB SER 76 3.872 3.102 -24.805 641 HB3 SER 76 3HB SER 76 4.464 1.802 -23.771 642 HG SER 76 HG SER 76 6.426 3.610 -24.317 643 H THR 77 H THR 77 3.783 2.797 -27.380 644 HA THR 77 HA THR 77 5.584 4.138 -29.180 645 HB THR 77 HB THR 77 3.465 4.847 -30.340 646 HG1 THR 77 HG1 THR 77 1.486 3.854 -29.442 647 HG21 THR 77 1HG2 THR 77 2.682 2.608 -31.003 648 HG22 THR 77 2HG2 THR 77 3.473 1.892 -29.598 649 HG23 THR 77 3HG2 THR 77 4.447 2.625 -30.874 650 HA PRO 78 HA PRO 78 5.554 8.321 -27.295 651 HB2 PRO 78 2HB PRO 78 5.068 9.272 -30.126 652 HB3 PRO 78 3HB PRO 78 6.286 9.812 -28.948 653 HG2 PRO 78 2HG PRO 78 7.012 8.242 -30.968 654 HG3 PRO 78 3HG PRO 78 7.690 7.981 -29.342 655 HD2 PRO 78 2HD PRO 78 5.541 6.414 -30.761 656 HD3 PRO 78 3HD PRO 78 6.854 5.841 -29.706 657 H GLN 79 H GLN 79 4.028 9.874 -26.665 658 HA GLN 79 HA GLN 79 1.309 9.798 -27.810 659 HB2 GLN 79 2HB GLN 79 1.218 8.163 -26.003 660 HB3 GLN 79 3HB GLN 79 1.989 9.276 -24.879 661 HG2 GLN 79 2HG GLN 79 0.012 10.736 -24.930 662 HG3 GLN 79 3HG GLN 79 -0.755 9.680 -26.121 663 HE21 GLN 79 1HE2 GLN 79 -2.532 9.367 -24.738 664 HE22 GLN 79 2HE2 GLN 79 -2.442 8.354 -23.338 665 H ALA 80 H ALA 80 0.514 11.776 -28.011 666 HA ALA 80 HA ALA 80 1.814 14.097 -26.818 667 HB1 ALA 80 1HB ALA 80 -0.473 13.900 -28.809 668 HB2 ALA 80 2HB ALA 80 1.228 14.155 -29.200 669 HB3 ALA 80 3HB ALA 80 0.338 15.394 -28.316 670 HA PRO 81 HA PRO 81 -1.327 14.265 -23.433 671 HB2 PRO 81 2HB PRO 81 -0.128 17.036 -23.263 672 HB3 PRO 81 3HB PRO 81 -0.450 15.865 -21.965 673 HG2 PRO 81 2HG PRO 81 2.032 16.243 -22.803 674 HG3 PRO 81 3HG PRO 81 1.455 14.601 -22.432 675 HD2 PRO 81 2HD PRO 81 1.844 15.891 -25.125 676 HD3 PRO 81 3HD PRO 81 2.183 14.220 -24.611 677 H VAL 82 H VAL 82 -3.271 14.374 -24.449 678 HA VAL 82 HA VAL 82 -4.167 16.380 -26.229 679 HB VAL 82 HB VAL 82 -5.227 14.094 -25.985 680 HG11 VAL 82 1HG1 VAL 82 -6.615 15.242 -23.542 681 HG12 VAL 82 2HG1 VAL 82 -5.447 13.922 -23.545 682 HG13 VAL 82 3HG1 VAL 82 -7.009 13.714 -24.330 683 HG21 VAL 82 1HG2 VAL 82 -7.535 14.819 -26.487 684 HG22 VAL 82 2HG2 VAL 82 -6.343 15.835 -27.302 685 HG23 VAL 82 3HG2 VAL 82 -7.168 16.430 -25.859 686 H SER 83 H SER 83 -5.187 18.332 -25.906 687 HA SER 83 HA SER 83 -6.385 19.187 -23.463 688 HB2 SER 83 2HB SER 83 -4.735 21.039 -22.930 689 HB3 SER 83 3HB SER 83 -4.090 19.425 -22.656 690 HG SER 83 HG SER 83 -3.589 21.090 -24.907 691 H LYS 84 H LYS 84 -8.058 19.590 -24.983 692 HA LYS 84 HA LYS 84 -7.693 21.582 -27.074 693 HB2 LYS 84 2HB LYS 84 -9.117 19.589 -27.476 694 HB3 LYS 84 3HB LYS 84 -10.213 20.110 -26.199 695 HG2 LYS 84 2HG LYS 84 -10.701 22.186 -27.526 696 HG3 LYS 84 3HG LYS 84 -9.675 21.566 -28.821 697 HD2 LYS 84 2HD LYS 84 -12.240 20.290 -27.782 698 HD3 LYS 84 3HD LYS 84 -12.050 21.138 -29.318 699 HE2 LYS 84 2HE LYS 84 -10.473 19.399 -30.089 700 HE3 LYS 84 3HE LYS 84 -10.629 18.562 -28.543 701 HZ1 LYS 84 1HZ LYS 84 -12.020 17.517 -30.173 702 HZ2 LYS 84 2HZ LYS 84 -12.780 18.977 -30.549 703 HZ3 LYS 84 3HZ LYS 84 -13.009 18.277 -29.032 704 H ARG 85 H ARG 85 -7.502 23.614 -26.306 705 HA ARG 85 HA ARG 85 -9.029 24.728 -24.149 706 HB2 ARG 85 2HB ARG 85 -6.849 25.664 -24.753 707 HB3 ARG 85 3HB ARG 85 -7.420 26.047 -26.374 708 HG2 ARG 85 2HG ARG 85 -9.032 27.683 -25.397 709 HG3 ARG 85 3HG ARG 85 -8.404 27.319 -23.787 710 HD2 ARG 85 2HD ARG 85 -6.817 28.501 -26.094 711 HD3 ARG 85 3HD ARG 85 -7.421 29.396 -24.699 712 HE ARG 85 HE ARG 85 -5.930 27.952 -23.310 713 HH11 ARG 85 1HH1 ARG 85 -5.136 28.401 -26.716 714 HH12 ARG 85 2HH1 ARG 85 -3.444 28.087 -26.488 715 HH21 ARG 85 1HH2 ARG 85 -3.720 27.564 -23.016 716 HH22 ARG 85 2HH2 ARG 85 -2.635 27.614 -24.373 717 H ARG 86 H ARG 86 -11.198 24.424 -24.526 718 HA ARG 86 HA ARG 86 -12.584 25.272 -26.880 719 HB2 ARG 86 2HB ARG 86 -13.713 23.682 -25.436 720 HB3 ARG 86 3HB ARG 86 -13.541 24.738 -24.038 721 HG2 ARG 86 2HG ARG 86 -15.113 26.359 -25.086 722 HG3 ARG 86 3HG ARG 86 -15.317 25.266 -26.455 723 HD2 ARG 86 2HD ARG 86 -16.380 23.603 -25.042 724 HD3 ARG 86 3HD ARG 86 -15.990 24.524 -23.584 725 HE ARG 86 HE ARG 86 -17.488 26.318 -24.565 726 HH11 ARG 86 1HH1 ARG 86 -18.061 22.912 -25.261 727 HH12 ARG 86 2HH1 ARG 86 -19.761 23.135 -25.527 728 HH21 ARG 86 1HH2 ARG 86 -19.702 26.589 -24.892 729 HH22 ARG 86 2HH2 ARG 86 -20.691 25.220 -25.325 730 H ALA 87 H ALA 87 -12.563 27.334 -27.509 731 HA ALA 87 HA ALA 87 -12.320 29.648 -25.872 732 HB1 ALA 87 1HB ALA 87 -11.781 29.714 -28.271 733 HB2 ALA 87 2HB ALA 87 -13.047 30.887 -27.912 734 HB3 ALA 87 3HB ALA 87 -13.459 29.357 -28.692 735 H ALA 88 H ALA 88 -13.754 30.009 -24.322 736 HA ALA 88 HA ALA 88 -16.302 28.869 -24.069 737 HB1 ALA 88 1HB ALA 88 -16.553 30.296 -22.061 738 HB2 ALA 88 2HB ALA 88 -15.136 31.230 -22.550 739 HB3 ALA 88 3HB ALA 88 -14.956 29.530 -22.118 Start of MODEL 18 1 H1 ILE 1 1H ILE 1 -20.165 12.383 27.501 2 H2 ILE 1 2H ILE 1 -18.970 13.398 26.876 3 H3 ILE 1 3H ILE 1 -19.205 13.299 28.545 4 HA ILE 1 HA ILE 1 -18.489 11.039 28.596 5 HB ILE 1 HB ILE 1 -17.567 9.933 26.568 6 HG12 ILE 1 2HG1 ILE 1 -18.623 12.361 25.024 7 HG13 ILE 1 3HG1 ILE 1 -16.929 11.948 25.249 8 HG21 ILE 1 1HG2 ILE 1 -19.705 9.436 25.437 9 HG22 ILE 1 2HG2 ILE 1 -20.450 10.847 26.192 10 HG23 ILE 1 3HG2 ILE 1 -19.909 9.493 27.189 11 HD11 ILE 1 1HD1 ILE 1 -17.650 11.365 23.029 12 HD12 ILE 1 2HD1 ILE 1 -18.953 10.362 23.662 13 HD13 ILE 1 3HD1 ILE 1 -17.268 9.897 23.925 14 H LEU 2 H LEU 2 -16.193 10.510 28.782 15 HA LEU 2 HA LEU 2 -14.553 12.853 29.156 16 HB2 LEU 2 2HB LEU 2 -14.141 9.908 29.726 17 HB3 LEU 2 3HB LEU 2 -12.798 11.029 29.846 18 HG LEU 2 HG LEU 2 -14.089 12.339 31.577 19 HD11 LEU 2 1HD1 LEU 2 -16.364 11.701 31.012 20 HD12 LEU 2 2HD1 LEU 2 -16.019 11.335 32.701 21 HD13 LEU 2 3HD1 LEU 2 -16.048 10.035 31.506 22 HD21 LEU 2 1HD2 LEU 2 -13.699 10.774 33.431 23 HD22 LEU 2 2HD2 LEU 2 -12.377 10.742 32.267 24 HD23 LEU 2 3HD2 LEU 2 -13.564 9.435 32.283 25 H GLU 3 H GLU 3 -15.047 10.729 26.538 26 HA GLU 3 HA GLU 3 -12.496 10.969 25.248 27 HB2 GLU 3 2HB GLU 3 -15.222 10.361 24.012 28 HB3 GLU 3 3HB GLU 3 -13.671 10.154 23.212 29 HG2 GLU 3 2HG GLU 3 -14.301 7.975 23.843 30 HG3 GLU 3 3HG GLU 3 -13.103 8.454 25.044 31 H ALA 4 H ALA 4 -11.968 12.352 23.513 32 HA ALA 4 HA ALA 4 -13.567 14.752 23.023 33 HB1 ALA 4 1HB ALA 4 -12.375 15.263 25.130 34 HB2 ALA 4 2HB ALA 4 -11.776 16.264 23.806 35 HB3 ALA 4 3HB ALA 4 -10.831 14.878 24.363 36 H HIS 5 H HIS 5 -11.958 16.321 21.691 37 HA HIS 5 HA HIS 5 -11.453 14.984 19.229 38 HB2 HIS 5 2HB HIS 5 -10.989 17.827 20.175 39 HB3 HIS 5 3HB HIS 5 -10.480 17.303 18.577 40 HD1 HIS 5 HD1 HIS 5 -13.330 18.718 20.303 41 HD2 HIS 5 HD2 HIS 5 -12.757 16.267 16.998 42 HE1 HIS 5 HE1 HIS 5 -15.445 18.875 18.963 43 HE2 HIS 5 HE2 HIS 5 -15.111 17.300 17.029 44 H TYR 6 H TYR 6 -9.692 14.098 18.471 45 HA TYR 6 HA TYR 6 -7.108 14.307 19.908 46 HB2 TYR 6 2HB TYR 6 -6.625 12.026 19.022 47 HB3 TYR 6 3HB TYR 6 -8.065 12.048 20.025 48 HD1 TYR 6 HD1 TYR 6 -10.370 11.968 18.880 49 HD2 TYR 6 HD2 TYR 6 -6.737 11.224 16.734 50 HE1 TYR 6 HE1 TYR 6 -11.651 10.891 17.083 51 HE2 TYR 6 HE2 TYR 6 -8.020 10.150 14.940 52 HH TYR 6 HH TYR 6 -10.206 9.019 14.659 53 H THR 7 H THR 7 -5.404 15.110 18.801 54 HA THR 7 HA THR 7 -5.750 16.008 16.033 55 HB THR 7 HB THR 7 -3.455 17.139 16.553 56 HG1 THR 7 HG1 THR 7 -3.190 17.365 18.916 57 HG21 THR 7 1HG2 THR 7 -5.588 18.398 16.560 58 HG22 THR 7 2HG2 THR 7 -4.507 18.970 17.832 59 HG23 THR 7 3HG2 THR 7 -5.866 17.918 18.238 60 H ASN 8 H ASN 8 -5.162 14.632 14.432 61 HA ASN 8 HA ASN 8 -3.126 12.552 14.911 62 HB2 ASN 8 2HB ASN 8 -5.359 11.889 13.982 63 HB3 ASN 8 3HB ASN 8 -5.040 12.845 12.544 64 HD21 ASN 8 1HD2 ASN 8 -5.099 11.106 11.125 65 HD22 ASN 8 2HD2 ASN 8 -3.928 9.835 11.131 66 H LEU 9 H LEU 9 -3.951 14.755 12.183 67 HA LEU 9 HA LEU 9 -2.774 15.936 10.702 68 HB2 LEU 9 2HB LEU 9 -1.131 16.395 13.197 69 HB3 LEU 9 3HB LEU 9 -0.638 17.125 11.686 70 HG LEU 9 HG LEU 9 -1.827 18.789 12.937 71 HD11 LEU 9 1HD1 LEU 9 -2.253 18.806 10.538 72 HD12 LEU 9 2HD1 LEU 9 -3.657 19.386 11.430 73 HD13 LEU 9 3HD1 LEU 9 -3.657 17.755 10.752 74 HD21 LEU 9 1HD2 LEU 9 -4.175 16.890 13.196 75 HD22 LEU 9 2HD2 LEU 9 -4.098 18.553 13.778 76 HD23 LEU 9 3HD2 LEU 9 -3.053 17.325 14.484 77 H LYS 10 H LYS 10 -2.443 13.738 9.725 78 HA LYS 10 HA LYS 10 0.185 13.610 8.591 79 HB2 LYS 10 2HB LYS 10 0.771 11.305 9.245 80 HB3 LYS 10 3HB LYS 10 0.601 12.309 10.676 81 HG2 LYS 10 2HG LYS 10 -1.605 11.346 11.139 82 HG3 LYS 10 3HG LYS 10 -1.515 10.379 9.667 83 HD2 LYS 10 2HD LYS 10 -0.994 9.037 11.672 84 HD3 LYS 10 3HD LYS 10 0.386 9.114 10.574 85 HE2 LYS 10 2HE LYS 10 1.039 9.370 12.966 86 HE3 LYS 10 3HE LYS 10 1.467 10.785 12.004 87 HZ1 LYS 10 1HZ LYS 10 -0.949 10.568 13.724 88 HZ2 LYS 10 2HZ LYS 10 -0.441 11.943 12.875 89 HZ3 LYS 10 3HZ LYS 10 0.485 11.350 14.154 90 H CYS 11 H CYS 11 0.169 11.381 7.159 91 HA CYS 11 HA CYS 11 -1.813 11.354 5.233 92 HB2 CYS 11 2HB CYS 11 -0.445 8.771 6.067 93 HB3 CYS 11 3HB CYS 11 -0.759 9.382 4.443 94 H ARG 12 H ARG 12 -3.880 10.330 5.059 95 HA ARG 12 HA ARG 12 -5.250 9.687 7.465 96 HB2 ARG 12 2HB ARG 12 -6.389 10.652 5.462 97 HB3 ARG 12 3HB ARG 12 -6.139 9.150 4.582 98 HG2 ARG 12 2HG ARG 12 -7.679 9.104 7.189 99 HG3 ARG 12 3HG ARG 12 -8.473 9.693 5.732 100 HD2 ARG 12 2HD ARG 12 -8.276 7.562 4.649 101 HD3 ARG 12 3HD ARG 12 -7.132 6.969 5.852 102 HE ARG 12 HE ARG 12 -9.632 7.646 7.041 103 HH11 ARG 12 1HH1 ARG 12 -8.099 5.119 5.125 104 HH12 ARG 12 2HH1 ARG 12 -9.163 3.880 5.698 105 HH21 ARG 12 1HH2 ARG 12 -10.993 5.972 7.808 106 HH22 ARG 12 2HH2 ARG 12 -10.792 4.359 7.211 107 H CYS 13 H CYS 13 -5.200 7.844 8.563 108 HA CYS 13 HA CYS 13 -4.618 5.248 7.333 109 HB2 CYS 13 2HB CYS 13 -2.964 6.453 9.606 110 HB3 CYS 13 3HB CYS 13 -2.808 4.810 8.986 111 H SER 14 H SER 14 -5.850 3.705 8.247 112 HA SER 14 HA SER 14 -7.182 4.170 10.850 113 HB2 SER 14 2HB SER 14 -8.578 3.634 8.774 114 HB3 SER 14 3HB SER 14 -7.811 2.049 8.737 115 HG SER 14 HG SER 14 -8.951 2.857 11.148 116 H GLY 15 H GLY 15 -4.448 3.636 10.880 117 HA2 GLY 15 2HA GLY 15 -2.919 2.307 12.009 118 HA3 GLY 15 3HA GLY 15 -4.141 1.046 12.176 119 H VAL 16 H VAL 16 -2.725 -0.585 11.470 120 HA VAL 16 HA VAL 16 -1.922 -0.574 8.612 121 HB VAL 16 HB VAL 16 -0.381 -2.406 9.101 122 HG11 VAL 16 1HG1 VAL 16 0.503 -0.150 9.464 123 HG12 VAL 16 2HG1 VAL 16 1.233 -1.282 10.604 124 HG13 VAL 16 3HG1 VAL 16 -0.038 -0.184 11.145 125 HG21 VAL 16 1HG2 VAL 16 -1.693 -3.608 10.834 126 HG22 VAL 16 2HG2 VAL 16 -1.322 -2.338 12.003 127 HG23 VAL 16 3HG2 VAL 16 -0.028 -3.345 11.355 128 H ILE 17 H ILE 17 -2.121 -2.787 7.552 129 HA ILE 17 HA ILE 17 -4.802 -3.844 7.951 130 HB ILE 17 HB ILE 17 -4.400 -5.291 5.969 131 HG12 ILE 17 2HG1 ILE 17 -2.274 -4.666 4.506 132 HG13 ILE 17 3HG1 ILE 17 -1.546 -4.199 6.021 133 HG21 ILE 17 1HG2 ILE 17 -3.692 -2.376 5.507 134 HG22 ILE 17 2HG2 ILE 17 -5.316 -3.043 5.686 135 HG23 ILE 17 3HG2 ILE 17 -4.332 -3.489 4.292 136 HD11 ILE 17 1HD1 ILE 17 -0.849 -6.398 5.335 137 HD12 ILE 17 2HD1 ILE 17 -2.524 -6.944 5.298 138 HD13 ILE 17 3HD1 ILE 17 -1.779 -6.489 6.830 139 H SER 18 H SER 18 -5.353 -5.913 8.509 140 HA SER 18 HA SER 18 -3.275 -7.675 9.680 141 HB2 SER 18 2HB SER 18 -5.247 -8.632 10.984 142 HB3 SER 18 3HB SER 18 -4.837 -6.968 11.370 143 HG SER 18 HG SER 18 -7.164 -7.908 10.582 144 H THR 19 H THR 19 -4.697 -7.366 6.830 145 HA THR 19 HA THR 19 -4.933 -10.257 6.309 146 HB THR 19 HB THR 19 -6.889 -8.164 5.245 147 HG1 THR 19 HG1 THR 19 -7.063 -10.055 7.339 148 HG21 THR 19 1HG2 THR 19 -6.536 -10.030 3.643 149 HG22 THR 19 2HG2 THR 19 -8.157 -10.086 4.340 150 HG23 THR 19 3HG2 THR 19 -6.913 -11.195 4.921 151 H VAL 20 H VAL 20 -3.783 -10.825 4.559 152 HA VAL 20 HA VAL 20 -2.134 -8.984 3.145 153 HB VAL 20 HB VAL 20 -2.729 -11.940 2.621 154 HG11 VAL 20 1HG1 VAL 20 -0.756 -11.956 1.104 155 HG12 VAL 20 2HG1 VAL 20 -0.636 -10.200 1.248 156 HG13 VAL 20 3HG1 VAL 20 -2.049 -10.927 0.480 157 HG21 VAL 20 1HG2 VAL 20 -1.489 -11.536 4.721 158 HG22 VAL 20 2HG2 VAL 20 -0.288 -10.580 3.853 159 HG23 VAL 20 3HG2 VAL 20 -0.440 -12.309 3.535 160 H VAL 21 H VAL 21 -2.777 -7.685 1.580 161 HA VAL 21 HA VAL 21 -5.484 -7.739 0.611 162 HB VAL 21 HB VAL 21 -3.250 -5.777 -0.074 163 HG11 VAL 21 1HG1 VAL 21 -6.271 -5.422 -0.261 164 HG12 VAL 21 2HG1 VAL 21 -5.166 -5.613 -1.626 165 HG13 VAL 21 3HG1 VAL 21 -5.058 -4.183 -0.600 166 HG21 VAL 21 1HG2 VAL 21 -3.570 -5.929 2.373 167 HG22 VAL 21 2HG2 VAL 21 -5.294 -5.598 2.177 168 HG23 VAL 21 3HG2 VAL 21 -4.105 -4.368 1.755 169 H GLY 22 H GLY 22 -6.186 -8.470 -1.301 170 HA2 GLY 22 2HA GLY 22 -4.591 -10.082 -2.974 171 HA3 GLY 22 3HA GLY 22 -6.246 -9.598 -3.289 172 H LEU 23 H LEU 23 -3.660 -9.782 -4.943 173 HA LEU 23 HA LEU 23 -2.760 -7.262 -5.773 174 HB2 LEU 23 2HB LEU 23 -1.733 -9.548 -6.227 175 HB3 LEU 23 3HB LEU 23 -2.921 -9.772 -7.494 176 HG LEU 23 HG LEU 23 -0.957 -7.438 -7.587 177 HD11 LEU 23 1HD1 LEU 23 0.564 -8.776 -8.976 178 HD12 LEU 23 2HD1 LEU 23 -0.432 -10.210 -8.704 179 HD13 LEU 23 3HD1 LEU 23 0.417 -9.451 -7.354 180 HD21 LEU 23 1HD2 LEU 23 -1.308 -7.549 -10.037 181 HD22 LEU 23 2HD2 LEU 23 -2.821 -7.287 -9.177 182 HD23 LEU 23 3HD2 LEU 23 -2.441 -8.885 -9.813 183 H ASN 24 H ASN 24 -5.539 -9.174 -6.782 184 HA ASN 24 HA ASN 24 -6.270 -7.808 -9.126 185 HB2 ASN 24 2HB ASN 24 -7.127 -10.035 -8.573 186 HB3 ASN 24 3HB ASN 24 -7.957 -9.402 -7.161 187 HD21 ASN 24 1HD2 ASN 24 -7.873 -9.298 -10.688 188 HD22 ASN 24 2HD2 ASN 24 -9.545 -8.911 -10.894 189 H ILE 25 H ILE 25 -6.909 -7.056 -5.726 190 HA ILE 25 HA ILE 25 -8.863 -4.963 -6.495 191 HB ILE 25 HB