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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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12871 |
1tq1 ![]() ![]() |
6240 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 11 HN ALA 11 -14.989 17.548 10.463 2 HA ALA 11 HA ALA 11 -14.082 16.720 7.842 3 1HB ALA 11 HB1 ALA 11 -11.989 17.544 9.754 4 2HB ALA 11 HB2 ALA 11 -12.593 18.508 8.317 5 3HB ALA 11 HB3 ALA 11 -12.670 18.098 10.109 6 H GLU 12 HN GLU 12 -14.675 14.491 8.114 7 HA GLU 12 HA GLU 12 -12.724 12.885 9.707 8 1HB GLU 12 HB2 GLU 12 -15.373 12.062 8.489 9 2HB GLU 12 HB1 GLU 12 -14.286 10.996 9.374 10 1HG GLU 12 HG2 GLU 12 -15.540 13.505 10.526 11 2HG GLU 12 HG1 GLU 12 -16.144 11.869 10.799 12 H GLU 13 HN GLU 13 -11.510 11.342 8.696 13 HA GLU 13 HA GLU 13 -11.707 11.038 5.746 14 1HB GLU 13 HB2 GLU 13 -9.233 12.078 7.172 15 2HB GLU 13 HB1 GLU 13 -9.276 11.552 5.488 16 1HG GLU 13 HG2 GLU 13 -11.030 13.261 5.031 17 2HG GLU 13 HG1 GLU 13 -10.871 13.829 6.693 18 H SER 14 HN SER 14 -11.967 9.409 8.212 19 HA SER 14 HA SER 14 -9.705 7.519 8.136 20 1HB SER 14 HB2 SER 14 -10.748 6.414 9.961 21 2HB SER 14 HB1 SER 14 -11.098 8.121 10.227 22 HG SER 14 HG SER 14 -13.087 7.444 10.256 23 H ARG 15 HN ARG 15 -12.224 8.145 6.173 24 HA ARG 15 HA ARG 15 -12.229 5.362 5.078 25 1HB ARG 15 HB2 ARG 15 -14.707 7.023 5.586 26 2HB ARG 15 HB1 ARG 15 -14.669 5.538 4.631 27 1HG ARG 15 HG2 ARG 15 -13.770 4.375 6.648 28 2HG ARG 15 HG1 ARG 15 -13.933 5.880 7.553 29 1HD ARG 15 HD2 ARG 15 -16.301 5.871 6.953 30 2HD ARG 15 HD1 ARG 15 -16.093 4.151 6.418 31 HE ARG 15 HE ARG 15 -15.041 3.681 8.891 32 1HH1 ARG 15 HH21 ARG 15 -15.998 6.097 9.243 33 2HH1 ARG 15 HH22 ARG 15 -17.964 6.280 8.986 34 1HH2 ARG 15 HH11 ARG 15 -15.640 3.565 10.258 35 2HH2 ARG 15 HH12 ARG 15 -17.611 3.067 10.415 36 H VAL 16 HN VAL 16 -11.049 5.861 3.345 37 HA VAL 16 HA VAL 16 -12.348 7.577 1.307 38 HB VAL 16 HB VAL 16 -9.423 7.870 2.015 39 1HG1 VAL 16 HG11 VAL 16 -10.174 8.809 -0.322 40 2HG1 VAL 16 HG12 VAL 16 -11.282 9.983 0.558 41 3HG1 VAL 16 HG13 VAL 16 -9.584 9.418 0.118 42 1HG2 VAL 16 HG21 VAL 16 -10.205 9.622 3.563 43 2HG2 VAL 16 HG22 VAL 16 -11.806 9.860 2.701 44 3HG2 VAL 16 HG23 VAL 16 -10.762 8.920 3.896 45 HA PRO 17 HA PRO 17 -10.558 3.961 -0.707 46 1HB PRO 17 HB2 PRO 17 -12.732 3.436 -2.333 47 2HB PRO 17 HB1 PRO 17 -12.572 2.870 -0.662 48 1HG PRO 17 HG2 PRO 17 -14.359 4.870 -1.760 49 2HG PRO 17 HG1 PRO 17 -14.421 4.022 -0.207 50 1HD PRO 17 HD2 PRO 17 -13.481 6.713 -0.745 51 2HD PRO 17 HD1 PRO 17 -13.668 5.900 0.823 52 H SER 18 HN SER 18 -9.201 4.281 -2.301 53 HA SER 18 HA SER 18 -9.965 5.927 -4.673 54 1HB SER 18 HB2 SER 18 -7.964 7.212 -4.608 55 2HB SER 18 HB1 SER 18 -8.611 7.273 -2.970 56 HG SER 18 HG SER 18 -7.058 5.114 -3.269 57 H SER 19 HN SER 19 -8.837 5.390 -6.544 58 HA SER 19 HA SER 19 -7.372 2.767 -6.441 59 1HB SER 19 HB2 SER 19 -9.007 3.931 -8.709 60 2HB SER 19 HB1 SER 19 -8.222 2.355 -8.697 61 HG SER 19 HG SER 19 -10.607 2.732 -8.030 62 H VAL 20 HN VAL 20 -5.522 2.588 -7.583 63 HA VAL 20 HA VAL 20 -4.565 4.730 -9.323 64 HB VAL 20 HB VAL 20 -3.423 5.898 -7.803 65 1HG1 VAL 20 HG11 VAL 20 -3.825 4.575 -5.245 66 2HG1 VAL 20 HG12 VAL 20 -5.102 5.659 -6.039 67 3HG1 VAL 20 HG13 VAL 20 -4.456 3.994 -5.681 68 1HG2 VAL 20 HG21 VAL 20 -2.013 3.340 -6.994 69 2HG2 VAL 20 HG22 VAL 20 -1.356 4.657 -8.078 70 3HG2 VAL 20 HG23 VAL 20 -1.759 4.035 -6.386 71 H SER 21 HN SER 21 -2.051 4.169 -9.718 72 HA SER 21 HA SER 21 -1.937 1.191 -10.139 73 1HB SER 21 HB2 SER 21 -0.397 1.801 -12.066 74 2HB SER 21 HB1 SER 21 -2.078 2.284 -12.277 75 HG SER 21 HG SER 21 0.180 3.839 -11.635 76 H VAL 22 HN VAL 22 -0.002 0.179 -9.769 77 HA VAL 22 HA VAL 22 1.511 0.915 -7.556 78 HB VAL 22 HB VAL 22 1.439 -1.342 -8.767 79 1HG1 VAL 22 HG11 VAL 22 3.602 -0.987 -10.624 80 2HG1 VAL 22 HG12 VAL 22 1.842 -0.882 -11.154 81 3HG1 VAL 22 HG13 VAL 22 3.413 -0.061 -10.724 82 1HG2 VAL 22 HG21 VAL 22 3.805 -1.762 -7.901 83 2HG2 VAL 22 HG22 VAL 22 4.216 0.021 -7.981 84 3HG2 VAL 22 HG23 VAL 22 3.310 -1.364 -7.193 85 H THR 23 HN THR 23 1.641 2.163 -10.742 86 HA THR 23 HA THR 23 4.328 3.185 -10.749 87 HB THR 23 HB THR 23 3.750 4.127 -12.774 88 HG1 THR 23 HG1 THR 23 2.721 5.814 -11.824 89 1HG2 THR 23 HG21 THR 23 1.987 1.899 -12.489 90 2HG2 THR 23 HG22 THR 23 0.976 3.282 -13.241 91 3HG2 THR 23 HG23 THR 23 2.408 2.181 -13.302 92 H VAL 24 HN VAL 24 1.218 4.839 -10.027 93 HA VAL 24 HA VAL 24 2.597 7.199 -8.998 94 HB VAL 24 HB VAL 24 -0.207 6.548 -8.101 95 1HG1 VAL 24 HG11 VAL 24 0.259 9.176 -9.287 96 2HG1 VAL 24 HG12 VAL 24 0.204 8.822 -7.474 97 3HG1 VAL 24 HG13 VAL 24 1.165 9.090 -9.009 98 1HG2 VAL 24 HG21 VAL 24 0.061 7.413 -10.978 99 2HG2 VAL 24 HG22 VAL 24 -0.133 5.634 -10.563 100 3HG2 VAL 24 HG23 VAL 24 -0.842 7.335 -10.662 101 H ALA 25 HN ALA 25 1.123 4.347 -7.544 102 HA ALA 25 HA ALA 25 1.372 5.109 -4.796 103 1HB ALA 25 HB1 ALA 25 1.097 2.632 -4.529 104 2HB ALA 25 HB2 ALA 25 0.330 2.842 -6.166 105 3HB ALA 25 HB3 ALA 25 1.733 2.235 -5.119 106 H HIS 26 HN HIS 26 3.676 3.797 -7.119 107 HA HIS 26 HA HIS 26 5.803 3.077 -5.392 108 1HB HIS 26 HB2 HIS 26 5.794 2.698 -7.863 109 2HB HIS 26 HB1 HIS 26 5.989 4.428 -8.115 110 HD1 HIS 26 HD1 HIS 26 7.839 1.609 -6.294 111 HD2 HIS 26 HD2 HIS 26 8.620 5.134 -8.375 112 HE1 HIS 26 HE1 HIS 26 10.362 1.795 -6.486 113 HE2 HIS 26 HE2 HIS 26 10.862 3.910 -7.766 114 H ASP 27 HN ASP 27 5.003 6.250 -6.799 115 HA ASP 27 HA ASP 27 7.107 7.801 -5.624 116 1HB ASP 27 HB2 ASP 27 5.373 8.677 -7.256 117 2HB ASP 27 HB1 ASP 27 4.217 8.673 -5.931 118 H LEU 28 HN LEU 28 3.935 6.881 -4.375 119 HA LEU 28 HA LEU 28 4.253 8.239 -1.841 120 1HB LEU 28 HB2 LEU 28 2.353 6.193 -2.969 121 2HB LEU 28 HB1 LEU 28 2.328 6.533 -1.240 122 HG LEU 28 HG LEU 28 2.050 8.991 -1.824 123 1HD1 LEU 28 HD11 LEU 28 2.676 9.097 -4.240 124 2HD1 LEU 28 HD12 LEU 28 1.612 7.684 -4.739 125 3HD1 LEU 28 HD13 LEU 28 1.811 9.472 -4.315 126 1HD2 LEU 28 HD21 LEU 28 -0.133 7.082 -2.733 127 2HD2 LEU 28 HD22 LEU 28 -0.125 8.080 -1.194 128 3HD2 LEU 28 HD23 LEU 28 -0.418 7.949 -3.005 129 H LEU 29 HN LEU 29 4.900 4.995 -3.024 130 HA LEU 29 HA LEU 29 5.509 3.663 -0.563 131 1HB LEU 29 HB2 LEU 29 5.331 2.645 -2.919 132 2HB LEU 29 HB1 LEU 29 6.925 3.298 -3.257 133 HG LEU 29 HG LEU 29 7.699 2.008 -1.191 134 1HD1 LEU 29 HD11 LEU 29 5.497 1.243 -0.170 135 2HD1 LEU 29 HD12 LEU 29 5.122 0.270 -1.698 136 3HD1 LEU 29 HD13 LEU 29 6.098 0.502 -0.180 137 1HD2 LEU 29 HD21 LEU 29 7.909 -0.092 -2.695 138 2HD2 LEU 29 HD22 LEU 29 6.730 0.680 -3.887 139 3HD2 LEU 29 HD23 LEU 29 8.389 0.629 -3.102 140 H LEU 30 HN LEU 30 7.460 5.761 -2.678 141 HA LEU 30 HA LEU 30 9.969 5.512 -1.257 142 1HB LEU 30 HB2 LEU 30 8.762 7.592 -3.104 143 2HB LEU 30 HB1 LEU 30 10.279 7.945 -2.283 144 HG LEU 30 HG LEU 30 11.198 5.844 -3.255 145 1HD1 LEU 30 HD11 LEU 30 9.000 4.642 -3.972 146 2HD1 LEU 30 HD12 LEU 30 8.918 5.821 -5.378 147 3HD1 LEU 30 HD13 LEU 30 9.745 4.424 -4.535 148 1HD2 LEU 30 HD21 LEU 30 10.873 8.244 -4.752 149 2HD2 LEU 30 HD22 LEU 30 11.999 6.892 -5.272 150 3HD2 LEU 30 HD23 LEU 30 10.402 7.784 -5.448 151 H ALA 31 HN ALA 31 7.018 7.260 -0.680 152 HA ALA 31 HA ALA 31 8.049 9.191 1.197 153 1HB ALA 31 HB1 ALA 31 5.335 8.911 1.832 154 2HB ALA 31 HB2 ALA 31 5.740 9.590 0.155 155 3HB ALA 31 HB3 ALA 31 5.212 8.203 1.212 156 H GLY 32 HN GLY 32 7.362 5.843 1.347 157 1HA GLY 32 HA2 GLY 32 8.143 4.351 3.052 158 2HA GLY 32 HA1 GLY 32 8.363 5.735 4.127 159 H HIS 33 HN HIS 33 5.547 4.579 2.312 160 HA HIS 33 HA HIS 33 4.010 4.641 4.885 161 1HB HIS 33 HB2 HIS 33 3.127 4.905 1.999 162 2HB HIS 33 HB1 HIS 33 2.001 4.733 3.345 163 HD1 HIS 33 HD1 HIS 33 3.455 6.588 5.413 164 HD2 HIS 33 HD2 HIS 33 2.800 7.574 1.417 165 HE1 HIS 33 HE1 HIS 33 3.564 9.120 5.259 166 HE2 HIS 33 HE2 HIS 33 3.196 9.740 2.843 167 H ARG 34 HN ARG 34 2.693 2.909 5.398 168 HA ARG 34 HA ARG 34 3.670 0.288 4.847 169 1HB ARG 34 HB2 ARG 34 0.936 1.108 5.892 170 2HB ARG 34 HB1 ARG 34 1.609 -0.518 5.952 171 1HG ARG 34 HG2 ARG 34 3.558 0.397 7.319 172 2HG ARG 34 HG1 ARG 34 2.705 1.937 7.360 173 1HD ARG 34 HD2 ARG 34 1.698 -0.648 8.579 174 2HD ARG 34 HD1 ARG 34 2.430 0.632 9.463 175 HE ARG 34 HE ARG 34 -0.191 1.621 8.072 176 1HH1 ARG 34 HH21 ARG 34 -0.426 -1.014 8.452 177 2HH1 ARG 34 HH22 ARG 34 -0.234 -1.594 10.349 178 1HH2 ARG 34 HH11 ARG 34 -1.620 1.505 8.646 179 2HH2 ARG 34 HH12 ARG 34 -1.851 1.501 10.673 180 H TYR 35 HN TYR 35 3.243 -1.133 3.332 181 HA TYR 35 HA TYR 35 1.274 -0.422 1.187 182 1HB TYR 35 HB2 TYR 35 3.749 -0.522 0.648 183 2HB TYR 35 HB1 TYR 35 3.664 -2.255 0.953 184 HD1 TYR 35 HD1 TYR 35 2.815 -3.752 -0.707 185 HD2 TYR 35 HD2 TYR 35 2.245 0.496 -1.193 186 HE1 TYR 35 HE1 TYR 35 1.921 -4.131 -2.973 187 HE2 TYR 35 HE2 TYR 35 1.358 0.105 -3.463 188 HH TYR 35 HH TYR 35 1.594 -1.740 -5.267 189 H LEU 36 HN LEU 36 -0.524 -1.669 1.443 190 HA LEU 36 HA LEU 36 -0.275 -4.444 2.529 191 1HB LEU 36 HB2 LEU 36 -1.921 -2.644 3.400 192 2HB LEU 36 HB1 LEU 36 -2.832 -2.912 1.922 193 HG LEU 36 HG LEU 36 -3.953 -4.425 3.243 194 1HD1 LEU 36 HD11 LEU 36 -2.387 -6.666 2.969 195 2HD1 LEU 36 HD12 LEU 36 -2.991 -5.908 1.426 196 3HD1 LEU 36 HD13 LEU 36 -1.603 -6.295 2.588 197 1HD2 LEU 36 HD21 LEU 36 -2.606 -5.511 5.241 198 2HD2 LEU 36 HD22 LEU 36 -1.277 -4.320 4.904 199 3HD2 LEU 36 HD23 LEU 36 -2.991 -4.676 5.497 200 H ASP 37 HN ASP 37 -0.465 -6.117 1.205 201 HA ASP 37 HA ASP 37 -1.698 -5.819 -1.517 202 1HB ASP 37 HB2 ASP 37 0.873 -5.648 -1.552 203 2HB ASP 37 HB1 ASP 37 0.880 -7.325 -1.017 204 H VAL 38 HN VAL 38 -2.758 -7.660 -2.149 205 HA VAL 38 HA VAL 38 -2.526 -10.064 -0.381 206 HB VAL 38 HB VAL 38 -4.939 -10.382 -0.302 207 1HG1 VAL 38 HG11 VAL 38 -4.428 -7.425 0.363 208 2HG1 VAL 38 HG12 VAL 38 -5.427 -8.648 1.304 209 3HG1 VAL 38 HG13 VAL 38 -3.795 -7.976 0.825 210 1HG2 VAL 38 HG21 VAL 38 -5.175 -8.134 -2.375 211 2HG2 VAL 38 HG22 VAL 38 -6.078 -9.731 -2.341 212 3HG2 VAL 38 HG23 VAL 38 -5.862 -8.004 -1.740 213 H ARG 39 HN ARG 39 -1.380 -11.154 -1.850 214 HA ARG 39 HA ARG 39 -2.309 -11.450 -4.661 215 1HB ARG 39 HB2 ARG 39 0.152 -11.293 -4.105 216 2HB ARG 39 HB1 ARG 39 0.001 -12.825 -3.237 217 1HG ARG 39 HG2 ARG 39 -0.813 -13.913 -5.325 218 2HG ARG 39 HG1 ARG 39 -0.639 -12.388 -6.181 219 1HD ARG 39 HD2 ARG 39 1.748 -12.359 -5.727 220 2HD ARG 39 HD1 ARG 39 1.645 -13.962 -4.943 221 HE ARG 39 HE ARG 39 2.460 -14.143 -7.544 222 1HH1 ARG 39 HH21 ARG 39 0.010 -13.152 -8.013 223 2HH1 ARG 39 HH22 ARG 39 -1.489 -14.305 -7.401 224 1HH2 ARG 39 HH11 ARG 39 1.999 -14.946 -8.752 225 2HH2 ARG 39 HH12 ARG 39 0.913 -16.646 -8.446 226 H THR 40 HN THR 40 -1.791 -13.423 -1.751 227 HA THR 40 HA THR 40 -4.137 -15.021 -2.136 228 HB THR 40 HB THR 40 -1.566 -15.993 -3.394 229 HG1 THR 40 HG1 THR 40 -2.979 -14.981 -4.739 230 1HG2 THR 40 HG21 THR 40 -2.722 -17.862 -1.895 231 2HG2 THR 40 HG22 THR 40 -4.022 -17.897 -3.195 232 3HG2 THR 40 HG23 THR 40 -2.283 -18.215 -2.670 233 HA PRO 41 HA PRO 41 -3.307 -15.939 2.086 234 1HB PRO 41 HB2 PRO 41 -4.011 -18.772 1.369 235 2HB PRO 41 HB1 PRO 41 -4.666 -17.725 2.639 236 1HG PRO 41 HG2 PRO 41 -5.927 -18.290 0.284 237 2HG PRO 41 HG1 PRO 41 -6.248 -16.878 1.303 238 1HD PRO 41 HD2 PRO 41 -5.048 -16.950 -1.339 239 2HD PRO 41 HD1 PRO 41 -5.508 -15.534 -0.371 240 H GLU 42 HN GLU 42 -2.152 -18.201 -0.376 241 HA GLU 42 HA GLU 42 -0.085 -19.463 1.166 242 1HB GLU 42 HB2 GLU 42 -0.232 -18.904 -1.820 243 2HB GLU 42 HB1 GLU 42 0.929 -19.989 -1.049 244 1HG GLU 42 HG2 GLU 42 -0.958 -21.330 -0.146 245 2HG GLU 42 HG1 GLU 42 -2.085 -20.274 -0.998 246 H GLU 43 HN GLU 43 -0.275 -16.393 -0.521 247 HA GLU 43 HA GLU 43 2.487 -15.721 -0.698 248 1HB GLU 43 HB2 GLU 43 0.501 -14.376 -1.587 249 2HB GLU 43 HB1 GLU 43 0.294 -13.763 0.055 250 1HG GLU 43 HG2 GLU 43 2.649 -12.943 0.012 251 2HG GLU 43 HG1 GLU 43 2.775 -13.476 -1.665 252 H PHE 44 HN PHE 44 0.290 -15.714 1.995 253 HA PHE 44 HA PHE 44 1.904 -14.273 3.919 254 1HB PHE 44 HB2 PHE 44 -0.539 -14.762 4.112 255 2HB PHE 44 HB1 PHE 44 -0.148 -16.458 4.356 256 HD1 PHE 44 HD1 PHE 44 0.593 -17.287 6.457 257 HD2 PHE 44 HD2 PHE 44 0.190 -13.039 5.826 258 HE1 PHE 44 HE1 PHE 44 0.930 -16.901 8.875 259 HE2 PHE 44 HE2 PHE 44 0.519 -12.656 8.249 260 HZ PHE 44 HZ PHE 44 0.890 -14.584 9.779 261 H SER 45 HN SER 45 1.447 -17.707 3.169 262 HA SER 45 HA SER 45 3.150 -18.845 5.142 263 1HB SER 45 HB2 SER 45 1.661 -20.154 3.597 264 2HB SER 45 HB1 SER 45 2.796 -19.827 2.290 265 HG SER 45 HG SER 45 4.224 -20.701 4.291 266 H GLN 46 HN GLN 46 3.877 -17.231 2.139 267 HA GLN 46 HA GLN 46 6.661 -18.062 2.003 268 1HB GLN 46 HB2 GLN 46 5.330 -15.604 0.806 269 2HB GLN 46 HB1 GLN 46 6.891 -16.271 0.333 270 1HG GLN 46 HG2 GLN 46 4.213 -17.679 0.087 271 2HG GLN 46 HG1 GLN 46 5.133 -16.964 -1.233 272 1HE2 GLN 46 HE21 GLN 46 4.393 -19.882 -0.262 273 2HE2 GLN 46 HE22 GLN 46 5.846 -20.717 -0.493 274 H GLY 47 HN GLY 47 4.924 -15.388 3.454 275 1HA GLY 47 HA2 GLY 47 5.904 -14.597 5.656 276 2HA GLY 47 HA1 GLY 47 7.449 -14.524 4.813 277 H HIS 48 HN HIS 48 7.733 -12.370 5.190 278 HA HIS 48 HA HIS 48 5.738 -10.506 4.004 279 1HB HIS 48 HB2 HIS 48 8.082 -9.913 5.835 280 2HB HIS 48 HB1 HIS 48 6.903 -8.736 5.272 281 HD1 HIS 48 HD1 HIS 48 4.296 -9.458 5.947 282 HD2 HIS 48 HD2 HIS 48 7.395 -10.973 8.286 283 HE1 HIS 48 HE1 HIS 48 3.258 -10.163 8.147 284 HE2 HIS 48 HE2 HIS 48 5.107 -11.110 9.576 285 H ALA 49 HN ALA 49 7.516 -8.404 3.575 286 HA ALA 49 HA ALA 49 9.401 -9.398 1.502 287 1HB ALA 49 HB1 ALA 49 8.010 -8.422 -0.263 288 2HB ALA 49 HB2 ALA 49 6.673 -8.132 0.961 289 3HB ALA 49 HB3 ALA 49 8.115 -7.517 0.003 290 H CYS 50 HN CYS 50 10.662 -7.559 0.648 291 HA CYS 50 HA CYS 50 11.593 -5.839 2.850 292 1HB CYS 50 HB2 CYS 50 13.088 -7.139 1.133 293 2HB CYS 50 HB1 CYS 50 12.737 -5.756 0.071 294 HG CYS 50 HG CYS 50 14.269 -4.414 1.427 295 H GLY 51 HN GLY 51 10.319 -4.199 3.178 296 1HA GLY 51 HA2 GLY 51 9.498 -2.013 2.835 297 2HA GLY 51 HA1 GLY 51 10.189 -2.047 1.206 298 H ALA 52 HN ALA 52 8.121 -4.596 2.304 299 HA ALA 52 HA ALA 52 5.701 -3.408 1.063 300 1HB ALA 52 HB1 ALA 52 5.734 -5.374 -0.652 301 2HB ALA 52 HB2 ALA 52 7.252 -4.391 -0.897 302 3HB ALA 52 HB3 ALA 52 6.431 -5.946 -0.331 303 H ILE 53 HN ILE 53 4.098 -4.042 2.324 304 HA ILE 53 HA ILE 53 4.367 -6.602 3.839 305 HB ILE 53 HB ILE 53 2.763 -4.068 4.280 306 1HG1 ILE 53 HG12 ILE 53 4.083 -4.205 6.468 307 2HG1 ILE 53 HG11 ILE 53 5.034 -5.476 5.679 308 1HG2 ILE 53 HG21 ILE 53 1.430 -6.147 5.097 309 2HG2 ILE 53 HG22 ILE 53 2.776 -6.496 6.280 310 3HG2 ILE 53 HG23 ILE 53 1.357 -5.447 5.737 311 1HD1 ILE 53 HD11 ILE 53 5.969 -3.775 4.172 312 2HD1 ILE 53 HD12 ILE 53 4.552 -2.625 4.375 313 3HD1 ILE 53 HD13 ILE 53 6.134 -3.313 4.995 314 H ASN 54 HN ASN 54 3.522 -8.147 2.606 315 HA ASN 54 HA ASN 54 0.897 -7.689 1.237 316 1HB ASN 54 HB2 ASN 54 2.782 -9.992 0.777 317 2HB ASN 54 HB1 ASN 54 1.462 -9.455 -0.257 318 1HD2 ASN 54 HD21 ASN 54 2.404 -6.582 0.349 319 2HD2 ASN 54 HD22 ASN 54 3.726 -6.353 -0.681 320 H VAL 55 HN VAL 55 -0.766 -8.460 2.289 321 HA VAL 55 HA VAL 55 -0.524 -11.106 3.603 322 HB VAL 55 HB VAL 55 -0.778 -10.320 5.711 323 1HG1 VAL 55 HG11 VAL 55 0.757 -8.420 4.987 324 2HG1 VAL 55 HG12 VAL 55 -0.644 -7.363 4.495 325 3HG1 VAL 55 HG13 VAL 55 0.404 -8.130 5.814 326 1HG2 VAL 55 HG21 VAL 55 -2.953 -9.290 6.134 327 2HG2 VAL 55 HG22 VAL 55 -2.804 -8.090 4.762 328 3HG2 VAL 55 HG23 VAL 55 -3.236 -9.768 5.353 329 HA PRO 56 HA PRO 56 -4.492 -11.602 1.875 330 1HB PRO 56 HB2 PRO 56 -5.496 -13.599 3.505 331 2HB PRO 56 HB1 PRO 56 -4.240 -13.840 2.278 332 1HG PRO 56 HG2 PRO 56 -4.021 -13.900 5.165 333 2HG PRO 56 HG1 PRO 56 -2.897 -14.486 3.928 334 1HD PRO 56 HD2 PRO 56 -2.758 -12.025 5.456 335 2HD PRO 56 HD1 PRO 56 -1.572 -12.679 4.305 336 H TYR 57 HN TYR 57 -4.921 -9.385 2.813 337 HA TYR 57 HA TYR 57 -6.447 -7.874 3.838 338 1HB TYR 57 HB2 TYR 57 -8.105 -10.395 3.925 339 2HB TYR 57 HB1 TYR 57 -8.699 -8.743 4.018 340 HD1 TYR 57 HD1 TYR 57 -8.081 -11.468 1.792 341 HD2 TYR 57 HD2 TYR 57 -8.002 -7.167 2.033 342 HE1 TYR 57 HE1 TYR 57 -8.252 -11.315 -0.666 343 HE2 TYR 57 HE2 TYR 57 -8.172 -7.021 -0.418 344 HH TYR 57 HH TYR 57 -9.178 -9.423 -2.347 345 H MET 58 HN MET 58 -7.480 -10.777 5.474 346 HA MET 58 HA MET 58 -6.719 -9.504 8.077 347 1HB MET 58 HB2 MET 58 -8.709 -11.729 7.674 348 2HB MET 58 HB1 MET 58 -8.504 -10.690 9.083 349 1HG MET 58 HG2 MET 58 -9.444 -9.782 6.344 350 2HG MET 58 HG1 MET 58 -10.460 -9.982 7.779 351 1HE MET 58 HE1 MET 58 -9.906 -8.246 10.289 352 2HE MET 58 HE2 MET 58 -10.930 -7.050 9.313 353 3HE MET 58 HE3 MET 58 -10.539 -8.793 9.806 354 H ASN 59 HN ASN 59 -5.538 -10.640 9.519 355 HA ASN 59 HA ASN 59 -4.801 -13.473 8.999 356 1HB ASN 59 HB2 ASN 59 -3.132 -12.040 7.765 357 2HB ASN 59 HB1 ASN 59 -2.712 -11.314 9.316 358 1HD2 ASN 59 HD21 ASN 59 -2.972 -14.532 7.786 359 2HD2 ASN 59 HD22 ASN 59 -1.689 -15.219 8.648 360 H ARG 60 HN ARG 60 -4.610 -14.521 10.895 361 HA ARG 60 HA ARG 60 -5.079 -13.063 13.409 362 1HB ARG 60 HB2 ARG 60 -6.059 -15.303 13.033 363 2HB ARG 60 HB1 ARG 60 -4.436 -15.988 12.949 364 1HG ARG 60 HG2 ARG 60 -3.952 -15.271 15.268 365 2HG ARG 60 HG1 ARG 60 -5.548 -14.530 15.372 366 1HD ARG 60 HD2 ARG 60 -6.634 -16.802 15.071 367 2HD ARG 60 HD1 ARG 60 -5.038 -17.534 14.933 368 HE ARG 60 HE ARG 60 -6.316 -17.428 17.571 369 1HH1 ARG 60 HH21 ARG 60 -3.832 -17.992 16.864 370 2HH1 ARG 60 HH22 ARG 60 -2.590 -16.440 16.820 371 1HH2 ARG 60 HH11 ARG 60 -5.592 -17.430 18.917 372 2HH2 ARG 60 HH12 ARG 60 -4.707 -15.704 19.547 373 H GLY 61 HN GLY 61 -3.576 -12.428 14.807 374 1HA GLY 61 HA2 GLY 61 -1.033 -13.686 15.223 375 2HA GLY 61 HA1 GLY 61 -0.821 -12.280 14.175 376 H ALA 62 HN ALA 62 0.463 -11.749 16.197 377 HA ALA 62 HA ALA 62 -0.828 -10.996 18.643 378 1HB ALA 62 HB1 ALA 62 1.566 -10.696 18.948 379 2HB ALA 62 HB2 ALA 62 1.893 -10.323 17.190 380 3HB ALA 62 HB3 ALA 62 1.451 -9.757 18.890 381 H SER 63 HN SER 63 -1.287 -9.875 15.613 382 HA SER 63 HA SER 63 -1.403 -7.012 15.934 383 1HB SER 63 HB2 SER 63 -1.489 -7.944 13.695 384 2HB SER 63 HB1 SER 63 -2.919 -8.893 14.096 385 HG SER 63 HG SER 63 -3.680 -6.574 14.695 386 H GLY 64 HN GLY 64 -3.106 -9.503 17.377 387 1HA GLY 64 HA2 GLY 64 -4.673 -8.974 19.212 388 2HA GLY 64 HA1 GLY 64 -5.263 -7.614 18.250 389 H MET 65 HN MET 65 -4.606 -10.722 16.878 390 HA MET 65 HA MET 65 -6.003 -12.270 15.754 391 1HB MET 65 HB2 MET 65 -7.880 -11.480 17.984 392 2HB MET 65 HB1 MET 65 -8.067 -12.878 16.927 393 1HG MET 65 HG2 MET 65 -5.848 -13.707 17.695 394 2HG MET 65 HG1 MET 65 -5.782 -12.366 18.847 395 1HE MET 65 HE1 MET 65 -7.659 -11.713 20.435 396 2HE MET 65 HE2 MET 65 -9.343 -12.426 20.139 397 3HE MET 65 HE3 MET 65 -7.846 -12.260 21.212 398 H SER 66 HN SER 66 -6.746 -11.761 13.846 399 HA SER 66 HA SER 66 -9.282 -10.350 13.505 400 1HB SER 66 HB2 SER 66 -7.340 -8.579 13.700 401 2HB SER 66 HB1 SER 66 -6.993 -9.073 12.045 402 HG SER 66 HG SER 66 -9.567 -8.332 12.953 403 H LYS 67 HN LYS 67 -9.990 -12.109 12.396 404 HA LYS 67 HA LYS 67 -8.609 -12.678 9.803 405 1HB LYS 67 HB2 LYS 67 -8.257 -14.500 11.514 406 2HB LYS 67 HB1 LYS 67 -10.000 -14.767 11.509 407 1HG LYS 67 HG2 LYS 67 -9.317 -16.319 9.921 408 2HG LYS 67 HG1 LYS 67 -9.626 -14.921 8.888 409 1HD LYS 67 HD2 LYS 67 -7.250 -14.315 8.998 410 2HD LYS 67 HD1 LYS 67 -6.932 -15.711 10.031 411 1HE LYS 67 HE2 LYS 67 -7.826 -15.680 7.132 412 2HE LYS 67 HE1 LYS 67 -6.348 -16.366 7.820 413 1HZ LYS 67 HZ1 LYS 67 -9.015 -17.551 8.276 414 2HZ LYS 67 HZ2 LYS 67 -7.567 -18.391 7.674 415 3HZ LYS 67 HZ3 LYS 67 -8.489 -17.706 9.036 416 H ASN 68 HN ASN 68 -9.872 -12.202 8.200 417 HA ASN 68 HA ASN 68 -12.425 -11.166 8.136 418 1HB ASN 68 HB2 ASN 68 -10.800 -11.606 6.198 419 2HB ASN 68 HB1 ASN 68 -11.591 -13.175 6.065 420 1HD2 ASN 68 HD21 ASN 68 -13.386 -13.218 4.782 421 2HD2 ASN 68 HD22 ASN 68 -14.309 -11.875 4.329 422 H THR 69 HN THR 69 -13.780 -12.076 9.605 423 HA THR 69 HA THR 69 -15.238 -14.435 8.669 424 HB THR 69 HB THR 69 -13.998 -14.526 11.406 425 HG1 THR 69 HG1 THR 69 -13.063 -16.026 9.324 426 1HG2 THR 69 HG21 THR 69 -15.321 -16.617 9.761 427 2HG2 THR 69 HG22 THR 69 -14.539 -17.016 11.330 428 3HG2 THR 69 HG23 THR 69 -15.967 -16.288 10.369 429 H ASP 70 HN ASP 70 -14.789 -12.240 11.454 430 HA ASP 70 HA ASP 70 -17.647 -11.491 11.284 431 1HB ASP 70 HB2 ASP 70 -18.067 -11.983 13.684 432 2HB ASP 70 HB1 ASP 70 -17.799 -13.453 12.756 433 H PHE 71 HN PHE 71 -14.488 -11.189 12.608 434 HA PHE 71 HA PHE 71 -14.633 -8.995 14.355 435 1HB PHE 71 HB2 PHE 71 -12.568 -9.624 12.238 436 2HB PHE 71 HB1 PHE 71 -12.329 -8.461 13.535 437 HD1 PHE 71 HD1 PHE 71 -12.187 -9.218 15.888 438 HD2 PHE 71 HD2 PHE 71 -12.435 -12.033 12.625 439 HE1 PHE 71 HE1 PHE 71 -11.385 -11.016 17.382 440 HE2 PHE 71 HE2 PHE 71 -11.639 -13.834 14.130 441 HZ PHE 71 HZ PHE 71 -11.112 -13.330 16.511 442 H LEU 72 HN LEU 72 -15.057 -9.156 10.923 443 HA LEU 72 HA LEU 72 -14.491 -6.519 10.148 444 1HB LEU 72 HB2 LEU 72 -16.870 -8.050 9.029 445 2HB LEU 72 HB1 LEU 72 -15.863 -6.862 8.218 446 HG LEU 72 HG LEU 72 -15.262 -9.717 8.856 447 1HD1 LEU 72 HD11 LEU 72 -14.336 -8.463 6.353 448 2HD1 LEU 72 HD12 LEU 72 -15.357 -9.966 6.501 449 3HD1 LEU 72 HD13 LEU 72 -15.220 -8.122 6.330 450 1HD2 LEU 72 HD21 LEU 72 -12.947 -9.164 9.237 451 2HD2 LEU 72 HD22 LEU 72 -12.932 -7.760 8.070 452 3HD2 LEU 72 HD23 LEU 72 -13.200 -8.417 9.771 453 H GLU 73 HN GLU 73 -17.424 -7.827 11.601 454 HA GLU 73 HA GLU 73 -18.949 -5.385 11.622 455 1HB GLU 73 HB2 GLU 73 -20.395 -6.482 13.117 456 2HB GLU 73 HB1 GLU 73 -19.664 -7.829 12.249 457 1HG GLU 73 HG2 GLU 73 -17.929 -7.906 14.142 458 2HG GLU 73 HG1 GLU 73 -19.010 -6.829 15.027 459 H GLN 74 HN GLN 74 -16.577 -6.742 13.882 460 HA GLN 74 HA GLN 74 -16.826 -4.520 15.784 461 1HB GLN 74 HB2 GLN 74 -14.877 -6.803 15.441 462 2HB GLN 74 HB1 GLN 74 -14.577 -5.520 16.617 463 1HG GLN 74 HG2 GLN 74 -16.746 -5.970 17.665 464 2HG GLN 74 HG1 GLN 74 -17.079 -7.221 16.474 465 1HE2 GLN 74 HE21 GLN 74 -16.990 -7.671 19.306 466 2HE2 GLN 74 HE22 GLN 74 -15.708 -8.727 19.627 467 H VAL 75 HN VAL 75 -14.508 -5.454 13.249 468 HA VAL 75 HA VAL 75 -12.850 -3.090 13.634 469 HB VAL 75 HB VAL 75 -13.112 -5.115 11.385 470 1HG1 VAL 75 HG11 VAL 75 -12.210 -3.192 10.141 471 2HG1 VAL 75 HG12 VAL 75 -11.268 -2.536 11.578 472 3HG1 VAL 75 HG13 VAL 75 -11.410 -3.710 10.178 473 1HG2 VAL 75 HG21 VAL 75 -11.109 -6.004 12.558 474 2HG2 VAL 75 HG22 VAL 75 -10.587 -4.338 13.190 475 3HG2 VAL 75 HG23 VAL 75 -11.618 -5.843 13.349 476 H SER 76 HN SER 76 -15.206 -4.033 11.134 477 HA SER 76 HA SER 76 -15.238 -1.523 9.744 478 1HB SER 76 HB2 SER 76 -16.359 -3.722 9.017 479 2HB SER 76 HB1 SER 76 -17.668 -3.299 10.116 480 HG SER 76 HG SER 76 -16.776 -1.351 8.343 481 H SER 77 HN SER 77 -16.309 -2.381 12.857 482 HA SER 77 HA SER 77 -18.586 -0.767 13.314 483 1HB SER 77 HB2 SER 77 -17.990 -0.748 15.627 484 2HB SER 77 HB1 SER 77 -17.384 -2.279 15.004 485 HG SER 77 HG SER 77 -15.859 0.104 15.199 486 H HIS 78 HN HIS 78 -15.186 0.146 13.130 487 HA HIS 78 HA HIS 78 -15.780 2.841 12.316 488 1HB HIS 78 HB2 HIS 78 -15.393 2.314 15.246 489 2HB HIS 78 HB1 HIS 78 -14.616 3.749 14.576 490 HD1 HIS 78 HD1 HIS 78 -17.802 2.629 15.921 491 HD2 HIS 78 HD2 HIS 78 -16.605 5.421 13.067 492 HE1 HIS 78 HE1 HIS 78 -19.750 4.225 15.604 493 HE2 HIS 78 HE2 HIS 78 -19.040 5.941 13.899 494 H PHE 79 HN PHE 79 -13.952 0.300 12.262 495 HA PHE 79 HA PHE 79 -11.436 1.839 11.712 496 1HB PHE 79 HB2 PHE 79 -11.523 0.706 14.027 497 2HB PHE 79 HB1 PHE 79 -11.366 -0.800 13.133 498 HD1 PHE 79 HD1 PHE 79 -9.315 -1.426 12.065 499 HD2 PHE 79 HD2 PHE 79 -9.692 2.424 13.973 500 HE1 PHE 79 HE1 PHE 79 -6.865 -1.133 11.946 501 HE2 PHE 79 HE2 PHE 79 -7.237 2.718 13.847 502 HZ PHE 79 HZ PHE 79 -5.817 0.942 12.835 503 H GLY 80 HN GLY 80 -10.127 0.857 10.161 504 1HA GLY 80 HA2 GLY 80 -11.339 -1.423 8.643 505 2HA GLY 80 HA1 GLY 80 -10.457 -0.107 7.871 506 H GLN 81 HN GLN 81 -10.108 -3.140 8.241 507 HA GLN 81 HA GLN 81 -7.825 -3.840 9.689 508 1HB GLN 81 HB2 GLN 81 -7.607 -5.688 8.251 509 2HB GLN 81 HB1 GLN 81 -9.303 -5.249 8.041 510 1HG GLN 81 HG2 GLN 81 -8.475 -3.760 6.103 511 2HG GLN 81 HG1 GLN 81 -6.984 -4.691 6.197 512 1HE2 GLN 81 HE21 GLN 81 -7.192 -5.876 4.278 513 2HE2 GLN 81 HE22 GLN 81 -8.454 -6.961 3.968 514 H SER 82 HN SER 82 -8.044 -1.807 6.883 515 HA SER 82 HA SER 82 -5.057 -1.436 7.013 516 1HB SER 82 HB2 SER 82 -6.644 -2.272 4.777 517 2HB SER 82 HB1 SER 82 -6.055 -0.646 4.447 518 HG SER 82 HG SER 82 -4.642 -3.019 4.922 519 H ASP 83 HN ASP 83 -7.466 -0.106 8.247 520 HA ASP 83 HA ASP 83 -8.310 2.346 7.307 521 1HB ASP 83 HB2 ASP 83 -8.368 3.153 9.552 522 2HB ASP 83 HB1 ASP 83 -8.592 1.411 9.665 523 H ASN 84 HN ASN 84 -7.248 3.801 6.184 524 HA ASN 84 HA ASN 84 -5.588 5.374 5.546 525 1HB ASN 84 HB2 ASN 84 -5.795 5.877 8.064 526 2HB ASN 84 HB1 ASN 84 -4.316 4.931 8.237 527 1HD2 ASN 84 HD21 ASN 84 -2.498 6.166 8.137 528 2HD2 ASN 84 HD22 ASN 84 -2.323 7.617 7.286 529 H ILE 85 HN ILE 85 -5.128 3.143 4.395 530 HA ILE 85 HA ILE 85 -2.190 2.878 4.599 531 HB ILE 85 HB ILE 85 -4.141 0.592 4.805 532 1HG1 ILE 85 HG12 ILE 85 -1.958 1.716 6.581 533 2HG1 ILE 85 HG11 ILE 85 -3.697 1.653 6.914 534 1HG2 ILE 85 HG21 ILE 85 -1.502 -0.478 4.835 535 2HG2 ILE 85 HG22 ILE 85 -2.479 -0.393 3.270 536 3HG2 ILE 85 HG23 ILE 85 -1.179 0.282 4.359 537 1HD1 ILE 85 HD11 ILE 85 -2.932 -0.475 7.922 538 2HD1 ILE 85 HD12 ILE 85 -3.016 -1.128 6.204 539 3HD1 ILE 85 HD13 ILE 85 -2.026 -0.507 7.626 540 H ILE 86 HN ILE 86 -1.459 1.422 2.694 541 HA ILE 86 HA ILE 86 -3.076 2.190 0.297 542 HB ILE 86 HB ILE 86 -0.118 1.471 0.412 543 1HG1 ILE 86 HG12 