NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
464037 | 2kvu | 16792 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -4.989 7.458 -23.881 2 H2 MET 1 2H MET 1 -6.362 7.274 -24.866 3 H3 MET 1 3H MET 1 -6.261 6.450 -23.389 4 HA MET 1 HA MET 1 -6.275 9.394 -23.622 5 HB2 MET 1 2HB MET 1 -8.401 8.574 -24.448 6 HB3 MET 1 3HB MET 1 -8.561 7.492 -23.074 7 HG2 MET 1 2HG MET 1 -9.973 9.516 -22.927 8 HG3 MET 1 3HG MET 1 -8.862 9.323 -21.573 9 HE1 MET 1 3HE MET 1 -9.575 11.243 -24.934 10 HE2 MET 1 1HE MET 1 -7.971 10.560 -25.207 11 HE3 MET 1 2HE MET 1 -8.169 12.303 -25.036 12 H GLY 2 H GLY 2 -7.036 6.603 -21.522 13 HA2 GLY 2 2HA GLY 2 -6.412 8.230 -19.183 14 HA3 GLY 2 3HA GLY 2 -7.087 6.605 -19.177 15 H HIS 3 H HIS 3 -5.504 4.922 -20.167 16 HA HIS 3 HA HIS 3 -3.073 5.197 -18.606 17 HB2 HIS 3 2HB HIS 3 -4.496 3.089 -18.628 18 HB3 HIS 3 3HB HIS 3 -3.881 2.798 -20.253 19 HD1 HIS 3 HD1 HIS 3 -3.275 1.769 -16.954 20 HD2 HIS 3 HD2 HIS 3 -0.790 2.954 -20.079 21 HE1 HIS 3 HE1 HIS 3 -0.992 0.858 -16.399 22 HE2 HIS 3 HE2 HIS 3 0.524 1.729 -18.216 23 H HIS 4 H HIS 4 -1.978 6.754 -19.821 24 HA HIS 4 HA HIS 4 -0.850 5.742 -22.341 25 HB2 HIS 4 2HB HIS 4 -0.047 8.049 -22.740 26 HB3 HIS 4 3HB HIS 4 -1.793 7.970 -22.587 27 HD1 HIS 4 HD1 HIS 4 0.886 10.043 -21.637 28 HD2 HIS 4 HD2 HIS 4 -2.505 8.644 -19.673 29 HE1 HIS 4 HE1 HIS 4 0.502 11.629 -19.720 30 HE2 HIS 4 HE2 HIS 4 -1.686 10.897 -18.708 31 H HIS 5 H HIS 5 1.510 6.012 -22.628 32 HA HIS 5 HA HIS 5 2.782 4.909 -20.303 33 HB2 HIS 5 2HB HIS 5 3.858 5.588 -23.041 34 HB3 HIS 5 3HB HIS 5 4.837 4.875 -21.766 35 HD1 HIS 5 HD1 HIS 5 3.788 3.647 -24.653 36 HD2 HIS 5 HD2 HIS 5 2.682 2.578 -20.786 37 HE1 HIS 5 HE1 HIS 5 2.915 1.297 -24.819 38 HE2 HIS 5 HE2 HIS 5 2.115 0.722 -22.500 39 H HIS 6 H HIS 6 2.843 6.415 -18.743 40 HA HIS 6 HA HIS 6 4.749 8.612 -19.152 41 HB2 HIS 6 2HB HIS 6 2.495 9.578 -19.101 42 HB3 HIS 6 3HB HIS 6 2.149 8.741 -17.594 43 HD1 HIS 6 HD1 HIS 6 2.726 9.950 -15.473 44 HD2 HIS 6 HD2 HIS 6 4.507 11.677 -18.807 45 HE1 HIS 6 HE1 HIS 6 3.751 12.093 -14.655 46 HE2 HIS 6 HE2 HIS 6 4.775 13.157 -16.696 47 H HIS 7 H HIS 7 6.466 7.891 -18.060 48 HA HIS 7 HA HIS 7 6.379 6.197 -15.794 49 HB2 HIS 7 2HB HIS 7 8.357 6.491 -17.309 50 HB3 HIS 7 3HB HIS 7 8.597 8.092 -16.623 51 HD1 HIS 7 HD1 HIS 7 8.995 4.452 -15.858 52 HD2 HIS 7 HD2 HIS 7 9.780 8.130 -14.080 53 HE1 HIS 7 HE1 HIS 7 10.527 3.958 -13.923 54 HE2 HIS 7 HE2 HIS 7 11.128 6.215 -12.971 55 H HIS 8 H HIS 8 6.345 6.641 -13.633 56 HA HIS 8 HA HIS 8 5.210 9.045 -12.735 57 HB2 HIS 8 2HB HIS 8 5.291 6.724 -11.583 58 HB3 HIS 8 3HB HIS 8 6.853 7.239 -10.960 59 HD1 HIS 8 HD1 HIS 8 6.385 7.669 -8.533 60 HD2 HIS 8 HD2 HIS 8 3.523 9.382 -11.017 61 HE1 HIS 8 HE1 HIS 8 4.859 8.961 -7.012 62 HE2 HIS 8 HE2 HIS 8 3.133 9.999 -8.533 63 H SER 9 H SER 9 6.174 10.942 -12.964 64 HA SER 9 HA SER 9 8.892 11.315 -13.444 65 HB2 SER 9 2HB SER 9 6.902 13.358 -12.438 66 HB3 SER 9 3HB SER 9 8.417 13.699 -13.277 67 HG SER 9 HG SER 9 7.381 12.174 -14.938 68 H HIS 10 H HIS 10 7.097 12.278 -10.500 69 HA HIS 10 HA HIS 10 9.576 12.431 -9.022 70 HB2 HIS 10 2HB HIS 10 7.669 13.962 -8.538 71 HB3 HIS 10 3HB HIS 10 6.730 12.576 -7.995 72 HD1 HIS 10 HD1 HIS 10 9.536 14.820 -7.001 73 HD2 HIS 10 HD2 HIS 10 7.443 11.573 -5.461 74 HE1 HIS 10 HE1 HIS 10 10.205 14.667 -4.581 75 HE2 HIS 10 HE2 HIS 10 9.056 12.602 -3.711 76 H MET 11 H MET 11 10.460 10.379 -9.009 77 HA MET 11 HA MET 11 8.779 8.299 -7.784 78 HB2 MET 11 2HB MET 11 9.070 7.691 -10.074 79 HB3 MET 11 3HB MET 11 10.794 8.027 -10.009 80 HG2 MET 11 2HG MET 11 11.186 6.133 -8.615 81 HG3 MET 11 3HG MET 11 9.458 5.861 -8.404 82 HE1 MET 11 3HE MET 11 7.924 4.646 -10.098 83 HE2 MET 11 1HE MET 11 8.315 4.468 -11.808 84 HE3 MET 11 2HE MET 11 8.125 6.077 -11.108 85 H SER 12 H SER 12 9.429 8.174 -5.773 86 HA SER 12 HA SER 12 12.271 7.515 -5.337 87 HB2 SER 12 2HB SER 12 11.680 7.981 -2.880 88 HB3 SER 12 3HB SER 12 11.765 9.383 -3.945 89 HG SER 12 HG SER 12 9.266 8.351 -3.970 90 H THR 13 H THR 13 9.796 6.094 -6.287 91 HA THR 13 HA THR 13 9.354 4.006 -4.328 92 HB THR 13 HB THR 13 8.336 3.750 -7.107 93 HG1 THR 13 HG1 THR 13 7.837 5.992 -5.475 94 HG21 THR 13 3HG2 THR 13 7.638 2.207 -5.341 95 HG22 THR 13 1HG2 THR 13 6.267 3.139 -5.942 96 HG23 THR 13 2HG2 THR 13 7.010 3.559 -4.398 97 HA PRO 14 HA PRO 14 12.459 1.249 -6.060 98 HB2 PRO 14 2HB PRO 14 10.541 -0.900 -5.362 99 HB3 PRO 14 3HB PRO 14 12.220 -0.686 -4.857 100 HG2 PRO 14 2HG PRO 14 10.214 -0.250 -3.156 101 HG3 PRO 14 3HG PRO 14 11.660 0.779 -3.151 102 HD2 PRO 14 2HD PRO 14 8.951 1.320 -4.307 103 HD3 PRO 14 3HD PRO 14 10.035 2.409 -3.414 104 H LEU 15 H LEU 15 12.701 -0.203 -7.844 105 HA LEU 15 HA LEU 15 10.718 0.252 -9.907 106 HB2 LEU 15 2HB LEU 15 13.357 0.232 -10.086 107 HB3 LEU 15 3HB LEU 15 13.122 -1.489 -10.297 108 HG LEU 15 HG LEU 15 11.910 0.647 -12.061 109 HD11 LEU 15 1HD1 LEU 15 14.258 -1.183 -12.523 110 HD12 LEU 15 2HD1 LEU 15 14.322 0.565 -12.303 111 HD13 LEU 15 3HD1 LEU 15 13.536 -0.118 -13.727 112 HD21 LEU 15 3HD2 LEU 15 12.003 -2.351 -12.392 113 HD22 LEU 15 1HD2 LEU 15 11.348 -1.196 -13.550 114 HD23 LEU 15 2HD2 LEU 15 10.572 -1.405 -11.980 115 H THR 16 H THR 16 9.017 -0.934 -8.977 116 HA THR 16 HA THR 16 9.091 -3.781 -9.575 117 HB THR 16 HB THR 16 8.230 -2.781 -6.845 118 HG1 THR 16 HG1 THR 16 10.686 -3.563 -7.824 119 HG21 THR 16 3HG2 THR 16 7.040 -4.781 -7.574 120 HG22 THR 16 1HG2 THR 16 8.167 -5.170 -6.275 121 HG23 THR 16 2HG2 THR 16 8.571 -5.572 -7.943 122 H GLY 17 H GLY 17 6.993 -4.636 -9.946 123 HA2 GLY 17 2HA GLY 17 4.869 -2.583 -10.049 124 HA3 GLY 17 3HA GLY 17 5.086 -3.798 -11.299 125 H LYS 18 H LYS 18 5.424 -6.092 -9.921 126 HA LYS 18 HA LYS 18 3.154 -6.315 -8.090 127 HB2 LYS 18 2HB LYS 18 3.441 -7.778 -10.703 128 HB3 LYS 18 3HB LYS 18 2.491 -8.441 -9.382 129 HG2 LYS 18 2HG LYS 18 0.997 -6.572 -9.435 130 HG3 LYS 18 3HG LYS 18 2.012 -5.738 -10.612 131 HD2 LYS 18 2HD LYS 18 0.018 -6.798 -11.626 132 HD3 LYS 18 3HD LYS 18 1.536 -7.408 -12.281 133 HE2 LYS 18 2HE LYS 18 -0.007 -9.238 -11.910 134 HE3 LYS 18 3HE LYS 18 1.366 -9.370 -10.813 135 HZ1 LYS 18 3HZ LYS 18 -0.714 -9.832 -9.684 136 HZ2 LYS 18 1HZ LYS 18 -1.319 -8.302 -10.108 137 HZ3 LYS 18 2HZ LYS 18 0.002 -8.433 -9.049 138 HA PRO 19 HA PRO 19 6.405 -9.126 -6.593 139 HB2 PRO 19 2HB PRO 19 6.669 -8.100 -4.135 140 HB3 PRO 19 3HB PRO 19 7.445 -7.346 -5.532 141 HG2 PRO 19 2HG PRO 19 5.050 -6.490 -4.008 142 HG3 PRO 19 3HG PRO 19 6.246 -5.510 -4.869 143 HD2 PRO 19 2HD PRO 19 3.684 -6.288 -5.796 144 HD3 PRO 19 3HD PRO 19 4.956 -5.476 -6.726 145 H GLY 20 H GLY 20 6.351 -10.452 -4.474 146 HA2 GLY 20 2HA GLY 20 3.537 -11.121 -3.861 147 HA3 GLY 20 3HA GLY 20 4.865 -12.277 -3.843 148 H ALA 21 H ALA 21 5.369 -9.124 -2.596 149 HA ALA 21 HA ALA 21 4.749 -9.745 0.140 150 HB1 ALA 21 3HB ALA 21 7.648 -9.453 -0.665 151 HB2 ALA 21 1HB ALA 21 6.876 -10.946 -0.131 152 HB3 ALA 21 2HB ALA 21 7.031 -9.589 0.982 153 H LEU 22 H LEU 22 6.487 -7.841 1.293 154 HA LEU 22 HA LEU 22 5.886 -5.358 -0.160 155 HB2 LEU 22 2HB LEU 22 5.309 -5.955 2.739 156 HB3 LEU 22 3HB LEU 22 5.396 -4.324 2.105 157 HG LEU 22 HG LEU 22 3.431 -6.422 1.180 158 HD11 LEU 22 1HD1 LEU 22 3.050 -4.040 2.987 159 HD12 LEU 22 2HD1 LEU 22 3.033 -5.729 3.492 160 HD13 LEU 22 3HD1 LEU 22 1.780 -5.119 2.411 161 HD21 LEU 22 3HD2 LEU 22 3.631 -3.467 0.596 162 HD22 LEU 22 1HD2 LEU 22 2.340 -4.540 0.059 163 HD23 LEU 22 2HD2 LEU 22 3.983 -4.769 -0.538 164 HA PRO 23 HA PRO 23 10.031 -4.283 1.202 165 HB2 PRO 23 2HB PRO 23 9.842 -1.580 0.934 166 HB3 PRO 23 3HB PRO 23 10.097 -2.665 -0.437 167 HG2 PRO 23 2HG PRO 23 7.585 -1.350 0.502 168 HG3 PRO 23 3HG PRO 23 8.160 -1.620 -1.153 169 HD2 PRO 23 2HD PRO 23 6.264 -3.169 0.049 170 HD3 PRO 23 3HD PRO 23 7.357 -3.771 -1.212 171 H ALA 24 H ALA 24 10.923 -3.597 3.144 172 HA ALA 24 HA ALA 24 9.050 -3.369 5.322 173 HB1 ALA 24 3HB ALA 24 11.097 -4.739 5.480 174 HB2 ALA 24 1HB ALA 24 10.993 -3.530 6.760 175 HB3 ALA 24 2HB ALA 24 12.063 -3.268 5.385 176 H ASN 25 H ASN 25 9.648 -1.119 3.282 177 HA ASN 25 HA ASN 25 10.301 0.998 5.226 178 HB2 ASN 25 2HB ASN 25 11.928 0.298 3.202 179 HB3 ASN 25 3HB ASN 25 10.880 1.415 2.337 180 HD21 ASN 25 1HD2 ASN 25 11.913 1.589 5.714 181 HD22 ASN 25 2HD2 ASN 25 12.761 3.083 5.544 182 H LEU 26 H LEU 26 7.693 -0.059 4.426 183 HA LEU 26 HA LEU 26 6.407 1.400 2.427 184 HB2 LEU 26 2HB LEU 26 5.290 0.228 4.973 185 HB3 LEU 26 3HB LEU 26 4.307 0.836 3.657 186 HG LEU 26 HG LEU 26 6.249 -1.463 3.417 187 HD11 LEU 26 1HD1 LEU 26 4.394 -2.015 4.903 188 HD12 LEU 26 2HD1 LEU 26 4.255 -2.877 3.369 189 HD13 LEU 26 3HD1 LEU 26 3.243 -1.466 3.683 190 HD21 LEU 26 3HD2 LEU 26 4.132 -0.418 1.536 191 HD22 LEU 26 1HD2 LEU 26 5.117 -1.859 1.283 192 HD23 LEU 26 2HD2 LEU 26 5.877 -0.268 1.322 193 H ASP 27 H ASP 27 6.697 2.105 5.891 194 HA ASP 27 HA ASP 27 4.998 4.386 5.806 195 HB2 ASP 27 2HB ASP 27 5.348 3.133 7.872 196 HB3 ASP 27 3HB ASP 27 7.056 3.554 7.861 197 H ASP 28 H ASP 28 8.382 3.899 5.204 198 HA ASP 28 HA ASP 28 9.068 6.679 5.487 199 HB2 ASP 28 2HB ASP 28 10.554 4.219 4.693 200 HB3 ASP 28 3HB ASP 28 11.210 5.787 4.230 201 H MET 29 H MET 29 7.641 4.796 3.064 202 HA MET 29 HA MET 29 8.462 6.591 0.938 203 HB2 MET 29 2HB MET 29 6.493 4.294 0.937 204 HB3 MET 29 3HB MET 29 6.892 5.263 -0.475 205 HG2 MET 29 2HG MET 29 9.315 4.571 -0.037 206 HG3 MET 29 3HG MET 29 8.634 3.347 1.032 207 HE1 MET 29 3HE MET 29 5.891 2.688 -0.564 208 HE2 MET 29 1HE MET 29 6.911 1.459 0.183 209 HE3 MET 29 2HE MET 29 6.415 1.287 -1.501 210 H LYS 30 H LYS 30 6.549 7.439 -0.463 211 HA LYS 30 HA LYS 30 4.895 8.967 1.412 212 HB2 LYS 30 2HB LYS 30 5.899 9.577 -1.361 213 HB3 LYS 30 3HB LYS 30 4.607 10.507 -0.618 214 HG2 LYS 30 2HG LYS 30 6.172 11.793 0.250 215 HG3 LYS 30 3HG LYS 30 6.650 10.433 1.271 216 HD2 LYS 30 2HD LYS 30 7.669 10.696 -1.535 217 HD3 LYS 30 3HD LYS 30 8.430 11.557 -0.207 218 HE2 LYS 30 2HE LYS 30 8.748 9.407 0.965 219 HE3 LYS 30 3HE LYS 30 8.063 8.580 -0.434 220 HZ1 LYS 30 3HZ LYS 30 9.880 9.534 -1.779 221 HZ2 LYS 30 1HZ LYS 30 10.432 8.499 -0.556 222 HZ3 LYS 30 2HZ LYS 30 10.566 10.178 -0.366 223 H VAL 31 H VAL 31 2.839 9.840 0.198 224 HA VAL 31 HA VAL 31 1.079 7.677 0.101 225 HB VAL 31 HB VAL 31 0.663 10.489 -0.929 226 HG11 VAL 31 1HG1 VAL 31 -1.735 10.028 -0.660 227 HG12 VAL 31 2HG1 VAL 31 -1.359 8.347 -0.274 228 HG13 VAL 31 3HG1 VAL 31 -0.996 8.989 -1.878 229 HG21 VAL 31 3HG2 VAL 31 1.248 10.461 1.415 230 HG22 VAL 31 1HG2 VAL 31 0.045 9.209 1.731 231 HG23 VAL 31 2HG2 VAL 31 -0.470 10.825 1.241 232 H ALA 32 H ALA 32 2.417 9.614 -2.580 233 HA ALA 32 HA ALA 32 0.928 8.249 -4.584 234 HB1 ALA 32 3HB ALA 32 3.443 9.889 -4.882 235 HB2 ALA 32 1HB ALA 32 1.793 10.510 -4.931 236 HB3 ALA 32 2HB ALA 32 2.356 9.403 -6.183 237 H GLU 33 H GLU 33 4.064 7.767 -3.110 238 HA GLU 33 HA GLU 33 5.080 5.879 -4.946 239 HB2 GLU 33 2HB GLU 33 5.691 5.774 -2.003 240 HB3 GLU 33 3HB GLU 33 6.750 5.420 -3.360 241 HG2 GLU 33 2HG GLU 33 5.800 8.131 -2.472 242 HG3 GLU 33 3HG GLU 33 7.420 7.468 -2.293 243 H LEU 34 H LEU 34 3.235 5.547 -1.938 244 HA LEU 34 HA LEU 34 3.059 2.730 -1.937 245 HB2 LEU 34 2HB LEU 34 1.213 4.810 -0.757 246 HB3 LEU 34 3HB LEU 34 1.116 3.095 -0.417 247 HG LEU 34 HG LEU 34 3.494 4.837 0.236 248 HD11 LEU 34 1HD1 LEU 34 2.744 4.622 2.560 249 HD12 LEU 34 2HD1 LEU 34 1.293 3.784 2.008 250 HD13 LEU 34 3HD1 LEU 34 1.559 5.470 1.565 251 HD21 LEU 34 3HD2 LEU 34 2.817 1.994 0.982 252 HD22 LEU 34 1HD2 LEU 34 4.203 2.912 1.576 253 HD23 LEU 34 2HD2 LEU 34 4.080 2.509 -0.138 254 H LYS 35 H LYS 35 1.085 5.251 -3.398 255 HA LYS 35 HA LYS 35 -1.052 3.584 -4.184 256 HB2 LYS 35 2HB LYS 35 -0.111 6.276 -5.134 257 HB3 LYS 35 3HB LYS 35 -1.473 5.459 -5.891 258 HG2 LYS 35 2HG LYS 35 -2.576 5.357 -3.668 259 HG3 LYS 35 3HG LYS 35 -1.249 6.315 -3.012 260 HD2 LYS 35 2HD LYS 35 -1.794 8.160 -4.454 261 HD3 LYS 35 3HD LYS 35 -3.012 7.196 -5.295 262 HE2 LYS 35 2HE LYS 35 -4.295 7.023 -3.209 263 HE3 LYS 35 3HE LYS 35 -3.085 8.009 -2.391 264 HZ1 LYS 35 3HZ LYS 35 -3.620 9.850 -3.835 265 HZ2 LYS 35 1HZ LYS 35 -5.032 9.296 -3.075 266 HZ3 LYS 35 2HZ LYS 35 -4.736 8.904 -4.699 267 H GLN 36 H GLN 36 2.088 4.166 -5.545 268 HA GLN 36 HA GLN 36 1.631 3.269 -8.158 269 HB2 GLN 36 2HB GLN 36 4.063 3.236 -6.394 270 HB3 GLN 36 3HB GLN 36 4.102 2.521 -7.999 271 HG2 GLN 36 2HG GLN 36 3.384 5.382 -7.392 272 HG3 GLN 36 3HG GLN 36 4.960 4.824 -7.952 273 HE21 GLN 36 1HE2 GLN 36 3.807 2.826 -9.740 274 HE22 GLN 36 2HE2 GLN 36 3.168 3.697 -11.087 275 H GLU 37 H GLU 37 2.558 1.425 -5.245 276 HA GLU 37 HA GLU 37 2.462 -1.095 -6.523 277 HB2 GLU 37 2HB GLU 37 2.269 -0.250 -3.649 278 HB3 GLU 37 3HB GLU 37 2.026 -1.928 -4.111 279 HG2 GLU 37 2HG GLU 37 4.304 -1.692 -5.294 280 HG3 GLU 37 3HG GLU 37 4.502 -0.267 -4.272 281 H LEU 38 H LEU 38 0.068 0.748 -4.695 282 HA LEU 38 HA LEU 38 -1.937 -1.152 -4.530 283 HB2 LEU 38 2HB LEU 38 -2.159 1.838 -4.818 284 HB3 LEU 38 3HB LEU 38 -3.504 0.792 -4.404 285 HG LEU 38 HG LEU 38 -0.995 1.019 -2.742 286 HD11 LEU 38 1HD1 LEU 38 -3.654 2.389 -2.390 287 HD12 LEU 38 2HD1 LEU 38 -2.128 3.166 -2.809 288 HD13 LEU 38 3HD1 LEU 38 -2.326 2.403 -1.232 289 HD21 LEU 38 3HD2 LEU 38 -3.714 -0.148 -2.138 290 HD22 LEU 38 1HD2 LEU 38 -2.362 -0.032 -1.013 291 HD23 LEU 38 2HD2 LEU 38 -2.237 -1.064 -2.436 292 H LYS 39 H LYS 39 -1.589 1.359 -7.055 293 HA LYS 39 HA LYS 39 -3.889 0.518 -8.466 294 HB2 LYS 39 2HB LYS 39 -3.161 2.029 -10.232 295 HB3 LYS 39 3HB LYS 39 -2.984 2.787 -8.656 296 HG2 LYS 39 2HG LYS 39 -0.556 2.149 -8.731 297 HG3 LYS 39 3HG LYS 39 -0.817 1.665 -10.409 298 HD2 LYS 39 2HD LYS 39 -1.248 4.416 -9.244 299 HD3 LYS 39 3HD LYS 39 0.067 3.926 -10.313 300 HE2 LYS 39 2HE LYS 39 -1.570 3.432 -12.077 301 HE3 LYS 39 3HE LYS 39 -2.870 3.952 -11.003 302 HZ1 LYS 39 3HZ LYS 39 -0.641 5.665 -11.973 303 HZ2 LYS 39 1HZ LYS 39 -1.901 6.165 -10.955 304 HZ3 LYS 39 2HZ LYS 39 -2.239 5.698 -12.547 305 H LEU 40 H LEU 40 -0.592 -0.561 -8.530 306 HA LEU 40 HA LEU 40 -0.907 -1.929 -11.067 307 HB2 LEU 40 2HB LEU 40 1.365 -1.820 -9.093 308 HB3 LEU 40 3HB LEU 40 1.413 -2.756 -10.577 309 HG LEU 40 HG LEU 40 1.115 0.245 -10.406 310 HD11 LEU 40 1HD1 LEU 40 3.340 -0.518 -9.765 311 HD12 LEU 40 2HD1 LEU 40 3.374 0.302 -11.326 312 HD13 LEU 40 3HD1 LEU 40 3.454 -1.458 -11.252 313 HD21 LEU 40 3HD2 LEU 40 -0.030 -0.694 -12.346 314 HD22 LEU 40 1HD2 LEU 40 1.437 -1.559 -12.800 315 HD23 LEU 40 2HD2 LEU 40 1.409 0.204 -12.830 316 H ARG 41 H ARG 41 -0.951 -2.699 -7.645 317 HA ARG 41 HA ARG 41 -0.987 -5.566 -8.221 318 HB2 ARG 41 2HB ARG 41 -0.940 -4.108 -5.571 319 HB3 ARG 41 3HB ARG 41 -0.828 -5.850 -5.776 320 HG2 ARG 41 2HG ARG 41 1.276 -5.604 -6.958 321 HG3 ARG 41 3HG ARG 41 1.156 -3.848 -6.841 322 HD2 ARG 41 2HD ARG 41 2.648 -4.579 -5.135 323 HD3 ARG 41 3HD ARG 41 1.143 -4.101 -4.353 324 HE ARG 41 HE ARG 41 0.884 -6.793 -4.771 325 HH11 ARG 41 1HH1 ARG 41 3.243 -4.747 -3.155 326 HH12 ARG 41 2HH1 ARG 41 3.672 -5.971 -1.993 327 HH21 ARG 41 1HH2 ARG 41 1.462 -8.400 -3.247 328 HH22 ARG 41 2HH2 ARG 41 2.649 -8.026 -2.032 329 H SER 42 H SER 42 -3.239 -3.519 -8.656 330 HA SER 42 HA SER 42 -5.502 -3.621 -8.771 331 HB2 SER 42 2HB SER 42 -5.198 -6.419 -7.650 332 HB3 SER 42 3HB SER 42 -6.606 -5.775 -8.495 333 HG SER 42 HG SER 42 -5.384 -5.621 -10.370 334 H LEU 43 H LEU 43 -4.642 -2.205 -6.723 335 HA LEU 43 HA LEU 43 -6.493 -2.912 -4.546 336 HB2 LEU 43 2HB LEU 43 -3.689 -1.836 -4.385 337 HB3 LEU 43 3HB LEU 43 -4.823 -1.667 -3.059 338 HG LEU 43 HG LEU 43 -4.202 -4.374 -4.203 339 HD11 LEU 43 1HD1 LEU 43 -2.489 -4.626 -2.464 340 HD12 LEU 43 2HD1 LEU 43 -2.660 -2.919 -2.055 341 HD13 LEU 43 3HD1 LEU 43 -2.050 -3.390 -3.640 342 HD21 LEU 43 3HD2 LEU 43 -6.123 -4.162 -2.727 343 HD22 LEU 43 1HD2 LEU 43 -5.113 -3.388 -1.505 344 HD23 LEU 43 2HD2 LEU 43 -4.834 -5.075 -1.941 345 HA PRO 44 HA PRO 44 -8.185 1.114 -5.445 346 HB2 PRO 44 2HB PRO 44 -9.633 1.386 -3.137 347 HB3 PRO 44 3HB PRO 44 -10.164 0.437 -4.530 348 HG2 PRO 44 2HG PRO 44 -8.887 -0.481 -1.987 349 HG3 PRO 44 3HG PRO 44 -10.210 -1.219 -2.908 350 HD2 PRO 44 2HD PRO 44 -7.670 -2.141 -3.023 351 HD3 PRO 44 3HD PRO 44 -8.774 -2.218 -4.410 352 H VAL 45 H VAL 45 -7.286 3.052 -5.170 353 HA VAL 45 HA VAL 45 -5.357 3.414 -3.025 354 HB VAL 45 HB VAL 45 -4.636 5.409 -4.262 355 HG11 VAL 45 1HG1 VAL 45 -3.684 3.227 -4.838 356 HG12 VAL 45 2HG1 VAL 45 -3.772 4.284 -6.246 357 HG13 VAL 45 3HG1 VAL 45 -4.954 2.990 -6.039 358 HG21 VAL 45 3HG2 VAL 45 -5.601 5.928 -6.459 359 HG22 VAL 45 1HG2 VAL 45 -6.784 6.122 -5.164 360 HG23 VAL 45 2HG2 VAL 45 -6.838 4.696 -6.201 361 H SER 46 H SER 46 -8.457 3.711 -2.893 362 HA SER 46 HA SER 46 -8.879 6.460 -2.191 363 HB2 SER 46 2HB SER 46 -10.692 4.136 -1.540 364 HB3 SER 46 3HB SER 46 -11.134 5.818 -1.841 365 HG SER 46 HG SER 46 -10.489 5.532 -4.018 366 H GLY 47 H GLY 47 -8.099 7.289 -0.330 367 HA2 GLY 47 2HA GLY 47 -8.921 6.982 2.134 368 HA3 GLY 47 3HA GLY 47 -7.923 5.541 2.025 369 H THR 48 H THR 48 -6.832 6.585 3.863 370 HA THR 48 HA THR 48 -5.022 8.759 3.109 371 HB THR 48 HB THR 48 -4.406 8.710 5.553 372 HG1 THR 48 HG1 THR 48 -5.879 7.535 6.915 373 HG21 THR 48 3HG2 THR 48 -7.341 9.117 4.957 374 HG22 THR 48 1HG2 THR 48 -6.063 10.300 4.671 375 HG23 THR 48 2HG2 THR 48 -6.449 9.799 6.316 376 H LYS 49 H LYS 49 -2.743 8.514 4.014 377 HA LYS 49 HA LYS 49 -1.396 6.344 2.917 378 HB2 LYS 49 2HB LYS 49 -0.323 8.479 3.538 379 HB3 LYS 49 3HB LYS 49 -0.520 8.080 5.238 380 HG2 LYS 49 2HG LYS 49 0.950 6.142 4.947 381 HG3 LYS 49 3HG LYS 49 1.158 6.567 3.246 382 HD2 LYS 49 2HD LYS 49 2.115 8.731 3.929 383 HD3 LYS 49 3HD LYS 49 1.951 8.251 5.620 384 HE2 LYS 49 2HE LYS 49 3.431 6.337 5.203 385 HE3 LYS 49 3HE LYS 49 3.619 6.856 3.529 386 HZ1 LYS 49 3HZ LYS 49 4.600 8.922 4.332 387 HZ2 LYS 49 1HZ LYS 49 5.477 7.573 4.867 388 HZ3 LYS 49 2HZ LYS 49 4.447 8.386 5.936 389 H THR 50 H THR 50 -2.707 6.809 6.133 390 HA THR 50 HA THR 50 -1.691 4.589 7.452 391 HB THR 50 HB THR 50 -4.523 5.553 7.805 392 HG1 THR 50 HG1 THR 50 -2.569 6.840 9.288 393 HG21 THR 50 3HG2 THR 50 -4.089 5.089 10.161 394 HG22 THR 50 1HG2 THR 50 -2.429 4.630 9.778 395 HG23 THR 50 2HG2 THR 50 -3.774 3.655 9.180 396 H GLU 51 H GLU 51 -4.651 4.904 5.512 397 HA GLU 51 HA GLU 51 -5.453 2.200 5.699 398 HB2 GLU 51 2HB GLU 51 -6.111 4.461 3.842 399 HB3 GLU 51 3HB GLU 51 -6.689 2.840 3.489 400 HG2 GLU 51 2HG GLU 51 -7.232 4.338 6.038 401 HG3 GLU 51 3HG GLU 51 -8.338 4.227 4.668 402 H LEU 52 H LEU 52 -3.471 3.959 3.367 403 HA LEU 52 HA LEU 52 -3.334 2.011 1.376 404 HB2 LEU 52 2HB LEU 52 -1.103 3.902 2.114 405 HB3 LEU 52 3HB LEU 52 -1.383 3.155 0.553 406 HG LEU 52 HG LEU 52 -3.028 5.316 1.863 407 HD11 LEU 52 1HD1 LEU 52 -1.393 5.257 -0.661 408 HD12 LEU 52 2HD1 LEU 52 -0.987 6.096 0.835 409 HD13 LEU 52 3HD1 LEU 52 -2.385 6.606 -0.110 410 HD21 LEU 52 3HD2 LEU 52 -4.537 3.769 0.757 411 HD22 LEU 52 1HD2 LEU 52 -3.565 3.843 -0.709 412 HD23 LEU 52 2HD2 LEU 52 -4.426 5.275 -0.152 413 H ILE 53 H ILE 53 -1.150 2.558 4.132 414 HA ILE 53 HA ILE 53 0.634 0.460 3.533 415 HB ILE 53 HB ILE 53 -0.012 1.659 6.234 416 HG12 ILE 53 2HG1 ILE 53 2.185 2.344 4.263 417 HG13 ILE 53 3HG1 ILE 53 0.741 3.313 4.541 418 HG21 ILE 53 1HG2 ILE 53 2.225 0.853 6.876 419 HG22 ILE 53 2HG2 ILE 53 2.367 0.045 5.316 420 HG23 ILE 53 3HG2 ILE 53 1.131 -0.467 6.465 421 HD11 ILE 53 3HD1 ILE 53 1.442 3.689 6.849 422 HD12 ILE 53 1HD1 ILE 53 2.661 4.239 5.699 423 HD13 ILE 53 2HD1 ILE 53 2.888 2.719 6.568 424 H GLU 54 H GLU 54 -2.190 0.582 5.692 425 HA GLU 54 HA GLU 54 -2.011 -2.074 6.616 426 HB2 GLU 54 2HB GLU 54 -4.268 -0.098 6.445 427 HB3 GLU 54 3HB GLU 54 -4.523 -1.724 7.062 428 HG2 GLU 54 2HG GLU 54 -2.458 0.150 8.179 429 HG3 GLU 54 3HG GLU 54 -4.112 0.054 8.785 430 H ARG 55 H ARG 55 -3.618 -0.638 3.839 431 HA ARG 55 HA ARG 55 -5.073 -2.937 3.069 432 HB2 ARG 55 2HB ARG 55 -5.406 -0.489 2.378 433 HB3 ARG 55 3HB ARG 55 -4.124 -0.766 1.212 434 HG2 ARG 55 2HG ARG 55 -5.406 -2.269 -0.023 435 HG3 ARG 55 3HG ARG 55 -6.547 -2.518 1.303 436 HD2 ARG 55 2HD ARG 55 -6.189 0.012 -0.302 437 HD3 ARG 55 3HD ARG 55 -7.539 -1.116 -0.419 438 HE ARG 55 HE ARG 55 -7.522 -0.396 2.210 439 HH11 ARG 55 1HH1 ARG 55 -7.578 1.420 -0.792 440 HH12 ARG 55 2HH1 ARG 55 -8.500 2.731 -0.118 441 HH21 ARG 55 1HH2 ARG 55 -8.728 1.345 3.083 442 HH22 ARG 55 2HH2 ARG 55 -9.180 2.670 2.053 443 H LEU 56 H LEU 56 -1.910 -1.642 2.149 444 HA LEU 56 HA LEU 56 -1.198 -3.652 0.317 445 HB2 LEU 56 2HB LEU 56 0.443 -1.897 2.132 446 HB3 LEU 56 3HB LEU 56 1.178 -3.051 1.036 447 HG LEU 56 HG LEU 56 -0.628 -0.798 0.157 448 HD11 LEU 56 1HD1 LEU 56 1.416 0.291 -0.624 449 HD12 LEU 56 2HD1 LEU 56 2.381 -0.995 0.100 450 HD13 LEU 56 3HD1 LEU 56 1.432 0.080 1.127 451 HD21 LEU 56 3HD2 LEU 56 -0.583 -2.717 -1.358 452 HD22 LEU 56 1HD2 LEU 56 1.177 -2.653 -1.394 453 HD23 LEU 56 2HD2 LEU 56 0.234 -1.323 -2.066 454 H ARG 57 H ARG 57 -0.810 -3.402 3.821 455 HA ARG 57 HA ARG 57 0.609 -5.773 4.251 456 HB2 ARG 57 2HB ARG 57 -1.305 -4.250 6.009 457 HB3 ARG 57 3HB ARG 57 -0.451 -5.683 6.564 458 HG2 ARG 57 2HG ARG 57 1.686 -4.578 6.159 459 HG3 ARG 57 3HG ARG 57 0.834 -3.143 5.579 460 HD2 ARG 57 2HD ARG 57 -0.176 -2.812 7.747 461 HD3 ARG 57 3HD ARG 57 0.523 -4.317 8.340 462 HE ARG 57 HE ARG 57 2.739 -3.037 7.725 463 HH11 ARG 57 1HH1 ARG 57 -0.156 -1.755 9.251 464 HH12 ARG 57 2HH1 ARG 57 0.720 -0.579 10.197 465 HH21 ARG 57 1HH2 ARG 57 3.877 -1.483 8.949 466 HH22 ARG 57 2HH2 ARG 57 3.006 -0.404 10.003 467 H ALA 58 H ALA 58 -2.885 -5.194 4.108 468 HA ALA 58 HA ALA 58 -3.662 -7.821 4.801 469 HB1 ALA 58 3HB ALA 58 -5.179 -5.804 3.152 470 HB2 ALA 58 1HB ALA 58 -5.167 -5.884 4.914 471 HB3 ALA 58 2HB ALA 58 -5.856 -7.209 3.979 472 H TYR 59 H TYR 59 -2.972 -6.286 1.698 473 HA TYR 59 HA TYR 59 -3.815 -8.513 0.115 474 HB2 TYR 59 2HB TYR 59 -3.616 -6.094 -0.642 475 HB3 TYR 59 3HB TYR 59 -1.875 -6.344 -0.700 476 HD1 TYR 59 HD2 TYR 59 -5.096 -7.443 -2.145 477 HD2 TYR 59 HD1 TYR 59 -0.862 -7.434 -2.553 478 HE1 TYR 59 HE2 TYR 59 -5.321 -8.327 -4.427 479 HE2 TYR 59 HE1 TYR 59 -1.076 -8.316 -4.838 480 HH TYR 59 HH TYR 59 -3.868 -8.251 -6.575 481 H GLN 60 H GLN 60 -0.973 -7.680 1.836 482 HA GLN 60 HA GLN 60 0.729 -9.624 0.520 483 HB2 GLN 60 2HB GLN 60 1.380 -7.363 1.641 484 HB3 GLN 60 3HB GLN 60 1.276 -8.253 3.146 485 HG2 GLN 60 2HG GLN 60 3.073 -9.026 0.863 486 HG3 GLN 60 3HG GLN 60 3.567 -8.000 2.204 487 HE21 GLN 60 1HE2 GLN 60 3.550 -8.915 4.331 488 HE22 GLN 60 2HE2 GLN 60 3.781 -10.617 4.543 489 H ASP 61 H ASP 61 -1.166 -9.260 3.445 490 HA ASP 61 HA ASP 61 -0.163 -11.418 4.912 491 HB2 ASP 61 2HB ASP 61 -1.596 -9.538 5.776 492 HB3 ASP 61 3HB ASP 61 -2.984 -10.355 5.061 493 H GLN 62 H GLN 62 -2.675 -11.292 2.456 494 HA GLN 62 HA GLN 62 -3.713 -13.893 2.887 495 HB2 GLN 62 2HB GLN 62 -4.522 -13.669 0.498 496 HB3 GLN 62 3HB GLN 62 -5.041 -12.405 1.606 497 HG2 GLN 62 2HG GLN 62 -3.329 -10.921 0.746 498 HG3 GLN 62 3HG GLN 62 -2.754 -12.190 -0.333 499 HE21 GLN 62 1HE2 GLN 62 -5.333 -9.941 0.329 500 HE22 GLN 62 2HE2 GLN 62 -6.063 -10.019 -1.236 501 H ILE 63 H ILE 63 -0.744 -12.851 1.704 502 HA ILE 63 HA ILE 63 -0.225 -15.346 0.251 503 HB ILE 63 HB ILE 63 1.643 -12.994 0.614 504 HG12 ILE 63 2HG1 ILE 63 -0.198 -13.543 -1.727 505 HG13 ILE 63 3HG1 ILE 63 -0.494 -12.325 -0.491 506 HG21 ILE 63 1HG2 ILE 63 2.711 -15.092 -0.042 507 HG22 ILE 63 2HG2 ILE 63 2.777 -13.907 -1.347 508 HG23 ILE 63 3HG2 ILE 63 1.611 -15.228 -1.413 509 HD11 ILE 63 3HD1 ILE 63 1.846 -12.378 -2.381 510 HD12 ILE 63 1HD1 ILE 63 1.535 -11.155 -1.150 511 HD13 ILE 63 2HD1 ILE 63 0.427 -11.338 -2.509 512 H SER 64 H SER 64 0.189 -13.850 3.281 513 HA SER 64 HA SER 64 2.551 -15.411 3.977 514 HB2 SER 64 2HB SER 64 1.093 -13.255 5.519 515 HB3 SER 64 3HB SER 64 2.605 -14.019 6.007 516 HG SER 64 HG SER 64 2.270 -12.642 3.544 517 HA PRO 65 HA PRO 65 0.032 -18.324 6.243 518 HB2 PRO 65 2HB PRO 65 2.373 -19.456 7.433 519 HB3 PRO 65 3HB PRO 65 1.461 -20.060 6.051 520 HG2 PRO 65 2HG PRO 65 4.040 -19.069 5.940 521 HG3 PRO 65 3HG PRO 65 2.937 -19.196 4.559 522 HD2 PRO 65 2HD PRO 65 3.629 -16.819 6.224 523 HD3 PRO 65 3HD PRO 65 3.307 -16.928 4.481 524 H VAL 66 H VAL 66 0.827 -15.665 7.470 525 HA VAL 66 HA VAL 66 1.380 -16.335 10.230 526 HB VAL 66 HB VAL 66 1.203 -13.870 10.622 527 HG11 VAL 66 1HG1 VAL 66 3.349 -14.918 10.168 528 HG12 VAL 66 2HG1 VAL 66 3.281 -13.311 9.442 529 HG13 VAL 66 3HG1 VAL 66 3.086 -14.744 8.433 530 HG21 VAL 66 3HG2 VAL 66 1.111 -12.366 8.708 531 HG22 VAL 66 1HG2 VAL 66 -0.355 -13.342 8.804 532 HG23 VAL 66 2HG2 VAL 66 0.894 -13.739 7.622 533 HA PRO 67 HA PRO 67 -2.967 -16.507 11.120 534 HB2 PRO 67 2HB PRO 67 -2.763 -17.773 13.444 535 HB3 PRO 67 3HB PRO 67 -2.268 -18.562 11.941 536 HG2 PRO 67 2HG PRO 67 -0.590 -17.359 14.093 537 HG3 PRO 67 3HG PRO 67 -0.275 -18.782 13.086 538 HD2 PRO 67 2HD PRO 67 0.715 -16.163 12.679 539 HD3 PRO 67 3HD PRO 67 0.818 -17.525 11.546 540 H GLY 68 H GLY 68 -0.783 -14.423 12.631 541 HA2 GLY 68 2HA GLY 68 -2.650 -13.710 14.786 542 HA3 GLY 68 3HA GLY 68 -0.959 -13.242 14.693 543 H ALA 69 H ALA 69 -2.512 -12.840 11.724 544 HA ALA 69 HA ALA 69 -2.991 -9.996 12.317 545 HB1 ALA 69 3HB ALA 69 -0.884 -10.274 11.109 546 HB2 ALA 69 1HB ALA 69 -2.079 -9.430 10.125 547 HB3 ALA 69 2HB ALA 69 -1.729 -11.132 9.821 548 HA PRO 70 HA PRO 70 -6.928 -10.455 10.321 549 HB2 PRO 70 2HB PRO 70 -6.632 -7.844 9.022 550 HB3 PRO 70 3HB PRO 70 -7.745 -8.336 10.300 551 HG2 PRO 70 2HG PRO 70 -5.691 -6.647 10.751 552 HG3 PRO 70 3HG PRO 70 -6.283 -7.783 11.978 553 HD2 PRO 70 2HD PRO 70 -3.874 -7.998 10.206 554 HD3 PRO 70 3HD PRO 70 -4.052 -8.416 11.924 555 H LYS 71 H LYS 71 -7.082 -11.846 8.662 556 HA LYS 71 HA LYS 71 -5.469 -11.408 6.269 557 HB2 LYS 71 2HB LYS 71 -7.241 -13.785 6.806 558 HB3 LYS 71 3HB LYS 71 -5.842 -13.687 5.747 559 HG2 LYS 71 2HG LYS 71 -4.470 -13.291 7.850 560 HG3 LYS 71 3HG LYS 71 -5.902 -13.792 8.747 561 HD2 LYS 71 2HD LYS 71 -4.557 -15.723 8.517 562 HD3 LYS 71 3HD LYS 71 -5.873 -15.904 7.354 563 HE2 LYS 71 2HE LYS 71 -3.762 -16.545 6.341 564 HE3 LYS 71 3HE LYS 71 -4.391 -15.090 5.571 565 HZ1 LYS 71 3HZ LYS 71 -2.308 -15.110 7.689 566 HZ2 LYS 71 1HZ LYS 71 -2.862 -13.751 6.834 567 HZ3 LYS 71 2HZ LYS 71 -1.996 -14.969 6.030 568 H ALA 72 H ALA 72 -6.327 -11.152 4.234 569 HA ALA 72 HA ALA 72 -9.235 -11.042 3.958 570 HB1 ALA 72 3HB ALA 72 -7.417 -8.760 3.183 571 HB2 ALA 72 1HB ALA 72 -8.555 -8.763 4.532 572 HB3 ALA 72 2HB ALA 72 -9.152 -8.857 2.874 573 HA PRO 73 HA PRO 73 -8.037 -12.928 0.091 574 HB2 PRO 73 2HB PRO 73 -10.500 -13.316 -0.893 575 HB3 PRO 73 3HB PRO 73 -9.894 -14.261 0.473 576 HG2 PRO 73 2HG PRO 73 -11.730 -11.897 0.469 577 HG3 PRO 73 3HG PRO 73 -11.838 -13.397 1.408 578 HD2 PRO 73 2HD PRO 73 -10.841 -11.041 2.394 579 HD3 PRO 73 3HD PRO 73 -10.380 -12.643 3.003 580 H ALA 74 H ALA 74 -9.374 -12.606 -2.262 581 HA ALA 74 HA ALA 74 -8.592 -9.950 -3.047 582 HB1 ALA 74 3HB ALA 74 -9.159 -10.667 -5.303 583 HB2 ALA 74 1HB ALA 74 -9.919 -12.128 -4.664 584 HB3 ALA 74 2HB ALA 74 -8.179 -11.890 -4.494 585 H ALA 75 H ALA 75 -10.061 -8.603 -4.413 586 HA ALA 75 HA ALA 75 -12.852 -8.747 -3.499 587 HB1 ALA 75 3HB ALA 75 -11.169 -6.250 -3.672 588 HB2 ALA 75 1HB ALA 75 -11.687 -7.049 -2.189 589 HB3 ALA 75 2HB ALA 75 -12.882 -6.314 -3.258 Start of MODEL 2 1 H1 MET 1 1H MET 1 19.071 -24.932 -24.033 2 H2 MET 1 2H MET 1 20.412 -25.946 -24.201 3 H3 MET 1 3H MET 1 19.435 -25.600 -25.545 4 HA MET 1 HA MET 1 21.084 -23.646 -24.050 5 HB2 MET 1 2HB MET 1 22.463 -23.566 -26.088 6 HB3 MET 1 3HB MET 1 22.471 -25.165 -25.357 7 HG2 MET 1 2HG MET 1 20.832 -25.918 -27.018 8 HG3 MET 1 3HG MET 1 20.866 -24.319 -27.759 9 HE1 MET 1 3HE MET 1 22.742 -26.688 -30.307 10 HE2 MET 1 1HE MET 1 21.383 -25.583 -30.095 11 HE3 MET 1 2HE MET 1 21.403 -27.131 -29.249 12 H GLY 2 H GLY 2 21.482 -21.785 -25.883 13 HA2 GLY 2 2HA GLY 2 20.483 -20.149 -27.198 14 HA3 GLY 2 3HA GLY 2 19.011 -21.111 -27.236 15 H HIS 3 H HIS 3 17.576 -21.020 -25.470 16 HA HIS 3 HA HIS 3 17.953 -19.306 -23.234 17 HB2 HIS 3 2HB HIS 3 17.583 -17.683 -25.203 18 HB3 HIS 3 3HB HIS 3 15.935 -18.293 -25.245 19 HD1 HIS 3 HD1 HIS 3 18.177 -15.988 -23.414 20 HD2 HIS 3 HD2 HIS 3 14.350 -17.565 -22.965 21 HE1 HIS 3 HE1 HIS 3 17.054 -14.562 -21.674 22 HE2 HIS 3 HE2 HIS 3 14.769 -15.572 -21.363 23 H HIS 4 H HIS 4 16.304 -19.690 -21.703 24 HA HIS 4 HA HIS 4 14.630 -21.963 -22.302 25 HB2 HIS 4 2HB HIS 4 15.698 -21.815 -20.117 26 HB3 HIS 4 3HB HIS 4 14.874 -20.293 -19.790 27 HD1 HIS 4 HD1 HIS 4 14.068 -23.960 -20.349 28 HD2 HIS 4 HD2 HIS 4 12.424 -20.552 -18.626 29 HE1 HIS 4 HE1 HIS 4 11.986 -24.731 -19.169 30 HE2 HIS 4 HE2 HIS 4 10.912 -22.623 -18.300 31 H HIS 5 H HIS 5 12.707 -21.828 -23.193 32 HA HIS 5 HA HIS 5 10.928 -19.619 -22.487 33 HB2 HIS 5 2HB HIS 5 10.365 -19.226 -24.883 34 HB3 HIS 5 3HB HIS 5 12.009 -18.758 -24.468 35 HD1 HIS 5 HD1 HIS 5 10.088 -21.396 -26.375 36 HD2 HIS 5 HD2 HIS 5 14.000 -20.091 -25.844 37 HE1 HIS 5 HE1 HIS 5 11.446 -22.591 -28.118 38 HE2 HIS 5 HE2 HIS 5 13.833 -21.932 -27.644 39 H HIS 6 H HIS 6 8.815 -20.181 -22.451 40 HA HIS 6 HA HIS 6 8.033 -22.641 -23.861 41 HB2 HIS 6 2HB HIS 6 6.419 -23.169 -22.085 42 HB3 HIS 6 3HB HIS 6 8.058 -23.146 -21.459 43 HD1 HIS 6 HD1 HIS 6 8.177 -22.123 -19.231 44 HD2 HIS 6 HD2 HIS 6 5.151 -20.423 -21.526 45 HE1 HIS 6 HE1 HIS 6 7.091 -20.398 -17.755 46 HE2 HIS 6 HE2 HIS 6 5.359 -19.283 -19.212 47 H HIS 7 H HIS 7 5.794 -22.617 -24.629 48 HA HIS 7 HA HIS 7 5.222 -20.210 -25.925 49 HB2 HIS 7 2HB HIS 7 3.092 -21.236 -26.620 50 HB3 HIS 7 3HB HIS 7 4.457 -22.312 -26.859 51 HD1 HIS 7 HD1 HIS 7 4.124 -24.627 -26.064 52 HD2 HIS 7 HD2 HIS 7 1.547 -21.963 -24.175 53 HE1 HIS 7 HE1 HIS 7 2.610 -26.042 -24.638 54 HE2 HIS 7 HE2 HIS 7 1.119 -24.406 -23.425 55 H HIS 8 H HIS 8 4.034 -18.478 -25.481 56 HA HIS 8 HA HIS 8 1.977 -18.423 -23.515 57 HB2 HIS 8 2HB HIS 8 3.000 -16.971 -21.869 58 HB3 HIS 8 3HB HIS 8 3.974 -18.427 -22.021 59 HD1 HIS 8 HD1 HIS 8 6.264 -18.140 -23.394 60 HD2 HIS 8 HD2 HIS 8 4.343 -14.619 -22.287 61 HE1 HIS 8 HE1 HIS 8 7.992 -16.327 -23.608 62 HE2 HIS 8 HE2 HIS 8 6.846 -14.224 -22.825 63 H SER 9 H SER 9 0.798 -16.493 -23.596 64 HA SER 9 HA SER 9 0.982 -14.997 -25.979 65 HB2 SER 9 2HB SER 9 -0.523 -14.301 -23.443 66 HB3 SER 9 3HB SER 9 -0.864 -13.709 -25.071 67 HG SER 9 HG SER 9 -1.128 -16.033 -25.602 68 H HIS 10 H HIS 10 2.332 -13.387 -26.449 69 HA HIS 10 HA HIS 10 4.037 -12.254 -24.449 70 HB2 HIS 10 2HB HIS 10 4.790 -12.617 -26.786 71 HB3 HIS 10 3HB HIS 10 3.664 -11.375 -27.323 72 HD1 HIS 10 HD1 HIS 10 4.613 -9.102 -27.509 73 HD2 HIS 10 HD2 HIS 10 6.785 -11.478 -24.870 74 HE1 HIS 10 HE1 HIS 10 6.566 -7.698 -26.775 75 HE2 HIS 10 HE2 HIS 10 7.790 -9.099 -25.078 76 H MET 11 H MET 11 2.529 -11.365 -23.003 77 HA MET 11 HA MET 11 1.642 -8.672 -23.773 78 HB2 MET 11 2HB MET 11 -0.016 -10.667 -22.209 79 HB3 MET 11 3HB MET 11 -0.440 -8.981 -22.464 80 HG2 MET 11 2HG MET 11 -0.621 -9.365 -24.852 81 HG3 MET 11 3HG MET 11 -0.131 -11.044 -24.632 82 HE1 MET 11 3HE MET 11 -2.539 -8.813 -22.444 83 HE2 MET 11 1HE MET 11 -4.111 -9.269 -23.102 84 HE3 MET 11 2HE MET 11 -2.963 -8.377 -24.099 85 H SER 12 H SER 12 1.735 -10.880 -20.986 86 HA SER 12 HA SER 12 2.376 -8.764 -19.172 87 HB2 SER 12 2HB SER 12 2.440 -11.764 -18.746 88 HB3 SER 12 3HB SER 12 2.444 -10.535 -17.483 89 HG SER 12 HG SER 12 0.370 -9.852 -18.356 90 H THR 13 H THR 13 4.327 -7.850 -19.632 91 HA THR 13 HA THR 13 6.682 -9.605 -19.580 92 HB THR 13 HB THR 13 6.483 -6.698 -20.399 93 HG1 THR 13 HG1 THR 13 5.789 -7.597 -22.186 94 HG21 THR 13 3HG2 THR 13 8.805 -8.615 -20.615 95 HG22 THR 13 1HG2 THR 13 8.682 -7.281 -19.468 96 HG23 THR 13 2HG2 THR 13 8.769 -6.951 -21.199 97 HA PRO 14 HA PRO 14 7.340 -8.141 -15.406 98 HB2 PRO 14 2HB PRO 14 9.976 -9.388 -15.651 99 HB3 PRO 14 3HB PRO 14 8.642 -9.801 -14.573 100 HG2 PRO 14 2HG PRO 14 9.378 -11.388 -16.633 101 HG3 PRO 14 3HG PRO 14 7.700 -11.262 -16.075 102 HD2 PRO 14 2HD PRO 14 9.009 -9.976 -18.439 103 HD3 PRO 14 3HD PRO 14 7.394 -10.703 -18.299 104 H LEU 15 H LEU 15 7.531 -5.946 -15.836 105 HA LEU 15 HA LEU 15 9.977 -4.831 -16.903 106 HB2 LEU 15 2HB LEU 15 7.458 -3.931 -16.892 107 HB3 LEU 15 3HB LEU 15 7.982 -3.196 -15.391 108 HG LEU 15 HG LEU 15 8.121 -1.668 -17.325 109 HD11 LEU 15 1HD1 LEU 15 10.797 -2.367 -16.131 110 HD12 LEU 15 2HD1 LEU 15 9.583 -1.306 -15.414 111 HD13 LEU 15 3HD1 LEU 15 10.380 -0.845 -16.918 112 HD21 LEU 15 3HD2 LEU 15 10.207 -3.602 -18.325 113 HD22 LEU 15 1HD2 LEU 15 9.862 -2.018 -19.016 114 HD23 LEU 15 2HD2 LEU 15 8.637 -3.284 -19.058 115 H THR 16 H THR 16 8.401 -5.310 -13.825 116 HA THR 16 HA THR 16 10.992 -5.144 -12.502 117 HB THR 16 HB THR 16 8.550 -3.782 -11.343 118 HG1 THR 16 HG1 THR 16 10.422 -2.898 -13.146 119 HG21 THR 16 3HG2 THR 16 10.164 -2.848 -9.745 120 HG22 THR 16 1HG2 THR 16 11.457 -3.763 -10.517 121 HG23 THR 16 2HG2 THR 16 10.154 -4.610 -9.686 122 H GLY 17 H GLY 17 11.074 -7.285 -12.075 123 HA2 GLY 17 2HA GLY 17 8.823 -8.838 -11.287 124 HA3 GLY 17 3HA GLY 17 10.506 -9.341 -11.221 125 H LYS 18 H LYS 18 8.005 -7.542 -9.526 126 HA LYS 18 HA LYS 18 9.513 -7.558 -7.048 127 HB2 LYS 18 2HB LYS 18 6.678 -6.657 -7.619 128 HB3 LYS 18 3HB LYS 18 7.538 -6.426 -6.103 129 HG2 LYS 18 2HG LYS 18 9.147 -4.988 -7.200 130 HG3 LYS 18 3HG LYS 18 8.358 -5.257 -8.753 131 HD2 LYS 18 2HD LYS 18 7.110 -3.951 -6.338 132 HD3 LYS 18 3HD LYS 18 7.702 -3.115 -7.773 133 HE2 LYS 18 2HE LYS 18 6.063 -4.280 -9.147 134 HE3 LYS 18 3HE LYS 18 5.491 -5.168 -7.738 135 HZ1 LYS 18 3HZ LYS 18 5.292 -2.240 -8.196 136 HZ2 LYS 18 1HZ LYS 18 4.869 -3.008 -6.741 137 HZ3 LYS 18 2HZ LYS 18 4.020 -3.362 -8.168 138 HA PRO 19 HA PRO 19 7.828 -11.555 -5.957 139 HB2 PRO 19 2HB PRO 19 8.798 -11.607 -3.415 140 HB3 PRO 19 3HB PRO 19 9.791 -11.955 -4.835 141 HG2 PRO 19 2HG PRO 19 9.568 -9.426 -3.248 142 HG3 PRO 19 3HG PRO 19 11.015 -10.209 -3.910 143 HD2 PRO 19 2HD PRO 19 9.834 -8.085 -5.099 144 HD3 PRO 19 3HD PRO 19 10.664 -9.356 -6.020 145 H GLY 20 H GLY 20 6.564 -12.421 -3.996 146 HA2 GLY 20 2HA GLY 20 4.369 -10.596 -3.509 147 HA3 GLY 20 3HA GLY 20 4.458 -12.284 -3.030 148 H ALA 21 H ALA 21 6.388 -9.393 -2.327 149 HA ALA 21 HA ALA 21 5.803 -9.672 0.515 150 HB1 ALA 21 3HB ALA 21 7.793 -11.041 0.193 151 HB2 ALA 21 1HB ALA 21 8.180 -9.589 1.116 152 HB3 ALA 21 2HB ALA 21 8.611 -9.690 -0.592 153 H LEU 22 H LEU 22 6.714 -7.803 1.740 154 HA LEU 22 HA LEU 22 6.725 -5.382 0.051 155 HB2 LEU 22 2HB LEU 22 5.508 -5.765 2.787 156 HB3 LEU 22 3HB LEU 22 5.626 -4.228 1.953 157 HG LEU 22 HG LEU 22 4.053 -6.606 0.964 158 HD11 LEU 22 1HD1 LEU 22 3.177 -4.064 2.321 159 HD12 LEU 22 2HD1 LEU 22 3.073 -5.699 2.976 160 HD13 LEU 22 3HD1 LEU 22 2.098 -5.245 1.578 161 HD21 LEU 22 3HD2 LEU 22 3.116 -5.003 -0.631 162 HD22 LEU 22 1HD2 LEU 22 4.861 -5.165 -0.835 163 HD23 LEU 22 2HD2 LEU 22 4.196 -3.754 -0.013 164 HA PRO 23 HA PRO 23 10.443 -4.324 2.291 165 HB2 PRO 23 2HB PRO 23 10.599 -1.711 1.665 166 HB3 PRO 23 3HB PRO 23 10.914 -2.974 0.469 167 HG2 PRO 23 2HG PRO 23 8.451 -1.332 0.885 168 HG3 PRO 23 3HG PRO 23 9.241 -1.801 -0.631 169 HD2 PRO 23 2HD PRO 23 7.039 -3.072 0.398 170 HD3 PRO 23 3HD PRO 23 8.225 -3.854 -0.664 171 H ALA 24 H ALA 24 11.043 -3.280 4.208 172 HA ALA 24 HA ALA 24 8.838 -2.593 5.947 173 HB1 ALA 24 3HB ALA 24 11.804 -2.615 6.490 174 HB2 ALA 24 1HB ALA 24 10.694 -3.957 6.759 175 HB3 ALA 24 2HB ALA 24 10.529 -2.477 7.700 176 H ASN 25 H ASN 25 9.976 -0.844 3.643 177 HA ASN 25 HA ASN 25 10.420 1.625 5.168 178 HB2 ASN 25 2HB ASN 25 10.988 0.953 2.275 179 HB3 ASN 25 3HB ASN 25 11.232 2.544 2.988 180 HD21 ASN 25 1HD2 ASN 25 12.948 2.873 4.385 181 HD22 ASN 25 2HD2 ASN 25 14.229 1.728 4.569 182 H LEU 26 H LEU 26 7.829 0.139 4.359 183 HA LEU 26 HA LEU 26 6.385 1.667 2.521 184 HB2 LEU 26 2HB LEU 26 5.421 0.177 4.961 185 HB3 LEU 26 3HB LEU 26 4.358 0.845 3.738 186 HG LEU 26 HG LEU 26 6.416 -1.315 3.284 187 HD11 LEU 26 1HD1 LEU 26 4.540 -2.100 4.605 188 HD12 LEU 26 2HD1 LEU 26 4.463 -2.764 2.972 189 HD13 LEU 26 3HD1 LEU 26 3.408 -1.427 3.432 190 HD21 LEU 26 3HD2 LEU 26 6.097 0.075 1.305 191 HD22 LEU 26 1HD2 LEU 26 4.350 -0.140 1.424 192 HD23 LEU 26 2HD2 LEU 26 5.390 -1.524 1.073 193 H ASP 27 H ASP 27 7.000 2.174 5.934 194 HA ASP 27 HA ASP 27 5.192 4.292 6.349 195 HB2 ASP 27 2HB ASP 27 7.748 3.519 7.748 196 HB3 ASP 27 3HB ASP 27 6.758 4.875 8.269 197 H ASP 28 H ASP 28 8.353 4.173 4.899 198 HA ASP 28 HA ASP 28 8.711 7.054 5.014 199 HB2 ASP 28 2HB ASP 28 10.670 5.552 5.209 200 HB3 ASP 28 3HB ASP 28 10.359 4.956 3.582 201 H MET 29 H MET 29 7.676 4.595 2.782 202 HA MET 29 HA MET 29 7.790 6.084 0.400 203 HB2 MET 29 2HB MET 29 5.971 3.807 1.205 204 HB3 MET 29 3HB MET 29 6.074 4.460 -0.426 205 HG2 MET 29 2HG MET 29 8.407 3.825 -0.566 206 HG3 MET 29 3HG MET 29 8.364 3.232 1.093 207 HE1 MET 29 3HE MET 29 6.021 1.293 -2.388 208 HE2 MET 29 1HE MET 29 7.051 2.714 -2.571 209 HE3 MET 29 2HE MET 29 5.550 2.823 -1.652 210 H LYS 30 H LYS 30 6.328 7.327 -0.645 211 HA LYS 30 HA LYS 30 4.609 8.835 1.121 212 HB2 LYS 30 2HB LYS 30 5.446 9.232 -1.757 213 HB3 LYS 30 3HB LYS 30 4.344 10.311 -0.914 214 HG2 LYS 30 2HG LYS 30 6.503 11.294 -0.845 215 HG3 LYS 30 3HG LYS 30 6.131 10.701 0.773 216 HD2 LYS 30 2HD LYS 30 7.450 8.641 0.218 217 HD3 LYS 30 3HD LYS 30 7.962 9.455 -1.263 218 HE2 LYS 30 2HE LYS 30 9.167 11.066 -0.109 219 HE3 LYS 30 3HE LYS 30 8.283 10.782 1.389 220 HZ1 LYS 30 3HZ LYS 30 9.381 8.620 1.565 221 HZ2 LYS 30 1HZ LYS 30 10.506 9.886 1.543 222 HZ3 LYS 30 2HZ LYS 30 10.264 8.939 0.157 223 H VAL 31 H VAL 31 2.465 9.616 0.157 224 HA VAL 31 HA VAL 31 0.698 7.483 -0.141 225 HB VAL 31 HB VAL 31 0.293 10.331 -1.090 226 HG11 VAL 31 1HG1 VAL 31 -2.091 9.868 -0.819 227 HG12 VAL 31 2HG1 VAL 31 -1.723 8.200 -0.381 228 HG13 VAL 31 3HG1 VAL 31 -1.362 8.787 -2.005 229 HG21 VAL 31 3HG2 VAL 31 -0.755 10.705 1.093 230 HG22 VAL 31 1HG2 VAL 31 0.941 10.249 1.259 231 HG23 VAL 31 2HG2 VAL 31 -0.327 9.063 1.578 232 H ALA 32 H ALA 32 2.241 9.544 -2.562 233 HA ALA 32 HA ALA 32 1.034 8.445 -4.848 234 HB1 ALA 32 3HB ALA 32 3.785 9.656 -4.593 235 HB2 ALA 32 1HB ALA 32 2.290 10.551 -4.863 236 HB3 ALA 32 2HB ALA 32 2.882 9.429 -6.090 237 H GLU 33 H GLU 33 4.014 7.574 -3.120 238 HA GLU 33 HA GLU 33 4.863 5.552 -4.884 239 HB2 GLU 33 2HB GLU 33 5.348 5.836 -1.913 240 HB3 GLU 33 3HB GLU 33 6.222 4.744 -2.977 241 HG2 GLU 33 2HG GLU 33 6.187 7.743 -3.194 242 HG3 GLU 33 3HG GLU 33 7.489 6.773 -2.507 243 H LEU 34 H LEU 34 2.756 5.477 -2.055 244 HA LEU 34 HA LEU 34 2.439 2.677 -1.937 245 HB2 LEU 34 2HB LEU 34 0.543 4.845 -1.036 246 HB3 LEU 34 3HB LEU 34 0.454 3.159 -0.566 247 HG LEU 34 HG LEU 34 2.736 5.017 0.100 248 HD11 LEU 34 1HD1 LEU 34 1.859 4.912 2.388 249 HD12 LEU 34 2HD1 LEU 34 0.469 3.996 1.804 250 HD13 LEU 34 3HD1 LEU 34 0.716 5.659 1.273 251 HD21 LEU 34 3HD2 LEU 34 3.462 3.224 1.589 252 HD22 LEU 34 1HD2 LEU 34 3.421 2.678 -0.087 253 HD23 LEU 34 2HD2 LEU 34 2.136 2.208 1.026 254 H LYS 35 H LYS 35 0.645 5.226 -3.601 255 HA LYS 35 HA LYS 35 -1.474 3.659 -4.544 256 HB2 LYS 35 2HB LYS 35 -0.206 6.146 -5.678 257 HB3 LYS 35 3HB LYS 35 -1.648 5.406 -6.358 258 HG2 LYS 35 2HG LYS 35 -2.786 5.702 -4.192 259 HG3 LYS 35 3HG LYS 35 -1.351 6.530 -3.582 260 HD2 LYS 35 2HD LYS 35 -1.587 8.231 -5.321 261 HD3 LYS 35 3HD LYS 35 -3.008 7.394 -5.950 262 HE2 LYS 35 2HE LYS 35 -4.144 7.748 -3.792 263 HE3 LYS 35 3HE LYS 35 -2.734 8.635 -3.213 264 HZ1 LYS 35 3HZ LYS 35 -3.073 10.254 -4.980 265 HZ2 LYS 35 1HZ LYS 35 -4.452 10.130 -3.995 266 HZ3 LYS 35 2HZ LYS 35 -4.439 9.397 -5.523 267 H GLN 36 H GLN 36 1.779 4.126 -5.762 268 HA GLN 36 HA GLN 36 1.437 3.007 -8.311 269 HB2 GLN 36 2HB GLN 36 3.886 2.982 -6.535 270 HB3 GLN 36 3HB GLN 36 3.880 2.599 -8.252 271 HG2 GLN 36 2HG GLN 36 3.139 5.244 -7.027 272 HG3 GLN 36 3HG GLN 36 4.654 4.865 -7.841 273 HE21 GLN 36 1HE2 GLN 36 3.398 3.270 -9.908 274 HE22 GLN 36 2HE2 GLN 36 2.584 4.375 -10.965 275 H GLU 37 H GLU 37 2.353 1.504 -5.230 276 HA GLU 37 HA GLU 37 2.514 -1.128 -6.282 277 HB2 GLU 37 2HB GLU 37 2.138 -0.135 -3.453 278 HB3 GLU 37 3HB GLU 37 2.377 -1.825 -3.873 279 HG2 GLU 37 2HG GLU 37 4.316 0.435 -4.303 280 HG3 GLU 37 3HG GLU 37 4.457 -0.889 -3.146 281 H LEU 38 H LEU 38 -0.065 0.787 -4.893 282 HA LEU 38 HA LEU 38 -1.938 -1.289 -4.530 283 HB2 LEU 38 2HB LEU 38 -2.306 1.669 -4.988 284 HB3 LEU 38 3HB LEU 38 -3.620 0.581 -4.591 285 HG LEU 38 HG LEU 38 -1.219 1.016 -2.814 286 HD11 LEU 38 1HD1 LEU 38 -2.448 3.097 -3.062 287 HD12 LEU 38 2HD1 LEU 38 -2.690 2.419 -1.453 288 HD13 LEU 38 3HD1 LEU 38 -3.955 2.271 -2.672 289 HD21 LEU 38 3HD2 LEU 38 -2.346 -1.105 -2.442 290 HD22 LEU 38 1HD2 LEU 38 -3.903 -0.284 -2.323 291 HD23 LEU 38 2HD2 LEU 38 -2.662 -0.004 -1.101 292 H LYS 39 H LYS 39 -1.597 1.070 -7.197 293 HA LYS 39 HA LYS 39 -3.790 0.061 -8.669 294 HB2 LYS 39 2HB LYS 39 -2.973 1.451 -10.504 295 HB3 LYS 39 3HB LYS 39 -2.917 2.330 -8.985 296 HG2 LYS 39 2HG LYS 39 -0.491 1.777 -8.839 297 HG3 LYS 39 3HG LYS 39 -0.607 1.095 -10.462 298 HD2 LYS 39 2HD LYS 39 -1.201 3.950 -9.680 299 HD3 LYS 39 3HD LYS 39 0.238 3.384 -10.529 300 HE2 LYS 39 2HE LYS 39 -1.235 2.579 -12.361 301 HE3 LYS 39 3HE LYS 39 -2.606 3.309 -11.523 302 HZ1 LYS 39 3HZ LYS 39 -1.563 5.469 -11.741 303 HZ2 LYS 39 1HZ LYS 39 -1.724 4.747 -13.266 304 HZ3 LYS 39 2HZ LYS 39 -0.212 4.779 -12.495 305 H LEU 40 H LEU 40 -0.385 -0.782 -8.637 306 HA LEU 40 HA LEU 40 -0.552 -2.317 -11.070 307 HB2 LEU 40 2HB LEU 40 1.624 -1.990 -9.015 308 HB3 LEU 40 3HB LEU 40 1.784 -3.014 -10.431 309 HG LEU 40 HG LEU 40 1.335 -0.025 -10.472 310 HD11 LEU 40 1HD1 LEU 40 3.776 -1.664 -11.137 311 HD12 LEU 40 2HD1 LEU 40 3.572 -0.659 -9.702 312 HD13 LEU 40 3HD1 LEU 40 3.622 0.085 -11.301 313 HD21 LEU 40 3HD2 LEU 40 1.720 -0.221 -12.873 314 HD22 LEU 40 1HD2 LEU 40 0.308 -1.153 -12.378 315 HD23 LEU 40 2HD2 LEU 40 1.832 -1.973 -12.717 316 H ARG 41 H ARG 41 -1.393 -2.912 -7.870 317 HA ARG 41 HA ARG 41 -1.267 -5.813 -8.358 318 HB2 ARG 41 2HB ARG 41 -0.909 -4.243 -5.823 319 HB3 ARG 41 3HB ARG 41 -1.437 -5.920 -5.769 320 HG2 ARG 41 2HG ARG 41 0.575 -6.624 -6.917 321 HG3 ARG 41 3HG ARG 41 1.095 -4.946 -7.078 322 HD2 ARG 41 2HD ARG 41 1.402 -4.723 -4.741 323 HD3 ARG 41 3HD ARG 41 0.561 -6.238 -4.416 324 HE ARG 41 HE ARG 41 2.542 -7.239 -5.733 325 HH11 ARG 41 1HH1 ARG 41 2.763 -4.430 -3.668 326 HH12 ARG 41 2HH1 ARG 41 4.395 -4.750 -3.188 327 HH21 ARG 41 1HH2 ARG 41 4.670 -7.706 -5.084 328 HH22 ARG 41 2HH2 ARG 41 5.476 -6.642 -3.969 329 H SER 42 H SER 42 -3.299 -3.510 -8.766 330 HA SER 42 HA SER 42 -5.545 -3.304 -8.885 331 HB2 SER 42 2HB SER 42 -5.719 -6.210 -8.058 332 HB3 SER 42 3HB SER 42 -6.891 -5.283 -8.994 333 HG SER 42 HG SER 42 -4.684 -6.621 -9.828 334 H LEU 43 H LEU 43 -5.074 -1.971 -6.937 335 HA LEU 43 HA LEU 43 -6.720 -2.877 -4.686 336 HB2 LEU 43 2HB LEU 43 -3.896 -1.844 -4.570 337 HB3 LEU 43 3HB LEU 43 -4.980 -1.684 -3.202 338 HG LEU 43 HG LEU 43 -4.426 -4.364 -4.444 339 HD11 LEU 43 1HD1 LEU 43 -2.884 -3.027 -2.219 340 HD12 LEU 43 2HD1 LEU 43 -2.271 -3.372 -3.836 341 HD13 LEU 43 3HD1 LEU 43 -2.695 -4.698 -2.753 342 HD21 LEU 43 3HD2 LEU 43 -5.336 -3.459 -1.717 343 HD22 LEU 43 1HD2 LEU 43 -5.057 -5.133 -2.198 344 HD23 LEU 43 2HD2 LEU 43 -6.342 -4.199 -2.964 345 HA PRO 44 HA PRO 44 -8.460 1.202 -4.966 346 HB2 PRO 44 2HB PRO 44 -9.054 1.601 -2.308 347 HB3 PRO 44 3HB PRO 44 -10.059 0.678 -3.431 348 HG2 PRO 44 2HG PRO 44 -8.086 -0.286 -1.412 349 HG3 PRO 44 3HG PRO 44 -9.657 -0.973 -1.859 350 HD2 PRO 44 2HD PRO 44 -7.327 -2.017 -2.726 351 HD3 PRO 44 3HD PRO 44 -8.798 -2.040 -3.719 352 H VAL 45 H VAL 45 -7.336 2.996 -5.235 353 HA VAL 45 HA VAL 45 -4.931 3.434 -3.651 354 HB VAL 45 HB VAL 45 -4.379 5.163 -5.339 355 HG11 VAL 45 1HG1 VAL 45 -5.099 2.457 -6.453 356 HG12 VAL 45 2HG1 VAL 45 -3.591 2.893 -5.646 357 HG13 VAL 45 3HG1 VAL 45 -3.999 3.611 -7.204 358 HG21 VAL 45 3HG2 VAL 45 -6.600 5.867 -5.973 359 HG22 VAL 45 1HG2 VAL 45 -6.955 4.264 -6.621 360 HG23 VAL 45 2HG2 VAL 45 -5.739 5.278 -7.397 361 H SER 46 H SER 46 -8.001 4.226 -3.152 362 HA SER 46 HA SER 46 -7.459 6.987 -2.329 363 HB2 SER 46 2HB SER 46 -10.083 5.486 -2.512 364 HB3 SER 46 3HB SER 46 -9.903 7.180 -2.057 365 HG SER 46 HG SER 46 -8.793 6.294 -4.478 366 H GLY 47 H GLY 47 -7.510 7.619 -0.235 367 HA2 GLY 47 2HA GLY 47 -8.633 6.892 1.989 368 HA3 GLY 47 3HA GLY 47 -7.613 5.476 1.770 369 H THR 48 H THR 48 -7.078 6.574 4.021 370 HA THR 48 HA THR 48 -5.102 8.673 3.824 371 HB THR 48 HB THR 48 -4.795 8.172 6.294 372 HG1 THR 48 HG1 THR 48 -6.718 6.910 7.106 373 HG21 THR 48 3HG2 THR 48 -6.963 9.160 6.934 374 HG22 THR 48 1HG2 THR 48 -7.571 8.840 5.309 375 HG23 THR 48 2HG2 THR 48 -6.242 9.977 5.546 376 H LYS 49 H LYS 49 -2.887 8.329 4.735 377 HA LYS 49 HA LYS 49 -1.582 6.294 3.327 378 HB2 LYS 49 2HB LYS 49 -0.476 8.375 4.016 379 HB3 LYS 49 3HB LYS 49 -0.561 7.865 5.697 380 HG2 LYS 49 2HG LYS 49 0.926 6.034 5.281 381 HG3 LYS 49 3HG LYS 49 0.906 6.357 3.548 382 HD2 LYS 49 2HD LYS 49 1.975 8.529 3.949 383 HD3 LYS 49 3HD LYS 49 2.003 8.188 5.682 384 HE2 LYS 49 2HE LYS 49 3.456 6.301 5.334 385 HE3 LYS 49 3HE LYS 49 3.329 6.478 3.585 386 HZ1 LYS 49 3HZ LYS 49 5.388 7.396 4.337 387 HZ2 LYS 49 1HZ LYS 49 4.610 8.389 5.465 388 HZ3 LYS 49 2HZ LYS 49 4.398 8.665 3.807 389 H THR 50 H THR 50 -2.561 6.461 6.720 390 HA THR 50 HA THR 50 -1.378 4.128 7.662 391 HB THR 50 HB THR 50 -4.150 4.946 8.497 392 HG1 THR 50 HG1 THR 50 -3.387 6.749 9.420 393 HG21 THR 50 3HG2 THR 50 -1.731 3.950 10.010 394 HG22 THR 50 1HG2 THR 50 -3.162 3.006 9.598 395 HG23 THR 50 2HG2 THR 50 -3.290 4.354 10.727 396 H GLU 51 H GLU 51 -4.569 4.597 6.178 397 HA GLU 51 HA GLU 51 -5.377 1.909 6.189 398 HB2 GLU 51 2HB GLU 51 -6.149 4.325 4.593 399 HB3 GLU 51 3HB GLU 51 -6.800 2.749 4.169 400 HG2 GLU 51 2HG GLU 51 -7.013 3.929 6.918 401 HG3 GLU 51 3HG GLU 51 -8.230 4.159 5.663 402 H LEU 52 H LEU 52 -3.701 3.846 3.736 403 HA LEU 52 HA LEU 52 -3.724 1.913 1.700 404 HB2 LEU 52 2HB LEU 52 -1.726 4.125 2.171 405 HB3 LEU 52 3HB LEU 52 -1.929 3.239 0.673 406 HG LEU 52 HG LEU 52 -3.979 5.061 1.937 407 HD11 LEU 52 1HD1 LEU 52 -2.258 5.374 -0.518 408 HD12 LEU 52 2HD1 LEU 52 -2.111 6.281 0.987 409 HD13 LEU 52 3HD1 LEU 52 -3.543 6.474 -0.023 410 HD21 LEU 52 3HD2 LEU 52 -4.058 3.585 -0.692 411 HD22 LEU 52 1HD2 LEU 52 -5.277 4.708 -0.086 412 HD23 LEU 52 2HD2 LEU 52 -5.000 3.175 0.743 413 H ILE 53 H ILE 53 -1.237 2.654 4.146 414 HA ILE 53 HA ILE 53 0.666 0.788 3.245 415 HB ILE 53 HB ILE 53 0.206 1.846 6.036 416 HG12 ILE 53 2HG1 ILE 53 2.192 2.618 3.885 417 HG13 ILE 53 3HG1 ILE 53 0.780 3.553 4.364 418 HG21 ILE 53 1HG2 ILE 53 2.578 0.334 4.939 419 HG22 ILE 53 2HG2 ILE 53 1.420 -0.271 6.123 420 HG23 ILE 53 3HG2 ILE 53 2.479 1.077 6.538 421 HD11 ILE 53 3HD1 ILE 53 3.138 2.917 6.122 422 HD12 ILE 53 1HD1 ILE 53 1.736 3.886 6.573 423 HD13 ILE 53 2HD1 ILE 53 2.835 4.453 5.313 424 H GLU 54 H GLU 54 -1.826 0.477 5.777 425 HA GLU 54 HA GLU 54 -1.196 -2.230 6.346 426 HB2 GLU 54 2HB GLU 54 -3.752 -0.709 6.869 427 HB3 GLU 54 3HB GLU 54 -3.346 -2.276 7.556 428 HG2 GLU 54 2HG GLU 54 -2.034 0.372 8.078 429 HG3 GLU 54 3HG GLU 54 -2.890 -0.666 9.217 430 H ARG 55 H ARG 55 -3.176 -0.692 3.965 431 HA ARG 55 HA ARG 55 -4.740 -2.912 3.181 432 HB2 ARG 55 2HB ARG 55 -5.244 -0.602 2.528 433 HB3 ARG 55 3HB ARG 55 -3.774 -0.542 1.571 434 HG2 ARG 55 2HG ARG 55 -4.633 -2.060 -0.018 435 HG3 ARG 55 3HG ARG 55 -5.989 -2.496 1.029 436 HD2 ARG 55 2HD ARG 55 -5.511 0.217 -0.203 437 HD3 ARG 55 3HD ARG 55 -6.684 -0.974 -0.759 438 HE ARG 55 HE ARG 55 -7.416 -0.657 1.789 439 HH11 ARG 55 1HH1 ARG 55 -6.721 1.693 -0.724 440 HH12 ARG 55 2HH1 ARG 55 -7.802 2.891 -0.072 441 HH21 ARG 55 1HH2 ARG 55 -8.839 0.908 2.632 442 HH22 ARG 55 2HH2 ARG 55 -9.003 2.442 1.830 443 H LEU 56 H LEU 56 -1.591 -1.691 2.126 444 HA LEU 56 HA LEU 56 -1.104 -3.691 0.185 445 HB2 LEU 56 2HB LEU 56 0.733 -1.927 1.794 446 HB3 LEU 56 3HB LEU 56 1.333 -3.073 0.611 447 HG LEU 56 HG LEU 56 -0.575 -0.825 -0.036 448 HD11 LEU 56 1HD1 LEU 56 1.578 0.059 0.703 449 HD12 LEU 56 2HD1 LEU 56 1.360 0.287 -1.032 450 HD13 LEU 56 3HD1 LEU 56 2.409 -1.000 -0.436 451 HD21 LEU 56 3HD2 LEU 56 -0.726 -2.687 -1.577 452 HD22 LEU 56 1HD2 LEU 56 1.028 -2.709 -1.759 453 HD23 LEU 56 2HD2 LEU 56 0.095 -1.335 -2.352 454 H ARG 57 H ARG 57 -0.301 -3.421 3.626 455 HA ARG 57 HA ARG 57 1.161 -5.819 3.823 456 HB2 ARG 57 2HB ARG 57 -0.487 -4.500 5.993 457 HB3 ARG 57 3HB ARG 57 0.823 -5.649 6.226 458 HG2 ARG 57 2HG ARG 57 2.405 -4.054 5.277 459 HG3 ARG 57 3HG ARG 57 1.097 -2.895 5.037 460 HD2 ARG 57 2HD ARG 57 2.111 -2.217 7.031 461 HD3 ARG 57 3HD ARG 57 0.688 -3.115 7.551 462 HE ARG 57 HE ARG 57 3.291 -4.468 7.422 463 HH11 ARG 57 1HH1 ARG 57 0.576 -3.282 9.298 464 HH12 ARG 57 2HH1 ARG 57 1.097 -4.059 10.766 465 HH21 ARG 57 1HH2 ARG 57 3.956 -5.517 9.340 466 HH22 ARG 57 2HH2 ARG 57 3.010 -5.355 10.780 467 H ALA 58 H ALA 58 -2.277 -5.107 4.195 468 HA ALA 58 HA ALA 58 -3.109 -7.694 4.954 469 HB1 ALA 58 3HB ALA 58 -4.520 -5.712 5.214 470 HB2 ALA 58 1HB ALA 58 -5.340 -6.971 4.294 471 HB3 ALA 58 2HB ALA 58 -4.654 -5.578 3.461 472 H TYR 59 H TYR 59 -2.529 -6.196 1.836 473 HA TYR 59 HA TYR 59 -3.699 -8.218 0.243 474 HB2 TYR 59 2HB TYR 59 -3.106 -5.902 -0.522 475 HB3 TYR 59 3HB TYR 59 -1.415 -6.390 -0.511 476 HD1 TYR 59 HD2 TYR 59 -4.695 -7.053 -2.093 477 HD2 TYR 59 HD1 TYR 59 -0.484 -7.570 -2.339 478 HE1 TYR 59 HE2 TYR 59 -4.941 -7.860 -4.404 479 HE2 TYR 59 HE1 TYR 59 -0.712 -8.374 -4.652 480 HH TYR 59 HH TYR 59 -3.421 -7.910 -6.485 481 H GLN 60 H GLN 60 -0.424 -7.723 1.469 482 HA GLN 60 HA GLN 60 0.653 -10.040 0.189 483 HB2 GLN 60 2HB GLN 60 2.000 -8.062 0.925 484 HB3 GLN 60 3HB GLN 60 1.715 -8.538 2.592 485 HG2 GLN 60 2HG GLN 60 2.838 -10.654 0.913 486 HG3 GLN 60 3HG GLN 60 3.875 -9.242 1.102 487 HE21 GLN 60 1HE2 GLN 60 2.336 -11.906 2.711 488 HE22 GLN 60 2HE2 GLN 60 3.218 -11.785 4.190 489 H ASP 61 H ASP 61 -0.797 -9.334 3.293 490 HA ASP 61 HA ASP 61 -0.091 -11.774 4.569 491 HB2 ASP 61 2HB ASP 61 -0.596 -9.747 5.828 492 HB3 ASP 61 3HB ASP 61 -2.245 -9.761 5.224 493 H GLN 62 H GLN 62 -2.679 -10.886 2.418 494 HA GLN 62 HA GLN 62 -4.154 -13.309 3.085 495 HB2 GLN 62 2HB GLN 62 -5.785 -12.578 1.411 496 HB3 GLN 62 3HB GLN 62 -5.459 -11.317 2.590 497 HG2 GLN 62 2HG GLN 62 -3.907 -10.281 0.940 498 HG3 GLN 62 3HG GLN 62 -4.460 -11.476 -0.236 499 HE21 GLN 62 1HE2 GLN 62 -5.353 -8.724 1.685 500 HE22 GLN 62 2HE2 GLN 62 -6.807 -8.336 0.829 501 H ILE 63 H ILE 63 -1.629 -12.403 1.067 502 HA ILE 63 HA ILE 63 -2.041 -14.575 -0.826 503 HB ILE 63 HB ILE 63 0.269 -12.649 -0.467 504 HG12 ILE 63 2HG1 ILE 63 -1.817 -12.883 -2.646 505 HG13 ILE 63 3HG1 ILE 63 -1.809 -11.669 -1.371 506 HG21 ILE 63 1HG2 ILE 63 1.083 -14.787 -1.313 507 HG22 ILE 63 2HG2 ILE 63 1.160 -13.543 -2.560 508 HG23 ILE 63 3HG2 ILE 63 -0.128 -14.746 -2.594 509 HD11 ILE 63 3HD1 ILE 63 0.262 -11.995 -3.530 510 HD12 ILE 63 1HD1 ILE 63 0.305 -10.791 -2.242 511 HD13 ILE 63 2HD1 ILE 63 -0.983 -10.748 -3.446 512 H SER 64 H SER 64 0.171 -13.670 1.778 513 HA SER 64 HA SER 64 0.346 -16.440 2.599 514 HB2 SER 64 2HB SER 64 2.826 -14.832 1.912 515 HB3 SER 64 3HB SER 64 2.831 -16.387 2.745 516 HG SER 64 HG SER 64 1.355 -16.559 0.511 517 HA PRO 65 HA PRO 65 -0.285 -13.624 6.088 518 HB2 PRO 65 2HB PRO 65 -1.290 -15.525 7.754 519 HB3 PRO 65 3HB PRO 65 -2.255 -14.713 6.517 520 HG2 PRO 65 2HG PRO 65 -0.954 -17.408 6.431 521 HG3 PRO 65 3HG PRO 65 -2.566 -16.923 5.873 522 HD2 PRO 65 2HD PRO 65 -0.489 -17.243 4.180 523 HD3 PRO 65 3HD PRO 65 -1.763 -16.040 3.906 524 H VAL 66 H VAL 66 0.626 -13.407 8.174 525 HA VAL 66 HA VAL 66 3.236 -14.374 8.480 526 HB VAL 66 HB VAL 66 3.025 -13.533 10.870 527 HG11 VAL 66 1HG1 VAL 66 3.014 -11.196 10.172 528 HG12 VAL 66 2HG1 VAL 66 2.298 -11.653 8.625 529 HG13 VAL 66 3HG1 VAL 66 3.928 -12.191 9.036 530 HG21 VAL 66 3HG2 VAL 66 1.074 -12.139 11.375 531 HG22 VAL 66 1HG2 VAL 66 0.611 -13.823 11.135 532 HG23 VAL 66 2HG2 VAL 66 0.321 -12.638 9.862 533 HA PRO 67 HA PRO 67 2.083 -18.419 9.995 534 HB2 PRO 67 2HB PRO 67 4.875 -19.121 9.769 535 HB3 PRO 67 3HB PRO 67 3.525 -19.643 8.763 536 HG2 PRO 67 2HG PRO 67 5.533 -18.009 7.883 537 HG3 PRO 67 3HG PRO 67 3.896 -18.018 7.202 538 HD2 PRO 67 2HD PRO 67 5.122 -16.125 9.169 539 HD3 PRO 67 3HD PRO 67 4.037 -15.791 7.801 540 H GLY 68 H GLY 68 1.750 -18.670 12.099 541 HA2 GLY 68 2HA GLY 68 2.131 -18.895 14.349 542 HA3 GLY 68 3HA GLY 68 3.804 -19.214 13.925 543 H ALA 69 H ALA 69 1.973 -16.242 13.386 544 HA ALA 69 HA ALA 69 3.467 -14.881 15.481 545 HB1 ALA 69 3HB ALA 69 3.637 -14.029 12.587 546 HB2 ALA 69 1HB ALA 69 4.943 -14.754 13.527 547 HB3 ALA 69 2HB ALA 69 4.319 -13.161 13.964 548 HA PRO 70 HA PRO 70 -0.349 -12.595 15.772 549 HB2 PRO 70 2HB PRO 70 1.287 -10.352 16.770 550 HB3 PRO 70 3HB PRO 70 -0.014 -11.238 17.572 551 HG2 PRO 70 2HG PRO 70 2.544 -11.544 18.311 552 HG3 PRO 70 3HG PRO 70 1.404 -12.904 18.323 553 HD2 PRO 70 2HD PRO 70 3.514 -12.217 16.307 554 HD3 PRO 70 3HD PRO 70 3.070 -13.802 16.977 555 H LYS 71 H LYS 71 -1.346 -10.632 14.952 556 HA LYS 71 HA LYS 71 -0.189 -9.885 12.394 557 HB2 LYS 71 2HB LYS 71 -2.609 -10.550 12.684 558 HB3 LYS 71 3HB LYS 71 -2.850 -9.048 13.562 559 HG2 LYS 71 2HG LYS 71 -3.575 -8.890 11.227 560 HG3 LYS 71 3HG LYS 71 -2.265 -7.765 11.594 561 HD2 LYS 71 2HD LYS 71 -0.658 -9.361 10.612 562 HD3 LYS 71 3HD LYS 71 -2.001 -10.423 10.188 563 HE2 LYS 71 2HE LYS 71 -1.737 -7.577 9.239 564 HE3 LYS 71 3HE LYS 71 -1.169 -8.973 8.325 565 HZ1 LYS 71 3HZ LYS 71 -3.404 -8.143 7.688 566 HZ2 LYS 71 1HZ LYS 71 -3.983 -8.620 9.204 567 HZ3 LYS 71 2HZ LYS 71 -3.380 -9.782 8.121 568 H ALA 72 H ALA 72 0.089 -8.826 15.458 569 HA ALA 72 HA ALA 72 0.407 -6.007 14.706 570 HB1 ALA 72 3HB ALA 72 -0.944 -6.445 16.711 571 HB2 ALA 72 1HB ALA 72 0.529 -5.555 17.104 572 HB3 ALA 72 2HB ALA 72 0.425 -7.284 17.443 573 HA PRO 73 HA PRO 73 4.805 -6.251 14.442 574 HB2 PRO 73 2HB PRO 73 4.903 -3.902 16.267 575 HB3 PRO 73 3HB PRO 73 5.615 -4.115 14.663 576 HG2 PRO 73 2HG PRO 73 3.448 -2.608 14.986 577 HG3 PRO 73 3HG PRO 73 3.619 -3.660 13.568 578 HD2 PRO 73 2HD PRO 73 1.971 -4.048 16.032 579 HD3 PRO 73 3HD PRO 73 1.589 -4.446 14.345 580 H ALA 74 H ALA 74 6.488 -7.143 15.507 581 HA ALA 74 HA ALA 74 5.981 -8.514 17.905 582 HB1 ALA 74 3HB ALA 74 8.646 -8.030 16.589 583 HB2 ALA 74 1HB ALA 74 7.515 -9.314 16.160 584 HB3 ALA 74 2HB ALA 74 8.263 -9.293 17.757 585 H ALA 75 H ALA 75 6.559 -8.198 19.975 586 HA ALA 75 HA ALA 75 8.164 -5.832 20.651 587 HB1 ALA 75 3HB ALA 75 6.663 -5.328 22.515 588 HB2 ALA 75 1HB ALA 75 5.604 -6.650 22.027 589 HB3 ALA 75 2HB ALA 75 5.805 -5.249 20.976 Start of MODEL 3 1 H1 MET 1 1H MET 1 -15.066 -6.283 -3.785 2 H2 MET 1 2H MET 1 -16.742 -6.495 -3.918 3 H3 MET 1 3H MET 1 -16.114 -5.247 -2.947 4 HA MET 1 HA MET 1 -15.214 -4.145 -4.863 5 HB2 MET 1 2HB MET 1 -16.553 -6.377 -6.412 6 HB3 MET 1 3HB MET 1 -15.824 -4.947 -7.125 7 HG2 MET 1 2HG MET 1 -14.278 -6.704 -7.389 8 HG3 MET 1 3HG MET 1 -13.648 -5.662 -6.118 9 HE1 MET 1 3HE MET 1 -12.413 -9.169 -4.942 10 HE2 MET 1 1HE MET 1 -11.957 -7.512 -5.342 11 HE3 MET 1 2HE MET 1 -12.529 -8.599 -6.607 12 H GLY 2 H GLY 2 -16.706 -3.002 -6.567 13 HA2 GLY 2 2HA GLY 2 -19.438 -2.899 -5.436 14 HA3 GLY 2 3HA GLY 2 -18.565 -1.465 -5.963 15 H HIS 3 H HIS 3 -18.535 -0.914 -8.074 16 HA HIS 3 HA HIS 3 -19.550 -2.829 -10.047 17 HB2 HIS 3 2HB HIS 3 -20.614 -0.023 -9.656 18 HB3 HIS 3 3HB HIS 3 -20.897 -0.979 -11.105 19 HD1 HIS 3 HD1 HIS 3 -22.390 -0.175 -7.961 20 HD2 HIS 3 HD2 HIS 3 -22.277 -3.553 -10.391 21 HE1 HIS 3 HE1 HIS 3 -24.306 -1.625 -7.206 22 HE2 HIS 3 HE2 HIS 3 -24.326 -3.575 -8.805 23 H HIS 4 H HIS 4 -19.154 -1.970 -12.313 24 HA HIS 4 HA HIS 4 -16.439 -1.301 -12.598 25 HB2 HIS 4 2HB HIS 4 -16.855 -1.174 -14.969 26 HB3 HIS 4 3HB HIS 4 -17.808 -2.500 -14.314 27 HD1 HIS 4 HD1 HIS 4 -20.424 -2.087 -14.145 28 HD2 HIS 4 HD2 HIS 4 -18.293 0.812 -16.236 29 HE1 HIS 4 HE1 HIS 4 -22.142 -0.772 -15.431 30 HE2 HIS 4 HE2 HIS 4 -20.844 1.056 -16.585 31 H HIS 5 H HIS 5 -15.378 0.592 -12.833 32 HA HIS 5 HA HIS 5 -16.814 2.990 -12.087 33 HB2 HIS 5 2HB HIS 5 -14.617 4.036 -11.907 34 HB3 HIS 5 3HB HIS 5 -14.613 2.486 -11.076 35 HD1 HIS 5 HD1 HIS 5 -13.042 4.325 -13.909 36 HD2 HIS 5 HD2 HIS 5 -13.011 0.483 -12.306 37 HE1 HIS 5 HE1 HIS 5 -11.069 3.169 -14.953 38 HE2 HIS 5 HE2 HIS 5 -11.018 0.872 -13.913 39 H HIS 6 H HIS 6 -16.366 5.059 -13.250 40 HA HIS 6 HA HIS 6 -16.817 4.769 -16.072 41 HB2 HIS 6 2HB HIS 6 -16.357 7.197 -14.328 42 HB3 HIS 6 3HB HIS 6 -16.667 7.291 -16.060 43 HD1 HIS 6 HD1 HIS 6 -18.387 7.445 -12.929 44 HD2 HIS 6 HD2 HIS 6 -19.266 5.918 -16.699 45 HE1 HIS 6 HE1 HIS 6 -20.892 7.194 -12.996 46 HE2 HIS 6 HE2 HIS 6 -21.412 6.358 -15.320 47 H HIS 7 H HIS 7 -15.433 5.442 -17.757 48 HA HIS 7 HA HIS 7 -12.630 5.058 -16.992 49 HB2 HIS 7 2HB HIS 7 -12.248 4.403 -19.348 50 HB3 HIS 7 3HB HIS 7 -13.436 3.387 -18.545 51 HD1 HIS 7 HD1 HIS 7 -13.011 5.775 -21.369 52 HD2 HIS 7 HD2 HIS 7 -16.088 3.680 -19.507 53 HE1 HIS 7 HE1 HIS 7 -14.973 5.907 -22.936 54 HE2 HIS 7 HE2 HIS 7 -16.880 4.832 -21.682 55 H HIS 8 H HIS 8 -11.127 6.516 -17.296 56 HA HIS 8 HA HIS 8 -11.636 8.703 -19.186 57 HB2 HIS 8 2HB HIS 8 -10.509 10.295 -17.683 58 HB3 HIS 8 3HB HIS 8 -11.964 9.637 -16.952 59 HD1 HIS 8 HD1 HIS 8 -11.715 8.406 -14.760 60 HD2 HIS 8 HD2 HIS 8 -8.068 9.401 -16.497 61 HE1 HIS 8 HE1 HIS 8 -9.973 7.935 -13.003 62 HE2 HIS 8 HE2 HIS 8 -7.800 8.736 -14.010 63 H SER 9 H SER 9 -9.287 9.955 -19.257 64 HA SER 9 HA SER 9 -7.781 8.267 -20.891 65 HB2 SER 9 2HB SER 9 -6.878 10.833 -19.564 66 HB3 SER 9 3HB SER 9 -6.198 10.105 -21.019 67 HG SER 9 HG SER 9 -8.158 10.465 -22.079 68 H HIS 10 H HIS 10 -6.506 6.641 -20.359 69 HA HIS 10 HA HIS 10 -4.509 6.972 -18.297 70 HB2 HIS 10 2HB HIS 10 -5.049 5.059 -16.986 71 HB3 HIS 10 3HB HIS 10 -6.546 5.965 -17.141 72 HD1 HIS 10 HD1 HIS 10 -5.280 2.637 -17.338 73 HD2 HIS 10 HD2 HIS 10 -8.220 4.777 -19.363 74 HE1 HIS 10 HE1 HIS 10 -6.772 0.910 -18.391 75 HE2 HIS 10 HE2 HIS 10 -8.429 2.224 -19.755 76 H MET 11 H MET 11 -2.693 5.712 -18.680 77 HA MET 11 HA MET 11 -2.620 4.524 -21.341 78 HB2 MET 11 2HB MET 11 -0.414 5.216 -19.393 79 HB3 MET 11 3HB MET 11 -0.144 4.480 -20.967 80 HG2 MET 11 2HG MET 11 -1.063 6.413 -22.074 81 HG3 MET 11 3HG MET 11 -1.472 7.140 -20.522 82 HE1 MET 11 3HE MET 11 0.298 7.986 -18.769 83 HE2 MET 11 1HE MET 11 2.043 7.894 -18.999 84 HE3 MET 11 2HE MET 11 1.105 6.417 -18.760 85 H SER 12 H SER 12 -0.913 2.593 -21.405 86 HA SER 12 HA SER 12 -2.207 0.400 -20.209 87 HB2 SER 12 2HB SER 12 0.563 0.529 -21.423 88 HB3 SER 12 3HB SER 12 -0.381 -0.935 -21.148 89 HG SER 12 HG SER 12 -1.338 -0.575 -22.969 90 H THR 13 H THR 13 -1.764 -0.820 -18.427 91 HA THR 13 HA THR 13 0.145 0.308 -16.519 92 HB THR 13 HB THR 13 -1.728 -1.937 -15.873 93 HG1 THR 13 HG1 THR 13 -3.434 -0.676 -15.911 94 HG21 THR 13 3HG2 THR 13 -0.650 0.388 -14.278 95 HG22 THR 13 1HG2 THR 13 -0.098 -1.283 -14.192 96 HG23 THR 13 2HG2 THR 13 -1.725 -0.866 -13.658 97 HA PRO 14 HA PRO 14 2.709 -3.293 -17.492 98 HB2 PRO 14 2HB PRO 14 4.789 -1.977 -15.981 99 HB3 PRO 14 3HB PRO 14 4.715 -2.269 -17.719 100 HG2 PRO 14 2HG PRO 14 4.554 0.219 -16.571 101 HG3 PRO 14 3HG PRO 14 3.876 -0.192 -18.157 102 HD2 PRO 14 2HD PRO 14 2.496 0.066 -15.516 103 HD3 PRO 14 3HD PRO 14 1.940 0.546 -17.134 104 H LEU 15 H LEU 15 1.590 -4.696 -16.114 105 HA LEU 15 HA LEU 15 1.692 -4.319 -13.260 106 HB2 LEU 15 2HB LEU 15 0.320 -6.380 -13.180 107 HB3 LEU 15 3HB LEU 15 -0.360 -5.119 -14.186 108 HG LEU 15 HG LEU 15 0.880 -6.486 -16.105 109 HD11 LEU 15 1HD1 LEU 15 0.726 -8.888 -15.707 110 HD12 LEU 15 2HD1 LEU 15 0.278 -8.587 -14.028 111 HD13 LEU 15 3HD1 LEU 15 1.878 -8.127 -14.610 112 HD21 LEU 15 3HD2 LEU 15 -1.767 -7.246 -14.873 113 HD22 LEU 15 1HD2 LEU 15 -1.238 -7.664 -16.502 114 HD23 LEU 15 2HD2 LEU 15 -1.487 -5.974 -16.063 115 H THR 16 H THR 16 2.659 -5.648 -11.738 116 HA THR 16 HA THR 16 5.126 -6.841 -12.621 117 HB THR 16 HB THR 16 5.325 -7.260 -10.059 118 HG1 THR 16 HG1 THR 16 3.890 -5.281 -9.230 119 HG21 THR 16 3HG2 THR 16 6.598 -5.573 -11.274 120 HG22 THR 16 1HG2 THR 16 6.056 -4.942 -9.719 121 HG23 THR 16 2HG2 THR 16 5.226 -4.467 -11.202 122 H GLY 17 H GLY 17 1.980 -7.922 -11.745 123 HA2 GLY 17 2HA GLY 17 1.106 -10.024 -12.226 124 HA3 GLY 17 3HA GLY 17 2.741 -10.611 -12.496 125 H LYS 18 H LYS 18 3.859 -11.559 -10.845 126 HA LYS 18 HA LYS 18 2.221 -12.281 -8.525 127 HB2 LYS 18 2HB LYS 18 4.697 -13.533 -9.714 128 HB3 LYS 18 3HB LYS 18 3.956 -14.079 -8.218 129 HG2 LYS 18 2HG LYS 18 2.612 -14.040 -10.912 130 HG3 LYS 18 3HG LYS 18 3.319 -15.461 -10.138 131 HD2 LYS 18 2HD LYS 18 1.753 -15.108 -8.229 132 HD3 LYS 18 3HD LYS 18 0.989 -13.816 -9.156 133 HE2 LYS 18 2HE LYS 18 -0.262 -15.886 -9.380 134 HE3 LYS 18 3HE LYS 18 0.445 -15.418 -10.927 135 HZ1 LYS 18 3HZ LYS 18 0.664 -17.814 -10.373 136 HZ2 LYS 18 1HZ LYS 18 1.679 -17.390 -9.084 137 HZ3 LYS 18 2HZ LYS 18 2.143 -17.048 -10.679 138 HA PRO 19 HA PRO 19 5.067 -9.674 -6.152 139 HB2 PRO 19 2HB PRO 19 3.030 -9.592 -4.124 140 HB3 PRO 19 3HB PRO 19 3.551 -8.292 -5.198 141 HG2 PRO 19 2HG PRO 19 1.077 -9.495 -5.300 142 HG3 PRO 19 3HG PRO 19 1.843 -8.657 -6.661 143 HD2 PRO 19 2HD PRO 19 1.684 -11.590 -6.083 144 HD3 PRO 19 3HD PRO 19 1.543 -10.736 -7.636 145 H GLY 20 H GLY 20 6.402 -10.238 -4.491 146 HA2 GLY 20 2HA GLY 20 5.843 -12.838 -3.204 147 HA3 GLY 20 3HA GLY 20 7.451 -12.201 -3.519 148 H ALA 21 H ALA 21 7.286 -9.649 -2.579 149 HA ALA 21 HA ALA 21 6.279 -9.744 0.143 150 HB1 ALA 21 3HB ALA 21 8.443 -9.312 1.169 151 HB2 ALA 21 1HB ALA 21 9.233 -9.439 -0.402 152 HB3 ALA 21 2HB ALA 21 8.460 -10.854 0.315 153 H LEU 22 H LEU 22 6.900 -7.637 1.299 154 HA LEU 22 HA LEU 22 6.893 -5.411 -0.628 155 HB2 LEU 22 2HB LEU 22 5.341 -5.656 1.951 156 HB3 LEU 22 3HB LEU 22 5.439 -4.200 0.981 157 HG LEU 22 HG LEU 22 4.210 -6.807 0.088 158 HD11 LEU 22 1HD1 LEU 22 2.902 -5.717 1.823 159 HD12 LEU 22 2HD1 LEU 22 2.093 -5.600 0.260 160 HD13 LEU 22 3HD1 LEU 22 2.944 -4.203 0.918 161 HD21 LEU 22 3HD2 LEU 22 4.301 -4.103 -1.245 162 HD22 LEU 22 1HD2 LEU 22 3.393 -5.504 -1.816 163 HD23 LEU 22 2HD2 LEU 22 5.154 -5.553 -1.773 164 HA PRO 23 HA PRO 23 10.248 -3.662 1.749 165 HB2 PRO 23 2HB PRO 23 9.511 -0.999 1.610 166 HB3 PRO 23 3HB PRO 23 10.408 -1.858 0.355 167 HG2 PRO 23 2HG PRO 23 7.492 -1.228 0.512 168 HG3 PRO 23 3HG PRO 23 8.573 -1.204 -0.896 169 HD2 PRO 23 2HD PRO 23 6.851 -3.225 -0.465 170 HD3 PRO 23 3HD PRO 23 8.448 -3.494 -1.189 171 H ALA 24 H ALA 24 10.432 -3.641 3.889 172 HA ALA 24 HA ALA 24 8.281 -3.794 5.629 173 HB1 ALA 24 3HB ALA 24 9.890 -3.582 7.430 174 HB2 ALA 24 1HB ALA 24 11.090 -2.942 6.305 175 HB3 ALA 24 2HB ALA 24 10.533 -4.608 6.146 176 H ASN 25 H ASN 25 10.316 -0.969 4.882 177 HA ASN 25 HA ASN 25 8.756 0.672 6.695 178 HB2 ASN 25 2HB ASN 25 11.144 1.254 4.957 179 HB3 ASN 25 3HB ASN 25 10.282 2.521 5.819 180 HD21 ASN 25 1HD2 ASN 25 11.922 3.069 7.154 181 HD22 ASN 25 2HD2 ASN 25 12.549 2.033 8.395 182 H LEU 26 H LEU 26 6.830 0.036 5.244 183 HA LEU 26 HA LEU 26 6.416 1.531 2.861 184 HB2 LEU 26 2HB LEU 26 4.463 0.385 4.857 185 HB3 LEU 26 3HB LEU 26 3.980 1.141 3.352 186 HG LEU 26 HG LEU 26 5.710 -1.327 3.559 187 HD11 LEU 26 1HD1 LEU 26 2.795 -1.038 2.850 188 HD12 LEU 26 2HD1 LEU 26 3.443 -1.776 4.315 189 HD13 LEU 26 3HD1 LEU 26 3.737 -2.526 2.746 190 HD21 LEU 26 3HD2 LEU 26 6.148 -0.001 1.559 191 HD22 LEU 26 1HD2 LEU 26 4.426 0.008 1.179 192 HD23 LEU 26 2HD2 LEU 26 5.327 -1.509 1.155 193 H ASP 27 H ASP 27 6.454 2.303 6.172 194 HA ASP 27 HA ASP 27 4.827 4.616 6.184 195 HB2 ASP 27 2HB ASP 27 5.479 3.428 8.233 196 HB3 ASP 27 3HB ASP 27 7.163 3.860 7.956 197 H ASP 28 H ASP 28 8.184 4.023 5.363 198 HA ASP 28 HA ASP 28 8.859 6.827 5.195 199 HB2 ASP 28 2HB ASP 28 10.323 4.269 4.628 200 HB3 ASP 28 3HB ASP 28 10.957 5.788 4.012 201 H MET 29 H MET 29 7.347 4.563 3.201 202 HA MET 29 HA MET 29 8.227 5.561 0.674 203 HB2 MET 29 2HB MET 29 5.840 3.874 1.433 204 HB3 MET 29 3HB MET 29 6.306 4.243 -0.222 205 HG2 MET 29 2HG MET 29 8.044 2.796 1.760 206 HG3 MET 29 3HG MET 29 7.036 2.012 0.545 207 HE1 MET 29 3HE MET 29 8.691 3.187 -2.797 208 HE2 MET 29 1HE MET 29 7.310 3.890 -1.954 209 HE3 MET 29 2HE MET 29 7.478 2.136 -2.068 210 H LYS 30 H LYS 30 7.148 6.904 -0.755 211 HA LYS 30 HA LYS 30 5.688 9.045 0.363 212 HB2 LYS 30 2HB LYS 30 5.999 8.250 -2.534 213 HB3 LYS 30 3HB LYS 30 5.375 9.792 -1.966 214 HG2 LYS 30 2HG LYS 30 7.537 10.255 -0.908 215 HG3 LYS 30 3HG LYS 30 8.155 8.723 -1.538 216 HD2 LYS 30 2HD LYS 30 7.732 9.487 -3.817 217 HD3 LYS 30 3HD LYS 30 7.099 11.012 -3.195 218 HE2 LYS 30 2HE LYS 30 9.349 11.354 -3.906 219 HE3 LYS 30 3HE LYS 30 9.303 11.435 -2.149 220 HZ1 LYS 30 3HZ LYS 30 11.196 10.140 -2.996 221 HZ2 LYS 30 1HZ LYS 30 10.123 9.039 -3.711 222 HZ3 LYS 30 2HZ LYS 30 10.169 9.205 -2.024 223 H VAL 31 H VAL 31 3.560 9.753 -0.251 224 HA VAL 31 HA VAL 31 1.606 7.757 0.206 225 HB VAL 31 HB VAL 31 1.206 10.567 -0.838 226 HG11 VAL 31 1HG1 VAL 31 -0.741 8.676 0.484 227 HG12 VAL 31 2HG1 VAL 31 -0.753 9.172 -1.209 228 HG13 VAL 31 3HG1 VAL 31 -1.067 10.358 0.058 229 HG21 VAL 31 3HG2 VAL 31 0.774 11.161 1.497 230 HG22 VAL 31 1HG2 VAL 31 2.413 10.547 1.275 231 HG23 VAL 31 2HG2 VAL 31 1.174 9.515 1.987 232 H ALA 32 H ALA 32 2.488 9.600 -2.700 233 HA ALA 32 HA ALA 32 0.620 8.353 -4.419 234 HB1 ALA 32 3HB ALA 32 3.235 9.695 -5.103 235 HB2 ALA 32 1HB ALA 32 1.667 10.488 -4.961 236 HB3 ALA 32 2HB ALA 32 1.944 9.308 -6.241 237 H GLU 33 H GLU 33 3.822 7.468 -3.350 238 HA GLU 33 HA GLU 33 4.271 5.493 -5.365 239 HB2 GLU 33 2HB GLU 33 5.591 5.952 -2.688 240 HB3 GLU 33 3HB GLU 33 6.123 4.748 -3.854 241 HG2 GLU 33 2HG GLU 33 6.049 7.727 -4.283 242 HG3 GLU 33 3HG GLU 33 7.486 6.743 -4.002 243 H LEU 34 H LEU 34 2.943 5.477 -2.102 244 HA LEU 34 HA LEU 34 2.602 2.699 -1.835 245 HB2 LEU 34 2HB LEU 34 0.932 4.983 -0.775 246 HB3 