ILE 25 -9.432 -4.712 -4.121 192 HG12 ILE 25 2HG1 ILE 25 -7.482 -6.990 -3.508 193 HG13 ILE 25 3HG1 ILE 25 -7.177 -5.297 -3.146 194 HG21 ILE 25 1HG2 ILE 25 -10.551 -6.882 -3.785 195 HG22 ILE 25 2HG2 ILE 25 -9.512 -7.619 -5.007 196 HG23 ILE 25 3HG2 ILE 25 -10.658 -6.357 -5.467 197 HD11 ILE 25 1HD1 ILE 25 -9.386 -6.982 -1.973 198 HD12 ILE 25 2HD1 ILE 25 -9.060 -5.287 -1.597 199 HD13 ILE 25 3HD1 ILE 25 -7.877 -6.525 -1.188 200 H ILE 26 H ILE 26 -5.530 -5.183 -5.959 201 HA ILE 26 HA ILE 26 -5.021 -2.583 -4.868 202 HB ILE 26 HB ILE 26 -3.286 -4.246 -6.762 203 HG12 ILE 26 2HG1 ILE 26 -3.750 -5.399 -4.568 204 HG13 ILE 26 3HG1 ILE 26 -2.048 -5.052 -4.818 205 HG21 ILE 26 1HG2 ILE 26 -2.591 -1.899 -6.832 206 HG22 ILE 26 2HG2 ILE 26 -1.371 -2.858 -5.994 207 HG23 ILE 26 3HG2 ILE 26 -2.487 -1.850 -5.069 208 HD11 ILE 26 1HD1 ILE 26 -3.947 -3.617 -2.973 209 HD12 ILE 26 2HD1 ILE 26 -2.290 -3.095 -3.290 210 HD13 ILE 26 3HD1 ILE 26 -2.598 -4.663 -2.548 211 H ASP 27 H ASP 27 -5.782 -0.740 -5.828 212 HA ASP 27 HA ASP 27 -6.093 -0.541 -8.739 213 HB2 ASP 27 2HB ASP 27 -7.899 0.352 -7.339 214 HB3 ASP 27 3HB ASP 27 -6.776 1.416 -6.505 215 H ARG 28 H ARG 28 -4.418 1.240 -6.108 216 HA ARG 28 HA ARG 28 -2.082 1.630 -7.821 217 HB2 ARG 28 2HB ARG 28 -2.025 4.028 -7.770 218 HB3 ARG 28 3HB ARG 28 -3.627 3.577 -8.339 219 HG2 ARG 28 2HG ARG 28 -4.417 3.941 -5.919 220 HG3 ARG 28 3HG ARG 28 -2.851 4.693 -5.626 221 HD2 ARG 28 2HD ARG 28 -4.432 6.443 -6.082 222 HD3 ARG 28 3HD ARG 28 -3.377 6.314 -7.491 223 HE ARG 28 HE ARG 28 -5.331 4.770 -8.329 224 HH11 ARG 28 1HH1 ARG 28 -5.735 7.787 -6.554 225 HH12 ARG 28 2HH1 ARG 28 -7.273 8.130 -7.272 226 HH21 ARG 28 1HH2 ARG 28 -7.349 5.239 -9.229 227 HH22 ARG 28 2HH2 ARG 28 -8.184 6.690 -8.786 228 H ILE 29 H ILE 29 -0.214 1.995 -6.685 229 HA ILE 29 HA ILE 29 -0.324 1.828 -3.719 230 HB ILE 29 HB ILE 29 1.849 0.965 -5.705 231 HG12 ILE 29 2HG1 ILE 29 0.082 -0.743 -3.889 232 HG13 ILE 29 3HG1 ILE 29 -0.147 -0.543 -5.622 233 HG21 ILE 29 1HG2 ILE 29 3.105 0.054 -3.797 234 HG22 ILE 29 2HG2 ILE 29 1.891 0.679 -2.680 235 HG23 ILE 29 3HG2 ILE 29 2.882 1.796 -3.622 236 HD11 ILE 29 1HD1 ILE 29 2.213 -1.864 -4.275 237 HD12 ILE 29 2HD1 ILE 29 2.025 -1.628 -6.017 238 HD13 ILE 29 3HD1 ILE 29 0.895 -2.657 -5.141 239 H GLN 30 H GLN 30 -0.110 3.897 -2.942 240 HA GLN 30 HA GLN 30 1.780 5.769 -4.252 241 HB2 GLN 30 2HB GLN 30 -0.486 6.662 -4.000 242 HB3 GLN 30 3HB GLN 30 -0.492 6.277 -2.289 243 HG2 GLN 30 2HG GLN 30 -0.156 8.668 -2.575 244 HG3 GLN 30 3HG GLN 30 1.309 7.944 -1.911 245 HE21 GLN 30 1HE2 GLN 30 -0.108 9.524 -4.652 246 HE22 GLN 30 2HE2 GLN 30 1.364 9.808 -5.509 247 H VAL 31 H VAL 31 3.690 6.049 -3.311 248 HA VAL 31 HA VAL 31 4.214 5.026 -0.588 249 HB VAL 31 HB VAL 31 6.147 5.803 -2.833 250 HG11 VAL 31 1HG1 VAL 31 7.929 4.779 -1.439 251 HG12 VAL 31 2HG1 VAL 31 6.766 4.534 -0.135 252 HG13 VAL 31 3HG1 VAL 31 7.195 6.170 -0.637 253 HG21 VAL 31 1HG2 VAL 31 4.930 3.725 -3.389 254 HG22 VAL 31 2HG2 VAL 31 5.365 3.030 -1.830 255 HG23 VAL 31 3HG2 VAL 31 6.617 3.366 -3.023 256 H THR 32 H THR 32 4.021 6.584 0.969 257 HA THR 32 HA THR 32 4.493 9.422 0.319 258 HB THR 32 HB THR 32 3.459 8.303 2.962 259 HG1 THR 32 HG1 THR 32 1.782 7.733 1.829 260 HG21 THR 32 1HG2 THR 32 2.475 10.547 3.238 261 HG22 THR 32 2HG2 THR 32 3.100 11.037 1.664 262 HG23 THR 32 3HG2 THR 32 4.219 10.687 2.986 263 HA PRO 33 HA PRO 33 8.539 8.725 2.468 264 HB2 PRO 33 2HB PRO 33 9.803 10.953 1.500 265 HB3 PRO 33 3HB PRO 33 9.616 9.478 0.525 266 HG2 PRO 33 2HG PRO 33 7.973 12.001 0.450 267 HG3 PRO 33 3HG PRO 33 8.626 11.039 -0.899 268 HD2 PRO 33 2HD PRO 33 6.035 10.813 -0.063 269 HD3 PRO 33 3HD PRO 33 6.927 9.452 -0.775 270 HA PRO 34 HA PRO 34 8.030 11.248 6.167 271 HB2 PRO 34 2HB PRO 34 10.651 12.277 6.532 272 HB3 PRO 34 3HB PRO 34 10.073 10.697 7.094 273 HG2 PRO 34 2HG PRO 34 11.568 11.363 4.573 274 HG3 PRO 34 3HG PRO 34 11.800 10.001 5.695 275 HD2 PRO 34 2HD PRO 34 10.519 9.582 3.417 276 HD3 PRO 34 3HD PRO 34 9.880 8.852 4.911 277 H GLY 35 H GLY 35 6.653 12.915 5.522 278 HA2 GLY 35 2HA GLY 35 7.835 15.535 4.950 279 HA3 GLY 35 3HA GLY 35 6.809 14.850 3.691 280 H ASN 36 H ASN 36 4.548 14.622 4.095 281 HA ASN 36 HA ASN 36 3.565 16.883 5.634 282 HB2 ASN 36 2HB ASN 36 2.080 14.955 3.798 283 HB3 ASN 36 3HB ASN 36 1.374 16.394 4.527 284 HD21 ASN 36 1HD2 ASN 36 0.973 17.552 2.693 285 HD22 ASN 36 2HD2 ASN 36 2.186 18.066 1.577 286 H GLY 37 H GLY 37 4.055 16.018 7.724 287 HA2 GLY 37 2HA GLY 37 3.202 15.538 9.797 288 HA3 GLY 37 3HA GLY 37 1.728 14.958 9.047 289 H CYS 38 H CYS 38 3.443 13.032 7.357 290 HA CYS 38 HA CYS 38 3.770 10.905 9.325 291 HB2 CYS 38 2HB CYS 38 3.915 10.948 6.283 292 HB3 CYS 38 3HB CYS 38 4.270 9.508 7.239 293 HA PRO 39 HA PRO 39 8.111 12.218 9.425 294 HB2 PRO 39 2HB PRO 39 8.845 11.023 11.745 295 HB3 PRO 39 3HB PRO 39 7.717 12.397 11.730 296 HG2 PRO 39 2HG PRO 39 7.118 9.474 12.061 297 HG3 PRO 39 3HG PRO 39 6.385 10.879 12.867 298 HD2 PRO 39 2HD PRO 39 5.282 9.530 10.659 299 HD3 PRO 39 3HD PRO 39 4.824 11.160 11.197 300 H LYS 40 H LYS 40 6.960 9.053 8.904 301 HA LYS 40 HA LYS 40 9.606 8.185 7.894 302 HB2 LYS 40 2HB LYS 40 7.565 6.420 9.341 303 HB3 LYS 40 3HB LYS 40 8.914 5.786 8.416 304 HG2 LYS 40 2HG LYS 40 9.741 5.677 10.586 305 HG3 LYS 40 3HG LYS 40 10.406 7.207 10.009 306 HD2 LYS 40 2HD LYS 40 8.338 8.311 11.117 307 HD3 LYS 40 3HD LYS 40 8.092 6.759 11.919 308 HE2 LYS 40 2HE LYS 40 10.598 8.465 12.124 309 HE3 LYS 40 3HE LYS 40 9.316 8.388 13.331 310 HZ1 LYS 40 1HZ LYS 40 11.053 6.121 12.499 311 HZ2 LYS 40 2HZ LYS 40 9.802 6.038 13.635 312 HZ3 LYS 40 3HZ LYS 40 11.166 6.984 13.947 313 H THR 41 H THR 41 9.280 6.360 6.255 314 HA THR 41 HA THR 41 7.499 7.182 4.188 315 HB THR 41 HB THR 41 9.156 4.630 4.359 316 HG1 THR 41 HG1 THR 41 10.539 6.361 4.572 317 HG21 THR 41 1HG2 THR 41 8.056 6.127 1.936 318 HG22 THR 41 2HG2 THR 41 7.469 4.570 2.535 319 HG23 THR 41 3HG2 THR 41 9.103 4.705 1.884 320 H GLU 42 H GLU 42 5.388 6.690 4.154 321 HA GLU 42 HA GLU 42 4.360 4.142 5.255 322 HB2 GLU 42 2HB GLU 42 3.877 6.369 6.565 323 HB3 GLU 42 3HB GLU 42 2.797 6.770 5.237 324 HG2 GLU 42 2HG GLU 42 1.499 5.812 7.045 325 HG3 GLU 42 3HG GLU 42 1.511 4.667 5.696 326 H VAL 43 H VAL 43 3.648 2.947 3.597 327 HA VAL 43 HA VAL 43 3.028 4.107 1.008 328 HB VAL 43 HB VAL 43 3.008 1.189 1.906 329 HG11 VAL 43 1HG1 VAL 43 1.529 1.500 -0.039 330 HG12 VAL 43 2HG1 VAL 43 2.991 0.639 -0.526 331 HG13 VAL 43 3HG1 VAL 43 2.812 2.356 -0.899 332 HG21 VAL 43 1HG2 VAL 43 5.259 2.156 2.016 333 HG22 VAL 43 2HG2 VAL 43 5.101 2.776 0.372 334 HG23 VAL 43 3HG2 VAL 43 5.158 1.034 0.655 335 H VAL 44 H VAL 44 1.083 5.082 0.912 336 HA VAL 44 HA VAL 44 -1.297 3.862 2.094 337 HB VAL 44 HB VAL 44 -2.518 5.940 1.548 338 HG11 VAL 44 1HG1 VAL 44 0.082 6.463 3.049 339 HG12 VAL 44 2HG1 VAL 44 -1.382 5.750 3.728 340 HG13 VAL 44 3HG1 VAL 44 -1.395 7.426 3.179 341 HG21 VAL 44 1HG2 VAL 44 -1.257 6.659 -0.485 342 HG22 VAL 44 2HG2 VAL 44 0.120 7.096 0.528 343 HG23 VAL 44 3HG2 VAL 44 -1.408 7.958 0.697 344 H ILE 45 H ILE 45 -2.333 2.393 0.909 345 HA ILE 45 HA ILE 45 -2.151 2.411 -2.037 346 HB ILE 45 HB ILE 45 -3.002 0.147 -0.174 347 HG12 ILE 45 2HG1 ILE 45 -0.357 0.494 -1.658 348 HG13 ILE 45 3HG1 ILE 45 -0.586 0.737 0.074 349 HG21 ILE 45 1HG2 ILE 45 -2.447 0.068 -3.163 350 HG22 ILE 45 2HG2 ILE 45 -4.033 -0.065 -2.402 351 HG23 ILE 45 3HG2 ILE 45 -2.832 -1.331 -2.153 352 HD11 ILE 45 1HD1 ILE 45 -1.240 -1.655 0.265 353 HD12 ILE 45 2HD1 ILE 45 0.410 -1.389 -0.280 354 HD13 ILE 45 3HD1 ILE 45 -0.827 -1.860 -1.444 355 H TRP 46 H TRP 46 -3.939 2.781 -3.227 356 HA TRP 46 HA TRP 46 -6.619 2.881 -1.998 357 HB2 TRP 46 2HB TRP 46 -5.562 3.751 -4.725 358 HB3 TRP 46 3HB TRP 46 -7.274 3.754 -4.319 359 HD1 TRP 46 HD1 TRP 46 -3.979 5.499 -3.219 360 HE1 TRP 46 HE1 TRP 46 -4.600 7.808 -2.289 361 HE3 TRP 46 HE3 TRP 46 -9.067 5.093 -3.412 362 HZ2 TRP 46 HZ2 TRP 46 -6.950 9.283 -1.723 363 HZ3 TRP 46 HZ3 TRP 46 -10.440 6.993 -2.661 364 HH2 TRP 46 HH2 TRP 46 -9.402 9.051 -1.831 365 H THR 47 H THR 47 -7.946 1.164 -2.213 366 HA THR 47 HA THR 47 -7.370 -0.994 -4.107 367 HB THR 47 HB THR 47 -9.394 -2.094 -3.180 368 HG1 THR 47 HG1 THR 47 -10.308 -0.898 -1.243 369 HG21 THR 47 1HG2 THR 47 -7.593 -0.985 -0.991 370 HG22 THR 47 2HG2 THR 47 -7.269 -2.420 -1.969 371 HG23 THR 47 3HG2 THR 47 -8.633 -2.405 -0.848 372 H LYS 48 H LYS 48 -9.186 -1.756 -5.590 373 HA LYS 48 HA LYS 48 -10.233 0.272 -7.279 374 HB2 LYS 48 2HB LYS 48 -11.401 -1.545 -8.482 375 HB3 LYS 48 3HB LYS 48 -9.733 -1.952 -8.154 376 HG2 LYS 48 2HG LYS 48 -10.766 -3.979 -7.725 377 HG3 LYS 48 3HG LYS 48 -10.710 -3.296 -6.106 378 HD2 LYS 48 2HD LYS 48 -12.869 -4.308 -6.450 379 HD3 LYS 48 3HD LYS 48 -13.086 -2.560 -6.375 380 HE2 LYS 48 2HE LYS 48 -14.489 -3.485 -8.140 381 HE3 LYS 48 3HE LYS 48 -13.220 -2.509 -8.877 382 HZ1 LYS 48 1HZ LYS 48 -13.134 -5.469 -8.622 383 HZ2 LYS 48 2HZ LYS 48 -12.027 -4.496 -9.451 384 HZ3 LYS 48 3HZ LYS 48 -13.613 -4.637 -10.016 385 H MET 49 H MET 49 -11.409 -1.165 -4.403 386 HA MET 49 HA MET 49 -14.123 -0.137 -4.548 387 HB2 MET 49 2HB MET 49 -12.523 -1.507 -2.337 388 HB3 MET 49 3HB MET 49 -14.219 -1.053 -2.182 389 HG2 MET 49 2HG MET 49 -14.893 -2.617 -3.849 390 HG3 MET 49 3HG MET 49 -13.232 -2.900 -4.369 391 HE1 MET 49 1HE MET 49 -11.772 -5.136 -1.574 392 HE2 MET 49 2HE MET 49 -11.527 -3.411 -1.837 393 HE3 MET 49 3HE MET 49 -11.556 -4.518 -3.210 394 H LYS 50 H LYS 50 -11.204 1.278 -4.130 395 HA LYS 50 HA LYS 50 -10.447 3.287 -3.612 396 HB2 LYS 50 2HB LYS 50 -13.400 3.999 -3.533 397 HB3 LYS 50 3HB LYS 50 -12.103 5.195 -3.507 398 HG2 LYS 50 2HG LYS 50 -12.662 3.204 -5.748 399 HG3 LYS 50 3HG LYS 50 -13.029 4.936 -5.775 400 HD2 LYS 50 2HD LYS 50 -10.645 5.498 -5.702 401 HD3 LYS 50 3HD LYS 50 -10.201 3.803 -5.488 402 HE2 LYS 50 2HE LYS 50 -9.805 4.535 -7.799 403 HE3 LYS 50 3HE LYS 50 -11.050 3.286 -7.734 404 HZ1 LYS 50 1HZ LYS 50 -11.635 5.097 -9.239 405 HZ2 LYS 50 2HZ LYS 50 -11.566 6.206 -7.965 406 HZ3 LYS 50 3HZ LYS 50 -12.736 4.988 -7.964 407 H LYS 51 H LYS 51 -10.591 1.446 -1.577 408 HA LYS 51 HA LYS 51 -10.961 2.973 0.887 409 HB2 LYS 51 2HB LYS 51 -11.528 0.555 0.879 410 HB3 LYS 51 3HB LYS 51 -9.868 0.162 0.440 411 HG2 LYS 51 2HG LYS 51 -9.089 1.146 2.606 412 HG3 LYS 51 3HG LYS 51 -10.770 1.458 3.044 413 HD2 LYS 51 2HD LYS 51 -9.527 -1.278 2.543 414 HD3 LYS 51 3HD LYS 51 -9.917 -0.586 4.120 415 HE2 LYS 51 2HE LYS 51 -11.894 -1.342 1.940 416 HE3 LYS 51 3HE LYS 51 -11.655 -2.156 3.485 417 HZ1 LYS 51 1HZ LYS 51 -12.390 -0.099 4.592 418 HZ2 LYS 51 2HZ LYS 51 -13.579 -0.762 3.598 419 HZ3 LYS 51 3HZ LYS 51 -12.717 0.589 3.079 420 H VAL 52 H VAL 52 -9.327 3.937 1.978 421 HA VAL 52 HA VAL 52 -6.595 3.943 0.855 422 HB VAL 52 HB VAL 52 -7.728 5.770 3.040 423 HG11 VAL 52 1HG1 VAL 52 -5.791 7.230 2.492 424 HG12 VAL 52 2HG1 VAL 52 -5.233 6.047 1.306 425 HG13 VAL 52 3HG1 VAL 52 -5.257 5.632 3.022 426 HG21 VAL 52 1HG2 VAL 52 -7.560 6.303 0.046 427 HG22 VAL 52 2HG2 VAL 52 -7.963 7.510 1.270 428 HG23 VAL 52 3HG2 VAL 52 -9.038 6.140 0.999 429 H ILE 53 H ILE 53 -5.240 2.512 1.778 430 HA ILE 53 HA ILE 53 -5.425 1.944 4.701 431 HB ILE 53 HB ILE 53 -4.387 -0.293 4.274 432 HG12 ILE 53 2HG1 ILE 53 -4.908 0.217 1.307 433 HG13 ILE 53 3HG1 ILE 53 -3.317 0.275 2.052 434 HG21 ILE 53 1HG2 ILE 53 -6.395 -1.433 3.461 435 HG22 ILE 53 2HG2 ILE 53 -7.003 0.076 2.779 436 HG23 ILE 53 3HG2 ILE 53 -6.836 -0.096 4.529 437 HD11 ILE 53 1HD1 ILE 53 -3.640 -1.802 0.910 438 HD12 ILE 53 2HD1 ILE 53 -5.108 -2.135 1.828 439 HD13 ILE 53 3HD1 ILE 53 -3.539 -2.095 2.645 440 H CYS 54 H CYS 54 -3.452 1.814 5.839 441 HA CYS 54 HA CYS 54 -1.075 2.924 4.456 442 HB2 CYS 54 2HB CYS 54 -2.005 3.283 7.325 443 HB3 CYS 54 3HB CYS 54 -0.422 3.798 6.732 444 H VAL 55 H VAL 55 0.472 1.453 4.204 445 HA VAL 55 HA VAL 55 1.039 -0.543 6.309 446 HB VAL 55 HB VAL 55 1.591 -2.235 4.571 447 HG11 VAL 55 1HG1 VAL 55 -0.714 -2.802 3.855 448 HG12 VAL 55 2HG1 VAL 55 -1.254 -1.195 4.335 449 HG13 VAL 55 3HG1 VAL 55 -0.643 -2.321 5.549 450 HG21 VAL 55 1HG2 VAL 55 0.975 -1.936 2.205 451 HG22 VAL 55 2HG2 VAL 55 2.135 -0.703 2.702 452 HG23 VAL 55 3HG2 VAL 55 0.431 -0.287 2.537 453 H ASN 56 H ASN 56 3.267 -1.163 6.378 454 HA ASN 56 HA ASN 56 5.102 0.964 5.740 455 HB2 ASN 56 2HB ASN 56 5.529 -1.776 7.012 456 HB3 ASN 56 3HB ASN 56 6.784 -0.552 6.868 457 HD21 ASN 56 1HD2 ASN 56 4.963 1.712 7.499 458 HD22 ASN 56 2HD2 ASN 56 4.656 1.576 9.189 459 HA PRO 57 HA PRO 57 6.528 -0.426 1.755 460 HB2 PRO 57 2HB PRO 57 9.189 0.354 1.758 461 HB3 PRO 57 3HB PRO 57 7.838 1.501 1.610 462 HG2 PRO 57 2HG PRO 57 9.391 0.742 4.082 463 HG3 PRO 57 3HG PRO 57 8.927 2.361 3.497 464 HD2 PRO 57 2HD PRO 57 7.500 1.152 5.435 465 HD3 PRO 57 3HD PRO 57 6.691 2.129 4.192 466 H ARG 58 H ARG 58 7.821 -1.779 4.619 467 HA ARG 58 HA ARG 58 9.395 -3.830 3.192 468 HB2 ARG 58 2HB ARG 58 9.525 -2.932 6.105 469 HB3 ARG 58 3HB ARG 58 10.555 -4.169 5.381 470 HG2 ARG 58 2HG ARG 58 10.482 -1.265 4.473 471 HG3 ARG 58 3HG ARG 58 11.640 -1.906 5.641 472 HD2 ARG 58 2HD ARG 58 12.775 -3.173 4.021 473 HD3 ARG 58 3HD ARG 58 11.413 -3.192 2.903 474 HE ARG 58 HE ARG 58 13.263 -0.943 3.378 475 HH11 ARG 58 1HH1 ARG 58 10.700 -2.392 1.432 476 HH12 ARG 58 2HH1 ARG 58 10.880 -1.251 0.147 477 HH21 ARG 58 1HH2 ARG 58 13.493 0.521 1.668 478 HH22 ARG 58 2HH2 ARG 58 12.465 0.404 0.278 479 H ALA 59 H ALA 59 6.349 -3.614 3.966 480 HA ALA 59 HA ALA 59 5.827 -6.048 5.374 481 HB1 ALA 59 1HB ALA 59 4.019 -4.464 5.091 482 HB2 ALA 59 2HB ALA 59 3.573 -5.938 4.229 483 HB3 ALA 59 3HB ALA 59 4.148 -4.529 3.338 484 H LYS 60 H LYS 60 6.072 -8.121 4.670 485 HA LYS 60 HA LYS 60 7.926 -8.627 2.661 486 HB2 LYS 60 2HB LYS 60 7.605 -10.042 4.673 487 HB3 LYS 60 3HB LYS 60 6.081 -10.637 4.020 488 HG2 LYS 60 2HG LYS 60 7.265 -11.719 2.156 489 HG3 LYS 60 3HG LYS 60 8.806 -11.060 2.723 490 HD2 LYS 60 2HD LYS 60 8.588 -12.368 4.820 491 HD3 LYS 60 3HD LYS 60 7.045 -13.022 4.258 492 HE2 LYS 60 2HE LYS 60 8.863 -14.651 3.924 493 HE3 LYS 60 3HE LYS 60 8.203 -14.122 2.376 494 HZ1 LYS 60 1HZ LYS 60 10.678 -13.044 3.605 495 HZ2 LYS 60 2HZ LYS 60 10.072 -12.671 2.072 496 HZ3 LYS 60 3HZ LYS 60 10.635 -14.229 2.402 497 H TRP 61 H TRP 61 4.391 -9.221 2.616 498 HA TRP 61 HA TRP 61 4.267 -10.408 0.055 499 HB2 TRP 61 2HB TRP 61 1.839 -9.964 0.138 500 HB3 TRP 61 3HB TRP 61 2.415 -10.655 1.645 501 HD1 TRP 61 HD1 TRP 61 2.404 -9.022 3.827 502 HE1 TRP 61 HE1 TRP 61 1.081 -6.885 4.355 503 HE3 TRP 61 HE3 TRP 61 0.801 -7.843 -0.895 504 HZ2 TRP 61 HZ2 TRP 61 -0.423 -4.960 2.976 505 HZ3 TRP 61 HZ3 TRP 61 -0.576 -5.822 -1.207 506 HH2 TRP 61 HH2 TRP 61 -1.174 -4.402 0.700 507 H LEU 62 H LEU 62 4.169 -7.042 1.114 508 HA LEU 62 HA LEU 62 3.278 -5.856 -1.307 509 HB2 LEU 62 2HB LEU 62 3.140 -4.737 0.901 510 HB3 LEU 62 3HB LEU 62 4.897 -4.655 0.956 511 HG LEU 62 HG LEU 62 4.803 -3.171 -1.131 512 HD11 LEU 62 1HD1 LEU 62 2.657 -2.014 -1.606 513 HD12 LEU 62 2HD1 LEU 62 1.842 -3.139 -0.512 514 HD13 LEU 62 3HD1 LEU 62 2.616 -3.735 -1.976 515 HD21 LEU 62 1HD2 LEU 62 3.483 -2.118 1.375 516 HD22 LEU 62 2HD2 LEU 62 4.189 -1.129 0.099 517 HD23 LEU 62 3HD2 LEU 62 5.213 -2.198 1.053 518 H GLN 63 H GLN 63 6.483 -6.684 -0.034 519 HA GLN 63 HA GLN 63 8.166 -5.344 -1.803 520 HB2 GLN 63 2HB GLN 63 8.459 -8.041 -0.437 521 HB3 GLN 63 3HB GLN 63 9.764 -7.328 -1.387 522 HG2 GLN 63 2HG GLN 63 8.482 -5.981 1.022 523 HG3 GLN 63 3HG GLN 63 9.946 -6.965 1.100 524 HE21 GLN 63 1HE2 GLN 63 11.868 -6.152 0.204 525 HE22 GLN 63 2HE2 GLN 63 12.069 -4.485 -0.199 526 H ARG 64 H ARG 64 6.398 -8.370 -2.260 527 HA ARG 64 HA ARG 64 7.497 -9.087 -4.787 528 HB2 ARG 64 2HB ARG 64 4.912 -9.907 -3.407 529 HB3 ARG 64 3HB ARG 64 5.351 -10.501 -5.000 530 HG2 ARG 64 2HG ARG 64 5.940 -12.180 -3.393 531 HG3 ARG 64 3HG ARG 64 7.429 -11.492 -4.039 532 HD2 ARG 64 2HD ARG 64 7.685 -10.134 -1.992 533 HD3 ARG 64 3HD ARG 64 6.172 -10.789 -1.362 534 HE ARG 64 HE ARG 64 8.722 -12.227 -1.681 535 HH11 ARG 64 1HH1 ARG 64 5.440 -12.205 -0.413 536 HH12 ARG 64 2HH1 ARG 64 5.688 -13.611 0.567 537 HH21 ARG 64 1HH2 ARG 64 9.016 -14.075 -0.426 538 HH22 ARG 64 2HH2 ARG 64 7.722 -14.672 0.558 539 H LEU 65 H LEU 65 4.735 -7.116 -3.803 540 HA LEU 65 HA LEU 65 3.613 -6.627 -6.377 541 HB2 LEU 65 2HB LEU 65 3.409 -5.265 -3.688 542 HB3 LEU 65 3HB LEU 65 2.762 -4.445 -5.080 543 HG LEU 65 HG LEU 65 0.998 -5.554 -3.790 544 HD11 LEU 65 1HD1 LEU 65 0.680 -5.267 -6.205 545 HD12 LEU 65 2HD1 LEU 65 -0.175 -6.667 -5.568 546 HD13 LEU 65 3HD1 LEU 65 1.314 -6.894 -6.485 547 HD21 LEU 65 1HD2 LEU 65 0.785 -7.999 -3.669 548 HD22 LEU 65 2HD2 LEU 65 2.222 -7.425 -2.827 549 HD23 LEU 65 3HD2 LEU 65 2.377 -8.181 -4.416 550 H LEU 66 H LEU 66 6.043 -4.970 -4.415 551 HA LEU 66 HA LEU 66 6.419 -2.699 -6.101 552 HB2 LEU 66 2HB LEU 66 8.199 -3.837 -3.911 553 HB3 LEU 66 3HB LEU 66 8.398 -2.249 -4.644 554 HG LEU 66 HG LEU 66 5.993 -3.126 -2.984 555 HD11 LEU 66 1HD1 LEU 66 8.254 -1.274 -2.194 556 HD12 LEU 66 2HD1 LEU 66 7.991 -2.913 -1.593 557 HD13 LEU 66 3HD1 LEU 66 6.819 -1.650 -1.234 558 HD21 LEU 66 1HD2 LEU 66 5.336 -0.747 -3.012 559 HD22 LEU 66 2HD2 LEU 66 5.326 -1.455 -4.621 560 HD23 LEU 66 3HD2 LEU 66 6.655 -0.398 -4.138 561 H ARG 67 H ARG 67 7.774 -5.932 -6.004 562 HA ARG 67 HA ARG 67 9.921 -5.362 -7.884 563 HB2 ARG 67 2HB ARG 67 9.967 -7.136 -6.026 564 HB3 ARG 67 3HB ARG 67 8.867 -8.084 -7.012 565 HG2 ARG 67 2HG ARG 67 11.576 -7.201 -8.051 566 HG3 ARG 67 3HG ARG 67 11.400 -8.650 -7.069 567 HD2 ARG 67 2HD ARG 67 10.033 -8.171 -9.745 568 HD3 ARG 67 3HD ARG 67 11.481 -9.156 -9.495 569 HE ARG 67 HE ARG 67 9.246 -9.945 -7.857 570 HH11 ARG 67 1HH1 ARG 67 10.661 -10.389 -11.052 571 HH12 ARG 67 2HH1 ARG 67 9.895 -11.924 -11.293 572 HH21 ARG 67 1HH2 ARG 67 8.332 -11.991 -8.172 573 HH22 ARG 67 2HH2 ARG 67 8.577 -12.830 -9.668 574 H HIS 68 H HIS 68 6.611 -6.630 -7.978 575 HA HIS 68 HA HIS 68 6.741 -7.518 -10.723 576 HB2 HIS 68 2HB HIS 68 4.440 -7.278 -8.750 577 HB3 HIS 68 3HB HIS 68 4.159 -7.717 -10.430 578 HD1 HIS 68 HD1 HIS 68 4.246 -9.384 -7.422 579 HD2 HIS 68 HD2 HIS 68 6.312 -10.000 -10.972 580 HE1 HIS 68 HE1 HIS 68 4.953 -11.791 -7.389 581 HE2 HIS 68 HE2 HIS 68 6.019 -12.180 -9.628 582 H VAL 69 H VAL 69 5.979 -4.481 -9.155 583 HA VAL 69 HA VAL 69 4.741 -3.305 -11.497 584 HB VAL 69 HB VAL 69 4.378 -2.512 -9.071 585 HG11 VAL 69 1HG1 VAL 69 6.728 -2.334 -8.369 586 HG12 VAL 69 2HG1 VAL 69 5.892 -0.795 -8.170 587 HG13 VAL 69 3HG1 VAL 69 6.993 -1.031 -9.530 588 HG21 VAL 69 1HG2 VAL 69 4.998 -0.405 -11.175 589 HG22 VAL 69 2HG2 VAL 69 4.020 -0.147 -9.728 590 HG23 VAL 69 3HG2 VAL 69 3.467 -1.266 -10.976 591 H GLN 70 H GLN 70 7.998 -3.893 -10.432 592 HA GLN 70 HA GLN 70 9.292 -2.180 -12.368 593 HB2 GLN 70 2HB GLN 70 10.507 -2.966 -10.357 594 HB3 GLN 70 3HB GLN 70 10.320 -4.638 -10.865 595 HG2 GLN 70 2HG GLN 70 12.593 -3.870 -11.324 596 HG3 GLN 70 3HG GLN 70 11.755 -4.207 -12.838 597 HE21 GLN 70 1HE2 GLN 70 12.983 -1.674 -10.747 598 HE22 GLN 70 2HE2 GLN 70 12.989 -0.418 -11.931 599 H SER 71 H SER 71 9.921 -2.718 -14.433 600 HA SER 71 HA SER 71 9.777 -3.579 -16.509 601 HB2 SER 71 2HB SER 71 11.084 -5.473 -15.430 602 HB3 SER 71 3HB SER 71 9.561 -6.321 -15.178 603 HG SER 71 HG SER 71 9.318 -6.505 -17.363 604 H LYS 72 H LYS 72 7.555 -2.532 -15.345 605 HA LYS 72 HA LYS 72 5.178 -3.985 -15.185 606 HB2 LYS 72 2HB LYS 72 5.628 -1.725 -14.214 607 HB3 LYS 72 3HB LYS 72 5.557 -1.028 -15.826 608 HG2 LYS 72 2HG LYS 72 3.170 -1.721 -15.992 609 HG3 LYS 72 3HG LYS 72 3.260 -2.368 -14.348 610 HD2 LYS 72 2HD LYS 72 3.741 -0.108 -13.466 611 HD3 LYS 72 3HD LYS 72 3.734 0.553 -15.106 612 HE2 LYS 72 2HE LYS 72 1.355 -0.693 -13.676 613 HE3 LYS 72 3HE LYS 72 1.607 1.031 -13.959 614 HZ1 LYS 72 1HZ LYS 72 1.480 0.640 -16.323 615 HZ2 LYS 72 2HZ LYS 72 0.093 0.050 -15.569 616 HZ3 LYS 72 3HZ LYS 72 1.287 -1.027 -16.085 617 H SER 73 H SER 73 6.626 -2.283 -17.924 618 HA SER 73 HA SER 73 4.668 -3.548 -19.763 619 HB2 SER 73 2HB SER 73 5.095 -1.562 -21.289 620 HB3 SER 73 3HB SER 73 4.247 -1.160 -19.796 621 HG SER 73 HG SER 73 6.826 -0.496 -20.626 622 H LEU 74 H LEU 74 6.275 -5.280 -19.479 623 HA LEU 74 HA LEU 74 8.691 -5.077 -21.149 624 HB2 LEU 74 2HB LEU 74 8.808 -6.285 -18.961 625 HB3 LEU 74 3HB LEU 74 7.572 -7.399 -19.513 626 HG LEU 74 HG LEU 74 9.197 -8.179 -21.332 627 HD11 LEU 74 1HD1 LEU 74 11.597 -7.685 -21.056 628 HD12 LEU 74 2HD1 LEU 74 11.211 -6.524 -19.780 629 HD13 LEU 74 3HD1 LEU 74 10.670 -6.237 -21.434 630 HD21 LEU 74 1HD2 LEU 74 10.548 -9.582 -19.833 631 HD22 LEU 74 2HD2 LEU 74 8.875 -9.488 -19.289 632 HD23 LEU 74 3HD2 LEU 74 10.121 -8.547 -18.465 633 H SER 75 H SER 75 8.833 -6.140 -23.161 634 HA SER 75 HA SER 75 6.510 -6.729 -24.638 635 HB2 SER 75 2HB SER 75 8.106 -7.743 -26.313 636 HB3 SER 75 3HB SER 75 8.565 -6.122 -25.785 637 HG SER 75 HG SER 75 10.192 -7.973 -25.849 638 H SER 76 H SER 76 5.147 -8.308 -24.062 639 HA SER 76 HA SER 76 5.848 -10.662 -22.622 640 HB2 SER 76 2HB SER 76 3.605 -9.588 -22.445 641 HB3 SER 76 3HB SER 76 3.266 -10.001 -24.127 642 HG SER 76 HG SER 76 3.722 -11.825 -21.982 643 H THR 77 H THR 77 5.740 -12.832 -23.356 644 HA THR 77 HA THR 77 6.797 -13.303 -26.004 645 HB THR 77 HB THR 77 6.864 -15.720 -25.224 646 HG1 THR 77 HG1 THR 77 5.690 -16.269 -23.565 647 HG21 THR 77 1HG2 THR 77 8.557 -15.411 -23.455 648 HG22 THR 77 2HG2 THR 77 8.041 -13.737 -23.235 649 HG23 THR 77 3HG2 THR 77 8.796 -14.238 -24.751 650 HA PRO 78 HA PRO 78 2.869 -14.524 -27.973 651 HB2 PRO 78 2HB PRO 78 4.321 -16.775 -29.326 652 HB3 PRO 78 3HB PRO 78 3.441 -15.412 -30.048 653 HG2 PRO 78 2HG PRO 78 6.097 -15.482 -30.144 654 HG3 PRO 78 3HG PRO 78 5.241 -13.949 -29.837 655 HD2 PRO 78 2HD PRO 78 6.600 -15.769 -27.836 656 HD3 PRO 78 3HD PRO 78 6.691 -14.000 -28.001 657 H GLN 79 H GLN 79 1.817 -16.894 -28.638 658 HA GLN 79 HA GLN 79 1.931 -18.723 -26.331 659 HB2 GLN 79 2HB GLN 79 -0.537 -18.673 -26.081 660 HB3 GLN 79 3HB GLN 79 0.181 -17.103 -25.739 661 HG2 GLN 79 2HG GLN 79 -0.617 -16.182 -27.817 662 HG3 GLN 79 3HG GLN 79 -1.056 -17.777 -28.425 663 HE21 GLN 79 1HE2 GLN 79 -1.992 -15.152 -26.343 664 HE22 GLN 79 2HE2 GLN 79 -3.607 -15.691 -26.061 665 H ALA 80 H ALA 80 2.805 -18.854 -29.107 666 HA ALA 80 HA ALA 80 2.993 -20.296 -30.799 667 HB1 ALA 80 1HB ALA 80 0.911 -22.039 -29.431 668 HB2 ALA 80 2HB ALA 80 2.652 -22.138 -29.185 669 HB3 ALA 80 3HB ALA 80 1.965 -22.535 -30.762 670 HA PRO 81 HA PRO 81 -0.100 -18.578 -33.583 671 HB2 PRO 81 2HB PRO 81 0.572 -19.879 -35.935 672 HB3 PRO 81 3HB PRO 81 1.563 -18.581 -35.235 673 HG2 PRO 81 2HG PRO 81 1.936 -21.559 -34.995 674 HG3 PRO 81 3HG PRO 81 3.144 -20.306 -35.369 675 HD2 PRO 81 2HD PRO 81 2.933 -21.310 -32.880 676 HD3 PRO 81 3HD PRO 81 3.305 -19.593 -33.144 677 H VAL 82 H VAL 82 -1.725 -19.434 -35.345 678 HA VAL 82 HA VAL 82 -3.710 -20.786 -34.054 679 HB VAL 82 HB VAL 82 -4.189 -19.390 -35.984 680 HG11 VAL 82 1HG1 VAL 82 -2.967 -21.567 -37.713 681 HG12 VAL 82 2HG1 VAL 82 -2.423 -19.896 -37.576 682 HG13 VAL 82 3HG1 VAL 82 -3.967 -20.260 -38.337 683 HG21 VAL 82 1HG2 VAL 82 -5.251 -22.209 -36.419 684 HG22 VAL 82 2HG2 VAL 82 -5.989 -20.717 -37.005 685 HG23 VAL 82 3HG2 VAL 82 -5.898 -21.026 -35.272 686 H SER 83 H SER 83 -3.667 -22.725 -33.224 687 HA SER 83 HA SER 83 -2.241 -24.987 -34.258 688 HB2 SER 83 2HB SER 83 -2.524 -24.492 -31.795 689 HB3 SER 83 3HB SER 83 -4.240 -24.864 -31.940 690 HG SER 83 HG SER 83 -3.779 -26.951 -32.076 691 H LYS 84 H LYS 84 -3.044 -26.141 -35.918 692 HA LYS 84 HA LYS 84 -5.778 -25.961 -36.781 693 HB2 LYS 84 2HB LYS 84 -3.530 -27.745 -37.827 694 HB3 LYS 84 3HB LYS 84 -5.060 -27.410 -38.643 695 HG2 LYS 84 2HG LYS 84 -2.861 -25.393 -38.042 696 HG3 LYS 84 3HG LYS 84 -3.249 -26.088 -39.623 697 HD2 LYS 84 2HD LYS 84 -5.484 -25.009 -39.545 698 HD3 LYS 84 3HD LYS 84 -5.100 -24.312 -37.965 699 HE2 LYS 84 2HE LYS 84 -4.798 -22.636 -39.710 700 HE3 LYS 84 3HE LYS 84 -3.236 -23.045 -39.006 701 HZ1 LYS 84 1HZ LYS 84 -3.116 -22.891 -41.404 702 HZ2 LYS 84 2HZ LYS 84 -4.296 -24.083 -41.578 703 HZ3 LYS 84 3HZ LYS 84 -2.798 -24.475 -40.906 704 H ARG 85 H ARG 85 -7.172 -26.910 -35.409 705 HA ARG 85 HA ARG 85 -6.813 -29.391 -34.063 706 HB2 ARG 85 2HB ARG 85 -8.376 -27.640 -33.235 707 HB3 ARG 85 3HB ARG 85 -9.395 -27.868 -34.656 708 HG2 ARG 85 2HG ARG 85 -9.815 -30.235 -33.922 709 HG3 ARG 85 3HG ARG 85 -8.861 -29.925 -32.471 710 HD2 ARG 85 2HD ARG 85 -10.507 -28.098 -31.879 711 HD3 ARG 85 3HD ARG 85 -11.498 -28.627 -33.244 712 HE ARG 85 HE ARG 85 -12.139 -30.493 -32.053 713 HH11 ARG 85 1HH1 ARG 85 -9.529 -28.903 -30.304 714 HH12 ARG 85 2HH1 ARG 85 -9.734 -29.865 -28.878 715 HH21 ARG 85 1HH2 ARG 85 -12.393 -31.735 -30.138 716 HH22 ARG 85 2HH2 ARG 85 -11.347 -31.463 -28.783 717 H ARG 86 H ARG 86 -7.739 -31.422 -34.535 718 HA ARG 86 HA ARG 86 -7.821 -32.187 -37.260 719 HB2 ARG 86 2HB ARG 86 -7.103 -33.684 -35.399 720 HB3 ARG 86 3HB ARG 86 -8.762 -33.762 -34.823 721 HG2 ARG 86 2HG ARG 86 -8.085 -35.782 -36.105 722 HG3 ARG 86 3HG ARG 86 -9.460 -34.950 -36.836 723 HD2 ARG 86 2HD ARG 86 -7.732 -35.743 -38.496 724 HD3 ARG 86 3HD ARG 86 -8.056 -34.004 -38.568 725 HE ARG 86 HE ARG 86 -5.842 -34.644 -36.855 726 HH11 ARG 86 1HH1 ARG 86 -6.672 -34.082 -40.239 727 HH12 ARG 86 2HH1 ARG 86 -5.052 -33.628 -40.670 728 HH21 ARG 86 1HH2 ARG 86 -3.766 -34.010 -37.434 729 HH22 ARG 86 2HH2 ARG 86 -3.409 -33.589 -39.077 730 H ALA 87 H ALA 87 -9.397 -31.227 -38.444 731 HA ALA 87 HA ALA 87 -12.217 -31.260 -37.691 732 HB1 ALA 87 1HB ALA 87 -12.555 -30.095 -39.845 733 HB2 ALA 87 2HB ALA 87 -10.856 -30.337 -40.254 734 HB3 ALA 87 3HB ALA 87 -11.298 -29.310 -38.890 735 H ALA 88 H ALA 88 -13.716 -32.010 -39.660 736 HA ALA 88 HA ALA 88 -12.817 -34.528 -40.870 737 HB1 ALA 88 1HB ALA 88 -13.667 -35.202 -38.641 738 HB2 ALA 88 2HB ALA 88 -14.690 -35.825 -39.938 739 HB3 ALA 88 3HB ALA 88 -15.212 -34.428 -38.993 Start of MODEL 19 1 H1 ILE 1 1H ILE 1 -4.167 21.276 24.589 2 H2 ILE 1 2H ILE 1 -5.788 21.320 24.127 3 H3 ILE 1 3H ILE 1 -4.574 21.292 22.949 4 HA ILE 1 HA ILE 1 -3.920 19.135 23.512 5 HB ILE 1 HB ILE 1 -5.269 17.794 25.235 6 HG12 ILE 1 2HG1 ILE 1 -6.179 19.284 27.183 7 HG13 ILE 1 3HG1 ILE 1 -6.259 20.583 26.003 8 HG21 ILE 1 1HG2 ILE 1 -2.962 18.482 25.634 9 HG22 ILE 1 2HG2 ILE 1 -3.887 18.574 27.132 10 HG23 ILE 1 3HG2 ILE 1 -3.500 20.050 26.243 11 HD11 ILE 1 1HD1 ILE 1 -8.414 19.481 26.397 12 HD12 ILE 1 2HD1 ILE 1 -7.740 17.957 25.826 13 HD13 ILE 1 3HD1 ILE 1 -7.902 19.321 24.717 14 H LEU 2 H LEU 2 -6.238 20.724 22.082 15 HA LEU 2 HA LEU 2 -8.304 18.817 21.577 16 HB2 LEU 2 2HB LEU 2 -7.512 21.432 20.271 17 HB3 LEU 2 3HB LEU 2 -8.725 20.409 19.520 18 HG LEU 2 HG LEU 2 -10.139 20.607 21.573 19 HD11 LEU 2 1HD1 LEU 2 -8.094 22.609 22.536 20 HD12 LEU 2 2HD1 LEU 2 -8.429 21.031 23.252 21 HD13 LEU 2 3HD1 LEU 2 -9.666 22.285 23.278 22 HD21 LEU 2 1HD2 LEU 2 -10.873 22.924 21.205 23 HD22 LEU 2 2HD2 LEU 2 -10.548 22.095 19.683 24 HD23 LEU 2 3HD2 LEU 2 -9.382 23.259 20.320 25 H GLU 3 H GLU 3 -7.581 16.909 20.812 26 HA GLU 3 HA GLU 3 -5.736 16.278 18.869 27 HB2 GLU 3 2HB GLU 3 -7.132 14.175 18.489 28 HB3 GLU 3 3HB GLU 3 -6.712 14.506 20.164 29 HG2 GLU 3 