ILE 86 -1.525 4.214 0.468 544 2HG1 ILE 86 HG11 ILE 86 -0.571 3.514 1.783 545 1HG2 ILE 86 HG21 ILE 86 -1.582 2.921 -1.822 546 2HG2 ILE 86 HG22 ILE 86 -0.035 1.948 -1.955 547 3HG2 ILE 86 HG23 ILE 86 -1.873 2.020 -1.865 548 1HD1 ILE 86 HD11 ILE 86 1.467 3.727 0.250 549 2HD1 ILE 86 HD12 ILE 86 0.445 4.504 -1.060 550 3HD1 ILE 86 HD13 ILE 86 1.288 4.599 0.582 551 H VAL 87 HN VAL 87 -4.255 0.495 -0.266 552 HA VAL 87 HA VAL 87 -3.029 -2.223 -0.071 553 HB VAL 87 HB VAL 87 -5.955 -1.455 -0.190 554 1HG1 VAL 87 HG11 VAL 87 -5.862 -3.911 -0.690 555 2HG1 VAL 87 HG12 VAL 87 -4.551 -4.181 0.577 556 3HG1 VAL 87 HG13 VAL 87 -6.305 -3.884 0.162 557 1HG2 VAL 87 HG21 VAL 87 -5.043 -2.426 2.413 558 2HG2 VAL 87 HG22 VAL 87 -4.425 -0.744 1.988 559 3HG2 VAL 87 HG23 VAL 87 -5.821 -1.871 2.360 560 H GLY 88 HN GLY 88 -3.437 -3.665 -1.795 561 1HA GLY 88 HA2 GLY 88 -4.590 -2.747 -4.326 562 2HA GLY 88 HA1 GLY 88 -2.829 -2.863 -4.347 563 H CYS 89 HN CYS 89 -5.145 -4.434 -5.574 564 HA CYS 89 HA CYS 89 -4.502 -7.134 -4.527 565 1HB CYS 89 HB2 CYS 89 -6.872 -6.749 -4.819 566 2HB CYS 89 HB1 CYS 89 -6.632 -6.220 -6.475 567 HG CYS 89 HG CYS 89 -6.082 -9.190 -5.594 568 H GLN 90 HN GLN 90 -3.541 -8.687 -5.714 569 HA GLN 90 HA GLN 90 -1.417 -8.078 -7.383 570 1HB GLN 90 HB2 GLN 90 -1.635 -10.308 -6.496 571 2HB GLN 90 HB1 GLN 90 -3.128 -10.570 -7.394 572 1HG GLN 90 HG2 GLN 90 -0.623 -9.869 -8.879 573 2HG GLN 90 HG1 GLN 90 -0.879 -11.529 -8.349 574 1HE2 GLN 90 HE21 GLN 90 -0.993 -10.031 -11.078 575 2HE2 GLN 90 HE22 GLN 90 -2.431 -10.593 -11.769 576 H SER 91 HN SER 91 -4.728 -8.554 -8.335 577 HA SER 91 HA SER 91 -4.015 -7.957 -11.176 578 1HB SER 91 HB2 SER 91 -6.573 -9.029 -9.949 579 2HB SER 91 HB1 SER 91 -6.332 -8.729 -11.667 580 HG SER 91 HG SER 91 -4.522 -10.199 -11.494 581 H GLY 92 HN GLY 92 -5.305 -6.410 -12.308 582 1HA GLY 92 HA2 GLY 92 -6.451 -4.291 -10.534 583 2HA GLY 92 HA1 GLY 92 -5.450 -3.886 -11.931 584 H GLY 93 HN GLY 93 -7.904 -2.817 -11.785 585 1HA GLY 93 HA2 GLY 93 -9.834 -2.469 -13.106 586 2HA GLY 93 HA1 GLY 93 -9.150 -3.645 -14.233 587 H ARG 94 HN ARG 94 -9.274 -5.954 -13.479 588 HA ARG 94 HA ARG 94 -12.015 -6.683 -12.990 589 1HB ARG 94 HB2 ARG 94 -9.493 -8.346 -12.673 590 2HB ARG 94 HB1 ARG 94 -11.144 -8.989 -12.708 591 1HG ARG 94 HG2 ARG 94 -11.421 -7.855 -14.973 592 2HG ARG 94 HG1 ARG 94 -9.717 -7.449 -14.884 593 1HD ARG 94 HD2 ARG 94 -9.151 -9.759 -14.613 594 2HD ARG 94 HD1 ARG 94 -10.857 -10.201 -15.009 595 HE ARG 94 HE ARG 94 -10.451 -8.745 -17.312 596 1HH1 ARG 94 HH21 ARG 94 -7.995 -8.928 -16.419 597 2HH1 ARG 94 HH22 ARG 94 -7.291 -10.780 -16.223 598 1HH2 ARG 94 HH11 ARG 94 -9.700 -9.027 -18.572 599 2HH2 ARG 94 HH12 ARG 94 -9.359 -10.970 -19.089 600 H SER 95 HN SER 95 -9.213 -6.362 -10.909 601 HA SER 95 HA SER 95 -10.704 -7.340 -8.554 602 1HB SER 95 HB2 SER 95 -8.163 -7.626 -8.952 603 2HB SER 95 HB1 SER 95 -8.026 -5.932 -8.493 604 HG SER 95 HG SER 95 -9.433 -7.806 -6.914 605 H ILE 96 HN ILE 96 -9.957 -4.354 -10.098 606 HA ILE 96 HA ILE 96 -10.259 -2.562 -7.907 607 HB ILE 96 HB ILE 96 -10.040 -2.441 -10.782 608 1HG1 ILE 96 HG12 ILE 96 -9.375 -0.083 -10.269 609 2HG1 ILE 96 HG11 ILE 96 -9.899 -0.321 -8.584 610 1HG2 ILE 96 HG21 ILE 96 -12.522 -1.683 -10.798 611 2HG2 ILE 96 HG22 ILE 96 -12.049 -0.229 -9.764 612 3HG2 ILE 96 HG23 ILE 96 -11.992 -1.126 -11.356 613 1HD1 ILE 96 HD11 ILE 96 -7.769 -2.109 -9.765 614 2HD1 ILE 96 HD12 ILE 96 -7.457 -0.805 -8.512 615 3HD1 ILE 96 HD13 ILE 96 -8.142 -2.452 -8.951 616 H LYS 97 HN LYS 97 -12.684 -3.870 -10.175 617 HA LYS 97 HA LYS 97 -14.936 -2.638 -8.787 618 1HB LYS 97 HB2 LYS 97 -16.327 -4.075 -10.213 619 2HB LYS 97 HB1 LYS 97 -15.042 -3.355 -11.191 620 1HG LYS 97 HG2 LYS 97 -13.680 -5.436 -10.805 621 2HG LYS 97 HG1 LYS 97 -15.090 -6.153 -10.026 622 1HD LYS 97 HD2 LYS 97 -16.367 -5.643 -12.163 623 2HD LYS 97 HD1 LYS 97 -14.808 -5.281 -12.906 624 1HE LYS 97 HE2 LYS 97 -14.038 -7.562 -12.131 625 2HE LYS 97 HE1 LYS 97 -15.716 -7.880 -11.682 626 1HZ LYS 97 HZ1 LYS 97 -16.233 -7.599 -14.119 627 2HZ LYS 97 HZ2 LYS 97 -14.517 -7.331 -14.509 628 3HZ LYS 97 HZ3 LYS 97 -15.823 -8.434 -14.014 629 H ALA 98 HN ALA 98 -13.166 -5.632 -8.525 630 HA ALA 98 HA ALA 98 -15.027 -7.042 -6.845 631 1HB ALA 98 HB1 ALA 98 -12.690 -8.277 -6.321 632 2HB ALA 98 HB2 ALA 98 -12.972 -8.113 -8.140 633 3HB ALA 98 HB3 ALA 98 -12.096 -7.590 -6.621 634 H THR 99 HN THR 99 -12.470 -4.768 -6.195 635 HA THR 99 HA THR 99 -12.440 -4.936 -3.337 636 HB THR 99 HB THR 99 -11.844 -2.300 -4.097 637 HG1 THR 99 HG1 THR 99 -10.940 -4.098 -6.051 638 1HG2 THR 99 HG21 THR 99 -9.469 -3.802 -4.170 639 2HG2 THR 99 HG22 THR 99 -10.231 -3.315 -2.581 640 3HG2 THR 99 HG23 THR 99 -9.872 -4.610 -3.856 641 H THR 100 HN THR 100 -14.389 -3.155 -5.631 642 HA THR 100 HA THR 100 -15.743 -1.366 -3.893 643 HB THR 100 HB THR 100 -16.876 -2.759 -6.331 644 HG1 THR 100 HG1 THR 100 -14.658 -1.874 -6.402 645 1HG2 THR 100 HG21 THR 100 -17.517 0.056 -6.057 646 2HG2 THR 100 HG22 THR 100 -18.709 -1.327 -5.822 647 3HG2 THR 100 HG23 THR 100 -17.562 -0.077 -5.108 648 H ASP 101 HN ASP 101 -16.351 -4.749 -4.680 649 HA ASP 101 HA ASP 101 -18.870 -5.093 -3.298 650 1HB ASP 101 HB2 ASP 101 -16.568 -7.044 -3.706 651 2HB ASP 101 HB1 ASP 101 -18.189 -7.480 -3.173 652 H LEU 102 HN LEU 102 -15.494 -5.423 -2.287 653 HA LEU 102 HA LEU 102 -16.131 -6.160 0.430 654 1HB LEU 102 HB2 LEU 102 -13.504 -4.872 -0.289 655 2HB LEU 102 HB1 LEU 102 -13.833 -6.215 0.795 656 HG LEU 102 HG LEU 102 -13.904 -6.279 -2.243 657 1HD1 LEU 102 HD11 LEU 102 -11.853 -7.229 -0.282 658 2HD1 LEU 102 HD12 LEU 102 -12.063 -8.219 -1.809 659 3HD1 LEU 102 HD13 LEU 102 -11.563 -6.641 -0.970 660 1HD2 LEU 102 HD21 LEU 102 -14.653 -8.586 -0.411 661 2HD2 LEU 102 HD22 LEU 102 -15.784 -7.752 -1.596 662 3HD2 LEU 102 HD23 LEU 102 -14.360 -8.863 -1.279 663 H LEU 103 HN LEU 103 -15.555 -3.147 -1.229 664 HA LEU 103 HA LEU 103 -15.324 -1.406 1.013 665 1HB LEU 103 HB2 LEU 103 -14.894 -0.642 -1.273 666 2HB LEU 103 HB1 LEU 103 -16.559 -0.973 -1.736 667 HG LEU 103 HG LEU 103 -17.353 0.773 -0.206 668 1HD1 LEU 103 HD11 LEU 103 -15.471 0.852 1.547 669 2HD1 LEU 103 HD12 LEU 103 -14.311 1.519 0.279 670 3HD1 LEU 103 HD13 LEU 103 -15.752 1.749 1.376 671 1HD2 LEU 103 HD21 LEU 103 -15.781 1.403 -2.552 672 2HD2 LEU 103 HD22 LEU 103 -16.811 2.675 -1.695 673 3HD2 LEU 103 HD23 LEU 103 -15.167 1.912 -2.033 674 H HIS 104 HN HIS 104 -18.176 -2.749 -0.600 675 HA HIS 104 HA HIS 104 -20.169 -1.331 0.922 676 1HB HIS 104 HB2 HIS 104 -20.295 -4.122 -0.280 677 2HB HIS 104 HB1 HIS 104 -21.687 -3.147 0.197 678 HD1 HIS 104 HD1 HIS 104 -20.441 -4.148 -2.801 679 HD2 HIS 104 HD2 HIS 104 -20.929 -0.316 -1.236 680 HE1 HIS 104 HE1 HIS 104 -20.557 -2.566 -4.780 681 HE2 HIS 104 HE2 HIS 104 -20.879 -0.241 -3.861 682 H ALA 105 HN ALA 105 -18.329 -4.266 1.511 683 HA ALA 105 HA ALA 105 -19.735 -4.891 3.990 684 1HB ALA 105 HB1 ALA 105 -18.066 -6.803 3.965 685 2HB ALA 105 HB2 ALA 105 -17.919 -6.330 2.182 686 3HB ALA 105 HB3 ALA 105 -17.274 -6.289 3.888 687 H GLY 106 HN GLY 106 -17.236 -2.805 3.008 688 1HA GLY 106 HA2 GLY 106 -16.740 -0.964 4.650 689 2HA GLY 106 HA1 GLY 106 -16.535 -2.226 5.869 690 H PHE 107 HN PHE 107 -15.180 -0.861 2.941 691 HA PHE 107 HA PHE 107 -12.484 -1.786 3.826 692 1HB PHE 107 HB2 PHE 107 -13.714 -3.280 2.002 693 2HB PHE 107 HB1 PHE 107 -13.121 -2.021 0.923 694 HD1 PHE 107 HD1 PHE 107 -12.209 -4.915 2.999 695 HD2 PHE 107 HD2 PHE 107 -10.664 -1.535 0.803 696 HE1 PHE 107 HE1 PHE 107 -9.961 -5.957 2.965 697 HE2 PHE 107 HE2 PHE 107 -8.423 -2.576 0.780 698 HZ PHE 107 HZ PHE 107 -8.062 -4.788 1.858 699 H THR 108 HN THR 108 -12.987 0.724 4.231 700 HA THR 108 HA THR 108 -11.881 2.172 1.853 701 HB THR 108 HB THR 108 -13.978 3.142 1.939 702 HG1 THR 108 HG1 THR 108 -12.870 4.876 2.206 703 1HG2 THR 108 HG21 THR 108 -14.159 2.857 4.930 704 2HG2 THR 108 HG22 THR 108 -15.536 3.356 3.826 705 3HG2 THR 108 HG23 THR 108 -14.440 2.037 4.515 706 H GLY 109 HN GLY 109 -11.073 4.428 2.735 707 1HA GLY 109 HA2 GLY 109 -9.702 5.661 4.253 708 2HA GLY 109 HA1 GLY 109 -9.780 4.310 5.392 709 H VAL 110 HN VAL 110 -9.084 3.512 2.152 710 HA VAL 110 HA VAL 110 -6.146 3.587 2.576 711 HB VAL 110 HB VAL 110 -5.933 1.406 3.000 712 1HG1 VAL 110 HG11 VAL 110 -8.273 1.538 4.188 713 2HG1 VAL 110 HG12 VAL 110 -9.029 0.868 2.655 714 3HG1 VAL 110 HG13 VAL 110 -7.951 0.641 4.126 715 1HG2 VAL 110 HG21 VAL 110 -7.655 0.817 0.563 716 2HG2 VAL 110 HG22 VAL 110 -5.818 0.727 0.644 717 3HG2 VAL 110 HG23 VAL 110 -7.473 0.032 1.066 718 H LYS 111 HN LYS 111 -4.997 3.004 0.575 719 HA LYS 111 HA LYS 111 -6.572 3.918 -1.786 720 1HB LYS 111 HB2 LYS 111 -3.568 3.732 -1.330 721 2HB LYS 111 HB1 LYS 111 -4.321 4.322 -2.815 722 1HG LYS 111 HG2 LYS 111 -5.522 6.055 -1.452 723 2HG LYS 111 HG1 LYS 111 -4.590 5.539 -0.044 724 1HD LYS 111 HD2 LYS 111 -2.489 6.025 -1.322 725 2HD LYS 111 HD1 LYS 111 -3.477 6.662 -2.635 726 1HE LYS 111 HE2 LYS 111 -2.827 8.567 -1.361 727 2HE LYS 111 HE1 LYS 111 -4.519 8.261 -0.930 728 1HZ LYS 111 HZ1 LYS 111 -3.491 8.179 1.249 729 2HZ LYS 111 HZ2 LYS 111 -2.901 6.552 0.822 730 3HZ LYS 111 HZ3 LYS 111 -2.590 8.291 1.010 731 H ASP 112 HN ASP 112 -6.754 2.699 -3.583 732 HA ASP 112 HA ASP 112 -6.070 -0.199 -3.308 733 1HB ASP 112 HB2 ASP 112 -8.075 1.290 -4.997 734 2HB ASP 112 HB1 ASP 112 -7.596 -0.354 -5.398 735 H ILE 113 HN ILE 113 -4.123 -0.571 -4.128 736 HA ILE 113 HA ILE 113 -3.249 0.864 -6.575 737 HB ILE 113 HB ILE 113 -1.580 -1.115 -5.026 738 1HG1 ILE 113 HG12 ILE 113 -2.605 0.409 -3.362 739 2HG1 ILE 113 HG11 ILE 113 -0.894 0.772 -3.575 740 1HG2 ILE 113 HG21 ILE 113 -1.017 1.162 -6.887 741 2HG2 ILE 113 HG22 ILE 113 0.310 0.546 -5.804 742 3HG2 ILE 113 HG23 ILE 113 -0.811 0.306 -7.262 743 1HD1 ILE 113 HD11 ILE 113 -3.018 2.666 -4.153 744 2HD1 ILE 113 HD12 ILE 113 -1.231 2.970 -4.432 745 3HD1 ILE 113 HD13 ILE 113 -2.884 2.471 -5.076 746 H VAL 114 HN VAL 114 -2.448 -0.329 -8.380 747 HA VAL 114 HA VAL 114 -3.749 -2.996 -8.682 748 HB VAL 114 HB VAL 114 -2.650 -0.963 -10.655 749 1HG1 VAL 114 HG11 VAL 114 -2.316 -2.969 -12.068 750 2HG1 VAL 114 HG12 VAL 114 -3.299 -4.046 -10.945 751 3HG1 VAL 114 HG13 VAL 114 -3.218 -2.865 -12.357 752 1HG2 VAL 114 HG21 VAL 114 -5.298 -1.293 -9.764 753 2HG2 VAL 114 HG22 VAL 114 -4.959 -0.647 -11.433 754 3HG2 VAL 114 HG23 VAL 114 -5.493 -2.039 -10.328 755 H GLY 115 HN GLY 115 -2.590 -4.730 -8.552 756 1HA GLY 115 HA2 GLY 115 -0.759 -6.218 -8.865 757 2HA GLY 115 HA1 GLY 115 0.184 -4.870 -9.500 758 H GLY 116 HN GLY 116 1.960 -5.219 -8.219 759 1HA GLY 116 HA2 GLY 116 2.705 -3.956 -6.046 760 2HA GLY 116 HA1 GLY 116 1.603 -5.092 -5.263 761 H TYR 117 HN TYR 117 2.153 -7.229 -5.180 762 HA TYR 117 HA TYR 117 4.801 -8.006 -4.669 763 1HB TYR 117 HB2 TYR 117 2.783 -9.230 -3.964 764 2HB TYR 117 HB1 TYR 117 2.482 -9.678 -5.636 765 HD1 TYR 117 HD1 TYR 117 3.694 -11.461 -6.713 766 HD2 TYR 117 HD2 TYR 117 4.777 -10.189 -2.739 767 HE1 TYR 117 HE1 TYR 117 5.171 -13.418 -6.485 768 HE2 TYR 117 HE2 TYR 117 6.249 -12.159 -2.514 769 HH TYR 117 HH TYR 117 6.573 -14.342 -3.456 770 H SER 118 HN SER 118 2.916 -8.306 -7.631 771 HA SER 118 HA SER 118 4.791 -9.780 -9.180 772 1HB SER 118 HB2 SER 118 2.416 -9.246 -9.847 773 2HB SER 118 HB1 SER 118 2.949 -7.609 -10.223 774 HG SER 118 HG SER 118 4.629 -9.321 -11.357 775 H ALA 119 HN ALA 119 4.430 -6.307 -8.751 776 HA ALA 119 HA ALA 119 6.709 -5.701 -10.437 777 1HB ALA 119 HB1 ALA 119 5.260 -3.812 -8.530 778 2HB ALA 119 HB2 ALA 119 6.269 -3.320 -10.003 779 3HB ALA 119 HB3 ALA 119 4.747 -4.033 -9.297 780 H TRP 120 HN TRP 120 6.152 -5.603 -6.937 781 HA TRP 120 HA TRP 120 8.845 -4.986 -6.172 782 1HB TRP 120 HB2 TRP 120 6.540 -5.242 -4.779 783 2HB TRP 120 HB1 TRP 120 7.203 -6.839 -4.454 784 HD1 TRP 120 HD1 TRP 120 8.517 -6.857 -2.221 785 HE1 TRP 120 HE1 TRP 120 9.934 -5.127 -0.947 786 HE3 TRP 120 HE3 TRP 120 8.219 -2.879 -5.384 787 HZ2 TRP 120 HZ2 TRP 120 10.835 -2.421 -1.205 788 HZ3 TRP 120 HZ3 TRP 120 9.341 -0.741 -4.878 789 HH2 TRP 120 HH2 TRP 120 10.657 -0.515 -2.771 790 H ALA 121 HN ALA 121 7.211 -7.973 -6.981 791 HA ALA 121 HA ALA 121 9.331 -9.758 -6.245 792 1HB ALA 121 HB1 ALA 121 7.783 -10.879 -8.432 793 2HB ALA 121 HB2 ALA 121 7.266 -11.014 -6.659 794 3HB ALA 121 HB3 ALA 121 7.152 -10.188 -8.280 795 H LYS 122 HN LYS 122 8.734 -7.743 -9.015 796 HA LYS 122 HA LYS 122 10.582 -8.881 -10.868 797 1HB LYS 122 HB2 LYS 122 8.922 -6.997 -11.323 798 2HB LYS 122 HB1 LYS 122 10.043 -5.902 -10.506 799 1HG LYS 122 HG2 LYS 122 11.786 -6.381 -12.118 800 2HG LYS 122 HG1 LYS 122 10.803 -7.651 -12.851 801 1HD LYS 122 HD2 LYS 122 10.774 -5.503 -14.144 802 2HD LYS 122 HD1 LYS 122 9.172 -6.033 -13.629 803 1HE LYS 122 HE2 LYS 122 9.860 -3.521 -13.284 804 2HE LYS 122 HE1 LYS 122 9.054 -4.375 -11.958 805 1HZ LYS 122 HZ1 LYS 122 11.409 -4.702 -11.046 806 2HZ LYS 122 HZ2 LYS 122 12.035 -3.589 -12.283 807 3HZ LYS 122 HZ3 LYS 122 11.080 -3.858 -10.802 808 H ASN 123 HN ASN 123 11.002 -6.700 -8.121 809 HA ASN 123 HA ASN 123 13.828 -6.118 -8.530 810 1HB ASN 123 HB2 ASN 123 12.188 -6.247 -5.985 811 2HB ASN 123 HB1 ASN 123 13.816 -5.588 -6.101 812 1HD2 ASN 123 HD21 ASN 123 11.687 -4.006 -5.210 813 2HD2 ASN 123 HD22 ASN 123 11.363 -2.808 -6.359 814 H GLY 124 HN GLY 124 12.328 -8.215 -6.099 815 1HA GLY 124 HA2 GLY 124 12.923 -10.594 -5.844 816 2HA GLY 124 HA1 GLY 124 14.501 -10.222 -6.550 817 H LEU 125 HN LEU 125 12.910 -8.232 -4.142 818 HA LEU 125 HA LEU 125 14.976 -9.111 -2.153 819 1HB LEU 125 HB2 LEU 125 14.065 -6.293 -2.820 820 2HB LEU 125 HB1 LEU 125 14.945 -6.691 -1.340 821 HG LEU 125 HG LEU 125 16.029 -7.660 -3.963 822 1HD1 LEU 125 HD11 LEU 125 15.743 -5.050 -4.223 823 2HD1 LEU 125 HD12 LEU 125 16.923 -4.838 -2.826 824 3HD1 LEU 125 HD13 LEU 125 16.577 -5.349 -4.568 825 1HD2 LEU 125 HD21 LEU 125 17.304 -8.198 -1.795 826 2HD2 LEU 125 HD22 LEU 125 18.292 -6.859 -2.554 827 3HD2 LEU 125 HD23 LEU 125 17.123 -7.432 -1.249 828 HA PRO 126 HA PRO 126 10.883 -9.191 -0.130 829 1HB PRO 126 HB2 PRO 126 10.747 -11.927 0.286 830 2HB PRO 126 HB1 PRO 126 10.138 -11.090 -1.153 831 1HG PRO 126 HG2 PRO 126 12.319 -12.923 -0.942 832 2HG PRO 126 HG1 PRO 126 11.642 -12.157 -2.387 833 1HD PRO 126 HD2 PRO 126 14.053 -11.419 -0.852 834 2HD PRO 126 HD1 PRO 126 13.608 -11.005 -2.522 835 H THR 127 HN THR 127 11.179 -8.510 1.912 836 HA THR 127 HA THR 127 13.113 -9.867 3.698 837 HB THR 127 HB THR 127 11.380 -7.391 4.062 838 HG1 THR 127 HG1 THR 127 14.159 -7.423 3.834 839 1HG2 THR 127 HG21 THR 127 12.300 -8.562 6.286 840 2HG2 THR 127 HG22 THR 127 13.911 -7.793 5.783 841 3HG2 THR 127 HG23 THR 127 12.175 -7.629 6.291 842 H LYS 128 HN LYS 128 12.491 -11.229 5.242 843 HA LYS 128 HA LYS 128 9.965 -11.246 6.576 844 1HB LYS 128 HB2 LYS 128 8.950 -13.242 5.555 845 2HB LYS 128 HB1 LYS 128 9.176 -11.991 4.340 846 1HG LYS 128 HG2 LYS 128 11.164 -14.226 4.763 847 2HG LYS 128 HG1 LYS 128 9.842 -14.330 3.600 848 1HD LYS 128 HD2 LYS 128 10.765 -12.063 2.730 849 2HD LYS 128 HD1 LYS 128 12.233 -12.515 3.603 850 1HE LYS 128 HE2 LYS 128 10.858 -14.033 1.362 851 2HE LYS 128 HE1 LYS 128 12.472 -13.306 1.351 852 1HZ LYS 128 HZ1 LYS 128 12.650 -15.111 3.383 853 2HZ LYS 128 HZ2 LYS 128 11.702 -16.022 2.184 854 3HZ LYS 128 HZ3 LYS 128 13.212 -15.195 2.637 855 H ALA 129 HN ALA 129 9.749 -13.272 7.865 856 HA ALA 129 HA ALA 129 12.326 -13.917 9.046 857 1HB ALA 129 HB1 ALA 129 9.595 -14.994 9.802 858 2HB ALA 129 HB2 ALA 129 11.067 -14.894 10.906 859 3HB ALA 129 HB3 ALA 129 9.670 -14.076 10.046 Start of MODEL 2 1 H ALA 11 HN ALA 11 -14.370 19.851 6.065 2 HA ALA 11 HA ALA 11 -14.785 18.368 4.297 3 1HB ALA 11 HB1 ALA 11 -13.935 20.330 2.228 4 2HB ALA 11 HB2 ALA 11 -15.627 19.685 2.518 5 3HB ALA 11 HB3 ALA 11 -14.317 20.937 2.845 6 H GLU 12 HN GLU 12 -12.168 18.589 5.580 7 HA GLU 12 HA GLU 12 -10.313 17.743 3.418 8 1HB GLU 12 HB2 GLU 12 -9.846 18.272 6.363 9 2HB GLU 12 HB1 GLU 12 -8.607 17.710 5.244 10 1HG GLU 12 HG2 GLU 12 -8.954 19.744 3.864 11 2HG GLU 12 HG1 GLU 12 -10.150 20.315 5.031 12 H GLU 13 HN GLU 13 -12.666 16.232 4.537 13 HA GLU 13 HA GLU 13 -11.891 14.017 6.103 14 1HB GLU 13 HB2 GLU 13 -13.828 14.061 3.761 15 2HB GLU 13 HB1 GLU 13 -13.720 12.779 4.968 16 1HG GLU 13 HG2 GLU 13 -14.308 15.683 5.610 17 2HG GLU 13 HG1 GLU 13 -15.535 14.425 5.462 18 H SER 14 HN SER 14 -10.906 12.131 5.673 19 HA SER 14 HA SER 14 -10.059 11.395 2.934 20 1HB SER 14 HB2 SER 14 -8.142 12.239 5.104 21 2HB SER 14 HB1 SER 14 -7.662 11.059 3.886 22 HG SER 14 HG SER 14 -8.886 13.501 3.189 23 H ARG 15 HN ARG 15 -11.529 9.682 3.430 24 HA ARG 15 HA ARG 15 -10.267 7.349 4.659 25 1HB ARG 15 HB2 ARG 15 -11.203 8.591 6.656 26 2HB ARG 15 HB1 ARG 15 -12.809 8.296 5.982 27 1HG ARG 15 HG2 ARG 15 -12.269 5.865 5.984 28 2HG ARG 15 HG1 ARG 15 -10.711 6.234 6.723 29 1HD ARG 15 HD2 ARG 15 -12.020 7.378 8.501 30 2HD ARG 15 HD1 ARG 15 -13.446 6.439 7.891 31 HE ARG 15 HE ARG 15 -11.787 4.975 9.612 32 1HH1 ARG 15 HH21 ARG 15 -13.653 4.309 7.893 33 2HH1 ARG 15 HH22 ARG 15 -13.005 3.879 6.060 34 1HH2 ARG 15 HH11 ARG 15 -11.637 3.487 9.576 35 2HH2 ARG 15 HH12 ARG 15 -10.427 2.668 8.152 36 H VAL 16 HN VAL 16 -10.835 7.331 2.218 37 HA VAL 16 HA VAL 16 -13.305 5.694 1.988 38 HB VAL 16 HB VAL 16 -13.012 7.242 -0.398 39 1HG1 VAL 16 HG11 VAL 16 -15.373 6.710 0.234 40 2HG1 VAL 16 HG12 VAL 16 -15.119 7.155 1.999 41 3HG1 VAL 16 HG13 VAL 16 -15.436 7.663 0.257 42 1HG2 VAL 16 HG21 VAL 16 -13.141 9.075 2.008 43 2HG2 VAL 16 HG22 VAL 16 -11.762 9.022 0.802 44 3HG2 VAL 16 HG23 VAL 16 -13.500 9.474 1.218 45 HA PRO 17 HA PRO 17 -10.706 3.400 -0.717 46 1HB PRO 17 HB2 PRO 17 -12.507 2.431 -2.603 47 2HB PRO 17 HB1 PRO 17 -12.376 1.857 -0.933 48 1HG PRO 17 HG2 PRO 17 -14.502 3.348 -2.173 49 2HG PRO 17 HG1 PRO 17 -14.453 2.556 -0.589 50 1HD PRO 17 HD2 PRO 17 -14.118 5.390 -1.224 51 2HD PRO 17 HD1 PRO 17 -14.339 4.619 0.362 52 H SER 18 HN SER 18 -9.350 3.745 -2.343 53 HA SER 18 HA SER 18 -10.147 5.404 -4.689 54 1HB SER 18 HB2 SER 18 -9.103 6.929 -3.017 55 2HB SER 18 HB1 SER 18 -7.656 5.923 -3.040 56 HG SER 18 HG SER 18 -7.476 7.678 -4.470 57 H SER 19 HN SER 19 -9.200 4.775 -6.529 58 HA SER 19 HA SER 19 -7.419 2.378 -6.418 59 1HB SER 19 HB2 SER 19 -9.355 2.064 -7.801 60 2HB SER 19 HB1 SER 19 -9.102 3.603 -8.618 61 HG SER 19 HG SER 19 -7.166 1.556 -8.646 62 H VAL 20 HN VAL 20 -5.461 2.364 -7.372 63 HA VAL 20 HA VAL 20 -4.481 4.765 -8.776 64 HB VAL 20 HB VAL 20 -3.624 5.604 -6.876 65 1HG1 VAL 20 HG11 VAL 20 -4.932 3.799 -5.333 66 2HG1 VAL 20 HG12 VAL 20 -3.278 2.965 -5.244 67 3HG1 VAL 20 HG13 VAL 20 -4.334 4.406 -4.885 68 1HG2 VAL 20 HG21 VAL 20 -1.320 4.737 -6.656 69 2HG2 VAL 20 HG22 VAL 20 -1.809 2.990 -6.881 70 3HG2 VAL 20 HG23 VAL 20 -1.391 4.636 -7.605 71 H SER 21 HN SER 21 -1.991 4.273 -9.265 72 HA SER 21 HA SER 21 -1.855 1.409 -10.183 73 1HB SER 21 HB2 SER 21 -0.861 3.928 -11.545 74 2HB SER 21 HB1 SER 21 -0.467 2.298 -12.082 75 HG SER 21 HG SER 21 -2.326 2.274 -13.021 76 H VAL 22 HN VAL 22 0.167 0.449 -10.148 77 HA VAL 22 HA VAL 22 1.757 0.844 -7.893 78 HB VAL 22 HB VAL 22 1.740 -1.184 -9.404 79 1HG1 VAL 22 HG11 VAL 22 2.092 0.065 -11.680 80 2HG1 VAL 22 HG12 VAL 22 3.868 0.264 -11.240 81 3HG1 VAL 22 HG13 VAL 22 2.467 -0.808 -11.702 82 1HG2 VAL 22 HG21 VAL 22 3.821 -0.922 -7.887 83 2HG2 VAL 22 HG22 VAL 22 4.543 -1.280 -9.533 84 3HG2 VAL 22 HG23 VAL 22 4.163 -0.089 -8.193 85 H THR 23 HN THR 23 1.784 2.530 -10.913 86 HA THR 23 HA THR 23 4.408 3.700 -10.723 87 HB THR 23 HB THR 23 3.831 4.701 -12.702 88 HG1 THR 23 HG1 THR 23 1.422 5.622 -12.361 89 1HG2 THR 23 HG21 THR 23 2.074 2.531 -12.694 90 2HG2 THR 23 HG22 THR 23 0.919 3.974 -12.985 91 3HG2 THR 23 HG23 THR 23 2.351 2.991 -13.486 92 H VAL 24 HN VAL 24 1.191 5.139 -10.000 93 HA VAL 24 HA VAL 24 2.278 7.479 -8.730 94 HB VAL 24 HB VAL 24 -0.243 6.587 -7.510 95 1HG1 VAL 24 HG11 VAL 24 -0.512 8.910 -9.181 96 2HG1 VAL 24 HG12 VAL 24 0.096 8.994 -7.439 97 3HG1 VAL 24 HG13 VAL 24 0.433 8.990 -9.238 98 1HG2 VAL 24 HG21 VAL 24 -0.535 6.780 -10.513 99 2HG2 VAL 24 HG22 VAL 24 -0.481 5.152 -9.666 100 3HG2 VAL 24 HG23 VAL 24 -1.369 6.726 -10.040 101 H ALA 25 HN ALA 25 1.530 4.274 -7.527 102 HA ALA 25 HA ALA 25 1.713 4.681 -4.733 103 1HB ALA 25 HB1 ALA 25 2.413 2.307 -6.409 104 2HB ALA 25 HB2 ALA 25 2.741 2.250 -4.620 105 3HB ALA 25 HB3 ALA 25 1.538 2.284 -6.029 106 H HIS 26 HN HIS 26 4.247 4.484 -7.190 107 HA HIS 26 HA HIS 26 6.523 4.397 -5.469 108 1HB HIS 26 HB2 HIS 26 6.568 4.107 -7.973 109 2HB HIS 26 HB1 HIS 26 6.272 5.832 -8.142 110 HD1 HIS 26 HD1 HIS 26 8.253 7.431 -7.735 111 HD2 HIS 26 HD2 HIS 26 9.170 3.450 -6.915 112 HE1 HIS 26 HE1 HIS 26 10.759 7.327 -7.348 113 HE2 HIS 26 HE2 HIS 26 11.337 4.930 -6.823 114 H ASP 27 HN ASP 27 4.656 7.142 -6.743 115 HA ASP 27 HA ASP 27 6.188 9.265 -5.528 116 1HB ASP 27 HB2 ASP 27 3.209 9.087 -6.104 117 2HB ASP 27 HB1 ASP 27 4.035 10.554 -5.596 118 H LEU 28 HN LEU 28 3.432 7.376 -4.387 119 HA LEU 28 HA LEU 28 3.185 8.698 -1.846 120 1HB LEU 28 HB2 LEU 28 2.247 6.062 -2.977 121 2HB LEU 28 HB1 LEU 28 1.999 6.433 -1.271 122 HG LEU 28 HG LEU 28 0.881 8.605 -2.037 123 1HD1 LEU 28 HD11 LEU 28 1.624 8.632 -4.473 124 2HD1 LEU 28 HD12 LEU 28 0.797 7.032 -4.841 125 3HD1 LEU 28 HD13 LEU 28 0.706 8.853 -4.533 126 1HD2 LEU 28 HD21 LEU 28 -0.347 5.903 -2.554 127 2HD2 LEU 28 HD22 LEU 28 -1.014 7.250 -1.503 128 3HD2 LEU 28 HD23 LEU 28 -0.867 6.437 -3.145 129 H LEU 29 HN LEU 29 5.110 6.024 -3.021 130 HA LEU 29 HA LEU 29 6.061 4.880 -0.592 131 1HB LEU 29 HB2 LEU 29 6.518 4.229 -3.100 132 2HB LEU 29 HB1 LEU 29 7.827 5.396 -3.029 133 HG LEU 29 HG LEU 29 8.884 3.399 -2.530 134 1HD1 LEU 29 HD11 LEU 29 9.061 3.611 0.209 135 2HD1 LEU 29 HD12 LEU 29 9.482 5.125 -0.767 136 3HD1 LEU 29 HD13 LEU 29 8.321 4.207 0.290 137 1HD2 LEU 29 HD21 LEU 29 6.363 2.398 -1.339 138 2HD2 LEU 29 HD22 LEU 29 7.788 1.384 -1.931 139 3HD2 LEU 29 HD23 LEU 29 6.916 2.254 -0.569 140 H LEU 30 HN LEU 30 7.117 7.781 -2.371 141 HA LEU 30 HA LEU 30 9.348 8.476 -0.658 142 1HB LEU 30 HB2 LEU 30 7.539 10.094 -2.497 143 2HB LEU 30 HB1 LEU 30 8.820 10.868 -1.570 144 HG LEU 30 HG LEU 30 10.428 9.293 -2.641 145 1HD1 LEU 30 HD11 LEU 30 8.775 7.494 -3.564 146 2HD1 LEU 30 HD12 LEU 30 8.372 8.690 -4.898 147 3HD1 LEU 30 HD13 LEU 30 9.575 7.577 -4.086 148 1HD2 LEU 30 HD21 LEU 30 9.298 10.774 -4.943 149 2HD2 LEU 30 HD22 LEU 30 9.912 11.749 -3.517 150 3HD2 LEU 30 HD23 LEU 30 10.246 10.630 -4.935 151 H ALA 31 HN ALA 31 5.878 8.950 -0.485 152 HA ALA 31 HA ALA 31 5.886 10.880 1.661 153 1HB ALA 31 HB1 ALA 31 3.693 9.378 0.346 154 2HB ALA 31 HB2 ALA 31 3.382 9.835 2.115 155 3HB ALA 31 HB3 ALA 31 3.716 10.326 0.393 156 H GLY 32 HN GLY 32 6.186 7.440 1.477 157 1HA GLY 32 HA2 GLY 32 6.998 5.939 3.118 158 2HA GLY 32 HA1 GLY 32 7.099 7.293 4.248 159 H HIS 33 HN HIS 33 4.356 5.964 2.445 160 HA HIS 33 HA HIS 33 2.818 5.895 4.998 161 1HB HIS 33 HB2 HIS 33 2.031 5.798 2.082 162 2HB HIS 33 HB1 HIS 33 0.886 5.420 3.368 163 HD1 HIS 33 HD1 HIS 33 2.953 7.879 4.861 164 HD2 HIS 33 HD2 HIS 33 -0.015 8.040 1.938 165 HE1 HIS 33 HE1 HIS 33 2.164 10.291 4.752 166 HE2 HIS 33 HE2 HIS 33 0.385 10.418 2.970 167 H ARG 34 HN ARG 34 1.601 4.023 5.529 168 HA ARG 34 HA ARG 34 3.054 1.570 5.448 169 1HB ARG 34 HB2 ARG 34 0.103 1.998 6.031 170 2HB ARG 34 HB1 ARG 34 1.018 0.539 6.393 171 1HG ARG 34 HG2 ARG 34 1.927 3.220 7.502 172 2HG ARG 34 HG1 ARG 34 0.690 2.265 8.310 173 1HD ARG 34 HD2 ARG 34 3.468 1.221 7.708 174 2HD ARG 34 HD1 ARG 34 3.071 1.996 9.191 175 HE ARG 34 HE ARG 34 1.280 -0.531 8.771 176 1HH1 ARG 34 HH21 ARG 34 3.540 -0.914 7.395 177 2HH1 ARG 34 HH22 ARG 34 5.200 -0.807 8.491 178 1HH2 ARG 34 HH11 ARG 34 1.649 -1.980 9.156 179 2HH2 ARG 34 HH12 ARG 34 2.925 -2.269 10.723 180 H TYR 35 HN TYR 35 2.816 -0.251 4.268 181 HA TYR 35 HA TYR 35 1.165 -0.076 1.769 182 1HB TYR 35 HB2 TYR 35 3.874 0.006 1.876 183 2HB TYR 35 HB1 TYR 35 3.613 -1.730 1.741 184 HD1 TYR 35 HD1 TYR 35 3.139 1.559 0.094 185 HD2 TYR 35 HD2 TYR 35 2.623 -2.704 -0.318 186 HE1 TYR 35 HE1 TYR 35 2.771 1.838 -2.328 187 HE2 TYR 35 HE2 TYR 35 2.249 -2.412 -2.740 188 HH TYR 35 HH TYR 35 1.720 -0.826 -4.366 189 H LEU 36 HN LEU 36 -0.434 -1.572 2.043 190 HA LEU 36 HA LEU 36 0.298 -4.265 3.168 191 1HB LEU 36 HB2 LEU 36 -1.187 -2.745 4.593 192 2HB LEU 36 HB1 LEU 36 -2.421 -2.894 3.350 193 HG LEU 36 HG LEU 36 -1.191 -5.383 4.570 194 1HD1 LEU 36 HD11 LEU 36 -3.587 -4.587 5.985 195 2HD1 LEU 36 HD12 LEU 36 -1.928 -4.649 6.736 196 3HD1 LEU 36 HD13 LEU 36 -3.320 -3.679 5.994 197 1HD2 LEU 36 HD21 LEU 36 -3.678 -4.839 2.985 198 2HD2 LEU 36 HD22 LEU 36 -2.749 -6.396 3.103 199 3HD2 LEU 36 HD23 LEU 36 -4.082 -5.279 3.730 200 H ASP 37 HN ASP 37 0.542 -5.374 1.316 201 HA ASP 37 HA ASP 37 -1.406 -5.075 -0.936 202 1HB ASP 37 HB2 ASP 37 1.228 -6.583 -0.738 203 2HB ASP 37 HB1 ASP 37 0.226 -6.474 -2.181 204 H VAL 38 HN VAL 38 -2.336 -7.011 -1.814 205 HA VAL 38 HA VAL 38 -2.274 -9.394 -0.008 206 HB VAL 38 HB VAL 38 -4.701 -9.675 -0.088 207 1HG1 VAL 38 HG11 VAL 38 -3.589 -7.248 1.144 208 2HG1 VAL 38 HG12 VAL 38 -5.357 -7.021 0.697 209 3HG1 VAL 38 HG13 VAL 38 -4.068 -7.914 1.638 210 1HG2 VAL 38 HG21 VAL 38 -5.979 -7.760 -1.479 211 2HG2 VAL 38 HG22 VAL 38 -4.385 -7.494 -2.350 212 3HG2 VAL 38 HG23 VAL 38 -5.826 -8.567 -1.944 213 H ARG 39 HN ARG 39 -0.956 -10.347 -1.494 214 HA ARG 39 HA ARG 39 -1.709 -10.620 -4.337 215 1HB ARG 39 HB2 ARG 39 0.406 -12.185 -2.815 216 2HB ARG 39 HB1 ARG 39 0.322 -11.899 -4.557 217 1HG ARG 39 HG2 ARG 39 0.829 -9.774 -2.463 218 2HG ARG 39 HG1 ARG 39 1.998 -10.411 -3.610 219 1HD ARG 39 HD2 ARG 39 0.493 -9.638 -5.456 220 2HD ARG 39 HD1 ARG 39 -0.425 -8.699 -4.244 221 HE ARG 39 HE ARG 39 1.504 -7.201 -5.488 222 1HH1 ARG 39 HH21 ARG 39 3.132 -8.922 -4.226 223 2HH1 ARG 39 HH22 ARG 39 3.007 -8.889 -2.242 224 1HH2 ARG 39 HH11 ARG 39 2.625 -6.300 -4.989 225 2HH2 ARG 39 HH12 ARG 39 2.496 -5.523 -3.106 226 H THR 40 HN THR 40 -1.499 -12.693 -1.459 227 HA THR 40 HA THR 40 -3.855 -14.184 -1.988 228 HB THR 40 HB THR 40 -2.149 -16.238 -2.785 229 HG1 THR 40 HG1 THR 40 -0.561 -15.319 -3.740 230 1HG2 THR 40 HG21 THR 40 -4.279 -14.677 -4.125 231 2HG2 THR 40 HG22 THR 40 -3.193 -15.664 -5.234 232 3HG2 THR 40 HG23 THR 40 -4.450 -15.589 -3.886 233 HA PRO 41 HA PRO 41 -2.770 -15.885 1.915 234 1HB PRO 41 HB2 PRO 41 -3.763 -18.495 1.668 235 2HB PRO 41 HB1 PRO 41 -4.725 -17.059 2.057 236 1HG PRO 41 HG2 PRO 41 -4.500 -18.545 -0.471 237 2HG PRO 41 HG1 PRO 41 -5.851 -17.610 0.187 238 1HD PRO 41 HD2 PRO 41 -4.202 -16.734 -1.859 239 2HD PRO 41 HD1 PRO 41 -5.157 -15.664 -0.812 240 H GLU 42 HN GLU 42 -1.569 -17.229 -0.962 241 HA GLU 42 HA GLU 42 0.115 -19.327 0.171 242 1HB GLU 42 HB2 GLU 42 -0.589 -19.182 -2.264 243 2HB GLU 42 HB1 GLU 42 0.516 -17.815 -2.431 244 1HG GLU 42 HG2 GLU 42 1.704 -19.801 -3.126 245 2HG GLU 42 HG1 GLU 42 2.353 -19.299 -1.565 246 H GLU 43 HN GLU 43 0.504 -15.900 -0.622 247 HA GLU 43 HA GLU 43 3.335 -15.694 -0.251 248 1HB GLU 43 HB2 GLU 43 3.008 -13.356 -0.130 249 2HB GLU 43 HB1 GLU 43 1.639 -13.907 -1.096 250 1HG GLU 43 HG2 GLU 43 0.581 -12.524 0.459 251 2HG GLU 43 HG1 GLU 43 0.437 -14.103 1.233 252 H PHE 44 HN PHE 44 0.710 -15.932 1.987 253 HA PHE 44 HA PHE 44 2.136 -15.114 4.401 254 1HB PHE 44 HB2 PHE 44 -0.341 -15.101 4.117 255 2HB PHE 44 HB1 PHE 44 -0.318 -16.856 4.049 256 HD1 PHE 44 HD1 PHE 44 -0.116 -18.193 6.014 257 HD2 PHE 44 HD2 PHE 44 0.298 -13.906 6.249 258 HE1 PHE 44 HE1 PHE 44 -0.189 -18.326 8.480 259 HE2 PHE 44 HE2 PHE 44 0.216 -14.042 8.719 260 HZ PHE 44 HZ PHE 44 -0.026 -16.250 9.842 261 H SER 45 HN SER 45 1.289 -18.187 2.861 262 HA SER 45 HA SER 45 2.262 -20.002 4.813 263 1HB SER 45 HB2 SER 45 1.016 -20.603 2.683 264 2HB SER 45 HB1 SER 45 2.532 -20.375 1.816 265 HG SER 45 HG SER 45 2.265 -22.069 4.065 266 H GLN 46 HN GLN 46 3.964 -18.235 2.287 267 HA GLN 46 HA GLN 46 6.543 -19.492 2.981 268 1HB GLN 46 HB2 GLN 46 6.210 -17.028 1.263 269 2HB GLN 46 HB1 GLN 46 7.452 -18.275 1.168 270 1HG GLN 46 HG2 GLN 46 4.518 -18.645 0.488 271 2HG GLN 46 HG1 GLN 46 5.837 -18.499 -0.669 272 1HE2 GLN 46 HE21 GLN 46 3.905 -20.785 0.488 273 2HE2 GLN 46 HE22 GLN 46 4.952 -22.111 0.551 274 H GLY 47 HN GLY 47 4.848 -16.475 3.527 275 1HA GLY 47 HA2 GLY 47 5.453 -15.620 5.931 276 2HA GLY 47 HA1 GLY 47 7.073 -15.488 5.252 277 H HIS 48 HN HIS 48 7.335 -13.352 5.273 278 HA HIS 48 HA HIS 48 5.281 -11.661 3.933 279 1HB HIS 48 HB2 HIS 48 7.557 -10.954 5.800 280 2HB HIS 48 HB1 HIS 48 6.592 -9.747 4.961 281 HD1 HIS 48 HD1 HIS 48 3.953 -9.794 5.534 282 HD2 HIS 48 HD2 HIS 48 6.427 -11.864 8.171 283 HE1 HIS 48 HE1 HIS 48 2.613 -10.143 7.654 284 HE2 HIS 48 HE2 HIS 48 4.077 -11.418 9.263 285 H ALA 49 HN ALA 49 6.971 -9.574 3.251 286 HA ALA 49 HA ALA 49 8.912 -10.705 1.312 287 1HB ALA 49 HB1 ALA 49 6.455 -10.207 0.180 288 2HB ALA 49 HB2 ALA 49 7.248 -8.572 -0.076 289 3HB ALA 49 HB3 ALA 49 7.197 -10.381 -0.387 290 H CYS 50 HN CYS 50 10.193 -9.029 0.357 291 HA CYS 50 HA CYS 50 10.830 -6.856 2.235 292 1HB CYS 50 HB2 CYS 50 12.531 -8.366 0.928 293 2HB CYS 50 HB1 CYS 50 12.220 -7.229 -0.403 294 HG CYS 50 HG CYS 50 13.809 -6.662 2.096 295 H GLY 51 HN GLY 51 11.122 -4.700 1.442 296 1HA GLY 51 HA2 GLY 51 10.575 -2.825 0.066 297 2HA GLY 51 HA1 GLY 51 9.617 -3.889 -0.973 298 H ALA 52 HN ALA 52 7.896 -5.046 0.728 299 HA ALA 52 HA ALA 52 6.651 -3.015 2.491 300 1HB ALA 52 HB1 ALA 52 4.575 -3.555 0.652 301 2HB ALA 52 HB2 ALA 52 5.598 -2.048 0.529 302 3HB ALA 52 HB3 ALA 52 5.167 -3.739 -0.076 303 H ILE 53 HN ILE 53 4.442 -3.946 3.198 304 HA ILE 53 HA ILE 53 4.884 -6.833 3.797 305 HB ILE 53 HB ILE 53 3.298 -4.624 5.134 306 1HG1 ILE 53 HG12 ILE 53 5.594 -6.380 6.082 307 2HG1 ILE 53 HG11 ILE 53 5.745 -4.720 5.476 308 1HG2 ILE 53 HG21 ILE 53 3.209 -7.141 6.565 309 2HG2 ILE 53 HG22 ILE 53 1.761 -6.316 5.820 310 3HG2 ILE 53 HG23 ILE 53 3.093 -7.593 5.735 311 1HD1 ILE 53 HD11 ILE 53 3.896 -4.365 7.506 312 2HD1 ILE 53 HD12 ILE 53 5.047 -5.588 8.253 313 3HD1 ILE 53 HD13 ILE 53 4.743 -3.918 7.556 314 H ASN 54 HN ASN 54 3.427 -8.327 3.236 315 HA ASN 54 HA ASN 54 0.908 -7.469 1.853 316 1HB ASN 54 HB2 ASN 54 1.237 -9.155 0.171 317 2HB ASN 54 HB1 ASN 54 2.669 -8.129 0.199 318 1HD2 ASN 54 HD21 ASN 54 2.746 -10.749 -0.856 319 2HD2 ASN 54 HD22 ASN 54 3.709 -11.720 0.140 320 H VAL 55 HN VAL 55 -0.814 -8.491 2.569 321 HA VAL 55 HA VAL 55 -0.510 -11.167 3.804 322 HB VAL 55 HB VAL 55 -2.323 -9.597 5.418 323 1HG1 VAL 55 HG11 VAL 55 0.262 -11.036 6.019 324 2HG1 VAL 55 HG12 VAL 55 -0.759 -10.322 7.347 325 3HG1 VAL 55 HG13 VAL 55 -0.480 -11.620 6.058 326 1HG2 VAL 55 HG21 VAL 55 -1.019 -7.559 5.643 327 2HG2 VAL 55 HG22 VAL 55 0.583 -8.439 5.602 328 3HG2 VAL 55 HG23 VAL 55 -0.795 -7.624 4.714 329 HA PRO 56 HA PRO 56 -4.264 -11.949 1.797 330 1HB PRO 56 HB2 PRO 56 -5.469 -13.755 3.517 331 2HB PRO 56 HB1 PRO 56 -4.086 -14.126 2.472 332 1HG PRO 56 HG2 PRO 56 -4.187 -13.761 5.368 333 2HG PRO 56 HG1 PRO 56 -3.016 -14.634 4.368 334 1HD PRO 56 HD2 PRO 56 -2.680 -12.057 5.535 335 2HD PRO 56 HD1 PRO 56 -1.586 -12.867 4.394 336 H TYR 57 HN TYR 57 -4.255 -9.698 3.718 337 HA TYR 57 HA TYR 57 -5.799 -8.191 4.735 338 1HB TYR 57 HB2 TYR 57 -6.452 -8.179 2.372 339 2HB TYR 57 HB1 TYR 57 -7.504 -9.557 2.660 340 HD1 TYR 57 HD1 TYR 57 -9.756 -9.242 3.495 341 HD2 TYR 57 HD2 TYR 57 -6.913 -6.006 3.586 342 HE1 TYR 57 HE1 TYR 57 -11.542 -7.675 4.167 343 HE2 TYR 57 HE2 TYR 57 -8.697 -4.449 4.255 344 HH TYR 57 HH TYR 57 -12.048 -5.587 4.768 345 H MET 58 HN MET 58 -8.327 -10.353 3.896 346 HA MET 58 HA MET 58 -8.483 -11.560 6.589 347 1HB MET 58 HB2 MET 58 -9.524 -9.333 6.855 348 2HB MET 58 HB1 MET 58 -10.659 -9.732 5.568 349 1HG MET 58 HG2 MET 58 -11.430 -11.688 6.932 350 2HG MET 58 HG1 MET 58 -10.392 -11.118 8.248 351 1HE MET 58 HE1 MET 58 -13.674 -10.326 9.716 352 2HE MET 58 HE2 MET 58 -13.475 -11.741 8.536 353 3HE MET 58 HE3 MET 58 -12.842 -10.748 9.969 354 H ASN 59 HN ASN 59 -9.217 -13.538 6.359 355 HA ASN 59 HA ASN 59 -11.345 -14.226 4.425 356 1HB ASN 59 HB2 ASN 59 -9.090 -14.345 3.193 357 2HB ASN 59 HB1 ASN 59 -8.717 -15.691 4.271 358 1HD2 ASN 59 HD21 ASN 59 -9.026 -15.974 1.427 359 2HD2 ASN 59 HD22 ASN 59 -10.368 -16.966 1.149 360 H ARG 60 HN ARG 60 -12.630 -15.575 5.505 361 HA ARG 60 HA ARG 60 -11.417 -17.367 7.602 362 1HB ARG 60 HB2 ARG 60 -13.342 -17.122 8.959 363 2HB ARG 60 HB1 ARG 60 -12.961 -15.484 8.426 364 1HG ARG 60 HG2 ARG 60 -14.595 -15.962 6.435 365 2HG ARG 60 HG1 ARG 60 -15.171 -17.295 7.434 366 1HD ARG 60 HD2 ARG 60 -15.612 -15.595 9.331 367 2HD ARG 60 HD1 ARG 60 -15.176 -14.314 8.202 368 HE ARG 60 HE ARG 60 -17.986 -15.107 8.386 369 1HH1 ARG 60 HH21 ARG 60 -16.716 -13.664 6.572 370 2HH1 ARG 60 HH22 ARG 60 -16.001 -14.685 5.023 371 1HH2 ARG 60 HH11 ARG 60 -19.034 -14.986 7.281 372 2HH2 ARG 60 HH12 ARG 60 -19.019 -16.356 5.771 373 H GLY 61 HN GLY 61 -11.570 -19.420 7.061 374 1HA GLY 61 HA2 GLY 61 -12.540 -21.450 6.312 375 2HA GLY 61 HA1 GLY 61 -14.032 -20.562 5.982 376 H ALA 62 HN ALA 62 -13.434 -18.793 4.179 377 HA ALA 62 HA ALA 62 -13.232 -20.162 1.718 378 1HB ALA 62 HB1 ALA 62 -13.370 -17.837 0.913 379 2HB ALA 62 HB2 ALA 62 -13.610 -17.364 2.661 380 3HB ALA 62 HB3 ALA 62 -12.524 -17.501 1.175 381 H SER 63 HN SER 63 -10.808 -18.896 3.853 382 HA SER 63 HA SER 63 -8.631 -19.545 1.917 383 1HB SER 63 HB2 SER 63 -8.132 -17.488 2.948 384 2HB SER 63 HB1 SER 63 -8.762 -18.011 4.509 385 HG SER 63 HG SER 63 -6.808 -19.656 3.759 386 H GLY 64 HN GLY 64 -10.505 -21.359 3.591 387 1HA GLY 64 HA2 GLY 64 -10.210 -23.582 4.392 388 2HA GLY 64 HA1 GLY 64 -8.461 -23.360 4.269 389 H MET 65 HN MET 65 -10.824 -21.413 5.988 390 HA MET 65 HA MET 65 -10.956 -20.757 8.259 391 1HB MET 65 HB2 MET 65 -9.793 -23.519 8.619 392 2HB MET 65 HB1 MET 65 -10.436 -22.512 9.916 393 1HG MET 65 HG2 MET 65 -12.607 -22.406 8.652 394 2HG MET 65 HG1 MET 65 -11.950 -23.616 7.541 395 1HE MET 65 HE1 MET 65 -10.736 -26.407 9.760 396 2HE MET 65 HE2 MET 65 -11.134 -26.004 7.998 397 3HE MET 65 HE3 MET 65 -10.176 -25.649 9.537 398 H SER 66 HN SER 66 -9.027 -19.458 7.211 399 HA SER 66 HA SER 66 -6.957 -19.365 9.313 400 1HB SER 66 HB2 SER 66 -5.983 -20.882 7.605 401 2HB SER 66 HB1 SER 66 -6.192 -19.625 6.390 402 HG SER 66 HG SER 66 -4.542 -18.585 7.195 403 H LYS 67 HN LYS 67 -7.859 -17.390 9.847 404 HA LYS 67 HA LYS 67 -7.804 -15.266 7.750 405 1HB LYS 67 HB2 LYS 67 -9.939 -15.361 8.839 406 2HB LYS 67 HB1 LYS 67 -9.196 -15.419 10.438 407 1HG LYS 67 HG2 LYS 67 -8.222 -13.126 9.930 408 2HG LYS 67 HG1 LYS 67 -9.280 -13.088 8.518 409 1HD LYS 67 HD2 LYS 67 -10.146 -13.394 11.400 410 2HD LYS 67 HD1 LYS 67 -10.386 -11.970 10.384 411 1HE LYS 67 HE2 LYS 67 -12.454 -13.050 10.194 412 2HE LYS 67 HE1 LYS 67 -11.575 -13.667 8.789 413 1HZ LYS 67 HZ1 LYS 67 -11.011 -15.560 10.613 414 2HZ LYS 67 HZ2 LYS 67 -12.661 -15.152 11.137 415 3HZ LYS 67 HZ3 LYS 67 -11.562 -15.789 9.890 416 H ASN 68 HN ASN 68 -6.656 -13.412 8.087 417 HA ASN 68 HA ASN 68 -4.073 -13.433 9.030 418 1HB ASN 68 HB2 ASN 68 -6.026 -11.136 9.135 419 2HB ASN 68 HB1 ASN 68 -4.290 -10.967 9.377 420 1HD2 ASN 68 HD21 ASN 68 -6.210 -12.868 7.044 421 2HD2 ASN 68 HD22 ASN 68 -5.466 -12.232 5.667 422 H THR 69 HN THR 69 -3.918 -14.631 10.894 423 HA THR 69 HA THR 69 -3.964 -15.040 13.218 424 HB THR 69 HB THR 69 -3.389 -12.123 12.851 425 HG1 THR 69 HG1 THR 69 -2.097 -14.477 13.115 426 1HG2 THR 69 HG21 THR 69 -2.860 -13.143 15.508 427 2HG2 THR 69 HG22 THR 69 -3.714 -11.606 15.139 428 3HG2 THR 69 HG23 THR 69 -3.761 -13.424 15.570 429 H ASP 70 HN ASP 70 -5.220 -11.943 14.030 430 HA ASP 70 HA ASP 70 -8.045 -12.523 13.870 431 1HB ASP 70 HB2 ASP 70 -7.411 -14.207 15.622 432 2HB ASP 70 HB1 ASP 70 -6.817 -12.893 16.630 433 H PHE 71 HN PHE 71 -5.586 -10.570 14.124 434 HA PHE 71 HA PHE 71 -6.058 -8.519 15.994 435 1HB PHE 71 HB2 PHE 71 -5.160 -8.370 13.113 436 2HB PHE 71 HB1 PHE 71 -5.080 -7.011 14.225 437 HD1 PHE 71 HD1 PHE 71 -3.843 -7.505 16.507 438 HD2 PHE 71 HD2 PHE 71 -3.282 -9.790 12.889 439 HE1 PHE 71 HE1 PHE 71 -1.644 -8.270 17.336 440 HE2 PHE 71 HE2 PHE 71 -1.081 -10.562 13.726 441 HZ PHE 71 HZ PHE 71 -0.257 -9.804 15.952 442 H LEU 72 HN LEU 72 -7.832 -9.442 13.170 443 HA LEU 72 HA LEU 72 -9.148 -7.091 12.455 444 1HB LEU 72 HB2 LEU 72 -9.992 -9.987 12.375 445 2HB LEU 72 HB1 LEU 72 -11.195 -8.747 12.055 446 HG LEU 72 HG LEU 72 -9.907 -9.709 10.052 447 1HD1 LEU 72 HD11 LEU 72 -10.618 -7.619 9.087 448 2HD1 LEU 72 HD12 LEU 72 -10.666 -6.813 10.722 449 3HD1 LEU 72 HD13 LEU 72 -9.777 -7.182 9.133 450 1HD2 LEU 72 HD21 LEU 72 -7.576 -9.105 11.339 451 2HD2 LEU 72 HD22 LEU 72 -7.588 -8.843 9.531 452 3HD2 LEU 72 HD23 LEU 72 -7.585 -8.157 11.242 453 H GLU 73 HN GLU 73 -10.155 -9.397 14.956 454 HA GLU 73 HA GLU 73 -12.394 -7.913 15.941 455 1HB GLU 73 HB2 GLU 73 -12.322 -9.330 17.825 456 2HB GLU 73 HB1 GLU 73 -11.568 -10.309 16.570 457 1HG GLU 73 HG2 GLU 73 -9.326 -9.351 17.418 458 2HG GLU 73 HG1 GLU 73 -10.235 -8.820 18.835 459 H GLN 74 HN GLN 74 -8.937 -7.614 16.533 460 HA GLN 74 HA GLN 74 -9.218 -5.746 18.770 461 1HB GLN 74 HB2 GLN 74 -6.928 -6.626 17.014 462 2HB GLN 74 HB1 GLN 74 -6.731 -5.270 18.128 463 1HG GLN 74 HG2 GLN 74 -7.762 -7.988 18.952 464 2HG GLN 74 HG1 GLN 74 -6.072 -7.515 19.076 465 1HE2 GLN 74 HE21 GLN 74 -8.660 -7.904 20.954 466 2HE2 GLN 74 HE22 GLN 74 -8.428 -6.675 22.094 467 H VAL 75 HN VAL 75 -8.303 -5.385 15.336 468 HA VAL 75 HA VAL 75 -8.378 -2.458 15.538 469 HB VAL 75 HB VAL 75 -7.632 -2.412 13.348 470 1HG1 VAL 75 HG11 VAL 75 -6.147 -4.607 13.193 471 2HG1 VAL 75 HG12 VAL 75 -6.098 -3.911 14.895 472 3HG1 VAL 75 HG13 VAL 75 -6.664 -5.205 13.726 473 1HG2 VAL 75 HG21 VAL 75 -9.213 -4.940 12.683 474 2HG2 VAL 75 HG22 VAL 75 -9.317 -3.294 11.830 475 3HG2 VAL 75 HG23 VAL 75 -8.458 -4.888 12.102 476 H SER 76 HN SER 76 -10.390 -4.962 14.019 477 HA SER 76 HA SER 76 -12.421 -3.299 12.933 478 1HB SER 76 HB2 SER 76 -13.870 -5.211 12.999 479 2HB SER 76 HB1 SER 76 -12.249 -5.841 12.720 480 HG SER 76 HG SER 76 -13.664 -5.700 15.174 481 H SER 77 HN SER 77 -11.578 -3.955 16.205 482 HA SER 77 HA SER 77 -14.017 -3.525 17.596 483 1HB SER 77 HB2 SER 77 -11.793 -4.071 18.667 484 2HB SER 77 HB1 SER 77 -11.316 -2.395 18.415 485 HG SER 77 HG SER 77 -12.523 -1.839 20.033 486 H HIS 78 HN HIS 78 -11.885 -1.260 15.983 487 HA HIS 78 HA HIS 78 -13.998 0.761 15.917 488 1HB HIS 78 HB2 HIS 78 -13.000 1.062 18.225 489 2HB HIS 78 HB1 HIS 78 -11.448 1.415 17.464 490 HD1 HIS 78 HD1 HIS 78 -15.061 2.704 17.132 491 HD2 HIS 78 HD2 HIS 78 -11.134 4.101 17.067 492 HE1 HIS 78 HE1 HIS 78 -15.191 5.225 16.869 493 HE2 HIS 78 HE2 HIS 78 -12.826 6.098 16.854 494 H PHE 79 HN PHE 79 -10.925 -0.511 15.091 495 HA PHE 79 HA PHE 79 -10.597 1.574 12.935 496 1HB PHE 79 HB2 PHE 79 -8.550 -0.187 14.275 497 2HB PHE 79 HB1 PHE 79 -8.217 0.931 12.959 498 HD1 PHE 79 HD1 PHE 79 -8.887 0.542 16.521 499 HD2 PHE 79 HD2 PHE 79 -8.388 3.416 13.344 500 HE1 PHE 79 HE1 PHE 79 -8.649 2.343 18.194 501 HE2 PHE 79 HE2 PHE 79 -8.142 5.219 15.023 502 HZ PHE 79 HZ PHE 79 -8.272 4.687 17.452 503 H GLY 80 HN GLY 80 -9.469 0.658 10.995 504 1HA GLY 80 HA2 GLY 80 -10.555 -2.044 10.310 505 2HA GLY 80 HA1 GLY 80 -10.284 -0.757 9.137 506 H GLN 81 HN GLN 81 -9.228 -3.589 9.595 507 HA GLN 81 HA GLN 81 -6.504 -3.725 10.173 508 1HB GLN 81 HB2 GLN 81 -6.421 -5.674 8.851 509 2HB GLN 81 HB1 GLN 81 -8.134 -5.553 9.254 510 1HG GLN 81 HG2 GLN 81 -8.341 -4.191 7.065 511 2HG GLN 81 HG1 GLN 81 -6.767 -4.866 6.658 512 1HE2 GLN 81 HE21 GLN 81 -6.660 -7.100 6.132 513 2HE2 GLN 81 HE22 GLN 81 -8.035 -8.063 5.921 514 H SER 82 HN SER 82 -8.015 -1.928 7.679 515 HA SER 82 HA SER 82 -5.297 -1.270 6.555 516 1HB SER 82 HB2 SER 82 -6.814 -2.521 4.953 517 2HB SER 82 HB1 SER 82 -7.927 -1.159 5.037 518 HG SER 82 HG SER 82 -6.120 0.149 4.358 519 H ASP 83 HN ASP 83 -7.227 -0.182 8.692 520 HA ASP 83 HA ASP 83 -8.473 2.244 8.138 521 1HB ASP 83 HB2 ASP 83 -8.000 1.147 10.431 522 2HB ASP 83 HB1 ASP 83 -6.481 2.039 10.395 523 H ASN 84 HN ASN 84 -7.752 3.626 6.663 524 HA ASN 84 HA ASN 84 -6.331 5.150 5.525 525 1HB ASN 84 HB2 ASN 84 -5.065 5.300 8.265 526 2HB ASN 84 HB1 ASN 84 -4.838 6.463 6.959 527 1HD2 ASN 84 HD21 ASN 84 -5.976 7.046 9.565 528 2HD2 ASN 84 HD22 ASN 84 -7.563 7.573 9.309 529 H ILE 85 HN ILE 85 -5.594 3.069 4.496 530 HA ILE 85 HA ILE 85 -2.649 2.946 4.802 531 HB ILE 85 HB ILE 85 -4.568 0.665 5.112 532 1HG1 ILE 85 HG12 ILE 85 -2.116 1.639 6.610 533 2HG1 ILE 85 HG11 ILE 85 -3.803 1.807 7.121 534 1HG2 ILE 85 HG21 ILE 85 -2.716 -0.186 3.482 535 2HG2 ILE 85 HG22 ILE 85 -1.467 0.198 4.787 536 3HG2 ILE 85 HG23 ILE 85 -2.871 -0.804 4.190 537 1HD1 ILE 85 HD11 ILE 85 -2.278 -0.742 7.252 538 2HD1 ILE 85 HD12 ILE 85 -3.833 -0.318 8.139 539 3HD1 ILE 85 HD13 ILE 85 -2.978 -1.018 6.668 540 H ILE 86 HN ILE 86 -1.707 1.689 2.937 541 HA ILE 86 HA ILE 86 -3.316 2.228 0.474 542 HB ILE 86 HB ILE 86 -0.295 1.918 0.742 543 1HG1 ILE 86 HG12 ILE 86 -2.044 4.451 0.568 544 2HG1 ILE 86 HG11 ILE 86 -1.172 3.915 2.011 545 1HG2 ILE 86 HG21 ILE 86 -1.719 3.161 -1.619 546 2HG2 ILE 86 HG22 ILE 86 -0.190 2.153 -1.637 547 3HG2 ILE 86 HG23 ILE 86 -2.028 2.266 -1.639 548 1HD1 ILE 86 HD11 ILE 86 0.199 5.555 0.376 549 2HD1 ILE 86 HD12 ILE 86 1.128 4.022 0.767 550 3HD1 ILE 86 HD13 ILE 86 0.179 5.058 -0.434 551 H VAL 87 HN VAL 87 -4.223 0.407 -0.174 552 HA VAL 87 HA VAL 87 -2.645 -2.125 0.033 553 HB VAL 87 HB VAL 87 -5.647 -1.820 -0.183 554 1HG1 VAL 87 HG11 VAL 87 -4.338 -4.361 0.805 555 2HG1 VAL 87 HG12 VAL 87 -5.856 -4.153 -0.218 556 3HG1 VAL 87 HG13 VAL 87 -4.037 -4.243 -0.098 557 1HG2 VAL 87 HG21 VAL 87 -4.690 -1.000 2.130 558 2HG2 VAL 87 HG22 VAL 87 -5.639 -2.554 2.401 559 3HG2 VAL 87 HG23 VAL 87 -4.035 -1.673 2.316 560 H GLY 88 HN GLY 88 -3.189 -3.684 -1.711 561 1HA GLY 88 HA2 GLY 88 -4.017 -2.497 -4.301 562 2HA GLY 88 HA1 GLY 88 -2.366 -3.115 -4.186 563 H CYS 89 HN CYS 89 -4.829 -3.976 -5.698 564 HA CYS 89 HA CYS 89 -5.252 -6.689 -4.598 565 1HB CYS 89 HB2 CYS 89 -6.989 -5.003 -5.885 566 2HB CYS 89 HB1 CYS 89 -6.503 -6.065 -7.195 567 HG CYS 89 HG CYS 89 -7.249 -8.099 -5.521 568 H GLN 90 HN GLN 90 -4.517 -8.506 -5.485 569 HA GLN 90 HA GLN 90 -2.080 -8.795 -6.637 570 1HB GLN 90 HB2 GLN 90 -3.152 -10.827 -7.952 571 2HB GLN 90 HB1 GLN 90 -3.029 -10.836 -6.194 572 1HG GLN 90 HG2 GLN 90 -5.471 -9.687 -7.492 573 2HG GLN 90 HG1 GLN 90 -5.327 -11.432 -7.316 574 1HE2 GLN 90 HE21 GLN 90 -5.333 -12.299 -5.153 575 2HE2 GLN 90 HE22 GLN 90 -5.829 -11.379 -3.822 576 H SER 91 HN SER 91 -4.492 -9.550 -8.988 577 HA SER 91 HA SER 91 -3.617 -7.374 -10.803 578 1HB SER 91 HB2 SER 91 -2.850 -8.856 -12.539 579 2HB SER 91 HB1 SER 91 -1.997 -9.309 -11.066 580 HG SER 91 HG SER 91 -2.934 -11.177 -11.160 581 H GLY 92 HN GLY 92 -4.934 -7.282 -12.721 582 1HA GLY 92 HA2 GLY 92 -6.903 -7.907 -14.001 583 2HA GLY 92 HA1 GLY 92 -7.496 -8.807 -12.603 584 H GLY 93 HN GLY 93 -8.001 -6.131 -14.355 585 1HA GLY 93 HA2 GLY 93 -8.437 -3.995 -12.536 586 2HA GLY 93 HA1 GLY 93 -9.327 -4.222 -14.046 587 H ARG 94 HN ARG 94 -10.452 -6.742 -13.434 588 HA ARG 94 HA ARG 94 -12.843 -5.940 -12.046 589 1HB ARG 94 HB2 ARG 94 -11.783 -8.727 -12.624 590 2HB ARG 94 HB1 ARG 94 -13.428 -8.355 -12.079 591 1HG ARG 94 HG2 ARG 94 -13.641 -6.825 -14.102 592 2HG ARG 94 HG1 ARG 94 -12.071 -7.416 -14.613 593 1HD ARG 94 HD2 ARG 94 -13.629 -8.552 -15.841 594 2HD ARG 94 HD1 ARG 94 -12.974 -9.707 -14.616 595 HE ARG 94 HE ARG 94 -15.188 -9.026 -13.129 596 1HH1 ARG 94 HH21 ARG 94 -15.817 -7.957 -15.438 597 2HH1 ARG 94 HH22 ARG 94 -15.945 -9.231 -16.964 598 1HH2 ARG 94 HH11 ARG 94 -16.636 -9.384 -13.237 599 2HH2 ARG 94 HH12 ARG 94 -17.145 -11.102 -14.210 600 H SER 95 HN SER 95 -9.852 -7.353 -11.012 601 HA SER 95 HA SER 95 -10.703 -8.390 -8.476 602 1HB SER 95 HB2 SER 95 -7.998 -7.157 -9.077 603 2HB SER 95 HB1 SER 95 -8.367 -8.354 -7.842 604 HG SER 95 HG SER 95 -7.619 -8.790 -10.309 605 H ILE 96 HN ILE 96 -9.641 -5.196 -9.484 606 HA ILE 96 HA ILE 96 -9.556 -4.036 -6.863 607 HB ILE 96 HB ILE 96 -8.613 -3.126 -9.102 608 1HG1 ILE 96 HG12 ILE 96 -10.250 -1.128 -7.490 609 2HG1 ILE 96 HG11 ILE 96 -8.766 -1.883 -6.860 610 1HG2 ILE 96 HG21 ILE 96 -11.413 -2.018 -9.543 611 2HG2 ILE 96 HG22 ILE 96 -10.002 -2.036 -10.734 612 3HG2 ILE 96 HG23 ILE 96 -11.364 -2.906 -9.878 613 1HD1 ILE 96 HD11 ILE 96 -7.638 -0.876 -9.008 614 2HD1 ILE 96 HD12 ILE 96 -9.134 0.172 -9.189 615 3HD1 ILE 96 HD13 ILE 96 -7.609 -0.269 -8.265 616 H LYS 97 HN LYS 97 -12.156 -4.666 -9.127 617 HA LYS 97 HA LYS 97 -14.147 -3.017 -7.775 618 1HB LYS 97 HB2 LYS 97 -14.276 -5.261 -9.802 619 2HB LYS 97 HB1 LYS 97 -15.749 -4.610 -9.073 620 1HG LYS 97 HG2 LYS 97 -15.329 -2.425 -9.924 621 2HG LYS 97 HG1 LYS 97 -13.667 -2.828 -10.350 622 1HD LYS 97 HD2 LYS 97 -15.342 -2.753 -12.274 623 2HD LYS 97 HD1 LYS 97 -14.363 -4.216 -12.151 624 1HE LYS 97 HE2 LYS 97 -16.150 -5.448 -11.193 625 2HE LYS 97 HE1 LYS 97 -17.074 -3.976 -10.875 626 1HZ LYS 97 HZ1 LYS 97 -16.555 -4.508 -13.693 627 2HZ LYS 97 HZ2 LYS 97 -17.913 -5.372 -12.934 628 3HZ LYS 97 HZ3 LYS 97 -17.170 -3.842 -13.458 629 H ALA 98 HN ALA 98 -13.278 -6.448 -7.679 630 HA ALA 98 HA ALA 98 -15.283 -7.284 -5.834 631 1HB ALA 98 HB1 ALA 98 -12.772 -8.549 -6.779 632 2HB ALA 98 HB2 ALA 98 -13.450 -9.175 -5.176 633 3HB ALA 98 HB3 ALA 98 -13.622 -8.937 -6.983 634 H THR 99 HN THR 99 -12.233 -5.709 -5.383 635 HA THR 99 HA THR 99 -12.311 -5.924 -2.444 636 HB THR 99 HB THR 99 -10.327 -4.168 -3.031 637 HG1 THR 99 HG1 THR 99 -9.608 -4.430 -5.007 638 1HG2 THR 99 HG21 THR 99 -8.974 -6.436 -3.252 639 2HG2 THR 99 HG22 THR 99 -10.095 -6.467 -1.809 640 3HG2 THR 99 HG23 THR 99 -9.651 -7.060 -3.507 641 H THR 100 HN THR 100 -12.243 -3.276 -4.798 642 HA THR 100 HA THR 100 -12.861 -1.119 -3.117 643 HB THR 100 HB THR 100 -13.737 -1.605 -5.980 644 HG1 THR 100 HG1 THR 100 -11.695 -1.660 -6.248 645 1HG2 THR 100 HG21 THR 100 -14.043 0.818 -4.394 646 2HG2 THR 100 HG22 THR 100 -13.092 1.125 -5.940 647 3HG2 THR 100 HG23 THR 100 -14.658 0.633 -5.105 648 H ASP 101 HN ASP 101 -15.069 -3.360 -4.746 649 HA ASP 101 HA ASP 101 -17.548 -2.166 -3.759 650 1HB ASP 101 HB2 ASP 101 -16.893 -4.997 -4.666 651 2HB ASP 101 HB1 ASP 101 -18.515 -4.390 -4.349 652 H LEU 102 HN LEU 102 -15.523 -4.895 -2.748 653 HA LEU 102 HA LEU 102 -17.119 -5.591 -0.469 654 1HB LEU 102 HB2 LEU 102 -15.510 -7.180 -1.479 655 2HB LEU 102 HB1 LEU 102 -14.182 -6.120 -1.033 656 HG LEU 102 HG LEU 102 -14.644 -8.156 0.485 657 1HD1 LEU 102 HD11 LEU 102 -14.266 -6.470 2.534 658 2HD1 LEU 102 HD12 LEU 102 -13.128 -6.075 1.154 659 3HD1 LEU 102 HD13 LEU 102 -14.624 -5.667 2.172 660 1HD2 LEU 102 HD21 LEU 102 -16.873 -8.131 1.490 661 2HD2 LEU 102 HD22 LEU 102 -16.812 -6.328 1.842 662 3HD2 LEU 102 HD23 LEU 102 -17.200 -7.706 0.697 663 H LEU 103 HN LEU 103 -14.293 -3.535 -0.873 664 HA LEU 103 HA LEU 103 -14.004 -2.813 1.898 665 1HB LEU 103 HB2 LEU 103 -13.071 -1.763 -0.748 666 2HB LEU 103 HB1 LEU 103 -13.014 -0.649 0.614 667 HG LEU 103 HG LEU 103 -11.675 -2.305 1.887 668 1HD1 LEU 103 HD11 LEU 103 -11.667 -4.072 -0.600 669 2HD1 LEU 103 HD12 LEU 103 -11.031 -4.505 1.075 670 3HD1 LEU 103 HD13 LEU 103 -12.437 -4.236 -0.058 671 1HD2 LEU 103 HD21 LEU 103 -9.692 -1.499 0.619 672 2HD2 LEU 103 HD22 LEU 103 -10.442 -1.837 -1.034 673 3HD2 LEU 103 HD23 LEU 103 -10.233 -0.739 0.432 674 H HIS 104 HN HIS 104 -15.978 -1.536 -0.733 675 HA HIS 104 HA HIS 104 -16.980 0.782 0.695 676 1HB HIS 104 HB2 HIS 104 -17.132 0.496 -1.784 677 2HB HIS 104 HB1 HIS 104 -18.282 -0.822 -1.551 678 HD1 HIS 104 HD1 HIS 104 -17.948 2.858 -0.522 679 HD2 HIS 104 HD2 HIS 104 -20.880 0.069 -1.520 680 HE1 HIS 104 HE1 HIS 104 -20.154 4.107 -0.551 681 HE2 HIS 104 HE2 HIS 104 -21.945 2.446 -1.178 682 H ALA 105 HN ALA 105 -17.559 -2.571 0.927 683 HA ALA 105 HA ALA 105 -20.251 -2.570 1.901 684 1HB ALA 105 HB1 ALA 105 -19.194 -4.858 2.987 685 2HB ALA 105 HB2 ALA 105 -18.970 -4.742 1.155 686 3HB ALA 105 HB3 ALA 105 -18.289 -4.620 2.843 687 H GLY 106 HN GLY 106 -17.302 -1.504 3.221 688 1HA GLY 106 HA2 GLY 106 -17.831 0.093 5.200 689 2HA GLY 106 HA1 GLY 106 -18.447 -1.366 5.983 690 H PHE 107 HN PHE 107 -15.603 -0.974 3.938 691 HA PHE 107 HA PHE 107 -13.788 -1.305 6.258 692 1HB PHE 107 HB2 PHE 107 -14.123 -3.382 4.098 693 2HB PHE 107 HB1 PHE 107 -12.683 -3.279 5.107 694 HD1 PHE 107 HD1 PHE 107 -16.221 -4.287 4.954 695 HD2 PHE 107 HD2 PHE 107 -12.862 -3.610 7.579 696 HE1 PHE 107 HE1 PHE 107 -17.331 -5.613 6.729 697 HE2 PHE 107 HE2 PHE 107 -13.979 -4.926 9.347 698 HZ PHE 107 HZ PHE 107 -16.214 -5.933 8.930 699 H THR 108 HN THR 108 -14.255 0.705 4.150 700 HA THR 108 HA THR 108 -11.926 0.456 2.355 701 HB THR 108 HB THR 108 -13.915 1.507 1.436 702 HG1 THR 108 HG1 THR 108 -11.723 2.290 1.066 703 1HG2 THR 108 HG21 THR 108 -14.579 3.800 2.583 704 2HG2 THR 108 HG22 THR 108 -14.912 2.380 3.695 705 3HG2 THR 108 HG23 THR 108 -13.914 3.877 3.273 706 H GLY 109 HN GLY 109 -11.786 3.521 2.653 707 1HA GLY 109 HA2 GLY 109 -10.607 5.127 3.944 708 2HA GLY 109 HA1 GLY 109 -10.494 3.950 5.259 709 H VAL 110 HN VAL 110 -9.584 3.014 2.072 710 HA VAL 110 HA VAL 110 -6.696 3.442 2.656 711 HB VAL 110 HB VAL 110 -6.254 1.285 3.043 712 1HG1 VAL 110 HG11 VAL 110 -8.787 -0.008 3.191 713 2HG1 VAL 110 HG12 VAL 110 -8.206 1.101 4.534 714 3HG1 VAL 110 HG13 VAL 110 -9.246 0.817 3.045 715 1HG2 VAL 110 HG21 VAL 110 -6.669 -0.252 1.121 716 2HG2 VAL 110 HG22 VAL 110 -8.213 0.610 0.611 717 3HG2 VAL 110 HG23 VAL 110 -6.372 0.532 0.676 718 H LYS 111 HN LYS 111 -5.375 2.909 0.716 719 HA LYS 111 HA LYS 111 -6.874 3.732 -1.727 720 1HB LYS 111 HB2 LYS 111 -3.900 3.771 -1.086 721 2HB LYS 111 HB1 LYS 111 -4.594 4.296 -2.623 722 1HG LYS 111 HG2 LYS 111 -5.995 5.952 -1.383 723 2HG LYS 111 HG1 LYS 111 -5.172 5.494 0.111 724 1HD LYS 111 HD2 LYS 111 -2.991 6.108 -0.975 725 2HD LYS 111 HD1 LYS 111 -3.896 6.700 -2.366 726 1HE LYS 111 HE2 LYS 111 -3.956 7.780 0.458 727 2HE LYS 111 HE1 LYS 111 -3.460 8.632 -1.015 728 1HZ LYS 111 HZ1 LYS 111 -6.286 7.825 -0.592 729 2HZ LYS 111 HZ2 LYS 111 -5.681 9.498 -0.696 730 3HZ LYS 111 HZ3 LYS 111 -6.079 7.963 -1.498 731 H ASP 112 HN ASP 112 -6.520 2.634 -3.677 732 HA ASP 112 HA ASP 112 -5.803 -0.259 -3.323 733 1HB ASP 112 HB2 ASP 112 -8.030 1.028 -4.617 734 2HB ASP 112 HB1 ASP 112 -7.102 0.136 -5.815 735 H ILE 113 HN ILE 113 -3.870 -0.698 -4.092 736 HA ILE 113 HA ILE 113 -2.757 0.956 -6.301 737 HB ILE 113 HB ILE 113 -1.360 -1.071 -4.519 738 1HG1 ILE 113 HG12 ILE 113 -2.484 1.381 -3.773 739 2HG1 ILE 113 HG11 ILE 113 -1.186 0.534 -2.933 740 1HG2 ILE 113 HG21 ILE 113 0.156 -0.520 -6.361 741 2HG2 ILE 113 HG22 ILE 113 -0.502 1.156 -6.632 742 3HG2 ILE 113 HG23 ILE 113 0.649 0.011 -5.736 743 1HD1 ILE 113 HD11 ILE 113 -0.769 3.046 -4.201 744 2HD1 ILE 113 HD12 ILE 113 0.619 1.920 -3.785 745 3HD1 ILE 113 HD13 ILE 113 -0.544 2.627 -5.028 746 H VAL 114 HN VAL 114 -2.624 0.119 -8.292 747 HA VAL 114 HA VAL 114 -3.217 -2.782 -8.651 748 HB VAL 114 HB VAL 114 -3.217 -0.433 -10.591 749 1HG1 VAL 114 HG11 VAL 114 -2.835 -2.424 -12.080 750 2HG1 VAL 114 HG12 VAL 114 -3.807 -3.552 -10.998 751 3HG1 VAL 114 HG13 VAL 114 -3.747 -2.234 -12.284 752 1HG2 VAL 114 HG21 VAL 114 -5.380 -1.513 -8.997 753 2HG2 VAL 114 HG22 VAL 114 -5.585 -0.290 -10.332 754 3HG2 VAL 