LEU 34 3HB LEU 34 0.740 3.311 -0.282 247 HG LEU 34 HG LEU 34 3.265 4.920 0.105 248 HD11 LEU 34 1HD1 LEU 34 1.459 5.829 1.452 249 HD12 LEU 34 2HD1 LEU 34 2.628 4.986 2.466 250 HD13 LEU 34 3HD1 LEU 34 1.090 4.220 2.074 251 HD21 LEU 34 3HD2 LEU 34 3.917 3.081 1.567 252 HD22 LEU 34 1HD2 LEU 34 3.627 2.510 -0.075 253 HD23 LEU 34 2HD2 LEU 34 2.421 2.231 1.182 254 H LYS 35 H LYS 35 0.620 5.214 -3.298 255 HA LYS 35 HA LYS 35 -1.568 3.617 -4.046 256 HB2 LYS 35 2HB LYS 35 -0.471 6.135 -5.304 257 HB3 LYS 35 3HB LYS 35 -2.021 5.412 -5.718 258 HG2 LYS 35 2HG LYS 35 -2.833 5.773 -3.474 259 HG3 LYS 35 3HG LYS 35 -1.256 6.389 -2.976 260 HD2 LYS 35 2HD LYS 35 -1.472 8.264 -4.493 261 HD3 LYS 35 3HD LYS 35 -3.001 7.628 -5.101 262 HE2 LYS 35 2HE LYS 35 -4.006 7.902 -2.901 263 HE3 LYS 35 3HE LYS 35 -2.474 8.488 -2.258 264 HZ1 LYS 35 3HZ LYS 35 -3.939 9.821 -4.471 265 HZ2 LYS 35 1HZ LYS 35 -2.604 10.420 -3.613 266 HZ3 LYS 35 2HZ LYS 35 -4.111 10.258 -2.844 267 H GLN 36 H GLN 36 1.513 4.280 -5.602 268 HA GLN 36 HA GLN 36 1.011 3.091 -8.093 269 HB2 GLN 36 2HB GLN 36 3.570 3.366 -6.510 270 HB3 GLN 36 3HB GLN 36 3.516 2.754 -8.157 271 HG2 GLN 36 2HG GLN 36 2.570 5.470 -7.279 272 HG3 GLN 36 3HG GLN 36 4.119 5.125 -8.048 273 HE21 GLN 36 1HE2 GLN 36 3.027 3.133 -9.841 274 HE22 GLN 36 2HE2 GLN 36 2.133 3.992 -11.046 275 H GLU 37 H GLU 37 2.299 1.721 -5.097 276 HA GLU 37 HA GLU 37 2.596 -0.908 -6.130 277 HB2 GLU 37 2HB GLU 37 2.485 0.175 -3.315 278 HB3 GLU 37 3HB GLU 37 2.778 -1.521 -3.681 279 HG2 GLU 37 2HG GLU 37 4.481 0.795 -4.573 280 HG3 GLU 37 3HG GLU 37 4.856 -0.330 -3.268 281 H LEU 38 H LEU 38 -0.069 0.859 -4.833 282 HA LEU 38 HA LEU 38 -1.713 -1.425 -4.275 283 HB2 LEU 38 2HB LEU 38 -2.372 1.499 -4.625 284 HB3 LEU 38 3HB LEU 38 -3.561 0.282 -4.204 285 HG LEU 38 HG LEU 38 -1.127 0.851 -2.511 286 HD11 LEU 38 1HD1 LEU 38 -3.922 1.952 -2.246 287 HD12 LEU 38 2HD1 LEU 38 -2.484 2.871 -2.687 288 HD13 LEU 38 3HD1 LEU 38 -2.616 2.158 -1.080 289 HD21 LEU 38 3HD2 LEU 38 -2.431 -0.277 -0.776 290 HD22 LEU 38 1HD2 LEU 38 -2.178 -1.334 -2.165 291 HD23 LEU 38 2HD2 LEU 38 -3.740 -0.551 -1.927 292 H LYS 39 H LYS 39 -1.663 1.019 -6.876 293 HA LYS 39 HA LYS 39 -3.841 -0.069 -8.295 294 HB2 LYS 39 2HB LYS 39 -3.133 1.397 -10.140 295 HB3 LYS 39 3HB LYS 39 -3.168 2.237 -8.599 296 HG2 LYS 39 2HG LYS 39 -0.670 1.826 -8.475 297 HG3 LYS 39 3HG LYS 39 -0.770 1.333 -10.165 298 HD2 LYS 39 2HD LYS 39 -1.733 3.994 -9.125 299 HD3 LYS 39 3HD LYS 39 -0.132 3.727 -9.814 300 HE2 LYS 39 2HE LYS 39 -2.658 3.069 -11.308 301 HE3 LYS 39 3HE LYS 39 -1.926 4.671 -11.356 302 HZ1 LYS 39 3HZ LYS 39 -0.460 2.192 -12.082 303 HZ2 LYS 39 1HZ LYS 39 0.033 3.793 -12.331 304 HZ3 LYS 39 2HZ LYS 39 -1.273 3.162 -13.212 305 H LEU 40 H LEU 40 -0.486 -0.934 -8.260 306 HA LEU 40 HA LEU 40 -0.522 -2.338 -10.750 307 HB2 LEU 40 2HB LEU 40 1.364 -2.253 -8.422 308 HB3 LEU 40 3HB LEU 40 1.581 -3.421 -9.713 309 HG LEU 40 HG LEU 40 1.489 -0.432 -10.127 310 HD11 LEU 40 1HD1 LEU 40 3.463 -1.149 -8.832 311 HD12 LEU 40 2HD1 LEU 40 3.878 -0.541 -10.433 312 HD13 LEU 40 3HD1 LEU 40 3.871 -2.278 -10.125 313 HD21 LEU 40 3HD2 LEU 40 2.350 -0.997 -12.353 314 HD22 LEU 40 1HD2 LEU 40 0.765 -1.716 -12.062 315 HD23 LEU 40 2HD2 LEU 40 2.217 -2.711 -11.963 316 H ARG 41 H ARG 41 -1.548 -3.049 -7.557 317 HA ARG 41 HA ARG 41 -1.682 -5.921 -8.195 318 HB2 ARG 41 2HB ARG 41 -1.408 -4.558 -5.509 319 HB3 ARG 41 3HB ARG 41 -1.600 -6.295 -5.740 320 HG2 ARG 41 2HG ARG 41 0.488 -6.405 -6.947 321 HG3 ARG 41 3HG ARG 41 0.666 -4.654 -6.857 322 HD2 ARG 41 2HD ARG 41 0.802 -4.810 -4.412 323 HD3 ARG 41 3HD ARG 41 0.650 -6.565 -4.524 324 HE ARG 41 HE ARG 41 2.799 -6.638 -5.571 325 HH11 ARG 41 1HH1 ARG 41 1.921 -3.499 -4.294 326 HH12 ARG 41 2HH1 ARG 41 3.560 -2.912 -4.290 327 HH21 ARG 41 1HH2 ARG 41 4.954 -5.847 -5.569 328 HH22 ARG 41 2HH2 ARG 41 5.262 -4.223 -4.997 329 H SER 42 H SER 42 -3.581 -3.614 -8.648 330 HA SER 42 HA SER 42 -5.822 -3.354 -8.829 331 HB2 SER 42 2HB SER 42 -5.919 -6.215 -7.840 332 HB3 SER 42 3HB SER 42 -7.252 -5.346 -8.595 333 HG SER 42 HG SER 42 -5.111 -5.137 -10.173 334 H LEU 43 H LEU 43 -4.482 -2.608 -6.383 335 HA LEU 43 HA LEU 43 -6.532 -3.058 -4.337 336 HB2 LEU 43 2HB LEU 43 -3.713 -2.018 -4.245 337 HB3 LEU 43 3HB LEU 43 -4.799 -1.883 -2.877 338 HG LEU 43 HG LEU 43 -4.178 -4.534 -4.146 339 HD11 LEU 43 1HD1 LEU 43 -2.505 -4.857 -2.390 340 HD12 LEU 43 2HD1 LEU 43 -2.728 -3.187 -1.871 341 HD13 LEU 43 3HD1 LEU 43 -2.061 -3.532 -3.466 342 HD21 LEU 43 3HD2 LEU 43 -4.880 -5.374 -1.968 343 HD22 LEU 43 1HD2 LEU 43 -6.149 -4.397 -2.711 344 HD23 LEU 43 2HD2 LEU 43 -5.158 -3.720 -1.417 345 HA PRO 44 HA PRO 44 -8.253 0.980 -4.954 346 HB2 PRO 44 2HB PRO 44 -9.274 1.349 -2.433 347 HB3 PRO 44 3HB PRO 44 -10.054 0.371 -3.679 348 HG2 PRO 44 2HG PRO 44 -8.352 -0.491 -1.381 349 HG3 PRO 44 3HG PRO 44 -9.831 -1.231 -2.021 350 HD2 PRO 44 2HD PRO 44 -7.380 -2.219 -2.565 351 HD3 PRO 44 3HD PRO 44 -8.709 -2.286 -3.741 352 H VAL 45 H VAL 45 -7.248 2.881 -4.946 353 HA VAL 45 HA VAL 45 -5.122 3.370 -2.999 354 HB VAL 45 HB VAL 45 -4.378 5.143 -4.507 355 HG11 VAL 45 1HG1 VAL 45 -3.816 3.742 -6.472 356 HG12 VAL 45 2HG1 VAL 45 -4.960 2.529 -5.894 357 HG13 VAL 45 3HG1 VAL 45 -3.537 2.928 -4.932 358 HG21 VAL 45 3HG2 VAL 45 -6.746 4.389 -6.224 359 HG22 VAL 45 1HG2 VAL 45 -5.471 5.526 -6.663 360 HG23 VAL 45 2HG2 VAL 45 -6.557 5.894 -5.323 361 H SER 46 H SER 46 -8.244 3.862 -2.884 362 HA SER 46 HA SER 46 -8.275 6.708 -2.316 363 HB2 SER 46 2HB SER 46 -10.784 6.150 -1.929 364 HB3 SER 46 3HB SER 46 -10.144 6.093 -3.573 365 HG SER 46 HG SER 46 -11.089 4.061 -1.961 366 H GLY 47 H GLY 47 -7.303 7.079 -0.385 367 HA2 GLY 47 2HA GLY 47 -8.693 6.828 1.984 368 HA3 GLY 47 3HA GLY 47 -7.645 5.418 1.909 369 H THR 48 H THR 48 -6.985 6.700 3.960 370 HA THR 48 HA THR 48 -5.193 8.905 3.513 371 HB THR 48 HB THR 48 -4.603 8.570 5.922 372 HG1 THR 48 HG1 THR 48 -6.310 7.021 6.917 373 HG21 THR 48 3HG2 THR 48 -7.551 8.708 5.284 374 HG22 THR 48 1HG2 THR 48 -6.425 10.064 5.327 375 HG23 THR 48 2HG2 THR 48 -6.816 9.196 6.811 376 H LYS 49 H LYS 49 -2.874 8.723 4.384 377 HA LYS 49 HA LYS 49 -1.435 6.828 2.904 378 HB2 LYS 49 2HB LYS 49 -0.460 8.944 3.723 379 HB3 LYS 49 3HB LYS 49 -0.515 8.330 5.371 380 HG2 LYS 49 2HG LYS 49 1.006 6.502 4.701 381 HG3 LYS 49 3HG LYS 49 1.110 7.218 3.093 382 HD2 LYS 49 2HD LYS 49 2.057 9.253 4.047 383 HD3 LYS 49 3HD LYS 49 1.933 8.562 5.667 384 HE2 LYS 49 2HE LYS 49 3.444 6.746 4.985 385 HE3 LYS 49 3HE LYS 49 3.589 7.481 3.390 386 HZ1 LYS 49 3HZ LYS 49 5.460 8.051 4.789 387 HZ2 LYS 49 1HZ LYS 49 4.434 8.718 5.957 388 HZ3 LYS 49 2HZ LYS 49 4.566 9.442 4.428 389 H THR 50 H THR 50 -2.516 6.832 6.244 390 HA THR 50 HA THR 50 -1.247 4.537 7.179 391 HB THR 50 HB THR 50 -4.068 5.306 7.927 392 HG1 THR 50 HG1 THR 50 -2.438 6.499 9.582 393 HG21 THR 50 3HG2 THR 50 -1.781 4.188 9.554 394 HG22 THR 50 1HG2 THR 50 -3.121 3.242 8.907 395 HG23 THR 50 2HG2 THR 50 -3.424 4.485 10.121 396 H GLU 51 H GLU 51 -4.394 4.923 5.571 397 HA GLU 51 HA GLU 51 -5.108 2.197 5.628 398 HB2 GLU 51 2HB GLU 51 -6.013 4.474 3.877 399 HB3 GLU 51 3HB GLU 51 -6.705 2.861 3.782 400 HG2 GLU 51 2HG GLU 51 -6.750 4.721 6.142 401 HG3 GLU 51 3HG GLU 51 -8.114 4.233 5.136 402 H LEU 52 H LEU 52 -3.360 4.152 3.269 403 HA LEU 52 HA LEU 52 -3.292 2.268 1.188 404 HB2 LEU 52 2HB LEU 52 -1.136 4.268 1.878 405 HB3 LEU 52 3HB LEU 52 -1.408 3.519 0.317 406 HG LEU 52 HG LEU 52 -3.206 5.514 1.690 407 HD11 LEU 52 1HD1 LEU 52 -2.640 6.938 -0.219 408 HD12 LEU 52 2HD1 LEU 52 -1.538 5.696 -0.812 409 HD13 LEU 52 3HD1 LEU 52 -1.212 6.501 0.723 410 HD21 LEU 52 3HD2 LEU 52 -4.554 3.893 0.482 411 HD22 LEU 52 1HD2 LEU 52 -3.561 4.119 -0.960 412 HD23 LEU 52 2HD2 LEU 52 -4.553 5.445 -0.355 413 H ILE 53 H ILE 53 -1.042 2.857 3.862 414 HA ILE 53 HA ILE 53 0.824 0.857 3.225 415 HB ILE 53 HB ILE 53 0.095 1.974 5.938 416 HG12 ILE 53 2HG1 ILE 53 2.342 2.708 4.050 417 HG13 ILE 53 3HG1 ILE 53 0.872 3.646 4.285 418 HG21 ILE 53 1HG2 ILE 53 2.503 0.381 5.075 419 HG22 ILE 53 2HG2 ILE 53 1.250 -0.126 6.209 420 HG23 ILE 53 3HG2 ILE 53 2.336 1.199 6.629 421 HD11 ILE 53 3HD1 ILE 53 2.719 4.607 5.518 422 HD12 ILE 53 1HD1 ILE 53 2.966 3.083 6.370 423 HD13 ILE 53 2HD1 ILE 53 1.485 4.006 6.625 424 H GLU 54 H GLU 54 -1.910 0.788 5.511 425 HA GLU 54 HA GLU 54 -1.511 -1.887 6.309 426 HB2 GLU 54 2HB GLU 54 -4.057 -0.257 6.388 427 HB3 GLU 54 3HB GLU 54 -3.760 -1.742 7.281 428 HG2 GLU 54 2HG GLU 54 -2.319 0.877 7.631 429 HG3 GLU 54 3HG GLU 54 -3.506 0.172 8.728 430 H ARG 55 H ARG 55 -3.154 -0.468 3.603 431 HA ARG 55 HA ARG 55 -4.763 -2.671 2.862 432 HB2 ARG 55 2HB ARG 55 -4.640 -0.172 1.972 433 HB3 ARG 55 3HB ARG 55 -3.562 -0.892 0.785 434 HG2 ARG 55 2HG ARG 55 -5.561 -1.052 -0.305 435 HG3 ARG 55 3HG ARG 55 -5.513 -2.615 0.510 436 HD2 ARG 55 2HD ARG 55 -6.962 -0.149 1.477 437 HD3 ARG 55 3HD ARG 55 -7.704 -1.568 0.743 438 HE ARG 55 HE ARG 55 -6.873 -2.824 2.725 439 HH11 ARG 55 1HH1 ARG 55 -7.326 0.641 2.922 440 HH12 ARG 55 2HH1 ARG 55 -7.579 0.654 4.644 441 HH21 ARG 55 1HH2 ARG 55 -7.217 -2.825 5.002 442 HH22 ARG 55 2HH2 ARG 55 -7.494 -1.313 5.821 443 H LEU 56 H LEU 56 -1.551 -1.607 1.804 444 HA LEU 56 HA LEU 56 -0.978 -3.737 0.087 445 HB2 LEU 56 2HB LEU 56 0.801 -1.947 1.734 446 HB3 LEU 56 3HB LEU 56 1.441 -3.152 0.631 447 HG LEU 56 HG LEU 56 -0.377 -0.897 -0.219 448 HD11 LEU 56 1HD1 LEU 56 1.639 0.156 -1.119 449 HD12 LEU 56 2HD1 LEU 56 2.626 -1.112 -0.394 450 HD13 LEU 56 3HD1 LEU 56 1.724 0.001 0.636 451 HD21 LEU 56 3HD2 LEU 56 0.406 -1.493 -2.463 452 HD22 LEU 56 1HD2 LEU 56 -0.421 -2.844 -1.686 453 HD23 LEU 56 2HD2 LEU 56 1.339 -2.825 -1.782 454 H ARG 57 H ARG 57 -0.335 -3.311 3.538 455 HA ARG 57 HA ARG 57 1.120 -5.639 4.002 456 HB2 ARG 57 2HB ARG 57 -0.813 -4.271 5.883 457 HB3 ARG 57 3HB ARG 57 0.446 -5.406 6.352 458 HG2 ARG 57 2HG ARG 57 2.152 -3.863 5.582 459 HG3 ARG 57 3HG ARG 57 0.908 -2.728 5.057 460 HD2 ARG 57 2HD ARG 57 1.734 -1.992 7.178 461 HD3 ARG 57 3HD ARG 57 0.107 -2.630 7.419 462 HE ARG 57 HE ARG 57 2.160 -4.588 7.848 463 HH11 ARG 57 1HH1 ARG 57 0.343 -1.981 9.343 464 HH12 ARG 57 2HH1 ARG 57 0.636 -2.544 10.962 465 HH21 ARG 57 1HH2 ARG 57 2.515 -5.336 9.968 466 HH22 ARG 57 2HH2 ARG 57 1.857 -4.462 11.318 467 H ALA 58 H ALA 58 -2.385 -5.103 4.198 468 HA ALA 58 HA ALA 58 -3.025 -7.733 5.029 469 HB1 ALA 58 3HB ALA 58 -4.794 -5.730 3.632 470 HB2 ALA 58 1HB ALA 58 -4.505 -5.801 5.370 471 HB3 ALA 58 2HB ALA 58 -5.325 -7.134 4.558 472 H TYR 59 H TYR 59 -2.488 -6.309 1.900 473 HA TYR 59 HA TYR 59 -3.760 -8.372 0.396 474 HB2 TYR 59 2HB TYR 59 -3.328 -6.071 -0.470 475 HB3 TYR 59 3HB TYR 59 -1.610 -6.444 -0.505 476 HD1 TYR 59 HD2 TYR 59 -4.883 -7.594 -1.860 477 HD2 TYR 59 HD1 TYR 59 -0.671 -7.399 -2.422 478 HE1 TYR 59 HE2 TYR 59 -5.151 -8.510 -4.126 479 HE2 TYR 59 HE1 TYR 59 -0.927 -8.319 -4.690 480 HH TYR 59 HH TYR 59 -3.901 -8.474 -6.273 481 H GLN 60 H GLN 60 -0.339 -7.626 1.100 482 HA GLN 60 HA GLN 60 0.687 -9.971 -0.118 483 HB2 GLN 60 2HB GLN 60 1.975 -7.872 0.454 484 HB3 GLN 60 3HB GLN 60 1.963 -8.396 2.129 485 HG2 GLN 60 2HG GLN 60 3.102 -10.119 -0.049 486 HG3 GLN 60 3HG GLN 60 4.050 -8.851 0.722 487 HE21 GLN 60 1HE2 GLN 60 4.484 -11.718 0.710 488 HE22 GLN 60 2HE2 GLN 60 4.485 -12.217 2.367 489 H ASP 61 H ASP 61 -0.517 -9.234 3.065 490 HA ASP 61 HA ASP 61 0.409 -11.429 4.506 491 HB2 ASP 61 2HB ASP 61 -0.655 -9.508 5.561 492 HB3 ASP 61 3HB ASP 61 -2.188 -9.907 4.794 493 H GLN 62 H GLN 62 -2.433 -11.116 2.424 494 HA GLN 62 HA GLN 62 -3.223 -13.851 3.020 495 HB2 GLN 62 2HB GLN 62 -5.207 -13.397 1.721 496 HB3 GLN 62 3HB GLN 62 -4.941 -12.096 2.869 497 HG2 GLN 62 2HG GLN 62 -3.888 -10.803 0.991 498 HG3 GLN 62 3HG GLN 62 -4.478 -12.060 -0.096 499 HE21 GLN 62 1HE2 GLN 62 -5.327 -9.420 1.969 500 HE22 GLN 62 2HE2 GLN 62 -6.972 -9.274 1.451 501 H ILE 63 H ILE 63 -1.119 -12.367 0.916 502 HA ILE 63 HA ILE 63 -1.357 -14.257 -1.249 503 HB ILE 63 HB ILE 63 0.906 -12.389 -0.488 504 HG12 ILE 63 2HG1 ILE 63 -1.161 -12.234 -2.690 505 HG13 ILE 63 3HG1 ILE 63 -1.144 -11.260 -1.225 506 HG21 ILE 63 1HG2 ILE 63 1.856 -12.849 -2.691 507 HG22 ILE 63 2HG2 ILE 63 0.596 -14.047 -2.989 508 HG23 ILE 63 3HG2 ILE 63 1.781 -14.313 -1.710 509 HD11 ILE 63 3HD1 ILE 63 -0.313 -9.993 -3.102 510 HD12 ILE 63 1HD1 ILE 63 0.923 -11.213 -3.412 511 HD13 ILE 63 2HD1 ILE 63 0.975 -10.260 -1.928 512 H SER 64 H SER 64 0.159 -14.040 1.832 513 HA SER 64 HA SER 64 1.803 -16.388 1.464 514 HB2 SER 64 2HB SER 64 1.119 -14.835 3.980 515 HB3 SER 64 3HB SER 64 2.364 -16.077 3.839 516 HG SER 64 HG SER 64 2.296 -13.614 2.413 517 HA PRO 65 HA PRO 65 -1.146 -19.512 2.227 518 HB2 PRO 65 2HB PRO 65 0.241 -21.083 4.068 519 HB3 PRO 65 3HB PRO 65 0.370 -21.188 2.311 520 HG2 PRO 65 2HG PRO 65 2.143 -19.791 4.262 521 HG3 PRO 65 3HG PRO 65 2.570 -20.676 2.785 522 HD2 PRO 65 2HD PRO 65 2.562 -18.001 2.840 523 HD3 PRO 65 3HD PRO 65 2.011 -18.894 1.406 524 H VAL 66 H VAL 66 -2.916 -18.991 3.306 525 HA VAL 66 HA VAL 66 -2.768 -18.840 6.239 526 HB VAL 66 HB VAL 66 -4.953 -17.548 6.075 527 HG11 VAL 66 1HG1 VAL 66 -2.824 -16.502 6.659 528 HG12 VAL 66 2HG1 VAL 66 -3.819 -15.417 5.687 529 HG13 VAL 66 3HG1 VAL 66 -2.464 -16.271 4.948 530 HG21 VAL 66 3HG2 VAL 66 -5.494 -18.069 3.745 531 HG22 VAL 66 1HG2 VAL 66 -4.052 -17.206 3.212 532 HG23 VAL 66 2HG2 VAL 66 -5.367 -16.326 3.992 533 HA PRO 67 HA PRO 67 -4.901 -22.727 5.744 534 HB2 PRO 67 2HB PRO 67 -4.961 -22.643 8.693 535 HB3 PRO 67 3HB PRO 67 -4.241 -23.845 7.619 536 HG2 PRO 67 2HG PRO 67 -2.722 -22.157 9.035 537 HG3 PRO 67 3HG PRO 67 -2.267 -22.659 7.395 538 HD2 PRO 67 2HD PRO 67 -3.538 -20.106 8.313 539 HD3 PRO 67 3HD PRO 67 -2.242 -20.352 7.123 540 H GLY 68 H GLY 68 -5.966 -20.802 8.555 541 HA2 GLY 68 2HA GLY 68 -8.688 -20.806 7.453 542 HA3 GLY 68 3HA GLY 68 -8.423 -21.423 9.081 543 H ALA 69 H ALA 69 -8.885 -18.664 7.152 544 HA ALA 69 HA ALA 69 -8.879 -16.987 9.539 545 HB1 ALA 69 3HB ALA 69 -7.603 -15.221 8.463 546 HB2 ALA 69 1HB ALA 69 -7.406 -16.219 7.020 547 HB3 ALA 69 2HB ALA 69 -6.651 -16.703 8.538 548 HA PRO 70 HA PRO 70 -12.557 -15.485 7.506 549 HB2 PRO 70 2HB PRO 70 -12.952 -13.243 8.989 550 HB3 PRO 70 3HB PRO 70 -13.329 -14.865 9.581 551 HG2 PRO 70 2HG PRO 70 -10.951 -13.147 10.143 552 HG3 PRO 70 3HG PRO 70 -11.865 -14.194 11.244 553 HD2 PRO 70 2HD PRO 70 -9.476 -14.898 10.133 554 HD3 PRO 70 3HD PRO 70 -10.720 -16.073 10.600 555 H LYS 71 H LYS 71 -11.590 -15.021 5.512 556 HA LYS 71 HA LYS 71 -10.346 -12.365 5.218 557 HB2 LYS 71 2HB LYS 71 -9.083 -14.565 4.691 558 HB3 LYS 71 3HB LYS 71 -10.105 -14.640 3.264 559 HG2 LYS 71 2HG LYS 71 -9.259 -12.395 2.617 560 HG3 LYS 71 3HG LYS 71 -8.133 -12.487 3.972 561 HD2 LYS 71 2HD LYS 71 -6.953 -13.185 2.022 562 HD3 LYS 71 3HD LYS 71 -7.269 -14.630 2.985 563 HE2 LYS 71 2HE LYS 71 -7.702 -15.066 0.635 564 HE3 LYS 71 3HE LYS 71 -9.200 -15.142 1.563 565 HZ1 LYS 71 3HZ LYS 71 -8.285 -12.843 -0.083 566 HZ2 LYS 71 1HZ LYS 71 -9.704 -12.882 0.840 567 HZ3 LYS 71 2HZ LYS 71 -9.534 -13.923 -0.484 568 H ALA 72 H ALA 72 -13.180 -12.874 5.268 569 HA ALA 72 HA ALA 72 -14.403 -13.043 2.776 570 HB1 ALA 72 3HB ALA 72 -15.321 -11.516 5.211 571 HB2 ALA 72 1HB ALA 72 -15.616 -13.224 4.885 572 HB3 ALA 72 2HB ALA 72 -16.332 -11.992 3.846 573 HA PRO 73 HA PRO 73 -13.100 -9.144 1.028 574 HB2 PRO 73 2HB PRO 73 -14.901 -9.750 -1.183 575 HB3 PRO 73 3HB PRO 73 -13.138 -9.680 -1.175 576 HG2 PRO 73 2HG PRO 73 -14.526 -11.998 -1.463 577 HG3 PRO 73 3HG PRO 73 -12.920 -11.916 -0.718 578 HD2 PRO 73 2HD PRO 73 -15.608 -12.113 0.588 579 HD3 PRO 73 3HD PRO 73 -14.081 -12.918 1.014 580 H ALA 74 H ALA 74 -14.385 -8.123 2.769 581 HA ALA 74 HA ALA 74 -17.137 -7.452 2.170 582 HB1 ALA 74 3HB ALA 74 -16.474 -7.940 4.462 583 HB2 ALA 74 1HB ALA 74 -17.091 -6.294 4.325 584 HB3 ALA 74 2HB ALA 74 -15.354 -6.579 4.439 585 H ALA 75 H ALA 75 -14.520 -6.416 0.763 586 HA ALA 75 HA ALA 75 -15.367 -3.600 0.696 587 HB1 ALA 75 3HB ALA 75 -13.091 -2.994 0.106 588 HB2 ALA 75 1HB ALA 75 -12.609 -4.690 0.139 589 HB3 ALA 75 2HB ALA 75 -13.104 -3.886 1.628 Start of MODEL 4 1 H1 MET 1 1H MET 1 -20.870 4.125 -37.569 2 H2 MET 1 2H MET 1 -21.592 3.195 -38.787 3 H3 MET 1 3H MET 1 -21.283 2.507 -37.272 4 HA MET 1 HA MET 1 -23.180 4.707 -37.828 5 HB2 MET 1 2HB MET 1 -23.508 1.755 -37.433 6 HB3 MET 1 3HB MET 1 -24.779 2.843 -36.893 7 HG2 MET 1 2HG MET 1 -25.238 1.971 -39.106 8 HG3 MET 1 3HG MET 1 -25.014 3.717 -39.144 9 HE1 MET 1 3HE MET 1 -24.756 3.634 -41.791 10 HE2 MET 1 1HE MET 1 -25.009 1.889 -41.731 11 HE3 MET 1 2HE MET 1 -23.640 2.551 -42.623 12 H GLY 2 H GLY 2 -22.277 2.248 -35.398 13 HA2 GLY 2 2HA GLY 2 -23.034 4.204 -33.327 14 HA3 GLY 2 3HA GLY 2 -23.038 2.459 -33.114 15 H HIS 3 H HIS 3 -21.791 2.962 -31.186 16 HA HIS 3 HA HIS 3 -19.146 4.018 -31.410 17 HB2 HIS 3 2HB HIS 3 -20.567 2.502 -29.220 18 HB3 HIS 3 3HB HIS 3 -18.895 3.029 -29.075 19 HD1 HIS 3 HD1 HIS 3 -22.390 4.229 -28.887 20 HD2 HIS 3 HD2 HIS 3 -18.554 5.838 -28.873 21 HE1 HIS 3 HE1 HIS 3 -22.642 6.590 -28.054 22 HE2 HIS 3 HE2 HIS 3 -20.288 7.483 -27.885 23 H HIS 4 H HIS 4 -17.286 3.033 -31.805 24 HA HIS 4 HA HIS 4 -17.284 0.181 -32.388 25 HB2 HIS 4 2HB HIS 4 -15.030 2.202 -32.570 26 HB3 HIS 4 3HB HIS 4 -14.989 0.553 -33.182 27 HD1 HIS 4 HD1 HIS 4 -15.769 3.956 -34.168 28 HD2 HIS 4 HD2 HIS 4 -16.913 0.145 -35.380 29 HE1 HIS 4 HE1 HIS 4 -16.786 4.247 -36.450 30 HE2 HIS 4 HE2 HIS 4 -17.636 1.961 -37.078 31 H HIS 5 H HIS 5 -16.196 2.480 -30.032 32 HA HIS 5 HA HIS 5 -15.130 0.311 -28.357 33 HB2 HIS 5 2HB HIS 5 -14.890 3.321 -28.151 34 HB3 HIS 5 3HB HIS 5 -14.389 2.233 -26.864 35 HD1 HIS 5 HD1 HIS 5 -12.436 0.497 -27.561 36 HD2 HIS 5 HD2 HIS 5 -12.995 3.788 -30.044 37 HE1 HIS 5 HE1 HIS 5 -10.309 0.712 -28.892 38 HE2 HIS 5 HE2 HIS 5 -10.728 2.623 -30.488 39 H HIS 6 H HIS 6 -16.763 -0.636 -27.278 40 HA HIS 6 HA HIS 6 -19.131 0.796 -26.530 41 HB2 HIS 6 2HB HIS 6 -18.930 -1.708 -27.100 42 HB3 HIS 6 3HB HIS 6 -18.320 -1.906 -25.461 43 HD1 HIS 6 HD1 HIS 6 -21.400 -1.698 -27.393 44 HD2 HIS 6 HD2 HIS 6 -20.282 -1.123 -23.426 45 HE1 HIS 6 HE1 HIS 6 -23.537 -1.766 -26.067 46 HE2 HIS 6 HE2 HIS 6 -22.810 -1.626 -23.658 47 H HIS 7 H HIS 7 -16.290 -0.457 -24.838 48 HA HIS 7 HA HIS 7 -16.978 1.298 -22.567 49 HB2 HIS 7 2HB HIS 7 -15.216 -1.149 -22.715 50 HB3 HIS 7 3HB HIS 7 -15.144 -0.022 -21.367 51 HD1 HIS 7 HD1 HIS 7 -16.925 -0.214 -19.580 52 HD2 HIS 7 HD2 HIS 7 -17.679 -2.597 -22.909 53 HE1 HIS 7 HE1 HIS 7 -18.850 -1.704 -18.936 54 HE2 HIS 7 HE2 HIS 7 -19.405 -2.995 -21.028 55 H HIS 8 H HIS 8 -15.571 2.917 -21.998 56 HA HIS 8 HA HIS 8 -13.333 3.306 -23.872 57 HB2 HIS 8 2HB HIS 8 -15.360 5.002 -23.528 58 HB3 HIS 8 3HB HIS 8 -14.352 5.549 -22.191 59 HD1 HIS 8 HD1 HIS 8 -14.791 5.829 -25.790 60 HD2 HIS 8 HD2 HIS 8 -11.715 6.457 -23.062 61 HE1 HIS 8 HE1 HIS 8 -13.086 7.228 -27.003 62 HE2 HIS 8 HE2 HIS 8 -11.137 7.385 -25.415 63 H SER 9 H SER 9 -11.909 1.996 -22.641 64 HA SER 9 HA SER 9 -10.473 3.446 -20.640 65 HB2 SER 9 2HB SER 9 -12.376 2.466 -19.312 66 HB3 SER 9 3HB SER 9 -11.784 0.865 -19.752 67 HG SER 9 HG SER 9 -10.977 1.469 -17.730 68 H HIS 10 H HIS 10 -8.475 3.082 -21.326 69 HA HIS 10 HA HIS 10 -7.827 0.411 -22.359 70 HB2 HIS 10 2HB HIS 10 -6.017 1.385 -23.594 71 HB3 HIS 10 3HB HIS 10 -7.454 2.346 -23.902 72 HD1 HIS 10 HD1 HIS 10 -7.435 4.798 -23.105 73 HD2 HIS 10 HD2 HIS 10 -3.964 2.696 -22.195 74 HE1 HIS 10 HE1 HIS 10 -5.763 6.528 -22.365 75 HE2 HIS 10 HE2 HIS 10 -3.612 5.248 -22.035 76 H MET 11 H MET 11 -6.380 -0.842 -21.369 77 HA MET 11 HA MET 11 -4.877 0.324 -19.119 78 HB2 MET 11 2HB MET 11 -6.634 -1.171 -18.305 79 HB3 MET 11 3HB MET 11 -6.049 -2.456 -19.351 80 HG2 MET 11 2HG MET 11 -5.376 -2.757 -17.021 81 HG3 MET 11 3HG MET 11 -3.994 -2.595 -18.105 82 HE1 MET 11 3HE MET 11 -2.739 -0.920 -14.779 83 HE2 MET 11 1HE MET 11 -2.467 -2.206 -15.955 84 HE3 MET 11 2HE MET 11 -3.861 -2.275 -14.875 85 H SER 12 H SER 12 -2.750 0.101 -19.178 86 HA SER 12 HA SER 12 -1.454 -0.927 -21.472 87 HB2 SER 12 2HB SER 12 0.636 -0.461 -20.127 88 HB3 SER 12 3HB SER 12 -0.458 0.916 -20.283 89 HG SER 12 HG SER 12 -0.631 -0.847 -18.087 90 H THR 13 H THR 13 -0.548 -2.855 -21.867 91 HA THR 13 HA THR 13 -1.208 -5.120 -20.338 92 HB THR 13 HB THR 13 0.497 -6.281 -21.819 93 HG1 THR 13 HG1 THR 13 1.674 -4.170 -22.107 94 HG21 THR 13 3HG2 THR 13 -1.862 -6.163 -22.429 95 HG22 THR 13 1HG2 THR 13 -0.846 -6.001 -23.861 96 HG23 THR 13 2HG2 THR 13 -1.611 -4.577 -23.155 97 HA PRO 14 HA PRO 14 2.118 -4.626 -17.383 98 HB2 PRO 14 2HB PRO 14 1.091 -6.151 -15.463 99 HB3 PRO 14 3HB PRO 14 0.333 -4.614 -15.895 100 HG2 PRO 14 2HG PRO 14 -0.472 -7.396 -16.634 101 HG3 PRO 14 3HG PRO 14 -1.490 -6.020 -16.174 102 HD2 PRO 14 2HD PRO 14 -0.974 -6.844 -18.786 103 HD3 PRO 14 3HD PRO 14 -1.581 -5.245 -18.312 104 H LEU 15 H LEU 15 3.590 -6.051 -16.195 105 HA LEU 15 HA LEU 15 4.397 -8.334 -17.773 106 HB2 LEU 15 2HB LEU 15 5.871 -6.515 -16.602 107 HB3 LEU 15 3HB LEU 15 5.635 -7.483 -15.162 108 HG LEU 15 HG LEU 15 7.793 -7.850 -16.433 109 HD11 LEU 15 1HD1 LEU 15 7.788 -10.258 -16.120 110 HD12 LEU 15 2HD1 LEU 15 6.027 -10.253 -16.028 111 HD13 LEU 15 3HD1 LEU 15 6.976 -9.446 -14.781 112 HD21 LEU 15 3HD2 LEU 15 7.684 -9.341 -18.375 113 HD22 LEU 15 1HD2 LEU 15 6.926 -7.780 -18.683 114 HD23 LEU 15 2HD2 LEU 15 5.925 -9.199 -18.371 115 H THR 16 H THR 16 4.330 -10.488 -17.092 116 HA THR 16 HA THR 16 2.198 -11.165 -15.310 117 HB THR 16 HB THR 16 4.069 -13.266 -16.247 118 HG1 THR 16 HG1 THR 16 2.671 -12.867 -18.367 119 HG21 THR 16 3HG2 THR 16 1.073 -12.913 -16.396 120 HG22 THR 16 1HG2 THR 16 1.951 -13.825 -15.167 121 HG23 THR 16 2HG2 THR 16 1.960 -14.369 -16.844 122 H GLY 17 H GLY 17 4.334 -9.814 -13.949 123 HA2 GLY 17 2HA GLY 17 4.982 -11.852 -11.946 124 HA3 GLY 17 3HA GLY 17 6.311 -10.934 -12.644 125 H LYS 18 H LYS 18 3.330 -10.674 -10.808 126 HA LYS 18 HA LYS 18 3.953 -7.934 -10.044 127 HB2 LYS 18 2HB LYS 18 1.600 -9.711 -9.372 128 HB3 LYS 18 3HB LYS 18 1.766 -8.037 -8.864 129 HG2 LYS 18 2HG LYS 18 1.741 -7.314 -11.194 130 HG3 LYS 18 3HG LYS 18 1.603 -8.993 -11.715 131 HD2 LYS 18 2HD LYS 18 -0.392 -7.570 -9.959 132 HD3 LYS 18 3HD LYS 18 -0.563 -7.787 -11.701 133 HE2 LYS 18 2HE LYS 18 -0.616 -10.183 -11.447 134 HE3 LYS 18 3HE LYS 18 -0.268 -10.048 -9.725 135 HZ1 LYS 18 3HZ LYS 18 -2.633 -10.455 -10.237 136 HZ2 LYS 18 1HZ LYS 18 -2.708 -8.953 -11.023 137 HZ3 LYS 18 2HZ LYS 18 -2.384 -9.029 -9.360 138 HA PRO 19 HA PRO 19 6.286 -9.452 -6.569 139 HB2 PRO 19 2HB PRO 19 6.374 -7.017 -5.266 140 HB3 PRO 19 3HB PRO 19 7.499 -7.532 -6.525 141 HG2 PRO 19 2HG PRO 19 5.097 -5.770 -6.729 142 HG3 PRO 19 3HG PRO 19 6.668 -5.630 -7.540 143 HD2 PRO 19 2HD PRO 19 4.502 -6.566 -8.820 144 HD3 PRO 19 3HD PRO 19 6.126 -7.208 -9.143 145 H GLY 20 H GLY 20 5.106 -10.735 -5.258 146 HA2 GLY 20 2HA GLY 20 2.874 -9.648 -3.731 147 HA3 GLY 20 3HA GLY 20 3.416 -11.321 -3.751 148 H ALA 21 H ALA 21 5.702 -8.785 -3.295 149 HA ALA 21 HA ALA 21 5.773 -9.291 -0.402 150 HB1 ALA 21 3HB ALA 21 8.212 -9.183 -0.470 151 HB2 ALA 21 1HB ALA 21 8.166 -8.969 -2.221 152 HB3 ALA 21 2HB ALA 21 7.619 -10.484 -1.503 153 H LEU 22 H LEU 22 6.643 -7.494 0.842 154 HA LEU 22 HA LEU 22 6.316 -4.911 -0.554 155 HB2 LEU 22 2HB LEU 22 5.434 -5.611 2.248 156 HB3 LEU 22 3HB LEU 22 5.293 -4.035 1.499 157 HG LEU 22 HG LEU 22 3.855 -6.528 0.591 158 HD11 LEU 22 1HD1 LEU 22 3.062 -5.707 2.749 159 HD12 LEU 22 2HD1 LEU 22 1.866 -5.446 1.480 160 HD13 LEU 22 3HD1 LEU 22 2.845 -4.098 2.059 161 HD21 LEU 22 3HD2 LEU 22 3.621 -3.664 -0.322 162 HD22 LEU 22 1HD2 LEU 22 2.586 -4.995 -0.836 163 HD23 LEU 22 2HD2 LEU 22 4.300 -5.000 -1.250 164 HA PRO 23 HA PRO 23 10.146 -3.784 1.489 165 HB2 PRO 23 2HB PRO 23 9.929 -1.091 1.328 166 HB3 PRO 23 3HB PRO 23 10.320 -2.092 -0.073 167 HG2 PRO 23 2HG PRO 23 7.710 -0.876 0.715 168 HG3 PRO 23 3HG PRO 23 8.441 -1.018 -0.893 169 HD2 PRO 23 2HD PRO 23 6.481 -2.684 0.030 170 HD3 PRO 23 3HD PRO 23 7.686 -3.159 -1.183 171 H ALA 24 H ALA 24 10.784 -3.147 3.552 172 HA ALA 24 HA ALA 24 8.697 -2.958 5.516 173 HB1 ALA 24 3HB ALA 24 11.682 -2.719 5.868 174 HB2 ALA 24 1HB ALA 24 10.755 -4.218 5.938 175 HB3 ALA 24 2HB ALA 24 10.496 -2.964 7.151 176 H ASN 25 H ASN 25 10.082 -0.707 3.548 177 HA ASN 25 HA ASN 25 10.099 1.462 5.511 178 HB2 ASN 25 2HB ASN 25 10.913 1.497 2.592 179 HB3 ASN 25 3HB ASN 25 11.169 2.790 3.760 180 HD21 ASN 25 1HD2 ASN 25 12.755 2.539 5.359 181 HD22 ASN 25 2HD2 ASN 25 14.002 1.343 5.216 182 H LEU 26 H LEU 26 7.609 0.262 4.766 183 HA LEU 26 HA LEU 26 6.223 1.575 2.738 184 HB2 LEU 26 2HB LEU 26 5.219 0.376 5.313 185 HB3 LEU 26 3HB LEU 26 4.167 0.947 4.032 186 HG LEU 26 HG LEU 26 6.205 -1.258 3.720 187 HD11 LEU 26 1HD1 LEU 26 4.424 -1.941 5.217 188 HD12 LEU 26 2HD1 LEU 26 4.255 -2.747 3.656 189 HD13 LEU 26 3HD1 LEU 26 3.214 -1.383 4.062 190 HD21 LEU 26 3HD2 LEU 26 5.724 -0.033 1.647 191 HD22 LEU 26 1HD2 LEU 26 4.001 -0.322 1.884 192 HD23 LEU 26 2HD2 LEU 26 5.090 -1.677 1.598 193 H ASP 27 H ASP 27 6.890 2.614 6.030 194 HA ASP 27 HA ASP 27 4.985 4.785 5.865 195 HB2 ASP 27 2HB ASP 27 5.480 3.675 8.031 196 HB3 ASP 27 3HB ASP 27 7.120 4.317 7.953 197 H ASP 28 H ASP 28 8.380 4.291 5.294 198 HA ASP 28 HA ASP 28 9.091 7.051 5.118 199 HB2 ASP 28 2HB ASP 28 10.862 5.441 5.405 200 HB3 ASP 28 3HB ASP 28 10.362 4.557 3.968 201 H MET 29 H MET 29 7.735 4.680 2.986 202 HA MET 29 HA MET 29 7.959 6.079 0.551 203 HB2 MET 29 2HB MET 29 5.923 4.041 1.475 204 HB3 MET 29 3HB MET 29 6.079 4.610 -0.182 205 HG2 MET 29 2HG MET 29 8.274 3.669 -0.360 206 HG3 MET 29 3HG MET 29 8.276 3.240 1.349 207 HE1 MET 29 3HE MET 29 5.262 2.905 -1.160 208 HE2 MET 29 1HE MET 29 5.513 1.271 -1.780 209 HE3 MET 29 2HE MET 29 6.671 2.545 -2.160 210 H LYS 30 H LYS 30 6.505 7.409 -0.513 211 HA LYS 30 HA LYS 30 4.911 9.057 1.271 212 HB2 LYS 30 2HB LYS 30 5.207 9.400 -1.711 213 HB3 LYS 30 3HB LYS 30 4.767 10.616 -0.519 214 HG2 LYS 30 2HG LYS 30 6.989 10.647 0.361 215 HG3 LYS 30 3HG LYS 30 7.459 9.290 -0.668 216 HD2 LYS 30 2HD LYS 30 6.772 10.777 -2.630 217 HD3 LYS 30 3HD LYS 30 6.782 12.103 -1.467 218 HE2 LYS 30 2HE LYS 30 8.892 11.966 -2.658 219 HE3 LYS 30 3HE LYS 30 9.114 11.634 -0.943 220 HZ1 LYS 30 3HZ LYS 30 10.328 10.108 -2.470 221 HZ2 LYS 30 1HZ LYS 30 8.835 9.508 -2.993 222 HZ3 LYS 30 2HZ LYS 30 9.300 9.321 -1.375 223 H VAL 31 H VAL 31 2.806 9.912 0.091 224 HA VAL 31 HA VAL 31 0.981 7.747 0.073 225 HB VAL 31 HB VAL 31 0.578 10.572 -0.941 226 HG11 VAL 31 1HG1 VAL 31 -1.797 10.176 -0.622 227 HG12 VAL 31 2HG1 VAL 31 -1.468 8.523 -0.102 228 HG13 VAL 31 3HG1 VAL 31 -1.128 9.009 -1.763 229 HG21 VAL 31 3HG2 VAL 31 1.295 10.516 1.389 230 HG22 VAL 31 1HG2 VAL 31 0.018 9.358 1.762 231 HG23 VAL 31 2HG2 VAL 31 -0.398 10.999 1.267 232 H ALA 32 H ALA 32 2.795 9.342 -2.422 233 HA ALA 32 HA ALA 32 1.246 8.538 -4.648 234 HB1 ALA 32 3HB ALA 32 3.142 9.194 -5.993 235 HB2 ALA 32 1HB ALA 32 4.183 9.206 -4.569 236 HB3 ALA 32 2HB ALA 32 2.874 10.380 -4.716 237 H GLU 33 H GLU 33 4.400 7.267 -3.507 238 HA GLU 33 HA GLU 33 4.392 5.050 -5.230 239 HB2 GLU 33 2HB GLU 33 5.997 4.105 -3.347 240 HB3 GLU 33 3HB GLU 33 6.503 5.373 -4.447 241 HG2 GLU 33 2HG GLU 33 5.249 6.158 -1.881 242 HG3 GLU 33 3HG GLU 33 6.891 5.513 -1.849 243 H LEU 34 H LEU 34 3.005 5.448 -2.020 244 HA LEU 34 HA LEU 34 2.420 2.739 -1.525 245 HB2 LEU 34 2HB LEU 34 1.004 5.257 -0.669 246 HB3 LEU 34 3HB LEU 34 0.531 3.663 -0.118 247 HG LEU 34 HG LEU 34 3.210 4.966 0.375 248 HD11 LEU 34 1HD1 LEU 34 2.479 5.088 2.691 249 HD12 LEU 34 2HD1 LEU 34 0.916 4.404 2.246 250 HD13 LEU 34 3HD1 LEU 34 1.391 5.990 1.637 251 HD21 LEU 34 3HD2 LEU 34 2.093 2.324 1.317 252 HD22 LEU 34 1HD2 LEU 34 3.598 3.055 1.876 253 HD23 LEU 34 2HD2 LEU 34 3.434 2.556 0.193 254 H LYS 35 H LYS 35 0.588 5.260 -3.217 255 HA LYS 35 HA LYS 35 -1.616 3.600 -3.861 256 HB2 LYS 35 2HB LYS 35 -0.596 6.174 -5.055 257 HB3 LYS 35 3HB LYS 35 -2.044 5.365 -5.642 258 HG2 LYS 35 2HG LYS 35 -3.066 5.566 -3.443 259 HG3 LYS 35 3HG LYS 35 -1.604 6.344 -2.829 260 HD2 LYS 35 2HD LYS 35 -1.923 8.203 -4.351 261 HD3 LYS 35 3HD LYS 35 -3.332 7.409 -5.061 262 HE2 LYS 35 2HE LYS 35 -4.505 7.528 -2.940 263 HE3 LYS 35 3HE LYS 35 -3.083 8.233 -2.171 264 HZ1 LYS 35 3HZ LYS 35 -4.624 9.487 -4.382 265 HZ2 LYS 35 1HZ LYS 35 -3.305 10.173 -3.560 266 HZ3 LYS 35 2HZ LYS 35 -4.760 9.886 -2.742 267 H GLN 36 H GLN 36 1.441 4.308 -5.467 268 HA GLN 36 HA GLN 36 0.961 2.992 -7.887 269 HB2 GLN 36 2HB GLN 36 3.507 3.317 -6.295 270 HB3 GLN 36 3HB GLN 36 3.462 2.617 -7.907 271 HG2 GLN 36 2HG GLN 36 2.513 5.389 -7.219 272 HG3 GLN 36 3HG GLN 36 4.100 5.001 -7.878 273 HE21 GLN 36 1HE2 GLN 36 3.168 2.938 -9.645 274 HE22 GLN 36 2HE2 GLN 36 2.309 3.716 -10.933 275 H GLU 37 H GLU 37 2.264 1.739 -4.835 276 HA GLU 37 HA GLU 37 2.607 -0.922 -5.608 277 HB2 GLU 37 2HB GLU 37 1.985 0.312 -2.924 278 HB3 GLU 37 3HB GLU 37 2.350 -1.396 -3.132 279 HG2 GLU 37 2HG GLU 37 4.177 0.886 -3.848 280 HG3 GLU 37 3HG GLU 37 4.295 -0.116 -2.401 281 H LEU 38 H LEU 38 -0.261 0.811 -4.626 282 HA LEU 38 HA LEU 38 -1.871 -1.538 -4.309 283 HB2 LEU 38 2HB LEU 38 -2.560 1.385 -4.543 284 HB3 LEU 38 3HB LEU 38 -3.760 0.130 -4.304 285 HG LEU 38 HG LEU 38 -1.485 0.643 -2.390 286 HD11 LEU 38 1HD1 LEU 38 -4.345 1.577 -2.248 287 HD12 LEU 38 2HD1 LEU 38 -2.929 2.596 -2.502 288 HD13 LEU 38 3HD1 LEU 38 -3.138 1.743 -0.973 289 HD21 LEU 38 3HD2 LEU 38 -2.377 -1.600 -2.251 290 HD22 LEU 38 1HD2 LEU 38 -4.024 -0.975 -2.172 291 HD23 LEU 38 2HD2 LEU 38 -2.898 -0.667 -0.849 292 H LYS 39 H LYS 39 -1.740 1.048 -6.764 293 HA LYS 39 HA LYS 39 -3.784 -0.059 -8.362 294 HB2 LYS 39 2HB LYS 39 -3.082 1.556 -10.072 295 HB3 LYS 39 3HB LYS 39 -3.220 2.295 -8.484 296 HG2 LYS 39 2HG LYS 39 -0.710 1.987 -8.280 297 HG3 LYS 39 3HG LYS 39 -0.724 1.611 -10.004 298 HD2 LYS 39 2HD LYS 39 -1.786 4.151 -8.769 299 HD3 LYS 39 3HD LYS 39 -0.212 3.982 -9.547 300 HE2 LYS 39 2HE LYS 39 -1.234 3.534 -11.664 301 HE3 LYS 39 3HE LYS 39 -2.836 3.438 -10.928 302 HZ1 LYS 39 3HZ LYS 39 -2.834 5.736 -10.496 303 HZ2 LYS 39 1HZ LYS 39 -2.278 5.582 -12.091 304 HZ3 LYS 39 2HZ LYS 39 -1.183 5.899 -10.836 305 H LEU 40 H LEU 40 -0.345 -0.639 -8.280 306 HA LEU 40 HA LEU 40 -0.266 -1.963 -10.828 307 HB2 LEU 40 2HB LEU 40 1.681 -1.920 -8.526 308 HB3 LEU 40 3HB LEU 40 1.990 -2.739 -10.044 309 HG LEU 40 HG LEU 40 1.574 0.231 -9.685 310 HD11 LEU 40 1HD1 LEU 40 3.927 0.388 -10.343 311 HD12 LEU 40 2HD1 LEU 40 4.035 -1.373 -10.362 312 HD13 LEU 40 3HD1 LEU 40 3.722 -0.524 -8.848 313 HD21 LEU 40 3HD2 LEU 40 0.688 -0.554 -11.822 314 HD22 LEU 40 1HD2 LEU 40 2.225 -1.348 -12.171 315 HD23 LEU 40 2HD2 LEU 40 2.149 0.410 -12.048 316 H ARG 41 H ARG 41 -1.454 -2.824 -7.816 317 HA ARG 41 HA ARG 41 -1.239 -5.691 -8.472 318 HB2 ARG 41 2HB ARG 41 -1.465 -4.332 -5.784 319 HB3 ARG 41 3HB ARG 41 -1.653 -6.064 -6.017 320 HG2 ARG 41 2HG ARG 41 0.620 -6.244 -6.813 321 HG3 ARG 41 3HG ARG 41 0.819 -4.494 -6.722 322 HD2 ARG 41 2HD ARG 41 0.510 -4.561 -4.314 323 HD3 ARG 41 3HD ARG 41 0.232 -6.299 -4.383 324 HE ARG 41 HE ARG 41 2.531 -6.624 -4.871 325 HH11 ARG 41 1HH1 ARG 41 1.722 -3.274 -4.265 326 HH12 ARG 41 2HH1 ARG 41 3.360 -2.827 -3.863 327 HH21 ARG 41 1HH2 ARG 41 4.671 -6.019 -4.310 328 HH22 ARG 41 2HH2 ARG 41 5.010 -4.365 -3.887 329 H SER 42 H SER 42 -3.239 -3.395 -9.055 330 HA SER 42 HA SER 42 -5.465 -3.220 -9.466 331 HB2 SER 42 2HB SER 42 -5.533 -6.164 -8.761 332 HB3 SER 42 3HB SER 42 -6.812 -5.273 -9.584 333 HG SER 42 HG SER 42 -4.624 -4.794 -10.938 334 H LEU 43 H LEU 43 -4.490 -2.540 -6.916 335 HA LEU 43 HA LEU 43 -6.747 -3.203 -5.146 336 HB2 LEU 43 2HB LEU 43 -3.975 -2.148 -4.611 337 HB3 LEU 43 3HB LEU 43 -5.231 -2.151 -3.390 338 HG LEU 43 HG LEU 43 -4.446 -4.696 -4.767 339 HD11 LEU 43 1HD1 LEU 43 -2.883 -5.119 -2.930 340 HD12 LEU 43 2HD1 LEU 43 -3.142 -3.480 -2.335 341 HD13 LEU 43 3HD1 LEU 43 -2.378 -3.738 -3.903 342 HD21 LEU 43 3HD2 LEU 43 -5.235 -5.655 -2.650 343 HD22 LEU 43 1HD2 LEU 43 -6.487 -4.703 -3.448 344 HD23 LEU 43 2HD2 LEU 43 -5.611 -4.031 -2.069 345 HA PRO 44 HA PRO 44 -8.305 0.968 -5.535 346 HB2 PRO 44 2HB PRO 44 -9.016 0.805 -2.674 347 HB3 PRO 44 3HB PRO 44 -10.062 1.031 -4.078 348 HG2 PRO 44 2HG PRO 44 -10.031 -1.276 -2.726 349 HG3 PRO 44 3HG PRO 44 -10.229 -1.238 -4.489 350 HD2 PRO 44 2HD PRO 44 -7.784 -1.856 -2.871 351 HD3 PRO 44 3HD PRO 44 -8.397 -2.657 -4.334 352 H VAL 45 H VAL 45 -7.268 2.863 -5.410 353 HA VAL 45 HA VAL 45 -4.967 3.033 -3.610 354 HB VAL 45 HB VAL 45 -4.209 4.880 -5.016 355 HG11 VAL 45 1HG1 VAL 45 -5.080 2.463 -6.588 356 HG12 VAL 45 2HG1 VAL 45 -3.590 2.633 -5.660 357 HG13 VAL 45 3HG1 VAL 45 -3.853 3.623 -7.097 358 HG21 VAL 45 3HG2 VAL 45 -5.423 5.513 -7.039 359 HG22 VAL 45 1HG2 VAL 45 -6.385 5.836 -5.597 360 HG23 VAL 45 2HG2 VAL 45 -6.737 4.425 -6.597 361 H SER 46 H SER 46 -8.026 3.767 -3.205 362 HA SER 46 HA SER 46 -7.784 6.525 -2.360 363 HB2 SER 46 2HB SER 46 -10.096 4.591 -2.055 364 HB3 SER 46 3HB SER 46 -10.159 6.337 -1.805 365 HG SER 46 HG SER 46 -9.137 5.604 -4.246 366 H GLY 47 H GLY 47 -7.713 7.264 -0.268 367 HA2 GLY 47 2HA GLY 47 -8.277 6.485 2.119 368 HA3 GLY 47 3HA GLY 47 -7.113 5.217 1.765 369 H THR 48 H THR 48 -6.584 6.659 3.908 370 HA THR 48 HA THR 48 -4.785 8.842 3.224 371 HB THR 48 HB THR 48 -4.455 8.972 5.714 372 HG1 THR 48 HG1 THR 48 -6.591 7.073 5.782 373 HG21 THR 48 3HG2 THR 48 -7.302 9.086 4.713 374 HG22 THR 48 1HG2 THR 48 -6.108 10.378 4.603 375 HG23 THR 48 2HG2 THR 48 -6.703 9.860 6.181 376 H LYS 49 H LYS 49 -2.736 8.688 4.941 377 HA LYS 49 HA LYS 49 -0.879 7.135 3.596 378 HB2 LYS 49 2HB LYS 49 -0.228 9.034 4.929 379 HB3 LYS 49 3HB LYS 49 -0.792 8.257 6.399 380 HG2 LYS 49 2HG LYS 49 1.540 8.065 6.440 381 HG3 LYS 49 3HG LYS 49 0.951 6.476 5.955 382 HD2 LYS 49 2HD LYS 49 1.420 7.012 3.617 383 HD3 LYS 49 3HD LYS 49 1.993 8.611 4.098 384 HE2 LYS 49 2HE LYS 49 3.210 5.952 4.848 385 HE3 LYS 49 3HE LYS 49 3.884 7.145 3.739 386 HZ1 LYS 49 3HZ LYS 49 3.824 8.700 5.757 387 HZ2 LYS 49 1HZ LYS 49 5.019 7.494 5.720 388 HZ3 LYS 49 2HZ LYS 49 3.642 7.290 6.678 389 H THR 50 H THR 50 -2.061 6.494 6.912 390 HA THR 50 HA THR 50 -0.794 4.017 7.172 391 HB THR 50 HB THR 50 -3.346 4.833 8.566 392 HG1 THR 50 HG1 THR 50 -1.818 5.653 10.171 393 HG21 THR 50 3HG2 THR 50 -1.088 3.021 9.430 394 HG22 THR 50 1HG2 THR 50 -2.682 2.490 8.890 395 HG23 THR 50 2HG2 THR 50 -2.521 3.420 10.380 396 H GLU 51 H GLU 51 -3.973 4.837 5.876 397 HA GLU 51 HA GLU 51 -5.047 2.228 5.886 398 HB2 GLU 51 2HB GLU 51 -5.711 4.615 4.160 399 HB3 GLU 51 3HB GLU 51 -6.659 3.134 4.213 400 HG2 GLU 51 2HG GLU 51 -7.098 3.494 6.584 401 HG3 GLU 51 3HG GLU 51 -6.149 4.979 6.533 402 H LEU 52 H LEU 52 -3.292 4.053 3.397 403 HA LEU 52 HA LEU 52 -3.462 2.113 1.363 404 HB2 LEU 52 2HB LEU 52 -1.196 4.046 1.851 405 HB3 LEU 52 3HB LEU 52 -1.582 3.258 0.335 406 HG LEU 52 HG LEU 52 -3.264 5.343 1.733 407 HD11 LEU 52 1HD1 LEU 52 -1.250 6.249 0.723 408 HD12 LEU 52 2HD1 LEU 52 -2.681 6.746 -0.179 409 HD13 LEU 52 3HD1 LEU 52 -1.642 5.465 -0.805 410 HD21 LEU 52 3HD2 LEU 52 -4.653 3.715 0.559 411 HD22 LEU 52 1HD2 LEU 52 -3.706 3.955 -0.909 412 HD23 LEU 52 2HD2 LEU 52 -4.673 5.276 -0.257 413 H ILE 53 H ILE 53 -1.060 2.679 3.886 414 HA ILE 53 HA ILE 53 0.750 0.636 3.248 415 HB ILE 53 HB ILE 53 0.039 1.689 5.993 416 HG12 ILE 53 2HG1 ILE 53 2.195 2.614 4.074 417 HG13 ILE 53 3HG1 ILE 53 0.692 3.473 4.392 418 HG21 ILE 53 1HG2 ILE 53 2.544 0.310 5.023 419 HG22 ILE 53 2HG2 ILE 53 1.316 -0.391 6.076 420 HG23 ILE 53 3HG2 ILE 53 2.285 0.970 6.637 421 HD11 ILE 53 3HD1 ILE 53 1.361 3.745 6.735 422 HD12 ILE 53 1HD1 ILE 53 2.518 4.469 5.617 423 HD13 ILE 53 2HD1 ILE 53 2.881 2.924 6.381 424 H GLU 54 H GLU 54 -2.044 0.652 5.430 425 HA GLU 54 HA GLU 54 -1.660 -1.942 6.418 426 HB2 GLU 54 2HB GLU 54 -3.003 -0.001 7.385 427 HB3 GLU 54 3HB GLU 54 -4.289 -0.490 6.287 428 HG2 GLU 54 2HG GLU 54 -4.612 -1.397 8.496 429 HG3 GLU 54 3HG GLU 54 -4.355 -2.671 7.310 430 H ARG 55 H ARG 55 -3.652 -0.687 3.752 431 HA ARG 55 HA ARG 55 -5.001 -3.086 3.177 432 HB2 ARG 55 2HB ARG 55 -5.571 -0.829 2.220 433 HB3 ARG 55 3HB ARG 55 -4.190 -0.999 1.141 434 HG2 ARG 55 2HG ARG 55 -5.215 -3.118 0.305 435 HG3 ARG 55 3HG ARG 55 -6.648 -2.725 1.251 436 HD2 ARG 55 2HD ARG 55 -5.463 -1.061 -0.964 437 HD3 ARG 55 3HD ARG 55 -6.911 -2.058 -1.072 438 HE ARG 55 HE ARG 55 -6.635 0.489 0.358 439 HH11 ARG 55 1HH1 ARG 55 -8.659 -2.253 -0.472 440 HH12 ARG 55 2HH1 ARG 55 -10.148 -1.364 -0.307 441 HH21 ARG 55 1HH2 ARG 55 -8.564 1.653 0.589 442 HH22 ARG 55 2HH2 ARG 55 -10.094 0.875 0.308 443 H LEU 56 H LEU 56 -1.906 -1.808 2.028 444 HA LEU 56 HA LEU 56 -1.229 -3.873 0.267 445 HB2 LEU 56 2HB LEU 56 0.472 -2.083 1.993 446 HB3 LEU 56 3HB LEU 56 1.164 -3.248 0.882 447 HG LEU 56 HG LEU 56 -0.678 -1.004 0.054 448 HD11 LEU 56 1HD1 LEU 56 1.340 0.071 -0.816 449 HD12 LEU 56 2HD1 LEU 56 2.326 -1.217 -0.122 450 HD13 LEU 56 3HD1 LEU 56 1.425 -0.131 0.935 451 HD21 LEU 56 3HD2 LEU 56 0.092 -1.561 -2.200 452 HD22 LEU 56 1HD2 LEU 56 -0.709 -2.938 -1.440 453 HD23 LEU 56 2HD2 LEU 56 1.052 -2.889 -1.547 454 H ARG 57 H ARG 57 -0.621 -3.518 3.728 455 HA ARG 57 HA ARG 57 0.799 -5.897 4.123 456 HB2 ARG 57 2HB ARG 57 -0.882 -4.195 5.950 457 HB3 ARG 57 3HB ARG 57 -0.042 -5.631 6.525 458 HG2 ARG 57 2HG ARG 57 1.993 -4.664 6.396 459 HG3 ARG 57 3HG ARG 57 1.566 -3.687 4.993 460 HD2 ARG 57 2HD ARG 57 1.976 -2.336 7.014 461 HD3 ARG 57 3HD ARG 57 0.344 -2.146 6.380 462 HE ARG 57 HE ARG 57 -0.471 -3.485 8.200 463 HH11 ARG 57 1HH1 ARG 57 2.894 -2.544 8.432 464 HH12 ARG 57 2HH1 ARG 57 2.967 -2.697 10.158 465 HH21 ARG 57 1HH2 ARG 57 -0.404 -3.657 10.478 466 HH22 ARG 57 2HH2 ARG 57 1.068 -3.272 11.329 467 H ALA 58 H ALA 58 -2.683 -5.233 4.353 468 HA ALA 58 HA ALA 58 -3.415 -7.842 5.167 469 HB1 ALA 58 3HB ALA 58 -5.089 -5.816 3.688 470 HB2 ALA 58 1HB ALA 58 -4.872 -5.882 5.437 471 HB3 ALA 58 2HB ALA 58 -5.685 -7.204 4.599 472 H TYR 59 H TYR 59 -2.918 -6.375 2.024 473 HA TYR 59 HA TYR 59 -3.998 -8.515 0.489 474 HB2 TYR 59 2HB TYR 59 -3.751 -6.270 -0.451 475 HB3 TYR 59 3HB TYR 59 -2.004 -6.358 -0.257 476 HD1 TYR 59 HD2 TYR 59 -4.858 -7.951 -2.035 477 HD2 TYR 59 HD1 TYR 59 -0.669 -7.224 -1.966 478 HE1 TYR 59 HE2 TYR 59 -4.663 -8.905 -4.295 479 HE2 TYR 59 HE1 TYR 59 -0.458 -8.172 -4.225 480 HH TYR 59 HH TYR 59 -3.075 -8.717 -6.257 481 H GLN 60 H GLN 60 -0.739 -7.653 1.556 482 HA GLN 60 HA GLN 60 0.578 -9.793 0.231 483 HB2 GLN 60 2HB GLN 60 1.504 -7.564 1.218 484 HB3 GLN 60 3HB GLN 60 1.611 -8.461 2.722 485 HG2 GLN 60 2HG GLN 60 2.898 -9.418 0.190 486 HG3 GLN 60 3HG GLN 60 3.699 -8.310 1.297 487 HE21 GLN 60 1HE2 GLN 60 4.398 -11.017 0.472 488 HE22 GLN 60 2HE2 GLN 60 4.512 -11.942 1.931 489 H ASP 61 H ASP 61 -0.883 -9.370 3.378 490 HA ASP 61 HA ASP 61 0.149 -11.633 4.686 491 HB2 ASP 61 2HB ASP 61 -1.058 -9.643 5.703 492 HB3 ASP 61 3HB ASP 61 -2.560 -10.387 5.172 493 H GLN 62 H GLN 62 -2.786 -11.184 2.742 494 HA GLN 62 HA GLN 62 -3.804 -13.795 3.315 495 HB2 GLN 62 2HB GLN 62 -5.514 -13.283 1.631 496 HB3 GLN 62 3HB GLN 62 -5.326 -11.971 2.786 497 HG2 GLN 62 2HG GLN 62 -3.898 -10.796 1.129 498 HG3 GLN 62 3HG GLN 62 -4.270 -12.072 -0.031 499 HE21 GLN 62 1HE2 GLN 62 -5.517 -9.379 1.774 500 HE22 GLN 62 2HE2 GLN 62 -6.969 -9.174 0.849 501 H ILE 63 H ILE 63 -1.458 -12.632 1.138 502 HA ILE 63 HA ILE 63 -1.787 -14.813 -0.752 503 HB ILE 63 HB ILE 63 0.369 -12.700 -0.537 504 HG12 ILE 63 2HG1 ILE 63 -1.936 -13.006 -2.478 505 HG13 ILE 63 3HG1 ILE 63 -1.860 -11.840 -1.161 506 HG21 ILE 63 1HG2 ILE 63 -0.112 -14.728 -2.723 507 HG22 ILE 63 2HG2 ILE 63 1.231 -14.743 -1.581 508 HG23 ILE 63 3HG2 ILE 63 1.089 -13.437 -2.757 509 HD11 ILE 63 3HD1 ILE 63 -0.005 -11.936 -3.532 510 HD12 ILE 63 1HD1 ILE 63 0.048 -10.758 -2.219 511 HD13 ILE 63 2HD1 ILE 63 -1.343 -10.810 -3.302 512 H SER 64 H SER 64 0.422 -13.823 1.813 513 HA SER 64 HA SER 64 2.245 -15.978 1.468 514 HB2 SER 64 2HB SER 64 1.780 -14.240 3.904 515 HB3 SER 64 3HB SER 64 3.216 -15.208 3.566 516 HG SER 64 HG SER 64 2.357 -12.806 2.404 517 HA PRO 65 HA PRO 65 0.096 -19.175 3.724 518 HB2 PRO 65 2HB PRO 65 2.761 -20.213 4.424 519 HB3 PRO 65 3HB PRO 65 1.481 -20.971 3.474 520 HG2 PRO 65 2HG PRO 65 3.748 -20.078 2.334 521 HG3 PRO 65 3HG PRO 65 2.184 -19.998 1.499 522 HD2 PRO 65 2HD PRO 65 3.688 -17.828 2.922 523 HD3 PRO 65 3HD PRO 65 2.797 -17.761 1.385 524 H VAL 66 H VAL 66 -0.754 -18.260 5.521 525 HA VAL 66 HA VAL 66 0.977 -18.058 7.882 526 HB VAL 66 HB VAL 66 -0.325 -16.041 8.609 527 HG11 VAL 66 1HG1 VAL 66 1.903 -15.791 7.669 528 HG12 VAL 66 2HG1 VAL 66 0.873 -14.448 7.172 529 HG13 VAL 66 3HG1 VAL 66 1.233 -15.752 6.040 530 HG21 VAL 66 3HG2 VAL 66 -1.546 -14.763 6.904 531 HG22 VAL 66 1HG2 VAL 66 -2.283 -16.338 7.199 532 HG23 VAL 66 2HG2 VAL 66 -1.303 -16.081 5.755 533 HA PRO 67 HA PRO 67 -2.135 -20.375 9.986 534 HB2 PRO 67 2HB PRO 67 -1.874 -18.501 12.259 535 HB3 PRO 67 3HB PRO 67 -1.605 -20.245 12.206 536 HG2 PRO 67 2HG PRO 67 0.448 -18.543 12.379 537 HG3 PRO 67 3HG PRO 67 0.558 -20.021 11.402 538 HD2 PRO 67 2HD PRO 67 0.102 -17.195 10.523 539 HD3 PRO 67 3HD PRO 67 1.112 -18.456 9.785 540 H GLY 68 H GLY 68 -4.160 -20.135 9.263 541 HA2 GLY 68 2HA GLY 68 -6.377 -19.409 9.631 542 HA3 GLY 68 3HA GLY 68 -5.753 -17.935 10.358 543 H ALA 69 H ALA 69 -4.606 -16.449 8.869 544 HA ALA 69 HA ALA 69 -4.491 -15.116 7.045 545 HB1 ALA 69 3HB ALA 69 -3.913 -17.114 5.767 546 HB2 ALA 69 1HB ALA 69 -4.906 -16.012 4.813 547 HB3 ALA 69 2HB ALA 69 -5.623 -17.460 5.519 548 HA PRO 70 HA PRO 70 -8.413 -13.058 6.900 549 HB2 PRO 70 2HB PRO 70 -7.636 -12.118 4.197 550 HB3 PRO 70 3HB PRO 70 -8.059 -11.182 5.634 551 HG2 PRO 70 2HG PRO 70 -5.530 -11.341 4.780 552 HG3 PRO 70 3HG PRO 70 -5.923 -11.303 6.510 553 HD2 PRO 70 2HD PRO 70 -5.139 -13.622 4.788 554 HD3 PRO 70 3HD PRO 70 -4.692 -13.262 6.468 555 H LYS 71 H LYS 71 -10.253 -14.126 6.506 556 HA LYS 71 HA LYS 71 -10.367 -15.975 4.269 557 HB2 LYS 71 2HB LYS 71 -11.081 -16.620 6.577 558 HB3 LYS 71 3HB LYS 71 -12.412 -15.485 6.435 559 HG2 LYS 71 2HG LYS 71 -13.373 -16.755 4.639 560 HG3 LYS 71 3HG LYS 71 -11.978 -17.833 4.605 561 HD2 LYS 71 2HD LYS 71 -13.921 -17.506 6.894 562 HD3 LYS 71 3HD LYS 71 -13.845 -18.874 5.782 563 HE2 LYS 71 2HE LYS 71 -11.633 -18.019 7.649 564 HE3 LYS 71 3HE LYS 71 -12.755 -19.347 7.943 565 HZ1 LYS 71 3HZ LYS 71 -11.878 -20.553 6.132 566 HZ2 LYS 71 1HZ LYS 71 -10.541 -19.994 7.013 567 HZ3 LYS 71 2HZ LYS 71 -10.982 -19.230 5.564 568 H ALA 72 H ALA 72 -10.598 -14.725 2.480 569 HA ALA 72 HA ALA 72 -11.606 -13.517 0.856 570 HB1 ALA 72 3HB ALA 72 -14.163 -14.323 2.232 571 HB2 ALA 72 1HB ALA 72 -13.256 -15.336 1.107 572 HB3 ALA 72 2HB ALA 72 -13.974 -13.825 0.550 573 HA PRO 73 HA PRO 73 -12.123 -9.781 3.512 574 HB2 PRO 73 2HB PRO 73 -10.180 -8.580 1.689 575 HB3 PRO 73 3HB PRO 73 -10.086 -8.781 3.441 576 HG2 PRO 73 2HG PRO 73 -8.524 -10.181 1.726 577 HG3 PRO 73 3HG PRO 73 -9.059 -10.833 3.284 578 HD2 PRO 73 2HD PRO 73 -10.138 -11.358 0.540 579 HD3 PRO 73 3HD PRO 73 -9.858 -12.495 1.877 580 H ALA 74 H ALA 74 -14.178 -9.343 2.755 581 HA ALA 74 HA ALA 74 -14.400 -7.279 0.795 582 HB1 ALA 74 3HB ALA 74 -15.847 -8.415 -0.791 583 HB2 ALA 74 1HB ALA 74 -15.698 -9.922 0.115 584 HB3 ALA 74 2HB ALA 74 -14.292 -9.242 -0.701 585 H ALA 75 H ALA 75 -16.593 -6.415 0.710 586 HA ALA 75 HA ALA 75 -17.963 -6.903 3.247 587 HB1 ALA 75 3HB ALA 75 -19.024 -4.756 2.900 588 HB2 ALA 75 1HB ALA 75 -18.341 -4.647 1.279 589 HB3 ALA 75 2HB ALA 75 -17.281 -4.597 2.687 Start of MODEL 5 1 H1 MET 1 1H MET 1 -22.029 7.312 0.760 2 H2 MET 1 2H MET 1 -20.828 8.311 1.417 3 H3 MET 1 3H MET 1 -21.269 6.884 2.215 4 HA MET 1 HA MET 1 -19.179 6.576 1.091 5 HB2 MET 1 2HB MET 1 -21.485 5.159 -0.267 6 HB3 MET 1 3HB MET 1 -19.806 4.643 -0.345 7 HG2 MET 1 2HG MET 1 -19.792 4.249 2.047 8 HG3 MET 1 3HG MET 1 -21.447 4.842 2.173 9 HE1 MET 1 3HE MET 1 -19.913 2.589 -0.670 10 HE2 MET 1 1HE MET 1 -20.279 0.974 -0.066 11 HE3 MET 1 2HE MET 1 -19.115 1.993 0.785 12 H GLY 2 H GLY 2 -17.945 6.621 -0.838 13 HA2 GLY 2 2HA GLY 2 -19.063 7.522 -3.309 14 HA3 GLY 2 3HA GLY 2 -18.241 8.822 -2.462 15 H HIS 3 H HIS 3 -17.892 6.430 -4.703 16 HA HIS 3 HA HIS 3 -14.980 6.255 -4.342 17 HB2 HIS 3 2HB HIS 3 -16.364 4.187 -4.852 18 HB3 HIS 3 3HB HIS 3 -16.689 4.885 -6.433 19 HD1 HIS 3 HD1 HIS 3 -14.983 4.481 -8.229 20 HD2 HIS 3 HD2 HIS 3 -13.554 3.557 -4.432 21 HE1 HIS 3 HE1 HIS 3 -12.774 3.339 -8.594 22 HE2 HIS 3 HE2 HIS 3 -12.054 2.581 -6.302 23 H HIS 4 H HIS 4 -17.270 8.153 -5.675 24 HA HIS 4 HA HIS 4 -16.455 8.837 -8.222 25 HB2 HIS 4 2HB HIS 4 -17.540 11.012 -7.838 26 HB3 HIS 4 3HB HIS 4 -18.526 9.673 -7.272 27 HD1 HIS 4 HD1 HIS 4 -19.046 12.506 -6.252 28 HD2 HIS 4 HD2 HIS 4 -16.586 9.776 -4.306 29 HE1 HIS 4 HE1 HIS 4 -18.992 13.233 -3.842 30 HE2 HIS 4 HE2 HIS 4 -17.423 11.623 -2.699 31 H HIS 5 H HIS 5 -14.949 10.103 -9.114 32 HA HIS 5 HA HIS 5 -13.215 11.753 -7.477 33 HB2 HIS 5 2HB HIS 5 -11.148 10.593 -8.268 34 HB3 HIS 5 3HB HIS 5 -12.129 9.612 -7.188 35 HD1 HIS 5 HD1 HIS 5 -13.420 7.588 -8.274 36 HD2 HIS 5 HD2 HIS 5 -10.786 9.565 -10.817 37 HE1 HIS 5 HE1 HIS 5 -13.110 6.063 -10.248 38 HE2 HIS 5 HE2 HIS 5 -11.699 7.384 -11.869 39 H HIS 6 H HIS 6 -12.835 13.555 -8.569 40 HA HIS 6 HA HIS 6 -13.127 13.582 -11.466 41 HB2 HIS 6 2HB HIS 6 -12.951 15.663 -9.340 42 HB3 HIS 6 3HB HIS 6 -12.417 16.102 -10.959 43 HD1 HIS 6 HD1 HIS 6 -15.004 17.180 -9.391 44 HD2 HIS 6 HD2 HIS 6 -14.905 14.393 -12.481 45 HE1 HIS 6 HE1 HIS 6 -17.286 17.250 -10.452 46 HE2 HIS 6 HE2 HIS 6 -17.154 15.662 -12.407 47 H HIS 7 H HIS 7 -11.463 13.315 -12.803 48 HA HIS 7 HA HIS 7 -8.830 14.296 -12.077 49 HB2 HIS 7 2HB HIS 7 -9.171 11.877 -11.175 50 HB3 HIS 7 3HB HIS 7 -9.046 11.398 -12.863 51 HD1 HIS 7 HD1 HIS 7 -7.046 11.757 -9.961 52 HD2 HIS 7 HD2 HIS 7 -6.473 12.542 -14.007 53 HE1 HIS 7 HE1 HIS 7 -4.553 11.861 -10.288 54 HE2 HIS 7 HE2 HIS 7 -4.244 12.566 -12.687 55 H HIS 8 H HIS 8 -7.881 15.096 -13.828 56 HA HIS 8 HA HIS 8 -9.113 14.809 -16.406 57 HB2 HIS 8 2HB HIS 8 -7.270 16.299 -17.190 58 HB3 HIS 8 3HB HIS 8 -8.181 16.956 -15.840 59 HD1 HIS 8 HD1 HIS 8 -6.356 18.474 -14.977 60 HD2 HIS 8 HD2 HIS 8 -5.139 14.511 -15.294 61 HE1 HIS 8 HE1 HIS 8 -4.130 18.354 -13.814 62 HE2 HIS 8 HE2 HIS 8 -3.309 16.008 -14.238 63 H SER 9 H SER 9 -6.915 14.785 -18.150 64 HA SER 9 HA SER 9 -6.552 12.036 -18.510 65 HB2 SER 9 2HB SER 9 -6.296 13.911 -20.234 66 HB3 SER 9 3HB SER 9 -4.671 14.140 -19.586 67 HG SER 9 HG SER 9 -4.040 12.424 -20.620 68 H HIS 10 H HIS 10 -5.303 10.641 -17.514 69 HA HIS 10 HA HIS 10 -3.417 11.588 -15.522 70 HB2 HIS 10 2HB HIS 10 -3.333 9.268 -14.765 71 HB3 HIS 10 3HB HIS 10 -5.003 9.786 -14.945 72 HD1 HIS 10 HD1 HIS 10 -6.429 8.614 -16.731 73 HD2 HIS 10 HD2 HIS 10 -2.492 7.271 -16.582 74 HE1 HIS 10 HE1 HIS 10 -6.378 6.493 -18.088 75 HE2 HIS 10 HE2 HIS 10 -3.959 5.782 -18.110 76 H MET 11 H MET 11 -1.237 10.846 -15.376 77 HA MET 11 HA MET 11 0.052 10.580 -17.927 78 HB2 MET 11 2HB MET 11 2.144 10.548 -16.666 79 HB3 MET 11 3HB MET 11 1.117 11.871 -16.140 80 HG2 MET 11 2HG MET 11 0.438 10.555 -14.188 81 HG3 MET 11 3HG MET 11 1.507 9.253 -14.708 82 HE1 MET 11 3HE MET 11 1.313 12.985 -13.487 83 HE2 MET 11 1HE MET 11 2.200 13.111 -15.006 84 HE3 MET 11 2HE MET 11 3.017 13.443 -13.480 85 H SER 12 H SER 12 1.148 8.797 -18.712 86 HA SER 12 HA SER 12 -0.157 6.337 -18.117 87 HB2 SER 12 2HB SER 12 0.502 6.936 -20.411 88 HB3 SER 12 3HB SER 12 2.199 6.890 -19.938 89 HG SER 12 HG SER 12 1.068 4.931 -20.955 90 H THR 13 H THR 13 0.587 4.526 -17.160 91 HA THR 13 HA THR 13 3.308 4.578 -16.021 92 HB THR 13 HB THR 13 0.907 3.293 -14.708 93 HG1 THR 13 HG1 THR 13 1.995 5.885 -14.490 94 HG21 THR 13 3HG2 THR 13 3.041 2.292 -14.094 95 HG22 THR 13 1HG2 THR 13 2.373 3.201 -12.737 96 HG23 THR 13 2HG2 THR 13 3.687 3.884 -13.694 97 HA PRO 14 HA PRO 14 3.608 0.913 -18.596 98 HB2 PRO 14 2HB PRO 14 6.111 0.562 -17.053 99 HB3 PRO 14 3HB PRO 14 5.872 0.660 -18.801 100 HG2 PRO 14 2HG PRO 14 6.967 2.685 -17.447 101 HG3 PRO 14 3HG PRO 14 5.861 2.975 -18.803 102 HD2 PRO 14 2HD PRO 14 5.331 3.144 -15.859 103 HD3 PRO 14 3HD PRO 14 4.771 4.203 -17.170 104 H LEU 15 H LEU 15 2.264 -0.664 -17.949 105 HA LEU 15 HA LEU 15 2.472 -1.724 -15.237 106 HB2 LEU 15 2HB LEU 15 0.293 -1.099 -16.576 107 HB3 LEU 15 3HB LEU 15 0.495 -2.699 -17.256 108 HG LEU 15 HG LEU 15 0.184 -2.088 -14.311 109 HD11 LEU 15 1HD1 LEU 15 -1.776 -3.250 -16.281 110 HD12 LEU 15 2HD1 LEU 15 -1.858 -1.646 -15.558 111 HD13 LEU 15 3HD1 LEU 15 -2.036 -3.079 -14.546 112 HD21 LEU 15 3HD2 LEU 15 -0.078 -4.489 -14.029 113 HD22 LEU 15 1HD2 LEU 15 1.500 -4.116 -14.720 114 HD23 LEU 15 2HD2 LEU 15 0.211 -4.741 -15.749 115 H THR 16 H THR 16 4.301 -2.951 -15.274 116 HA THR 16 HA THR 16 4.027 -5.459 -16.755 117 HB THR 16 HB THR 16 5.699 -4.189 -17.982 118 HG1 THR 16 HG1 THR 16 6.897 -6.243 -16.390 119 HG21 THR 16 3HG2 THR 16 7.822 -3.503 -16.952 120 HG22 THR 16 1HG2 THR 16 7.205 -3.985 -15.373 121 HG23 THR 16 2HG2 THR 16 6.445 -2.655 -16.245 122 H GLY 17 H GLY 17 3.835 -7.021 -15.339 123 HA2 GLY 17 2HA GLY 17 4.511 -8.397 -13.571 124 HA3 GLY 17 3HA GLY 17 5.581 -7.116 -13.013 125 H LYS 18 H LYS 18 4.503 -8.046 -10.988 126 HA LYS 18 HA LYS 18 2.770 -6.023 -9.998 127 HB2 LYS 18 2HB LYS 18 0.965 -7.641 -9.233 128 HB3 LYS 18 3HB LYS 18 0.955 -7.224 -10.940 129 HG2 LYS 18 2HG LYS 18 1.916 -9.333 -11.530 130 HG3 LYS 18 3HG LYS 18 2.196 -9.735 -9.836 131 HD2 LYS 18 2HD LYS 18 0.239 -10.901 -10.731 132 HD3 LYS 18 3HD LYS 18 -0.201 -9.793 -9.434 133 HE2 LYS 18 2HE LYS 18 -0.874 -8.127 -11.129 134 HE3 LYS 18 3HE LYS 18 -0.499 -9.295 -12.393 135 HZ1 LYS 18 3HZ LYS 18 -2.534 -9.657 -10.261 136 HZ2 LYS 18 1HZ LYS 18 -2.178 -10.773 -11.489 137 HZ3 LYS 18 2HZ LYS 18 -2.861 -9.270 -11.881 138 HA PRO 19 HA PRO 19 5.744 -7.420 -6.916 139 HB2 PRO 19 2HB PRO 19 4.441 -5.192 -5.439 140 HB3 PRO 19 3HB PRO 19 6.158 -5.511 -5.717 141 HG2 PRO 19 2HG PRO 19 4.898 -3.583 -7.056 142 HG3 PRO 19 3HG PRO 19 6.116 -4.597 -7.850 143 HD2 PRO 19 2HD PRO 19 3.137 -4.707 -8.046 144 HD3 PRO 19 3HD PRO 19 4.362 -4.964 -9.306 145 H GLY 20 H GLY 20 5.500 -8.909 -5.376 146 HA2 GLY 20 2HA GLY 20 2.803 -9.306 -4.271 147 HA3 GLY 20 3HA GLY 20 4.051 -10.541 -4.377 148 H ALA 21 H ALA 21 6.213 -9.349 -3.276 149 HA ALA 21 HA ALA 21 5.531 -9.453 -0.488 150 HB1 ALA 21 3HB ALA 21 7.568 -10.502 -1.348 151 HB2 ALA 21 1HB ALA 21 7.929 -9.305 -0.105 152 HB3 ALA 21 2HB ALA 21 8.190 -8.916 -1.805 153 H LEU 22 H LEU 22 6.690 -7.788 0.993 154 HA LEU 22 HA LEU 22 5.999 -5.105 -0.008 155 HB2 LEU 22 2HB LEU 22 5.837 -6.194 2.805 156 HB3 LEU 22 3HB LEU 22 5.515 -4.531 2.355 157 HG LEU 22 HG LEU 22 3.923 -6.919 1.411 158 HD11 LEU 22 1HD1 LEU 22 2.177 -6.043 2.891 159 HD12 LEU 22 2HD1 LEU 22 3.298 -4.815 3.477 160 HD13 LEU 22 3HD1 LEU 22 3.617 -6.521 3.787 161 HD21 LEU 22 3HD2 LEU 22 3.457 -3.956 1.067 162 HD22 LEU 22 1HD2 LEU 22 2.346 -5.239 0.583 163 HD23 LEU 22 2HD2 LEU 22 3.919 -5.092 -0.203 164 HA PRO 23 HA PRO 23 10.241 -4.053 0.928 165 HB2 PRO 23 2HB PRO 23 10.015 -1.367 0.675 166 HB3 PRO 23 3HB PRO 23 10.049 -2.451 -0.721 167 HG2 PRO 23 2HG PRO 23 7.710 -1.147 0.612 168 HG3 PRO 23 3HG PRO 23 8.035 -1.369 -1.117 169 HD2 PRO 23 2HD PRO 23 6.339 -2.964 0.304 170 HD3 PRO 23 3HD PRO 23 7.244 -3.521 -1.117 171 H ALA 24 H ALA 24 11.417 -2.727 2.535 172 HA ALA 24 HA ALA 24 10.045 -2.824 5.078 173 HB1 ALA 24 3HB ALA 24 12.858 -1.950 4.426 174 HB2 ALA 24 1HB ALA 24 12.358 -3.574 4.896 175 HB3 ALA 24 2HB ALA 24 12.214 -2.243 6.041 176 H ASN 25 H ASN 25 10.263 -0.549 2.678 177 HA ASN 25 HA ASN 25 10.362 1.763 4.464 178 HB2 ASN 25 2HB ASN 25 10.445 1.480 1.465 179 HB3 ASN 25 3HB ASN 25 10.316 3.042 2.266 180 HD21 ASN 25 1HD2 ASN 25 12.082 3.908 3.256 181 HD22 ASN 25 2HD2 ASN 25 13.673 3.233 3.117 182 H LEU 26 H LEU 26 7.997 -0.101 4.267 183 HA LEU 26 HA LEU 26 5.915 0.877 2.748 184 HB2 LEU 26 2HB LEU 26 5.868 -0.377 5.480 185 HB3 LEU 26 3HB LEU 26 4.413 -0.029 4.569 186 HG LEU 26 HG LEU 26 6.621 -1.898 3.699 187 HD11 LEU 26 1HD1 LEU 26 5.316 -2.772 5.567 188 HD12 LEU 26 2HD1 LEU 26 4.976 -3.657 4.081 189 HD13 LEU 26 3HD1 LEU 26 3.825 -2.462 4.677 190 HD21 LEU 26 3HD2 LEU 26 5.092 -2.507 1.890 191 HD22 LEU 26 1HD2 LEU 26 5.533 -0.802 1.805 192 HD23 LEU 26 2HD2 LEU 26 3.953 -1.274 2.432 193 H ASP 27 H ASP 27 6.823 1.934 6.027 194 HA ASP 27 HA ASP 27 4.697 3.896 6.049 195 HB2 ASP 27 2HB ASP 27 5.361 2.690 8.113 196 HB3 ASP 27 3HB ASP 27 6.944 3.457 8.032 197 H ASP 28 H ASP 28 8.036 3.763 5.252 198 HA ASP 28 HA ASP 28 8.595 6.560 5.606 199 HB2 ASP 28 2HB ASP 28 10.356 4.897 5.887 200 HB3 ASP 28 3HB ASP 28 10.159 4.369 4.219 201 H MET 29 H MET 29 7.699 4.454 2.962 202 HA MET 29 HA MET 29 8.212 6.187 0.814 203 HB2 MET 29 2HB MET 29 6.254 3.920 1.168 204 HB3 MET 29 3HB MET 29 6.410 4.800 -0.346 205 HG2 MET 29 2HG MET 29 8.616 4.056 -0.675 206 HG3 MET 29 3HG MET 29 8.753 3.485 0.987 207 HE1 MET 29 3HE MET 29 5.664 2.987 -1.376 208 HE2 MET 29 1HE MET 29 6.032 1.439 -2.135 209 HE3 MET 29 2HE MET 29 7.010 2.858 -2.507 210 H LYS 30 H LYS 30 6.690 7.382 -0.477 211 HA LYS 30 HA LYS 30 5.096 9.073 1.230 212 HB2 LYS 30 2HB LYS 30 5.623 9.243 -1.744 213 HB3 LYS 30 3HB LYS 30 4.782 10.457 -0.796 214 HG2 LYS 30 2HG LYS 30 6.903 11.329 -0.986 215 HG3 LYS 30 3HG LYS 30 6.948 10.552 0.597 216 HD2 LYS 30 2HD LYS 30 8.006 8.574 -0.457 217 HD3 LYS 30 3HD LYS 30 8.040 9.444 -1.991 218 HE2 LYS 30 2HE LYS 30 9.421 11.197 -0.927 219 HE3 LYS 30 3HE LYS 30 9.421 10.251 0.560 220 HZ1 LYS 30 3HZ LYS 30 10.473 8.428 -0.714 221 HZ2 LYS 30 1HZ LYS 30 11.436 9.824 -0.607 222 HZ3 LYS 30 2HZ LYS 30 10.605 9.473 -2.045 223 H VAL 31 H VAL 31 2.934 9.821 0.447 224 HA VAL 31 HA VAL 31 1.061 7.786 0.391 225 HB VAL 31 HB VAL 31 0.736 10.579 -0.726 226 HG11 VAL 31 1HG1 VAL 31 -1.655 10.263 -0.232 227 HG12 VAL 31 2HG1 VAL 31 -1.328 8.587 0.208 228 HG13 VAL 31 3HG1 VAL 31 -1.071 9.130 -1.450 229 HG21 VAL 31 3HG2 VAL 31 1.536 10.564 1.589 230 HG22 VAL 31 1HG2 VAL 31 0.187 9.523 2.046 231 HG23 VAL 31 2HG2 VAL 31 -0.117 11.164 1.477 232 H ALA 32 H ALA 32 2.402 9.637 -2.318 233 HA ALA 32 HA ALA 32 0.899 8.427 -4.358 234 HB1 ALA 32 3HB ALA 32 3.654 9.646 -4.527 235 HB2 ALA 32 1HB ALA 32 2.128 10.519 -4.662 236 HB3 ALA 32 2HB ALA 32 2.573 9.328 -5.883 237 H GLU 33 H GLU 33 4.045 7.607 -2.953 238 HA GLU 33 HA GLU 33 4.770 5.604 -4.771 239 HB2 GLU 33 2HB GLU 33 5.492 5.723 -1.839 240 HB3 GLU 33 3HB GLU 33 6.374 4.884 -3.109 241 HG2 GLU 33 2HG GLU 33 6.040 7.859 -2.817 242 HG3 GLU 33 3HG GLU 33 7.504 6.925 -2.519 243 H LEU 34 H LEU 34 2.865 5.486 -1.810 244 HA LEU 34 HA LEU 34 2.656 2.649 -1.726 245 HB2 LEU 34 2HB LEU 34 0.894 4.756 -0.471 246 HB3 LEU 34 3HB LEU 34 0.860 3.047 -0.086 247 HG LEU 34 HG LEU 34 3.198 4.899 0.386 248 HD11 LEU 34 1HD1 LEU 34 2.665 4.581 2.756 249 HD12 LEU 34 2HD1 LEU 34 1.232 3.656 2.304 250 HD13 LEU 34 3HD1 LEU 34 1.346 5.364 1.886 251 HD21 LEU 34 3HD2 LEU 34 3.888 2.601 -0.104 252 HD22 LEU 34 1HD2 LEU 34 2.802 2.008 1.152 253 HD23 LEU 34 2HD2 LEU 34 4.182 3.018 1.583 254 H LYS 35 H LYS 35 0.703 5.216 -3.139 255 HA LYS 35 HA LYS 35 -1.431 3.484 -3.907 256 HB2 LYS 35 2HB LYS 35 -0.683 6.259 -4.837 257 HB3 LYS 35 3HB LYS 35 -2.131 5.408 -5.361 258 HG2 LYS 35 2HG LYS 35 -2.793 5.226 -2.961 259 HG3 LYS 35 3HG LYS 35 -1.438 6.285 -2.570 260 HD2 LYS 35 2HD LYS 35 -2.382 8.046 -3.944 261 HD3 LYS 35 3HD LYS 35 -3.700 6.983 -4.443 262 HE2 LYS 35 2HE LYS 35 -4.264 6.788 -1.966 263 HE3 LYS 35 3HE LYS 35 -3.156 8.137 -1.719 264 HZ1 LYS 35 3HZ LYS 35 -5.520 8.208 -3.514 265 HZ2 LYS 35 1HZ LYS 35 -4.506 9.513 -3.137 266 HZ3 LYS 35 2HZ LYS 35 -5.496 8.827 -1.943 267 H GLN 36 H GLN 36 1.616 4.397 -5.320 268 HA GLN 36 HA GLN 36 1.188 3.430 -7.931 269 HB2 GLN 36 2HB GLN 36 3.688 3.564 -6.243 270 HB3 GLN 36 3HB GLN 36 3.692 3.047 -7.923 271 HG2 GLN 36 2HG GLN 36 2.689 5.722 -6.982 272 HG3 GLN 36 3HG GLN 36 4.324 5.426 -7.567 273 HE21 GLN 36 1HE2 GLN 36 3.491 3.554 -9.609 274 HE22 GLN 36 2HE2 GLN 36 2.757 4.497 -10.859 275 H GLU 37 H GLU 37 2.139 1.848 -4.932 276 HA GLU 37 HA GLU 37 2.487 -0.750 -5.975 277 HB2 GLU 37 2HB GLU 37 1.811 0.308 -3.241 278 HB3 GLU 37 3HB GLU 37 1.884 -1.419 -3.557 279 HG2 GLU 37 2HG GLU 37 4.166 0.411 -4.196 280 HG3 GLU 37 3HG GLU 37 3.958 -0.315 -2.602 281 H LEU 38 H LEU 38 -0.304 0.877 -4.526 282 HA LEU 38 HA LEU 38 -2.086 -1.259 -4.539 283 HB2 LEU 38 2HB LEU 38 -2.670 1.683 -4.885 284 HB3 LEU 38 3HB LEU 38 -3.869 0.460 -4.506 285 HG LEU 38 HG LEU 38 -1.526 1.197 -2.749 286 HD11 LEU 38 1HD1 LEU 38 -3.252 2.153 -1.280 287 HD12 LEU 38 2HD1 LEU 38 -4.453 1.868 -2.541 288 HD13 LEU 38 3HD1 LEU 38 -3.124 2.992 -2.824 289 HD21 LEU 38 3HD2 LEU 38 -3.865 -0.654 -2.278 290 HD22 LEU 38 1HD2 LEU 38 -2.690 -0.159 -1.057 291 HD23 LEU 38 2HD2 LEU 38 -2.171 -1.119 -2.442 292 H LYS 39 H LYS 39 -1.603 1.243 -7.031 293 HA LYS 39 HA LYS 39 -3.638 0.302 -8.740 294 HB2 LYS 39 2HB LYS 39 -2.718 1.781 -10.415 295 HB3 LYS 39 3HB LYS 39 -2.664 2.583 -8.852 296 HG2 LYS 39 2HG LYS 39 -0.258 1.889 -8.689 297 HG3 LYS 39 3HG LYS 39 -0.376 1.352 -10.365 298 HD2 LYS 39 2HD LYS 39 -0.847 4.155 -9.352 299 HD3 LYS 39 3HD LYS 39 0.573 3.594 -10.233 300 HE2 LYS 39 2HE LYS 39 -0.882 3.047 -12.155 301 HE3 LYS 39 3HE LYS 39 -2.259 3.708 -11.272 302 HZ1 LYS 39 3HZ LYS 39 -1.409 5.362 -12.770 303 HZ2 LYS 39 1HZ LYS 39 0.157 5.196 -12.151 304 HZ3 LYS 39 2HZ LYS 39 -1.063 5.852 -11.181 305 H LEU 40 H LEU 40 -0.357 -0.737 -8.275 306 HA LEU 40 HA LEU 40 -0.288 -2.237 -10.758 307 HB2 LEU 40 2HB LEU 40 1.638 -2.017 -8.450 308 HB3 LEU 40 3HB LEU 40 1.915 -3.049 -9.841 309 HG LEU 40 HG LEU 40 1.660 -0.040 -9.899 310 HD11 LEU 40 1HD1 LEU 40 4.049 -1.835 -10.296 311 HD12 LEU 40 2HD1 LEU 40 3.747 -0.799 -8.901 312 HD13 LEU 40 3HD1 LEU 40 4.030 -0.080 -10.485 313 HD21 LEU 40 3HD2 LEU 40 2.248 -2.000 -12.117 314 HD22 LEU 40 1HD2 LEU 40 2.314 -0.241 -12.252 315 HD23 LEU 40 2HD2 LEU 40 0.776 -1.046 -11.933 316 H ARG 41 H ARG 41 -1.081 -2.762 -7.431 317 HA ARG 41 HA ARG 41 -0.927 -5.669 -7.739 318 HB2 ARG 41 2HB ARG 41 -1.414 -3.983 -5.277 319 HB3 ARG 41 3HB ARG 41 -1.248 -5.734 -5.296 320 HG2 ARG 41 2HG ARG 41 1.050 -5.513 -6.098 321 HG3 ARG 41 3HG ARG 41 0.885 -3.755 -6.085 322 HD2 ARG 41 2HD ARG 41 0.375 -3.899 -3.649 323 HD3 ARG 41 3HD ARG 41 0.756 -5.619 -3.722 324 HE ARG 41 HE ARG 41 2.738 -3.548 -4.447 325 HH11 ARG 41 1HH1 ARG 41 1.825 -6.446 -2.704 326 HH12 ARG 41 2HH1 ARG 41 3.394 -6.687 -2.015 327 HH21 ARG 41 1HH2 ARG 41 4.801 -3.834 -3.518 328 HH22 ARG 41 2HH2 ARG 41 5.097 -5.207 -2.484 329 H SER 42 H SER 42 -3.063 -3.637 -8.704 330 HA SER 42 HA SER 42 -5.270 -3.730 -9.208 331 HB2 SER 42 2HB SER 42 -5.149 -6.502 -7.994 332 HB3 SER 42 3HB SER 42 -6.431 -5.880 -9.034 333 HG SER 42 HG SER 42 -5.105 -6.958 -10.390 334 H LEU 43 H LEU 43 -4.376 -2.647 -6.709 335 HA LEU 43 HA LEU 43 -6.618 -3.209 -4.889 336 HB2 LEU 43 2HB LEU 43 -3.877 -2.030 -4.477 337 HB3 LEU 43 3HB LEU 43 -5.139 -1.880 -3.270 338 HG LEU 43 HG LEU 43 -4.292 -4.578 -4.291 339 HD11 LEU 43 1HD1 LEU 43 -2.773 -4.715 -2.369 340 HD12 LEU 43 2HD1 LEU 43 -3.079 -3.016 -2.012 341 HD13 LEU 43 3HD1 LEU 43 -2.270 -3.471 -3.512 342 HD21 LEU 43 3HD2 LEU 43 -5.562 -3.584 -1.742 343 HD22 LEU 43 1HD2 LEU 43 -5.136 -5.265 -2.081 344 HD23 LEU 43 2HD2 LEU 43 -6.373 -4.457 -3.046 345 HA PRO 44 HA PRO 44 -8.381 0.799 -5.715 346 HB2 PRO 44 2HB PRO 44 -9.405 1.354 -3.232 347 HB3 PRO 44 3HB PRO 44 -10.183 0.283 -4.403 348 HG2 PRO 44 2HG PRO 44 -8.489 -0.402 -2.036 349 HG3 PRO 44 3HG PRO 44 -9.961 -1.194 -2.629 350 HD2 PRO 44 2HD PRO 44 -7.501 -2.204 -3.078 351 HD3 PRO 44 3HD PRO 44 -8.821 -2.374 -4.252 352 H VAL 45 H VAL 45 -7.482 2.773 -5.778 353 HA VAL 45 HA VAL 45 -5.222 3.319 -4.032 354 HB VAL 45 HB VAL 45 -4.811 5.264 -5.516 355 HG11 VAL 45 1HG1 VAL 45 -5.162 2.621 -6.930 356 HG12 VAL 45 2HG1 VAL 45 -3.761 3.114 -5.981 357 HG13 VAL 45 3HG1 VAL 45 -4.150 3.954 -7.482 358 HG21 VAL 45 3HG2 VAL 45 -6.087 5.450 -7.615 359 HG22 VAL 45 1HG2 VAL 45 -7.096 5.748 -6.199 360 HG23 VAL 45 2HG2 VAL 45 -7.190 4.201 -7.042 361 H SER 46 H SER 46 -8.398 3.767 -3.701 362 HA SER 46 HA SER 46 -8.415 6.463 -2.691 363 HB2 SER 46 2HB SER 46 -10.466 4.261 -2.342 364 HB3 SER 46 3HB SER 46 -10.717 5.980 -2.045 365 HG SER 46 HG SER 46 -11.356 5.984 -4.048 366 H GLY 47 H GLY 47 -7.629 7.021 -0.749 367 HA2 GLY 47 2HA GLY 47 -8.308 6.103 1.690 368 HA3 GLY 47 3HA GLY 47 -7.050 4.969 1.218 369 H THR 48 H THR 48 -6.797 6.544 3.446 370 HA THR 48 HA THR 48 -5.040 8.764 2.749 371 HB THR 48 HB THR 48 -4.908 9.041 5.260 372 HG1 THR 48 HG1 THR 48 -6.937 7.022 5.156 373 HG21 THR 48 3HG2 THR 48 -7.172 9.965 5.457 374 HG22 THR 48 1HG2 THR 48 -7.652 9.087 4.003 375 HG23 THR 48 2HG2 THR 48 -6.443 10.368 3.901 376 H LYS 49 H LYS 49 -3.036 8.906 4.305 377 HA LYS 49 HA LYS 49 -1.132 7.180 3.284 378 HB2 LYS 49 2HB LYS 49 -0.625 9.367 4.252 379 HB3 LYS 49 3HB LYS 49 -1.054 8.778 5.850 380 HG2 LYS 49 2HG LYS 49 1.337 8.886 5.626 381 HG3 LYS 49 3HG LYS 49 0.830 7.203 5.755 382 HD2 LYS 49 2HD LYS 49 1.147 6.844 3.426 383 HD3 LYS 49 3HD LYS 49 1.355 8.571 3.125 384 HE2 LYS 49 2HE LYS 49 3.496 7.374 3.092 385 HE3 LYS 49 3HE LYS 49 3.427 8.568 4.384 386 HZ1 LYS 49 3HZ LYS 49 4.411 6.473 5.111 387 HZ2 LYS 49 1HZ LYS 49 2.979 5.654 4.734 388 HZ3 LYS 49 2HZ LYS 49 2.989 6.814 5.968 389 H THR 50 H THR 50 -2.719 7.018 6.454 390 HA THR 50 HA THR 50 -1.249 4.825 7.436 391 HB THR 50 HB THR 50 -4.065 5.592 8.227 392 HG1 THR 50 HG1 THR 50 -3.254 7.291 9.246 393 HG21 THR 50 3HG2 THR 50 -3.388 4.745 10.425 394 HG22 THR 50 1HG2 THR 50 -1.803 4.323 9.778 395 HG23 THR 50 2HG2 THR 50 -3.245 3.494 9.191 396 H GLU 51 H GLU 51 -4.307 5.047 5.671 397 HA GLU 51 HA GLU 51 -5.073 2.343 6.039 398 HB2 GLU 51 2HB GLU 51 -5.919 4.324 3.921 399 HB3 GLU 51 3HB GLU 51 -6.716 2.794 4.258 400 HG2 GLU 51 2HG GLU 51 -7.357 3.539 6.443 401 HG3 GLU 51 3HG GLU 51 -6.419 5.021 6.257 402 H LEU 52 H LEU 52 -3.216 4.032 3.589 403 HA LEU 52 HA LEU 52 -3.178 2.064 1.599 404 HB2 LEU 52 2HB LEU 52 -0.922 3.955 2.282 405 HB3 LEU 52 3HB LEU 52 -1.216 3.186 0.736 406 HG LEU 52 HG LEU 52 -2.948 5.300 2.018 407 HD11 LEU 52 1HD1 LEU 52 -0.822 6.154 1.176 408 HD12 LEU 52 2HD1 LEU 52 -2.179 6.721 0.204 409 HD13 LEU 52 3HD1 LEU 52 -1.148 5.422 -0.395 410 HD21 LEU 52 3HD2 LEU 52 -3.205 3.957 -0.667 411 HD22 LEU 52 1HD2 LEU 52 -4.192 5.293 -0.076 412 HD23 LEU 52 2HD2 LEU 52 -4.275 3.719 0.716 413 H ILE 53 H ILE 53 -1.103 2.563 4.413 414 HA ILE 53 HA ILE 53 0.778 0.537 3.793 415 HB ILE 53 HB ILE 53 0.080 1.667 6.510 416 HG12 ILE 53 2HG1 ILE 53 2.212 2.536 4.546 417 HG13 ILE 53 3HG1 ILE 53 0.702 3.394 4.832 418 HG21 ILE 53 1HG2 ILE 53 1.362 -0.411 6.627 419 HG22 ILE 53 2HG2 ILE 53 2.333 0.968 7.148 420 HG23 ILE 53 3HG2 ILE 53 2.575 0.274 5.546 421 HD11 ILE 53 3HD1 ILE 53 2.533 4.441 6.009 422 HD12 ILE 53 1HD1 ILE 53 2.885 2.930 6.847 423 HD13 ILE 53 2HD1 ILE 53 1.365 3.774 7.148 424 H GLU 54 H GLU 54 -2.097 0.595 5.878 425 HA GLU 54 HA GLU 54 -1.844 -2.048 6.836 426 HB2 GLU 54 2HB GLU 54 -4.336 -0.368 6.515 427 HB3 GLU 54 3HB GLU 54 -4.219 -1.842 7.467 428 HG2 GLU 54 2HG GLU 54 -2.534 -0.747 8.897 429 HG3 GLU 54 3HG GLU 54 -2.757 0.739 7.974 430 H ARG 55 H ARG 55 -3.435 -0.668 4.024 431 HA ARG 55 HA ARG 55 -4.809 -2.981 3.194 432 HB2 ARG 55 2HB ARG 55 -5.312 -0.726 2.359 433 HB3 ARG 55 3HB ARG 55 -3.761 -0.682 1.530 434 HG2 ARG 55 2HG ARG 55 -4.431 -2.330 -0.016 435 HG3 ARG 55 3HG ARG 55 -5.845 -2.768 0.945 436 HD2 ARG 55 2HD ARG 55 -5.400 -0.130 -0.448 437 HD3 ARG 55 3HD ARG 55 -6.481 -1.417 -0.988 438 HE ARG 55 HE ARG 55 -7.423 -0.967 1.457 439 HH11 ARG 55 1HH1 ARG 55 -6.582 1.309 -1.083 440 HH12 ARG 55 2HH1 ARG 55 -7.718 2.508 -0.539 441 HH21 ARG 55 1HH2 ARG 55 -8.894 0.583 2.151 442 HH22 ARG 55 2HH2 ARG 55 -9.049 2.091 1.292 443 H LEU 56 H LEU 56 -1.576 -1.754 2.415 444 HA LEU 56 HA LEU 56 -0.893 -3.785 0.578 445 HB2 LEU 56 2HB LEU 56 0.832 -2.084 2.380 446 HB3 LEU 56 3HB LEU 56 1.473 -3.162 1.154 447 HG LEU 56 HG LEU 56 -0.333 -0.804 0.616 448 HD11 LEU 56 1HD1 LEU 56 2.628 -1.171 0.183 449 HD12 LEU 56 2HD1 LEU 56 1.868 -0.091 1.355 450 HD13 LEU 56 3HD1 LEU 56 1.673 0.204 -0.375 451 HD21 LEU 56 3HD2 LEU 56 -0.619 -2.592 -1.013 452 HD22 LEU 56 1HD2 LEU 56 1.125 -2.664 -1.260 453 HD23 LEU 56 2HD2 LEU 56 0.225 -1.221 -1.734 454 H ARG 57 H ARG 57 -0.523 -3.515 4.079 455 HA ARG 57 HA ARG 57 0.897 -5.894 4.531 456 HB2 ARG 57 2HB ARG 57 -0.939 -4.226 6.229 457 HB3 ARG 57 3HB ARG 57 -0.261 -5.727 6.844 458 HG2 ARG 57 2HG ARG 57 1.952 -4.899 6.677 459 HG3 ARG 57 3HG ARG 57 1.424 -3.497 5.747 460 HD2 ARG 57 2HD ARG 57 1.947 -3.060 8.169 461 HD3 ARG 57 3HD ARG 57 0.358 -2.533 7.624 462 HE ARG 57 HE ARG 57 -0.389 -4.783 8.627 463 HH11 ARG 57 1HH1 ARG 57 2.262 -2.853 9.887 464 HH12 ARG 57 2HH1 ARG 57 1.967 -3.311 11.542 465 HH21 ARG 57 1HH2 ARG 57 -0.749 -5.409 10.778 466 HH22 ARG 57 2HH2 ARG 57 0.262 -4.780 12.048 467 H ALA 58 H ALA 58 -2.601 -5.255 4.724 468 HA ALA 58 HA ALA 58 -3.360 -7.904 5.304 469 HB1 ALA 58 3HB ALA 58 -4.964 -5.720 3.982 470 HB2 ALA 58 1HB ALA 58 -4.813 -5.992 5.717 471 HB3 ALA 58 2HB ALA 58 -5.617 -7.191 4.704 472 H TYR 59 H TYR 59 -2.593 -6.306 2.336 473 HA TYR 59 HA TYR 59 -3.799 -8.174 0.559 474 HB2 TYR 59 2HB TYR 59 -3.216 -5.884 -0.116 475 HB3 TYR 59 3HB TYR 59 -1.509 -6.247 0.113 476 HD1 TYR 59 HD2 TYR 59 -4.467 -7.495 -1.796 477 HD2 TYR 59 HD1 TYR 59 -0.262 -6.849 -1.741 478 HE1 TYR 59 HE2 TYR 59 -4.330 -8.227 -4.137 479 HE2 TYR 59 HE1 TYR 59 -0.113 -7.574 -4.084 480 HH TYR 59 HH TYR 59 -2.841 -7.917 -6.070 481 H GLN 60 H GLN 60 -0.412 -7.690 1.602 482 HA GLN 60 HA GLN 60 0.629 -9.961 0.287 483 HB2 GLN 60 2HB GLN 60 1.763 -7.906 1.554 484 HB3 GLN 60 3HB GLN 60 1.803 -9.056 2.880 485 HG2 GLN 60 2HG GLN 60 3.053 -9.427 0.165 486 HG3 GLN 60 3HG GLN 60 3.899 -9.026 