2HG GLU 3 -9.012 15.445 20.520 30 HG3 GLU 3 3HG GLU 3 -9.406 15.017 18.867 31 H ALA 4 H ALA 4 -5.653 16.310 16.652 32 HA ALA 4 HA ALA 4 -7.499 18.111 15.302 33 HB1 ALA 4 1HB ALA 4 -5.080 18.412 15.029 34 HB2 ALA 4 2HB ALA 4 -5.840 18.077 13.476 35 HB3 ALA 4 3HB ALA 4 -4.936 16.805 14.308 36 H HIS 5 H HIS 5 -8.972 17.571 13.805 37 HA HIS 5 HA HIS 5 -9.262 14.761 12.890 38 HB2 HIS 5 2HB HIS 5 -11.053 15.511 14.455 39 HB3 HIS 5 3HB HIS 5 -11.444 16.843 13.375 40 HD1 HIS 5 HD1 HIS 5 -11.554 13.043 13.517 41 HD2 HIS 5 HD2 HIS 5 -13.280 16.186 11.412 42 HE1 HIS 5 HE1 HIS 5 -13.417 12.020 12.178 43 HE2 HIS 5 HE2 HIS 5 -14.379 13.926 10.845 44 H TYR 6 H TYR 6 -10.250 18.106 12.011 45 HA TYR 6 HA TYR 6 -10.602 17.551 9.242 46 HB2 TYR 6 2HB TYR 6 -10.328 20.204 10.729 47 HB3 TYR 6 3HB TYR 6 -10.699 20.089 9.014 48 HD1 TYR 6 HD1 TYR 6 -12.899 19.162 8.264 49 HD2 TYR 6 HD2 TYR 6 -12.054 19.763 12.412 50 HE1 TYR 6 HE1 TYR 6 -15.291 18.977 8.777 51 HE2 TYR 6 HE2 TYR 6 -14.460 19.578 12.926 52 HH TYR 6 HH TYR 6 -16.744 18.437 10.634 53 H THR 7 H THR 7 -8.012 19.270 11.035 54 HA THR 7 HA THR 7 -6.149 19.064 8.802 55 HB THR 7 HB THR 7 -4.457 19.839 10.605 56 HG1 THR 7 HG1 THR 7 -6.262 20.890 12.282 57 HG21 THR 7 1HG2 THR 7 -5.453 21.450 9.023 58 HG22 THR 7 2HG2 THR 7 -5.233 22.174 10.615 59 HG23 THR 7 3HG2 THR 7 -6.840 21.663 10.095 60 H ASN 8 H ASN 8 -4.725 17.400 8.519 61 HA ASN 8 HA ASN 8 -4.535 15.251 10.519 62 HB2 ASN 8 2HB ASN 8 -3.453 15.495 7.678 63 HB3 ASN 8 3HB ASN 8 -3.100 14.136 8.738 64 HD21 ASN 8 1HD2 ASN 8 -5.531 15.665 6.776 65 HD22 ASN 8 2HD2 ASN 8 -6.676 14.377 6.855 66 H LEU 9 H LEU 9 -3.218 15.791 12.123 67 HA LEU 9 HA LEU 9 -0.992 17.542 12.010 68 HB2 LEU 9 2HB LEU 9 -2.392 16.889 14.052 69 HB3 LEU 9 3HB LEU 9 -1.541 15.364 14.080 70 HG LEU 9 HG LEU 9 -0.757 17.061 15.784 71 HD11 LEU 9 1HD1 LEU 9 1.634 16.690 15.567 72 HD12 LEU 9 2HD1 LEU 9 1.439 16.207 13.881 73 HD13 LEU 9 3HD1 LEU 9 0.741 15.223 15.168 74 HD21 LEU 9 1HD2 LEU 9 -1.011 19.088 14.417 75 HD22 LEU 9 2HD2 LEU 9 0.340 18.587 13.397 76 HD23 LEU 9 3HD2 LEU 9 0.612 18.971 15.097 77 H LYS 10 H LYS 10 -1.310 14.023 11.974 78 HA LYS 10 HA LYS 10 1.529 13.673 11.264 79 HB2 LYS 10 2HB LYS 10 1.194 11.284 11.752 80 HB3 LYS 10 3HB LYS 10 0.752 12.279 13.131 81 HG2 LYS 10 2HG LYS 10 -1.618 11.944 12.691 82 HG3 LYS 10 3HG LYS 10 -1.264 11.104 11.182 83 HD2 LYS 10 2HD LYS 10 -0.463 10.117 13.948 84 HD3 LYS 10 3HD LYS 10 -1.881 9.565 13.059 85 HE2 LYS 10 2HE LYS 10 0.994 9.250 12.121 86 HE3 LYS 10 3HE LYS 10 0.018 7.987 12.868 87 HZ1 LYS 10 1HZ LYS 10 -0.628 9.343 10.308 88 HZ2 LYS 10 2HZ LYS 10 -1.517 8.101 11.037 89 HZ3 LYS 10 3HZ LYS 10 0.042 7.799 10.466 90 H CYS 11 H CYS 11 1.899 11.857 9.675 91 HA CYS 11 HA CYS 11 0.961 12.464 7.111 92 HB2 CYS 11 2HB CYS 11 2.116 10.227 6.519 93 HB3 CYS 11 3HB CYS 11 3.105 11.444 7.321 94 H ARG 12 H ARG 12 -0.308 11.239 5.633 95 HA ARG 12 HA ARG 12 -2.823 10.511 6.715 96 HB2 ARG 12 2HB ARG 12 -2.836 11.584 4.603 97 HB3 ARG 12 3HB ARG 12 -1.666 10.468 3.921 98 HG2 ARG 12 2HG ARG 12 -3.301 8.738 3.688 99 HG3 ARG 12 3HG ARG 12 -4.464 9.604 4.697 100 HD2 ARG 12 2HD ARG 12 -4.857 9.647 2.161 101 HD3 ARG 12 3HD ARG 12 -4.924 11.192 3.010 102 HE ARG 12 HE ARG 12 -2.300 10.731 2.001 103 HH11 ARG 12 1HH1 ARG 12 -5.533 11.604 0.868 104 HH12 ARG 12 2HH1 ARG 12 -4.939 12.495 -0.495 105 HH21 ARG 12 1HH2 ARG 12 -1.555 12.031 0.253 106 HH22 ARG 12 2HH2 ARG 12 -2.699 12.736 -0.841 107 H CYS 13 H CYS 13 -3.398 8.703 7.566 108 HA CYS 13 HA CYS 13 -2.538 6.098 6.564 109 HB2 CYS 13 2HB CYS 13 -0.914 6.770 8.364 110 HB3 CYS 13 3HB CYS 13 -2.255 6.906 9.491 111 H SER 14 H SER 14 -4.464 5.281 6.081 112 HA SER 14 HA SER 14 -6.913 6.095 7.433 113 HB2 SER 14 2HB SER 14 -6.752 6.061 4.956 114 HB3 SER 14 3HB SER 14 -6.424 4.330 4.990 115 HG SER 14 HG SER 14 -8.478 3.934 5.326 116 H GLY 15 H GLY 15 -5.290 4.595 9.141 117 HA2 GLY 15 2HA GLY 15 -5.377 2.886 10.646 118 HA3 GLY 15 3HA GLY 15 -6.881 2.344 9.911 119 H VAL 16 H VAL 16 -5.124 0.468 10.753 120 HA VAL 16 HA VAL 16 -3.471 -0.414 8.458 121 HB VAL 16 HB VAL 16 -2.317 -1.913 9.997 122 HG11 VAL 16 1HG1 VAL 16 -1.275 -0.306 11.571 123 HG12 VAL 16 2HG1 VAL 16 -2.581 0.842 11.267 124 HG13 VAL 16 3HG1 VAL 16 -1.483 0.388 9.962 125 HG21 VAL 16 1HG2 VAL 16 -4.222 -2.611 11.418 126 HG22 VAL 16 2HG2 VAL 16 -4.224 -1.036 12.212 127 HG23 VAL 16 3HG2 VAL 16 -2.844 -2.115 12.401 128 H ILE 17 H ILE 17 -3.455 -2.882 8.193 129 HA ILE 17 HA ILE 17 -6.205 -3.952 8.384 130 HB ILE 17 HB ILE 17 -5.560 -5.276 6.187 131 HG12 ILE 17 2HG1 ILE 17 -4.226 -3.814 4.562 132 HG13 ILE 17 3HG1 ILE 17 -3.636 -2.911 5.941 133 HG21 ILE 17 1HG2 ILE 17 -6.307 -2.342 6.064 134 HG22 ILE 17 2HG2 ILE 17 -7.413 -3.686 6.362 135 HG23 ILE 17 3HG2 ILE 17 -6.605 -3.541 4.800 136 HD11 ILE 17 1HD1 ILE 17 -3.150 -5.831 5.373 137 HD12 ILE 17 2HD1 ILE 17 -2.526 -4.938 6.761 138 HD13 ILE 17 3HD1 ILE 17 -2.006 -4.510 5.133 139 H SER 18 H SER 18 -6.462 -5.937 9.150 140 HA SER 18 HA SER 18 -4.113 -7.530 9.954 141 HB2 SER 18 2HB SER 18 -5.913 -6.980 11.646 142 HB3 SER 18 3HB SER 18 -7.061 -7.895 10.686 143 HG SER 18 HG SER 18 -4.981 -9.479 11.084 144 H THR 19 H THR 19 -5.790 -7.206 7.230 145 HA THR 19 HA THR 19 -5.810 -10.072 6.519 146 HB THR 19 HB THR 19 -7.416 -7.799 5.251 147 HG1 THR 19 HG1 THR 19 -7.888 -9.122 7.504 148 HG21 THR 19 1HG2 THR 19 -7.664 -10.805 4.824 149 HG22 THR 19 2HG2 THR 19 -6.935 -9.677 3.679 150 HG23 THR 19 3HG2 THR 19 -8.651 -9.552 4.066 151 H VAL 20 H VAL 20 -4.215 -10.598 5.076 152 HA VAL 20 HA VAL 20 -2.615 -8.744 3.666 153 HB VAL 20 HB VAL 20 -1.849 -11.077 4.139 154 HG11 VAL 20 1HG1 VAL 20 -2.499 -12.973 2.675 155 HG12 VAL 20 2HG1 VAL 20 -3.766 -11.980 1.958 156 HG13 VAL 20 3HG1 VAL 20 -3.847 -12.415 3.662 157 HG21 VAL 20 1HG2 VAL 20 -0.671 -9.746 2.448 158 HG22 VAL 20 2HG2 VAL 20 -1.758 -10.343 1.193 159 HG23 VAL 20 3HG2 VAL 20 -0.657 -11.455 2.008 160 H VAL 21 H VAL 21 -2.962 -7.702 1.758 161 HA VAL 21 HA VAL 21 -5.613 -7.872 0.563 162 HB VAL 21 HB VAL 21 -4.594 -5.669 1.175 163 HG11 VAL 21 1HG1 VAL 21 -2.843 -4.672 -0.281 164 HG12 VAL 21 2HG1 VAL 21 -2.642 -6.234 -1.072 165 HG13 VAL 21 3HG1 VAL 21 -2.263 -6.061 0.641 166 HG21 VAL 21 1HG2 VAL 21 -6.409 -5.740 -0.466 167 HG22 VAL 21 2HG2 VAL 21 -5.248 -5.965 -1.774 168 HG23 VAL 21 3HG2 VAL 21 -5.271 -4.450 -0.867 169 H GLY 22 H GLY 22 -6.046 -8.453 -1.551 170 HA2 GLY 22 2HA GLY 22 -4.197 -10.195 -2.921 171 HA3 GLY 22 3HA GLY 22 -5.837 -9.800 -3.408 172 H LEU 23 H LEU 23 -2.988 -9.771 -4.695 173 HA LEU 23 HA LEU 23 -2.385 -7.185 -5.581 174 HB2 LEU 23 2HB LEU 23 -0.920 -9.218 -5.805 175 HB3 LEU 23 3HB LEU 23 -1.924 -9.773 -7.124 176 HG LEU 23 HG LEU 23 -0.549 -7.069 -7.337 177 HD11 LEU 23 1HD1 LEU 23 1.443 -8.086 -8.340 178 HD12 LEU 23 2HD1 LEU 23 0.813 -9.697 -7.992 179 HD13 LEU 23 3HD1 LEU 23 1.239 -8.614 -6.669 180 HD21 LEU 23 1HD2 LEU 23 -2.157 -7.628 -9.109 181 HD22 LEU 23 2HD2 LEU 23 -1.275 -9.111 -9.465 182 HD23 LEU 23 3HD2 LEU 23 -0.517 -7.543 -9.757 183 H ASN 24 H ASN 24 -4.719 -9.536 -6.684 184 HA ASN 24 HA ASN 24 -5.498 -8.446 -9.147 185 HB2 ASN 24 2HB ASN 24 -6.046 -10.755 -8.339 186 HB3 ASN 24 3HB ASN 24 -7.178 -10.063 -7.178 187 HD21 ASN 24 1HD2 ASN 24 -8.985 -11.070 -8.034 188 HD22 ASN 24 2HD2 ASN 24 -9.633 -10.709 -9.593 189 H ILE 25 H ILE 25 -6.405 -7.529 -5.840 190 HA ILE 25 HA ILE 25 -8.653 -5.877 -6.836 191 HB ILE 25 HB ILE 25 -9.524 -5.737 -4.571 192 HG12 ILE 25 2HG1 ILE 25 -7.079 -7.318 -3.651 193 HG13 ILE 25 3HG1 ILE 25 -7.413 -5.635 -3.283 194 HG21 ILE 25 1HG2 ILE 25 -8.772 -8.611 -5.205 195 HG22 ILE 25 2HG2 ILE 25 -10.143 -7.729 -5.874 196 HG23 ILE 25 3HG2 ILE 25 -10.095 -8.102 -4.152 197 HD11 ILE 25 1HD1 ILE 25 -7.878 -7.047 -1.380 198 HD12 ILE 25 2HD1 ILE 25 -9.004 -8.017 -2.326 199 HD13 ILE 25 3HD1 ILE 25 -9.373 -6.331 -1.970 200 H ILE 26 H ILE 26 -5.455 -5.393 -6.404 201 HA ILE 26 HA ILE 26 -5.410 -2.805 -5.110 202 HB ILE 26 HB ILE 26 -3.366 -4.024 -7.045 203 HG12 ILE 26 2HG1 ILE 26 -3.699 -5.456 -5.027 204 HG13 ILE 26 3HG1 ILE 26 -2.076 -4.794 -5.119 205 HG21 ILE 26 1HG2 ILE 26 -1.717 -2.442 -6.074 206 HG22 ILE 26 2HG2 ILE 26 -2.989 -1.711 -5.094 207 HG23 ILE 26 3HG2 ILE 26 -3.055 -1.594 -6.852 208 HD11 ILE 26 1HD1 ILE 26 -2.803 -4.752 -2.878 209 HD12 ILE 26 2HD1 ILE 26 -4.307 -3.950 -3.297 210 HD13 ILE 26 3HD1 ILE 26 -2.775 -3.085 -3.441 211 H ASP 27 H ASP 27 -5.627 -0.761 -6.086 212 HA ASP 27 HA ASP 27 -6.091 -0.666 -9.027 213 HB2 ASP 27 2HB ASP 27 -7.999 0.157 -7.684 214 HB3 ASP 27 3HB ASP 27 -6.957 1.322 -6.883 215 H ARG 28 H ARG 28 -4.739 1.359 -6.392 216 HA ARG 28 HA ARG 28 -2.298 1.881 -7.942 217 HB2 ARG 28 2HB ARG 28 -4.162 4.094 -6.945 218 HB3 ARG 28 3HB ARG 28 -2.485 4.391 -7.354 219 HG2 ARG 28 2HG ARG 28 -4.591 3.381 -9.292 220 HG3 ARG 28 3HG ARG 28 -4.074 5.058 -9.155 221 HD2 ARG 28 2HD ARG 28 -1.790 4.423 -9.857 222 HD3 ARG 28 3HD ARG 28 -2.286 2.729 -9.963 223 HE ARG 28 HE ARG 28 -4.020 4.088 -11.608 224 HH11 ARG 28 1HH1 ARG 28 -0.508 3.715 -11.499 225 HH12 ARG 28 2HH1 ARG 28 -0.330 3.900 -13.215 226 HH21 ARG 28 1HH2 ARG 28 -3.750 4.326 -13.858 227 HH22 ARG 28 2HH2 ARG 28 -2.164 4.251 -14.548 228 H ILE 29 H ILE 29 -0.530 2.257 -6.647 229 HA ILE 29 HA ILE 29 -0.857 2.080 -3.708 230 HB ILE 29 HB ILE 29 1.485 1.330 -5.520 231 HG12 ILE 29 2HG1 ILE 29 -0.259 -0.387 -3.704 232 HG13 ILE 29 3HG1 ILE 29 -0.368 -0.314 -5.455 233 HG21 ILE 29 1HG2 ILE 29 2.722 0.581 -3.493 234 HG22 ILE 29 2HG2 ILE 29 1.467 1.287 -2.481 235 HG23 ILE 29 3HG2 ILE 29 2.454 2.326 -3.501 236 HD11 ILE 29 1HD1 ILE 29 1.999 -1.334 -3.905 237 HD12 ILE 29 2HD1 ILE 29 1.822 -1.308 -5.658 238 HD13 ILE 29 3HD1 ILE 29 0.757 -2.313 -4.678 239 H GLN 30 H GLN 30 -0.833 4.104 -2.866 240 HA GLN 30 HA GLN 30 0.766 6.233 -4.112 241 HB2 GLN 30 2HB GLN 30 -1.568 6.749 -3.461 242 HB3 GLN 30 3HB GLN 30 -1.213 6.309 -1.794 243 HG2 GLN 30 2HG GLN 30 0.584 8.197 -1.900 244 HG3 GLN 30 3HG GLN 30 -0.275 8.731 -3.344 245 HE21 GLN 30 1HE2 GLN 30 0.093 10.053 -0.762 246 HE22 GLN 30 2HE2 GLN 30 -1.482 10.368 -0.152 247 H VAL 31 H VAL 31 2.658 6.830 -3.299 248 HA VAL 31 HA VAL 31 3.464 6.115 -0.563 249 HB VAL 31 HB VAL 31 4.512 4.435 -2.022 250 HG11 VAL 31 1HG1 VAL 31 5.770 6.719 -3.569 251 HG12 VAL 31 2HG1 VAL 31 4.656 5.496 -4.189 252 HG13 VAL 31 3HG1 VAL 31 6.278 5.036 -3.690 253 HG21 VAL 31 1HG2 VAL 31 5.744 5.178 -0.042 254 HG22 VAL 31 2HG2 VAL 31 6.565 6.409 -1.000 255 HG23 VAL 31 3HG2 VAL 31 6.850 4.699 -1.330 256 H THR 32 H THR 32 3.708 8.032 0.447 257 HA THR 32 HA THR 32 4.805 10.349 -1.062 258 HB THR 32 HB THR 32 3.102 10.563 1.447 259 HG1 THR 32 HG1 THR 32 1.644 9.738 0.118 260 HG21 THR 32 1HG2 THR 32 3.719 12.605 -0.729 261 HG22 THR 32 2HG2 THR 32 4.396 12.601 0.900 262 HG23 THR 32 3HG2 THR 32 2.670 12.872 0.673 263 HA PRO 33 HA PRO 33 8.549 9.856 1.402 264 HB2 PRO 33 2HB PRO 33 9.297 12.606 1.294 265 HB3 PRO 33 3HB PRO 33 9.705 11.370 0.095 266 HG2 PRO 33 2HG PRO 33 7.442 13.336 0.060 267 HG3 PRO 33 3HG PRO 33 8.511 12.823 -1.268 268 HD2 PRO 33 2HD PRO 33 6.070 11.821 -1.140 269 HD3 PRO 33 3HD PRO 33 7.434 10.728 -1.497 270 HA PRO 34 HA PRO 34 7.501 10.797 5.610 271 HB2 PRO 34 2HB PRO 34 9.931 10.766 6.854 272 HB3 PRO 34 3HB PRO 34 9.250 9.306 6.108 273 HG2 PRO 34 2HG PRO 34 11.267 11.224 4.956 274 HG3 PRO 34 3HG PRO 34 11.339 9.446 5.044 275 HD2 PRO 34 2HD PRO 34 10.536 10.698 2.789 276 HD3 PRO 34 3HD PRO 34 9.810 9.157 3.299 277 H GLY 35 H GLY 35 8.335 12.214 7.595 278 HA2 GLY 35 2HA GLY 35 9.057 14.273 8.456 279 HA3 GLY 35 3HA GLY 35 9.267 14.899 6.829 280 H ASN 36 H ASN 36 6.321 13.501 6.730 281 HA ASN 36 HA ASN 36 4.891 16.018 7.195 282 HB2 ASN 36 2HB ASN 36 4.513 14.748 5.059 283 HB3 ASN 36 3HB ASN 36 3.919 13.371 5.982 284 HD21 ASN 36 1HD2 ASN 36 1.861 13.396 5.063 285 HD22 ASN 36 2HD2 ASN 36 0.716 14.661 5.347 286 H GLY 37 H GLY 37 5.357 15.752 9.562 287 HA2 GLY 37 2HA GLY 37 4.432 15.552 11.662 288 HA3 GLY 37 3HA GLY 37 3.071 14.687 10.972 289 H CYS 38 H CYS 38 5.439 12.847 9.802 290 HA CYS 38 HA CYS 38 6.033 11.285 12.230 291 HB2 CYS 38 2HB CYS 38 5.238 9.207 11.206 292 HB3 CYS 38 3HB CYS 38 3.919 10.371 11.190 293 HA PRO 39 HA PRO 39 9.992 10.936 10.072 294 HB2 PRO 39 2HB PRO 39 10.718 8.589 11.725 295 HB3 PRO 39 3HB PRO 39 11.350 10.246 11.804 296 HG2 PRO 39 2HG PRO 39 9.794 9.190 13.765 297 HG3 PRO 39 3HG PRO 39 9.784 10.924 13.371 298 HD2 PRO 39 2HD PRO 39 7.827 8.783 12.521 299 HD3 PRO 39 3HD PRO 39 7.506 10.426 13.125 300 H LYS 40 H LYS 40 7.623 8.496 9.839 301 HA LYS 40 HA LYS 40 9.233 6.765 8.052 302 HB2 LYS 40 2HB LYS 40 6.481 6.302 9.299 303 HB3 LYS 40 3HB LYS 40 7.209 5.230 8.110 304 HG2 LYS 40 2HG LYS 40 7.590 4.183 10.192 305 HG3 LYS 40 3HG LYS 40 9.137 4.905 9.759 306 HD2 LYS 40 2HD LYS 40 8.630 5.193 12.156 307 HD3 LYS 40 3HD LYS 40 8.734 6.753 11.337 308 HE2 LYS 40 2HE LYS 40 6.320 6.989 11.346 309 HE3 LYS 40 3HE LYS 40 6.109 5.328 11.920 310 HZ1 LYS 40 1HZ LYS 40 7.446 7.498 13.459 311 HZ2 LYS 40 2HZ LYS 40 7.156 5.920 13.996 312 HZ3 LYS 40 3HZ LYS 40 5.865 6.962 13.712 313 H THR 41 H THR 41 8.590 6.377 5.938 314 HA THR 41 HA THR 41 7.115 8.288 4.455 315 HB THR 41 HB THR 41 7.911 5.428 3.723 316 HG1 THR 41 HG1 THR 41 9.554 6.893 2.508 317 HG21 THR 41 1HG2 THR 41 7.731 6.141 1.376 318 HG22 THR 41 2HG2 THR 41 7.174 7.734 1.881 319 HG23 THR 41 3HG2 THR 41 6.172 6.315 2.190 320 H GLU 42 H GLU 42 4.927 8.313 3.885 321 HA GLU 42 HA GLU 42 3.178 6.335 5.197 322 HB2 GLU 42 2HB GLU 42 1.287 7.831 4.485 323 HB3 GLU 42 3HB GLU 42 2.454 