114 HG23 VAL 114 -5.660 -2.046 -9.738 755 H GLY 115 HN GLY 115 -1.797 -4.129 -9.491 756 1HA GLY 115 HA2 GLY 115 0.172 -4.906 -10.581 757 2HA GLY 115 HA1 GLY 115 0.641 -3.228 -10.858 758 H GLY 116 HN GLY 116 2.742 -3.724 -10.115 759 1HA GLY 116 HA2 GLY 116 4.312 -3.286 -8.341 760 2HA GLY 116 HA1 GLY 116 3.010 -3.543 -7.177 761 H TYR 117 HN TYR 117 2.069 -5.937 -7.905 762 HA TYR 117 HA TYR 117 3.659 -7.862 -6.618 763 1HB TYR 117 HB2 TYR 117 1.273 -8.122 -7.041 764 2HB TYR 117 HB1 TYR 117 1.570 -8.177 -8.773 765 HD1 TYR 117 HD1 TYR 117 2.929 -9.904 -5.716 766 HD2 TYR 117 HD2 TYR 117 1.414 -10.321 -9.730 767 HE1 TYR 117 HE1 TYR 117 3.175 -12.349 -5.557 768 HE2 TYR 117 HE2 TYR 117 1.672 -12.772 -9.567 769 HH TYR 117 HH TYR 117 3.517 -14.309 -7.578 770 H SER 118 HN SER 118 3.179 -7.459 -10.107 771 HA SER 118 HA SER 118 5.276 -9.339 -10.810 772 1HB SER 118 HB2 SER 118 4.880 -8.666 -13.084 773 2HB SER 118 HB1 SER 118 3.311 -8.707 -12.284 774 HG SER 118 HG SER 118 4.561 -6.663 -13.476 775 H ALA 119 HN ALA 119 5.101 -5.891 -10.370 776 HA ALA 119 HA ALA 119 7.735 -5.372 -11.442 777 1HB ALA 119 HB1 ALA 119 7.114 -3.042 -10.719 778 2HB ALA 119 HB2 ALA 119 5.421 -3.767 -10.520 779 3HB ALA 119 HB3 ALA 119 7.001 -3.221 -9.794 780 H TRP 120 HN TRP 120 6.455 -5.451 -8.134 781 HA TRP 120 HA TRP 120 8.999 -5.259 -6.809 782 1HB TRP 120 HB2 TRP 120 7.049 -4.895 -5.456 783 2HB TRP 120 HB1 TRP 120 6.290 -6.390 -5.989 784 HD1 TRP 120 HD1 TRP 120 8.903 -5.013 -3.524 785 HE1 TRP 120 HE1 TRP 120 9.542 -6.908 -1.904 786 HE3 TRP 120 HE3 TRP 120 6.510 -8.952 -5.685 787 HZ2 TRP 120 HZ2 TRP 120 9.116 -9.717 -1.546 788 HZ3 TRP 120 HZ3 TRP 120 6.624 -11.220 -4.720 789 HH2 TRP 120 HH2 TRP 120 7.939 -11.600 -2.636 790 H ALA 121 HN ALA 121 7.169 -7.912 -8.159 791 HA ALA 121 HA ALA 121 8.576 -10.108 -7.099 792 1HB ALA 121 HB1 ALA 121 7.889 -10.789 -9.798 793 2HB ALA 121 HB2 ALA 121 6.594 -10.721 -8.475 794 3HB ALA 121 HB3 ALA 121 7.450 -9.954 -9.890 795 H LYS 122 HN LYS 122 9.424 -7.900 -9.682 796 HA LYS 122 HA LYS 122 11.725 -9.295 -10.680 797 1HB LYS 122 HB2 LYS 122 11.202 -6.294 -10.532 798 2HB LYS 122 HB1 LYS 122 12.433 -7.068 -11.537 799 1HG LYS 122 HG2 LYS 122 10.492 -8.446 -12.533 800 2HG LYS 122 HG1 LYS 122 9.436 -7.252 -11.773 801 1HD LYS 122 HD2 LYS 122 11.614 -6.680 -13.795 802 2HD LYS 122 HD1 LYS 122 9.876 -6.574 -14.077 803 1HE LYS 122 HE2 LYS 122 9.909 -4.871 -12.078 804 2HE LYS 122 HE1 LYS 122 11.651 -4.812 -12.390 805 1HZ LYS 122 HZ1 LYS 122 10.796 -4.249 -14.821 806 2HZ LYS 122 HZ2 LYS 122 9.340 -3.661 -13.985 807 3HZ LYS 122 HZ3 LYS 122 11.087 -3.517 -14.310 808 H ASN 123 HN ASN 123 11.123 -7.406 -7.816 809 HA ASN 123 HA ASN 123 13.767 -6.657 -7.015 810 1HB ASN 123 HB2 ASN 123 12.912 -6.458 -4.847 811 2HB ASN 123 HB1 ASN 123 11.470 -6.257 -5.836 812 1HD2 ASN 123 HD21 ASN 123 12.164 -7.503 -3.043 813 2HD2 ASN 123 HD22 ASN 123 11.280 -8.945 -3.053 814 H GLY 124 HN GLY 124 11.973 -9.645 -6.391 815 1HA GLY 124 HA2 GLY 124 12.750 -11.853 -6.070 816 2HA GLY 124 HA1 GLY 124 14.342 -11.311 -6.619 817 H LEU 125 HN LEU 125 12.892 -9.506 -4.091 818 HA LEU 125 HA LEU 125 14.648 -10.904 -2.099 819 1HB LEU 125 HB2 LEU 125 14.174 -7.918 -2.423 820 2HB LEU 125 HB1 LEU 125 15.009 -8.645 -1.047 821 HG LEU 125 HG LEU 125 15.907 -9.394 -3.803 822 1HD1 LEU 125 HD11 LEU 125 15.983 -6.768 -3.770 823 2HD1 LEU 125 HD12 LEU 125 17.150 -6.858 -2.350 824 3HD1 LEU 125 HD13 LEU 125 16.781 -7.127 -4.140 825 1HD2 LEU 125 HD21 LEU 125 17.013 -10.188 -1.475 826 2HD2 LEU 125 HD22 LEU 125 18.236 -9.491 -2.644 827 3HD2 LEU 125 HD23 LEU 125 17.238 -9.334 -1.102 828 HA PRO 126 HA PRO 126 10.559 -10.705 -0.170 829 1HB PRO 126 HB2 PRO 126 10.513 -13.315 0.694 830 2HB PRO 126 HB1 PRO 126 10.035 -12.802 -0.934 831 1HG PRO 126 HG2 PRO 126 12.331 -14.346 -0.098 832 2HG PRO 126 HG1 PRO 126 11.673 -14.084 -1.721 833 1HD PRO 126 HD2 PRO 126 13.954 -12.780 -0.455 834 2HD PRO 126 HD1 PRO 126 13.422 -12.700 -2.149 835 H THR 127 HN THR 127 10.616 -9.718 1.759 836 HA THR 127 HA THR 127 12.564 -10.550 3.829 837 HB THR 127 HB THR 127 10.575 -8.254 3.657 838 HG1 THR 127 HG1 THR 127 13.273 -7.815 3.789 839 1HG2 THR 127 HG21 THR 127 11.140 -8.105 6.041 840 2HG2 THR 127 HG22 THR 127 12.575 -9.267 5.872 841 3HG2 THR 127 HG23 THR 127 11.882 -7.593 5.770 842 H LYS 128 HN LYS 128 11.993 -11.875 5.403 843 HA LYS 128 HA LYS 128 9.466 -11.908 6.736 844 1HB LYS 128 HB2 LYS 128 8.501 -13.967 5.881 845 2HB LYS 128 HB1 LYS 128 8.805 -12.903 4.515 846 1HG LYS 128 HG2 LYS 128 10.596 -15.184 5.381 847 2HG LYS 128 HG1 LYS 128 9.510 -15.209 3.992 848 1HD LYS 128 HD2 LYS 128 10.798 -13.121 3.211 849 2HD LYS 128 HD1 LYS 128 12.010 -13.587 4.410 850 1HE LYS 128 HE2 LYS 128 11.986 -15.905 3.320 851 2HE LYS 128 HE1 LYS 128 11.056 -15.156 2.013 852 1HZ LYS 128 HZ1 LYS 128 13.049 -13.836 1.510 853 2HZ LYS 128 HZ2 LYS 128 13.862 -14.216 3.046 854 3HZ LYS 128 HZ3 LYS 128 13.380 -14.708 1.404 855 H ALA 129 HN ALA 129 9.535 -13.283 8.499 856 HA ALA 129 HA ALA 129 10.687 -14.335 10.276 857 1HB ALA 129 HB1 ALA 129 10.988 -16.137 7.960 858 2HB ALA 129 HB2 ALA 129 12.120 -16.490 9.371 859 3HB ALA 129 HB3 ALA 129 10.424 -16.384 8.686 Start of MODEL 3 1 H ALA 11 HN ALA 11 -6.980 13.615 15.125 2 HA ALA 11 HA ALA 11 -8.396 12.337 13.756 3 1HB ALA 11 HB1 ALA 11 -10.133 13.113 16.039 4 2HB ALA 11 HB2 ALA 11 -10.970 12.339 14.603 5 3HB ALA 11 HB3 ALA 11 -9.775 12.238 15.998 6 H GLU 12 HN GLU 12 -7.811 13.992 12.157 7 HA GLU 12 HA GLU 12 -10.279 15.198 11.030 8 1HB GLU 12 HB2 GLU 12 -7.660 16.706 11.218 9 2HB GLU 12 HB1 GLU 12 -9.150 17.280 10.478 10 1HG GLU 12 HG2 GLU 12 -8.811 16.585 13.411 11 2HG GLU 12 HG1 GLU 12 -8.858 18.221 12.749 12 H GLU 13 HN GLU 13 -9.724 13.043 9.954 13 HA GLU 13 HA GLU 13 -8.245 13.677 7.442 14 1HB GLU 13 HB2 GLU 13 -7.036 11.578 7.486 15 2HB GLU 13 HB1 GLU 13 -6.722 12.410 9.010 16 1HG GLU 13 HG2 GLU 13 -8.609 11.068 10.027 17 2HG GLU 13 HG1 GLU 13 -8.647 10.124 8.537 18 H SER 14 HN SER 14 -9.118 12.753 5.683 19 HA SER 14 HA SER 14 -11.807 11.564 5.933 20 1HB SER 14 HB2 SER 14 -12.002 11.888 3.561 21 2HB SER 14 HB1 SER 14 -11.185 13.319 4.189 22 HG SER 14 HG SER 14 -10.314 11.478 2.429 23 H ARG 15 HN ARG 15 -12.307 9.562 4.771 24 HA ARG 15 HA ARG 15 -10.070 7.695 4.212 25 1HB ARG 15 HB2 ARG 15 -11.269 5.973 5.739 26 2HB ARG 15 HB1 ARG 15 -10.215 7.167 6.503 27 1HG ARG 15 HG2 ARG 15 -12.229 8.555 6.934 28 2HG ARG 15 HG1 ARG 15 -13.230 7.304 6.200 29 1HD ARG 15 HD2 ARG 15 -12.222 5.761 7.869 30 2HD ARG 15 HD1 ARG 15 -11.741 7.251 8.781 31 HE ARG 15 HE ARG 15 -14.403 6.481 9.206 32 1HH1 ARG 15 HH21 ARG 15 -13.069 8.699 9.629 33 2HH1 ARG 15 HH22 ARG 15 -13.144 10.031 8.152 34 1HH2 ARG 15 HH11 ARG 15 -15.507 7.424 9.568 35 2HH2 ARG 15 HH12 ARG 15 -16.350 8.546 8.089 36 H VAL 16 HN VAL 16 -10.681 7.214 2.234 37 HA VAL 16 HA VAL 16 -13.290 5.844 1.885 38 HB VAL 16 HB VAL 16 -12.796 7.439 -0.437 39 1HG1 VAL 16 HG11 VAL 16 -15.212 7.107 0.103 40 2HG1 VAL 16 HG12 VAL 16 -14.971 7.431 1.897 41 3HG1 VAL 16 HG13 VAL 16 -15.191 8.059 0.178 42 1HG2 VAL 16 HG21 VAL 16 -12.942 9.264 1.959 43 2HG2 VAL 16 HG22 VAL 16 -11.385 8.965 1.037 44 3HG2 VAL 16 HG23 VAL 16 -13.082 9.684 1.113 45 HA PRO 17 HA PRO 17 -10.846 3.405 -0.833 46 1HB PRO 17 HB2 PRO 17 -12.680 2.682 -2.801 47 2HB PRO 17 HB1 PRO 17 -12.642 2.033 -1.154 48 1HG PRO 17 HG2 PRO 17 -14.596 3.754 -2.371 49 2HG PRO 17 HG1 PRO 17 -14.648 2.917 -0.812 50 1HD PRO 17 HD2 PRO 17 -14.035 5.725 -1.360 51 2HD PRO 17 HD1 PRO 17 -14.372 4.938 0.197 52 H SER 18 HN SER 18 -9.490 3.544 -2.520 53 HA SER 18 HA SER 18 -10.027 5.408 -4.776 54 1HB SER 18 HB2 SER 18 -8.818 6.692 -2.971 55 2HB SER 18 HB1 SER 18 -7.475 5.565 -3.152 56 HG SER 18 HG SER 18 -8.430 6.625 -5.500 57 H SER 19 HN SER 19 -8.814 4.952 -6.598 58 HA SER 19 HA SER 19 -7.579 2.228 -6.627 59 1HB SER 19 HB2 SER 19 -7.978 2.264 -9.014 60 2HB SER 19 HB1 SER 19 -9.463 2.746 -8.200 61 HG SER 19 HG SER 19 -7.700 4.776 -8.825 62 H VAL 20 HN VAL 20 -5.529 1.935 -7.220 63 HA VAL 20 HA VAL 20 -3.940 4.161 -8.312 64 HB VAL 20 HB VAL 20 -3.591 4.744 -6.100 65 1HG1 VAL 20 HG11 VAL 20 -3.318 2.593 -4.353 66 2HG1 VAL 20 HG12 VAL 20 -5.009 2.822 -5.078 67 3HG1 VAL 20 HG13 VAL 20 -3.424 1.926 -5.037 68 1HG2 VAL 20 HG21 VAL 20 -1.332 3.590 -7.213 69 2HG2 VAL 20 HG22 VAL 20 -1.262 4.105 -5.460 70 3HG2 VAL 20 HG23 VAL 20 -1.354 2.765 -6.728 71 H SER 21 HN SER 21 -1.821 3.410 -9.045 72 HA SER 21 HA SER 21 -1.778 0.441 -9.536 73 1HB SER 21 HB2 SER 21 -1.256 2.776 -11.313 74 2HB SER 21 HB1 SER 21 -0.234 1.358 -11.528 75 HG SER 21 HG SER 21 -2.704 0.506 -11.227 76 H VAL 22 HN VAL 22 0.343 -0.466 -9.750 77 HA VAL 22 HA VAL 22 2.020 0.007 -7.569 78 HB VAL 22 HB VAL 22 1.948 -2.008 -9.178 79 1HG1 VAL 22 HG11 VAL 22 2.436 -0.847 -11.408 80 2HG1 VAL 22 HG12 VAL 22 4.095 -0.310 -10.819 81 3HG1 VAL 22 HG13 VAL 22 2.972 -1.632 -11.382 82 1HG2 VAL 22 HG21 VAL 22 4.579 -0.915 -8.112 83 2HG2 VAL 22 HG22 VAL 22 3.772 -2.520 -7.749 84 3HG2 VAL 22 HG23 VAL 22 4.817 -1.481 -8.839 85 H THR 23 HN THR 23 1.945 1.563 -10.685 86 HA THR 23 HA THR 23 4.483 2.869 -10.610 87 HB THR 23 HB THR 23 3.381 3.072 -12.703 88 HG1 THR 23 HG1 THR 23 3.092 5.236 -12.905 89 1HG2 THR 23 HG21 THR 23 0.747 4.175 -11.645 90 2HG2 THR 23 HG22 THR 23 1.034 2.793 -12.873 91 3HG2 THR 23 HG23 THR 23 0.912 3.364 -11.162 92 H VAL 24 HN VAL 24 1.261 4.162 -9.666 93 HA VAL 24 HA VAL 24 2.388 6.523 -8.418 94 HB VAL 24 HB VAL 24 -0.137 5.564 -7.216 95 1HG1 VAL 24 HG11 VAL 24 -0.459 8.016 -8.609 96 2HG1 VAL 24 HG12 VAL 24 0.369 7.966 -6.958 97 3HG1 VAL 24 HG13 VAL 24 0.473 8.094 -8.781 98 1HG2 VAL 24 HG21 VAL 24 -1.248 5.042 -9.333 99 2HG2 VAL 24 HG22 VAL 24 -0.377 6.361 -10.269 100 3HG2 VAL 24 HG23 VAL 24 -0.467 4.612 -9.687 101 H ALA 25 HN ALA 25 1.618 3.303 -7.261 102 HA ALA 25 HA ALA 25 1.914 3.717 -4.456 103 1HB ALA 25 HB1 ALA 25 2.467 1.217 -4.601 104 2HB ALA 25 HB2 ALA 25 1.224 1.478 -5.904 105 3HB ALA 25 HB3 ALA 25 2.970 1.111 -5.405 106 H HIS 26 HN HIS 26 4.291 3.341 -7.038 107 HA HIS 26 HA HIS 26 6.644 3.025 -5.467 108 1HB HIS 26 HB2 HIS 26 6.527 2.835 -7.976 109 2HB HIS 26 HB1 HIS 26 6.350 4.583 -8.067 110 HD1 HIS 26 HD1 HIS 26 8.834 2.110 -6.507 111 HD2 HIS 26 HD2 HIS 26 8.771 5.789 -8.463 112 HE1 HIS 26 HE1 HIS 26 11.253 2.814 -6.810 113 HE2 HIS 26 HE2 HIS 26 11.243 5.028 -8.016 114 H ASP 27 HN ASP 27 5.002 5.981 -6.589 115 HA ASP 27 HA ASP 27 6.759 7.886 -5.310 116 1HB ASP 27 HB2 ASP 27 4.916 8.458 -6.970 117 2HB ASP 27 HB1 ASP 27 3.760 8.167 -5.676 118 H LEU 28 HN LEU 28 3.842 6.222 -4.232 119 HA LEU 28 HA LEU 28 3.696 7.505 -1.658 120 1HB LEU 28 HB2 LEU 28 2.616 4.802 -2.535 121 2HB LEU 28 HB1 LEU 28 2.087 5.715 -1.123 122 HG LEU 28 HG LEU 28 1.919 6.716 -4.012 123 1HD1 LEU 28 HD11 LEU 28 -0.330 5.494 -2.374 124 2HD1 LEU 28 HD12 LEU 28 -0.391 5.866 -4.174 125 3HD1 LEU 28 HD13 LEU 28 0.124 4.769 -2.777 126 1HD2 LEU 28 HD21 LEU 28 0.923 8.634 -2.844 127 2HD2 LEU 28 HD22 LEU 28 0.322 7.667 -1.406 128 3HD2 LEU 28 HD23 LEU 28 1.660 8.612 -2.242 129 H LEU 29 HN LEU 29 5.399 4.729 -2.911 130 HA LEU 29 HA LEU 29 6.199 3.431 -0.486 131 1HB LEU 29 HB2 LEU 29 6.565 2.707 -2.962 132 2HB LEU 29 HB1 LEU 29 7.949 3.787 -2.970 133 HG LEU 29 HG LEU 29 7.619 1.645 -0.879 134 1HD1 LEU 29 HD11 LEU 29 8.798 1.067 -3.615 135 2HD1 LEU 29 HD12 LEU 29 8.732 -0.108 -2.189 136 3HD1 LEU 29 HD13 LEU 29 7.882 0.823 -3.499 137 1HD2 LEU 29 HD21 LEU 29 9.822 3.472 -1.430 138 2HD2 LEU 29 HD22 LEU 29 9.862 2.117 -0.178 139 3HD2 LEU 29 HD23 LEU 29 10.270 2.742 -1.856 140 H LEU 30 HN LEU 30 7.522 6.241 -2.228 141 HA LEU 30 HA LEU 30 9.852 6.670 -0.568 142 1HB LEU 30 HB2 LEU 30 8.148 8.496 -2.306 143 2HB LEU 30 HB1 LEU 30 9.500 9.139 -1.381 144 HG LEU 30 HG LEU 30 10.934 7.410 -2.524 145 1HD1 LEU 30 HD11 LEU 30 9.638 6.665 -4.850 146 2HD1 LEU 30 HD12 LEU 30 9.269 5.719 -3.319 147 3HD1 LEU 30 HD13 LEU 30 8.781 6.979 -4.553 148 1HD2 LEU 30 HD21 LEU 30 9.891 9.347 -4.563 149 2HD2 LEU 30 HD22 LEU 30 11.059 9.846 -3.240 150 3HD2 LEU 30 HD23 LEU 30 10.724 8.939 -4.802 151 H ALA 31 HN ALA 31 6.449 7.419 -0.234 152 HA ALA 31 HA ALA 31 6.690 9.299 1.939 153 1HB ALA 31 HB1 ALA 31 4.202 7.604 1.453 154 2HB ALA 31 HB2 ALA 31 4.285 9.398 1.906 155 3HB ALA 31 HB3 ALA 31 4.414 8.078 0.658 156 H GLY 32 HN GLY 32 6.743 5.850 1.695 157 1HA GLY 32 HA2 GLY 32 7.412 4.225 3.266 158 2HA GLY 32 HA1 GLY 32 7.874 5.546 4.343 159 H HIS 33 HN HIS 33 4.758 4.605 2.940 160 HA HIS 33 HA HIS 33 3.596 4.741 5.695 161 1HB HIS 33 HB2 HIS 33 2.626 6.146 3.816 162 2HB HIS 33 HB1 HIS 33 2.102 4.642 3.061 163 HD1 HIS 33 HD1 HIS 33 1.641 6.566 6.341 164 HD2 HIS 33 HD2 HIS 33 -0.270 3.668 4.037 165 HE1 HIS 33 HE1 HIS 33 -0.624 6.156 7.417 166 HE2 HIS 33 HE2 HIS 33 -1.810 4.423 6.022 167 H ARG 34 HN ARG 34 1.784 3.151 6.027 168 HA ARG 34 HA ARG 34 2.789 0.477 5.971 169 1HB ARG 34 HB2 ARG 34 -0.060 1.457 6.377 170 2HB ARG 34 HB1 ARG 34 0.498 -0.185 6.687 171 1HG ARG 34 HG2 ARG 34 1.914 2.135 8.034 172 2HG ARG 34 HG1 ARG 34 0.401 1.513 8.685 173 1HD ARG 34 HD2 ARG 34 2.775 -0.288 8.193 174 2HD ARG 34 HD1 ARG 34 2.648 0.614 9.650 175 HE ARG 34 HE ARG 34 0.148 -1.233 9.273 176 1HH1 ARG 34 HH21 ARG 34 2.196 -2.356 7.973 177 2HH1 ARG 34 HH22 ARG 34 3.790 -2.725 9.109 178 1HH2 ARG 34 HH11 ARG 34 0.042 -2.707 9.717 179 2HH2 ARG 34 HH12 ARG 34 1.140 -3.313 11.328 180 H TYR 35 HN TYR 35 2.775 -0.994 4.469 181 HA TYR 35 HA TYR 35 1.192 -0.553 1.964 182 1HB TYR 35 HB2 TYR 35 3.788 -0.673 2.035 183 2HB TYR 35 HB1 TYR 35 3.541 -2.408 2.220 184 HD1 TYR 35 HD1 TYR 35 2.931 -3.776 0.347 185 HD2 TYR 35 HD2 TYR 35 2.816 0.520 -0.027 186 HE1 TYR 35 HE1 TYR 35 2.518 -3.997 -2.074 187 HE2 TYR 35 HE2 TYR 35 2.408 0.286 -2.450 188 HH TYR 35 HH TYR 35 2.510 -1.198 -4.220 189 H LEU 36 HN LEU 36 -0.652 -1.772 2.205 190 HA LEU 36 HA LEU 36 -0.466 -4.507 3.403 191 1HB LEU 36 HB2 LEU 36 -2.176 -2.669 4.090 192 2HB LEU 36 HB1 LEU 36 -2.995 -3.035 2.580 193 HG LEU 36 HG LEU 36 -4.157 -4.409 4.078 194 1HD1 LEU 36 HD11 LEU 36 -2.910 -6.739 3.606 195 2HD1 LEU 36 HD12 LEU 36 -3.239 -5.805 2.076 196 3HD1 LEU 36 HD13 LEU 36 -2.046 -6.480 3.320 197 1HD2 LEU 36 HD21 LEU 36 -1.894 -4.212 5.830 198 2HD2 LEU 36 HD22 LEU 36 -3.342 -5.245 6.196 199 3HD2 LEU 36 HD23 LEU 36 -1.592 -5.094 5.622 200 H ASP 37 HN ASP 37 -0.719 -6.252 2.157 201 HA ASP 37 HA ASP 37 -1.666 -5.998 -0.681 202 1HB ASP 37 HB2 ASP 37 0.748 -7.641 0.139 203 2HB ASP 37 HB1 ASP 37 0.183 -7.291 -1.490 204 H VAL 38 HN VAL 38 -2.914 -7.704 -1.258 205 HA VAL 38 HA VAL 38 -2.881 -10.138 0.481 206 HB VAL 38 HB VAL 38 -5.338 -10.282 0.489 207 1HG1 VAL 38 HG11 VAL 38 -4.717 -7.426 1.390 208 2HG1 VAL 38 HG12 VAL 38 -5.496 -8.794 2.337 209 3HG1 VAL 38 HG13 VAL 38 -3.993 -7.962 1.713 210 1HG2 VAL 38 HG21 VAL 38 -6.636 -8.524 -0.849 211 2HG2 VAL 38 HG22 VAL 38 -5.108 -7.614 -1.301 212 3HG2 VAL 38 HG23 VAL 38 -6.211 -9.076 -1.486 213 H ARG 39 HN ARG 39 -1.528 -10.748 -1.315 214 HA ARG 39 HA ARG 39 -2.744 -11.152 -3.980 215 1HB ARG 39 HB2 ARG 39 -0.088 -11.980 -2.752 216 2HB ARG 39 HB1 ARG 39 -0.569 -12.411 -4.396 217 1HG ARG 39 HG2 ARG 39 0.321 -10.403 -5.014 218 2HG ARG 39 HG1 ARG 39 -1.151 -9.714 -4.344 219 1HD ARG 39 HD2 ARG 39 0.586 -8.439 -3.451 220 2HD ARG 39 HD1 ARG 39 0.067 -9.532 -2.136 221 HE ARG 39 HE ARG 39 2.456 -10.857 -2.887 222 1HH1 ARG 39 HH21 ARG 39 1.913 -9.217 -0.831 223 2HH1 ARG 39 HH22 ARG 39 2.276 -7.293 -1.178 224 1HH2 ARG 39 HH11 ARG 39 3.838 -10.558 -2.321 225 2HH2 ARG 39 HH12 ARG 39 4.832 -8.901 -2.976 226 H THR 40 HN THR 40 -1.746 -13.096 -1.189 227 HA THR 40 HA THR 40 -3.869 -14.993 -1.458 228 HB THR 40 HB THR 40 -1.812 -16.718 -2.275 229 HG1 THR 40 HG1 THR 40 -0.517 -15.314 -3.152 230 1HG2 THR 40 HG21 THR 40 -3.693 -15.827 -4.366 231 2HG2 THR 40 HG22 THR 40 -3.718 -17.432 -3.471 232 3HG2 THR 40 HG23 THR 40 -4.289 -15.686 -3.630 233 HA PRO 41 HA PRO 41 -2.556 -15.928 2.641 234 1HB PRO 41 HB2 PRO 41 -3.000 -18.805 1.905 235 2HB PRO 41 HB1 PRO 41 -3.676 -17.854 3.240 236 1HG PRO 41 HG2 PRO 41 -5.043 -18.536 0.986 237 2HG PRO 41 HG1 PRO 41 -5.431 -17.161 2.032 238 1HD PRO 41 HD2 PRO 41 -4.374 -17.135 -0.690 239 2HD PRO 41 HD1 PRO 41 -5.001 -15.781 0.276 240 H GLU 42 HN GLU 42 -1.267 -17.604 -0.132 241 HA GLU 42 HA GLU 42 0.995 -18.856 1.198 242 1HB GLU 42 HB2 GLU 42 0.546 -18.088 -1.709 243 2HB GLU 42 HB1 GLU 42 1.903 -19.055 -1.125 244 1HG GLU 42 HG2 GLU 42 0.315 -20.725 -0.225 245 2HG GLU 42 HG1 GLU 42 -1.028 -19.765 -0.848 246 H GLU 43 HN GLU 43 0.345 -15.705 -0.205 247 HA GLU 43 HA GLU 43 2.988 -14.705 -0.518 248 1HB GLU 43 HB2 GLU 43 0.791 -13.531 -1.116 249 2HB GLU 43 HB1 GLU 43 0.680 -13.075 0.585 250 1HG GLU 43 HG2 GLU 43 1.732 -11.249 -0.608 251 2HG GLU 43 HG1 GLU 43 2.963 -12.038 0.379 252 H PHE 44 HN PHE 44 1.021 -15.108 2.330 253 HA PHE 44 HA PHE 44 2.856 -13.767 4.190 254 1HB PHE 44 HB2 PHE 44 0.399 -13.982 4.542 255 2HB PHE 44 HB1 PHE 44 0.594 -15.723 4.679 256 HD1 PHE 44 HD1 PHE 44 1.420 -12.451 6.222 257 HD2 PHE 44 HD2 PHE 44 1.374 -16.733 6.740 258 HE1 PHE 44 HE1 PHE 44 1.860 -12.159 8.637 259 HE2 PHE 44 HE2 PHE 44 1.822 -16.438 9.157 260 HZ PHE 44 HZ PHE 44 2.066 -14.153 10.112 261 H SER 45 HN SER 45 2.122 -17.052 3.151 262 HA SER 45 HA SER 45 3.748 -18.440 5.093 263 1HB SER 45 HB2 SER 45 1.961 -19.475 3.593 264 2HB SER 45 HB1 SER 45 3.134 -19.390 2.280 265 HG SER 45 HG SER 45 2.953 -21.369 3.729 266 H GLN 46 HN GLN 46 4.379 -17.211 1.843 267 HA GLN 46 HA GLN 46 7.126 -18.226 1.802 268 1HB GLN 46 HB2 GLN 46 7.338 -16.910 -0.272 269 2HB GLN 46 HB1 GLN 46 5.858 -17.865 -0.296 270 1HG GLN 46 HG2 GLN 46 5.147 -15.737 -1.031 271 2HG GLN 46 HG1 GLN 46 4.739 -15.740 0.681 272 1HE2 GLN 46 HE21 GLN 46 4.935 -13.462 0.929 273 2HE2 GLN 46 HE22 GLN 46 6.420 -12.657 0.841 274 H GLY 47 HN GLY 47 5.829 -16.119 3.763 275 1HA GLY 47 HA2 GLY 47 7.024 -14.718 5.305 276 2HA GLY 47 HA1 GLY 47 8.357 -14.645 4.156 277 H HIS 48 HN HIS 48 8.348 -12.382 4.618 278 HA HIS 48 HA HIS 48 6.123 -10.883 3.321 279 1HB HIS 48 HB2 HIS 48 8.275 -9.914 5.223 280 2HB HIS 48 HB1 HIS 48 7.022 -8.898 4.524 281 HD1 HIS 48 HD1 HIS 48 7.676 -10.147 7.621 282 HD2 HIS 48 HD2 HIS 48 4.378 -10.738 5.144 283 HE1 HIS 48 HE1 HIS 48 5.779 -10.903 9.118 284 HE2 HIS 48 HE2 HIS 48 3.759 -11.244 7.649 285 H ALA 49 HN ALA 49 7.610 -8.558 2.863 286 HA ALA 49 HA ALA 49 9.641 -9.375 0.844 287 1HB ALA 49 HB1 ALA 49 8.300 -8.137 -0.925 288 2HB ALA 49 HB2 ALA 49 6.938 -8.934 0.015 289 3HB ALA 49 HB3 ALA 49 7.913 -7.437 -0.414 290 H CYS 50 HN CYS 50 10.656 -7.376 -0.059 291 HA CYS 50 HA CYS 50 11.460 -5.592 2.139 292 1HB CYS 50 HB2 CYS 50 13.031 -6.664 0.343 293 2HB CYS 50 HB1 CYS 50 12.462 -5.330 -0.687 294 HG CYS 50 HG CYS 50 13.416 -4.523 2.113 295 H GLY 51 HN GLY 51 10.059 -4.091 2.562 296 1HA GLY 51 HA2 GLY 51 9.027 -1.977 2.271 297 2HA GLY 51 HA1 GLY 51 9.476 -2.019 0.561 298 H ALA 52 HN ALA 52 7.888 -4.722 2.018 299 HA ALA 52 HA ALA 52 5.220 -3.848 1.004 300 1HB ALA 52 HB1 ALA 52 5.201 -5.853 -0.546 301 2HB ALA 52 HB2 ALA 52 6.853 -5.146 -0.860 302 3HB ALA 52 HB3 ALA 52 5.799 -6.482 -0.143 303 H ILE 53 HN ILE 53 3.802 -4.431 2.493 304 HA ILE 53 HA ILE 53 4.395 -6.838 4.176 305 HB ILE 53 HB ILE 53 3.159 -4.154 4.787 306 1HG1 ILE 53 HG12 ILE 53 5.241 -5.867 6.194 307 2HG1 ILE 53 HG11 ILE 53 5.585 -4.547 5.062 308 1HG2 ILE 53 HG21 ILE 53 2.776 -5.879 7.021 309 2HG2 ILE 53 HG22 ILE 53 1.410 -5.405 5.907 310 3HG2 ILE 53 HG23 ILE 53 2.660 -6.645 6.468 311 1HD1 ILE 53 HD11 ILE 53 4.096 -4.013 7.640 312 2HD1 ILE 53 HD12 ILE 53 5.741 -3.332 7.182 313 3HD1 ILE 53 HD13 ILE 53 3.917 -3.338 6.984 314 H ASN 54 HN ASN 54 3.162 -8.444 3.547 315 HA ASN 54 HA ASN 54 0.480 -7.946 2.345 316 1HB ASN 54 HB2 ASN 54 2.096 -9.424 1.166 317 2HB ASN 54 HB1 ASN 54 2.040 -10.540 2.527 318 1HD2 ASN 54 HD21 ASN 54 0.347 -9.374 -0.282 319 2HD2 ASN 54 HD22 ASN 54 -0.950 -10.458 -0.211 320 H VAL 55 HN VAL 55 -1.326 -8.488 3.356 321 HA VAL 55 HA VAL 55 -1.164 -10.257 5.735 322 HB VAL 55 HB VAL 55 -2.079 -7.368 5.627 323 1HG1 VAL 55 HG11 VAL 55 -3.444 -9.473 7.194 324 2HG1 VAL 55 HG12 VAL 55 -3.080 -7.958 8.137 325 3HG1 VAL 55 HG13 VAL 55 -4.000 -8.826 6.787 326 1HG2 VAL 55 HG21 VAL 55 -0.439 -7.311 7.511 327 2HG2 VAL 55 HG22 VAL 55 -0.418 -9.131 7.681 328 3HG2 VAL 55 HG23 VAL 55 0.086 -7.625 6.774 329 HA PRO 56 HA PRO 56 -4.598 -11.414 3.026 330 1HB PRO 56 HB2 PRO 56 -4.350 -14.131 3.545 331 2HB PRO 56 HB1 PRO 56 -3.465 -13.252 2.285 332 1HG PRO 56 HG2 PRO 56 -2.512 -14.308 4.838 333 2HG PRO 56 HG1 PRO 56 -1.623 -13.939 3.351 334 1HD PRO 56 HD2 PRO 56 -1.688 -12.368 5.712 335 2HD PRO 56 HD1 PRO 56 -0.999 -11.899 4.143 336 H TYR 57 HN TYR 57 -5.989 -10.402 4.486 337 HA TYR 57 HA TYR 57 -6.815 -11.421 7.049 338 1HB TYR 57 HB2 TYR 57 -7.167 -9.118 5.919 339 2HB TYR 57 HB1 TYR 57 -8.571 -9.877 5.182 340 HD1 TYR 57 HD1 TYR 57 -7.028 -9.824 8.647 341 HD2 TYR 57 HD2 TYR 57 -10.568 -9.416 6.225 342 HE1 TYR 57 HE1 TYR 57 -8.376 -9.390 10.669 343 HE2 TYR 57 HE2 TYR 57 -11.907 -8.986 8.244 344 HH TYR 57 HH TYR 57 -10.546 -8.230 11.239 345 H MET 58 HN MET 58 -8.564 -11.427 3.989 346 HA MET 58 HA MET 58 -9.565 -14.169 4.586 347 1HB MET 58 HB2 MET 58 -11.362 -11.841 3.896 348 2HB MET 58 HB1 MET 58 -11.862 -13.513 4.136 349 1HG MET 58 HG2 MET 58 -10.584 -11.738 6.239 350 2HG MET 58 HG1 MET 58 -12.293 -12.190 6.160 351 1HE MET 58 HE1 MET 58 -10.558 -12.597 8.711 352 2HE MET 58 HE2 MET 58 -9.706 -14.218 8.996 353 3HE MET 58 HE3 MET 58 -9.712 -12.520 8.251 354 H ASN 59 HN ASN 59 -10.179 -15.299 2.768 355 HA ASN 59 HA ASN 59 -10.044 -14.018 0.092 356 1HB ASN 59 HB2 ASN 59 -8.112 -16.131 1.075 357 2HB ASN 59 HB1 ASN 59 -8.463 -15.886 -0.636 358 1HD2 ASN 59 HD21 ASN 59 -6.479 -14.856 1.883 359 2HD2 ASN 59 HD22 ASN 59 -5.905 -13.426 1.185 360 H ARG 60 HN ARG 60 -11.768 -14.792 -0.937 361 HA ARG 60 HA ARG 60 -12.970 -17.389 -0.075 362 1HB ARG 60 HB2 ARG 60 -14.954 -16.719 -1.187 363 2HB ARG 60 HB1 ARG 60 -14.359 -15.258 -0.399 364 1HG ARG 60 HG2 ARG 60 -13.107 -14.788 -2.651 365 2HG ARG 60 HG1 ARG 60 -14.218 -15.974 -3.334 366 1HD ARG 60 HD2 ARG 60 -16.185 -14.576 -2.443 367 2HD ARG 60 HD1 ARG 60 -15.018 -13.374 -1.895 368 HE ARG 60 HE ARG 60 -14.514 -13.271 -4.753 369 1HH1 ARG 60 HH21 ARG 60 -16.821 -14.559 -4.666 370 2HH1 ARG 60 HH22 ARG 60 -18.314 -13.568 -3.804 371 1HH2 ARG 60 HH11 ARG 60 -15.294 -12.611 -5.890 372 2HH2 ARG 60 HH12 ARG 60 -16.500 -11.026 -5.450 373 H GLY 61 HN GLY 61 -12.547 -19.153 -1.191 374 1HA GLY 61 HA2 GLY 61 -12.171 -20.567 -3.056 375 2HA GLY 61 HA1 GLY 61 -12.404 -19.166 -4.106 376 H ALA 62 HN ALA 62 -10.509 -17.484 -3.409 377 HA ALA 62 HA ALA 62 -8.117 -18.479 -4.574 378 1HB ALA 62 HB1 ALA 62 -7.722 -16.135 -2.847 379 2HB ALA 62 HB2 ALA 62 -7.838 -16.117 -4.670 380 3HB ALA 62 HB3 ALA 62 -8.635 -15.941 -3.015 381 H SER 63 HN SER 63 -9.469 -19.119 -1.614 382 HA SER 63 HA SER 63 -6.839 -20.077 -0.532 383 1HB SER 63 HB2 SER 63 -7.369 -18.298 0.940 384 2HB SER 63 HB1 SER 63 -9.095 -18.655 0.888 385 HG SER 63 HG SER 63 -7.699 -20.793 1.728 386 H GLY 64 HN GLY 64 -9.359 -21.105 -2.056 387 1HA GLY 64 HA2 GLY 64 -10.305 -23.279 -2.221 388 2HA GLY 64 HA1 GLY 64 -9.426 -23.732 -0.756 389 H MET 65 HN MET 65 -11.738 -21.144 -1.352 390 HA MET 65 HA MET 65 -13.726 -20.537 -0.217 391 1HB MET 65 HB2 MET 65 -13.924 -23.539 0.046 392 2HB MET 65 HB1 MET 65 -15.228 -22.395 0.359 393 1HG MET 65 HG2 MET 65 -14.978 -21.558 -1.986 394 2HG MET 65 HG1 MET 65 -13.825 -22.866 -2.281 395 1HE MET 65 HE1 MET 65 -14.280 -25.419 -1.795 396 2HE MET 65 HE2 MET 65 -15.389 -25.480 -0.313 397 3HE MET 65 HE3 MET 65 -15.035 -25.965 -2.061 398 H SER 66 HN SER 66 -12.629 -19.536 1.480 399 HA SER 66 HA SER 66 -13.258 -20.575 4.109 400 1HB SER 66 HB2 SER 66 -10.405 -20.705 3.148 401 2HB SER 66 HB1 SER 66 -10.777 -20.484 4.855 402 HG SER 66 HG SER 66 -10.947 -22.579 4.817 403 H LYS 67 HN LYS 67 -14.256 -18.587 4.297 404 HA LYS 67 HA LYS 67 -12.388 -16.271 4.608 405 1HB LYS 67 HB2 LYS 67 -13.483 -15.580 2.685 406 2HB LYS 67 HB1 LYS 67 -14.973 -16.432 3.094 407 1HG LYS 67 HG2 LYS 67 -15.606 -14.761 4.663 408 2HG LYS 67 HG1 LYS 67 -13.990 -14.050 4.670 409 1HD LYS 67 HD2 LYS 67 -15.456 -14.190 2.077 410 2HD LYS 67 HD1 LYS 67 -15.957 -12.965 3.245 411 1HE LYS 67 HE2 LYS 67 -13.616 -12.155 3.374 412 2HE LYS 67 HE1 LYS 67 -13.151 -13.387 2.195 413 1HZ LYS 67 HZ1 LYS 67 -13.812 -11.588 0.734 414 2HZ LYS 67 HZ2 LYS 67 -15.498 -12.047 1.070 415 3HZ LYS 67 HZ3 LYS 67 -14.117 -10.958 1.358 416 H ASN 68 HN ASN 68 -12.407 -15.582 6.587 417 HA ASN 68 HA ASN 68 -14.066 -16.577 8.693 418 1HB ASN 68 HB2 ASN 68 -11.772 -15.458 8.838 419 2HB ASN 68 HB1 ASN 68 -12.645 -13.929 8.768 420 1HD2 ASN 68 HD21 ASN 68 -12.459 -16.961 10.614 421 2HD2 ASN 68 HD22 ASN 68 -12.966 -16.293 12.083 422 H THR 69 HN THR 69 -15.380 -15.168 10.089 423 HA THR 69 HA THR 69 -16.745 -12.907 8.838 424 HB THR 69 HB THR 69 -17.948 -14.538 7.668 425 HG1 THR 69 HG1 THR 69 -19.084 -13.101 9.193 426 1HG2 THR 69 HG21 THR 69 -17.631 -16.271 10.014 427 2HG2 THR 69 HG22 THR 69 -19.027 -16.647 8.946 428 3HG2 THR 69 HG23 THR 69 -17.184 -16.623 9.258 429 H ASP 70 HN ASP 70 -15.406 -12.849 11.204 430 HA ASP 70 HA ASP 70 -17.638 -12.745 13.221 431 1HB ASP 70 HB2 ASP 70 -14.740 -13.504 13.715 432 2HB ASP 70 HB1 ASP 70 -15.921 -13.212 14.985 433 H PHE 71 HN PHE 71 -14.473 -11.555 12.290 434 HA PHE 71 HA PHE 71 -14.263 -9.269 13.963 435 1HB PHE 71 HB2 PHE 71 -13.323 -9.717 11.125 436 2HB PHE 71 HB1 PHE 71 -12.789 -8.386 12.143 