1.655 487 HE21 GLN 60 1HE2 GLN 60 4.094 -10.616 3.274 488 HE22 GLN 60 2HE2 GLN 60 3.920 -12.299 2.905 489 H ASP 61 H ASP 61 -0.723 -9.443 3.476 490 HA ASP 61 HA ASP 61 -0.120 -11.837 4.722 491 HB2 ASP 61 2HB ASP 61 -1.085 -9.961 5.922 492 HB3 ASP 61 3HB ASP 61 -2.585 -10.108 5.011 493 H GLN 62 H GLN 62 -2.954 -11.088 2.691 494 HA GLN 62 HA GLN 62 -4.103 -13.678 3.115 495 HB2 GLN 62 2HB GLN 62 -5.776 -13.015 1.461 496 HB3 GLN 62 3HB GLN 62 -5.539 -11.757 2.666 497 HG2 GLN 62 2HG GLN 62 -4.114 -10.539 1.076 498 HG3 GLN 62 3HG GLN 62 -4.428 -11.784 -0.131 499 HE21 GLN 62 1HE2 GLN 62 -5.764 -9.135 1.673 500 HE22 GLN 62 2HE2 GLN 62 -7.189 -8.934 0.711 501 H ILE 63 H ILE 63 -1.711 -12.445 1.024 502 HA ILE 63 HA ILE 63 -2.028 -14.525 -0.966 503 HB ILE 63 HB ILE 63 0.240 -12.565 -0.557 504 HG12 ILE 63 2HG1 ILE 63 -2.026 -12.561 -2.565 505 HG13 ILE 63 3HG1 ILE 63 -1.920 -11.513 -1.154 506 HG21 ILE 63 1HG2 ILE 63 0.988 -14.573 -1.722 507 HG22 ILE 63 2HG2 ILE 63 0.940 -13.197 -2.823 508 HG23 ILE 63 3HG2 ILE 63 -0.338 -14.413 -2.876 509 HD11 ILE 63 3HD1 ILE 63 0.099 -10.491 -2.073 510 HD12 ILE 63 1HD1 ILE 63 -1.272 -10.338 -3.172 511 HD13 ILE 63 2HD1 ILE 63 -0.019 -11.539 -3.487 512 H SER 64 H SER 64 0.800 -13.613 0.983 513 HA SER 64 HA SER 64 2.418 -14.800 2.006 514 HB2 SER 64 2HB SER 64 0.213 -16.846 2.329 515 HB3 SER 64 3HB SER 64 1.764 -16.896 3.167 516 HG SER 64 HG SER 64 -0.296 -14.959 3.401 517 HA PRO 65 HA PRO 65 4.058 -16.856 -1.651 518 HB2 PRO 65 2HB PRO 65 6.537 -17.253 -0.453 519 HB3 PRO 65 3HB PRO 65 6.072 -15.839 -1.401 520 HG2 PRO 65 2HG PRO 65 6.134 -16.200 1.560 521 HG3 PRO 65 3HG PRO 65 6.550 -14.775 0.589 522 HD2 PRO 65 2HD PRO 65 4.227 -14.931 1.919 523 HD3 PRO 65 3HD PRO 65 4.328 -14.153 0.325 524 H VAL 66 H VAL 66 3.935 -18.941 -2.150 525 HA VAL 66 HA VAL 66 3.306 -20.884 -0.185 526 HB VAL 66 HB VAL 66 3.445 -22.516 -2.108 527 HG11 VAL 66 1HG1 VAL 66 1.453 -21.604 -3.238 528 HG12 VAL 66 2HG1 VAL 66 1.728 -20.058 -2.436 529 HG13 VAL 66 3HG1 VAL 66 1.352 -21.492 -1.482 530 HG21 VAL 66 3HG2 VAL 66 3.604 -21.580 -4.370 531 HG22 VAL 66 1HG2 VAL 66 5.101 -21.361 -3.467 532 HG23 VAL 66 2HG2 VAL 66 3.998 -20.003 -3.685 533 HA PRO 67 HA PRO 67 7.328 -22.127 1.112 534 HB2 PRO 67 2HB PRO 67 6.068 -24.745 1.674 535 HB3 PRO 67 3HB PRO 67 6.891 -23.636 2.773 536 HG2 PRO 67 2HG PRO 67 4.234 -23.933 2.828 537 HG3 PRO 67 3HG PRO 67 4.990 -22.350 3.106 538 HD2 PRO 67 2HD PRO 67 3.652 -23.415 0.647 539 HD3 PRO 67 3HD PRO 67 3.571 -21.790 1.358 540 H GLY 68 H GLY 68 8.731 -22.427 -0.521 541 HA2 GLY 68 2HA GLY 68 10.152 -23.811 -1.740 542 HA3 GLY 68 3HA GLY 68 9.013 -25.131 -1.529 543 H ALA 69 H ALA 69 7.212 -22.600 -2.527 544 HA ALA 69 HA ALA 69 6.168 -22.021 -4.461 545 HB1 ALA 69 3HB ALA 69 8.382 -21.247 -5.131 546 HB2 ALA 69 1HB ALA 69 7.514 -21.915 -6.513 547 HB3 ALA 69 2HB ALA 69 8.780 -22.856 -5.729 548 HA PRO 70 HA PRO 70 4.409 -25.660 -6.510 549 HB2 PRO 70 2HB PRO 70 4.640 -24.942 -9.194 550 HB3 PRO 70 3HB PRO 70 3.275 -24.554 -8.147 551 HG2 PRO 70 2HG PRO 70 5.601 -22.866 -8.934 552 HG3 PRO 70 3HG PRO 70 3.907 -22.405 -8.688 553 HD2 PRO 70 2HD PRO 70 5.783 -21.851 -6.853 554 HD3 PRO 70 3HD PRO 70 4.134 -22.311 -6.379 555 H LYS 71 H LYS 71 5.679 -27.406 -6.397 556 HA LYS 71 HA LYS 71 7.961 -27.643 -8.207 557 HB2 LYS 71 2HB LYS 71 8.791 -26.656 -6.079 558 HB3 LYS 71 3HB LYS 71 8.180 -28.060 -5.218 559 HG2 LYS 71 2HG LYS 71 9.734 -29.495 -6.388 560 HG3 LYS 71 3HG LYS 71 10.300 -28.131 -7.357 561 HD2 LYS 71 2HD LYS 71 11.066 -27.013 -5.307 562 HD3 LYS 71 3HD LYS 71 10.529 -28.402 -4.361 563 HE2 LYS 71 2HE LYS 71 12.940 -28.464 -4.772 564 HE3 LYS 71 3HE LYS 71 12.114 -29.831 -5.516 565 HZ1 LYS 71 3HZ LYS 71 13.866 -28.615 -6.874 566 HZ2 LYS 71 1HZ LYS 71 12.720 -27.378 -7.054 567 HZ3 LYS 71 2HZ LYS 71 12.385 -28.941 -7.634 568 H ALA 72 H ALA 72 8.643 -29.808 -8.537 569 HA ALA 72 HA ALA 72 6.502 -31.736 -8.001 570 HB1 ALA 72 3HB ALA 72 7.039 -31.329 -10.351 571 HB2 ALA 72 1HB ALA 72 7.422 -32.989 -9.895 572 HB3 ALA 72 2HB ALA 72 8.715 -31.799 -10.056 573 HA PRO 73 HA PRO 73 8.910 -34.210 -5.240 574 HB2 PRO 73 2HB PRO 73 8.349 -36.728 -6.235 575 HB3 PRO 73 3HB PRO 73 7.306 -35.827 -5.132 576 HG2 PRO 73 2HG PRO 73 7.139 -36.100 -8.107 577 HG3 PRO 73 3HG PRO 73 5.832 -36.105 -6.907 578 HD2 PRO 73 2HD PRO 73 6.350 -33.944 -8.397 579 HD3 PRO 73 3HD PRO 73 5.856 -33.792 -6.696 580 H ALA 74 H ALA 74 11.036 -34.321 -5.324 581 HA ALA 74 HA ALA 74 13.164 -34.822 -5.908 582 HB1 ALA 74 3HB ALA 74 11.900 -36.866 -7.721 583 HB2 ALA 74 1HB ALA 74 12.352 -37.118 -6.037 584 HB3 ALA 74 2HB ALA 74 13.596 -36.809 -7.247 585 H ALA 75 H ALA 75 11.408 -32.940 -7.549 586 HA ALA 75 HA ALA 75 13.304 -32.695 -9.785 587 HB1 ALA 75 3HB ALA 75 11.539 -31.711 -11.136 588 HB2 ALA 75 1HB ALA 75 10.394 -31.896 -9.809 589 HB3 ALA 75 2HB ALA 75 11.070 -33.323 -10.595 Start of MODEL 6 1 H1 MET 1 1H MET 1 -4.931 22.323 -18.241 2 H2 MET 1 2H MET 1 -5.907 23.154 -17.133 3 H3 MET 1 3H MET 1 -5.077 24.005 -18.343 4 HA MET 1 HA MET 1 -7.248 22.040 -18.787 5 HB2 MET 1 2HB MET 1 -8.633 23.925 -19.387 6 HB3 MET 1 3HB MET 1 -7.981 24.201 -17.779 7 HG2 MET 1 2HG MET 1 -6.255 25.664 -18.775 8 HG3 MET 1 3HG MET 1 -7.019 25.443 -20.346 9 HE1 MET 1 3HE MET 1 -8.673 25.840 -16.795 10 HE2 MET 1 1HE MET 1 -8.977 27.576 -16.754 11 HE3 MET 1 2HE MET 1 -7.320 26.972 -16.761 12 H GLY 2 H GLY 2 -4.385 22.690 -19.926 13 HA2 GLY 2 2HA GLY 2 -5.016 23.521 -22.630 14 HA3 GLY 2 3HA GLY 2 -3.422 23.179 -21.984 15 H HIS 3 H HIS 3 -4.814 20.544 -20.971 16 HA HIS 3 HA HIS 3 -4.818 19.179 -23.567 17 HB2 HIS 3 2HB HIS 3 -3.421 17.389 -22.768 18 HB3 HIS 3 3HB HIS 3 -2.578 18.908 -22.513 19 HD1 HIS 3 HD1 HIS 3 -2.027 19.560 -20.089 20 HD2 HIS 3 HD2 HIS 3 -4.213 16.031 -20.419 21 HE1 HIS 3 HE1 HIS 3 -1.948 18.485 -17.813 22 HE2 HIS 3 HE2 HIS 3 -3.244 16.334 -18.044 23 H HIS 4 H HIS 4 -6.199 17.442 -23.757 24 HA HIS 4 HA HIS 4 -8.140 17.238 -21.571 25 HB2 HIS 4 2HB HIS 4 -8.359 16.641 -24.513 26 HB3 HIS 4 3HB HIS 4 -9.582 16.124 -23.356 27 HD1 HIS 4 HD1 HIS 4 -11.009 17.979 -22.228 28 HD2 HIS 4 HD2 HIS 4 -8.368 19.351 -25.129 29 HE1 HIS 4 HE1 HIS 4 -11.740 20.330 -22.761 30 HE2 HIS 4 HE2 HIS 4 -10.257 21.055 -24.664 31 H HIS 5 H HIS 5 -6.976 14.918 -24.064 32 HA HIS 5 HA HIS 5 -6.221 13.080 -21.981 33 HB2 HIS 5 2HB HIS 5 -7.720 11.245 -22.734 34 HB3 HIS 5 3HB HIS 5 -8.563 12.582 -21.965 35 HD1 HIS 5 HD1 HIS 5 -8.290 10.715 -25.173 36 HD2 HIS 5 HD2 HIS 5 -10.211 14.104 -23.703 37 HE1 HIS 5 HE1 HIS 5 -10.065 11.284 -26.865 38 HE2 HIS 5 HE2 HIS 5 -11.298 13.251 -25.891 39 H HIS 6 H HIS 6 -4.301 12.602 -22.682 40 HA HIS 6 HA HIS 6 -4.152 11.016 -25.141 41 HB2 HIS 6 2HB HIS 6 -2.157 13.136 -24.300 42 HB3 HIS 6 3HB HIS 6 -1.785 11.872 -25.463 43 HD1 HIS 6 HD1 HIS 6 -2.679 12.142 -27.843 44 HD2 HIS 6 HD2 HIS 6 -3.946 15.126 -25.229 45 HE1 HIS 6 HE1 HIS 6 -3.707 13.926 -29.288 46 HE2 HIS 6 HE2 HIS 6 -4.351 15.773 -27.701 47 H HIS 7 H HIS 7 -3.834 9.025 -24.335 48 HA HIS 7 HA HIS 7 -2.159 8.819 -21.914 49 HB2 HIS 7 2HB HIS 7 -3.522 7.070 -21.074 50 HB3 HIS 7 3HB HIS 7 -4.633 8.316 -21.619 51 HD1 HIS 7 HD1 HIS 7 -4.064 4.772 -21.803 52 HD2 HIS 7 HD2 HIS 7 -5.727 7.638 -24.327 53 HE1 HIS 7 HE1 HIS 7 -5.435 3.493 -23.477 54 HE2 HIS 7 HE2 HIS 7 -6.290 5.225 -25.093 55 H HIS 8 H HIS 8 -0.655 7.213 -21.768 56 HA HIS 8 HA HIS 8 0.133 5.942 -24.250 57 HB2 HIS 8 2HB HIS 8 1.313 5.909 -21.466 58 HB3 HIS 8 3HB HIS 8 1.984 4.991 -22.808 59 HD1 HIS 8 HD1 HIS 8 2.835 7.815 -21.075 60 HD2 HIS 8 HD2 HIS 8 2.182 7.145 -25.124 61 HE1 HIS 8 HE1 HIS 8 4.084 9.639 -22.277 62 HE2 HIS 8 HE2 HIS 8 3.913 9.018 -24.714 63 H SER 9 H SER 9 0.408 3.629 -24.451 64 HA SER 9 HA SER 9 -1.798 2.162 -23.418 65 HB2 SER 9 2HB SER 9 -0.591 0.218 -24.549 66 HB3 SER 9 3HB SER 9 -1.022 1.577 -25.589 67 HG SER 9 HG SER 9 1.202 0.691 -25.742 68 H HIS 10 H HIS 10 1.556 2.528 -22.557 69 HA HIS 10 HA HIS 10 1.031 0.903 -20.153 70 HB2 HIS 10 2HB HIS 10 3.684 1.293 -21.561 71 HB3 HIS 10 3HB HIS 10 3.448 0.408 -20.059 72 HD1 HIS 10 HD1 HIS 10 4.054 -0.304 -23.392 73 HD2 HIS 10 HD2 HIS 10 1.235 -1.699 -20.680 74 HE1 HIS 10 HE1 HIS 10 3.265 -2.507 -24.310 75 HE2 HIS 10 HE2 HIS 10 1.730 -3.428 -22.535 76 H MET 11 H MET 11 0.646 2.302 -18.568 77 HA MET 11 HA MET 11 1.859 4.925 -18.554 78 HB2 MET 11 2HB MET 11 -0.462 4.646 -17.815 79 HB3 MET 11 3HB MET 11 0.065 3.564 -16.533 80 HG2 MET 11 2HG MET 11 1.298 5.380 -15.485 81 HG3 MET 11 3HG MET 11 0.815 6.470 -16.782 82 HE1 MET 11 3HE MET 11 -3.061 6.708 -16.236 83 HE2 MET 11 1HE MET 11 -2.186 5.610 -17.306 84 HE3 MET 11 2HE MET 11 -1.688 7.298 -17.173 85 H SER 12 H SER 12 1.809 2.165 -16.301 86 HA SER 12 HA SER 12 4.456 3.037 -15.351 87 HB2 SER 12 2HB SER 12 3.806 1.758 -13.230 88 HB3 SER 12 3HB SER 12 2.957 3.276 -13.526 89 HG SER 12 HG SER 12 1.975 0.710 -14.233 90 H THR 13 H THR 13 5.807 1.832 -16.563 91 HA THR 13 HA THR 13 5.314 -1.052 -16.790 92 HB THR 13 HB THR 13 7.515 0.473 -18.168 93 HG1 THR 13 HG1 THR 13 5.680 1.554 -18.799 94 HG21 THR 13 3HG2 THR 13 7.614 -1.972 -18.249 95 HG22 THR 13 1HG2 THR 13 7.273 -1.300 -19.843 96 HG23 THR 13 2HG2 THR 13 5.973 -2.020 -18.895 97 HA PRO 14 HA PRO 14 8.430 -1.421 -13.562 98 HB2 PRO 14 2HB PRO 14 7.944 -4.285 -13.705 99 HB3 PRO 14 3HB PRO 14 7.556 -3.159 -12.401 100 HG2 PRO 14 2HG PRO 14 5.658 -4.357 -13.942 101 HG3 PRO 14 3HG PRO 14 5.443 -2.759 -13.201 102 HD2 PRO 14 2HD PRO 14 6.192 -3.457 -16.020 103 HD3 PRO 14 3HD PRO 14 5.069 -2.212 -15.429 104 H LEU 15 H LEU 15 10.441 -1.129 -14.373 105 HA LEU 15 HA LEU 15 11.585 -2.598 -16.498 106 HB2 LEU 15 2HB LEU 15 12.761 -0.903 -14.309 107 HB3 LEU 15 3HB LEU 15 13.795 -1.775 -15.420 108 HG LEU 15 HG LEU 15 13.610 0.489 -16.169 109 HD11 LEU 15 1HD1 LEU 15 12.716 0.177 -18.416 110 HD12 LEU 15 2HD1 LEU 15 11.913 -1.304 -17.896 111 HD13 LEU 15 3HD1 LEU 15 13.674 -1.210 -17.903 112 HD21 LEU 15 3HD2 LEU 15 11.475 1.512 -16.775 113 HD22 LEU 15 1HD2 LEU 15 11.544 1.117 -15.058 114 HD23 LEU 15 2HD2 LEU 15 10.622 0.096 -16.160 115 H THR 16 H THR 16 11.496 -3.077 -13.043 116 HA THR 16 HA THR 16 12.325 -5.836 -13.482 117 HB THR 16 HB THR 16 14.340 -4.708 -12.660 118 HG1 THR 16 HG1 THR 16 14.658 -6.506 -11.632 119 HG21 THR 16 3HG2 THR 16 13.334 -2.850 -11.467 120 HG22 THR 16 1HG2 THR 16 14.404 -3.756 -10.396 121 HG23 THR 16 2HG2 THR 16 12.655 -3.959 -10.275 122 H GLY 17 H GLY 17 11.079 -7.266 -12.396 123 HA2 GLY 17 2HA GLY 17 8.731 -6.161 -11.115 124 HA3 GLY 17 3HA GLY 17 8.992 -7.841 -11.552 125 H LYS 18 H LYS 18 8.555 -5.852 -9.006 126 HA LYS 18 HA LYS 18 10.361 -6.963 -7.108 127 HB2 LYS 18 2HB LYS 18 7.755 -5.472 -6.848 128 HB3 LYS 18 3HB LYS 18 8.575 -6.131 -5.441 129 HG2 LYS 18 2HG LYS 18 9.220 -3.880 -5.540 130 HG3 LYS 18 3HG LYS 18 10.600 -4.776 -6.170 131 HD2 LYS 18 2HD LYS 18 9.975 -4.226 -8.438 132 HD3 LYS 18 3HD LYS 18 8.489 -3.456 -7.878 133 HE2 LYS 18 2HE LYS 18 10.122 -1.754 -8.376 134 HE3 LYS 18 3HE LYS 18 9.857 -1.813 -6.636 135 HZ1 LYS 18 3HZ LYS 18 11.890 -3.186 -6.465 136 HZ2 LYS 18 1HZ LYS 18 12.191 -1.628 -7.062 137 HZ3 LYS 18 2HZ LYS 18 12.163 -2.948 -8.117 138 HA PRO 19 HA PRO 19 8.573 -10.972 -6.553 139 HB2 PRO 19 2HB PRO 19 9.428 -10.732 -3.729 140 HB3 PRO 19 3HB PRO 19 9.882 -11.930 -4.946 141 HG2 PRO 19 2HG PRO 19 11.606 -10.044 -4.170 142 HG3 PRO 19 3HG PRO 19 11.526 -10.577 -5.859 143 HD2 PRO 19 2HD PRO 19 10.405 -8.104 -4.598 144 HD3 PRO 19 3HD PRO 19 11.225 -8.300 -6.162 145 H GLY 20 H GLY 20 7.165 -12.173 -4.891 146 HA2 GLY 20 2HA GLY 20 4.779 -10.654 -4.509 147 HA3 GLY 20 3HA GLY 20 5.039 -12.325 -4.030 148 H ALA 21 H ALA 21 6.440 -9.209 -3.081 149 HA ALA 21 HA ALA 21 5.443 -9.521 -0.372 150 HB1 ALA 21 3HB ALA 21 8.400 -9.335 -0.970 151 HB2 ALA 21 1HB ALA 21 7.562 -10.719 -0.268 152 HB3 ALA 21 2HB ALA 21 7.673 -9.207 0.631 153 H LEU 22 H LEU 22 6.462 -7.501 0.905 154 HA LEU 22 HA LEU 22 6.151 -5.179 -0.879 155 HB2 LEU 22 2HB LEU 22 5.228 -5.469 1.981 156 HB3 LEU 22 3HB LEU 22 5.075 -4.023 1.002 157 HG LEU 22 HG LEU 22 3.726 -6.651 0.394 158 HD11 LEU 22 1HD1 LEU 22 2.865 -5.687 2.441 159 HD12 LEU 22 2HD1 LEU 22 1.685 -5.525 1.140 160 HD13 LEU 22 3HD1 LEU 22 2.646 -4.133 1.639 161 HD21 LEU 22 3HD2 LEU 22 4.120 -5.311 -1.595 162 HD22 LEU 22 1HD2 LEU 22 3.412 -3.899 -0.807 163 HD23 LEU 22 2HD2 LEU 22 2.406 -5.299 -1.181 164 HA PRO 23 HA PRO 23 9.957 -3.609 0.881 165 HB2 PRO 23 2HB PRO 23 9.311 -0.928 0.890 166 HB3 PRO 23 3HB PRO 23 9.936 -1.797 -0.515 167 HG2 PRO 23 2HG PRO 23 7.129 -1.044 0.156 168 HG3 PRO 23 3HG PRO 23 7.945 -1.057 -1.418 169 HD2 PRO 23 2HD PRO 23 6.226 -2.998 -0.665 170 HD3 PRO 23 3HD PRO 23 7.628 -3.322 -1.704 171 H ALA 24 H ALA 24 10.551 -3.459 2.966 172 HA ALA 24 HA ALA 24 8.546 -3.394 4.999 173 HB1 ALA 24 3HB ALA 24 10.395 -3.742 6.550 174 HB2 ALA 24 1HB ALA 24 11.550 -3.407 5.259 175 HB3 ALA 24 2HB ALA 24 10.512 -4.831 5.167 176 H ASN 25 H ASN 25 9.508 -0.897 3.319 177 HA ASN 25 HA ASN 25 9.536 0.930 5.618 178 HB2 ASN 25 2HB ASN 25 11.155 1.102 3.079 179 HB3 ASN 25 3HB ASN 25 10.895 2.488 4.132 180 HD21 ASN 25 1HD2 ASN 25 11.810 2.501 6.197 181 HD22 ASN 25 2HD2 ASN 25 13.121 1.441 6.615 182 H LEU 26 H LEU 26 7.182 0.160 4.508 183 HA LEU 26 HA LEU 26 6.215 1.819 2.432 184 HB2 LEU 26 2HB LEU 26 4.736 0.518 4.728 185 HB3 LEU 26 3HB LEU 26 3.968 1.257 3.337 186 HG LEU 26 HG LEU 26 5.808 -1.134 3.209 187 HD11 LEU 26 1HD1 LEU 26 3.738 -1.680 4.362 188 HD12 LEU 26 2HD1 LEU 26 3.773 -2.416 2.761 189 HD13 LEU 26 3HD1 LEU 26 2.802 -0.972 3.047 190 HD21 LEU 26 3HD2 LEU 26 4.039 0.128 1.118 191 HD22 LEU 26 1HD2 LEU 26 4.999 -1.339 0.919 192 HD23 LEU 26 2HD2 LEU 26 5.800 0.214 1.168 193 H ASP 27 H ASP 27 6.606 2.230 5.869 194 HA ASP 27 HA ASP 27 5.068 4.579 6.186 195 HB2 ASP 27 2HB ASP 27 7.400 3.481 7.762 196 HB3 ASP 27 3HB ASP 27 6.510 4.922 8.240 197 H ASP 28 H ASP 28 8.296 3.987 5.048 198 HA ASP 28 HA ASP 28 9.186 6.721 5.231 199 HB2 ASP 28 2HB ASP 28 10.340 4.288 3.857 200 HB3 ASP 28 3HB ASP 28 11.126 5.861 3.863 201 H MET 29 H MET 29 7.317 4.921 3.052 202 HA MET 29 HA MET 29 8.089 6.385 0.680 203 HB2 MET 29 2HB MET 29 5.889 4.366 1.152 204 HB3 MET 29 3HB MET 29 6.331 5.026 -0.417 205 HG2 MET 29 2HG MET 29 8.477 3.991 -0.328 206 HG3 MET 29 3HG MET 29 8.230 3.499 1.344 207 HE1 MET 29 3HE MET 29 5.934 1.712 -2.239 208 HE2 MET 29 1HE MET 29 7.184 2.946 -2.390 209 HE3 MET 29 2HE MET 29 5.639 3.343 -1.635 210 H LYS 30 H LYS 30 6.497 7.568 -0.622 211 HA LYS 30 HA LYS 30 4.984 9.399 0.998 212 HB2 LYS 30 2HB LYS 30 4.891 9.189 -2.006 213 HB3 LYS 30 3HB LYS 30 4.514 10.586 -1.017 214 HG2 LYS 30 2HG LYS 30 6.894 10.754 -0.405 215 HG3 LYS 30 3HG LYS 30 7.236 9.395 -1.482 216 HD2 LYS 30 2HD LYS 30 6.079 10.754 -3.298 217 HD3 LYS 30 3HD LYS 30 6.202 12.123 -2.196 218 HE2 LYS 30 2HE LYS 30 8.051 12.170 -3.719 219 HE3 LYS 30 3HE LYS 30 8.644 11.781 -2.106 220 HZ1 LYS 30 3HZ LYS 30 8.837 9.496 -2.705 221 HZ2 LYS 30 1HZ LYS 30 9.627 10.406 -3.890 222 HZ3 LYS 30 2HZ LYS 30 8.095 9.750 -4.207 223 H VAL 31 H VAL 31 2.714 9.985 0.169 224 HA VAL 31 HA VAL 31 0.977 7.761 0.431 225 HB VAL 31 HB VAL 31 0.348 10.514 -0.664 226 HG11 VAL 31 1HG1 VAL 31 -1.950 10.027 0.036 227 HG12 VAL 31 2HG1 VAL 31 -1.459 8.396 0.487 228 HG13 VAL 31 3HG1 VAL 31 -1.384 8.905 -1.200 229 HG21 VAL 31 3HG2 VAL 31 1.332 10.655 1.556 230 HG22 VAL 31 1HG2 VAL 31 0.182 9.459 2.157 231 HG23 VAL 31 2HG2 VAL 31 -0.390 11.039 1.618 232 H ALA 32 H ALA 32 1.979 9.721 -2.355 233 HA ALA 32 HA ALA 32 0.505 8.355 -4.316 234 HB1 ALA 32 3HB ALA 32 3.146 9.770 -4.655 235 HB2 ALA 32 1HB ALA 32 1.562 10.548 -4.672 236 HB3 ALA 32 2HB ALA 32 1.988 9.385 -5.929 237 H GLU 33 H GLU 33 3.682 7.740 -2.929 238 HA GLU 33 HA GLU 33 4.578 5.794 -4.732 239 HB2 GLU 33 2HB GLU 33 5.138 6.042 -1.770 240 HB3 GLU 33 3HB GLU 33 6.040 5.032 -2.888 241 HG2 GLU 33 2HG GLU 33 5.827 8.027 -3.069 242 HG3 GLU 33 3HG GLU 33 7.174 7.151 -2.349 243 H LEU 34 H LEU 34 2.633 5.536 -1.795 244 HA LEU 34 HA LEU 34 2.446 2.711 -1.789 245 HB2 LEU 34 2HB LEU 34 0.579 4.778 -0.622 246 HB3 LEU 34 3HB LEU 34 0.549 3.065 -0.248 247 HG LEU 34 HG LEU 34 2.833 4.941 0.365 248 HD11 LEU 34 1HD1 LEU 34 2.155 4.647 2.690 249 HD12 LEU 34 2HD1 LEU 34 0.772 3.685 2.169 250 HD13 LEU 34 3HD1 LEU 34 0.876 5.391 1.735 251 HD21 LEU 34 3HD2 LEU 34 2.398 2.036 1.050 252 HD22 LEU 34 1HD2 LEU 34 3.705 3.047 1.668 253 HD23 LEU 34 2HD2 LEU 34 3.609 2.684 -0.056 254 H LYS 35 H LYS 35 0.466 5.280 -3.184 255 HA LYS 35 HA LYS 35 -1.631 3.664 -4.128 256 HB2 LYS 35 2HB LYS 35 -0.536 6.276 -5.174 257 HB3 LYS 35 3HB LYS 35 -2.016 5.528 -5.764 258 HG2 LYS 35 2HG LYS 35 -3.016 5.710 -3.571 259 HG3 LYS 35 3HG LYS 35 -1.516 6.364 -2.915 260 HD2 LYS 35 2HD LYS 35 -1.717 8.316 -4.350 261 HD3 LYS 35 3HD LYS 35 -3.185 7.656 -5.074 262 HE2 LYS 35 2HE LYS 35 -4.307 7.744 -2.919 263 HE3 LYS 35 3HE LYS 35 -2.830 8.337 -2.161 264 HZ1 LYS 35 3HZ LYS 35 -4.409 10.115 -2.634 265 HZ2 LYS 35 1HZ LYS 35 -4.341 9.753 -4.288 266 HZ3 LYS 35 2HZ LYS 35 -2.960 10.329 -3.490 267 H GLN 36 H GLN 36 1.501 4.492 -5.504 268 HA GLN 36 HA GLN 36 1.128 3.294 -8.024 269 HB2 GLN 36 2HB GLN 36 3.614 3.765 -6.381 270 HB3 GLN 36 3HB GLN 36 3.656 3.111 -8.013 271 HG2 GLN 36 2HG GLN 36 2.453 5.769 -7.259 272 HG3 GLN 36 3HG GLN 36 4.076 5.544 -7.911 273 HE21 GLN 36 1HE2 GLN 36 3.319 3.448 -9.738 274 HE22 GLN 36 2HE2 GLN 36 2.443 4.202 -11.021 275 H GLU 37 H GLU 37 2.274 2.002 -4.943 276 HA GLU 37 HA GLU 37 2.814 -0.618 -5.852 277 HB2 GLU 37 2HB GLU 37 2.106 0.462 -3.125 278 HB3 GLU 37 3HB GLU 37 2.554 -1.214 -3.411 279 HG2 GLU 37 2HG GLU 37 4.283 1.183 -3.982 280 HG3 GLU 37 3HG GLU 37 4.425 0.120 -2.583 281 H LEU 38 H LEU 38 -0.102 0.994 -4.797 282 HA LEU 38 HA LEU 38 -1.687 -1.363 -4.529 283 HB2 LEU 38 2HB LEU 38 -2.452 1.535 -4.878 284 HB3 LEU 38 3HB LEU 38 -3.595 0.250 -4.541 285 HG LEU 38 HG LEU 38 -1.301 0.914 -2.701 286 HD11 LEU 38 1HD1 LEU 38 -2.908 2.139 -1.348 287 HD12 LEU 38 2HD1 LEU 38 -4.155 1.872 -2.567 288 HD13 LEU 38 3HD1 LEU 38 -2.751 2.868 -2.944 289 HD21 LEU 38 3HD2 LEU 38 -2.237 -1.317 -2.428 290 HD22 LEU 38 1HD2 LEU 38 -3.862 -0.637 -2.309 291 HD23 LEU 38 2HD2 LEU 38 -2.667 -0.292 -1.058 292 H LYS 39 H LYS 39 -1.476 1.149 -7.053 293 HA LYS 39 HA LYS 39 -3.511 0.074 -8.670 294 HB2 LYS 39 2HB LYS 39 -2.720 1.582 -10.405 295 HB3 LYS 39 3HB LYS 39 -2.750 2.398 -8.848 296 HG2 LYS 39 2HG LYS 39 -0.310 2.029 -8.654 297 HG3 LYS 39 3HG LYS 39 -0.322 1.320 -10.269 298 HD2 LYS 39 2HD LYS 39 0.377 3.640 -10.389 299 HD3 LYS 39 3HD LYS 39 -1.193 3.444 -11.171 300 HE2 LYS 39 2HE LYS 39 -2.320 4.344 -9.237 301 HE3 LYS 39 3HE LYS 39 -0.803 4.407 -8.340 302 HZ1 LYS 39 3HZ LYS 39 0.019 6.034 -9.942 303 HZ2 LYS 39 1HZ LYS 39 -1.392 6.580 -9.174 304 HZ3 LYS 39 2HZ LYS 39 -1.464 5.996 -10.766 305 H LEU 40 H LEU 40 -0.166 -0.775 -8.365 306 HA LEU 40 HA LEU 40 -0.027 -2.164 -10.880 307 HB2 LEU 40 2HB LEU 40 1.783 -2.169 -8.467 308 HB3 LEU 40 3HB LEU 40 2.111 -3.084 -9.926 309 HG LEU 40 HG LEU 40 1.877 -0.078 -9.772 310 HD11 LEU 40 1HD1 LEU 40 3.885 -0.890 -8.668 311 HD12 LEU 40 2HD1 LEU 40 4.288 -0.094 -10.188 312 HD13 LEU 40 3HD1 LEU 40 4.293 -1.854 -10.088 313 HD21 LEU 40 3HD2 LEU 40 1.166 -0.930 -11.929 314 HD22 LEU 40 1HD2 LEU 40 2.635 -1.898 -12.053 315 HD23 LEU 40 2HD2 LEU 40 2.736 -0.136 -12.070 316 H ARG 41 H ARG 41 -1.372 -2.852 -7.860 317 HA ARG 41 HA ARG 41 -1.327 -5.743 -8.435 318 HB2 ARG 41 2HB ARG 41 -1.331 -4.352 -5.751 319 HB3 ARG 41 3HB ARG 41 -1.522 -6.087 -5.970 320 HG2 ARG 41 2HG ARG 41 0.685 -6.268 -6.903 321 HG3 ARG 41 3HG ARG 41 0.870 -4.514 -6.891 322 HD2 ARG 41 2HD ARG 41 0.749 -4.508 -4.455 323 HD3 ARG 41 3HD ARG 41 0.548 -6.262 -4.452 324 HE ARG 41 HE ARG 41 2.802 -6.470 -5.237 325 HH11 ARG 41 1HH1 ARG 41 1.891 -3.219 -4.306 326 HH12 ARG 41 2HH1 ARG 41 3.540 -2.687 -4.098 327 HH21 ARG 41 1HH2 ARG 41 4.969 -5.747 -4.974 328 HH22 ARG 41 2HH2 ARG 41 5.257 -4.098 -4.479 329 H SER 42 H SER 42 -3.228 -3.403 -9.009 330 HA SER 42 HA SER 42 -5.453 -3.185 -9.379 331 HB2 SER 42 2HB SER 42 -5.335 -5.552 -10.078 332 HB3 SER 42 3HB SER 42 -5.624 -6.053 -8.413 333 HG SER 42 HG SER 42 -7.616 -4.744 -8.609 334 H LEU 43 H LEU 43 -4.230 -2.618 -6.751 335 HA LEU 43 HA LEU 43 -6.485 -3.021 -4.935 336 HB2 LEU 43 2HB LEU 43 -3.651 -2.087 -4.557 337 HB3 LEU 43 3HB LEU 43 -4.854 -1.929 -3.291 338 HG LEU 43 HG LEU 43 -4.240 -4.596 -4.543 339 HD11 LEU 43 1HD1 LEU 43 -2.709 -5.018 -2.687 340 HD12 LEU 43 2HD1 LEU 43 -2.904 -3.354 -2.137 341 HD13 LEU 43 3HD1 LEU 43 -2.136 -3.684 -3.690 342 HD21 LEU 43 3HD2 LEU 43 -5.127 -5.415 -2.413 343 HD22 LEU 43 1HD2 LEU 43 -6.299 -4.403 -3.259 344 HD23 LEU 43 2HD2 LEU 43 -5.396 -3.748 -1.891 345 HA PRO 44 HA PRO 44 -8.141 1.019 -5.584 346 HB2 PRO 44 2HB PRO 44 -9.057 1.518 -3.033 347 HB3 PRO 44 3HB PRO 44 -9.913 0.546 -4.235 348 HG2 PRO 44 2HG PRO 44 -8.182 -0.333 -1.965 349 HG3 PRO 44 3HG PRO 44 -9.700 -1.033 -2.556 350 HD2 PRO 44 2HD PRO 44 -7.318 -2.131 -3.130 351 HD3 PRO 44 3HD PRO 44 -8.653 -2.144 -4.298 352 H VAL 45 H VAL 45 -7.039 2.831 -5.777 353 HA VAL 45 HA VAL 45 -4.766 3.360 -4.063 354 HB VAL 45 HB VAL 45 -4.252 5.177 -5.657 355 HG11 VAL 45 1HG1 VAL 45 -4.892 2.530 -6.952 356 HG12 VAL 45 2HG1 VAL 45 -3.412 2.934 -6.086 357 HG13 VAL 45 3HG1 VAL 45 -3.797 3.750 -7.601 358 HG21 VAL 45 3HG2 VAL 45 -6.752 4.264 -7.080 359 HG22 VAL 45 1HG2 VAL 45 -5.593 5.445 -7.686 360 HG23 VAL 45 2HG2 VAL 45 -6.545 5.802 -6.243 361 H SER 46 H SER 46 -7.624 3.776 -3.146 362 HA SER 46 HA SER 46 -7.399 6.626 -2.468 363 HB2 SER 46 2HB SER 46 -9.442 5.964 -3.775 364 HB3 SER 46 3HB SER 46 -9.918 4.949 -2.416 365 HG SER 46 HG SER 46 -9.292 7.622 -1.881 366 H GLY 47 H GLY 47 -7.236 7.192 -0.396 367 HA2 GLY 47 2HA GLY 47 -8.190 6.285 1.895 368 HA3 GLY 47 3HA GLY 47 -6.985 5.047 1.566 369 H THR 48 H THR 48 -6.530 6.253 3.812 370 HA THR 48 HA THR 48 -4.854 8.590 3.456 371 HB THR 48 HB THR 48 -4.504 8.342 5.939 372 HG1 THR 48 HG1 THR 48 -6.097 6.843 6.922 373 HG21 THR 48 3HG2 THR 48 -6.263 9.792 5.023 374 HG22 THR 48 1HG2 THR 48 -6.763 9.051 6.542 375 HG23 THR 48 2HG2 THR 48 -7.378 8.427 5.012 376 H LYS 49 H LYS 49 -2.677 8.540 4.612 377 HA LYS 49 HA LYS 49 -0.852 6.816 3.486 378 HB2 LYS 49 2HB LYS 49 -0.215 8.864 4.650 379 HB3 LYS 49 3HB LYS 49 -0.722 8.178 6.184 380 HG2 LYS 49 2HG LYS 49 1.650 8.095 6.088 381 HG3 LYS 49 3HG LYS 49 1.048 6.446 5.914 382 HD2 LYS 49 2HD LYS 49 1.345 6.610 3.484 383 HD3 LYS 49 3HD LYS 49 1.967 8.251 3.676 384 HE2 LYS 49 2HE LYS 49 3.191 5.753 4.842 385 HE3 LYS 49 3HE LYS 49 3.773 6.612 3.419 386 HZ1 LYS 49 3HZ LYS 49 3.677 7.679 6.192 387 HZ2 LYS 49 1HZ LYS 49 4.169 8.558 4.827 388 HZ3 LYS 49 2HZ LYS 49 5.064 7.212 5.341 389 H THR 50 H THR 50 -2.399 6.503 6.667 390 HA THR 50 HA THR 50 -1.175 4.070 7.378 391 HB THR 50 HB THR 50 -3.355 3.931 8.862 392 HG1 THR 50 HG1 THR 50 -4.478 5.792 8.983 393 HG21 THR 50 3HG2 THR 50 -1.109 4.398 9.706 394 HG22 THR 50 1HG2 THR 50 -2.303 5.441 10.479 395 HG23 THR 50 2HG2 THR 50 -1.265 6.083 9.206 396 H GLU 51 H GLU 51 -4.295 4.789 5.828 397 HA GLU 51 HA GLU 51 -5.293 2.185 5.734 398 HB2 GLU 51 2HB GLU 51 -5.780 4.648 4.124 399 HB3 GLU 51 3HB GLU 51 -6.421 3.120 3.538 400 HG2 GLU 51 2HG GLU 51 -7.004 4.419 6.190 401 HG3 GLU 51 3HG GLU 51 -8.100 4.269 4.815 402 H LEU 52 H LEU 52 -3.294 3.911 3.356 403 HA LEU 52 HA LEU 52 -3.355 1.879 1.408 404 HB2 LEU 52 2HB LEU 52 -1.113 3.851 1.844 405 HB3 LEU 52 3HB LEU 52 -1.523 3.028 0.352 406 HG LEU 52 HG LEU 52 -3.117 5.191 1.723 407 HD11 LEU 52 1HD1 LEU 52 -2.659 6.449 -0.322 408 HD12 LEU 52 2HD1 LEU 52 -1.676 5.111 -0.919 409 HD13 LEU 52 3HD1 LEU 52 -1.179 5.999 0.523 410 HD21 LEU 52 3HD2 LEU 52 -4.704 5.038 -0.092 411 HD22 LEU 52 1HD2 LEU 52 -4.598 3.485 0.738 412 HD23 LEU 52 2HD2 LEU 52 -3.793 3.713 -0.815 413 H ILE 53 H ILE 53 -1.069 2.534 4.036 414 HA ILE 53 HA ILE 53 0.781 0.504 3.434 415 HB ILE 53 HB ILE 53 0.066 1.705 6.119 416 HG12 ILE 53 2HG1 ILE 53 2.338 2.302 4.210 417 HG13 ILE 53 3HG1 ILE 53 0.919 3.316 4.456 418 HG21 ILE 53 1HG2 ILE 53 2.189 0.836 6.925 419 HG22 ILE 53 2HG2 ILE 53 2.490 0.082 5.359 420 HG23 ILE 53 3HG2 ILE 53 1.155 -0.482 6.363 421 HD11 ILE 53 3HD1 ILE 53 1.586 3.696 6.766 422 HD12 ILE 53 1HD1 ILE 53 2.856 4.179 5.644 423 HD13 ILE 53 2HD1 ILE 53 2.994 2.664 6.536 424 H GLU 54 H GLU 54 -1.994 0.516 5.658 425 HA GLU 54 HA GLU 54 -1.650 -2.158 6.514 426 HB2 GLU 54 2HB GLU 54 -4.089 -0.375 6.574 427 HB3 GLU 54 3HB GLU 54 -3.968 -1.922 7.400 428 HG2 GLU 54 2HG GLU 54 -2.109 0.386 7.902 429 HG3 GLU 54 3HG GLU 54 -3.578 0.090 8.829 430 H ARG 55 H ARG 55 -3.460 -0.708 3.877 431 HA ARG 55 HA ARG 55 -5.013 -2.986 3.234 432 HB2 ARG 55 2HB ARG 55 -5.404 -0.589 2.516 433 HB3 ARG 55 3HB ARG 55 -4.133 -0.823 1.325 434 HG2 ARG 55 2HG ARG 55 -5.401 -2.267 0.059 435 HG3 ARG 55 3HG ARG 55 -6.440 -2.710 1.417 436 HD2 ARG 55 2HD ARG 55 -6.413 -0.078 -0.057 437 HD3 ARG 55 3HD ARG 55 -7.678 -1.308 -0.109 438 HE ARG 55 HE ARG 55 -7.059 0.449 2.161 439 HH11 ARG 55 1HH1 ARG 55 -9.150 -1.910 0.628 440 HH12 ARG 55 2HH1 ARG 55 -10.431 -1.701 1.792 441 HH21 ARG 55 1HH2 ARG 55 -8.746 0.717 3.700 442 HH22 ARG 55 2HH2 ARG 55 -10.205 -0.224 3.514 443 H LEU 56 H LEU 56 -1.883 -1.800 2.094 444 HA LEU 56 HA LEU 56 -1.363 -3.880 0.257 445 HB2 LEU 56 2HB LEU 56 0.428 -2.068 1.860 446 HB3 LEU 56 3HB LEU 56 1.078 -3.287 0.782 447 HG LEU 56 HG LEU 56 -0.787 -1.098 -0.127 448 HD11 LEU 56 1HD1 LEU 56 1.200 0.017 -1.009 449 HD12 LEU 56 2HD1 LEU 56 2.224 -1.203 -0.252 450 HD13 LEU 56 3HD1 LEU 56 1.266 -0.113 0.748 451 HD21 LEU 56 3HD2 LEU 56 0.053 -1.708 -2.347 452 HD22 LEU 56 1HD2 LEU 56 -0.737 -3.072 -1.557 453 HD23 LEU 56 2HD2 LEU 56 1.024 -2.992 -1.625 454 H ARG 57 H ARG 57 -0.467 -3.465 3.662 455 HA ARG 57 HA ARG 57 0.961 -5.847 3.955 456 HB2 ARG 57 2HB ARG 57 -0.269 -3.862 5.772 457 HB3 ARG 57 3HB ARG 57 0.080 -5.441 6.465 458 HG2 ARG 57 2HG ARG 57 2.300 -5.121 6.417 459 HG3 ARG 57 3HG ARG 57 2.252 -4.286 4.867 460 HD2 ARG 57 2HD ARG 57 3.007 -2.888 6.791 461 HD3 ARG 57 3HD ARG 57 1.637 -2.239 5.898 462 HE ARG 57 HE ARG 57 0.217 -2.799 7.724 463 HH11 ARG 57 1HH1 ARG 57 3.613 -3.424 8.396 464 HH12 ARG 57 2HH1 ARG 57 3.411 -3.292 10.122 465 HH21 ARG 57 1HH2 ARG 57 -0.033 -2.619 9.960 466 HH22 ARG 57 2HH2 ARG 57 1.334 -2.855 11.015 467 H ALA 58 H ALA 58 -2.477 -5.175 4.555 468 HA ALA 58 HA ALA 58 -3.111 -7.736 5.564 469 HB1 ALA 58 3HB ALA 58 -4.893 -5.716 4.210 470 HB2 ALA 58 1HB ALA 58 -4.548 -5.817 5.935 471 HB3 ALA 58 2HB ALA 58 -5.444 -7.110 5.139 472 H TYR 59 H TYR 59 -2.964 -6.437 2.303 473 HA TYR 59 HA TYR 59 -4.216 -8.674 1.055 474 HB2 TYR 59 2HB TYR 59 -4.077 -6.468 -0.043 475 HB3 TYR 59 3HB TYR 59 -2.326 -6.623 -0.129 476 HD1 TYR 59 HD2 TYR 59 -5.410 -8.459 -1.159 477 HD2 TYR 59 HD1 TYR 59 -1.401 -7.403 -2.094 478 HE1 TYR 59 HE2 TYR 59 -5.634 -9.580 -3.335 479 HE2 TYR 59 HE1 TYR 59 -1.604 -8.518 -4.278 480 HH TYR 59 HH TYR 59 -2.965 -10.292 -5.331 481 H GLN 60 H GLN 60 -0.853 -7.756 1.674 482 HA GLN 60 HA GLN 60 0.270 -10.008 0.332 483 HB2 GLN 60 2HB GLN 60 1.320 -7.710 1.019 484 HB3 GLN 60 3HB GLN 60 1.662 -8.519 2.539 485 HG2 GLN 60 2HG GLN 60 2.542 -9.651 -0.097 486 HG3 GLN 60 3HG GLN 60 3.499 -8.461 0.778 487 HE21 GLN 60 1HE2 GLN 60 4.162 -11.207 0.088 488 HE22 GLN 60 2HE2 GLN 60 4.484 -12.019 1.588 489 H ASP 61 H ASP 61 -0.842 -9.370 3.576 490 HA ASP 61 HA ASP 61 0.313 -11.532 4.925 491 HB2 ASP 61 2HB ASP 61 -0.701 -9.791 6.202 492 HB3 ASP 61 3HB ASP 61 -2.248 -10.005 5.391 493 H GLN 62 H GLN 62 -2.803 -11.300 3.226 494 HA GLN 62 HA GLN 62 -3.526 -13.990 3.891 495 HB2 GLN 62 2HB GLN 62 -5.457 -13.622 2.421 496 HB3 GLN 62 3HB GLN 62 -5.251 -12.309 3.572 497 HG2 GLN 62 2HG GLN 62 -4.071 -11.054 1.730 498 HG3 GLN 62 3HG GLN 62 -4.639 -12.312 0.635 499 HE21 GLN 62 1HE2 GLN 62 -5.544 -9.632 2.644 500 HE22 GLN 62 2HE2 GLN 62 -7.149 -9.455 2.024 501 H ILE 63 H ILE 63 -1.685 -12.536 1.369 502 HA ILE 63 HA ILE 63 -1.794 -14.707 -0.479 503 HB ILE 63 HB ILE 63 0.322 -12.592 -0.028 504 HG12 ILE 63 2HG1 ILE 63 -1.770 -12.868 -2.199 505 HG13 ILE 63 3HG1 ILE 63 -1.871 -11.769 -0.826 506 HG21 ILE 63 1HG2 ILE 63 1.352 -14.541 -1.029 507 HG22 ILE 63 2HG2 ILE 63 1.237 -13.237 -2.210 508 HG23 ILE 63 3HG2 ILE 63 0.105 -14.587 -2.273 509 HD11 ILE 63 3HD1 ILE 63 0.234 -11.697 -2.977 510 HD12 ILE 63 1HD1 ILE 63 0.097 -10.581 -1.618 511 HD13 ILE 63 2HD1 ILE 63 -1.161 -10.622 -2.854 512 H SER 64 H SER 64 0.153 -13.885 2.305 513 HA SER 64 HA SER 64 2.045 -15.995 2.007 514 HB2 SER 64 2HB SER 64 1.322 -14.403 4.482 515 HB3 SER 64 3HB SER 64 2.804 -15.324 4.224 516 HG SER 64 HG SER 64 1.946 -12.972 2.884 517 HA PRO 65 HA PRO 65 -0.230 -19.424 3.656 518 HB2 PRO 65 2HB PRO 65 2.287 -20.224 4.993 519 HB3 PRO 65 3HB PRO 65 1.309 -21.109 3.818 520 HG2 PRO 65 2HG PRO 65 3.658 -20.033 3.134 521 HG3 PRO 65 3HG PRO 65 2.288 -20.051 2.008 522 HD2 PRO 65 2HD PRO 65 3.343 -17.801 3.676 523 HD3 PRO 65 3HD PRO 65 2.734 -17.778 2.007 524 H VAL 66 H VAL 66 -1.606 -19.061 5.265 525 HA VAL 66 HA VAL 66 -0.702 -17.816 7.720 526 HB VAL 66 HB VAL 66 -3.071 -17.784 8.375 527 HG11 VAL 66 1HG1 VAL 66 -2.209 -15.928 7.087 528 HG12 VAL 66 2HG1 VAL 66 -3.873 -16.264 6.606 529 HG13 VAL 66 3HG1 VAL 66 -2.536 -16.786 5.580 530 HG21 VAL 66 3HG2 VAL 66 -3.822 -19.849 7.340 531 HG22 VAL 66 1HG2 VAL 66 -3.557 -19.165 5.737 532 HG23 VAL 66 2HG2 VAL 66 -4.806 -18.495 6.785 533 HA PRO 67 HA PRO 67 -0.177 -21.689 9.794 534 HB2 PRO 67 2HB PRO 67 0.210 -20.738 12.284 535 HB3 PRO 67 3HB PRO 67 1.415 -20.540 11.005 536 HG2 PRO 67 2HG PRO 67 -0.600 -18.576 12.030 537 HG3 PRO 67 3HG PRO 67 1.105 -18.318 11.614 538 HD2 PRO 67 2HD PRO 67 -0.966 -17.672 9.955 539 HD3 PRO 67 3HD PRO 67 0.654 -18.110 9.379 540 H GLY 68 H GLY 68 -2.883 -21.061 9.240 541 HA2 GLY 68 2HA GLY 68 -4.916 -21.938 9.990 542 HA3 GLY 68 3HA GLY 68 -4.171 -22.250 11.554 543 H ALA 69 H ALA 69 -6.059 -20.091 9.689 544 HA ALA 69 HA ALA 69 -6.549 -18.418 12.002 545 HB1 ALA 69 3HB ALA 69 -4.584 -17.343 11.019 546 HB2 ALA 69 1HB ALA 69 -6.013 -16.322 10.862 547 HB3 ALA 69 2HB ALA 69 -5.416 -17.224 9.470 548 HA PRO 70 HA PRO 70 -10.625 -18.334 10.225 549 HB2 PRO 70 2HB PRO 70 -10.794 -15.620 11.415 550 HB3 PRO 70 3HB PRO 70 -11.843 -17.020 11.657 551 HG2 PRO 70 2HG PRO 70 -10.136 -16.257 13.553 552 HG3 PRO 70 3HG PRO 70 -10.421 -17.979 13.226 553 HD2 PRO 70 2HD PRO 70 -8.117 -16.247 12.409 554 HD3 PRO 70 3HD PRO 70 -8.117 -17.926 12.985 555 H LYS 71 H LYS 71 -10.931 -17.968 8.135 556 HA LYS 71 HA LYS 71 -9.467 -15.942 6.741 557 HB2 LYS 71 2HB LYS 71 -9.881 -18.138 5.737 558 HB3 LYS 71 3HB LYS 71 -11.612 -17.836 5.765 559 HG2 LYS 71 2HG LYS 71 -11.447 -16.167 4.105 560 HG3 LYS 71 3HG LYS 71 -9.688 -16.101 4.244 561 HD2 LYS 71 2HD LYS 71 -9.508 -18.353 3.352 562 HD3 LYS 71 3HD LYS 71 -11.267 -18.487 3.282 563 HE2 LYS 71 2HE LYS 71 -9.731 -16.366 1.801 564 HE3 LYS 71 3HE LYS 71 -10.078 -17.949 1.109 565 HZ1 LYS 71 3HZ LYS 71 -11.715 -16.319 0.431 566 HZ2 LYS 71 1HZ LYS 71 -12.109 -15.990 2.047 567 HZ3 LYS 71 2HZ LYS 71 -12.439 -17.515 1.387 568 H ALA 72 H ALA 72 -10.158 -14.011 7.544 569 HA ALA 72 HA ALA 72 -12.557 -12.986 6.271 570 HB1 ALA 72 3HB ALA 72 -13.387 -13.614 8.465 571 HB2 ALA 72 1HB ALA 72 -13.327 -11.858 8.321 572 HB3 ALA 72 2HB ALA 72 -12.087 -12.711 9.240 573 HA PRO 73 HA PRO 73 -8.934 -10.216 5.904 574 HB2 PRO 73 2HB PRO 73 -9.965 -9.618 3.252 575 HB3 PRO 73 3HB PRO 73 -8.444 -10.391 3.701 576 HG2 PRO 73 2HG PRO 73 -10.479 -11.713 2.471 577 HG3 PRO 73 3HG PRO 73 -9.326 -12.503 3.560 578 HD2 PRO 73 2HD PRO 73 -12.119 -11.573 4.106 579 HD3 PRO 73 3HD PRO 73 -11.304 -13.063 4.631 580 H ALA 74 H ALA 74 -8.863 -8.085 6.301 581 HA ALA 74 HA ALA 74 -11.376 -6.625 6.400 582 HB1 ALA 74 3HB ALA 74 -9.859 -6.549 8.330 583 HB2 ALA 74 1HB ALA 74 -10.143 -4.947 7.650 584 HB3 ALA 74 2HB ALA 74 -8.627 -5.787 7.324 585 H ALA 75 H ALA 75 -11.983 -5.173 4.935 586 HA ALA 75 HA ALA 75 -9.985 -3.953 3.180 587 HB1 ALA 75 3HB ALA 75 -11.263 -4.452 1.183 588 HB2 ALA 75 1HB ALA 75 -12.477 -5.305 2.138 589 HB3 ALA 75 2HB ALA 75 -10.842 -5.954 2.010 Start of MODEL 7 1 H1 MET 1 1H MET 1 3.698 21.309 -33.351 2 H2 MET 1 2H MET 1 3.746 21.299 -35.046 3 H3 MET 1 3H MET 1 4.398 20.002 -34.168 4 HA MET 1 HA MET 1 1.543 20.777 -34.198 5 HB2 MET 1 2HB MET 1 3.050 18.595 -35.637 6 HB3 MET 1 3HB MET 1 1.317 18.515 -35.369 7 HG2 MET 1 2HG MET 1 1.683 19.333 -37.565 8 HG3 MET 1 3HG MET 1 1.091 20.672 -36.585 9 HE1 MET 1 3HE MET 1 2.457 21.009 -39.433 10 HE2 MET 1 1HE MET 1 3.500 22.402 -39.136 11 HE3 MET 1 2HE MET 1 1.867 22.363 -38.470 12 H GLY 2 H GLY 2 0.555 20.172 -32.412 13 HA2 GLY 2 2HA GLY 2 -0.080 18.146 -31.111 14 HA3 GLY 2 3HA GLY 2 1.644 17.837 -30.956 15 H HIS 3 H HIS 3 -0.923 20.116 -30.106 16 HA HIS 3 HA HIS 3 0.757 21.382 -28.094 17 HB2 HIS 3 2HB HIS 3 -2.152 21.835 -28.803 18 HB3 HIS 3 3HB HIS 3 -1.231 22.799 -27.654 19 HD1 HIS 3 HD1 HIS 3 -2.447 23.084 -30.898 20 HD2 HIS 3 HD2 HIS 3 1.295 23.757 -29.213 21 HE1 HIS 3 HE1 HIS 3 -1.265 24.640 -32.476 22 HE2 HIS 3 HE2 HIS 3 1.071 24.849 -31.553 23 H HIS 4 H HIS 4 -1.067 18.617 -28.237 24 HA HIS 4 HA HIS 4 -1.947 18.793 -25.439 25 HB2 HIS 4 2HB HIS 4 -2.681 16.797 -27.591 26 HB3 HIS 4 3HB HIS 4 -3.280 16.762 -25.939 27 HD1 HIS 4 HD1 HIS 4 -4.245 19.496 -25.392 28 HD2 HIS 4 HD2 HIS 4 -4.643 17.759 -29.149 29 HE1 HIS 4 HE1 HIS 4 -6.131 20.725 -26.510 30 HE2 HIS 4 HE2 HIS 4 -6.483 19.522 -28.701 31 H HIS 5 H HIS 5 0.797 18.511 -26.031 32 HA HIS 5 HA HIS 5 1.777 15.889 -26.022 33 HB2 HIS 5 2HB HIS 5 3.192 17.817 -26.502 34 HB3 HIS 5 3HB HIS 5 2.979 18.414 -24.861 35 HD1 HIS 5 HD1 HIS 5 4.957 17.993 -23.464 36 HD2 HIS 5 HD2 HIS 5 4.427 15.012 -26.322 37 HE1 HIS 5 HE1 HIS 5 6.867 16.384 -23.134 38 HE2 HIS 5 HE2 HIS 5 6.653 14.731 -25.030 39 H HIS 6 H HIS 6 0.949 18.048 -23.347 40 HA HIS 6 HA HIS 6 1.450 15.860 -21.439 41 HB2 HIS 6 2HB HIS 6 2.566 18.179 -21.241 42 HB3 HIS 6 3HB HIS 6 0.983 18.763 -20.753 43 HD1 HIS 6 HD1 HIS 6 3.246 19.054 -18.807 44 HD2 HIS 6 HD2 HIS 6 0.822 15.677 -18.917 45 HE1 HIS 6 HE1 HIS 6 3.411 18.029 -16.519 46 HE2 HIS 6 HE2 HIS 6 2.041 15.922 -16.646 47 H HIS 7 H HIS 7 -0.960 16.110 -23.158 48 HA HIS 7 HA HIS 7 -2.908 15.928 -20.995 49 HB2 HIS 7 2HB HIS 7 -2.807 18.307 -22.125 50 HB3 HIS 7 3HB HIS 7 -3.716 17.511 -23.405 51 HD1 HIS 7 HD1 HIS 7 -6.057 16.402 -22.600 52 HD2 HIS 7 HD2 HIS 7 -4.304 19.129 -19.998 53 HE1 HIS 7 HE1 HIS 7 -7.878 17.085 -21.010 54 HE2 HIS 7 HE2 HIS 7 -6.770 18.644 -19.371 55 H HIS 8 H HIS 8 -1.883 13.818 -22.278 56 HA HIS 8 HA HIS 8 -4.047 12.384 -23.215 57 HB2 HIS 8 2HB HIS 8 -3.800 13.995 -25.196 58 HB3 HIS 8 3HB HIS 8 -2.307 13.139 -25.566 59 HD1 HIS 8 HD1 HIS 8 -2.530 11.100 -27.006 60 HD2 HIS 8 HD2 HIS 8 -6.146 12.218 -25.267 61 HE1 HIS 8 HE1 HIS 8 -4.276 9.605 -28.033 62 HE2 HIS 8 HE2 HIS 8 -6.439 10.238 -26.910 63 H SER 9 H SER 9 -0.622 12.936 -23.211 64 HA SER 9 HA SER 9 0.083 10.277 -24.019 65 HB2 SER 9 2HB SER 9 1.897 12.350 -22.782 66 HB3 SER 9 3HB SER 9 2.350 11.004 -23.830 67 HG SER 9 HG SER 9 1.551 13.492 -24.487 68 H HIS 10 H HIS 10 -1.284 9.328 -22.228 69 HA HIS 10 HA HIS 10 0.553 8.741 -20.011 70 HB2 HIS 10 2HB HIS 10 -1.239 10.127 -19.076 71 HB3 HIS 10 3HB HIS 10 -2.453 9.041 -19.748 72 HD1 HIS 10 HD1 HIS 10 -3.339 7.402 -18.097 73 HD2 HIS 10 HD2 HIS 10 0.563 8.553 -17.205 74 HE1 HIS 10 HE1 HIS 10 -2.733 6.182 -15.983 75 HE2 HIS 10 HE2 HIS 10 -0.307 6.739 -15.579 76 H MET 11 H MET 11 1.230 6.755 -20.376 77 HA MET 11 HA MET 11 -0.733 4.628 -20.615 78 HB2 MET 11 2HB MET 11 -0.229 5.170 -22.951 79 HB3 MET 11 3HB MET 11 1.491 4.999 -22.635 80 HG2 MET 11 2HG MET 11 1.176 2.634 -22.142 81 HG3 MET 11 3HG MET 11 -0.555 2.797 -22.441 82 HE1 MET 11 3HE MET 11 -0.666 3.591 -26.266 83 HE2 MET 11 1HE MET 11 -0.633 4.755 -24.941 84 HE3 MET 11 2HE MET 11 -1.611 3.294 -24.807 85 H SER 12 H SER 12 -0.213 3.251 -19.077 86 HA SER 12 HA SER 12 2.368 3.175 -17.863 87 HB2 SER 12 2HB SER 12 0.052 1.246 -17.575 88 HB3 SER 12 3HB SER 12 1.428 1.392 -16.482 89 HG SER 12 HG SER 12 0.667 3.705 -16.337 90 H THR 13 H THR 13 4.080 2.247 -18.728 91 HA THR 13 HA THR 13 3.914 0.276 -20.792 92 HB THR 13 HB THR 13 6.531 0.249 -20.059 93 HG1 THR 13 HG1 THR 13 6.124 2.957 -19.718 94 HG21 THR 13 3HG2 THR 13 6.865 1.984 -21.784 95 HG22 THR 13 1HG2 THR 13 5.138 2.334 -21.742 96 HG23 THR 13 2HG2 THR 13 5.706 0.756 -22.288 97 HA PRO 14 HA PRO 14 3.987 -3.601 -18.809 98 HB2 PRO 14 2HB PRO 14 6.463 -4.681 -19.541 99 HB3 PRO 14 3HB PRO 14 4.962 -4.797 -20.461 100 HG2 PRO 14 2HG PRO 14 7.247 -2.916 -20.791 101 HG3 PRO 14 3HG PRO 14 6.227 -3.674 -22.027 102 HD2 PRO 14 2HD PRO 14 5.897 -1.112 -21.354 103 HD3 PRO 14 3HD PRO 14 4.499 -2.149 -21.716 104 H LEU 15 H LEU 15 4.235 -4.086 -16.772 105 HA LEU 15 HA LEU 15 6.562 -3.090 -15.302 106 HB2 LEU 15 2HB LEU 15 4.326 -2.595 -14.418 107 HB3 LEU 15 3HB LEU 15 3.972 -4.308 -14.334 108 HG LEU 15 HG LEU 15 5.817 -4.554 -12.674 109 HD11 LEU 15 1HD1 LEU 15 6.628 -2.515 -11.565 110 HD12 LEU 15 2HD1 LEU 15 5.812 -1.541 -12.790 111 HD13 LEU 15 3HD1 LEU 15 7.136 -2.611 -13.252 112 HD21 LEU 15 3HD2 LEU 15 4.549 -3.571 -10.824 113 HD22 LEU 15 1HD2 LEU 15 3.499 -4.393 -11.977 114 HD23 LEU 15 2HD2 LEU 15 3.602 -2.632 -11.977 115 H THR 16 H THR 16 8.151 -4.542 -15.866 116 HA THR 16 HA THR 16 7.679 -7.344 -15.106 117 HB THR 16 HB THR 16 9.551 -7.839 -16.772 118 HG1 THR 16 HG1 THR 16 10.346 -5.801 -17.195 119 HG21 THR 16 3HG2 THR 16 7.220 -8.402 -17.218 120 HG22 THR 16 1HG2 THR 16 8.015 -7.839 -18.688 121 HG23 THR 16 2HG2 THR 16 6.925 -6.766 -17.809 122 H GLY 17 H GLY 17 9.330 -8.455 -14.054 123 HA2 GLY 17 2HA GLY 17 11.414 -8.762 -13.060 124 HA3 GLY 17 3HA GLY 17 11.849 -7.122 -13.512 125 H LYS 18 H LYS 18 9.276 -8.542 -11.481 126 HA LYS 18 HA LYS 18 10.459 -7.435 -9.102 127 HB2 LYS 18 2HB LYS 18 8.581 -6.020 -8.468 128 HB3 LYS 18 3HB LYS 18 9.281 -5.463 -9.981 129 HG2 LYS 18 2HG LYS 18 7.469 -6.267 -11.242 130 HG3 LYS 18 3HG LYS 18 6.876 -7.259 -9.908 131 HD2 LYS 18 2HD LYS 18 6.955 -4.243 -9.907 132 HD3 LYS 18 3HD LYS 18 5.530 -5.212 -10.279 133 HE2 LYS 18 2HE LYS 18 5.672 -6.234 -8.039 134 HE3 LYS 18 3HE LYS 18 7.048 -5.194 -7.672 135 HZ1 LYS 18 3HZ LYS 18 4.953 -4.331 -6.791 136 HZ2 LYS 18 1HZ LYS 18 4.319 -4.238 -8.358 137 HZ3 LYS 18 2HZ LYS 18 5.640 -3.266 -7.910 138 HA PRO 19 HA PRO 19 7.988 -10.739 -7.397 139 HB2 PRO 19 2HB PRO 19 8.336 -10.279 -4.785 140 HB3 PRO 19 3HB PRO 19 9.679 -10.803 -5.810 141 HG2 PRO 19 2HG PRO 19 9.023 -8.074 -4.789 142 HG3 PRO 19 3HG PRO 19 10.601 -8.861 -4.953 143 HD2 PRO 19 2HD PRO 19 9.547 -7.034 -6.749 144 HD3 PRO 19 3HD PRO 19 10.824 -8.206 -7.124 145 H GLY 20 H GLY 20 6.445 -10.775 -5.182 146 HA2 GLY 20 2HA GLY 20 4.387 -8.748 -5.792 147 HA3 GLY 20 3HA GLY 20 4.071 -10.334 -5.100 148 H ALA 21 H ALA 21 6.527 -9.852 -3.373 149 HA ALA 21 HA ALA 21 5.101 -9.143 -1.054 150 HB1 ALA 21 3HB ALA 21 7.003 -10.677 -1.043 151 HB2 ALA 21 1HB ALA 21 7.228 -9.352 0.101 152 HB3 ALA 21 2HB ALA 21 8.082 -9.338 -1.442 153 H LEU 22 H LEU 22 6.029 -7.526 0.550 154 HA LEU 22 HA LEU 22 6.335 -4.930 -0.809 155 HB2 LEU 22 2HB LEU 22 5.242 -5.479 1.952 156 HB3 LEU 22 3HB LEU 22 5.306 -3.924 1.149 157 HG LEU 22 HG LEU 22 3.619 -6.270 0.276 158 HD11 LEU 22 1HD1 LEU 22 2.830 -5.307 2.358 159 HD12 LEU 22 2HD1 LEU 22 1.742 -4.889 1.033 160 HD13 LEU 22 3HD1 LEU 22 2.883 -3.692 1.651 161 HD21 LEU 22 3HD2 LEU 22 4.314 -4.859 -1.595 162 HD22 LEU 22 1HD2 LEU 22 3.723 -3.432 -0.740 163 HD23 LEU 22 2HD2 LEU 22 2.591 -4.684 -1.258 164 HA PRO 23 HA PRO 23 10.199 -4.448 1.436 165 HB2 PRO 23 2HB PRO 23 10.391 -1.745 1.341 166 HB3 PRO 23 3HB PRO 23 10.730 -2.772 -0.057 167 HG2 PRO 23 2HG PRO 23 8.258 -1.215 0.599 168 HG3 PRO 23 3HG PRO 23 9.086 -1.401 -0.960 169 HD2 PRO 23 2HD PRO 23 6.858 -2.809 -0.290 170 HD3 PRO 23 3HD PRO 23 8.114 -3.449 -1.369 171 H ALA 24 H ALA 24 10.938 -3.609 3.479 172 HA ALA 24 HA ALA 24 8.762 -3.389 5.386 173 HB1 ALA 24 3HB ALA 24 10.675 -4.874 5.834 174 HB2 ALA 24 1HB ALA 24 10.462 -3.657 7.092 175 HB3 ALA 24 2HB ALA 24 11.736 -3.465 5.888 176 H ASN 25 H ASN 25 9.764 -1.164 3.483 177 HA ASN 25 HA ASN 25 10.041 0.921 5.542 178 HB2 ASN 25 2HB ASN 25 11.199 0.767 2.762 179 HB3 ASN 25 3HB ASN 25 11.111 2.276 3.664 180 HD21 ASN 25 1HD2 ASN 25 12.361 2.532 5.524 181 HD22 ASN 25 2HD2 ASN 25 13.747 1.529 5.825 182 H LEU 26 H LEU 26 7.540 0.006 4.865 183 HA LEU 26 HA LEU 26 6.330 1.379 2.711 184 HB2 LEU 26 2HB LEU 26 5.110 0.219 5.217 185 HB3 LEU 26 3HB LEU 26 4.194 0.794 3.838 186 HG LEU 26 HG LEU 26 6.143 -1.515 3.799 187 HD11 LEU 26 1HD1 LEU 26 3.129 -1.461 3.711 188 HD12 LEU 26 2HD1 LEU 26 4.124 -2.050 5.043 189 HD13 LEU 26 3HD1 LEU 26 4.138 -2.891 3.493 190 HD21 LEU 26 3HD2 LEU 26 5.329 -1.910 1.550 191 HD22 LEU 26 1HD2 LEU 26 6.021 -0.293 1.671 192 HD23 LEU 26 2HD2 LEU 26 4.270 -0.503 1.664 193 H ASP 27 H ASP 27 7.019 2.280 6.014 194 HA ASP 27 HA ASP 27 5.218 4.533 5.990 195 HB2 ASP 27 2HB ASP 27 5.736 3.380 8.097 196 HB3 ASP 27 3HB ASP 27 7.430 3.835 7.934 197 H ASP 28 H ASP 28 8.489 3.918 5.082 198 HA ASP 28 HA ASP 28 9.285 6.694 5.065 199 HB2 ASP 28 2HB ASP 28 10.575 4.176 4.028 200 HB3 ASP 28 3HB ASP 28 11.257 5.768 3.711 201 H MET 29 H MET 29 7.664 4.550 2.948 202 HA MET 29 HA MET 29 8.225 5.922 0.508 203 HB2 MET 29 2HB MET 29 5.948 4.063 1.235 204 HB3 MET 29 3HB MET 29 6.312 4.626 -0.391 205 HG2 MET 29 2HG MET 29 8.438 3.490 -0.351 206 HG3 MET 29 3HG MET 29 8.174 3.000 1.320 207 HE1 MET 29 3HE MET 29 6.984 2.582 -2.402 208 HE2 MET 29 1HE MET 29 5.511 3.088 -1.578 209 HE3 MET 29 2HE MET 29 5.643 1.452 -2.218 210 H LYS 30 H LYS 30 6.780 7.271 -0.683 211 HA LYS 30 HA LYS 30 5.340 9.097 1.036 212 HB2 LYS 30 2HB LYS 30 5.622 9.186 -1.974 213 HB3 LYS 30 3HB LYS 30 5.047 10.483 -0.940 214 HG2 LYS 30 2HG LYS 30 7.197 11.160 -1.331 215 HG3 LYS 30 3HG LYS 30 7.413 10.247 0.162 216 HD2 LYS 30 2HD LYS 30 8.190 8.329 -1.072 217 HD3 LYS 30 3HD LYS 30 7.841 9.123 -2.606 218 HE2 LYS 30 2HE LYS 30 9.503 10.855 -2.046 219 HE3 LYS 30 3HE LYS 30 9.881 9.976 -0.564 220 HZ1 LYS 30 3HZ LYS 30 11.467 9.462 -2.295 221 HZ2 LYS 30 1HZ LYS 30 10.225 8.953 -3.335 222 HZ3 LYS 30 2HZ LYS 30 10.560 8.079 -1.921 223 H VAL 31 H VAL 31 3.137 9.835 0.419 224 HA VAL 31 HA VAL 31 1.287 7.761 0.487 225 HB VAL 31 HB VAL 31 0.830 10.585 -0.498 226 HG11 VAL 31 1HG1 VAL 31 -1.513 10.214 0.148 227 HG12 VAL 31 2HG1 VAL 31 -1.133 8.527 0.503 228 HG13 VAL 31 3HG1 VAL 31 -0.999 9.132 -1.148 229 HG21 VAL 31 3HG2 VAL 31 1.792 10.527 1.740 230 HG22 VAL 31 1HG2 VAL 31 0.542 9.400 2.263 231 HG23 VAL 31 2HG2 VAL 31 0.109 11.045 1.798 232 H ALA 32 H ALA 32 2.350 9.691 -2.299 233 HA ALA 32 HA ALA 32 0.656 8.482 -4.196 234 HB1 ALA 32 3HB ALA 32 1.804 10.612 -4.584 235 HB2 ALA 32 1HB ALA 32 2.109 9.454 -5.879 236 HB3 ALA 32 2HB ALA 32 3.348 9.759 -4.660 237 H GLU 33 H GLU 33 3.847 7.610 -2.994 238 HA GLU 33 HA GLU 33 4.428 5.654 -4.961 239 HB2 GLU 33 2HB GLU 33 5.463 5.764 -2.122 240 HB3 GLU 33 3HB GLU 33 6.196 4.913 -3.473 241 HG2 GLU 33 2HG GLU 33 5.914 7.893 -3.182 242 HG3 GLU 33 3HG GLU 33 7.391 6.954 -2.986 243 H LEU 34 H LEU 34 2.849 5.547 -1.815 244 HA LEU 34 HA LEU 34 2.552 2.751 -1.626 245 HB2 LEU 34 2HB LEU 34 0.790 4.949 -0.533 246 HB3 LEU 34 3HB LEU 34 0.730 3.267 -0.038 247 HG LEU 34 HG LEU 34 3.125 5.070 0.314 248 HD11 LEU 34 1HD1 LEU 34 1.032 4.189 2.297 249 HD12 LEU 34 2HD1 LEU 34 1.281 5.827 1.693 250 HD13 LEU 34 3HD1 LEU 34 2.514 5.059 2.691 251 HD21 LEU 34 3HD2 LEU 34 3.966 3.289 1.747 252 HD22 LEU 34 1HD2 LEU 34 3.674 2.688 0.115 253 HD23 LEU 34 2HD2 LEU 34 2.531 2.320 1.407 254 H LYS 35 H LYS 35 0.531 5.271 -3.060 255 HA LYS 35 HA LYS 35 -1.614 3.615 -3.814 256 HB2 LYS 35 2HB LYS 35 -0.618 6.186 -5.049 257 HB3 LYS 35 3HB LYS 35 -2.129 5.402 -5.485 258 HG2 LYS 35 2HG LYS 35 -2.874 5.635 -3.140 259 HG3 LYS 35 3HG LYS 35 -1.397 6.539 -2.798 260 HD2 LYS 35 2HD LYS 35 -2.045 8.203 -4.490 261 HD3 LYS 35 3HD LYS 35 -3.531 7.301 -4.792 262 HE2 LYS 35 2HE LYS 35 -4.160 7.626 -2.422 263 HE3 LYS 35 3HE LYS 35 -2.722 8.625 -2.206 264 HZ1 LYS 35 3HZ LYS 35 -3.612 10.100 -3.971 265 HZ2 LYS 35 1HZ LYS 35 -4.588 10.038 -2.585 266 HZ3 LYS 35 2HZ LYS 35 -5.039 9.184 -3.977 267 H GLN 36 H GLN 36 1.488 4.264 -5.294 268 HA GLN 36 HA GLN 36 0.964 3.117 -7.821 269 HB2 GLN 36 2HB GLN 36 3.540 3.398 -6.267 270 HB3 GLN 36 3HB GLN 36 3.463 2.813 -7.923 271 HG2 GLN 36 2HG GLN 36 2.433 5.493 -7.033 272 HG3 GLN 36 3HG GLN 36 4.047 5.221 -7.686 273 HE21 GLN 36 1HE2 GLN 36 3.225 3.265 -9.638 274 HE22 GLN 36 2HE2 GLN 36 2.375 4.124 -10.878 275 H GLU 37 H GLU 37 2.249 1.740 -4.812 276 HA GLU 37 HA GLU 37 2.595 -0.872 -5.822 277 HB2 GLU 37 2HB GLU 37 2.303 0.233 -3.038 278 HB3 GLU 37 3HB GLU 37 2.463 -1.495 -3.327 279 HG2 GLU 37 2HG GLU 37 4.446 0.580 -4.239 280 HG3 GLU 37 3HG GLU 37 4.595 -0.369 -2.761 281 H LEU 38 H LEU 38 -0.159 0.804 -4.486 282 HA LEU 38 HA LEU 38 -1.846 -1.466 -4.204 283 HB2 LEU 38 2HB LEU 38 -2.469 1.467 -4.528 284 HB3 LEU 38 3HB LEU 38 -3.687 0.245 -4.219 285 HG LEU 38 HG LEU 38 -1.379 0.803 -2.359 286 HD11 LEU 38 1HD1 LEU 38 -4.220 1.808 -2.242 287 HD12 LEU 38 2HD1 LEU 38 -2.785 2.782 -2.560 288 HD13 LEU 38 3HD1 LEU 38 -2.998 2.016 -0.987 289 HD21 LEU 38 3HD2 LEU 38 -3.953 -0.747 -2.019 290 HD22 LEU 38 1HD2 LEU 38 -2.788 -0.408 -0.737 291 HD23 LEU 38 2HD2 LEU 38 -2.324 -1.419 -2.105 292 H LYS 39 H LYS 39 -1.682 1.075 -6.712 293 HA LYS 39 HA LYS 39 -3.765 0.046 -8.287 294 HB2 LYS 39 2HB LYS 39 -2.976 1.553 -10.037 295 HB3 LYS 39 3HB LYS 39 -2.956 2.357 -8.475 296 HG2 LYS 39 2HG LYS 39 -0.527 1.932 -8.327 297 HG3 LYS 39 3HG LYS 39 -0.579 1.225 -9.940 298 HD2 LYS 39 2HD LYS 39 0.183 3.520 -10.073 299 HD3 LYS 39 3HD LYS 39 -1.404 3.378 -10.826 300 HE2 LYS 39 2HE LYS 39 -2.474 4.339 -8.913 301 HE3 LYS 39 3HE LYS 39 -0.973 4.300 -7.990 302 HZ1 LYS 39 3HZ LYS 39 -1.293 5.875 -10.484 303 HZ2 LYS 39 1HZ LYS 39 -0.045 5.981 -9.344 304 HZ3 LYS 39 2HZ LYS 39 -1.604 6.513 -8.944 305 H LEU 40 H LEU 40 -0.415 -0.854 -8.108 306 HA LEU 40 HA LEU 40 -0.434 -2.223 -10.651 307 HB2 LEU 40 2HB LEU 40 1.605 -2.160 -8.430 308 HB3 LEU 40 3HB LEU 40 1.842 -2.959 -9.974 309 HG LEU 40 HG LEU 40 1.392 0.008 -9.610 310 HD11 LEU 40 1HD1 LEU 40 3.906 -1.519 -10.264 311 HD12 LEU 40 2HD1 LEU 40 3.554 -0.717 -8.733 312 HD13 LEU 40 3HD1 LEU 40 3.740 0.237 -10.207 313 HD21 LEU 40 3HD2 LEU 40 2.028 0.146 -11.972 314 HD22 LEU 40 1HD2 LEU 40 0.556 -0.802 -11.745 315 HD23 LEU 40 2HD2 LEU 40 2.091 -1.613 -12.053 316 H ARG 41 H ARG 41 -1.357 -2.978 -7.456 317 HA ARG 41 HA ARG 41 -1.183 -5.867 -8.025 318 HB2 ARG 41 2HB ARG 41 -1.306 -4.374 -5.406 319 HB3 ARG 41 3HB ARG 41 -1.533 -6.113 -5.527 320 HG2 ARG 41 2HG ARG 41 0.719 -6.361 -6.418 321 HG3 ARG 41 3HG ARG 41 0.947 -4.611 -6.355 322 HD2 ARG 41 2HD ARG 41 0.602 -4.676 -3.917 323 HD3 ARG 41 3HD ARG 41 0.430 -6.426 -3.999 324 HE ARG 41 HE ARG 41 2.701 -6.586 -3.995 325 HH11 ARG 41 1HH1 ARG 41 1.850 -3.445 -5.262 326 HH12 ARG 41 2HH1 ARG 41 3.471 -2.819 -5.171 327 HH21 ARG 41 1HH2 ARG 41 4.841 -5.747 -3.816 328 HH22 ARG 41 2HH2 ARG 41 5.152 -4.097 -4.286 329 H SER 42 H SER 42 -3.255 -3.791 -8.787 330 HA SER 42 HA SER 42 -5.494 -3.741 -9.149 331 HB2 SER 42 2HB SER 42 -5.456 -6.526 -7.958 332 HB3 SER 42 3HB SER 42 -6.791 -5.813 -8.865 333 HG SER 42 HG SER 42 -4.891 -7.210 -9.872 334 H LEU 43 H LEU 43 -4.337 -2.827 -6.623 335 HA LEU 43 HA LEU 43 -6.565 -3.215 -4.750 336 HB2 LEU 43 2HB LEU 43 -3.767 -2.144 -4.399 337 HB3 LEU 43 3HB LEU 43 -4.985 -2.054 -3.144 338 HG LEU 43 HG LEU 43 -4.170 -4.683 -4.354 339 HD11 LEU 43 1HD1 LEU 43 -2.951 -3.284 -1.976 340 HD12 LEU 43 2HD1 LEU 43 -2.149 -3.628 -3.509 341 HD13 LEU 43 3HD1 LEU 43 -2.643 -4.953 -2.454 342 HD21 LEU 43 3HD2 LEU 43 -5.015 -5.533 -2.213 343 HD22 LEU 43 1HD2 LEU 43 -6.252 -4.634 -3.091 344 HD23 LEU 43 2HD2 LEU 43 -5.417 -3.884 -1.729 345 HA PRO 44 HA PRO 44 -8.127 0.877 -5.628 346 HB2 PRO 44 2HB PRO 44 -9.042 0.847 -2.818 347 HB3 PRO 44 3HB PRO 44 -9.984 1.013 -4.305 348 HG2 PRO 44 2HG PRO 44 -10.056 -1.237 -2.860 349 HG3 PRO 44 3HG PRO 44 -10.114 -1.276 -4.632 350 HD2 PRO 44 2HD PRO 44 -7.807 -1.821 -2.798 351 HD3 PRO 44 3HD PRO 44 -8.299 -2.676 -4.277 352 H VAL 45 H VAL 45 -7.372 2.902 -5.373 353 HA VAL 45 HA VAL 45 -5.131 3.237 -3.513 354 HB VAL 45 HB VAL 45 -4.501 5.170 -4.900 355 HG11 VAL 45 1HG1 VAL 45 -4.997 2.634 -6.450 356 HG12 VAL 45 2HG1 VAL 45 -3.587 3.002 -5.456 357 HG13 VAL 45 3HG1 VAL 45 -3.891 3.920 -6.931 358 HG21 VAL 45 3HG2 VAL 45 -5.671 5.569 -7.040 359 HG22 VAL 45 1HG2 VAL 45 -6.690 5.898 -5.639 360 HG23 VAL 45 2HG2 VAL 45 -6.909 4.408 -6.557 361 H SER 46 H SER 46 -8.133 3.563 -2.970 362 HA SER 46 HA SER 46 -8.338 6.388 -2.337 363 HB2 SER 46 2HB SER 46 -10.651 5.668 -1.551 364 HB3 SER 46 3HB SER 46 -10.315 5.443 -3.267 365 HG SER 46 HG SER 46 -10.140 3.456 -1.244 366 H GLY 47 H GLY 47 -7.707 7.188 -0.448 367 HA2 GLY 47 2HA GLY 47 -8.442 6.777 2.020 368 HA3 GLY 47 3HA GLY 47 -7.409 5.369 1.837 369 H THR 48 H THR 48 -6.785 7.039 3.807 370 HA THR 48 HA THR 48 -4.810 8.966 2.989 371 HB THR 48 HB THR 48 -4.293 9.002 5.477 372 HG1 THR 48 HG1 THR 48 -5.530 7.792 6.824 373 HG21 THR 48 3HG2 THR 48 -7.150 9.501 4.626 374 HG22 THR 48 1HG2 THR 48 -5.804 10.626 4.447 375 HG23 THR 48 2HG2 THR 48 -6.372 10.178 6.055 376 H LYS 49 H LYS 49 -2.590 8.702 4.313 377 HA LYS 49 HA LYS 49 -1.142 6.772 2.933 378 HB2 LYS 49 2HB LYS 49 -0.029 8.703 3.833 379 HB3 LYS 49 3HB LYS 49 -0.462 8.248 5.475 380 HG2 LYS 49 2HG LYS 49 0.928 6.224 5.246 381 HG3 LYS 49 3HG LYS 49 1.428 6.782 3.651 382 HD2 LYS 49 2HD LYS 49 2.516 8.689 4.574 383 HD3 LYS 49 3HD LYS 49 1.808 8.390 6.166 384 HE2 LYS 49 2HE LYS 49 3.063 6.283 6.311 385 HE3 LYS 49 3HE LYS 49 3.786 6.613 4.736 386 HZ1 LYS 49 3HZ LYS 49 5.104 7.197 6.826 387 HZ2 LYS 49 1HZ LYS 49 4.057 8.523 6.975 388 HZ3 LYS 49 2HZ LYS 49 5.028 8.360 5.592 389 H THR 50 H THR 50 -2.133 6.719 6.363 390 HA THR 50 HA THR 50 -1.051 4.231 7.005 391 HB THR 50 HB THR 50 -3.605 5.272 8.213 392 HG1 THR 50 HG1 THR 50 -2.026 6.433 9.633 393 HG21 THR 50 3HG2 THR 50 -2.778 3.090 8.990 394 HG22 THR 50 1HG2 THR 50 -2.660 4.308 10.258 395 HG23 THR 50 2HG2 THR 50 -1.218 3.819 9.371 396 H GLU 51 H GLU 51 -4.191 5.098 5.646 397 HA GLU 51 HA GLU 51 -5.386 2.556 5.751 398 HB2 GLU 51 2HB GLU 51 -5.831 4.886 3.881 399 HB3 GLU 51 3HB GLU 51 -6.850 3.454 3.910 400 HG2 GLU 51 2HG GLU 51 -6.404 5.295 6.246 401 HG3 GLU 51 3HG GLU 51 -7.794 5.347 5.162 402 H LEU 52 H LEU 52 -3.382 4.132 3.310 403 HA LEU 52 HA LEU 52 -3.595 2.127 1.333 404 HB2 LEU 52 2HB LEU 52 -1.232 3.946 1.800 405 HB3 LEU 52 3HB LEU 52 -1.686 3.170 0.296 406 HG LEU 52 HG LEU 52 -3.190 5.390 1.682 407 HD11 LEU 52 1HD1 LEU 52 -1.609 5.344 -0.882 408 HD12 LEU 52 2HD1 LEU 52 -1.150 6.144 0.621 409 HD13 LEU 52 3HD1 LEU 52 -2.556 6.706 -0.282 410 HD21 LEU 52 3HD2 LEU 52 -3.803 3.996 -0.922 411 HD22 LEU 52 1HD2 LEU 52 -4.649 5.399 -0.273 412 HD23 LEU 52 2HD2 LEU 52 -4.731 3.853 0.571 413 H ILE 53 H ILE 53 -1.226 2.706 3.902 414 HA ILE 53 HA ILE 53 0.480 0.547 3.361 415 HB ILE 53 HB ILE 53 -0.138 1.801 6.043 416 HG12 ILE 53 2HG1 ILE 53 2.066 2.417 4.058 417 HG13 ILE 53 3HG1 ILE 53 0.645 3.418 4.340 418 HG21 ILE 53 1HG2 ILE 53 2.236 0.158 5.171 419 HG22 ILE 53 2HG2 ILE 53 0.959 -0.369 6.266 420 HG23 ILE 53 3HG2 ILE 53 2.042 0.941 6.738 421 HD11 ILE 53 3HD1 ILE 53 1.369 3.804 6.635 422 HD12 ILE 53 1HD1 ILE 53 2.596 4.310 5.472 423 HD13 ILE 53 2HD1 ILE 53 2.790 2.795 6.357 424 H GLU 54 H GLU 54 -2.311 0.786 5.551 425 HA GLU 54 HA GLU 54 -2.232 -1.837 6.536 426 HB2 GLU 54 2HB GLU 54 -4.442 0.182 6.252 427 HB3 GLU 54 3HB GLU 54 -4.747 -1.419 6.915 428 HG2 GLU 54 2HG GLU 54 -2.597 0.347 8.024 429 HG3 GLU 54 3HG GLU 54 -4.276 0.498 8.540 430 H ARG 55 H ARG 55 -3.823 -0.494 3.673 431 HA ARG 55 HA ARG 55 -5.210 -2.871 2.986 432 HB2 ARG 55 2HB ARG 55 -5.747 -0.572 2.133 433 HB3 ARG 55 3HB ARG 55 -4.320 -0.673 1.108 434 HG2 ARG 55 2HG ARG 55 -5.250 -2.461 -0.148 435 HG3 ARG 55 3HG ARG 55 -6.578 -2.658 0.995 436 HD2 ARG 55 2HD ARG 55 -6.090 -0.280 -0.793 437 HD3 ARG 55 3HD ARG 55 -7.346 -1.500 -0.995 438 HE ARG 55 HE ARG 55 -7.241 0.543 1.119 439 HH11 ARG 55 1HH1 ARG 55 -9.014 -1.962 -0.598 440 HH12 ARG 55 2HH1 ARG 55 -10.547 -1.493 0.075 441 HH21 ARG 55 1HH2 ARG 55 -9.271 1.128 2.010 442 HH22 ARG 55 2HH2 ARG 55 -10.694 0.235 1.538 443 H LEU 56 H LEU 56 -2.046 -1.574 2.120 444 HA LEU 56 HA LEU 56 -1.263 -3.581 0.323 445 HB2 LEU 56 2HB LEU 56 0.301 -1.818 2.195 446 HB3 LEU 56 3HB LEU 56 1.087 -2.972 1.138 447 HG LEU 56 HG LEU 56 -0.681 -0.723 0.182 448 HD11 LEU 56 1HD1 LEU 56 1.327 0.169 1.204 449 HD12 LEU 56 2HD1 LEU 56 1.426 0.319 -0.552 450 HD13 LEU 56 3HD1 LEU 56 2.322 -0.953 0.278 451 HD21 LEU 56 3HD2 LEU 56 -0.615 -2.626 -1.338 452 HD22 LEU 56 1HD2 LEU 56 1.146 -2.621 -1.291 453 HD23 LEU 56 2HD2 LEU 56 0.279 -1.264 -2.008 454 H ARG 57 H ARG 57 -0.880 -3.351 3.847 455 HA ARG 57 HA ARG 57 0.455 -5.807 4.173 456 HB2 ARG 57 2HB ARG 57 -1.044 -3.978 5.997 457 HB3 ARG 57 3HB ARG 57 -0.624 -5.589 6.569 458 HG2 ARG 57 2HG ARG 57 1.448 -4.947 6.990 459 HG3 ARG 57 3HG ARG 57 1.658 -4.403 5.328 460 HD2 ARG 57 2HD ARG 57 2.080 -2.579 6.849 461 HD3 ARG 57 3HD ARG 57 0.616 -2.260 5.923 462 HE ARG 57 HE ARG 57 -0.665 -2.578 7.868 463 HH11 ARG 57 1HH1 ARG 57 2.764 -3.008 8.484 464 HH12 ARG 57 2HH1 ARG 57 2.610 -2.718 10.190 465 HH21 ARG 57 1HH2 ARG 57 -0.863 -2.199 10.083 466 HH22 ARG 57 2HH2 ARG 57 0.552 -2.256 11.111 467 H ALA 58 H ALA 58 -2.988 -5.009 4.137 468 HA ALA 58 HA ALA 58 -3.955 -7.539 4.913 469 HB1 ALA 58 3HB ALA 58 -5.353 -5.527 4.851 470 HB2 ALA 58 1HB ALA 58 -6.069 -6.846 3.923 471 HB3 ALA 58 2HB ALA 58 -5.259 -5.521 3.089 472 H TYR 59 H TYR 59 -2.894 -6.269 1.821 473 HA TYR 59 HA TYR 59 -3.784 -8.555 0.328 474 HB2 TYR 59 2HB TYR 59 -3.573 -6.307 -0.690 475 HB3 TYR 59 3HB TYR 59 -1.833 -6.377 -0.449 476 HD1 TYR 59 HD2 TYR 59 -4.658 -7.907 -2.279 477 HD2 TYR 59 HD1 TYR 59 -0.432 -7.506 -2.005 478 HE1 TYR 59 HE2 TYR 59 -4.420 -8.972 -4.482 479 HE2 TYR 59 HE1 TYR 59 -0.184 -8.569 -4.209 480 HH TYR 59 HH TYR 59 -2.825 -9.089 -6.305 481 H GLN 60 H GLN 60 -0.673 -7.359 1.532 482 HA GLN 60 HA GLN 60 0.889 -9.430 0.430 483 HB2 GLN 60 2HB GLN 60 1.890 -7.337 1.121 484 HB3 GLN 60 3HB GLN 60 1.413 -7.615 2.787 485 HG2 GLN 60 2HG GLN 60 3.794 -8.035 2.398 486 HG3 GLN 60 3HG GLN 60 2.938 -9.467 2.964 487 HE21 GLN 60 1HE2 GLN 60 4.527 -10.825 2.149 488 HE22 GLN 60 2HE2 GLN 60 4.678 -11.141 0.450 489 H ASP 61 H ASP 61 -0.879 -9.190 3.451 490 HA ASP 61 HA ASP 61 0.319 -11.388 4.750 491 HB2 ASP 61 2HB ASP 61 -1.015 -9.794 5.999 492 HB3 ASP 61 3HB ASP 61 -2.451 -10.222 5.073 493 H GLN 62 H GLN 62 -2.484 -11.155 2.608 494 HA GLN 62 HA GLN 62 -3.180 -13.921 2.920 495 HB2 GLN 62 2HB GLN 62 -4.866 -13.520 1.230 496 HB3 GLN 62 3HB GLN 62 -4.870 -12.198 2.389 497 HG2 GLN 62 2HG GLN 62 -3.550 -10.848 0.808 498 HG3 GLN 62 3HG GLN 62 -3.650 -12.164 -0.360 499 HE21 GLN 62 1HE2 GLN 62 -5.371 -9.644 1.283 500 HE22 GLN 62 2HE2 GLN 62 -6.771 -9.652 0.258 501 H ILE 63 H ILE 63 -0.837 -12.275 1.108 502 HA ILE 63 HA ILE 63 -0.614 -13.977 -1.138 503 HB ILE 63 HB ILE 63 1.554 -12.437 0.310 504 HG12 ILE 63 2HG1 ILE 63 -0.171 -10.971 -0.567 505 HG13 ILE 63 3HG1 ILE 63 1.287 -10.809 -1.539 506 HG21 ILE 63 1HG2 ILE 63 2.541 -14.220 -0.998 507 HG22 ILE 63 2HG2 ILE 63 2.860 -12.660 -1.759 508 HG23 ILE 63 3HG2 ILE 63 1.616 -13.724 -2.416 509 HD11 ILE 63 3HD1 ILE 63 -0.695 -10.821 -2.929 510 HD12 ILE 63 1HD1 ILE 63 -1.168 -12.389 -2.273 511 HD13 ILE 63 2HD1 ILE 63 0.294 -12.247 -3.250 512 H SER 64 H SER 64 0.570 -14.151 2.151 513 HA SER 64 HA SER 64 1.891 -16.697 1.699 514 HB2 SER 64 2HB SER 64 2.829 -14.998 3.285 515 HB3 SER 64 3HB SER 64 1.401 -15.203 4.297 516 HG SER 64 HG SER 64 3.191 -16.478 5.004 517 HA PRO 65 HA PRO 65 -1.646 -19.275 2.398 518 HB2 PRO 65 2HB PRO 65 -0.338 -21.182 3.985 519 HB3 PRO 65 3HB PRO 65 -0.495 -21.217 2.229 520 HG2 PRO 65 2HG PRO 65 1.784 -20.296 3.912 521 HG3 PRO 65 3HG PRO 65 1.804 -21.120 2.342 522 HD2 PRO 65 2HD PRO 65 2.317 -18.506 2.541 523 HD3 PRO 65 3HD PRO 65 1.396 -19.158 1.168 524 H VAL 66 H VAL 66 -3.161 -18.562 3.733 525 HA VAL 66 HA VAL 66 -2.570 -18.431 6.616 526 HB VAL 66 HB VAL 66 -4.504 -16.790 6.715 527 HG11 VAL 66 1HG1 VAL 66 -2.059 -16.006 5.130 528 HG12 VAL 66 2HG1 VAL 66 -2.191 -16.054 6.888 529 HG13 VAL 66 3HG1 VAL 66 -3.138 -14.887 5.962 530 HG21 VAL 66 3HG2 VAL 66 -4.075 -16.777 3.731 531 HG22 VAL 66 1HG2 VAL 66 -5.039 -15.601 4.626 532 HG23 VAL 66 2HG2 VAL 66 -5.532 -17.295 4.579 533 HA PRO 67 HA PRO 67 -5.655 -21.508 7.252 534 HB2 PRO 67 2HB PRO 67 -6.402 -20.282 9.800 535 HB3 PRO 67 3HB PRO 67 -5.559 -21.801 9.496 536 HG2 PRO 67 2HG PRO 67 -4.319 -19.654 10.569 537 HG3 PRO 67 3HG PRO 67 -3.484 -20.815 9.518 538 HD2 PRO 67 2HD PRO 67 -4.582 -18.108 8.850 539 HD3 PRO 67 3HD PRO 67 -3.045 -18.852 8.360 540 H GLY 68 H GLY 68 -6.586 -18.151 7.557 541 HA2 GLY 68 2HA GLY 68 -9.429 -18.820 7.514 542 HA3 GLY 68 3HA GLY 68 -8.739 -17.211 7.694 543 H ALA 69 H ALA 69 -7.506 -16.432 5.744 544 HA ALA 69 HA ALA 69 -7.297 -15.918 3.547 545 HB1 ALA 69 3HB ALA 69 -7.983 -17.440 1.794 546 HB2 ALA 69 1HB ALA 69 -8.908 -18.396 2.952 547 HB3 ALA 69 2HB ALA 69 -7.151 -18.318 3.076 548 HA PRO 70 HA PRO 70 -10.829 -13.372 2.889 549 HB2 PRO 70 2HB PRO 70 -10.009 -13.249 0.051 550 HB3 PRO 70 3HB PRO 70 -10.165 -11.948 1.235 551 HG2 PRO 70 2HG PRO 70 -7.767 -12.792 0.427 552 HG3 PRO 70 3HG PRO 70 -8.053 -12.310 2.110 553 HD2 PRO 70 2HD PRO 70 -7.884 -15.059 0.927 554 HD3 PRO 70 3HD PRO 70 -7.207 -14.445 2.452 555 H LYS 71 H LYS 71 -12.560 -13.017 1.063 556 HA LYS 71 HA LYS 71 -14.475 -13.822 0.152 557 HB2 LYS 71 2HB LYS 71 -12.496 -15.848 -0.855 558 HB3 LYS 71 3HB LYS 71 -14.211 -16.036 -1.191 559 HG2 LYS 71 2HG LYS 71 -13.341 -14.961 -3.073 560 HG3 LYS 71 3HG LYS 71 -14.119 -13.680 -2.148 561 HD2 LYS 71 2HD LYS 71 -12.024 -12.842 -2.916 562 HD3 LYS 71 3HD LYS 71 -11.873 -13.134 -1.184 563 HE2 LYS 71 2HE LYS 71 -9.890 -13.906 -2.344 564 HE3 LYS 71 3HE LYS 71 -10.760 -15.270 -1.650 565 HZ1 LYS 71 3HZ LYS 71 -11.652 -15.804 -3.799 566 HZ2 LYS 71 1HZ LYS 71 -9.967 -15.682 -3.926 567 HZ3 LYS 71 2HZ LYS 71 -10.951 -14.426 -4.495 568 H ALA 72 H ALA 72 -13.956 -14.393 2.849 569 HA ALA 72 HA ALA 72 -15.084 -17.048 3.298 570 HB1 ALA 72 3HB ALA 72 -14.652 -16.599 5.667 571 HB2 ALA 72 1HB ALA 72 -14.134 -14.960 5.267 572 HB3 ALA 72 2HB ALA 72 -13.198 -16.345 4.701 573 HA PRO 73 HA PRO 73 -19.279 -15.758 3.892 574 HB2 PRO 73 2HB PRO 73 -19.816 -16.869 6.390 575 HB3 PRO 73 3HB PRO 73 -19.959 -17.707 4.842 576 HG2 PRO 73 2HG PRO 73 -17.736 -17.760 6.831 577 HG3 PRO 73 3HG PRO 73 -18.390 -19.076 5.836 578 HD2 PRO 73 2HD PRO 73 -16.078 -17.876 5.214 579 HD3 PRO 73 3HD PRO 73 -17.214 -18.397 3.950 580 H ALA 74 H ALA 74 -20.532 -14.221 4.946 581 HA ALA 74 HA ALA 74 -18.969 -12.311 6.478 582 HB1 ALA 74 3HB ALA 74 -21.755 -12.089 5.355 583 HB2 ALA 74 1HB ALA 74 -20.277 -11.523 4.579 584 HB3 ALA 74 2HB ALA 74 -20.826 -10.779 6.081 585 H ALA 75 H ALA 75 -20.496 -14.929 7.420 586 HA ALA 75 HA ALA 75 -21.326 -13.757 9.964 587 HB1 ALA 75 3HB ALA 75 -23.371 -14.035 8.638 588 HB2 ALA 75 1HB ALA 75 -23.351 -15.097 10.046 589 HB3 ALA 75 2HB ALA 75 -23.007 -15.750 8.445 Start of MODEL 8 1 H1 MET 1 1H MET 1 43.767 4.645 -35.493 2 H2 MET 1 2H MET 1 43.050 3.283 -36.206 3 H3 MET 1 3H MET 1 42.207 4.171 -35.035 4 HA MET 1 HA MET 1 42.107 6.073 -36.480 5 HB2 MET 1 2HB MET 1 43.567 4.235 -38.384 6 HB3 MET 1 3HB MET 1 42.714 5.676 -38.909 7 HG2 MET 1 2HG MET 1 44.174 6.995 -37.374 8 HG3 MET 1 3HG MET 1 45.103 5.524 -37.098 9 HE1 MET 1 3HE MET 1 43.401 6.601 -40.490 10 HE2 MET 1 1HE MET 1 44.693 7.544 -41.228 11 HE3 MET 1 2HE MET 1 43.899 8.128 -39.765 12 H GLY 2 H GLY 2 40.206 6.351 -37.556 13 HA2 GLY 2 2HA GLY 2 38.403 5.676 -38.919 14 HA3 GLY 2 3HA GLY 2 38.886 4.004 -38.694 15 H HIS 3 H HIS 3 36.307 4.475 -38.515 16 HA HIS 3 HA HIS 3 35.715 3.744 -35.799 17 HB2 HIS 3 2HB HIS 3 34.028 5.456 -35.378 18 HB3 HIS 3 3HB HIS 3 35.589 6.218 -35.647 19 HD1 HIS 3 HD1 HIS 3 32.152 6.541 -36.545 20 HD2 HIS 3 HD2 HIS 3 35.768 7.149 -38.521 21 HE1 HIS 3 HE1 HIS 3 31.621 8.050 -38.491 22 HE2 HIS 3 HE2 HIS 3 33.802 8.311 -39.747 23 H HIS 4 H HIS 4 34.100 2.279 -35.791 24 HA HIS 4 HA HIS 4 32.367 2.112 -38.159 25 HB2 HIS 4 2HB HIS 4 34.106 -0.094 -37.055 26 HB3 HIS 4 3HB HIS 4 32.719 -0.412 -38.088 27 HD1 HIS 4 HD1 HIS 4 33.171 -0.437 -40.526 28 HD2 HIS 4 HD2 HIS 4 36.133 1.571 -38.408 29 HE1 HIS 4 HE1 HIS 4 34.930 0.168 -42.224 30 HE2 HIS 4 HE2 HIS 4 36.623 1.531 -40.945 31 H HIS 5 H HIS 5 30.547 2.685 -37.061 32 HA HIS 5 HA HIS 5 29.575 0.681 -35.145 33 HB2 HIS 5 2HB HIS 5 29.628 3.654 -34.767 34 HB3 HIS 5 3HB HIS 5 28.357 2.691 -34.023 35 HD1 HIS 5 HD1 HIS 5 28.957 1.316 -31.976 36 HD2 HIS 5 HD2 HIS 5 32.245 3.154 -33.751 37 HE1 HIS 5 HE1 HIS 5 30.860 1.033 -30.351 38 HE2 HIS 5 HE2 HIS 5 32.793 2.275 -31.376 39 H HIS 6 H HIS 6 28.021 -0.285 -36.221 40 HA HIS 6 HA HIS 6 26.031 1.385 -37.612 41 HB2 HIS 6 2HB HIS 6 26.657 -1.563 -37.909 42 HB3 HIS 6 3HB HIS 6 25.325 -0.743 -38.718 43 HD1 HIS 6 HD1 HIS 6 25.916 0.850 -40.668 44 HD2 HIS 6 HD2 HIS 6 29.196 -1.087 -38.995 45 HE1 HIS 6 HE1 HIS 6 27.805 1.179 -42.295 46 HE2 HIS 6 HE2 HIS 6 29.710 -0.183 -41.364 47 H HIS 7 H HIS 7 24.462 1.886 -36.251 48 HA HIS 7 HA HIS 7 23.708 0.278 -34.019 49 HB2 HIS 7 2HB HIS 7 23.515 2.796 -34.195 50 HB3 HIS 7 3HB HIS 7 22.153 2.550 -35.275 51 HD1 HIS 7 HD1 HIS 7 23.123 2.539 -31.699 52 HD2 HIS 7 HD2 HIS 7 19.785 1.616 -34.005 53 HE1 HIS 7 HE1 HIS 7 21.203 2.386 -30.084 54 HE2 HIS 7 HE2 HIS 7 19.233 1.657 -31.472 55 H HIS 8 H HIS 8 23.187 -1.762 -34.945 56 HA HIS 8 HA HIS 8 20.849 -1.825 -36.700 57 HB2 HIS 8 2HB HIS 8 21.503 -3.904 -37.417 58 HB3 HIS 8 3HB HIS 8 23.069 -3.279 -36.932 59 HD1 HIS 8 HD1 HIS 8 24.047 -4.228 -34.642 60 HD2 HIS 8 HD2 HIS 8 20.642 -6.136 -36.079 61 HE1 HIS 8 HE1 HIS 8 23.928 -6.418 -33.415 62 HE2 HIS 8 HE2 HIS 8 21.736 -7.437 -34.130 63 H SER 9 H SER 9 21.909 -2.743 -33.486 64 HA SER 9 HA SER 9 19.386 -3.855 -32.714 65 HB2 SER 9 2HB SER 9 21.555 -2.750 -30.914 66 HB3 SER 9 3HB SER 9 20.319 -3.940 -30.498 67 HG SER 9 HG SER 9 21.520 -5.459 -31.324 68 H HIS 10 H HIS 10 17.638 -2.608 -32.671 69 HA HIS 10 HA HIS 10 17.726 0.169 -32.939 70 HB2 HIS 10 2HB HIS 10 15.849 -1.302 -33.665 71 HB3 HIS 10 3HB HIS 10 15.384 -1.479 -31.977 72 HD1 HIS 10 HD1 HIS 10 13.157 -0.311 -32.096 73 HD2 HIS 10 HD2 HIS 10 16.277 1.994 -33.600 74 HE1 HIS 10 HE1 HIS 10 12.192 1.984 -32.467 75 HE2 HIS 10 HE2 HIS 10 14.046 3.298 -33.564 76 H MET 11 H MET 11 16.865 -1.784 -30.075 77 HA MET 11 HA MET 11 17.855 0.105 -28.227 78 HB2 MET 11 2HB MET 11 15.976 1.485 -28.938 79 HB3 MET 11 3HB MET 11 14.861 0.154 -28.674 80 HG2 MET 11 2HG MET 11 15.444 0.217 -26.263 81 HG3 MET 11 3HG MET 11 16.415 1.653 -26.581 82 HE1 MET 11 3HE MET 11 13.693 4.211 -27.782 83 HE2 MET 11 1HE MET 11 14.636 3.123 -28.801 84 HE3 MET 11 2HE MET 11 15.406 3.956 -27.452 85 H SER 12 H SER 12 18.573 -1.439 -26.860 86 HA SER 12 HA SER 12 17.025 -3.776 -26.266 87 HB2 SER 12 2HB SER 12 18.889 -4.083 -24.505 88 HB3 SER 12 3HB SER 12 19.344 -4.139 -26.206 89 HG SER 12 HG SER 12 20.768 -2.817 -25.026 90 H THR 13 H THR 13 15.211 -3.547 -25.144 91 HA THR 13 HA THR 13 15.070 -1.471 -23.078 92 HB THR 13 HB THR 13 12.788 -3.066 -24.238 93 HG1 THR 13 HG1 THR 13 14.256 -1.560 -25.646 94 HG21 THR 13 3HG2 THR 13 12.876 -0.392 -22.833 95 HG22 THR 13 1HG2 THR 13 12.287 -1.905 -22.141 96 HG23 THR 13 2HG2 THR 13 11.433 -1.164 -23.492 97 HA PRO 14 HA PRO 14 15.146 -4.767 -20.081 98 HB2 PRO 14 2HB PRO 14 15.289 -3.211 -17.893 99 HB3 PRO 14 3HB PRO 14 16.660 -3.420 -18.986 100 HG2 PRO 14 2HG PRO 14 14.793 -1.125 -18.706 101 HG3 PRO 14 3HG PRO 14 16.515 -1.127 -19.112 102 HD2 PRO 14 2HD PRO 14 14.396 -0.879 -20.921 103 HD3 PRO 14 3HD PRO 14 16.075 -1.264 -21.334 104 H LEU 15 H LEU 15 13.815 -5.596 -18.402 105 HA LEU 15 HA LEU 15 11.226 -4.257 -18.031 106 HB2 LEU 15 2HB LEU 15 11.181 -6.137 -19.775 107 HB3 LEU 15 3HB LEU 15 11.479 -7.237 -18.447 108 HG LEU 15 HG LEU 15 9.086 -7.066 -19.188 109 HD11 LEU 15 1HD1 LEU 15 9.638 -7.940 -16.986 110 HD12 LEU 15 2HD1 LEU 15 8.140 -7.011 -16.940 111 HD13 LEU 15 3HD1 LEU 15 9.634 -6.305 -16.324 112 HD21 LEU 15 3HD2 LEU 15 9.294 -4.322 -17.966 113 HD22 LEU 15 1HD2 LEU 15 7.795 -5.122 -18.433 114 HD23 LEU 15 2HD2 LEU 15 8.987 -4.699 -19.659 115 H THR 16 H THR 16 10.883 -3.950 -15.941 116 HA THR 16 HA THR 16 11.264 -6.018 -14.007 117 HB THR 16 HB THR 16 13.592 -5.243 -14.161 118 HG1 THR 16 HG1 THR 16 13.774 -4.573 -11.872 119 HG21 THR 16 3HG2 THR 16 12.504 -2.547 -13.334 120 HG22 THR 16 1HG2 THR 16 13.186 -2.945 -14.911 121 HG23 THR 16 2HG2 THR 16 14.211 -2.970 -13.474 122 H GLY 17 H GLY 17 10.220 -5.555 -12.039 123 HA2 GLY 17 2HA GLY 17 9.447 -3.416 -10.746 124 HA3 GLY 17 3HA GLY 17 8.429 -3.230 -12.167 125 H LYS 18 H LYS 18 7.336 -3.431 -9.671 126 HA LYS 18 HA LYS 18 5.632 -4.442 -8.577 127 HB2 LYS 18 2HB LYS 18 5.656 -6.357 -10.911 128 HB3 LYS 18 3HB LYS 18 4.462 -6.389 -9.622 129 HG2 LYS 18 2HG LYS 18 3.760 -4.117 -10.238 130 HG3 LYS 18 3HG LYS 18 4.938 -4.126 -11.553 131 HD2 LYS 18 2HD LYS 18 3.813 -6.036 -12.564 132 HD3 LYS 18 3HD LYS 18 2.650 -6.065 -11.238 133 HE2 LYS 18 2HE LYS 18 1.893 -3.819 -11.866 134 HE3 LYS 18 3HE LYS 18 3.041 -3.810 -13.202 135 HZ1 LYS 18 3HZ LYS 18 0.802 -4.401 -13.933 136 HZ2 LYS 18 1HZ LYS 18 0.802 -5.738 -12.885 137 HZ3 LYS 18 2HZ LYS 18 1.886 -5.679 -14.186 138 HA PRO 19 HA PRO 19 8.351 -7.405 -6.481 139 HB2 PRO 19 2HB PRO 