8.618 5.539 324 HG2 GLU 42 2HG GLU 42 3.378 9.888 3.743 325 HG3 GLU 42 3HG GLU 42 2.558 8.908 2.532 326 H VAL 43 H VAL 43 2.527 4.608 4.142 327 HA VAL 43 HA VAL 43 2.342 4.595 1.183 328 HB VAL 43 HB VAL 43 2.940 2.201 2.995 329 HG11 VAL 43 1HG1 VAL 43 3.438 1.000 0.880 330 HG12 VAL 43 2HG1 VAL 43 2.938 2.418 -0.043 331 HG13 VAL 43 3HG1 VAL 43 1.759 1.545 0.938 332 HG21 VAL 43 1HG2 VAL 43 5.240 2.289 2.065 333 HG22 VAL 43 2HG2 VAL 43 4.851 3.744 2.981 334 HG23 VAL 43 3HG2 VAL 43 4.836 3.779 1.218 335 H VAL 44 H VAL 44 0.238 4.955 0.812 336 HA VAL 44 HA VAL 44 -1.774 3.283 2.198 337 HB VAL 44 HB VAL 44 -3.481 5.081 1.747 338 HG11 VAL 44 1HG1 VAL 44 -2.858 6.538 3.638 339 HG12 VAL 44 2HG1 VAL 44 -1.198 5.943 3.557 340 HG13 VAL 44 3HG1 VAL 44 -2.509 4.846 3.985 341 HG21 VAL 44 1HG2 VAL 44 -1.122 6.889 1.121 342 HG22 VAL 44 2HG2 VAL 44 -2.807 7.387 1.271 343 HG23 VAL 44 3HG2 VAL 44 -2.318 6.323 -0.047 344 H ILE 45 H ILE 45 -2.498 1.759 0.892 345 HA ILE 45 HA ILE 45 -2.323 2.068 -2.024 346 HB ILE 45 HB ILE 45 -3.021 -0.424 -0.412 347 HG12 ILE 45 2HG1 ILE 45 -0.359 0.356 -1.664 348 HG13 ILE 45 3HG1 ILE 45 -0.696 0.342 0.057 349 HG21 ILE 45 1HG2 ILE 45 -2.334 -0.097 -3.350 350 HG22 ILE 45 2HG2 ILE 45 -3.920 -0.505 -2.687 351 HG23 ILE 45 3HG2 ILE 45 -2.575 -1.637 -2.531 352 HD11 ILE 45 1HD1 ILE 45 -0.646 -2.082 -1.747 353 HD12 ILE 45 2HD1 ILE 45 -0.956 -2.082 -0.008 354 HD13 ILE 45 3HD1 ILE 45 0.614 -1.580 -0.622 355 H TRP 46 H TRP 46 -4.071 2.712 -3.079 356 HA TRP 46 HA TRP 46 -6.792 2.555 -2.039 357 HB2 TRP 46 2HB TRP 46 -5.650 3.630 -4.669 358 HB3 TRP 46 3HB TRP 46 -7.323 3.798 -4.157 359 HD1 TRP 46 HD1 TRP 46 -3.771 4.966 -3.037 360 HE1 TRP 46 HE1 TRP 46 -4.021 7.222 -1.824 361 HE3 TRP 46 HE3 TRP 46 -8.885 5.372 -3.090 362 HZ2 TRP 46 HZ2 TRP 46 -6.090 8.961 -1.033 363 HZ3 TRP 46 HZ3 TRP 46 -9.918 7.378 -2.092 364 HH2 TRP 46 HH2 TRP 46 -8.544 9.133 -1.085 365 H THR 47 H THR 47 -8.025 0.773 -2.457 366 HA THR 47 HA THR 47 -7.225 -1.218 -4.462 367 HB THR 47 HB THR 47 -9.151 -2.542 -3.492 368 HG1 THR 47 HG1 THR 47 -9.311 -0.734 -1.371 369 HG21 THR 47 1HG2 THR 47 -8.105 -2.981 -1.299 370 HG22 THR 47 2HG2 THR 47 -7.169 -1.491 -1.430 371 HG23 THR 47 3HG2 THR 47 -6.874 -2.819 -2.556 372 H LYS 48 H LYS 48 -9.313 -2.266 -5.612 373 HA LYS 48 HA LYS 48 -10.323 -0.303 -7.453 374 HB2 LYS 48 2HB LYS 48 -10.859 -3.294 -7.191 375 HB3 LYS 48 3HB LYS 48 -11.454 -2.300 -8.520 376 HG2 LYS 48 2HG LYS 48 -9.153 -1.782 -9.203 377 HG3 LYS 48 3HG LYS 48 -8.516 -2.724 -7.850 378 HD2 LYS 48 2HD LYS 48 -9.449 -4.787 -8.811 379 HD3 LYS 48 3HD LYS 48 -10.215 -3.870 -10.112 380 HE2 LYS 48 2HE LYS 48 -8.003 -3.220 -10.973 381 HE3 LYS 48 3HE LYS 48 -7.219 -4.090 -9.653 382 HZ1 LYS 48 1HZ LYS 48 -8.168 -6.151 -10.503 383 HZ2 LYS 48 2HZ LYS 48 -7.222 -5.394 -11.679 384 HZ3 LYS 48 3HZ LYS 48 -8.905 -5.314 -11.774 385 H MET 49 H MET 49 -11.508 -1.594 -4.491 386 HA MET 49 HA MET 49 -14.228 -0.537 -4.896 387 HB2 MET 49 2HB MET 49 -13.022 -1.768 -2.374 388 HB3 MET 49 3HB MET 49 -14.720 -1.416 -2.657 389 HG2 MET 49 2HG MET 49 -14.478 -3.766 -2.917 390 HG3 MET 49 3HG MET 49 -14.645 -3.115 -4.549 391 HE1 MET 49 1HE MET 49 -10.605 -4.486 -2.743 392 HE2 MET 49 2HE MET 49 -12.146 -4.780 -1.935 393 HE3 MET 49 3HE MET 49 -11.537 -3.133 -2.113 394 H LYS 50 H LYS 50 -11.306 0.743 -4.330 395 HA LYS 50 HA LYS 50 -10.413 2.639 -3.601 396 HB2 LYS 50 2HB LYS 50 -13.308 3.545 -3.457 397 HB3 LYS 50 3HB LYS 50 -11.963 4.630 -3.124 398 HG2 LYS 50 2HG LYS 50 -12.488 3.188 -5.739 399 HG3 LYS 50 3HG LYS 50 -12.723 4.908 -5.420 400 HD2 LYS 50 2HD LYS 50 -10.268 5.141 -4.994 401 HD3 LYS 50 3HD LYS 50 -10.062 3.428 -5.381 402 HE2 LYS 50 2HE LYS 50 -9.461 4.843 -7.290 403 HE3 LYS 50 3HE LYS 50 -10.863 3.844 -7.671 404 HZ1 LYS 50 1HZ LYS 50 -12.289 5.745 -7.277 405 HZ2 LYS 50 2HZ LYS 50 -11.133 6.123 -8.443 406 HZ3 LYS 50 3HZ LYS 50 -10.962 6.706 -6.865 407 H LYS 51 H LYS 51 -11.195 0.474 -1.674 408 HA LYS 51 HA LYS 51 -11.286 1.732 0.899 409 HB2 LYS 51 2HB LYS 51 -11.874 -0.670 0.563 410 HB3 LYS 51 3HB LYS 51 -10.218 -1.016 0.082 411 HG2 LYS 51 2HG LYS 51 -9.501 -0.278 2.412 412 HG3 LYS 51 3HG LYS 51 -11.214 -0.215 2.837 413 HD2 LYS 51 2HD LYS 51 -11.383 -2.655 2.156 414 HD3 LYS 51 3HD LYS 51 -9.628 -2.653 1.957 415 HE2 LYS 51 2HE LYS 51 -10.272 -3.597 4.131 416 HE3 LYS 51 3HE LYS 51 -9.350 -2.113 4.345 417 HZ1 LYS 51 1HZ LYS 51 -11.234 -2.200 5.829 418 HZ2 LYS 51 2HZ LYS 51 -12.300 -2.357 4.535 419 HZ3 LYS 51 3HZ LYS 51 -11.421 -0.929 4.728 420 H VAL 52 H VAL 52 -9.665 2.778 1.877 421 HA VAL 52 HA VAL 52 -6.988 2.835 0.655 422 HB VAL 52 HB VAL 52 -7.987 4.702 2.854 423 HG11 VAL 52 1HG1 VAL 52 -5.542 4.618 2.511 424 HG12 VAL 52 2HG1 VAL 52 -6.189 6.191 2.045 425 HG13 VAL 52 3HG1 VAL 52 -5.758 5.012 0.803 426 HG21 VAL 52 1HG2 VAL 52 -8.238 5.135 -0.141 427 HG22 VAL 52 2HG2 VAL 52 -8.498 6.379 1.083 428 HG23 VAL 52 3HG2 VAL 52 -9.562 4.977 1.014 429 H ILE 53 H ILE 53 -5.653 1.377 1.541 430 HA ILE 53 HA ILE 53 -5.878 0.677 4.404 431 HB ILE 53 HB ILE 53 -4.671 -1.392 3.940 432 HG12 ILE 53 2HG1 ILE 53 -4.529 -0.604 0.984 433 HG13 ILE 53 3HG1 ILE 53 -3.168 -0.531 2.091 434 HG21 ILE 53 1HG2 ILE 53 -6.333 -2.542 2.516 435 HG22 ILE 53 2HG2 ILE 53 -6.891 -0.984 1.902 436 HG23 ILE 53 3HG2 ILE 53 -7.107 -1.391 3.603 437 HD11 ILE 53 1HD1 ILE 53 -3.143 -2.493 0.636 438 HD12 ILE 53 2HD1 ILE 53 -4.647 -3.054 1.356 439 HD13 ILE 53 3HD1 ILE 53 -3.187 -2.918 2.340 440 H CYS 54 H CYS 54 -4.164 1.100 5.765 441 HA CYS 54 HA CYS 54 -1.814 2.533 4.653 442 HB2 CYS 54 2HB CYS 54 -3.120 3.872 6.230 443 HB3 CYS 54 3HB CYS 54 -3.058 2.588 7.430 444 H VAL 55 H VAL 55 0.011 1.399 4.631 445 HA VAL 55 HA VAL 55 0.391 -0.907 6.443 446 HB VAL 55 HB VAL 55 1.204 -2.300 4.594 447 HG11 VAL 55 1HG1 VAL 55 -1.520 -1.100 3.969 448 HG12 VAL 55 2HG1 VAL 55 -1.189 -2.454 5.050 449 HG13 VAL 55 3HG1 VAL 55 -0.919 -2.620 3.319 450 HG21 VAL 55 1HG2 VAL 55 2.178 -0.554 3.145 451 HG22 VAL 55 2HG2 VAL 55 0.563 0.015 2.718 452 HG23 VAL 55 3HG2 VAL 55 1.089 -1.596 2.222 453 H ASN 56 H ASN 56 2.665 -1.625 6.500 454 HA ASN 56 HA ASN 56 4.485 0.579 6.791 455 HB2 ASN 56 2HB ASN 56 5.005 -2.423 7.032 456 HB3 ASN 56 3HB ASN 56 6.128 -1.159 7.526 457 HD21 ASN 56 1HD2 ASN 56 4.907 -3.268 9.134 458 HD22 ASN 56 2HD2 ASN 56 4.061 -2.467 10.409 459 HA PRO 57 HA PRO 57 6.260 0.511 2.617 460 HB2 PRO 57 2HB PRO 57 8.816 1.473 3.197 461 HB3 PRO 57 3HB PRO 57 7.377 2.502 3.066 462 HG2 PRO 57 2HG PRO 57 8.644 1.376 5.545 463 HG3 PRO 57 3HG PRO 57 8.054 3.027 5.240 464 HD2 PRO 57 2HD PRO 57 6.565 1.304 6.646 465 HD3 PRO 57 3HD PRO 57 5.793 2.409 5.482 466 H ARG 58 H ARG 58 7.701 -1.188 5.297 467 HA ARG 58 HA ARG 58 9.230 -2.958 3.483 468 HB2 ARG 58 2HB ARG 58 9.570 -2.577 6.495 469 HB3 ARG 58 3HB ARG 58 10.570 -3.581 5.451 470 HG2 ARG 58 2HG ARG 58 11.134 -1.396 4.183 471 HG3 ARG 58 3HG ARG 58 10.431 -0.564 5.571 472 HD2 ARG 58 2HD ARG 58 12.821 -2.432 5.575 473 HD3 ARG 58 3HD ARG 58 12.831 -0.689 5.852 474 HE ARG 58 HE ARG 58 11.247 -1.515 7.841 475 HH11 ARG 58 1HH1 ARG 58 14.368 -2.782 6.788 476 HH12 ARG 58 2HH1 ARG 58 14.814 -3.321 8.372 477 HH21 ARG 58 1HH2 ARG 58 11.871 -2.213 9.922 478 HH22 ARG 58 2HH2 ARG 58 13.401 -2.997 10.142 479 H ALA 59 H ALA 59 6.303 -3.058 4.011 480 HA ALA 59 HA ALA 59 5.729 -5.522 5.334 481 HB1 ALA 59 1HB ALA 59 3.629 -5.499 3.951 482 HB2 ALA 59 2HB ALA 59 4.265 -4.096 3.088 483 HB3 ALA 59 3HB ALA 59 3.920 -3.983 4.806 484 H LYS 60 H LYS 60 6.109 -7.615 4.661 485 HA LYS 60 HA LYS 60 8.090 -7.995 2.660 486 HB2 LYS 60 2HB LYS 60 7.917 -9.255 4.847 487 HB3 LYS 60 3HB LYS 60 6.575 -10.168 4.163 488 HG2 LYS 60 2HG LYS 60 8.073 -11.072 2.417 489 HG3 LYS 60 3HG LYS 60 9.413 -10.120 3.064 490 HD2 LYS 60 2HD LYS 60 9.228 -11.384 5.215 491 HD3 LYS 60 3HD LYS 60 7.942 -12.362 4.499 492 HE2 LYS 60 2HE LYS 60 10.022 -13.599 4.389 493 HE3 LYS 60 3HE LYS 60 9.564 -13.125 2.751 494 HZ1 LYS 60 1HZ LYS 60 11.588 -11.759 4.452 495 HZ2 LYS 60 2HZ LYS 60 11.141 -11.287 2.889 496 HZ3 LYS 60 3HZ LYS 60 11.914 -12.765 3.132 497 H TRP 61 H TRP 61 4.603 -8.559 2.649 498 HA TRP 61 HA TRP 61 4.539 -10.101 0.212 499 HB2 TRP 61 2HB TRP 61 2.037 -9.590 0.259 500 HB3 TRP 61 3HB TRP 61 2.671 -10.416 1.672 501 HD1 TRP 61 HD1 TRP 61 2.363 -9.250 4.007 502 HE1 TRP 61 HE1 TRP 61 1.203 -7.101 4.795 503 HE3 TRP 61 HE3 TRP 61 1.499 -7.046 -0.541 504 HZ2 TRP 61 HZ2 TRP 61 0.078 -4.797 3.670 505 HZ3 TRP 61 HZ3 TRP 61 0.375 -4.861 -0.594 506 HH2 TRP 61 HH2 TRP 61 -0.323 -3.757 1.464 507 H LEU 62 H LEU 62 4.695 -6.716 0.945 508 HA LEU 62 HA LEU 62 3.687 -5.608 -1.468 509 HB2 LEU 62 2HB LEU 62 3.962 -4.352 0.648 510 HB3 LEU 62 3HB LEU 62 5.704 -4.477 0.511 511 HG LEU 62 HG LEU 62 5.511 -3.087 -1.641 512 HD11 LEU 62 1HD1 LEU 62 3.158 -3.454 -2.144 513 HD12 LEU 62 2HD1 LEU 62 3.503 -1.739 -1.967 514 HD13 LEU 62 3HD1 LEU 62 2.683 -2.609 -0.671 515 HD21 LEU 62 1HD2 LEU 62 6.295 -2.072 0.445 516 HD22 LEU 62 2HD2 LEU 62 4.631 -1.744 0.938 517 HD23 LEU 62 3HD2 LEU 62 5.311 -0.934 -0.476 518 H GLN 63 H GLN 63 6.702 -7.120 -0.622 519 HA GLN 63 HA GLN 63 8.445 -6.235 -2.609 520 HB2 GLN 63 2HB GLN 63 9.157 -7.643 -0.717 521 HB3 GLN 63 3HB GLN 63 8.223 -8.996 -1.349 522 HG2 GLN 63 2HG GLN 63 9.705 -9.037 -3.359 523 HG3 GLN 63 3HG GLN 63 10.663 -7.737 -2.654 524 HE21 GLN 63 1HE2 GLN 63 9.758 -11.111 -2.387 525 HE22 GLN 63 2HE2 GLN 63 11.055 -11.583 -1.345 526 H ARG 64 H ARG 64 5.762 -8.533 -2.806 527 HA ARG 64 HA ARG 64 6.305 -9.650 -5.363 528 HB2 ARG 64 2HB ARG 64 4.690 -10.651 -3.784 529 HB3 ARG 64 3HB ARG 64 3.642 -9.245 -3.923 530 HG2 ARG 64 2HG ARG 64 3.261 -9.785 -6.325 531 HG3 ARG 64 3HG ARG 64 4.289 -11.208 -6.160 532 HD2 ARG 64 2HD ARG 64 1.671 -10.714 -4.706 533 HD3 ARG 64 3HD ARG 64 1.916 -11.821 -6.061 534 HE ARG 64 HE ARG 64 3.518 -13.032 -4.542 535 HH11 ARG 64 1HH1 ARG 64 0.827 -11.218 -3.188 536 HH12 ARG 64 2HH1 ARG 64 0.746 -12.175 -1.749 537 HH21 ARG 64 1HH2 ARG 64 3.435 -14.248 -2.664 538 HH22 ARG 64 2HH2 ARG 64 2.244 -13.910 -1.448 539 H LEU 65 H LEU 65 4.654 -6.717 -4.313 540 HA LEU 65 HA LEU 65 3.612 -5.973 -6.899 541 HB2 LEU 65 2HB LEU 65 3.869 -4.545 -4.238 542 HB3 LEU 65 3HB LEU 65 3.384 -3.656 -5.663 543 HG LEU 65 HG LEU 65 1.446 -4.249 -4.279 544 HD11 LEU 65 1HD1 LEU 65 -0.035 -5.122 -5.977 545 HD12 LEU 65 2HD1 LEU 65 1.317 -5.763 -6.901 546 HD13 LEU 65 3HD1 LEU 65 1.124 -4.022 -6.717 547 HD21 LEU 65 1HD2 LEU 65 2.106 -7.177 -4.762 548 HD22 LEU 65 2HD2 LEU 65 0.648 -6.559 -3.988 549 HD23 LEU 65 3HD2 LEU 65 2.215 -6.319 -3.221 550 H LEU 66 H LEU 66 6.458 -5.210 -4.962 551 HA LEU 66 HA LEU 66 7.643 -3.277 -6.669 552 HB2 LEU 66 2HB LEU 66 8.997 -5.120 -4.659 553 HB3 LEU 66 3HB LEU 66 9.722 -3.689 -5.371 554 HG LEU 66 HG LEU 66 7.385 -3.757 -3.420 555 HD11 LEU 66 1HD1 LEU 66 9.548 -4.127 -2.346 556 HD12 LEU 66 2HD1 LEU 66 8.869 -2.574 -1.877 557 HD13 LEU 66 3HD1 LEU 66 10.178 -2.642 -3.059 558 HD21 LEU 66 1HD2 LEU 66 7.427 -1.286 -3.448 559 HD22 LEU 66 2HD2 LEU 66 6.955 -1.961 -5.003 560 HD23 LEU 66 3HD2 LEU 66 8.587 -1.324 -4.779 561 H ARG 67 H ARG 67 7.700 -6.770 -6.548 562 HA ARG 67 HA ARG 67 9.784 -7.244 -8.454 563 HB2 ARG 67 2HB ARG 67 9.276 -8.914 -6.731 564 HB3 ARG 67 3HB ARG 67 7.607 -9.030 -7.269 565 HG2 ARG 67 2HG ARG 67 8.930 -10.998 -7.928 566 HG3 ARG 67 3HG ARG 67 8.308 -10.135 -9.336 567 HD2 ARG 67 2HD ARG 67 10.648 -10.933 -9.606 568 HD3 ARG 67 3HD ARG 67 10.499 -9.182 -9.774 569 HE ARG 67 HE ARG 67 11.185 -10.106 -7.112 570 HH11 ARG 67 1HH1 ARG 67 12.504 -9.058 -10.205 571 HH12 ARG 67 2HH1 ARG 67 14.041 -8.625 -9.532 572 HH21 ARG 67 1HH2 ARG 67 13.195 -9.529 -6.247 573 HH22 ARG 67 2HH2 ARG 67 14.430 -8.893 -7.288 574 H HIS 68 H HIS 68 6.267 -6.969 -8.552 575 HA HIS 68 HA HIS 68 5.857 -7.958 -11.194 576 HB2 HIS 68 2HB HIS 68 4.086 -7.891 -9.426 577 HB3 HIS 68 3HB HIS 68 4.050 -6.137 -9.538 578 HD1 HIS 68 HD1 HIS 68 2.500 -5.157 -11.256 579 HD2 HIS 68 HD2 HIS 68 3.141 -9.213 -11.882 580 HE1 HIS 68 HE1 HIS 68 0.883 -5.830 -13.045 581 HE2 HIS 68 HE2 HIS 68 1.444 -8.221 -13.548 582 H VAL 69 H VAL 69 6.468 -4.748 -9.853 583 HA VAL 69 HA VAL 69 6.162 -3.424 -12.458 584 HB VAL 69 HB VAL 69 6.487 -1.295 -11.333 585 HG11 VAL 69 1HG1 VAL 69 4.603 -3.044 -9.704 586 HG12 VAL 69 2HG1 VAL 69 4.230 -2.260 -11.241 587 HG13 VAL 69 3HG1 VAL 69 4.553 -1.280 -9.811 588 HG21 VAL 69 1HG2 VAL 69 8.231 -1.891 -9.714 589 HG22 VAL 69 2HG2 VAL 69 7.078 -2.840 -8.783 590 HG23 VAL 69 3HG2 VAL 69 6.886 -1.092 -8.898 591 H GLN 70 H GLN 70 8.607 -5.037 -10.799 592 HA GLN 70 HA GLN 70 10.853 -3.551 -11.943 593 HB2 GLN 70 2HB GLN 70 11.051 -4.593 -9.681 594 HB3 GLN 70 3HB GLN 70 10.785 -6.180 -10.384 595 HG2 GLN 70 2HG GLN 70 13.155 -5.841 -9.893 596 HG3 GLN 70 3HG GLN 70 12.910 -5.985 -11.632 597 HE21 GLN 70 1HE2 GLN 70 13.711 -3.794 -9.025 598 HE22 GLN 70 2HE2 GLN 70 14.338 -2.526 -10.018 599 H SER 71 H SER 71 11.648 -3.995 -13.947 600 HA SER 71 HA SER 71 10.788 -6.477 -15.324 601 HB2 SER 71 2HB SER 71 9.992 -4.416 -16.417 602 HB3 SER 71 3HB SER 71 11.643 -3.802 -16.512 603 HG SER 71 HG SER 71 10.563 -6.084 -17.815 604 H LYS 72 H LYS 72 12.271 -7.688 -16.429 605 HA LYS 72 HA LYS 72 15.114 -6.995 -16.517 606 HB2 LYS 72 2HB LYS 72 15.019 -8.244 -14.428 607 HB3 LYS 72 3HB LYS 72 13.982 -9.472 -15.138 608 HG2 LYS 72 2HG LYS 72 16.201 -10.398 -14.879 609 HG3 LYS 72 3HG LYS 72 15.879 -10.187 -16.599 610 HD2 LYS 72 2HD LYS 72 18.164 -9.524 -16.132 611 HD3 LYS 72 3HD LYS 72 17.235 -8.085 -16.556 612 HE2 LYS 72 2HE LYS 72 18.770 -7.702 -14.643 613 