437 HD1 PHE 71 HD1 PHE 71 -11.427 -8.832 14.170 438 HD2 PHE 71 HD2 PHE 71 -12.457 -11.979 11.402 439 HE1 PHE 71 HE1 PHE 71 -9.636 -10.245 15.118 440 HE2 PHE 71 HE2 PHE 71 -10.665 -13.397 12.362 441 HZ PHE 71 HZ PHE 71 -9.251 -12.535 14.221 442 H LEU 72 HN LEU 72 -16.221 -9.931 11.202 443 HA LEU 72 HA LEU 72 -16.688 -7.430 10.089 444 1HB LEU 72 HB2 LEU 72 -18.997 -9.333 10.627 445 2HB LEU 72 HB1 LEU 72 -18.788 -8.224 9.282 446 HG LEU 72 HG LEU 72 -17.508 -10.876 9.753 447 1HD1 LEU 72 HD11 LEU 72 -18.546 -9.709 7.188 448 2HD1 LEU 72 HD12 LEU 72 -18.285 -11.482 7.519 449 3HD1 LEU 72 HD13 LEU 72 -19.303 -9.941 7.713 450 1HD2 LEU 72 HD21 LEU 72 -16.100 -8.696 8.246 451 2HD2 LEU 72 HD22 LEU 72 -15.344 -9.837 9.455 452 3HD2 LEU 72 HD23 LEU 72 -15.931 -9.487 7.743 453 H GLU 73 HN GLU 73 -18.180 -8.776 12.996 454 HA GLU 73 HA GLU 73 -19.804 -6.516 13.682 455 1HB GLU 73 HB2 GLU 73 -19.950 -7.466 15.852 456 2HB GLU 73 HB1 GLU 73 -19.714 -8.855 14.796 457 1HG GLU 73 HG2 GLU 73 -17.205 -8.609 15.294 458 2HG GLU 73 HG1 GLU 73 -17.685 -7.512 16.589 459 H GLN 74 HN GLN 74 -16.382 -7.213 14.199 460 HA GLN 74 HA GLN 74 -15.959 -4.748 15.775 461 1HB GLN 74 HB2 GLN 74 -14.155 -6.911 14.689 462 2HB GLN 74 HB1 GLN 74 -13.478 -5.417 15.346 463 1HG GLN 74 HG2 GLN 74 -14.722 -5.811 17.446 464 2HG GLN 74 HG1 GLN 74 -15.344 -7.319 16.788 465 1HE2 GLN 74 HE21 GLN 74 -13.977 -9.128 16.784 466 2HE2 GLN 74 HE22 GLN 74 -12.432 -9.138 17.475 467 H VAL 75 HN VAL 75 -15.051 -5.938 12.535 468 HA VAL 75 HA VAL 75 -13.870 -3.441 11.691 469 HB VAL 75 HB VAL 75 -15.085 -5.746 10.118 470 1HG1 VAL 75 HG11 VAL 75 -13.469 -3.743 8.633 471 2HG1 VAL 75 HG12 VAL 75 -15.103 -4.447 8.166 472 3HG1 VAL 75 HG13 VAL 75 -14.117 -3.159 9.020 473 1HG2 VAL 75 HG21 VAL 75 -12.703 -6.476 10.126 474 2HG2 VAL 75 HG22 VAL 75 -12.049 -4.756 10.370 475 3HG2 VAL 75 HG23 VAL 75 -12.770 -6.291 11.060 476 H SER 76 HN SER 76 -17.108 -4.835 11.358 477 HA SER 76 HA SER 76 -18.225 -2.619 9.853 478 1HB SER 76 HB2 SER 76 -19.296 -4.914 10.113 479 2HB SER 76 HB1 SER 76 -19.721 -4.452 11.759 480 HG SER 76 HG SER 76 -20.620 -2.497 10.584 481 H SER 77 HN SER 77 -17.365 -3.086 13.151 482 HA SER 77 HA SER 77 -19.147 -1.373 14.542 483 1HB SER 77 HB2 SER 77 -17.180 -2.738 15.502 484 2HB SER 77 HB1 SER 77 -16.157 -1.378 15.048 485 HG SER 77 HG SER 77 -17.265 -0.094 16.438 486 H HIS 78 HN HIS 78 -16.107 -0.530 12.894 487 HA HIS 78 HA HIS 78 -16.950 1.847 11.685 488 1HB HIS 78 HB2 HIS 78 -16.567 2.121 14.608 489 2HB HIS 78 HB1 HIS 78 -15.672 3.312 13.664 490 HD1 HIS 78 HD1 HIS 78 -18.892 2.888 15.172 491 HD2 HIS 78 HD2 HIS 78 -17.568 4.493 11.560 492 HE1 HIS 78 HE1 HIS 78 -20.742 4.409 14.330 493 HE2 HIS 78 HE2 HIS 78 -19.953 5.413 12.157 494 H PHE 79 HN PHE 79 -14.608 -0.224 12.929 495 HA PHE 79 HA PHE 79 -12.319 1.351 11.802 496 1HB PHE 79 HB2 PHE 79 -12.446 -1.160 13.463 497 2HB PHE 79 HB1 PHE 79 -10.957 -0.436 12.871 498 HD1 PHE 79 HD1 PHE 79 -10.212 1.765 13.689 499 HD2 PHE 79 HD2 PHE 79 -13.679 -0.197 15.340 500 HE1 PHE 79 HE1 PHE 79 -10.112 3.256 15.657 501 HE2 PHE 79 HE2 PHE 79 -13.581 1.302 17.308 502 HZ PHE 79 HZ PHE 79 -11.797 3.032 17.473 503 H GLY 80 HN GLY 80 -11.011 0.459 10.206 504 1HA GLY 80 HA2 GLY 80 -12.167 -1.828 8.657 505 2HA GLY 80 HA1 GLY 80 -11.311 -0.479 7.912 506 H GLN 81 HN GLN 81 -10.844 -3.441 8.005 507 HA GLN 81 HA GLN 81 -8.651 -4.290 9.491 508 1HB GLN 81 HB2 GLN 81 -9.343 -5.950 8.036 509 2HB GLN 81 HB1 GLN 81 -9.578 -4.821 6.700 510 1HG GLN 81 HG2 GLN 81 -7.633 -6.368 6.367 511 2HG GLN 81 HG1 GLN 81 -7.190 -4.665 6.333 512 1HE2 GLN 81 HE21 GLN 81 -7.957 -6.109 9.402 513 2HE2 GLN 81 HE22 GLN 81 -6.373 -6.197 9.991 514 H SER 82 HN SER 82 -8.574 -2.251 6.591 515 HA SER 82 HA SER 82 -5.747 -1.516 7.338 516 1HB SER 82 HB2 SER 82 -6.345 -0.984 4.556 517 2HB SER 82 HB1 SER 82 -5.075 -1.994 5.238 518 HG SER 82 HG SER 82 -7.516 -2.668 4.188 519 H ASP 83 HN ASP 83 -8.456 -0.405 7.998 520 HA ASP 83 HA ASP 83 -9.364 1.880 6.755 521 1HB ASP 83 HB2 ASP 83 -10.231 1.299 8.930 522 2HB ASP 83 HB1 ASP 83 -8.658 1.550 9.681 523 H ASN 84 HN ASN 84 -8.310 3.432 5.766 524 HA ASN 84 HA ASN 84 -6.761 5.183 5.347 525 1HB ASN 84 HB2 ASN 84 -7.339 5.659 7.813 526 2HB ASN 84 HB1 ASN 84 -5.805 4.871 8.182 527 1HD2 ASN 84 HD21 ASN 84 -7.216 7.528 6.289 528 2HD2 ASN 84 HD22 ASN 84 -5.825 8.489 6.290 529 H ILE 85 HN ILE 85 -5.939 3.010 4.292 530 HA ILE 85 HA ILE 85 -3.042 3.045 4.830 531 HB ILE 85 HB ILE 85 -4.752 0.574 5.027 532 1HG1 ILE 85 HG12 ILE 85 -2.931 2.102 6.895 533 2HG1 ILE 85 HG11 ILE 85 -4.654 1.744 7.094 534 1HG2 ILE 85 HG21 ILE 85 -2.683 -0.439 4.101 535 2HG2 ILE 85 HG22 ILE 85 -1.606 0.908 4.763 536 3HG2 ILE 85 HG23 ILE 85 -2.534 -0.644 5.020 537 1HD1 ILE 85 HD11 ILE 85 -3.467 -0.096 8.340 538 2HD1 ILE 85 HD12 ILE 85 -3.660 -0.920 6.706 539 3HD1 ILE 85 HD13 ILE 85 -2.597 -0.078 7.950 540 H ILE 86 HN ILE 86 -1.997 1.495 3.123 541 HA ILE 86 HA ILE 86 -3.412 1.955 0.528 542 HB ILE 86 HB ILE 86 -0.440 1.543 1.079 543 1HG1 ILE 86 HG12 ILE 86 -2.057 4.073 0.377 544 2HG1 ILE 86 HG11 ILE 86 -1.354 3.725 1.963 545 1HG2 ILE 86 HG21 ILE 86 -0.405 1.484 -1.363 546 2HG2 ILE 86 HG22 ILE 86 -2.235 1.556 -1.440 547 3HG2 ILE 86 HG23 ILE 86 -0.599 2.400 -1.503 548 1HD1 ILE 86 HD11 ILE 86 0.191 5.018 0.060 549 2HD1 ILE 86 HD12 ILE 86 1.033 3.812 1.156 550 3HD1 ILE 86 HD13 ILE 86 0.350 4.267 -0.500 551 H VAL 87 HN VAL 87 -4.408 0.144 -0.017 552 HA VAL 87 HA VAL 87 -2.981 -2.448 0.418 553 HB VAL 87 HB VAL 87 -5.963 -2.028 0.153 554 1HG1 VAL 87 HG11 VAL 87 -4.441 -4.534 0.528 555 2HG1 VAL 87 HG12 VAL 87 -5.925 -4.341 1.603 556 3HG1 VAL 87 HG13 VAL 87 -5.194 -4.467 -0.065 557 1HG2 VAL 87 HG21 VAL 87 -5.499 -1.065 2.388 558 2HG2 VAL 87 HG22 VAL 87 -5.406 -2.824 2.924 559 3HG2 VAL 87 HG23 VAL 87 -4.567 -1.254 2.492 560 H GLY 88 HN GLY 88 -3.594 -4.102 -1.204 561 1HA GLY 88 HA2 GLY 88 -4.378 -3.077 -3.876 562 2HA GLY 88 HA1 GLY 88 -2.761 -3.766 -3.717 563 H CYS 89 HN CYS 89 -5.258 -4.619 -5.163 564 HA CYS 89 HA CYS 89 -5.800 -7.219 -3.851 565 1HB CYS 89 HB2 CYS 89 -7.723 -5.891 -4.739 566 2HB CYS 89 HB1 CYS 89 -7.074 -6.089 -6.357 567 HG CYS 89 HG CYS 89 -8.699 -8.158 -4.833 568 H GLN 90 HN GLN 90 -5.390 -9.168 -4.803 569 HA GLN 90 HA GLN 90 -2.935 -9.646 -5.961 570 1HB GLN 90 HB2 GLN 90 -4.668 -11.364 -5.165 571 2HB GLN 90 HB1 GLN 90 -5.336 -11.269 -6.793 572 1HG GLN 90 HG2 GLN 90 -3.199 -11.924 -7.755 573 2HG GLN 90 HG1 GLN 90 -2.455 -11.963 -6.159 574 1HE2 GLN 90 HE21 GLN 90 -2.253 -14.274 -7.515 575 2HE2 GLN 90 HE22 GLN 90 -3.344 -15.440 -6.956 576 H SER 91 HN SER 91 -5.849 -8.768 -7.649 577 HA SER 91 HA SER 91 -4.207 -8.268 -10.104 578 1HB SER 91 HB2 SER 91 -5.992 -9.144 -11.499 579 2HB SER 91 HB1 SER 91 -5.549 -10.378 -10.324 580 HG SER 91 HG SER 91 -7.333 -9.142 -9.072 581 H GLY 92 HN GLY 92 -5.126 -6.664 -11.499 582 1HA GLY 92 HA2 GLY 92 -6.772 -4.676 -9.991 583 2HA GLY 92 HA1 GLY 92 -5.578 -4.229 -11.212 584 H GLY 93 HN GLY 93 -7.768 -3.104 -11.763 585 1HA GLY 93 HA2 GLY 93 -9.374 -2.811 -13.478 586 2HA GLY 93 HA1 GLY 93 -8.735 -4.288 -14.206 587 H ARG 94 HN ARG 94 -9.356 -6.336 -13.086 588 HA ARG 94 HA ARG 94 -12.242 -6.498 -12.852 589 1HB ARG 94 HB2 ARG 94 -10.234 -8.568 -11.911 590 2HB ARG 94 HB1 ARG 94 -11.919 -8.839 -12.391 591 1HG ARG 94 HG2 ARG 94 -9.737 -7.760 -14.214 592 2HG ARG 94 HG1 ARG 94 -10.402 -9.382 -14.260 593 1HD ARG 94 HD2 ARG 94 -12.632 -8.360 -14.518 594 2HD ARG 94 HD1 ARG 94 -11.767 -6.853 -15.009 595 HE ARG 94 HE ARG 94 -12.072 -8.764 -17.068 596 1HH1 ARG 94 HH21 ARG 94 -10.550 -6.653 -16.769 597 2HH1 ARG 94 HH22 ARG 94 -8.752 -6.997 -15.986 598 1HH2 ARG 94 HH11 ARG 94 -11.144 -8.902 -18.231 599 2HH2 ARG 94 HH12 ARG 94 -9.372 -9.872 -17.956 600 H SER 95 HN SER 95 -9.622 -6.153 -10.597 601 HA SER 95 HA SER 95 -11.336 -6.707 -8.260 602 1HB SER 95 HB2 SER 95 -9.382 -6.342 -6.932 603 2HB SER 95 HB1 SER 95 -8.818 -7.193 -8.366 604 HG SER 95 HG SER 95 -7.540 -5.544 -8.589 605 H ILE 96 HN ILE 96 -10.184 -3.979 -10.064 606 HA ILE 96 HA ILE 96 -10.595 -1.906 -8.182 607 HB ILE 96 HB ILE 96 -9.894 -2.106 -10.879 608 1HG1 ILE 96 HG12 ILE 96 -9.009 -0.475 -9.298 609 2HG1 ILE 96 HG11 ILE 96 -9.647 0.397 -10.713 610 1HG2 ILE 96 HG21 ILE 96 -11.874 -0.272 -11.637 611 2HG2 ILE 96 HG22 ILE 96 -12.233 -2.077 -11.784 612 3HG2 ILE 96 HG23 ILE 96 -12.453 -0.484 -10.914 613 1HD1 ILE 96 HD11 ILE 96 -11.835 0.475 -9.048 614 2HD1 ILE 96 HD12 ILE 96 -10.482 0.616 -7.816 615 3HD1 ILE 96 HD13 ILE 96 -11.394 1.300 -9.256 616 H LYS 97 HN LYS 97 -12.897 -3.342 -10.501 617 HA LYS 97 HA LYS 97 -15.162 -1.794 -9.512 618 1HB LYS 97 HB2 LYS 97 -16.459 -3.699 -10.745 619 2HB LYS 97 HB1 LYS 97 -15.458 -2.615 -11.719 620 1HG LYS 97 HG2 LYS 97 -13.635 -4.217 -11.730 621 2HG LYS 97 HG1 LYS 97 -14.501 -5.271 -10.614 622 1HD LYS 97 HD2 LYS 97 -15.855 -4.527 -13.165 623 2HD LYS 97 HD1 LYS 97 -14.545 -5.707 -13.236 624 1HE LYS 97 HE2 LYS 97 -16.951 -5.869 -11.404 625 2HE LYS 97 HE1 LYS 97 -16.760 -6.759 -12.919 626 1HZ LYS 97 HZ1 LYS 97 -15.824 -8.010 -10.845 627 2HZ LYS 97 HZ2 LYS 97 -14.508 -7.732 -12.013 628 3HZ LYS 97 HZ3 LYS 97 -15.292 -7.341 -10.463 629 H ALA 98 HN ALA 98 -13.872 -5.017 -8.887 630 HA ALA 98 HA ALA 98 -15.972 -5.852 -7.102 631 1HB ALA 98 HB1 ALA 98 -14.217 -7.675 -6.627 632 2HB ALA 98 HB2 ALA 98 -13.834 -7.195 -8.371 633 3HB ALA 98 HB3 ALA 98 -13.419 -7.150 -6.589 634 H THR 99 HN THR 99 -12.919 -4.225 -6.620 635 HA THR 99 HA THR 99 -12.959 -4.127 -3.752 636 HB THR 99 HB THR 99 -11.348 -2.220 -4.176 637 HG1 THR 99 HG1 THR 99 -11.980 -1.304 -5.961 638 1HG2 THR 99 HG21 THR 99 -10.878 -4.944 -4.934 639 2HG2 THR 99 HG22 THR 99 -9.872 -3.860 -6.009 640 3HG2 THR 99 HG23 THR 99 -10.262 -4.535 -4.328 641 H THR 100 HN THR 100 -13.816 -1.699 -6.184 642 HA THR 100 HA THR 100 -14.779 0.368 -4.591 643 HB THR 100 HB THR 100 -15.963 -0.655 -7.188 644 HG1 THR 100 HG1 THR 100 -13.673 0.806 -6.510 645 1HG2 THR 100 HG21 THR 100 -17.268 1.361 -6.460 646 2HG2 THR 100 HG22 THR 100 -15.744 2.286 -6.005 647 3HG2 THR 100 HG23 THR 100 -16.895 1.651 -7.294 648 H ASP 101 HN ASP 101 -16.385 -2.644 -5.452 649 HA ASP 101 HA ASP 101 -18.891 -1.922 -4.002 650 1HB ASP 101 HB2 ASP 101 -17.960 -4.484 -5.355 651 2HB ASP 101 HB1 ASP 101 -19.541 -4.255 -4.617 652 H LEU 102 HN LEU 102 -16.307 -4.352 -3.809 653 HA LEU 102 HA LEU 102 -17.164 -5.499 -1.343 654 1HB LEU 102 HB2 LEU 102 -15.602 -6.709 -2.774 655 2HB LEU 102 HB1 LEU 102 -14.432 -5.402 -2.661 656 HG LEU 102 HG LEU 102 -14.049 -7.513 -1.203 657 1HD1 LEU 102 HD11 LEU 102 -13.399 -4.795 -0.567 658 2HD1 LEU 102 HD12 LEU 102 -13.837 -5.597 1.020 659 3HD1 LEU 102 HD13 LEU 102 -12.737 -5.471 -0.469 660 1HD2 LEU 102 HD21 LEU 102 -16.052 -6.401 0.749 661 2HD2 LEU 102 HD22 LEU 102 -16.538 -7.710 -0.445 662 3HD2 LEU 102 HD23 LEU 102 -15.543 -7.171 0.997 663 H LEU 103 HN LEU 103 -14.867 -2.923 -2.045 664 HA LEU 103 HA LEU 103 -14.115 -2.409 0.685 665 1HB LEU 103 HB2 LEU 103 -14.164 -0.592 -1.762 666 2HB LEU 103 HB1 LEU 103 -13.374 -0.192 -0.240 667 HG LEU 103 HG LEU 103 -12.687 -2.513 -2.069 668 1HD1 LEU 103 HD11 LEU 103 -10.470 -0.868 -2.035 669 2HD1 LEU 103 HD12 LEU 103 -11.907 -0.257 -3.017 670 3HD1 LEU 103 HD13 LEU 103 -10.872 -0.174 -1.514 671 1HD2 LEU 103 HD21 LEU 103 -11.129 -3.110 -0.189 672 2HD2 LEU 103 HD22 LEU 103 -11.331 -1.477 0.652 673 3HD2 LEU 103 HD23 LEU 103 -11.956 -3.171 0.280 674 H HIS 104 HN HIS 104 -16.742 -1.218 -1.360 675 HA HIS 104 HA HIS 104 -17.776 0.781 0.422 676 1HB HIS 104 HB2 HIS 104 -18.997 -0.944 -1.740 677 2HB HIS 104 HB1 HIS 104 -20.002 0.156 -0.796 678 HD1 HIS 104 HD1 HIS 104 -20.253 1.307 -3.300 679 HD2 HIS 104 HD2 HIS 104 -16.586 1.738 -1.368 680 HE1 HIS 104 HE1 HIS 104 -19.070 3.254 -4.416 681 HE2 HIS 104 HE2 HIS 104 -16.858 3.553 -3.247 682 H ALA 105 HN ALA 105 -17.711 -2.630 0.592 683 HA ALA 105 HA ALA 105 -20.020 -3.109 2.216 684 1HB ALA 105 HB1 ALA 105 -18.159 -5.126 2.879 685 2HB ALA 105 HB2 ALA 105 -18.880 -5.121 1.175 686 3HB ALA 105 HB3 ALA 105 -17.499 -4.755 2.310 687 H GLY 106 HN GLY 106 -17.046 -1.566 2.804 688 1HA GLY 106 HA2 GLY 106 -17.190 -0.095 4.896 689 2HA GLY 106 HA1 GLY 106 -17.521 -1.596 5.766 690 H PHE 107 HN PHE 107 -15.414 -2.136 3.246 691 HA PHE 107 HA PHE 107 -13.101 -2.207 5.147 692 1HB PHE 107 HB2 PHE 107 -13.720 -3.657 2.583 693 2HB PHE 107 HB1 PHE 107 -12.097 -3.638 3.269 694 HD1 PHE 107 HD1 PHE 107 -11.651 -4.730 5.493 695 HD2 PHE 107 HD2 PHE 107 -15.525 -4.902 3.594 696 HE1 PHE 107 HE1 PHE 107 -12.345 -6.522 7.057 697 HE2 PHE 107 HE2 PHE 107 -16.206 -6.695 5.153 698 HZ PHE 107 HZ PHE 107 -14.622 -7.510 6.890 699 H THR 108 HN THR 108 -14.230 0.089 3.368 700 HA THR 108 HA THR 108 -12.041 0.617 1.499 701 HB THR 108 HB THR 108 -14.319 1.490 1.071 702 HG1 THR 108 HG1 THR 108 -13.171 3.845 1.349 703 1HG2 THR 108 HG21 THR 108 -15.258 3.196 2.627 704 2HG2 THR 108 HG22 THR 108 -14.408 2.133 3.856 705 3HG2 THR 108 HG23 THR 108 -14.493 3.711 2.897 706 H GLY 109 HN GLY 109 -11.923 3.462 2.151 707 1HA GLY 109 HA2 GLY 109 -10.776 4.987 3.555 708 2HA GLY 109 HA1 GLY 109 -10.771 3.761 4.830 709 H VAL 110 HN VAL 110 -9.681 2.804 1.732 710 HA VAL 110 HA VAL 110 -6.829 3.285 2.411 711 HB VAL 110 HB VAL 110 -6.316 1.147 2.871 712 1HG1 VAL 110 HG11 VAL 110 -8.569 1.196 4.209 713 2HG1 VAL 110 HG12 VAL 110 -9.386 0.375 2.783 714 3HG1 VAL 110 HG13 VAL 110 -8.195 0.319 4.182 715 1HG2 VAL 110 HG21 VAL 110 -8.114 0.234 0.594 716 2HG2 VAL 110 HG22 VAL 110 -6.274 0.222 0.612 717 3HG2 VAL 110 HG23 VAL 110 -7.882 -0.493 1.159 718 H LYS 111 HN LYS 111 -5.430 2.599 0.564 719 HA LYS 111 HA LYS 111 -6.826 3.274 -1.980 720 1HB LYS 111 HB2 LYS 111 -3.850 3.213 -1.345 721 2HB LYS 111 HB1 LYS 111 -4.574 3.816 -2.838 722 1HG LYS 111 HG2 LYS 111 -5.867 5.480 -1.468 723 2HG LYS 111 HG1 LYS 111 -4.953 4.961 -0.049 724 1HD LYS 111 HD2 LYS 111 -2.838 5.535 -1.276 725 2HD LYS 111 HD1 LYS 111 -3.821 6.184 -2.587 726 1HE LYS 111 HE2 LYS 111 -4.937 7.678 -0.836 727 2HE LYS 111 HE1 LYS 111 -3.622 7.216 0.260 728 1HZ LYS 111 HZ1 LYS 111 -2.591 8.184 -2.250 729 2HZ LYS 111 HZ2 LYS 111 -3.378 9.449 -1.269 730 3HZ LYS 111 HZ3 LYS 111 -2.093 8.234 -1.455 731 H ASP 112 HN ASP 112 -6.684 1.974 -3.754 732 HA ASP 112 HA ASP 112 -5.996 -0.884 -3.206 733 1HB ASP 112 HB2 ASP 112 -8.297 -0.301 -4.092 734 2HB ASP 112 HB1 ASP 112 -7.521 0.223 -5.580 735 H ILE 113 HN ILE 113 -3.974 -1.302 -3.762 736 HA ILE 113 HA ILE 113 -2.746 0.081 -6.079 737 HB ILE 113 HB ILE 113 -1.466 -1.893 -4.159 738 1HG1 ILE 113 HG12 ILE 113 -2.631 0.512 -3.436 739 2HG1 ILE 113 HG11 ILE 113 -1.274 -0.244 -2.605 740 1HG2 ILE 113 HG21 ILE 113 -0.397 -0.075 -6.277 741 2HG2 ILE 113 HG22 ILE 113 0.701 -0.562 -4.908 742 3HG2 ILE 113 HG23 ILE 113 -0.238 -1.004 -6.446 743 1HD1 ILE 113 HD11 ILE 113 -1.023 2.264 -3.929 744 2HD1 ILE 113 HD12 ILE 113 0.431 1.232 -3.500 745 3HD1 ILE 113 HD13 ILE 113 -0.781 1.839 -4.748 746 H VAL 114 HN VAL 114 -2.212 -0.967 -7.938 747 HA VAL 114 HA VAL 114 -3.200 -3.767 -8.222 748 HB VAL 114 HB VAL 114 -2.485 -1.618 -10.259 749 1HG1 VAL 114 HG11 VAL 114 -2.852 -4.563 -10.750 750 2HG1 VAL 114 HG12 VAL 114 -3.548 -3.405 -11.999 751 3HG1 VAL 114 HG13 VAL 114 -2.097 -4.100 -11.101 752 1HG2 VAL 114 HG21 VAL 114 -4.955 -1.903 -9.049 753 2HG2 VAL 114 HG22 VAL 114 -4.927 -1.529 -10.831 754 3HG2 VAL 114 HG23 VAL 114 -5.206 -2.734 -9.447 755 H GLY 115 HN GLY 115 -1.916 -5.369 -8.912 756 1HA GLY 115 HA2 GLY 115 0.066 -6.515 -9.536 757 2HA GLY 115 HA1 GLY 115 0.852 -4.951 -9.754 758 H GLY 116 HN GLY 116 2.394 -4.555 -8.340 759 1HA GLY 116 HA2 GLY 116 3.292 -4.243 -6.110 760 2HA GLY 116 HA1 GLY 116 2.104 -5.405 -5.513 761 H TYR 117 HN TYR 117 2.465 -7.593 -5.912 762 HA TYR 117 HA TYR 117 5.053 -8.627 -5.440 763 1HB TYR 117 HB2 TYR 117 2.942 -9.808 -4.990 764 2HB TYR 117 HB1 TYR 117 2.652 -9.932 -6.719 765 HD1 TYR 117 HD1 TYR 117 4.869 -11.046 -3.951 766 HD2 TYR 117 HD2 TYR 117 3.716 -11.653 -8.060 767 HE1 TYR 117 HE1 TYR 117 6.106 -13.174 -3.988 768 HE2 TYR 117 HE2 TYR 117 4.967 -13.782 -8.092 769 HH TYR 117 HH TYR 117 6.740 -14.920 -5.197 770 H SER 118 HN SER 118 3.223 -8.360 -8.447 771 HA SER 118 HA SER 118 5.123 -9.623 -10.163 772 1HB SER 118 HB2 SER 118 3.217 -7.370 -10.852 773 2HB SER 118 HB1 SER 118 3.984 -8.468 -11.997 774 HG SER 118 HG SER 118 2.649 -10.021 -11.390 775 H ALA 119 HN ALA 119 4.815 -6.308 -9.080 776 HA ALA 119 HA ALA 119 6.993 -5.346 -10.722 777 1HB ALA 119 HB1 ALA 119 5.781 -3.383 -9.817 778 2HB ALA 119 HB2 ALA 119 5.478 -4.197 -8.181 779 3HB ALA 119 HB3 ALA 119 6.574 -3.274 -9.308 780 H TRP 120 HN TRP 120 6.677 -6.135 -7.284 781 HA TRP 120 HA TRP 120 9.380 -5.692 -6.504 782 1HB TRP 120 HB2 TRP 120 7.038 -7.097 -5.438 783 2HB TRP 120 HB1 TRP 120 8.514 -7.986 -5.084 784 HD1 TRP 120 HD1 TRP 120 9.856 -7.154 -3.008 785 HE1 TRP 120 HE1 TRP 120 9.736 -5.044 -1.540 786 HE3 TRP 120 HE3 TRP 120 6.465 -4.385 -5.606 787 HZ2 TRP 120 HZ2 TRP 120 8.396 -2.514 -1.449 788 HZ3 TRP 120 HZ3 TRP 120 5.766 -2.147 -4.839 789 HH2 TRP 120 HH2 TRP 120 6.741 -1.210 -2.743 790 H ALA 121 HN ALA 121 7.807 -8.443 -8.027 791 HA ALA 121 HA ALA 121 10.096 -10.167 -8.061 792 1HB ALA 121 HB1 ALA 121 7.447 -10.367 -9.329 793 2HB ALA 121 HB2 ALA 121 8.802 -11.094 -10.361 794 3HB ALA 121 HB3 ALA 121 7.834 -11.064 -8.816 795 H LYS 122 HN LYS 122 9.152 -7.425 -9.930 796 HA LYS 122 HA LYS 122 10.711 -7.806 -12.287 797 1HB LYS 122 HB2 LYS 122 9.034 -5.894 -11.680 798 2HB LYS 122 HB1 LYS 122 10.428 -5.106 -10.931 799 1HG LYS 122 HG2 LYS 122 11.652 -5.496 -13.150 800 2HG LYS 122 HG1 LYS 122 10.068 -5.896 -13.820 801 1HD LYS 122 HD2 LYS 122 10.903 -3.275 -12.565 802 2HD LYS 122 HD1 LYS 122 10.452 -3.551 -14.248 803 1HE LYS 122 HE2 LYS 122 8.485 -2.628 -13.304 804 2HE LYS 122 HE1 LYS 122 8.188 -4.373 -13.229 805 1HZ LYS 122 HZ1 LYS 122 8.751 -4.225 -10.826 806 2HZ LYS 122 HZ2 LYS 122 9.252 -2.522 -10.937 807 3HZ LYS 122 HZ3 LYS 122 7.951 -3.741 -10.901 808 H ASN 123 HN ASN 123 11.544 -6.492 -9.092 809 HA ASN 123 HA ASN 123 14.432 -6.268 -9.855 810 1HB ASN 123 HB2 ASN 123 13.015 -5.734 -7.230 811 2HB ASN 123 HB1 ASN 123 14.712 -5.404 -7.561 812 1HD2 ASN 123 HD21 ASN 123 12.976 -3.359 -6.760 813 2HD2 ASN 123 HD22 ASN 123 12.751 -2.283 -8.046 814 H GLY 124 HN GLY 124 12.756 -7.617 -7.044 815 1HA GLY 124 HA2 GLY 124 12.849 -10.070 -6.572 816 2HA GLY 124 HA1 GLY 124 14.473 -10.064 -7.271 817 H LEU 125 HN LEU 125 12.909 -7.896 -4.929 818 HA LEU 125 HA LEU 125 15.085 -8.612 -2.994 819 1HB LEU 125 HB2 LEU 125 14.021 -5.880 -3.749 820 2HB LEU 125 HB1 LEU 125 14.846 -6.159 -2.213 821 HG LEU 125 HG LEU 125 16.126 -7.184 -4.719 822 1HD1 LEU 125 HD11 LEU 125 15.729 -4.653 -5.218 823 2HD1 LEU 125 HD12 LEU 125 16.653 -4.215 -3.687 824 3HD1 LEU 125 HD13 LEU 125 16.631 -4.880 -5.412 825 1HD2 LEU 125 HD21 LEU 125 17.835 -5.993 -2.660 826 2HD2 LEU 125 HD22 LEU 125 16.860 -7.411 -2.039 827 3HD2 LEU 125 HD23 LEU 125 18.148 -6.739 -3.173 828 HA PRO 126 HA PRO 126 11.057 -8.907 -0.852 829 1HB PRO 126 HB2 PRO 126 11.082 -11.641 -0.413 830 2HB PRO 126 HB1 PRO 126 10.388 -10.853 -1.840 831 1HG PRO 126 HG2 PRO 126 12.672 -12.561 -1.677 832 2HG PRO 126 HG1 PRO 126 11.910 -11.851 -3.108 833 1HD PRO 126 HD2 PRO 126 14.323 -10.967 -1.658 834 2HD PRO 126 HD1 PRO 126 13.802 -10.591 -3.316 835 H THR 127 HN THR 127 11.318 -8.242 1.195 836 HA THR 127 HA THR 127 13.419 -9.428 2.914 837 HB THR 127 HB THR 127 11.493 -7.116 3.370 838 HG1 THR 127 HG1 THR 127 14.047 -7.351 2.281 839 1HG2 THR 127 HG21 THR 127 12.628 -8.164 5.536 840 2HG2 THR 127 HG22 THR 127 14.171 -7.341 4.918 841 3HG2 THR 127 HG23 THR 127 12.466 -7.236 5.537 842 H LYS 128 HN LYS 128 12.962 -10.751 4.566 843 HA LYS 128 HA LYS 128 10.444 -11.009 5.892 844 1HB LYS 128 HB2 LYS 128 9.747 -13.213 4.960 845 2HB LYS 128 HB1 LYS 128 9.702 -11.941 3.747 846 1HG LYS 128 HG2 LYS 128 12.295 -13.263 3.824 847 2HG LYS 128 HG1 LYS 128 10.988 -14.393 3.468 848 1HD LYS 128 HD2 LYS 128 10.220 -12.915 1.661 849 2HD LYS 128 HD1 LYS 128 11.532 -11.789 2.026 850 1HE LYS 128 HE2 LYS 128 13.058 -13.051 0.925 851 2HE LYS 128 HE1 LYS 128 12.454 -14.539 1.668 852 1HZ LYS 128 HZ1 LYS 128 10.660 -13.578 -0.360 853 2HZ LYS 128 HZ2 LYS 128 12.198 -14.194 -1.008 854 3HZ LYS 128 HZ3 LYS 128 10.678 -14.486 -0.127 855 H ALA 129 HN ALA 129 10.624 -12.412 7.611 856 HA ALA 129 HA ALA 129 11.805 -13.541 9.312 857 1HB ALA 129 HB1 ALA 129 12.786 -15.631 8.338 858 2HB ALA 129 HB2 ALA 129 11.830 -15.110 6.850 859 3HB ALA 129 HB3 ALA 129 13.430 -15.279 7.730 Start of MODEL 4 1 H ALA 11 HN ALA 11 -9.014 20.041 9.979 2 HA ALA 11 HA ALA 11 -10.801 17.780 10.572 3 1HB ALA 11 HB1 ALA 11 -11.317 20.184 8.792 4 2HB ALA 11 HB2 ALA 11 -12.598 19.033 9.417 5 3HB ALA 11 HB3 ALA 11 -11.403 20.402 9.710 6 H GLU 12 HN GLU 12 -8.271 17.352 9.258 7 HA GLU 12 HA GLU 12 -8.889 16.673 6.464 8 1HB GLU 12 HB2 GLU 12 -6.450 16.034 8.145 9 2HB GLU 12 HB1 GLU 12 -6.607 15.744 6.415 10 1HG GLU 12 HG2 GLU 12 -6.944 18.188 6.065 11 2HG GLU 12 HG1 GLU 12 -6.690 18.448 7.792 12 H GLU 13 HN GLU 13 -9.979 15.432 9.137 13 HA GLU 13 HA GLU 13 -9.322 12.641 9.074 14 1HB GLU 13 HB2 GLU 13 -11.951 13.896 9.938 15 2HB GLU 13 HB1 GLU 13 -11.333 12.311 10.408 16 1HG GLU 13 HG2 GLU 13 -9.964 14.946 11.026 17 2HG GLU 13 HG1 GLU 13 -10.955 14.034 12.166 18 H SER 14 HN SER 14 -12.086 11.719 8.924 19 HA SER 14 HA SER 14 -13.718 11.017 7.338 20 1HB SER 14 HB2 SER 14 -14.058 12.239 5.412 21 2HB SER 14 HB1 SER 14 -13.053 13.400 6.278 22 HG SER 14 HG SER 14 -12.356 12.904 4.104 23 H ARG 15 HN ARG 15 -13.715 9.164 6.116 24 HA ARG 15 HA ARG 15 -11.053 8.104 5.207 25 1HB ARG 15 HB2 ARG 15 -13.247 6.657 6.693 26 2HB ARG 15 HB1 ARG 15 -11.951 5.823 5.832 27 1HG ARG 15 HG2 ARG 15 -10.326 7.110 7.220 28 2HG ARG 15 HG1 ARG 15 -11.680 7.828 8.090 29 1HD ARG 15 HD2 ARG 15 -12.391 5.485 8.549 30 2HD ARG 15 HD1 ARG 15 -10.691 5.019 8.132 31 HE ARG 15 HE ARG 15 -10.989 5.964 10.755 32 1HH1 ARG 15 HH21 ARG 15 -8.923 5.616 9.177 33 2HH1 ARG 15 HH22 ARG 15 -8.391 7.210 8.107 34 1HH2 ARG 15 HH11 ARG 15 -9.903 6.633 11.538 35 2HH2 ARG 15 HH12 ARG 15 -9.504 8.597 11.162 36 H VAL 16 HN VAL 16 -11.004 7.612 3.169 37 HA VAL 16 HA VAL 16 -13.472 6.688 1.796 38 HB VAL 16 HB VAL 16 -11.696 8.825 0.616 39 1HG1 VAL 16 HG11 VAL 16 -13.291 8.034 -1.147 40 2HG1 VAL 16 HG12 VAL 16 -14.644 7.730 0.060 41 3HG1 VAL 16 HG13 VAL 16 -13.667 8.897 -0.980 42 1HG2 VAL 16 HG21 VAL 16 -14.235 9.440 2.144 43 2HG2 VAL 16 HG22 VAL 16 -12.546 9.894 2.699 44 3HG2 VAL 16 HG23 VAL 16 -13.969 10.143 1.554 45 HA PRO 17 HA PRO 17 -10.336 4.199 -0.080 46 1HB PRO 17 HB2 PRO 17 -11.968 2.781 -1.804 47 2HB PRO 17 HB1 PRO 17 -11.888 2.513 -0.054 48 1HG PRO 17 HG2 PRO 17 -14.048 3.589 -1.628 49 2HG PRO 17 HG1 PRO 17 -14.033 3.069 0.064 50 1HD PRO 17 HD2 PRO 17 -13.855 5.785 -1.021 51 2HD PRO 17 HD1 PRO 17 -14.160 5.265 0.649 52 H SER 18 HN SER 18 -9.376 3.752 -2.157 53 HA SER 18 HA SER 18 -10.162 5.261 -4.541 54 1HB SER 18 HB2 SER 18 -8.946 6.920 -2.971 55 2HB SER 18 HB1 SER 18 -7.493 5.998 -3.346 56 HG SER 18 HG SER 18 -8.169 7.903 -4.723 57 H SER 19 HN SER 19 -8.952 4.665 -6.346 58 HA SER 19 HA SER 19 -7.316 2.177 -5.973 59 1HB SER 19 HB2 SER 19 -7.961 1.598 -8.239 60 2HB SER 19 HB1 SER 19 -9.413 1.983 -7.323 61 HG SER 19 HG SER 19 -9.392 4.024 -8.282 62 H VAL 20 HN VAL 20 -5.365 2.023 -6.938 63 HA VAL 20 HA VAL 20 -4.343 4.308 -8.515 64 HB VAL 20 HB VAL 20 -3.333 5.180 -6.715 65 1HG1 VAL 20 HG11 VAL 20 -3.328 3.476 -4.490 66 2HG1 VAL 20 HG12 VAL 20 -4.987 3.986 -5.146 67 3HG1 VAL 20 HG13 VAL 20 -3.678 2.729 -4.984 68 1HG2 VAL 20 HG21 VAL 20 -1.118 4.113 -6.442 69 2HG2 VAL 20 HG22 VAL 20 -1.775 2.410 -6.542 70 3HG2 VAL 20 HG23 VAL 20 -1.209 3.955 -7.381 71 H SER 21 HN SER 21 -1.912 3.697 -9.090 72 HA SER 21 HA SER 21 -1.913 0.790 -9.875 73 1HB SER 21 HB2 SER 21 -0.891 3.198 -11.408 74 2HB SER 21 HB1 SER 21 -0.614 1.526 -11.888 75 HG SER 21 HG SER 21 -2.872 1.270 -11.987 76 H VAL 22 HN VAL 22 0.082 -0.230 -9.899 77 HA VAL 22 HA VAL 22 1.803 0.200 -7.757 78 HB VAL 22 HB VAL 22 1.606 -1.832 -9.349 79 1HG1 VAL 22 HG11 VAL 22 2.203 -0.705 -11.579 80 2HG1 VAL 22 HG12 VAL 22 3.898 -0.321 -10.970 81 3HG1 VAL 22 HG13 VAL 22 2.665 -1.535 -11.545 82 1HG2 VAL 22 HG21 VAL 22 4.521 -1.218 -8.791 83 2HG2 VAL 22 HG22 VAL 22 3.368 -1.640 -7.431 84 3HG2 VAL 22 HG23 VAL 22 4.258 -2.116 -8.962 85 H THR 23 HN THR 23 1.835 1.663 -10.927 86 HA THR 23 HA THR 23 4.420 2.842 -10.899 87 HB THR 23 HB THR 23 3.707 3.937 -12.794 88 HG1 THR 23 HG1 THR 23 2.731 5.485 -11.500 89 1HG2 THR 23 HG21 THR 23 2.050 1.681 -12.726 90 2HG2 THR 23 HG22 THR 23 0.832 3.080 -12.965 91 3HG2 THR 23 HG23 THR 23 2.281 2.155 -13.525 92 H VAL 24 HN VAL 24 1.313 4.342 -9.884 93 HA VAL 24 HA VAL 24 2.622 6.625 -8.670 94 HB VAL 24 HB VAL 24 0.045 5.790 -7.441 95 1HG1 VAL 24 HG11 VAL 24 0.072 8.345 -8.847 96 2HG1 VAL 24 HG12 VAL 24 0.390 8.128 -7.040 97 3HG1 VAL 24 HG13 VAL 24 1.017 8.345 -8.745 98 1HG2 VAL 24 HG21 VAL 24 -0.342 5.005 -9.912 99 2HG2 VAL 24 HG22 VAL 24 -1.267 6.580 -9.715 100 3HG2 VAL 24 HG23 VAL 24 0.145 5.639 -10.444 101 H ALA 25 HN ALA 25 1.693 3.458 -7.497 102 HA ALA 25 HA ALA 25 1.987 3.795 -4.703 103 1HB ALA 25 HB1 ALA 25 2.722 1.297 -4.959 104 2HB ALA 25 HB2 ALA 25 1.282 1.580 -6.035 105 3HB ALA 25 HB3 ALA 25 3.093 1.244 -5.836 106 H HIS 26 HN HIS 26 4.431 3.476 -7.238 107 HA HIS 26 HA HIS 26 6.740 3.254 -5.560 108 1HB HIS 26 HB2 HIS 26 6.695 2.919 -8.066 109 2HB HIS 26 HB1 HIS 26 6.532 4.661 -8.252 110 HD1 