19 7.197 -6.338 -4.044 140 HB3 PRO 19 3HB PRO 19 8.862 -6.232 -4.613 141 HG2 PRO 19 2HG PRO 19 7.199 -4.082 -4.449 142 HG3 PRO 19 3HG PRO 19 8.532 -4.201 -5.611 143 HD2 PRO 19 2HD PRO 19 5.605 -4.675 -6.033 144 HD3 PRO 19 3HD PRO 19 6.775 -3.847 -7.084 145 H GLY 20 H GLY 20 7.867 -9.288 -5.288 146 HA2 GLY 20 2HA GLY 20 5.163 -10.238 -5.535 147 HA3 GLY 20 3HA GLY 20 6.521 -11.121 -4.842 148 H ALA 21 H ALA 21 7.293 -9.292 -2.900 149 HA ALA 21 HA ALA 21 4.999 -9.401 -1.057 150 HB1 ALA 21 3HB ALA 21 7.960 -9.313 -0.458 151 HB2 ALA 21 1HB ALA 21 6.922 -10.735 -0.355 152 HB3 ALA 21 2HB ALA 21 6.671 -9.380 0.745 153 H LEU 22 H LEU 22 6.101 -7.636 0.864 154 HA LEU 22 HA LEU 22 6.200 -5.080 -0.599 155 HB2 LEU 22 2HB LEU 22 4.979 -5.631 2.110 156 HB3 LEU 22 3HB LEU 22 5.108 -4.052 1.361 157 HG LEU 22 HG LEU 22 3.483 -6.348 0.275 158 HD11 LEU 22 1HD1 LEU 22 2.613 -3.846 1.712 159 HD12 LEU 22 2HD1 LEU 22 2.618 -5.473 2.391 160 HD13 LEU 22 3HD1 LEU 22 1.558 -5.088 1.038 161 HD21 LEU 22 3HD2 LEU 22 4.265 -4.851 -1.470 162 HD22 LEU 22 1HD2 LEU 22 3.684 -3.455 -0.560 163 HD23 LEU 22 2HD2 LEU 22 2.535 -4.630 -1.201 164 HA PRO 23 HA PRO 23 9.945 -4.372 1.734 165 HB2 PRO 23 2HB PRO 23 10.062 -1.673 1.600 166 HB3 PRO 23 3HB PRO 23 10.415 -2.704 0.208 167 HG2 PRO 23 2HG PRO 23 7.924 -1.188 0.862 168 HG3 PRO 23 3HG PRO 23 8.731 -1.399 -0.703 169 HD2 PRO 23 2HD PRO 23 6.533 -2.831 0.082 170 HD3 PRO 23 3HD PRO 23 7.741 -3.433 -1.071 171 H ALA 24 H ALA 24 10.622 -3.540 3.776 172 HA ALA 24 HA ALA 24 8.551 -3.335 5.742 173 HB1 ALA 24 3HB ALA 24 10.376 -3.093 7.337 174 HB2 ALA 24 1HB ALA 24 11.516 -2.826 6.017 175 HB3 ALA 24 2HB ALA 24 10.730 -4.394 6.201 176 H ASN 25 H ASN 25 10.031 -1.163 3.664 177 HA ASN 25 HA ASN 25 9.817 1.129 5.446 178 HB2 ASN 25 2HB ASN 25 10.974 0.765 2.686 179 HB3 ASN 25 3HB ASN 25 10.825 2.341 3.452 180 HD21 ASN 25 1HD2 ASN 25 13.027 2.658 3.476 181 HD22 ASN 25 2HD2 ASN 25 14.077 1.824 4.566 182 H LEU 26 H LEU 26 7.330 -0.014 4.779 183 HA LEU 26 HA LEU 26 6.073 1.247 2.588 184 HB2 LEU 26 2HB LEU 26 4.938 0.166 5.165 185 HB3 LEU 26 3HB LEU 26 3.942 0.794 3.866 186 HG LEU 26 HG LEU 26 5.765 -1.605 3.718 187 HD11 LEU 26 1HD1 LEU 26 2.764 -1.355 3.624 188 HD12 LEU 26 2HD1 LEU 26 3.715 -2.009 4.959 189 HD13 LEU 26 3HD1 LEU 26 3.685 -2.845 3.408 190 HD21 LEU 26 3HD2 LEU 26 4.003 -0.370 1.606 191 HD22 LEU 26 1HD2 LEU 26 4.842 -1.915 1.464 192 HD23 LEU 26 2HD2 LEU 26 5.765 -0.418 1.600 193 H ASP 27 H ASP 27 6.593 2.266 5.914 194 HA ASP 27 HA ASP 27 5.032 4.674 5.592 195 HB2 ASP 27 2HB ASP 27 5.137 3.704 7.806 196 HB3 ASP 27 3HB ASP 27 6.897 3.778 7.796 197 H ASP 28 H ASP 28 8.242 3.657 5.027 198 HA ASP 28 HA ASP 28 9.443 6.266 5.033 199 HB2 ASP 28 2HB ASP 28 10.793 4.249 5.443 200 HB3 ASP 28 3HB ASP 28 10.403 3.654 3.835 201 H MET 29 H MET 29 7.727 4.258 2.815 202 HA MET 29 HA MET 29 8.308 5.828 0.478 203 HB2 MET 29 2HB MET 29 6.165 3.766 1.042 204 HB3 MET 29 3HB MET 29 6.431 4.514 -0.528 205 HG2 MET 29 2HG MET 29 8.599 3.517 -0.702 206 HG3 MET 29 3HG MET 29 8.501 2.911 0.950 207 HE1 MET 29 3HE MET 29 5.593 2.948 -1.693 208 HE2 MET 29 1HE MET 29 5.782 1.370 -2.453 209 HE3 MET 29 2HE MET 29 7.007 2.617 -2.694 210 H LYS 30 H LYS 30 6.752 7.169 -0.614 211 HA LYS 30 HA LYS 30 5.218 8.769 1.257 212 HB2 LYS 30 2HB LYS 30 5.490 9.176 -1.715 213 HB3 LYS 30 3HB LYS 30 5.013 10.361 -0.509 214 HG2 LYS 30 2HG LYS 30 7.231 10.356 0.429 215 HG3 LYS 30 3HG LYS 30 7.730 9.093 -0.699 216 HD2 LYS 30 2HD LYS 30 7.079 10.681 -2.554 217 HD3 LYS 30 3HD LYS 30 6.954 11.928 -1.310 218 HE2 LYS 30 2HE LYS 30 9.132 12.011 -2.355 219 HE3 LYS 30 3HE LYS 30 9.275 11.513 -0.673 220 HZ1 LYS 30 3HZ LYS 30 9.671 9.299 -1.293 221 HZ2 LYS 30 1HZ LYS 30 10.634 10.228 -2.337 222 HZ3 LYS 30 2HZ LYS 30 9.178 9.562 -2.893 223 H VAL 31 H VAL 31 3.096 9.678 0.230 224 HA VAL 31 HA VAL 31 1.216 7.576 0.185 225 HB VAL 31 HB VAL 31 0.871 10.436 -0.743 226 HG11 VAL 31 1HG1 VAL 31 -0.920 9.011 -1.578 227 HG12 VAL 31 2HG1 VAL 31 -1.518 10.090 -0.316 228 HG13 VAL 31 3HG1 VAL 31 -1.203 8.394 0.050 229 HG21 VAL 31 3HG2 VAL 31 -0.037 10.838 1.500 230 HG22 VAL 31 1HG2 VAL 31 1.644 10.308 1.562 231 HG23 VAL 31 2HG2 VAL 31 0.347 9.176 1.948 232 H ALA 32 H ALA 32 2.836 9.371 -2.354 233 HA ALA 32 HA ALA 32 1.198 8.569 -4.505 234 HB1 ALA 32 3HB ALA 32 4.086 9.422 -4.544 235 HB2 ALA 32 1HB ALA 32 2.684 10.488 -4.641 236 HB3 ALA 32 2HB ALA 32 3.012 9.340 -5.939 237 H GLU 33 H GLU 33 4.478 7.381 -3.639 238 HA GLU 33 HA GLU 33 4.429 5.269 -5.488 239 HB2 GLU 33 2HB GLU 33 6.183 4.272 -3.752 240 HB3 GLU 33 3HB GLU 33 6.575 5.590 -4.844 241 HG2 GLU 33 2HG GLU 33 5.484 6.281 -2.175 242 HG3 GLU 33 3HG GLU 33 7.138 5.675 -2.266 243 H LEU 34 H LEU 34 3.155 5.422 -2.215 244 HA LEU 34 HA LEU 34 2.723 2.645 -1.899 245 HB2 LEU 34 2HB LEU 34 1.272 5.024 -0.750 246 HB3 LEU 34 3HB LEU 34 0.878 3.369 -0.322 247 HG LEU 34 HG LEU 34 3.531 4.735 0.159 248 HD11 LEU 34 1HD1 LEU 34 2.928 4.579 2.514 249 HD12 LEU 34 2HD1 LEU 34 1.377 3.863 2.081 250 HD13 LEU 34 3HD1 LEU 34 1.737 5.529 1.624 251 HD21 LEU 34 3HD2 LEU 34 3.794 2.348 -0.307 252 HD22 LEU 34 1HD2 LEU 34 2.594 1.975 0.931 253 HD23 LEU 34 2HD2 LEU 34 4.127 2.717 1.386 254 H LYS 35 H LYS 35 0.763 5.213 -3.341 255 HA LYS 35 HA LYS 35 -1.426 3.518 -3.992 256 HB2 LYS 35 2HB LYS 35 -0.568 6.200 -5.076 257 HB3 LYS 35 3HB LYS 35 -2.041 5.382 -5.579 258 HG2 LYS 35 2HG LYS 35 -2.826 5.409 -3.250 259 HG3 LYS 35 3HG LYS 35 -1.370 6.292 -2.788 260 HD2 LYS 35 2HD LYS 35 -2.007 8.136 -4.239 261 HD3 LYS 35 3HD LYS 35 -3.426 7.243 -4.785 262 HE2 LYS 35 2HE LYS 35 -4.269 7.227 -2.467 263 HE3 LYS 35 3HE LYS 35 -2.875 8.190 -1.978 264 HZ1 LYS 35 3HZ LYS 35 -3.610 9.973 -3.390 265 HZ2 LYS 35 1HZ LYS 35 -4.879 9.525 -2.359 266 HZ3 LYS 35 2HZ LYS 35 -4.895 9.035 -3.983 267 H GLN 36 H GLN 36 1.596 4.297 -5.554 268 HA GLN 36 HA GLN 36 1.034 3.368 -8.138 269 HB2 GLN 36 2HB GLN 36 3.618 3.387 -6.574 270 HB3 GLN 36 3HB GLN 36 3.520 2.932 -8.270 271 HG2 GLN 36 2HG GLN 36 2.680 5.595 -7.146 272 HG3 GLN 36 3HG GLN 36 4.225 5.268 -7.928 273 HE21 GLN 36 1HE2 GLN 36 3.151 3.519 -9.936 274 HE22 GLN 36 2HE2 GLN 36 2.259 4.506 -11.047 275 H GLU 37 H GLU 37 2.266 1.634 -5.291 276 HA GLU 37 HA GLU 37 2.369 -0.922 -6.439 277 HB2 GLU 37 2HB GLU 37 2.009 0.073 -3.628 278 HB3 GLU 37 3HB GLU 37 1.853 -1.643 -3.978 279 HG2 GLU 37 2HG GLU 37 4.271 0.044 -4.581 280 HG3 GLU 37 3HG GLU 37 4.094 -1.043 -3.204 281 H LEU 38 H LEU 38 -0.244 0.725 -4.714 282 HA LEU 38 HA LEU 38 -2.095 -1.348 -4.705 283 HB2 LEU 38 2HB LEU 38 -2.573 1.626 -4.823 284 HB3 LEU 38 3HB LEU 38 -3.798 0.434 -4.436 285 HG LEU 38 HG LEU 38 -1.292 0.830 -2.800 286 HD11 LEU 38 1HD1 LEU 38 -4.059 1.937 -2.362 287 HD12 LEU 38 2HD1 LEU 38 -2.619 2.866 -2.778 288 HD13 LEU 38 3HD1 LEU 38 -2.716 2.037 -1.225 289 HD21 LEU 38 3HD2 LEU 38 -3.886 -0.623 -2.262 290 HD22 LEU 38 1HD2 LEU 38 -2.590 -0.385 -1.090 291 HD23 LEU 38 2HD2 LEU 38 -2.305 -1.358 -2.531 292 H LYS 39 H LYS 39 -1.733 1.286 -7.093 293 HA LYS 39 HA LYS 39 -3.987 0.419 -8.608 294 HB2 LYS 39 2HB LYS 39 -3.383 2.134 -10.195 295 HB3 LYS 39 3HB LYS 39 -3.221 2.758 -8.564 296 HG2 LYS 39 2HG LYS 39 -0.749 2.224 -8.764 297 HG3 LYS 39 3HG LYS 39 -1.054 2.001 -10.487 298 HD2 LYS 39 2HD LYS 39 -1.517 4.500 -8.865 299 HD3 LYS 39 3HD LYS 39 -0.297 4.258 -10.117 300 HE2 LYS 39 2HE LYS 39 -2.037 4.034 -11.798 301 HE3 LYS 39 3HE LYS 39 -3.281 4.186 -10.559 302 HZ1 LYS 39 3HZ LYS 39 -2.436 6.427 -10.084 303 HZ2 LYS 39 1HZ LYS 39 -2.992 6.272 -11.682 304 HZ3 LYS 39 2HZ LYS 39 -1.325 6.276 -11.355 305 H LEU 40 H LEU 40 -0.692 -0.544 -8.574 306 HA LEU 40 HA LEU 40 -0.825 -1.740 -11.213 307 HB2 LEU 40 2HB LEU 40 1.274 -1.801 -9.050 308 HB3 LEU 40 3HB LEU 40 1.421 -2.696 -10.552 309 HG LEU 40 HG LEU 40 1.249 0.306 -10.292 310 HD11 LEU 40 1HD1 LEU 40 3.518 -1.537 -11.032 311 HD12 LEU 40 2HD1 LEU 40 3.393 -0.547 -9.579 312 HD13 LEU 40 3HD1 LEU 40 3.558 0.220 -11.157 313 HD21 LEU 40 3HD2 LEU 40 1.644 0.358 -12.687 314 HD22 LEU 40 1HD2 LEU 40 0.158 -0.522 -12.332 315 HD23 LEU 40 2HD2 LEU 40 1.628 -1.405 -12.749 316 H ARG 41 H ARG 41 -1.268 -2.677 -7.888 317 HA ARG 41 HA ARG 41 -1.230 -5.518 -8.639 318 HB2 ARG 41 2HB ARG 41 -1.100 -4.268 -5.887 319 HB3 ARG 41 3HB ARG 41 -0.885 -5.974 -6.267 320 HG2 ARG 41 2HG ARG 41 1.136 -5.499 -7.491 321 HG3 ARG 41 3HG ARG 41 0.891 -3.765 -7.285 322 HD2 ARG 41 2HD ARG 41 2.509 -4.380 -5.689 323 HD3 ARG 41 3HD ARG 41 1.005 -4.186 -4.790 324 HE ARG 41 HE ARG 41 0.937 -6.783 -5.249 325 HH11 ARG 41 1HH1 ARG 41 3.648 -4.774 -4.254 326 HH12 ARG 41 2HH1 ARG 41 4.443 -6.076 -3.411 327 HH21 ARG 41 1HH2 ARG 41 1.987 -8.476 -4.147 328 HH22 ARG 41 2HH2 ARG 41 3.502 -8.181 -3.360 329 H SER 42 H SER 42 -3.472 -3.544 -8.997 330 HA SER 42 HA SER 42 -5.735 -3.684 -9.102 331 HB2 SER 42 2HB SER 42 -5.095 -6.118 -9.616 332 HB3 SER 42 3HB SER 42 -5.539 -6.466 -7.948 333 HG SER 42 HG SER 42 -7.473 -6.667 -8.751 334 H LEU 43 H LEU 43 -4.591 -2.515 -6.838 335 HA LEU 43 HA LEU 43 -6.498 -3.239 -4.709 336 HB2 LEU 43 2HB LEU 43 -3.738 -2.040 -4.575 337 HB3 LEU 43 3HB LEU 43 -4.825 -2.098 -3.202 338 HG LEU 43 HG LEU 43 -4.018 -4.605 -4.654 339 HD11 LEU 43 1HD1 LEU 43 -2.266 -4.898 -2.964 340 HD12 LEU 43 2HD1 LEU 43 -2.591 -3.277 -2.350 341 HD13 LEU 43 3HD1 LEU 43 -1.960 -3.492 -3.982 342 HD21 LEU 43 3HD2 LEU 43 -4.545 -5.597 -2.455 343 HD22 LEU 43 1HD2 LEU 43 -5.928 -4.767 -3.172 344 HD23 LEU 43 2HD2 LEU 43 -5.013 -3.998 -1.874 345 HA PRO 44 HA PRO 44 -8.309 0.824 -5.114 346 HB2 PRO 44 2HB PRO 44 -8.664 0.706 -2.178 347 HB3 PRO 44 3HB PRO 44 -9.877 0.894 -3.448 348 HG2 PRO 44 2HG PRO 44 -9.631 -1.399 -2.095 349 HG3 PRO 44 3HG PRO 44 -10.029 -1.386 -3.824 350 HD2 PRO 44 2HD PRO 44 -7.416 -1.955 -2.481 351 HD3 PRO 44 3HD PRO 44 -8.159 -2.749 -3.885 352 H VAL 45 H VAL 45 -7.114 2.600 -5.358 353 HA VAL 45 HA VAL 45 -4.821 3.098 -3.658 354 HB VAL 45 HB VAL 45 -4.345 4.986 -5.133 355 HG11 VAL 45 1HG1 VAL 45 -3.582 2.778 -5.794 356 HG12 VAL 45 2HG1 VAL 45 -4.005 3.740 -7.209 357 HG13 VAL 45 3HG1 VAL 45 -5.104 2.486 -6.634 358 HG21 VAL 45 3HG2 VAL 45 -6.931 4.274 -6.512 359 HG22 VAL 45 1HG2 VAL 45 -5.759 5.468 -7.070 360 HG23 VAL 45 2HG2 VAL 45 -6.632 5.726 -5.559 361 H SER 46 H SER 46 -8.080 3.954 -3.613 362 HA SER 46 HA SER 46 -7.847 6.599 -2.601 363 HB2 SER 46 2HB SER 46 -10.289 6.176 -1.950 364 HB3 SER 46 3HB SER 46 -9.891 6.057 -3.663 365 HG SER 46 HG SER 46 -10.467 4.019 -1.812 366 H GLY 47 H GLY 47 -7.533 7.295 -0.586 367 HA2 GLY 47 2HA GLY 47 -8.279 6.605 1.816 368 HA3 GLY 47 3HA GLY 47 -7.184 5.265 1.503 369 H THR 48 H THR 48 -6.712 6.878 3.631 370 HA THR 48 HA THR 48 -4.764 8.898 2.905 371 HB THR 48 HB THR 48 -4.538 9.038 5.458 372 HG1 THR 48 HG1 THR 48 -6.947 8.032 6.009 373 HG21 THR 48 3HG2 THR 48 -7.233 9.563 4.196 374 HG22 THR 48 1HG2 THR 48 -5.837 10.640 4.135 375 HG23 THR 48 2HG2 THR 48 -6.625 10.304 5.678 376 H LYS 49 H LYS 49 -2.768 8.793 4.595 377 HA LYS 49 HA LYS 49 -1.003 6.881 3.634 378 HB2 LYS 49 2HB LYS 49 -0.279 8.945 4.718 379 HB3 LYS 49 3HB LYS 49 -0.923 8.390 6.254 380 HG2 LYS 49 2HG LYS 49 1.425 8.113 6.321 381 HG3 LYS 49 3HG LYS 49 0.713 6.508 6.174 382 HD2 LYS 49 2HD LYS 49 1.203 6.500 3.783 383 HD3 LYS 49 3HD LYS 49 1.881 8.125 3.907 384 HE2 LYS 49 2HE LYS 49 2.920 5.707 5.383 385 HE3 LYS 49 3HE LYS 49 3.595 6.325 3.878 386 HZ1 LYS 49 3HZ LYS 49 3.333 8.126 6.191 387 HZ2 LYS 49 1HZ LYS 49 4.443 8.176 4.911 388 HZ3 LYS 49 2HZ LYS 49 4.616 7.021 6.146 389 H THR 50 H THR 50 -2.805 6.875 6.694 390 HA THR 50 HA THR 50 -1.810 4.461 7.707 391 HB THR 50 HB THR 50 -4.567 5.617 8.166 392 HG1 THR 50 HG1 THR 50 -2.221 6.096 9.720 393 HG21 THR 50 3HG2 THR 50 -2.838 3.868 9.923 394 HG22 THR 50 1HG2 THR 50 -4.262 3.332 9.028 395 HG23 THR 50 2HG2 THR 50 -4.432 4.504 10.335 396 H GLU 51 H GLU 51 -4.651 5.139 5.693 397 HA GLU 51 HA GLU 51 -5.740 2.563 5.616 398 HB2 GLU 51 2HB GLU 51 -5.795 4.746 3.528 399 HB3 GLU 51 3HB GLU 51 -6.816 3.316 3.502 400 HG2 GLU 51 2HG GLU 51 -6.798 5.290 5.760 401 HG3 GLU 51 3HG GLU 51 -7.881 5.407 4.375 402 H LEU 52 H LEU 52 -3.431 4.153 3.440 403 HA LEU 52 HA LEU 52 -3.206 2.114 1.542 404 HB2 LEU 52 2HB LEU 52 -1.001 3.993 2.390 405 HB3 LEU 52 3HB LEU 52 -1.152 3.175 0.847 406 HG LEU 52 HG LEU 52 -2.939 5.373 1.888 407 HD11 LEU 52 1HD1 LEU 52 -0.756 6.154 1.177 408 HD12 LEU 52 2HD1 LEU 52 -2.006 6.667 0.044 409 HD13 LEU 52 3HD1 LEU 52 -0.945 5.320 -0.366 410 HD21 LEU 52 3HD2 LEU 52 -4.024 5.297 -0.294 411 HD22 LEU 52 1HD2 LEU 52 -4.219 3.772 0.570 412 HD23 LEU 52 2HD2 LEU 52 -3.045 3.899 -0.738 413 H ILE 53 H ILE 53 -1.283 2.743 4.457 414 HA ILE 53 HA ILE 53 0.556 0.654 4.143 415 HB ILE 53 HB ILE 53 -0.454 1.895 6.709 416 HG12 ILE 53 2HG1 ILE 53 2.034 2.490 5.092 417 HG13 ILE 53 3HG1 ILE 53 0.577 3.478 5.093 418 HG21 ILE 53 1HG2 ILE 53 0.604 -0.253 7.142 419 HG22 ILE 53 2HG2 ILE 53 1.628 1.065 7.714 420 HG23 ILE 53 3HG2 ILE 53 2.016 0.237 6.206 421 HD11 ILE 53 3HD1 ILE 53 2.350 2.943 7.467 422 HD12 ILE 53 1HD1 ILE 53 0.890 3.933 7.471 423 HD13 ILE 53 2HD1 ILE 53 2.290 4.434 6.523 424 H GLU 54 H GLU 54 -2.489 0.738 6.013 425 HA GLU 54 HA GLU 54 -2.241 -1.918 6.951 426 HB2 GLU 54 2HB GLU 54 -4.633 -0.100 6.717 427 HB3 GLU 54 3HB GLU 54 -4.709 -1.702 7.442 428 HG2 GLU 54 2HG GLU 54 -2.819 -0.882 8.968 429 HG3 GLU 54 3HG GLU 54 -3.259 0.732 8.410 430 H ARG 55 H ARG 55 -3.897 -0.551 4.140 431 HA ARG 55 HA ARG 55 -5.229 -2.898 3.353 432 HB2 ARG 55 2HB ARG 55 -5.761 -0.657 2.480 433 HB3 ARG 55 3HB ARG 55 -4.228 -0.631 1.621 434 HG2 ARG 55 2HG ARG 55 -4.918 -2.323 0.134 435 HG3 ARG 55 3HG ARG 55 -6.309 -2.741 1.138 436 HD2 ARG 55 2HD ARG 55 -5.903 -0.151 -0.356 437 HD3 ARG 55 3HD ARG 55 -7.007 -1.453 -0.807 438 HE ARG 55 HE ARG 55 -7.985 -0.958 1.538 439 HH11 ARG 55 1HH1 ARG 55 -6.755 1.393 -0.746 440 HH12 ARG 55 2HH1 ARG 55 -7.726 2.694 -0.121 441 HH21 ARG 55 1HH2 ARG 55 -9.254 0.722 2.370 442 HH22 ARG 55 2HH2 ARG 55 -9.164 2.309 1.656 443 H LEU 56 H LEU 56 -2.031 -1.628 2.545 444 HA LEU 56 HA LEU 56 -1.287 -3.699 0.785 445 HB2 LEU 56 2HB LEU 56 0.313 -1.816 2.502 446 HB3 LEU 56 3HB LEU 56 1.078 -3.012 1.473 447 HG LEU 56 HG LEU 56 -0.771 -0.840 0.481 448 HD11 LEU 56 1HD1 LEU 56 1.264 0.198 -0.403 449 HD12 LEU 56 2HD1 LEU 56 2.239 -1.037 0.395 450 HD13 LEU 56 3HD1 LEU 56 1.296 0.102 1.358 451 HD21 LEU 56 3HD2 LEU 56 -0.762 -2.834 -0.923 452 HD22 LEU 56 1HD2 LEU 56 1.002 -2.798 -0.977 453 HD23 LEU 56 2HD2 LEU 56 0.070 -1.500 -1.722 454 H ARG 57 H ARG 57 -0.845 -3.302 4.274 455 HA ARG 57 HA ARG 57 0.634 -5.618 4.772 456 HB2 ARG 57 2HB ARG 57 -1.323 -4.106 6.502 457 HB3 ARG 57 3HB ARG 57 -0.352 -5.445 7.100 458 HG2 ARG 57 2HG ARG 57 1.661 -4.258 6.799 459 HG3 ARG 57 3HG ARG 57 0.875 -3.030 5.808 460 HD2 ARG 57 2HD ARG 57 1.338 -2.169 8.034 461 HD3 ARG 57 3HD ARG 57 -0.399 -2.267 7.750 462 HE ARG 57 HE ARG 57 0.403 -4.628 9.012 463 HH11 ARG 57 1HH1 ARG 57 0.164 -1.205 9.722 464 HH12 ARG 57 2HH1 ARG 57 -0.075 -1.444 11.429 465 HH21 ARG 57 1HH2 ARG 57 0.068 -4.945 11.243 466 HH22 ARG 57 2HH2 ARG 57 -0.128 -3.565 12.286 467 H ALA 58 H ALA 58 -2.881 -5.144 4.713 468 HA ALA 58 HA ALA 58 -3.533 -7.808 5.437 469 HB1 ALA 58 3HB ALA 58 -5.191 -5.796 3.918 470 HB2 ALA 58 1HB ALA 58 -5.107 -5.949 5.675 471 HB3 ALA 58 2HB ALA 58 -5.790 -7.256 4.706 472 H TYR 59 H TYR 59 -3.007 -6.194 2.349 473 HA TYR 59 HA TYR 59 -3.921 -8.315 0.713 474 HB2 TYR 59 2HB TYR 59 -3.817 -6.172 -0.284 475 HB3 TYR 59 3HB TYR 59 -2.140 -5.941 0.195 476 HD1 TYR 59 HD2 TYR 59 -4.257 -8.153 -1.956 477 HD2 TYR 59 HD1 TYR 59 -0.468 -6.318 -1.341 478 HE1 TYR 59 HE2 TYR 59 -3.501 -8.986 -4.146 479 HE2 TYR 59 HE1 TYR 59 0.293 -7.139 -3.524 480 HH TYR 59 HH TYR 59 -1.844 -8.514 -5.834 481 H GLN 60 H GLN 60 -0.625 -7.358 1.719 482 HA GLN 60 HA GLN 60 0.629 -9.423 0.227 483 HB2 GLN 60 2HB GLN 60 1.779 -7.340 1.035 484 HB3 GLN 60 3HB GLN 60 1.780 -8.039 2.649 485 HG2 GLN 60 2HG GLN 60 2.842 -10.033 1.049 486 HG3 GLN 60 3HG GLN 60 3.540 -8.547 0.412 487 HE21 GLN 60 1HE2 GLN 60 3.302 -10.663 3.152 488 HE22 GLN 60 2HE2 GLN 60 4.640 -9.997 4.025 489 H ASP 61 H ASP 61 -0.731 -9.267 3.422 490 HA ASP 61 HA ASP 61 0.435 -11.467 4.653 491 HB2 ASP 61 2HB ASP 61 -1.030 -10.007 5.895 492 HB3 ASP 61 3HB ASP 61 -2.388 -10.391 4.843 493 H GLN 62 H GLN 62 -2.259 -11.315 2.394 494 HA GLN 62 HA GLN 62 -2.998 -14.042 2.549 495 HB2 GLN 62 2HB GLN 62 -3.395 -12.226 0.172 496 HB3 GLN 62 3HB GLN 62 -4.380 -13.605 0.647 497 HG2 GLN 62 2HG GLN 62 -5.090 -12.402 2.653 498 HG3 GLN 62 3HG GLN 62 -4.108 -11.023 2.167 499 HE21 GLN 62 1HE2 GLN 62 -6.941 -11.146 2.657 500 HE22 GLN 62 2HE2 GLN 62 -7.721 -10.636 1.193 501 H ILE 63 H ILE 63 -0.568 -12.323 0.781 502 HA ILE 63 HA ILE 63 -0.008 -14.480 -1.055 503 HB ILE 63 HB ILE 63 1.637 -12.014 -0.453 504 HG12 ILE 63 2HG1 ILE 63 -0.396 -12.469 -2.652 505 HG13 ILE 63 3HG1 ILE 63 -0.664 -11.470 -1.226 506 HG21 ILE 63 1HG2 ILE 63 2.901 -13.778 -1.549 507 HG22 ILE 63 2HG2 ILE 63 2.622 -12.436 -2.660 508 HG23 ILE 63 3HG2 ILE 63 1.663 -13.909 -2.798 509 HD11 ILE 63 3HD1 ILE 63 -0.123 -10.111 -3.155 510 HD12 ILE 63 1HD1 ILE 63 1.391 -10.989 -3.371 511 HD13 ILE 63 2HD1 ILE 63 1.149 -9.988 -1.939 512 H SER 64 H SER 64 1.868 -12.834 1.483 513 HA SER 64 HA SER 64 2.966 -15.402 2.330 514 HB2 SER 64 2HB SER 64 4.646 -13.018 1.516 515 HB3 SER 64 3HB SER 64 5.270 -14.419 2.386 516 HG SER 64 HG SER 64 4.259 -15.615 0.485 517 HA PRO 65 HA PRO 65 2.200 -13.557 6.285 518 HB2 PRO 65 2HB PRO 65 3.756 -15.180 7.819 519 HB3 PRO 65 3HB PRO 65 2.193 -15.675 7.162 520 HG2 PRO 65 2HG PRO 65 4.947 -16.265 6.146 521 HG3 PRO 65 3HG PRO 65 3.545 -17.344 6.271 522 HD2 PRO 65 2HD PRO 65 4.284 -16.186 3.941 523 HD3 PRO 65 3HD PRO 65 2.590 -16.533 4.339 524 H VAL 66 H VAL 66 3.424 -12.672 8.171 525 HA VAL 66 HA VAL 66 5.374 -10.837 7.334 526 HB VAL 66 HB VAL 66 5.690 -10.335 9.747 527 HG11 VAL 66 1HG1 VAL 66 3.405 -9.565 10.160 528 HG12 VAL 66 2HG1 VAL 66 2.814 -10.626 8.882 529 HG13 VAL 66 3HG1 VAL 66 3.883 -9.280 8.486 530 HG21 VAL 66 3HG2 VAL 66 5.464 -12.590 10.637 531 HG22 VAL 66 1HG2 VAL 66 3.771 -12.630 10.144 532 HG23 VAL 66 2HG2 VAL 66 4.299 -11.504 11.397 533 HA PRO 67 HA PRO 67 9.177 -13.043 7.474 534 HB2 PRO 67 2HB PRO 67 10.856 -11.056 8.348 535 HB3 PRO 67 3HB PRO 67 10.269 -11.200 6.690 536 HG2 PRO 67 2HG PRO 67 9.277 -9.461 8.907 537 HG3 PRO 67 3HG PRO 67 9.496 -9.071 7.191 538 HD2 PRO 67 2HD PRO 67 7.073 -9.622 8.227 539 HD3 PRO 67 3HD PRO 67 7.521 -10.106 6.577 540 H GLY 68 H GLY 68 9.093 -10.809 10.259 541 HA2 GLY 68 2HA GLY 68 9.440 -13.095 12.056 542 HA3 GLY 68 3HA GLY 68 10.634 -11.802 12.107 543 H ALA 69 H ALA 69 7.329 -12.689 12.722 544 HA ALA 69 HA ALA 69 5.745 -11.892 14.128 545 HB1 ALA 69 3HB ALA 69 7.839 -9.954 15.114 546 HB2 ALA 69 1HB ALA 69 7.540 -11.564 15.771 547 HB3 ALA 69 2HB ALA 69 6.298 -10.318 15.891 548 HA PRO 70 HA PRO 70 4.015 -8.598 11.718 549 HB2 PRO 70 2HB PRO 70 1.997 -8.317 13.831 550 HB3 PRO 70 3HB PRO 70 1.794 -8.829 12.154 551 HG2 PRO 70 2HG PRO 70 1.539 -10.545 14.218 552 HG3 PRO 70 3HG PRO 70 2.180 -11.047 12.642 553 HD2 PRO 70 2HD PRO 70 3.651 -10.405 15.175 554 HD3 PRO 70 3HD PRO 70 3.938 -11.712 14.004 555 H LYS 71 H LYS 71 5.201 -6.770 11.793 556 HA LYS 71 HA LYS 71 5.870 -5.414 14.193 557 HB2 LYS 71 2HB LYS 71 6.174 -4.785 11.283 558 HB3 LYS 71 3HB LYS 71 6.450 -3.523 12.472 559 HG2 LYS 71 2HG LYS 71 8.540 -4.536 11.852 560 HG3 LYS 71 3HG LYS 71 8.175 -4.927 13.531 561 HD2 LYS 71 2HD LYS 71 7.401 -7.134 12.857 562 HD3 LYS 71 3HD LYS 71 7.702 -6.736 11.166 563 HE2 LYS 71 2HE LYS 71 9.506 -8.096 12.100 564 HE3 LYS 71 3HE LYS 71 10.078 -6.498 11.626 565 HZ1 LYS 71 3HZ LYS 71 9.341 -7.224 14.412 566 HZ2 LYS 71 1HZ LYS 71 10.099 -5.798 13.894 567 HZ3 LYS 71 2HZ LYS 71 10.925 -7.276 13.807 568 H ALA 72 H ALA 72 4.033 -4.893 15.310 569 HA ALA 72 HA ALA 72 2.799 -2.423 14.458 570 HB1 ALA 72 3HB ALA 72 0.507 -3.200 14.758 571 HB2 ALA 72 1HB ALA 72 1.092 -4.841 15.031 572 HB3 ALA 72 2HB ALA 72 1.311 -4.079 13.455 573 HA PRO 73 HA PRO 73 3.106 -2.763 19.045 574 HB2 PRO 73 2HB PRO 73 5.601 -1.732 19.471 575 HB3 PRO 73 3HB PRO 73 5.287 -3.453 19.247 576 HG2 PRO 73 2HG PRO 73 6.690 -1.630 17.494 577 HG3 PRO 73 3HG PRO 73 6.498 -3.383 17.337 578 HD2 PRO 73 2HD PRO 73 4.995 -1.205 16.037 579 HD3 PRO 73 3HD PRO 73 5.154 -2.909 15.557 580 H ALA 74 H ALA 74 1.506 -1.081 18.721 581 HA ALA 74 HA ALA 74 0.647 1.019 18.686 582 HB1 ALA 74 3HB ALA 74 1.721 1.131 20.882 583 HB2 ALA 74 1HB ALA 74 1.736 2.700 20.078 584 HB3 ALA 74 2HB ALA 74 3.203 1.723 20.129 585 H ALA 75 H ALA 75 1.115 0.740 16.314 586 HA ALA 75 HA ALA 75 2.767 2.964 15.370 587 HB1 ALA 75 3HB ALA 75 2.798 0.190 14.176 588 HB2 ALA 75 1HB ALA 75 4.099 0.917 15.119 589 HB3 ALA 75 2HB ALA 75 3.659 1.598 13.552 Start of MODEL 9 1 H1 MET 1 1H MET 1 8.482 -23.700 -36.470 2 H2 MET 1 2H MET 1 7.512 -24.625 -35.432 3 H3 MET 1 3H MET 1 9.096 -24.230 -34.980 4 HA MET 1 HA MET 1 7.555 -22.859 -33.788 5 HB2 MET 1 2HB MET 1 9.085 -21.412 -35.955 6 HB3 MET 1 3HB MET 1 8.324 -20.600 -34.597 7 HG2 MET 1 2HG MET 1 10.619 -20.834 -34.087 8 HG3 MET 1 3HG MET 1 9.740 -21.985 -33.083 9 HE1 MET 1 3HE MET 1 12.108 -23.118 -32.579 10 HE2 MET 1 1HE MET 1 12.926 -22.014 -33.683 11 HE3 MET 1 2HE MET 1 13.175 -23.753 -33.832 12 H GLY 2 H GLY 2 5.914 -21.235 -33.812 13 HA2 GLY 2 2HA GLY 2 4.595 -20.222 -36.023 14 HA3 GLY 2 3HA GLY 2 3.849 -21.781 -35.698 15 H HIS 3 H HIS 3 3.301 -18.676 -35.275 16 HA HIS 3 HA HIS 3 2.360 -18.914 -32.500 17 HB2 HIS 3 2HB HIS 3 2.556 -16.484 -34.291 18 HB3 HIS 3 3HB HIS 3 1.928 -16.469 -32.648 19 HD1 HIS 3 HD1 HIS 3 4.879 -15.697 -34.408 20 HD2 HIS 3 HD2 HIS 3 4.088 -17.628 -30.806 21 HE1 HIS 3 HE1 HIS 3 7.027 -15.600 -33.093 22 HE2 HIS 3 HE2 HIS 3 6.536 -16.788 -30.920 23 H HIS 4 H HIS 4 0.645 -20.299 -32.905 24 HA HIS 4 HA HIS 4 -1.831 -19.144 -33.561 25 HB2 HIS 4 2HB HIS 4 -1.116 -19.194 -35.868 26 HB3 HIS 4 3HB HIS 4 -0.573 -20.858 -35.720 27 HD1 HIS 4 HD1 HIS 4 -3.817 -18.871 -35.657 28 HD2 HIS 4 HD2 HIS 4 -2.420 -22.710 -36.412 29 HE1 HIS 4 HE1 HIS 4 -5.779 -20.131 -36.597 30 HE2 HIS 4 HE2 HIS 4 -4.855 -22.394 -37.221 31 H HIS 5 H HIS 5 -2.787 -20.150 -31.896 32 HA HIS 5 HA HIS 5 -3.185 -23.012 -32.248 33 HB2 HIS 5 2HB HIS 5 -2.965 -23.461 -29.814 34 HB3 HIS 5 3HB HIS 5 -1.451 -23.007 -30.571 35 HD1 HIS 5 HD1 HIS 5 -0.358 -20.789 -29.811 36 HD2 HIS 5 HD2 HIS 5 -3.910 -21.708 -27.848 37 HE1 HIS 5 HE1 HIS 5 -0.436 -19.279 -27.799 38 HE2 HIS 5 HE2 HIS 5 -2.496 -19.988 -26.526 39 H HIS 6 H HIS 6 -5.251 -23.063 -32.710 40 HA HIS 6 HA HIS 6 -7.067 -21.058 -31.808 41 HB2 HIS 6 2HB HIS 6 -7.236 -22.276 -34.000 42 HB3 HIS 6 3HB HIS 6 -7.750 -23.703 -33.106 43 HD1 HIS 6 HD1 HIS 6 -8.902 -20.295 -34.156 44 HD2 HIS 6 HD2 HIS 6 -10.384 -23.647 -32.191 45 HE1 HIS 6 HE1 HIS 6 -11.388 -19.936 -33.979 46 HE2 HIS 6 HE2 HIS 6 -12.280 -22.060 -32.953 47 H HIS 7 H HIS 7 -7.109 -21.082 -29.606 48 HA HIS 7 HA HIS 7 -9.030 -22.812 -28.425 49 HB2 HIS 7 2HB HIS 7 -6.877 -24.201 -28.402 50 HB3 HIS 7 3HB HIS 7 -6.254 -23.031 -27.249 51 HD1 HIS 7 HD1 HIS 7 -6.097 -25.084 -25.576 52 HD2 HIS 7 HD2 HIS 7 -9.949 -23.995 -26.711 53 HE1 HIS 7 HE1 HIS 7 -7.633 -26.204 -23.933 54 HE2 HIS 7 HE2 HIS 7 -9.956 -25.700 -24.764 55 H HIS 8 H HIS 8 -10.084 -20.991 -27.800 56 HA HIS 8 HA HIS 8 -8.668 -18.763 -26.645 57 HB2 HIS 8 2HB HIS 8 -10.612 -18.414 -28.127 58 HB3 HIS 8 3HB HIS 8 -11.645 -19.231 -26.960 59 HD1 HIS 8 HD1 HIS 8 -10.072 -15.970 -27.725 60 HD2 HIS 8 HD2 HIS 8 -12.161 -17.727 -24.588 61 HE1 HIS 8 HE1 HIS 8 -10.742 -14.081 -26.211 62 HE2 HIS 8 HE2 HIS 8 -12.200 -15.145 -24.452 63 H SER 9 H SER 9 -7.900 -19.044 -24.650 64 HA SER 9 HA SER 9 -9.626 -20.354 -22.677 65 HB2 SER 9 2HB SER 9 -7.469 -20.598 -21.379 66 HB3 SER 9 3HB SER 9 -7.541 -21.492 -22.899 67 HG SER 9 HG SER 9 -5.680 -20.500 -23.165 68 H HIS 10 H HIS 10 -7.465 -17.550 -23.097 69 HA HIS 10 HA HIS 10 -7.242 -15.588 -21.962 70 HB2 HIS 10 2HB HIS 10 -9.668 -15.342 -22.523 71 HB3 HIS 10 3HB HIS 10 -10.075 -16.136 -21.007 72 HD1 HIS 10 HD1 HIS 10 -11.028 -14.380 -19.551 73 HD2 HIS 10 HD2 HIS 10 -7.654 -13.039 -21.585 74 HE1 HIS 10 HE1 HIS 10 -10.583 -12.064 -18.676 75 HE2 HIS 10 HE2 HIS 10 -8.637 -11.216 -20.027 76 H MET 11 H MET 11 -6.496 -18.132 -20.830 77 HA MET 11 HA MET 11 -7.070 -17.961 -17.981 78 HB2 MET 11 2HB MET 11 -7.179 -20.116 -19.240 79 HB3 MET 11 3HB MET 11 -5.447 -20.008 -19.505 80 HG2 MET 11 2HG MET 11 -5.034 -20.180 -17.135 81 HG3 MET 11 3HG MET 11 -6.766 -20.147 -16.805 82 HE1 MET 11 3HE MET 11 -7.945 -21.958 -19.115 83 HE2 MET 11 1HE MET 11 -8.438 -22.093 -17.426 84 HE3 MET 11 2HE MET 11 -7.973 -23.534 -18.327 85 H SER 12 H SER 12 -4.845 -16.659 -20.057 86 HA SER 12 HA SER 12 -2.703 -16.645 -18.046 87 HB2 SER 12 2HB SER 12 -2.068 -17.335 -20.343 88 HB3 SER 12 3HB SER 12 -2.620 -15.776 -20.950 89 HG SER 12 HG SER 12 -0.274 -16.451 -19.704 90 H THR 13 H THR 13 -2.441 -14.885 -16.826 91 HA THR 13 HA THR 13 -3.920 -12.469 -17.571 92 HB THR 13 HB THR 13 -3.477 -11.763 -15.199 93 HG1 THR 13 HG1 THR 13 -2.564 -14.465 -14.956 94 HG21 THR 13 3HG2 THR 13 -5.132 -13.294 -14.224 95 HG22 THR 13 1HG2 THR 13 -4.929 -14.372 -15.605 96 HG23 THR 13 2HG2 THR 13 -5.600 -12.758 -15.838 97 HA PRO 14 HA PRO 14 -0.142 -10.271 -18.533 98 HB2 PRO 14 2HB PRO 14 -1.704 -7.874 -17.791 99 HB3 PRO 14 3HB PRO 14 -0.919 -8.275 -19.322 100 HG2 PRO 14 2HG PRO 14 -3.582 -8.329 -19.073 101 HG3 PRO 14 3HG PRO 14 -2.719 -9.510 -20.078 102 HD2 PRO 14 2HD PRO 14 -3.849 -9.832 -17.321 103 HD3 PRO 14 3HD PRO 14 -3.891 -10.958 -18.696 104 H LEU 15 H LEU 15 1.532 -9.959 -17.195 105 HA LEU 15 HA LEU 15 1.026 -8.900 -14.506 106 HB2 LEU 15 2HB LEU 15 1.069 -11.387 -14.452 107 HB3 LEU 15 3HB LEU 15 2.694 -11.347 -15.105 108 HG LEU 15 HG LEU 15 3.388 -10.053 -13.060 109 HD11 LEU 15 1HD1 LEU 15 1.906 -10.205 -11.102 110 HD12 LEU 15 2HD1 LEU 15 0.635 -10.867 -12.132 111 HD13 LEU 15 3HD1 LEU 15 1.214 -9.220 -12.392 112 HD21 LEU 15 3HD2 LEU 15 3.448 -12.035 -11.621 113 HD22 LEU 15 1HD2 LEU 15 3.846 -12.428 -13.294 114 HD23 LEU 15 2HD2 LEU 15 2.250 -12.816 -12.654 115 H THR 16 H THR 16 2.452 -7.376 -13.942 116 HA THR 16 HA THR 16 4.627 -6.655 -15.632 117 HB THR 16 HB THR 16 4.081 -5.741 -12.796 118 HG1 THR 16 HG1 THR 16 2.532 -4.544 -13.615 119 HG21 THR 16 3HG2 THR 16 6.317 -5.167 -13.580 120 HG22 THR 16 1HG2 THR 16 5.309 -3.723 -13.492 121 HG23 THR 16 2HG2 THR 16 5.638 -4.475 -15.054 122 H GLY 17 H GLY 17 4.397 -8.178 -12.422 123 HA2 GLY 17 2HA GLY 17 5.776 -10.149 -12.062 124 HA3 GLY 17 3HA GLY 17 7.050 -9.349 -12.967 125 H LYS 18 H LYS 18 5.152 -7.614 -10.598 126 HA LYS 18 HA LYS 18 7.553 -7.105 -9.081 127 HB2 LYS 18 2HB LYS 18 4.716 -6.135 -8.837 128 HB3 LYS 18 3HB LYS 18 5.901 -5.818 -7.577 129 HG2 LYS 18 2HG LYS 18 5.998 -4.918 -10.446 130 HG3 LYS 18 3HG LYS 18 5.830 -3.914 -9.003 131 HD2 LYS 18 2HD LYS 18 8.076 -4.707 -8.270 132 HD3 LYS 18 3HD LYS 18 8.241 -5.541 -9.813 133 HE2 LYS 18 2HE LYS 18 9.387 -3.485 -10.040 134 HE3 LYS 18 3HE LYS 18 7.871 -3.308 -10.925 135 HZ1 LYS 18 3HZ LYS 18 8.421 -1.366 -9.540 136 HZ2 LYS 18 1HZ LYS 18 8.330 -2.341 -8.157 137 HZ3 LYS 18 2HZ LYS 18 6.944 -2.079 -9.096 138 HA PRO 19 HA PRO 19 7.307 -10.328 -6.149 139 HB2 PRO 19 2HB PRO 19 8.086 -8.389 -4.064 140 HB3 PRO 19 3HB PRO 19 8.926 -9.838 -4.622 141 HG2 PRO 19 2HG PRO 19 9.812 -7.378 -5.220 142 HG3 PRO 19 3HG PRO 19 9.959 -8.726 -6.364 143 HD2 PRO 19 2HD PRO 19 8.005 -6.465 -6.335 144 HD3 PRO 19 3HD PRO 19 8.817 -7.238 -7.712 145 H GLY 20 H GLY 20 5.944 -11.196 -4.667 146 HA2 GLY 20 2HA GLY 20 3.667 -9.598 -3.812 147 HA3 GLY 20 3HA GLY 20 3.858 -11.336 -3.619 148 H ALA 21 H ALA 21 5.890 -8.603 -2.624 149 HA ALA 21 HA ALA 21 5.439 -9.259 0.182 150 HB1 ALA 21 3HB ALA 21 7.835 -9.376 0.664 151 HB2 ALA 21 1HB ALA 21 8.195 -9.201 -1.053 152 HB3 ALA 21 2HB ALA 21 7.362 -10.640 -0.469 153 H LEU 22 H LEU 22 6.347 -7.573 1.617 154 HA LEU 22 HA LEU 22 6.451 -4.974 0.237 155 HB2 LEU 22 2HB LEU 22 5.162 -5.619 2.885 156 HB3 LEU 22 3HB LEU 22 5.289 -4.018 2.188 157 HG LEU 22 HG LEU 22 3.746 -6.308 0.971 158 HD11 LEU 22 1HD1 LEU 22 2.735 -5.556 3.043 159 HD12 LEU 22 2HD1 LEU 22 1.770 -5.038 1.659 160 HD13 LEU 22 3HD1 LEU 22 2.809 -3.882 2.492 161 HD21 LEU 22 3HD2 LEU 22 3.863 -3.383 0.230 162 HD22 LEU 22 1HD2 LEU 22 2.839 -4.608 -0.520 163 HD23 LEU 22 2HD2 LEU 22 4.591 -4.705 -0.681 164 HA PRO 23 HA PRO 23 10.115 -4.270 2.706 165 HB2 PRO 23 2HB PRO 23 10.370 -1.620 2.236 166 HB3 PRO 23 3HB PRO 23 10.783 -2.838 1.024 167 HG2 PRO 23 2HG PRO 23 8.329 -1.152 1.261 168 HG3 PRO 23 3HG PRO 23 9.241 -1.607 -0.190 169 HD2 PRO 23 2HD PRO 23 6.918 -2.827 0.602 170 HD3 PRO 23 3HD PRO 23 8.167 -3.620 -0.376 171 H ALA 24 H ALA 24 10.609 -3.342 4.717 172 HA ALA 24 HA ALA 24 8.294 -2.684 6.317 173 HB1 ALA 24 3HB ALA 24 9.818 -2.811 8.211 174 HB2 ALA 24 1HB ALA 24 11.195 -2.912 7.113 175 HB3 ALA 24 2HB ALA 24 10.006 -4.216 7.163 176 H ASN 25 H ASN 25 9.543 -0.800 4.248 177 HA ASN 25 HA ASN 25 9.694 1.544 6.025 178 HB2 ASN 25 2HB ASN 25 11.216 1.025 3.462 179 HB3 ASN 25 3HB ASN 25 11.111 2.609 4.221 180 HD21 ASN 25 1HD2 ASN 25 12.093 2.926 6.254 181 HD22 ASN 25 2HD2 ASN 25 13.366 1.877 6.804 182 H LEU 26 H LEU 26 7.348 0.370 4.861 183 HA LEU 26 HA LEU 26 6.507 1.657 2.515 184 HB2 LEU 26 2HB LEU 26 4.924 0.586 4.846 185 HB3 LEU 26 3HB LEU 26 4.190 1.172 3.365 186 HG LEU 26 HG LEU 26 6.096 -1.164 3.558 187 HD11 LEU 26 1HD1 LEU 26 3.949 -1.663 4.581 188 HD12 LEU 26 2HD1 LEU 26 4.124 -2.521 3.050 189 HD13 LEU 26 3HD1 LEU 26 3.112 -1.080 3.144 190 HD21 LEU 26 3HD2 LEU 26 4.484 -0.133 1.229 191 HD22 LEU 26 1HD2 LEU 26 5.502 -1.573 1.237 192 HD23 LEU 26 2HD2 LEU 26 6.229 0.024 1.419 193 H ASP 27 H ASP 27 6.645 2.763 5.822 194 HA ASP 27 HA ASP 27 4.920 5.024 5.315 195 HB2 ASP 27 2HB ASP 27 5.017 3.972 7.557 196 HB3 ASP 27 3HB ASP 27 6.694 4.487 7.705 197 H ASP 28 H ASP 28 8.310 4.299 5.217 198 HA ASP 28 HA ASP 28 9.259 6.979 5.050 199 HB2 ASP 28 2HB ASP 28 10.399 4.356 4.083 200 HB3 ASP 28 3HB ASP 28 11.230 5.888 3.851 201 H MET 29 H MET 29 7.800 4.745 2.857 202 HA MET 29 HA MET 29 8.441 6.152 0.455 203 HB2 MET 29 2HB MET 29 6.293 4.105 1.046 204 HB3 MET 29 3HB MET 29 6.697 4.696 -0.561 205 HG2 MET 29 2HG MET 29 8.895 3.744 -0.423 206 HG3 MET 29 3HG MET 29 8.637 3.290 1.260 207 HE1 MET 29 3HE MET 29 6.380 1.368 -2.284 208 HE2 MET 29 1HE MET 29 7.624 2.604 -2.480 209 HE3 MET 29 2HE MET 29 6.083 3.013 -1.726 210 H LYS 30 H LYS 30 6.906 7.279 -0.882 211 HA LYS 30 HA LYS 30 5.355 9.158 0.642 212 HB2 LYS 30 2HB LYS 30 5.891 8.840 -2.310 213 HB3 LYS 30 3HB LYS 30 4.866 10.111 -1.657 214 HG2 LYS 30 2HG LYS 30 6.694 11.064 -0.459 215 HG3 LYS 30 3HG LYS 30 7.738 9.703 -0.873 216 HD2 LYS 30 2HD LYS 30 7.757 10.321 -3.175 217 HD3 LYS 30 3HD LYS 30 6.492 11.526 -2.923 218 HE2 LYS 30 2HE LYS 30 8.762 12.494 -3.146 219 HE3 LYS 30 3HE LYS 30 7.970 12.888 -1.622 220 HZ1 LYS 30 3HZ LYS 30 9.310 11.349 -0.466 221 HZ2 LYS 30 1HZ LYS 30 10.365 12.224 -1.463 222 HZ3 LYS 30 2HZ LYS 30 9.899 10.651 -1.896 223 H VAL 31 H VAL 31 3.140 9.786 -0.163 224 HA VAL 31 HA VAL 31 1.354 7.610 0.082 225 HB VAL 31 HB VAL 31 0.809 10.416 -0.911 226 HG11 VAL 31 1HG1 VAL 31 -1.098 8.326 0.134 227 HG12 VAL 31 2HG1 VAL 31 -0.974 8.868 -1.538 228 HG13 VAL 31 3HG1 VAL 31 -1.518 9.986 -0.286 229 HG21 VAL 31 3HG2 VAL 31 0.063 10.839 1.393 230 HG22 VAL 31 1HG2 VAL 31 1.771 10.404 1.323 231 HG23 VAL 31 2HG2 VAL 31 0.578 9.215 1.849 232 H ALA 32 H ALA 32 2.404 9.545 -2.699 233 HA ALA 32 HA ALA 32 0.813 8.290 -4.650 234 HB1 ALA 32 3HB ALA 32 3.548 9.514 -5.008 235 HB2 ALA 32 1HB ALA 32 2.021 10.401 -5.022 236 HB3 ALA 32 2HB ALA 32 2.359 9.208 -6.277 237 H GLU 33 H GLU 33 3.983 7.506 -3.334 238 HA GLU 33 HA GLU 33 4.728 5.406 -5.001 239 HB2 GLU 33 2HB GLU 33 5.194 5.794 -2.040 240 HB3 GLU 33 3HB GLU 33 6.011 4.580 -3.014 241 HG2 GLU 33 2HG GLU 33 6.139 7.513 -3.623 242 HG3 GLU 33 3HG GLU 33 7.283 6.700 -2.555 243 H LEU 34 H LEU 34 2.883 5.316 -1.970 244 HA LEU 34 HA LEU 34 2.388 2.559 -1.928 245 HB2 LEU 34 2HB LEU 34 0.688 4.794 -0.815 246 HB3 LEU 34 3HB LEU 34 0.561 3.101 -0.376 247 HG LEU 34 HG LEU 34 2.961 4.862 0.142 248 HD11 LEU 34 1HD1 LEU 34 1.044 5.475 1.514 249 HD12 LEU 34 2HD1 LEU 34 2.298 4.703 2.485 250 HD13 LEU 34 3HD1 LEU 34 0.860 3.795 2.020 251 HD21 LEU 34 3HD2 LEU 34 3.791 2.991 1.466 252 HD22 LEU 34 1HD2 LEU 34 3.559 2.513 -0.216 253 HD23 LEU 34 2HD2 LEU 34 2.386 2.028 1.006 254 H LYS 35 H LYS 35 0.521 5.246 -3.288 255 HA LYS 35 HA LYS 35 -1.701 3.751 -4.111 256 HB2 LYS 35 2HB LYS 35 -0.546 6.341 -5.117 257 HB3 LYS 35 3HB LYS 35 -2.010 5.641 -5.794 258 HG2 LYS 35 2HG LYS 35 -2.990 5.668 -3.500 259 HG3 LYS 35 3HG LYS 35 -1.568 6.569 -2.966 260 HD2 LYS 35 2HD LYS 35 -2.082 8.365 -4.500 261 HD3 LYS 35 3HD LYS 35 -3.420 7.439 -5.184 262 HE2 LYS 35 2HE LYS 35 -4.521 7.471 -2.973 263 HE3 LYS 35 3HE LYS 35 -3.219 8.495 -2.366 264 HZ1 LYS 35 3HZ LYS 35 -5.175 9.779 -3.029 265 HZ2 LYS 35 1HZ LYS 35 -5.034 9.193 -4.617 266 HZ3 LYS 35 2HZ LYS 35 -3.818 10.181 -3.963 267 H GLN 36 H GLN 36 1.328 4.499 -5.802 268 HA GLN 36 HA GLN 36 0.643 3.348 -8.269 269 HB2 GLN 36 2HB GLN 36 3.330 3.616 -6.910 270 HB3 GLN 36 3HB GLN 36 3.128 3.045 -8.562 271 HG2 GLN 36 2HG GLN 36 2.258 5.737 -7.537 272 HG3 GLN 36 3HG GLN 36 3.741 5.416 -8.436 273 HE21 GLN 36 1HE2 GLN 36 3.623 4.983 -10.637 274 HE22 GLN 36 2HE2 GLN 36 2.197 5.292 -11.567 275 H GLU 37 H GLU 37 2.200 1.932 -5.413 276 HA GLU 37 HA GLU 37 2.505 -0.659 -6.465 277 HB2 GLU 37 2HB GLU 37 2.238 0.297 -3.615 278 HB3 GLU 37 3HB GLU 37 2.669 -1.349 -4.063 279 HG2 GLU 37 2HG GLU 37 4.230 1.139 -4.723 280 HG3 GLU 37 3HG GLU 37 4.637 -0.056 -3.492 281 H LEU 38 H LEU 38 -0.177 0.920 -4.858 282 HA LEU 38 HA LEU 38 -1.772 -1.388 -4.466 283 HB2 LEU 38 2HB LEU 38 -2.458 1.538 -4.676 284 HB3 LEU 38 3HB LEU 38 -3.659 0.306 -4.350 285 HG LEU 38 HG LEU 38 -1.249 0.738 -2.590 286 HD11 LEU 38 1HD1 LEU 38 -2.580 2.790 -2.671 287 HD12 LEU 38 2HD1 LEU 38 -2.711 1.993 -1.104 288 HD13 LEU 38 3HD1 LEU 38 -4.029 1.864 -2.269 289 HD21 LEU 38 3HD2 LEU 38 -2.307 -1.443 -2.380 290 HD22 LEU 38 1HD2 LEU 38 -3.882 -0.679 -2.160 291 HD23 LEU 38 2HD2 LEU 38 -2.621 -0.466 -0.945 292 H LYS 39 H LYS 39 -1.957 1.180 -6.947 293 HA LYS 39 HA LYS 39 -4.120 -0.022 -8.299 294 HB2 LYS 39 2HB LYS 39 -3.709 1.604 -10.076 295 HB3 LYS 39 3HB LYS 39 -3.651 2.361 -8.494 296 HG2 LYS 39 2HG LYS 39 -1.192 2.299 -8.584 297 HG3 LYS 39 3HG LYS 39 -1.288 1.610 -10.204 298 HD2 LYS 39 2HD LYS 39 -0.909 3.970 -10.411 299 HD3 LYS 39 3HD LYS 39 -2.567 3.631 -10.913 300 HE2 LYS 39 2HE LYS 39 -3.357 4.313 -8.678 301 HE3 LYS 39 3HE LYS 39 -1.697 4.705 -8.232 302 HZ1 LYS 39 3HZ LYS 39 -1.659 6.363 -10.004 303 HZ2 LYS 39 1HZ LYS 39 -2.900 6.682 -8.895 304 HZ3 LYS 39 2HZ LYS 39 -3.266 5.994 -10.400 305 H LEU 40 H LEU 40 -0.690 -0.526 -8.541 306 HA LEU 40 HA LEU 40 -0.866 -1.889 -11.076 307 HB2 LEU 40 2HB LEU 40 1.369 -1.682 -9.059 308 HB3 LEU 40 3HB LEU 40 1.508 -2.522 -10.592 309 HG LEU 40 HG LEU 40 0.965 0.428 -10.248 310 HD11 LEU 40 1HD1 LEU 40 3.417 -1.057 -11.169 311 HD12 LEU 40 2HD1 LEU 40 3.241 -0.159 -9.664 312 HD13 LEU 40 3HD1 LEU 40 3.207 0.692 -11.206 313 HD21 LEU 40 3HD2 LEU 40 1.224 0.563 -12.665 314 HD22 LEU 40 1HD2 LEU 40 -0.119 -0.496 -12.240 315 HD23 LEU 40 2HD2 LEU 40 1.419 -1.186 -12.754 316 H ARG 41 H ARG 41 -1.590 -2.708 -7.901 317 HA ARG 41 HA ARG 41 -1.363 -5.579 -8.520 318 HB2 ARG 41 2HB ARG 41 -1.232 -4.111 -5.893 319 HB3 ARG 41 3HB ARG 41 -1.564 -5.836 -5.973 320 HG2 ARG 41 2HG ARG 41 0.561 -6.252 -7.019 321 HG3 ARG 41 3HG ARG 41 0.889 -4.522 -7.127 322 HD2 ARG 41 2HD ARG 41 0.984 -4.339 -4.730 323 HD3 ARG 41 3HD ARG 41 0.475 -6.016 -4.543 324 HE ARG 41 HE ARG 41 2.608 -6.719 -5.259 325 HH11 ARG 41 1HH1 ARG 41 2.346 -3.241 -5.093 326 HH12 ARG 41 2HH1 ARG 41 4.069 -2.977 -5.014 327 HH21 ARG 41 1HH2 ARG 41 4.869 -6.397 -5.130 328 HH22 ARG 41 2HH2 ARG 41 5.501 -4.777 -5.012 329 H SER 42 H SER 42 -3.503 -3.431 -9.008 330 HA SER 42 HA SER 42 -5.743 -3.505 -9.363 331 HB2 SER 42 2HB SER 42 -5.382 -5.929 -9.808 332 HB3 SER 42 3HB SER 42 -5.667 -6.261 -8.102 333 HG SER 42 HG SER 42 -7.758 -5.212 -8.443 334 H LEU 43 H LEU 43 -4.391 -2.804 -6.710 335 HA LEU 43 HA LEU 43 -6.613 -3.143 -4.842 336 HB2 LEU 43 2HB LEU 43 -3.792 -2.130 -4.545 337 HB3 LEU 43 3HB LEU 43 -4.973 -2.027 -3.254 338 HG LEU 43 HG LEU 43 -4.289 -4.667 -4.519 339 HD11 LEU 43 1HD1 LEU 43 -2.906 -3.346 -2.183 340 HD12 LEU 43 2HD1 LEU 43 -2.190 -3.663 -3.764 341 HD13 LEU 43 3HD1 LEU 43 -2.664 -5.007 -2.725 342 HD21 LEU 43 3HD2 LEU 43 -6.301 -4.531 -3.136 343 HD22 LEU 43 1HD2 LEU 43 -5.346 -3.858 -1.814 344 HD23 LEU 43 2HD2 LEU 43 -5.056 -5.512 -2.357 345 HA PRO 44 HA PRO 44 -8.103 1.023 -5.452 346 HB2 PRO 44 2HB PRO 44 -9.135 1.435 -2.940 347 HB3 PRO 44 3HB PRO 44 -9.966 0.537 -4.216 348 HG2 PRO 44 2HG PRO 44 -8.380 -0.483 -1.900 349 HG3 PRO 44 3HG PRO 44 -9.894 -1.106 -2.582 350 HD2 PRO 44 2HD PRO 44 -7.507 -2.259 -3.086 351 HD3 PRO 44 3HD PRO 44 -8.809 -2.220 -4.294 352 H VAL 45 H VAL 45 -7.280 3.040 -5.160 353 HA VAL 45 HA VAL 45 -4.914 3.200 -3.425 354 HB VAL 45 HB VAL 45 -4.179 5.055 -4.808 355 HG11 VAL 45 1HG1 VAL 45 -5.118 2.692 -6.427 356 HG12 VAL 45 2HG1 VAL 45 -3.601 2.821 -5.537 357 HG13 VAL 45 3HG1 VAL 45 -3.894 3.854 -6.938 358 HG21 VAL 45 3HG2 VAL 45 -6.742 4.677 -6.360 359 HG22 VAL 45 1HG2 VAL 45 -5.428 5.780 -6.773 360 HG23 VAL 45 2HG2 VAL 45 -6.370 6.040 -5.304 361 H SER 46 H SER 46 -8.066 4.024 -3.182 362 HA SER 46 HA SER 46 -7.746 6.710 -2.179 363 HB2 SER 46 2HB SER 46 -10.150 4.879 -2.064 364 HB3 SER 46 3HB SER 46 -10.142 6.618 -1.763 365 HG SER 46 HG SER 46 -10.206 5.262 -4.126 366 H GLY 47 H GLY 47 -7.342 7.294 -0.146 367 HA2 GLY 47 2HA GLY 47 -8.222 6.505 2.223 368 HA3 GLY 47 3HA GLY 47 -7.084 5.210 1.874 369 H THR 48 H THR 48 -6.588 6.636 4.093 370 HA THR 48 HA THR 48 -4.749 8.789 3.471 371 HB THR 48 HB THR 48 -4.347 8.782 5.964 372 HG1 THR 48 HG1 THR 48 -6.540 6.944 5.958 373 HG21 THR 48 3HG2 THR 48 -7.195 9.056 5.006 374 HG22 THR 48 1HG2 THR 48 -5.950 10.304 4.953 375 HG23 THR 48 2HG2 THR 48 -6.554 9.725 6.506 376 H LYS 49 H LYS 49 -2.641 8.597 5.013 377 HA LYS 49 HA LYS 49 -0.869 7.008 3.603 378 HB2 LYS 49 2HB LYS 49 -0.208 8.965 4.903 379 HB3 LYS 49 3HB LYS 49 -0.589 8.125 6.397 380 HG2 LYS 49 2HG LYS 49 1.767 8.102 6.118 381 HG3 LYS 49 3HG LYS 49 1.176 6.463 5.831 382 HD2 LYS 49 2HD LYS 49 1.309 6.818 3.428 383 HD3 LYS 49 3HD LYS 49 1.834 8.483 3.689 384 HE2 LYS 49 2HE LYS 49 3.310 5.978 4.481 385 HE3 LYS 49 3HE LYS 49 3.745 7.093 3.187 386 HZ1 LYS 49 3HZ LYS 49 3.949 8.837 4.956 387 HZ2 LYS 49 1HZ LYS 49 5.105 7.598 5.032 388 HZ3 LYS 49 2HZ LYS 49 3.801 7.601 6.110 389 H THR 50 H THR 50 -2.099 6.423 6.910 390 HA THR 50 HA THR 50 -0.743 3.968 7.232 391 HB THR 50 HB THR 50 -3.264 4.820 8.666 392 HG1 THR 50 HG1 THR 50 -0.571 5.671 8.900 393 HG21 THR 50 3HG2 THR 50 -2.344 3.509 10.516 394 HG22 THR 50 1HG2 THR 50 -0.944 3.082 9.530 395 HG23 THR 50 2HG2 THR 50 -2.550 2.508 9.081 396 H GLU 51 H GLU 51 -3.963 4.769 6.025 397 HA GLU 51 HA GLU 51 -5.025 2.158 6.061 398 HB2 GLU 51 2HB GLU 51 -5.734 4.544 4.358 399 HB3 GLU 51 3HB GLU 51 -6.658 3.049 4.382 400 HG2 GLU 51 2HG GLU 51 -7.161 3.364 6.731 401 HG3 GLU 51 3HG GLU 51 -6.166 4.819 6.765 402 H LEU 52 H LEU 52 -3.295 3.973 3.556 403 HA LEU 52 HA LEU 52 -3.554 2.043 1.519 404 HB2 LEU 52 2HB LEU 52 -1.311 4.020 1.937 405 HB3 LEU 52 3HB LEU 52 -1.685 3.189 0.439 406 HG LEU 52 HG LEU 52 -3.396 5.262 1.816 407 HD11 LEU 52 1HD1 LEU 52 -1.446 6.175 0.674 408 HD12 LEU 52 2HD1 LEU 52 -2.936 6.602 -0.167 409 HD13 LEU 52 3HD1 LEU 52 -1.901 5.321 -0.801 410 HD21 LEU 52 3HD2 LEU 52 -4.792 3.551 0.775 411 HD22 LEU 52 1HD2 LEU 52 -3.909 3.742 -0.740 412 HD23 LEU 52 2HD2 LEU 52 -4.881 5.072 -0.113 413 H ILE 53 H ILE 53 -1.093 2.554 3.999 414 HA ILE 53 HA ILE 53 0.668 0.493 3.269 415 HB ILE 53 HB ILE 53 0.058 1.577 6.027 416 HG12 ILE 53 2HG1 ILE 53 2.252 2.302 4.067 417 HG13 ILE 53 3HG1 ILE 53 0.828 3.280 4.402 418 HG21 ILE 53 1HG2 ILE 53 2.421 -0.033 5.061 419 HG22 ILE 53 2HG2 ILE 53 1.167 -0.575 6.178 420 HG23 ILE 53 3HG2 ILE 53 2.269 0.718 6.651 421 HD11 ILE 53 3HD1 ILE 53 1.567 3.530 6.724 422 HD12 ILE 53 1HD1 ILE 53 2.754 4.142 5.572 423 HD13 ILE 53 2HD1 ILE 53 3.008 2.582 6.353 424 H GLU 54 H GLU 54 -2.073 0.529 5.514 425 HA GLU 54 HA GLU 54 -1.854 -2.107 6.414 426 HB2 GLU 54 2HB GLU 54 -3.391 0.044 7.029 427 HB3 GLU 54 3HB GLU 54 -4.567 -0.977 6.212 428 HG2 GLU 54 2HG GLU 54 -4.697 -1.456 8.512 429 HG3 GLU 54 3HG GLU 54 -3.889 -2.820 7.743 430 H ARG 55 H ARG 55 -3.632 -0.693 3.717 431 HA ARG 55 HA ARG 55 -5.066 -2.985 2.941 432 HB2 ARG 55 2HB ARG 55 -5.555 -0.683 2.175 433 HB3 ARG 55 3HB ARG 55 -4.089 -0.710 1.207 434 HG2 ARG 55 2HG ARG 55 -4.968 -2.393 -0.220 435 HG3 ARG 55 3HG ARG 55 -6.356 -2.649 0.844 436 HD2 ARG 55 2HD ARG 55 -5.728 -0.132 -0.692 437 HD3 ARG 55 3HD ARG 55 -6.983 -1.308 -1.089 438 HE ARG 55 HE ARG 55 -7.782 -0.680 1.321 439 HH11 ARG 55 1HH1 ARG 55 -6.512 1.476 -1.142 440 HH12 ARG 55 2HH1 ARG 55 -7.369 2.867 -0.535 441 HH21 ARG 55 1HH2 ARG 55 -8.901 1.165 2.107 442 HH22 ARG 55 2HH2 ARG 55 -8.716 2.689 1.286 443 H LEU 56 H LEU 56 -1.900 -1.747 1.943 444 HA LEU 56 HA LEU 56 -1.264 -3.778 0.107 445 HB2 LEU 56 2HB LEU 56 0.426 -2.007 1.854 446 HB3 LEU 56 3HB LEU 56 1.144 -3.201 0.790 447 HG LEU 56 HG LEU 56 -0.661 -0.975 -0.159 448 HD11 LEU 56 1HD1 LEU 56 1.384 -0.057 0.801 449 HD12 LEU 56 2HD1 LEU 56 1.377 0.107 -0.956 450 HD13 LEU 56 3HD1 LEU 56 2.349 -1.150 -0.193 451 HD21 LEU 56 3HD2 LEU 56 1.161 -2.870 -1.641 452 HD22 LEU 56 1HD2 LEU 56 0.229 -1.559 -2.362 453 HD23 LEU 56 2HD2 LEU 56 -0.601 -2.929 -1.624 454 H ARG 57 H ARG 57 -0.759 -3.521 3.600 455 HA ARG 57 HA ARG 57 0.724 -5.873 3.951 456 HB2 ARG 57 2HB ARG 57 -1.140 -4.471 5.871 457 HB3 ARG 57 3HB ARG 57 -0.056 -5.779 6.321 458 HG2 ARG 57 2HG ARG 57 1.864 -4.420 5.664 459 HG3 ARG 57 3HG ARG 57 0.774 -3.104 5.220 460 HD2 ARG 57 2HD ARG 57 1.612 -2.621 7.389 461 HD3 ARG 57 3HD ARG 57 -0.064 -3.130 7.579 462 HE ARG 57 HE ARG 57 1.803 -5.288 7.885 463 HH11 ARG 57 1HH1 ARG 57 0.055 -2.720 9.496 464 HH12 ARG 57 2HH1 ARG 57 0.394 -3.312 11.093 465 HH21 ARG 57 1HH2 ARG 57 2.216 -6.112 10.004 466 HH22 ARG 57 2HH2 ARG 57 1.601 -5.245 11.381 467 H ALA 58 H ALA 58 -2.785 -5.331 4.099 468 HA ALA 58 HA ALA 58 -3.519 -7.930 4.851 469 HB1 ALA 58 3HB ALA 58 -5.732 -7.377 4.001 470 HB2 ALA 58 1HB ALA 58 -5.069 -5.991 3.135 471 HB3 ALA 58 2HB ALA 58 -5.058 -6.018 4.898 472 H TYR 59 H TYR 59 -3.155 -6.476 1.640 473 HA TYR 59 HA TYR 59 -3.943 -8.706 0.136 474 HB2 TYR 59 2HB TYR 59 -3.722 -6.400 -0.746 475 HB3 TYR 59 3HB TYR 59 -1.971 -6.544 -0.635 476 HD1 TYR 59 HD2 TYR 59 -4.971 -7.918 -2.324 477 HD2 TYR 59 HD1 TYR 59 -0.729 -7.566 -2.372 478 HE1 TYR 59 HE2 TYR 59 -4.924 -8.850 -4.597 479 HE2 TYR 59 HE1 TYR 59 -0.673 -8.503 -4.646 480 HH TYR 59 HH TYR 59 -3.398 -8.771 -6.582 481 H GLN 60 H GLN 60 -0.760 -7.688 1.282 482 HA GLN 60 HA GLN 60 0.667 -9.783 -0.021 483 HB2 GLN 60 2HB GLN 60 1.816 -7.750 0.503 484 HB3 GLN 60 3HB GLN 60 1.397 -7.875 2.205 485 HG2 GLN 60 2HG GLN 60 3.020 -10.048 0.986 486 HG3 GLN 60 3HG GLN 60 3.795 -8.500 1.315 487 HE21 GLN 60 1HE2 GLN 60 4.217 -11.153 2.528 488 HE22 GLN 60 2HE2 GLN 60 3.964 -10.932 4.227 489 H ASP 61 H ASP 61 -0.629 -9.353 3.231 490 HA ASP 61 HA ASP 61 0.686 -11.552 4.409 491 HB2 ASP 61 2HB ASP 61 -0.312 -9.683 5.681 492 HB3 ASP 61 3HB ASP 61 -1.917 -10.255 5.235 493 H GLN 62 H GLN 62 -2.449 -11.262 2.803 494 HA GLN 62 HA GLN 62 -3.251 -13.906 3.607 495 HB2 GLN 62 2HB GLN 62 -5.265 -13.512 2.307 496 HB3 GLN 62 3HB GLN 62 -4.915 -12.131 3.333 497 HG2 GLN 62 2HG GLN 62 -3.956 -10.964 1.387 498 HG3 GLN 62 3HG GLN 62 -4.401 -12.338 0.375 499 HE21 GLN 62 1HE2 GLN 62 -5.787 -11.108 -0.898 500 HE22 GLN 62 2HE2 GLN 62 -7.322 -10.552 -0.318 501 H ILE 63 H ILE 63 -1.017 -12.982 1.428 502 HA ILE 63 HA ILE 63 -1.645 -14.694 -0.773 503 HB ILE 63 HB ILE 63 1.008 -13.548 0.118 504 HG12 ILE 63 2HG1 ILE 63 -0.890 -12.751 -2.103 505 HG13 ILE 63 3HG1 ILE 63 -0.649 -11.878 -0.593 506 HG21 ILE 63 1HG2 ILE 63 1.392 -15.568 -1.167 507 HG22 ILE 63 2HG2 ILE 63 1.820 -14.155 -2.130 508 HG23 ILE 63 3HG2 ILE 63 0.302 -15.001 -2.432 509 HD11 ILE 63 3HD1 ILE 63 0.538 -10.810 -2.412 510 HD12 ILE 63 1HD1 ILE 63 1.413 -12.304 -2.744 511 HD13 ILE 63 2HD1 ILE 63 1.676 -11.448 -1.225 512 H SER 64 H SER 64 0.095 -15.045 2.252 513 HA SER 64 HA SER 64 0.947 -17.742 1.622 514 HB2 SER 64 2HB SER 64 2.376 -16.182 2.960 515 HB3 SER 64 3HB SER 64 1.158 -16.216 4.231 516 HG SER 64 HG SER 64 1.530 -18.441 4.461 517 HA PRO 65 HA PRO 65 -2.933 -19.347 3.172 518 HB2 PRO 65 2HB PRO 65 -2.356 -21.970 2.846 519 HB3 PRO 65 3HB PRO 65 -2.779 -20.912 1.496 520 HG2 PRO 65 2HG PRO 65 -0.082 -21.826 2.412 521 HG3 PRO 65 3HG PRO 65 -0.716 -21.688 0.763 522 HD2 PRO 65 2HD PRO 65 0.923 -19.828 1.877 523 HD3 PRO 65 3HD PRO 65 -0.302 -19.429 0.655 524 H VAL 66 H VAL 66 -3.551 -21.123 4.787 525 HA VAL 66 HA VAL 66 -1.939 -20.696 7.157 526 HB VAL 66 HB VAL 66 -3.834 -21.838 8.345 527 HG11 VAL 66 1HG1 VAL 66 -4.538 -19.455 6.629 528 HG12 VAL 66 2HG1 VAL 66 -3.696 -19.412 8.178 529 HG13 VAL 66 3HG1 VAL 66 -5.375 -19.948 8.103 530 HG21 VAL 66 3HG2 VAL 66 -5.112 -21.742 5.611 531 HG22 VAL 66 1HG2 VAL 66 -5.940 -22.139 7.117 532 HG23 VAL 66 2HG2 VAL 66 -4.668 -23.196 6.504 533 HA PRO 67 HA PRO 67 0.297 -24.464 6.944 534 HB2 PRO 67 2HB PRO 67 0.253 -24.413 9.905 535 HB3 PRO 67 3HB PRO 67 1.631 -24.407 8.799 536 HG2 PRO 67 2HG PRO 67 0.937 -22.202 10.130 537 HG3 PRO 67 3HG PRO 67 1.515 -22.121 8.454 538 HD2 PRO 67 2HD PRO 67 -1.290 -21.954 9.499 539 HD3 PRO 67 3HD PRO 67 -0.508 -21.006 8.216 540 H GLY 68 H GLY 68 -2.235 -24.332 9.461 541 HA2 GLY 68 2HA GLY 68 -2.475 -27.179 9.617 542 HA3 GLY 68 3HA GLY 68 -3.586 -26.003 10.305 543 H ALA 69 H ALA 69 -4.598 -24.673 8.305 544 HA ALA 69 HA ALA 69 -6.019 -24.608 6.551 545 HB1 ALA 69 3HB ALA 69 -5.650 -26.043 4.648 546 HB2 ALA 69 1HB ALA 69 -4.666 -27.133 5.623 547 HB3 ALA 69 2HB ALA 69 -4.103 -25.495 5.295 548 HA PRO 70 HA PRO 70 -9.359 -27.245 8.008 549 HB2 PRO 70 2HB PRO 70 -10.982 -25.541 6.260 550 HB3 PRO 70 3HB PRO 70 -11.091 -25.768 8.006 551 HG2 PRO 70 2HG PRO 70 -10.217 -23.466 6.889 552 HG3 PRO 70 3HG PRO 70 -9.622 -24.060 8.452 553 HD2 PRO 70 2HD PRO 70 -8.336 -24.198 5.752 554 HD3 PRO 70 3HD PRO 70 -7.602 -23.866 7.335 555 H LYS 71 H LYS 71 -10.685 -28.802 6.929 556 HA LYS 71 HA LYS 71 -9.574 -29.694 4.450 557 HB2 LYS 71 2HB LYS 71 -10.645 -31.039 6.471 558 HB3 LYS 71 3HB LYS 71 -12.114 -30.849 5.526 559 HG2 LYS 71 2HG LYS 71 -9.558 -32.097 4.525 560 HG3 LYS 71 3HG LYS 71 -10.966 -32.988 5.104 561 HD2 LYS 71 2HD LYS 71 -12.317 -32.042 3.309 562 HD3 LYS 71 3HD LYS 71 -10.934 -31.102 2.745 563 HE2 LYS 71 2HE LYS 71 -9.714 -33.184 2.297 564 HE3 LYS 71 3HE LYS 71 -11.112 -34.112 2.840 565 HZ1 LYS 71 3HZ LYS 71 -11.059 -33.959 0.437 566 HZ2 LYS 71 1HZ LYS 71 -11.042 -32.267 0.510 567 HZ3 LYS 71 2HZ LYS 71 -12.407 -33.125 1.038 568 H ALA 72 H ALA 72 -9.997 -27.971 3.062 569 HA ALA 72 HA ALA 72 -12.537 -28.111 1.700 570 HB1 ALA 72 3HB ALA 72 -13.032 -26.446 3.427 571 HB2 ALA 72 1HB ALA 72 -12.971 -25.696 1.832 572 HB3 ALA 72 2HB ALA 72 -11.616 -25.513 2.943 573 HA PRO 73 HA PRO 73 -9.937 -27.505 -1.804 574 HB2 PRO 73 2HB PRO 73 -11.978 -25.614 -2.851 575 HB3 PRO 73 3HB PRO 73 -11.307 -27.070 -3.593 576 HG2 PRO 73 2HG PRO 73 -13.772 -27.070 -2.582 577 HG3 PRO 73 3HG PRO 73 -12.716 -28.484 -2.405 578 HD2 PRO 73 2HD PRO 73 -13.432 -26.388 -0.400 579 HD3 PRO 73 3HD PRO 73 -13.205 -28.135 -0.175 580 H ALA 74 H ALA 74 -8.196 -26.365 -1.059 581 HA ALA 74 HA ALA 74 -8.419 -23.438 -1.008 582 HB1 ALA 74 3HB ALA 74 -6.265 -25.204 0.148 583 HB2 ALA 74 1HB ALA 74 -7.579 -24.448 1.052 584 HB3 ALA 74 2HB ALA 74 -6.346 -23.446 0.282 585 H ALA 75 H ALA 75 -8.407 -23.394 -3.323 586 HA ALA 75 HA ALA 75 -5.689 -23.632 -4.420 587 HB1 ALA 75 3HB ALA 75 -6.663 -24.206 -6.587 588 HB2 ALA 75 1HB ALA 75 -8.279 -24.157 -5.885 589 HB3 ALA 75 2HB ALA 75 -7.126 -25.383 -5.359 Start of MODEL 10 1 H1 MET 1 1H MET 1 -10.696 13.178 -28.069 2 H2 MET 1 2H MET 1 -11.597 13.933 -26.851 3 H3 MET 1 3H MET 1 -10.918 12.407 -26.569 4 HA MET 1 HA MET 1 -8.687 13.388 -26.832 5 HB2 MET 1 2HB MET 1 -10.298 15.950 -26.855 6 HB3 MET 1 3HB MET 1 -8.563 15.880 -26.586 7 HG2 MET 1 2HG MET 1 -8.301 14.859 -28.815 8 HG3 MET 1 3HG MET 1 -10.032 15.055 -29.075 9 HE1 MET 1 3HE MET 1 -11.252 17.396 -29.205 10 HE2 MET 1 1HE MET 1 -10.430 18.951 -29.080 11 HE3 MET 1 2HE MET 1 -10.559 17.905 -27.666 12 H GLY 2 H GLY 2 -7.735 13.222 -24.913 13 HA2 GLY 2 2HA GLY 2 -9.093 14.296 -22.540 14 HA3 GLY 2 3HA GLY 2 -8.707 12.581 -22.575 15 H HIS 3 H HIS 3 -6.616 11.901 -22.297 16 HA HIS 3 HA HIS 3 -4.834 13.909 -21.154 17 HB2 HIS 3 2HB HIS 3 -4.608 10.891 -21.245 18 HB3 HIS 3 3HB HIS 3 -3.496 11.966 -20.405 19 HD1 HIS 3 HD1 HIS 3 -5.676 9.680 -19.327 20 HD2 HIS 3 HD2 HIS 3 -5.687 13.814 -18.818 21 HE1 HIS 3 HE1 HIS 3 -7.070 10.112 -17.280 22 HE2 HIS 3 HE2 HIS 3 -7.180 12.621 -17.070 23 H HIS 4 H HIS 4 -3.479 14.914 -22.448 24 HA HIS 4 HA HIS 4 -2.612 13.623 -24.927 25 HB2 HIS 4 2HB HIS 4 -2.352 16.479 -23.967 26 HB3 HIS 4 3HB HIS 4 -1.712 15.890 -25.497 27 HD1 HIS 4 HD1 HIS 4 -3.288 15.809 -27.447 28 HD2 HIS 4 HD2 HIS 4 -5.240 16.451 -23.832 29 HE1 HIS 4 HE1 HIS 4 -5.672 16.350 -28.047 30 HE2 HIS 4 HE2 HIS 4 -6.766 16.956 -25.860 31 H HIS 5 H HIS 5 -1.325 15.110 -22.011 32 HA HIS 5 HA HIS 5 1.404 14.445 -22.733 33 HB2 HIS 5 2HB HIS 5 0.880 16.547 -21.527 34 HB3 HIS 5 3HB HIS 5 0.293 15.605 -20.163 35 HD1 HIS 5 HD1 HIS 5 1.941 15.746 -18.344 36 HD2 HIS 5 HD2 HIS 5 3.782 15.461 -22.068 37 HE1 HIS 5 HE1 HIS 5 4.416 15.712 -17.882 38 HE2 HIS 5 HE2 HIS 5 5.509 15.435 -20.139 39 H HIS 6 H HIS 6 1.310 12.197 -22.874 40 HA HIS 6 HA HIS 6 0.467 10.646 -20.579 41 HB2 HIS 6 2HB HIS 6 -0.071 9.742 -22.745 42 HB3 HIS 6 3HB HIS 6 1.607 9.847 -23.265 43 HD1 HIS 6 HD1 HIS 6 2.623 7.607 -23.369 44 HD2 HIS 6 HD2 HIS 6 -0.098 7.915 -20.232 45 HE1 HIS 6 HE1 HIS 6 2.641 5.362 -22.226 46 HE2 HIS 6 HE2 HIS 6 1.148 5.641 -20.214 47 H HIS 7 H HIS 7 3.515 10.776 -22.467 48 HA HIS 7 HA HIS 7 4.930 9.535 -20.297 49 HB2 HIS 7 2HB HIS 7 6.878 9.600 -21.663 50 HB3 HIS 7 3HB HIS 7 5.534 9.229 -22.728 51 HD1 HIS 7 HD1 HIS 7 4.867 11.045 -24.473 52 HD2 HIS 7 HD2 HIS 7 8.209 11.993 -22.187 53 HE1 HIS 7 HE1 HIS 7 5.993 12.942 -25.674 54 HE2 HIS 7 HE2 HIS 7 8.117 13.357 -24.387 55 H HIS 8 H HIS 8 6.413 10.443 -18.910 56 HA HIS 8 HA HIS 8 6.153 13.369 -18.642 57 HB2 HIS 8 2HB HIS 8 6.786 11.364 -16.465 58 HB3 HIS 8 3HB HIS 8 6.466 13.081 -16.252 59 HD1 HIS 8 HD1 HIS 8 4.849 9.840 -16.211 60 HD2 HIS 8 HD2 HIS 8 3.671 13.765 -16.938 61 HE1 HIS 8 HE1 HIS 8 2.342 9.854 -15.988 62 HE2 HIS 8 HE2 HIS 8 1.641 12.194 -16.612 63 H SER 9 H SER 9 8.047 14.439 -17.612 64 HA SER 9 HA SER 9 10.572 13.121 -18.370 65 HB2 SER 9 2HB SER 9 9.933 16.083 -18.469 66 HB3 SER 9 3HB SER 9 11.446 15.325 -18.971 67 HG SER 9 HG SER 9 10.522 14.600 -20.763 68 H HIS 10 H HIS 10 9.090 13.179 -15.814 69 HA HIS 10 HA HIS 10 11.061 14.586 -14.137 70 HB2 HIS 10 2HB HIS 10 8.893 15.696 -14.014 71 HB3 HIS 10 3HB HIS 10 8.106 14.170 -13.633 72 HD1 HIS 10 HD1 HIS 10 7.535 14.005 -11.249 73 HD2 HIS 10 HD2 HIS 10 10.985 16.247 -11.846 74 HE1 HIS 10 HE1 HIS 10 8.273 14.735 -8.959 75 HE2 HIS 10 HE2 HIS 10 10.172 16.332 -9.390 76 H MET 11 H MET 11 12.400 12.958 -13.573 77 HA MET 11 HA MET 11 13.177 10.996 -12.698 78 HB2 MET 11 2HB MET 11 10.708 11.424 -11.012 79 HB3 MET 11 3HB MET 11 11.877 10.150 -10.688 80 HG2 MET 11 2HG MET 11 12.495 13.095 -10.744 81 HG3 MET 11 3HG MET 11 12.204 12.141 -9.291 82 HE1 MET 11 3HE MET 11 13.814 10.190 -8.447 83 HE2 MET 11 1HE MET 11 15.237 9.652 -9.339 84 HE3 MET 11 2HE MET 11 13.626 9.398 -10.011 85 H SER 12 H SER 12 11.478 10.770 -15.031 86 HA SER 12 HA SER 12 9.800 8.451 -14.475 87 HB2 SER 12 2HB SER 12 9.983 10.120 -16.992 88 HB3 SER 12 3HB SER 12 8.751 8.912 -16.612 89 HG SER 12 HG SER 12 8.968 10.741 -14.627 90 H THR 13 H THR 13 11.374 6.856 -14.290 91 HA THR 13 HA THR 13 12.555 6.071 -16.866 92 HB THR 13 HB THR 13 14.095 4.638 -15.323 93 HG1 THR 13 HG1 THR 13 13.731 6.757 -13.501 94 HG21 THR 13 3HG2 THR 13 14.467 7.638 -15.435 95 HG22 THR 13 1HG2 THR 13 14.834 6.523 -16.753 96 HG23 THR 13 2HG2 THR 13 15.732 6.426 -15.240 97 HA PRO 14 HA PRO 14 9.569 2.792 -16.516 98 HB2 PRO 14 2HB PRO 14 10.959 1.601 -18.808 99 HB3 PRO 14 3HB PRO 14 9.306 2.208 -18.694 100 HG2 PRO 14 2HG PRO 14 11.214 3.479 -20.116 101 HG3 PRO 14 3HG PRO 14 9.906 4.347 -19.291 102 HD2 PRO 14 2HD PRO 14 12.758 3.974 -18.460 103 HD3 PRO 14 3HD PRO 14 11.725 5.415 -18.335 104 H LEU 15 H LEU 15 10.428 1.901 -14.580 105 HA LEU 15 HA LEU 15 12.251 -0.370 -15.018 106 HB2 LEU 15 2HB LEU 15 12.874 1.498 -13.367 107 HB3 LEU 15 3HB LEU 15 11.591 0.877 -12.352 108 HG LEU 15 HG LEU 15 13.909 0.119 -11.742 109 HD11 LEU 15 1HD1 LEU 15 11.928 -1.116 -11.004 110 HD12 LEU 15 2HD1 LEU 15 13.302 -2.182 -11.298 111 HD13 LEU 15 3HD1 LEU 15 11.991 -2.087 -12.475 112 HD21 LEU 15 3HD2 LEU 15 14.907 -1.673 -13.082 113 HD22 LEU 15 1HD2 LEU 15 14.814 -0.154 -13.970 114 HD23 LEU 15 2HD2 LEU 15 13.660 -1.442 -14.306 115 H THR 16 H THR 16 10.973 -2.065 -15.459 116 HA THR 16 HA THR 16 8.501 -2.404 -13.945 117 HB THR 16 HB THR 16 8.078 -4.306 -15.526 118 HG1 THR 16 HG1 THR 16 10.304 -4.674 -16.100 119 HG21 THR 16 3HG2 THR 16 7.121 -2.117 -15.949 120 HG22 THR 16 1HG2 THR 16 7.612 -2.859 -17.471 121 HG23 THR 16 2HG2 THR 16 8.606 -1.596 -16.744 122 H GLY 17 H GLY 17 9.095 -3.088 -11.967 123 HA2 GLY 17 2HA GLY 17 10.366 -5.746 -11.845 124 HA3 GLY 17 3HA GLY 17 10.903 -4.454 -10.776 125 H LYS 18 H LYS 18 8.983 -7.102 -10.943 126 HA LYS 18 HA LYS 18 6.919 -6.050 -9.156 127 HB2 LYS 18 2HB LYS 18 7.142 -8.659 -10.661 128 HB3 LYS 18 3HB LYS 18 5.843 -8.287 -9.536 129 HG2 LYS 18 2HG LYS 18 5.034 -6.536 -10.914 130 HG3 LYS 18 3HG LYS 18 6.462 -6.605 -11.948 131 HD2 LYS 18 2HD LYS 18 4.536 -7.678 -13.009 132 HD3 LYS 18 3HD LYS 18 5.827 -8.837 -12.696 133 HE2 LYS 18 2HE LYS 18 4.627 -9.541 -10.642 134 HE3 LYS 18 3HE LYS 18 3.312 -8.449 -11.075 135 HZ1 LYS 18 3HZ LYS 18 3.010 -9.691 -13.130 136 HZ2 LYS 18 1HZ LYS 18 2.840 -10.712 -11.783 137 HZ3 LYS 18 2HZ LYS 18 4.268 -10.745 -12.703 138 HA PRO 19 HA PRO 19 9.230 -7.999 -5.869 139 HB2 PRO 19 2HB PRO 19 7.937 -6.842 -3.830 140 HB3 PRO 19 3HB PRO 19 9.051 -5.927 -4.852 141 HG2 PRO 19 2HG PRO 19 6.070 -5.976 -4.869 142 HG3 PRO 19 3HG PRO 19 7.175 -4.615 -5.123 143 HD2 PRO 19 2HD PRO 19 5.900 -6.048 -7.139 144 HD3 PRO 19 3HD PRO 19 7.337 -5.033 -7.355 145 H GLY 20 H GLY 20 8.924 -9.840 -4.700 146 HA2 GLY 20 2HA GLY 20 6.379 -11.192 -4.926 147 HA3 GLY 20 3HA GLY 20 7.836 -11.825 -4.170 148 H ALA 21 H ALA 21 8.045 -9.327 -2.547 149 HA ALA 21 HA ALA 21 5.817 -9.772 -0.669 150 HB1 ALA 21 3HB ALA 21 8.718 -9.362 0.074 151 HB2 ALA 21 1HB ALA 21 7.860 -10.903 0.133 152 HB3 ALA 21 2HB ALA 21 7.371 -9.581 1.192 153 H LEU 22 H LEU 22 6.707 -7.832 1.186 154 HA LEU 22 HA LEU 22 6.711 -5.362 -0.418 155 HB2 LEU 22 2HB LEU 22 5.343 -5.871 2.227 156 HB3 LEU 22 3HB LEU 22 5.474 -4.302 1.462 157 HG LEU 22 HG LEU 22 3.966 -6.677 0.366 158 HD11 LEU 22 1HD1 LEU 22 3.036 -4.092 1.600 159 HD12 LEU 22 2HD1 LEU 22 2.856 -5.711 2.275 160 HD13 LEU 22 3HD1 LEU 22 1.993 -5.267 0.803 161 HD21 LEU 22 3HD2 LEU 22 4.214 -3.859 -0.685 162 HD22 LEU 22 1HD2 LEU 22 3.148 -5.109 -1.325 163 HD23 LEU 22 2HD2 LEU 22 4.897 -5.308 -1.422 164 HA PRO 23 HA PRO 23 10.403 -4.257 1.822 165 HB2 PRO 23 2HB PRO 23 10.016 -1.531 1.866 166 HB3 PRO 23 3HB PRO 23 10.700 -2.421 0.503 167 HG2 PRO 23 2HG PRO 23 7.912 -1.435 0.921 168 HG3 PRO 23 3HG PRO 23 8.888 -1.447 -0.559 169 HD2 PRO 23 2HD PRO 23 6.951 -3.261 -0.119 170 HD3 PRO 23 3HD PRO 23 8.448 -3.682 -0.979 171 H ALA 24 H ALA 24 11.046 -3.158 3.820 172 HA ALA 24 HA ALA 24 8.920 -3.344 5.824 173 HB1 ALA 24 3HB ALA 24 10.738 -3.382 7.456 174 HB2 ALA 24 1HB ALA 24 11.908 -3.106 6.167 175 HB3 ALA 24 2HB ALA 24 10.982 -4.605 6.209 176 H ASN 25 H ASN 25 9.940 -1.023 3.886 177 HA ASN 25 HA ASN 25 9.774 1.077 5.941 178 HB2 ASN 25 2HB ASN 25 11.364 1.112 3.364 179 HB3 ASN 25 3HB ASN 25 11.144 2.504 4.419 180 HD21 ASN 25 1HD2 ASN 25 12.055 2.444 6.527 181 HD22 ASN 25 2HD2 ASN 25 13.412 1.411 6.873 182 H LEU 26 H LEU 26 7.491 -0.012 4.773 183 HA LEU 26 HA LEU 26 6.536 1.557 2.599 184 HB2 LEU 26 2HB LEU 26 5.021 0.131 4.792 185 HB3 LEU 26 3HB LEU 26 4.287 0.816 3.355 186 HG LEU 26 HG LEU 26 6.319 -1.418 3.340 187 HD11 LEU 26 1HD1 LEU 26 3.321 -1.496 3.045 188 HD12 LEU 26 2HD1 LEU 26 4.265 -2.161 4.380 189 HD13 LEU 26 3HD1 LEU 26 4.411 -2.854 2.764 190 HD21 LEU 26 3HD2 LEU 26 4.579 -0.278 1.152 191 HD22 LEU 26 1HD2 LEU 26 5.630 -1.688 1.006 192 HD23 LEU 26 2HD2 LEU 26 6.328 -0.094 1.294 193 H ASP 27 H ASP 27 6.756 1.974 6.022 194 HA ASP 27 HA ASP 27 4.983 4.140 6.364 195 HB2 ASP 27 2HB ASP 27 7.498 3.524 7.931 196 HB3 ASP 27 3HB ASP 27 6.157 4.529 8.464 197 H ASP 28 H ASP 28 8.238 3.886 5.206 198 HA ASP 28 HA ASP 28 8.903 6.665 5.485 199 HB2 ASP 28 2HB ASP 28 10.596 4.856 5.518 200 HB3 ASP 28 3HB ASP 28 10.224 4.493 3.838 201 H MET 29 H MET 29 7.365 4.695 3.115 202 HA MET 29 HA MET 29 7.909 6.370 0.862 203 HB2 MET 29 2HB MET 29 5.888 4.153 1.249 204 HB3 MET 29 3HB MET 29 6.244 4.928 -0.288 205 HG2 MET 29 2HG MET 29 8.506 4.117 -0.234 206 HG3 MET 29 3HG MET 29 8.270 3.456 1.380 207 HE1 MET 29 3HE MET 29 7.353 3.136 -2.431 208 HE2 MET 29 1HE MET 29 5.779 3.375 -1.671 209 HE3 MET 29 2HE MET 29 6.180 1.819 -2.400 210 H LYS 30 H LYS 30 6.206 7.426 -0.404 211 HA LYS 30 HA LYS 30 4.462 8.964 1.371 212 HB2 LYS 30 2HB LYS 30 4.898 9.491 -1.558 213 HB3 LYS 30 3HB LYS 30 4.382 10.616 -0.312 214 HG2 LYS 30 2HG LYS 30 6.604 10.563 0.672 215 HG3 LYS 30 3HG LYS 30 7.126 9.414 -0.560 216 HD2 LYS 30 2HD LYS 30 6.392 11.160 -2.264 217 HD3 LYS 30 3HD LYS 30 6.313 12.283 -0.906 218 HE2 LYS 30 2HE LYS 30 8.438 12.532 -1.938 219 HE3 LYS 30 3HE LYS 30 8.678 11.723 -0.393 220 HZ1 LYS 30 3HZ LYS 30 8.600 10.389 -3.050 221 HZ2 LYS 30 1HZ LYS 30 8.840 9.609 -1.563 222 HZ3 LYS 30 2HZ LYS 30 9.994 10.702 -2.145 223 H VAL 31 H VAL 31 2.393 9.739 0.155 224 HA VAL 31 HA VAL 31 0.689 7.516 -0.201 225 HB VAL 31 HB VAL 31 0.283 10.412 -0.993 226 HG11 VAL 31 1HG1 VAL 31 -2.096 9.911 -1.085 227 HG12 VAL 31 2HG1 VAL 31 -1.768 8.212 -0.747 228 HG13 VAL 31 3HG1 VAL 31 -1.212 8.934 -2.258 229 HG21 VAL 31 3HG2 VAL 31 0.634 10.093 1.396 230 HG22 VAL 31 1HG2 VAL 31 -0.629 8.860 1.430 231 HG23 VAL 31 2HG2 VAL 31 -1.042 10.536 1.062 232 H ALA 32 H ALA 32 2.172 9.744 -2.522 233 HA ALA 32 HA ALA 32 0.986 8.696 -4.840 234 HB1 ALA 32 3HB ALA 32 2.118 10.886 -4.720 235 HB2 ALA 32 1HB ALA 32 2.681 9.897 -6.067 236 HB3 ALA 32 2HB ALA 32 3.669 10.051 -4.615 237 H GLU 33 H GLU 33 3.921 7.819 -3.112 238 HA GLU 33 HA GLU 33 4.966 6.055 -5.060 239 HB2 GLU 33 2HB GLU 33 5.419 5.660 -2.117 240 HB3 GLU 33 3HB GLU 33 6.536 5.405 -3.446 241 HG2 GLU 33 2HG GLU 33 5.622 8.057 -2.365 242 HG3 GLU 33 3HG GLU 33 7.194 7.305 -2.115 243 H LEU 34 H LEU 34 2.914 5.591 -2.216 244 HA LEU 34 HA LEU 34 2.790 2.772 -2.365 245 HB2 LEU 34 2HB LEU 34 0.878 4.739 -1.106 246 HB3 LEU 34 3HB LEU 34 0.833 3.005 -0.859 247 HG LEU 34 HG LEU 34 3.133 4.800 -0.079 248 HD11 LEU 34 1HD1 LEU 34 1.155 5.233 1.277 249 HD12 LEU 34 2HD1 LEU 34 2.398 4.405 2.217 250 HD13 LEU 34 3HD1 LEU 34 1.001 3.509 1.621 251 HD21 LEU 34 3HD2 LEU 34 3.847 2.534 -0.602 252 HD22 LEU 34 1HD2 LEU 34 2.607 1.881 0.470 253 HD23 LEU 34 2HD2 LEU 34 3.938 2.830 1.135 254 H LYS 35 H LYS 35 0.976 5.312 -3.932 255 HA LYS 35 HA LYS 35 -1.277 3.866 -4.729 256 HB2 LYS 35 2HB LYS 35 0.139 6.211 -5.967 257 HB3 LYS 35 3HB LYS 35 -1.291 5.506 -6.704 258 HG2 LYS 35 2HG LYS 35 -2.518 5.922 -4.589 259 HG3 LYS 35 3HG LYS 35 -1.089 6.759 -3.981 260 HD2 LYS 35 2HD LYS 35 -1.239 8.411 -5.713 261 HD3 LYS 35 3HD LYS 35 -2.523 7.513 -6.522 262 HE2 LYS 35 2HE LYS 35 -3.988 7.876 -4.599 263 HE3 LYS 35 3HE LYS 35 -2.704 8.778 -3.793 264 HZ1 LYS 35 3HZ LYS 35 -2.771 10.417 -5.542 265 HZ2 LYS 35 1HZ LYS 35 -4.323 10.232 -4.881 266 HZ3 LYS 35 2HZ LYS 35 -3.950 9.538 -6.383 267 H GLN 36 H GLN 36 1.956 3.962 -6.087 268 HA GLN 36 HA GLN 36 1.322 2.649 -8.515 269 HB2 GLN 36 2HB GLN 36 3.893 2.981 -6.984 270 HB3 GLN 36 3HB GLN 36 3.815 2.083 -8.495 271 HG2 GLN 36 2HG GLN 36 2.997 4.959 -8.149 272 HG3 GLN 36 3HG GLN 36 4.543 4.412 -8.794 273 HE21 GLN 36 1HE2 GLN 36 3.406 2.174 -10.237 274 HE22 GLN 36 2HE2 GLN 36 2.588 2.839 -11.613 275 H GLU 37 H GLU 37 2.419 1.452 -5.367 276 HA GLU 37 HA GLU 37 2.532 -1.272 -6.129 277 HB2 GLU 37 2HB GLU 37 2.139 -0.015 -3.407 278 HB3 GLU 37 3HB GLU 37 2.490 -1.716 -3.685 279 HG2 GLU 37 2HG GLU 37 4.276 0.600 -4.408 280 HG3 GLU 37 3HG GLU 37 4.484 -0.491 -3.037 281 H LEU 38 H LEU 38 -0.025 0.811 -4.997 282 HA LEU 38 HA LEU 38 -1.912 -1.245 -4.451 283 HB2 LEU 38 2HB LEU 38 -2.251 1.699 -5.002 284 HB3 LEU 38 3HB LEU 38 -3.574 0.639 -4.556 285 HG LEU 38 HG LEU 38 -1.149 1.043 -2.810 286 HD11 LEU 38 1HD1 LEU 38 -3.804 2.464 -2.699 287 HD12 LEU 38 2HD1 LEU 38 -2.260 3.187 -3.151 288 HD13 LEU 38 3HD1 LEU 38 -2.509 2.590 -1.509 289 HD21 LEU 38 3HD2 LEU 38 -2.610 0.164 -1.065 290 HD22 LEU 38 1HD2 LEU 38 -2.450 -0.987 -2.392 291 HD23 LEU 38 2HD2 LEU 38 -3.916 -0.020 -2.237 292 H LYS 39 H LYS 39 -1.514 0.986 -7.216 293 HA LYS 39 HA LYS 39 -3.744 0.063 -8.649 294 HB2 LYS 39 2HB LYS 39 -2.799 1.201 -10.585 295 HB3 LYS 39 3HB LYS 39 -2.637 2.198 -9.146 296 HG2 LYS 39 2HG LYS 39 -0.295 1.588 -8.958 297 HG3 LYS 39 3HG LYS 39 -0.446 0.515 -10.348 298 HD2 LYS 39 2HD LYS 39 0.573 2.602 -11.029 299 HD3 LYS 39 3HD LYS 39 -1.027 2.453 -11.753 300 HE2 LYS 39 2HE LYS 39 -1.964 3.969 -10.151 301 HE3 LYS 39 3HE LYS 39 -0.459 4.003 -9.233 302 HZ1 LYS 39 3HZ LYS 39 -0.793 5.967 -10.662 303 HZ2 LYS 39 1HZ LYS 39 -0.732 4.969 -12.033 304 HZ3 LYS 39 2HZ LYS 39 0.630 5.120 -11.032 305 H LEU 40 H LEU 40 -0.463 -1.149 -8.493 306 HA LEU 40 HA LEU 40 -0.695 -2.808 -10.818 307 HB2 LEU 40 2HB LEU 40 1.295 -2.799 -8.556 308 HB3 LEU 40 3HB LEU 40 1.427 -3.822 -9.973 309 HG LEU 40 HG LEU 40 1.487 -0.801 -9.972 310 HD11 LEU 40 1HD1 LEU 40 3.673 -2.826 -10.435 311 HD12 LEU 40 2HD1 LEU 40 3.506 -1.776 -9.028 312 HD13 LEU 40 3HD1 LEU 40 3.830 -1.079 -10.615 313 HD21 LEU 40 3HD2 LEU 40 1.830 -2.780 -12.223 314 HD22 LEU 40 1HD2 LEU 40 2.097 -1.041 -12.338 315 HD23 LEU 40 2HD2 LEU 40 0.482 -1.664 -12.009 316 H ARG 41 H ARG 41 -1.863 -3.059 -7.672 317 HA ARG 41 HA ARG 41 -2.096 -5.986 -7.919 318 HB2 ARG 41 2HB ARG 41 -2.077 -4.337 -5.382 319 HB3 ARG 41 3HB ARG 41 -2.178 -6.091 -5.478 320 HG2 ARG 41 2HG ARG 41 0.047 -6.163 -6.489 321 HG3 ARG 41 3HG ARG 41 0.150 -4.405 -6.380 322 HD2 ARG 41 2HD ARG 41 -0.135 -4.610 -3.915 323 HD3 ARG 41 3HD ARG 41 -0.047 -6.363 -4.097 324 HE ARG 41 HE ARG 41 2.142 -4.512 -4.788 325 HH11 ARG 41 1HH1 ARG 41 1.005 -7.607 -3.624 326 HH12 ARG 41 2HH1 ARG 41 2.598 -8.230 -3.312 327 HH21 ARG 41 1HH2 ARG 41 4.240 -5.302 -4.354 328 HH22 ARG 41 2HH2 ARG 41 4.437 -6.906 -3.723 329 H SER 42 H SER 42 -3.787 -3.528 -8.714 330 HA SER 42 HA SER 42 -5.986 -3.104 -9.060 331 HB2 SER 42 2HB SER 42 -6.019 -5.605 -9.464 332 HB3 SER 42 3HB SER 42 -6.566 -5.790 -7.799 333 HG SER 42 HG SER 42 -8.474 -4.943 -8.294 334 H LEU 43 H LEU 43 -4.633 -2.452 -6.529 335 HA LEU 43 HA LEU 43 -6.774 -2.600 -4.555 336 HB2 LEU 43 2HB LEU 43 -3.885 -1.784 -4.444 337 HB3 LEU 43 3HB LEU 43 -4.980 -1.471 -3.112 338 HG LEU 43 HG LEU 43 -4.552 -4.246 -4.200 339 HD11 LEU 43 1HD1 LEU 43 -2.970 -4.590 -2.359 340 HD12 LEU 43 2HD1 LEU 43 -3.075 -2.877 -1.952 341 HD13 LEU 43 3HD1 LEU 43 -2.382 -3.374 -3.496 342 HD21 LEU 43 3HD2 LEU 43 -5.588 -3.148 -1.592 343 HD22 LEU 43 1HD2 LEU 43 -5.362 -4.861 -1.955 344 HD23 LEU 43 2HD2 LEU 43 -6.545 -3.917 -2.860 345 HA PRO 44 HA PRO 44 -8.202 1.550 -5.219 346 HB2 PRO 44 2HB PRO 44 -9.002 2.108 -2.653 347 HB3 PRO 44 3HB PRO 44 -9.951 1.168 -3.808 348 HG2 PRO 44 2HG PRO 44 -8.203 0.224 -1.577 349 HG3 PRO 44 3HG PRO 44 -9.773 -0.400 -2.118 350 HD2 PRO 44 2HD PRO 44 -7.444 -1.613 -2.743 351 HD3 PRO 44 3HD PRO 44 -8.838 -1.611 -3.843 352 H VAL 45 H VAL 45 -7.117 3.393 -5.335 353 HA VAL 45 HA VAL 45 -4.729 3.710 -3.685 354 HB VAL 45 HB VAL 45 -4.108 5.487 -5.287 355 HG11 VAL 45 1HG1 VAL 45 -4.873 2.851 -6.534 356 HG12 VAL 45 2HG1 VAL 45 -3.365 3.217 -5.696 357 HG13 VAL 45 3HG1 VAL 45 -3.740 4.012 -7.226 358 HG21 VAL 45 3HG2 VAL 45 -6.327 6.260 -5.911 359 HG22 VAL 45 1HG2 VAL 45 -6.666 4.711 -6.686 360 HG23 VAL 45 2HG2 VAL 45 -5.421 5.774 -7.346 361 H SER 46 H SER 46 -7.838 4.571 -3.399 362 HA SER 46 HA SER 46 -7.356 7.276 -2.423 363 HB2 SER 46 2HB SER 46 -9.928 7.158 -2.114 364 HB3 SER 46 3HB SER 46 -9.283 7.235 -3.755 365 HG SER 46 HG SER 46 -10.768 5.291 -2.583 366 H GLY 47 H GLY 47 -7.400 7.827 -0.321 367 HA2 GLY 47 2HA GLY 47 -8.619 7.133 1.850 368 HA3 GLY 47 3HA GLY 47 -7.700 5.651 1.627 369 H THR 48 H THR 48 -7.233 6.761 3.928 370 HA THR 48 HA THR 48 -5.183 8.758 3.910 371 HB THR 48 HB THR 48 -4.885 8.128 6.307 372 HG1 THR 48 HG1 THR 48 -7.044 6.311 5.859 373 HG21 THR 48 3HG2 THR 48 -7.737 8.542 5.395 374 HG22 THR 48 1HG2 THR 48 -6.546 9.802 5.726 375 HG23 THR 48 2HG2 THR 48 -7.153 8.795 7.041 376 H LYS 49 H LYS 49 -2.972 8.395 4.697 377 HA LYS 49 HA LYS 49 -1.555 6.464 3.282 378 HB2 LYS 49 2HB LYS 49 -0.558 8.530 4.198 379 HB3 LYS 49 3HB LYS 49 -0.718 7.875 5.823 380 HG2 LYS 49 2HG LYS 49 0.783 6.017 