HE3 LYS 72 3HE LYS 72 17.080 -7.464 -14.188 614 HZ1 LYS 72 1HZ LYS 72 18.293 -8.727 -12.527 615 HZ2 LYS 72 2HZ LYS 72 18.689 -9.904 -13.673 616 HZ3 LYS 72 3HZ LYS 72 17.082 -9.678 -13.219 617 H SER 73 H SER 73 15.534 -7.228 -18.635 618 HA SER 73 HA SER 73 14.233 -8.981 -20.456 619 HB2 SER 73 2HB SER 73 16.210 -8.444 -21.944 620 HB3 SER 73 3HB SER 73 15.418 -7.008 -21.294 621 HG SER 73 HG SER 73 17.966 -7.845 -20.992 622 H LEU 74 H LEU 74 14.690 -11.110 -20.945 623 HA LEU 74 HA LEU 74 16.057 -12.755 -19.094 624 HB2 LEU 74 2HB LEU 74 15.159 -13.448 -21.922 625 HB3 LEU 74 3HB LEU 74 15.528 -14.604 -20.654 626 HG LEU 74 HG LEU 74 13.197 -12.641 -20.606 627 HD11 LEU 74 1HD1 LEU 74 13.184 -15.629 -21.133 628 HD12 LEU 74 2HD1 LEU 74 12.865 -14.352 -22.312 629 HD13 LEU 74 3HD1 LEU 74 11.759 -14.598 -20.965 630 HD21 LEU 74 1HD2 LEU 74 13.906 -13.109 -18.334 631 HD22 LEU 74 2HD2 LEU 74 13.924 -14.846 -18.646 632 HD23 LEU 74 3HD2 LEU 74 12.396 -13.961 -18.654 633 H SER 75 H SER 75 18.212 -12.404 -18.853 634 HA SER 75 HA SER 75 20.002 -12.359 -21.239 635 HB2 SER 75 2HB SER 75 20.389 -10.979 -18.544 636 HB3 SER 75 3HB SER 75 21.468 -10.865 -19.938 637 HG SER 75 HG SER 75 18.845 -9.860 -19.642 638 H SER 76 H SER 76 22.384 -12.827 -20.451 639 HA SER 76 HA SER 76 22.527 -15.518 -19.493 640 HB2 SER 76 2HB SER 76 24.129 -14.616 -21.170 641 HB3 SER 76 3HB SER 76 24.734 -13.450 -19.989 642 HG SER 76 HG SER 76 25.129 -16.236 -20.149 643 H THR 77 H THR 77 21.743 -15.656 -17.398 644 HA THR 77 HA THR 77 22.817 -13.888 -15.293 645 HB THR 77 HB THR 77 20.432 -13.795 -15.457 646 HG1 THR 77 HG1 THR 77 21.553 -14.126 -13.284 647 HG21 THR 77 1HG2 THR 77 18.920 -15.711 -15.183 648 HG22 THR 77 2HG2 THR 77 20.296 -16.810 -15.095 649 HG23 THR 77 3HG2 THR 77 19.961 -15.940 -16.591 650 HA PRO 78 HA PRO 78 25.414 -17.556 -14.251 651 HB2 PRO 78 2HB PRO 78 26.399 -15.658 -12.123 652 HB3 PRO 78 3HB PRO 78 27.326 -16.611 -13.305 653 HG2 PRO 78 2HG PRO 78 27.068 -13.987 -13.622 654 HG3 PRO 78 3HG PRO 78 26.974 -15.078 -15.028 655 HD2 PRO 78 2HD PRO 78 24.719 -13.740 -13.525 656 HD3 PRO 78 3HD PRO 78 24.958 -13.930 -15.281 657 H GLN 79 H GLN 79 24.727 -19.185 -13.006 658 HA GLN 79 HA GLN 79 23.146 -18.682 -10.549 659 HB2 GLN 79 2HB GLN 79 23.395 -21.227 -12.215 660 HB3 GLN 79 3HB GLN 79 22.327 -20.995 -10.834 661 HG2 GLN 79 2HG GLN 79 21.097 -19.246 -12.106 662 HG3 GLN 79 3HG GLN 79 22.129 -19.556 -13.501 663 HE21 GLN 79 1HE2 GLN 79 19.258 -19.812 -13.359 664 HE22 GLN 79 2HE2 GLN 79 18.889 -21.457 -13.725 665 H ALA 80 H ALA 80 23.763 -19.563 -8.614 666 HA ALA 80 HA ALA 80 26.385 -20.641 -8.156 667 HB1 ALA 80 1HB ALA 80 25.216 -19.307 -6.437 668 HB2 ALA 80 2HB ALA 80 25.595 -20.910 -5.815 669 HB3 ALA 80 3HB ALA 80 23.947 -20.530 -6.323 670 HA PRO 81 HA PRO 81 25.703 -25.003 -9.068 671 HB2 PRO 81 2HB PRO 81 27.037 -26.214 -6.893 672 HB3 PRO 81 3HB PRO 81 27.829 -25.620 -8.364 673 HG2 PRO 81 2HG PRO 81 27.528 -24.244 -5.716 674 HG3 PRO 81 3HG PRO 81 28.951 -24.330 -6.781 675 HD2 PRO 81 2HD PRO 81 27.465 -22.118 -6.748 676 HD3 PRO 81 3HD PRO 81 28.074 -22.748 -8.298 677 H VAL 82 H VAL 82 24.089 -26.470 -8.681 678 HA VAL 82 HA VAL 82 22.090 -25.843 -6.766 679 HB VAL 82 HB VAL 82 20.842 -27.897 -7.461 680 HG11 VAL 82 1HG1 VAL 82 20.473 -25.779 -8.613 681 HG12 VAL 82 2HG1 VAL 82 20.308 -27.127 -9.738 682 HG13 VAL 82 3HG1 VAL 82 21.770 -26.142 -9.753 683 HG21 VAL 82 1HG2 VAL 82 23.025 -28.420 -9.514 684 HG22 VAL 82 2HG2 VAL 82 21.532 -29.320 -9.293 685 HG23 VAL 82 3HG2 VAL 82 22.784 -29.374 -8.053 686 H SER 83 H SER 83 22.892 -25.858 -4.784 687 HA SER 83 HA SER 83 24.150 -28.018 -3.439 688 HB2 SER 83 2HB SER 83 23.467 -26.675 -1.367 689 HB3 SER 83 3HB SER 83 24.422 -25.792 -2.550 690 HG SER 83 HG SER 83 22.111 -25.080 -1.593 691 H LYS 84 H LYS 84 23.255 -29.548 -2.055 692 HA LYS 84 HA LYS 84 20.340 -29.988 -2.145 693 HB2 LYS 84 2HB LYS 84 20.755 -32.373 -2.822 694 HB3 LYS 84 3HB LYS 84 21.195 -31.213 -4.070 695 HG2 LYS 84 2HG LYS 84 23.561 -31.472 -3.582 696 HG3 LYS 84 3HG LYS 84 23.219 -32.487 -2.184 697 HD2 LYS 84 2HD LYS 84 22.628 -33.194 -5.084 698 HD3 LYS 84 3HD LYS 84 23.961 -33.830 -4.118 699 HE2 LYS 84 2HE LYS 84 22.346 -34.900 -2.584 700 HE3 LYS 84 3HE LYS 84 21.009 -34.244 -3.534 701 HZ1 LYS 84 1HZ LYS 84 21.444 -36.528 -4.124 702 HZ2 LYS 84 2HZ LYS 84 23.046 -36.174 -4.496 703 HZ3 LYS 84 3HZ LYS 84 21.799 -35.527 -5.437 704 H ARG 85 H ARG 85 19.540 -31.146 -0.430 705 HA ARG 85 HA ARG 85 21.154 -31.554 1.919 706 HB2 ARG 85 2HB ARG 85 18.764 -30.893 2.031 707 HB3 ARG 85 3HB ARG 85 18.298 -32.429 1.313 708 HG2 ARG 85 2HG ARG 85 19.056 -33.643 3.269 709 HG3 ARG 85 3HG ARG 85 19.770 -32.185 3.959 710 HD2 ARG 85 2HD ARG 85 16.808 -32.658 3.488 711 HD3 ARG 85 3HD ARG 85 17.632 -32.734 5.049 712 HE ARG 85 HE ARG 85 18.192 -30.298 4.650 713 HH11 ARG 85 1HH1 ARG 85 15.255 -31.688 3.274 714 HH12 ARG 85 2HH1 ARG 85 14.430 -30.166 3.220 715 HH21 ARG 85 1HH2 ARG 85 17.096 -28.324 4.549 716 HH22 ARG 85 2HH2 ARG 85 15.472 -28.261 3.942 717 H ARG 86 H ARG 86 22.653 -33.092 1.768 718 HA ARG 86 HA ARG 86 22.816 -35.144 -0.101 719 HB2 ARG 86 2HB ARG 86 24.753 -34.152 1.161 720 HB3 ARG 86 3HB ARG 86 24.221 -35.006 2.603 721 HG2 ARG 86 2HG ARG 86 24.569 -37.177 1.336 722 HG3 ARG 86 3HG ARG 86 25.292 -36.229 0.034 723 HD2 ARG 86 2HD ARG 86 27.069 -37.127 1.424 724 HD3 ARG 86 3HD ARG 86 26.996 -35.379 1.666 725 HE ARG 86 HE ARG 86 25.655 -37.209 3.568 726 HH11 ARG 86 1HH1 ARG 86 28.127 -34.738 3.021 727 HH12 ARG 86 2HH1 ARG 86 28.432 -34.517 4.718 728 HH21 ARG 86 1HH2 ARG 86 26.056 -36.887 5.765 729 HH22 ARG 86 2HH2 ARG 86 27.255 -35.735 6.273 730 H ALA 87 H ALA 87 21.199 -36.615 -0.213 731 HA ALA 87 HA ALA 87 20.007 -37.909 2.076 732 HB1 ALA 87 1HB ALA 87 18.723 -39.210 0.419 733 HB2 ALA 87 2HB ALA 87 19.727 -38.558 -0.879 734 HB3 ALA 87 3HB ALA 87 18.680 -37.483 0.044 735 H ALA 88 H ALA 88 20.203 -40.063 2.665 736 HA ALA 88 HA ALA 88 22.803 -41.236 2.428 737 HB1 ALA 88 1HB ALA 88 21.911 -42.978 3.940 738 HB2 ALA 88 2HB ALA 88 20.284 -42.317 3.747 739 HB3 ALA 88 3HB ALA 88 21.539 -41.353 4.528 Start of MODEL 20 1 H1 ILE 1 1H ILE 1 -22.952 23.705 9.898 2 H2 ILE 1 2H ILE 1 -23.485 22.474 8.872 3 H3 ILE 1 3H ILE 1 -23.146 24.011 8.251 4 HA ILE 1 HA ILE 1 -21.180 22.185 9.484 5 HB ILE 1 HB ILE 1 -21.593 22.905 6.535 6 HG12 ILE 1 2HG1 ILE 1 -21.989 20.242 7.983 7 HG13 ILE 1 3HG1 ILE 1 -23.270 21.271 7.358 8 HG21 ILE 1 1HG2 ILE 1 -19.187 22.649 7.061 9 HG22 ILE 1 2HG2 ILE 1 -19.751 21.330 6.036 10 HG23 ILE 1 3HG2 ILE 1 -19.502 21.059 7.761 11 HD11 ILE 1 1HD1 ILE 1 -22.921 19.378 5.919 12 HD12 ILE 1 2HD1 ILE 1 -21.216 19.777 5.715 13 HD13 ILE 1 3HD1 ILE 1 -22.462 20.851 5.067 14 H LEU 2 H LEU 2 -19.181 23.105 9.881 15 HA LEU 2 HA LEU 2 -18.839 25.996 9.421 16 HB2 LEU 2 2HB LEU 2 -16.864 25.699 11.034 17 HB3 LEU 2 3HB LEU 2 -18.474 25.499 11.690 18 HG LEU 2 HG LEU 2 -18.128 22.965 11.540 19 HD11 LEU 2 1HD1 LEU 2 -16.267 22.846 9.968 20 HD12 LEU 2 2HD1 LEU 2 -15.841 22.091 11.501 21 HD13 LEU 2 3HD1 LEU 2 -15.222 23.697 11.105 22 HD21 LEU 2 1HD2 LEU 2 -18.006 24.181 13.645 23 HD22 LEU 2 2HD2 LEU 2 -16.293 24.507 13.378 24 HD23 LEU 2 3HD2 LEU 2 -16.848 22.850 13.615 25 H GLU 3 H GLU 3 -16.746 26.780 8.700 26 HA GLU 3 HA GLU 3 -15.621 25.321 6.513 27 HB2 GLU 3 2HB GLU 3 -14.083 27.276 6.245 28 HB3 GLU 3 3HB GLU 3 -15.779 27.727 6.263 29 HG2 GLU 3 2HG GLU 3 -15.566 28.585 8.548 30 HG3 GLU 3 3HG GLU 3 -13.902 28.023 8.631 31 H ALA 4 H ALA 4 -14.891 23.439 7.444 32 HA ALA 4 HA ALA 4 -13.093 23.127 9.596 33 HB1 ALA 4 1HB ALA 4 -12.714 20.857 8.689 34 HB2 ALA 4 2HB ALA 4 -13.492 21.319 7.173 35 HB3 ALA 4 3HB ALA 4 -14.431 21.264 8.665 36 H HIS 5 H HIS 5 -11.026 23.759 9.752 37 HA HIS 5 HA HIS 5 -9.526 24.974 7.711 38 HB2 HIS 5 2HB HIS 5 -8.660 23.857 10.415 39 HB3 HIS 5 3HB HIS 5 -7.580 24.769 9.358 40 HD1 HIS 5 HD1 HIS 5 -9.697 25.314 12.155 41 HD2 HIS 5 HD2 HIS 5 -8.879 27.428 8.668 42 HE1 HIS 5 HE1 HIS 5 -10.452 27.670 12.592 43 HE2 HIS 5 HE2 HIS 5 -9.979 28.900 10.456 44 H TYR 6 H TYR 6 -9.722 21.642 8.714 45 HA TYR 6 HA TYR 6 -9.195 19.713 7.718 46 HB2 TYR 6 2HB TYR 6 -10.284 21.005 5.778 47 HB3 TYR 6 3HB TYR 6 -8.665 21.315 5.170 48 HD1 TYR 6 HD1 TYR 6 -7.693 19.753 3.673 49 HD2 TYR 6 HD2 TYR 6 -10.936 18.490 6.161 50 HE1 TYR 6 HE1 TYR 6 -7.763 17.594 2.490 51 HE2 TYR 6 HE2 TYR 6 -10.997 16.341 4.989 52 HH TYR 6 HH TYR 6 -10.333 15.393 2.863 53 H THR 7 H THR 7 -7.336 20.214 9.275 54 HA THR 7 HA THR 7 -4.737 20.638 8.147 55 HB THR 7 HB THR 7 -5.138 21.496 10.379 56 HG1 THR 7 HG1 THR 7 -3.009 20.827 9.830 57 HG21 THR 7 1HG2 THR 7 -5.503 18.613 11.292 58 HG22 THR 7 2HG2 THR 7 -6.693 19.912 11.396 59 HG23 THR 7 3HG2 THR 7 -5.236 19.979 12.377 60 H ASN 8 H ASN 8 -4.592 19.082 6.603 61 HA ASN 8 HA ASN 8 -4.079 16.280 7.450 62 HB2 ASN 8 2HB ASN 8 -5.345 17.390 4.906 63 HB3 ASN 8 3HB ASN 8 -4.730 15.745 5.010 64 HD21 ASN 8 1HD2 ASN 8 -5.927 14.198 6.086 65 HD22 ASN 8 2HD2 ASN 8 -7.499 14.491 6.742 66 H LEU 9 H LEU 9 -2.379 18.874 7.002 67 HA LEU 9 HA LEU 9 -0.337 18.140 5.175 68 HB2 LEU 9 2HB LEU 9 1.117 19.697 6.560 69 HB3 LEU 9 3HB LEU 9 -0.369 20.386 5.942 70 HG LEU 9 HG LEU 9 -1.352 19.909 8.335 71 HD11 LEU 9 1HD1 LEU 9 0.456 18.520 9.223 72 HD12 LEU 9 2HD1 LEU 9 0.234 19.976 10.186 73 HD13 LEU 9 3HD1 LEU 9 1.591 19.862 9.063 74 HD21 LEU 9 1HD2 LEU 9 0.712 22.093 7.953 75 HD22 LEU 9 2HD2 LEU 9 -0.587 22.083 9.151 76 HD23 LEU 9 3HD2 LEU 9 -0.972 22.148 7.434 77 H LYS 10 H LYS 10 -1.225 16.907 8.203 78 HA LYS 10 HA LYS 10 1.209 15.359 8.603 79 HB2 LYS 10 2HB LYS 10 0.006 14.390 10.580 80 HB3 LYS 10 3HB LYS 10 0.177 16.134 10.656 81 HG2 LYS 10 2HG LYS 10 -2.191 16.408 9.999 82 HG3 LYS 10 3HG LYS 10 -2.364 14.663 9.865 83 HD2 LYS 10 2HD LYS 10 -1.589 16.036 12.466 84 HD3 LYS 10 3HD LYS 10 -3.267 15.779 11.994 85 HE2 LYS 10 2HE LYS 10 -2.639 14.019 13.497 86 HE3 LYS 10 3HE LYS 10 -2.805 13.312 11.894 87 HZ1 LYS 10 1HZ LYS 10 -0.423 13.273 11.680 88 HZ2 LYS 10 2HZ LYS 10 -0.840 12.520 13.132 89 HZ3 LYS 10 3HZ LYS 10 -0.222 14.091 13.138 90 H CYS 11 H CYS 11 1.498 13.369 7.806 91 HA CYS 11 HA CYS 11 -0.055 12.310 5.748 92 HB2 CYS 11 2HB CYS 11 1.898 10.771 7.481 93 HB3 CYS 11 3HB CYS 11 1.408 10.358 5.844 94 H ARG 12 H ARG 12 -1.885 11.082 5.737 95 HA ARG 12 HA ARG 12 -2.996 10.085 8.262 96 HB2 ARG 12 2HB ARG 12 -4.418 11.465 6.786 97 HB3 ARG 12 3HB ARG 12 -4.214 10.299 5.482 98 HG2 ARG 12 2HG ARG 12 -5.419 8.594 6.815 99 HG3 ARG 12 3HG ARG 12 -5.616 9.763 8.124 100 HD2 ARG 12 2HD ARG 12 -7.653 9.549 6.729 101 HD3 ARG 12 3HD ARG 12 -6.993 11.187 6.706 102 HE ARG 12 HE ARG 12 -5.924 9.779 4.525 103 HH11 ARG 12 1HH1 ARG 12 -9.083 10.970 5.554 104 HH12 ARG 12 2HH1 ARG 12 -9.657 11.187 3.930 105 HH21 ARG 12 1HH2 ARG 12 -6.662 10.130 2.423 106 HH22 ARG 12 2HH2 ARG 12 -8.274 10.708 2.150 107 H CYS 13 H CYS 13 -2.723 8.037 8.828 108 HA CYS 13 HA CYS 13 -2.675 5.841 6.865 109 HB2 CYS 13 2HB CYS 13 -0.287 6.395 7.373 110 HB3 CYS 13 3HB CYS 13 -0.599 6.181 9.090 111 H SER 14 H SER 14 -2.909 3.726 7.996 112 HA SER 14 HA SER 14 -4.591 3.895 10.430 113 HB2 SER 14 2HB SER 14 -5.621 3.006 8.250 114 HB3 SER 14 3HB SER 14 -4.532 1.620 8.394 115 HG SER 14 HG SER 14 -5.655 0.893 10.066 116 H GLY 15 H GLY 15 -1.533 3.563 9.826 117 HA2 GLY 15 2HA GLY 15 0.261 2.608 10.849 118 HA3 GLY 15 3HA GLY 15 -0.822 1.695 11.891 119 H VAL 16 H VAL 16 -1.822 -0.201 11.023 120 HA VAL 16 HA VAL 16 -0.475 -1.520 8.736 121 HB VAL 16 HB VAL 16 -0.399 -3.660 10.030 122 HG11 VAL 16 1HG1 VAL 16 1.515 -3.156 11.489 123 HG12 VAL 16 2HG1 VAL 16 1.136 -1.432 11.418 124 HG13 VAL 16 3HG1 VAL 16 1.637 -2.289 9.957 125 HG21 VAL 16 1HG2 VAL 16 -2.224 -3.194 11.636 126 HG22 VAL 16 2HG2 VAL 16 -1.210 -2.007 12.458 127 HG23 VAL 16 3HG2 VAL 16 -0.756 -3.713 12.469 128 H ILE 17 H ILE 17 -1.711 -3.438 7.986 129 HA ILE 17 HA ILE 17 -4.564 -3.506 8.792 130 HB ILE 17 HB ILE 17 -5.150 -4.340 6.512 131 HG12 ILE 17 2HG1 ILE 17 -2.305 -3.581 5.701 132 HG13 ILE 17 3HG1 ILE 17 -2.872 -5.230 5.899 133 HG21 ILE 17 1HG2 ILE 17 -3.799 -1.620 6.415 134 HG22 ILE 17 2HG2 ILE 17 -5.427 -1.934 7.019 135 HG23 ILE 17 3HG2 ILE 17 -5.055 -2.196 5.317 136 HD11 ILE 17 1HD1 ILE 17 -3.769 -3.245 3.812 137 HD12 ILE 17 2HD1 ILE 17 -4.489 -4.839 4.057 138 HD13 ILE 17 3HD1 ILE 17 -2.798 -4.699 3.583 139 H SER 18 H SER 18 -5.431 -5.524 9.119 140 HA SER 18 HA SER 18 -3.620 -7.612 9.895 141 HB2 SER 18 2HB SER 18 -6.674 -7.636 9.853 142 HB3 SER 18 3HB SER 18 -5.617 -8.733 10.753 143 HG SER 18 HG SER 18 -4.787 -6.526 11.607 144 H THR 19 H THR 19 -5.920 -7.100 7.275 145 HA THR 19 HA THR 19 -5.940 -9.856 6.362 146 HB THR 19 HB THR 19 -7.499 -8.876 4.573 147 HG1 THR 19 HG1 THR 19 -8.228 -6.638 5.366 148 HG21 THR 19 1HG2 THR 19 -8.201 -8.274 7.476 149 HG22 THR 19 2HG2 THR 19 -8.396 -9.834 6.675 150 HG23 THR 19 3HG2 THR 19 -9.356 -8.453 6.147 151 H VAL 20 H VAL 20 -5.083 -10.637 4.490 152 HA VAL 20 HA VAL 20 -2.964 -9.166 3.129 153 HB VAL 20 HB VAL 20 -3.984 -12.031 2.764 154 HG11 VAL 20 1HG1 VAL 20 -1.938 -12.402 1.383 155 HG12 VAL 20 2HG1 VAL 20 -1.596 -10.673 1.462 156 HG13 VAL 20 3HG1 VAL 20 -3.046 -11.242 0.643 157 HG21 VAL 20 1HG2 VAL 20 -1.448 -10.995 4.095 158 HG22 VAL 20 2HG2 VAL 20 -1.862 -12.696 3.864 159 HG23 VAL 20 3HG2 VAL 20 -2.848 -11.687 4.921 160 H VAL 21 H VAL 21 -3.491 -7.877 1.496 161 HA VAL 21 HA VAL 21 -6.029 -8.173 0.032 162 HB VAL 21 HB VAL 21 -3.986 -5.894 0.060 163 HG11 VAL 21 1HG1 VAL 21 -5.238 -5.938 -2.063 164 HG12 VAL 21 2HG1 