HIS 26 HD1 HIS 26 8.646 6.089 -7.977 111 HD2 HIS 26 HD2 HIS 26 9.254 2.087 -6.985 112 HE1 HIS 26 HE1 HIS 26 11.142 5.800 -7.620 113 HE2 HIS 26 HE2 HIS 26 11.534 3.389 -6.992 114 H ASP 27 HN ASP 27 5.110 6.108 -6.940 115 HA ASP 27 HA ASP 27 6.773 8.121 -5.705 116 1HB ASP 27 HB2 ASP 27 4.982 8.548 -7.467 117 2HB ASP 27 HB1 ASP 27 3.787 8.323 -6.195 118 H LEU 28 HN LEU 28 3.799 6.530 -4.654 119 HA LEU 28 HA LEU 28 3.611 7.931 -2.141 120 1HB LEU 28 HB2 LEU 28 2.453 5.244 -2.963 121 2HB LEU 28 HB1 LEU 28 1.923 6.214 -1.590 122 HG LEU 28 HG LEU 28 1.791 6.990 -4.552 123 1HD1 LEU 28 HD11 LEU 28 -0.757 6.766 -3.774 124 2HD1 LEU 28 HD12 LEU 28 0.070 5.129 -3.651 125 3HD1 LEU 28 HD13 LEU 28 -0.696 6.605 -2.844 126 1HD2 LEU 28 HD21 LEU 28 0.625 9.042 -3.437 127 2HD2 LEU 28 HD22 LEU 28 1.264 8.501 -1.804 128 3HD2 LEU 28 HD23 LEU 28 1.559 9.223 -3.469 129 H LEU 29 HN LEU 29 4.684 4.641 -2.959 130 HA LEU 29 HA LEU 29 5.684 3.900 -0.369 131 1HB LEU 29 HB2 LEU 29 5.329 2.446 -2.510 132 2HB LEU 29 HB1 LEU 29 6.889 3.047 -3.047 133 HG LEU 29 HG LEU 29 6.195 1.205 -0.793 134 1HD1 LEU 29 HD11 LEU 29 7.986 0.942 -3.151 135 2HD1 LEU 29 HD12 LEU 29 8.414 -0.003 -1.619 136 3HD1 LEU 29 HD13 LEU 29 7.268 0.336 -2.990 137 1HD2 LEU 29 HD21 LEU 29 8.775 2.794 -0.668 138 2HD2 LEU 29 HD22 LEU 29 7.465 2.766 0.632 139 3HD2 LEU 29 HD23 LEU 29 8.871 1.952 -0.225 140 H LEU 30 HN LEU 30 7.229 5.522 -3.152 141 HA LEU 30 HA LEU 30 9.874 5.803 -2.066 142 1HB LEU 30 HB2 LEU 30 9.470 6.343 -4.411 143 2HB LEU 30 HB1 LEU 30 8.257 7.548 -3.997 144 HG LEU 30 HG LEU 30 10.570 8.370 -4.671 145 1HD1 LEU 30 HD11 LEU 30 10.400 10.200 -2.755 146 2HD1 LEU 30 HD12 LEU 30 8.732 9.781 -3.398 147 3HD1 LEU 30 HD13 LEU 30 9.994 9.652 -2.081 148 1HD2 LEU 30 HD21 LEU 30 11.656 7.857 -1.952 149 2HD2 LEU 30 HD22 LEU 30 11.881 6.584 -3.252 150 3HD2 LEU 30 HD23 LEU 30 12.254 8.255 -2.586 151 H ALA 31 HN ALA 31 6.893 7.622 -1.607 152 HA ALA 31 HA ALA 31 8.104 9.764 -0.068 153 1HB ALA 31 HB1 ALA 31 5.232 9.092 -0.647 154 2HB ALA 31 HB2 ALA 31 5.614 10.270 0.732 155 3HB ALA 31 HB3 ALA 31 5.654 9.847 -1.039 156 H GLY 32 HN GLY 32 7.203 6.542 0.556 157 1HA GLY 32 HA2 GLY 32 7.954 5.330 2.513 158 2HA GLY 32 HA1 GLY 32 7.996 6.854 3.405 159 H HIS 33 HN HIS 33 5.458 5.288 1.488 160 HA HIS 33 HA HIS 33 3.633 5.634 3.841 161 1HB HIS 33 HB2 HIS 33 3.052 5.381 0.875 162 2HB HIS 33 HB1 HIS 33 1.806 5.417 2.124 163 HD1 HIS 33 HD1 HIS 33 3.421 7.650 -0.145 164 HD2 HIS 33 HD2 HIS 33 2.296 7.902 3.860 165 HE1 HIS 33 HE1 HIS 33 3.299 10.123 0.425 166 HE2 HIS 33 HE2 HIS 33 2.593 10.299 2.839 167 H ARG 34 HN ARG 34 2.614 3.908 4.670 168 HA ARG 34 HA ARG 34 3.696 1.276 4.337 169 1HB ARG 34 HB2 ARG 34 1.065 2.124 5.600 170 2HB ARG 34 HB1 ARG 34 1.802 0.534 5.755 171 1HG ARG 34 HG2 ARG 34 3.840 1.601 6.805 172 2HG ARG 34 HG1 ARG 34 3.007 3.149 6.717 173 1HD ARG 34 HD2 ARG 34 1.200 2.139 8.198 174 2HD ARG 34 HD1 ARG 34 2.128 0.695 8.292 175 HE ARG 34 HE ARG 34 2.324 3.167 10.175 176 1HH1 ARG 34 HH21 ARG 34 3.486 0.761 10.249 177 2HH1 ARG 34 HH22 ARG 34 5.156 0.620 9.171 178 1HH2 ARG 34 HH11 ARG 34 3.498 3.407 11.148 179 2HH2 ARG 34 HH12 ARG 34 5.314 3.913 10.365 180 H TYR 35 HN TYR 35 3.025 -0.442 3.216 181 HA TYR 35 HA TYR 35 0.758 -0.094 1.281 182 1HB TYR 35 HB2 TYR 35 2.715 0.066 -0.015 183 2HB TYR 35 HB1 TYR 35 3.536 -1.200 0.895 184 HD1 TYR 35 HD1 TYR 35 0.179 -0.927 -0.812 185 HD2 TYR 35 HD2 TYR 35 3.857 -3.148 -0.432 186 HE1 TYR 35 HE1 TYR 35 -0.634 -2.559 -2.471 187 HE2 TYR 35 HE2 TYR 35 3.030 -4.778 -2.091 188 HH TYR 35 HH TYR 35 0.471 -5.511 -2.873 189 H LEU 36 HN LEU 36 -0.780 -1.573 1.803 190 HA LEU 36 HA LEU 36 -0.050 -4.075 3.242 191 1HB LEU 36 HB2 LEU 36 -2.584 -2.537 2.658 192 2HB LEU 36 HB1 LEU 36 -2.697 -4.215 3.168 193 HG LEU 36 HG LEU 36 -1.089 -2.180 4.761 194 1HD1 LEU 36 HD11 LEU 36 -4.058 -2.401 4.701 195 2HD1 LEU 36 HD12 LEU 36 -3.301 -2.063 6.324 196 3HD1 LEU 36 HD13 LEU 36 -3.718 -1.523 4.602 197 1HD2 LEU 36 HD21 LEU 36 -0.896 -4.203 6.073 198 2HD2 LEU 36 HD22 LEU 36 -2.696 -4.418 6.181 199 3HD2 LEU 36 HD23 LEU 36 -1.086 -4.818 5.367 200 H ASP 37 HN ASP 37 0.628 -5.602 1.894 201 HA ASP 37 HA ASP 37 -0.437 -5.888 -0.869 202 1HB ASP 37 HB2 ASP 37 2.037 -6.144 -0.295 203 2HB ASP 37 HB1 ASP 37 1.601 -7.619 0.562 204 H VAL 38 HN VAL 38 -2.115 -7.193 -1.216 205 HA VAL 38 HA VAL 38 -2.445 -9.605 0.520 206 HB VAL 38 HB VAL 38 -4.903 -9.271 0.642 207 1HG1 VAL 38 HG11 VAL 38 -4.593 -7.237 2.265 208 2HG1 VAL 38 HG12 VAL 38 -2.929 -8.016 2.218 209 3HG1 VAL 38 HG13 VAL 38 -4.053 -6.664 1.720 210 1HG2 VAL 38 HG21 VAL 38 -5.403 -7.755 -1.363 211 2HG2 VAL 38 HG22 VAL 38 -5.427 -6.494 -0.031 212 3HG2 VAL 38 HG23 VAL 38 -4.580 -7.302 -1.451 213 H ARG 39 HN ARG 39 -1.567 -10.737 -1.172 214 HA ARG 39 HA ARG 39 -2.787 -10.710 -3.867 215 1HB ARG 39 HB2 ARG 39 -0.679 -12.501 -2.590 216 2HB ARG 39 HB1 ARG 39 -1.195 -12.613 -4.277 217 1HG ARG 39 HG2 ARG 39 -0.610 -10.070 -4.392 218 2HG ARG 39 HG1 ARG 39 0.286 -10.361 -2.908 219 1HD ARG 39 HD2 ARG 39 1.828 -10.451 -4.701 220 2HD ARG 39 HD1 ARG 39 1.594 -12.118 -4.100 221 HE ARG 39 HE ARG 39 0.031 -12.221 -6.491 222 1HH1 ARG 39 HH21 ARG 39 2.411 -13.276 -5.840 223 2HH1 ARG 39 HH22 ARG 39 3.977 -12.120 -6.248 224 1HH2 ARG 39 HH11 ARG 39 0.576 -12.674 -7.837 225 2HH2 ARG 39 HH12 ARG 39 1.776 -11.404 -8.890 226 H THR 40 HN THR 40 -2.532 -12.928 -1.100 227 HA THR 40 HA THR 40 -5.210 -13.875 -1.246 228 HB THR 40 HB THR 40 -4.087 -16.200 -2.317 229 HG1 THR 40 HG1 THR 40 -3.448 -14.257 -4.154 230 1HG2 THR 40 HG21 THR 40 -5.648 -15.372 -4.265 231 2HG2 THR 40 HG22 THR 40 -6.472 -15.004 -2.663 232 3HG2 THR 40 HG23 THR 40 -5.588 -14.420 -4.172 233 HA PRO 41 HA PRO 41 -4.152 -15.944 2.473 234 1HB PRO 41 HB2 PRO 41 -5.241 -18.527 1.440 235 2HB PRO 41 HB1 PRO 41 -5.736 -17.564 2.844 236 1HG PRO 41 HG2 PRO 41 -7.177 -17.732 0.567 237 2HG PRO 41 HG1 PRO 41 -7.212 -16.342 1.662 238 1HD PRO 41 HD2 PRO 41 -5.999 -16.565 -1.030 239 2HD PRO 41 HD1 PRO 41 -6.533 -15.118 -0.149 240 H GLU 42 HN GLU 42 -3.440 -17.699 -0.497 241 HA GLU 42 HA GLU 42 -1.492 -19.537 0.537 242 1HB GLU 42 HB2 GLU 42 -1.690 -18.234 -2.204 243 2HB GLU 42 HB1 GLU 42 -0.649 -19.605 -1.808 244 1HG GLU 42 HG2 GLU 42 -2.661 -20.896 -1.116 245 2HG GLU 42 HG1 GLU 42 -3.670 -19.539 -1.616 246 H GLU 43 HN GLU 43 -1.349 -16.142 -0.338 247 HA GLU 43 HA GLU 43 1.470 -15.776 -0.533 248 1HB GLU 43 HB2 GLU 43 -0.298 -14.016 -0.972 249 2HB GLU 43 HB1 GLU 43 -0.475 -13.843 0.777 250 1HG GLU 43 HG2 GLU 43 1.959 -13.307 0.932 251 2HG GLU 43 HG1 GLU 43 2.055 -13.373 -0.828 252 H PHE 44 HN PHE 44 -0.600 -16.235 2.210 253 HA PHE 44 HA PHE 44 1.285 -15.478 4.300 254 1HB PHE 44 HB2 PHE 44 -1.179 -15.577 4.583 255 2HB PHE 44 HB1 PHE 44 -1.123 -17.318 4.358 256 HD1 PHE 44 HD1 PHE 44 -0.481 -14.522 6.629 257 HD2 PHE 44 HD2 PHE 44 -0.097 -18.787 6.104 258 HE1 PHE 44 HE1 PHE 44 -0.099 -14.783 9.057 259 HE2 PHE 44 HE2 PHE 44 0.292 -19.043 8.535 260 HZ PHE 44 HZ PHE 44 0.292 -17.044 10.017 261 H SER 45 HN SER 45 0.351 -18.470 2.681 262 HA SER 45 HA SER 45 1.634 -20.402 4.287 263 1HB SER 45 HB2 SER 45 0.222 -20.811 2.192 264 2HB SER 45 HB1 SER 45 1.674 -20.462 1.258 265 HG SER 45 HG SER 45 1.615 -22.356 3.354 266 H GLN 46 HN GLN 46 2.999 -18.533 1.594 267 HA GLN 46 HA GLN 46 5.726 -19.386 2.496 268 1HB GLN 46 HB2 GLN 46 6.510 -18.770 0.292 269 2HB GLN 46 HB1 GLN 46 5.067 -19.762 0.082 270 1HG GLN 46 HG2 GLN 46 3.743 -17.601 -0.080 271 2HG GLN 46 HG1 GLN 46 5.287 -16.756 -0.122 272 1HE2 GLN 46 HE21 GLN 46 5.205 -16.037 -2.274 273 2HE2 GLN 46 HE22 GLN 46 5.183 -17.073 -3.610 274 H GLY 47 HN GLY 47 3.552 -16.759 2.336 275 1HA GLY 47 HA2 GLY 47 3.723 -14.653 3.435 276 2HA GLY 47 HA1 GLY 47 5.405 -15.023 3.802 277 H HIS 48 HN HIS 48 5.405 -12.666 3.168 278 HA HIS 48 HA HIS 48 6.874 -12.327 0.805 279 1HB HIS 48 HB2 HIS 48 5.190 -12.605 -0.717 280 2HB HIS 48 HB1 HIS 48 3.931 -12.160 0.426 281 HD1 HIS 48 HD1 HIS 48 6.156 -10.809 -2.215 282 HD2 HIS 48 HD2 HIS 48 3.572 -9.264 0.666 283 HE1 HIS 48 HE1 HIS 48 5.792 -8.373 -2.808 284 HE2 HIS 48 HE2 HIS 48 4.208 -7.416 -1.094 285 H ALA 49 HN ALA 49 8.101 -10.976 1.868 286 HA ALA 49 HA ALA 49 7.157 -8.236 2.312 287 1HB ALA 49 HB1 ALA 49 7.923 -8.510 4.875 288 2HB ALA 49 HB2 ALA 49 6.421 -9.503 4.514 289 3HB ALA 49 HB3 ALA 49 8.225 -9.410 4.849 290 H CYS 50 HN CYS 50 8.850 -6.828 2.433 291 HA CYS 50 HA CYS 50 11.590 -7.401 2.958 292 1HB CYS 50 HB2 CYS 50 11.022 -8.545 0.595 293 2HB CYS 50 HB1 CYS 50 11.338 -6.888 0.034 294 HG CYS 50 HG CYS 50 13.519 -8.544 0.388 295 H GLY 51 HN GLY 51 9.826 -5.537 3.743 296 1HA GLY 51 HA2 GLY 51 10.555 -3.168 4.167 297 2HA GLY 51 HA1 GLY 51 10.794 -3.024 2.421 298 H ALA 52 HN ALA 52 8.127 -4.850 3.613 299 HA ALA 52 HA ALA 52 6.239 -2.563 3.404 300 1HB ALA 52 HB1 ALA 52 5.735 -3.206 1.137 301 2HB ALA 52 HB2 ALA 52 6.642 -4.786 1.230 302 3HB ALA 52 HB3 ALA 52 5.071 -3.834 1.415 303 H ILE 53 HN ILE 53 3.924 -3.611 3.508 304 HA ILE 53 HA ILE 53 4.031 -5.844 5.502 305 HB ILE 53 HB ILE 53 2.236 -3.389 5.461 306 1HG1 ILE 53 HG12 ILE 53 4.467 -4.213 7.359 307 2HG1 ILE 53 HG11 ILE 53 4.583 -2.972 6.098 308 1HG2 ILE 53 HG21 ILE 53 1.068 -5.307 6.644 309 2HG2 ILE 53 HG22 ILE 53 2.527 -5.626 7.694 310 3HG2 ILE 53 HG23 ILE 53 1.057 -4.590 7.269 311 1HD1 ILE 53 HD11 ILE 53 3.029 -2.634 8.617 312 2HD1 ILE 53 HD12 ILE 53 3.669 -1.322 7.503 313 3HD1 ILE 53 HD13 ILE 53 2.337 -2.492 7.970 314 H ASN 54 HN ASN 54 2.387 -7.324 5.401 315 HA ASN 54 HA ASN 54 0.500 -7.158 3.075 316 1HB ASN 54 HB2 ASN 54 0.903 -9.455 2.541 317 2HB ASN 54 HB1 ASN 54 2.468 -8.652 2.586 318 1HD2 ASN 54 HD21 ASN 54 3.965 -9.366 4.137 319 2HD2 ASN 54 HD22 ASN 54 3.674 -10.625 5.229 320 H VAL 55 HN VAL 55 -1.483 -7.998 3.441 321 HA VAL 55 HA VAL 55 -1.973 -9.331 6.046 322 HB VAL 55 HB VAL 55 -2.599 -6.575 5.403 323 1HG1 VAL 55 HG11 VAL 55 -5.171 -7.443 6.284 324 2HG1 VAL 55 HG12 VAL 55 -4.865 -6.912 4.570 325 3HG1 VAL 55 HG13 VAL 55 -5.141 -8.259 5.807 326 1HG2 VAL 55 HG21 VAL 55 -2.673 -6.664 7.856 327 2HG2 VAL 55 HG22 VAL 55 -3.481 -8.305 7.906 328 3HG2 VAL 55 HG23 VAL 55 -1.963 -7.296 7.731 329 HA PRO 56 HA PRO 56 -4.235 -11.422 2.731 330 1HB PRO 56 HB2 PRO 56 -3.677 -13.971 3.652 331 2HB PRO 56 HB1 PRO 56 -2.631 -13.045 2.562 332 1HG PRO 56 HG2 PRO 56 -2.266 -13.695 5.383 333 2HG PRO 56 HG1 PRO 56 -1.074 -13.253 4.150 334 1HD PRO 56 HD2 PRO 56 -2.134 -11.571 6.198 335 2HD PRO 56 HD1 PRO 56 -1.046 -11.099 4.875 336 H TYR 57 HN TYR 57 -5.851 -10.282 4.199 337 HA TYR 57 HA TYR 57 -7.866 -10.356 5.463 338 1HB TYR 57 HB2 TYR 57 -7.627 -13.123 4.295 339 2HB TYR 57 HB1 TYR 57 -9.044 -12.568 5.175 340 HD1 TYR 57 HD1 TYR 57 -10.352 -10.532 4.270 341 HD2 TYR 57 HD2 TYR 57 -7.264 -12.542 2.038 342 HE1 TYR 57 HE1 TYR 57 -11.162 -9.485 2.185 343 HE2 TYR 57 HE2 TYR 57 -8.077 -11.497 -0.037 344 HH TYR 57 HH TYR 57 -10.481 -8.966 -0.014 345 H MET 58 HN MET 58 -7.130 -13.693 5.984 346 HA MET 58 HA MET 58 -7.176 -13.279 8.907 347 1HB MET 58 HB2 MET 58 -7.049 -15.731 7.159 348 2HB MET 58 HB1 MET 58 -6.963 -15.795 8.918 349 1HG MET 58 HG2 MET 58 -9.158 -14.554 8.987 350 2HG MET 58 HG1 MET 58 -9.258 -14.764 7.232 351 1HE MET 58 HE1 MET 58 -8.922 -17.011 5.968 352 2HE MET 58 HE2 MET 58 -7.864 -18.214 6.898 353 3HE MET 58 HE3 MET 58 -9.478 -17.791 6.090 354 H ASN 59 HN ASN 59 -5.437 -13.212 10.137 355 HA ASN 59 HA ASN 59 -2.835 -14.320 9.181 356 1HB ASN 59 HB2 ASN 59 -2.890 -11.893 8.568 357 2HB ASN 59 HB1 ASN 59 -3.168 -11.519 10.269 358 1HD2 ASN 59 HD21 ASN 59 -0.817 -10.802 8.621 359 2HD2 ASN 59 HD22 ASN 59 0.524 -11.481 9.397 360 H ARG 60 HN ARG 60 -2.245 -15.653 10.765 361 HA ARG 60 HA ARG 60 -2.965 -14.950 13.604 362 1HB ARG 60 HB2 ARG 60 -2.995 -17.261 14.132 363 2HB ARG 60 HB1 ARG 60 -3.851 -17.136 12.595 364 1HG ARG 60 HG2 ARG 60 -1.518 -17.566 11.485 365 2HG ARG 60 HG1 ARG 60 -1.041 -18.141 13.081 366 1HD ARG 60 HD2 ARG 60 -3.010 -19.798 13.018 367 2HD ARG 60 HD1 ARG 60 -3.347 -19.258 11.375 368 HE ARG 60 HE ARG 60 -0.686 -20.354 10.990 369 1HH1 ARG 60 HH21 ARG 60 -1.345 -21.370 13.339 370 2HH1 ARG 60 HH22 ARG 60 -2.983 -22.499 13.346 371 1HH2 ARG 60 HH11 ARG 60 -0.202 -21.799 10.863 372 2HH2 ARG 60 HH12 ARG 60 -1.520 -23.211 10.212 373 H GLY 61 HN GLY 61 -1.321 -14.363 14.826 374 1HA GLY 61 HA2 GLY 61 0.849 -14.388 15.788 375 2HA GLY 61 HA1 GLY 61 1.271 -15.708 14.693 376 H ALA 62 HN ALA 62 1.120 -14.811 12.301 377 HA ALA 62 HA ALA 62 3.341 -13.127 11.868 378 1HB ALA 62 HB1 ALA 62 2.306 -13.111 9.490 379 2HB ALA 62 HB2 ALA 62 1.949 -14.774 10.156 380 3HB ALA 62 HB3 ALA 62 1.375 -13.090 9.664 381 H SER 63 HN SER 63 0.007 -12.410 12.482 382 HA SER 63 HA SER 63 0.462 -9.492 12.022 383 1HB SER 63 HB2 SER 63 -1.968 -11.236 12.267 384 2HB SER 63 HB1 SER 63 -2.093 -9.546 12.752 385 HG SER 63 HG SER 63 -2.447 -9.382 10.658 386 H GLY 64 HN GLY 64 1.129 -11.611 14.331 387 1HA GLY 64 HA2 GLY 64 1.781 -11.164 16.590 388 2HA GLY 64 HA1 GLY 64 0.943 -9.611 16.497 389 H MET 65 HN MET 65 -0.166 -12.900 15.892 390 HA MET 65 HA MET 65 -2.023 -14.102 16.738 391 1HB MET 65 HB2 MET 65 -1.310 -12.484 19.184 392 2HB MET 65 HB1 MET 65 -2.450 -13.828 19.159 393 1HG MET 65 HG2 MET 65 -0.636 -15.290 18.267 394 2HG MET 65 HG1 MET 65 0.497 -13.949 18.480 395 1HE MET 65 HE1 MET 65 0.896 -12.633 20.757 396 2HE MET 65 HE2 MET 65 -0.800 -12.537 21.494 397 3HE MET 65 HE3 MET 65 0.991 -12.960 21.664 398 H SER 66 HN SER 66 -2.981 -12.387 15.138 399 HA SER 66 HA SER 66 -5.533 -11.585 16.271 400 1HB SER 66 HB2 SER 66 -3.483 -9.473 15.609 401 2HB SER 66 HB1 SER 66 -5.209 -9.135 15.525 402 HG SER 66 HG SER 66 -3.568 -9.415 17.677 403 H LYS 67 HN LYS 67 -6.362 -12.836 14.634 404 HA LYS 67 HA LYS 67 -5.705 -12.082 11.829 405 1HB LYS 67 HB2 LYS 67 -6.929 -14.138 11.203 406 2HB LYS 67 HB1 LYS 67 -5.634 -14.488 12.348 407 1HG LYS 67 HG2 LYS 67 -7.221 -14.608 14.177 408 2HG LYS 67 HG1 LYS 67 -8.534 -14.084 13.119 409 1HD LYS 67 HD2 LYS 67 -8.533 -16.542 13.461 410 2HD LYS 67 HD1 LYS 67 -8.282 -16.107 11.769 411 1HE LYS 67 HE2 LYS 67 -6.739 -17.919 12.870 412 2HE LYS 67 HE1 LYS 67 -6.025 -16.672 11.839 413 1HZ LYS 67 HZ1 LYS 67 -5.554 -16.882 14.657 414 2HZ LYS 67 HZ2 LYS 67 -4.791 -15.713 13.555 415 3HZ LYS 67 HZ3 LYS 67 -6.080 -16.108 14.719 416 H ASN 68 HN ASN 68 -7.216 -11.283 10.480 417 HA ASN 68 HA ASN 68 -9.194 -9.506 11.387 418 1HB ASN 68 HB2 ASN 68 -9.092 -11.012 8.772 419 2HB ASN 68 HB1 ASN 68 -10.097 -9.600 9.089 420 1HD2 ASN 68 HD21 ASN 68 -7.339 -9.147 10.828 421 2HD2 ASN 68 HD22 ASN 68 -6.430 -8.259 9.712 422 H THR 69 HN THR 69 -11.120 -9.753 12.191 423 HA THR 69 HA THR 69 -12.928 -11.882 11.410 424 HB THR 69 HB THR 69 -11.411 -12.022 13.994 425 HG1 THR 69 HG1 THR 69 -10.605 -13.579 13.018 426 1HG2 THR 69 HG21 THR 69 -13.735 -13.768 13.707 427 2HG2 THR 69 HG22 THR 69 -13.222 -12.943 15.219 428 3HG2 THR 69 HG23 THR 69 -14.255 -12.978 13.661 429 H ASP 70 HN ASP 70 -12.135 -9.194 13.516 430 HA ASP 70 HA ASP 70 -14.980 -8.348 13.423 431 1HB ASP 70 HB2 ASP 70 -14.936 -7.864 15.911 432 2HB ASP 70 HB1 ASP 70 -15.054 -9.571 15.501 433 H PHE 71 HN PHE 71 -13.504 -6.991 12.027 434 HA PHE 71 HA PHE 71 -11.538 -5.173 12.831 435 1HB PHE 71 HB2 PHE 71 -13.874 -4.429 11.077 436 2HB PHE 71 HB1 PHE 71 -12.233 -3.807 10.991 437 HD1 PHE 71 HD1 PHE 71 -10.359 -5.546 10.480 438 HD2 PHE 71 HD2 PHE 71 -14.545 -6.227 9.677 439 HE1 PHE 71 HE1 PHE 71 -9.756 -7.278 8.824 440 HE2 PHE 71 HE2 PHE 71 -13.936 -7.969 8.023 441 HZ PHE 71 HZ PHE 71 -11.541 -8.499 7.592 442 H LEU 72 HN LEU 72 -14.941 -5.217 13.538 443 HA LEU 72 HA LEU 72 -15.370 -2.527 14.244 444 1HB LEU 72 HB2 LEU 72 -16.620 -4.864 15.746 445 2HB LEU 72 HB1 LEU 72 -17.277 -3.250 15.526 446 HG LEU 72 HG LEU 72 -17.132 -5.506 13.582 447 1HD1 LEU 72 HD11 LEU 72 -19.410 -3.675 13.504 448 2HD1 LEU 72 HD12 LEU 72 -19.479 -5.447 13.925 449 3HD1 LEU 72 HD13 LEU 72 -19.349 -3.671 14.450 450 1HD2 LEU 72 HD21 LEU 72 -16.736 -3.972 11.760 451 2HD2 LEU 72 HD22 LEU 72 -17.570 -2.559 12.560 452 3HD2 LEU 72 HD23 LEU 72 -16.047 -3.554 12.267 453 H GLU 73 HN GLU 73 -14.151 -5.183 16.235 454 HA GLU 73 HA GLU 73 -13.737 -3.742 18.662 455 1HB GLU 73 HB2 GLU 73 -12.370 -5.523 19.318 456 2HB GLU 73 HB1 GLU 73 -13.347 -6.284 18.065 457 1HG GLU 73 HG2 GLU 73 -11.476 -5.658 16.428 458 2HG GLU 73 HG1 GLU 73 -10.502 -5.279 17.849 459 H GLN 74 HN GLN 74 -11.797 -3.927 15.714 460 HA GLN 74 HA GLN 74 -9.646 -2.249 16.855 461 1HB GLN 74 HB2 GLN 74 -10.184 -3.421 14.121 462 2HB GLN 74 HB1 GLN 74 -8.882 -2.255 14.382 463 1HG GLN 74 HG2 GLN 74 -7.986 -3.729 16.172 464 2HG GLN 74 HG1 GLN 74 -9.239 -4.907 15.801 465 1HE2 GLN 74 HE21 GLN 74 -8.506 -3.575 12.903 466 2HE2 GLN 74 HE22 GLN 74 -7.299 -4.638 12.376 467 H VAL 75 HN VAL 75 -12.187 -1.902 14.377 468 HA VAL 75 HA VAL 75 -11.616 0.895 13.875 469 HB VAL 75 HB VAL 75 -14.300 -0.500 13.529 470 1HG1 VAL 75 HG11 VAL 75 -13.207 1.936 12.103 471 2HG1 VAL 75 HG12 VAL 75 -14.919 1.277 11.964 472 3HG1 VAL 75 HG13 VAL 75 -13.638 2.174 12.920 473 1HG2 VAL 75 HG21 VAL 75 -13.242 -1.042 11.158 474 2HG2 VAL 75 HG22 VAL 75 -11.589 -0.706 11.935 475 3HG2 VAL 75 HG23 VAL 75 -13.096 -1.738 11.794 476 H SER 76 HN SER 76 -13.933 -0.806 15.946 477 HA SER 76 HA SER 76 -15.354 1.412 17.000 478 1HB SER 76 HB2 SER 76 -15.887 -0.948 17.586 479 2HB SER 76 HB1 SER 76 -14.403 -1.041 18.530 480 HG SER 76 HG SER 76 -15.219 0.419 19.944 481 H SER 77 HN SER 77 -12.161 0.141 17.815 482 HA SER 77 HA SER 77 -11.688 1.976 20.032 483 1HB SER 77 HB2 SER 77 -9.436 1.197 19.998 484 2HB SER 77 HB1 SER 77 -10.403 -0.200 19.537 485 HG SER 77 HG SER 77 -8.546 0.223 18.190 486 H HIS 78 HN HIS 78 -12.175 2.595 16.866 487 HA HIS 78 HA HIS 78 -11.880 4.632 15.668 488 1HB HIS 78 HB2 HIS 78 -11.513 5.454 18.223 489 2HB HIS 78 HB1 HIS 78 -9.863 5.666 17.635 490 HD1 HIS 78 HD1 HIS 78 -9.453 7.520 15.850 491 HD2 HIS 78 HD2 HIS 78 -13.453 7.128 16.955 492 HE1 HIS 78 HE1 HIS 78 -10.680 9.509 14.858 493 HE2 HIS 78 HE2 HIS 78 -13.109 9.280 15.490 494 H PHE 79 HN PHE 79 -10.472 2.325 15.090 495 HA PHE 79 HA PHE 79 -8.087 3.423 13.742 496 1HB PHE 79 HB2 PHE 79 -7.884 1.423 15.979 497 2HB PHE 79 HB1 PHE 79 -6.623 1.635 14.774 498 HD1 PHE 79 HD1 PHE 79 -8.019 2.791 17.859 499 HD2 PHE 79 HD2 PHE 79 -5.609 4.027 14.502 500 HE1 PHE 79 HE1 PHE 79 -7.182 4.711 19.171 501 HE2 PHE 79 HE2 PHE 79 -4.767 5.945 15.822 502 HZ PHE 79 HZ PHE 79 -5.552 6.293 18.159 503 H GLY 80 HN GLY 80 -7.834 2.358 11.880 504 1HA GLY 80 HA2 GLY 80 -9.181 -0.289 11.501 505 2HA GLY 80 HA1 GLY 80 -9.006 0.909 10.220 506 H GLN 81 HN GLN 81 -7.998 -1.949 10.833 507 HA GLN 81 HA GLN 81 -5.208 -2.106 11.008 508 1HB GLN 81 HB2 GLN 81 -5.393 -4.242 10.093 509 2HB GLN 81 HB1 GLN 81 -7.062 -3.958 10.592 510 1HG GLN 81 HG2 GLN 81 -7.394 -2.972 8.230 511 2HG GLN 81 HG1 GLN 81 -5.880 -3.775 7.825 512 1HE2 GLN 81 HE21 GLN 81 -5.974 -5.973 7.375 513 2HE2 GLN 81 HE22 GLN 81 -7.357 -6.932 7.548 514 H SER 82 HN SER 82 -7.111 -0.714 8.498 515 HA SER 82 HA SER 82 -4.591 -0.263 6.908 516 1HB SER 82 HB2 SER 82 -7.423 -0.581 5.844 517 2HB SER 82 HB1 SER 82 -5.999 -0.215 4.876 518 HG SER 82 HG SER 82 -6.810 -2.581 6.070 519 H ASP 83 HN ASP 83 -6.315 1.168 9.053 520 HA ASP 83 HA ASP 83 -7.627 3.481 8.138 521 1HB ASP 83 HB2 ASP 83 -6.645 4.605 10.200 522 2HB ASP 83 HB1 ASP 83 -7.498 3.093 10.495 523 H ASN 84 HN ASN 84 -6.938 4.678 6.507 524 HA ASN 84 HA ASN 84 -5.560 6.096 5.195 525 1HB ASN 84 HB2 ASN 84 -3.942 6.345 7.731 526 2HB ASN 84 HB1 ASN 84 -3.976 7.472 6.375 527 1HD2 ASN 84 HD21 ASN 84 -4.857 7.577 9.358 528 2HD2 ASN 84 HD22 ASN 84 -6.390 8.288 9.279 529 H ILE 85 HN ILE 85 -5.070 3.765 4.405 530 HA ILE 85 HA ILE 85 -2.112 3.614 4.290 531 HB ILE 85 HB ILE 85 -3.961 1.358 5.040 532 1HG1 ILE 85 HG12 ILE 85 -1.616 2.741 6.369 533 2HG1 ILE 85 HG11 ILE 85 -3.304 2.729 6.904 534 1HG2 ILE 85 HG21 ILE 85 -2.225 0.060 3.832 535 2HG2 ILE 85 HG22 ILE 85 -0.923 1.336 4.121 536 3HG2 ILE 85 HG23 ILE 85 -1.902 -0.084 4.717 537 1HD1 ILE 85 HD11 ILE 85 -1.484 0.347 7.109 538 2HD1 ILE 85 HD12 ILE 85 -2.821 0.854 8.268 539 3HD1 ILE 85 HD13 ILE 85 -2.284 -0.016 6.738 540 H ILE 86 HN ILE 86 -1.564 1.855 2.560 541 HA ILE 86 HA ILE 86 -3.489 2.175 0.288 542 HB ILE 86 HB ILE 86 -0.499 1.861 -0.065 543 1HG1 ILE 86 HG12 ILE 86 -2.081 4.472 0.369 544 2HG1 ILE 86 HG11 ILE 86 -0.869 3.811 1.476 545 1HG2 ILE 86 HG21 ILE 86 -1.212 2.650 -2.325 546 2HG2 ILE 86 HG22 ILE 86 -2.845 1.963 -1.854 547 3HG2 ILE 86 HG23 ILE 86 -1.737 3.411 -2.117 548 1HD1 ILE 86 HD11 ILE 86 -0.064 5.485 -0.595 549 2HD1 ILE 86 HD12 ILE 86 1.060 4.124 -0.096 550 3HD1 ILE 86 HD13 ILE 86 -0.147 4.848 -1.294 551 H VAL 87 HN VAL 87 -4.370 0.269 -0.060 552 HA VAL 87 HA VAL 87 -2.755 -2.190 0.398 553 HB VAL 87 HB VAL 87 -5.731 -1.796 0.000 554 1HG1 VAL 87 HG11 VAL 87 -4.989 -4.452 1.035 555 2HG1 VAL 87 HG12 VAL 87 -5.796 -4.071 -0.578 556 3HG1 VAL 87 HG13 VAL 87 -4.279 -4.379 0.391 557 1HG2 VAL 87 HG21 VAL 87 -4.937 -2.705 2.654 558 2HG2 VAL 87 HG22 VAL 87 -4.389 -0.986 2.286 559 3HG2 VAL 87 HG23 VAL 87 -5.740 -2.195 2.546 560 H GLY 88 HN GLY 88 -3.601 -3.973 -1.233 561 1HA GLY 88 HA2 GLY 88 -4.196 -3.219 -3.949 562 2HA GLY 88 HA1 GLY 88 -2.458 -3.450 -3.746 563 H CYS 89 HN CYS 89 -4.675 -4.984 -5.136 564 HA CYS 89 HA CYS 89 -4.161 -7.626 -3.845 565 1HB CYS 89 HB2 CYS 89 -6.553 -7.089 -3.908 566 2HB CYS 89 HB1 CYS 89 -6.468 -6.830 -5.642 567 HG CYS 89 HG CYS 89 -5.645 -9.662 -4.680 568 H GLN 90 HN GLN 90 -3.469 -9.315 -5.068 569 HA GLN 90 HA GLN 90 -1.501 -8.936 -6.965 570 1HB GLN 90 HB2 GLN 90 -1.959 -11.123 -5.920 571 2HB GLN 90 HB1 GLN 90 -3.414 -11.281 -6.901 572 1HG GLN 90 HG2 GLN 90 -2.083 -11.226 -8.946 573 2HG GLN 90 HG1 GLN 90 -0.605 -11.023 -8.010 574 1HE2 GLN 90 HE21 GLN 90 -2.367 -13.005 -6.127 575 2HE2 GLN 90 HE22 GLN 90 -1.891 -14.516 -6.724 576 H SER 91 HN SER 91 -4.625 -10.178 -8.006 577 HA SER 91 HA SER 91 -4.213 -9.294 -10.745 578 1HB SER 91 HB2 SER 91 -5.578 -11.231 -10.428 579 2HB SER 91 HB1 SER 91 -6.608 -10.404 -9.264 580 HG SER 91 HG SER 91 -7.683 -9.545 -10.853 581 H GLY 92 HN GLY 92 -5.608 -7.793 -11.849 582 1HA GLY 92 HA2 GLY 92 -6.713 -5.640 -10.100 583 2HA GLY 92 HA1 GLY 92 -5.635 -5.222 -11.435 584 H GLY 93 HN GLY 93 -7.958 -4.056 -11.566 585 1HA GLY 93 HA2 GLY 93 -9.826 -3.687 -12.967 586 2HA GLY 93 HA1 GLY 93 -9.128 -4.920 -14.022 587 H ARG 94 HN ARG 94 -9.472 -7.180 -13.383 588 HA ARG 94 HA ARG 94 -12.269 -7.708 -12.858 589 1HB ARG 94 HB2 ARG 94 -10.772 -9.211 -14.197 590 2HB ARG 94 HB1 ARG 94 -9.985 -9.690 -12.681 591 1HG ARG 94 HG2 ARG 94 -12.254 -10.355 -11.797 592 2HG ARG 94 HG1 ARG 94 -12.924 -9.932 -13.361 593 1HD ARG 94 HD2 ARG 94 -11.332 -11.473 -14.396 594 2HD ARG 94 HD1 ARG 94 -11.076 -12.181 -12.754 595 HE ARG 94 HE ARG 94 -13.345 -13.166 -14.112 596 1HH1 ARG 94 HH21 ARG 94 -12.590 -13.196 -11.603 597 2HH1 ARG 94 HH22 ARG 94 -13.262 -11.692 -10.487 598 1HH2 ARG 94 HH11 ARG 94 -14.575 -13.680 -13.439 599 2HH2 ARG 94 HH12 ARG 94 -15.930 -12.334 -12.723 600 H SER 95 HN SER 95 -9.357 -7.819 -10.901 601 HA SER 95 HA SER 95 -10.863 -8.820 -8.558 602 1HB SER 95 HB2 SER 95 -8.691 -9.691 -8.518 603 2HB SER 95 HB1 SER 95 -7.972 -8.204 -9.127 604 HG SER 95 HG SER 95 -9.269 -7.812 -6.780 605 H ILE 96 HN ILE 96 -9.684 -5.838 -9.856 606 HA ILE 96 HA ILE 96 -9.680 -4.254 -7.490 607 HB ILE 96 HB ILE 96 -9.097 -3.831 -10.141 608 1HG1 ILE 96 HG12 ILE 96 -9.806 -1.627 -8.153 609 2HG1 ILE 96 HG11 ILE 96 -8.285 -2.553 -8.127 610 1HG2 ILE 96 HG21 ILE 96 -11.551 -3.336 -10.786 611 2HG2 ILE 96 HG22 ILE 96 -11.542 -1.891 -9.637 612 3HG2 ILE 96 HG23 ILE 96 -10.971 -2.692 -11.177 613 1HD1 ILE 96 HD11 ILE 96 -8.387 -1.584 -10.753 614 2HD1 ILE 96 HD12 ILE 96 -8.891 -0.140 -9.740 615 3HD1 ILE 96 HD13 ILE 96 -7.626 -1.388 -10.203 616 H LYS 97 HN LYS 97 -12.287 -4.873 -9.850 617 HA LYS 97 HA LYS 97 -14.307 -3.373 -8.427 618 1HB LYS 97 HB2 LYS 97 -15.911 -4.540 -9.850 619 2HB LYS 97 HB1 LYS 97 -14.503 -4.121 -10.834 620 1HG LYS 97 HG2 LYS 97 -13.581 -6.415 -10.362 621 2HG LYS 97 HG1 LYS 97 -15.111 -6.815 -9.582 622 1HD LYS 97 HD2 LYS 97 -16.230 -6.102 -11.767 623 2HD LYS 97 HD1 LYS 97 -14.618 -6.144 -12.484 624 1HE LYS 97 HE2 LYS 97 -15.487 -8.294 -12.896 625 2HE LYS 97 HE1 LYS 97 -14.449 -8.496 -11.482 626 1HZ LYS 97 HZ1 LYS 97 -17.049 -7.960 -10.553 627 2HZ LYS 97 HZ2 LYS 97 -17.133 -9.377 -11.626 628 3HZ LYS 97 HZ3 LYS 97 -16.512 -8.610 -10.145 629 H ALA 98 HN ALA 98 -13.146 -6.678 -8.222 630 HA ALA 98 HA ALA 98 -15.206 -7.617 -6.422 631 1HB ALA 98 HB1 ALA 98 -13.190 -9.419 -6.118 632 2HB ALA 98 HB2 ALA 98 -13.720 -9.209 -7.876 633 3HB ALA 98 HB3 ALA 98 -12.500 -8.912 -6.546 634 H THR 99 HN THR 99 -12.006 -6.278 -5.963 635 HA THR 99 HA THR 99 -12.107 -6.416 -3.045 636 HB THR 99 HB THR 99 -10.012 -5.007 -3.336 637 HG1 THR 99 HG1 THR 99 -10.444 -5.504 -6.058 638 1HG2 THR 99 HG21 THR 99 -10.253 -7.752 -4.061 639 2HG2 THR 99 HG22 THR 99 -8.991 -7.009 -5.155 640 3HG2 THR 99 HG23 THR 99 -9.550 -7.508 -3.460 641 H THR 100 HN THR 100 -12.236 -3.839 -5.466 642 HA THR 100 HA THR 100 -12.691 -1.625 -3.779 643 HB THR 100 HB THR 100 -13.754 -2.177 -6.566 644 HG1 THR 100 HG1 THR 100 -11.644 -0.728 -6.658 645 1HG2 THR 100 HG21 THR 100 -13.384 0.527 -6.425 646 2HG2 THR 100 HG22 THR 100 -14.900 -0.115 -5.604 647 3HG2 THR 100 HG23 THR 100 -13.205 0.593 -5.486 648 H ASP 101 HN ASP 101 -15.070 -3.757 -5.340 649 HA ASP 101 HA ASP 101 -17.451 -2.601 -4.163 650 1HB ASP 101 HB2 ASP 101 -16.838 -5.446 -5.051 651 2HB ASP 