5.173 381 HG3 LYS 49 3HG LYS 49 1.010 6.797 3.608 382 HD2 LYS 49 2HD LYS 49 1.929 8.770 4.715 383 HD3 LYS 49 3HD LYS 49 1.677 8.009 6.288 384 HE2 LYS 49 2HE LYS 49 3.208 6.193 5.617 385 HE3 LYS 49 3HE LYS 49 3.494 7.027 4.090 386 HZ1 LYS 49 3HZ LYS 49 5.243 7.479 5.685 387 HZ2 LYS 49 1HZ LYS 49 4.114 8.093 6.792 388 HZ3 LYS 49 2HZ LYS 49 4.390 8.900 5.324 389 H THR 50 H THR 50 -2.760 6.450 6.596 390 HA THR 50 HA THR 50 -1.636 4.076 7.515 391 HB THR 50 HB THR 50 -4.420 5.094 8.145 392 HG1 THR 50 HG1 THR 50 -2.825 6.707 8.501 393 HG21 THR 50 3HG2 THR 50 -4.059 3.960 10.306 394 HG22 THR 50 1HG2 THR 50 -2.518 3.345 9.716 395 HG23 THR 50 2HG2 THR 50 -4.023 2.826 8.957 396 H GLU 51 H GLU 51 -4.724 4.594 5.826 397 HA GLU 51 HA GLU 51 -5.524 1.925 5.636 398 HB2 GLU 51 2HB GLU 51 -6.031 4.273 3.811 399 HB3 GLU 51 3HB GLU 51 -6.802 2.710 3.602 400 HG2 GLU 51 2HG GLU 51 -7.955 2.909 5.660 401 HG3 GLU 51 3HG GLU 51 -7.014 4.329 6.120 402 H LEU 52 H LEU 52 -3.609 3.903 3.394 403 HA LEU 52 HA LEU 52 -3.397 2.052 1.326 404 HB2 LEU 52 2HB LEU 52 -1.280 4.036 2.142 405 HB3 LEU 52 3HB LEU 52 -1.494 3.325 0.556 406 HG LEU 52 HG LEU 52 -3.340 5.293 1.911 407 HD11 LEU 52 1HD1 LEU 52 -1.619 5.528 -0.551 408 HD12 LEU 52 2HD1 LEU 52 -1.294 6.271 1.016 409 HD13 LEU 52 3HD1 LEU 52 -2.705 6.766 0.081 410 HD21 LEU 52 3HD2 LEU 52 -3.610 3.951 -0.775 411 HD22 LEU 52 1HD2 LEU 52 -4.631 5.253 -0.164 412 HD23 LEU 52 2HD2 LEU 52 -4.638 3.678 0.632 413 H ILE 53 H ILE 53 -1.119 2.628 4.013 414 HA ILE 53 HA ILE 53 0.733 0.638 3.273 415 HB ILE 53 HB ILE 53 0.158 1.727 6.036 416 HG12 ILE 53 2HG1 ILE 53 2.220 2.587 3.993 417 HG13 ILE 53 3HG1 ILE 53 0.742 3.468 4.371 418 HG21 ILE 53 1HG2 ILE 53 2.581 0.280 4.969 419 HG22 ILE 53 2HG2 ILE 53 1.415 -0.351 6.133 420 HG23 ILE 53 3HG2 ILE 53 2.446 1.015 6.567 421 HD11 ILE 53 3HD1 ILE 53 1.540 3.768 6.674 422 HD12 ILE 53 1HD1 ILE 53 2.631 4.474 5.483 423 HD13 ILE 53 2HD1 ILE 53 3.035 2.936 6.247 424 H GLU 54 H GLU 54 -1.917 0.567 5.648 425 HA GLU 54 HA GLU 54 -1.443 -2.099 6.468 426 HB2 GLU 54 2HB GLU 54 -3.872 -0.331 6.714 427 HB3 GLU 54 3HB GLU 54 -3.748 -1.922 7.455 428 HG2 GLU 54 2HG GLU 54 -1.949 0.429 8.004 429 HG3 GLU 54 3HG GLU 54 -3.242 -0.163 9.049 430 H ARG 55 H ARG 55 -3.433 -0.702 3.950 431 HA ARG 55 HA ARG 55 -4.918 -3.031 3.318 432 HB2 ARG 55 2HB ARG 55 -5.491 -0.698 2.627 433 HB3 ARG 55 3HB ARG 55 -4.151 -0.747 1.496 434 HG2 ARG 55 2HG ARG 55 -5.208 -2.417 0.181 435 HG3 ARG 55 3HG ARG 55 -6.457 -2.670 1.406 436 HD2 ARG 55 2HD ARG 55 -6.007 -0.118 -0.149 437 HD3 ARG 55 3HD ARG 55 -7.268 -1.307 -0.480 438 HE ARG 55 HE ARG 55 -7.956 -0.773 1.955 439 HH11 ARG 55 1HH1 ARG 55 -6.675 1.554 -0.351 440 HH12 ARG 55 2HH1 ARG 55 -7.482 2.903 0.378 441 HH21 ARG 55 1HH2 ARG 55 -9.010 1.010 2.919 442 HH22 ARG 55 2HH2 ARG 55 -8.798 2.599 2.244 443 H LEU 56 H LEU 56 -1.873 -1.686 2.112 444 HA LEU 56 HA LEU 56 -1.306 -3.703 0.228 445 HB2 LEU 56 2HB LEU 56 0.456 -1.853 1.815 446 HB3 LEU 56 3HB LEU 56 1.116 -3.014 0.680 447 HG LEU 56 HG LEU 56 -0.862 -0.863 -0.074 448 HD11 LEU 56 1HD1 LEU 56 1.235 0.127 0.677 449 HD12 LEU 56 2HD1 LEU 56 1.047 0.292 -1.069 450 HD13 LEU 56 3HD1 LEU 56 2.135 -0.931 -0.410 451 HD21 LEU 56 3HD2 LEU 56 -0.174 -1.428 -2.357 452 HD22 LEU 56 1HD2 LEU 56 -0.887 -2.816 -1.534 453 HD23 LEU 56 2HD2 LEU 56 0.863 -2.707 -1.729 454 H ARG 57 H ARG 57 -0.407 -3.351 3.643 455 HA ARG 57 HA ARG 57 1.085 -5.680 3.941 456 HB2 ARG 57 2HB ARG 57 -0.720 -4.277 5.913 457 HB3 ARG 57 3HB ARG 57 0.341 -5.605 6.353 458 HG2 ARG 57 2HG ARG 57 2.278 -4.272 5.647 459 HG3 ARG 57 3HG ARG 57 1.194 -2.937 5.250 460 HD2 ARG 57 2HD ARG 57 2.186 -2.592 7.439 461 HD3 ARG 57 3HD ARG 57 0.448 -2.858 7.584 462 HE ARG 57 HE ARG 57 1.962 -5.275 7.892 463 HH11 ARG 57 1HH1 ARG 57 0.717 -2.442 9.552 464 HH12 ARG 57 2HH1 ARG 57 0.861 -3.159 11.131 465 HH21 ARG 57 1HH2 ARG 57 2.133 -6.218 9.978 466 HH22 ARG 57 2HH2 ARG 57 1.643 -5.297 11.376 467 H ALA 58 H ALA 58 -2.397 -5.223 4.576 468 HA ALA 58 HA ALA 58 -2.954 -7.883 5.249 469 HB1 ALA 58 3HB ALA 58 -5.287 -7.325 4.918 470 HB2 ALA 58 1HB ALA 58 -4.836 -5.879 4.010 471 HB3 ALA 58 2HB ALA 58 -4.456 -5.996 5.728 472 H TYR 59 H TYR 59 -2.853 -6.287 2.116 473 HA TYR 59 HA TYR 59 -4.076 -8.383 0.657 474 HB2 TYR 59 2HB TYR 59 -3.901 -6.096 -0.223 475 HB3 TYR 59 3HB TYR 59 -2.148 -6.247 -0.281 476 HD1 TYR 59 HD2 TYR 59 -5.303 -7.519 -1.738 477 HD2 TYR 59 HD1 TYR 59 -1.076 -7.270 -2.134 478 HE1 TYR 59 HE2 TYR 59 -5.473 -8.415 -4.021 479 HE2 TYR 59 HE1 TYR 59 -1.229 -8.154 -4.422 480 HH TYR 59 HH TYR 59 -4.132 -8.357 -6.124 481 H GLN 60 H GLN 60 -0.680 -7.564 1.312 482 HA GLN 60 HA GLN 60 0.274 -9.780 -0.264 483 HB2 GLN 60 2HB GLN 60 1.552 -7.702 -0.156 484 HB3 GLN 60 3HB GLN 60 1.736 -7.883 1.581 485 HG2 GLN 60 2HG GLN 60 2.702 -10.118 -0.088 486 HG3 GLN 60 3HG GLN 60 3.603 -8.605 -0.185 487 HE21 GLN 60 1HE2 GLN 60 4.316 -11.243 0.939 488 HE22 GLN 60 2HE2 GLN 60 4.787 -10.923 2.574 489 H ASP 61 H ASP 61 -0.433 -9.145 3.074 490 HA ASP 61 HA ASP 61 1.027 -11.206 4.291 491 HB2 ASP 61 2HB ASP 61 -0.026 -9.395 5.557 492 HB3 ASP 61 3HB ASP 61 -1.619 -9.990 5.105 493 H GLN 62 H GLN 62 -2.269 -11.170 2.995 494 HA GLN 62 HA GLN 62 -2.840 -13.846 3.812 495 HB2 GLN 62 2HB GLN 62 -4.913 -13.584 2.545 496 HB3 GLN 62 3HB GLN 62 -4.612 -12.185 3.566 497 HG2 GLN 62 2HG GLN 62 -3.699 -11.010 1.576 498 HG3 GLN 62 3HG GLN 62 -4.199 -12.386 0.593 499 HE21 GLN 62 1HE2 GLN 62 -5.250 -9.673 2.480 500 HE22 GLN 62 2HE2 GLN 62 -6.886 -9.655 1.914 501 H ILE 63 H ILE 63 -0.920 -12.702 1.335 502 HA ILE 63 HA ILE 63 -1.537 -14.648 -0.672 503 HB ILE 63 HB ILE 63 1.000 -13.052 -0.257 504 HG12 ILE 63 2HG1 ILE 63 -1.347 -12.584 -2.113 505 HG13 ILE 63 3HG1 ILE 63 -1.010 -11.668 -0.648 506 HG21 ILE 63 1HG2 ILE 63 1.462 -13.569 -2.623 507 HG22 ILE 63 2HG2 ILE 63 0.064 -14.647 -2.640 508 HG23 ILE 63 3HG2 ILE 63 1.448 -15.010 -1.605 509 HD11 ILE 63 3HD1 ILE 63 0.747 -11.790 -3.091 510 HD12 ILE 63 1HD1 ILE 63 1.068 -10.858 -1.629 511 HD13 ILE 63 2HD1 ILE 63 -0.319 -10.457 -2.641 512 H SER 64 H SER 64 0.393 -14.563 2.197 513 HA SER 64 HA SER 64 1.617 -17.153 1.599 514 HB2 SER 64 2HB SER 64 3.087 -15.413 2.522 515 HB3 SER 64 3HB SER 64 2.019 -15.228 3.911 516 HG SER 64 HG SER 64 2.948 -16.872 4.814 517 HA PRO 65 HA PRO 65 -1.388 -19.397 4.040 518 HB2 PRO 65 2HB PRO 65 0.913 -21.006 4.991 519 HB3 PRO 65 3HB PRO 65 -0.565 -21.529 4.179 520 HG2 PRO 65 2HG PRO 65 1.770 -21.492 2.887 521 HG3 PRO 65 3HG PRO 65 0.259 -21.045 2.072 522 HD2 PRO 65 2HD PRO 65 2.434 -19.285 3.132 523 HD3 PRO 65 3HD PRO 65 1.483 -19.128 1.641 524 H VAL 66 H VAL 66 -2.080 -18.203 5.717 525 HA VAL 66 HA VAL 66 -0.262 -17.852 8.009 526 HB VAL 66 HB VAL 66 -1.677 -15.882 8.631 527 HG11 VAL 66 1HG1 VAL 66 -0.384 -15.722 5.909 528 HG12 VAL 66 2HG1 VAL 66 0.460 -15.621 7.454 529 HG13 VAL 66 3HG1 VAL 66 -0.693 -14.369 6.996 530 HG21 VAL 66 3HG2 VAL 66 -3.148 -14.898 6.950 531 HG22 VAL 66 1HG2 VAL 66 -3.696 -16.515 7.398 532 HG23 VAL 66 2HG2 VAL 66 -2.844 -16.264 5.874 533 HA PRO 67 HA PRO 67 -2.843 -20.300 10.608 534 HB2 PRO 67 2HB PRO 67 -2.511 -18.149 12.632 535 HB3 PRO 67 3HB PRO 67 -2.140 -19.872 12.750 536 HG2 PRO 67 2HG PRO 67 -0.196 -18.067 12.496 537 HG3 PRO 67 3HG PRO 67 -0.100 -19.640 11.681 538 HD2 PRO 67 2HD PRO 67 -0.770 -16.955 10.553 539 HD3 PRO 67 3HD PRO 67 0.172 -18.279 9.836 540 H GLY 68 H GLY 68 -4.962 -20.388 10.252 541 HA2 GLY 68 2HA GLY 68 -7.180 -19.857 10.812 542 HA3 GLY 68 3HA GLY 68 -6.659 -18.243 11.272 543 H ALA 69 H ALA 69 -5.271 -17.537 8.972 544 HA ALA 69 HA ALA 69 -5.596 -16.438 7.020 545 HB1 ALA 69 3HB ALA 69 -6.755 -17.602 5.220 546 HB2 ALA 69 1HB ALA 69 -7.419 -18.753 6.379 547 HB3 ALA 69 2HB ALA 69 -5.680 -18.691 6.093 548 HA PRO 70 HA PRO 70 -9.169 -14.196 8.712 549 HB2 PRO 70 2HB PRO 70 -7.886 -12.056 7.107 550 HB3 PRO 70 3HB PRO 70 -8.422 -12.034 8.788 551 HG2 PRO 70 2HG PRO 70 -5.831 -12.173 8.179 552 HG3 PRO 70 3HG PRO 70 -6.498 -13.075 9.554 553 HD2 PRO 70 2HD PRO 70 -5.725 -14.053 6.836 554 HD3 PRO 70 3HD PRO 70 -5.525 -14.838 8.416 555 H LYS 71 H LYS 71 -10.960 -14.801 7.674 556 HA LYS 71 HA LYS 71 -11.413 -14.564 4.882 557 HB2 LYS 71 2HB LYS 71 -12.684 -16.092 6.377 558 HB3 LYS 71 3HB LYS 71 -13.414 -14.696 7.154 559 HG2 LYS 71 2HG LYS 71 -14.503 -14.086 5.060 560 HG3 LYS 71 3HG LYS 71 -13.740 -15.464 4.260 561 HD2 LYS 71 2HD LYS 71 -14.892 -16.974 5.836 562 HD3 LYS 71 3HD LYS 71 -15.701 -15.578 6.551 563 HE2 LYS 71 2HE LYS 71 -16.754 -15.087 4.399 564 HE3 LYS 71 3HE LYS 71 -15.932 -16.470 3.678 565 HZ1 LYS 71 3HZ LYS 71 -18.199 -17.026 4.266 566 HZ2 LYS 71 1HZ LYS 71 -17.921 -16.584 5.880 567 HZ3 LYS 71 2HZ LYS 71 -17.118 -17.920 5.215 568 H ALA 72 H ALA 72 -12.571 -12.957 3.750 569 HA ALA 72 HA ALA 72 -11.887 -10.349 4.284 570 HB1 ALA 72 3HB ALA 72 -13.504 -9.693 2.591 571 HB2 ALA 72 1HB ALA 72 -14.290 -11.268 2.714 572 HB3 ALA 72 2HB ALA 72 -12.640 -11.151 2.102 573 HA PRO 73 HA PRO 73 -14.908 -9.449 7.469 574 HB2 PRO 73 2HB PRO 73 -13.329 -7.480 8.603 575 HB3 PRO 73 3HB PRO 73 -13.250 -9.197 8.998 576 HG2 PRO 73 2HG PRO 73 -11.278 -7.599 7.678 577 HG3 PRO 73 3HG PRO 73 -11.203 -9.324 8.061 578 HD2 PRO 73 2HD PRO 73 -11.866 -7.987 5.512 579 HD3 PRO 73 3HD PRO 73 -11.262 -9.631 5.808 580 H ALA 74 H ALA 74 -16.590 -8.142 7.292 581 HA ALA 74 HA ALA 74 -16.277 -5.581 5.885 582 HB1 ALA 74 3HB ALA 74 -17.988 -7.112 5.010 583 HB2 ALA 74 1HB ALA 74 -18.703 -5.620 5.623 584 HB3 ALA 74 2HB ALA 74 -18.792 -7.098 6.580 585 H ALA 75 H ALA 75 -16.922 -3.654 6.831 586 HA ALA 75 HA ALA 75 -17.045 -3.721 9.753 587 HB1 ALA 75 3HB ALA 75 -15.315 -2.319 8.708 588 HB2 ALA 75 1HB ALA 75 -16.447 -1.369 9.670 589 HB3 ALA 75 2HB ALA 75 -16.575 -1.376 7.912 Start of MODEL 11 1 H1 MET 1 1H MET 1 5.122 3.766 17.336 2 H2 MET 1 2H MET 1 5.538 5.392 17.571 3 H3 MET 1 3H MET 1 5.401 4.773 16.000 4 HA MET 1 HA MET 1 3.046 4.406 16.312 5 HB2 MET 1 2HB MET 1 3.051 4.027 18.719 6 HB3 MET 1 3HB MET 1 3.578 5.679 19.006 7 HG2 MET 1 2HG MET 1 1.453 6.479 18.009 8 HG3 MET 1 3HG MET 1 0.930 4.802 17.874 9 HE1 MET 1 3HE MET 1 3.052 6.358 20.809 10 HE2 MET 1 1HE MET 1 1.782 6.897 21.906 11 HE3 MET 1 2HE MET 1 1.980 7.674 20.338 12 H GLY 2 H GLY 2 1.939 5.875 15.164 13 HA2 GLY 2 2HA GLY 2 1.083 8.028 14.721 14 HA3 GLY 2 3HA GLY 2 2.389 8.723 15.670 15 H HIS 3 H HIS 3 1.514 9.559 13.077 16 HA HIS 3 HA HIS 3 3.977 9.043 11.546 17 HB2 HIS 3 2HB HIS 3 1.241 9.707 10.422 18 HB3 HIS 3 3HB HIS 3 2.702 9.432 9.483 19 HD1 HIS 3 HD1 HIS 3 3.224 7.035 8.840 20 HD2 HIS 3 HD2 HIS 3 0.203 7.323 11.693 21 HE1 HIS 3 HE1 HIS 3 2.291 4.716 9.079 22 HE2 HIS 3 HE2 HIS 3 0.362 4.948 10.677 23 H HIS 4 H HIS 4 5.242 10.794 11.607 24 HA HIS 4 HA HIS 4 4.121 13.304 12.512 25 HB2 HIS 4 2HB HIS 4 6.382 12.206 13.203 26 HB3 HIS 4 3HB HIS 4 6.989 12.915 11.711 27 HD1 HIS 4 HD1 HIS 4 8.562 14.289 13.417 28 HD2 HIS 4 HD2 HIS 4 4.507 15.216 13.504 29 HE1 HIS 4 HE1 HIS 4 8.393 16.492 14.608 30 HE2 HIS 4 HE2 HIS 4 5.961 17.124 14.480 31 H HIS 5 H HIS 5 4.095 15.237 11.397 32 HA HIS 5 HA HIS 5 3.378 15.214 8.749 33 HB2 HIS 5 2HB HIS 5 2.904 17.067 10.289 34 HB3 HIS 5 3HB HIS 5 4.601 17.527 10.265 35 HD1 HIS 5 HD1 HIS 5 4.682 19.677 9.031 36 HD2 HIS 5 HD2 HIS 5 2.189 16.910 7.181 37 HE1 HIS 5 HE1 HIS 5 3.948 20.755 6.886 38 HE2 HIS 5 HE2 HIS 5 2.316 19.131 5.864 39 H HIS 6 H HIS 6 6.613 16.024 10.029 40 HA HIS 6 HA HIS 6 7.614 16.300 7.316 41 HB2 HIS 6 2HB HIS 6 8.379 17.837 9.114 42 HB3 HIS 6 3HB HIS 6 9.136 16.468 9.922 43 HD1 HIS 6 HD1 HIS 6 11.572 17.006 9.672 44 HD2 HIS 6 HD2 HIS 6 9.488 17.326 6.083 45 HE1 HIS 6 HE1 HIS 6 13.318 17.389 7.903 46 HE2 HIS 6 HE2 HIS 6 12.051 17.381 5.719 47 H HIS 7 H HIS 7 8.368 14.686 6.174 48 HA HIS 7 HA HIS 7 9.970 12.612 7.460 49 HB2 HIS 7 2HB HIS 7 7.504 11.866 7.136 50 HB3 HIS 7 3HB HIS 7 7.880 11.846 5.418 51 HD1 HIS 7 HD1 HIS 7 7.412 9.516 7.866 52 HD2 HIS 7 HD2 HIS 7 10.637 10.210 5.326 53 HE1 HIS 7 HE1 HIS 7 8.687 7.351 7.775 54 HE2 HIS 7 HE2 HIS 7 10.706 7.829 6.348 55 H HIS 8 H HIS 8 11.861 12.594 6.380 56 HA HIS 8 HA HIS 8 11.938 13.806 3.740 57 HB2 HIS 8 2HB HIS 8 14.469 13.421 3.965 58 HB3 HIS 8 3HB HIS 8 13.714 14.619 5.001 59 HD1 HIS 8 HD1 HIS 8 15.022 14.597 7.078 60 HD2 HIS 8 HD2 HIS 8 14.223 10.739 5.734 61 HE1 HIS 8 HE1 HIS 8 15.907 13.055 8.859 62 HE2 HIS 8 HE2 HIS 8 15.386 10.729 8.046 63 H SER 9 H SER 9 10.658 12.074 2.842 64 HA SER 9 HA SER 9 11.858 9.499 2.457 65 HB2 SER 9 2HB SER 9 9.490 10.791 1.085 66 HB3 SER 9 3HB SER 9 9.920 9.082 1.007 67 HG SER 9 HG SER 9 9.013 8.791 2.869 68 H HIS 10 H HIS 10 13.484 9.157 1.116 69 HA HIS 10 HA HIS 10 13.390 10.234 -1.577 70 HB2 HIS 10 2HB HIS 10 15.596 11.189 -1.554 71 HB3 HIS 10 3HB HIS 10 14.696 11.905 -0.226 72 HD1 HIS 10 HD1 HIS 10 17.852 10.357 -0.993 73 HD2 HIS 10 HD2 HIS 10 15.403 10.610 2.365 74 HE1 HIS 10 HE1 HIS 10 19.322 9.779 0.968 75 HE2 HIS 10 HE2 HIS 10 17.801 9.834 2.979 76 H MET 11 H MET 11 14.559 8.967 -3.069 77 HA MET 11 HA MET 11 15.644 6.483 -1.915 78 HB2 MET 11 2HB MET 11 14.984 5.343 -4.030 79 HB3 MET 11 3HB MET 11 13.628 5.919 -3.074 80 HG2 MET 11 2HG MET 11 13.214 7.705 -4.566 81 HG3 MET 11 3HG MET 11 14.747 7.455 -5.399 82 HE1 MET 11 3HE MET 11 11.278 4.408 -5.633 83 HE2 MET 11 1HE MET 11 11.171 5.893 -4.687 84 HE3 MET 11 2HE MET 11 12.300 4.623 -4.210 85 H SER 12 H SER 12 17.763 6.910 -1.874 86 HA SER 12 HA SER 12 19.063 7.748 -4.360 87 HB2 SER 12 2HB SER 12 21.101 7.875 -2.778 88 HB3 SER 12 3HB SER 12 19.829 9.079 -2.566 89 HG SER 12 HG SER 12 20.627 7.008 -0.905 90 H THR 13 H THR 13 18.158 5.036 -2.745 91 HA THR 13 HA THR 13 20.183 3.405 -4.115 92 HB THR 13 HB THR 13 19.742 1.730 -2.184 93 HG1 THR 13 HG1 THR 13 19.421 3.722 -0.371 94 HG21 THR 13 3HG2 THR 13 21.306 4.263 -1.664 95 HG22 THR 13 1HG2 THR 13 21.897 2.836 -2.515 96 HG23 THR 13 2HG2 THR 13 21.503 2.741 -0.797 97 HA PRO 14 HA PRO 14 16.648 1.507 -5.985 98 HB2 PRO 14 2HB PRO 14 18.246 -0.937 -6.290 99 HB3 PRO 14 3HB PRO 14 17.602 0.140 -7.532 100 HG2 PRO 14 2HG PRO 14 20.234 0.012 -6.986 101 HG3 PRO 14 3HG PRO 14 19.448 1.521 -7.483 102 HD2 PRO 14 2HD PRO 14 20.250 0.615 -4.741 103 HD3 PRO 14 3HD PRO 14 20.406 2.220 -5.489 104 H LEU 15 H LEU 15 15.003 0.120 -5.475 105 HA LEU 15 HA LEU 15 15.041 -0.990 -2.822 106 HB2 LEU 15 2HB LEU 15 13.054 0.166 -3.778 107 HB3 LEU 15 3HB LEU 15 12.889 -1.135 -4.938 108 HG LEU 15 HG LEU 15 12.505 -2.719 -3.060 109 HD11 LEU 15 1HD1 LEU 15 11.984 -1.800 -0.841 110 HD12 LEU 15 2HD1 LEU 15 12.520 -0.211 -1.384 111 HD13 LEU 15 3HD1 LEU 15 13.670 -1.546 -1.294 112 HD21 LEU 15 3HD2 LEU 15 10.624 -1.739 -4.259 113 HD22 LEU 15 1HD2 LEU 15 10.639 -0.350 -3.169 114 HD23 LEU 15 2HD2 LEU 15 10.236 -1.951 -2.552 115 H THR 16 H THR 16 14.571 -3.195 -2.321 116 HA THR 16 HA THR 16 15.975 -5.047 -3.992 117 HB THR 16 HB THR 16 16.083 -5.141 -1.508 118 HG1 THR 16 HG1 THR 16 15.080 -7.610 -1.811 119 HG21 THR 16 3HG2 THR 16 13.247 -6.146 -1.707 120 HG22 THR 16 1HG2 THR 16 13.747 -4.603 -1.015 121 HG23 THR 16 2HG2 THR 16 14.233 -6.114 -0.246 122 H GLY 17 H GLY 17 14.958 -7.235 -4.483 123 HA2 GLY 17 2HA GLY 17 12.455 -6.688 -5.893 124 HA3 GLY 17 3HA GLY 17 13.536 -8.042 -6.185 125 H LYS 18 H LYS 18 12.170 -9.714 -6.020 126 HA LYS 18 HA LYS 18 10.850 -11.305 -5.111 127 HB2 LYS 18 2HB LYS 18 11.794 -10.064 -2.525 128 HB3 LYS 18 3HB LYS 18 10.738 -11.466 -2.578 129 HG2 LYS 18 2HG LYS 18 12.897 -12.316 -2.265 130 HG3 LYS 18 3HG LYS 18 12.538 -12.591 -3.968 131 HD2 LYS 18 2HD LYS 18 13.812 -10.549 -4.534 132 HD3 LYS 18 3HD LYS 18 14.217 -10.355 -2.826 133 HE2 LYS 18 2HE LYS 18 15.362 -12.506 -2.843 134 HE3 LYS 18 3HE LYS 18 14.933 -12.732 -4.540 135 HZ1 LYS 18 3HZ LYS 18 17.153 -11.940 -4.468 136 HZ2 LYS 18 1HZ LYS 18 16.758 -10.682 -3.397 137 HZ3 LYS 18 2HZ LYS 18 16.197 -10.646 -4.995 138 HA PRO 19 HA PRO 19 7.480 -8.173 -4.998 139 HB2 PRO 19 2HB PRO 19 5.957 -9.331 -6.916 140 HB3 PRO 19 3HB PRO 19 7.325 -8.275 -7.284 141 HG2 PRO 19 2HG PRO 19 7.182 -11.262 -7.285 142 HG3 PRO 19 3HG PRO 19 7.958 -10.178 -8.456 143 HD2 PRO 19 2HD PRO 19 9.336 -11.497 -6.518 144 HD3 PRO 19 3HD PRO 19 9.837 -9.918 -7.154 145 H GLY 20 H GLY 20 7.692 -11.413 -4.148 146 HA2 GLY 20 2HA GLY 20 4.937 -11.983 -3.651 147 HA3 GLY 20 3HA GLY 20 6.313 -12.863 -3.003 148 H ALA 21 H ALA 21 7.135 -9.935 -2.134 149 HA ALA 21 HA ALA 21 5.327 -9.700 0.160 150 HB1 ALA 21 3HB ALA 21 7.244 -11.002 0.938 151 HB2 ALA 21 1HB ALA 21 7.224 -9.405 1.689 152 HB3 ALA 21 2HB ALA 21 8.341 -9.746 0.366 153 H LEU 22 H LEU 22 6.371 -7.626 1.469 154 HA LEU 22 HA LEU 22 6.773 -5.504 -0.534 155 HB2 LEU 22 2HB LEU 22 5.066 -5.326 1.954 156 HB3 LEU 22 3HB LEU 22 5.363 -4.027 0.816 157 HG LEU 22 HG LEU 22 3.898 -6.580 0.150 158 HD11 LEU 22 1HD1 LEU 22 2.656 -5.258 1.761 159 HD12 LEU 22 2HD1 LEU 22 1.890 -5.179 0.174 160 HD13 LEU 22 3HD1 LEU 22 2.850 -3.821 0.757 161 HD21 LEU 22 3HD2 LEU 22 4.972 -5.573 -1.785 162 HD22 LEU 22 1HD2 LEU 22 4.261 -4.009 -1.392 163 HD23 LEU 22 2HD2 LEU 22 3.224 -5.354 -1.869 164 HA PRO 23 HA PRO 23 10.133 -4.207 2.109 165 HB2 PRO 23 2HB PRO 23 10.000 -1.497 1.720 166 HB3 PRO 23 3HB PRO 23 10.749 -2.618 0.579 167 HG2 PRO 23 2HG PRO 23 8.024 -1.383 0.515 168 HG3 PRO 23 3HG PRO 23 9.165 -1.654 -0.815 169 HD2 PRO 23 2HD PRO 23 7.043 -3.263 -0.400 170 HD3 PRO 23 3HD PRO 23 8.586 -3.880 -1.030 171 H ALA 24 H ALA 24 10.267 -3.785 4.242 172 HA ALA 24 HA ALA 24 7.977 -3.368 5.798 173 HB1 ALA 24 3HB ALA 24 9.481 -3.197 7.692 174 HB2 ALA 24 1HB ALA 24 10.845 -2.937 6.607 175 HB3 ALA 24 2HB ALA 24 10.004 -4.487 6.610 176 H ASN 25 H ASN 25 10.101 -1.103 4.292 177 HA ASN 25 HA ASN 25 9.372 1.101 6.015 178 HB2 ASN 25 2HB ASN 25 11.039 0.961 3.499 179 HB3 ASN 25 3HB ASN 25 10.738 2.450 4.388 180 HD21 ASN 25 1HD2 ASN 25 11.672 2.753 6.408 181 HD22 ASN 25 2HD2 ASN 25 12.981 1.754 6.968 182 H LEU 26 H LEU 26 7.039 0.239 5.182 183 HA LEU 26 HA LEU 26 6.181 1.354 2.692 184 HB2 LEU 26 2HB LEU 26 4.666 0.225 5.035 185 HB3 LEU 26 3HB LEU 26 3.878 0.830 3.591 186 HG LEU 26 HG LEU 26 5.840 -1.461 3.678 187 HD11 LEU 26 1HD1 LEU 26 3.895 -2.850 3.177 188 HD12 LEU 26 2HD1 LEU 26 2.852 -1.432 3.307 189 HD13 LEU 26 3HD1 LEU 26 3.718 -2.022 4.725 190 HD21 LEU 26 3HD2 LEU 26 4.183 -0.369 1.408 191 HD22 LEU 26 1HD2 LEU 26 5.189 -1.816 1.350 192 HD23 LEU 26 2HD2 LEU 26 5.934 -0.233 1.571 193 H ASP 27 H ASP 27 6.543 2.633 5.879 194 HA ASP 27 HA ASP 27 4.698 4.817 5.331 195 HB2 ASP 27 2HB ASP 27 4.790 3.940 7.627 196 HB3 ASP 27 3HB ASP 27 6.489 4.400 7.732 197 H ASP 28 H ASP 28 8.097 4.122 5.308 198 HA ASP 28 HA ASP 28 8.974 6.803 4.934 199 HB2 ASP 28 2HB ASP 28 10.238 4.153 4.218 200 HB3 ASP 28 3HB ASP 28 11.029 5.701 3.939 201 H MET 29 H MET 29 7.611 4.359 2.913 202 HA MET 29 HA MET 29 8.111 5.594 0.409 203 HB2 MET 29 2HB MET 29 5.933 3.702 1.316 204 HB3 MET 29 3HB MET 29 6.159 4.204 -0.354 205 HG2 MET 29 2HG MET 29 8.309 2.851 1.244 206 HG3 MET 29 3HG MET 29 7.117 1.966 0.293 207 HE1 MET 29 3HE MET 29 7.051 1.845 -2.278 208 HE2 MET 29 1HE MET 29 7.926 2.944 -3.346 209 HE3 MET 29 2HE MET 29 6.661 3.564 -2.283 210 H LYS 30 H LYS 30 6.869 7.024 -0.756 211 HA LYS 30 HA LYS 30 5.352 8.887 0.817 212 HB2 LYS 30 2HB LYS 30 5.658 8.907 -2.182 213 HB3 LYS 30 3HB LYS 30 5.347 10.270 -1.118 214 HG2 LYS 30 2HG LYS 30 7.563 10.176 -0.235 215 HG3 LYS 30 3HG LYS 30 7.891 8.664 -1.084 216 HD2 LYS 30 2HD LYS 30 7.487 9.928 -3.234 217 HD3 LYS 30 3HD LYS 30 7.484 11.403 -2.266 218 HE2 LYS 30 2HE LYS 30 9.738 10.931 -1.501 219 HE3 LYS 30 3HE LYS 30 9.741 9.411 -2.391 220 HZ1 LYS 30 3HZ LYS 30 9.750 12.160 -3.484 221 HZ2 LYS 30 1HZ LYS 30 9.372 10.805 -4.436 222 HZ3 LYS 30 2HZ LYS 30 10.899 10.937 -3.714 223 H VAL 31 H VAL 31 3.222 9.736 -0.101 224 HA VAL 31 HA VAL 31 1.321 7.657 0.033 225 HB VAL 31 HB VAL 31 0.850 10.459 -1.006 226 HG11 VAL 31 1HG1 VAL 31 -1.010 8.456 0.269 227 HG12 VAL 31 2HG1 VAL 31 -0.997 8.938 -1.427 228 HG13 VAL 31 3HG1 VAL 31 -1.436 10.108 -0.181 229 HG21 VAL 31 3HG2 VAL 31 0.747 9.450 1.837 230 HG22 VAL 31 1HG2 VAL 31 0.302 11.068 1.296 231 HG23 VAL 31 2HG2 VAL 31 1.976 10.525 1.167 232 H ALA 32 H ALA 32 2.431 9.662 -2.680 233 HA ALA 32 HA ALA 32 0.807 8.460 -4.648 234 HB1 ALA 32 3HB ALA 32 2.323 9.497 -6.265 235 HB2 ALA 32 1HB ALA 32 3.456 9.866 -4.967 236 HB3 ALA 32 2HB ALA 32 1.862 10.624 -4.990 237 H GLU 33 H GLU 33 3.966 7.648 -3.368 238 HA GLU 33 HA GLU 33 4.672 5.772 -5.375 239 HB2 GLU 33 2HB GLU 33 5.660 5.926 -2.520 240 HB3 GLU 33 3HB GLU 33 6.447 5.090 -3.853 241 HG2 GLU 33 2HG GLU 33 5.979 8.058 -3.732 242 HG3 GLU 33 3HG GLU 33 7.482 7.259 -3.283 243 H LEU 34 H LEU 34 3.077 5.514 -2.235 244 HA LEU 34 HA LEU 34 2.831 2.707 -2.169 245 HB2 LEU 34 2HB LEU 34 1.062 4.856 -1.001 246 HB3 LEU 34 3HB LEU 34 0.897 3.149 -0.645 247 HG LEU 34 HG LEU 34 3.353 4.793 -0.025 248 HD11 LEU 34 1HD1 LEU 34 1.153 3.832 1.803 249 HD12 LEU 34 2HD1 LEU 34 1.425 5.503 1.306 250 HD13 LEU 34 3HD1 LEU 34 2.624 4.671 2.297 251 HD21 LEU 34 3HD2 LEU 34 3.986 2.846 1.326 252 HD22 LEU 34 1HD2 LEU 34 3.835 2.435 -0.382 253 HD23 LEU 34 2HD2 LEU 34 2.559 1.986 0.750 254 H LYS 35 H LYS 35 0.814 5.248 -3.538 255 HA LYS 35 HA LYS 35 -1.294 3.546 -4.360 256 HB2 LYS 35 2HB LYS 35 -0.481 6.298 -5.284 257 HB3 LYS 35 3HB LYS 35 -1.949 5.482 -5.805 258 HG2 LYS 35 2HG LYS 35 -2.723 5.387 -3.486 259 HG3 LYS 35 3HG LYS 35 -1.254 6.214 -2.967 260 HD2 LYS 35 2HD LYS 35 -1.868 8.175 -4.251 261 HD3 LYS 35 3HD LYS 35 -3.293 7.343 -4.884 262 HE2 LYS 35 2HE LYS 35 -4.179 7.147 -2.605 263 HE3 LYS 35 3HE LYS 35 -2.762 7.996 -1.985 264 HZ1 LYS 35 3HZ LYS 35 -4.759 9.404 -2.278 265 HZ2 LYS 35 1HZ LYS 35 -4.654 9.158 -3.956 266 HZ3 LYS 35 2HZ LYS 35 -3.401 9.957 -3.135 267 H GLN 36 H GLN 36 1.793 4.282 -5.721 268 HA GLN 36 HA GLN 36 1.243 3.463 -8.386 269 HB2 GLN 36 2HB GLN 36 3.788 3.632 -6.780 270 HB3 GLN 36 3HB GLN 36 3.766 3.069 -8.445 271 HG2 GLN 36 2HG GLN 36 2.735 5.746 -7.551 272 HG3 GLN 36 3HG GLN 36 4.358 5.461 -8.175 273 HE21 GLN 36 1HE2 GLN 36 3.513 3.520 -10.140 274 HE22 GLN 36 2HE2 GLN 36 2.722 4.406 -11.396 275 H GLU 37 H GLU 37 2.348 1.776 -5.481 276 HA GLU 37 HA GLU 37 2.630 -0.740 -6.807 277 HB2 GLU 37 2HB GLU 37 2.339 -0.139 -3.857 278 HB3 GLU 37 3HB GLU 37 2.852 -1.675 -4.546 279 HG2 GLU 37 2HG GLU 37 4.314 0.948 -4.757 280 HG3 GLU 37 3HG GLU 37 4.755 -0.415 -3.731 281 H LEU 38 H LEU 38 0.114 0.881 -4.988 282 HA LEU 38 HA LEU 38 -1.690 -1.224 -4.689 283 HB2 LEU 38 2HB LEU 38 -2.163 1.732 -5.028 284 HB3 LEU 38 3HB LEU 38 -3.442 0.595 -4.647 285 HG LEU 38 HG LEU 38 -1.011 1.048 -2.909 286 HD11 LEU 38 1HD1 LEU 38 -2.385 3.064 -3.030 287 HD12 LEU 38 2HD1 LEU 38 -2.491 2.302 -1.444 288 HD13 LEU 38 3HD1 LEU 38 -3.811 2.119 -2.599 289 HD21 LEU 38 3HD2 LEU 38 -2.364 -0.114 -1.211 290 HD22 LEU 38 1HD2 LEU 38 -1.997 -1.141 -2.598 291 HD23 LEU 38 2HD2 LEU 38 -3.601 -0.429 -2.430 292 H LYS 39 H LYS 39 -1.553 1.215 -7.299 293 HA LYS 39 HA LYS 39 -3.736 0.213 -8.743 294 HB2 LYS 39 2HB LYS 39 -2.764 1.450 -10.693 295 HB3 LYS 39 3HB LYS 39 -2.970 2.415 -9.240 296 HG2 LYS 39 2HG LYS 39 -0.705 2.583 -8.867 297 HG3 LYS 39 3HG LYS 39 -0.339 1.123 -9.785 298 HD2 LYS 39 2HD LYS 39 0.343 3.276 -10.877 299 HD3 LYS 39 3HD LYS 39 -0.691 2.238 -11.853 300 HE2 LYS 39 2HE LYS 39 -2.639 3.613 -11.095 301 HE3 LYS 39 3HE LYS 39 -1.491 4.711 -10.332 302 HZ1 LYS 39 3HZ LYS 39 -2.187 5.434 -12.560 303 HZ2 LYS 39 1HZ LYS 39 -1.507 4.030 -13.223 304 HZ3 LYS 39 2HZ LYS 39 -0.514 5.177 -12.459 305 H LEU 40 H LEU 40 -0.364 -0.734 -8.754 306 HA LEU 40 HA LEU 40 -0.562 -2.240 -11.187 307 HB2 LEU 40 2HB LEU 40 1.549 -2.150 -9.035 308 HB3 LEU 40 3HB LEU 40 1.700 -3.076 -10.519 309 HG LEU 40 HG LEU 40 1.439 -0.071 -10.346 310 HD11 LEU 40 1HD1 LEU 40 3.791 -1.831 -11.015 311 HD12 LEU 40 2HD1 LEU 40 3.599 -0.846 -9.562 312 HD13 LEU 40 3HD1 LEU 40 3.759 -0.072 -11.141 313 HD21 LEU 40 3HD2 LEU 40 1.859 -1.884 -12.719 314 HD22 LEU 40 1HD2 LEU 40 1.931 -0.122 -12.751 315 HD23 LEU 40 2HD2 LEU 40 0.413 -0.937 -12.370 316 H ARG 41 H ARG 41 -1.182 -2.868 -7.847 317 HA ARG 41 HA ARG 41 -1.208 -5.761 -8.376 318 HB2 ARG 41 2HB ARG 41 -1.125 -4.349 -5.704 319 HB3 ARG 41 3HB ARG 41 -1.029 -6.085 -5.966 320 HG2 ARG 41 2HG ARG 41 1.052 -5.596 -7.356 321 HG3 ARG 41 3HG ARG 41 1.002 -3.983 -6.643 322 HD2 ARG 41 2HD ARG 41 2.480 -5.296 -5.317 323 HD3 ARG 41 3HD ARG 41 0.994 -5.083 -4.388 324 HE ARG 41 HE ARG 41 0.431 -7.395 -5.427 325 HH11 ARG 41 1HH1 ARG 41 3.592 -6.335 -4.320 326 HH12 ARG 41 2HH1 ARG 41 4.154 -7.946 -4.001 327 HH21 ARG 41 1HH2 ARG 41 1.172 -9.499 -5.012 328 HH22 ARG 41 2HH2 ARG 41 2.778 -9.747 -4.400 329 H SER 42 H SER 42 -3.308 -3.668 -8.943 330 HA SER 42 HA SER 42 -5.572 -3.650 -9.102 331 HB2 SER 42 2HB SER 42 -5.404 -6.410 -7.866 332 HB3 SER 42 3HB SER 42 -6.797 -5.733 -8.710 333 HG SER 42 HG SER 42 -5.673 -6.981 -10.165 334 H LEU 43 H LEU 43 -4.304 -2.553 -6.773 335 HA LEU 43 HA LEU 43 -6.372 -2.966 -4.719 336 HB2 LEU 43 2HB LEU 43 -3.523 -2.004 -4.554 337 HB3 LEU 43 3HB LEU 43 -4.659 -1.807 -3.234 338 HG LEU 43 HG LEU 43 -4.070 -4.517 -4.395 339 HD11 LEU 43 1HD1 LEU 43 -2.628 -3.112 -2.150 340 HD12 LEU 43 2HD1 LEU 43 -1.937 -3.574 -3.704 341 HD13 LEU 43 3HD1 LEU 43 -2.456 -4.816 -2.565 342 HD21 LEU 43 3HD2 LEU 43 -5.110 -3.542 -1.741 343 HD22 LEU 43 1HD2 LEU 43 -4.822 -5.231 -2.164 344 HD23 LEU 43 2HD2 LEU 43 -6.061 -4.307 -3.018 345 HA PRO 44 HA PRO 44 -7.886 1.132 -5.540 346 HB2 PRO 44 2HB PRO 44 -8.753 1.198 -2.730 347 HB3 PRO 44 3HB PRO 44 -9.726 1.233 -4.204 348 HG2 PRO 44 2HG PRO 44 -9.669 -0.917 -2.594 349 HG3 PRO 44 3HG PRO 44 -9.819 -1.068 -4.355 350 HD2 PRO 44 2HD PRO 44 -7.404 -1.422 -2.616 351 HD3 PRO 44 3HD PRO 44 -7.949 -2.401 -3.996 352 H VAL 45 H VAL 45 -7.476 3.300 -5.013 353 HA VAL 45 HA VAL 45 -5.023 3.642 -3.422 354 HB VAL 45 HB VAL 45 -4.591 5.650 -4.773 355 HG11 VAL 45 1HG1 VAL 45 -3.637 3.538 -5.483 356 HG12 VAL 45 2HG1 VAL 45 -4.083 4.503 -6.892 357 HG13 VAL 45 3HG1 VAL 45 -5.102 3.154 -6.388 358 HG21 VAL 45 3HG2 VAL 45 -6.854 6.311 -5.318 359 HG22 VAL 45 1HG2 VAL 45 -7.088 4.841 -6.265 360 HG23 VAL 45 2HG2 VAL 45 -5.938 6.065 -6.805 361 H SER 46 H SER 46 -8.210 4.051 -3.053 362 HA SER 46 HA SER 46 -8.230 6.724 -1.955 363 HB2 SER 46 2HB SER 46 -10.208 5.853 -3.124 364 HB3 SER 46 3HB SER 46 -10.347 4.558 -1.939 365 HG SER 46 HG SER 46 -10.961 7.273 -1.710 366 H GLY 47 H GLY 47 -8.486 7.262 0.216 367 HA2 GLY 47 2HA GLY 47 -8.876 6.385 2.521 368 HA3 GLY 47 3HA GLY 47 -7.727 5.120 2.104 369 H THR 48 H THR 48 -7.130 6.451 4.315 370 HA THR 48 HA THR 48 -5.387 8.690 3.756 371 HB THR 48 HB THR 48 -4.717 8.412 6.175 372 HG1 THR 48 HG1 THR 48 -6.841 6.495 6.173 373 HG21 THR 48 3HG2 THR 48 -6.862 9.212 7.067 374 HG22 THR 48 1HG2 THR 48 -7.665 8.685 5.588 375 HG23 THR 48 2HG2 THR 48 -6.465 9.978 5.528 376 H LYS 49 H LYS 49 -3.063 8.574 4.604 377 HA LYS 49 HA LYS 49 -1.642 6.739 3.047 378 HB2 LYS 49 2HB LYS 49 -0.755 8.914 3.872 379 HB3 LYS 49 3HB LYS 49 -0.623 8.215 5.480 380 HG2 LYS 49 2HG LYS 49 0.971 6.566 4.637 381 HG3 LYS 49 3HG LYS 49 0.838 7.267 3.024 382 HD2 LYS 49 2HD LYS 49 1.637 9.426 3.966 383 HD3 LYS 49 3HD LYS 49 1.900 8.609 5.506 384 HE2 LYS 49 2HE LYS 49 3.202 7.874 2.889 385 HE3 LYS 49 3HE LYS 49 3.964 8.796 4.183 386 HZ1 LYS 49 3HZ LYS 49 4.605 6.477 4.246 387 HZ2 LYS 49 1HZ LYS 49 2.988 6.003 4.393 388 HZ3 LYS 49 2HZ LYS 49 3.727 6.881 5.641 389 H THR 50 H THR 50 -2.374 6.713 6.511 390 HA THR 50 HA THR 50 -0.929 4.442 7.239 391 HB THR 50 HB THR 50 -3.569 5.366 8.391 392 HG1 THR 50 HG1 THR 50 -2.391 6.756 9.625 393 HG21 THR 50 3HG2 THR 50 -2.788 4.292 10.453 394 HG22 THR 50 1HG2 THR 50 -1.329 3.749 9.623 395 HG23 THR 50 2HG2 THR 50 -2.904 3.124 9.136 396 H GLU 51 H GLU 51 -4.257 4.758 6.044 397 HA GLU 51 HA GLU 51 -4.942 2.030 6.295 398 HB2 GLU 51 2HB GLU 51 -6.077 4.191 4.519 399 HB3 GLU 51 3HB GLU 51 -6.790 2.593 4.707 400 HG2 GLU 51 2HG GLU 51 -7.202 2.998 7.037 401 HG3 GLU 51 3HG GLU 51 -6.352 4.541 6.954 402 H LEU 52 H LEU 52 -3.606 3.918 3.612 403 HA LEU 52 HA LEU 52 -3.684 1.908 1.659 404 HB2 LEU 52 2HB LEU 52 -1.587 4.054 2.003 405 HB3 LEU 52 3HB LEU 52 -1.906 3.152 0.536 406 HG LEU 52 HG LEU 52 -3.798 5.105 1.850 407 HD11 LEU 52 1HD1 LEU 52 -2.192 5.293 -0.693 408 HD12 LEU 52 2HD1 LEU 52 -1.903 6.200 0.791 409 HD13 LEU 52 3HD1 LEU 52 -3.380 6.471 -0.135 410 HD21 LEU 52 3HD2 LEU 52 -4.069 3.551 -0.718 411 HD22 LEU 52 1HD2 LEU 52 -5.172 4.803 -0.148 412 HD23 LEU 52 2HD2 LEU 52 -5.004 3.298 0.755 413 H ILE 53 H ILE 53 -1.254 2.707 4.091 414 HA ILE 53 HA ILE 53 0.676 0.795 3.389 415 HB ILE 53 HB ILE 53 0.041 1.960 6.107 416 HG12 ILE 53 2HG1 ILE 53 2.160 2.734 4.087 417 HG13 ILE 53 3HG1 ILE 53 0.651 3.603 4.343 418 HG21 ILE 53 1HG2 ILE 53 2.515 0.503 5.184 419 HG22 ILE 53 2HG2 ILE 53 1.314 -0.105 6.325 420 HG23 ILE 53 3HG2 ILE 53 2.302 1.294 6.747 421 HD11 ILE 53 3HD1 ILE 53 1.327 4.117 6.622 422 HD12 ILE 53 1HD1 ILE 53 2.514 4.694 5.452 423 HD13 ILE 53 2HD1 ILE 53 2.831 3.228 6.382 424 H GLU 54 H GLU 54 -1.977 0.629 5.762 425 HA GLU 54 HA GLU 54 -1.361 -2.036 6.538 426 HB2 GLU 54 2HB GLU 54 -3.924 -0.485 6.928 427 HB3 GLU 54 3HB GLU 54 -3.504 -1.988 7.741 428 HG2 GLU 54 2HG GLU 54 -1.439 -0.730 8.580 429 HG3 GLU 54 3HG GLU 54 -2.292 0.726 8.071 430 H ARG 55 H ARG 55 -3.470 -0.663 4.077 431 HA ARG 55 HA ARG 55 -4.896 -2.997 3.424 432 HB2 ARG 55 2HB ARG 55 -5.384 -0.710 2.516 433 HB3 ARG 55 3HB ARG 55 -3.960 -0.863 1.490 434 HG2 ARG 55 2HG ARG 55 -5.030 -2.965 0.565 435 HG3 ARG 55 3HG ARG 55 -6.502 -2.456 1.393 436 HD2 ARG 55 2HD ARG 55 -5.012 -0.892 -0.711 437 HD3 ARG 55 3HD ARG 55 -6.515 -1.776 -0.952 438 HE ARG 55 HE ARG 55 -6.175 0.784 0.373 439 HH11 ARG 55 1HH1 ARG 55 -8.290 -1.944 -0.199 440 HH12 ARG 55 2HH1 ARG 55 -9.754 -1.020 -0.019 441 HH21 ARG 55 1HH2 ARG 55 -8.100 2.030 0.567 442 HH22 ARG 55 2HH2 ARG 55 -9.642 1.247 0.403 443 H LEU 56 H LEU 56 -1.821 -1.712 2.202 444 HA LEU 56 HA LEU 56 -1.143 -3.807 0.486 445 HB2 LEU 56 2HB LEU 56 0.534 -1.911 2.119 446 HB3 LEU 56 3HB LEU 56 1.251 -3.093 1.044 447 HG LEU 56 HG LEU 56 -0.687 -0.962 0.140 448 HD11 LEU 56 1HD1 LEU 56 1.358 0.060 0.977 449 HD12 LEU 56 2HD1 LEU 56 1.278 0.169 -0.781 450 HD13 LEU 56 3HD1 LEU 56 2.325 -1.029 -0.016 451 HD21 LEU 56 3HD2 LEU 56 -0.654 -2.899 -1.306 452 HD22 LEU 56 1HD2 LEU 56 1.110 -2.868 -1.354 453 HD23 LEU 56 2HD2 LEU 56 0.184 -1.560 -2.091 454 H ARG 57 H ARG 57 -0.374 -3.345 3.913 455 HA ARG 57 HA ARG 57 1.110 -5.650 4.361 456 HB2 ARG 57 2HB ARG 57 -0.742 -4.131 6.201 457 HB3 ARG 57 3HB ARG 57 0.317 -5.425 6.747 458 HG2 ARG 57 2HG ARG 57 2.263 -4.173 6.175 459 HG3 ARG 57 3HG ARG 57 1.295 -2.942 5.359 460 HD2 ARG 57 2HD ARG 57 2.029 -2.195 7.569 461 HD3 ARG 57 3HD ARG 57 0.276 -2.317 7.468 462 HE ARG 57 HE ARG 57 1.416 -4.715 8.505 463 HH11 ARG 57 1HH1 ARG 57 0.562 -1.425 9.419 464 HH12 ARG 57 2HH1 ARG 57 0.372 -1.814 11.100 465 HH21 ARG 57 1HH2 ARG 57 1.156 -5.209 10.706 466 HH22 ARG 57 2HH2 ARG 57 0.708 -3.958 11.827 467 H ALA 58 H ALA 58 -2.388 -5.164 4.776 468 HA ALA 58 HA ALA 58 -2.944 -7.787 5.637 469 HB1 ALA 58 3HB ALA 58 -4.449 -5.882 6.010 470 HB2 ALA 58 1HB ALA 58 -5.271 -7.247 5.255 471 HB3 ALA 58 2HB ALA 58 -4.814 -5.847 4.285 472 H TYR 59 H TYR 59 -3.067 -6.284 2.426 473 HA TYR 59 HA TYR 59 -4.202 -8.518 1.126 474 HB2 TYR 59 2HB TYR 59 -4.254 -6.269 0.141 475 HB3 TYR 59 3HB TYR 59 -2.502 -6.304 -0.044 476 HD1 TYR 59 HD2 TYR 59 -5.605 -8.063 -1.097 477 HD2 TYR 59 HD1 TYR 59 -1.542 -7.179 -1.992 478 HE1 TYR 59 HE2 TYR 59 -5.864 -9.130 -3.296 479 HE2 TYR 59 HE1 TYR 59 -1.786 -8.248 -4.193 480 HH TYR 59 HH TYR 59 -3.227 -9.942 -5.268 481 H GLN 60 H GLN 60 -0.834 -7.504 1.590 482 HA GLN 60 HA GLN 60 0.265 -9.545 -0.046 483 HB2 GLN 60 2HB GLN 60 1.463 -7.454 0.531 484 HB3 GLN 60 3HB GLN 60 1.586 -8.000 2.197 485 HG2 GLN 60 2HG GLN 60 2.709 -9.632 -0.048 486 HG3 GLN 60 3HG GLN 60 3.610 -8.283 0.634 487 HE21 GLN 60 1HE2 GLN 60 4.187 -11.161 0.623 488 HE22 GLN 60 2HE2 GLN 60 4.376 -11.609 2.289 489 H ASP 61 H ASP 61 -0.527 -9.349 3.370 490 HA ASP 61 HA ASP 61 0.936 -11.653 4.138 491 HB2 ASP 61 2HB ASP 61 0.163 -9.808 5.670 492 HB3 ASP 61 3HB ASP 61 -1.456 -10.490 5.568 493 H GLN 62 H GLN 62 -2.266 -11.162 2.837 494 HA GLN 62 HA GLN 62 -3.007 -13.926 3.362 495 HB2 GLN 62 2HB GLN 62 -5.155 -13.370 2.326 496 HB3 GLN 62 3HB GLN 62 -4.747 -12.247 3.614 497 HG2 GLN 62 2HG GLN 62 -4.111 -10.570 2.011 498 HG3 GLN 62 3HG GLN 62 -4.350 -11.702 0.683 499 HE21 GLN 62 1HE2 GLN 62 -5.843 -10.309 -0.279 500 HE22 GLN 62 2HE2 GLN 62 -7.455 -10.129 0.330 501 H ILE 63 H ILE 63 -1.141 -12.423 1.108 502 HA ILE 63 HA ILE 63 -1.860 -13.763 -1.283 503 HB ILE 63 HB ILE 63 0.855 -12.811 -0.332 504 HG12 ILE 63 2HG1 ILE 63 -0.800 -11.026 -0.675 505 HG13 ILE 63 3HG1 ILE 63 0.497 -10.941 -1.863 506 HG21 ILE 63 1HG2 ILE 63 1.090 -14.602 -1.988 507 HG22 ILE 63 2HG2 ILE 63 1.635 -13.045 -2.614 508 HG23 ILE 63 3HG2 ILE 63 0.069 -13.695 -3.105 509 HD11 ILE 63 3HD1 ILE 63 -0.938 -11.947 -3.529 510 HD12 ILE 63 1HD1 ILE 63 -1.689 -10.504 -2.846 511 HD13 ILE 63 2HD1 ILE 63 -2.232 -12.104 -2.341 512 H SER 64 H SER 64 0.037 -14.626 1.520 513 HA SER 64 HA SER 64 0.675 -17.247 0.390 514 HB2 SER 64 2HB SER 64 1.550 -16.052 3.030 515 HB3 SER 64 3HB SER 64 2.215 -17.482 2.239 516 HG SER 64 HG SER 64 2.288 -14.839 1.189 517 HA PRO 65 HA PRO 65 -2.893 -18.889 2.582 518 HB2 PRO 65 2HB PRO 65 -1.589 -21.462 1.914 519 HB3 PRO 65 3HB PRO 65 -3.222 -20.902 1.545 520 HG2 PRO 65 2HG PRO 65 -1.353 -21.072 -0.359 521 HG3 PRO 65 3HG PRO 65 -2.547 -19.759 -0.349 522 HD2 PRO 65 2HD PRO 65 0.327 -19.717 0.490 523 HD3 PRO 65 3HD PRO 65 -0.607 -18.492 -0.393 524 H VAL 66 H VAL 66 -2.731 -18.696 4.728 525 HA VAL 66 HA VAL 66 -0.431 -19.329 6.225 526 HB VAL 66 HB VAL 66 -1.940 -19.057 8.226 527 HG11 VAL 66 1HG1 VAL 66 -2.014 -16.882 6.136 528 HG12 VAL 66 2HG1 VAL 66 -0.702 -17.184 7.275 529 HG13 VAL 66 3HG1 VAL 66 -2.279 -16.658 7.866 530 HG21 VAL 66 3HG2 VAL 66 -4.201 -18.223 7.843 531 HG22 VAL 66 1HG2 VAL 66 -4.008 -19.848 7.187 532 HG23 VAL 66 2HG2 VAL 66 -3.999 -18.453 6.108 533 HA PRO 67 HA PRO 67 -0.470 -23.648 6.850 534 HB2 PRO 67 2HB PRO 67 -0.044 -23.048 9.736 535 HB3 PRO 67 3HB PRO 67 0.896 -24.075 8.648 536 HG2 PRO 67 2HG PRO 67 1.794 -21.675 9.359 537 HG3 PRO 67 3HG PRO 67 2.015 -22.279 7.706 538 HD2 PRO 67 2HD PRO 67 0.087 -20.252 8.744 539 HD3 PRO 67 3HD PRO 67 0.941 -20.306 7.190 540 H GLY 68 H GLY 68 -1.819 -22.302 9.875 541 HA2 GLY 68 2HA GLY 68 -4.338 -23.689 9.290 542 HA3 GLY 68 3HA GLY 68 -3.491 -24.085 10.781 543 H ALA 69 H ALA 69 -4.634 -21.241 8.978 544 HA ALA 69 HA ALA 69 -5.791 -20.221 11.456 545 HB1 ALA 69 3HB ALA 69 -3.588 -19.160 11.280 546 HB2 ALA 69 1HB ALA 69 -4.887 -17.984 11.082 547 HB3 ALA 69 2HB ALA 69 -4.005 -18.567 9.671 548 HA PRO 70 HA PRO 70 -9.046 -19.202 8.598 549 HB2 PRO 70 2HB PRO 70 -10.216 -17.435 10.566 550 HB3 PRO 70 3HB PRO 70 -10.744 -19.050 10.089 551 HG2 PRO 70 2HG PRO 70 -9.709 -18.466 12.548 552 HG3 PRO 70 3HG PRO 70 -9.597 -20.066 11.790 553 HD2 PRO 70 2HD PRO 70 -7.542 -17.886 11.931 554 HD3 PRO 70 3HD PRO 70 -7.342 -19.640 12.146 555 H LYS 71 H LYS 71 -9.320 -17.670 7.065 556 HA LYS 71 HA LYS 71 -7.873 -15.163 7.374 557 HB2 LYS 71 2HB LYS 71 -7.764 -16.472 5.231 558 HB3 LYS 71 3HB LYS 71 -9.468 -16.113 4.983 559 HG2 LYS 71 2HG LYS 71 -8.887 -13.686 5.055 560 HG3 LYS 71 3HG LYS 71 -7.190 -14.149 5.081 561 HD2 LYS 71 2HD LYS 71 -9.076 -15.053 2.919 562 HD3 LYS 71 3HD LYS 71 -8.192 -13.534 2.822 563 HE2 LYS 71 2HE LYS 71 -6.892 -15.070 1.623 564 HE3 LYS 71 3HE LYS 71 -6.088 -14.910 3.180 565 HZ1 LYS 71 3HZ LYS 71 -7.981 -17.104 2.540 566 HZ2 LYS 71 1HZ LYS 71 -6.950 -16.991 3.879 567 HZ3 LYS 71 2HZ LYS 71 -6.303 -17.225 2.335 568 H ALA 72 H ALA 72 -9.523 -14.803 9.196 569 HA ALA 72 HA ALA 72 -11.449 -12.894 8.173 570 HB1 ALA 72 3HB ALA 72 -13.347 -13.787 9.380 571 HB2 ALA 72 1HB ALA 72 -12.369 -15.130 9.977 572 HB3 ALA 72 2HB ALA 72 -12.730 -14.999 8.256 573 HA PRO 73 HA PRO 73 -9.522 -11.509 12.103 574 HB2 PRO 73 2HB PRO 73 -8.709 -9.094 10.817 575 HB3 PRO 73 3HB PRO 73 -7.686 -10.430 11.345 576 HG2 PRO 73 2HG PRO 73 -8.126 -9.701 8.707 577 HG3 PRO 73 3HG PRO 73 -7.522 -11.277 9.243 578 HD2 PRO 73 2HD PRO 73 -10.283 -10.474 8.433 579 HD3 PRO 73 3HD PRO 73 -9.420 -12.002 8.153 580 H ALA 74 H ALA 74 -9.607 -8.953 12.811 581 HA ALA 74 HA ALA 74 -10.923 -7.330 13.663 582 HB1 ALA 74 3HB ALA 74 -11.101 -6.645 11.313 583 HB2 ALA 74 1HB ALA 74 -12.558 -6.267 12.233 584 HB3 ALA 74 2HB ALA 74 -12.540 -7.653 11.140 585 H ALA 75 H ALA 75 -11.511 -8.813 15.334 586 HA ALA 75 HA ALA 75 -14.390 -9.431 15.261 587 HB1 ALA 75 3HB ALA 75 -13.068 -11.507 15.137 588 HB2 ALA 75 1HB ALA 75 -13.998 -11.398 16.631 589 HB3 ALA 75 2HB ALA 75 -12.266 -11.069 16.645 Start of MODEL 12 1 H1 MET 1 1H MET 1 12.050 -28.279 -33.831 2 H2 MET 1 2H MET 1 13.347 -29.054 -33.056 3 H3 MET 1 3H MET 1 13.538 -28.452 -34.629 4 HA MET 1 HA MET 1 14.600 -27.031 -32.986 5 HB2 MET 1 2HB MET 1 12.166 -25.837 -34.331 6 HB3 MET 1 3HB MET 1 13.495 -24.906 -33.660 7 HG2 MET 1 2HG MET 1 15.025 -25.966 -35.259 8 HG3 MET 1 3HG MET 1 13.663 -26.848 -35.951 9 HE1 MET 1 3HE MET 1 11.366 -24.584 -35.744 10 HE2 MET 1 1HE MET 1 11.585 -25.636 -37.143 11 HE3 MET 1 2HE MET 1 11.469 -23.889 -37.361 12 H GLY 2 H GLY 2 14.603 -26.474 -30.902 13 HA2 GLY 2 2HA GLY 2 12.204 -26.718 -29.316 14 HA3 GLY 2 3HA GLY 2 13.799 -26.257 -28.736 15 H HIS 3 H HIS 3 10.921 -25.142 -28.543 16 HA HIS 3 HA HIS 3 11.011 -22.617 -29.881 17 HB2 HIS 3 2HB HIS 3 8.903 -23.811 -29.224 18 HB3 HIS 3 3HB HIS 3 9.252 -23.403 -27.547 19 HD1 HIS 3 HD1 HIS 3 8.798 -20.990 -26.792 20 HD2 HIS 3 HD2 HIS 3 8.110 -21.628 -30.846 21 HE1 HIS 3 HE1 HIS 3 7.595 -18.936 -27.610 22 HE2 HIS 3 HE2 HIS 3 7.281 -19.299 -30.085 23 H HIS 4 H HIS 4 11.922 -23.763 -26.707 24 HA HIS 4 HA HIS 4 12.261 -21.186 -25.543 25 HB2 HIS 4 2HB HIS 4 13.461 -22.352 -23.738 26 HB3 HIS 4 3HB HIS 4 11.931 -23.129 -24.116 27 HD1 HIS 4 HD1 HIS 4 15.593 -23.705 -24.028 28 HD2 HIS 4 HD2 HIS 4 12.179 -25.692 -25.339 29 HE1 HIS 4 HE1 HIS 4 16.299 -26.090 -24.410 30 HE2 HIS 4 HE2 HIS 4 14.167 -27.311 -24.984 31 H HIS 5 H HIS 5 14.014 -22.860 -27.858 32 HA HIS 5 HA HIS 5 16.575 -21.647 -27.260 33 HB2 HIS 5 2HB HIS 5 16.501 -23.849 -28.369 34 HB3 HIS 5 3HB HIS 5 15.622 -23.147 -29.723 35 HD1 HIS 5 HD1 HIS 5 16.968 -22.100 -31.556 36 HD2 HIS 5 HD2 HIS 5 19.248 -23.004 -28.196 37 HE1 HIS 5 HE1 HIS 5 19.363 -21.736 -32.244 38 HE2 HIS 5 HE2 HIS 5 20.724 -22.530 -30.272 39 H HIS 6 H HIS 6 16.053 -19.459 -27.209 40 HA HIS 6 HA HIS 6 15.661 -18.244 -29.846 41 HB2 HIS 6 2HB HIS 6 13.469 -18.234 -28.726 42 HB3 HIS 6 3HB HIS 6 14.177 -17.417 -27.339 43 HD1 HIS 6 HD1 HIS 6 14.233 -14.907 -27.402 44 HD2 HIS 6 HD2 HIS 6 13.414 -16.593 -31.123 45 HE1 HIS 6 HE1 HIS 6 13.652 -12.982 -28.912 46 HE2 HIS 6 HE2 HIS 6 13.167 -14.012 -31.162 47 H HIS 7 H HIS 7 17.308 -16.961 -30.238 48 HA HIS 7 HA HIS 7 19.024 -16.021 -28.138 49 HB2 HIS 7 2HB HIS 7 19.964 -16.608 -30.314 50 HB3 HIS 7 3HB HIS 7 18.971 -15.388 -31.102 51 HD1 HIS 7 HD1 HIS 7 19.906 -13.069 -31.254 52 HD2 HIS 7 HD2 HIS 7 22.040 -15.489 -28.622 53 HE1 HIS 7 HE1 HIS 7 21.934 -11.736 -30.594 54 HE2 HIS 7 HE2 HIS 7 23.135 -13.158 -28.894 55 H HIS 8 H HIS 8 18.848 -14.190 -27.032 56 HA HIS 8 HA HIS 8 16.963 -12.169 -28.018 57 HB2 HIS 8 2HB HIS 8 16.827 -11.320 -25.740 58 HB3 HIS 8 3HB HIS 8 16.484 -13.042 -25.761 59 HD1 HIS 8 HD1 HIS 8 18.220 -14.609 -24.595 60 HD2 HIS 8 HD2 HIS 8 19.052 -10.549 -24.268 61 HE1 HIS 8 HE1 HIS 8 19.946 -14.419 -22.781 62 HE2 HIS 8 HE2 HIS 8 20.250 -11.939 -22.440 63 H SER 9 H SER 9 17.666 -10.261 -28.705 64 HA SER 9 HA SER 9 20.553 -9.765 -28.507 65 HB2 SER 9 2HB SER 9 18.530 -8.653 -30.468 66 HB3 SER 9 3HB SER 9 20.270 -8.364 -30.505 67 HG SER 9 HG SER 9 19.162 -10.198 -31.810 68 H HIS 10 H HIS 10 17.413 -8.406 -27.818 69 HA HIS 10 HA HIS 10 18.748 -6.183 -26.448 70 HB2 HIS 10 2HB HIS 10 16.962 -4.635 -27.219 71 HB3 HIS 10 3HB HIS 10 17.984 -5.224 -28.522 72 HD1 HIS 10 HD1 HIS 10 16.779 -6.064 -30.520 73 HD2 HIS 10 HD2 HIS 10 14.378 -6.106 -27.120 74 HE1 HIS 10 HE1 HIS 10 14.491 -6.765 -31.302 75 HE2 HIS 10 HE2 HIS 10 13.096 -6.913 -29.213 76 H MET 11 H MET 11 16.986 -4.938 -25.122 77 HA MET 11 HA MET 11 15.829 -6.967 -23.375 78 HB2 MET 11 2HB MET 11 17.298 -5.160 -22.478 79 HB3 MET 11 3HB MET 11 16.096 -3.981 -22.973 80 HG2 MET 11 2HG MET 11 15.434 -6.207 -21.083 81 HG3 MET 11 3HG MET 11 16.149 -4.700 -20.528 82 HE1 MET 11 3HE MET 11 14.813 -2.525 -22.376 83 HE2 MET 11 1HE MET 11 14.949 -2.362 -20.625 84 HE3 MET 11 2HE MET 11 13.399 -2.085 -21.418 85 H SER 12 H SER 12 13.728 -7.412 -23.349 86 HA SER 12 HA SER 12 11.889 -5.493 -24.613 87 HB2 SER 12 2HB SER 12 11.665 -8.509 -24.475 88 HB3 SER 12 3HB SER 12 10.470 -7.429 -25.197 89 HG SER 12 HG SER 12 12.291 -6.684 -26.553 90 H THR 13 H THR 13 11.867 -8.144 -22.214 91 HA THR 13 HA THR 13 10.203 -6.467 -20.482 92 HB THR 13 HB THR 13 8.899 -8.592 -19.904 93 HG1 THR 13 HG1 THR 13 10.207 -10.095 -20.987 94 HG21 THR 13 3HG2 THR 13 8.557 -7.349 -22.633 95 HG22 THR 13 1HG2 THR 13 7.869 -6.762 -21.122 96 HG23 THR 13 2HG2 THR 13 7.336 -8.304 -21.793 97 HA PRO 14 HA PRO 14 13.008 -8.126 -17.391 98 HB2 PRO 14 2HB PRO 14 11.060 -7.178 -15.417 99 HB3 PRO 14 3HB PRO 14 12.720 -6.644 -15.690 100 HG2 PRO 14 2HG PRO 14 10.597 -5.092 -16.293 101 HG3 PRO 14 3HG PRO 14 12.102 -5.054 -17.229 102 HD2 PRO 14 2HD PRO 14 9.513 -6.422 -17.867 103 HD3 PRO 14 3HD PRO 14 10.601 -5.509 -18.936 104 H LEU 15 H LEU 15 12.872 -10.313 -17.389 105 HA LEU 15 HA LEU 15 10.335 -11.590 -16.723 106 HB2 LEU 15 2HB LEU 15 11.873 -12.213 -18.706 107 HB3 LEU 15 3HB LEU 15 12.873 -13.000 -17.504 108 HG LEU 15 HG LEU 15 11.329 -14.523 -18.745 109 HD11 LEU 15 1HD1 LEU 15 12.211 -15.211 -16.604 110 HD12 LEU 15 2HD1 LEU 15 10.540 -15.751 -16.776 111 HD13 LEU 15 3HD1 LEU 15 10.918 -14.354 -15.765 112 HD21 LEU 15 3HD2 LEU 15 8.965 -14.517 -18.184 113 HD22 LEU 15 1HD2 LEU 15 9.439 -12.994 -18.936 114 HD23 LEU 15 2HD2 LEU 15 9.192 -13.078 -17.190 115 H THR 16 H THR 16 13.757 -12.008 -15.832 116 HA THR 16 HA THR 16 12.961 -13.241 -13.328 117 HB THR 16 HB THR 16 15.560 -13.313 -13.063 118 HG1 THR 16 HG1 THR 16 16.472 -12.261 -14.675 119 HG21 THR 16 3HG2 THR 16 15.647 -15.377 -14.369 120 HG22 THR 16 1HG2 THR 16 14.161 -14.925 -15.201 121 HG23 THR 16 2HG2 THR 16 14.134 -15.268 -13.471 122 H GLY 17 H GLY 17 12.058 -11.546 -12.199 123 HA2 GLY 17 2HA GLY 17 13.566 -10.128 -10.430 124 HA3 GLY 17 3HA GLY 17 13.436 -9.055 -11.818 125 H LYS 18 H LYS 18 11.079 -11.320 -10.451 126 HA LYS 18 HA LYS 18 9.147 -9.121 -10.383 127 HB2 LYS 18 2HB LYS 18 8.766 -12.114 -10.226 128 HB3 LYS 18 3HB LYS 18 7.460 -10.942 -10.104 129 HG2 LYS 18 2HG LYS 18 7.992 -10.137 -12.365 130 HG3 LYS 18 3HG LYS 18 9.263 -11.359 -12.481 131 HD2 LYS 18 2HD LYS 18 7.606 -13.128 -12.223 132 HD3 LYS 18 3HD LYS 18 6.331 -11.921 -12.046 133 HE2 LYS 18 2HE LYS 18 6.803 -11.103 -14.309 134 HE3 LYS 18 3HE LYS 18 8.050 -12.339 -14.487 135 HZ1 LYS 18 3HZ LYS 18 5.951 -13.000 -15.510 136 HZ2 LYS 18 1HZ LYS 18 5.164 -12.865 -14.017 137 HZ3 LYS 18 2HZ LYS 18 6.368 -14.042 -14.241 138 HA PRO 19 HA PRO 19 9.653 -9.152 -5.920 139 HB2 PRO 19 2HB PRO 19 7.841 -6.882 -5.924 140 HB3 PRO 19 3HB PRO 19 9.561 -6.921 -5.534 141 HG2 PRO 19 2HG PRO 19 8.557 -5.699 -7.754 142 HG3 PRO 19 3HG PRO 19 10.191 -6.383 -7.669 143 HD2 PRO 19 2HD PRO 19 7.712 -7.537 -8.895 144 HD3 PRO 19 3HD PRO 19 9.384 -7.558 -9.497 145 H GLY 20 H GLY 20 8.497 -10.398 -4.600 146 HA2 GLY 20 2HA GLY 20 5.606 -10.684 -5.122 147 HA3 GLY 20 3HA GLY 20 6.621 -11.895 -4.350 148 H ALA 21 H ALA 21 7.839 -9.379 -2.957 149 HA ALA 21 HA ALA 21 5.799 -9.234 -0.833 150 HB1 ALA 21 3HB ALA 21 7.699 -10.569 -0.121 151 HB2 ALA 21 1HB ALA 21 7.644 -9.052 0.779 152 HB3 ALA 21 2HB ALA 21 8.802 -9.257 -0.536 153 H LEU 22 H LEU 22 6.687 -7.308 0.743 154 HA LEU 22 HA LEU 22 6.789 -4.931 -0.999 155 HB2 LEU 22 2HB LEU 22 5.716 -5.129 1.817 156 HB3 LEU 22 3HB LEU 22 5.631 -3.731 0.765 157 HG LEU 22 HG LEU 22 4.189 -6.344 0.331 158 HD11 LEU 22 1HD1 LEU 22 2.178 -5.031 0.843 159 HD12 LEU 22 2HD1 LEU 22 3.192 -3.636 1.213 160 HD13 LEU 22 3HD1 LEU 22 3.290 -5.088 2.211 161 HD21 LEU 22 3HD2 LEU 22 3.040 -5.162 -1.470 162 HD22 LEU 22 1HD2 LEU 22 4.776 -5.248 -1.772 163 HD23 LEU 22 2HD2 LEU 22 4.055 -3.743 -1.197 164 HA PRO 23 HA PRO 23 10.427 -3.609 1.348 165 HB2 PRO 23 2HB PRO 23 10.062 -0.916 1.327 166 HB3 PRO 23 3HB PRO 23 10.656 -1.814 -0.074 167 HG2 PRO 23 2HG PRO 23 7.905 -0.793 0.496 168 HG3 PRO 23 3HG PRO 23 8.803 -0.810 -1.032 169 HD2 PRO 23 2HD PRO 23 6.865 -2.620 -0.422 170 HD3 PRO 23 3HD PRO 23 8.238 -2.991 -1.483 171 H ALA 24 H ALA 24 10.921 -2.894 3.462 172 HA ALA 24 HA ALA 24 8.634 -3.062 5.252 173 HB1 ALA 24 3HB ALA 24 10.294 -3.337 7.016 174 HB2 ALA 24 1HB ALA 24 11.585 -2.994 5.866 175 HB3 ALA 24 2HB ALA 24 10.601 -4.446 5.680 176 H ASN 25 H ASN 25 9.555 -0.581 3.638 177 HA ASN 25 HA ASN 25 9.551 1.307 5.906 178 HB2 ASN 25 2HB ASN 25 11.042 1.574 3.282 179 HB3 ASN 25 3HB ASN 25 10.910 2.846 4.491 180 HD21 ASN 25 1HD2 ASN 25 11.142 0.999 6.742 181 HD22 ASN 25 2HD2 ASN 25 12.802 0.508 6.792 182 H LEU 26 H LEU 26 7.206 0.434 4.786 183 HA LEU 26 HA LEU 26 6.300 1.769 2.509 184 HB2 LEU 26 2HB LEU 26 4.757 0.709 4.871 185 HB3 LEU 26 3HB LEU 26 4.011 1.285 3.391 186 HG LEU 26 HG LEU 26 5.898 -1.063 3.609 187 HD11 LEU 26 1HD1 LEU 26 3.739 -1.549 4.586 188 HD12 LEU 26 2HD1 LEU 26 3.913 -2.395 3.048 189 HD13 LEU 26 3HD1 LEU 26 2.921 -0.939 3.150 190 HD21 LEU 26 3HD2 LEU 26 6.121 0.091 1.471 191 HD22 LEU 26 1HD2 LEU 26 4.375 0.009 1.233 192 HD23 LEU 26 2HD2 LEU 26 5.333 -1.473 1.266 193 H ASP 27 H ASP 27 6.329 2.833 5.879 194 HA ASP 27 HA ASP 27 4.713 5.153 5.261 195 HB2 ASP 27 2HB ASP 27 4.549 4.110 7.478 196 HB3 ASP 27 3HB ASP 27 6.243 4.485 7.784 197 H ASP 28 H ASP 28 8.028 4.336 5.176 198 HA ASP 28 HA ASP 28 8.990 7.056 5.371 199 HB2 ASP 28 2HB ASP 28 10.291 4.915 5.977 200 HB3 ASP 28 3HB ASP 28 10.528 4.722 4.243 201 H MET 29 H MET 29 7.589 5.064 3.061 202 HA MET 29 HA MET 29 8.614 6.453 0.741 203 HB2 MET 29 2HB MET 29 6.358 4.452 1.016 204 HB3 MET 29 3HB MET 29 7.019 5.038 -0.503 205 HG2 MET 29 2HG MET 29 9.087 3.951 -0.128 206 HG3 MET 29 3HG MET 29 8.671 3.596 1.545 207 HE1 MET 29 3HE MET 29 6.677 1.572 -2.093 208 HE2 MET 29 1HE MET 29 8.003 2.727 -2.225 209 HE3 MET 29 2HE MET 29 6.418 3.261 -1.667 210 H LYS 30 H LYS 30 6.950 7.397 -0.803 211 HA LYS 30 HA LYS 30 5.471 9.398 0.673 212 HB2 LYS 30 2HB LYS 30 5.711 9.054 -2.318 213 HB3 LYS 30 3HB LYS 30 5.150 10.483 -1.464 214 HG2 LYS 30 2HG LYS 30 7.395 10.729 -0.469 215 HG3 LYS 30 3HG LYS 30 7.940 9.355 -1.434 216 HD2 LYS 30 2HD LYS 30 7.324 10.577 -3.480 217 HD3 LYS 30 3HD LYS 30 6.835 11.955 -2.492 218 HE2 LYS 30 2HE LYS 30 9.026 12.380 -3.331 219 HE3 LYS 30 3HE LYS 30 9.148 12.063 -1.604 220 HZ1 LYS 30 3HZ LYS 30 10.849 10.964 -3.101 221 HZ2 LYS 30 1HZ LYS 30 9.600 9.946 -3.627 222 HZ3 LYS 30 2HZ LYS 30 10.063 9.952 -1.992 223 H VAL 31 H VAL 31 3.274 10.036 -0.312 224 HA VAL 31 HA VAL 31 1.488 7.852 0.059 225 HB VAL 31 HB VAL 31 0.873 10.597 -1.065 226 HG11 VAL 31 1HG1 VAL 31 -0.901 8.962 -1.453 227 HG12 VAL 31 2HG1 VAL 31 -1.399 10.179 -0.277 228 HG13 VAL 31 3HG1 VAL 31 -0.921 8.571 0.266 229 HG21 VAL 31 3HG2 VAL 31 1.974 10.784 1.099 230 HG22 VAL 31 1HG2 VAL 31 0.839 9.627 1.795 231 HG23 VAL 31 2HG2 VAL 31 0.266 11.200 1.240 232 H ALA 32 H ALA 32 2.675 9.630 -2.740 233 HA ALA 32 HA ALA 32 1.073 8.395 -4.699 234 HB1 ALA 32 3HB ALA 32 2.711 9.198 -6.310 235 HB2 ALA 32 1HB ALA 32 3.853 9.531 -5.008 236 HB3 ALA 32 2HB ALA 32 2.351 10.449 -5.120 237 H GLU 33 H GLU 33 4.142 7.509 -3.224 238 HA GLU 33 HA GLU 33 4.826 5.366 -4.889 239 HB2 GLU 33 2HB GLU 33 5.347 5.676 -1.924 240 HB3 GLU 33 3HB GLU 33 6.180 4.559 -2.996 241 HG2 GLU 33 2HG GLU 33 6.261 7.561 -3.139 242 HG3 GLU 33 3HG GLU 33 7.540 6.506 -2.545 243 H LEU 34 H LEU 34 2.984 5.410 -1.852 244 HA LEU 34 HA LEU 34 2.430 2.675 -1.715 245 HB2 LEU 34 2HB LEU 34 0.792 4.995 -0.707 246 HB3 LEU 34 3HB LEU 34 0.552 3.323 -0.242 247 HG LEU 34 HG LEU 34 3.038 4.946 0.312 248 HD11 LEU 34 1HD1 LEU 34 0.818 4.046 2.142 249 HD12 LEU 34 2HD1 LEU 34 1.111 5.699 1.607 250 HD13 LEU 34 3HD1 LEU 34 2.289 4.883 2.634 251 HD21 LEU 34 3HD2 LEU 34 3.689 3.051 1.710 252 HD22 LEU 34 1HD2 LEU 34 3.503 2.564 0.025 253 HD23 LEU 34 2HD2 LEU 34 2.248 2.172 1.198 254 H LYS 35 H LYS 35 0.648 5.304 -3.266 255 HA LYS 35 HA LYS 35 -1.613 3.835 -4.033 256 HB2 LYS 35 2HB LYS 35 -0.289 6.231 -5.300 257 HB3 LYS 35 3HB LYS 35 -1.831 5.581 -5.841 258 HG2 LYS 35 2HG LYS 35 -2.832 6.052 -3.703 259 HG3 LYS 35 3HG LYS 35 -1.278 6.576 -3.054 260 HD2 LYS 35 2HD LYS 35 -1.222 8.423 -4.650 261 HD3 LYS 35 3HD LYS 35 -2.758 7.886 -5.337 262 HE2 LYS 35 2HE LYS 35 -3.914 8.361 -3.302 263 HE3 LYS 35 3HE LYS 35 -2.400 8.665 -2.451 264 HZ1 LYS 35 3HZ LYS 35 -3.518 10.304 -4.660 265 HZ2 LYS 35 1HZ LYS 35 -2.031 10.579 -3.893 266 HZ3 LYS 35 2HZ LYS 35 -3.474 10.729 -3.020 267 H GLN 36 H GLN 36 1.494 4.334 -5.658 268 HA GLN 36 HA GLN 36 0.864 2.875 -7.985 269 HB2 GLN 36 2HB GLN 36 3.438 3.622 -6.644 270 HB3 GLN 36 3HB GLN 36 3.446 2.525 -8.018 271 HG2 GLN 36 2HG GLN 36 2.326 5.318 -8.000 272 HG3 GLN 36 3HG GLN 36 3.867 4.823 -8.699 273 HE21 GLN 36 1HE2 GLN 36 2.812 2.308 -9.697 274 HE22 GLN 36 2HE2 GLN 36 1.826 2.696 -11.067 275 H GLU 37 H GLU 37 2.421 1.896 -4.949 276 HA GLU 37 HA GLU 37 2.886 -0.777 -5.588 277 HB2 GLU 37 2HB GLU 37 2.228 0.464 -2.911 278 HB3 GLU 37 3HB GLU 37 2.866 -1.160 -3.126 279 HG2 GLU 37 2HG GLU 37 4.276 1.333 -4.043 280 HG3 GLU 37 3HG GLU 37 4.553 0.561 -2.485 281 H LEU 38 H LEU 38 -0.012 0.817 -4.412 282 HA LEU 38 HA LEU 38 -1.525 -1.537 -3.949 283 HB2 LEU 38 2HB LEU 38 -2.330 1.319 -4.471 284 HB3 LEU 38 3HB LEU 38 -3.487 0.049 -4.122 285 HG LEU 38 HG LEU 38 -1.253 0.810 -2.245 286 HD11 LEU 38 1HD1 LEU 38 -2.767 2.706 -2.612 287 HD12 LEU 38 2HD1 LEU 38 -2.910 2.045 -0.984 288 HD13 LEU 38 3HD1 LEU 38 -4.137 1.675 -2.196 289 HD21 LEU 38 3HD2 LEU 38 -2.650 -0.377 -0.601 290 HD22 LEU 38 1HD2 LEU 38 -2.117 -1.433 -1.911 291 HD23 LEU 38 2HD2 LEU 38 -3.770 -0.818 -1.892 292 H LYS 39 H LYS 39 -1.637 0.813 -6.645 293 HA LYS 39 HA LYS 39 -3.646 -0.631 -8.010 294 HB2 LYS 39 2HB LYS 39 -3.285 0.917 -9.854 295 HB3 LYS 39 3HB LYS 39 -3.358 1.766 -8.318 296 HG2 LYS 39 2HG LYS 39 -0.913 1.935 -8.303 297 HG3 LYS 39 3HG LYS 39 -0.854 1.106 -9.861 298 HD2 LYS 39 2HD LYS 39 -2.174 3.757 -9.284 299 HD3 LYS 39 3HD LYS 39 -0.682 3.505 -10.191 300 HE2 LYS 39 2HE LYS 39 -1.925 2.213 -11.865 301 HE3 LYS 39 3HE LYS 39 -3.413 2.487 -10.960 302 HZ1 LYS 39 3HZ LYS 39 -3.196 4.846 -11.349 303 HZ2 LYS 39 1HZ LYS 39 -3.178 4.013 -12.824 304 HZ3 LYS 39 2HZ LYS 39 -1.734 4.615 -12.170 305 H LEU 40 H LEU 40 -0.159 -0.838 -8.109 306 HA LEU 40 HA LEU 40 -0.009 -2.321 -10.543 307 HB2 LEU 40 2HB LEU 40 1.897 -2.127 -8.211 308 HB3 LEU 40 3HB LEU 40 2.255 -2.989 -9.694 309 HG LEU 40 HG LEU 40 1.714 -0.024 -9.498 310 HD11 LEU 40 1HD1 LEU 40 3.828 -0.633 -8.462 311 HD12 LEU 40 2HD1 LEU 40 4.098 0.216 -9.982 312 HD13 LEU 40 3HD1 LEU 40 4.290 -1.534 -9.906 313 HD21 LEU 40 3HD2 LEU 40 2.458 0.043 -11.821 314 HD22 LEU 40 1HD2 LEU 40 1.028 -0.974 -11.641 315 HD23 LEU 40 2HD2 LEU 40 2.618 -1.714 -11.827 316 H ARG 41 H ARG 41 -1.186 -3.078 -7.495 317 HA ARG 41 HA ARG 41 -0.903 -5.966 -8.001 318 HB2 ARG 41 2HB ARG 41 -0.881 -4.478 -5.374 319 HB3 ARG 41 3HB ARG 41 -1.022 -6.227 -5.502 320 HG2 ARG 41 2HG ARG 41 1.143 -6.426 -6.442 321 HG3 ARG 41 3HG ARG 41 1.272 -4.681 -6.672 322 HD2 ARG 41 2HD ARG 41 1.276 -4.353 -4.255 323 HD3 ARG 41 3HD ARG 41 1.102 -6.090 -4.008 324 HE ARG 41 HE ARG 41 3.330 -6.397 -4.586 325 HH11 ARG 41 1HH1 ARG 41 2.378 -3.059 -5.082 326 HH12 ARG 41 2HH1 ARG 41 4.016 -2.463 -5.183 327 HH21 ARG 41 1HH2 ARG 41 5.482 -5.614 -4.705 328 HH22 ARG 41 2HH2 ARG 41 5.772 -3.926 -4.980 329 H SER 42 H SER 42 -3.001 -3.908 -8.674 330 HA SER 42 HA SER 42 -5.256 -3.856 -8.927 331 HB2 SER 42 2HB SER 42 -5.113 -6.686 -7.858 332 HB3 SER 42 3HB SER 42 -6.485 -5.978 -8.712 333 HG SER 42 HG SER 42 -4.058 -5.765 -10.021 334 H LEU 43 H LEU 43 -4.203 -2.783 -6.534 335 HA LEU 43 HA LEU 43 -6.372 -3.344 -4.623 336 HB2 LEU 43 2HB LEU 43 -3.585 -2.280 -4.245 337 HB3 LEU 43 3HB LEU 43 -4.816 -2.124 -3.008 338 HG LEU 43 HG LEU 43 -4.065 -4.808 -4.133 339 HD11 LEU 43 1HD1 LEU 43 -2.550 -5.074 -2.240 340 HD12 LEU 43 2HD1 LEU 43 -2.851 -3.407 -1.749 341 HD13 LEU 43 3HD1 LEU 43 -2.026 -3.742 -3.271 342 HD21 LEU 43 3HD2 LEU 43 -5.293 -3.905 -1.531 343 HD22 LEU 43 1HD2 LEU 43 -4.973 -5.575 -2.002 344 HD23 LEU 43 2HD2 LEU 43 -6.162 -4.622 -2.890 345 HA PRO 44 HA PRO 44 -7.974 0.739 -5.356 346 HB2 PRO 44 2HB PRO 44 -9.260 1.136 -2.990 347 HB3 PRO 44 3HB PRO 44 -9.885 0.072 -4.258 348 HG2 PRO 44 2HG PRO 44 -8.362 -0.622 -1.775 349 HG3 PRO 44 3HG PRO 44 -9.779 -1.424 -2.479 350 HD2 PRO 44 2HD PRO 44 -7.274 -2.383 -2.798 351 HD3 PRO 44 3HD PRO 44 -8.522 -2.553 -4.049 352 H VAL 45 H VAL 45 -7.373 2.827 -4.986 353 HA VAL 45 HA VAL 45 -5.162 3.176 -3.078 354 HB VAL 45 HB VAL 45 -4.543 5.161 -4.405 355 HG11 VAL 45 1HG1 VAL 45 -4.883 2.650 -6.041 356 HG12 VAL 45 2HG1 VAL 45 -3.553 2.998 -4.938 357 HG13 VAL 45 3HG1 VAL 45 -3.763 3.965 -6.397 358 HG21 VAL 45 3HG2 VAL 45 -6.754 5.782 -5.222 359 HG22 VAL 45 1HG2 VAL 45 -6.811 4.321 -6.210 360 HG23 VAL 45 2HG2 VAL 45 -5.627 5.580 -6.566 361 H SER 46 H SER 46 -8.288 3.502 -2.863 362 HA SER 46 HA SER 46 -8.540 6.255 -2.048 363 HB2 SER 46 2HB SER 46 -10.487 3.960 -1.722 364 HB3 SER 46 3HB SER 46 -10.857 5.677 -1.561 365 HG SER 46 HG SER 46 -9.780 5.546 -3.889 366 H GLY 47 H GLY 47 -7.560 6.847 -0.218 367 HA2 GLY 47 2HA GLY 47 -8.484 6.222 2.282 368 HA3 GLY 47 3HA GLY 47 -7.184 5.072 1.999 369 H THR 48 H THR 48 -6.505 6.359 4.002 370 HA THR 48 HA THR 48 -5.077 8.812 3.295 371 HB THR 48 HB THR 48 -4.564 8.868 5.770 372 HG1 THR 48 HG1 THR 48 -6.330 7.430 6.864 373 HG21 THR 48 3HG2 THR 48 -7.465 8.831 4.929 374 HG22 THR 48 1HG2 THR 48 -6.368 10.209 4.856 375 HG23 THR 48 2HG2 THR 48 -6.853 9.551 6.419 376 H LYS 49 H LYS 49 -2.864 8.825 4.768 377 HA LYS 49 HA LYS 49 -1.023 7.243 3.406 378 HB2 LYS 49 2HB LYS 49 -0.386 9.273 4.627 379 HB3 LYS 49 3HB LYS 49 -0.763 8.491 6.155 380 HG2 LYS 49 2HG LYS 49 1.592 8.464 5.914 381 HG3 LYS 49 3HG LYS 49 1.031 6.816 5.629 382 HD2 LYS 49 2HD LYS 49 1.137 7.240 3.199 383 HD3 LYS 49 3HD LYS 49 1.786 8.846 3.530 384 HE2 LYS 49 2HE LYS 49 3.053 6.203 4.238 385 HE3 LYS 49 3HE LYS 49 3.584 7.318 2.982 386 HZ1 LYS 49 3HZ LYS 49 3.719 7.671 5.921 387 HZ2 LYS 49 1HZ LYS 49 3.879 8.979 4.848 388 HZ3 LYS 49 2HZ LYS 49 4.986 7.696 4.800 389 H THR 50 H THR 50 -2.477 6.755 6.593 390 HA THR 50 HA THR 50 -1.049 4.375 7.171 391 HB THR 50 HB THR 50 -3.686 5.164 8.395 392 HG1 THR 50 HG1 THR 50 -2.698 6.965 8.937 393 HG21 THR 50 3HG2 THR 50 -2.674 4.163 10.412 394 HG22 THR 50 1HG2 THR 50 -1.241 3.751 9.469 395 HG23 THR 50 2HG2 THR 50 -2.793 3.004 9.085 396 H GLU 51 H GLU 51 -4.273 5.024 5.824 397 HA GLU 51 HA GLU 51 -5.257 2.404 5.881 398 HB2 GLU 51 2HB GLU 51 -5.855 4.649 3.951 399 HB3 GLU 51 3HB GLU 51 -6.750 3.138 4.004 400 HG2 GLU 51 2HG GLU 51 -6.543 5.166 6.215 401 HG3 GLU 51 3HG GLU 51 -7.936 4.889 5.172 402 H LEU 52 H LEU 52 -3.361 4.099 3.424 403 HA LEU 52 HA LEU 52 -3.512 2.078 1.459 404 HB2 LEU 52 2HB LEU 52 -1.303 4.098 1.830 405 HB3 LEU 52 3HB LEU 52 -1.699 3.240 0.354 406 HG LEU 52 HG LEU 52 -3.371 5.354 1.707 407 HD11 LEU 52 1HD1 LEU 52 -1.933 5.328 -0.939 408 HD12 LEU 52 2HD1 LEU 52 -1.450 6.230 0.498 409 HD13 LEU 52 3HD1 LEU 52 -2.955 6.629 -0.332 410 HD21 LEU 52 3HD2 LEU 52 -3.951 3.699 -0.742 411 HD22 LEU 52 1HD2 LEU 52 -4.862 5.127 -0.251 412 HD23 LEU 52 2HD2 LEU 52 -4.846 3.695 0.778 413 H ILE 53 H ILE 53 -1.157 2.748 4.005 414 HA ILE 53 HA ILE 53 0.757 0.812 3.340 415 HB ILE 53 HB ILE 53 0.001 1.867 6.073 416 HG12 ILE 53 2HG1 ILE 53 2.243 2.699 4.218 417 HG13 ILE 53 3HG1 ILE 53 0.730 3.578 4.410 418 HG21 ILE 53 1HG2 ILE 53 1.228 -0.215 6.274 419 HG22 ILE 53 2HG2 ILE 53 2.242 1.141 6.769 420 HG23 ILE 53 3HG2 ILE 53 2.478 0.394 5.189 421 HD11 ILE 53 3HD1 ILE 53 1.260 3.989 6.753 422 HD12 ILE 53 1HD1 ILE 53 2.528 4.597 5.689 423 HD13 ILE 53 2HD1 ILE 53 2.767 3.090 6.572 424 H GLU 54 H GLU 54 -1.939 0.638 5.647 425 HA GLU 54 HA GLU 54 -1.467 -2.068 6.333 426 HB2 GLU 54 2HB GLU 54 -3.961 -0.398 6.668 427 HB3 GLU 54 3HB GLU 54 -3.658 -1.942 7.452 428 HG2 GLU 54 2HG GLU 54 -1.965 0.518 7.813 429 HG3 GLU 54 3HG GLU 54 -3.253 0.017 8.905 430 H ARG 55 H ARG 55 -3.344 -0.537 3.813 431 HA ARG 55 HA ARG 55 -4.989 -2.703 3.093 432 HB2 ARG 55 2HB ARG 55 -5.203 -0.353 2.225 433 HB3 ARG 55 3HB ARG 55 -3.796 -0.651 1.212 434 HG2 ARG 55 2HG ARG 55 -5.493 -1.061 -0.266 435 HG3 ARG 55 3HG ARG 55 -5.196 -2.683 0.359 436 HD2 ARG 55 2HD ARG 55 -7.442 -0.798 1.028 437 HD3 ARG 55 3HD ARG 55 -7.538 -2.424 0.358 438 HE ARG 55 HE ARG 55 -6.771 -1.802 3.142 439 HH11 ARG 55 1HH1 ARG 55 -8.272 -3.906 0.766 440 HH12 ARG 55 2HH1 ARG 55 -8.807 -5.053 1.952 441 HH21 ARG 55 1HH2 ARG 55 -7.479 -3.303 4.689 442 HH22 ARG 55 2HH2 ARG 55 -8.352 -4.724 4.182 443 H LEU 56 H LEU 56 -1.745 -1.768 2.061 444 HA LEU 56 HA LEU 56 -1.288 -3.837 0.221 445 HB2 LEU 56 2HB LEU 56 0.555 -2.185 1.934 446 HB3 LEU 56 3HB LEU 56 1.163 -3.394 0.821 447 HG LEU 56 HG LEU 56 -0.557 -1.069 -0.029 448 HD11 LEU 56 1HD1 LEU 56 2.445 -1.345 -0.135 449 HD12 LEU 56 2HD1 LEU 56 1.544 -0.259 0.925 450 HD13 LEU 56 3HD1 LEU 56 1.495 -0.027 -0.822 451 HD21 LEU 56 3HD2 LEU 56 1.170 -2.994 -1.585 452 HD22 LEU 56 1HD2 LEU 56 0.259 -1.642 -2.259 453 HD23 LEU 56 2HD2 LEU 56 -0.592 -3.001 -1.524 454 H ARG 57 H ARG 57 -0.642 -3.608 3.687 455 HA ARG 57 HA ARG 57 0.724 -6.085 3.887 456 HB2 ARG 57 2HB ARG 57 -0.672 -4.549 6.084 457 HB3 ARG 57 3HB ARG 57 0.595 -5.753 6.285 458 HG2 ARG 57 2HG ARG 57 2.189 -4.324 5.183 459 HG3 ARG 57 3HG ARG 57 0.933 -3.135 4.841 460 HD2 ARG 57 2HD ARG 57 2.131 -2.341 6.721 461 HD3 ARG 57 3HD ARG 57 0.587 -2.944 7.321 462 HE ARG 57 HE ARG 57 2.810 -4.809 7.415 463 HH11 ARG 57 1HH1 ARG 57 0.811 -2.478 9.110 464 HH12 ARG 57 2HH1 ARG 57 1.342 -2.997 10.686 465 HH21 ARG 57 1HH2 ARG 57 3.509 -5.481 9.474 466 HH22 ARG 57 2HH2 ARG 57 2.881 -4.698 10.901 467 H ALA 58 H ALA 58 -2.646 -5.155 4.180 468 HA ALA 58 HA ALA 58 -3.556 -7.626 5.244 469 HB1 ALA 58 3HB ALA 58 -4.887 -5.588 5.406 470 HB2 ALA 58 1HB ALA 58 -5.785 -6.873 4.599 471 HB3 ALA 58 2HB ALA 58 -5.077 -5.564 3.653 472 H TYR 59 H TYR 59 -3.202 -6.363 1.970 473 HA TYR 59 HA TYR 59 -4.401 -8.587 0.668 474 HB2 TYR 59 2HB TYR 59 -4.290 -6.493 -0.497 475 HB3 TYR 59 3HB TYR 59 -2.540 -6.421 -0.317 476 HD1 TYR 59 HD2 TYR 59 -5.139 -8.695 -1.768 477 HD2 TYR 59 HD1 TYR 59 -1.262 -6.984 -2.148 478 HE1 TYR 59 HE2 TYR 59 -4.868 -9.808 -3.944 479 HE2 TYR 59 HE1 TYR 59 -0.981 -8.092 -4.326 480 HH TYR 59 HH TYR 59 -1.889 -10.069 -5.518 481 H GLN 60 H GLN 60 -1.018 -7.636 1.183 482 HA GLN 60 HA GLN 60 0.164 -9.744 -0.200 483 HB2 GLN 60 2HB GLN 60 1.113 -7.970 2.020 484 HB3 GLN 60 3HB GLN 60 2.136 -9.258 1.403 485 HG2 GLN 60 2HG GLN 60 0.926 -7.106 -0.309 486 HG3 GLN 60 3HG GLN 60 2.545 -7.032 0.380 487 HE21 GLN 60 1HE2 GLN 60 2.997 -9.898 0.031 488 HE22 GLN 60 2HE2 GLN 60 3.280 -10.137 -1.656 489 H ASP 61 H ASP 61 -1.003 -9.622 3.110 490 HA ASP 61 HA ASP 61 0.224 -12.032 3.959 491 HB2 ASP 61 2HB ASP 61 -0.562 -10.432 5.592 492 HB3 ASP 61 3HB ASP 61 -2.215 -10.582 4.999 493 H GLN 62 H GLN 62 -2.965 -11.313 2.583 494 HA GLN 62 HA GLN 62 -3.869 -14.015 2.975 495 HB2 GLN 62 2HB GLN 62 -5.928 -13.280 1.867 496 HB3 GLN 62 3HB GLN 62 -5.458 -12.198 3.169 497 HG2 GLN 62 2HG GLN 62 -4.485 -10.671 1.483 498 HG3 GLN 62 3HG GLN 62 -5.109 -11.733 0.221 499 HE21 GLN 62 1HE2 GLN 62 -5.911 -9.458 2.710 500 HE22 GLN 62 2HE2 GLN 62 -7.551 -9.194 2.219 501 H ILE 63 H ILE 63 -1.876 -12.644 0.688 502 HA ILE 63 HA ILE 63 -2.684 -14.084 -1.635 503 HB ILE 63 HB ILE 63 0.077 -13.111 -0.851 504 HG12 ILE 63 2HG1 ILE 63 -2.010 -11.879 -2.659 505 HG13 ILE 63 3HG1 ILE 63 -1.585 -11.309 -1.047 506 HG21 ILE 63 1HG2 ILE 63 0.218 -14.866 -2.526 507 HG22 ILE 63 2HG2 ILE 63 0.625 -13.305 -3.235 508 HG23 ILE 63 3HG2 ILE 63 -0.958 -14.023 -3.533 509 HD11 ILE 63 3HD1 ILE 63 0.685 -10.826 -1.834 510 HD12 ILE 63 1HD1 ILE 63 -0.539 -9.939 -2.741 511 HD13 ILE 63 2HD1 ILE 63 0.226 -11.360 -3.450 512 H SER 64 H SER 64 -0.916 -14.835 1.232 513 HA SER 64 HA SER 64 0.037 -16.694 2.080 514 HB2 SER 64 2HB SER 64 -1.682 -18.142 0.054 515 HB3 SER 64 3HB SER 64 -0.937 -18.854 1.486 516 HG SER 64 HG SER 64 -3.156 -17.191 1.263 517 HA PRO 65 HA PRO 65 3.064 -17.359 -1.330 518 HB2 PRO 65 2HB PRO 65 4.774 -15.326 -0.913 519 HB3 PRO 65 3HB PRO 65 3.283 -15.091 -1.828 520 HG2 PRO 65 2HG PRO 65 3.982 -14.177 0.886 521 HG3 PRO 65 3HG PRO 65 2.785 -13.528 -0.246 522 HD2 PRO 65 2HD PRO 65 2.364 -15.312 1.980 523 HD3 PRO 65 3HD PRO 65 1.158 -14.612 0.886 524 H VAL 66 H VAL 66 5.788 -16.733 -0.541 525 HA VAL 66 HA VAL 66 6.082 -18.494 1.761 526 HB VAL 66 HB VAL 66 8.550 -18.290 1.272 527 HG11 VAL 66 1HG1 VAL 66 7.255 -20.226 0.600 528 HG12 VAL 66 2HG1 VAL 66 8.442 -19.831 -0.646 529 HG13 VAL 66 3HG1 VAL 66 6.746 -19.400 -0.873 530 HG21 VAL 66 3HG2 VAL 66 7.527 -16.970 -1.245 531 HG22 VAL 66 1HG2 VAL 66 9.182 -17.523 -0.981 532 HG23 VAL 66 2HG2 VAL 66 8.520 -16.213 0.000 533 HA PRO 67 HA PRO 67 6.295 -14.678 4.100 534 HB2 PRO 67 2HB PRO 67 5.900 -16.262 6.475 535 HB3 PRO 67 3HB PRO 67 4.750 -15.196 5.666 536 HG2 PRO 67 2HG PRO 67 4.505 -17.932 5.785 537 HG3 PRO 67 3HG PRO 67 3.767 -16.917 4.535 538 HD2 PRO 67 2HD PRO 67 6.266 -18.558 4.415 539 HD3 PRO 67 3HD PRO 67 5.024 -18.303 3.170 540 H GLY 68 H GLY 68 7.439 -17.350 6.137 541 HA2 GLY 68 2HA GLY 68 9.906 -15.845 6.627 542 HA3 GLY 68 3HA GLY 68 9.298 -17.187 7.591 543 H ALA 69 H ALA 69 10.175 -16.650 4.190 544 HA ALA 69 HA ALA 69 12.199 -18.717 4.339 545 HB1 ALA 69 3HB ALA 69 10.160 -20.011 3.895 546 HB2 ALA 69 1HB ALA 69 11.273 -20.058 2.527 547 HB3 ALA 69 2HB ALA 69 9.848 -19.020 2.468 548 HA PRO 70 HA PRO 70 13.572 -15.483 1.497 549 HB2 PRO 70 2HB PRO 70 16.210 -15.942 1.815 550 HB3 PRO 70 3HB PRO 70 15.260 -15.061 3.015 551 HG2 PRO 70 2HG PRO 70 16.157 -17.910 3.031 552 HG3 PRO 70 3HG PRO 70 16.122 -16.737 4.362 553 HD2 PRO 70 2HD PRO 70 14.214 -18.666 3.984 554 HD3 PRO 70 3HD PRO 70 13.907 -17.123 4.803 555 H LYS 71 H LYS 71 15.282 -15.590 -0.327 556 HA LYS 71 HA LYS 71 14.611 -17.822 -2.000 557 HB2 LYS 71 2HB LYS 71 16.579 -15.565 -2.442 558 HB3 LYS 71 3HB LYS 71 16.070 -16.716 -3.668 559 HG2 LYS 71 2HG LYS 71 13.759 -15.894 -3.445 560 HG3 LYS 71 3HG LYS 71 14.320 -14.705 -2.268 561 HD2 LYS 71 2HD LYS 71 15.787 -13.719 -3.959 562 HD3 LYS 71 3HD LYS 71 15.242 -14.916 -5.134 563 HE2 LYS 71 2HE LYS 71 12.949 -14.053 -4.923 564 HE3 LYS 71 3HE LYS 71 13.525 -12.834 -3.788 565 HZ1 LYS 71 3HZ LYS 71 14.360 -13.101 -6.626 566 HZ2 LYS 71 1HZ LYS 71 14.948 -11.939 -5.539 567 HZ3 LYS 71 2HZ LYS 71 13.317 -11.914 -6.009 568 H ALA 72 H ALA 72 15.583 -19.740 -1.889 569 HA ALA 72 HA ALA 72 18.384 -19.831 -0.989 570 HB1 ALA 72 3HB ALA 72 16.769 -20.917 0.536 571 HB2 ALA 72 1HB ALA 72 17.959 -22.044 -0.119 572 HB3 ALA 72 2HB ALA 72 16.319 -22.017 -0.768 573 HA PRO 73 HA PRO 73 18.751 -21.448 -5.216 574 HB2 PRO 73 2HB PRO 73 21.306 -20.207 -5.410 575 HB3 PRO 73 3HB PRO 73 19.802 -19.686 -6.164 576 HG2 PRO 73 2HG PRO 73 21.163 -18.310 -4.169 577 HG3 PRO 73 3HG PRO 73 19.464 -18.064 -4.613 578 HD2 PRO 73 2HD PRO 73 20.635 -19.629 -2.350 579 HD3 PRO 73 3HD PRO 73 19.151 -18.651 -2.403 580 H ALA 74 H ALA 74 18.966 -23.516 -4.057 581 HA ALA 74 HA ALA 74 21.613 -24.602 -4.384 582 HB1 ALA 74 3HB ALA 74 21.851 -25.444 -2.105 583 HB2 ALA 74 1HB ALA 74 20.365 -24.619 -1.633 584 HB3 ALA 74 2HB ALA 74 21.778 -23.682 -2.116 585 H ALA 75 H ALA 75 21.628 -26.969 -4.014 586 HA ALA 75 HA ALA 75 18.955 -28.175 -4.125 587 HB1 ALA 75 3HB ALA 75 19.789 -28.005 -6.417 588 HB2 ALA 75 1HB ALA 75 19.699 -29.686 -5.898 589 HB3 ALA 75 2HB ALA 75 21.257 -28.863 -5.953 Start of MODEL 13 1 H1 MET 1 1H MET 1 39.675 -41.774 -17.407 2 H2 MET 1 2H MET 1 40.348 -42.742 -16.190 3 H3 MET 1 3H MET 1 41.303 -41.585 -16.985 4 HA MET 1 HA MET 1 40.688 -40.829 -14.789 5 HB2 MET 1 2HB MET 1 39.839 -38.646 -15.400 6 HB3 MET 1 3HB MET 1 40.974 -39.192 -16.628 7 HG2 MET 1 2HG MET 1 39.191 -39.737 -18.127 8 HG3 MET 1 3HG MET 1 37.986 -39.422 -16.882 9 HE1 MET 1 3HE MET 1 40.718 -37.843 -19.217 10 HE2 MET 1 1HE MET 1 41.231 -37.291 -17.620 11 HE3 MET 1 2HE MET 1 40.604 -36.133 -18.796 12 H GLY 2 H GLY 2 38.297 -42.551 -16.332 13 HA2 GLY 2 2HA GLY 2 36.325 -43.330 -15.315 14 HA3 GLY 2 3HA GLY 2 36.373 -41.957 -14.214 15 H HIS 3 H HIS 3 34.026 -41.964 -14.928 16 HA HIS 3 HA HIS 3 33.767 -40.112 -17.179 17 HB2 HIS 3 2HB HIS 3 32.104 -42.619 -16.833 18 HB3 HIS 3 3HB HIS 3 31.740 -41.330 -17.976 19 HD1 HIS 3 HD1 HIS 3 33.795 -44.349 -17.531 20 HD2 HIS 3 HD2 HIS 3 33.664 -41.086 -20.108 21 HE1 HIS 3 HE1 HIS 3 35.237 -44.972 -19.493 22 HE2 HIS 3 HE2 HIS 3 35.347 -42.888 -20.902 23 H HIS 4 H HIS 4 31.131 -39.659 -17.203 24 HA HIS 4 HA HIS 4 30.758 -38.260 -14.716 25 HB2 HIS 4 2HB HIS 4 28.996 -38.515 -17.163 26 HB3 HIS 4 3HB HIS 4 28.599 -37.517 -15.768 27 HD1 HIS 4 HD1 HIS 4 29.475 -35.176 -15.791 28 HD2 HIS 4 HD2 HIS 4 31.420 -37.624 -18.535 29 HE1 HIS 4 HE1 HIS 4 30.972 -33.653 -17.124 30 HE2 HIS 4 HE2 HIS 4 31.954 -35.124 -18.919 31 H HIS 5 H HIS 5 30.183 -39.383 -13.002 32 HA HIS 5 HA HIS 5 28.447 -41.690 -13.193 33 HB2 HIS 5 2HB HIS 5 29.685 -40.282 -10.816 34 HB3 HIS 5 3HB HIS 5 28.692 -41.730 -10.697 35 HD1 HIS 5 HD1 HIS 5 29.738 -43.956 -11.481 36 HD2 HIS 5 HD2 HIS 5 32.300 -40.693 -11.727 37 HE1 HIS 5 HE1 HIS 5 32.038 -44.925 -11.795 38 HE2 HIS 5 HE2 HIS 5 33.539 -42.932 -12.131 39 H HIS 6 H HIS 6 28.279 -38.328 -12.503 40 HA HIS 6 HA HIS 6 25.471 -38.567 -11.657 41 HB2 HIS 6 2HB HIS 6 27.000 -37.340 -10.128 42 HB3 HIS 6 3HB HIS 6 27.350 -36.200 -11.422 43 HD1 HIS 6 HD1 HIS 6 25.740 -34.288 -11.745 44 HD2 HIS 6 HD2 HIS 6 24.315 -37.179 -9.121 45 HE1 HIS 6 HE1 HIS 6 23.679 -33.301 -10.703 46 HE2 HIS 6 HE2 HIS 6 22.993 -34.969 -8.940 47 H HIS 7 H HIS 7 23.875 -37.714 -12.858 48 HA HIS 7 HA HIS 7 24.214 -37.044 -15.560 49 HB2 HIS 7 2HB HIS 7 22.084 -37.851 -14.660 50 HB3 HIS 7 3HB HIS 7 21.928 -36.406 -13.669 51 HD1 HIS 7 HD1 HIS 7 21.595 -37.635 -17.189 52 HD2 HIS 7 HD2 HIS 7 20.972 -34.143 -15.013 53 HE1 HIS 7 HE1 HIS 7 20.271 -36.118 -18.699 54 HE2 HIS 7 HE2 HIS 7 19.847 -34.029 -17.346 55 H HIS 8 H HIS 8 24.790 -35.183 -16.557 56 HA HIS 8 HA HIS 8 25.643 -32.978 -14.963 57 HB2 HIS 8 2HB HIS 8 26.372 -31.925 -16.978 58 HB3 HIS 8 3HB HIS 8 26.714 -33.641 -17.138 59 HD1 HIS 8 HD1 HIS 8 25.180 -30.849 -18.855 60 HD2 HIS 8 HD2 HIS 8 24.743 -34.988 -18.890 61 HE1 HIS 8 HE1 HIS 8 23.989 -31.392 -21.004 62 HE2 HIS 8 HE2 HIS 8 23.971 -33.912 -21.114 63 H SER 9 H SER 9 24.641 -31.179 -14.390 64 HA SER 9 HA SER 9 21.810 -31.085 -14.621 65 HB2 SER 9 2HB SER 9 23.766 -29.075 -13.495 66 HB3 SER 9 3HB SER 9 22.017 -29.013 -13.285 67 HG SER 9 HG SER 9 22.431 -31.334 -12.488 68 H HIS 10 H HIS 10 20.561 -30.088 -16.030 69 HA HIS 10 HA HIS 10 21.827 -28.313 -17.998 70 HB2 HIS 10 2HB HIS 10 20.864 -30.238 -19.050 71 HB3 HIS 10 3HB HIS 10 19.363 -30.057 -18.154 72 HD1 HIS 10 HD1 HIS 10 21.311 -28.403 -20.961 73 HD2 HIS 10 HD2 HIS 10 17.470 -28.501 -19.362 74 HE1 HIS 10 HE1 HIS 10 19.866 -27.144 -22.581 75 HE2 HIS 10 HE2 HIS 10 17.519 -27.445 -21.720 76 H MET 11 H MET 11 21.639 -26.297 -17.244 77 HA MET 11 HA MET 11 18.917 -25.280 -16.901 78 HB2 MET 11 2HB MET 11 19.878 -25.650 -14.626 79 HB3 MET 11 3HB MET 11 21.187 -24.549 -15.039 80 HG2 MET 11 2HG MET 11 19.510 -22.759 -15.386 81 HG3 MET 11 3HG MET 11 18.260 -23.874 -14.841 82 HE1 MET 11 3HE MET 11 21.943 -23.421 -13.521 83 HE2 MET 11 1HE MET 11 21.691 -22.298 -12.183 84 HE3 MET 11 2HE MET 11 21.407 -21.770 -13.842 85 H SER 12 H SER 12 19.039 -24.352 -18.914 86 HA SER 12 HA SER 12 20.900 -22.077 -19.100 87 HB2 SER 12 2HB SER 12 21.555 -23.932 -20.653 88 HB3 SER 12 3HB SER 12 19.981 -23.785 -21.433 89 HG SER 12 HG SER 12 21.217 -22.502 -22.650 90 H THR 13 H THR 13 19.249 -20.784 -18.209 91 HA THR 13 HA THR 13 17.150 -20.024 -20.098 92 HB THR 13 HB THR 13 15.540 -19.967 -18.060 93 HG1 THR 13 HG1 THR 13 17.717 -21.216 -17.018 94 HG21 THR 13 3HG2 THR 13 15.212 -21.434 -19.995 95 HG22 THR 13 1HG2 THR 13 14.781 -22.256 -18.494 96 HG23 THR 13 2HG2 THR 13 16.314 -22.616 -19.289 97 HA PRO 14 HA PRO 14 17.901 -15.907 -18.479 98 HB2 PRO 14 2HB PRO 14 15.306 -14.969 -18.339 99 HB3 PRO 14 3HB PRO 14 16.291 -14.972 -19.807 100 HG2 PRO 14 2HG PRO 14 14.184 -16.898 -18.929 101 HG3 PRO 14 3HG PRO 14 14.516 -16.258 -20.549 102 HD2 PRO 14 2HD PRO 14 15.273 -18.734 -19.813 103 HD3 PRO 14 3HD PRO 14 16.260 -17.743 -20.908 104 H LEU 15 H LEU 15 18.511 -15.758 -16.419 105 HA LEU 15 HA LEU 15 16.954 -16.948 -14.300 106 HB2 LEU 15 2HB LEU 15 19.494 -16.943 -14.479 107 HB3 LEU 15 3HB LEU 15 19.436 -15.254 -14.023 108 HG LEU 15 HG LEU 15 18.268 -17.411 -12.269 109 HD11 LEU 15 1HD1 LEU 15 20.606 -17.963 -12.654 110 HD12 LEU 15 2HD1 LEU 15 20.377 -17.350 -11.015 111 HD13 LEU 15 3HD1 LEU 15 21.077 -16.309 -12.254 112 HD21 LEU 15 3HD2 LEU 15 18.617 -15.743 -10.515 113 HD22 LEU 15 1HD2 LEU 15 17.577 -15.117 -11.793 114 HD23 LEU 15 2HD2 LEU 15 19.266 -14.617 -11.709 115 H THR 16 H THR 16 15.199 -15.918 -13.651 116 HA THR 16 HA THR 16 15.335 -13.002 -13.281 117 HB THR 16 HB THR 16 12.804 -13.085 -13.597 118 HG1 THR 16 HG1 THR 16 12.133 -14.904 -14.943 119 HG21 THR 16 3HG2 THR 16 14.580 -13.747 -15.949 120 HG22 THR 16 1HG2 THR 16 14.306 -12.141 -15.271 121 HG23 THR 16 2HG2 THR 16 12.980 -13.010 -16.043 122 H GLY 17 H GLY 17 15.481 -12.562 -11.191 123 HA2 GLY 17 2HA GLY 17 13.966 -14.234 -9.287 124 HA3 GLY 17 3HA GLY 17 15.363 -13.243 -8.879 125 H LYS 18 H LYS 18 11.941 -13.286 -9.470 126 HA LYS 18 HA LYS 18 11.767 -10.438 -8.769 127 HB2 LYS 18 2HB LYS 18 10.710 -11.186 -10.904 128 HB3 LYS 18 3HB LYS 18 9.603 -12.167 -9.949 129 HG2 LYS 18 2HG LYS 18 8.659 -10.239 -8.920 130 HG3 LYS 18 3HG LYS 18 9.888 -9.192 -9.628 131 HD2 LYS 18 2HD LYS 18 8.090 -8.824 -11.020 132 HD3 LYS 18 3HD LYS 18 8.971 -10.079 -11.887 133 HE2 LYS 18 2HE LYS 18 6.626 -10.564 -10.056 134 HE3 LYS 18 3HE LYS 18 6.532 -10.451 -11.805 135 HZ1 LYS 18 3HZ LYS 18 6.605 -12.718 -11.358 136 HZ2 LYS 18 1HZ LYS 18 7.809 -12.555 -10.174 137 HZ3 LYS 18 2HZ LYS 18 8.196 -12.351 -11.813 138 HA PRO 19 HA PRO 19 10.299 -12.022 -4.832 139 HB2 PRO 19 2HB PRO 19 10.452 -9.294 -3.881 140 HB3 PRO 19 3HB PRO 19 11.480 -10.663 -3.459 141 HG2 PRO 19 2HG PRO 19 12.345 -8.506 -4.892 142 HG3 PRO 19 3HG PRO 19 13.060 -10.123 -5.018 143 HD2 PRO 19 2HD PRO 19 11.099 -8.770 -6.830 144 HD3 PRO 19 3HD PRO 19 12.490 -9.796 -7.239 145 H GLY 20 H GLY 20 8.169 -12.435 -4.747 146 HA2 GLY 20 2HA GLY 20 6.244 -10.354 -5.416 147 HA3 GLY 20 3HA GLY 20 5.881 -12.039 -5.064 148 H ALA 21 H ALA 21 7.208 -9.157 -3.463 149 HA ALA 21 HA ALA 21 5.427 -9.601 -1.199 150 HB1 ALA 21 3HB ALA 21 7.207 -9.548 0.443 151 HB2 ALA 21 1HB ALA 21 8.417 -9.409 -0.833 152 HB3 ALA 21 2HB ALA 21 7.468 -10.885 -0.675 153 H LEU 22 H LEU 22 6.421 -7.777 0.553 154 HA LEU 22 HA LEU 22 6.306 -5.254 -0.959 155 HB2 LEU 22 2HB LEU 22 5.475 -5.862 1.880 156 HB3 LEU 22 3HB LEU 22 5.454 -4.267 1.157 157 HG LEU 22 HG LEU 22 3.771 -6.613 0.271 158 HD11 LEU 22 1HD1 LEU 22 3.027 -4.088 1.742 159 HD12 LEU 22 2HD1 LEU 22 3.114 -5.701 2.447 160 HD13 LEU 22 3HD1 LEU 22 1.915 -5.345 1.203 161 HD21 LEU 22 3HD2 LEU 22 3.793 -3.738 -0.645 162 HD22 LEU 22 1HD2 LEU 22 2.630 -4.968 -1.134 163 HD23 LEU 22 2HD2 LEU 22 4.325 -5.130 -1.584 164 HA PRO 23 HA PRO 23 10.236 -4.159 0.904 165 HB2 PRO 23 2HB PRO 23 10.052 -1.462 0.860 166 HB3 PRO 23 3HB PRO 23 10.321 -2.415 -0.604 167 HG2 PRO 23 2HG PRO 23 7.784 -1.212 0.429 168 HG3 PRO 23 3HG PRO 23 8.402 -1.271 -1.232 169 HD2 PRO 23 2HD PRO 23 6.499 -2.973 -0.280 170 HD3 PRO 23 3HD PRO 23 7.636 -3.403 -1.574 171 H ALA 24 H ALA 24 11.069 -2.818 2.769 172 HA ALA 24 HA ALA 24 9.249 -3.199 5.009 173 HB1 ALA 24 3HB ALA 24 12.165 -2.437 4.984 174 HB2 ALA 24 1HB ALA 24 11.534 -4.077 5.141 175 HB3 ALA 24 2HB ALA 24 11.219 -2.886 6.404 176 H ASN 25 H ASN 25 10.307 -0.678 3.013 177 HA ASN 25 HA ASN 25 10.151 1.378 5.069 178 HB2 ASN 25 2HB ASN 25 10.891 1.481 2.139 179 HB3 ASN 25 3HB ASN 25 10.827 2.902 3.175 180 HD21 ASN 25 1HD2 ASN 25 12.999 3.347 2.910 181 HD22 ASN 25 2HD2 ASN 25 14.240 2.387 3.645 182 H LEU 26 H LEU 26 7.716 0.006 4.418 183 HA LEU 26 HA LEU 26 6.098 1.310 2.547 184 HB2 LEU 26 2HB LEU 26 5.332 -0.094 5.102 185 HB3 LEU 26 3HB LEU 26 4.195 0.393 3.861 186 HG LEU 26 HG LEU 26 6.439 -1.591 3.475 187 HD11 LEU 26 1HD1 LEU 26 4.677 -3.265 3.392 188 HD12 LEU 26 2HD1 LEU 26 3.468 -2.027 3.722 189 HD13 LEU 26 3HD1 LEU 26 4.670 -2.433 4.946 190 HD21 LEU 26 3HD2 LEU 26 5.294 -2.065 1.342 191 HD22 LEU 26 1HD2 LEU 26 5.928 -0.420 1.420 192 HD23 LEU 26 2HD2 LEU 26 4.204 -0.712 1.652 193 H ASP 27 H ASP 27 6.800 2.098 5.903 194 HA ASP 27 HA ASP 27 4.771 4.167 5.973 195 HB2 ASP 27 2HB ASP 27 5.485 4.541 8.266 196 HB3 ASP 27 3HB ASP 27 5.247 2.821 7.985 197 H ASP 28 H ASP 28 8.015 3.881 5.050 198 HA ASP 28 HA ASP 28 8.729 6.650 5.521 199 HB2 ASP 28 2HB ASP 28 10.499 5.005 5.674 200 HB3 ASP 28 3HB ASP 28 10.148 4.412 4.053 201 H MET 29 H MET 29 7.686 4.604 2.892 202 HA MET 29 HA MET 29 8.123 6.360 0.745 203 HB2 MET 29 2HB MET 29 6.055 4.184 1.098 204 HB3 MET 29 3HB MET 29 6.427 4.968 -0.432 205 HG2 MET 29 2HG MET 29 8.597 4.041 -0.490 206 HG3 MET 29 3HG MET 29 8.499 3.528 1.193 207 HE1 MET 29 3HE MET 29 6.079 1.589 -2.230 208 HE2 MET 29 1HE MET 29 7.247 2.889 -2.475 209 HE3 MET 29 2HE MET 29 5.745 3.205 -1.604 210 H LYS 30 H LYS 30 6.549 7.572 -0.481 211 HA LYS 30 HA LYS 30 4.931 9.261 1.155 212 HB2 LYS 30 2HB LYS 30 4.740 9.071 -1.840 213 HB3 LYS 30 3HB LYS 30 4.436 10.467 -0.821 214 HG2 LYS 30 2HG LYS 30 6.788 10.693 -0.367 215 HG3 LYS 30 3HG LYS 30 7.132 9.221 -1.280 216 HD2 LYS 30 2HD LYS 30 5.985 10.375 -3.243 217 HD3 LYS 30 3HD LYS 30 6.120 11.858 -2.298 218 HE2 LYS 30 2HE LYS 30 7.975 11.714 -3.807 219 HE3 LYS 30 3HE LYS 30 8.556 11.494 -2.160 220 HZ1 LYS 30 3HZ LYS 30 8.739 9.163 -2.499 221 HZ2 LYS 30 1HZ LYS 30 9.517 9.927 -3.799 222 HZ3 LYS 30 2HZ LYS 30 7.975 9.248 -4.013 223 H VAL 31 H VAL 31 2.634 9.788 0.214 224 HA VAL 31 HA VAL 31 0.992 7.483 0.591 225 HB VAL 31 HB VAL 31 0.184 10.188 -0.507 226 HG11 VAL 31 1HG1 VAL 31 -1.476 8.457 -0.922 227 HG12 VAL 31 2HG1 VAL 31 -2.055 9.592 0.298 228 HG13 VAL 31 3HG1 VAL 31 -1.453 8.007 0.783 229 HG21 VAL 31 3HG2 VAL 31 -0.452 10.744 1.788 230 HG22 VAL 31 1HG2 VAL 31 1.276 10.410 1.661 231 HG23 VAL 31 2HG2 VAL 31 0.192 9.198 2.344 232 H ALA 32 H ALA 32 1.883 9.473 -2.207 233 HA ALA 32 HA ALA 32 0.383 8.054 -4.126 234 HB1 ALA 32 3HB ALA 32 1.784 9.147 -5.784 235 HB2 ALA 32 1HB ALA 32 2.938 9.604 -4.530 236 HB3 ALA 32 2HB ALA 32 1.313 10.287 -4.524 237 H GLU 33 H GLU 33 3.583 7.538 -2.772 238 HA GLU 33 HA GLU 33 4.543 5.661 -4.631 239 HB2 GLU 33 2HB GLU 33 5.137 5.846 -1.673 240 HB3 GLU 33 3HB GLU 33 6.082 4.952 -2.854 241 HG2 GLU 33 2HG GLU 33 5.663 7.925 -2.897 242 HG3 GLU 33 3HG GLU 33 7.069 7.118 -2.210 243 H LEU 34 H LEU 34 2.661 5.270 -1.657 244 HA LEU 34 HA LEU 34 2.573 2.441 -1.728 245 HB2 LEU 34 2HB LEU 34 0.606 4.374 -0.492 246 HB3 LEU 34 3HB LEU 34 0.724 2.662 -0.134 247 HG LEU 34 HG LEU 34 2.830 4.740 0.474 248 HD11 LEU 34 1HD1 LEU 34 0.954 3.209 2.267 249 HD12 LEU 34 2HD1 LEU 34 0.906 4.942 1.930 250 HD13 LEU 34 3HD1 LEU 34 2.268 4.250 2.815 251 HD21 LEU 34 3HD2 LEU 34 2.758 1.790 1.094 252 HD22 LEU 34 1HD2 LEU 34 3.976 2.932 1.658 253 HD23 LEU 34 2HD2 LEU 34 3.827 2.580 -0.065 254 H LYS 35 H LYS 35 0.498 4.975 -3.032 255 HA LYS 35 HA LYS 35 -1.561 3.327 -4.004 256 HB2 LYS 35 2HB LYS 35 -0.562 6.011 -4.965 257 HB3 LYS 35 3HB LYS 35 -2.022 5.241 -5.571 258 HG2 LYS 35 2HG LYS 35 -2.991 5.298 -3.336 259 HG3 LYS 35 3HG LYS 35 -1.515 6.032 -2.711 260 HD2 LYS 35 2HD LYS 35 -1.868 8.006 -4.033 261 HD3 LYS 35 3HD LYS 35 -3.245 7.262 -4.853 262 HE2 LYS 35 2HE LYS 35 -4.440 7.146 -2.718 263 HE3 LYS 35 3HE LYS 35 -3.071 7.910 -1.911 264 HZ1 LYS 35 3HZ LYS 35 -3.481 9.924 -2.959 265 HZ2 LYS 35 1HZ LYS 35 -5.037 9.367 -2.593 266 HZ3 LYS 35 2HZ LYS 35 -4.435 9.234 -4.173 267 H GLN 36 H GLN 36 1.594 4.130 -5.285 268 HA GLN 36 HA GLN 36 1.251 3.230 -7.921 269 HB2 GLN 36 2HB GLN 36 3.720 3.179 -6.170 270 HB3 GLN 36 3HB GLN 36 3.721 2.887 -7.905 271 HG2 GLN 36 2HG GLN 36 2.784 5.436 -6.608 272 HG3 GLN 36 3HG GLN 36 4.400 5.180 -7.263 273 HE21 GLN 36 1HE2 GLN 36 3.587 3.649 -9.517 274 HE22 GLN 36 2HE2 GLN 36 2.792 4.728 -10.622 275 H GLU 37 H GLU 37 2.340 1.503 -5.011 276 HA GLU 37 HA GLU 37 2.647 -1.021 -6.220 277 HB2 GLU 37 2HB GLU 37 2.009 -0.289 -3.356 278 HB3 GLU 37 3HB GLU 37 2.420 -1.911 -3.892 279 HG2 GLU 37 2HG GLU 37 4.187 0.518 -4.051 280 HG3 GLU 37 3HG GLU 37 4.339 -0.821 -2.912 281 H LEU 38 H LEU 38 -0.075 0.508 -4.588 282 HA LEU 38 HA LEU 38 -1.836 -1.641 -4.544 283 HB2 LEU 38 2HB LEU 38 -2.397 1.309 -4.812 284 HB3 LEU 38 3HB LEU 38 -3.627 0.103 -4.490 285 HG LEU 38 HG LEU 38 -1.267 0.608 -2.682 286 HD11 LEU 38 1HD1 LEU 38 -2.885 1.758 -1.228 287 HD12 LEU 38 2HD1 LEU 38 -4.095 1.630 -2.507 288 HD13 LEU 38 3HD1 LEU 38 -2.640 2.593 -2.763 289 HD21 LEU 38 3HD2 LEU 38 -2.257 -1.625 -2.495 290 HD22 LEU 38 1HD2 LEU 38 -3.846 -0.903 -2.252 291 HD23 LEU 38 2HD2 LEU 38 -2.571 -0.655 -1.054 292 H LYS 39 H LYS 39 -1.644 0.953 -7.002 293 HA LYS 39 HA LYS 39 -3.710 -0.154 -8.578 294 HB2 LYS 39 2HB LYS 39 -3.031 1.464 -10.289 295 HB3 LYS 39 3HB LYS 39 -3.146 2.205 -8.701 296 HG2 LYS 39 2HG LYS 39 -0.656 1.948 -8.510 297 HG3 LYS 39 3HG LYS 39 -0.654 1.471 -10.210 298 HD2 LYS 39 2HD LYS 39 -1.702 4.080 -9.110 299 HD3 LYS 39 3HD LYS 39 -0.155 3.859 -9.933 300 HE2 LYS 39 2HE LYS 39 -1.297 3.208 -11.969 301 HE3 LYS 39 3HE LYS 39 -2.860 3.302 -11.153 302 HZ1 LYS 39 3HZ LYS 39 -2.581 5.652 -10.873 303 HZ2 LYS 39 1HZ LYS 39 -2.351 5.273 -12.511 304 HZ3 LYS 39 2HZ LYS 39 -1.015 5.601 -11.518 305 H LEU 40 H LEU 40 -0.227 -0.645 -8.589 306 HA LEU 40 HA LEU 40 -0.148 -1.968 -11.115 307 HB2 LEU 40 2HB LEU 40 1.784 -1.989 -8.798 308 HB3 LEU 40 3HB LEU 40 2.095 -2.776 -10.333 309 HG LEU 40 HG LEU 40 1.691 0.187 -9.928 310 HD11 LEU 40 1HD1 LEU 40 3.817 -0.629 -9.047 311 HD12 LEU 40 2HD1 LEU 40 4.055 0.362 -10.486 312 HD13 LEU 40 3HD1 LEU 40 4.168 -1.394 -10.597 313 HD21 LEU 40 3HD2 LEU 40 2.343 0.375 -12.284 314 HD22 LEU 40 1HD2 LEU 40 0.852 -0.550 -12.094 315 HD23 LEU 40 2HD2 LEU 40 2.373 -1.385 -12.412 316 H ARG 41 H ARG 41 -0.851 -2.985 -7.860 317 HA ARG 41 HA ARG 41 -0.776 -5.802 -8.699 318 HB2 ARG 41 2HB ARG 41 -1.036 -4.656 -5.913 319 HB3 ARG 41 3HB ARG 41 -0.824 -6.351 -6.324 320 HG2 ARG 41 2HG ARG 41 1.388 -5.841 -7.247 321 HG3 ARG 41 3HG ARG 41 1.177 -4.149 -6.790 322 HD2 ARG 41 2HD ARG 41 0.803 -5.026 -4.417 323 HD3 ARG 41 3HD ARG 41 1.450 -6.555 -5.005 324 HE ARG 41 HE ARG 41 2.982 -4.051 -5.188 325 HH11 ARG 41 1HH1 ARG 41 2.768 -7.443 -4.314 326 HH12 ARG 41 2HH1 ARG 41 4.400 -7.506 -3.726 327 HH21 ARG 41 1HH2 ARG 41 5.108 -4.137 -4.436 328 HH22 ARG 41 2HH2 ARG 41 5.737 -5.638 -3.804 329 H SER 42 H SER 42 -2.888 -3.547 -9.053 330 HA SER 42 HA SER 42 -5.136 -3.425 -9.293 331 HB2 SER 42 2HB SER 42 -5.125 -6.397 -8.722 332 HB3 SER 42 3HB SER 42 -6.414 -5.483 -9.508 333 HG SER 42 HG SER 42 -3.907 -5.216 -10.639 334 H LEU 43 H LEU 43 -4.946 -2.177 -7.292 335 HA LEU 43 HA LEU 43 -6.662 -3.274 -5.193 336 HB2 LEU 43 2HB LEU 43 -3.919 -2.085 -4.796 337 HB3 LEU 43 3HB LEU 43 -5.098 -2.171 -3.503 338 HG LEU 43 HG LEU 43 -4.291 -4.664 -4.962 339 HD11 LEU 43 1HD1 LEU 43 -2.543 -5.023 -3.293 340 HD12 LEU 43 2HD1 LEU 43 -2.839 -3.416 -2.629 341 HD13 LEU 43 3HD1 LEU 43 -2.205 -3.592 -4.265 342 HD21 LEU 43 3HD2 LEU 43 -5.208 -4.100 -2.145 343 HD22 LEU 43 1HD2 LEU 43 -4.882 -5.691 -2.832 344 HD23 LEU 43 2HD2 LEU 43 -6.220 -4.722 -3.451 345 HA PRO 44 HA PRO 44 -8.434 0.824 -5.265 346 HB2 PRO 44 2HB PRO 44 -8.720 0.715 -2.339 347 HB3 PRO 44 3HB PRO 44 -9.969 0.804 -3.583 348 HG2 PRO 44 2HG PRO 44 -9.544 -1.428 -2.144 349 HG3 PRO 44 3HG PRO 44 -10.059 -1.484 -3.841 350 HD2 PRO 44 2HD PRO 44 -7.336 -1.904 -2.666 351 HD3 PRO 44 3HD PRO 44 -8.142 -2.777 -3.988 352 H VAL 45 H VAL 45 -7.480 2.768 -5.313 353 HA VAL 45 HA VAL 45 -5.041 3.118 -3.719 354 HB VAL 45 HB VAL 45 -4.465 4.920 -5.300 355 HG11 VAL 45 1HG1 VAL 45 -5.166 2.300 -6.624 356 HG12 VAL 45 2HG1 VAL 45 -3.692 2.649 -5.723 357 HG13 VAL 45 3HG1 VAL 45 -4.019 3.490 -7.237 358 HG21 VAL 45 3HG2 VAL 45 -5.778 5.205 -7.357 359 HG22 VAL 45 1HG2 VAL 45 -6.705 5.644 -5.922 360 HG23 VAL 45 2HG2 VAL 45 -6.999 4.100 -6.725 361 H SER 46 H SER 46 -8.243 4.020 -3.657 362 HA SER 46 HA SER 46 -7.915 6.741 -2.805 363 HB2 SER 46 2HB SER 46 -9.999 5.913 -3.894 364 HB3 SER 46 3HB SER 46 -10.314 4.925 -2.471 365 HG SER 46 HG SER 46 -10.025 7.758 -2.436 366 H GLY 47 H GLY 47 -7.501 7.466 -0.817 367 HA2 GLY 47 2HA GLY 47 -8.378 6.793 1.601 368 HA3 GLY 47 3HA GLY 47 -7.184 5.529 1.338 369 H THR 48 H THR 48 -6.221 6.488 3.272 370 HA THR 48 HA THR 48 -4.599 8.866 2.657 371 HB THR 48 HB THR 48 -4.378 9.030 5.189 372 HG1 THR 48 HG1 THR 48 -6.772 7.739 5.591 373 HG21 THR 48 3HG2 THR 48 -7.124 9.368 3.970 374 HG22 THR 48 1HG2 THR 48 -5.813 10.546 3.929 375 HG23 THR 48 2HG2 THR 48 -6.570 10.121 5.463 376 H LYS 49 H LYS 49 -2.522 8.841 4.079 377 HA LYS 49 HA LYS 49 -0.777 6.892 3.275 378 HB2 LYS 49 2HB LYS 49 -0.068 9.009 4.268 379 HB3 LYS 49 3HB LYS 49 -0.688 8.505 5.833 380 HG2 LYS 49 2HG LYS 49 1.703 8.269 5.804 381 HG3 LYS 49 3HG LYS 49 0.956 6.672 5.865 382 HD2 LYS 49 2HD LYS 49 1.328 6.375 3.487 383 HD3 LYS 49 3HD LYS 49 1.993 8.005 3.363 384 HE2 LYS 49 2HE LYS 49 3.151 5.730 4.975 385 HE3 LYS 49 3HE LYS 49 3.763 6.317 3.431 386 HZ1 LYS 49 3HZ LYS 49 4.114 8.504 4.536 387 HZ2 LYS 49 1HZ LYS 49 5.079 7.253 5.155 388 HZ3 LYS 49 2HZ LYS 49 3.720 7.777 6.017 389 H THR 50 H THR 50 -2.321 7.040 6.484 390 HA THR 50 HA THR 50 -1.256 4.625 7.431 391 HB THR 50 HB THR 50 -3.872 5.839 8.328 392 HG1 THR 50 HG1 THR 50 -2.729 7.361 9.409 393 HG21 THR 50 3HG2 THR 50 -3.177 4.985 10.523 394 HG22 THR 50 1HG2 THR 50 -1.705 4.330 9.804 395 HG23 THR 50 2HG2 THR 50 -3.278 3.684 9.337 396 H GLU 51 H GLU 51 -4.275 5.348 5.734 397 HA GLU 51 HA GLU 51 -5.540 2.870 6.004 398 HB2 GLU 51 2HB GLU 51 -5.949 5.281 4.561 399 HB3 GLU 51 3HB GLU 51 -6.071 3.961 3.410 400 HG2 GLU 51 2HG GLU 51 -7.620 4.153 5.980 401 HG3 GLU 51 3HG GLU 51 -8.227 4.617 4.394 402 H LEU 52 H LEU 52 -3.296 4.061 3.529 403 HA LEU 52 HA LEU 52 -3.492 1.751 1.893 404 HB2 LEU 52 2HB LEU 52 -1.229 3.738 1.961 405 HB3 LEU 52 3HB LEU 52 -1.685 2.695 0.627 406 HG LEU 52 HG LEU 52 -3.238 5.059 1.684 407 HD11 LEU 52 1HD1 LEU 52 -2.806 6.021 -0.492 408 HD12 LEU 52 2HD1 LEU 52 -1.924 4.574 -0.980 409 HD13 LEU 52 3HD1 LEU 52 -1.287 5.603 0.303 410 HD21 LEU 52 3HD2 LEU 52 -4.770 3.277 1.022 411 HD22 LEU 52 1HD2 LEU 52 -3.963 3.159 -0.541 412 HD23 LEU 52 2HD2 LEU 52 -4.834 4.630 -0.106 413 H ILE 53 H ILE 53 -1.232 2.748 4.424 414 HA ILE 53 HA ILE 53 0.704 0.765 4.096 415 HB ILE 53 HB ILE 53 -0.230 2.043 6.672 416 HG12 ILE 53 2HG1 ILE 53 2.117 2.705 4.879 417 HG13 ILE 53 3HG1 ILE 53 0.614 3.620 4.954 418 HG21 ILE 53 1HG2 ILE 53 0.956 0.002 7.166 419 HG22 ILE 53 2HG2 ILE 53 1.993 1.377 7.545 420 HG23 ILE 53 3HG2 ILE 53 2.259 0.453 6.067 421 HD11 ILE 53 3HD1 ILE 53 2.555 3.246 7.223 422 HD12 ILE 53 1HD1 ILE 53 1.067 4.189 7.274 423 HD13 ILE 53 2HD1 ILE 53 2.394 4.690 6.226 424 H GLU 54 H GLU 54 -2.154 0.750 6.212 425 HA GLU 54 HA GLU 54 -1.802 -1.875 7.168 426 HB2 GLU 54 2HB GLU 54 -4.353 -0.274 6.908 427 HB3 GLU 54 3HB GLU 54 -4.147 -1.715 7.891 428 HG2 GLU 54 2HG GLU 54 -2.613 0.843 8.275 429 HG3 GLU 54 3HG GLU 54 -4.064 0.397 9.172 430 H ARG 55 H ARG 55 -3.465 -0.577 4.362 431 HA ARG 55 HA ARG 55 -4.880 -2.914 3.663 432 HB2 ARG 55 2HB ARG 55 -5.382 -0.625 2.826 433 HB3 ARG 55 3HB ARG 55 -3.932 -0.705 1.835 434 HG2 ARG 55 2HG ARG 55 -4.830 -2.320 0.429 435 HG3 ARG 55 3HG ARG 55 -6.072 -2.782 1.595 436 HD2 ARG 55 2HD ARG 55 -5.919 -0.214 0.019 437 HD3 ARG 55 3HD ARG 55 -7.092 -1.518 -0.187 438 HE ARG 55 HE ARG 55 -7.114 0.552 1.822 439 HH11 ARG 55 1HH1 ARG 55 -8.317 -2.614 0.928 440 HH12 ARG 55 2HH1 ARG 55 -9.657 -2.554 2.029 441 HH21 ARG 55 1HH2 ARG 55 -8.853 0.642 3.270 442 HH22 ARG 55 2HH2 ARG 55 -9.949 -0.713 3.383 443 H LEU 56 H LEU 56 -1.691 -1.692 2.719 444 HA LEU 56 HA LEU 56 -1.087 -3.751 0.887 445 HB2 LEU 56 2HB LEU 56 0.644 -1.937 2.554 446 HB3 LEU 56 3HB LEU 56 1.325 -3.128 1.461 447 HG LEU 56 HG LEU 56 -0.518 -0.888 0.614 448 HD11 LEU 56 1HD1 LEU 56 1.625 -0.027 1.411 449 HD12 LEU 56 2HD1 LEU 56 1.491 0.132 -0.339 450 HD13 LEU 56 3HD1 LEU 56 2.477 -1.152 0.358 451 HD21 LEU 56 3HD2 LEU 56 0.169 -1.514 -1.643 452 HD22 LEU 56 1HD2 LEU 56 -0.610 -2.870 -0.824 453 HD23 LEU 56 2HD2 LEU 56 1.145 -2.829 -0.989 454 H ARG 57 H ARG 57 -0.562 -3.438 4.366 455 HA ARG 57 HA ARG 57 0.933 -5.775 4.763 456 HB2 ARG 57 2HB ARG 57 -1.017 -4.418 6.634 457 HB3 ARG 57 3HB ARG 57 0.152 -5.644 7.110 458 HG2 ARG 57 2HG ARG 57 1.982 -4.192 6.559 459 HG3 ARG 57 3HG ARG 57 0.880 -2.988 5.889 460 HD2 ARG 57 2HD ARG 57 1.574 -2.301 8.091 461 HD3 ARG 57 3HD ARG 57 -0.136 -2.725 8.124 462 HE ARG 57 HE ARG 57 1.570 -4.914 8.863 463 HH11 ARG 57 1HH1 ARG 57 -0.110 -2.057 10.029 464 HH12 ARG 57 2HH1 ARG 57 -0.049 -2.563 11.695 465 HH21 ARG 57 1HH2 ARG 57 1.633 -5.570 11.060 466 HH22 ARG 57 2HH2 ARG 57 0.926 -4.545 12.275 467 H ALA 58 H ALA 58 -2.576 -5.234 4.897 468 HA ALA 58 HA ALA 58 -3.273 -7.897 5.522 469 HB1 ALA 58 3HB ALA 58 -4.802 -6.016 5.828 470 HB2 ALA 58 1HB ALA 58 -5.528 -7.282 4.842 471 HB3 ALA 58 2HB ALA 58 -4.910 -5.815 4.080 472 H TYR 59 H TYR 59 -2.888 -6.188 2.461 473 HA TYR 59 HA TYR 59 -3.848 -8.196 0.758 474 HB2 TYR 59 2HB TYR 59 -3.607 -6.027 -0.166 475 HB3 TYR 59 3HB TYR 59 -1.918 -5.920 0.319 476 HD1 TYR 59 HD2 TYR 59 -4.101 -8.108 -1.803 477 HD2 TYR 59 HD1 TYR 59 -0.339 -6.177 -1.324 478 HE1 TYR 59 HE2 TYR 59 -3.394 -8.945 -4.005 479 HE2 TYR 59 HE1 TYR 59 0.374 -7.015 -3.512 480 HH TYR 59 HH TYR 59 -1.800 -8.505 -5.737 481 H GLN 60 H GLN 60 -0.485 -7.471 1.741 482 HA GLN 60 HA GLN 60 0.634 -9.553 0.184 483 HB2 GLN 60 2HB GLN 60 1.923 -7.611 1.027 484 HB3 GLN 60 3HB GLN 60 1.802 -8.264 2.656 485 HG2 GLN 60 2HG GLN 60 3.957 -8.781 1.692 486 HG3 GLN 60 3HG GLN 60 3.027 -10.256 1.950 487 HE21 GLN 60 1HE2 GLN 60 4.155 -11.431 0.427 488 HE22 GLN 60 2HE2 GLN 60 4.011 -11.138 -1.276 489 H ASP 61 H ASP 61 -0.691 -9.466 3.408 490 HA ASP 61 HA ASP 61 0.348 -11.989 4.221 491 HB2 ASP 61 2HB ASP 61 -0.359 -10.421 5.913 492 HB3 ASP 61 3HB ASP 61 -1.995 -10.387 5.257 493 H GLN 62 H GLN 62 -2.751 -10.958 2.799 494 HA GLN 62 HA GLN 62 -3.911 -13.549 2.935 495 HB2 GLN 62 2HB GLN 62 -5.679 -12.691 1.545 496 HB3 GLN 62 3HB GLN 62 -5.249 -11.476 2.737 497 HG2 GLN 62 2HG GLN 62 -3.946 -10.286 1.039 498 HG3 GLN 62 3HG GLN 62 -4.424 -11.492 -0.156 499 HE21 GLN 62 1HE2 GLN 62 -5.461 -9.998 -1.450 500 HE22 GLN 62 2HE2 GLN 62 -6.962 -9.254 -1.009 501 H ILE 63 H ILE 63 -1.717 -12.042 0.735 502 HA ILE 63 HA ILE 63 -1.913 -13.849 -1.418 503 HB ILE 63 HB ILE 63 0.528 -12.421 -0.337 504 HG12 ILE 63 2HG1 ILE 63 -1.251 -10.916 -1.126 505 HG13 ILE 63 3HG1 ILE 63 0.163 -10.846 -2.170 506 HG21 ILE 63 1HG2 ILE 63 1.568 -12.873 -2.509 507 HG22 ILE 63 2HG2 ILE 63 0.169 -13.839 -2.975 508 HG23 ILE 63 3HG2 ILE 63 1.197 -14.363 -1.641 509 HD11 ILE 63 3HD1 ILE 63 -1.904 -10.823 -3.444 510 HD12 ILE 63 1HD1 ILE 63 -2.364 -12.374 -2.742 511 HD13 ILE 63 2HD1 ILE 63 -0.953 -12.266 -3.795 512 H SER 64 H SER 64 0.236 -13.830 1.399 513 HA SER 64 HA SER 64 1.178 -15.455 2.651 514 HB2 SER 64 2HB SER 64 -0.814 -17.264 1.263 515 HB3 SER 64 3HB SER 64 0.150 -17.705 2.672 516 HG SER 64 HG SER 64 -1.171 -15.361 3.069 517 HA PRO 65 HA PRO 65 4.295 -17.488 0.154 518 HB2 PRO 65 2HB PRO 65 4.315 -19.728 2.070 519 HB3 PRO 65 3HB PRO 65 5.613 -18.607 1.648 520 HG2 PRO 65 2HG PRO 65 4.377 -18.497 4.029 521 HG3 PRO 65 3HG PRO 65 4.939 -17.033 3.198 522 HD2 PRO 65 2HD PRO 65 2.170 -18.167 3.380 523 HD3 PRO 65 3HD PRO 65 2.703 -16.476 3.490 524 H VAL 66 H VAL 66 3.418 -18.272 -1.690 525 HA VAL 66 HA VAL 66 1.279 -20.080 -1.836 526 HB VAL 66 HB VAL 66 2.014 -20.396 -4.248 527 HG11 VAL 66 1HG1 VAL 66 1.655 -17.574 -3.245 528 HG12 VAL 66 2HG1 VAL 66 0.361 -18.729 -3.562 529 HG13 VAL 66 3HG1 VAL 66 1.357 -18.134 -4.891 530 HG21 VAL 66 3HG2 VAL 66 3.716 -18.889 -5.114 531 HG22 VAL 66 1HG2 VAL 66 4.411 -19.976 -3.908 532 HG23 VAL 66 2HG2 VAL 66 4.046 -18.302 -3.482 533 HA PRO 67 HA PRO 67 3.428 -23.717 -0.522 534 HB2 PRO 67 2HB PRO 67 0.996 -25.121 -1.418 535 HB3 PRO 67 3HB PRO 67 1.714 -25.034 0.194 536 HG2 PRO 67 2HG PRO 67 -0.559 -23.741 -0.404 537 HG3 PRO 67 3HG PRO 67 0.638 -23.057 0.712 538 HD2 PRO 67 2HD PRO 67 0.124 -22.389 -2.164 539 HD3 PRO 67 3HD PRO 67 0.487 -21.308 -0.801 540 H GLY 68 H GLY 68 5.024 -24.072 -1.975 541 HA2 GLY 68 2HA GLY 68 6.093 -25.309 -3.610 542 HA3 GLY 68 3HA GLY 68 4.546 -26.027 -4.032 543 H ALA 69 H ALA 69 3.860 -22.903 -4.073 544 HA ALA 69 HA ALA 69 3.397 -21.379 -5.675 545 HB1 ALA 69 3HB ALA 69 5.823 -22.477 -7.095 546 HB2 ALA 69 1HB ALA 69 5.820 -21.166 -5.914 547 HB3 ALA 69 2HB ALA 69 4.996 -20.961 -7.461 548 HA PRO 70 HA PRO 70 0.565 -23.784 -8.141 549 HB2 PRO 70 2HB PRO 70 0.274 -21.143 -9.491 550 HB3 PRO 70 3HB PRO 70 -0.971 -22.227 -8.857 551 HG2 PRO 70 2HG PRO 70 -0.303 -20.007 -7.544 552 HG3 PRO 70 3HG PRO 70 -0.679 -21.505 -6.675 553 HD2 PRO 70 2HD PRO 70 1.963 -20.226 -7.200 554 HD3 PRO 70 3HD PRO 70 1.413 -21.145 -5.783 555 H LYS 71 H LYS 71 1.307 -25.084 -9.688 556 HA LYS 71 HA LYS 71 3.312 -24.014 -11.524 557 HB2 LYS 71 2HB LYS 71 3.722 -26.488 -12.038 558 HB3 LYS 71 3HB LYS 71 4.237 -25.877 -10.477 559 HG2 LYS 71 2HG LYS 71 1.572 -27.190 -10.749 560 HG3 LYS 71 3HG LYS 71 3.036 -28.167 -10.667 561 HD2 LYS 71 2HD LYS 71 2.312 -26.076 -8.617 562 HD3 LYS 71 3HD LYS 71 1.874 -27.774 -8.467 563 HE2 LYS 71 2HE LYS 71 3.823 -27.592 -7.207 564 HE3 LYS 71 3HE LYS 71 4.383 -28.243 -8.744 565 HZ1 LYS 71 3HZ LYS 71 4.497 -25.371 -7.986 566 HZ2 LYS 71 1HZ LYS 71 5.140 -26.066 -9.393 567 HZ3 LYS 71 2HZ LYS 71 5.799 -26.451 -7.879 568 H ALA 72 H ALA 72 1.900 -22.966 -12.889 569 HA ALA 72 HA ALA 72 0.162 -24.647 -14.534 570 HB1 ALA 72 3HB ALA 72 -0.629 -22.526 -15.499 571 HB2 ALA 72 1HB ALA 72 0.512 -21.648 -14.481 572 HB3 ALA 72 2HB ALA 72 -0.807 -22.558 -13.746 573 HA PRO 73 HA PRO 73 3.786 -24.682 -17.213 574 HB2 PRO 73 2HB PRO 73 2.722 -27.022 -18.473 575 HB3 PRO 73 3HB PRO 73 4.047 -26.923 -17.311 576 HG2 PRO 73 2HG PRO 73 1.595 -28.109 -16.826 577 HG3 PRO 73 3HG PRO 73 2.712 -27.537 -15.575 578 HD2 PRO 73 2HD PRO 73 0.259 -26.230 -16.680 579 HD3 PRO 73 3HD PRO 73 0.877 -26.252 -15.013 580 H ALA 74 H ALA 74 3.944 -25.190 -19.686 581 HA ALA 74 HA ALA 74 1.748 -23.734 -21.012 582 HB1 ALA 74 3HB ALA 74 4.642 -23.945 -21.849 583 HB2 ALA 74 1HB ALA 74 3.907 -22.562 -21.034 584 HB3 ALA 74 2HB ALA 74 3.384 -23.008 -22.658 585 H ALA 75 H ALA 75 2.116 -26.633 -20.419 586 HA ALA 75 HA ALA 75 2.219 -27.747 -23.128 587 HB1 ALA 75 3HB ALA 75 2.312 -29.166 -20.465 588 HB2 ALA 75 1HB ALA 75 3.704 -28.799 -21.485 589 HB3 ALA 75 2HB ALA 75 2.468 -29.922 -22.051 Start of MODEL 14 1 H1 MET 1 1H MET 1 20.164 -7.431 -40.227 2 H2 MET 1 2H MET 1 20.783 -9.008 -40.181 3 H3 MET 1 3H MET 1 21.055 -7.955 -38.884 4 HA MET 1 HA MET 1 18.719 -7.923 -38.360 5 HB2 MET 1 2HB MET 1 18.514 -9.918 -40.632 6 HB3 MET 1 3HB MET 1 17.212 -9.510 -39.524 7 HG2 MET 1 2HG MET 1 17.184 -7.236 -40.341 8 HG3 MET 1 3HG MET 1 18.558 -7.573 -41.389 9 HE1 MET 1 3HE MET 1 17.290 -6.647 -43.505 10 HE2 MET 1 1HE MET 1 15.917 -6.237 -42.474 11 HE3 MET 1 2HE MET 1 15.660 -7.141 -43.965 12 H GLY 2 H GLY 2 17.913 -9.419 -36.844 13 HA2 GLY 2 2HA GLY 2 18.195 -11.968 -36.338 14 HA3 GLY 2 3HA GLY 2 19.877 -11.490 -36.149 15 H HIS 3 H HIS 3 19.531 -12.347 -33.951 16 HA HIS 3 HA HIS 3 18.868 -10.142 -32.198 17 HB2 HIS 3 2HB HIS 3 17.569 -11.697 -30.658 18 HB3 HIS 3 3HB HIS 3 16.750 -11.194 -32.129 19 HD1 HIS 3 HD1 HIS 3 16.322 -13.021 -33.937 20 HD2 HIS 3 HD2 HIS 3 18.082 -14.438 -30.441 21 HE1 HIS 3 HE1 HIS 3 16.100 -15.519 -34.029 22 HE2 HIS 3 HE2 HIS 3 17.090 -16.360 -31.872 23 H HIS 4 H HIS 4 20.640 -9.858 -31.077 24 HA HIS 4 HA HIS 4 22.276 -12.212 -30.378 25 HB2 HIS 4 2HB HIS 4 23.107 -10.309 -31.978 26 HB3 HIS 4 3HB HIS 4 23.332 -9.406 -30.485 27 HD1 HIS 4 HD1 HIS 4 25.481 -10.662 -32.620 28 HD2 HIS 4 HD2 HIS 4 24.713 -11.844 -28.707 29 HE1 HIS 4 HE1 HIS 4 27.557 -11.855 -31.854 30 HE2 HIS 4 HE2 HIS 4 27.145 -12.375 -29.423 31 H HIS 5 H HIS 5 22.747 -12.565 -28.270 32 HA HIS 5 HA HIS 5 21.442 -11.064 -26.240 33 HB2 HIS 5 2HB HIS 5 23.625 -13.146 -26.065 34 HB3 HIS 5 3HB HIS 5 22.823 -12.450 -24.663 35 HD1 HIS 5 HD1 HIS 5 22.811 -15.502 -25.954 36 HD2 HIS 5 HD2 HIS 5 19.723 -12.728 -25.681 37 HE1 HIS 5 HE1 HIS 5 20.680 -16.839 -26.077 38 HE2 HIS 5 HE2 HIS 5 18.846 -15.159 -25.651 39 H HIS 6 H HIS 6 22.066 -9.343 -25.159 40 HA HIS 6 HA HIS 6 24.920 -8.590 -25.201 41 HB2 HIS 6 2HB HIS 6 22.463 -6.833 -24.949 42 HB3 HIS 6 3HB HIS 6 24.109 -6.262 -24.693 43 HD1 HIS 6 HD1 HIS 6 21.629 -6.960 -27.317 44 HD2 HIS 6 HD2 HIS 6 25.727 -6.275 -27.076 45 HE1 HIS 6 HE1 HIS 6 22.372 -6.434 -29.663 46 HE2 HIS 6 HE2 HIS 6 24.829 -5.909 -29.477 47 H HIS 7 H HIS 7 22.261 -9.593 -23.401 48 HA HIS 7 HA HIS 7 23.808 -9.306 -20.914 49 HB2 HIS 7 2HB HIS 7 20.798 -9.136 -21.262 50 HB3 HIS 7 3HB HIS 7 21.595 -9.302 -19.703 51 HD1 HIS 7 HD1 HIS 7 22.149 -7.182 -18.543 52 HD2 HIS 7 HD2 HIS 7 21.597 -6.641 -22.628 53 HE1 HIS 7 HE1 HIS 7 22.292 -4.701 -18.921 54 HE2 HIS 7 HE2 HIS 7 22.224 -4.438 -21.430 55 H HIS 8 H HIS 8 23.759 -11.150 -19.545 56 HA HIS 8 HA HIS 8 23.282 -13.574 -21.066 57 HB2 HIS 8 2HB HIS 8 24.401 -14.759 -19.207 58 HB3 HIS 8 3HB HIS 8 25.389 -13.473 -19.882 59 HD1 HIS 8 HD1 HIS 8 23.829 -14.643 -16.736 60 HD2 HIS 8 HD2 HIS 8 25.735 -11.230 -18.153 61 HE1 HIS 8 HE1 HIS 8 24.436 -13.304 -14.695 62 HE2 HIS 8 HE2 HIS 8 25.422 -11.165 -15.585 63 H SER 9 H SER 9 21.724 -14.996 -20.769 64 HA SER 9 HA SER 9 19.622 -14.299 -18.849 65 HB2 SER 9 2HB SER 9 19.191 -14.642 -21.368 66 HB3 SER 9 3HB SER 9 19.444 -16.357 -21.060 67 HG SER 9 HG SER 9 17.687 -16.353 -19.670 68 H HIS 10 H HIS 10 21.886 -16.793 -19.757 69 HA HIS 10 HA HIS 10 21.009 -18.732 -17.839 70 HB2 HIS 10 2HB HIS 10 22.342 -19.308 -19.866 71 HB3 HIS 10 3HB HIS 10 23.704 -18.423 -19.198 72 HD1 HIS 10 HD1 HIS 10 22.053 -21.709 -19.175 73 HD2 HIS 10 HD2 HIS 10 24.867 -19.679 -16.873 74 HE1 HIS 10 HE1 HIS 10 23.168 -23.462 -17.755 75 HE2 HIS 10 HE2 HIS 10 24.736 -22.187 -16.245 76 H MET 11 H MET 11 21.444 -18.816 -15.722 77 HA MET 11 HA MET 11 22.157 -18.221 -13.659 78 HB2 MET 11 2HB MET 11 24.328 -19.021 -14.411 79 HB3 MET 11 3HB MET 11 24.679 -17.464 -15.148 80 HG2 MET 11 2HG MET 11 24.614 -16.427 -12.911 81 HG3 MET 11 3HG MET 11 24.359 -18.022 -12.204 82 HE1 MET 11 3HE MET 11 26.454 -17.534 -10.621 83 HE2 MET 11 1HE MET 11 26.732 -15.978 -11.402 84 HE3 MET 11 2HE MET 11 28.060 -17.123 -11.223 85 H SER 12 H SER 12 20.639 -16.606 -13.368 86 HA SER 12 HA SER 12 21.677 -13.959 -13.045 87 HB2 SER 12 2HB SER 12 21.107 -14.047 -15.504 88 HB3 SER 12 3HB SER 12 19.429 -14.335 -15.048 89 HG SER 12 HG SER 12 21.002 -12.015 -14.737 90 H THR 13 H THR 13 19.368 -12.548 -12.745 91 HA THR 13 HA THR 13 18.118 -13.926 -10.492 92 HB THR 13 HB THR 13 17.119 -11.565 -10.129 93 HG1 THR 13 HG1 THR 13 17.582 -10.323 -11.801 94 HG21 THR 13 3HG2 THR 13 18.875 -12.524 -8.723 95 HG22 THR 13 1HG2 THR 13 19.161 -10.808 -8.996 96 HG23 THR 13 2HG2 THR 13 20.098 -12.009 -9.884 97 HA PRO 14 HA PRO 14 14.837 -14.967 -13.348 98 HB2 PRO 14 2HB PRO 14 13.506 -15.860 -10.856 99 HB3 PRO 14 3HB PRO 14 13.858 -16.765 -12.331 100 HG2 PRO 14 2HG PRO 14 15.250 -17.191 -10.098 101 HG3 PRO 14 3HG PRO 14 16.035 -17.226 -11.689 102 HD2 PRO 14 2HD PRO 14 16.044 -15.063 -9.618 103 HD3 PRO 14 3HD PRO 14 17.372 -15.647 -10.644 104 H LEU 15 H LEU 15 13.372 -13.614 -14.098 105 HA LEU 15 HA LEU 15 12.061 -11.702 -12.324 106 HB2 LEU 15 2HB LEU 15 13.085 -10.952 -14.458 107 HB3 LEU 15 3HB LEU 15 11.957 -11.966 -15.333 108 HG LEU 15 HG LEU 15 10.083 -10.609 -14.414 109 HD11 LEU 15 1HD1 LEU 15 10.570 -8.469 -13.364 110 HD12 LEU 15 2HD1 LEU 15 12.297 -8.822 -13.408 111 HD13 LEU 15 3HD1 LEU 15 11.222 -9.793 -12.402 112 HD21 LEU 15 3HD2 LEU 15 10.496 -8.653 -15.836 113 HD22 LEU 15 1HD2 LEU 15 10.966 -10.158 -16.628 114 HD23 LEU 15 2HD2 LEU 15 12.199 -9.101 -15.941 115 H THR 16 H THR 16 11.553 -14.759 -13.402 116 HA THR 16 HA THR 16 8.706 -14.588 -13.869 117 HB THR 16 HB THR 16 10.344 -17.110 -13.587 118 HG1 THR 16 HG1 THR 16 11.252 -16.671 -15.455 119 HG21 THR 16 3HG2 THR 16 7.839 -16.473 -15.159 120 HG22 THR 16 1HG2 THR 16 7.898 -17.364 -13.636 121 HG23 THR 16 2HG2 THR 16 8.647 -18.039 -15.082 122 H GLY 17 H GLY 17 7.637 -14.081 -12.007 123 HA2 GLY 17 2HA GLY 17 6.386 -15.140 -10.246 124 HA3 GLY 17 3HA GLY 17 7.805 -16.118 -9.889 125 H LYS 18 H LYS 18 9.586 -15.144 -8.839 126 HA LYS 18 HA LYS 18 10.626 -13.866 -7.291 127 HB2 LYS 18 2HB LYS 18 8.725 -11.793 -8.337 128 HB3 LYS 18 3HB LYS 18 9.770 -11.459 -6.966 129 HG2 LYS 18 2HG LYS 18 11.711 -12.109 -8.433 130 HG3 LYS 18 3HG LYS 18 10.573 -12.106 -9.786 131 HD2 LYS 18 2HD LYS 18 10.047 -9.790 -9.407 132 HD3 LYS 18 3HD LYS 18 11.017 -9.770 -7.933 133 HE2 LYS 18 2HE LYS 18 13.019 -10.286 -9.328 134 HE3 LYS 18 3HE LYS 18 12.004 -10.105 -10.761 135 HZ1 LYS 18 3HZ LYS 18 11.518 -7.826 -10.065 136 HZ2 LYS 18 1HZ LYS 18 13.184 -8.063 -10.285 137 HZ3 LYS 18 2HZ LYS 18 12.532 -8.011 -8.720 138 HA PRO 19 HA PRO 19 8.261 -14.419 -3.556 139 HB2 PRO 19 2HB PRO 19 10.242 -12.661 -2.272 140 HB3 PRO 19 3HB PRO 19 9.875 -14.358 -1.945 141 HG2 PRO 19 2HG PRO 19 12.164 -13.605 -3.135 142 HG3 PRO 19 3HG PRO 19 11.341 -15.119 -3.554 143 HD2 PRO 19 2HD PRO 19 11.351 -12.502 -5.011 144 HD3 PRO 19 3HD PRO 19 11.470 -14.152 -5.658 145 H GLY 20 H GLY 20 6.406 -13.330 -3.420 146 HA2 GLY 20 2HA GLY 20 6.236 -10.501 -3.919 147 HA3 GLY 20 3HA GLY 20 4.915 -11.571 -3.472 148 H ALA 21 H ALA 21 7.624 -9.709 -2.233 149 HA ALA 21 HA ALA 21 6.211 -9.513 0.341 150 HB1 ALA 21 3HB ALA 21 9.201 -9.646 -0.055 151 HB2 ALA 21 1HB ALA 21 8.190 -10.946 0.572 152 HB3 ALA 21 2HB ALA 21 8.369 -9.449 1.487 153 H LEU 22 H LEU 22 5.965 -7.513 1.149 154 HA LEU 22 HA LEU 22 6.903 -5.261 -0.464 155 HB2 LEU 22 2HB LEU 22 5.005 -5.330 1.886 156 HB3 LEU 22 3HB LEU 22 5.352 -3.929 0.894 157 HG LEU 22 HG LEU 22 4.005 -6.444 -0.092 158 HD11 LEU 22 1HD1 LEU 22 2.611 -5.247 1.495 159 HD12 LEU 22 2HD1 LEU 22 1.980 -5.069 -0.143 160 HD13 LEU 22 3HD1 LEU 22 2.869 -3.744 0.609 161 HD21 LEU 22 3HD2 LEU 22 4.460 -3.766 -1.401 162 HD22 LEU 22 1HD2 LEU 22 3.475 -5.071 -2.062 163 HD23 LEU 22 2HD2 LEU 22 5.214 -5.295 -1.858 164 HA PRO 23 HA PRO 23 9.939 -4.092 2.617 165 HB2 PRO 23 2HB PRO 23 9.929 -1.386 2.242 166 HB3 PRO 23 3HB PRO 23 10.763 -2.510 1.163 167 HG2 PRO 23 2HG PRO 23 8.116 -1.169 0.827 168 HG3 PRO 23 3HG PRO 23 9.379 -1.478 -0.376 169 HD2 PRO 23 2HD PRO 23 7.133 -2.993 -0.162 170 HD3 PRO 23 3HD PRO 23 8.684 -3.639 -0.733 171 H ALA 24 H ALA 24 9.592 -3.924 4.758 172 HA ALA 24 HA ALA 24 7.069 -3.392 5.844 173 HB1 ALA 24 3HB ALA 24 8.720 -4.759 6.978 174 HB2 ALA 24 1HB ALA 24 8.173 -3.450 8.023 175 HB3 ALA 24 2HB ALA 24 9.742 -3.344 7.225 176 H ASN 25 H ASN 25 9.634 -1.259 5.012 177 HA ASN 25 HA ASN 25 8.726 0.918 6.685 178 HB2 ASN 25 2HB ASN 25 10.898 0.672 4.606 179 HB3 ASN 25 3HB ASN 25 10.500 2.203 5.382 180 HD21 ASN 25 1HD2 ASN 25 10.949 2.492 7.557 181 HD22 ASN 25 2HD2 ASN 25 12.034 1.441 8.418 182 H LEU 26 H LEU 26 6.656 0.080 5.053 183 HA LEU 26 HA LEU 26 6.353 1.597 2.690 184 HB2 LEU 26 2HB LEU 26 4.283 0.550 4.622 185 HB3 LEU 26 3HB LEU 26 3.902 1.252 3.063 186 HG LEU 26 HG LEU 26 5.533 -1.258 3.482 187 HD11 LEU 26 1HD1 LEU 26 3.569 -2.416 2.580 188 HD12 LEU 26 2HD1 LEU 26 2.682 -0.892 2.572 189 HD13 LEU 26 3HD1 LEU 26 3.209 -1.597 4.100 190 HD21 LEU 26 3HD2 LEU 26 4.458 0.008 0.965 191 HD22 LEU 26 1HD2 LEU 26 5.304 -1.535 1.067 192 HD23 LEU 26 2HD2 LEU 26 6.151 -0.038 1.459 193 H ASP 27 H ASP 27 6.112 2.379 6.030 194 HA ASP 27 HA ASP 27 4.594 4.789 5.722 195 HB2 ASP 27 2HB ASP 27 4.588 3.513 7.824 196 HB3 ASP 27 3HB ASP 27 6.311 3.809 8.015 197 H ASP 28 H ASP 28 7.936 3.905 5.522 198 HA ASP 28 HA ASP 28 8.906 6.626 5.688 199 HB2 ASP 28 2HB ASP 28 10.273 4.021 4.987 200 HB3 ASP 28 3HB ASP 28 11.098 5.575 5.022 201 H MET 29 H MET 29 7.383 4.782 3.401 202 HA MET 29 HA MET 29 8.722 5.974 1.104 203 HB2 MET 29 2HB MET 29 6.446 3.992 1.297 204 HB3 MET 29 3HB MET 29 7.116 4.589 -0.215 205 HG2 MET 29 2HG MET 29 9.255 3.605 0.297 206 HG3 MET 29 3HG MET 29 8.676 3.099 1.883 207 HE1 MET 29 3HE MET 29 8.299 2.620 -2.006 208 HE2 MET 29 1HE MET 29 6.653 2.990 -1.493 209 HE3 MET 29 2HE MET 29 7.050 1.376 -2.084 210 H LYS 30 H LYS 30 7.083 6.734 -0.660 211 HA LYS 30 HA LYS 30 5.568 8.867 0.628 212 HB2 LYS 30 2HB LYS 30 6.223 8.529 -2.302 213 HB3 LYS 30 3HB LYS 30 5.616 9.980 -1.515 214 HG2 LYS 30 2HG LYS 30 7.676 10.222 -0.307 215 HG3 LYS 30 3HG LYS 30 8.275 8.693 -0.958 216 HD2 LYS 30 2HD LYS 30 9.239 10.039 -2.485 217 HD3 LYS 30 3HD LYS 30 7.653 9.971 -3.239 218 HE2 LYS 30 2HE LYS 30 8.439 12.269 -3.107 219 HE3 LYS 30 3HE LYS 30 7.011 12.032 -2.101 220 HZ1 LYS 30 3HZ LYS 30 8.355 11.982 -0.151 221 HZ2 LYS 30 1HZ LYS 30 8.812 13.352 -1.039 222 HZ3 LYS 30 2HZ LYS 30 9.794 11.972 -1.055 223 H VAL 31 H VAL 31 3.436 9.433 -0.120 224 HA VAL 31 HA VAL 31 1.659 7.281 -0.092 225 HB VAL 31 HB VAL 31 1.118 10.083 -1.092 226 HG11 VAL 31 1HG1 VAL 31 -0.653 8.559 -1.733 227 HG12 VAL 31 2HG1 VAL 31 -1.212 9.605 -0.426 228 HG13 VAL 31 3HG1 VAL 31 -0.749 7.937 -0.086 229 HG21 VAL 31 3HG2 VAL 31 2.063 10.091 1.151 230 HG22 VAL 31 1HG2 VAL 31 0.867 8.906 1.672 231 HG23 VAL 31 2HG2 VAL 31 0.354 10.526 1.196 232 H ALA 32 H ALA 32 2.799 9.255 -2.821 233 HA ALA 32 HA ALA 32 1.206 8.036 -4.798 234 HB1 ALA 32 3HB ALA 32 2.754 9.011 -6.409 235 HB2 ALA 32 1HB ALA 32 3.905 9.343 -5.115 236 HB3 ALA 32 2HB ALA 32 2.348 10.169 -5.144 237 H GLU 33 H GLU 33 4.346 7.196 -3.459 238 HA GLU 33 HA GLU 33 5.036 5.221 -5.356 239 HB2 GLU 33 2HB GLU 33 5.865 5.439 -2.458 240 HB3 GLU 33 3HB GLU 33 6.646 4.440 -3.676 241 HG2 GLU 33 2HG GLU 33 6.467 7.442 -3.713 242 HG3 GLU 33 3HG GLU 33 7.883 6.495 -3.257 243 H LEU 34 H LEU 34 3.304 5.113 -2.288 244 HA LEU 34 HA LEU 34 2.913 2.318 -2.166 245 HB2 LEU 34 2HB LEU 34 1.130 4.520 -1.099 246 HB3 LEU 34 3HB LEU 34 1.089 2.838 -0.610 247 HG LEU 34 HG LEU 34 3.402 4.724 -0.150 248 HD11 LEU 34 1HD1 LEU 34 1.466 5.306 1.201 249 HD12 LEU 34 2HD1 LEU 34 2.736 4.605 2.204 250 HD13 LEU 34 3HD1 LEU 34 1.330 3.637 1.755 251 HD21 LEU 34 3HD2 LEU 34 4.121 2.406 -0.422 252 HD22 LEU 34 1HD2 LEU 34 2.942 1.889 0.783 253 HD23 LEU 34 2HD2 LEU 34 4.289 2.924 1.257 254 H LYS 35 H LYS 35 1.034 4.958 -3.572 255 HA LYS 35 HA LYS 35 -1.169 3.389 -4.369 256 HB2 LYS 35 2HB LYS 35 -0.173 6.070 -5.304 257 HB3 LYS 35 3HB LYS 35 -1.637 5.326 -5.940 258 HG2 LYS 35 2HG LYS 35 -2.484 5.214 -3.582 259 HG3 LYS 35 3HG LYS 35 -1.093 6.197 -3.113 260 HD2 LYS 35 2HD LYS 35 -1.806 7.981 -4.567 261 HD3 LYS 35 3HD LYS 35 -3.121 6.989 -5.196 262 HE2 LYS 35 2HE LYS 35 -4.072 6.899 -2.901 263 HE3 LYS 35 3HE LYS 35 -2.819 8.022 -2.380 264 HZ1 LYS 35 3HZ LYS 35 -3.670 9.649 -3.948 265 HZ2 LYS 35 1HZ LYS 35 -4.889 9.166 -2.869 266 HZ3 LYS 35 2HZ LYS 35 -4.870 8.567 -4.457 267 H GLN 36 H GLN 36 1.950 3.864 -5.778 268 HA GLN 36 HA GLN 36 1.401 3.127 -8.429 269 HB2 GLN 36 2HB GLN 36 3.841 2.916 -6.695 270 HB3 GLN 36 3HB GLN 36 3.831 2.197 -8.298 271 HG2 GLN 36 2HG GLN 36 3.278 5.090 -7.694 272 HG3 GLN 36 3HG GLN 36 4.816 4.443 -8.264 273 HE21 GLN 36 1HE2 GLN 36 3.552 2.508 -10.043 274 HE22 GLN 36 2HE2 GLN 36 2.937 3.408 -11.393 275 H GLU 37 H GLU 37 2.543 1.076 -5.737 276 HA GLU 37 HA GLU 37 2.227 -1.332 -7.188 277 HB2 GLU 37 2HB GLU 37 2.371 -0.877 -4.202 278 HB3 GLU 37 3HB GLU 37 2.513 -2.442 -4.995 279 HG2 GLU 37 2HG GLU 37 4.480 -1.540 -6.237 280 HG3 GLU 37 3HG GLU 37 4.386 -0.102 -5.223 281 H LEU 38 H LEU 38 0.085 0.573 -5.207 282 HA LEU 38 HA LEU 38 -1.991 -1.309 -4.911 283 HB2 LEU 38 2HB LEU 38 -1.996 1.702 -4.980 284 HB3 LEU 38 3HB LEU 38 -3.456 0.768 -4.724 285 HG LEU 38 HG LEU 38 -1.034 0.586 -2.932 286 HD11 LEU 38 1HD1 LEU 38 -3.554 2.208 -2.604 287 HD12 LEU 38 2HD1 LEU 38 -1.927 2.842 -2.848 288 HD13 LEU 38 3HD1 LEU 38 -2.321 1.970 -1.368 289 HD21 LEU 38 3HD2 LEU 38 -2.589 -0.466 -1.383 290 HD22 LEU 38 1HD2 LEU 38 -2.520 -1.364 -2.900 291 HD23 LEU 38 2HD2 LEU 38 -3.893 -0.310 -2.561 292 H LYS 39 H LYS 39 -1.676 1.351 -7.294 293 HA LYS 39 HA LYS 39 -4.027 0.666 -8.684 294 HB2 LYS 39 2HB LYS 39 -3.373 2.270 -10.345 295 HB3 LYS 39 3HB LYS 39 -2.945 2.905 -8.764 296 HG2 LYS 39 2HG LYS 39 -0.614 2.214 -9.141 297 HG3 LYS 39 3HG LYS 39 -1.061 1.650 -10.752 298 HD2 LYS 39 2HD LYS 39 -0.109 3.834 -10.979 299 HD3 LYS 39 3HD LYS 39 -1.845 3.971 -11.259 300 HE2 LYS 39 2HE LYS 39 -2.132 4.719 -8.924 301 HE3 LYS 39 3HE LYS 39 -0.384 4.648 -8.705 302 HZ1 LYS 39 3HZ LYS 39 -0.974 6.886 -9.173 303 HZ2 LYS 39 1HZ LYS 39 -1.897 6.445 -10.523 304 HZ3 LYS 39 2HZ LYS 39 -0.210 6.283 -10.559 305 H LEU 40 H LEU 40 -0.699 -0.374 -9.081 306 HA LEU 40 HA LEU 40 -1.008 -1.605 -11.607 307 HB2 LEU 40 2HB LEU 40 0.921 -2.161 -9.356 308 HB3 LEU 40 3HB LEU 40 1.011 -2.940 -10.924 309 HG LEU 40 HG LEU 40 1.273 0.031 -10.435 310 HD11 LEU 40 1HD1 LEU 40 3.340 -2.053 -11.125 311 HD12 LEU 40 2HD1 LEU 40 3.173 -1.224 -9.577 312 HD13 LEU 40 3HD1 LEU 40 3.621 -0.315 -11.021 313 HD21 LEU 40 3HD2 LEU 40 1.633 -1.590 -12.952 314 HD22 LEU 40 1HD2 LEU 40 1.930 0.139 -12.779 315 HD23 LEU 40 2HD2 LEU 40 0.295 -0.497 -12.615 316 H ARG 41 H ARG 41 -1.751 -2.636 -8.361 317 HA ARG 41 HA ARG 41 -2.433 -5.318 -9.335 318 HB2 ARG 41 2HB ARG 41 -2.296 -4.245 -6.512 319 HB3 ARG 41 3HB ARG 41 -2.648 -5.909 -6.951 320 HG2 ARG 41 2HG ARG 41 -0.417 -6.087 -7.974 321 HG3 ARG 41 3HG ARG 41 -0.067 -4.439 -7.446 322 HD2 ARG 41 2HD ARG 41 -0.439 -5.140 -5.114 323 HD3 ARG 41 3HD ARG 41 -0.716 -6.787 -5.668 324 HE ARG 41 HE ARG 41 1.852 -5.352 -5.701 325 HH11 ARG 41 1HH1 ARG 41 0.036 -8.314 -6.162 326 HH12 ARG 41 2HH1 ARG 41 1.440 -9.338 -6.077 327 HH21 ARG 41 1HH2 ARG 41 3.692 -6.680 -5.579 328 HH22 ARG 41 2HH2 ARG 41 3.524 -8.412 -5.731 329 H SER 42 H SER 42 -3.891 -2.535 -9.455 330 HA SER 42 HA SER 42 -6.026 -1.796 -9.578 331 HB2 SER 42 2HB SER 42 -6.692 -4.747 -9.453 332 HB3 SER 42 3HB SER 42 -7.816 -3.470 -9.918 333 HG SER 42 HG SER 42 -6.134 -2.936 -11.566 334 H LEU 43 H LEU 43 -4.700 -2.199 -6.993 335 HA LEU 43 HA LEU 43 -6.746 -2.863 -5.080 336 HB2 LEU 43 2HB LEU 43 -3.969 -1.717 -4.887 337 HB3 LEU 43 3HB LEU 43 -4.998 -1.899 -3.479 338 HG LEU 43 HG LEU 43 -4.380 -4.256 -5.236 339 HD11 LEU 43 1HD1 LEU 43 -2.520 -4.786 -3.731 340 HD12 LEU 43 2HD1 LEU 43 -2.734 -3.233 -2.924 341 HD13 LEU 43 3HD1 LEU 43 -2.227 -3.286 -4.613 342 HD21 LEU 43 3HD2 LEU 43 -4.784 -5.461 -3.136 343 HD22 LEU 43 1HD2 LEU 43 -6.174 -4.486 -3.610 344 HD23 LEU 43 2HD2 LEU 43 -5.100 -3.924 -2.327 345 HA PRO 44 HA PRO 44 -8.551 1.150 -4.624 346 HB2 PRO 44 2HB PRO 44 -8.742 0.746 -1.729 347 HB3 PRO 44 3HB PRO 44 -10.030 0.843 -2.932 348 HG2 PRO 44 2HG PRO 44 -9.387 -1.460 -1.679 349 HG3 PRO 44 3HG PRO 44 -9.993 -1.419 -3.345 350 HD2 PRO 44 2HD PRO 44 -7.190 -1.728 -2.349 351 HD3 PRO 44 3HD PRO 44 -8.008 -2.562 -3.687 352 H VAL 45 H VAL 45 -7.212 2.825 -4.879 353 HA VAL 45 HA VAL 45 -5.086 3.402 -2.986 354 HB VAL 45 HB VAL 45 -4.548 5.297 -4.429 355 HG11 VAL 45 1HG1 VAL 45 -4.078 4.069 -6.530 356 HG12 VAL 45 2HG1 VAL 45 -5.098 2.756 -5.942 357 HG13 VAL 45 3HG1 VAL 45 -3.622 3.180 -5.077 358 HG21 VAL 45 3HG2 VAL 45 -5.832 5.727 -6.485 359 HG22 VAL 45 1HG2 VAL 45 -6.785 6.011 -5.029 360 HG23 VAL 45 2HG2 VAL 45 -7.028 4.538 -5.968 361 H SER 46 H SER 46 -8.326 3.865 -3.037 362 HA SER 46 HA SER 46 -8.592 6.548 -2.152 363 HB2 SER 46 2HB SER 46 -10.503 4.264 -1.632 364 HB3 SER 46 3HB SER 46 -10.884 5.982 -1.761 365 HG SER 46 HG SER 46 -11.401 5.180 -3.719 366 H GLY 47 H GLY 47 -8.527 7.390 -0.124 367 HA2 GLY 47 2HA GLY 47 -8.988 6.942 2.287 368 HA3 GLY 47 3HA GLY 47 -8.002 5.500 2.082 369 H THR 48 H THR 48 -6.956 6.621 3.975 370 HA THR 48 HA THR 48 -5.166 8.793 3.205 371 HB THR 48 HB THR 48 -4.557 8.826 5.619 372 HG1 THR 48 HG1 THR 48 -6.525 7.389 6.644 373 HG21 THR 48 3HG2 THR 48 -7.521 8.912 5.041 374 HG22 THR 48 1HG2 THR 48 -6.381 10.238 4.815 375 HG23 THR 48 2HG2 THR 48 -6.732 9.642 6.439 376 H LYS 49 H LYS 49 -2.887 8.627 4.055 377 HA LYS 49 HA LYS 49 -1.478 6.563 2.854 378 HB2 LYS 49 2HB LYS 49 -0.417 8.668 3.426 379 HB3 LYS 49 3HB LYS 49 -0.653 8.364 5.141 380 HG2 LYS 49 2HG LYS 49 0.888 6.472 5.024 381 HG3 LYS 49 3HG LYS 49 1.111 6.760 3.296 382 HD2 LYS 49 2HD LYS 49 2.078 8.930 3.746 383 HD3 LYS 49 3HD LYS 49 1.758 8.748 5.473 384 HE2 LYS 49 2HE LYS 49 3.284 6.847 5.560 385 HE3 LYS 49 3HE LYS 49 3.583 6.992 3.829 386 HZ1 LYS 49 3HZ LYS 49 4.212 9.081 5.844 387 HZ2 LYS 49 1HZ LYS 49 4.559 9.151 4.187 388 HZ3 LYS 49 2HZ LYS 49 5.336 8.009 5.174 389 H THR 50 H THR 50 -2.537 6.878 6.215 390 HA THR 50 HA THR 50 -1.232 4.679 7.319 391 HB THR 50 HB THR 50 -4.005 5.553 8.126 392 HG1 THR 50 HG1 THR 50 -3.214 7.439 8.680 393 HG21 THR 50 3HG2 THR 50 -1.614 4.554 9.684 394 HG22 THR 50 1HG2 THR 50 -3.076 3.636 9.323 395 HG23 THR 50 2HG2 THR 50 -3.159 5.042 10.384 396 H GLU 51 H GLU 51 -4.342 4.910 5.645 397 HA GLU 51 HA GLU 51 -5.121 2.213 6.031 398 HB2 GLU 51 2HB GLU 51 -5.907 4.213 3.910 399 HB3 GLU 51 3HB GLU 51 -6.680 2.652 4.131 400 HG2 GLU 51 2HG GLU 51 -7.423 3.297 6.340 401 HG3 GLU 51 3HG GLU 51 -6.589 4.843 6.185 402 H LEU 52 H LEU 52 -3.489 3.895 3.379 403 HA LEU 52 HA LEU 52 -3.460 1.797 1.543 404 HB2 LEU 52 2HB LEU 52 -1.364 3.945 1.869 405 HB3 LEU 52 3HB LEU 52 -1.676 3.007 0.422 406 HG LEU 52 HG LEU 52 -3.504 5.066 1.659 407 HD11 LEU 52 1HD1 LEU 52 -1.595 5.986 0.445 408 HD12 LEU 52 2HD1 LEU 52 -3.112 6.304 -0.393 409 HD13 LEU 52 3HD1 LEU 52 -2.036 5.033 -0.972 410 HD21 LEU 52 3HD2 LEU 52 -4.988 4.665 -0.234 411 HD22 LEU 52 1HD2 LEU 52 -4.800 3.205 0.741 412 HD23 LEU 52 2HD2 LEU 52 -3.940 3.361 -0.791 413 H ILE 53 H ILE 53 -1.135 2.656 4.066 414 HA ILE 53 HA ILE 53 0.845 0.763 3.454 415 HB ILE 53 HB ILE 53 0.079 1.911 6.143 416 HG12 ILE 53 2HG1 ILE 53 2.238 2.773 4.206 417 HG13 ILE 53 3HG1 ILE 53 0.685 3.581 4.396 418 HG21 ILE 53 1HG2 ILE 53 2.601 0.513 5.270 419 HG22 ILE 53 2HG2 ILE 53 1.408 -0.092 6.420 420 HG23 ILE 53 3HG2 ILE 53 2.373 1.331 6.814 421 HD11 ILE 53 3HD1 ILE 53 2.820 3.306 6.497 422 HD12 ILE 53 1HD1 ILE 53 1.250 4.074 6.730 423 HD13 ILE 53 2HD1 ILE 53 2.410 4.766 5.596 424 H GLU 54 H GLU 54 -1.815 0.593 5.818 425 HA GLU 54 HA GLU 54 -1.259 -2.064 6.617 426 HB2 GLU 54 2HB GLU 54 -3.755 -0.391 6.885 427 HB3 GLU 54 3HB GLU 54 -3.526 -1.952 7.663 428 HG2 GLU 54 2HG GLU 54 -1.719 0.416 8.089 429 HG3 GLU 54 3HG GLU 54 -3.096 0.028 9.119 430 H ARG 55 H ARG 55 -3.327 -0.693 4.140 431 HA ARG 55 HA ARG 55 -4.803 -3.008 3.511 432 HB2 ARG 55 2HB ARG 55 -5.341 -0.684 2.773 433 HB3 ARG 55 3HB ARG 55 -3.990 -0.767 1.651 434 HG2 ARG 55 2HG ARG 55 -5.057 -2.396 0.330 435 HG3 ARG 55 3HG ARG 55 -6.274 -2.716 1.571 436 HD2 ARG 55 2HD ARG 55 -5.948 -0.148 0.016 437 HD3 ARG 55 3HD ARG 55 -7.198 -1.365 -0.242 438 HE ARG 55 HE ARG 55 -7.703 -0.820 2.266 439 HH11 ARG 55 1HH1 ARG 55 -6.856 1.443 -0.281 440 HH12 ARG 55 2HH1 ARG 55 -7.678 2.781 0.469 441 HH21 ARG 55 1HH2 ARG 55 -8.767 0.932 3.251 442 HH22 ARG 55 2HH2 ARG 55 -8.754 2.491 2.489 443 H LEU 56 H LEU 56 -1.804 -1.696 2.127 444 HA LEU 56 HA LEU 56 -1.276 -3.763 0.312 445 HB2 LEU 56 2HB LEU 56 0.479 -1.837 1.799 446 HB3 LEU 56 3HB LEU 56 1.170 -3.058 0.748 447 HG LEU 56 HG LEU 56 -0.822 -0.972 -0.156 448 HD11 LEU 56 1HD1 LEU 56 1.280 0.064 0.524 449 HD12 LEU 56 2HD1 LEU 56 1.077 0.117 -1.227 450 HD13 LEU 56 3HD1 LEU 56 2.173 -1.060 -0.504 451 HD21 LEU 56 3HD2 LEU 56 -0.845 -3.020 -1.489 452 HD22 LEU 56 1HD2 LEU 56 0.904 -2.913 -1.694 453 HD23 LEU 56 2HD2 LEU 56 -0.144 -1.682 -2.398 454 H ARG 57 H ARG 57 -0.356 -3.364 3.705 455 HA ARG 57 HA ARG 57 1.180 -5.691 3.951 456 HB2 ARG 57 2HB ARG 57 -0.389 -4.090 5.955 457 HB3 ARG 57 3HB ARG 57 0.540 -5.510 6.417 458 HG2 ARG 57 2HG ARG 57 2.577 -4.477 5.653 459 HG3 ARG 57 3HG ARG 57 1.678 -3.082 5.050 460 HD2 ARG 57 2HD ARG 57 1.027 -2.455 7.254 461 HD3 ARG 57 3HD ARG 57 1.659 -3.958 7.927 462 HE ARG 57 HE ARG 57 3.863 -2.893 6.859 463 HH11 ARG 57 1HH1 ARG 57 1.357 -1.458 8.863 464 HH12 ARG 57 2HH1 ARG 57 2.458 -0.364 9.652 465 HH21 ARG 57 1HH2 ARG 57 5.294 -1.427 7.887 466 HH22 ARG 57 2HH2 ARG 57 4.682 -0.335 9.096 467 H ALA 58 H ALA 58 -2.256 -5.174 4.706 468 HA ALA 58 HA ALA 58 -2.787 -7.777 5.596 469 HB1 ALA 58 3HB ALA 58 -4.685 -5.821 4.310 470 HB2 ALA 58 1HB ALA 58 -4.269 -5.885 6.022 471 HB3 ALA 58 2HB ALA 58 -5.138 -7.226 5.275 472 H TYR 59 H TYR 59 -2.693 -6.413 2.379 473 HA TYR 59 HA TYR 59 -3.920 -8.673 1.114 474 HB2 TYR 59 2HB TYR 59 -4.025 -6.468 0.070 475 HB3 TYR 59 3HB TYR 59 -2.267 -6.414 -0.041 476 HD1 TYR 59 HD2 TYR 59 -5.202 -8.412 -1.176 477 HD2 TYR 59 HD1 TYR 59 -1.211 -7.173 -1.975 478 HE1 TYR 59 HE2 TYR 59 -5.313 -9.500 -3.379 479 HE2 TYR 59 HE1 TYR 59 -1.310 -8.253 -4.182 480 HH TYR 59 HH TYR 59 -4.200 -9.305 -5.590 481 H GLN 60 H GLN 60 -0.572 -7.526 1.517 482 HA GLN 60 HA GLN 60 0.533 -9.660 -0.021 483 HB2 GLN 60 2HB GLN 60 1.607 -7.427 0.305 484 HB3 GLN 60 3HB GLN 60 1.937 -7.877 1.970 485 HG2 GLN 60 2HG GLN 60 2.905 -9.789 -0.033 486 HG3 GLN 60 3HG GLN 60 3.657 -8.199 -0.092 487 HE21 GLN 60 1HE2 GLN 60 3.217 -11.091 1.756 488 HE22 GLN 60 2HE2 GLN 60 4.441 -10.771 2.944 489 H ASP 61 H ASP 61 -0.092 -9.156 3.386 490 HA ASP 61 HA ASP 61 1.538 -11.170 4.447 491 HB2 ASP 61 2HB ASP 61 0.396 -9.376 5.764 492 HB3 ASP 61 3HB ASP 61 -1.124 -10.236 5.546 493 H GLN 62 H GLN 62 -1.754 -11.301 3.178 494 HA GLN 62 HA GLN 62 -2.113 -14.046 3.956 495 HB2 GLN 62 2HB GLN 62 -4.251 -13.902 2.776 496 HB3 GLN 62 3HB GLN 62 -4.035 -12.553 3.877 497 HG2 GLN 62 2HG GLN 62 -3.364 -11.145 1.969 498 HG3 GLN 62 3HG GLN 62 -3.687 -12.499 0.889 499 HE21 GLN 62 1HE2 GLN 62 -5.062 -10.054 2.912 500 HE22 GLN 62 2HE2 GLN 62 -6.704 -10.251 2.390 501 H ILE 63 H ILE 63 -0.619 -12.474 1.349 502 HA ILE 63 HA ILE 63 -0.928 -14.507 -0.630 503 HB ILE 63 HB ILE 63 1.209 -12.390 -0.289 504 HG12 ILE 63 2HG1 ILE 63 -1.153 -12.553 -2.172 505 HG13 ILE 63 3HG1 ILE 63 -1.078 -11.551 -0.726 506 HG21 ILE 63 1HG2 ILE 63 1.832 -12.854 -2.616 507 HG22 ILE 63 2HG2 ILE 63 0.703 -14.208 -2.644 508 HG23 ILE 63 3HG2 ILE 63 2.105 -14.252 -1.575 509 HD11 ILE 63 3HD1 ILE 63 0.720 -11.288 -3.128 510 HD12 ILE 63 1HD1 ILE 63 0.731 -10.254 -1.700 511 HD13 ILE 63 2HD1 ILE 63 -0.673 -10.270 -2.766 512 H SER 64 H SER 64 1.249 -13.911 2.042 513 HA SER 64 HA SER 64 3.006 -16.098 1.487 514 HB2 SER 64 2HB SER 64 3.564 -14.096 2.950 515 HB3 SER 64 3HB SER 64 2.489 -14.778 4.170 516 HG SER 64 HG SER 64 4.217 -15.819 4.779 517 HA PRO 65 HA PRO 65 0.400 -19.473 2.686 518 HB2 PRO 65 2HB PRO 65 2.829 -20.579 4.000 519 HB3 PRO 65 3HB PRO 65 1.767 -21.315 2.796 520 HG2 PRO 65 2HG PRO 65 4.184 -20.403 2.127 521 HG3 PRO 65 3HG PRO 65 2.798 -20.234 1.031 522 HD2 PRO 65 2HD PRO 65 4.118 -18.187 2.762 523 HD3 PRO 65 3HD PRO 65 3.399 -18.011 1.148 524 H VAL 66 H VAL 66 -0.995 -18.797 4.254 525 HA VAL 66 HA VAL 66 -0.041 -18.256 6.929 526 HB VAL 66 HB VAL 66 -2.445 -17.879 7.482 527 HG11 VAL 66 1HG1 VAL 66 -1.003 -16.047 6.741 528 HG12 VAL 66 2HG1 VAL 66 -2.667 -15.817 6.201 529 HG13 VAL 66 3HG1 VAL 66 -1.442 -16.380 5.065 530 HG21 VAL 66 3HG2 VAL 66 -2.877 -18.415 4.545 531 HG22 VAL 66 1HG2 VAL 66 -4.082 -17.768 5.658 532 HG23 VAL 66 2HG2 VAL 66 -3.464 -19.406 5.881 533 HA PRO 67 HA PRO 67 -0.782 -22.466 8.136 534 HB2 PRO 67 2HB PRO 67 0.663 -22.387 10.378 535 HB3 PRO 67 3HB PRO 67 1.433 -22.264 8.792 536 HG2 PRO 67 2HG PRO 67 0.953 -20.168 10.828 537 HG3 PRO 67 3HG PRO 67 2.232 -20.282 9.609 538 HD2 PRO 67 2HD PRO 67 -0.193 -18.770 9.476 539 HD3 PRO 67 3HD PRO 67 1.050 -18.935 8.219 540 H GLY 68 H GLY 68 -2.522 -19.990 9.092 541 HA2 GLY 68 2HA GLY 68 -3.918 -21.534 11.138 542 HA3 GLY 68 3HA GLY 68 -3.356 -19.932 11.593 543 H ALA 69 H ALA 69 -3.905 -18.278 9.720 544 HA ALA 69 HA ALA 69 -5.441 -17.108 8.532 545 HB1 ALA 69 3HB ALA 69 -7.020 -19.671 8.351 546 HB2 ALA 69 1HB ALA 69 -5.793 -19.137 7.201 547 HB3 ALA 69 2HB ALA 69 -7.281 -18.211 7.398 548 HA PRO 70 HA PRO 70 -7.930 -16.065 12.128 549 HB2 PRO 70 2HB PRO 70 -8.301 -13.471 11.430 550 HB3 PRO 70 3HB PRO 70 -6.815 -14.058 12.185 551 HG2 PRO 70 2HG PRO 70 -7.379 -13.479 9.307 552 HG3 PRO 70 3HG PRO 70 -5.925 -13.127 10.259 553 HD2 PRO 70 2HD PRO 70 -6.122 -15.244 8.548 554 HD3 PRO 70 3HD PRO 70 -5.091 -15.248 9.994 555 H LYS 71 H LYS 71 -10.120 -15.410 12.452 556 HA LYS 71 HA LYS 71 -11.802 -16.152 10.189 557 HB2 LYS 71 2HB LYS 71 -13.615 -16.311 11.832 558 HB3 LYS 71 3HB LYS 71 -12.221 -17.261 12.327 559 HG2 LYS 71 2HG LYS 71 -11.594 -15.607 13.943 560 HG3 LYS 71 3HG LYS 71 -12.839 -14.504 13.359 561 HD2 LYS 71 2HD LYS 71 -13.591 -15.574 15.395 562 HD3 LYS 71 3HD LYS 71 -14.565 -16.130 14.033 563 HE2 LYS 71 2HE LYS 71 -13.038 -18.128 13.901 564 HE3 LYS 71 3HE LYS 71 -12.341 -17.601 15.433 565 HZ1 LYS 71 3HZ LYS 71 -14.575 -17.733 16.411 566 HZ2 LYS 71 1HZ LYS 71 -14.038 -19.234 15.822 567 HZ3 LYS 71 2HZ LYS 71 -15.177 -18.331 14.944 568 H ALA 72 H ALA 72 -13.750 -14.966 9.710 569 HA ALA 72 HA ALA 72 -13.730 -12.128 10.423 570 HB1 ALA 72 3HB ALA 72 -12.420 -12.298 8.355 571 HB2 ALA 72 1HB ALA 72 -13.946 -11.456 8.076 572 HB3 ALA 72 2HB ALA 72 -13.760 -13.137 7.575 573 HA PRO 73 HA PRO 73 -18.165 -12.666 10.333 574 HB2 PRO 73 2HB PRO 73 -19.018 -10.269 9.365 575 HB3 PRO 73 3HB PRO 73 -18.421 -10.486 11.014 576 HG2 PRO 73 2HG PRO 73 -16.991 -9.428 8.608 577 HG3 PRO 73 3HG PRO 73 -16.975 -8.824 10.275 578 HD2 PRO 73 2HD PRO 73 -14.972 -10.329 9.265 579 HD3 PRO 73 3HD PRO 73 -15.458 -10.419 10.971 580 H ALA 74 H ALA 74 -19.578 -13.592 8.948 581 HA ALA 74 HA ALA 74 -18.947 -13.437 6.080 582 HB1 ALA 74 3HB ALA 74 -18.954 -15.676 7.066 583 HB2 ALA 74 1HB ALA 74 -20.222 -15.504 5.853 584 HB3 ALA 74 2HB ALA 74 -20.632 -15.455 7.567 585 H ALA 75 H ALA 75 -22.050 -14.309 7.508 586 HA ALA 75 HA ALA 75 -23.288 -11.815 6.746 587 HB1 ALA 75 3HB ALA 75 -24.837 -12.770 5.129 588 HB2 ALA 75 1HB ALA 75 -24.052 -14.344 5.282 589 HB3 ALA 75 2HB ALA 75 -23.173 -12.983 4.584 Start of MODEL 15 1 H1 MET 1 1H MET 1 11.032 32.109 -3.974 2 H2 MET 1 2H MET 1 11.442 31.512 -5.513 3 H3 MET 1 3H MET 1 12.552 31.411 -4.237 4 HA MET 1 HA MET 1 11.246 29.860 -3.074 5 HB2 MET 1 2HB MET 1 9.132 28.985 -4.087 6 HB3 MET 1 3HB MET 1 9.036 30.647 -3.525 7 HG2 MET 1 2HG MET 1 9.250 31.454 -5.806 8 HG3 MET 1 3HG MET 1 9.422 29.801 -6.393 9 HE1 MET 1 3HE MET 1 7.471 30.244 -8.148 10 HE2 MET 1 1HE MET 1 7.280 31.894 -7.548 11 HE3 MET 1 2HE MET 1 5.873 30.843 -7.704 12 H GLY 2 H GLY 2 12.983 28.617 -3.482 13 HA2 GLY 2 2HA GLY 2 12.827 26.961 -5.910 14 HA3 GLY 2 3HA GLY 2 14.350 27.710 -5.455 15 H HIS 3 H HIS 3 15.676 26.297 -4.583 16 HA HIS 3 HA HIS 3 16.512 24.585 -3.321 17 HB2 HIS 3 2HB HIS 3 14.026 25.118 -1.673 18 HB3 HIS 3 3HB HIS 3 15.313 24.024 -1.189 19 HD1 HIS 3 HD1 HIS 3 16.151 25.270 0.813 20 HD2 HIS 3 HD2 HIS 3 15.977 27.650 -2.593 21 HE1 HIS 3 HE1 HIS 3 17.277 27.433 1.434 22 HE2 HIS 3 HE2 HIS 3 17.059 28.904 -0.607 23 H HIS 4 H HIS 4 14.758 24.130 -5.571 24 HA HIS 4 HA HIS 4 13.053 21.877 -4.864 25 HB2 HIS 4 2HB HIS 4 12.756 23.903 -6.644 26 HB3 HIS 4 3HB HIS 4 13.404 22.654 -7.697 27 HD1 HIS 4 HD1 HIS 4 10.326 23.980 -6.899 28 HD2 HIS 4 HD2 HIS 4 11.755 20.076 -6.963 29 HE1 HIS 4 HE1 HIS 4 8.291 22.518 -7.093 30 HE2 HIS 4 HE2 HIS 4 9.205 20.189 -7.389 31 H HIS 5 H HIS 5 16.141 21.986 -5.041 32 HA HIS 5 HA HIS 5 16.960 20.295 -7.137 33 HB2 HIS 5 2HB HIS 5 18.429 21.766 -5.684 34 HB3 HIS 5 3HB HIS 5 18.272 20.544 -4.427 35 HD1 HIS 5 HD1 HIS 5 19.874 18.609 -4.524 36 HD2 HIS 5 HD2 HIS 5 19.785 20.806 -8.054 37 HE1 HIS 5 HE1 HIS 5 21.730 17.683 -5.949 38 HE2 HIS 5 HE2 HIS 5 21.746 19.120 -8.021 39 H HIS 6 H HIS 6 17.036 18.118 -7.327 40 HA HIS 6 HA HIS 6 15.184 16.607 -5.840 41 HB2 HIS 6 2HB HIS 6 17.329 15.803 -7.801 42 HB3 HIS 6 3HB HIS 6 16.244 14.634 -7.057 43 HD1 HIS 6 HD1 HIS 6 15.628 14.283 -9.708 44 HD2 HIS 6 HD2 HIS 6 14.320 17.791 -7.888 45 HE1 HIS 6 HE1 HIS 6 13.803 15.186 -11.192 46 HE2 HIS 6 HE2 HIS 6 12.940 17.237 -10.004 47 H HIS 7 H HIS 7 15.426 16.142 -3.789 48 HA HIS 7 HA HIS 7 17.957 15.668 -2.548 49 HB2 HIS 7 2HB HIS 7 15.115 15.314 -1.595 50 HB3 HIS 7 3HB HIS 7 16.508 14.941 -0.588 51 HD1 HIS 7 HD1 HIS 7 14.244 17.633 -1.350 52 HD2 HIS 7 HD2 HIS 7 18.256 17.335 -0.281 53 HE1 HIS 7 HE1 HIS 7 14.894 19.909 -0.501 54 HE2 HIS 7 HE2 HIS 7 17.239 19.621 0.374 55 H HIS 8 H HIS 8 15.680 13.736 -4.213 56 HA HIS 8 HA HIS 8 17.362 11.389 -3.699 57 HB2 HIS 8 2HB HIS 8 15.401 9.915 -3.755 58 HB3 HIS 8 3HB HIS 8 15.265 11.074 -2.441 59 HD1 HIS 8 HD1 HIS 8 13.132 12.396 -2.334 60 HD2 HIS 8 HD2 HIS 8 13.707 10.600 -6.049 61 HE1 HIS 8 HE1 HIS 8 11.027 12.833 -3.637 62 HE2 HIS 8 HE2 HIS 8 11.472 11.906 -5.940 63 H SER 9 H SER 9 17.170 9.755 -5.494 64 HA SER 9 HA SER 9 17.281 11.157 -8.018 65 HB2 SER 9 2HB SER 9 18.914 9.365 -7.371 66 HB3 SER 9 3HB SER 9 17.601 8.195 -7.469 67 HG SER 9 HG SER 9 18.607 8.139 -9.425 68 H HIS 10 H HIS 10 15.707 11.263 -9.480 69 HA HIS 10 HA HIS 10 13.088 10.422 -8.848 70 HB2 HIS 10 2HB HIS 10 13.682 12.390 -10.285 71 HB3 HIS 10 3HB HIS 10 14.129 11.265 -11.562 72 HD1 HIS 10 HD1 HIS 10 12.349 11.304 -13.276 73 HD2 HIS 10 HD2 HIS 10 10.793 11.487 -9.421 74 HE1 HIS 10 HE1 HIS 10 9.850 11.335 -13.549 75 HE2 HIS 10 HE2 HIS 10 8.947 11.668 -11.223 76 H MET 11 H MET 11 15.686 8.854 -10.497 77 HA MET 11 HA MET 11 13.857 6.719 -11.345 78 HB2 MET 11 2HB MET 11 15.331 7.576 -13.121 79 HB3 MET 11 3HB MET 11 16.741 7.175 -12.146 80 HG2 MET 11 2HG MET 11 16.238 4.829 -12.297 81 HG3 MET 11 3HG MET 11 14.723 5.167 -13.126 82 HE1 MET 11 3HE MET 11 14.519 5.995 -15.589 83 HE2 MET 11 1HE MET 11 15.890 6.468 -16.593 84 HE3 MET 11 2HE MET 11 15.461 7.430 -15.178 85 H SER 12 H SER 12 13.542 5.807 -9.348 86 HA SER 12 HA SER 12 15.738 4.113 -8.453 87 HB2 SER 12 2HB SER 12 14.900 4.624 -6.040 88 HB3 SER 12 3HB SER 12 15.976 5.779 -6.824 89 HG SER 12 HG SER 12 14.310 7.151 -7.141 90 H THR 13 H THR 13 15.026 2.171 -7.435 91 HA THR 13 HA THR 13 12.177 1.601 -7.884 92 HB THR 13 HB THR 13 13.194 -0.813 -8.318 93 HG1 THR 13 HG1 THR 13 15.364 -0.262 -8.070 94 HG21 THR 13 3HG2 THR 13 11.772 0.422 -9.879 95 HG22 THR 13 1HG2 THR 13 13.117 -0.347 -10.719 96 HG23 THR 13 2HG2 THR 13 13.161 1.383 -10.391 97 HA PRO 14 HA PRO 14 12.680 0.149 -3.624 98 HB2 PRO 14 2HB PRO 14 9.847 0.540 -3.327 99 HB3 PRO 14 3HB PRO 14 11.153 1.482 -2.609 100 HG2 PRO 14 2HG PRO 14 9.413 2.436 -4.517 101 HG3 PRO 14 3HG PRO 14 11.030 3.095 -4.214 102 HD2 PRO 14 2HD PRO 14 10.119 1.217 -6.358 103 HD3 PRO 14 3HD PRO 14 11.282 2.559 -6.448 104 H LEU 15 H LEU 15 12.947 -2.024 -3.790 105 HA LEU 15 HA LEU 15 10.569 -3.665 -3.968 106 HB2 LEU 15 2HB LEU 15 11.293 -3.384 -6.333 107 HB3 LEU 15 3HB LEU 15 12.852 -4.067 -5.910 108 HG LEU 15 HG LEU 15 11.723 -6.190 -5.294 109 HD11 LEU 15 1HD1 LEU 15 9.400 -6.538 -5.991 110 HD12 LEU 15 2HD1 LEU 15 9.275 -4.828 -6.406 111 HD13 LEU 15 3HD1 LEU 15 9.533 -5.313 -4.730 112 HD21 LEU 15 3HD2 LEU 15 12.684 -5.836 -7.535 113 HD22 LEU 15 1HD2 LEU 15 11.118 -5.256 -8.098 114 HD23 LEU 15 2HD2 LEU 15 11.299 -6.928 -7.560 115 H THR 16 H THR 16 10.774 -4.969 -2.259 116 HA THR 16 HA THR 16 13.458 -5.694 -1.350 117 HB THR 16 HB THR 16 10.815 -6.037 0.082 118 HG1 THR 16 HG1 THR 16 12.622 -3.903 -0.131 119 HG21 THR 16 3HG2 THR 16 13.659 -6.208 1.075 120 HG22 THR 16 1HG2 THR 16 12.557 -7.564 0.861 121 HG23 THR 16 2HG2 THR 16 12.213 -6.332 2.074 122 H GLY 17 H GLY 17 14.162 -7.481 -2.352 123 HA2 GLY 17 2HA GLY 17 14.389 -9.778 -2.485 124 HA3 GLY 17 3HA GLY 17 12.819 -9.956 -1.724 125 H LYS 18 H LYS 18 10.910 -9.656 -3.079 126 HA LYS 18 HA LYS 18 11.446 -10.418 -5.876 127 HB2 LYS 18 2HB LYS 18 9.445 -11.732 -4.025 128 HB3 LYS 18 3HB LYS 18 9.684 -12.121 -5.723 129 HG2 LYS 18 2HG LYS 18 11.752 -12.457 -3.563 130 HG3 LYS 18 3HG LYS 18 10.737 -13.744 -4.212 131 HD2 LYS 18 2HD LYS 18 11.731 -13.480 -6.399 132 HD3 LYS 18 3HD LYS 18 12.662 -12.087 -5.844 133 HE2 LYS 18 2HE LYS 18 14.033 -14.110 -5.935 134 HE3 LYS 18 3HE LYS 18 13.883 -13.500 -4.288 135 HZ1 LYS 18 3HZ LYS 18 12.191 -15.176 -3.860 136 HZ2 LYS 18 1HZ LYS 18 13.633 -15.899 -4.376 137 HZ3 LYS 18 2HZ LYS 18 12.331 -15.755 -5.448 138 HA PRO 19 HA PRO 19 8.330 -7.436 -6.963 139 HB2 PRO 19 2HB PRO 19 7.592 -9.349 -9.104 140 HB3 PRO 19 3HB PRO 19 8.095 -7.661 -9.231 141 HG2 PRO 19 2HG PRO 19 9.744 -9.636 -9.935 142 HG3 PRO 19 3HG PRO 19 10.347 -8.182 -9.118 143 HD2 PRO 19 2HD PRO 19 9.837 -10.913 -8.002 144 HD3 PRO 19 3HD PRO 19 11.169 -9.787 -7.666 145 H GLY 20 H GLY 20 6.615 -7.324 -5.659 146 HA2 GLY 20 2HA GLY 20 4.187 -8.068 -5.649 147 HA3 GLY 20 3HA GLY 20 4.857 -9.684 -5.454 148 H ALA 21 H ALA 21 7.016 -8.891 -3.757 149 HA ALA 21 HA ALA 21 5.635 -8.958 -1.249 150 HB1 ALA 21 3HB ALA 21 8.585 -8.741 -1.838 151 HB2 ALA 21 1HB ALA 21 7.687 -10.239 -1.593 152 HB3 ALA 21 2HB ALA 21 7.871 -9.092 -0.264 153 H LEU 22 H LEU 22 6.004 -7.468 0.503 154 HA LEU 22 HA LEU 22 5.823 -4.729 -0.430 155 HB2 LEU 22 2HB LEU 22 5.604 -5.823 2.374 156 HB3 LEU 22 3HB LEU 22 5.170 -4.206 1.857 157 HG LEU 22 HG LEU 22 3.799 -6.740 0.971 158 HD11 LEU 22 1HD1 LEU 22 1.950 -5.967 2.370 159 HD12 LEU 22 2HD1 LEU 22 2.940 -4.619 2.928 160 HD13 LEU 22 3HD1 LEU 22 3.404 -6.274 3.321 161 HD21 LEU 22 3HD2 LEU 22 3.726 -4.944 -0.702 162 HD22 LEU 22 1HD2 LEU 22 3.057 -3.854 0.512 163 HD23 LEU 22 2HD2 LEU 22 2.138 -5.269 -0.005 164 HA PRO 23 HA PRO 23 10.042 -3.749 0.785 165 HB2 PRO 23 2HB PRO 23 9.788 -1.053 0.458 166 HB3 PRO 23 3HB PRO 23 10.073 -2.164 -0.886 167 HG2 PRO 23 2HG PRO 23 7.513 -0.922 0.041 168 HG3 PRO 23 3HG PRO 23 8.106 -1.161 -1.614 169 HD2 PRO 23 2HD PRO 23 6.264 -2.784 -0.473 170 HD3 PRO 23 3HD PRO 23 7.441 -3.367 -1.665 171 H ALA 24 H ALA 24 10.879 -3.174 2.743 172 HA ALA 24 HA ALA 24 9.042 -2.866 4.906 173 HB1 ALA 24 3HB ALA 24 11.088 -4.178 5.120 174 HB2 ALA 24 1HB ALA 24 11.015 -2.899 6.331 175 HB3 ALA 24 2HB ALA 24 12.052 -2.715 4.916 176 H ASN 25 H ASN 25 9.892 -0.614 2.785 177 HA ASN 25 HA ASN 25 10.302 1.526 4.754 178 HB2 ASN 25 2HB ASN 25 10.766 1.552 1.764 179 HB3 ASN 25 3HB ASN 25 11.102 2.886 2.864 180 HD21 ASN 25 1HD2 ASN 25 12.870 2.760 4.252 181 HD22 ASN 25 2HD2 ASN 25 14.108 1.561 4.064 182 H LEU 26 H LEU 26 7.745 0.130 3.753 183 HA LEU 26 HA LEU 26 6.175 1.815 2.224 184 HB2 LEU 26 2HB LEU 26 5.392 0.036 4.528 185 HB3 LEU 26 3HB LEU 26 4.228 0.846 3.499 186 HG LEU 26 HG LEU 26 6.253 -1.188 2.561 187 HD11 LEU 26 1HD1 LEU 26 4.337 -2.664 2.296 188 HD12 LEU 26 2HD1 LEU 26 3.274 -1.424 2.957 189 HD13 LEU 26 3HD1 LEU 26 4.506 -2.162 3.977 190 HD21 LEU 26 3HD2 LEU 26 3.961 0.133 1.114 191 HD22 LEU 26 1HD2 LEU 26 5.026 -1.113 0.462 192 HD23 LEU 26 2HD2 LEU 26 5.672 0.479 0.860 193 H ASP 27 H ASP 27 6.685 1.894 5.726 194 HA ASP 27 HA ASP 27 4.808 3.916 6.293 195 HB2 ASP 27 2HB ASP 27 7.297 3.105 7.809 196 HB3 ASP 27 3HB ASP 27 6.029 4.147 8.445 197 H ASP 28 H ASP 28 8.034 4.029 5.074 198 HA ASP 28 HA ASP 28 8.442 6.800 5.813 199 HB2 ASP 28 2HB ASP 28 10.379 5.417 5.949 200 HB3 ASP 28 3HB ASP 28 10.140 4.801 4.317 201 H MET 29 H MET 29 7.516 4.948 3.012 202 HA MET 29 HA MET 29 8.174 6.905 1.076 203 HB2 MET 29 2HB MET 29 6.244 4.591 0.927 204 HB3 MET 29 3HB MET 29 6.695 5.594 -0.445 205 HG2 MET 29 2HG MET 29 9.102 4.941 0.125 206 HG3 MET 29 3HG MET 29 8.375 3.670 1.107 207 HE1 MET 29 3HE MET 29 6.699 1.827 0.091 208 HE2 MET 29 1HE MET 29 6.337 1.680 -1.627 209 HE3 MET 29 2HE MET 29 5.730 3.060 -0.714 210 H LYS 30 H LYS 30 6.616 7.969 -0.341 211 HA LYS 30 HA LYS 30 4.790 9.518 1.263 212 HB2 LYS 30 2HB LYS 30 5.481 9.711 -1.679 213 HB3 LYS 30 3HB LYS 30 4.528 10.878 -0.776 214 HG2 LYS 30 2HG LYS 30 6.366 11.952 -0.207 215 HG3 LYS 30 3HG LYS 30 7.012 10.496 0.556 216 HD2 LYS 30 2HD LYS 30 7.123 10.552 -2.386 217 HD3 LYS 30 3HD LYS 30 8.149 11.720 -1.566 218 HE2 LYS 30 2HE LYS 30 9.233 9.962 -0.319 219 HE3 LYS 30 3HE LYS 30 8.112 8.766 -0.973 220 HZ1 LYS 30 3HZ LYS 30 10.410 8.939 -2.029 221 HZ2 LYS 30 1HZ LYS 30 9.851 10.368 -2.739 222 HZ3 LYS 30 2HZ LYS 30 9.075 8.901 -3.077 223 H VAL 31 H VAL 31 2.589 9.989 0.486 224 HA VAL 31 HA VAL 31 1.004 7.720 0.251 225 HB VAL 31 HB VAL 31 0.286 10.502 -0.699 226 HG11 VAL 31 1HG1 VAL 31 -2.021 9.843 -0.226 227 HG12 VAL 31 2HG1 VAL 31 -1.469 8.225 0.208 228 HG13 VAL 31 3HG1 VAL 31 -1.291 8.804 -1.450 229 HG21 VAL 31 3HG2 VAL 31 -0.037 9.271 2.035 230 HG22 VAL 31 1HG2 VAL 31 -0.611 10.864 1.541 231 HG23 VAL 31 2HG2 VAL 31 1.120 10.528 1.598 232 H ALA 32 H ALA 32 2.262 9.835 -2.283 233 HA ALA 32 HA ALA 32 0.842 8.740 -4.448 234 HB1 ALA 32 3HB ALA 32 2.508 9.837 -5.858 235 HB2 ALA 32 1HB ALA 32 3.533 10.102 -4.447 236 HB3 ALA 32 2HB ALA 32 1.965 10.902 -4.562 237 H GLU 33 H GLU 33 3.863 7.826 -2.910 238 HA GLU 33 HA GLU 33 4.748 6.007 -4.903 239 HB2 GLU 33 2HB GLU 33 5.408 5.677 -1.992 240 HB3 GLU 33 3HB GLU 33 6.421 5.372 -3.391 241 HG2 GLU 33 2HG GLU 33 5.584 8.114 -2.496 242 HG3 GLU 33 3HG GLU 33 7.085 7.334 -2.013 243 H LEU 34 H LEU 34 2.871 5.719 -1.943 244 HA LEU 34 HA LEU 34 2.591 2.928 -1.885 245 HB2 LEU 34 2HB LEU 34 0.663 5.035 -0.903 246 HB3 LEU 34 3HB LEU 34 0.660 3.346 -0.432 247 HG LEU 34 HG LEU 34 2.898 5.290 0.147 248 HD11 LEU 34 1HD1 LEU 34 0.742 4.193 1.949 249 HD12 LEU 34 2HD1 LEU 34 0.877 5.857 1.382 250 HD13 LEU 34 3HD1 LEU 34 2.104 5.190 2.458 251 HD21 LEU 34 3HD2 LEU 34 3.713 3.519 1.633 252 HD22 LEU 34 1HD2 LEU 34 3.670 2.991 -0.048 253 HD23 LEU 34 2HD2 LEU 34 2.419 2.460 1.075 254 H LYS 35 H LYS 35 0.591 5.458 -3.355 255 HA LYS 35 HA LYS 35 -1.442 3.750 -4.292 256 HB2 LYS 35 2HB LYS 35 -0.534 6.448 -5.298 257 HB3 LYS 35 3HB LYS 35 -1.987 5.628 -5.858 258 HG2 LYS 35 2HG LYS 35 -2.786 5.619 -3.487 259 HG3 LYS 35 3HG LYS 35 -1.405 6.642 -3.087 260 HD2 LYS 35 2HD LYS 35 -2.184 8.342 -4.630 261 HD3 LYS 35 3HD LYS 35 -3.533 7.314 -5.114 262 HE2 LYS 35 2HE LYS 35 -4.321 7.343 -2.755 263 HE3 LYS 35 3HE LYS 35 -3.042 8.498 -2.387 264 HZ1 LYS 35 3HZ LYS 35 -4.016 10.015 -4.008 265 HZ2 LYS 35 1HZ LYS 35 -5.116 9.627 -2.776 266 HZ3 LYS 35 2HZ LYS 35 -5.276 8.910 -4.301 267 H GLN 36 H GLN 36 1.693 4.597 -5.580 268 HA GLN 36 HA GLN 36 1.324 3.610 -8.193 269 HB2 GLN 36 2HB GLN 36 3.721 4.075 -6.461 270 HB3 GLN 36 3HB GLN 