VAL 21 -5.698 -4.551 -1.083 165 HG13 VAL 21 3HG1 VAL 21 -6.765 -5.952 -1.172 166 HG21 VAL 21 1HG2 VAL 21 -5.663 -4.689 1.431 167 HG22 VAL 21 2HG2 VAL 21 -5.099 -6.155 2.232 168 HG23 VAL 21 3HG2 VAL 21 -6.681 -6.128 1.446 169 H GLY 22 H GLY 22 -6.107 -8.737 -2.103 170 HA2 GLY 22 2HA GLY 22 -3.902 -10.070 -3.315 171 HA3 GLY 22 3HA GLY 22 -5.480 -9.804 -4.026 172 H LEU 23 H LEU 23 -2.616 -9.575 -4.989 173 HA LEU 23 HA LEU 23 -1.861 -6.944 -5.541 174 HB2 LEU 23 2HB LEU 23 -0.471 -9.011 -5.764 175 HB3 LEU 23 3HB LEU 23 -1.346 -9.442 -7.216 176 HG LEU 23 HG LEU 23 0.236 -6.839 -7.085 177 HD11 LEU 23 1HD1 LEU 23 1.816 -8.590 -6.441 178 HD12 LEU 23 2HD1 LEU 23 2.182 -8.005 -8.060 179 HD13 LEU 23 3HD1 LEU 23 1.363 -9.558 -7.844 180 HD21 LEU 23 1HD2 LEU 23 -1.276 -7.089 -9.009 181 HD22 LEU 23 2HD2 LEU 23 -0.511 -8.619 -9.427 182 HD23 LEU 23 3HD2 LEU 23 0.411 -7.120 -9.530 183 H ASN 24 H ASN 24 -4.125 -9.071 -7.229 184 HA ASN 24 HA ASN 24 -4.388 -7.490 -9.607 185 HB2 ASN 24 2HB ASN 24 -4.797 -9.990 -9.454 186 HB3 ASN 24 3HB ASN 24 -6.291 -9.649 -8.588 187 HD21 ASN 24 1HD2 ASN 24 -7.484 -10.696 -10.237 188 HD22 ASN 24 2HD2 ASN 24 -7.756 -9.964 -11.777 189 H ILE 25 H ILE 25 -5.836 -7.242 -6.438 190 HA ILE 25 HA ILE 25 -8.106 -5.653 -7.507 191 HB ILE 25 HB ILE 25 -9.250 -5.909 -5.374 192 HG12 ILE 25 2HG1 ILE 25 -6.893 -7.563 -4.378 193 HG13 ILE 25 3HG1 ILE 25 -7.246 -5.918 -3.871 194 HG21 ILE 25 1HG2 ILE 25 -8.217 -8.592 -6.341 195 HG22 ILE 25 2HG2 ILE 25 -9.554 -7.685 -7.048 196 HG23 ILE 25 3HG2 ILE 25 -9.698 -8.332 -5.414 197 HD11 ILE 25 1HD1 ILE 25 -7.976 -7.453 -2.186 198 HD12 ILE 25 2HD1 ILE 25 -8.935 -8.365 -3.354 199 HD13 ILE 25 3HD1 ILE 25 -9.393 -6.714 -2.927 200 H ILE 26 H ILE 26 -5.047 -5.116 -6.544 201 HA ILE 26 HA ILE 26 -5.299 -2.610 -5.154 202 HB ILE 26 HB ILE 26 -3.033 -3.757 -6.855 203 HG12 ILE 26 2HG1 ILE 26 -3.473 -5.151 -4.863 204 HG13 ILE 26 3HG1 ILE 26 -1.909 -4.363 -4.744 205 HG21 ILE 26 1HG2 ILE 26 -1.531 -2.100 -5.789 206 HG22 ILE 26 2HG2 ILE 26 -2.918 -1.355 -4.995 207 HG23 ILE 26 3HG2 ILE 26 -2.793 -1.329 -6.752 208 HD11 ILE 26 1HD1 ILE 26 -4.423 -3.729 -3.227 209 HD12 ILE 26 2HD1 ILE 26 -3.007 -2.673 -3.227 210 HD13 ILE 26 3HD1 ILE 26 -2.883 -4.319 -2.614 211 H ASP 27 H ASP 27 -5.943 -0.709 -6.044 212 HA ASP 27 HA ASP 27 -6.330 -0.512 -8.967 213 HB2 ASP 27 2HB ASP 27 -8.282 -0.065 -7.521 214 HB3 ASP 27 3HB ASP 27 -7.402 1.212 -6.691 215 H ARG 28 H ARG 28 -5.075 1.516 -6.281 216 HA ARG 28 HA ARG 28 -2.984 2.617 -8.016 217 HB2 ARG 28 2HB ARG 28 -4.836 4.138 -8.488 218 HB3 ARG 28 3HB ARG 28 -5.204 4.311 -6.787 219 HG2 ARG 28 2HG ARG 28 -2.939 5.439 -6.497 220 HG3 ARG 28 3HG ARG 28 -2.798 5.433 -8.260 221 HD2 ARG 28 2HD ARG 28 -3.639 7.598 -7.420 222 HD3 ARG 28 3HD ARG 28 -4.838 6.794 -8.440 223 HE ARG 28 HE ARG 28 -5.168 6.239 -5.626 224 HH11 ARG 28 1HH1 ARG 28 -6.012 8.540 -8.160 225 HH12 ARG 28 2HH1 ARG 28 -7.416 9.129 -7.323 226 HH21 ARG 28 1HH2 ARG 28 -7.016 7.028 -4.550 227 HH22 ARG 28 2HH2 ARG 28 -7.971 8.266 -5.286 228 H ILE 29 H ILE 29 -1.182 3.108 -6.887 229 HA ILE 29 HA ILE 29 -1.164 2.894 -3.926 230 HB ILE 29 HB ILE 29 1.089 2.483 -5.975 231 HG12 ILE 29 2HG1 ILE 29 -0.382 0.453 -4.225 232 HG13 ILE 29 3HG1 ILE 29 -0.587 0.643 -5.961 233 HG21 ILE 29 1HG2 ILE 29 2.031 3.405 -3.902 234 HG22 ILE 29 2HG2 ILE 29 2.489 1.709 -4.073 235 HG23 ILE 29 3HG2 ILE 29 1.210 2.170 -2.951 236 HD11 ILE 29 1HD1 ILE 29 1.914 -0.296 -4.555 237 HD12 ILE 29 2HD1 ILE 29 1.743 -0.059 -6.297 238 HD13 ILE 29 3HD1 ILE 29 0.770 -1.275 -5.474 239 H GLN 30 H GLN 30 -0.193 4.519 -2.725 240 HA GLN 30 HA GLN 30 1.056 6.844 -4.058 241 HB2 GLN 30 2HB GLN 30 -1.245 7.539 -3.581 242 HB3 GLN 30 3HB GLN 30 -1.136 6.924 -1.933 243 HG2 GLN 30 2HG GLN 30 0.570 8.656 -1.408 244 HG3 GLN 30 3HG GLN 30 0.422 9.294 -3.046 245 HE21 GLN 30 1HE2 GLN 30 -0.100 10.564 -0.419 246 HE22 GLN 30 2HE2 GLN 30 -1.722 11.155 -0.517 247 H VAL 31 H VAL 31 2.987 7.201 -3.164 248 HA VAL 31 HA VAL 31 3.573 6.234 -0.420 249 HB VAL 31 HB VAL 31 5.479 6.718 -2.764 250 HG11 VAL 31 1HG1 VAL 31 7.241 5.761 -1.317 251 HG12 VAL 31 2HG1 VAL 31 6.102 5.695 0.027 252 HG13 VAL 31 3HG1 VAL 31 6.587 7.255 -0.639 253 HG21 VAL 31 1HG2 VAL 31 4.127 4.670 -3.059 254 HG22 VAL 31 2HG2 VAL 31 4.612 4.101 -1.459 255 HG23 VAL 31 3HG2 VAL 31 5.815 4.261 -2.741 256 H THR 32 H THR 32 3.436 7.895 0.986 257 HA THR 32 HA THR 32 4.016 10.644 0.240 258 HB THR 32 HB THR 32 3.224 9.525 2.977 259 HG1 THR 32 HG1 THR 32 1.196 9.587 2.317 260 HG21 THR 32 1HG2 THR 32 2.998 12.351 1.839 261 HG22 THR 32 2HG2 THR 32 4.127 11.832 3.091 262 HG23 THR 32 3HG2 THR 32 2.395 11.823 3.417 263 HA PRO 33 HA PRO 33 8.373 10.080 1.419 264 HB2 PRO 33 2HB PRO 33 8.488 13.088 1.373 265 HB3 PRO 33 3HB PRO 33 9.429 11.901 0.439 266 HG2 PRO 33 2HG PRO 33 7.522 13.327 -0.749 267 HG3 PRO 33 3HG PRO 33 7.742 11.610 -1.168 268 HD2 PRO 33 2HD PRO 33 5.691 12.853 0.682 269 HD3 PRO 33 3HD PRO 33 5.465 11.626 -0.589 270 HA PRO 34 HA PRO 34 8.385 10.695 5.926 271 HB2 PRO 34 2HB PRO 34 11.141 10.345 6.312 272 HB3 PRO 34 3HB PRO 34 9.976 9.024 6.138 273 HG2 PRO 34 2HG PRO 34 11.789 10.208 4.064 274 HG3 PRO 34 3HG PRO 34 11.402 8.497 4.378 275 HD2 PRO 34 2HD PRO 34 10.229 9.824 2.357 276 HD3 PRO 34 3HD PRO 34 9.326 8.628 3.312 277 H GLY 35 H GLY 35 7.870 12.846 6.178 278 HA2 GLY 35 2HA GLY 35 9.644 14.643 7.250 279 HA3 GLY 35 3HA GLY 35 9.611 15.045 5.535 280 H ASN 36 H ASN 36 6.914 14.515 4.965 281 HA ASN 36 HA ASN 36 5.799 17.030 5.916 282 HB2 ASN 36 2HB ASN 36 5.775 16.485 3.499 283 HB3 ASN 36 3HB ASN 36 4.781 15.065 3.813 284 HD21 ASN 36 1HD2 ASN 36 2.560 15.359 4.248 285 HD22 ASN 36 2HD2 ASN 36 1.755 16.865 3.994 286 H GLY 37 H GLY 37 5.550 16.191 8.130 287 HA2 GLY 37 2HA GLY 37 3.959 15.946 9.795 288 HA3 GLY 37 3HA GLY 37 2.808 15.360 8.612 289 H CYS 38 H CYS 38 5.012 13.308 7.782 290 HA CYS 38 HA CYS 38 4.748 11.445 10.071 291 HB2 CYS 38 2HB CYS 38 4.782 9.626 8.286 292 HB3 CYS 38 3HB CYS 38 3.334 10.623 8.301 293 HA PRO 39 HA PRO 39 9.255 11.594 9.672 294 HB2 PRO 39 2HB PRO 39 9.946 10.006 11.752 295 HB3 PRO 39 3HB PRO 39 9.150 11.574 12.024 296 HG2 PRO 39 2HG PRO 39 7.935 8.826 12.025 297 HG3 PRO 39 3HG PRO 39 7.685 10.157 13.178 298 HD2 PRO 39 2HD PRO 39 5.950 9.605 11.095 299 HD3 PRO 39 3HD PRO 39 6.139 11.221 11.809 300 H LYS 40 H LYS 40 7.348 8.917 8.875 301 HA LYS 40 HA LYS 40 9.668 7.324 7.914 302 HB2 LYS 40 2HB LYS 40 6.984 6.283 8.944 303 HB3 LYS 40 3HB LYS 40 8.240 5.283 8.215 304 HG2 LYS 40 2HG LYS 40 9.780 5.909 10.082 305 HG3 LYS 40 3HG LYS 40 8.461 6.832 10.815 306 HD2 LYS 40 2HD LYS 40 7.108 4.722 10.951 307 HD3 LYS 40 3HD LYS 40 8.493 3.829 10.307 308 HE2 LYS 40 2HE LYS 40 8.424 3.595 12.729 309 HE3 LYS 40 3HE LYS 40 9.837 4.550 12.283 310 HZ1 LYS 40 1HZ LYS 40 8.633 5.459 14.198 311 HZ2 LYS 40 2HZ LYS 40 7.259 5.690 13.237 312 HZ3 LYS 40 3HZ LYS 40 8.675 6.547 12.907 313 H THR 41 H THR 41 9.220 6.022 6.001 314 HA THR 41 HA THR 41 7.811 7.372 3.925 315 HB THR 41 HB THR 41 9.018 4.563 3.987 316 HG1 THR 41 HG1 THR 41 10.436 6.452 4.276 317 HG21 THR 41 1HG2 THR 41 8.189 6.227 1.563 318 HG22 THR 41 2HG2 THR 41 7.360 4.775 2.139 319 HG23 THR 41 3HG2 THR 41 9.006 4.667 1.512 320 H GLU 42 H GLU 42 5.647 7.352 3.751 321 HA GLU 42 HA GLU 42 4.030 5.205 4.960 322 HB2 GLU 42 2HB GLU 42 3.503 7.524 5.598 323 HB3 GLU 42 3HB GLU 42 3.277 7.960 3.906 324 HG2 GLU 42 2HG GLU 42 1.349 6.375 3.780 325 HG3 GLU 42 3HG GLU 42 1.562 6.011 5.493 326 H VAL 43 H VAL 43 3.010 3.717 3.695 327 HA VAL 43 HA VAL 43 2.656 4.262 0.791 328 HB VAL 43 HB VAL 43 2.985 1.515 2.110 329 HG11 VAL 43 1HG1 VAL 43 3.201 0.671 -0.210 330 HG12 VAL 43 2HG1 VAL 43 2.903 2.297 -0.833 331 HG13 VAL 43 3HG1 VAL 43 1.635 1.446 0.054 332 HG21 VAL 43 1HG2 VAL 43 5.226 1.402 1.076 333 HG22 VAL 43 2HG2 VAL 43 5.121 2.737 2.228 334 HG23 VAL 43 3HG2 VAL 43 5.049 3.063 0.496 335 H VAL 44 H VAL 44 0.605 5.012 0.776 336 HA VAL 44 HA VAL 44 -1.557 3.423 2.040 337 HB VAL 44 HB VAL 44 -3.047 5.455 1.694 338 HG11 VAL 44 1HG1 VAL 44 -0.655 5.898 3.520 339 HG12 VAL 44 2HG1 VAL 44 -2.095 4.956 3.898 340 HG13 VAL 44 3HG1 VAL 44 -2.226 6.695 3.658 341 HG21 VAL 44 1HG2 VAL 44 -1.668 6.623 -0.040 342 HG22 VAL 44 2HG2 VAL 44 -0.470 7.005 1.199 343 HG23 VAL 44 3HG2 VAL 44 -2.100 7.667 1.317 344 H ILE 45 H ILE 45 -2.884 2.321 0.742 345 HA ILE 45 HA ILE 45 -2.714 2.737 -2.194 346 HB ILE 45 HB ILE 45 -3.084 0.094 -0.701 347 HG12 ILE 45 2HG1 ILE 45 -0.639 1.070 -2.235 348 HG13 ILE 45 3HG1 ILE 45 -0.760 1.006 -0.485 349 HG21 ILE 45 1HG2 ILE 45 -2.773 0.620 -3.676 350 HG22 ILE 45 2HG2 ILE 45 -4.248 0.092 -2.858 351 HG23 ILE 45 3HG2 ILE 45 -2.842 -0.970 -2.918 352 HD11 ILE 45 1HD1 ILE 45 0.528 -0.848 -1.320 353 HD12 ILE 45 2HD1 ILE 45 -0.802 -1.368 -2.354 354 HD13 ILE 45 3HD1 ILE 45 -0.967 -1.439 -0.596 355 H TRP 46 H TRP 46 -4.643 3.213 -3.111 356 HA TRP 46 HA TRP 46 -7.206 2.622 -1.835 357 HB2 TRP 46 2HB TRP 46 -6.478 3.908 -4.505 358 HB3 TRP 46 3HB TRP 46 -8.130 3.634 -3.986 359 HD1 TRP 46 HD1 TRP 46 -5.017 5.731 -2.947 360 HE1 TRP 46 HE1 TRP 46 -5.874 7.852 -1.762 361 HE3 TRP 46 HE3 TRP 46 -10.026 4.640 -2.788 362 HZ2 TRP 46 HZ2 TRP 46 -8.323 8.923 -0.878 363 HZ3 TRP 46 HZ3 TRP 46 -11.562 6.262 -1.746 364 HH2 TRP 46 HH2 TRP 46 -10.720 8.361 -0.810 365 H THR 47 H THR 47 -8.142 0.654 -2.139 366 HA THR 47 HA THR 47 -7.327 -1.205 -4.235 367 HB THR 47 HB THR 47 -9.130 -2.670 -3.217 368 HG1 THR 47 HG1 THR 47 -9.390 -0.882 -1.088 369 HG21 THR 47 1HG2 THR 47 -8.010 -3.036 -1.062 370 HG22 THR 47 2HG2 THR 47 -7.228 -1.458 -1.170 371 HG23 THR 47 3HG2 THR 47 -6.807 -2.727 -2.322 372 H LYS 48 H LYS 48 -9.243 -2.276 -5.534 373 HA LYS 48 HA LYS 48 -10.639 -0.252 -7.026 374 HB2 LYS 48 2HB LYS 48 -11.473 -2.041 -8.419 375 HB3 LYS 48 3HB LYS 48 -9.789 -2.378 -8.048 376 HG2 LYS 48 2HG LYS 48 -10.522 -4.011 -6.322 377 HG3 LYS 48 3HG LYS 48 -12.198 -3.707 -6.758 378 HD2 LYS 48 2HD LYS 48 -10.059 -4.888 -8.584 379 HD3 LYS 48 3HD LYS 48 -11.372 -5.776 -7.811 380 HE2 LYS 48 2HE LYS 48 -13.017 -4.405 -9.111 381 HE3 LYS 48 3HE LYS 48 -11.667 -3.619 -9.933 382 HZ1 LYS 48 1HZ LYS 48 -12.520 -5.390 -11.294 383 HZ2 LYS 48 2HZ LYS 48 -12.350 -6.507 -10.043 384 HZ3 LYS 48 3HZ LYS 48 -10.979 -5.824 -10.745 385 H MET 49 H MET 49 -11.369 -1.925 -4.158 386 HA MET 49 HA MET 49 -14.241 -1.451 -4.191 387 HB2 MET 49 2HB MET 49 -12.418 -2.263 -1.874 388 HB3 MET 49 3HB MET 49 -14.180 -2.270 -1.856 389 HG2 MET 49 2HG MET 49 -13.503 -4.515 -2.141 390 HG3 MET 49 3HG MET 49 -14.085 -3.983 -3.720 391 HE1 MET 49 1HE MET 49 -12.907 -6.048 -4.900 392 HE2 MET 49 2HE MET 49 -12.302 -6.634 -3.348 393 HE3 MET 49 3HE MET 49 -11.202 -6.448 -4.713 394 H LYS 50 H LYS 50 -11.683 0.557 -4.039 395 HA LYS 50 HA LYS 50 -11.241 2.667 -3.446 396 HB2 LYS 50 2HB LYS 50 -14.209 2.738 -2.793 397 HB3 LYS 50 3HB LYS 50 -13.173 4.126 -2.500 398 HG2 LYS 50 2HG LYS 50 -14.311 4.476 -4.583 399 HG3 LYS 50 3HG LYS 50 -12.610 4.182 -4.942 400 HD2 LYS 50 2HD LYS 50 -13.986 3.011 -6.574 401 HD3 LYS 50 3HD LYS 50 -13.192 1.820 -5.548 402 HE2 LYS 50 2HE LYS 50 -15.304 1.606 -4.225 403 HE3 LYS 50 3HE LYS 50 -16.085 2.735 -5.334 404 HZ1 LYS 50 1HZ LYS 50 -14.944 0.085 -6.050 405 HZ2 LYS 50 2HZ LYS 50 -15.626 1.171 -7.147 406 HZ3 LYS 50 3HZ LYS 50 -16.583 0.471 -5.944 407 H LYS 51 H LYS 51 -11.327 0.295 -1.408 408 HA LYS 51 HA LYS 51 -11.547 1.568 1.165 409 HB2 LYS 51 2HB LYS 51 -11.936 -0.855 0.956 410 HB3 LYS 51 3HB LYS 51 -10.300 -1.103 0.355 411 HG2 LYS 51 2HG LYS 51 -9.420 -0.301 2.581 412 HG3 LYS 51 3HG LYS 51 -11.079 -0.228 3.174 413 HD2 LYS 51 2HD LYS 51 -9.844 -2.789 2.090 414 HD3 LYS 51 3HD LYS 51 -9.691 -2.316 3.779 415 HE2 LYS 51 2HE LYS 51 -11.508 -3.908 3.556 416 HE3 LYS 51 3HE LYS 51 -12.180 -2.337 3.977 417 HZ1 LYS 51 1HZ LYS 51 -12.074 -3.382 1.202 418 HZ2 LYS 51 2HZ LYS 51 -12.924 -2.031 1.759 419 HZ3 LYS 51 3HZ LYS 51 -13.399 -3.580 2.227 420 H VAL 52 H VAL 52 -10.054 2.733 2.151 421 HA VAL 52 HA VAL 52 -7.406 3.126 0.970 422 HB VAL 52 HB VAL 52 -8.679 4.503 3.404 423 HG11 VAL 52 1HG1 VAL 52 -6.198 5.282 1.801 424 HG12 VAL 52 2HG1 VAL 52 -6.188 4.582 3.420 425 HG13 VAL 52 3HG1 VAL 52 -6.884 6.181 3.156 426 HG21 VAL 52 1HG2 VAL 52 -8.480 5.423 0.512 427 HG22 VAL 52 2HG2 VAL 52 -9.028 6.429 1.856 428 HG23 VAL 52 3HG2 VAL 52 -9.958 5.009 1.383 429 H ILE 53 H ILE 53 -6.185 1.395 1.439 430 HA ILE 53 HA ILE 53 -5.925 0.450 4.231 431 HB ILE 53 HB ILE 53 -4.681 -1.472 3.405 432 HG12 ILE 53 2HG1 ILE 53 -4.863 -0.304 0.580 433 HG13 ILE 53 3HG1 ILE 53 -3.406 -0.389 1.555 434 HG21 ILE 53 1HG2 ILE 53 -6.396 -2.615 2.048 435 HG22 ILE 53 2HG2 ILE 53 -7.133 -1.059 1.657 436 HG23 ILE 53 3HG2 ILE 53 -7.136 -1.641 3.322 437 HD11 ILE 53 1HD1 ILE 53 -4.964 -2.683 0.398 438 HD12 ILE 53 2HD1 ILE 53 -3.602 -2.863 1.508 439 HD13 ILE 53 3HD1 ILE 53 -3.363 -2.119 -0.070 440 H CYS 54 H CYS 54 -3.813 0.383 5.194 441 HA CYS 54 HA CYS 54 -1.691 1.958 3.879 442 HB2 CYS 54 2HB CYS 54 -2.966 3.388 5.562 443 HB3 CYS 54 3HB CYS 54 -2.404 2.297 6.824 444 H VAL 55 H VAL 55 0.195 0.945 3.999 445 HA VAL 55 HA VAL 55 0.588 -1.287 5.912 446 HB VAL 55 HB VAL 55 1.904 -2.498 4.153 447 HG11 VAL 55 1HG1 VAL 55 -0.968 -1.932 3.341 448 HG12 VAL 55 2HG1 VAL 55 -0.420 -3.145 4.500 449 HG13 VAL 55 3HG1 VAL 55 0.003 -3.305 2.798 450 HG21 VAL 55 1HG2 VAL 55 2.526 -0.584 2.734 451 HG22 VAL 55 2HG2 VAL 55 0.850 -0.396 2.220 452 HG23 VAL 55 3HG2 VAL 55 1.748 -1.849 1.781 453 H ASN 56 H ASN 56 2.811 -1.738 6.376 454 HA ASN 56 HA ASN 56 4.520 0.595 6.574 455 HB2 ASN 