101 HB1 ASP 101 -18.439 -4.856 -4.617 652 H LEU 102 HN LEU 102 -15.373 -5.315 -3.219 653 HA LEU 102 HA LEU 102 -16.784 -5.929 -0.803 654 1HB LEU 102 HB2 LEU 102 -15.142 -7.463 -1.985 655 2HB LEU 102 HB1 LEU 102 -13.849 -6.431 -1.394 656 HG LEU 102 HG LEU 102 -14.247 -8.496 -0.004 657 1HD1 LEU 102 HD11 LEU 102 -13.610 -6.030 1.081 658 2HD1 LEU 102 HD12 LEU 102 -15.087 -6.429 2.089 659 3HD1 LEU 102 HD13 LEU 102 -13.345 -6.803 1.568 660 1HD2 LEU 102 HD21 LEU 102 -16.577 -8.856 0.635 661 2HD2 LEU 102 HD22 LEU 102 -16.789 -7.123 1.211 662 3HD2 LEU 102 HD23 LEU 102 -16.863 -8.366 -0.135 663 H LEU 103 HN LEU 103 -14.071 -3.817 -1.511 664 HA LEU 103 HA LEU 103 -13.735 -2.983 1.271 665 1HB LEU 103 HB2 LEU 103 -11.761 -2.734 0.039 666 2HB LEU 103 HB1 LEU 103 -12.609 -2.187 -1.404 667 HG LEU 103 HG LEU 103 -12.762 -0.442 1.009 668 1HD1 LEU 103 HD11 LEU 103 -10.107 -1.116 -0.054 669 2HD1 LEU 103 HD12 LEU 103 -10.446 0.697 -0.060 670 3HD1 LEU 103 HD13 LEU 103 -10.243 -0.869 0.858 671 1HD2 LEU 103 HD21 LEU 103 -13.405 0.983 -0.890 672 2HD2 LEU 103 HD22 LEU 103 -11.939 0.491 -1.899 673 3HD2 LEU 103 HD23 LEU 103 -13.695 0.233 -1.399 674 H HIS 104 HN HIS 104 -15.589 -1.924 -1.500 675 HA HIS 104 HA HIS 104 -16.301 0.715 -0.717 676 1HB HIS 104 HB2 HIS 104 -16.930 -0.361 -2.889 677 2HB HIS 104 HB1 HIS 104 -18.090 -1.379 -2.034 678 HD1 HIS 104 HD1 HIS 104 -17.347 2.384 -2.244 679 HD2 HIS 104 HD2 HIS 104 -20.582 -0.238 -2.079 680 HE1 HIS 104 HE1 HIS 104 -19.440 3.806 -2.405 681 HE2 HIS 104 HE2 HIS 104 -21.414 2.241 -2.334 682 H ALA 105 HN ALA 105 -17.451 -2.403 0.402 683 HA ALA 105 HA ALA 105 -18.868 -0.982 2.608 684 1HB ALA 105 HB1 ALA 105 -20.199 -3.489 1.595 685 2HB ALA 105 HB2 ALA 105 -20.987 -1.854 1.952 686 3HB ALA 105 HB3 ALA 105 -20.113 -2.971 0.805 687 H GLY 106 HN GLY 106 -16.238 -2.071 2.515 688 1HA GLY 106 HA2 GLY 106 -16.448 -3.975 4.760 689 2HA GLY 106 HA1 GLY 106 -15.533 -4.532 3.355 690 H PHE 107 HN PHE 107 -14.446 -1.981 2.697 691 HA PHE 107 HA PHE 107 -12.721 -1.378 5.075 692 1HB PHE 107 HB2 PHE 107 -11.856 -2.096 2.282 693 2HB PHE 107 HB1 PHE 107 -10.808 -1.213 3.389 694 HD1 PHE 107 HD1 PHE 107 -9.918 -2.318 5.448 695 HD2 PHE 107 HD2 PHE 107 -12.424 -4.431 2.639 696 HE1 PHE 107 HE1 PHE 107 -9.324 -4.468 6.525 697 HE2 PHE 107 HE2 PHE 107 -11.819 -6.573 3.713 698 HZ PHE 107 HZ PHE 107 -10.269 -6.601 5.659 699 H THR 108 HN THR 108 -11.552 0.714 4.761 700 HA THR 108 HA THR 108 -12.220 2.548 2.660 701 HB THR 108 HB THR 108 -14.467 2.444 3.692 702 HG1 THR 108 HG1 THR 108 -12.871 4.696 3.803 703 1HG2 THR 108 HG21 THR 108 -13.194 2.593 6.256 704 2HG2 THR 108 HG22 THR 108 -14.376 3.987 6.101 705 3HG2 THR 108 HG23 THR 108 -14.054 2.170 6.193 706 H GLY 109 HN GLY 109 -11.208 4.550 2.961 707 1HA GLY 109 HA2 GLY 109 -9.882 6.207 4.084 708 2HA GLY 109 HA1 GLY 109 -9.781 5.144 5.495 709 H VAL 110 HN VAL 110 -9.220 3.806 2.379 710 HA VAL 110 HA VAL 110 -6.274 4.060 2.631 711 HB VAL 110 HB VAL 110 -5.889 1.953 3.292 712 1HG1 VAL 110 HG11 VAL 110 -7.975 2.301 4.831 713 2HG1 VAL 110 HG12 VAL 110 -9.002 1.441 3.576 714 3HG1 VAL 110 HG13 VAL 110 -7.678 1.393 4.850 715 1HG2 VAL 110 HG21 VAL 110 -6.786 0.132 1.821 716 2HG2 VAL 110 HG22 VAL 110 -8.278 1.101 1.347 717 3HG2 VAL 110 HG23 VAL 110 -6.471 0.771 1.194 718 H LYS 111 HN LYS 111 -5.185 3.435 0.689 719 HA LYS 111 HA LYS 111 -6.964 3.643 -1.694 720 1HB LYS 111 HB2 LYS 111 -3.945 3.973 -1.511 721 2HB LYS 111 HB1 LYS 111 -4.953 4.354 -2.910 722 1HG LYS 111 HG2 LYS 111 -6.219 5.982 -1.450 723 2HG LYS 111 HG1 LYS 111 -4.999 5.722 -0.200 724 1HD LYS 111 HD2 LYS 111 -3.244 6.393 -1.882 725 2HD LYS 111 HD1 LYS 111 -4.544 6.819 -2.992 726 1HE LYS 111 HE2 LYS 111 -3.979 8.864 -1.938 727 2HE LYS 111 HE1 LYS 111 -5.460 8.333 -1.122 728 1HZ LYS 111 HZ1 LYS 111 -2.870 8.478 0.159 729 2HZ LYS 111 HZ2 LYS 111 -4.445 8.171 0.937 730 3HZ LYS 111 HZ3 LYS 111 -2.965 7.544 0.179 731 H ASP 112 HN ASP 112 -6.488 2.292 -3.519 732 HA ASP 112 HA ASP 112 -5.503 -0.429 -2.706 733 1HB ASP 112 HB2 ASP 112 -7.620 0.318 -4.741 734 2HB ASP 112 HB1 ASP 112 -7.001 -1.312 -4.504 735 H ILE 113 HN ILE 113 -3.767 -1.080 -3.747 736 HA ILE 113 HA ILE 113 -2.924 0.388 -6.198 737 HB ILE 113 HB ILE 113 -1.330 -1.453 -4.377 738 1HG1 ILE 113 HG12 ILE 113 -1.848 1.530 -4.440 739 2HG1 ILE 113 HG11 ILE 113 -1.811 0.433 -3.060 740 1HG2 ILE 113 HG21 ILE 113 -0.040 -1.195 -6.443 741 2HG2 ILE 113 HG22 ILE 113 -0.704 0.448 -6.859 742 3HG2 ILE 113 HG23 ILE 113 0.532 -0.601 -5.958 743 1HD1 ILE 113 HD11 ILE 113 0.843 0.413 -3.970 744 2HD1 ILE 113 HD12 ILE 113 0.388 2.189 -3.977 745 3HD1 ILE 113 HD13 ILE 113 0.660 0.616 -3.057 746 H VAL 114 HN VAL 114 -2.211 -0.794 -8.022 747 HA VAL 114 HA VAL 114 -3.475 -3.483 -8.256 748 HB VAL 114 HB VAL 114 -2.452 -1.469 -10.292 749 1HG1 VAL 114 HG11 VAL 114 -3.608 -4.118 -11.218 750 2HG1 VAL 114 HG12 VAL 114 -2.241 -3.146 -11.977 751 3HG1 VAL 114 HG13 VAL 114 -2.827 -4.371 -10.731 752 1HG2 VAL 114 HG21 VAL 114 -5.035 -1.655 -9.279 753 2HG2 VAL 114 HG22 VAL 114 -4.816 -1.221 -11.035 754 3HG2 VAL 114 HG23 VAL 114 -5.287 -2.457 -9.733 755 H GLY 115 HN GLY 115 -2.339 -5.253 -8.544 756 1HA GLY 115 HA2 GLY 115 -0.440 -6.598 -9.178 757 2HA GLY 115 HA1 GLY 115 0.552 -5.139 -9.186 758 H GLY 116 HN GLY 116 2.110 -5.901 -7.811 759 1HA GLY 116 HA2 GLY 116 2.045 -5.453 -5.091 760 2HA GLY 116 HA1 GLY 116 1.474 -7.118 -5.235 761 H TYR 117 HN TYR 117 2.877 -8.673 -5.807 762 HA TYR 117 HA TYR 117 5.597 -8.583 -5.099 763 1HB TYR 117 HB2 TYR 117 4.168 -10.610 -5.388 764 2HB TYR 117 HB1 TYR 117 4.275 -10.384 -7.128 765 HD1 TYR 117 HD1 TYR 117 6.280 -10.937 -8.366 766 HD2 TYR 117 HD2 TYR 117 6.204 -11.275 -4.069 767 HE1 TYR 117 HE1 TYR 117 8.425 -12.145 -8.420 768 HE2 TYR 117 HE2 TYR 117 8.350 -12.494 -4.131 769 HH TYR 117 HH TYR 117 9.812 -13.501 -7.182 770 H SER 118 HN SER 118 4.060 -8.123 -8.226 771 HA SER 118 HA SER 118 6.384 -8.036 -9.861 772 1HB SER 118 HB2 SER 118 4.044 -8.047 -10.731 773 2HB SER 118 HB1 SER 118 3.863 -6.380 -10.189 774 HG SER 118 HG SER 118 4.648 -7.021 -12.482 775 H ALA 119 HN ALA 119 4.961 -5.650 -7.774 776 HA ALA 119 HA ALA 119 6.583 -3.455 -8.702 777 1HB ALA 119 HB1 ALA 119 5.490 -2.341 -6.685 778 2HB ALA 119 HB2 ALA 119 4.294 -3.733 -6.938 779 3HB ALA 119 HB3 ALA 119 5.694 -2.997 -6.030 780 H TRP 120 HN TRP 120 6.788 -5.553 -5.851 781 HA TRP 120 HA TRP 120 9.340 -4.580 -4.935 782 1HB TRP 120 HB2 TRP 120 7.525 -6.823 -4.330 783 2HB TRP 120 HB1 TRP 120 9.215 -7.287 -4.183 784 HD1 TRP 120 HD1 TRP 120 9.738 -7.174 -1.630 785 HE1 TRP 120 HE1 TRP 120 9.316 -5.423 0.208 786 HE3 TRP 120 HE3 TRP 120 6.993 -3.746 -4.204 787 HZ2 TRP 120 HZ2 TRP 120 7.999 -2.906 0.571 788 HZ3 TRP 120 HZ3 TRP 120 6.156 -1.690 -3.127 789 HH2 TRP 120 HH2 TRP 120 6.664 -1.273 -0.721 790 H ALA 121 HN ALA 121 8.351 -7.054 -7.214 791 HA ALA 121 HA ALA 121 11.025 -8.032 -7.727 792 1HB ALA 121 HB1 ALA 121 8.747 -8.379 -9.715 793 2HB ALA 121 HB2 ALA 121 9.938 -9.662 -9.107 794 3HB ALA 121 HB3 ALA 121 8.427 -8.669 -8.871 795 H LYS 122 HN LYS 122 9.100 -5.391 -8.861 796 HA LYS 122 HA LYS 122 10.420 -4.764 -11.304 797 1HB LYS 122 HB2 LYS 122 8.339 -3.637 -10.273 798 2HB LYS 122 HB1 LYS 122 9.464 -2.678 -9.303 799 1HG LYS 122 HG2 LYS 122 10.625 -2.100 -11.527 800 2HG LYS 122 HG1 LYS 122 9.177 -2.748 -12.302 801 1HD LYS 122 HD2 LYS 122 9.247 -0.484 -10.293 802 2HD LYS 122 HD1 LYS 122 8.953 -0.321 -12.026 803 1HE LYS 122 HE2 LYS 122 7.194 -1.558 -9.885 804 2HE LYS 122 HE1 LYS 122 6.790 -0.311 -11.074 805 1HZ LYS 122 HZ1 LYS 122 7.250 -3.111 -11.906 806 2HZ LYS 122 HZ2 LYS 122 5.692 -2.258 -12.003 807 3HZ LYS 122 HZ3 LYS 122 7.343 -2.515 -12.625 808 H ASN 123 HN ASN 123 11.198 -3.940 -7.934 809 HA ASN 123 HA ASN 123 13.749 -2.612 -8.720 810 1HB ASN 123 HB2 ASN 123 12.356 -1.884 -6.731 811 2HB ASN 123 HB1 ASN 123 12.796 -3.401 -5.956 812 1HD2 ASN 123 HD21 ASN 123 14.229 -0.485 -7.406 813 2HD2 ASN 123 HD22 ASN 123 15.611 -0.478 -6.431 814 H GLY 124 HN GLY 124 12.950 -5.236 -6.474 815 1HA GLY 124 HA2 GLY 124 14.068 -7.494 -7.218 816 2HA GLY 124 HA1 GLY 124 15.552 -6.536 -7.142 817 H LEU 125 HN LEU 125 12.766 -6.331 -4.985 818 HA LEU 125 HA LEU 125 14.618 -6.928 -2.715 819 1HB LEU 125 HB2 LEU 125 11.867 -5.629 -2.680 820 2HB LEU 125 HB1 LEU 125 12.931 -5.834 -1.284 821 HG LEU 125 HG LEU 125 14.243 -4.569 -3.592 822 1HD1 LEU 125 HD11 LEU 125 11.951 -3.314 -3.685 823 2HD1 LEU 125 HD12 LEU 125 12.200 -2.770 -1.944 824 3HD1 LEU 125 HD13 LEU 125 12.667 -2.691 -3.730 825 1HD2 LEU 125 HD21 LEU 125 14.187 -3.928 -0.638 826 2HD2 LEU 125 HD22 LEU 125 15.646 -4.337 -1.664 827 3HD2 LEU 125 HD23 LEU 125 14.400 -3.109 -1.085 828 HA PRO 126 HA PRO 126 13.016 -11.043 -2.418 829 1HB PRO 126 HB2 PRO 126 13.328 -10.500 0.518 830 2HB PRO 126 HB1 PRO 126 13.921 -11.854 -0.459 831 1HG PRO 126 HG2 PRO 126 15.482 -9.814 0.401 832 2HG PRO 126 HG1 PRO 126 15.807 -10.779 -1.047 833 1HD PRO 126 HD2 PRO 126 15.022 -7.969 -0.866 834 2HD PRO 126 HD1 PRO 126 15.618 -8.874 -2.273 835 H THR 127 HN THR 127 11.603 -11.844 -0.081 836 HA THR 127 HA THR 127 9.377 -10.181 0.591 837 HB THR 127 HB THR 127 7.935 -11.851 -1.099 838 HG1 THR 127 HG1 THR 127 9.672 -12.478 -2.276 839 1HG2 THR 127 HG21 THR 127 8.485 -8.942 -1.030 840 2HG2 THR 127 HG22 THR 127 7.781 -9.607 -2.611 841 3HG2 THR 127 HG23 THR 127 7.648 -9.321 -0.823 842 H LYS 128 HN LYS 128 9.141 -11.129 2.505 843 HA LYS 128 HA LYS 128 8.570 -14.045 2.597 844 1HB LYS 128 HB2 LYS 128 10.338 -12.693 4.662 845 2HB LYS 128 HB1 LYS 128 10.054 -14.412 4.428 846 1HG LYS 128 HG2 LYS 128 12.087 -14.273 3.390 847 2HG LYS 128 HG1 LYS 128 11.080 -13.840 2.008 848 1HD LYS 128 HD2 LYS 128 12.637 -12.122 1.997 849 2HD LYS 128 HD1 LYS 128 11.360 -11.407 2.988 850 1HE LYS 128 HE2 LYS 128 13.354 -11.023 4.218 851 2HE LYS 128 HE1 LYS 128 12.603 -12.428 4.992 852 1HZ LYS 128 HZ1 LYS 128 15.059 -12.829 4.245 853 2HZ LYS 128 HZ2 LYS 128 13.987 -13.998 3.438 854 3HZ LYS 128 HZ3 LYS 128 15.019 -12.550 3.351 855 H ALA 129 HN ALA 129 7.609 -14.591 4.752 856 HA ALA 129 HA ALA 129 5.740 -14.285 6.166 857 1HB ALA 129 HB1 ALA 129 6.367 -11.747 7.265 858 2HB ALA 129 HB2 ALA 129 7.298 -13.254 7.775 859 3HB ALA 129 HB3 ALA 129 7.200 -11.702 6.805 Start of MODEL 5 1 H ALA 11 HN ALA 11 -4.662 16.588 2.761 2 HA ALA 11 HA ALA 11 -6.519 16.471 0.663 3 1HB ALA 11 HB1 ALA 11 -5.803 14.189 1.092 4 2HB ALA 11 HB2 ALA 11 -5.549 14.463 2.886 5 3HB ALA 11 HB3 ALA 11 -6.646 14.006 1.482 6 H GLU 12 HN GLU 12 -7.527 14.984 3.605 7 HA GLU 12 HA GLU 12 -9.540 15.097 4.818 8 1HB GLU 12 HB2 GLU 12 -9.641 17.962 3.854 9 2HB GLU 12 HB1 GLU 12 -10.413 17.280 5.282 10 1HG GLU 12 HG2 GLU 12 -8.129 16.759 6.191 11 2HG GLU 12 HG1 GLU 12 -7.437 17.629 4.819 12 H GLU 13 HN GLU 13 -9.444 14.517 1.901 13 HA GLU 13 HA GLU 13 -12.026 15.506 0.880 14 1HB GLU 13 HB2 GLU 13 -11.445 13.740 -0.963 15 2HB GLU 13 HB1 GLU 13 -10.474 15.210 -0.857 16 1HG GLU 13 HG2 GLU 13 -9.050 13.195 -1.082 17 2HG GLU 13 HG1 GLU 13 -8.778 14.020 0.453 18 H SER 14 HN SER 14 -11.816 13.827 3.310 19 HA SER 14 HA SER 14 -13.371 12.320 4.314 20 1HB SER 14 HB2 SER 14 -14.748 12.912 2.088 21 2HB SER 14 HB1 SER 14 -14.286 11.259 1.679 22 HG SER 14 HG SER 14 -15.452 10.516 3.305 23 H ARG 15 HN ARG 15 -13.642 9.840 4.221 24 HA ARG 15 HA ARG 15 -11.031 8.641 3.336 25 1HB ARG 15 HB2 ARG 15 -12.497 8.490 5.851 26 2HB ARG 15 HB1 ARG 15 -12.099 6.898 5.199 27 1HG ARG 15 HG2 ARG 15 -10.214 7.646 6.510 28 2HG ARG 15 HG1 ARG 15 -9.743 7.872 4.826 29 1HD ARG 15 HD2 ARG 15 -10.525 10.169 4.999 30 2HD ARG 15 HD1 ARG 15 -10.621 9.945 6.796 31 HE ARG 15 HE ARG 15 -8.021 9.132 6.672 32 1HH1 ARG 15 HH21 ARG 15 -8.332 10.059 4.238 33 2HH1 ARG 15 HH22 ARG 15 -8.803 11.990 4.116 34 1HH2 ARG 15 HH11 ARG 15 -6.725 9.852 6.462 35 2HH2 ARG 15 HH12 ARG 15 -6.637 11.841 6.905 36 H VAL 16 HN VAL 16 -11.467 7.766 1.434 37 HA VAL 16 HA VAL 16 -13.643 5.722 1.341 38 HB VAL 16 HB VAL 16 -14.399 6.456 -0.731 39 1HG1 VAL 16 HG11 VAL 16 -13.614 9.007 0.751 40 2HG1 VAL 16 HG12 VAL 16 -14.889 8.931 -0.572 41 3HG1 VAL 16 HG13 VAL 16 -14.342 8.527 1.141 42 1HG2 VAL 16 HG21 VAL 16 -11.761 7.862 -1.216 43 2HG2 VAL 16 HG22 VAL 16 -12.469 6.484 -2.197 44 3HG2 VAL 16 HG23 VAL 16 -12.441 8.271 -1.748 45 HA PRO 17 HA PRO 17 -10.467 3.268 -0.454 46 1HB PRO 17 HB2 PRO 17 -11.963 1.590 -2.113 47 2HB PRO 17 HB1 PRO 17 -11.867 1.472 -0.347 48 1HG PRO 17 HG2 PRO 17 -14.111 2.188 -1.960 49 2HG PRO 17 HG1 PRO 17 -14.020 1.973 -0.204 50 1HD PRO 17 HD2 PRO 17 -13.990 4.472 -1.772 51 2HD PRO 17 HD1 PRO 17 -14.359 4.225 -0.051 52 H SER 18 HN SER 18 -9.598 5.110 -1.640 53 HA SER 18 HA SER 18 -10.257 5.548 -4.450 54 1HB SER 18 HB2 SER 18 -9.296 7.341 -3.013 55 2HB SER 18 HB1 SER 18 -7.797 6.422 -2.908 56 HG SER 18 HG SER 18 -8.283 6.513 -5.422 57 H SER 19 HN SER 19 -9.142 4.862 -6.214 58 HA SER 19 HA SER 19 -7.340 2.511 -5.804 59 1HB SER 19 HB2 SER 19 -7.900 1.893 -8.060 60 2HB SER 19 HB1 SER 19 -9.404 2.312 -7.249 61 HG SER 19 HG SER 19 -7.864 3.938 -8.986 62 H VAL 20 HN VAL 20 -5.407 2.375 -6.913 63 HA VAL 20 HA VAL 20 -4.391 4.748 -8.328 64 HB VAL 20 HB VAL 20 -3.644 5.570 -6.347 65 1HG1 VAL 20 HG11 VAL 20 -3.134 3.612 -4.401 66 2HG1 VAL 20 HG12 VAL 20 -4.904 3.879 -4.885 67 3HG1 VAL 20 HG13 VAL 20 -3.380 2.886 -4.982 68 1HG2 VAL 20 HG21 VAL 20 -1.444 3.512 -6.618 69 2HG2 VAL 20 HG22 VAL 20 -1.506 5.073 -7.567 70 3HG2 VAL 20 HG23 VAL 20 -1.245 4.185 -5.968 71 H SER 21 HN SER 21 -2.003 4.246 -8.976 72 HA SER 21 HA SER 21 -1.914 1.376 -9.861 73 1HB SER 21 HB2 SER 21 -1.095 3.950 -11.132 74 2HB SER 21 HB1 SER 21 -0.123 2.524 -11.482 75 HG SER 21 HG SER 21 -2.501 3.209 -12.456 76 H VAL 22 HN VAL 22 0.295 0.533 -10.117 77 HA VAL 22 HA VAL 22 1.688 0.640 -7.628 78 HB VAL 22 HB VAL 22 2.341 -0.469 -10.405 79 1HG1 VAL 22 HG11 VAL 22 4.179 -1.413 -8.297 80 2HG1 VAL 22 HG12 VAL 22 4.649 -0.410 -9.769 81 3HG1 VAL 22 HG13 VAL 22 4.208 -0.510 -8.002 82 1HG2 VAL 22 HG21 VAL 22 1.924 -2.283 -8.059 83 2HG2 VAL 22 HG22 VAL 22 0.433 -1.495 -8.777 84 3HG2 VAL 22 HG23 VAL 22 1.882 -2.604 -8.955 85 H THR 23 HN THR 23 2.001 2.401 -10.604 86 HA THR 23 HA THR 23 4.645 3.395 -10.361 87 HB THR 23 HB THR 23 3.271 3.816 -12.391 88 HG1 THR 23 HG1 THR 23 4.940 5.279 -11.500 89 1HG2 THR 23 HG21 THR 23 1.078 4.618 -10.808 90 2HG2 THR 23 HG22 THR 23 1.702 6.211 -11.567 91 3HG2 THR 23 HG23 THR 23 1.063 4.531 -11.761 92 H VAL 24 HN VAL 24 1.587 4.739 -9.063 93 HA VAL 24 HA VAL 24 2.945 6.941 -7.717 94 HB VAL 24 HB VAL 24 0.327 5.841 -6.679 95 1HG1 VAL 24 HG11 VAL 24 1.211 8.148 -5.888 96 2HG1 VAL 24 HG12 VAL 24 0.990 8.802 -7.601 97 3HG1 VAL 24 HG13 VAL 24 0.273 8.201 -6.028 98 1HG2 VAL 24 HG21 VAL 24 -0.056 5.870 -9.231 99 2HG2 VAL 24 HG22 VAL 24 -0.757 7.477 -8.681 100 3HG2 VAL 24 HG23 VAL 24 0.556 6.528 -9.567 101 H ALA 25 HN ALA 25 1.892 3.722 -6.748 102 HA ALA 25 HA ALA 25 2.360 3.849 -3.960 103 1HB ALA 25 HB1 ALA 25 2.697 1.523 -5.838 104 2HB ALA 25 HB2 ALA 25 2.833 1.325 -4.035 105 3HB ALA 25 HB3 ALA 25 1.796 1.625 -5.540 106 H HIS 26 HN HIS 26 4.623 3.545 -6.653 107 HA HIS 26 HA HIS 26 6.992 2.987 -5.139 108 1HB HIS 26 HB2 HIS 26 6.787 2.848 -7.653 109 2HB HIS 26 HB1 HIS 26 6.758 4.605 -7.707 110 HD1 HIS 26 HD1 HIS 26 9.059 1.880 -6.297 111 HD2 HIS 26 HD2 HIS 26 9.261 5.633 -8.098 112 HE1 HIS 26 HE1 HIS 26 11.521 2.392 -6.637 113 HE2 HIS 26 HE2 HIS 26 11.671 4.649 -7.750 114 H ASP 27 HN ASP 27 5.571 6.073 -6.222 115 HA ASP 27 HA ASP 27 7.471 7.829 -4.944 116 1HB ASP 27 HB2 ASP 27 5.644 8.547 -6.568 117 2HB ASP 27 HB1 ASP 27 4.496 8.334 -5.252 118 H LEU 28 HN LEU 28 4.577 6.203 -3.812 119 HA LEU 28 HA LEU 28 4.651 7.493 -1.183 120 1HB LEU 28 HB2 LEU 28 3.055 5.085 -2.129 121 2HB LEU 28 HB1 LEU 28 2.734 6.048 -0.688 122 HG LEU 28 HG LEU 28 2.727 7.156 -3.542 123 1HD1 LEU 28 HD11 LEU 28 0.741 5.466 -2.811 124 2HD1 LEU 28 HD12 LEU 28 0.037 6.947 -1.982 125 3HD1 LEU 28 HD13 LEU 28 0.498 6.038 -3.523 126 1HD2 LEU 28 HD21 LEU 28 1.963 9.156 -2.297 127 2HD2 LEU 28 HD22 LEU 28 1.451 8.231 -0.798 128 3HD2 LEU 28 HD23 LEU 28 2.764 9.044 -1.796 129 H LEU 29 HN LEU 29 5.943 4.669 -2.692 130 HA LEU 29 HA LEU 29 6.467 3.022 -0.380 131 1HB LEU 29 HB2 LEU 29 6.658 2.356 -2.853 132 2HB LEU 29 HB1 LEU 29 8.148 3.280 -2.930 133 HG LEU 29 HG LEU 29 7.764 1.131 -0.864 134 1HD1 LEU 29 HD11 LEU 29 8.644 0.426 -3.684 135 2HD1 LEU 29 HD12 LEU 29 8.338 -0.739 -2.281 136 3HD1 LEU 29 HD13 LEU 29 7.699 0.385 -3.560 137 1HD2 LEU 29 HD21 LEU 29 10.268 2.347 -2.038 138 2HD2 LEU 29 HD22 LEU 29 9.912 1.993 -0.262 139 3HD2 LEU 29 HD23 LEU 29 10.477 1.421 -1.912 140 H LEU 30 HN LEU 30 8.332 5.598 -2.006 141 HA LEU 30 HA LEU 30 10.538 5.477 -0.042 142 1HB LEU 30 HB2 LEU 30 11.376 7.481 -1.271 143 2HB LEU 30 HB1 LEU 30 11.020 6.166 -2.387 144 HG LEU 30 HG LEU 30 8.763 7.249 -2.724 145 1HD1 LEU 30 HD11 LEU 30 8.300 9.254 -1.421 146 2HD1 LEU 30 HD12 LEU 30 10.022 9.270 -0.780 147 3HD1 LEU 30 HD13 LEU 30 8.799 9.795 -2.036 148 1HD2 LEU 30 HD21 LEU 30 9.796 8.577 -4.535 149 2HD2 LEU 30 HD22 LEU 30 11.259 9.025 -3.523 150 3HD2 LEU 30 HD23 LEU 30 10.367 7.809 -4.575 151 H ALA 31 HN ALA 31 7.438 6.865 -0.258 152 HA ALA 31 HA ALA 31 7.858 9.251 1.313 153 1HB ALA 31 HB1 ALA 31 5.132 8.509 1.614 154 2HB ALA 31 HB2 ALA 31 5.716 9.195 -0.005 155 3HB ALA 31 HB3 ALA 31 5.252 7.770 1.030 156 H GLY 32 HN GLY 32 7.465 5.899 2.036 157 1HA GLY 32 HA2 GLY 32 8.019 4.781 4.058 158 2HA GLY 32 HA1 GLY 32 8.254 6.353 4.826 159 H HIS 33 HN HIS 33 5.452 4.960 3.169 160 HA HIS 33 HA HIS 33 3.876 5.462 5.675 161 1HB HIS 33 HB2 HIS 33 3.080 5.631 2.759 162 2HB HIS 33 HB1 HIS 33 1.903 5.613 4.072 163 HD1 HIS 33 HD1 HIS 33 3.711 7.415 6.043 164 HD2 HIS 33 HD2 HIS 33 2.710 8.318 2.101 165 HE1 HIS 33 HE1 HIS 33 3.945 9.931 5.790 166 HE2 HIS 33 HE2 HIS 33 3.368 10.498 3.401 167 H ARG 34 HN ARG 34 2.049 3.989 5.955 168 HA ARG 34 HA ARG 34 2.839 1.245 5.946 169 1HB ARG 34 HB2 ARG 34 0.100 2.510 6.283 170 2HB ARG 34 HB1 ARG 34 0.421 0.794 6.509 171 1HG ARG 34 HG2 ARG 34 2.079 2.826 8.034 172 2HG ARG 34 HG1 ARG 34 0.477 2.368 8.604 173 1HD ARG 34 HD2 ARG 34 2.635 0.318 8.075 174 2HD ARG 34 HD1 ARG 34 2.536 1.128 9.588 175 HE ARG 34 HE ARG 34 -0.140 -0.370 8.974 176 1HH1 ARG 34 HH21 ARG 34 1.813 -1.635 7.657 177 2HH1 ARG 34 HH22 ARG 34 3.300 -2.284 8.814 178 1HH2 ARG 34 HH11 ARG 34 -0.443 -1.850 9.293 179 2HH2 ARG 34 HH12 ARG 34 0.502 -2.708 10.885 180 H TYR 35 HN TYR 35 2.665 -0.293 4.504 181 HA TYR 35 HA TYR 35 1.188 0.240 1.948 182 1HB TYR 35 HB2 TYR 35 3.555 -1.582 2.279 183 2HB TYR 35 HB1 TYR 35 2.896 -0.922 0.786 184 HD1 TYR 35 HD1 TYR 35 5.541 -0.630 3.061 185 HD2 TYR 35 HD2 TYR 35 2.783 1.845 0.855 186 HE1 TYR 35 HE1 TYR 35 7.123 1.256 3.200 187 HE2 TYR 35 HE2 TYR 35 4.371 3.729 1.006 188 HH TYR 35 HH TYR 35 7.590 3.332 2.496 189 H LEU 36 HN LEU 36 -0.661 -0.973 2.130 190 HA LEU 36 HA LEU 36 -0.506 -3.720 3.316 191 1HB LEU 36 HB2 LEU 36 -2.187 -1.843 4.024 192 2HB LEU 36 HB1 LEU 36 -3.037 -2.236 2.537 193 HG LEU 36 HG LEU 36 -4.174 -3.619 4.021 194 1HD1 LEU 36 HD11 LEU 36 -2.781 -5.921 3.714 195 2HD1 LEU 36 HD12 LEU 36 -3.221 -5.110 2.143 196 3HD1 LEU 36 HD13 LEU 36 -1.945 -5.621 3.383 197 1HD2 LEU 36 HD21 LEU 36 -3.045 -4.415 6.109 198 2HD2 LEU 36 HD22 LEU 36 -1.368 -4.104 5.485 199 3HD2 LEU 36 HD23 LEU 36 -2.947 -3.471 6.208 200 H ASP 37 HN ASP 37 -0.730 -5.429 2.031 201 HA ASP 37 HA ASP 37 -1.858 -5.212 -0.726 202 1HB ASP 37 HB2 ASP 37 0.611 -4.795 -0.916 203 2HB ASP 37 HB1 ASP 37 0.898 -6.344 -0.133 204 H VAL 38 HN VAL 38 -3.367 -6.761 -0.564 205 HA VAL 38 HA VAL 38 -2.894 -9.201 1.041 206 HB VAL 38 HB VAL 38 -5.173 -8.592 1.225 207 1HG1 VAL 38 HG11 VAL 38 -5.552 -7.944 -1.726 208 2HG1 VAL 38 HG12 VAL 38 -6.133 -7.010 -0.254 209 3HG1 VAL 38 HG13 VAL 38 -4.818 -7.387 -1.466 210 1HG2 VAL 38 HG21 VAL 38 -5.265 -10.538 -1.154 211 2HG2 VAL 38 HG22 VAL 38 -5.308 -11.025 0.615 212 3HG2 VAL 38 HG23 VAL 38 -6.119 -10.267 -0.855 213 H ARG 39 HN ARG 39 -1.475 -10.477 0.139 214 HA ARG 39 HA ARG 39 -1.261 -10.866 -2.788 215 1HB ARG 39 HB2 ARG 39 0.757 -10.841 -1.235 216 2HB ARG 39 HB1 ARG 39 0.173 -12.371 -0.572 217 1HG ARG 39 HG2 ARG 39 0.279 -13.405 -2.808 218 2HG ARG 39 HG1 ARG 39 0.774 -11.874 -3.513 219 1HD ARG 39 HD2 ARG 39 2.711 -13.195 -3.373 220 2HD ARG 39 HD1 ARG 39 2.833 -11.968 -2.080 221 HE ARG 39 HE ARG 39 2.137 -14.208 -0.492 222 1HH1 ARG 39 HH21 ARG 39 4.501 -13.013 -0.925 223 2HH1 ARG 39 HH22 ARG 39 5.559 -13.774 -2.428 224 1HH2 ARG 39 HH11 ARG 39 3.126 -15.190 0.118 225 2HH2 ARG 39 HH12 ARG 39 3.972 -16.606 -1.084 226 H THR 40 HN THR 40 -2.154 -12.731 0.094 227 HA THR 40 HA THR 40 -4.182 -14.244 -1.283 228 HB THR 40 HB THR 40 -2.353 -16.341 -0.814 229 HG1 THR 40 HG1 THR 40 -0.525 -15.400 -1.074 230 1HG2 THR 40 HG21 THR 40 -4.014 -15.842 -2.899 231 2HG2 THR 40 HG22 THR 40 -2.451 -15.302 -3.704 232 3HG2 THR 40 HG23 THR 40 -3.486 -16.638 -2.966 233 HA PRO 41 HA PRO 41 -5.379 -15.467 2.749 234 1HB PRO 41 HB2 PRO 41 -5.210 -18.371 2.075 235 2HB PRO 41 HB1 PRO 41 -6.604 -17.400 2.581 236 1HG PRO 41 HG2 PRO 41 -6.259 -18.298 0.064 237 2HG PRO 41 HG1 PRO 41 -7.149 -16.823 0.472 238 1HD PRO 41 HD2 PRO 41 -4.488 -17.105 -0.806 239 2HD PRO 41 HD1 PRO 41 -5.645 -15.759 -0.889 240 H GLU 42 HN GLU 42 -4.622 -18.122 3.871 241 HA GLU 42 HA GLU 42 -2.270 -17.383 5.318 242 1HB GLU 42 HB2 GLU 42 -2.246 -19.690 6.115 243 2HB GLU 42 HB1 GLU 42 -3.921 -19.134 6.039 244 1HG GLU 42 HG2 GLU 42 -4.037 -20.168 3.719 245 2HG GLU 42 HG1 GLU 42 -2.480 -20.916 4.071 246 H GLU 43 HN GLU 43 -2.721 -18.840 2.200 247 HA GLU 43 HA GLU 43 -0.289 -20.212 1.770 248 1HB GLU 43 HB2 GLU 43 -1.883 -18.439 -0.109 249 2HB GLU 43 HB1 GLU 43 -0.512 -19.419 -0.635 250 1HG GLU 43 HG2 GLU 43 -1.658 -21.451 0.221 251 2HG GLU 43 HG1 GLU 43 -3.043 -20.457 0.676 252 H PHE 44 HN PHE 44 -0.924 -16.807 1.982 253 HA PHE 44 HA PHE 44 1.728 -15.891 1.123 254 1HB PHE 44 HB2 PHE 44 0.621 -13.942 1.096 255 2HB PHE 44 HB1 PHE 44 -0.807 -14.774 1.691 256 HD1 PHE 44 HD1 PHE 44 1.645 -12.278 2.359 257 HD2 PHE 44 HD2 PHE 44 -0.963 -15.112 4.302 258 HE1 PHE 44 HE1 PHE 44 1.790 -10.970 4.451 259 HE2 PHE 44 HE2 PHE 44 -0.809 -13.805 6.399 260 HZ PHE 44 HZ PHE 44 0.567 -11.732 6.479 261 H SER 45 HN SER 45 0.105 -16.724 4.114 262 HA SER 45 HA SER 45 1.761 -15.586 6.079 263 1HB SER 45 HB2 SER 45 -0.292 -17.029 6.483 264 2HB SER 45 HB1 SER 45 0.726 -18.436 6.191 265 HG SER 45 HG SER 45 0.558 -16.781 8.362 266 H GLN 46 HN GLN 46 2.528 -17.972 3.746 267 HA GLN 46 HA GLN 46 4.767 -19.194 5.142 268 1HB GLN 46 HB2 GLN 46 4.921 -20.495 3.287 269 2HB GLN 46 HB1 GLN 46 3.408 -19.736 2.798 270 1HG GLN 46 HG2 GLN 46 6.207 -18.847 2.038 271 2HG GLN 46 HG1 GLN 46 5.003 -19.573 0.977 272 1HE2 GLN 46 HE21 GLN 46 6.224 -16.939 0.640 273 2HE2 GLN 46 HE22 GLN 46 4.971 -15.803 0.702 274 H GLY 47 HN GLY 47 4.244 -16.146 3.899 275 1HA GLY 47 HA2 GLY 47 6.599 -14.928 4.648 276 2HA GLY 47 HA1 GLY 47 6.968 -15.523 3.033 277 H HIS 48 HN HIS 48 7.245 -13.220 2.636 278 HA HIS 48 HA HIS 48 5.070 -12.154 1.150 279 1HB HIS 48 HB2 HIS 48 4.794 -10.060 2.696 280 2HB HIS 48 HB1 HIS 48 3.886 -11.522 3.057 281 HD1 HIS 48 HD1 HIS 48 6.673 -9.362 4.290 282 HD2 HIS 48 HD2 HIS 48 4.829 -12.929 5.401 283 HE1 HIS 48 HE1 HIS 48 7.506 -9.905 6.619 284 HE2 HIS 48 HE2 HIS 48 6.385 -12.048 7.331 285 H ALA 49 HN ALA 49 6.334 -11.562 -0.412 286 HA ALA 49 HA ALA 49 8.920 -10.863 -0.654 287 1HB ALA 49 HB1 ALA 49 7.773 -8.954 -2.343 288 2HB ALA 49 HB2 ALA 49 7.523 -10.730 -2.738 289 3HB ALA 49 HB3 ALA 49 6.880 -9.140 -2.081 290 H CYS 50 HN CYS 50 10.103 -8.904 -0.559 291 HA CYS 50 HA CYS 50 9.390 -7.174 1.745 292 1HB CYS 50 HB2 CYS 50 11.589 -7.857 2.080 293 2HB CYS 50 HB1 CYS 50 11.955 -7.865 0.339 294 HG CYS 50 HG CYS 50 11.436 -5.196 1.854 295 H GLY 51 HN GLY 51 9.772 -4.902 1.533 296 1HA GLY 51 HA2 GLY 51 10.021 -2.898 0.132 297 2HA GLY 51 HA1 GLY 51 9.384 -3.825 -1.233 298 H ALA 52 HN ALA 52 7.545 -4.875 1.143 299 HA ALA 52 HA ALA 52 5.777 -2.616 1.679 300 1HB ALA 52 HB1 ALA 52 4.225 -3.022 -0.155 301 2HB ALA 52 HB2 ALA 52 5.580 -3.899 -1.006 302 3HB ALA 52 HB3 ALA 52 4.009 -3.947 -0.038 303 H ILE 53 HN ILE 53 3.915 -3.296 2.871 304 HA ILE 53 HA ILE 53 4.329 -5.937 4.185 305 HB ILE 53 HB ILE 53 2.978 -3.349 4.956 306 1HG1 ILE 53 HG12 ILE 53 5.053 -5.095 6.333 307 2HG1 ILE 53 HG11 ILE 53 5.412 -3.698 5.302 308 1HG2 ILE 53 HG21 ILE 53 1.488 -5.266 5.823 309 2HG2 ILE 53 HG22 ILE 53 2.909 -5.955 6.738 310 3HG2 ILE 53 HG23 ILE 53 1.619 -4.648 6.534 311 1HD1 ILE 53 HD11 ILE 53 4.049 -2.304 7.023 312 2HD1 ILE 53 HD12 ILE 53 4.070 -3.765 8.137 313 3HD1 ILE 53 HD13 ILE 53 4.962 -2.400 7.299 314 H ASN 54 HN ASN 54 2.878 -7.504 4.020 315 HA ASN 54 HA ASN 54 0.398 -7.001 2.407 316 1HB ASN 54 HB2 ASN 54 2.070 -9.498 2.706 317 2HB ASN 54 HB1 ASN 54 0.532 -9.438 1.850 318 1HD2 ASN 54 HD21 ASN 54 0.746 -9.095 -0.325 319 2HD2 ASN 54 HD22 ASN 54 2.044 -8.324 -1.090 320 H VAL 55 HN VAL 55 -1.483 -7.482 3.300 321 HA VAL 55 HA VAL 55 -1.549 -9.264 5.667 322 HB VAL 55 HB VAL 55 -1.804 -6.348 5.691 323 1HG1 VAL 55 HG11 VAL 55 -4.250 -6.550 5.868 324 2HG1 VAL 55 HG12 VAL 55 -4.245 -8.135 6.766 325 3HG1 VAL 55 HG13 VAL 55 -4.114 -6.288 6.766 326 1HG2 VAL 55 HG21 VAL 55 -1.423 -8.479 7.795 327 2HG2 VAL 55 HG22 VAL 55 -0.526 -6.899 7.576 328 3HG2 VAL 55 HG23 VAL 55 -1.969 -7.820 8.225 329 HA PRO 56 HA PRO 56 -4.963 -10.219 2.877 330 1HB PRO 56 HB2 PRO 56 -4.836 -12.954 3.357 331 2HB PRO 56 HB1 PRO 56 -3.908 -12.094 2.116 332 1HG PRO 56 HG2 PRO 56 -3.006 -13.269 4.619 333 2HG PRO 56 HG1 PRO 56 -2.085 -12.815 3.175 334 1HD PRO 56 HD2 PRO 56 -2.258 -11.378 5.647 335 2HD PRO 56 HD1 PRO 56 -1.406 -10.887 4.167 336 H TYR 57 HN TYR 57 -5.609 -9.068 5.130 337 HA TYR 57 HA TYR 57 -7.196 -8.981 6.905 338 1HB TYR 57 HB2 TYR 57 -8.286 -10.989 4.947 339 2HB TYR 57 HB1 TYR 57 -9.176 -10.498 6.382 340 HD1 TYR 57 HD1 TYR 57 -8.079 -9.482 3.015 341 HD2 TYR 57 HD2 TYR 57 -9.910 -8.160 6.685 342 HE1 TYR 57 HE1 TYR 57 -8.938 -7.468 1.874 343 HE2 TYR 57 HE2 TYR 57 -10.762 -6.154 5.543 344 HH TYR 57 HH TYR 57 -10.502 -4.856 3.650 345 H MET 58 HN MET 58 -5.059 -11.267 6.674 346 HA MET 58 HA MET 58 -5.882 -12.560 9.209 347 1HB MET 58 HB2 MET 58 -5.320 -14.101 6.675 348 2HB MET 58 HB1 MET 58 -5.405 -14.819 8.282 349 1HG MET 58 HG2 MET 58 -7.744 -13.863 8.474 350 2HG MET 58 HG1 MET 58 -7.632 -13.451 6.757 351 1HE MET 58 HE1 MET 58 -6.104 -15.705 5.180 352 2HE MET 58 HE2 MET 58 -7.693 -16.468 4.611 353 3HE MET 58 HE3 MET 58 -6.686 -14.959 4.986 354 H ASN 59 HN ASN 59 -4.159 -13.318 10.370 355 HA ASN 59 HA ASN 59 -1.420 -13.226 9.206 356 1HB ASN 59 HB2 ASN 59 -2.216 -11.639 11.670 357 2HB ASN 59 HB1 ASN 59 -0.598 -11.778 10.982 358 1HD2 ASN 59 HD21 ASN 59 -2.716 -9.488 11.238 359 2HD2 ASN 59 HD22 ASN 59 -2.693 -8.783 9.700 360 H ARG 60 HN ARG 60 -1.161 -15.395 9.599 361 HA ARG 60 HA ARG 60 -1.367 -16.282 12.472 362 1HB ARG 60 HB2 ARG 60 -2.897 -17.569 11.111 363 2HB ARG 60 HB1 ARG 60 -1.637 -17.883 9.917 364 1HG ARG 60 HG2 ARG 60 -0.354 -19.253 11.454 365 2HG ARG 60 HG1 ARG 60 -1.392 -18.789 12.801 366 1HD ARG 60 HD2 ARG 60 -1.986 -21.109 12.043 367 2HD ARG 60 HD1 ARG 60 -3.324 -19.992 11.786 368 HE ARG 60 HE ARG 60 -2.246 -20.090 9.091 369 1HH1 ARG 60 HH21 ARG 60 -1.077 -22.182 10.207 370 2HH1 ARG 60 HH22 ARG 60 -2.316 -23.565 10.920 371 1HH2 ARG 60 HH11 ARG 60 -2.369 -21.149 7.996 372 2HH2 ARG 60 HH12 ARG 60 -3.978 -22.401 8.030 373 H GLY 61 HN GLY 61 0.433 -17.072 13.384 374 1HA GLY 61 HA2 GLY 61 2.671 -18.195 11.974 375 2HA GLY 61 HA1 GLY 61 3.008 -16.508 12.371 376 H ALA 62 HN ALA 62 4.693 -17.595 13.668 377 HA ALA 62 HA ALA 62 4.043 -19.161 16.000 378 1HB ALA 62 HB1 ALA 62 6.573 -17.561 15.928 379 2HB ALA 62 HB2 ALA 62 6.405 -19.367 16.138 380 3HB ALA 62 HB3 ALA 62 6.564 -17.892 15.040 381 H SER 63 HN SER 63 3.163 -16.149 15.226 382 HA SER 63 HA SER 63 3.702 -14.584 17.584 383 1HB SER 63 HB2 SER 63 2.844 -13.572 15.488 384 2HB SER 63 HB1 SER 63 1.327 -14.445 15.692 385 HG SER 63 HG SER 63 2.209 -12.163 16.873 386 H GLY 64 HN GLY 64 1.866 -17.359 17.063 387 1HA GLY 64 HA2 GLY 64 0.987 -18.537 19.073 388 2HA GLY 64 HA1 GLY 64 0.434 -16.969 19.671 389 H MET 65 HN MET 65 0.124 -17.766 16.341 390 HA MET 65 HA MET 65 -1.793 -17.922 14.954 391 1HB MET 65 HB2 MET 65 -2.644 -19.650 17.279 392 2HB MET 65 HB1 MET 65 -3.462 -19.578 15.719 393 1HG MET 65 HG2 MET 65 -1.381 -20.280 14.598 394 2HG MET 65 HG1 MET 65 -0.583 -20.402 16.172 395 1HE MET 65 HE1 MET 65 -4.497 -22.009 15.143 396 2HE MET 65 HE2 MET 65 -3.395 -21.177 13.909 397 3HE MET 65 HE3 MET 65 -4.162 -22.721 14.576 398 H SER 66 HN SER 66 -2.678 -15.952 14.858 399 HA SER 66 HA SER 66 -5.191 -15.478 16.239 400 1HB SER 66 HB2 SER 66 -2.743 -13.908 17.044 401 2HB SER 66 HB1 SER 66 -4.361 -13.227 17.190 402 HG SER 66 HG SER 66 -3.095 -15.084 18.710 403 H LYS 67 HN LYS 67 -5.965 -15.272 14.160 404 HA LYS 67 HA LYS 67 -4.863 -13.036 12.515 405 1HB LYS 67 HB2 LYS 67 -6.499 -14.135 10.769 406 2HB LYS 67 HB1 LYS 67 -4.938 -14.889 11.095 407 1HG LYS 67 HG2 LYS 67 -5.982 -16.467 12.625 408 2HG LYS 67 HG1 LYS 67 -7.540 -15.657 12.444 409 1HD LYS 67 HD2 LYS 67 -7.717 -17.453 10.952 410 2HD LYS 67 HD1 LYS 67 -7.206 -16.130 9.902 411 1HE LYS 67 HE2 LYS 67 -5.903 -18.196 9.472 412 2HE LYS 67 HE1 LYS 67 -4.885 -16.884 10.082 413 1HZ LYS 67 HZ1 LYS 67 -4.410 -18.536 11.748 414 2HZ LYS 67 HZ2 LYS 67 -6.052 -18.330 12.399 415 3HZ LYS 67 HZ3 LYS 67 -4.903 -19.252 11.398 416 H ASN 68 HN ASN 68 -6.170 -11.404 11.863 417 HA ASN 68 HA ASN 68 -8.060 -10.274 13.562 418 1HB ASN 68 HB2 ASN 68 -8.096 -10.053 10.552 419 2HB ASN 68 HB1 ASN 68 -8.773 -8.900 11.699 420 1HD2 ASN 68 HD21 ASN 68 -6.738 -8.733 13.571 421 2HD2 ASN 68 HD22 ASN 68 -5.338 -8.107 12.856 422 H THR 69 HN THR 69 -10.089 -10.616 14.037 423 HA THR 69 HA THR 69 -11.822 -12.157 12.197 424 HB THR 69 HB THR 69 -11.363 -12.939 15.073 425 HG1 THR 69 HG1 THR 69 -9.869 -14.100 14.386 426 1HG2 THR 69 HG21 THR 69 -13.498 -13.867 14.371 427 2HG2 THR 69 HG22 THR 69 -12.988 -14.241 12.688 428 3HG2 THR 69 HG23 THR 69 -13.088 -14.710 14.494 429 H ASP 70 HN ASP 70 -14.107 -11.894 12.736 430 HA ASP 70 HA ASP 70 -15.939 -10.497 13.357 431 1HB ASP 70 HB2 ASP 70 -14.306 -10.372 15.916 432 2HB ASP 70 HB1 ASP 70 -15.987 -9.875 15.766 433 H PHE 71 HN PHE 71 -14.111 -9.226 11.853 434 HA PHE 71 HA PHE 71 -12.783 -6.911 12.679 435 1HB PHE 71 HB2 PHE 71 -14.547 -7.276 10.250 436 2HB PHE 71 HB1 PHE 71 -13.357 -5.996 10.442 437 HD1 PHE 71 HD1 PHE 71 -10.934 -6.537 10.505 438 HD2 PHE 71 HD2 PHE 71 -13.905 -9.549 9.646 439 HE1 PHE 71 HE1 PHE 71 -9.176 -7.998 9.565 440 HE2 PHE 71 HE2 PHE 71 -12.138 -11.013 8.712 441 HZ PHE 71 HZ PHE 71 -9.770 -10.243 8.669 442 H LEU 72 HN LEU 72 -16.184 -7.574 12.522 443 HA LEU 72 HA LEU 72 -17.283 -5.003 12.418 444 1HB LEU 72 HB2 LEU 72 -18.233 -7.510 13.843 445 2HB LEU 72 HB1 LEU 72 -19.125 -6.001 13.973 446 HG LEU 72 HG LEU 72 -19.629 -7.786 12.061 447 1HD1 LEU 72 HD11 LEU 72 -20.231 -5.463 10.733 448 2HD1 LEU 72 HD12 LEU 72 -21.104 -5.760 12.305 449 3HD1 LEU 72 HD13 LEU 72 -19.809 -4.857 11.328 450 1HD2 LEU 72 HD21 LEU 72 -17.964 -7.682 10.333 451 2HD2 LEU 72 HD22 LEU 72 -17.850 -5.859 10.369 452 3HD2 LEU 72 HD23 LEU 72 -17.256 -7.505 10.945 453 H GLU 73 HN GLU 73 -16.081 -6.746 15.249 454 HA GLU 73 HA GLU 73 -16.552 -4.728 17.214 455 1HB GLU 73 HB2 GLU 73 -15.012 -5.889 18.570 456 2HB GLU 73 HB1 GLU 73 -15.599 -7.146 17.488 457 1HG GLU 73 HG2 GLU 73 -13.581 -6.559 15.993 458 2HG GLU 73 HG1 GLU 73 -12.962 -5.677 17.390 459 H GLN 74 HN GLN 74 -13.999 -5.089 14.808 460 HA GLN 74 HA GLN 74 -12.519 -2.733 15.813 461 1HB GLN 74 HB2 GLN 74 -12.189 -4.616 13.478 462 2HB GLN 74 HB1 GLN 74 -11.268 -3.109 13.552 463 1HG GLN 74 HG2 GLN 74 -11.347 -5.145 15.783 464 2HG GLN 74 HG1 GLN 74 -10.094 -5.109 14.548 465 1HE2 GLN 74 HE21 GLN 74 -10.407 -4.379 17.626 466 2HE2 GLN 74 HE22 GLN 74 -9.492 -2.960 17.746 467 H VAL 75 HN VAL 75 -14.462 -3.569 12.942 468 HA VAL 75 HA VAL 75 -14.355 -0.894 11.828 469 HB VAL 75 HB VAL 75 -16.532 -2.983 11.409 470 1HG1 VAL 75 HG11 VAL 75 -15.758 -0.652 9.640 471 2HG1 VAL 75 HG12 VAL 75 -17.183 -1.783 9.373 472 3HG1 VAL 75 HG13 VAL 75 -16.408 -0.401 10.293 473 1HG2 VAL 75 HG21 VAL 75 -14.890 -3.645 9.429 474 2HG2 VAL 75 HG22 VAL 75 -13.568 -2.753 10.379 475 3HG2 VAL 75 HG23 VAL 75 -14.739 -4.152 10.223 476 H SER 76 HN SER 76 -16.758 -2.642 13.770 477 HA SER 76 HA SER 76 -18.735 -0.609 13.974 478 1HB SER 76 HB2 SER 76 -18.961 -2.921 14.941 479 2HB SER 76 HB1 SER 76 -17.840 -2.457 16.218 480 HG SER 76 HG SER 76 -20.446 -1.553 15.677 481 H SER 77 HN SER 77 -15.634 -0.982 15.589 482 HA SER 77 HA SER 77 -16.028 1.204 17.485 483 1HB SER 77 HB2 SER 77 -13.732 0.944 18.032 484 2HB SER 77 HB1 SER 77 -14.267 -0.684 17.628 485 HG SER 77 HG SER 77 -12.644 -0.584 16.298 486 H HIS 78 HN HIS 78 -15.866 1.212 14.212 487 HA HIS 78 HA HIS 78 -15.705 3.056 12.716 488 1HB HIS 78 HB2 HIS 78 -16.208 4.301 15.066 489 2HB HIS 78 HB1 HIS 78 -14.548 4.847 14.827 490 HD1 HIS 78 HD1 HIS 78 -14.129 6.598 12.987 491 HD2 HIS 78 HD2 HIS 78 -18.017 5.094 12.941 492 HE1 HIS 78 HE1 HIS 78 -15.435 8.006 11.326 493 HE2 HIS 78 HE2 HIS 78 -17.785 7.098 11.261 494 H PHE 79 HN PHE 79 -13.821 1.251 12.542 495 HA PHE 79 HA PHE 79 -11.393 2.770 11.852 496 1HB PHE 79 HB2 PHE 79 -11.481 0.863 14.165 497 2HB PHE 79 HB1 PHE 79 -9.992 1.159 13.278 498 HD1 PHE 79 HD1 PHE 79 -9.132 3.534 13.089 499 HD2 PHE 79 HD2 PHE 79 -12.260 2.401 15.835 500 HE1 PHE 79 HE1 PHE 79 -8.698 5.572 14.415 501 HE2 PHE 79 HE2 PHE 79 -11.828 4.448 17.159 502 HZ PHE 79 HZ PHE 79 -10.046 6.039 16.454 503 H GLY 80 HN GLY 80 -10.317 1.738 10.258 504 1HA GLY 80 HA2 GLY 80 -11.195 -1.020 9.492 505 2HA GLY 80 HA1 GLY 80 -10.669 0.201 8.334 506 H GLN 81 HN GLN 81 -9.712 -2.563 9.236 507 HA GLN 81 HA GLN 81 -7.198 -2.571 10.443 508 1HB GLN 81 HB2 GLN 81 -6.721 -4.572 9.227 509 2HB GLN 81 HB1 GLN 81 -8.477 -4.543 9.395 510 1HG GLN 81 HG2 GLN 81 -8.514 -3.364 7.120 511 2HG GLN 81 HG1 GLN 81 -6.830 -3.852 6.961 512 1HE2 GLN 81 HE21 GLN 81 -7.037 -5.439 5.369 513 2HE2 GLN 81 HE22 GLN 81 -7.976 -6.837 5.535 514 H SER 82 HN SER 82 -8.107 -1.032 7.510 515 HA SER 82 HA SER 82 -5.215 -0.329 7.035 516 1HB SER 82 HB2 SER 82 -7.438 -0.881 5.056 517 2HB SER 82 HB1 SER 82 -6.018 0.062 4.612 518 HG SER 82 HG SER 82 -4.797 -1.783 5.445 519 H ASP 83 HN ASP 83 -7.548 0.846 8.594 520 HA ASP 83 HA ASP 83 -8.721 3.160 7.557 521 1HB ASP 83 HB2 ASP 83 -8.759 2.270 9.979 522 2HB ASP 83 HB1 ASP 83 -7.284 3.203 10.212 523 H ASN 84 HN ASN 84 -7.809 4.600 6.284 524 HA ASN 84 HA ASN 84 -6.280 6.209 5.443 525 1HB ASN 84 HB2 ASN 84 -5.045 6.196 8.188 526 2HB ASN 84 HB1 ASN 84 -5.114 7.521 7.027 527 1HD2 ASN 84 HD21 ASN 84 -7.865 7.262 6.324 528 2HD2 ASN 84 HD22 ASN 84 -8.804 7.679 7.668 529 H ILE 85 HN ILE 85 -5.561 3.995 4.491 530 HA ILE 85 HA ILE 85 -2.626 3.948 4.848 531 HB ILE 85 HB ILE 85 -4.460 1.599 5.232 532 1HG1 ILE 85 HG12 ILE 85 -2.256 2.910 6.845 533 2HG1 ILE 85 HG11 ILE 85 -3.983 2.858 7.228 534 1HG2 ILE 85 HG21 ILE 85 -2.594 0.446 4.046 535 2HG2 ILE 85 HG22 ILE 85 -1.331 1.637 4.675 536 3HG2 ILE 85 HG23 ILE 85 -2.404 0.185 4.942 537 1HD1 ILE 85 HD11 ILE 85 -2.182 0.453 7.405 538 2HD1 ILE 85 HD12 ILE 85 -3.552 0.924 8.540 539 3HD1 ILE 85 HD13 ILE 85 -2.974 0.130 6.985 540 H ILE 86 HN ILE 86 -1.728 2.353 3.114 541 HA ILE 86 HA ILE 86 -3.246 2.849 0.585 542 HB ILE 86 HB ILE 86 -0.269 2.311 0.968 543 1HG1 ILE 86 HG12 ILE 86 -1.781 4.939 0.411 544 2HG1 ILE 86 HG11 ILE 86 -1.058 4.507 1.967 545 1HG2 ILE 86 HG21 ILE 86 -1.905 2.828 -1.517 546 2HG2 ILE 86 HG22 ILE 86 -0.108 3.186 -1.504 547 3HG2 ILE 86 HG23 ILE 86 -1.495 1.976 -1.450 548 1HD1 ILE 86 HD11 ILE 86 0.492 5.730 -0.030 549 2HD1 ILE 86 HD12 ILE 86 1.293 4.600 1.172 550 3HD1 ILE 86 HD13 ILE 86 0.646 4.934 -0.526 551 H VAL 87 HN VAL 87 -4.268 1.089 -0.031 552 HA VAL 87 HA VAL 87 -3.014 -1.566 0.524 553 HB VAL 87 HB VAL 87 -5.922 -0.852 0.076 554 1HG1 VAL 87 HG11 VAL 87 -5.928 -3.300 -0.298 555 2HG1 VAL 87 HG12 VAL 87 -4.490 -3.559 0.825 556 3HG1 VAL 87 HG13 VAL 87 -6.282 -3.296 0.594 557 1HG2 VAL 87 HG21 VAL 87 -5.317 -1.772 2.767 558 2HG2 VAL 87 HG22 VAL 87 -4.526 -0.154 2.385 559 3HG2 VAL 87 HG23 VAL 87 -6.038 -1.160 2.623 560 H GLY 88 HN GLY 88 -3.866 -3.220 -1.140 561 1HA GLY 88 HA2 GLY 88 -4.429 -2.364 -3.847 562 2HA GLY 88 HA1 GLY 88 -2.714 -2.736 -3.639 563 H CYS 89 HN CYS 89 -3.899 -4.256 -5.390 564 HA CYS 89 HA CYS 89 -4.295 -6.841 -3.955 565 1HB CYS 89 HB2 CYS 89 -6.473 -5.918 -4.869 566 2HB CYS 89 HB1 CYS 89 -5.799 -6.112 -6.477 567 HG CYS 89 HG CYS 89 -6.630 -8.435 -4.564 568 H GLN 90 HN GLN 90 -2.779 -8.189 -4.431 569 HA GLN 90 HA GLN 90 -0.816 -7.740 -6.481 570 1HB GLN 90 HB2 GLN 90 -0.435 -9.038 -4.358 571 2HB GLN 90 HB1 GLN 90 -1.381 -10.348 -5.061 572 1HG GLN 90 HG2 GLN 90 0.969 -9.186 -6.533 573 2HG GLN 90 HG1 GLN 90 1.196 -10.452 -5.330 574 1HE2 GLN 90 HE21 GLN 90 -0.326 -12.420 -5.716 575 2HE2 GLN 90 HE22 GLN 90 -0.534 -12.910 -7.323 576 H SER 91 HN SER 91 -3.620 -9.809 -6.333 577 HA SER 91 HA SER 91 -3.178 -11.274 -8.752 578 1HB SER 91 HB2 SER 91 -5.613 -10.582 -7.132 579 2HB SER 91 HB1 SER 91 -5.796 -11.375 -8.693 580 HG SER 91 HG SER 91 -5.304 -13.136 -7.687 581 H GLY 92 HN GLY 92 -4.325 -10.990 -10.768 582 1HA GLY 92 HA2 GLY 92 -3.794 -8.637 -12.120 583 2HA GLY 92 HA1 GLY 92 -5.114 -9.704 -12.606 584 H GLY 93 HN GLY 93 -5.255 -6.968 -12.910 585 1HA GLY 93 HA2 GLY 93 -6.468 -5.434 -10.869 586 2HA GLY 93 HA1 GLY 93 -6.779 -5.212 -12.595 587 H ARG 94 HN ARG 94 -7.729 -7.988 -12.868 588 HA ARG 94 HA ARG 94 -10.531 -7.565 -12.619 589 1HB ARG 94 HB2 ARG 94 -8.996 -10.186 -12.628 590 2HB ARG 94 HB1 ARG 94 -10.748 -10.038 -12.853 591 1HG ARG 94 HG2 ARG 94 -10.275 -8.480 -14.798 592 2HG ARG 94 HG1 ARG 94 -8.570 -8.815 -14.560 593 1HD ARG 94 HD2 ARG 94 -8.974 -11.165 -14.817 594 2HD ARG 94 HD1 ARG 94 -10.647 -10.789 -15.379 595 HE ARG 94 HE ARG 94 -9.409 -9.189 -17.247 596 1HH1 ARG 94 HH21 ARG 94 -7.352 -10.518 -16.316 597 2HH1 ARG 94 HH22 ARG 94 -7.437 -12.494 -16.537 598 1HH2 ARG 94 HH11 ARG 94 -8.658 -9.489 -18.504 599 2HH2 ARG 94 HH12 ARG 94 -9.015 -11.257 -19.455 600 H SER 95 HN SER 95 -8.175 -8.681 -10.333 601 HA SER 95 HA SER 95 -10.222 -9.591 -8.408 602 1HB SER 95 HB2 SER 95 -8.049 -10.752 -8.466 603 2HB SER 95 HB1 SER 95 -7.217 -9.244 -8.100 604 HG SER 95 HG SER 95 -8.510 -9.200 -6.145 605 H ILE 96 HN ILE 96 -8.212 -6.805 -8.991 606 HA ILE 96 HA ILE 96 -8.515 -5.527 -6.459 607 HB ILE 96 HB ILE 96 -7.078 -4.978 -8.670 608 1HG1 ILE 96 HG12 ILE 96 -6.698 -3.955 -6.498 609 2HG1 ILE 96 HG11 ILE 96 -6.745 -2.661 -7.720 610 1HG2 ILE 96 HG21 ILE 96 -9.384 -4.027 -9.799 611 2HG2 ILE 96 HG22 ILE 96 -8.770 -2.471 -9.018 612 3HG2 ILE 96 HG23 ILE 96 -8.553 -3.834 -10.217 613 1HD1 ILE 96 HD11 ILE 96 -9.223 -2.336 -6.946 614 2HD1 ILE 96 HD12 ILE 96 -8.836 -3.401 -5.504 615 3HD1 ILE 96 HD13 ILE 96 -8.616 -1.819 -6.412 616 H LYS 97 HN LYS 97 -10.642 -5.804 -9.230 617 HA LYS 97 HA LYS 97 -12.513 -3.725 -8.524 618 1HB LYS 97 HB2 LYS 97 -12.823 -6.312 -10.087 619 2HB LYS 97 HB1 LYS 97 -14.140 -5.148 -9.892 620 1HG LYS 97 HG2 LYS 97 -12.929 -3.435 -11.024 621 2HG LYS 97 HG1 LYS 97 -11.420 -4.342 -10.938 622 1HD LYS 97 HD2 LYS 97 -12.629 -4.344 -13.191 623 2HD LYS 97 HD1 LYS 97 -12.159 -5.921 -12.551 624 1HE LYS 97 HE2 LYS 97 -14.523 -5.765 -13.459 625 2HE LYS 97 HE1 LYS 97 -14.367 -6.368 -11.807 626 1HZ LYS 97 HZ1 LYS 97 -15.246 -4.215 -11.064 627 2HZ LYS 97 HZ2 LYS 97 -14.997 -3.410 -12.632 628 3HZ LYS 97 HZ3 LYS 97 -15.947 -4.513 -11.608 629 H ALA 98 HN ALA 98 -12.408 -7.185 -7.753 630 HA ALA 98 HA ALA 98 -14.802 -7.302 -6.223 631 1HB ALA 98 HB1 ALA 98 -13.452 -9.382 -5.245 632 2HB ALA 98 HB2 ALA 98 -13.261 -9.335 -7.083 633 3HB ALA 98 HB3 ALA 98 -12.559 -9.082 -5.412 634 H THR 99 HN THR 99 -11.499 -6.713 -5.168 635 HA THR 99 HA THR 99 -11.994 -6.275 -2.406 636 HB THR 99 HB THR 99 -9.930 -4.541 -3.341 637 HG1 THR 99 HG1 THR 99 -9.214 -6.858 -4.432 638 1HG2 THR 99 HG21 THR 99 -9.539 -6.020 -1.358 639 2HG2 THR 99 HG22 THR 99 -9.723 -7.548 -2.346 640 3HG2 THR 99 HG23 THR 99 -8.706 -6.090 -1.820 641 H THR 100 HN THR 100 -11.872 -4.005 -5.112 642 HA THR 100 HA THR 100 -12.460 -1.606 -3.726 643 HB THR 100 HB THR 100 -13.209 -2.456 -6.540 644 HG1 THR 100 HG1 THR 100 -11.095 -2.742 -6.307 645 1HG2 THR 100 HG21 THR 100 -14.131 -0.160 -6.211 646 2HG2 THR 100 HG22 THR 100 -12.651 0.408 -5.276 647 3HG2 THR 100 HG23 THR 100 -13.464 0.011 -6.878 648 H ASP 101 HN ASP 101 -14.664 -3.912 -5.293 649 HA ASP 101 HA ASP 101 -17.145 -2.618 -4.489 650 1HB ASP 101 HB2 ASP 101 -16.527 -5.536 -5.099 651 2HB ASP 101 HB1 ASP 101 -18.142 -4.852 -4.939 652 H LEU 102 HN LEU 102 -15.106 -5.148 -3.106 653 HA LEU 102 HA LEU 102 -16.831 -5.693 -0.866 654 1HB LEU 102 HB2 LEU 102 -14.818 -7.093 -1.887 655 2HB LEU 102 HB1 LEU 102 -13.861 -6.153 -0.751 656 HG LEU 102 HG LEU 102 -16.324 -7.663 0.147 657 1HD1 LEU 102 HD11 LEU 102 -14.203 -9.328 0.791 658 2HD1 LEU 102 HD12 LEU 102 -14.911 -9.513 -0.888 659 3HD1 LEU 102 HD13 LEU 102 -13.555 -8.917 0.230 660 1HD2 LEU 102 HD21 LEU 102 -15.458 -6.768 2.254 661 2HD2 LEU 102 HD22 LEU 102 -13.706 -7.110 1.811 662 3HD2 LEU 102 HD23 LEU 102 -15.165 -6.000 1.766 663 H LEU 103 HN LEU 103 -14.087 -3.564 -1.366 664 HA LEU 103 HA LEU 103 -14.006 -2.590 1.371 665 1HB LEU 103 HB2 LEU 103 -12.798 -1.803 -1.271 666 2HB LEU 103 HB1 LEU 103 -12.781 -0.623 0.035 667 HG LEU 103 HG LEU 103 -11.663 -2.317 1.492 668 1HD1 LEU 103 HD11 LEU 103 -12.317 -4.455 0.086 669 2HD1 LEU 103 HD12 LEU 103 -10.952 -3.987 -1.062 670 3HD1 LEU 103 HD13 LEU 103 -11.506 -4.564 0.580 671 1HD2 LEU 103 HD21 LEU 103 -9.458 -1.886 0.252 672 2HD2 LEU 103 HD22 LEU 103 -10.355 -1.538 -1.325 673 3HD2 LEU 103 HD23 LEU 103 -9.840 -1.022 0.368 674 H HIS 104 HN HIS 104 -15.835 -1.789 -1.490 675 HA HIS 104 HA HIS 104 -16.755 0.831 -0.692 676 1HB HIS 104 HB2 HIS 104 -16.964 -0.117 -3.007 677 2HB HIS 104 HB1 HIS 104 -18.180 -1.248 -2.412 678 HD1 HIS 104 HD1 HIS 104 -17.615 2.548 -2.386 679 HD2 HIS 104 HD2 HIS 104 -20.716 -0.224 -2.645 680 HE1 HIS 104 HE1 HIS 104 -19.744 3.876 -2.745 681 HE2 HIS 104 HE2 HIS 104 -21.635 2.219 -2.932 682 H ALA 105 HN ALA 105 -17.756 -2.429 0.069 683 HA ALA 105 HA ALA 105 -19.675 -1.290 2.047 684 1HB ALA 105 HB1 ALA 105 -21.279 -3.206 1.295 685 2HB ALA 105 HB2 ALA 105 -20.659 -2.503 -0.300 686 3HB ALA 105 HB3 ALA 105 -20.632 -3.815 0.967 687 H GLY 106 HN GLY 106 -16.981 -2.067 2.416 688 1HA GLY 106 HA2 GLY 106 -17.352 -4.092 4.520 689 2HA GLY 106 HA1 GLY 106 -16.182 -4.516 3.268 690 H PHE 107 HN PHE 107 -14.596 -2.652 2.825 691 HA PHE 107 HA PHE 107 -13.866 -1.219 5.351 692 1HB PHE 107 HB2 PHE 107 -12.017 -2.940 3.693 693 2HB PHE 107 HB1 PHE 107 -11.503 -1.889 5.010 694 HD1 PHE 107 HD1 PHE 107 -11.968 -2.491 7.367 695 HD2 PHE 107 HD2 PHE 107 -13.327 -4.973 4.106 696 HE1 PHE 107 HE1 PHE 107 -12.531 -4.297 8.967 697 HE2 PHE 107 HE2 PHE 107 -13.879 -6.773 5.708 698 HZ PHE 107 HZ PHE 107 -13.485 -6.442 8.142 699 H THR 108 HN THR 108 -12.459 0.611 4.941 700 HA THR 108 HA THR 108 -11.702 1.354 2.236 701 HB THR 108 HB THR 108 -14.145 1.826 2.165 702 HG1 THR 108 HG1 THR 108 -12.892 4.282 2.299 703 1HG2 THR 108 HG21 THR 108 -13.846 3.090 4.735 704 2HG2 THR 108 HG22 THR 108 -14.599 4.266 3.547 705 3HG2 THR 108 HG23 THR 108 -14.692 2.694 4.512 706 H GLY 109 HN GLY 109 -11.677 4.117 2.591 707 1HA GLY 109 HA2 GLY 109 -10.582 5.886 3.731 708 2HA GLY 109 HA1 GLY 109 -10.421 4.837 5.147 709 H VAL 110 HN VAL 110 -9.438 3.609 2.096 710 HA VAL 110 HA VAL 110 -6.581 4.268 2.630 711 HB VAL 110 HB VAL 110 -6.030 2.191 3.242 712 1HG1 VAL 110 HG11 VAL 110 -8.431 2.110 4.351 713 2HG1 VAL 110 HG12 VAL 110 -8.965 1.092 2.920 714 3HG1 VAL 110 HG13 VAL 110 -7.947 1.293 4.437 715 1HG2 VAL 110 HG21 VAL 110 -7.563 1.137 0.836 716 2HG2 VAL 110 HG22 VAL 110 -5.734 1.270 1.001 717 3HG2 VAL 110 HG23 VAL 110 -7.320 0.431 1.424 718 H LYS 111 HN LYS 111 -5.222 3.539 0.753 719 HA LYS 111 HA LYS 111 -6.718 4.126 -1.757 720 1HB LYS 111 HB2 LYS 111 -3.741 4.193 -1.128 721 2HB LYS 111 HB1 LYS 111 -4.437 4.586 -2.703 722 1HG LYS 111 HG2 LYS 111 -5.809 6.365 -1.621 723 2HG LYS 111 HG1 LYS 111 -5.002 6.027 -0.087 724 1HD LYS 111 HD2 LYS 111 -2.806 6.516 -1.200 725 2HD LYS 111 HD1 LYS 111 -3.690 6.990 -2.649 726 1HE LYS 111 HE2 LYS 111 -4.665 8.865 -1.616 727 2HE LYS 111 HE1 LYS 111 -4.319 8.271 0.019 728 1HZ LYS 111 HZ1 LYS 111 -2.312 9.525 -0.290 729 2HZ LYS 111 HZ2 LYS 111 -1.798 8.437 -1.605 730 3HZ LYS 111 HZ3 LYS 111 -2.561 9.956 -1.087 731 H ASP 112 HN ASP 112 -6.508 2.813 -3.548 732 HA ASP 112 HA ASP 112 -5.657 -0.008 -2.963 733 1HB ASP 112 HB2 ASP 112 -8.075 1.059 -4.125 734 2HB ASP 112 HB1 ASP 112 -7.255 0.036 -5.297 735 H ILE 113 HN ILE 113 -3.696 -0.237 -3.805 736 HA ILE 113 HA ILE 113 -2.876 1.176 -6.239 737 HB ILE 113 HB ILE 113 -1.481 -0.900 -4.510 738 1HG1 ILE 113 HG12 ILE 113 -1.185 2.127 -4.783 739 2HG1 ILE 113 HG11 ILE 113 -1.948 1.289 -3.434 740 1HG2 ILE 113 HG21 ILE 113 -0.449 0.602 -6.912 741 2HG2 ILE 113 HG22 ILE 113 0.622 -0.406 -5.840 742 3HG2 ILE 113 HG23 ILE 113 -0.676 -0.293 -7.159 743 1HD1 ILE 113 HD11 ILE 113 0.310 1.152 -2.576 744 2HD1 ILE 113 HD12 ILE 113 0.832 0.136 -4.011 745 3HD1 ILE 113 HD13 ILE 113 0.706 1.775 -3.179 746 H VAL 114 HN VAL 114 -3.157 0.385 -8.228 747 HA VAL 114 HA VAL 114 -3.930 -2.483 -8.528 748 HB VAL 114 HB VAL 114 -4.145 -0.143 -10.472 749 1HG1 VAL 114 HG11 VAL 114 -4.502 -3.032 -11.006 750 2HG1 VAL 114 HG12 VAL 114 -5.946 -2.023 -11.537 751 3HG1 VAL 114 HG13 VAL 114 -4.153 -2.433 -11.661 752 1HG2 VAL 114 HG21 VAL 114 -6.687 -1.178 -9.544 753 2HG2 VAL 114 HG22 VAL 114 -5.718 -0.580 -8.121 754 3HG2 VAL 114 HG23 VAL 114 -6.600 -0.242 -9.719 755 H GLY 115 HN GLY 115 -2.754 -3.850 -9.668 756 1HA GLY 115 HA2 GLY 115 -0.927 -3.427 -11.724 757 2HA GLY 115 HA1 GLY 115 0.022 -3.241 -10.249 758 H GLY 116 HN GLY 116 1.208 -5.102 -10.565 759 1HA GLY 116 HA2 GLY 116 -0.130 -7.619 -9.807 760 2HA GLY 116 HA1 GLY 116 0.646 -7.618 -11.393 761 H TYR 117 HN TYR 117 1.725 -9.363 -9.986 762 HA TYR 117 HA TYR 117 3.682 -8.827 -7.998 763 1HB TYR 117 HB2 TYR 117 2.811 -11.059 -8.668 764 2HB TYR 117 HB1 TYR 117 3.701 -10.915 -10.175 765 HD1 TYR 117 HD1 TYR 117 6.061 -11.333 -10.296 766 HD2 TYR 117 HD2 TYR 117 4.077 -11.228 -6.470 767 HE1 TYR 117 HE1 TYR 117 8.095 -12.203 -9.213 768 HE2 TYR 117 HE2 TYR 117 6.117 -12.110 -5.393 769 HH TYR 117 HH TYR 117 9.143 -12.298 -7.057 770 H SER 118 HN SER 118 3.770 -8.611 -11.485 771 HA SER 118 HA SER 118 6.570 -8.398 -11.900 772 1HB SER 118 HB2 SER 118 4.886 -8.562 -13.732 773 2HB SER 118 HB1 SER 118 4.386 -6.907 -13.391 774 HG SER 118 HG SER 118 6.260 -7.640 -15.001 775 H ALA 119 HN ALA 119 4.255 -6.081 -10.749 776 HA ALA 119 HA ALA 119 5.884 -3.753 -10.989 777 1HB ALA 119 HB1 ALA 119 3.972 -3.719 -8.715 778 2HB ALA 119 HB2 ALA 119 3.765 -2.856 -10.341 779 3HB ALA 119 HB3 ALA 119 3.501 -4.317 -9.283 780 H TRP 120 HN TRP 120 5.566 -6.177 -8.460 781 HA TRP 120 HA TRP 120 7.304 -4.951 -6.524 782 1HB TRP 120 HB2 TRP 120 5.805 -7.306 -6.666 783 2HB TRP 120 HB1 TRP 120 7.459 -7.905 -6.665 784 HD1 TRP 120 HD1 TRP 120 9.041 -6.771 -4.542 785 HE1 TRP 120 HE1 TRP 120 8.272 -6.456 -2.107 786 HE3 TRP 120 HE3 TRP 120 3.986 -6.942 -5.117 787 HZ2 TRP 120 HZ2 TRP 120 5.855 -6.297 -0.578 788 HZ3 TRP 120 HZ3 TRP 120 2.459 -6.716 -3.193 789 HH2 TRP 120 HH2 TRP 120 3.405 -6.392 -0.908 790 H ALA 121 HN ALA 121 7.840 -6.868 -9.388 791 HA ALA 121 HA ALA 121 10.585 -7.489 -9.031 792 1HB ALA 121 HB1 ALA 121 9.314 -6.949 -11.758 793 2HB ALA 121 HB2 ALA 121 10.570 -8.244 -11.334 794 3HB ALA 121 HB3 ALA 121 8.850 -7.642 -11.306 795 H LYS 122 HN LYS 122 8.985 -4.579 -10.161 796 HA LYS 122 HA LYS 122 11.257 -3.135 -11.094 797 1HB LYS 122 HB2 LYS 122 8.774 -2.090 -9.667 798 2HB LYS 122 HB1 LYS 122 9.912 -1.095 -10.582 799 1HG LYS 122 HG2 LYS 122 9.444 -2.692 -12.554 800 2HG LYS 122 HG1 LYS 122 8.057 -3.234 -11.605 801 1HD LYS 122 HD2 LYS 122 8.602 -0.399 -12.513 802 2HD LYS 122 HD1 LYS 122 7.335 -1.465 -13.124 803 1HE LYS 122 HE2 LYS 122 6.577 -1.568 -10.603 804 2HE LYS 122 HE1 LYS 122 7.572 -0.113 -10.440 805 1HZ LYS 122 HZ1 LYS 122 5.999 0.551 -12.531 806 2HZ LYS 122 HZ2 LYS 122 4.837 -0.395 -11.572 807 3HZ LYS 122 HZ3 LYS 122 5.902 1.027 -11.728 808 H ASN 123 HN ASN 123 9.926 -3.612 -7.846 809 HA ASN 123 HA ASN 123 11.748 -1.859 -6.416 810 1HB ASN 123 HB2 ASN 123 10.512 -4.452 -5.455 811 2HB ASN 123 HB1 ASN 123 11.151 -3.158 -4.448 812 1HD2 ASN 123 HD21 ASN 123 10.040 -0.972 -5.914 813 2HD2 ASN 123 HD22 ASN 123 8.360 -1.004 -5.715 814 H GLY 124 HN GLY 124 11.775 -5.401 -6.540 815 1HA GLY 124 HA2 GLY 124 13.679 -6.774 -7.166 816 2HA GLY 124 HA1 GLY 124 14.725 -5.367 -6.945 817 H LEU 125 HN LEU 125 12.361 -5.817 -4.528 818 HA LEU 125 HA LEU 125 14.396 -7.111 -2.746 819 1HB LEU 125 HB2 LEU 125 12.522 -4.825 -2.029 820 2HB LEU 125 HB1 LEU 125 13.593 -5.658 -0.896 821 HG LEU 125 HG LEU 125 14.779 -4.563 -3.417 822 1HD1 LEU 125 HD11 LEU 125 14.947 -2.385 -1.613 823 2HD1 LEU 125 HD12 LEU 125 13.528 -2.477 -2.782 824 3HD1 LEU 125 HD13 LEU 125 14.222 -2.699 -1.083 825 1HD2 LEU 125 HD21 LEU 125 16.316 -5.694 -1.709 826 2HD2 LEU 125 HD22 LEU 125 16.631 -3.914 -1.422 827 3HD2 LEU 125 HD23 LEU 125 15.881 -5.507 -0.877 828 HA PRO 126 HA PRO 126 10.365 -9.245 -2.281 829 1HB PRO 126 HB2 PRO 126 10.959 -11.573 -3.655 830 2HB PRO 126 HB1 PRO 126 10.242 -10.125 -4.385 831 1HG PRO 126 HG2 PRO 126 12.815 -11.265 -4.852 832 2HG PRO 126 HG1 PRO 126 12.061 -9.862 -5.626 833 1HD PRO 126 HD2 PRO 126 14.056 -9.937 -3.442 834 2HD PRO 126 HD1 PRO 126 13.677 -8.627 -4.581 835 H THR 127 HN THR 127 10.345 -9.999 -0.242 836 HA THR 127 HA THR 127 12.190 -12.256 0.459 837 HB THR 127 HB THR 127 12.199 -11.338 2.753 838 HG1 THR 127 HG1 THR 127 10.564 -10.133 3.192 839 1HG2 THR 127 HG21 THR 127 13.282 -9.676 0.510 840 2HG2 THR 127 HG22 THR 127 13.493 -9.097 2.258 841 3HG2 THR 127 HG23 THR 127 13.804 -10.322 0.955 842 H LYS 128 HN LYS 128 11.172 -14.037 1.076 843 HA LYS 128 HA LYS 128 8.787 -14.202 2.607 844 1HB LYS 128 HB2 LYS 128 7.189 -14.945 0.851 845 2HB LYS 128 HB1 LYS 128 7.704 -13.281 0.602 846 1HG LYS 128 HG2 LYS 128 9.436 -15.191 -0.768 847 2HG LYS 128 HG1 LYS 128 7.763 -15.276 -1.324 848 1HD LYS 128 HD2 LYS 128 7.859 -12.741 -1.521 849 2HD LYS 128 HD1 LYS 128 9.606 -12.890 -1.294 850 1HE LYS 128 HE2 LYS 128 9.846 -14.199 -3.284 851 2HE LYS 128 HE1 LYS 128 8.096 -14.437 -3.400 852 1HZ LYS 128 HZ1 LYS 128 8.039 -12.304 -4.455 853 2HZ LYS 128 HZ2 LYS 128 9.170 -11.539 -3.314 854 3HZ LYS 128 HZ3 LYS 128 8.892 -12.451 -4.817 855 H ALA 129 HN ALA 129 8.501 -16.274 3.251 856 HA ALA 129 HA ALA 129 8.969 -18.573 3.523 857 1HB ALA 129 HB1 ALA 129 8.403 -18.737 0.955 858 2HB ALA 129 HB2 ALA 129 10.221 -18.754 0.657 859 3HB ALA 129 HB3 ALA 129 8.713 -19.564 1.312
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