36 3.903 3.209 -7.980 271 HG2 GLN 36 2HG GLN 36 2.763 5.978 -7.666 272 HG3 GLN 36 3HG GLN 36 4.395 5.587 -8.214 273 HE21 GLN 36 1HE2 GLN 36 4.669 4.623 -10.248 274 HE22 GLN 36 2HE2 GLN 36 3.444 4.694 -11.466 275 H GLU 37 H GLU 37 2.367 2.021 -5.193 276 HA GLU 37 HA GLU 37 2.756 -0.510 -6.463 277 HB2 GLU 37 2HB GLU 37 2.411 0.225 -3.558 278 HB3 GLU 37 3HB GLU 37 2.759 -1.403 -4.121 279 HG2 GLU 37 2HG GLU 37 4.794 -0.260 -5.280 280 HG3 GLU 37 3HG GLU 37 4.510 1.006 -4.083 281 H LEU 38 H LEU 38 0.132 0.975 -4.629 282 HA LEU 38 HA LEU 38 -1.557 -1.199 -4.331 283 HB2 LEU 38 2HB LEU 38 -2.154 1.721 -4.743 284 HB3 LEU 38 3HB LEU 38 -3.414 0.546 -4.424 285 HG LEU 38 HG LEU 38 -1.086 0.956 -2.554 286 HD11 LEU 38 1HD1 LEU 38 -2.524 2.388 -1.230 287 HD12 LEU 38 2HD1 LEU 38 -3.797 2.265 -2.443 288 HD13 LEU 38 3HD1 LEU 38 -2.282 3.077 -2.833 289 HD21 LEU 38 3HD2 LEU 38 -3.835 -0.234 -2.165 290 HD22 LEU 38 1HD2 LEU 38 -2.586 -0.079 -0.930 291 HD23 LEU 38 2HD2 LEU 38 -2.330 -1.140 -2.314 292 H LYS 39 H LYS 39 -1.553 1.156 -7.010 293 HA LYS 39 HA LYS 39 -3.621 -0.052 -8.458 294 HB2 LYS 39 2HB LYS 39 -2.847 1.267 -10.370 295 HB3 LYS 39 3HB LYS 39 -2.886 2.235 -8.902 296 HG2 LYS 39 2HG LYS 39 -0.457 1.933 -8.667 297 HG3 LYS 39 3HG LYS 39 -0.442 1.024 -10.179 298 HD2 LYS 39 2HD LYS 39 0.240 3.314 -10.582 299 HD3 LYS 39 3HD LYS 39 -1.316 3.005 -11.352 300 HE2 LYS 39 2HE LYS 39 -2.486 4.175 -9.628 301 HE3 LYS 39 3HE LYS 39 -1.030 4.286 -8.639 302 HZ1 LYS 39 3HZ LYS 39 -1.564 6.374 -9.794 303 HZ2 LYS 39 1HZ LYS 39 -1.378 5.592 -11.291 304 HZ3 LYS 39 2HZ LYS 39 -0.050 5.757 -10.251 305 H LEU 40 H LEU 40 -0.209 -0.779 -8.310 306 HA LEU 40 HA LEU 40 -0.220 -2.437 -10.660 307 HB2 LEU 40 2HB LEU 40 1.808 -2.129 -8.442 308 HB3 LEU 40 3HB LEU 40 2.056 -3.100 -9.879 309 HG LEU 40 HG LEU 40 1.645 -0.106 -9.834 310 HD11 LEU 40 1HD1 LEU 40 3.971 0.032 -10.486 311 HD12 LEU 40 2HD1 LEU 40 4.117 -1.725 -10.430 312 HD13 LEU 40 3HD1 LEU 40 3.821 -0.817 -8.947 313 HD21 LEU 40 3HD2 LEU 40 0.731 -1.080 -11.854 314 HD22 LEU 40 1HD2 LEU 40 2.221 -1.988 -12.117 315 HD23 LEU 40 2HD2 LEU 40 2.232 -0.226 -12.218 316 H ARG 41 H ARG 41 -0.822 -2.873 -7.271 317 HA ARG 41 HA ARG 41 -0.745 -5.791 -7.550 318 HB2 ARG 41 2HB ARG 41 -0.961 -4.020 -5.112 319 HB3 ARG 41 3HB ARG 41 -1.054 -5.775 -5.056 320 HG2 ARG 41 2HG ARG 41 1.201 -5.942 -5.947 321 HG3 ARG 41 3HG ARG 41 1.295 -4.185 -6.066 322 HD2 ARG 41 2HD ARG 41 1.013 -4.029 -3.624 323 HD3 ARG 41 3HD ARG 41 0.982 -5.789 -3.528 324 HE ARG 41 HE ARG 41 3.296 -5.712 -4.447 325 HH11 ARG 41 1HH1 ARG 41 1.985 -3.010 -2.654 326 HH12 ARG 41 2HH1 ARG 41 3.543 -2.319 -2.293 327 HH21 ARG 41 1HH2 ARG 41 5.353 -4.829 -3.941 328 HH22 ARG 41 2HH2 ARG 41 5.445 -3.344 -3.040 329 H SER 42 H SER 42 -2.864 -3.731 -8.471 330 HA SER 42 HA SER 42 -5.082 -3.837 -8.939 331 HB2 SER 42 2HB SER 42 -4.559 -6.273 -9.266 332 HB3 SER 42 3HB SER 42 -5.047 -6.549 -7.595 333 HG SER 42 HG SER 42 -7.117 -5.653 -8.194 334 H LEU 43 H LEU 43 -4.112 -2.697 -6.475 335 HA LEU 43 HA LEU 43 -6.373 -3.155 -4.648 336 HB2 LEU 43 2HB LEU 43 -3.558 -2.197 -4.245 337 HB3 LEU 43 3HB LEU 43 -4.799 -1.865 -3.053 338 HG LEU 43 HG LEU 43 -4.262 -4.680 -3.950 339 HD11 LEU 43 1HD1 LEU 43 -2.733 -4.899 -2.029 340 HD12 LEU 43 2HD1 LEU 43 -2.812 -3.151 -1.791 341 HD13 LEU 43 3HD1 LEU 43 -2.106 -3.810 -3.269 342 HD21 LEU 43 3HD2 LEU 43 -5.346 -3.438 -1.427 343 HD22 LEU 43 1HD2 LEU 43 -5.117 -5.168 -1.697 344 HD23 LEU 43 2HD2 LEU 43 -6.281 -4.269 -2.672 345 HA PRO 44 HA PRO 44 -7.930 0.960 -5.431 346 HB2 PRO 44 2HB PRO 44 -8.596 1.005 -2.547 347 HB3 PRO 44 3HB PRO 44 -9.657 1.190 -3.947 348 HG2 PRO 44 2HG PRO 44 -9.681 -1.048 -2.484 349 HG3 PRO 44 3HG PRO 44 -9.881 -1.098 -4.247 350 HD2 PRO 44 2HD PRO 44 -7.461 -1.710 -2.593 351 HD3 PRO 44 3HD PRO 44 -8.086 -2.546 -4.031 352 H VAL 45 H VAL 45 -7.203 3.029 -5.209 353 HA VAL 45 HA VAL 45 -4.756 3.307 -3.610 354 HB VAL 45 HB VAL 45 -4.131 5.125 -5.132 355 HG11 VAL 45 1HG1 VAL 45 -4.910 2.595 -6.572 356 HG12 VAL 45 2HG1 VAL 45 -3.432 2.848 -5.647 357 HG13 VAL 45 3HG1 VAL 45 -3.717 3.769 -7.121 358 HG21 VAL 45 3HG2 VAL 45 -6.675 4.442 -6.604 359 HG22 VAL 45 1HG2 VAL 45 -5.424 5.546 -7.173 360 HG23 VAL 45 2HG2 VAL 45 -6.351 5.935 -5.724 361 H SER 46 H SER 46 -7.971 4.459 -3.896 362 HA SER 46 HA SER 46 -7.482 7.037 -2.735 363 HB2 SER 46 2HB SER 46 -10.081 5.546 -3.152 364 HB3 SER 46 3HB SER 46 -9.924 7.257 -2.746 365 HG SER 46 HG SER 46 -9.993 6.251 -5.134 366 H GLY 47 H GLY 47 -6.779 7.135 -0.724 367 HA2 GLY 47 2HA GLY 47 -8.436 6.602 1.465 368 HA3 GLY 47 3HA GLY 47 -7.286 5.274 1.327 369 H THR 48 H THR 48 -6.813 6.319 3.554 370 HA THR 48 HA THR 48 -5.053 8.628 3.341 371 HB THR 48 HB THR 48 -4.863 8.437 5.804 372 HG1 THR 48 HG1 THR 48 -6.790 6.808 6.455 373 HG21 THR 48 3HG2 THR 48 -7.699 8.396 4.767 374 HG22 THR 48 1HG2 THR 48 -6.645 9.807 4.853 375 HG23 THR 48 2HG2 THR 48 -7.192 9.022 6.336 376 H LYS 49 H LYS 49 -2.881 8.532 4.279 377 HA LYS 49 HA LYS 49 -1.259 6.685 3.053 378 HB2 LYS 49 2HB LYS 49 -0.496 8.841 3.976 379 HB3 LYS 49 3HB LYS 49 -0.654 8.193 5.601 380 HG2 LYS 49 2HG LYS 49 1.086 6.564 5.148 381 HG3 LYS 49 3HG LYS 49 1.217 7.141 3.487 382 HD2 LYS 49 2HD LYS 49 1.892 9.350 4.321 383 HD3 LYS 49 3HD LYS 49 1.775 8.753 5.977 384 HE2 LYS 49 2HE LYS 49 3.520 7.113 5.515 385 HE3 LYS 49 3HE LYS 49 3.627 7.686 3.849 386 HZ1 LYS 49 3HZ LYS 49 4.331 9.838 4.663 387 HZ2 LYS 49 1HZ LYS 49 5.362 8.634 5.257 388 HZ3 LYS 49 2HZ LYS 49 4.188 9.320 6.268 389 H THR 50 H THR 50 -2.403 6.590 6.423 390 HA THR 50 HA THR 50 -0.994 4.292 7.193 391 HB THR 50 HB THR 50 -3.662 5.236 8.259 392 HG1 THR 50 HG1 THR 50 -2.570 6.833 9.105 393 HG21 THR 50 3HG2 THR 50 -1.504 3.536 9.524 394 HG22 THR 50 1HG2 THR 50 -3.090 2.975 8.999 395 HG23 THR 50 2HG2 THR 50 -2.958 4.115 10.334 396 H GLU 51 H GLU 51 -4.338 4.630 5.981 397 HA GLU 51 HA GLU 51 -5.005 1.913 6.164 398 HB2 GLU 51 2HB GLU 51 -6.082 4.029 4.300 399 HB3 GLU 51 3HB GLU 51 -6.815 2.453 4.562 400 HG2 GLU 51 2HG GLU 51 -6.437 4.590 6.645 401 HG3 GLU 51 3HG GLU 51 -7.947 4.185 5.831 402 H LEU 52 H LEU 52 -3.512 3.779 3.567 403 HA LEU 52 HA LEU 52 -3.636 1.810 1.570 404 HB2 LEU 52 2HB LEU 52 -1.497 3.901 1.968 405 HB3 LEU 52 3HB LEU 52 -1.823 3.031 0.482 406 HG LEU 52 HG LEU 52 -3.598 5.070 1.819 407 HD11 LEU 52 1HD1 LEU 52 -1.739 6.023 0.592 408 HD12 LEU 52 2HD1 LEU 52 -3.256 6.323 -0.254 409 HD13 LEU 52 3HD1 LEU 52 -2.163 5.064 -0.827 410 HD21 LEU 52 3HD2 LEU 52 -5.108 4.764 -0.092 411 HD22 LEU 52 1HD2 LEU 52 -4.997 3.317 0.909 412 HD23 LEU 52 2HD2 LEU 52 -4.133 3.395 -0.625 413 H ILE 53 H ILE 53 -1.111 2.535 3.951 414 HA ILE 53 HA ILE 53 0.685 0.500 3.188 415 HB ILE 53 HB ILE 53 0.295 1.771 5.905 416 HG12 ILE 53 2HG1 ILE 53 2.286 2.426 3.721 417 HG13 ILE 53 3HG1 ILE 53 0.820 3.346 4.039 418 HG21 ILE 53 1HG2 ILE 53 2.622 0.190 4.818 419 HG22 ILE 53 2HG2 ILE 53 1.511 -0.322 6.093 420 HG23 ILE 53 3HG2 ILE 53 2.596 1.045 6.360 421 HD11 ILE 53 3HD1 ILE 53 2.761 4.428 5.003 422 HD12 ILE 53 1HD1 ILE 53 3.126 2.979 5.940 423 HD13 ILE 53 2HD1 ILE 53 1.653 3.893 6.269 424 H GLU 54 H GLU 54 -1.813 0.587 5.708 425 HA GLU 54 HA GLU 54 -1.413 -1.992 6.717 426 HB2 GLU 54 2HB GLU 54 -3.414 0.107 6.940 427 HB3 GLU 54 3HB GLU 54 -4.122 -1.498 7.039 428 HG2 GLU 54 2HG GLU 54 -3.433 -0.416 9.215 429 HG3 GLU 54 3HG GLU 54 -2.867 -2.061 8.932 430 H ARG 55 H ARG 55 -3.452 -0.853 4.064 431 HA ARG 55 HA ARG 55 -4.819 -3.297 3.656 432 HB2 ARG 55 2HB ARG 55 -5.491 -1.006 2.795 433 HB3 ARG 55 3HB ARG 55 -4.275 -1.213 1.541 434 HG2 ARG 55 2HG ARG 55 -5.431 -3.087 0.625 435 HG3 ARG 55 3HG ARG 55 -6.548 -3.132 1.993 436 HD2 ARG 55 2HD ARG 55 -7.327 -0.861 1.344 437 HD3 ARG 55 3HD ARG 55 -6.317 -0.974 -0.097 438 HE ARG 55 HE ARG 55 -7.737 -2.679 -0.926 439 HH11 ARG 55 1HH1 ARG 55 -8.851 -1.339 2.103 440 HH12 ARG 55 2HH1 ARG 55 -10.496 -1.845 1.882 441 HH21 ARG 55 1HH2 ARG 55 -9.918 -3.330 -1.248 442 HH22 ARG 55 2HH2 ARG 55 -11.111 -2.941 -0.046 443 H LEU 56 H LEU 56 -1.820 -1.983 2.352 444 HA LEU 56 HA LEU 56 -1.285 -3.990 0.458 445 HB2 LEU 56 2HB LEU 56 0.545 -2.274 2.125 446 HB3 LEU 56 3HB LEU 56 1.136 -3.371 0.892 447 HG LEU 56 HG LEU 56 -0.778 -1.105 0.337 448 HD11 LEU 56 1HD1 LEU 56 2.218 -1.223 -0.015 449 HD12 LEU 56 2HD1 LEU 56 1.340 -0.205 1.127 450 HD13 LEU 56 3HD1 LEU 56 1.163 0.060 -0.610 451 HD21 LEU 56 3HD2 LEU 56 -0.863 -2.931 -1.275 452 HD22 LEU 56 1HD2 LEU 56 0.889 -2.847 -1.477 453 HD23 LEU 56 2HD2 LEU 56 -0.124 -1.495 -1.986 454 H ARG 57 H ARG 57 -0.546 -3.756 3.896 455 HA ARG 57 HA ARG 57 0.990 -6.126 4.073 456 HB2 ARG 57 2HB ARG 57 -0.592 -4.747 6.254 457 HB3 ARG 57 3HB ARG 57 0.743 -5.871 6.481 458 HG2 ARG 57 2HG ARG 57 2.298 -4.319 5.537 459 HG3 ARG 57 3HG ARG 57 0.996 -3.226 5.068 460 HD2 ARG 57 2HD ARG 57 1.958 -2.320 7.032 461 HD3 ARG 57 3HD ARG 57 0.422 -3.039 7.514 462 HE ARG 57 HE ARG 57 2.428 -4.959 7.881 463 HH11 ARG 57 1HH1 ARG 57 1.373 -1.891 9.198 464 HH12 ARG 57 2HH1 ARG 57 2.147 -2.135 10.734 465 HH21 ARG 57 1HH2 ARG 57 3.399 -5.314 9.904 466 HH22 ARG 57 2HH2 ARG 57 3.278 -4.109 11.150 467 H ALA 58 H ALA 58 -2.436 -5.429 4.632 468 HA ALA 58 HA ALA 58 -3.166 -8.023 5.504 469 HB1 ALA 58 3HB ALA 58 -4.530 -6.020 5.905 470 HB2 ALA 58 1HB ALA 58 -5.456 -7.303 5.126 471 HB3 ALA 58 2HB ALA 58 -4.885 -5.927 4.181 472 H TYR 59 H TYR 59 -2.993 -6.517 2.329 473 HA TYR 59 HA TYR 59 -4.262 -8.527 0.841 474 HB2 TYR 59 2HB TYR 59 -3.792 -6.343 -0.114 475 HB3 TYR 59 3HB TYR 59 -2.061 -6.608 0.048 476 HD1 TYR 59 HD2 TYR 59 -4.948 -8.485 -1.454 477 HD2 TYR 59 HD1 TYR 59 -0.991 -6.985 -1.949 478 HE1 TYR 59 HE2 TYR 59 -4.878 -9.417 -3.729 479 HE2 TYR 59 HE1 TYR 59 -0.920 -7.911 -4.224 480 HH TYR 59 HH TYR 59 -3.748 -9.281 -5.750 481 H GLN 60 H GLN 60 -0.784 -8.018 1.428 482 HA GLN 60 HA GLN 60 0.078 -10.369 0.146 483 HB2 GLN 60 2HB GLN 60 1.278 -8.447 2.086 484 HB3 GLN 60 3HB GLN 60 2.108 -9.968 1.799 485 HG2 GLN 60 2HG GLN 60 1.341 -7.988 -0.328 486 HG3 GLN 60 3HG GLN 60 2.945 -8.152 0.387 487 HE21 GLN 60 1HE2 GLN 60 4.183 -9.986 -0.074 488 HE22 GLN 60 2HE2 GLN 60 3.826 -10.994 -1.432 489 H ASP 61 H ASP 61 -0.956 -9.757 3.432 490 HA ASP 61 HA ASP 61 0.073 -12.073 4.643 491 HB2 ASP 61 2HB ASP 61 -0.705 -10.159 5.948 492 HB3 ASP 61 3HB ASP 61 -2.354 -10.427 5.393 493 H GLN 62 H GLN 62 -3.061 -11.455 3.094 494 HA GLN 62 HA GLN 62 -4.079 -14.049 3.822 495 HB2 GLN 62 2HB GLN 62 -6.074 -13.409 2.594 496 HB3 GLN 62 3HB GLN 62 -5.567 -12.105 3.656 497 HG2 GLN 62 2HG GLN 62 -4.490 -11.017 1.695 498 HG3 GLN 62 3HG GLN 62 -5.201 -12.268 0.676 499 HE21 GLN 62 1HE2 GLN 62 -5.803 -9.472 2.624 500 HE22 GLN 62 2HE2 GLN 62 -7.438 -9.212 2.115 501 H ILE 63 H ILE 63 -2.156 -12.852 1.289 502 HA ILE 63 HA ILE 63 -2.943 -14.741 -0.713 503 HB ILE 63 HB ILE 63 -0.428 -13.090 -0.435 504 HG12 ILE 63 2HG1 ILE 63 -2.853 -12.807 -2.222 505 HG13 ILE 63 3HG1 ILE 63 -2.479 -11.801 -0.828 506 HG21 ILE 63 1HG2 ILE 63 -1.320 -14.776 -2.769 507 HG22 ILE 63 2HG2 ILE 63 0.060 -15.100 -1.721 508 HG23 ILE 63 3HG2 ILE 63 0.060 -13.676 -2.760 509 HD11 ILE 63 3HD1 ILE 63 -0.857 -11.993 -3.356 510 HD12 ILE 63 1HD1 ILE 63 -0.473 -10.989 -1.959 511 HD13 ILE 63 2HD1 ILE 63 -1.931 -10.671 -2.899 512 H SER 64 H SER 64 -0.010 -14.472 1.288 513 HA SER 64 HA SER 64 1.371 -16.011 2.206 514 HB2 SER 64 2HB SER 64 -0.885 -17.975 1.696 515 HB3 SER 64 3HB SER 64 0.491 -18.229 2.771 516 HG SER 64 HG SER 64 -0.879 -15.904 3.267 517 HA PRO 65 HA PRO 65 3.560 -18.032 -1.111 518 HB2 PRO 65 2HB PRO 65 4.232 -20.270 0.691 519 HB3 PRO 65 3HB PRO 65 5.304 -19.133 -0.130 520 HG2 PRO 65 2HG PRO 65 4.903 -19.025 2.520 521 HG3 PRO 65 3HG PRO 65 5.138 -17.559 1.550 522 HD2 PRO 65 2HD PRO 65 2.606 -18.725 2.641 523 HD3 PRO 65 3HD PRO 65 3.115 -17.026 2.539 524 H VAL 66 H VAL 66 2.270 -18.906 -2.652 525 HA VAL 66 HA VAL 66 1.005 -21.483 -2.043 526 HB VAL 66 HB VAL 66 -0.945 -20.790 -3.469 527 HG11 VAL 66 1HG1 VAL 66 -1.106 -20.940 -1.051 528 HG12 VAL 66 2HG1 VAL 66 -2.060 -19.583 -1.648 529 HG13 VAL 66 3HG1 VAL 66 -0.494 -19.294 -0.891 530 HG21 VAL 66 3HG2 VAL 66 0.172 -18.021 -2.997 531 HG22 VAL 66 1HG2 VAL 66 -1.406 -18.391 -3.689 532 HG23 VAL 66 2HG2 VAL 66 0.065 -18.839 -4.556 533 HA PRO 67 HA PRO 67 3.136 -22.378 -5.903 534 HB2 PRO 67 2HB PRO 67 2.850 -25.146 -5.115 535 HB3 PRO 67 3HB PRO 67 4.320 -24.177 -5.208 536 HG2 PRO 67 2HG PRO 67 3.247 -25.080 -2.863 537 HG3 PRO 67 3HG PRO 67 4.243 -23.618 -2.992 538 HD2 PRO 67 2HD PRO 67 1.262 -23.875 -2.838 539 HD3 PRO 67 3HD PRO 67 2.331 -22.695 -2.051 540 H GLY 68 H GLY 68 0.195 -23.795 -4.584 541 HA2 GLY 68 2HA GLY 68 -0.659 -24.485 -7.327 542 HA3 GLY 68 3HA GLY 68 -1.284 -25.237 -5.866 543 H ALA 69 H ALA 69 -1.376 -22.591 -4.524 544 HA ALA 69 HA ALA 69 -2.729 -20.817 -4.163 545 HB1 ALA 69 3HB ALA 69 -2.099 -20.078 -6.403 546 HB2 ALA 69 1HB ALA 69 -3.773 -19.659 -6.034 547 HB3 ALA 69 2HB ALA 69 -3.415 -21.025 -7.090 548 HA PRO 70 HA PRO 70 -6.452 -23.084 -3.213 549 HB2 PRO 70 2HB PRO 70 -7.518 -21.233 -1.542 550 HB3 PRO 70 3HB PRO 70 -6.194 -22.303 -1.062 551 HG2 PRO 70 2HG PRO 70 -6.090 -19.455 -1.977 552 HG3 PRO 70 3HG PRO 70 -5.216 -20.234 -0.645 553 HD2 PRO 70 2HD PRO 70 -4.074 -19.748 -3.053 554 HD3 PRO 70 3HD PRO 70 -3.631 -21.141 -2.046 555 H LYS 71 H LYS 71 -8.719 -22.866 -3.605 556 HA LYS 71 HA LYS 71 -9.345 -21.140 -5.818 557 HB2 LYS 71 2HB LYS 71 -10.877 -23.203 -4.262 558 HB3 LYS 71 3HB LYS 71 -11.698 -22.156 -5.408 559 HG2 LYS 71 2HG LYS 71 -11.201 -24.235 -6.477 560 HG3 LYS 71 3HG LYS 71 -10.175 -22.987 -7.184 561 HD2 LYS 71 2HD LYS 71 -8.292 -23.741 -5.842 562 HD3 LYS 71 3HD LYS 71 -9.315 -24.936 -5.041 563 HE2 LYS 71 2HE LYS 71 -9.686 -26.038 -7.202 564 HE3 LYS 71 3HE LYS 71 -8.628 -24.859 -7.977 565 HZ1 LYS 71 3HZ LYS 71 -7.471 -26.933 -7.486 566 HZ2 LYS 71 1HZ LYS 71 -7.817 -26.756 -5.835 567 HZ3 LYS 71 2HZ LYS 71 -6.800 -25.643 -6.613 568 H ALA 72 H ALA 72 -9.557 -19.051 -5.390 569 HA ALA 72 HA ALA 72 -11.485 -18.199 -3.373 570 HB1 ALA 72 3HB ALA 72 -9.369 -18.227 -2.170 571 HB2 ALA 72 1HB ALA 72 -9.923 -16.570 -2.406 572 HB3 ALA 72 2HB ALA 72 -8.629 -17.221 -3.415 573 HA PRO 73 HA PRO 73 -12.481 -15.377 -6.642 574 HB2 PRO 73 2HB PRO 73 -13.808 -13.714 -4.633 575 HB3 PRO 73 3HB PRO 73 -14.512 -14.635 -5.964 576 HG2 PRO 73 2HG PRO 73 -14.849 -15.357 -3.392 577 HG3 PRO 73 3HG PRO 73 -14.728 -16.550 -4.700 578 HD2 PRO 73 2HD PRO 73 -12.630 -15.659 -2.750 579 HD3 PRO 73 3HD PRO 73 -13.028 -17.301 -3.302 580 H ALA 74 H ALA 74 -12.853 -12.706 -6.545 581 HA ALA 74 HA ALA 74 -10.133 -11.749 -6.271 582 HB1 ALA 74 3HB ALA 74 -11.486 -11.223 -8.265 583 HB2 ALA 74 1HB ALA 74 -10.912 -9.775 -7.439 584 HB3 ALA 74 2HB ALA 74 -12.587 -10.293 -7.251 585 H ALA 75 H ALA 75 -9.920 -9.395 -5.438 586 HA ALA 75 HA ALA 75 -11.261 -9.263 -2.824 587 HB1 ALA 75 3HB ALA 75 -9.304 -8.032 -2.028 588 HB2 ALA 75 1HB ALA 75 -8.569 -8.167 -3.628 589 HB3 ALA 75 2HB ALA 75 -8.853 -9.613 -2.662 Start of MODEL 16 1 H1 MET 1 1H MET 1 5.945 -41.432 -22.405 2 H2 MET 1 2H MET 1 6.372 -39.864 -21.921 3 H3 MET 1 3H MET 1 7.577 -40.961 -22.392 4 HA MET 1 HA MET 1 6.629 -41.022 -24.632 5 HB2 MET 1 2HB MET 1 4.866 -38.877 -23.453 6 HB3 MET 1 3HB MET 1 5.126 -39.040 -25.181 7 HG2 MET 1 2HG MET 1 4.221 -41.337 -25.053 8 HG3 MET 1 3HG MET 1 3.863 -41.058 -23.348 9 HE1 MET 1 3HE MET 1 3.137 -39.947 -27.029 10 HE2 MET 1 1HE MET 1 3.582 -38.418 -26.277 11 HE3 MET 1 2HE MET 1 1.922 -38.689 -26.806 12 H GLY 2 H GLY 2 8.215 -40.224 -25.813 13 HA2 GLY 2 2HA GLY 2 9.393 -38.526 -26.880 14 HA3 GLY 2 3HA GLY 2 8.804 -37.390 -25.679 15 H HIS 3 H HIS 3 11.402 -39.331 -26.697 16 HA HIS 3 HA HIS 3 12.920 -38.945 -24.251 17 HB2 HIS 3 2HB HIS 3 13.613 -40.044 -26.976 18 HB3 HIS 3 3HB HIS 3 14.847 -39.741 -25.760 19 HD1 HIS 3 HD1 HIS 3 15.484 -41.857 -24.702 20 HD2 HIS 3 HD2 HIS 3 11.410 -41.731 -25.526 21 HE1 HIS 3 HE1 HIS 3 14.550 -44.026 -23.832 22 HE2 HIS 3 HE2 HIS 3 12.055 -43.835 -24.160 23 H HIS 4 H HIS 4 12.621 -36.661 -24.117 24 HA HIS 4 HA HIS 4 13.526 -35.027 -26.314 25 HB2 HIS 4 2HB HIS 4 12.766 -33.118 -24.973 26 HB3 HIS 4 3HB HIS 4 11.521 -34.349 -25.108 27 HD1 HIS 4 HD1 HIS 4 10.610 -35.330 -22.964 28 HD2 HIS 4 HD2 HIS 4 13.924 -32.884 -22.367 29 HE1 HIS 4 HE1 HIS 4 10.793 -35.023 -20.475 30 HE2 HIS 4 HE2 HIS 4 12.634 -33.330 -20.169 31 H HIS 5 H HIS 5 15.317 -33.880 -26.489 32 HA HIS 5 HA HIS 5 16.924 -33.218 -24.176 33 HB2 HIS 5 2HB HIS 5 17.821 -35.451 -24.856 34 HB3 HIS 5 3HB HIS 5 18.183 -34.784 -26.444 35 HD1 HIS 5 HD1 HIS 5 19.577 -35.199 -23.098 36 HD2 HIS 5 HD2 HIS 5 20.213 -32.661 -26.333 37 HE1 HIS 5 HE1 HIS 5 21.828 -34.151 -22.708 38 HE2 HIS 5 HE2 HIS 5 22.094 -32.474 -24.565 39 H HIS 6 H HIS 6 17.013 -31.106 -24.476 40 HA HIS 6 HA HIS 6 18.055 -30.131 -27.029 41 HB2 HIS 6 2HB HIS 6 15.541 -29.208 -25.672 42 HB3 HIS 6 3HB HIS 6 16.468 -28.108 -26.687 43 HD1 HIS 6 HD1 HIS 6 13.655 -30.213 -26.943 44 HD2 HIS 6 HD2 HIS 6 16.981 -29.546 -29.359 45 HE1 HIS 6 HE1 HIS 6 13.006 -31.014 -29.235 46 HE2 HIS 6 HE2 HIS 6 15.064 -30.715 -30.654 47 H HIS 7 H HIS 7 19.046 -28.028 -26.879 48 HA HIS 7 HA HIS 7 20.550 -27.798 -24.444 49 HB2 HIS 7 2HB HIS 7 20.556 -26.054 -26.920 50 HB3 HIS 7 3HB HIS 7 21.711 -25.938 -25.598 51 HD1 HIS 7 HD1 HIS 7 23.657 -27.579 -25.593 52 HD2 HIS 7 HD2 HIS 7 20.838 -28.380 -28.544 53 HE1 HIS 7 HE1 HIS 7 24.709 -29.305 -27.087 54 HE2 HIS 7 HE2 HIS 7 22.922 -29.893 -28.767 55 H HIS 8 H HIS 8 18.090 -25.895 -26.120 56 HA HIS 8 HA HIS 8 18.014 -23.953 -23.961 57 HB2 HIS 8 2HB HIS 8 16.803 -24.148 -26.673 58 HB3 HIS 8 3HB HIS 8 15.971 -23.165 -25.474 59 HD1 HIS 8 HD1 HIS 8 17.474 -21.208 -24.385 60 HD2 HIS 8 HD2 HIS 8 18.885 -22.904 -27.909 61 HE1 HIS 8 HE1 HIS 8 19.165 -19.581 -25.287 62 HE2 HIS 8 HE2 HIS 8 20.146 -20.721 -27.313 63 H SER 9 H SER 9 17.389 -26.420 -22.975 64 HA SER 9 HA SER 9 14.538 -26.706 -22.793 65 HB2 SER 9 2HB SER 9 16.715 -27.904 -21.055 66 HB3 SER 9 3HB SER 9 15.019 -28.399 -21.079 67 HG SER 9 HG SER 9 17.039 -28.826 -22.974 68 H HIS 10 H HIS 10 13.996 -24.556 -22.233 69 HA HIS 10 HA HIS 10 14.975 -23.283 -19.887 70 HB2 HIS 10 2HB HIS 10 13.180 -21.628 -20.291 71 HB3 HIS 10 3HB HIS 10 14.132 -21.950 -21.734 72 HD1 HIS 10 HD1 HIS 10 12.863 -22.531 -23.789 73 HD2 HIS 10 HD2 HIS 10 10.573 -22.995 -20.344 74 HE1 HIS 10 HE1 HIS 10 10.539 -23.087 -24.582 75 HE2 HIS 10 HE2 HIS 10 9.138 -23.166 -22.486 76 H MET 11 H MET 11 13.442 -22.472 -18.175 77 HA MET 11 HA MET 11 12.279 -24.812 -16.935 78 HB2 MET 11 2HB MET 11 12.433 -21.976 -15.890 79 HB3 MET 11 3HB MET 11 12.115 -23.427 -14.949 80 HG2 MET 11 2HG MET 11 14.355 -24.218 -15.323 81 HG3 MET 11 3HG MET 11 14.682 -22.876 -16.419 82 HE1 MET 11 3HE MET 11 16.660 -23.543 -14.080 83 HE2 MET 11 1HE MET 11 16.966 -21.931 -13.436 84 HE3 MET 11 2HE MET 11 16.851 -22.177 -15.178 85 H SER 12 H SER 12 10.279 -25.352 -17.579 86 HA SER 12 HA SER 12 8.331 -23.389 -18.331 87 HB2 SER 12 2HB SER 12 8.009 -26.354 -17.807 88 HB3 SER 12 3HB SER 12 6.819 -25.311 -18.586 89 HG SER 12 HG SER 12 8.267 -24.969 -20.278 90 H THR 13 H THR 13 8.003 -22.059 -16.614 91 HA THR 13 HA THR 13 6.530 -23.198 -14.346 92 HB THR 13 HB THR 13 8.680 -21.075 -14.095 93 HG1 THR 13 HG1 THR 13 8.803 -23.810 -14.064 94 HG21 THR 13 3HG2 THR 13 7.109 -22.557 -11.981 95 HG22 THR 13 1HG2 THR 13 6.910 -20.857 -12.418 96 HG23 THR 13 2HG2 THR 13 8.413 -21.409 -11.678 97 HA PRO 14 HA PRO 14 3.492 -20.078 -15.387 98 HB2 PRO 14 2HB PRO 14 3.265 -19.905 -12.411 99 HB3 PRO 14 3HB PRO 14 1.992 -20.073 -13.626 100 HG2 PRO 14 2HG PRO 14 2.745 -22.166 -12.178 101 HG3 PRO 14 3HG PRO 14 2.377 -22.348 -13.904 102 HD2 PRO 14 2HD PRO 14 5.020 -22.300 -12.523 103 HD3 PRO 14 3HD PRO 14 4.509 -23.222 -13.950 104 H LEU 15 H LEU 15 3.685 -17.949 -15.758 105 HA LEU 15 HA LEU 15 5.699 -16.474 -14.194 106 HB2 LEU 15 2HB LEU 15 6.316 -16.843 -16.543 107 HB3 LEU 15 3HB LEU 15 4.825 -16.079 -17.059 108 HG LEU 15 HG LEU 15 5.588 -13.950 -16.075 109 HD11 LEU 15 1HD1 LEU 15 7.034 -14.836 -14.328 110 HD12 LEU 15 2HD1 LEU 15 7.910 -13.708 -15.363 111 HD13 LEU 15 3HD1 LEU 15 8.149 -15.446 -15.548 112 HD21 LEU 15 3HD2 LEU 15 7.350 -13.500 -17.727 113 HD22 LEU 15 1HD2 LEU 15 5.985 -14.382 -18.414 114 HD23 LEU 15 2HD2 LEU 15 7.483 -15.233 -18.031 115 H THR 16 H THR 16 4.972 -14.882 -12.981 116 HA THR 16 HA THR 16 2.375 -13.669 -13.670 117 HB THR 16 HB THR 16 2.253 -14.896 -11.556 118 HG1 THR 16 HG1 THR 16 1.559 -13.111 -10.239 119 HG21 THR 16 3HG2 THR 16 4.454 -13.057 -10.604 120 HG22 THR 16 1HG2 THR 16 4.613 -14.787 -10.909 121 HG23 THR 16 2HG2 THR 16 3.568 -14.215 -9.609 122 H GLY 17 H GLY 17 2.143 -11.429 -13.464 123 HA2 GLY 17 2HA GLY 17 4.690 -9.944 -13.369 124 HA3 GLY 17 3HA GLY 17 3.233 -9.397 -14.188 125 H LYS 18 H LYS 18 2.501 -10.856 -11.282 126 HA LYS 18 HA LYS 18 2.087 -8.238 -10.015 127 HB2 LYS 18 2HB LYS 18 0.870 -10.871 -9.176 128 HB3 LYS 18 3HB LYS 18 0.350 -9.254 -8.723 129 HG2 LYS 18 2HG LYS 18 0.207 -10.386 -11.506 130 HG3 LYS 18 3HG LYS 18 -1.132 -10.342 -10.360 131 HD2 LYS 18 2HD LYS 18 -1.140 -7.947 -10.364 132 HD3 LYS 18 3HD LYS 18 0.348 -7.894 -11.312 133 HE2 LYS 18 2HE LYS 18 -1.645 -7.450 -12.682 134 HE3 LYS 18 3HE LYS 18 -0.778 -8.894 -13.203 135 HZ1 LYS 18 3HZ LYS 18 -3.314 -8.775 -11.658 136 HZ2 LYS 18 1HZ LYS 18 -2.421 -10.204 -11.881 137 HZ3 LYS 18 2HZ LYS 18 -3.073 -9.394 -13.218 138 HA PRO 19 HA PRO 19 5.555 -9.392 -7.352 139 HB2 PRO 19 2HB PRO 19 5.251 -7.170 -5.737 140 HB3 PRO 19 3HB PRO 19 6.206 -7.211 -7.221 141 HG2 PRO 19 2HG PRO 19 3.435 -6.200 -6.777 142 HG3 PRO 19 3HG PRO 19 4.727 -5.529 -7.790 143 HD2 PRO 19 2HD PRO 19 2.677 -6.912 -8.840 144 HD3 PRO 19 3HD PRO 19 4.316 -7.012 -9.516 145 H GLY 20 H GLY 20 5.622 -10.449 -5.429 146 HA2 GLY 20 2HA GLY 20 3.025 -10.923 -4.172 147 HA3 GLY 20 3HA GLY 20 4.470 -11.907 -3.979 148 H ALA 21 H ALA 21 6.349 -10.137 -3.170 149 HA ALA 21 HA ALA 21 5.458 -9.743 -0.440 150 HB1 ALA 21 3HB ALA 21 8.211 -9.429 -1.626 151 HB2 ALA 21 1HB ALA 21 7.569 -10.899 -0.900 152 HB3 ALA 21 2HB ALA 21 7.809 -9.459 0.091 153 H LEU 22 H LEU 22 6.264 -7.806 0.765 154 HA LEU 22 HA LEU 22 5.897 -5.349 -0.833 155 HB2 LEU 22 2HB LEU 22 5.309 -5.905 2.076 156 HB3 LEU 22 3HB LEU 22 5.209 -4.320 1.340 157 HG LEU 22 HG LEU 22 3.515 -6.685 0.541 158 HD11 LEU 22 1HD1 LEU 22 2.870 -4.293 2.255 159 HD12 LEU 22 2HD1 LEU 22 3.031 -5.956 2.814 160 HD13 LEU 22 3HD1 LEU 22 1.721 -5.517 1.718 161 HD21 LEU 22 3HD2 LEU 22 2.195 -5.016 -0.649 162 HD22 LEU 22 1HD2 LEU 22 3.851 -5.056 -1.249 163 HD23 LEU 22 2HD2 LEU 22 3.335 -3.758 -0.172 164 HA PRO 23 HA PRO 23 9.901 -3.902 0.653 165 HB2 PRO 23 2HB PRO 23 9.229 -1.245 1.024 166 HB3 PRO 23 3HB PRO 23 9.761 -1.941 -0.509 167 HG2 PRO 23 2HG PRO 23 7.009 -1.306 0.433 168 HG3 PRO 23 3HG PRO 23 7.700 -1.172 -1.193 169 HD2 PRO 23 2HD PRO 23 6.046 -3.194 -0.473 170 HD3 PRO 23 3HD PRO 23 7.351 -3.405 -1.658 171 H ALA 24 H ALA 24 10.795 -3.655 2.645 172 HA ALA 24 HA ALA 24 9.223 -4.250 4.900 173 HB1 ALA 24 3HB ALA 24 11.253 -3.989 6.192 174 HB2 ALA 24 1HB ALA 24 12.024 -3.141 4.852 175 HB3 ALA 24 2HB ALA 24 11.595 -4.845 4.689 176 H ASN 25 H ASN 25 10.469 -1.210 3.668 177 HA ASN 25 HA ASN 25 9.226 0.211 5.913 178 HB2 ASN 25 2HB ASN 25 11.197 1.143 3.814 179 HB3 ASN 25 3HB ASN 25 10.453 2.208 5.005 180 HD21 ASN 25 1HD2 ASN 25 11.043 2.041 7.160 181 HD22 ASN 25 2HD2 ASN 25 12.478 1.203 7.656 182 H LEU 26 H LEU 26 7.096 0.260 5.410 183 HA LEU 26 HA LEU 26 6.300 1.363 2.818 184 HB2 LEU 26 2HB LEU 26 4.737 0.094 5.060 185 HB3 LEU 26 3HB LEU 26 3.977 0.849 3.671 186 HG LEU 26 HG LEU 26 5.869 -1.502 3.526 187 HD11 LEU 26 1HD1 LEU 26 3.798 -2.158 4.591 188 HD12 LEU 26 2HD1 LEU 26 3.849 -2.788 2.944 189 HD13 LEU 26 3HD1 LEU 26 2.865 -1.373 3.317 190 HD21 LEU 26 3HD2 LEU 26 4.136 -0.203 1.429 191 HD22 LEU 26 1HD2 LEU 26 5.124 -1.648 1.210 192 HD23 LEU 26 2HD2 LEU 26 5.894 -0.092 1.531 193 H ASP 27 H ASP 27 6.482 2.105 6.204 194 HA ASP 27 HA ASP 27 4.810 4.412 6.158 195 HB2 ASP 27 2HB ASP 27 6.977 3.538 8.077 196 HB3 ASP 27 3HB ASP 27 5.995 4.978 8.316 197 H ASP 28 H ASP 28 8.011 3.778 5.139 198 HA ASP 28 HA ASP 28 8.834 6.557 5.217 199 HB2 ASP 28 2HB ASP 28 10.452 4.683 5.604 200 HB3 ASP 28 3HB ASP 28 10.236 4.209 3.921 201 H MET 29 H MET 29 7.196 4.450 3.109 202 HA MET 29 HA MET 29 7.875 5.713 0.631 203 HB2 MET 29 2HB MET 29 5.465 4.015 1.327 204 HB3 MET 29 3HB MET 29 5.980 4.449 -0.296 205 HG2 MET 29 2HG MET 29 7.599 2.809 1.636 206 HG3 MET 29 3HG MET 29 6.574 2.149 0.364 207 HE1 MET 29 3HE MET 29 7.139 2.146 -2.157 208 HE2 MET 29 1HE MET 29 8.389 3.152 -2.891 209 HE3 MET 29 2HE MET 29 6.992 3.903 -2.124 210 H LYS 30 H LYS 30 6.480 7.073 -0.615 211 HA LYS 30 HA LYS 30 5.034 8.971 1.026 212 HB2 LYS 30 2HB LYS 30 5.508 8.952 -1.957 213 HB3 LYS 30 3HB LYS 30 4.884 10.296 -1.018 214 HG2 LYS 30 2HG LYS 30 7.003 10.440 0.182 215 HG3 LYS 30 3HG LYS 30 7.624 9.085 -0.764 216 HD2 LYS 30 2HD LYS 30 7.402 10.364 -2.804 217 HD3 LYS 30 3HD LYS 30 6.672 11.702 -1.912 218 HE2 LYS 30 2HE LYS 30 8.983 12.199 -2.346 219 HE3 LYS 30 3HE LYS 30 8.757 11.938 -0.620 220 HZ1 LYS 30 3HZ LYS 30 10.757 10.860 -1.466 221 HZ2 LYS 30 1HZ LYS 30 9.825 9.921 -2.527 222 HZ3 LYS 30 2HZ LYS 30 9.661 9.720 -0.851 223 H VAL 31 H VAL 31 2.912 9.816 0.095 224 HA VAL 31 HA VAL 31 1.008 7.729 0.111 225 HB VAL 31 HB VAL 31 0.636 10.568 -0.866 226 HG11 VAL 31 1HG1 VAL 31 -1.175 9.088 -1.563 227 HG12 VAL 31 2HG1 VAL 31 -1.726 10.220 -0.329 228 HG13 VAL 31 3HG1 VAL 31 -1.383 8.546 0.103 229 HG21 VAL 31 3HG2 VAL 31 1.513 10.522 1.400 230 HG22 VAL 31 1HG2 VAL 31 0.255 9.385 1.881 231 HG23 VAL 31 2HG2 VAL 31 -0.177 11.028 1.408 232 H ALA 32 H ALA 32 2.385 9.684 -2.488 233 HA ALA 32 HA ALA 32 0.920 8.548 -4.618 234 HB1 ALA 32 3HB ALA 32 2.151 10.652 -4.823 235 HB2 ALA 32 1HB ALA 32 2.652 9.498 -6.060 236 HB3 ALA 32 2HB ALA 32 3.675 9.780 -4.650 237 H GLU 33 H GLU 33 3.921 7.635 -3.031 238 HA GLU 33 HA GLU 33 4.704 5.651 -4.891 239 HB2 GLU 33 2HB GLU 33 5.382 5.943 -1.961 240 HB3 GLU 33 3HB GLU 33 6.181 4.839 -3.073 241 HG2 GLU 33 2HG GLU 33 6.185 7.840 -3.195 242 HG3 GLU 33 3HG GLU 33 7.534 6.794 -2.765 243 H LEU 34 H LEU 34 2.777 5.576 -1.947 244 HA LEU 34 HA LEU 34 2.399 2.786 -1.813 245 HB2 LEU 34 2HB LEU 34 0.550 5.006 -0.930 246 HB3 LEU 34 3HB LEU 34 0.417 3.326 -0.448 247 HG LEU 34 HG LEU 34 2.785 5.086 0.192 248 HD11 LEU 34 1HD1 LEU 34 0.795 5.925 1.298 249 HD12 LEU 34 2HD1 LEU 34 1.867 5.149 2.466 250 HD13 LEU 34 3HD1 LEU 34 0.424 4.308 1.896 251 HD21 LEU 34 3HD2 LEU 34 1.959 2.370 1.219 252 HD22 LEU 34 1HD2 LEU 34 3.352 3.304 1.765 253 HD23 LEU 34 2HD2 LEU 34 3.292 2.695 0.113 254 H LYS 35 H LYS 35 0.598 5.365 -3.420 255 HA LYS 35 HA LYS 35 -1.458 3.710 -4.434 256 HB2 LYS 35 2HB LYS 35 -0.448 6.411 -5.319 257 HB3 LYS 35 3HB LYS 35 -1.863 5.630 -6.012 258 HG2 LYS 35 2HG LYS 35 -2.910 5.597 -3.791 259 HG3 LYS 35 3HG LYS 35 -1.504 6.435 -3.134 260 HD2 LYS 35 2HD LYS 35 -1.944 8.358 -4.506 261 HD3 LYS 35 3HD LYS 35 -3.242 7.511 -5.350 262 HE2 LYS 35 2HE LYS 35 -4.487 7.358 -3.233 263 HE3 LYS 35 3HE LYS 35 -3.203 8.258 -2.427 264 HZ1 LYS 35 3HZ LYS 35 -3.704 10.182 -3.636 265 HZ2 LYS 35 1HZ LYS 35 -5.210 9.562 -3.174 266 HZ3 LYS 35 2HZ LYS 35 -4.657 9.352 -4.764 267 H GLN 36 H GLN 36 1.765 4.444 -5.553 268 HA GLN 36 HA GLN 36 1.554 3.501 -8.185 269 HB2 GLN 36 2HB GLN 36 3.858 3.494 -6.237 270 HB3 GLN 36 3HB GLN 36 4.019 2.901 -7.882 271 HG2 GLN 36 2HG GLN 36 3.195 5.692 -7.115 272 HG3 GLN 36 3HG GLN 36 4.809 5.206 -7.630 273 HE21 GLN 36 1HE2 GLN 36 5.142 4.604 -9.778 274 HE22 GLN 36 2HE2 GLN 36 4.035 5.042 -11.032 275 H GLU 37 H GLU 37 2.449 1.768 -5.209 276 HA GLU 37 HA GLU 37 2.561 -0.796 -6.337 277 HB2 GLU 37 2HB GLU 37 1.921 0.127 -3.533 278 HB3 GLU 37 3HB GLU 37 2.066 -1.570 -3.967 279 HG2 GLU 37 2HG GLU 37 4.245 0.478 -4.306 280 HG3 GLU 37 3HG GLU 37 4.101 -0.631 -2.943 281 H LEU 38 H LEU 38 -0.117 0.999 -4.893 282 HA LEU 38 HA LEU 38 -2.020 -1.045 -4.888 283 HB2 LEU 38 2HB LEU 38 -2.409 1.932 -5.199 284 HB3 LEU 38 3HB LEU 38 -3.691 0.792 -4.835 285 HG LEU 38 HG LEU 38 -1.295 1.276 -3.059 286 HD11 LEU 38 1HD1 LEU 38 -4.116 2.288 -2.784 287 HD12 LEU 38 2HD1 LEU 38 -2.710 3.263 -3.206 288 HD13 LEU 38 3HD1 LEU 38 -2.812 2.505 -1.619 289 HD21 LEU 38 3HD2 LEU 38 -2.640 0.075 -1.382 290 HD22 LEU 38 1HD2 LEU 38 -2.250 -0.938 -2.775 291 HD23 LEU 38 2HD2 LEU 38 -3.865 -0.246 -2.612 292 H LYS 39 H LYS 39 -1.374 1.413 -7.403 293 HA LYS 39 HA LYS 39 -3.486 0.505 -9.085 294 HB2 LYS 39 2HB LYS 39 -2.552 1.976 -10.781 295 HB3 LYS 39 3HB LYS 39 -2.589 2.791 -9.222 296 HG2 LYS 39 2HG LYS 39 -0.196 2.318 -8.935 297 HG3 LYS 39 3HG LYS 39 -0.175 1.538 -10.516 298 HD2 LYS 39 2HD LYS 39 0.670 3.791 -10.714 299 HD3 LYS 39 3HD LYS 39 -0.883 3.671 -11.543 300 HE2 LYS 39 2HE LYS 39 -2.001 4.711 -9.661 301 HE3 LYS 39 3HE LYS 39 -0.491 4.748 -8.750 302 HZ1 LYS 39 3HZ LYS 39 -1.086 6.891 -9.814 303 HZ2 LYS 39 1HZ LYS 39 -0.907 6.156 -11.329 304 HZ3 LYS 39 2HZ LYS 39 0.426 6.294 -10.296 305 H LEU 40 H LEU 40 -0.204 -0.509 -8.652 306 HA LEU 40 HA LEU 40 -0.091 -1.890 -11.198 307 HB2 LEU 40 2HB LEU 40 1.835 -1.780 -8.883 308 HB3 LEU 40 3HB LEU 40 2.139 -2.655 -10.374 309 HG LEU 40 HG LEU 40 1.775 0.332 -10.110 310 HD11 LEU 40 1HD1 LEU 40 4.204 -1.343 -10.724 311 HD12 LEU 40 2HD1 LEU 40 3.908 -0.434 -9.243 312 HD13 LEU 40 3HD1 LEU 40 4.133 0.418 -10.771 313 HD21 LEU 40 3HD2 LEU 40 2.336 -1.381 -12.527 314 HD22 LEU 40 1HD2 LEU 40 2.411 0.381 -12.491 315 HD23 LEU 40 2HD2 LEU 40 0.877 -0.442 -12.214 316 H ARG 41 H ARG 41 -0.595 -2.670 -7.817 317 HA ARG 41 HA ARG 41 -0.484 -5.538 -8.414 318 HB2 ARG 41 2HB ARG 41 -0.688 -4.168 -5.724 319 HB3 ARG 41 3HB ARG 41 -0.320 -5.864 -6.021 320 HG2 ARG 41 2HG ARG 41 1.783 -5.306 -7.010 321 HG3 ARG 41 3HG ARG 41 1.405 -3.585 -6.969 322 HD2 ARG 41 2HD ARG 41 2.874 -3.982 -5.171 323 HD3 ARG 41 3HD ARG 41 1.270 -3.806 -4.459 324 HE ARG 41 HE ARG 41 1.307 -6.380 -4.574 325 HH11 ARG 41 1HH1 ARG 41 4.088 -4.321 -3.973 326 HH12 ARG 41 2HH1 ARG 41 4.907 -5.522 -3.014 327 HH21 ARG 41 1HH2 ARG 41 2.402 -7.945 -3.314 328 HH22 ARG 41 2HH2 ARG 41 3.954 -7.565 -2.640 329 H SER 42 H SER 42 -2.728 -3.398 -8.807 330 HA SER 42 HA SER 42 -4.978 -3.426 -8.979 331 HB2 SER 42 2HB SER 42 -4.723 -6.353 -8.258 332 HB3 SER 42 3HB SER 42 -6.130 -5.583 -8.993 333 HG SER 42 HG SER 42 -4.542 -6.693 -10.430 334 H LEU 43 H LEU 43 -4.766 -2.051 -7.080 335 HA LEU 43 HA LEU 43 -6.430 -3.054 -4.902 336 HB2 LEU 43 2HB LEU 43 -3.630 -2.023 -4.650 337 HB3 LEU 43 3HB LEU 43 -4.779 -1.722 -3.362 338 HG LEU 43 HG LEU 43 -4.246 -4.507 -4.361 339 HD11 LEU 43 1HD1 LEU 43 -2.639 -4.752 -2.544 340 HD12 LEU 43 2HD1 LEU 43 -2.801 -3.040 -2.154 341 HD13 LEU 43 3HD1 LEU 43 -2.101 -3.531 -3.697 342 HD21 LEU 43 3HD2 LEU 43 -5.036 -5.076 -2.100 343 HD22 LEU 43 1HD2 LEU 43 -6.242 -4.175 -3.021 344 HD23 LEU 43 2HD2 LEU 43 -5.295 -3.359 -1.778 345 HA PRO 44 HA PRO 44 -8.285 0.966 -5.411 346 HB2 PRO 44 2HB PRO 44 -8.975 0.774 -2.542 347 HB3 PRO 44 3HB PRO 44 -10.036 0.944 -3.946 348 HG2 PRO 44 2HG PRO 44 -9.869 -1.367 -2.608 349 HG3 PRO 44 3HG PRO 44 -10.057 -1.333 -4.371 350 HD2 PRO 44 2HD PRO 44 -7.593 -1.820 -2.736 351 HD3 PRO 44 3HD PRO 44 -8.140 -2.634 -4.217 352 H VAL 45 H VAL 45 -7.588 3.016 -5.196 353 HA VAL 45 HA VAL 45 -5.286 3.466 -3.449 354 HB VAL 45 HB VAL 45 -4.880 5.495 -4.749 355 HG11 VAL 45 1HG1 VAL 45 -3.939 3.392 -5.537 356 HG12 VAL 45 2HG1 VAL 45 -4.337 4.456 -6.887 357 HG13 VAL 45 3HG1 VAL 45 -5.388 3.093 -6.499 358 HG21 VAL 45 3HG2 VAL 45 -7.177 6.132 -5.238 359 HG22 VAL 45 1HG2 VAL 45 -7.361 4.728 -6.291 360 HG23 VAL 45 2HG2 VAL 45 -6.238 6.017 -6.727 361 H SER 46 H SER 46 -8.441 3.674 -3.023 362 HA SER 46 HA SER 46 -8.644 6.333 -1.929 363 HB2 SER 46 2HB SER 46 -10.586 5.136 -2.974 364 HB3 SER 46 3HB SER 46 -10.571 4.019 -1.611 365 HG SER 46 HG SER 46 -11.841 5.447 -0.730 366 H GLY 47 H GLY 47 -8.348 6.927 0.131 367 HA2 GLY 47 2HA GLY 47 -8.600 6.082 2.519 368 HA3 GLY 47 3HA GLY 47 -7.484 4.824 2.006 369 H THR 48 H THR 48 -6.977 6.576 4.143 370 HA THR 48 HA THR 48 -5.186 8.640 3.239 371 HB THR 48 HB THR 48 -4.567 8.793 5.677 372 HG1 THR 48 HG1 THR 48 -6.700 6.911 5.992 373 HG21 THR 48 3HG2 THR 48 -6.718 9.741 6.364 374 HG22 THR 48 1HG2 THR 48 -7.514 8.920 5.022 375 HG23 THR 48 2HG2 THR 48 -6.329 10.186 4.702 376 H LYS 49 H LYS 49 -2.889 8.650 4.225 377 HA LYS 49 HA LYS 49 -1.334 6.836 2.886 378 HB2 LYS 49 2HB LYS 49 -0.474 8.936 3.820 379 HB3 LYS 49 3HB LYS 49 -0.589 8.266 5.441 380 HG2 LYS 49 2HG LYS 49 1.054 6.545 4.831 381 HG3 LYS 49 3HG LYS 49 1.182 7.255 3.223 382 HD2 LYS 49 2HD LYS 49 1.947 9.366 4.259 383 HD3 LYS 49 3HD LYS 49 1.895 8.580 5.839 384 HE2 LYS 49 2HE LYS 49 3.542 6.944 5.089 385 HE3 LYS 49 3HE LYS 49 3.580 7.696 3.495 386 HZ1 LYS 49 3HZ LYS 49 4.520 8.845 6.061 387 HZ2 LYS 49 1HZ LYS 49 4.315 9.775 4.658 388 HZ3 LYS 49 2HZ LYS 49 5.436 8.505 4.678 389 H THR 50 H THR 50 -2.001 6.704 6.400 390 HA THR 50 HA THR 50 -0.608 4.287 6.793 391 HB THR 50 HB THR 50 -2.865 5.423 8.458 392 HG1 THR 50 HG1 THR 50 -0.036 5.849 8.481 393 HG21 THR 50 3HG2 THR 50 -0.655 3.487 9.179 394 HG22 THR 50 1HG2 THR 50 -2.364 3.089 9.019 395 HG23 THR 50 2HG2 THR 50 -1.827 4.173 10.304 396 H GLU 51 H GLU 51 -3.944 4.939 5.862 397 HA GLU 51 HA GLU 51 -4.892 2.281 6.267 398 HB2 GLU 51 2HB GLU 51 -5.940 4.493 4.498 399 HB3 GLU 51 3HB GLU 51 -6.783 2.982 4.812 400 HG2 GLU 51 2HG GLU 51 -6.818 3.543 7.210 401 HG3 GLU 51 3HG GLU 51 -6.068 5.093 6.831 402 H LEU 52 H LEU 52 -3.549 4.025 3.503 403 HA LEU 52 HA LEU 52 -3.850 1.962 1.606 404 HB2 LEU 52 2HB LEU 52 -1.701 4.080 1.741 405 HB3 LEU 52 3HB LEU 52 -2.098 3.116 0.333 406 HG LEU 52 HG LEU 52 -3.888 5.152 1.652 407 HD11 LEU 52 1HD1 LEU 52 -2.032 6.140 0.420 408 HD12 LEU 52 2HD1 LEU 52 -3.568 6.429 -0.393 409 HD13 LEU 52 3HD1 LEU 52 -2.466 5.194 -1.004 410 HD21 LEU 52 3HD2 LEU 52 -5.186 3.312 0.732 411 HD22 LEU 52 1HD2 LEU 52 -4.342 3.469 -0.807 412 HD23 LEU 52 2HD2 LEU 52 -5.391 4.768 -0.240 413 H ILE 53 H ILE 53 -1.219 2.789 3.825 414 HA ILE 53 HA ILE 53 0.561 0.745 3.151 415 HB ILE 53 HB ILE 53 0.068 1.970 5.875 416 HG12 ILE 53 2HG1 ILE 53 2.121 2.650 3.753 417 HG13 ILE 53 3HG1 ILE 53 0.674 3.597 4.097 418 HG21 ILE 53 1HG2 ILE 53 1.266 -0.134 6.075 419 HG22 ILE 53 2HG2 ILE 53 2.345 1.220 6.410 420 HG23 ILE 53 3HG2 ILE 53 2.428 0.390 4.857 421 HD11 ILE 53 3HD1 ILE 53 2.946 3.091 6.008 422 HD12 ILE 53 1HD1 ILE 53 1.509 4.058 6.338 423 HD13 ILE 53 2HD1 ILE 53 2.659 4.580 5.106 424 H GLU 54 H GLU 54 -2.038 0.775 5.591 425 HA GLU 54 HA GLU 54 -1.674 -1.878 6.452 426 HB2 GLU 54 2HB GLU 54 -4.046 -0.029 6.552 427 HB3 GLU 54 3HB GLU 54 -4.097 -1.656 7.216 428 HG2 GLU 54 2HG GLU 54 -2.222 0.543 8.053 429 HG3 GLU 54 3HG GLU 54 -3.634 -0.027 8.944 430 H ARG 55 H ARG 55 -3.631 -0.515 3.845 431 HA ARG 55 HA ARG 55 -5.040 -2.861 3.201 432 HB2 ARG 55 2HB ARG 55 -5.562 -0.566 2.319 433 HB3 ARG 55 3HB ARG 55 -4.171 -0.714 1.252 434 HG2 ARG 55 2HG ARG 55 -5.218 -2.735 0.262 435 HG3 ARG 55 3HG ARG 55 -6.645 -2.426 1.251 436 HD2 ARG 55 2HD ARG 55 -5.492 -0.549 -0.811 437 HD3 ARG 55 3HD ARG 55 -6.899 -1.580 -1.042 438 HE ARG 55 HE ARG 55 -6.748 0.827 0.618 439 HH11 ARG 55 1HH1 ARG 55 -8.645 -1.882 -0.535 440 HH12 ARG 55 2HH1 ARG 55 -10.172 -1.084 -0.281 441 HH21 ARG 55 1HH2 ARG 55 -8.762 1.883 0.948 442 HH22 ARG 55 2HH2 ARG 55 -10.236 1.047 0.547 443 H LEU 56 H LEU 56 -1.920 -1.605 2.116 444 HA LEU 56 HA LEU 56 -1.280 -3.703 0.342 445 HB2 LEU 56 2HB LEU 56 0.452 -1.837 1.961 446 HB3 LEU 56 3HB LEU 56 1.107 -2.989 0.814 447 HG LEU 56 HG LEU 56 -0.841 -0.808 0.071 448 HD11 LEU 56 1HD1 LEU 56 1.273 0.134 0.889 449 HD12 LEU 56 2HD1 LEU 56 1.083 0.368 -0.850 450 HD13 LEU 56 3HD1 LEU 56 2.159 -0.890 -0.243 451 HD21 LEU 56 3HD2 LEU 56 -0.143 -1.335 -2.208 452 HD22 LEU 56 1HD2 LEU 56 -0.830 -2.756 -1.420 453 HD23 LEU 56 2HD2 LEU 56 0.919 -2.605 -1.599 454 H ARG 57 H ARG 57 -0.558 -3.203 3.777 455 HA ARG 57 HA ARG 57 0.985 -5.509 4.167 456 HB2 ARG 57 2HB ARG 57 -0.744 -4.023 6.155 457 HB3 ARG 57 3HB ARG 57 0.474 -5.218 6.576 458 HG2 ARG 57 2HG ARG 57 2.213 -3.811 5.641 459 HG3 ARG 57 3HG ARG 57 1.006 -2.626 5.142 460 HD2 ARG 57 2HD ARG 57 1.952 -1.808 7.146 461 HD3 ARG 57 3HD ARG 57 0.361 -2.436 7.570 462 HE ARG 57 HE ARG 57 1.897 -4.547 8.117 463 HH11 ARG 57 1HH1 ARG 57 2.254 -1.154 8.902 464 HH12 ARG 57 2HH1 ARG 57 3.177 -1.447 10.345 465 HH21 ARG 57 1HH2 ARG 57 3.120 -4.941 10.022 466 HH22 ARG 57 2HH2 ARG 57 3.659 -3.594 10.985 467 H ALA 58 H ALA 58 -2.505 -4.985 4.543 468 HA ALA 58 HA ALA 58 -3.124 -7.606 5.406 469 HB1 ALA 58 3HB ALA 58 -4.862 -5.627 3.932 470 HB2 ALA 58 1HB ALA 58 -4.663 -5.726 5.681 471 HB3 ALA 58 2HB ALA 58 -5.427 -7.053 4.802 472 H TYR 59 H TYR 59 -2.801 -6.128 2.238 473 HA TYR 59 HA TYR 59 -3.857 -8.213 0.682 474 HB2 TYR 59 2HB TYR 59 -3.380 -5.907 -0.135 475 HB3 TYR 59 3HB TYR 59 -1.660 -6.269 -0.068 476 HD1 TYR 59 HD2 TYR 59 -4.824 -7.038 -1.790 477 HD2 TYR 59 HD1 TYR 59 -0.601 -7.543 -1.793 478 HE1 TYR 59 HE2 TYR 59 -4.936 -7.890 -4.092 479 HE2 TYR 59 HE1 TYR 59 -0.699 -8.392 -4.098 480 HH TYR 59 HH TYR 59 -3.313 -7.999 -6.085 481 H GLN 60 H GLN 60 -0.604 -7.619 1.930 482 HA GLN 60 HA GLN 60 0.501 -9.932 0.601 483 HB2 GLN 60 2HB GLN 60 1.586 -7.616 1.538 484 HB3 GLN 60 3HB GLN 60 2.001 -8.721 2.842 485 HG2 GLN 60 2HG GLN 60 2.601 -9.298 -0.043 486 HG3 GLN 60 3HG GLN 60 3.710 -8.426 1.008 487 HE21 GLN 60 1HE2 GLN 60 3.152 -9.988 3.362 488 HE22 GLN 60 2HE2 GLN 60 3.847 -11.552 3.102 489 H ASP 61 H ASP 61 -0.921 -9.161 3.668 490 HA ASP 61 HA ASP 61 0.038 -11.283 5.225 491 HB2 ASP 61 2HB ASP 61 -1.219 -9.406 6.182 492 HB3 ASP 61 3HB ASP 61 -2.675 -9.943 5.348 493 H GLN 62 H GLN 62 -2.824 -11.087 3.134 494 HA GLN 62 HA GLN 62 -3.638 -13.772 3.652 495 HB2 GLN 62 2HB GLN 62 -5.136 -13.409 1.649 496 HB3 GLN 62 3HB GLN 62 -5.341 -12.268 2.969 497 HG2 GLN 62 2HG GLN 62 -4.047 -10.607 1.765 498 HG3 GLN 62 3HG GLN 62 -3.768 -11.755 0.455 499 HE21 GLN 62 1HE2 GLN 62 -6.152 -9.781 2.084 500 HE22 GLN 62 2HE2 GLN 62 -7.320 -9.799 0.797 501 H ILE 63 H ILE 63 -1.118 -12.519 1.841 502 HA ILE 63 HA ILE 63 -1.045 -14.632 -0.144 503 HB ILE 63 HB ILE 63 1.024 -12.543 0.578 504 HG12 ILE 63 2HG1 ILE 63 -1.021 -11.570 -0.360 505 HG13 ILE 63 3HG1 ILE 63 0.323 -11.417 -1.485 506 HG21 ILE 63 1HG2 ILE 63 2.098 -13.132 -1.547 507 HG22 ILE 63 2HG2 ILE 63 0.932 -14.439 -1.762 508 HG23 ILE 63 3HG2 ILE 63 2.073 -14.488 -0.418 509 HD11 ILE 63 3HD1 ILE 63 -1.874 -13.466 -1.629 510 HD12 ILE 63 1HD1 ILE 63 -0.526 -13.315 -2.757 511 HD13 ILE 63 2HD1 ILE 63 -1.723 -12.023 -2.631 512 H SER 64 H SER 64 0.442 -13.808 2.924 513 HA SER 64 HA SER 64 2.268 -16.091 2.683 514 HB2 SER 64 2HB SER 64 2.413 -13.787 4.629 515 HB3 SER 64 3HB SER 64 3.670 -14.973 4.282 516 HG SER 64 HG SER 64 2.609 -13.075 2.447 517 HA PRO 65 HA PRO 65 -0.020 -18.215 5.877 518 HB2 PRO 65 2HB PRO 65 2.395 -19.857 6.167 519 HB3 PRO 65 3HB PRO 65 0.775 -20.333 5.648 520 HG2 PRO 65 2HG PRO 65 2.859 -20.243 3.940 521 HG3 PRO 65 3HG PRO 65 1.202 -19.869 3.433 522 HD2 PRO 65 2HD PRO 65 3.455 -18.003 4.083 523 HD3 PRO 65 3HD PRO 65 2.256 -17.910 2.775 524 H VAL 66 H VAL 66 -0.071 -18.146 8.077 525 HA VAL 66 HA VAL 66 1.648 -16.337 9.417 526 HB VAL 66 HB VAL 66 0.478 -17.028 11.476 527 HG11 VAL 66 1HG1 VAL 66 -0.533 -15.349 10.036 528 HG12 VAL 66 2HG1 VAL 66 -1.773 -16.340 10.803 529 HG13 VAL 66 3HG1 VAL 66 -1.348 -16.613 9.112 530 HG21 VAL 66 3HG2 VAL 66 0.251 -19.409 11.018 531 HG22 VAL 66 1HG2 VAL 66 -0.874 -19.062 9.703 532 HG23 VAL 66 2HG2 VAL 66 -1.322 -18.691 11.369 533 HA PRO 67 HA PRO 67 5.082 -18.677 10.840 534 HB2 PRO 67 2HB PRO 67 5.046 -18.183 13.571 535 HB3 PRO 67 3HB PRO 67 5.759 -17.125 12.350 536 HG2 PRO 67 2HG PRO 67 3.084 -16.962 13.672 537 HG3 PRO 67 3HG PRO 67 4.206 -15.657 13.242 538 HD2 PRO 67 2HD PRO 67 2.032 -16.157 11.767 539 HD3 PRO 67 3HD PRO 67 3.564 -15.677 11.008 540 H GLY 68 H GLY 68 2.019 -19.209 12.446 541 HA2 GLY 68 2HA GLY 68 2.892 -21.700 13.651 542 HA3 GLY 68 3HA GLY 68 1.277 -21.010 13.729 543 H ALA 69 H ALA 69 2.162 -20.884 10.573 544 HA ALA 69 HA ALA 69 0.891 -23.480 9.987 545 HB1 ALA 69 3HB ALA 69 0.033 -22.459 7.939 546 HB2 ALA 69 1HB ALA 69 0.825 -20.938 8.356 547 HB3 ALA 69 2HB ALA 69 -0.491 -21.550 9.359 548 HA PRO 70 HA PRO 70 4.424 -24.856 7.661 549 HB2 PRO 70 2HB PRO 70 2.559 -25.221 5.368 550 HB3 PRO 70 3HB PRO 70 3.696 -26.368 6.084 551 HG2 PRO 70 2HG PRO 70 1.083 -26.575 6.548 552 HG3 PRO 70 3HG PRO 70 2.263 -26.893 7.835 553 HD2 PRO 70 2HD PRO 70 0.516 -24.512 7.405 554 HD3 PRO 70 3HD PRO 70 1.031 -25.276 8.922 555 H LYS 71 H LYS 71 5.858 -23.414 6.990 556 HA LYS 71 HA LYS 71 5.100 -21.042 5.567 557 HB2 LYS 71 2HB LYS 71 6.861 -20.977 7.249 558 HB3 LYS 71 3HB LYS 71 7.813 -22.133 6.330 559 HG2 LYS 71 2HG LYS 71 7.993 -20.498 4.506 560 HG3 LYS 71 3HG LYS 71 7.098 -19.336 5.487 561 HD2 LYS 71 2HD LYS 71 8.856 -19.465 7.203 562 HD3 LYS 71 3HD LYS 71 9.759 -20.583 6.178 563 HE2 LYS 71 2HE LYS 71 10.579 -18.260 6.008 564 HE3 LYS 71 3HE LYS 71 9.991 -18.892 4.470 565 HZ1 LYS 71 3HZ LYS 71 8.369 -17.187 6.287 566 HZ2 LYS 71 1HZ LYS 71 7.972 -17.675 4.712 567 HZ3 LYS 71 2HZ LYS 71 9.250 -16.594 4.962 568 H ALA 72 H ALA 72 7.690 -23.342 4.792 569 HA ALA 72 HA ALA 72 6.640 -23.601 2.077 570 HB1 ALA 72 3HB ALA 72 9.458 -22.699 2.667 571 HB2 ALA 72 1HB ALA 72 8.187 -21.722 1.936 572 HB3 ALA 72 2HB ALA 72 8.829 -23.123 1.076 573 HA PRO 73 HA PRO 73 8.320 -27.549 3.670 574 HB2 PRO 73 2HB PRO 73 5.859 -28.862 3.221 575 HB3 PRO 73 3HB PRO 73 6.494 -28.305 4.771 576 HG2 PRO 73 2HG PRO 73 4.233 -27.302 3.449 577 HG3 PRO 73 3HG PRO 73 5.066 -26.548 4.817 578 HD2 PRO 73 2HD PRO 73 5.257 -25.937 1.906 579 HD3 PRO 73 3HD PRO 73 5.388 -24.847 3.305 580 H ALA 74 H ALA 74 7.733 -26.312 0.810 581 HA ALA 74 HA ALA 74 7.405 -28.725 -0.754 582 HB1 ALA 74 3HB ALA 74 6.356 -26.595 -1.451 583 HB2 ALA 74 1HB ALA 74 7.428 -27.269 -2.680 584 HB3 ALA 74 2HB ALA 74 7.965 -25.914 -1.690 585 H ALA 75 H ALA 75 9.108 -30.025 -0.825 586 HA ALA 75 HA ALA 75 11.610 -28.966 -1.872 587 HB1 ALA 75 3HB ALA 75 11.500 -30.647 0.638 588 HB2 ALA 75 1HB ALA 75 11.957 -28.947 0.550 589 HB3 ALA 75 2HB ALA 75 12.965 -30.173 -0.222 Start of MODEL 17 1 H1 MET 1 1H MET 1 45.198 -13.528 -22.127 2 H2 MET 1 2H MET 1 45.162 -14.604 -20.817 3 H3 MET 1 3H MET 1 44.481 -15.057 -22.301 4 HA MET 1 HA MET 1 46.615 -16.121 -21.931 5 HB2 MET 1 2HB MET 1 47.586 -15.622 -24.077 6 HB3 MET 1 3HB MET 1 45.837 -15.552 -24.233 7 HG2 MET 1 2HG MET 1 45.908 -13.127 -24.159 8 HG3 MET 1 3HG MET 1 47.657 -13.171 -23.939 9 HE1 MET 1 3HE MET 1 46.343 -11.409 -26.198 10 HE2 MET 1 1HE MET 1 47.378 -11.791 -27.577 11 HE3 MET 1 2HE MET 1 48.085 -11.565 -25.979 12 H GLY 2 H GLY 2 48.986 -15.800 -22.058 13 HA2 GLY 2 2HA GLY 2 50.932 -14.487 -21.787 14 HA3 GLY 2 3HA GLY 2 49.931 -13.145 -21.257 15 H HIS 3 H HIS 3 49.021 -16.040 -19.808 16 HA HIS 3 HA HIS 3 49.232 -16.934 -17.737 17 HB2 HIS 3 2HB HIS 3 51.956 -15.662 -17.954 18 HB3 HIS 3 3HB HIS 3 51.447 -16.525 -16.507 19 HD1 HIS 3 HD1 HIS 3 52.469 -17.055 -20.064 20 HD2 HIS 3 HD2 HIS 3 51.265 -19.303 -16.773 21 HE1 HIS 3 HE1 HIS 3 52.981 -19.447 -20.647 22 HE2 HIS 3 HE2 HIS 3 52.265 -20.791 -18.637 23 H HIS 4 H HIS 4 48.198 -14.208 -18.259 24 HA HIS 4 HA HIS 4 48.713 -12.683 -15.868 25 HB2 HIS 4 2HB HIS 4 48.065 -11.753 -18.176 26 HB3 HIS 4 3HB HIS 4 46.430 -12.278 -17.803 27 HD1 HIS 4 HD1 HIS 4 48.839 -9.572 -17.228 28 HD2 HIS 4 HD2 HIS 4 45.233 -10.849 -15.588 29 HE1 HIS 4 HE1 HIS 4 47.969 -7.618 -15.895 30 HE2 HIS 4 HE2 HIS 4 45.707 -8.359 -15.052 31 H HIS 5 H HIS 5 47.667 -12.861 -13.983 32 HA HIS 5 HA HIS 5 45.569 -14.889 -13.818 33 HB2 HIS 5 2HB HIS 5 47.109 -13.508 -11.609 34 HB3 HIS 5 3HB HIS 5 45.979 -14.841 -11.398 35 HD1 HIS 5 HD1 HIS 5 46.740 -17.127 -12.734 36 HD2 HIS 5 HD2 HIS 5 49.687 -14.298 -11.952 37 HE1 HIS 5 HE1 HIS 5 48.923 -18.350 -12.942 38 HE2 HIS 5 HE2 HIS 5 50.689 -16.584 -12.648 39 H HIS 6 H HIS 6 43.587 -14.543 -12.908 40 HA HIS 6 HA HIS 6 42.549 -11.868 -13.204 41 HB2 HIS 6 2HB HIS 6 40.389 -12.840 -12.993 42 HB3 HIS 6 3HB HIS 6 41.344 -13.989 -13.922 43 HD1 HIS 6 HD1 HIS 6 38.922 -13.999 -11.400 44 HD2 HIS 6 HD2 HIS 6 42.550 -15.981 -11.872 45 HE1 HIS 6 HE1 HIS 6 38.824 -15.980 -9.854 46 HE2 HIS 6 HE2 HIS 6 40.962 -17.248 -10.277 47 H HIS 7 H HIS 7 40.738 -11.340 -11.438 48 HA HIS 7 HA HIS 7 41.995 -11.599 -8.773 49 HB2 HIS 7 2HB HIS 7 40.105 -9.443 -9.766 50 HB3 HIS 7 3HB HIS 7 40.781 -9.544 -8.146 51 HD1 HIS 7 HD1 HIS 7 42.977 -8.400 -7.768 52 HD2 HIS 7 HD2 HIS 7 42.081 -8.852 -11.803 53 HE1 HIS 7 HE1 HIS 7 44.737 -7.100 -9.001 54 HE2 HIS 7 HE2 HIS 7 44.054 -7.218 -11.421 55 H HIS 8 H HIS 8 40.770 -12.584 -7.185 56 HA HIS 8 HA HIS 8 38.196 -13.619 -7.985 57 HB2 HIS 8 2HB HIS 8 38.126 -14.763 -5.816 58 HB3 HIS 8 3HB HIS 8 39.626 -15.082 -6.666 59 HD1 HIS 8 HD1 HIS 8 38.266 -13.848 -3.503 60 HD2 HIS 8 HD2 HIS 8 41.919 -13.755 -5.487 61 HE1 HIS 8 HE1 HIS 8 39.974 -13.262 -1.749 62 HE2 HIS 8 HE2 HIS 8 42.197 -13.405 -2.937 63 H SER 9 H SER 9 37.250 -11.588 -8.360 64 HA SER 9 HA SER 9 36.904 -9.740 -6.185 65 HB2 SER 9 2HB SER 9 35.692 -9.682 -8.956 66 HB3 SER 9 3HB SER 9 35.820 -8.329 -7.831 67 HG SER 9 HG SER 9 37.528 -8.907 -9.664 68 H HIS 10 H HIS 10 34.599 -11.507 -8.284 69 HA HIS 10 HA HIS 10 32.644 -11.219 -6.111 70 HB2 HIS 10 2HB HIS 10 30.877 -10.775 -7.713 71 HB3 HIS 10 3HB HIS 10 32.170 -9.603 -7.920 72 HD1 HIS 10 HD1 HIS 10 29.981 -11.646 -9.825 73 HD2 HIS 10 HD2 HIS 10 33.973 -10.527 -10.191 74 HE1 HIS 10 HE1 HIS 10 30.571 -11.999 -12.248 75 HE2 HIS 10 HE2 HIS 10 32.960 -11.209 -12.466 76 H MET 11 H MET 11 31.086 -12.809 -5.896 77 HA MET 11 HA MET 11 31.476 -15.261 -7.477 78 HB2 MET 11 2HB MET 11 32.597 -15.514 -5.284 79 HB3 MET 11 3HB MET 11 31.080 -15.143 -4.477 80 HG2 MET 11 2HG MET 11 30.074 -17.144 -5.463 81 HG3 MET 11 3HG MET 11 31.607 -17.517 -6.251 82 HE1 MET 11 3HE MET 11 30.992 -16.031 -2.679 83 HE2 MET 11 1HE MET 11 31.022 -17.476 -1.671 84 HE3 MET 11 2HE MET 11 29.701 -17.222 -2.811 85 H SER 12 H SER 12 29.627 -16.100 -8.227 86 HA SER 12 HA SER 12 27.221 -14.574 -7.786 87 HB2 SER 12 2HB SER 12 27.926 -15.386 -10.044 88 HB3 SER 12 3HB SER 12 27.617 -17.036 -9.504 89 HG SER 12 HG SER 12 25.873 -15.121 -10.351 90 H THR 13 H THR 13 25.583 -15.080 -6.508 91 HA THR 13 HA THR 13 25.417 -17.820 -5.447 92 HB THR 13 HB THR 13 24.146 -16.668 -3.518 93 HG1 THR 13 HG1 THR 13 25.630 -14.413 -3.672 94 HG21 THR 13 3HG2 THR 13 27.122 -16.248 -3.848 95 HG22 THR 13 1HG2 THR 13 26.333 -17.699 -3.232 96 HG23 THR 13 2HG2 THR 13 26.243 -16.194 -2.319 97 HA PRO 14 HA PRO 14 21.452 -18.144 -7.379 98 HB2 PRO 14 2HB PRO 14 20.182 -19.715 -5.498 99 HB3 PRO 14 3HB PRO 14 21.263 -20.327 -6.752 100 HG2 PRO 14 2HG PRO 14 21.831 -19.739 -3.879 101 HG3 PRO 14 3HG PRO 14 22.389 -21.096 -4.877 102 HD2 PRO 14 2HD PRO 14 23.991 -19.018 -4.308 103 HD3 PRO 14 3HD PRO 14 24.051 -19.830 -5.888 104 H LEU 15 H LEU 15 20.097 -16.487 -7.425 105 HA LEU 15 HA LEU 15 19.270 -15.165 -4.974 106 HB2 LEU 15 2HB LEU 15 19.993 -13.919 -7.053 107 HB3 LEU 15 3HB LEU 15 18.529 -14.487 -7.827 108 HG LEU 15 HG LEU 15 18.390 -12.889 -5.287 109 HD11 LEU 15 1HD1 LEU 15 18.542 -11.799 -8.095 110 HD12 LEU 15 2HD1 LEU 15 19.774 -11.613 -6.844 111 HD13 LEU 15 3HD1 LEU 15 18.187 -10.867 -6.639 112 HD21 LEU 15 3HD2 LEU 15 16.209 -12.248 -6.167 113 HD22 LEU 15 1HD2 LEU 15 16.347 -14.004 -6.070 114 HD23 LEU 15 2HD2 LEU 15 16.507 -13.190 -7.629 115 H THR 16 H THR 16 17.412 -15.596 -3.973 116 HA THR 16 HA THR 16 15.261 -16.870 -5.525 117 HB THR 16 HB THR 16 14.672 -18.099 -3.363 118 HG1 THR 16 HG1 THR 16 17.358 -18.024 -2.628 119 HG21 THR 16 3HG2 THR 16 17.239 -18.821 -4.777 120 HG22 THR 16 1HG2 THR 16 15.611 -19.246 -5.304 121 HG23 THR 16 2HG2 THR 16 16.257 -19.919 -3.808 122 H GLY 17 H GLY 17 13.593 -15.529 -5.604 123 HA2 GLY 17 2HA GLY 17 12.014 -14.683 -3.573 124 HA3 GLY 17 3HA GLY 17 13.261 -13.444 -3.625 125 H LYS 18 H LYS 18 10.352 -13.356 -4.232 126 HA LYS 18 HA LYS 18 10.610 -11.910 -6.738 127 HB2 LYS 18 2HB LYS 18 8.751 -12.956 -7.822 128 HB3 LYS 18 3HB LYS 18 9.837 -14.239 -7.321 129 HG2 LYS 18 2HG LYS 18 7.401 -13.442 -5.745 130 HG3 LYS 18 3HG LYS 18 7.382 -14.675 -7.005 131 HD2 LYS 18 2HD LYS 18 9.079 -14.728 -4.506 132 HD3 LYS 18 3HD LYS 18 7.598 -15.654 -4.766 133 HE2 LYS 18 2HE LYS 18 8.661 -16.810 -6.651 134 HE3 LYS 18 3HE LYS 18 10.139 -15.885 -6.379 135 HZ1 LYS 18 3HZ LYS 18 10.182 -16.868 -4.105 136 HZ2 LYS 18 1HZ LYS 18 10.405 -17.991 -5.356 137 HZ3 LYS 18 2HZ LYS 18 8.909 -17.885 -4.564 138 HA PRO 19 HA PRO 19 7.958 -8.990 -4.768 139 HB2 PRO 19 2HB PRO 19 6.212 -8.862 -7.143 140 HB3 PRO 19 3HB PRO 19 7.179 -7.594 -6.384 141 HG2 PRO 19 2HG PRO 19 7.904 -8.663 -8.719 142 HG3 PRO 19 3HG PRO 19 9.108 -8.208 -7.498 143 HD2 PRO 19 2HD PRO 19 8.027 -10.922 -8.174 144 HD3 PRO 19 3HD PRO 19 9.698 -10.432 -7.816 145 H GLY 20 H GLY 20 7.172 -10.823 -3.410 146 HA2 GLY 20 2HA GLY 20 4.227 -10.911 -3.651 147 HA3 GLY 20 3HA GLY 20 5.145 -12.337 -3.179 148 H ALA 21 H ALA 21 6.618 -9.579 -2.046 149 HA ALA 21 HA ALA 21 5.291 -9.807 0.572 150 HB1 ALA 21 3HB ALA 21 8.242 -9.424 0.061 151 HB2 ALA 21 1HB ALA 21 7.478 -10.919 0.597 152 HB3 ALA 21 2HB ALA 21 7.462 -9.499 1.640 153 H LEU 22 H LEU 22 6.578 -7.796 1.898 154 HA LEU 22 HA LEU 22 6.103 -5.417 0.226 155 HB2 LEU 22 2HB LEU 22 5.357 -5.830 3.121 156 HB3 LEU 22 3HB LEU 22 5.309 -4.281 2.305 157 HG LEU 22 HG LEU 22 3.648 -6.689 1.565 158 HD11 LEU 22 1HD1 LEU 22 2.916 -4.130 2.980 159 HD12 LEU 22 2HD1 LEU 22 2.992 -5.739 3.702 160 HD13 LEU 22 3HD1 LEU 22 1.787 -5.381 2.464 161 HD21 LEU 22 3HD2 LEU 22 4.159 -5.265 -0.357 162 HD22 LEU 22 1HD2 LEU 22 3.580 -3.855 0.532 163 HD23 LEU 22 2HD2 LEU 22 2.460 -5.143 0.096 164 HA PRO 23 HA PRO 23 10.180 -4.190 1.563 165 HB2 PRO 23 2HB PRO 23 9.878 -1.500 1.136 166 HB3 PRO 23 3HB PRO 23 10.237 -2.659 -0.147 167 HG2 PRO 23 2HG PRO 23 7.616 -1.454 0.642 168 HG3 PRO 23 3HG PRO 23 8.273 -1.744 -0.981 169 HD2 PRO 23 2HD PRO 23 6.436 -3.374 0.123 170 HD3 PRO 23 3HD PRO 23 7.714 -3.989 -0.942 171 H ALA 24 H ALA 24 11.087 -3.275 3.415 172 HA ALA 24 HA ALA 24 9.390 -3.092 5.661 173 HB1 ALA 24 3HB ALA 24 12.262 -2.225 5.384 174 HB2 ALA 24 1HB ALA 24 11.701 -3.836 5.834 175 HB3 ALA 24 2HB ALA 24 11.398 -2.464 6.902 176 H ASN 25 H ASN 25 10.813 -0.686 3.546 177 HA ASN 25 HA ASN 25 9.944 1.507 5.237 178 HB2 ASN 25 2HB ASN 25 11.228 1.511 2.494 179 HB3 ASN 25 3HB ASN 25 10.865 2.953 3.432 180 HD21 ASN 25 1HD2 ASN 25 13.072 3.512 3.387 181 HD22 ASN 25 2HD2 ASN 25 14.222 2.714 4.410 182 H LEU 26 H LEU 26 7.688 0.890 5.179 183 HA LEU 26 HA LEU 26 6.296 1.459 2.672 184 HB2 LEU 26 2HB LEU 26 5.320 0.436 5.336 185 HB3 LEU 26 3HB LEU 26 4.253 0.819 4.001 186 HG LEU 26 HG LEU 26 6.404 -1.300 3.961 187 HD11 LEU 26 1HD1 LEU 26 3.399 -1.510 4.120 188 HD12 LEU 26 2HD1 LEU 26 4.547 -1.915 5.397 189 HD13 LEU 26 3HD1 LEU 26 4.513 -2.862 3.910 190 HD21 LEU 26 3HD2 LEU 26 4.295 -0.594 1.925 191 HD22 LEU 26 1HD2 LEU 26 5.432 -1.937 1.821 192 HD23 LEU 26 2HD2 LEU 26 6.021 -0.276 1.770 193 H ASP 27 H ASP 27 6.450 2.588 6.021 194 HA ASP 27 HA ASP 27 4.647 4.773 5.622 195 HB2 ASP 27 2HB ASP 27 5.292 5.454 7.871 196 HB3 ASP 27 3HB ASP 27 5.047 3.710 7.843 197 H ASP 28 H ASP 28 8.008 4.223 5.175 198 HA ASP 28 HA ASP 28 8.848 6.948 5.199 199 HB2 ASP 28 2HB ASP 28 10.431 5.143 5.641 200 HB3 ASP 28 3HB ASP 28 10.162 4.486 4.031 201 H MET 29 H MET 29 7.345 4.905 2.854 202 HA MET 29 HA MET 29 8.176 6.533 0.607 203 HB2 MET 29 2HB MET 29 6.164 4.281 0.764 204 HB3 MET 29 3HB MET 29 6.642 5.099 -0.715 205 HG2 MET 29 2HG MET 29 8.995 4.365 -0.239 206 HG3 MET 29 3HG MET 29 8.333 3.370 1.058 207 HE1 MET 29 3HE MET 29 5.468 2.702 -0.473 208 HE2 MET 29 1HE MET 29 6.332 1.555 0.554 209 HE3 MET 29 2HE MET 29 5.856 1.091 -1.082 210 H LYS 30 H LYS 30 6.890 7.917 -0.548 211 HA LYS 30 HA LYS 30 4.950 9.391 0.867 212 HB2 LYS 30 2HB LYS 30 5.650 9.301 -2.067 213 HB3 LYS 30 3HB LYS 30 4.510 10.447 -1.377 214 HG2 LYS 30 2HG LYS 30 6.228 11.444 -0.044 215 HG3 LYS 30 3HG LYS 30 7.382 10.199 -0.528 216 HD2 LYS 30 2HD LYS 30 7.397 10.968 -2.774 217 HD3 LYS 30 3HD LYS 30 6.030 12.044 -2.480 218 HE2 LYS 30 2HE LYS 30 8.122 13.276 -2.566 219 HE3 LYS 30 3HE LYS 30 7.382 13.372 -0.971 220 HZ1 LYS 30 3HZ LYS 30 8.918 11.691 -0.183 221 HZ2 LYS 30 1HZ LYS 30 9.769 13.006 -0.833 222 HZ3 LYS 30 2HZ LYS 30 9.622 11.568 -1.721 223 H VAL 31 H VAL 31 2.741 9.800 0.152 224 HA VAL 31 HA VAL 31 1.105 7.545 0.014 225 HB VAL 31 HB VAL 31 0.454 10.325 -0.989 226 HG11 VAL 31 1HG1 VAL 31 -1.362 8.121 -0.024 227 HG12 VAL 31 2HG1 VAL 31 -1.173 8.656 -1.696 228 HG13 VAL 31 3HG1 VAL 31 -1.865 9.747 -0.493 229 HG21 VAL 31 3HG2 VAL 31 0.190 9.152 1.776 230 HG22 VAL 31 1HG2 VAL 31 -0.466 10.707 1.267 231 HG23 VAL 31 2HG2 VAL 31 1.277 10.447 1.278 232 H ALA 32 H ALA 32 2.437 9.594 -2.502 233 HA ALA 32 HA ALA 32 1.119 8.521 -4.723 234 HB1 ALA 32 3HB ALA 32 2.919 9.505 -6.035 235 HB2 ALA 32 1HB ALA 32 3.891 9.705 -4.574 236 HB3 ALA 32 2HB ALA 32 2.389 10.611 -4.768 237 H GLU 33 H GLU 33 4.169 7.598 -3.163 238 HA GLU 33 HA GLU 33 4.860 5.587 -5.026 239 HB2 GLU 33 2HB GLU 33 5.645 5.711 -2.111 240 HB3 GLU 33 3HB GLU 33 6.483 4.852 -3.396 241 HG2 GLU 33 2HG GLU 33 6.230 7.827 -3.062 242 HG3 GLU 33 3HG GLU 33 7.686 6.849 -2.891 243 H LEU 34 H LEU 34 3.012 5.544 -2.026 244 HA LEU 34 HA LEU 34 2.630 2.775 -1.814 245 HB2 LEU 34 2HB LEU 34 0.761 5.017 -1.033 246 HB3 LEU 34 3HB LEU 34 0.606 3.352 -0.511 247 HG LEU 34 HG LEU 34 2.915 5.177 0.162 248 HD11 LEU 34 1HD1 LEU 34 0.851 5.852 1.268 249 HD12 LEU 34 2HD1 LEU 34 1.982 5.142 2.424 250 HD13 LEU 34 3HD1 LEU 34 0.609 4.203 1.841 251 HD21 LEU 34 3HD2 LEU 34 3.542 3.388 1.724 252 HD22 LEU 34 1HD2 LEU 34 3.594 2.846 0.048 253 HD23 LEU 34 2HD2 LEU 34 2.244 2.384 1.083 254 H LYS 35 H LYS 35 0.819 5.256 -3.564 255 HA LYS 35 HA LYS 35 -1.263 3.563 -4.435 256 HB2 LYS 35 2HB LYS 35 -0.244 6.199 -5.483 257 HB3 LYS 35 3HB LYS 35 -1.654 5.384 -6.150 258 HG2 LYS 35 2HG LYS 35 -2.722 5.464 -3.937 259 HG3 LYS 35 3HG LYS 35 -1.320 6.334 -3.312 260 HD2 LYS 35 2HD LYS 35 -1.741 8.182 -4.807 261 HD3 LYS 35 3HD LYS 35 -3.068 7.300 -5.572 262 HE2 LYS 35 2HE LYS 35 -4.276 7.289 -3.431 263 HE3 LYS 35 3HE LYS 35 -2.957 8.195 -2.690 264 HZ1 LYS 35 3HZ LYS 35 -4.543 9.182 -4.998 265 HZ2 LYS 35 1HZ LYS 35 -3.419 10.058 -4.076 266 HZ3 LYS 35 2HZ LYS 35 -4.889 9.567 -3.386 267 H GLN 36 H GLN 36 1.948 4.151 -5.657 268 HA GLN 36 HA GLN 36 1.678 3.099 -8.241 269 HB2 GLN 36 2HB GLN 36 4.011 3.010 -6.323 270 HB3 GLN 36 3HB GLN 36 4.110 2.462 -7.989 271 HG2 GLN 36 2HG GLN 36 3.356 5.249 -7.157 272 HG3 GLN 36 3HG GLN 36 4.982 4.744 -7.611 273 HE21 GLN 36 1HE2 GLN 36 4.072 2.942 -9.713 274 HE22 GLN 36 2HE2 GLN 36 3.541 3.959 -11.015 275 H GLU 37 H GLU 37 2.471 1.485 -5.177 276 HA GLU 37 HA GLU 37 2.521 -1.133 -6.260 277 HB2 GLU 37 2HB GLU 37 2.260 -0.059 -3.465 278 HB3 GLU 37 3HB GLU 37 2.161 -1.782 -3.795 279 HG2 GLU 37 2HG GLU 37 4.485 -0.024 -4.533 280 HG3 GLU 37 3HG GLU 37 4.403 -1.041 -3.094 281 H LEU 38 H LEU 38 0.024 0.740 -4.592 282 HA LEU 38 HA LEU 38 -1.915 -1.221 -4.306 283 HB2 LEU 38 2HB LEU 38 -2.264 1.728 -4.844 284 HB3 LEU 38 3HB LEU 38 -3.553 0.658 -4.328 285 HG LEU 38 HG LEU 38 -1.055 1.144 -2.710 286 HD11 LEU 38 1HD1 LEU 38 -3.767 2.426 -2.446 287 HD12 LEU 38 2HD1 LEU 38 -2.298 3.224 -3.003 288 HD13 LEU 38 3HD1 LEU 38 -2.406 2.633 -1.345 289 HD21 LEU 38 3HD2 LEU 38 -2.215 -0.947 -2.200 290 HD22 LEU 38 1HD2 LEU 38 -3.731 -0.066 -1.991 291 HD23 LEU 38 2HD2 LEU 38 -2.387 0.211 -0.881 292 H LYS 39 H LYS 39 -1.515 1.060 -7.028 293 HA LYS 39 HA LYS 39 -3.773 0.108 -8.437 294 HB2 LYS 39 2HB LYS 39 -3.015 1.480 -10.272 295 HB3 LYS 39 3HB LYS 39 -2.773 2.351 -8.766 296 HG2 LYS 39 2HG LYS 39 -0.384 1.623 -8.824 297 HG3 LYS 39 3HG LYS 39 -0.686 0.978 -10.440 298 HD2 LYS 39 2HD LYS 39 -0.958 3.851 -9.556 299 HD3 LYS 39 3HD LYS 39 0.284 3.182 -10.619 300 HE2 LYS 39 2HE LYS 39 -1.483 2.577 -12.239 301 HE3 LYS 39 3HE LYS 39 -2.677 3.345 -11.187 302 HZ1 LYS 39 3HZ LYS 39 -1.450 5.438 -11.440 303 HZ2 LYS 39 1HZ LYS 39 -2.023 4.849 -12.925 304 HZ3 LYS 39 2HZ LYS 39 -0.384 4.681 -12.525 305 H LEU 40 H LEU 40 -0.465 -0.964 -8.327 306 HA LEU 40 HA LEU 40 -0.691 -2.563 -10.732 307 HB2 LEU 40 2HB LEU 40 1.456 -2.259 -8.642 308 HB3 LEU 40 3HB LEU 40 1.566 -3.436 -9.936 309 HG LEU 40 HG LEU 40 1.359 -0.450 -10.332 310 HD11 LEU 40 1HD1 LEU 40 3.729 -2.297 -10.593 311 HD12 LEU 40 2HD1 LEU 40 3.484 -1.102 -9.319 312 HD13 LEU 40 3HD1 LEU 40 3.703 -0.577 -10.989 313 HD21 LEU 40 3HD2 LEU 40 1.899 -0.956 -12.657 314 HD22 LEU 40 1HD2 LEU 40 0.399 -1.744 -12.170 315 HD23 LEU 40 2HD2 LEU 40 1.886 -2.682 -12.293 316 H ARG 41 H ARG 41 -1.026 -2.992 -7.290 317 HA ARG 41 HA ARG 41 -1.036 -5.906 -7.645 318 HB2 ARG 41 2HB ARG 41 -0.696 -4.301 -5.102 319 HB3 ARG 41 3HB ARG 41 -0.538 -6.048 -5.262 320 HG2 ARG 41 2HG ARG 41 1.383 -5.776 -6.715 321 HG3 ARG 41 3HG ARG 41 1.204 -4.025 -6.657 322 HD2 ARG 41 2HD ARG 41 2.914 -4.488 -5.138 323 HD3 ARG 41 3HD ARG 41 1.486 -4.250 -4.138 324 HE ARG 41 HE ARG 41 1.523 -6.926 -4.515 325 HH11 ARG 41 1HH1 ARG 41 3.989 -4.635 -3.494 326 HH12 ARG 41 2HH1 ARG 41 4.774 -5.782 -2.441 327 HH21 ARG 41 1HH2 ARG 41 2.588 -8.426 -3.173 328 HH22 ARG 41 2HH2 ARG 41 3.979 -7.925 -2.253 329 H SER 42 H SER 42 -3.296 -4.212 -8.316 330 HA SER 42 HA SER 42 -5.555 -4.510 -8.332 331 HB2 SER 42 2HB SER 42 -5.027 -6.869 -6.518 332 HB3 SER 42 3HB SER 42 -6.447 -6.606 -7.531 333 HG SER 42 HG SER 42 -4.082 -7.717 -8.170 334 H LEU 43 H LEU 43 -4.319 -2.859 -6.231 335 HA LEU 43 HA LEU 43 -6.286 -3.195 -4.071 336 HB2 LEU 43 2HB LEU 43 -3.498 -2.093 -4.110 337 HB3 LEU 43 3HB LEU 43 -4.606 -1.720 -2.804 338 HG LEU 43 HG LEU 43 -3.930 -4.550 -3.571 339 HD11 LEU 43 1HD1 LEU 43 -2.592 -2.800 -1.505 340 HD12 LEU 43 2HD1 LEU 43 -1.854 -3.405 -2.988 341 HD13 LEU 43 3HD1 LEU 43 -2.328 -4.531 -1.716 342 HD21 LEU 43 3HD2 LEU 43 -5.027 -3.301 -1.057 343 HD22 LEU 43 1HD2 LEU 43 -4.749 -5.022 -1.329 344 HD23 LEU 43 2HD2 LEU 43 -5.973 -4.168 -2.269 345 HA PRO 44 HA PRO 44 -8.065 0.744 -5.122 346 HB2 PRO 44 2HB PRO 44 -9.162 1.333 -2.693 347 HB3 PRO 44 3HB PRO 44 -9.877 0.187 -3.832 348 HG2 PRO 44 2HG PRO 44 -8.212 -0.338 -1.407 349 HG3 PRO 44 3HG PRO 44 -9.641 -1.206 -1.996 350 HD2 PRO 44 2HD PRO 44 -7.112 -2.117 -2.359 351 HD3 PRO 44 3HD PRO 44 -8.426 -2.440 -3.509 352 H VAL 45 H VAL 45 -7.232 2.733 -5.186 353 HA VAL 45 HA VAL 45 -4.963 3.330 -3.462 354 HB VAL 45 HB VAL 45 -4.558 5.238 -4.975 355 HG11 VAL 45 1HG1 VAL 45 -3.556 3.069 -5.459 356 HG12 VAL 45 2HG1 VAL 45 -3.938 3.933 -6.947 357 HG13 VAL 45 3HG1 VAL 45 -4.973 2.615 -6.401 358 HG21 VAL 45 3HG2 VAL 45 -5.875 5.433 -7.054 359 HG22 VAL 45 1HG2 VAL 45 -6.833 5.772 -5.612 360 HG23 VAL 45 2HG2 VAL 45 -6.995 4.221 -6.434 361 H SER 46 H SER 46 -8.094 3.646 -3.012 362 HA SER 46 HA SER 46 -8.177 6.402 -2.111 363 HB2 SER 46 2HB SER 46 -10.533 5.739 -1.441 364 HB3 SER 46 3HB SER 46 -10.172 5.597 -3.164 365 HG SER 46 HG SER 46 -9.981 3.449 -1.319 366 H GLY 47 H GLY 47 -7.552 6.989 -0.132 367 HA2 GLY 47 2HA GLY 47 -8.361 6.164 2.268 368 HA3 GLY 47 3HA GLY 47 -7.141 4.952 1.904 369 H THR 48 H THR 48 -6.755 6.426 4.094 370 HA THR 48 HA THR 48 -5.142 8.752 3.556 371 HB THR 48 HB THR 48 -4.732 8.732 5.998 372 HG1 THR 48 HG1 THR 48 -6.010 7.117 7.198 373 HG21 THR 48 3HG2 THR 48 -7.070 9.104 6.692 374 HG22 THR 48 1HG2 THR 48 -7.616 8.361 5.187 375 HG23 THR 48 2HG2 THR 48 -6.702 9.869 5.147 376 H LYS 49 H LYS 49 -2.947 8.775 4.836 377 HA LYS 49 HA LYS 49 -1.112 7.149 3.536 378 HB2 LYS 49 2HB LYS 49 -0.509 9.240 4.659 379 HB3 LYS 49 3HB LYS 49 -0.834 8.513 6.225 380 HG2 LYS 49 2HG LYS 49 1.546 8.607 5.813 381 HG3 LYS 49 3HG LYS 49 1.005 6.927 5.858 382 HD2 LYS 49 2HD LYS 49 0.966 6.890 3.403 383 HD3 LYS 49 3HD LYS 49 1.539 8.559 3.378 384 HE2 LYS 49 2HE LYS 49 3.028 6.276 4.660 385 HE3 LYS 49 3HE LYS 49 3.316 6.841 3.018 386 HZ1 LYS 49 3HZ LYS 49 3.652 8.451 5.500 387 HZ2 LYS 49 1HZ LYS 49 3.902 9.014 3.917 388 HZ3 LYS 49 2HZ LYS 49 4.898 7.801 4.551 389 H THR 50 H THR 50 -2.519 6.749 6.777 390 HA THR 50 HA THR 50 -1.129 4.372 7.408 391 HB THR 50 HB THR 50 -3.814 5.275 8.479 392 HG1 THR 50 HG1 THR 50 -1.159 5.885 9.366 393 HG21 THR 50 3HG2 THR 50 -1.671 3.540 9.713 394 HG22 THR 50 1HG2 THR 50 -3.200 2.959 9.048 395 HG23 THR 50 2HG2 THR 50 -3.196 4.007 10.466 396 H GLU 51 H GLU 51 -4.322 4.981 5.984 397 HA GLU 51 HA GLU 51 -5.282 2.358 5.987 398 HB2 GLU 51 2HB GLU 51 -5.883 4.731 4.243 399 HB3 GLU 51 3HB GLU 51 -6.666 3.180 3.980 400 HG2 GLU 51 2HG GLU 51 -6.765 4.775 6.530 401 HG3 GLU 51 3HG GLU 51 -8.040 4.697 5.312 402 H LEU 52 H LEU 52 -3.452 4.091 3.477 403 HA LEU 52 HA LEU 52 -3.629 2.050 1.545 404 HB2 LEU 52 2HB LEU 52 -1.465 4.127 1.855 405 HB3 LEU 52 3HB LEU 52 -1.809 3.206 0.403 406 HG LEU 52 HG LEU 52 -3.550 5.313 1.677 407 HD11 LEU 52 1HD1 LEU 52 -2.163 5.183 -0.996 408 HD12 LEU 52 2HD1 LEU 52 -1.685 6.180 0.378 409 HD13 LEU 52 3HD1 LEU 52 -3.218 6.482 -0.442 410 HD21 LEU 52 3HD2 LEU 52 -4.953 3.501 0.847 411 HD22 LEU 52 1HD2 LEU 52 -4.140 3.575 -0.715 412 HD23 LEU 52 2HD2 LEU 52 -5.112 4.938 -0.162 413 H ILE 53 H ILE 53 -1.268 2.662 4.098 414 HA ILE 53 HA ILE 53 0.588 0.674 3.315 415 HB ILE 53 HB ILE 53 0.072 1.803 6.072 416 HG12 ILE 53 2HG1 ILE 53 2.147 2.564 4.004 417 HG13 ILE 53 3HG1 ILE 53 0.683 3.483 4.340 418 HG21 ILE 53 1HG2 ILE 53 2.436 0.266 4.994 419 HG22 ILE 53 2HG2 ILE 53 1.275 -0.301 6.196 420 HG23 ILE 53 3HG2 ILE 53 2.355 1.040 6.579 421 HD11 ILE 53 3HD1 ILE 53 1.469 3.850 6.637 422 HD12 ILE 53 1HD1 ILE 53 2.581 4.492 5.425 423 HD13 ILE 53 2HD1 ILE 53 2.953 2.976 6.248 424 H GLU 54 H GLU 54 -2.144 0.644 5.583 425 HA GLU 54 HA GLU 54 -1.788 -2.050 6.391 426 HB2 GLU 54 2HB GLU 54 -4.293 -0.354 6.430 427 HB3 GLU 54 3HB GLU 54 -4.085 -1.879 7.279 428 HG2 GLU 54 2HG GLU 54 -2.556 0.664 7.778 429 HG3 GLU 54 3HG GLU 54 -3.829 -0.013 8.790 430 H ARG 55 H ARG 55 -3.492 -0.501 3.762 431 HA ARG 55 HA ARG 55 -5.031 -2.661 2.849 432 HB2 ARG 55 2HB ARG 55 -4.900 -0.133 2.095 433 HB3 ARG 55 3HB ARG 55 -3.740 -0.754 0.930 434 HG2 ARG 55 2HG ARG 55 -5.466 -1.197 -0.387 435 HG3 ARG 55 3HG ARG 55 -5.895 -2.488 0.738 436 HD2 ARG 55 2HD ARG 55 -6.863 0.368 0.831 437 HD3 ARG 55 3HD ARG 55 -7.803 -1.038 0.338 438 HE ARG 55 HE ARG 55 -7.388 -1.840 2.711 439 HH11 ARG 55 1HH1 ARG 55 -7.640 1.554 1.851 440 HH12 ARG 55 2HH1 ARG 55 -8.171 2.039 3.429 441 HH21 ARG 55 1HH2 ARG 55 -8.087 -1.196 4.776 442 HH22 ARG 55 2HH2 ARG 55 -8.417 0.488 5.094 443 H LEU 56 H LEU 56 -1.742 -1.620 2.034 444 HA LEU 56 HA LEU 56 -1.099 -3.664 0.226 445 HB2 LEU 56 2HB LEU 56 0.641 -2.094 2.128 446 HB3 LEU 56 3HB LEU 56 1.275 -3.178 0.904 447 HG LEU 56 HG LEU 56 -0.434 -0.765 0.287 448 HD11 LEU 56 1HD1 LEU 56 1.637 0.322 -0.400 449 HD12 LEU 56 2HD1 LEU 56 2.563 -1.070 0.154 450 HD13 LEU 56 3HD1 LEU 56 1.679 -0.080 1.317 451 HD21 LEU 56 3HD2 LEU 56 -0.463 -2.554 -1.400 452 HD22 LEU 56 1HD2 LEU 56 1.297 -2.491 -1.476 453 HD23 LEU 56 2HD2 LEU 56 0.342 -1.098 -1.986 454 H ARG 57 H ARG 57 -0.676 -3.443 3.736 455 HA ARG 57 HA ARG 57 0.637 -5.895 4.096 456 HB2 ARG 57 2HB ARG 57 -1.024 -4.200 5.951 457 HB3 ARG 57 3HB ARG 57 -0.232 -5.680 6.483 458 HG2 ARG 57 2HG ARG 57 1.931 -4.774 5.892 459 HG3 ARG 57 3HG ARG 57 1.174 -3.313 5.260 460 HD2 ARG 57 2HD ARG 57 0.472 -2.636 7.420 461 HD3 ARG 57 3HD ARG 57 0.855 -4.213 8.114 462 HE ARG 57 HE ARG 57 3.252 -3.413 7.214 463 HH11 ARG 57 1HH1 ARG 57 0.829 -1.680 9.083 464 HH12 ARG 57 2HH1 ARG 57 2.009 -0.813 10.023 465 HH21 ARG 57 1HH2 ARG 57 4.780 -2.245 8.417 466 HH22 ARG 57 2HH2 ARG 57 4.259 -1.107 9.623 467 H ALA 58 H ALA 58 -2.805 -5.087 4.128 468 HA ALA 58 HA ALA 58 -3.737 -7.644 4.878 469 HB1 ALA 58 3HB ALA 58 -5.115 -5.497 3.268 470 HB2 ALA 58 1HB ALA 58 -5.144 -5.666 5.023 471 HB3 ALA 58 2HB ALA 58 -5.903 -6.890 4.005 472 H TYR 59 H TYR 59 -2.881 -6.233 1.766 473 HA TYR 59 HA TYR 59 -3.898 -8.384 0.191 474 HB2 TYR 59 2HB TYR 59 -3.470 -6.107 -0.705 475 HB3 TYR 59 3HB TYR 59 -1.745 -6.377 -0.510 476 HD1 TYR 59 HD2 TYR 59 -4.726 -7.857 -2.194 477 HD2 TYR 59 HD1 TYR 59 -0.522 -7.205 -2.303 478 HE1 TYR 59 HE2 TYR 59 -4.638 -8.849 -4.444 479 HE2 TYR 59 HE1 TYR 59 -0.421 -8.190 -4.553 480 HH TYR 59 HH TYR 59 -1.689 -9.706 -5.962 481 H GLN 60 H GLN 60 -0.728 -7.576 1.534 482 HA GLN 60 HA GLN 60 0.676 -9.711 0.327 483 HB2 GLN 60 2HB GLN 60 1.576 -7.582 1.506 484 HB3 GLN 60 3HB GLN 60 1.423 -8.513 2.988 485 HG2 GLN 60 2HG GLN 60 2.977 -9.529 0.634 486 HG3 GLN 60 3HG GLN 60 3.694 -8.465 1.839 487 HE21 GLN 60 1HE2 GLN 60 4.248 -11.268 1.090 488 HE22 GLN 60 2HE2 GLN 60 4.143 -12.167 2.571 489 H ASP 61 H ASP 61 -1.174 -9.413 3.284 490 HA ASP 61 HA ASP 61 -0.491 -11.829 4.511 491 HB2 ASP 61 2HB ASP 61 -1.758 -10.090 5.661 492 HB3 ASP 61 3HB ASP 61 -3.116 -10.320 4.564 493 H GLN 62 H GLN 62 -2.958 -11.085 2.097 494 HA GLN 62 HA GLN 62 -3.901 -13.821 2.065 495 HB2 GLN 62 2HB GLN 62 -5.522 -13.012 0.392 496 HB3 GLN 62 3HB GLN 62 -5.548 -12.059 1.869 497 HG2 GLN 62 2HG GLN 62 -4.058 -10.409 0.691 498 HG3 GLN 62 3HG GLN 62 -4.368 -11.315 -0.788 499 HE21 GLN 62 1HE2 GLN 62 -5.726 -9.264 1.659 500 HE22 GLN 62 2HE2 GLN 62 -7.178 -8.853 0.802 501 H ILE 63 H ILE 63 -1.211 -12.551 0.864 502 HA ILE 63 HA ILE 63 -1.222 -13.577 -1.809 503 HB ILE 63 HB ILE 63 1.047 -12.830 0.042 504 HG12 ILE 63 2HG1 ILE 63 -0.281 -10.948 -0.742 505 HG13 ILE 63 3HG1 ILE 63 1.305 -10.922 -1.506 506 HG21 ILE 63 