56 2HB ASN 56 4.884 -2.308 7.468 456 HB3 ASN 56 3HB ASN 56 6.066 -1.038 7.762 457 HD21 ASN 56 1HD2 ASN 56 2.536 -0.575 8.019 458 HD22 ASN 56 2HD2 ASN 56 2.531 -0.357 9.724 459 HA PRO 57 HA PRO 57 6.728 0.059 2.736 460 HB2 PRO 57 2HB PRO 57 9.407 0.482 3.526 461 HB3 PRO 57 3HB PRO 57 8.225 1.755 3.174 462 HG2 PRO 57 2HG PRO 57 9.015 0.617 5.839 463 HG3 PRO 57 3HG PRO 57 8.737 2.312 5.380 464 HD2 PRO 57 2HD PRO 57 6.861 0.963 6.726 465 HD3 PRO 57 3HD PRO 57 6.385 2.072 5.415 466 H ARG 58 H ARG 58 7.835 -1.914 5.463 467 HA ARG 58 HA ARG 58 9.352 -3.731 3.733 468 HB2 ARG 58 2HB ARG 58 10.336 -4.612 5.693 469 HB3 ARG 58 3HB ARG 58 10.152 -2.904 6.034 470 HG2 ARG 58 2HG ARG 58 9.266 -3.557 8.016 471 HG3 ARG 58 3HG ARG 58 7.812 -3.932 7.099 472 HD2 ARG 58 2HD ARG 58 8.537 -6.298 6.888 473 HD3 ARG 58 3HD ARG 58 10.037 -5.923 7.734 474 HE ARG 58 HE ARG 58 7.741 -5.272 9.309 475 HH11 ARG 58 1HH1 ARG 58 9.723 -8.029 8.292 476 HH12 ARG 58 2HH1 ARG 58 9.334 -8.972 9.701 477 HH21 ARG 58 1HH2 ARG 58 7.289 -6.531 11.158 478 HH22 ARG 58 2HH2 ARG 58 7.966 -8.122 11.306 479 H ALA 59 H ALA 59 6.163 -3.487 4.204 480 HA ALA 59 HA ALA 59 5.232 -5.848 5.384 481 HB1 ALA 59 1HB ALA 59 3.068 -5.351 4.202 482 HB2 ALA 59 2HB ALA 59 3.899 -4.079 3.306 483 HB3 ALA 59 3HB ALA 59 3.755 -3.965 5.052 484 H LYS 60 H LYS 60 4.344 -7.741 4.509 485 HA LYS 60 HA LYS 60 6.389 -9.036 3.006 486 HB2 LYS 60 2HB LYS 60 3.856 -10.143 4.290 487 HB3 LYS 60 3HB LYS 60 5.078 -11.146 3.520 488 HG2 LYS 60 2HG LYS 60 5.430 -11.271 5.874 489 HG3 LYS 60 3HG LYS 60 6.747 -10.310 5.205 490 HD2 LYS 60 2HD LYS 60 5.721 -8.253 6.026 491 HD3 LYS 60 3HD LYS 60 4.280 -9.129 6.547 492 HE2 LYS 60 2HE LYS 60 7.078 -9.452 7.684 493 HE3 LYS 60 3HE LYS 60 5.729 -8.622 8.465 494 HZ1 LYS 60 1HZ LYS 60 5.792 -10.748 9.404 495 HZ2 LYS 60 2HZ LYS 60 6.037 -11.515 7.922 496 HZ3 LYS 60 3HZ LYS 60 4.529 -10.842 8.289 497 H TRP 61 H TRP 61 2.838 -8.740 2.452 498 HA TRP 61 HA TRP 61 3.017 -9.992 -0.142 499 HB2 TRP 61 2HB TRP 61 0.615 -9.597 -0.358 500 HB3 TRP 61 3HB TRP 61 0.980 -10.221 1.241 501 HD1 TRP 61 HD1 TRP 61 0.212 -8.788 3.294 502 HE1 TRP 61 HE1 TRP 61 -1.129 -6.617 3.563 503 HE3 TRP 61 HE3 TRP 61 0.225 -7.182 -1.569 504 HZ2 TRP 61 HZ2 TRP 61 -2.061 -4.511 1.948 505 HZ3 TRP 61 HZ3 TRP 61 -0.917 -5.072 -2.119 506 HH2 TRP 61 HH2 TRP 61 -2.033 -3.765 -0.394 507 H LEU 62 H LEU 62 3.384 -6.762 1.020 508 HA LEU 62 HA LEU 62 2.929 -5.291 -1.369 509 HB2 LEU 62 2HB LEU 62 3.108 -4.221 0.856 510 HB3 LEU 62 3HB LEU 62 4.792 -4.712 0.967 511 HG LEU 62 HG LEU 62 5.263 -3.209 -1.065 512 HD11 LEU 62 1HD1 LEU 62 3.663 -1.440 -1.604 513 HD12 LEU 62 2HD1 LEU 62 2.466 -2.170 -0.535 514 HD13 LEU 62 3HD1 LEU 62 3.010 -3.034 -1.974 515 HD21 LEU 62 1HD2 LEU 62 5.257 -1.108 0.245 516 HD22 LEU 62 2HD2 LEU 62 5.896 -2.476 1.148 517 HD23 LEU 62 3HD2 LEU 62 4.265 -1.893 1.473 518 H GLN 63 H GLN 63 5.619 -7.246 -0.193 519 HA GLN 63 HA GLN 63 7.675 -6.392 -1.916 520 HB2 GLN 63 2HB GLN 63 7.236 -9.151 -0.704 521 HB3 GLN 63 3HB GLN 63 8.733 -8.604 -1.460 522 HG2 GLN 63 2HG GLN 63 8.909 -6.804 0.269 523 HG3 GLN 63 3HG GLN 63 7.481 -7.470 1.064 524 HE21 GLN 63 1HE2 GLN 63 10.200 -7.192 2.108 525 HE22 GLN 63 2HE2 GLN 63 10.706 -8.780 2.555 526 H ARG 64 H ARG 64 4.862 -8.260 -2.617 527 HA ARG 64 HA ARG 64 5.743 -9.498 -5.057 528 HB2 ARG 64 2HB ARG 64 2.935 -8.753 -4.128 529 HB3 ARG 64 3HB ARG 64 3.295 -9.751 -5.534 530 HG2 ARG 64 2HG ARG 64 4.256 -11.485 -4.083 531 HG3 ARG 64 3HG ARG 64 3.952 -10.483 -2.658 532 HD2 ARG 64 2HD ARG 64 1.869 -11.658 -4.537 533 HD3 ARG 64 3HD ARG 64 2.176 -12.129 -2.862 534 HE ARG 64 HE ARG 64 1.515 -9.353 -3.081 535 HH11 ARG 64 1HH1 ARG 64 0.026 -12.544 -2.962 536 HH12 ARG 64 2HH1 ARG 64 -1.497 -11.939 -2.389 537 HH21 ARG 64 1HH2 ARG 64 -0.484 -8.570 -2.369 538 HH22 ARG 64 2HH2 ARG 64 -1.782 -9.675 -2.051 539 H LEU 65 H LEU 65 4.222 -6.432 -4.166 540 HA LEU 65 HA LEU 65 3.865 -5.418 -6.842 541 HB2 LEU 65 2HB LEU 65 3.746 -4.131 -4.083 542 HB3 LEU 65 3HB LEU 65 3.633 -3.159 -5.532 543 HG LEU 65 HG LEU 65 1.421 -3.517 -4.575 544 HD11 LEU 65 1HD1 LEU 65 0.176 -4.270 -6.510 545 HD12 LEU 65 2HD1 LEU 65 1.609 -5.035 -7.193 546 HD13 LEU 65 3HD1 LEU 65 1.544 -3.281 -7.016 547 HD21 LEU 65 1HD2 LEU 65 0.311 -5.702 -4.439 548 HD22 LEU 65 2HD2 LEU 65 1.737 -5.650 -3.408 549 HD23 LEU 65 3HD2 LEU 65 1.792 -6.513 -4.948 550 H LEU 66 H LEU 66 6.288 -5.193 -4.305 551 HA LEU 66 HA LEU 66 7.981 -3.254 -5.532 552 HB2 LEU 66 2HB LEU 66 8.622 -5.281 -3.346 553 HB3 LEU 66 3HB LEU 66 9.650 -3.931 -3.804 554 HG LEU 66 HG LEU 66 6.898 -3.723 -2.511 555 HD11 LEU 66 1HD1 LEU 66 8.633 -4.445 -0.936 556 HD12 LEU 66 2HD1 LEU 66 8.070 -2.820 -0.567 557 HD13 LEU 66 3HD1 LEU 66 9.627 -3.052 -1.368 558 HD21 LEU 66 1HD2 LEU 66 7.181 -1.847 -4.034 559 HD22 LEU 66 2HD2 LEU 66 8.768 -1.486 -3.351 560 HD23 LEU 66 3HD2 LEU 66 7.316 -1.290 -2.368 561 H ARG 67 H ARG 67 7.762 -6.775 -5.696 562 HA ARG 67 HA ARG 67 10.190 -7.110 -7.252 563 HB2 ARG 67 2HB ARG 67 9.350 -8.920 -5.786 564 HB3 ARG 67 3HB ARG 67 7.862 -9.018 -6.723 565 HG2 ARG 67 2HG ARG 67 9.200 -9.748 -8.715 566 HG3 ARG 67 3HG ARG 67 10.654 -9.714 -7.712 567 HD2 ARG 67 2HD ARG 67 9.752 -11.466 -6.270 568 HD3 ARG 67 3HD ARG 67 8.216 -11.432 -7.135 569 HE ARG 67 HE ARG 67 10.777 -12.475 -8.170 570 HH11 ARG 67 1HH1 ARG 67 7.280 -12.249 -8.470 571 HH12 ARG 67 2HH1 ARG 67 7.185 -13.493 -9.683 572 HH21 ARG 67 1HH2 ARG 67 10.639 -14.124 -9.721 573 HH22 ARG 67 2HH2 ARG 67 9.094 -14.549 -10.388 574 H HIS 68 H HIS 68 6.735 -6.726 -7.885 575 HA HIS 68 HA HIS 68 6.742 -7.468 -10.641 576 HB2 HIS 68 2HB HIS 68 4.681 -7.423 -9.223 577 HB3 HIS 68 3HB HIS 68 4.771 -5.667 -9.157 578 HD1 HIS 68 HD1 HIS 68 4.025 -8.506 -11.543 579 HD2 HIS 68 HD2 HIS 68 3.695 -4.364 -11.377 580 HE1 HIS 68 HE1 HIS 68 2.696 -7.843 -13.570 581 HE2 HIS 68 HE2 HIS 68 2.734 -5.337 -13.551 582 H VAL 69 H VAL 69 7.336 -4.415 -8.971 583 HA VAL 69 HA VAL 69 7.483 -2.847 -11.414 584 HB VAL 69 HB VAL 69 6.804 -1.934 -9.125 585 HG11 VAL 69 1HG1 VAL 69 9.781 -1.938 -8.574 586 HG12 VAL 69 2HG1 VAL 69 8.578 -2.946 -7.771 587 HG13 VAL 69 3HG1 VAL 69 8.536 -1.193 -7.565 588 HG21 VAL 69 1HG2 VAL 69 7.273 -0.406 -10.987 589 HG22 VAL 69 2HG2 VAL 69 8.990 -0.399 -10.578 590 HG23 VAL 69 3HG2 VAL 69 7.812 0.294 -9.460 591 H GLN 70 H GLN 70 9.527 -5.107 -10.020 592 HA GLN 70 HA GLN 70 11.983 -3.991 -11.231 593 HB2 GLN 70 2HB GLN 70 11.586 -6.210 -9.169 594 HB3 GLN 70 3HB GLN 70 13.143 -5.776 -9.866 595 HG2 GLN 70 2HG GLN 70 11.397 -3.971 -8.171 596 HG3 GLN 70 3HG GLN 70 12.845 -4.808 -7.626 597 HE21 GLN 70 1HE2 GLN 70 11.616 -2.163 -9.538 598 HE22 GLN 70 2HE2 GLN 70 13.120 -1.339 -9.724 599 H SER 71 H SER 71 9.529 -5.553 -12.469 600 HA SER 71 HA SER 71 10.641 -7.857 -13.698 601 HB2 SER 71 2HB SER 71 8.508 -5.955 -14.793 602 HB3 SER 71 3HB SER 71 8.825 -7.596 -15.365 603 HG SER 71 HG SER 71 7.186 -6.893 -13.461 604 H LYS 72 H LYS 72 11.901 -8.080 -15.552 605 HA LYS 72 HA LYS 72 13.752 -6.082 -16.252 606 HB2 LYS 72 2HB LYS 72 12.935 -8.503 -17.927 607 HB3 LYS 72 3HB LYS 72 14.417 -7.571 -18.128 608 HG2 LYS 72 2HG LYS 72 15.209 -8.314 -15.918 609 HG3 LYS 72 3HG LYS 72 13.699 -9.202 -15.668 610 HD2 LYS 72 2HD LYS 72 14.278 -10.520 -17.803 611 HD3 LYS 72 3HD LYS 72 15.882 -9.785 -17.710 612 HE2 LYS 72 2HE LYS 72 15.840 -12.043 -16.707 613 HE3 LYS 72 3HE LYS 72 16.239 -10.819 -15.500 614 HZ1 LYS 72 1HZ LYS 72 14.629 -12.467 -14.702 615 HZ2 LYS 72 2HZ LYS 72 13.529 -11.983 -15.893 616 HZ3 LYS 72 3HZ LYS 72 13.998 -10.901 -14.681 617 H SER 73 H SER 73 14.003 -4.820 -18.166 618 HA SER 73 HA SER 73 11.561 -3.868 -19.426 619 HB2 SER 73 2HB SER 73 13.469 -2.347 -18.683 620 HB3 SER 73 3HB SER 73 14.435 -2.997 -20.008 621 HG SER 73 HG SER 73 12.918 -0.956 -20.178 622 H LEU 74 H LEU 74 12.588 -6.642 -19.968 623 HA LEU 74 HA LEU 74 13.367 -6.963 -22.652 624 HB2 LEU 74 2HB LEU 74 13.580 -8.748 -20.934 625 HB3 LEU 74 3HB LEU 74 11.834 -8.822 -20.777 626 HG LEU 74 HG LEU 74 11.712 -9.633 -23.184 627 HD11 LEU 74 1HD1 LEU 74 14.727 -9.799 -22.944 628 HD12 LEU 74 2HD1 LEU 74 13.803 -8.783 -24.054 629 HD13 LEU 74 3HD1 LEU 74 13.764 -10.533 -24.228 630 HD21 LEU 74 1HD2 LEU 74 12.424 -11.932 -22.693 631 HD22 LEU 74 2HD2 LEU 74 11.554 -11.217 -21.339 632 HD23 LEU 74 3HD2 LEU 74 13.314 -11.363 -21.277 633 H SER 75 H SER 75 12.172 -5.813 -24.064 634 HA SER 75 HA SER 75 9.280 -5.640 -23.966 635 HB2 SER 75 2HB SER 75 11.154 -4.577 -26.120 636 HB3 SER 75 3HB SER 75 9.507 -4.037 -25.766 637 HG SER 75 HG SER 75 10.804 -3.784 -23.513 638 H SER 76 H SER 76 9.134 -8.009 -24.108 639 HA SER 76 HA SER 76 9.759 -9.410 -26.522 640 HB2 SER 76 2HB SER 76 8.423 -11.268 -25.397 641 HB3 SER 76 3HB SER 76 9.749 -10.626 -24.429 642 HG SER 76 HG SER 76 7.192 -9.512 -24.144 643 H THR 77 H THR 77 8.627 -9.199 -28.384 644 HA THR 77 HA THR 77 6.099 -7.875 -28.587 645 HB THR 77 HB THR 77 7.746 -9.352 -30.688 646 HG1 THR 77 HG1 THR 77 8.788 -7.519 -29.792 647 HG21 THR 77 1HG2 THR 77 5.379 -9.152 -31.420 648 HG22 THR 77 2HG2 THR 77 6.420 -8.098 -32.376 649 HG23 THR 77 3HG2 THR 77 5.410 -7.419 -31.095 650 HA PRO 78 HA PRO 78 3.912 -11.878 -28.062 651 HB2 PRO 78 2HB PRO 78 1.400 -10.869 -27.596 652 HB3 PRO 78 3HB PRO 78 2.666 -10.890 -26.351 653 HG2 PRO 78 2HG PRO 78 1.709 -8.607 -28.028 654 HG3 PRO 78 3HG PRO 78 2.212 -8.620 -26.322 655 HD2 PRO 78 2HD PRO 78 3.827 -7.774 -28.430 656 HD3 PRO 78 3HD PRO 78 4.437 -8.330 -26.856 657 H GLN 79 H GLN 79 3.839 -12.849 -30.038 658 HA GLN 79 HA GLN 79 2.046 -11.803 -32.134 659 HB2 GLN 79 2HB GLN 79 3.040 -13.281 -33.699 660 HB3 GLN 79 3HB GLN 79 4.352 -12.588 -32.777 661 HG2 GLN 79 2HG GLN 79 5.082 -14.771 -32.980 662 HG3 GLN 79 3HG GLN 79 4.240 -14.885 -31.449 663 HE21 GLN 79 1HE2 GLN 79 4.109 -15.698 -34.837 664 HE22 GLN 79 2HE2 GLN 79 2.913 -16.938 -34.704 665 H ALA 80 H ALA 80 0.244 -12.873 -32.819 666 HA ALA 80 HA ALA 80 -0.623 -15.351 -31.520 667 HB1 ALA 80 1HB ALA 80 -2.802 -14.349 -30.874 668 HB2 ALA 80 2HB ALA 80 -2.253 -12.763 -31.428 669 HB3 ALA 80 3HB ALA 80 -1.474 -13.540 -30.046 670 HA PRO 81 HA PRO 81 -2.632 -15.979 -35.608 671 HB2 PRO 81 2HB PRO 81 -5.038 -16.967 -34.050 672 HB3 PRO 81 3HB PRO 81 -4.157 -17.743 -35.388 673 HG2 PRO 81 2HG PRO 81 -3.804 -18.643 -32.921 674 HG3 PRO 81 3HG PRO 81 -2.403 -18.471 -34.009 675 HD2 PRO 81 2HD PRO 81 -3.281 -16.629 -31.767 676 HD3 PRO 81 3HD PRO 81 -1.649 -17.212 -32.183 677 H VAL 82 H VAL 82 -4.236 -14.973 -36.909 678 HA VAL 82 HA VAL 82 -5.753 -13.483 -37.667 679 HB VAL 82 HB VAL 82 -6.807 -13.141 -34.816 680 HG11 VAL 82 1HG1 VAL 82 -8.213 -12.783 -37.489 681 HG12 VAL 82 2HG1 VAL 82 -7.712 -11.490 -36.397 682 HG13 VAL 82 3HG1 VAL 82 -8.963 -12.623 -35.894 683 HG21 VAL 82 1HG2 VAL 82 -6.762 -15.552 -35.354 684 HG22 VAL 82 2HG2 VAL 82 -7.647 -15.252 -36.852 685 HG23 VAL 82 3HG2 VAL 82 -8.421 -14.958 -35.294 686 H SER 83 H SER 83 -3.130 -12.686 -35.916 687 HA SER 83 HA SER 83 -3.479 -9.858 -35.549 688 HB2 SER 83 2HB SER 83 -0.916 -11.505 -35.725 689 HB3 SER 83 3HB SER 83 -1.027 -9.823 -35.193 690 HG SER 83 HG SER 83 -2.754 -11.483 -33.858 691 H LYS 84 H LYS 84 -2.571 -8.192 -36.856 692 HA LYS 84 HA LYS 84 -3.215 -8.530 -39.610 693 HB2 LYS 84 2HB LYS 84 -2.085 -6.131 -38.096 694 HB3 LYS 84 3HB LYS 84 -2.435 -6.082 -39.820 695 HG2 LYS 84 2HG LYS 84 -4.283 -5.068 -38.681 696 HG3 LYS 84 3HG LYS 84 -4.836 -6.626 -39.299 697 HD2 LYS 84 2HD LYS 84 -4.494 -7.597 -37.016 698 HD3 LYS 84 3HD LYS 84 -4.047 -5.997 -36.424 699 HE2 LYS 84 2HE LYS 84 -6.739 -6.764 -37.604 700 HE3 LYS 84 3HE LYS 84 -6.389 -6.564 -35.887 701 HZ1 LYS 84 1HZ LYS 84 -6.278 -4.441 -37.957 702 HZ2 LYS 84 2HZ LYS 84 -5.858 -4.230 -36.332 703 HZ3 LYS 84 3HZ LYS 84 -7.446 -4.615 -36.751 704 H ARG 85 H ARG 85 -1.927 -9.513 -41.034 705 HA ARG 85 HA ARG 85 0.866 -9.911 -40.554 706 HB2 ARG 85 2HB ARG 85 -0.572 -11.636 -41.668 707 HB3 ARG 85 3HB ARG 85 -0.689 -10.600 -43.087 708 HG2 ARG 85 2HG ARG 85 1.015 -12.308 -43.473 709 HG3 ARG 85 3HG ARG 85 1.798 -10.729 -43.355 710 HD2 ARG 85 2HD ARG 85 2.290 -11.262 -40.917 711 HD3 ARG 85 3HD ARG 85 1.693 -12.896 -41.226 712 HE ARG 85 HE ARG 85 3.759 -12.116 -43.049 713 HH11 ARG 85 1HH1 ARG 85 3.199 -13.376 -39.807 714 HH12 ARG 85 2HH1 ARG 85 4.767 -14.120 -39.697 715 HH21 ARG 85 1HH2 ARG 85 5.825 -13.065 -42.872 716 HH22 ARG 85 2HH2 ARG 85 6.250 -13.943 -41.428 717 H ARG 86 H ARG 86 2.000 -8.068 -40.630 718 HA ARG 86 HA ARG 86 1.874 -6.073 -42.672 719 HB2 ARG 86 2HB ARG 86 2.715 -5.687 -40.327 720 HB3 ARG 86 3HB ARG 86 4.122 -6.683 -40.690 721 HG2 ARG 86 2HG ARG 86 4.799 -5.053 -42.445 722 HG3 ARG 86 3HG ARG 86 3.400 -4.057 -42.031 723 HD2 ARG 86 2HD ARG 86 4.287 -3.802 -39.728 724 HD3 ARG 86 3HD ARG 86 5.710 -4.747 -40.182 725 HE ARG 86 HE ARG 86 5.021 -2.028 -41.087 726 HH11 ARG 86 1HH1 ARG 86 7.409 -4.608 -40.940 727 HH12 ARG 86 2HH1 ARG 86 8.700 -3.602 -41.514 728 HH21 ARG 86 1HH2 ARG 86 6.700 -0.743 -41.871 729 HH22 ARG 86 2HH2 ARG 86 8.289 -1.418 -42.036 730 H ALA 87 H ALA 87 2.698 -6.252 -44.694 731 HA ALA 87 HA ALA 87 4.300 -8.513 -45.517 732 HB1 ALA 87 1HB ALA 87 4.081 -7.602 -47.790 733 HB2 ALA 87 2HB ALA 87 3.369 -6.120 -47.150 734 HB3 ALA 87 3HB ALA 87 2.509 -7.654 -46.992 735 H ALA 88 H ALA 88 6.037 -7.979 -44.035 736 HA ALA 88 HA ALA 88 7.835 -5.773 -44.768 737 HB1 ALA 88 1HB ALA 88 9.046 -6.368 -42.714 738 HB2 ALA 88 2HB ALA 88 7.990 -7.761 -42.463 739 HB3 ALA 88 3HB ALA 88 7.332 -6.123 -42.376
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