1HG2 ILE 63 1.249 -13.614 -2.862 507 HG22 ILE 63 2HG2 ILE 63 1.811 -14.577 -1.497 508 HG23 ILE 63 3HG2 ILE 63 2.564 -13.023 -1.850 509 HD11 ILE 63 3HD1 ILE 63 -0.440 -10.354 -3.084 510 HD12 ILE 63 1HD1 ILE 63 -1.248 -11.889 -2.769 511 HD13 ILE 63 2HD1 ILE 63 0.341 -11.869 -3.534 512 H SER 64 H SER 64 -0.540 -14.867 1.358 513 HA SER 64 HA SER 64 0.170 -17.447 0.141 514 HB2 SER 64 2HB SER 64 0.648 -16.490 2.976 515 HB3 SER 64 3HB SER 64 1.181 -18.025 2.293 516 HG SER 64 HG SER 64 2.041 -15.410 1.600 517 HA PRO 65 HA PRO 65 -3.994 -18.437 1.698 518 HB2 PRO 65 2HB PRO 65 -4.357 -20.552 0.033 519 HB3 PRO 65 3HB PRO 65 -4.669 -18.883 -0.461 520 HG2 PRO 65 2HG PRO 65 -2.296 -20.612 -1.012 521 HG3 PRO 65 3HG PRO 65 -3.128 -19.480 -2.091 522 HD2 PRO 65 2HD PRO 65 -0.796 -18.894 -0.814 523 HD3 PRO 65 3HD PRO 65 -1.995 -17.666 -1.261 524 H VAL 66 H VAL 66 -3.618 -19.287 3.684 525 HA VAL 66 HA VAL 66 -1.810 -21.548 3.962 526 HB VAL 66 HB VAL 66 -2.147 -21.244 6.408 527 HG11 VAL 66 1HG1 VAL 66 -0.310 -20.137 5.260 528 HG12 VAL 66 2HG1 VAL 66 -0.929 -19.127 6.568 529 HG13 VAL 66 3HG1 VAL 66 -1.352 -18.761 4.896 530 HG21 VAL 66 3HG2 VAL 66 -3.867 -18.923 5.540 531 HG22 VAL 66 1HG2 VAL 66 -3.282 -19.182 7.184 532 HG23 VAL 66 2HG2 VAL 66 -4.385 -20.342 6.447 533 HA PRO 67 HA PRO 67 -5.038 -24.628 4.198 534 HB2 PRO 67 2HB PRO 67 -3.079 -26.100 5.849 535 HB3 PRO 67 3HB PRO 67 -3.854 -26.576 4.334 536 HG2 PRO 67 2HG PRO 67 -1.267 -25.892 4.415 537 HG3 PRO 67 3HG PRO 67 -2.296 -25.473 3.034 538 HD2 PRO 67 2HD PRO 67 -1.374 -23.746 5.304 539 HD3 PRO 67 3HD PRO 67 -1.511 -23.359 3.574 540 H GLY 68 H GLY 68 -6.608 -25.040 5.670 541 HA2 GLY 68 2HA GLY 68 -7.649 -25.146 7.754 542 HA3 GLY 68 3HA GLY 68 -6.128 -24.680 8.508 543 H ALA 69 H ALA 69 -5.415 -22.395 7.947 544 HA ALA 69 HA ALA 69 -5.713 -20.145 8.019 545 HB1 ALA 69 3HB ALA 69 -8.348 -20.744 6.676 546 HB2 ALA 69 1HB ALA 69 -6.808 -20.487 5.856 547 HB3 ALA 69 2HB ALA 69 -7.560 -19.167 6.755 548 HA PRO 70 HA PRO 70 -8.270 -19.153 11.569 549 HB2 PRO 70 2HB PRO 70 -9.005 -16.523 10.520 550 HB3 PRO 70 3HB PRO 70 -7.970 -16.923 11.891 551 HG2 PRO 70 2HG PRO 70 -7.005 -15.864 9.597 552 HG3 PRO 70 3HG PRO 70 -6.063 -16.969 10.616 553 HD2 PRO 70 2HD PRO 70 -7.548 -17.534 8.074 554 HD3 PRO 70 3HD PRO 70 -5.965 -18.134 8.615 555 H LYS 71 H LYS 71 -9.812 -20.757 10.688 556 HA LYS 71 HA LYS 71 -11.839 -21.507 10.043 557 HB2 LYS 71 2HB LYS 71 -12.440 -19.944 11.963 558 HB3 LYS 71 3HB LYS 71 -12.905 -18.770 10.740 559 HG2 LYS 71 2HG LYS 71 -14.082 -21.499 10.613 560 HG3 LYS 71 3HG LYS 71 -14.663 -20.383 11.848 561 HD2 LYS 71 2HD LYS 71 -14.566 -19.770 8.896 562 HD3 LYS 71 3HD LYS 71 -15.997 -20.350 9.751 563 HE2 LYS 71 2HE LYS 71 -14.497 -17.809 10.381 564 HE3 LYS 71 3HE LYS 71 -15.995 -17.899 9.456 565 HZ1 LYS 71 3HZ LYS 71 -15.625 -18.653 12.307 566 HZ2 LYS 71 1HZ LYS 71 -17.058 -18.889 11.430 567 HZ3 LYS 71 2HZ LYS 71 -16.485 -17.319 11.717 568 H ALA 72 H ALA 72 -11.122 -21.660 7.879 569 HA ALA 72 HA ALA 72 -12.775 -20.236 6.015 570 HB1 ALA 72 3HB ALA 72 -10.969 -18.591 6.317 571 HB2 ALA 72 1HB ALA 72 -10.961 -19.267 4.687 572 HB3 ALA 72 2HB ALA 72 -9.782 -19.820 5.878 573 HA PRO 73 HA PRO 73 -12.090 -23.958 3.627 574 HB2 PRO 73 2HB PRO 73 -11.831 -22.276 1.205 575 HB3 PRO 73 3HB PRO 73 -12.989 -23.561 1.563 576 HG2 PRO 73 2HG PRO 73 -13.736 -20.998 1.549 577 HG3 PRO 73 3HG PRO 73 -14.405 -22.145 2.725 578 HD2 PRO 73 2HD PRO 73 -12.271 -20.075 3.098 579 HD3 PRO 73 3HD PRO 73 -13.601 -20.527 4.184 580 H ALA 74 H ALA 74 -10.405 -25.145 2.749 581 HA ALA 74 HA ALA 74 -7.874 -23.686 2.346 582 HB1 ALA 74 3HB ALA 74 -6.687 -25.504 3.439 583 HB2 ALA 74 1HB ALA 74 -8.208 -26.353 3.714 584 HB3 ALA 74 2HB ALA 74 -7.898 -24.817 4.522 585 H ALA 75 H ALA 75 -6.358 -24.711 0.930 586 HA ALA 75 HA ALA 75 -7.663 -26.330 -1.128 587 HB1 ALA 75 3HB ALA 75 -5.048 -24.824 -1.213 588 HB2 ALA 75 1HB ALA 75 -6.584 -24.268 -1.875 589 HB3 ALA 75 2HB ALA 75 -5.787 -25.686 -2.562 Start of MODEL 18 1 H1 MET 1 1H MET 1 20.995 -45.064 -6.383 2 H2 MET 1 2H MET 1 21.048 -45.215 -4.701 3 H3 MET 1 3H MET 1 20.584 -46.537 -5.651 4 HA MET 1 HA MET 1 22.807 -46.870 -4.898 5 HB2 MET 1 2HB MET 1 22.647 -46.094 -7.819 6 HB3 MET 1 3HB MET 1 23.972 -47.003 -7.106 7 HG2 MET 1 2HG MET 1 21.097 -47.885 -7.207 8 HG3 MET 1 3HG MET 1 22.387 -48.443 -8.271 9 HE1 MET 1 3HE MET 1 24.724 -50.378 -5.801 10 HE2 MET 1 1HE MET 1 24.859 -48.712 -6.361 11 HE3 MET 1 2HE MET 1 24.409 -49.987 -7.492 12 H GLY 2 H GLY 2 24.354 -45.842 -3.856 13 HA2 GLY 2 2HA GLY 2 26.352 -44.478 -4.050 14 HA3 GLY 2 3HA GLY 2 25.425 -43.355 -5.035 15 H HIS 3 H HIS 3 25.010 -41.535 -4.022 16 HA HIS 3 HA HIS 3 24.756 -41.536 -1.098 17 HB2 HIS 3 2HB HIS 3 25.123 -39.279 -3.081 18 HB3 HIS 3 3HB HIS 3 24.877 -39.037 -1.356 19 HD1 HIS 3 HD1 HIS 3 26.914 -39.053 0.081 20 HD2 HIS 3 HD2 HIS 3 27.621 -40.659 -3.689 21 HE1 HIS 3 HE1 HIS 3 29.401 -39.388 -0.059 22 HE2 HIS 3 HE2 HIS 3 29.817 -40.135 -2.425 23 H HIS 4 H HIS 4 23.029 -40.259 -0.131 24 HA HIS 4 HA HIS 4 20.516 -40.713 -1.443 25 HB2 HIS 4 2HB HIS 4 21.297 -39.486 1.192 26 HB3 HIS 4 3HB HIS 4 19.637 -39.411 0.609 27 HD1 HIS 4 HD1 HIS 4 21.855 -41.521 2.533 28 HD2 HIS 4 HD2 HIS 4 18.577 -42.120 0.040 29 HE1 HIS 4 HE1 HIS 4 21.018 -43.832 3.052 30 HE2 HIS 4 HE2 HIS 4 19.164 -44.240 1.395 31 H HIS 5 H HIS 5 19.878 -39.500 -3.034 32 HA HIS 5 HA HIS 5 20.998 -36.916 -3.531 33 HB2 HIS 5 2HB HIS 5 18.808 -38.455 -4.935 34 HB3 HIS 5 3HB HIS 5 19.443 -36.914 -5.502 35 HD1 HIS 5 HD1 HIS 5 21.905 -36.911 -6.397 36 HD2 HIS 5 HD2 HIS 5 20.350 -40.671 -5.534 37 HE1 HIS 5 HE1 HIS 5 23.449 -38.559 -7.511 38 HE2 HIS 5 HE2 HIS 5 22.343 -40.797 -7.179 39 H HIS 6 H HIS 6 18.160 -38.071 -1.938 40 HA HIS 6 HA HIS 6 16.922 -35.428 -2.051 41 HB2 HIS 6 2HB HIS 6 15.552 -37.538 -2.302 42 HB3 HIS 6 3HB HIS 6 15.890 -37.873 -0.607 43 HD1 HIS 6 HD1 HIS 6 13.776 -37.416 0.610 44 HD2 HIS 6 HD2 HIS 6 14.601 -34.499 -2.241 45 HE1 HIS 6 HE1 HIS 6 11.977 -35.671 0.879 46 HE2 HIS 6 HE2 HIS 6 12.580 -33.848 -0.760 47 H HIS 7 H HIS 7 18.732 -34.505 -0.945 48 HA HIS 7 HA HIS 7 18.335 -34.392 1.918 49 HB2 HIS 7 2HB HIS 7 19.986 -36.259 1.573 50 HB3 HIS 7 3HB HIS 7 21.058 -35.105 0.793 51 HD1 HIS 7 HD1 HIS 7 22.529 -33.694 2.290 52 HD2 HIS 7 HD2 HIS 7 19.638 -35.832 4.384 53 HE1 HIS 7 HE1 HIS 7 23.119 -33.432 4.719 54 HE2 HIS 7 HE2 HIS 7 21.520 -34.957 5.931 55 H HIS 8 H HIS 8 18.731 -32.347 2.629 56 HA HIS 8 HA HIS 8 19.640 -30.483 0.549 57 HB2 HIS 8 2HB HIS 8 17.726 -30.197 2.837 58 HB3 HIS 8 3HB HIS 8 18.518 -28.773 2.169 59 HD1 HIS 8 HD1 HIS 8 15.675 -30.979 1.671 60 HD2 HIS 8 HD2 HIS 8 17.961 -28.421 -0.684 61 HE1 HIS 8 HE1 HIS 8 14.317 -30.570 -0.409 62 HE2 HIS 8 HE2 HIS 8 15.787 -29.142 -1.883 63 H SER 9 H SER 9 21.109 -28.901 0.949 64 HA SER 9 HA SER 9 22.888 -29.307 3.211 65 HB2 SER 9 2HB SER 9 23.893 -28.907 1.022 66 HB3 SER 9 3HB SER 9 22.995 -27.401 0.855 67 HG SER 9 HG SER 9 25.318 -27.936 2.220 68 H HIS 10 H HIS 10 22.540 -28.271 5.085 69 HA HIS 10 HA HIS 10 20.692 -26.035 5.153 70 HB2 HIS 10 2HB HIS 10 20.790 -27.889 6.919 71 HB3 HIS 10 3HB HIS 10 22.265 -27.116 7.495 72 HD1 HIS 10 HD1 HIS 10 21.704 -25.840 9.542 73 HD2 HIS 10 HD2 HIS 10 18.732 -25.552 6.651 74 HE1 HIS 10 HE1 HIS 10 19.983 -24.263 10.492 75 HE2 HIS 10 HE2 HIS 10 18.304 -23.952 8.631 76 H MET 11 H MET 11 24.061 -26.628 5.050 77 HA MET 11 HA MET 11 24.991 -24.138 6.036 78 HB2 MET 11 2HB MET 11 26.449 -26.115 5.702 79 HB3 MET 11 3HB MET 11 26.257 -25.947 3.962 80 HG2 MET 11 2HG MET 11 27.340 -23.762 4.050 81 HG3 MET 11 3HG MET 11 27.518 -23.920 5.797 82 HE1 MET 11 3HE MET 11 29.965 -23.245 3.910 83 HE2 MET 11 1HE MET 11 31.199 -24.314 4.575 84 HE3 MET 11 2HE MET 11 30.103 -23.457 5.656 85 H SER 12 H SER 12 23.788 -25.250 2.961 86 HA SER 12 HA SER 12 24.297 -22.735 1.636 87 HB2 SER 12 2HB SER 12 22.597 -25.064 0.705 88 HB3 SER 12 3HB SER 12 23.250 -23.761 -0.291 89 HG SER 12 HG SER 12 24.620 -25.890 0.976 90 H THR 13 H THR 13 23.198 -21.203 2.765 91 HA THR 13 HA THR 13 20.330 -21.601 3.237 92 HB THR 13 HB THR 13 22.199 -19.522 4.401 93 HG1 THR 13 HG1 THR 13 22.216 -22.025 4.932 94 HG21 THR 13 3HG2 THR 13 20.402 -19.187 6.055 95 HG22 THR 13 1HG2 THR 13 19.380 -20.308 5.157 96 HG23 THR 13 2HG2 THR 13 19.877 -18.784 4.421 97 HA PRO 14 HA PRO 14 19.539 -18.473 0.107 98 HB2 PRO 14 2HB PRO 14 16.897 -18.176 1.332 99 HB3 PRO 14 3HB PRO 14 17.319 -18.764 -0.278 100 HG2 PRO 14 2HG PRO 14 16.342 -20.385 1.662 101 HG3 PRO 14 3HG PRO 14 17.468 -20.952 0.415 102 HD2 PRO 14 2HD PRO 14 18.005 -20.212 3.267 103 HD3 PRO 14 3HD PRO 14 18.673 -21.547 2.303 104 H LEU 15 H LEU 15 20.955 -16.921 1.018 105 HA LEU 15 HA LEU 15 20.404 -15.380 3.301 106 HB2 LEU 15 2HB LEU 15 22.145 -14.976 0.899 107 HB3 LEU 15 3HB LEU 15 21.909 -13.654 2.023 108 HG LEU 15 HG LEU 15 22.778 -15.137 3.847 109 HD11 LEU 15 1HD1 LEU 15 24.043 -17.123 3.230 110 HD12 LEU 15 2HD1 LEU 15 23.521 -16.944 1.555 111 HD13 LEU 15 3HD1 LEU 15 22.338 -17.299 2.814 112 HD21 LEU 15 3HD2 LEU 15 25.113 -14.910 3.187 113 HD22 LEU 15 1HD2 LEU 15 24.182 -13.473 2.761 114 HD23 LEU 15 2HD2 LEU 15 24.620 -14.643 1.515 115 H THR 16 H THR 16 19.467 -15.028 -0.052 116 HA THR 16 HA THR 16 17.488 -13.060 0.790 117 HB THR 16 HB THR 16 19.457 -11.845 -0.201 118 HG1 THR 16 HG1 THR 16 17.891 -10.903 -1.983 119 HG21 THR 16 3HG2 THR 16 20.096 -13.519 -1.875 120 HG22 THR 16 1HG2 THR 16 19.797 -11.948 -2.623 121 HG23 THR 16 2HG2 THR 16 18.589 -13.227 -2.742 122 H GLY 17 H GLY 17 15.788 -12.800 -0.951 123 HA2 GLY 17 2HA GLY 17 15.387 -15.409 -2.281 124 HA3 GLY 17 3HA GLY 17 14.085 -14.481 -1.547 125 H LYS 18 H LYS 18 12.844 -13.510 -2.958 126 HA LYS 18 HA LYS 18 14.013 -12.053 -5.188 127 HB2 LYS 18 2HB LYS 18 12.031 -14.303 -5.502 128 HB3 LYS 18 3HB LYS 18 12.146 -13.011 -6.687 129 HG2 LYS 18 2HG LYS 18 14.377 -14.877 -5.897 130 HG3 LYS 18 3HG LYS 18 13.413 -14.974 -7.374 131 HD2 LYS 18 2HD LYS 18 14.226 -12.743 -8.028 132 HD3 LYS 18 3HD LYS 18 15.217 -12.688 -6.570 133 HE2 LYS 18 2HE LYS 18 16.434 -14.682 -7.347 134 HE3 LYS 18 3HE LYS 18 15.466 -14.684 -8.821 135 HZ1 LYS 18 3HZ LYS 18 16.342 -12.412 -9.260 136 HZ2 LYS 18 1HZ LYS 18 17.530 -13.623 -9.286 137 HZ3 LYS 18 2HZ LYS 18 17.391 -12.600 -7.941 138 HA PRO 19 HA PRO 19 10.965 -9.008 -4.169 139 HB2 PRO 19 2HB PRO 19 10.488 -8.758 -7.097 140 HB3 PRO 19 3HB PRO 19 10.926 -7.517 -5.918 141 HG2 PRO 19 2HG PRO 19 12.731 -8.427 -7.632 142 HG3 PRO 19 3HG PRO 19 13.173 -8.098 -5.946 143 HD2 PRO 19 2HD PRO 19 12.624 -10.719 -7.283 144 HD3 PRO 19 3HD PRO 19 13.876 -10.300 -6.096 145 H GLY 20 H GLY 20 8.984 -9.335 -3.474 146 HA2 GLY 20 2HA GLY 20 6.759 -10.029 -5.021 147 HA3 GLY 20 3HA GLY 20 7.367 -11.508 -4.282 148 H ALA 21 H ALA 21 8.350 -10.268 -1.919 149 HA ALA 21 HA ALA 21 5.861 -9.791 -0.487 150 HB1 ALA 21 3HB ALA 21 7.451 -11.374 0.478 151 HB2 ALA 21 1HB ALA 21 7.231 -9.981 1.535 152 HB3 ALA 21 2HB ALA 21 8.683 -10.114 0.541 153 H LEU 22 H LEU 22 6.312 -8.080 1.417 154 HA LEU 22 HA LEU 22 6.742 -5.593 -0.023 155 HB2 LEU 22 2HB LEU 22 5.681 -6.131 2.752 156 HB3 LEU 22 3HB LEU 22 5.778 -4.547 2.006 157 HG LEU 22 HG LEU 22 4.112 -6.842 0.978 158 HD11 LEU 22 1HD1 LEU 22 2.207 -5.564 1.787 159 HD12 LEU 22 2HD1 LEU 22 3.294 -4.346 2.456 160 HD13 LEU 22 3HD1 LEU 22 3.293 -5.983 3.113 161 HD21 LEU 22 3HD2 LEU 22 3.125 -5.168 -0.495 162 HD22 LEU 22 1HD2 LEU 22 4.858 -5.315 -0.783 163 HD23 LEU 22 2HD2 LEU 22 4.229 -3.946 0.136 164 HA PRO 23 HA PRO 23 10.625 -4.641 1.986 165 HB2 PRO 23 2HB PRO 23 10.421 -1.925 2.120 166 HB3 PRO 23 3HB PRO 23 10.821 -2.797 0.637 167 HG2 PRO 23 2HG PRO 23 8.207 -1.653 1.518 168 HG3 PRO 23 3HG PRO 23 8.947 -1.653 -0.093 169 HD2 PRO 23 2HD PRO 23 6.977 -3.379 0.626 170 HD3 PRO 23 3HD PRO 23 8.232 -3.786 -0.560 171 H ALA 24 H ALA 24 11.255 -2.838 3.828 172 HA ALA 24 HA ALA 24 9.813 -3.836 6.130 173 HB1 ALA 24 3HB ALA 24 12.232 -2.039 5.994 174 HB2 ALA 24 1HB ALA 24 12.262 -3.799 6.116 175 HB3 ALA 24 2HB ALA 24 11.601 -2.835 7.437 176 H ASN 25 H ASN 25 10.595 -0.664 4.726 177 HA ASN 25 HA ASN 25 8.671 0.530 6.595 178 HB2 ASN 25 2HB ASN 25 11.036 1.672 5.143 179 HB3 ASN 25 3HB ASN 25 9.765 2.720 5.763 180 HD21 ASN 25 1HD2 ASN 25 9.407 2.825 7.989 181 HD22 ASN 25 2HD2 ASN 25 10.648 2.383 9.118 182 H LEU 26 H LEU 26 6.811 -0.023 5.443 183 HA LEU 26 HA LEU 26 6.348 1.096 2.830 184 HB2 LEU 26 2HB LEU 26 4.445 -0.026 4.887 185 HB3 LEU 26 3HB LEU 26 3.979 0.462 3.271 186 HG LEU 26 HG LEU 26 5.944 -1.744 3.889 187 HD11 LEU 26 1HD1 LEU 26 4.143 -3.253 3.217 188 HD12 LEU 26 2HD1 LEU 26 3.050 -1.878 3.057 189 HD13 LEU 26 3HD1 LEU 26 3.693 -2.312 4.639 190 HD21 LEU 26 3HD2 LEU 26 4.627 -0.865 1.322 191 HD22 LEU 26 1HD2 LEU 26 5.630 -2.303 1.519 192 HD23 LEU 26 2HD2 LEU 26 6.335 -0.700 1.733 193 H ASP 27 H ASP 27 6.235 2.162 6.059 194 HA ASP 27 HA ASP 27 4.256 4.225 5.709 195 HB2 ASP 27 2HB ASP 27 4.714 4.787 8.009 196 HB3 ASP 27 3HB ASP 27 4.657 3.033 7.878 197 H ASP 28 H ASP 28 7.606 3.897 5.198 198 HA ASP 28 HA ASP 28 8.269 6.659 5.663 199 HB2 ASP 28 2HB ASP 28 9.908 4.861 6.069 200 HB3 ASP 28 3HB ASP 28 9.895 4.470 4.351 201 H MET 29 H MET 29 7.357 4.686 2.948 202 HA MET 29 HA MET 29 8.358 6.423 0.932 203 HB2 MET 29 2HB MET 29 6.246 4.269 0.804 204 HB3 MET 29 3HB MET 29 6.888 5.111 -0.599 205 HG2 MET 29 2HG MET 29 9.145 4.275 -0.002 206 HG3 MET 29 3HG MET 29 8.407 3.336 1.294 207 HE1 MET 29 3HE MET 29 5.629 2.511 -0.173 208 HE2 MET 29 1HE MET 29 6.574 1.434 0.853 209 HE3 MET 29 2HE MET 29 6.079 0.905 -0.753 210 H LYS 30 H LYS 30 6.957 7.495 -0.676 211 HA LYS 30 HA LYS 30 5.238 9.372 0.619 212 HB2 LYS 30 2HB LYS 30 5.477 8.997 -2.358 213 HB3 LYS 30 3HB LYS 30 5.130 10.471 -1.471 214 HG2 LYS 30 2HG LYS 30 7.359 10.691 -0.758 215 HG3 LYS 30 3HG LYS 30 7.757 9.041 -1.243 216 HD2 LYS 30 2HD LYS 30 7.304 9.700 -3.603 217 HD3 LYS 30 3HD LYS 30 7.103 11.365 -3.052 218 HE2 LYS 30 2HE LYS 30 9.381 11.391 -2.220 219 HE3 LYS 30 3HE LYS 30 9.586 9.701 -2.667 220 HZ1 LYS 30 3HZ LYS 30 10.571 11.244 -4.277 221 HZ2 LYS 30 1HZ LYS 30 9.040 11.905 -4.585 222 HZ3 LYS 30 2HZ LYS 30 9.357 10.288 -4.977 223 H VAL 31 H VAL 31 3.045 9.876 -0.348 224 HA VAL 31 HA VAL 31 1.361 7.600 -0.098 225 HB VAL 31 HB VAL 31 0.673 10.350 -1.163 226 HG11 VAL 31 1HG1 VAL 31 -1.019 8.706 -1.738 227 HG12 VAL 31 2HG1 VAL 31 -1.622 9.797 -0.490 228 HG13 VAL 31 3HG1 VAL 31 -1.095 8.171 -0.058 229 HG21 VAL 31 3HG2 VAL 31 1.646 10.454 1.075 230 HG22 VAL 31 1HG2 VAL 31 0.476 9.266 1.646 231 HG23 VAL 31 2HG2 VAL 31 -0.071 10.854 1.107 232 H ALA 32 H ALA 32 2.650 9.432 -2.791 233 HA ALA 32 HA ALA 32 1.127 8.268 -4.859 234 HB1 ALA 32 3HB ALA 32 3.906 9.446 -4.958 235 HB2 ALA 32 1HB ALA 32 2.393 10.325 -5.179 236 HB3 ALA 32 2HB ALA 32 2.884 9.105 -6.353 237 H GLU 33 H GLU 33 4.123 7.305 -3.269 238 HA GLU 33 HA GLU 33 4.834 5.241 -5.068 239 HB2 GLU 33 2HB GLU 33 5.488 5.337 -2.120 240 HB3 GLU 33 3HB GLU 33 6.381 4.503 -3.383 241 HG2 GLU 33 2HG GLU 33 6.150 7.471 -2.979 242 HG3 GLU 33 3HG GLU 33 7.579 6.470 -2.745 243 H LEU 34 H LEU 34 2.937 5.339 -2.100 244 HA LEU 34 HA LEU 34 2.422 2.590 -1.861 245 HB2 LEU 34 2HB LEU 34 0.682 4.921 -1.046 246 HB3 LEU 34 3HB LEU 34 0.495 3.270 -0.487 247 HG LEU 34 HG LEU 34 2.919 4.992 0.039 248 HD11 LEU 34 1HD1 LEU 34 0.931 5.845 1.174 249 HD12 LEU 34 2HD1 LEU 34 2.086 5.155 2.315 250 HD13 LEU 34 3HD1 LEU 34 0.642 4.248 1.866 251 HD21 LEU 34 3HD2 LEU 34 3.548 3.249 1.602 252 HD22 LEU 34 1HD2 LEU 34 3.373 2.576 -0.018 253 HD23 LEU 34 2HD2 LEU 34 2.107 2.321 1.185 254 H LYS 35 H LYS 35 0.730 5.171 -3.585 255 HA LYS 35 HA LYS 35 -1.496 3.696 -4.425 256 HB2 LYS 35 2HB LYS 35 -0.125 6.056 -5.716 257 HB3 LYS 35 3HB LYS 35 -1.658 5.396 -6.266 258 HG2 LYS 35 2HG LYS 35 -2.592 5.862 -4.006 259 HG3 LYS 35 3HG LYS 35 -1.077 6.679 -3.608 260 HD2 LYS 35 2HD LYS 35 -1.421 8.234 -5.458 261 HD3 LYS 35 3HD LYS 35 -2.924 7.411 -5.880 262 HE2 LYS 35 2HE LYS 35 -3.794 7.967 -3.624 263 HE3 LYS 35 3HE LYS 35 -2.327 8.902 -3.331 264 HZ1 LYS 35 3HZ LYS 35 -4.362 9.415 -5.436 265 HZ2 LYS 35 1HZ LYS 35 -2.902 10.272 -5.278 266 HZ3 LYS 35 2HZ LYS 35 -4.073 10.355 -4.054 267 H GLN 36 H GLN 36 1.742 3.956 -5.777 268 HA GLN 36 HA GLN 36 1.227 2.706 -8.245 269 HB2 GLN 36 2HB GLN 36 3.725 2.876 -6.563 270 HB3 GLN 36 3HB GLN 36 3.699 2.102 -8.142 271 HG2 GLN 36 2HG GLN 36 2.963 4.970 -7.598 272 HG3 GLN 36 3HG GLN 36 4.515 4.416 -8.225 273 HE21 GLN 36 1HE2 GLN 36 3.344 2.349 -9.889 274 HE22 GLN 36 2HE2 GLN 36 2.597 3.161 -11.225 275 H GLU 37 H GLU 37 2.229 1.359 -5.116 276 HA GLU 37 HA GLU 37 2.357 -1.332 -5.970 277 HB2 GLU 37 2HB GLU 37 1.870 -0.165 -3.223 278 HB3 GLU 37 3HB GLU 37 2.211 -1.859 -3.539 279 HG2 GLU 37 2HG GLU 37 4.054 0.434 -4.163 280 HG3 GLU 37 3HG GLU 37 4.184 -0.645 -2.774 281 H LEU 38 H LEU 38 -0.252 0.717 -4.966 282 HA LEU 38 HA LEU 38 -2.132 -1.398 -4.495 283 HB2 LEU 38 2HB LEU 38 -2.498 1.570 -4.882 284 HB3 LEU 38 3HB LEU 38 -3.780 0.470 -4.418 285 HG LEU 38 HG LEU 38 -1.285 0.818 -2.763 286 HD11 LEU 38 1HD1 LEU 38 -3.906 2.277 -2.490 287 HD12 LEU 38 2HD1 LEU 38 -2.378 2.990 -3.011 288 HD13 LEU 38 3HD1 LEU 38 -2.544 2.360 -1.371 289 HD21 LEU 38 3HD2 LEU 38 -4.043 -0.232 -2.133 290 HD22 LEU 38 1HD2 LEU 38 -2.730 -0.038 -0.972 291 HD23 LEU 38 2HD2 LEU 38 -2.573 -1.191 -2.298 292 H LYS 39 H LYS 39 -1.662 1.007 -7.087 293 HA LYS 39 HA LYS 39 -3.916 0.203 -8.591 294 HB2 LYS 39 2HB LYS 39 -3.044 1.618 -10.361 295 HB3 LYS 39 3HB LYS 39 -2.860 2.421 -8.809 296 HG2 LYS 39 2HG LYS 39 -0.470 1.549 -8.818 297 HG3 LYS 39 3HG LYS 39 -0.741 1.157 -10.516 298 HD2 LYS 39 2HD LYS 39 -1.012 3.892 -9.265 299 HD3 LYS 39 3HD LYS 39 0.339 3.340 -10.253 300 HE2 LYS 39 2HE LYS 39 -1.142 3.070 -12.162 301 HE3 LYS 39 3HE LYS 39 -2.523 3.547 -11.177 302 HZ1 LYS 39 3HZ LYS 39 -1.439 5.714 -10.845 303 HZ2 LYS 39 1HZ LYS 39 -1.787 5.405 -12.476 304 HZ3 LYS 39 2HZ LYS 39 -0.202 5.245 -11.907 305 H LEU 40 H LEU 40 -0.672 -1.024 -8.443 306 HA LEU 40 HA LEU 40 -0.853 -2.490 -10.914 307 HB2 LEU 40 2HB LEU 40 1.089 -2.660 -8.612 308 HB3 LEU 40 3HB LEU 40 1.240 -3.585 -10.091 309 HG LEU 40 HG LEU 40 1.351 -0.575 -9.874 310 HD11 LEU 40 1HD1 LEU 40 3.494 -2.620 -10.426 311 HD12 LEU 40 2HD1 LEU 40 3.331 -1.638 -8.970 312 HD13 LEU 40 3HD1 LEU 40 3.702 -0.871 -10.513 313 HD21 LEU 40 3HD2 LEU 40 1.742 -2.363 -12.272 314 HD22 LEU 40 1HD2 LEU 40 1.948 -0.613 -12.236 315 HD23 LEU 40 2HD2 LEU 40 0.351 -1.319 -11.984 316 H ARG 41 H ARG 41 -2.182 -2.913 -7.869 317 HA ARG 41 HA ARG 41 -2.412 -5.818 -8.294 318 HB2 ARG 41 2HB ARG 41 -1.982 -4.313 -5.716 319 HB3 ARG 41 3HB ARG 41 -2.514 -5.988 -5.770 320 HG2 ARG 41 2HG ARG 41 -0.488 -6.680 -6.811 321 HG3 ARG 41 3HG ARG 41 0.027 -5.008 -7.047 322 HD2 ARG 41 2HD ARG 41 0.252 -4.690 -4.675 323 HD3 ARG 41 3HD ARG 41 -0.434 -6.283 -4.353 324 HE ARG 41 HE ARG 41 1.571 -7.236 -5.371 325 HH11 ARG 41 1HH1 ARG 41 1.718 -3.857 -4.483 326 HH12 ARG 41 2HH1 ARG 41 3.444 -3.853 -4.276 327 HH21 ARG 41 1HH2 ARG 41 3.814 -7.256 -5.097 328 HH22 ARG 41 2HH2 ARG 41 4.643 -5.802 -4.598 329 H SER 42 H SER 42 -4.129 -3.321 -8.821 330 HA SER 42 HA SER 42 -6.342 -2.837 -8.941 331 HB2 SER 42 2HB SER 42 -6.674 -5.711 -8.045 332 HB3 SER 42 3HB SER 42 -7.938 -4.706 -8.752 333 HG SER 42 HG SER 42 -6.062 -4.494 -10.469 334 H LEU 43 H LEU 43 -4.895 -2.335 -6.478 335 HA LEU 43 HA LEU 43 -6.928 -2.688 -4.406 336 HB2 LEU 43 2HB LEU 43 -4.060 -1.769 -4.355 337 HB3 LEU 43 3HB LEU 43 -5.108 -1.664 -2.955 338 HG LEU 43 HG LEU 43 -4.620 -4.281 -4.352 339 HD11 LEU 43 1HD1 LEU 43 -2.439 -3.405 -3.734 340 HD12 LEU 43 2HD1 LEU 43 -2.893 -4.732 -2.666 341 HD13 LEU 43 3HD1 LEU 43 -3.017 -3.066 -2.103 342 HD21 LEU 43 3HD2 LEU 43 -5.463 -3.544 -1.553 343 HD22 LEU 43 1HD2 LEU 43 -5.256 -5.186 -2.169 344 HD23 LEU 43 2HD2 LEU 43 -6.521 -4.148 -2.828 345 HA PRO 44 HA PRO 44 -8.411 1.506 -4.670 346 HB2 PRO 44 2HB PRO 44 -8.577 1.448 -1.721 347 HB3 PRO 44 3HB PRO 44 -9.856 1.690 -2.915 348 HG2 PRO 44 2HG PRO 44 -9.661 -0.592 -1.527 349 HG3 PRO 44 3HG PRO 44 -10.177 -0.582 -3.225 350 HD2 PRO 44 2HD PRO 44 -7.509 -1.281 -2.057 351 HD3 PRO 44 3HD PRO 44 -8.402 -2.065 -3.377 352 H VAL 45 H VAL 45 -7.191 3.246 -4.966 353 HA VAL 45 HA VAL 45 -4.774 3.607 -3.364 354 HB VAL 45 HB VAL 45 -4.097 5.251 -5.044 355 HG11 VAL 45 1HG1 VAL 45 -5.092 2.698 -6.304 356 HG12 VAL 45 2HG1 VAL 45 -3.585 2.887 -5.409 357 HG13 VAL 45 3HG1 VAL 45 -3.818 3.744 -6.933 358 HG21 VAL 45 3HG2 VAL 45 -6.270 6.171 -5.622 359 HG22 VAL 45 1HG2 VAL 45 -6.741 4.641 -6.361 360 HG23 VAL 45 2HG2 VAL 45 -5.443 5.600 -7.071 361 H SER 46 H SER 46 -7.928 4.650 -3.348 362 HA SER 46 HA SER 46 -7.376 7.359 -2.475 363 HB2 SER 46 2HB SER 46 -9.381 6.641 -3.913 364 HB3 SER 46 3HB SER 46 -10.062 5.984 -2.427 365 HG SER 46 HG SER 46 -9.737 8.613 -3.238 366 H GLY 47 H GLY 47 -8.162 8.143 -0.402 367 HA2 GLY 47 2HA GLY 47 -9.017 7.539 1.821 368 HA3 GLY 47 3HA GLY 47 -8.101 6.044 1.673 369 H THR 48 H THR 48 -7.281 6.843 3.805 370 HA THR 48 HA THR 48 -5.393 9.030 3.708 371 HB THR 48 HB THR 48 -4.904 8.342 6.079 372 HG1 THR 48 HG1 THR 48 -6.908 6.856 6.702 373 HG21 THR 48 3HG2 THR 48 -6.566 10.060 5.598 374 HG22 THR 48 1HG2 THR 48 -7.081 9.075 6.968 375 HG23 THR 48 2HG2 THR 48 -7.801 8.823 5.378 376 H LYS 49 H LYS 49 -3.133 8.643 4.535 377 HA LYS 49 HA LYS 49 -1.804 6.728 2.947 378 HB2 LYS 49 2HB LYS 49 -0.724 8.804 3.713 379 HB3 LYS 49 3HB LYS 49 -0.784 8.226 5.373 380 HG2 LYS 49 2HG LYS 49 0.719 6.414 4.833 381 HG3 LYS 49 3HG LYS 49 0.723 6.896 3.136 382 HD2 LYS 49 2HD LYS 49 1.755 9.019 3.722 383 HD3 LYS 49 3HD LYS 49 1.713 8.584 5.433 384 HE2 LYS 49 2HE LYS 49 3.194 6.700 5.000 385 HE3 LYS 49 3HE LYS 49 3.203 7.084 3.280 386 HZ1 LYS 49 3HZ LYS 49 4.320 9.133 3.726 387 HZ2 LYS 49 1HZ LYS 49 5.178 7.886 4.491 388 HZ3 LYS 49 2HZ LYS 49 4.184 8.915 5.400 389 H THR 50 H THR 50 -2.805 6.770 6.327 390 HA THR 50 HA THR 50 -1.605 4.428 7.230 391 HB THR 50 HB THR 50 -4.381 5.341 8.010 392 HG1 THR 50 HG1 THR 50 -1.830 6.425 8.555 393 HG21 THR 50 3HG2 THR 50 -3.776 4.414 10.196 394 HG22 THR 50 1HG2 THR 50 -2.206 3.927 9.558 395 HG23 THR 50 2HG2 THR 50 -3.679 3.185 8.935 396 H GLU 51 H GLU 51 -4.667 4.898 5.510 397 HA GLU 51 HA GLU 51 -5.581 2.257 5.475 398 HB2 GLU 51 2HB GLU 51 -5.931 4.594 3.620 399 HB3 GLU 51 3HB GLU 51 -6.628 3.030 3.226 400 HG2 GLU 51 2HG GLU 51 -7.168 4.296 5.872 401 HG3 GLU 51 3HG GLU 51 -8.055 4.806 4.435 402 H LEU 52 H LEU 52 -3.599 3.996 3.102 403 HA LEU 52 HA LEU 52 -3.452 1.910 1.233 404 HB2 LEU 52 2HB LEU 52 -1.371 4.050 1.623 405 HB3 LEU 52 3HB LEU 52 -1.763 3.197 0.143 406 HG LEU 52 HG LEU 52 -3.461 5.254 1.552 407 HD11 LEU 52 1HD1 LEU 52 -1.621 6.178 0.277 408 HD12 LEU 52 2HD1 LEU 52 -3.160 6.521 -0.511 409 HD13 LEU 52 3HD1 LEU 52 -2.113 5.249 -1.138 410 HD21 LEU 52 3HD2 LEU 52 -4.880 3.475 0.645 411 HD22 LEU 52 1HD2 LEU 52 -4.108 3.667 -0.930 412 HD23 LEU 52 2HD2 LEU 52 -5.067 4.982 -0.252 413 H ILE 53 H ILE 53 -1.189 2.887 3.778 414 HA ILE 53 HA ILE 53 0.909 1.151 3.207 415 HB ILE 53 HB ILE 53 -0.006 2.147 5.911 416 HG12 ILE 53 2HG1 ILE 53 2.165 3.191 4.084 417 HG13 ILE 53 3HG1 ILE 53 0.557 3.897 4.220 418 HG21 ILE 53 1HG2 ILE 53 2.635 0.939 5.091 419 HG22 ILE 53 2HG2 ILE 53 1.445 0.220 6.177 420 HG23 ILE 53 3HG2 ILE 53 2.296 1.690 6.651 421 HD11 ILE 53 3HD1 ILE 53 0.983 4.369 6.585 422 HD12 ILE 53 1HD1 ILE 53 2.158 5.149 5.527 423 HD13 ILE 53 2HD1 ILE 53 2.602 3.692 6.417 424 H GLU 54 H GLU 54 -1.803 0.644 5.469 425 HA GLU 54 HA GLU 54 -0.828 -1.973 6.144 426 HB2 GLU 54 2HB GLU 54 -3.403 -0.582 6.875 427 HB3 GLU 54 3HB GLU 54 -2.843 -2.102 7.564 428 HG2 GLU 54 2HG GLU 54 -0.821 -0.931 8.383 429 HG3 GLU 54 3HG GLU 54 -1.503 0.584 7.795 430 H ARG 55 H ARG 55 -3.122 -0.677 3.894 431 HA ARG 55 HA ARG 55 -4.566 -3.038 3.352 432 HB2 ARG 55 2HB ARG 55 -5.268 -0.806 2.592 433 HB3 ARG 55 3HB ARG 55 -3.885 -0.737 1.512 434 HG2 ARG 55 2HG ARG 55 -4.797 -2.232 0.027 435 HG3 ARG 55 3HG ARG 55 -5.826 -2.981 1.251 436 HD2 ARG 55 2HD ARG 55 -6.182 -0.203 0.124 437 HD3 ARG 55 3HD ARG 55 -7.124 -1.624 -0.331 438 HE ARG 55 HE ARG 55 -7.755 -1.698 2.122 439 HH11 ARG 55 1HH1 ARG 55 -7.085 1.299 0.419 440 HH12 ARG 55 2HH1 ARG 55 -8.003 2.270 1.522 441 HH21 ARG 55 1HH2 ARG 55 -8.940 -0.443 3.558 442 HH22 ARG 55 2HH2 ARG 55 -9.064 1.277 3.336 443 H LEU 56 H LEU 56 -1.543 -1.729 2.102 444 HA LEU 56 HA LEU 56 -1.000 -3.761 0.227 445 HB2 LEU 56 2HB LEU 56 0.839 -1.985 1.829 446 HB3 LEU 56 3HB LEU 56 1.403 -3.079 0.579 447 HG LEU 56 HG LEU 56 -0.514 -0.787 0.139 448 HD11 LEU 56 1HD1 LEU 56 1.354 0.286 -1.006 449 HD12 LEU 56 2HD1 LEU 56 2.407 -1.055 -0.557 450 HD13 LEU 56 3HD1 LEU 56 1.731 -0.008 0.691 451 HD21 LEU 56 3HD2 LEU 56 -0.856 -2.648 -1.409 452 HD22 LEU 56 1HD2 LEU 56 0.858 -2.629 -1.817 453 HD23 LEU 56 2HD2 LEU 56 -0.162 -1.251 -2.231 454 H ARG 57 H ARG 57 -0.197 -3.410 3.661 455 HA ARG 57 HA ARG 57 1.334 -5.734 3.949 456 HB2 ARG 57 2HB ARG 57 -0.504 -4.608 6.063 457 HB3 ARG 57 3HB ARG 57 0.948 -5.565 6.316 458 HG2 ARG 57 2HG ARG 57 2.265 -3.699 5.331 459 HG3 ARG 57 3HG ARG 57 0.781 -2.746 5.288 460 HD2 ARG 57 2HD ARG 57 1.763 -2.086 7.285 461 HD3 ARG 57 3HD ARG 57 0.613 -3.318 7.801 462 HE ARG 57 HE ARG 57 3.334 -4.216 7.275 463 HH11 ARG 57 1HH1 ARG 57 0.904 -3.353 9.667 464 HH12 ARG 57 2HH1 ARG 57 1.844 -3.949 10.999 465 HH21 ARG 57 1HH2 ARG 57 4.522 -5.023 9.019 466 HH22 ARG 57 2HH2 ARG 57 3.892 -4.920 10.638 467 H ALA 58 H ALA 58 -2.134 -5.219 4.487 468 HA ALA 58 HA ALA 58 -2.774 -7.840 5.234 469 HB1 ALA 58 3HB ALA 58 -4.532 -5.811 3.867 470 HB2 ALA 58 1HB ALA 58 -4.238 -5.914 5.603 471 HB3 ALA 58 2HB ALA 58 -5.077 -7.224 4.772 472 H TYR 59 H TYR 59 -2.557 -6.329 2.060 473 HA TYR 59 HA TYR 59 -3.762 -8.459 0.624 474 HB2 TYR 59 2HB TYR 59 -3.519 -6.124 -0.228 475 HB3 TYR 59 3HB TYR 59 -1.790 -6.402 -0.394 476 HD1 TYR 59 HD2 TYR 59 -5.109 -7.523 -1.610 477 HD2 TYR 59 HD1 TYR 59 -0.915 -7.448 -2.319 478 HE1 TYR 59 HE2 TYR 59 -5.481 -8.415 -3.871 479 HE2 TYR 59 HE1 TYR 59 -1.277 -8.336 -4.582 480 HH TYR 59 HH TYR 59 -2.935 -9.608 -5.823 481 H GLN 60 H GLN 60 -0.398 -7.631 1.375 482 HA GLN 60 HA GLN 60 0.696 -9.842 -0.080 483 HB2 GLN 60 2HB GLN 60 1.927 -7.731 0.370 484 HB3 GLN 60 3HB GLN 60 1.960 -8.137 2.073 485 HG2 GLN 60 2HG GLN 60 3.114 -10.042 0.096 486 HG3 GLN 60 3HG GLN 60 4.014 -8.594 0.530 487 HE21 GLN 60 1HE2 GLN 60 3.083 -8.577 3.294 488 HE22 GLN 60 2HE2 GLN 60 3.914 -9.866 4.088 489 H ASP 61 H ASP 61 -0.386 -9.269 3.168 490 HA ASP 61 HA ASP 61 0.776 -11.409 4.528 491 HB2 ASP 61 2HB ASP 61 -0.418 -9.536 5.610 492 HB3 ASP 61 3HB ASP 61 -1.942 -10.147 4.981 493 H GLN 62 H GLN 62 -1.985 -11.280 2.404 494 HA GLN 62 HA GLN 62 -2.665 -14.063 3.001 495 HB2 GLN 62 2HB GLN 62 -4.692 -13.623 1.633 496 HB3 GLN 62 3HB GLN 62 -4.539 -12.550 3.017 497 HG2 GLN 62 2HG GLN 62 -3.554 -10.849 1.453 498 HG3 GLN 62 3HG GLN 62 -4.028 -11.913 0.126 499 HE21 GLN 62 1HE2 GLN 62 -5.127 -9.787 2.637 500 HE22 GLN 62 2HE2 GLN 62 -6.764 -9.645 2.083 501 H ILE 63 H ILE 63 -0.446 -12.713 1.169 502 HA ILE 63 HA ILE 63 -0.940 -14.324 -1.230 503 HB ILE 63 HB ILE 63 1.175 -12.248 -0.640 504 HG12 ILE 63 2HG1 ILE 63 -1.096 -12.306 -2.640 505 HG13 ILE 63 3HG1 ILE 63 -1.073 -11.378 -1.143 506 HG21 ILE 63 1HG2 ILE 63 2.128 -14.051 -2.001 507 HG22 ILE 63 2HG2 ILE 63 1.962 -12.560 -2.929 508 HG23 ILE 63 3HG2 ILE 63 0.808 -13.873 -3.157 509 HD11 ILE 63 3HD1 ILE 63 0.784 -10.053 -1.978 510 HD12 ILE 63 1HD1 ILE 63 -0.582 -9.989 -3.090 511 HD13 ILE 63 2HD1 ILE 63 0.813 -11.003 -3.464 512 H SER 64 H SER 64 1.796 -13.711 0.993 513 HA SER 64 HA SER 64 2.349 -16.568 1.035 514 HB2 SER 64 2HB SER 64 4.440 -14.544 0.188 515 HB3 SER 64 3HB SER 64 4.713 -16.269 0.439 516 HG SER 64 HG SER 64 2.659 -15.965 -1.237 517 HA PRO 65 HA PRO 65 3.238 -14.844 5.151 518 HB2 PRO 65 2HB PRO 65 1.813 -16.976 6.349 519 HB3 PRO 65 3HB PRO 65 1.248 -15.322 6.116 520 HG2 PRO 65 2HG PRO 65 0.212 -17.600 4.871 521 HG3 PRO 65 3HG PRO 65 -0.072 -15.923 4.374 522 HD2 PRO 65 2HD PRO 65 1.842 -17.934 3.271 523 HD3 PRO 65 3HD PRO 65 0.918 -16.668 2.430 524 H VAL 66 H VAL 66 4.638 -17.006 3.422 525 HA VAL 66 HA VAL 66 5.959 -18.407 5.639 526 HB VAL 66 HB VAL 66 6.215 -20.385 4.091 527 HG11 VAL 66 1HG1 VAL 66 3.417 -19.614 4.917 528 HG12 VAL 66 2HG1 VAL 66 4.620 -20.427 5.918 529 HG13 VAL 66 3HG1 VAL 66 3.950 -21.246 4.508 530 HG21 VAL 66 3HG2 VAL 66 4.078 -18.933 2.528 531 HG22 VAL 66 1HG2 VAL 66 4.601 -20.597 2.255 532 HG23 VAL 66 2HG2 VAL 66 5.724 -19.265 1.987 533 HA PRO 67 HA PRO 67 9.695 -17.058 3.727 534 HB2 PRO 67 2HB PRO 67 11.190 -19.309 4.735 535 HB3 PRO 67 3HB PRO 67 11.127 -17.662 5.361 536 HG2 PRO 67 2HG PRO 67 10.099 -19.836 6.671 537 HG3 PRO 67 3HG PRO 67 9.520 -18.177 6.901 538 HD2 PRO 67 2HD PRO 67 8.354 -20.384 5.248 539 HD3 PRO 67 3HD PRO 67 7.533 -19.179 6.265 540 H GLY 68 H GLY 68 8.449 -20.171 2.949 541 HA2 GLY 68 2HA GLY 68 10.464 -20.504 0.825 542 HA3 GLY 68 3HA GLY 68 9.441 -21.787 1.459 543 H ALA 69 H ALA 69 7.033 -21.300 1.210 544 HA ALA 69 HA ALA 69 5.191 -20.899 -0.039 545 HB1 ALA 69 3HB ALA 69 5.120 -18.998 -1.560 546 HB2 ALA 69 1HB ALA 69 6.874 -18.848 -1.470 547 HB3 ALA 69 2HB ALA 69 5.889 -18.559 -0.035 548 HA PRO 70 HA PRO 70 5.509 -23.429 -3.706 549 HB2 PRO 70 2HB PRO 70 3.357 -22.432 -5.109 550 HB3 PRO 70 3HB PRO 70 3.228 -23.634 -3.823 551 HG2 PRO 70 2HG PRO 70 2.778 -20.681 -3.705 552 HG3 PRO 70 3HG PRO 70 1.863 -21.988 -2.931 553 HD2 PRO 70 2HD PRO 70 3.632 -20.495 -1.566 554 HD3 PRO 70 3HD PRO 70 3.396 -22.219 -1.217 555 H LYS 71 H LYS 71 7.033 -23.060 -5.197 556 HA LYS 71 HA LYS 71 7.710 -20.366 -5.892 557 HB2 LYS 71 2HB LYS 71 9.343 -22.278 -5.504 558 HB3 LYS 71 3HB LYS 71 8.900 -22.853 -7.105 559 HG2 LYS 71 2HG LYS 71 10.946 -21.554 -7.190 560 HG3 LYS 71 3HG LYS 71 9.654 -20.744 -8.077 561 HD2 LYS 71 2HD LYS 71 9.272 -19.231 -6.230 562 HD3 LYS 71 3HD LYS 71 10.451 -20.091 -5.239 563 HE2 LYS 71 2HE LYS 71 11.031 -18.574 -7.782 564 HE3 LYS 71 3HE LYS 71 11.391 -18.029 -6.144 565 HZ1 LYS 71 3HZ LYS 71 13.386 -18.900 -6.910 566 HZ2 LYS 71 1HZ LYS 71 12.645 -20.219 -7.679 567 HZ3 LYS 71 2HZ LYS 71 12.746 -20.169 -5.985 568 H ALA 72 H ALA 72 5.722 -19.799 -6.926 569 HA ALA 72 HA ALA 72 5.770 -20.521 -9.782 570 HB1 ALA 72 3HB ALA 72 3.347 -19.827 -8.111 571 HB2 ALA 72 1HB ALA 72 3.755 -21.425 -8.736 572 HB3 ALA 72 2HB ALA 72 3.346 -20.120 -9.850 573 HA PRO 73 HA PRO 73 6.966 -16.198 -9.958 574 HB2 PRO 73 2HB PRO 73 6.521 -16.675 -12.857 575 HB3 PRO 73 3HB PRO 73 7.945 -16.041 -12.023 576 HG2 PRO 73 2HG PRO 73 7.927 -18.520 -13.011 577 HG3 PRO 73 3HG PRO 73 8.723 -18.155 -11.468 578 HD2 PRO 73 2HD PRO 73 6.075 -19.451 -11.979 579 HD3 PRO 73 3HD PRO 73 7.303 -19.837 -10.754 580 H ALA 74 H ALA 74 5.683 -14.491 -9.726 581 HA ALA 74 HA ALA 74 2.975 -14.626 -10.869 582 HB1 ALA 74 3HB ALA 74 3.096 -14.564 -8.413 583 HB2 ALA 74 1HB ALA 74 2.273 -13.154 -9.079 584 HB3 ALA 74 2HB ALA 74 3.936 -13.016 -8.508 585 H ALA 75 H ALA 75 2.077 -12.810 -11.845 586 HA ALA 75 HA ALA 75 3.907 -11.116 -13.244 587 HB1 ALA 75 3HB ALA 75 1.817 -11.890 -14.263 588 HB2 ALA 75 1HB ALA 75 1.917 -10.128 -14.244 589 HB3 ALA 75 2HB ALA 75 0.900 -10.966 -13.074 Start of MODEL 19 1 H1 MET 1 1H MET 1 19.969 -25.275 -40.594 2 H2 MET 1 2H MET 1 19.897 -26.944 -40.868 3 H3 MET 1 3H MET 1 21.386 -26.205 -40.514 4 HA MET 1 HA MET 1 19.057 -26.462 -38.697 5 HB2 MET 1 2HB MET 1 21.825 -27.687 -38.564 6 HB3 MET 1 3HB MET 1 20.577 -27.854 -37.341 7 HG2 MET 1 2HG MET 1 20.546 -29.855 -38.561 8 HG3 MET 1 3HG MET 1 19.149 -28.937 -39.117 9 HE1 MET 1 3HE MET 1 22.961 -28.455 -40.048 10 HE2 MET 1 1HE MET 1 23.066 -29.409 -41.528 11 HE3 MET 1 2HE MET 1 22.769 -30.207 -39.984 12 H GLY 2 H GLY 2 19.381 -25.557 -36.583 13 HA2 GLY 2 2HA GLY 2 21.442 -24.254 -35.488 14 HA3 GLY 2 3HA GLY 2 20.958 -23.115 -36.737 15 H HIS 3 H HIS 3 20.530 -21.627 -35.023 16 HA HIS 3 HA HIS 3 17.972 -22.141 -33.669 17 HB2 HIS 3 2HB HIS 3 18.828 -20.856 -31.718 18 HB3 HIS 3 3HB HIS 3 19.699 -22.359 -31.988 19 HD1 HIS 3 HD1 HIS 3 22.170 -22.203 -32.656 20 HD2 HIS 3 HD2 HIS 3 20.329 -18.508 -32.145 21 HE1 HIS 3 HE1 HIS 3 24.036 -20.512 -32.608 22 HE2 HIS 3 HE2 HIS 3 22.907 -18.324 -32.076 23 H HIS 4 H HIS 4 17.296 -19.877 -32.611 24 HA HIS 4 HA HIS 4 17.122 -18.063 -34.901 25 HB2 HIS 4 2HB HIS 4 15.553 -18.066 -32.311 26 HB3 HIS 4 3HB HIS 4 15.237 -17.049 -33.714 27 HD1 HIS 4 HD1 HIS 4 14.672 -20.438 -32.351 28 HD2 HIS 4 HD2 HIS 4 14.148 -18.458 -35.966 29 HE1 HIS 4 HE1 HIS 4 13.200 -21.931 -33.727 30 HE2 HIS 4 HE2 HIS 4 13.054 -20.809 -35.972 31 H HIS 5 H HIS 5 17.255 -15.730 -34.497 32 HA HIS 5 HA HIS 5 19.677 -15.229 -32.992 33 HB2 HIS 5 2HB HIS 5 18.026 -13.440 -34.783 34 HB3 HIS 5 3HB HIS 5 19.529 -12.950 -34.011 35 HD1 HIS 5 HD1 HIS 5 21.590 -13.331 -35.342 36 HD2 HIS 5 HD2 HIS 5 18.449 -15.750 -36.596 37 HE1 HIS 5 HE1 HIS 5 22.439 -14.548 -37.372 38 HE2 HIS 5 HE2 HIS 5 20.595 -16.153 -37.988 39 H HIS 6 H HIS 6 16.635 -13.392 -33.221 40 HA HIS 6 HA HIS 6 15.475 -12.158 -31.711 41 HB2 HIS 6 2HB HIS 6 15.262 -14.491 -30.727 42 HB3 HIS 6 3HB HIS 6 16.559 -14.057 -29.622 43 HD1 HIS 6 HD1 HIS 6 13.024 -13.030 -30.506 44 HD2 HIS 6 HD2 HIS 6 15.750 -12.715 -27.380 45 HE1 HIS 6 HE1 HIS 6 11.740 -12.037 -28.583 46 HE2 HIS 6 HE2 HIS 6 13.376 -11.975 -26.658 47 H HIS 7 H HIS 7 17.949 -11.123 -32.383 48 HA HIS 7 HA HIS 7 18.879 -9.976 -29.828 49 HB2 HIS 7 2HB HIS 7 20.408 -10.683 -32.316 50 HB3 HIS 7 3HB HIS 7 21.016 -9.468 -31.194 51 HD1 HIS 7 HD1 HIS 7 21.069 -10.447 -28.566 52 HD2 HIS 7 HD2 HIS 7 21.282 -13.166 -31.711 53 HE1 HIS 7 HE1 HIS 7 22.050 -12.546 -27.589 54 HE2 HIS 7 HE2 HIS 7 21.939 -14.241 -29.450 55 H HIS 8 H HIS 8 16.812 -9.185 -31.991 56 HA HIS 8 HA HIS 8 17.785 -6.618 -32.856 57 HB2 HIS 8 2HB HIS 8 16.090 -7.863 -34.158 58 HB3 HIS 8 3HB HIS 8 14.959 -7.706 -32.820 59 HD1 HIS 8 HD1 HIS 8 13.569 -5.608 -32.735 60 HD2 HIS 8 HD2 HIS 8 16.730 -5.337 -35.427 61 HE1 HIS 8 HE1 HIS 8 13.198 -3.476 -34.005 62 HE2 HIS 8 HE2 HIS 8 15.026 -3.410 -35.734 63 H SER 9 H SER 9 18.267 -5.239 -31.236 64 HA SER 9 HA SER 9 16.908 -5.212 -28.748 65 HB2 SER 9 2HB SER 9 19.291 -4.467 -29.143 66 HB3 SER 9 3HB SER 9 18.640 -3.006 -29.885 67 HG SER 9 HG SER 9 19.135 -2.727 -27.649 68 H HIS 10 H HIS 10 15.192 -4.131 -28.080 69 HA HIS 10 HA HIS 10 14.163 -1.907 -29.681 70 HB2 HIS 10 2HB HIS 10 11.892 -2.813 -29.688 71 HB3 HIS 10 3HB HIS 10 12.996 -3.896 -30.524 72 HD1 HIS 10 HD1 HIS 10 10.245 -4.041 -28.358 73 HD2 HIS 10 HD2 HIS 10 13.890 -6.047 -28.498 74 HE1 HIS 10 HE1 HIS 10 9.908 -6.158 -27.043 75 HE2 HIS 10 HE2 HIS 10 12.093 -7.403 -27.211 76 H MET 11 H MET 11 15.458 -2.430 -27.066 77 HA MET 11 HA MET 11 15.539 -1.516 -25.034 78 HB2 MET 11 2HB MET 11 14.604 0.526 -24.631 79 HB3 MET 11 3HB MET 11 14.477 0.462 -26.378 80 HG2 MET 11 2HG MET 11 12.128 -0.209 -26.172 81 HG3 MET 11 3HG MET 11 12.267 -0.110 -24.417 82 HE1 MET 11 3HE MET 11 10.057 3.009 -25.377 83 HE2 MET 11 1HE MET 11 10.139 1.535 -24.410 84 HE3 MET 11 2HE MET 11 10.062 1.435 -26.169 85 H SER 12 H SER 12 15.009 -2.095 -23.046 86 HA SER 12 HA SER 12 12.353 -3.225 -22.538 87 HB2 SER 12 2HB SER 12 14.970 -4.555 -21.766 88 HB3 SER 12 3HB SER 12 13.357 -5.132 -21.350 89 HG SER 12 HG SER 12 13.007 -5.155 -23.726 90 H THR 13 H THR 13 11.864 -3.345 -20.201 91 HA THR 13 HA THR 13 12.955 -1.048 -18.825 92 HB THR 13 HB THR 13 11.298 -1.771 -17.013 93 HG1 THR 13 HG1 THR 13 10.638 -3.768 -17.354 94 HG21 THR 13 3HG2 THR 13 9.395 -0.875 -18.246 95 HG22 THR 13 1HG2 THR 13 10.239 -1.149 -19.769 96 HG23 THR 13 2HG2 THR 13 10.862 0.032 -18.617 97 HA PRO 14 HA PRO 14 15.859 -3.093 -16.197 98 HB2 PRO 14 2HB PRO 14 15.452 -1.759 -13.841 99 HB3 PRO 14 3HB PRO 14 16.370 -1.101 -15.200 100 HG2 PRO 14 2HG PRO 14 13.530 -0.584 -14.406 101 HG3 PRO 14 3HG PRO 14 14.759 0.560 -14.978 102 HD2 PRO 14 2HD PRO 14 12.823 -0.382 -16.596 103 HD3 PRO 14 3HD PRO 14 14.457 -0.032 -17.194 104 H LEU 15 H LEU 15 15.593 -5.091 -15.466 105 HA LEU 15 HA LEU 15 13.172 -5.749 -13.951 106 HB2 LEU 15 2HB LEU 15 13.797 -7.110 -15.936 107 HB3 LEU 15 3HB LEU 15 15.275 -7.579 -15.117 108 HG LEU 15 HG LEU 15 13.922 -8.676 -13.359 109 HD11 LEU 15 1HD1 LEU 15 11.895 -7.327 -13.574 110 HD12 LEU 15 2HD1 LEU 15 11.539 -9.047 -13.731 111 HD13 LEU 15 3HD1 LEU 15 11.595 -8.022 -15.166 112 HD21 LEU 15 3HD2 LEU 15 13.242 -10.581 -14.706 113 HD22 LEU 15 1HD2 LEU 15 14.787 -9.941 -15.267 114 HD23 LEU 15 2HD2 LEU 15 13.309 -9.590 -16.163 115 H THR 16 H THR 16 13.510 -5.186 -11.872 116 HA THR 16 HA THR 16 16.032 -5.453 -10.570 117 HB THR 16 HB THR 16 13.314 -5.006 -9.319 118 HG1 THR 16 HG1 THR 16 15.273 -3.158 -10.282 119 HG21 THR 16 3HG2 THR 16 14.609 -3.944 -7.510 120 HG22 THR 16 1HG2 THR 16 16.103 -4.412 -8.318 121 HG23 THR 16 2HG2 THR 16 15.015 -5.651 -7.690 122 H GLY 17 H GLY 17 13.114 -7.400 -10.784 123 HA2 GLY 17 2HA GLY 17 14.335 -9.813 -10.267 124 HA3 GLY 17 3HA GLY 17 13.845 -9.205 -8.693 125 H LYS 18 H LYS 18 11.714 -9.222 -8.114 126 HA LYS 18 HA LYS 18 9.669 -9.986 -10.007 127 HB2 LYS 18 2HB LYS 18 9.065 -12.075 -8.902 128 HB3 LYS 18 3HB LYS 18 10.722 -12.163 -9.481 129 HG2 LYS 18 2HG LYS 18 11.571 -11.789 -7.254 130 HG3 LYS 18 3HG LYS 18 9.935 -11.550 -6.639 131 HD2 LYS 18 2HD LYS 18 10.636 -13.772 -6.080 132 HD3 LYS 18 3HD LYS 18 9.405 -13.878 -7.338 133 HE2 LYS 18 2HE LYS 18 11.179 -14.137 -9.023 134 HE3 LYS 18 3HE LYS 18 12.385 -14.082 -7.737 135 HZ1 LYS 18 3HZ LYS 18 11.305 -16.065 -6.764 136 HZ2 LYS 18 1HZ LYS 18 11.947 -16.352 -8.311 137 HZ3 LYS 18 2HZ LYS 18 10.277 -16.141 -8.108 138 HA PRO 19 HA PRO 19 7.345 -8.029 -6.724 139 HB2 PRO 19 2HB PRO 19 4.873 -8.452 -7.983 140 HB3 PRO 19 3HB PRO 19 5.921 -7.049 -8.181 141 HG2 PRO 19 2HG PRO 19 5.296 -8.981 -10.138 142 HG3 PRO 19 3HG PRO 19 6.523 -7.711 -10.257 143 HD2 PRO 19 2HD PRO 19 6.834 -10.597 -9.609 144 HD3 PRO 19 3HD PRO 19 7.970 -9.481 -10.396 145 H GLY 20 H GLY 20 7.354 -9.312 -4.933 146 HA2 GLY 20 2HA GLY 20 5.106 -11.162 -4.667 147 HA3 GLY 20 3HA GLY 20 6.711 -11.826 -4.407 148 H ALA 21 H ALA 21 7.862 -9.565 -3.170 149 HA ALA 21 HA ALA 21 6.441 -9.679 -0.587 150 HB1 ALA 21 3HB ALA 21 9.390 -9.307 -1.108 151 HB2 ALA 21 1HB ALA 21 8.619 -10.803 -0.583 152 HB3 ALA 21 2HB ALA 21 8.616 -9.391 0.474 153 H LEU 22 H LEU 22 6.310 -7.784 0.655 154 HA LEU 22 HA LEU 22 6.439 -5.325 -0.892 155 HB2 LEU 22 2HB LEU 22 5.425 -5.887 1.896 156 HB3 LEU 22 3HB LEU 22 5.381 -4.312 1.130 157 HG LEU 22 HG LEU 22 3.885 -6.772 0.219 158 HD11 LEU 22 1HD1 LEU 22 2.949 -4.188 1.456 159 HD12 LEU 22 2HD1 LEU 22 2.980 -5.767 2.241 160 HD13 LEU 22 3HD1 LEU 22 1.909 -5.487 0.867 161 HD21 LEU 22 3HD2 LEU 22 2.849 -5.297 -1.425 162 HD22 LEU 22 1HD2 LEU 22 4.592 -5.385 -1.673 163 HD23 LEU 22 2HD2 LEU 22 3.883 -3.967 -0.898 164 HA PRO 23 HA PRO 23 10.222 -3.801 0.903 165 HB2 PRO 23 2HB PRO 23 9.526 -1.140 1.179 166 HB3 PRO 23 3HB PRO 23 10.113 -1.871 -0.318 167 HG2 PRO 23 2HG PRO 23 7.318 -1.258 0.527 168 HG3 PRO 23 3HG PRO 23 8.067 -1.100 -1.072 169 HD2 PRO 23 2HD PRO 23 6.431 -3.152 -0.450 170 HD3 PRO 23 3HD PRO 23 7.811 -3.351 -1.549 171 H ALA 24 H ALA 24 11.048 -3.198 2.916 172 HA ALA 24 HA ALA 24 9.305 -3.792 5.121 173 HB1 ALA 24 3HB ALA 24 12.184 -2.886 5.163 174 HB2 ALA 24 1HB ALA 24 11.648 -4.564 5.050 175 HB3 ALA 24 2HB ALA 24 11.296 -3.620 6.498 176 H ASN 25 H ASN 25 10.587 -0.958 3.617 177 HA ASN 25 HA ASN 25 9.670 0.732 5.827 178 HB2 ASN 25 2HB ASN 25 11.353 1.389 3.395 179 HB3 ASN 25 3HB ASN 25 10.850 2.563 4.603 180 HD21 ASN 25 1HD2 ASN 25 11.751 2.511 6.646 181 HD22 ASN 25 2HD2 ASN 25 13.209 1.633 6.984 182 H LEU 26 H LEU 26 7.428 0.277 5.304 183 HA LEU 26 HA LEU 26 6.400 1.236 2.769 184 HB2 LEU 26 2HB LEU 26 5.091 0.035 5.200 185 HB3 LEU 26 3HB LEU 26 4.168 0.644 3.841 186 HG LEU 26 HG LEU 26 6.202 -1.583 3.693 187 HD11 LEU 26 1HD1 LEU 26 4.242 -3.026 3.350 188 HD12 LEU 26 2HD1 LEU 26 3.187 -1.652 3.686 189 HD13 LEU 26 3HD1 LEU 26 4.252 -2.278 4.947 190 HD21 LEU 26 3HD2 LEU 26 4.286 -0.475 1.640 191 HD22 LEU 26 1HD2 LEU 26 5.254 -1.936 1.445 192 HD23 LEU 26 2HD2 LEU 26 6.046 -0.369 1.604 193 H ASP 27 H ASP 27 6.383 2.183 6.155 194 HA ASP 27 HA ASP 27 4.629 4.414 5.774 195 HB2 ASP 27 2HB ASP 27 4.826 3.338 7.952 196 HB3 ASP 27 3HB ASP 27 6.536 3.750 8.028 197 H ASP 28 H ASP 28 7.979 3.851 5.318 198 HA ASP 28 HA ASP 28 8.786 6.609 5.392 199 HB2 ASP 28 2HB ASP 28 10.155 4.139 4.312 200 HB3 ASP 28 3HB ASP 28 10.887 5.739 4.312 201 H MET 29 H MET 29 7.243 4.561 3.163 202 HA MET 29 HA MET 29 8.010 5.960 0.770 203 HB2 MET 29 2HB MET 29 5.751 4.015 1.307 204 HB3 MET 29 3HB MET 29 6.197 4.618 -0.284 205 HG2 MET 29 2HG MET 29 8.186 3.203 1.444 206 HG3 MET 29 3HG MET 29 7.036 2.305 0.456 207 HE1 MET 29 3HE MET 29 8.090 2.964 -3.142 208 HE2 MET 29 1HE MET 29 6.701 3.544 -2.220 209 HE3 MET 29 2HE MET 29 7.259 1.883 -2.022 210 H LYS 30 H LYS 30 6.755 7.418 -0.404 211 HA LYS 30 HA LYS 30 5.038 9.094 1.178 212 HB2 LYS 30 2HB LYS 30 5.782 9.241 -1.752 213 HB3 LYS 30 3HB LYS 30 4.910 10.484 -0.867 214 HG2 LYS 30 2HG LYS 30 6.821 10.926 0.488 215 HG3 LYS 30 3HG LYS 30 7.677 9.535 -0.188 216 HD2 LYS 30 2HD LYS 30 8.555 11.251 -1.425 217 HD3 LYS 30 3HD LYS 30 7.240 10.724 -2.458 218 HE2 LYS 30 2HE LYS 30 7.265 13.138 -2.337 219 HE3 LYS 30 3HE LYS 30 5.822 12.509 -1.542 220 HZ1 LYS 30 3HZ LYS 30 6.633 13.044 0.544 221 HZ2 LYS 30 1HZ LYS 30 7.172 14.347 -0.392 222 HZ3 LYS 30 2HZ LYS 30 8.249 13.106 0.033 223 H VAL 31 H VAL 31 2.906 9.847 0.243 224 HA VAL 31 HA VAL 31 1.138 7.661 0.064 225 HB VAL 31 HB VAL 31 0.626 10.536 -0.745 226 HG11 VAL 31 1HG1 VAL 31 -1.067 9.000 -1.614 227 HG12 VAL 31 2HG1 VAL 31 -1.729 10.034 -0.348 228 HG13 VAL 31 3HG1 VAL 31 -1.321 8.357 0.010 229 HG21 VAL 31 3HG2 VAL 31 1.431 10.360 1.553 230 HG22 VAL 31 1HG2 VAL 31 0.194 9.154 1.904 231 HG23 VAL 31 2HG2 VAL 31 -0.274 10.808 1.516 232 H ALA 32 H ALA 32 2.563 9.746 -2.392 233 HA ALA 32 HA ALA 32 1.118 8.730 -4.603 234 HB1 ALA 32 3HB ALA 32 2.290 10.877 -4.663 235 HB2 ALA 32 1HB ALA 32 2.823 9.819 -5.969 236 HB3 ALA 32 2HB ALA 32 3.836 10.036 -4.542 237 H GLU 33 H GLU 33 3.810 7.556 -2.799 238 HA GLU 33 HA GLU 33 4.776 5.743 -4.815 239 HB2 GLU 33 2HB GLU 33 5.309 5.811 -1.835 240 HB3 GLU 33 3HB GLU 33 6.194 4.854 -3.014 241 HG2 GLU 33 2HG GLU 33 6.074 7.857 -2.959 242 HG3 GLU 33 3HG GLU 33 7.400 6.874 -2.336 243 H LEU 34 H LEU 34 2.855 5.540 -1.858 244 HA LEU 34 HA LEU 34 2.454 2.776 -1.813 245 HB2 LEU 34 2HB LEU 34 0.590 4.959 -0.867 246 HB3 LEU 34 3HB LEU 34 0.481 3.268 -0.419 247 HG LEU 34 HG LEU 34 2.802 5.082 0.243 248 HD11 LEU 34 1HD1 LEU 34 0.557 4.074 1.985 249 HD12 LEU 34 2HD1 LEU 34 0.778 5.734 1.433 250 HD13 LEU 34 3HD1 LEU 34 1.952 5.007 2.529 251 HD21 LEU 34 3HD2 LEU 34 3.490 3.258 1.727 252 HD22 LEU 34 1HD2 LEU 34 3.456 2.747 0.037 253 HD23 LEU 34 2HD2 LEU 34 2.154 2.273 1.128 254 H LYS 35 H LYS 35 0.597 5.350 -3.377 255 HA LYS 35 HA LYS 35 -1.533 3.820 -4.319 256 HB2 LYS 35 2HB LYS 35 -0.254 6.290 -5.490 257 HB3 LYS 35 3HB LYS 35 -1.753 5.591 -6.088 258 HG2 LYS 35 2HG LYS 35 -2.724 5.906 -3.819 259 HG3 LYS 35 3HG LYS 35 -1.249 6.761 -3.361 260 HD2 LYS 35 2HD LYS 35 -1.643 8.381 -5.169 261 HD3 LYS 35 3HD LYS 35 -3.134 7.536 -5.588 262 HE2 LYS 35 2HE LYS 35 -4.010 8.012 -3.338 263 HE3 LYS 35 3HE LYS 35 -2.529 8.894 -2.965 264 HZ1 LYS 35 3HZ LYS 35 -4.582 9.595 -4.991 265 HZ2 LYS 35 1HZ LYS 35 -3.069 10.358 -4.892 266 HZ3 LYS 35 2HZ LYS 35 -4.162 10.471 -3.599 267 H GLN 36 H GLN 36 1.706 4.241 -5.608 268 HA GLN 36 HA GLN 36 1.255 3.245 -8.192 269 HB2 GLN 36 2HB GLN 36 3.732 3.216 -6.472 270 HB3 GLN 36 3HB GLN 36 3.716 2.671 -8.143 271 HG2 GLN 36 2HG GLN 36 2.931 5.429 -7.232 272 HG3 GLN 36 3HG GLN 36 4.519 4.990 -7.858 273 HE21 GLN 36 1HE2 GLN 36 3.485 3.168 -9.858 274 HE22 GLN 36 2HE2 GLN 36 2.767 4.143 -11.094 275 H GLU 37 H GLU 37 2.383 1.526 -5.265 276 HA GLU 37 HA GLU 37 2.345 -0.995 -6.596 277 HB2 GLU 37 2HB GLU 37 2.546 -0.268 -3.681 278 HB3 GLU 37 3HB GLU 37 2.579 -1.930 -4.258 279 HG2 GLU 37 2HG GLU 37 4.492 -1.120 -5.782 280 HG3 GLU 37 3HG GLU 37 4.576 0.250 -4.676 281 H LEU 38 H LEU 38 -0.010 0.822 -4.773 282 HA LEU 38 HA LEU 38 -1.871 -1.241 -4.330 283 HB2 LEU 38 2HB LEU 38 -2.238 1.723 -4.749 284 HB3 LEU 38 3HB LEU 38 -3.573 0.649 -4.378 285 HG LEU 38 HG LEU 38 -1.162 0.975 -2.595 286 HD11 LEU 38 1HD1 LEU 38 -2.599 2.396 -1.209 287 HD12 LEU 38 2HD1 LEU 38 -3.853 2.322 -2.446 288 HD13 LEU 38 3HD1 LEU 38 -2.313 3.103 -2.799 289 HD21 LEU 38 3HD2 LEU 38 -2.634 -0.044 -0.913 290 HD22 LEU 38 1HD2 LEU 38 -2.377 -1.116 -2.288 291 HD23 LEU 38 2HD2 LEU 38 -3.895 -0.233 -2.133 292 H LYS 39 H LYS 39 -1.710 1.129 -7.003 293 HA LYS 39 HA LYS 39 -3.924 0.039 -8.372 294 HB2 LYS 39 2HB LYS 39 -3.249 1.450 -10.251 295 HB3 LYS 39 3HB LYS 39 -3.203 2.338 -8.738 296 HG2 LYS 39 2HG LYS 39 -0.749 1.996 -8.670 297 HG3 LYS 39 3HG LYS 39 -0.849 1.239 -10.260 298 HD2 LYS 39 2HD LYS 39 -0.211 3.558 -10.509 299 HD3 LYS 39 3HD LYS 39 -1.834 3.323 -11.152 300 HE2 LYS 39 2HE LYS 39 -2.742 4.146 -8.981 301 HE3 LYS 39 3HE LYS 39 -1.091 4.518 -8.487 302 HZ1 LYS 39 3HZ LYS 39 -2.083 6.495 -9.321 303 HZ2 LYS 39 1HZ LYS 39 -2.605 5.720 -10.739 304 HZ3 LYS 39 2HZ LYS 39 -0.949 5.978 -10.475 305 H LEU 40 H LEU 40 -0.550 -0.805 -8.363 306 HA LEU 40 HA LEU 40 -0.697 -2.324 -10.807 307 HB2 LEU 40 2HB LEU 40 1.418 -2.182 -8.660 308 HB3 LEU 40 3HB LEU 40 1.576 -3.130 -10.126 309 HG LEU 40 HG LEU 40 1.292 -0.126 -10.002 310 HD11 LEU 40 1HD1 LEU 40 3.614 -0.091 -10.739 311 HD12 LEU 40 2HD1 LEU 40 3.671 -1.852 -10.670 312 HD13 LEU 40 3HD1 LEU 40 3.455 -0.919 -9.190 313 HD21 LEU 40 3HD2 LEU 40 1.798 -1.938 -12.360 314 HD22 LEU 40 1HD2 LEU 40 1.748 -0.175 -12.389 315 HD23 LEU 40 2HD2 LEU 40 0.287 -1.092 -12.021 316 H ARG 41 H ARG 41 -1.503 -2.897 -7.540 317 HA ARG 41 HA ARG 41 -1.446 -5.808 -8.005 318 HB2 ARG 41 2HB ARG 41 -1.474 -4.327 -5.368 319 HB3 ARG 41 3HB ARG 41 -1.446 -6.073 -5.562 320 HG2 ARG 41 2HG ARG 41 0.740 -5.862 -6.709 321 HG3 ARG 41 3HG ARG 41 0.710 -4.133 -6.366 322 HD2 ARG 41 2HD ARG 41 0.421 -4.805 -3.918 323 HD3 ARG 41 3HD ARG 41 0.886 -6.425 -4.430 324 HE ARG 41 HE ARG 41 2.588 -4.036 -4.446 325 HH11 ARG 41 1HH1 ARG 41 2.250 -7.498 -4.930 326 HH12 ARG 41 2HH1 ARG 41 3.956 -7.790 -4.825 327 HH21 ARG 41 1HH2 ARG 41 4.810 -4.412 -4.300 328 HH22 ARG 41 2HH2 ARG 41 5.424 -6.036 -4.496 329 H SER 42 H SER 42 -3.508 -3.706 -8.705 330 HA SER 42 HA SER 42 -5.754 -3.748 -9.031 331 HB2 SER 42 2HB SER 42 -5.497 -6.172 -9.307 332 HB3 SER 42 3HB SER 42 -5.618 -6.398 -7.564 333 HG SER 42 HG SER 42 -7.756 -5.419 -7.758 334 H LEU 43 H LEU 43 -4.431 -2.736 -6.511 335 HA LEU 43 HA LEU 43 -6.668 -2.876 -4.619 336 HB2 LEU 43 2HB LEU 43 -3.814 -1.945 -4.369 337 HB3 LEU 43 3HB LEU 43 -5.004 -1.705 -3.104 338 HG LEU 43 HG LEU 43 -4.410 -4.452 -4.163 339 HD11 LEU 43 1HD1 LEU 43 -2.981 -3.017 -1.929 340 HD12 LEU 43 2HD1 LEU 43 -2.274 -3.496 -3.473 341 HD13 LEU 43 3HD1 LEU 43 -2.815 -4.726 -2.329 342 HD21 LEU 43 3HD2 LEU 43 -5.460 -3.393 -1.543 343 HD22 LEU 43 1HD2 LEU 43 -5.193 -5.096 -1.927 344 HD23 LEU 43 2HD2 LEU 43 -6.412 -4.175 -2.809 345 HA PRO 44 HA PRO 44 -8.020 1.278 -5.592 346 HB2 PRO 44 2HB PRO 44 -8.724 1.459 -2.727 347 HB3 PRO 44 3HB PRO 44 -9.758 1.625 -4.149 348 HG2 PRO 44 2HG PRO 44 -9.890 -0.541 -2.588 349 HG3 PRO 44 3HG PRO 44 -10.075 -0.663 -4.347 350 HD2 PRO 44 2HD PRO 44 -7.691 -1.290 -2.642 351 HD3 PRO 44 3HD PRO 44 -8.341 -2.177 -4.038 352 H VAL 45 H VAL 45 -7.173 3.315 -5.435 353 HA VAL 45 HA VAL 45 -4.720 3.519 -3.841 354 HB VAL 45 HB VAL 45 -4.093 5.359 -5.365 355 HG11 VAL 45 1HG1 VAL 45 -4.912 2.819 -6.777 356 HG12 VAL 45 2HG1 VAL 45 -3.412 3.073 -5.883 357 HG13 VAL 45 3HG1 VAL 45 -3.726 3.987 -7.358 358 HG21 VAL 45 3HG2 VAL 45 -5.432 5.747 -7.400 359 HG22 VAL 45 1HG2 VAL 45 -6.302 6.192 -5.934 360 HG23 VAL 45 2HG2 VAL 45 -6.684 4.681 -6.760 361 H SER 46 H SER 46 -7.897 4.643 -3.859 362 HA SER 46 HA SER 46 -7.346 7.187 -2.618 363 HB2 SER 46 2HB SER 46 -9.341 6.830 -4.041 364 HB3 SER 46 3HB SER 46 -9.948 5.664 -2.870 365 HG SER 46 HG SER 46 -10.862 7.746 -2.593 366 H GLY 47 H GLY 47 -7.564 7.700 -0.463 367 HA2 GLY 47 2HA GLY 47 -8.587 6.739 1.699 368 HA3 GLY 47 3HA GLY 47 -7.519 5.385 1.352 369 H THR 48 H THR 48 -7.254 6.660 3.725 370 HA THR 48 HA THR 48 -5.305 8.749 3.632 371 HB THR 48 HB THR 48 -5.056 8.226 6.101 372 HG1 THR 48 HG1 THR 48 -7.321 6.549 5.677 373 HG21 THR 48 3HG2 THR 48 -7.278 9.105 6.679 374 HG22 THR 48 1HG2 THR 48 -7.838 8.748 5.045 375 HG23 THR 48 2HG2 THR 48 -6.580 9.958 5.300 376 H LYS 49 H LYS 49 -3.128 8.522 4.679 377 HA LYS 49 HA LYS 49 -1.546 6.769 3.210 378 HB2 LYS 49 2HB LYS 49 -0.703 8.826 4.288 379 HB3 LYS 49 3HB LYS 49 -0.865 8.053 5.860 380 HG2 LYS 49 2HG LYS 49 0.727 6.277 4.985 381 HG3 LYS 49 3HG LYS 49 1.042 7.376 3.642 382 HD2 LYS 49 2HD LYS 49 1.749 9.103 5.234 383 HD3 LYS 49 3HD LYS 49 1.446 7.987 6.568 384 HE2 LYS 49 2HE LYS 49 3.080 6.417 5.461 385 HE3 LYS 49 3HE LYS 49 3.502 7.747 4.385 386 HZ1 LYS 49 3HZ LYS 49 5.051 7.715 6.162 387 HZ2 LYS 49 1HZ LYS 49 3.829 7.642 7.333 388 HZ3 LYS 49 2HZ LYS 49 4.044 9.055 6.419 389 H THR 50 H THR 50 -2.498 6.534 6.628 390 HA THR 50 HA THR 50 -1.185 4.134 7.212 391 HB THR 50 HB THR 50 -3.784 5.048 8.457 392 HG1 THR 50 HG1 THR 50 -2.427 6.805 8.577 393 HG21 THR 50 3HG2 THR 50 -3.055 2.831 9.158 394 HG22 THR 50 1HG2 THR 50 -2.839 3.982 10.477 395 HG23 THR 50 2HG2 THR 50 -1.447 3.456 9.529 396 H GLU 51 H GLU 51 -4.436 4.751 5.959 397 HA GLU 51 HA GLU 51 -5.397 2.119 5.993 398 HB2 GLU 51 2HB GLU 51 -6.225 4.660 4.937 399 HB3 GLU 51 3HB GLU 51 -6.483 3.410 3.730 400 HG2 GLU 51 2HG GLU 51 -7.501 3.330 6.559 401 HG3 GLU 51 3HG GLU 51 -8.447 3.785 5.143 402 H LEU 52 H LEU 52 -3.671 3.940 3.488 403 HA LEU 52 HA LEU 52 -3.701 1.935 1.516 404 HB2 LEU 52 2HB LEU 52 -1.564 4.031 1.929 405 HB3 LEU 52 3HB LEU 52 -1.920 3.178 0.441 406 HG LEU 52 HG LEU 52 -3.677 5.211 1.810 407 HD11 LEU 52 1HD1 LEU 52 -3.256 6.560 -0.168 408 HD12 LEU 52 2HD1 LEU 52 -2.208 5.299 -0.819 409 HD13 LEU 52 3HD1 LEU 52 -1.748 6.155 0.653 410 HD21 LEU 52 3HD2 LEU 52 -5.169 4.974 -0.110 411 HD22 LEU 52 1HD2 LEU 52 -5.033 3.464 0.789 412 HD23 LEU 52 2HD2 LEU 52 -4.164 3.663 -0.733 413 H ILE 53 H ILE 53 -1.374 2.683 4.080 414 HA ILE 53 HA ILE 53 0.585 0.793 3.399 415 HB ILE 53 HB ILE 53 -0.156 1.849 6.132 416 HG12 ILE 53 2HG1 ILE 53 2.023 2.698 4.212 417 HG13 ILE 53 3HG1 ILE 53 0.518 3.569 4.481 418 HG21 ILE 53 1HG2 ILE 53 2.328 0.394 5.232 419 HG22 ILE 53 2HG2 ILE 53 1.107 -0.208 6.354 420 HG23 ILE 53 3HG2 ILE 53 2.114 1.170 6.802 421 HD11 ILE 53 3HD1 ILE 53 1.150 3.959 6.800 422 HD12 ILE 53 1HD1 ILE 53 2.364 4.588 5.684 423 HD13 ILE 53 2HD1 ILE 53 2.654 3.074 6.540 424 H GLU 54 H GLU 54 -2.118 0.527 5.717 425 HA GLU 54 HA GLU 54 -1.575 -2.175 6.364 426 HB2 GLU 54 2HB GLU 54 -4.107 -0.563 6.672 427 HB3 GLU 54 3HB GLU 54 -3.872 -2.175 7.335 428 HG2 GLU 54 2HG GLU 54 -1.859 -1.227 8.541 429 HG3 GLU 54 3HG GLU 54 -2.467 0.363 8.082 430 H ARG 55 H ARG 55 -3.502 -0.652 3.888 431 HA ARG 55 HA ARG 55 -4.995 -2.856 3.018 432 HB2 ARG 55 2HB ARG 55 -5.259 -0.461 2.300 433 HB3 ARG 55 3HB ARG 55 -3.834 -0.658 1.294 434 HG2 ARG 55 2HG ARG 55 -4.937 -2.214 -0.118 435 HG3 ARG 55 3HG ARG 55 -6.305 -2.350 0.995 436 HD2 ARG 55 2HD ARG 55 -5.495 0.084 -0.593 437 HD3 ARG 55 3HD ARG 55 -6.915 -0.928 -0.860 438 HE ARG 55 HE ARG 55 -7.218 -0.113 1.704 439 HH11 ARG 55 1HH1 ARG 55 -6.661 1.617 -1.295 440 HH12 ARG 55 2HH1 ARG 55 -7.488 3.052 -0.760 441 HH21 ARG 55 1HH2 ARG 55 -8.279 1.777 2.411 442 HH22 ARG 55 2HH2 ARG 55 -8.431 3.132 1.328 443 H LEU 56 H LEU 56 -1.739 -1.760 2.206 444 HA LEU 56 HA LEU 56 -1.171 -3.828 0.353 445 HB2 LEU 56 2HB LEU 56 0.611 -2.039 2.003 446 HB3 LEU 56 3HB LEU 56 1.236 -3.201 0.849 447 HG LEU 56 HG LEU 56 -0.612 -0.923 0.140 448 HD11 LEU 56 1HD1 LEU 56 1.557 -0.104 0.907 449 HD12 LEU 56 2HD1 LEU 56 1.357 0.134 -0.829 450 HD13 LEU 56 3HD1 LEU 56 2.369 -1.181 -0.231 451 HD21 LEU 56 3HD2 LEU 56 -0.773 -2.836 -1.366 452 HD22 LEU 56 1HD2 LEU 56 0.980 -2.830 -1.575 453 HD23 LEU 56 2HD2 LEU 56 0.018 -1.472 -2.156 454 H ARG 57 H ARG 57 -0.605 -3.451 3.833 455 HA ARG 57 HA ARG 57 0.931 -5.811 4.121 456 HB2 ARG 57 2HB ARG 57 -0.669 -4.360 6.238 457 HB3 ARG 57 3HB ARG 57 0.601 -5.540 6.531 458 HG2 ARG 57 2HG ARG 57 2.150 -3.970 5.279 459 HG3 ARG 57 3HG ARG 57 0.862 -2.773 5.395 460 HD2 ARG 57 2HD ARG 57 2.327 -4.117 7.657 461 HD3 ARG 57 3HD ARG 57 2.394 -2.417 7.200 462 HE ARG 57 HE ARG 57 -0.196 -3.505 8.018 463 HH11 ARG 57 1HH1 ARG 57 2.599 -1.519 8.788 464 HH12 ARG 57 2HH1 ARG 57 1.838 -0.780 10.170 465 HH21 ARG 57 1HH2 ARG 57 -1.176 -2.557 9.818 466 HH22 ARG 57 2HH2 ARG 57 -0.315 -1.380 10.764 467 H ALA 58 H ALA 58 -2.530 -5.192 4.310 468 HA ALA 58 HA ALA 58 -3.188 -7.818 5.258 469 HB1 ALA 58 3HB ALA 58 -4.936 -5.762 3.907 470 HB2 ALA 58 1HB ALA 58 -4.684 -5.926 5.644 471 HB3 ALA 58 2HB ALA 58 -5.499 -7.208 4.745 472 H TYR 59 H TYR 59 -2.794 -6.291 2.138 473 HA TYR 59 HA TYR 59 -3.864 -8.406 0.577 474 HB2 TYR 59 2HB TYR 59 -3.579 -6.161 -0.337 475 HB3 TYR 59 3HB TYR 59 -1.837 -6.265 -0.115 476 HD1 TYR 59 HD2 TYR 59 -4.677 -7.774 -1.982 477 HD2 TYR 59 HD1 TYR 59 -0.474 -7.140 -1.800 478 HE1 TYR 59 HE2 TYR 59 -4.445 -8.678 -4.261 479 HE2 TYR 59 HE1 TYR 59 -0.233 -8.037 -4.073 480 HH TYR 59 HH TYR 59 -2.895 -8.581 -6.137 481 H GLN 60 H GLN 60 -0.608 -7.590 1.684 482 HA GLN 60 HA GLN 60 0.637 -9.839 0.436 483 HB2 GLN 60 2HB GLN 60 1.811 -7.723 0.978 484 HB3 GLN 60 3HB GLN 60 1.623 -8.071 2.685 485 HG2 GLN 60 2HG GLN 60 3.028 -10.035 0.940 486 HG3 GLN 60 3HG GLN 60 3.863 -8.571 1.453 487 HE21 GLN 60 1HE2 GLN 60 4.497 -11.303 2.105 488 HE22 GLN 60 2HE2 GLN 60 4.397 -11.430 3.830 489 H ASP 61 H ASP 61 -0.877 -9.227 3.517 490 HA ASP 61 HA ASP 61 0.097 -11.347 5.040 491 HB2 ASP 61 2HB ASP 61 -1.274 -9.579 6.004 492 HB3 ASP 61 3HB ASP 61 -2.659 -10.103 5.054 493 H GLN 62 H GLN 62 -2.625 -11.257 2.775 494 HA GLN 62 HA GLN 62 -3.335 -13.995 3.288 495 HB2 GLN 62 2HB GLN 62 -4.971 -13.675 1.461 496 HB3 GLN 62 3HB GLN 62 -5.081 -12.427 2.694 497 HG2 GLN 62 2HG GLN 62 -3.650 -10.995 1.187 498 HG3 GLN 62 3HG GLN 62 -3.910 -12.213 -0.060 499 HE21 GLN 62 1HE2 GLN 62 -5.377 -9.748 1.894 500 HE22 GLN 62 2HE2 GLN 62 -6.851 -9.622 0.998 501 H ILE 63 H ILE 63 -0.925 -12.543 1.487 502 HA ILE 63 HA ILE 63 -0.776 -14.610 -0.553 503 HB ILE 63 HB ILE 63 1.171 -12.388 0.127 504 HG12 ILE 63 2HG1 ILE 63 -0.804 -12.642 -2.150 505 HG13 ILE 63 3HG1 ILE 63 -1.000 -11.601 -0.744 506 HG21 ILE 63 1HG2 ILE 63 1.140 -14.254 -2.244 507 HG22 ILE 63 2HG2 ILE 63 2.311 -14.267 -0.923 508 HG23 ILE 63 3HG2 ILE 63 2.231 -12.886 -2.018 509 HD11 ILE 63 3HD1 ILE 63 1.169 -11.378 -2.817 510 HD12 ILE 63 1HD1 ILE 63 0.978 -10.334 -1.409 511 HD13 ILE 63 2HD1 ILE 63 -0.249 -10.340 -2.676 512 H SER 64 H SER 64 0.579 -13.805 2.534 513 HA SER 64 HA SER 64 2.577 -15.919 2.394 514 HB2 SER 64 2HB SER 64 3.226 -13.729 3.312 515 HB3 SER 64 3HB SER 64 1.980 -13.874 4.547 516 HG SER 64 HG SER 64 3.256 -16.000 4.942 517 HA PRO 65 HA PRO 65 0.109 -18.956 4.538 518 HB2 PRO 65 2HB PRO 65 2.720 -19.655 5.784 519 HB3 PRO 65 3HB PRO 65 1.564 -20.689 4.939 520 HG2 PRO 65 2HG PRO 65 3.825 -19.960 3.757 521 HG3 PRO 65 3HG PRO 65 2.306 -20.025 2.840 522 HD2 PRO 65 2HD PRO 65 3.763 -17.653 3.934 523 HD3 PRO 65 3HD PRO 65 2.908 -17.839 2.388 524 H VAL 66 H VAL 66 -1.136 -18.229 6.139 525 HA VAL 66 HA VAL 66 -0.073 -16.670 8.306 526 HB VAL 66 HB VAL 66 -2.405 -16.552 9.108 527 HG11 VAL 66 1HG1 VAL 66 -2.032 -15.964 6.176 528 HG12 VAL 66 2HG1 VAL 66 -1.626 -14.901 7.523 529 HG13 VAL 66 3HG1 VAL 66 -3.311 -15.301 7.190 530 HG21 VAL 66 3HG2 VAL 66 -4.217 -17.481 7.731 531 HG22 VAL 66 1HG2 VAL 66 -3.199 -18.744 8.423 532 HG23 VAL 66 2HG2 VAL 66 -3.021 -18.299 6.726 533 HA PRO 67 HA PRO 67 0.765 -19.918 11.208 534 HB2 PRO 67 2HB PRO 67 -0.136 -17.895 13.196 535 HB3 PRO 67 3HB PRO 67 1.370 -18.817 13.125 536 HG2 PRO 67 2HG PRO 67 1.327 -16.238 12.468 537 HG3 PRO 67 3HG PRO 67 2.327 -17.394 11.566 538 HD2 PRO 67 2HD PRO 67 -0.288 -16.155 10.813 539 HD3 PRO 67 3HD PRO 67 1.120 -16.524 9.797 540 H GLY 68 H GLY 68 -1.971 -17.916 12.363 541 HA2 GLY 68 2HA GLY 68 -3.671 -20.304 12.268 542 HA3 GLY 68 3HA GLY 68 -3.426 -19.544 13.830 543 H ALA 69 H ALA 69 -3.339 -17.062 11.713 544 HA ALA 69 HA ALA 69 -4.729 -15.359 11.198 545 HB1 ALA 69 3HB ALA 69 -6.916 -17.443 11.158 546 HB2 ALA 69 1HB ALA 69 -5.890 -17.007 9.791 547 HB3 ALA 69 2HB ALA 69 -7.001 -15.821 10.472 548 HA PRO 70 HA PRO 70 -5.410 -14.659 15.608 549 HB2 PRO 70 2HB PRO 70 -5.642 -11.874 14.595 550 HB3 PRO 70 3HB PRO 70 -4.648 -12.518 15.906 551 HG2 PRO 70 2HG PRO 70 -3.553 -11.860 13.573 552 HG3 PRO 70 3HG PRO 70 -3.009 -13.291 14.466 553 HD2 PRO 70 2HD PRO 70 -4.767 -13.113 12.058 554 HD3 PRO 70 3HD PRO 70 -3.517 -14.309 12.457 555 H LYS 71 H LYS 71 -7.432 -15.530 15.886 556 HA LYS 71 HA LYS 71 -9.764 -13.993 15.075 557 HB2 LYS 71 2HB LYS 71 -9.557 -16.589 15.120 558 HB3 LYS 71 3HB LYS 71 -9.815 -16.423 16.853 559 HG2 LYS 71 2HG LYS 71 -11.902 -16.909 15.734 560 HG3 LYS 71 3HG LYS 71 -11.940 -15.279 16.415 561 HD2 LYS 71 2HD LYS 71 -11.368 -14.358 14.214 562 HD3 LYS 71 3HD LYS 71 -11.371 -15.987 13.540 563 HE2 LYS 71 2HE LYS 71 -13.735 -16.217 14.089 564 HE3 LYS 71 3HE LYS 71 -13.731 -14.608 14.812 565 HZ1 LYS 71 3HZ LYS 71 -13.184 -15.234 11.961 566 HZ2 LYS 71 1HZ LYS 71 -13.147 -13.685 12.650 567 HZ3 LYS 71 2HZ LYS 71 -14.610 -14.545 12.568 568 H ALA 72 H ALA 72 -9.929 -12.183 16.239 569 HA ALA 72 HA ALA 72 -8.777 -11.515 18.593 570 HB1 ALA 72 3HB ALA 72 -11.465 -10.523 17.679 571 HB2 ALA 72 1HB ALA 72 -9.910 -9.957 17.072 572 HB3 ALA 72 2HB ALA 72 -10.346 -9.693 18.761 573 HA PRO 73 HA PRO 73 -11.317 -13.730 21.576 574 HB2 PRO 73 2HB PRO 73 -9.304 -14.391 23.217 575 HB3 PRO 73 3HB PRO 73 -9.563 -15.238 21.688 576 HG2 PRO 73 2HG PRO 73 -7.455 -13.323 22.438 577 HG3 PRO 73 3HG PRO 73 -7.453 -14.556 21.169 578 HD2 PRO 73 2HD PRO 73 -7.982 -11.727 20.922 579 HD3 PRO 73 3HD PRO 73 -7.901 -12.950 19.640 580 H ALA 74 H ALA 74 -11.072 -13.555 24.158 581 HA ALA 74 HA ALA 74 -10.266 -10.910 25.029 582 HB1 ALA 74 3HB ALA 74 -13.127 -11.841 25.295 583 HB2 ALA 74 1HB ALA 74 -12.558 -10.535 24.257 584 HB3 ALA 74 2HB ALA 74 -12.448 -10.378 26.011 585 H ALA 75 H ALA 75 -10.190 -10.734 27.338 586 HA ALA 75 HA ALA 75 -10.086 -13.356 28.668 587 HB1 ALA 75 3HB ALA 75 -7.925 -12.199 28.530 588 HB2 ALA 75 1HB ALA 75 -8.468 -12.370 30.200 589 HB3 ALA 75 2HB ALA 75 -8.619 -10.817 29.378 Start of MODEL 20 1 H1 MET 1 1H MET 1 14.586 -15.437 -49.020 2 H2 MET 1 2H MET 1 14.428 -14.589 -50.482 3 H3 MET 1 3H MET 1 13.063 -15.268 -49.742 4 HA MET 1 HA MET 1 13.207 -13.783 -47.908 5 HB2 MET 1 2HB MET 1 15.696 -13.664 -47.929 6 HB3 MET 1 3HB MET 1 15.603 -12.602 -49.326 7 HG2 MET 1 2HG MET 1 14.365 -10.965 -47.982 8 HG3 MET 1 3HG MET 1 14.511 -12.025 -46.581 9 HE1 MET 1 3HE MET 1 16.440 -9.811 -49.184 10 HE2 MET 1 1HE MET 1 17.218 -11.384 -49.374 11 HE3 MET 1 2HE MET 1 18.112 -10.035 -48.672 12 H GLY 2 H GLY 2 13.283 -13.553 -51.322 13 HA2 GLY 2 2HA GLY 2 12.500 -10.804 -51.559 14 HA3 GLY 2 3HA GLY 2 12.505 -12.003 -52.841 15 H HIS 3 H HIS 3 10.760 -13.481 -50.570 16 HA HIS 3 HA HIS 3 8.257 -12.092 -51.268 17 HB2 HIS 3 2HB HIS 3 8.754 -15.066 -51.108 18 HB3 HIS 3 3HB HIS 3 7.146 -14.354 -51.143 19 HD1 HIS 3 HD1 HIS 3 9.783 -15.561 -53.316 20 HD2 HIS 3 HD2 HIS 3 6.676 -12.811 -53.612 21 HE1 HIS 3 HE1 HIS 3 9.445 -15.177 -55.780 22 HE2 HIS 3 HE2 HIS 3 7.523 -13.553 -55.942 23 H HIS 4 H HIS 4 9.873 -14.207 -48.940 24 HA HIS 4 HA HIS 4 8.131 -13.091 -46.851 25 HB2 HIS 4 2HB HIS 4 9.847 -15.586 -46.819 26 HB3 HIS 4 3HB HIS 4 8.983 -14.962 -45.420 27 HD1 HIS 4 HD1 HIS 4 6.258 -14.348 -46.612 28 HD2 HIS 4 HD2 HIS 4 8.424 -17.787 -47.494 29 HE1 HIS 4 HE1 HIS 4 4.567 -16.027 -47.411 30 HE2 HIS 4 HE2 HIS 4 5.874 -18.154 -47.767 31 H HIS 5 H HIS 5 9.002 -11.373 -45.927 32 HA HIS 5 HA HIS 5 11.937 -11.223 -45.758 33 HB2 HIS 5 2HB HIS 5 10.603 -9.543 -47.186 34 HB3 HIS 5 3HB HIS 5 10.067 -8.861 -45.652 35 HD1 HIS 5 HD1 HIS 5 12.690 -8.626 -48.106 36 HD2 HIS 5 HD2 HIS 5 12.370 -7.957 -44.015 37 HE1 HIS 5 HE1 HIS 5 14.663 -7.187 -47.498 38 HE2 HIS 5 HE2 HIS 5 14.323 -6.627 -45.065 39 H HIS 6 H HIS 6 12.678 -11.580 -43.787 40 HA HIS 6 HA HIS 6 11.103 -10.613 -41.493 41 HB2 HIS 6 2HB HIS 6 13.049 -12.895 -41.762 42 HB3 HIS 6 3HB HIS 6 12.612 -12.231 -40.191 43 HD1 HIS 6 HD1 HIS 6 10.435 -12.960 -39.184 44 HD2 HIS 6 HD2 HIS 6 10.851 -14.144 -43.152 45 HE1 HIS 6 HE1 HIS 6 8.515 -14.532 -39.631 46 HE2 HIS 6 HE2 HIS 6 8.862 -15.338 -41.998 47 H HIS 7 H HIS 7 11.823 -8.777 -40.715 48 HA HIS 7 HA HIS 7 14.668 -8.508 -40.137 49 HB2 HIS 7 2HB HIS 7 13.972 -7.407 -42.425 50 HB3 HIS 7 3HB HIS 7 13.320 -6.143 -41.386 51 HD1 HIS 7 HD1 HIS 7 14.953 -4.455 -40.473 52 HD2 HIS 7 HD2 HIS 7 16.827 -7.776 -42.139 53 HE1 HIS 7 HE1 HIS 7 17.404 -3.895 -40.536 54 HE2 HIS 7 HE2 HIS 7 18.478 -5.824 -41.748 55 H HIS 8 H HIS 8 11.609 -8.459 -39.137 56 HA HIS 8 HA HIS 8 12.245 -6.706 -36.868 57 HB2 HIS 8 2HB HIS 8 9.593 -6.803 -38.331 58 HB3 HIS 8 3HB HIS 8 9.839 -6.017 -36.778 59 HD1 HIS 8 HD1 HIS 8 10.705 -3.661 -36.805 60 HD2 HIS 8 HD2 HIS 8 10.929 -5.515 -40.520 61 HE1 HIS 8 HE1 HIS 8 11.345 -1.850 -38.431 62 HE2 HIS 8 HE2 HIS 8 11.652 -3.038 -40.636 63 H SER 9 H SER 9 11.243 -7.355 -34.883 64 HA SER 9 HA SER 9 9.719 -9.834 -34.937 65 HB2 SER 9 2HB SER 9 12.166 -10.446 -34.750 66 HB3 SER 9 3HB SER 9 12.185 -9.600 -33.202 67 HG SER 9 HG SER 9 11.146 -12.065 -33.863 68 H HIS 10 H HIS 10 8.201 -9.908 -33.397 69 HA HIS 10 HA HIS 10 8.288 -7.873 -31.263 70 HB2 HIS 10 2HB HIS 10 6.531 -7.394 -32.923 71 HB3 HIS 10 3HB HIS 10 5.866 -9.007 -32.702 72 HD1 HIS 10 HD1 HIS 10 6.309 -5.744 -30.832 73 HD2 HIS 10 HD2 HIS 10 4.067 -9.244 -30.645 74 HE1 HIS 10 HE1 HIS 10 4.556 -5.337 -29.072 75 HE2 HIS 10 HE2 HIS 10 3.114 -7.406 -29.091 76 H MET 11 H MET 11 9.220 -9.204 -29.721 77 HA MET 11 HA MET 11 7.981 -11.814 -29.222 78 HB2 MET 11 2HB MET 11 10.525 -10.599 -28.122 79 HB3 MET 11 3HB MET 11 9.939 -12.215 -27.754 80 HG2 MET 11 2HG MET 11 10.166 -12.832 -30.105 81 HG3 MET 11 3HG MET 11 10.748 -11.211 -30.474 82 HE1 MET 11 3HE MET 11 13.995 -13.323 -30.890 83 HE2 MET 11 1HE MET 11 12.882 -12.180 -31.641 84 HE3 MET 11 2HE MET 11 12.358 -13.830 -31.305 85 H SER 12 H SER 12 9.041 -8.941 -27.430 86 HA SER 12 HA SER 12 8.493 -8.099 -25.408 87 HB2 SER 12 2HB SER 12 5.819 -9.326 -26.107 88 HB3 SER 12 3HB SER 12 6.082 -8.237 -24.742 89 HG SER 12 HG SER 12 6.924 -6.710 -26.337 90 H THR 13 H THR 13 10.040 -9.587 -24.582 91 HA THR 13 HA THR 13 9.281 -12.113 -23.493 92 HB THR 13 HB THR 13 11.759 -10.508 -22.857 93 HG1 THR 13 HG1 THR 13 11.388 -12.348 -25.014 94 HG21 THR 13 3HG2 THR 13 11.280 -13.488 -22.974 95 HG22 THR 13 1HG2 THR 13 11.386 -12.528 -21.495 96 HG23 THR 13 2HG2 THR 13 12.794 -12.692 -22.545 97 HA PRO 14 HA PRO 14 7.517 -10.670 -19.635 98 HB2 PRO 14 2HB PRO 14 8.401 -13.376 -18.760 99 HB3 PRO 14 3HB PRO 14 6.815 -12.610 -18.620 100 HG2 PRO 14 2HG PRO 14 7.244 -14.512 -20.433 101 HG3 PRO 14 3HG PRO 14 6.234 -13.103 -20.814 102 HD2 PRO 14 2HD PRO 14 9.047 -13.699 -21.629 103 HD3 PRO 14 3HD PRO 14 7.746 -12.918 -22.550 104 H LEU 15 H LEU 15 8.460 -9.532 -18.071 105 HA LEU 15 HA LEU 15 11.303 -9.603 -17.738 106 HB2 LEU 15 2HB LEU 15 9.196 -8.042 -16.238 107 HB3 LEU 15 3HB LEU 15 10.925 -7.757 -16.162 108 HG LEU 15 HG LEU 15 9.226 -7.448 -18.640 109 HD11 LEU 15 1HD1 LEU 15 8.723 -5.750 -16.964 110 HD12 LEU 15 2HD1 LEU 15 9.588 -5.054 -18.335 111 HD13 LEU 15 3HD1 LEU 15 10.440 -5.371 -16.825 112 HD21 LEU 15 3HD2 LEU 15 12.106 -6.710 -18.145 113 HD22 LEU 15 1HD2 LEU 15 11.198 -6.460 -19.634 114 HD23 LEU 15 2HD2 LEU 15 11.560 -8.098 -19.085 115 H THR 16 H THR 16 12.475 -10.443 -16.102 116 HA THR 16 HA THR 16 11.116 -12.282 -14.316 117 HB THR 16 HB THR 16 14.093 -11.811 -14.498 118 HG1 THR 16 HG1 THR 16 14.000 -12.634 -16.445 119 HG21 THR 16 3HG2 THR 16 14.205 -14.149 -13.759 120 HG22 THR 16 1HG2 THR 16 12.442 -14.225 -13.723 121 HG23 THR 16 2HG2 THR 16 13.303 -13.161 -12.613 122 H GLY 17 H GLY 17 10.429 -11.580 -12.414 123 HA2 GLY 17 2HA GLY 17 11.648 -10.827 -10.243 124 HA3 GLY 17 3HA GLY 17 11.805 -9.321 -11.134 125 H LYS 18 H LYS 18 10.380 -7.870 -10.589 126 HA LYS 18 HA LYS 18 8.540 -6.831 -9.828 127 HB2 LYS 18 2HB LYS 18 7.193 -9.197 -11.114 128 HB3 LYS 18 3HB LYS 18 6.297 -7.869 -10.388 129 HG2 LYS 18 2HG LYS 18 7.633 -6.339 -11.926 130 HG3 LYS 18 3HG LYS 18 8.102 -7.807 -12.786 131 HD2 LYS 18 2HD LYS 18 6.159 -6.750 -13.835 132 HD3 LYS 18 3HD LYS 18 5.744 -8.333 -13.177 133 HE2 LYS 18 2HE LYS 18 4.776 -7.271 -11.205 134 HE3 LYS 18 3HE LYS 18 5.220 -5.684 -11.827 135 HZ1 LYS 18 3HZ LYS 18 3.475 -7.501 -13.370 136 HZ2 LYS 18 1HZ LYS 18 3.638 -5.822 -13.514 137 HZ3 LYS 18 2HZ LYS 18 2.841 -6.487 -12.171 138 HA PRO 19 HA PRO 19 8.438 -8.834 -5.795 139 HB2 PRO 19 2HB PRO 19 7.880 -6.519 -4.457 140 HB3 PRO 19 3HB PRO 19 9.511 -7.022 -4.908 141 HG2 PRO 19 2HG PRO 19 7.686 -5.070 -6.248 142 HG3 PRO 19 3HG PRO 19 9.435 -4.961 -5.969 143 HD2 PRO 19 2HD PRO 19 8.391 -5.653 -8.367 144 HD3 PRO 19 3HD PRO 19 9.936 -6.300 -7.779 145 H GLY 20 H GLY 20 6.656 -9.976 -5.430 146 HA2 GLY 20 2HA GLY 20 4.010 -8.820 -5.709 147 HA3 GLY 20 3HA GLY 20 4.390 -10.464 -5.204 148 H ALA 21 H ALA 21 6.225 -9.770 -3.170 149 HA ALA 21 HA ALA 21 4.410 -9.213 -1.022 150 HB1 ALA 21 3HB ALA 21 6.183 -10.852 -0.760 151 HB2 ALA 21 1HB ALA 21 6.370 -9.550 0.413 152 HB3 ALA 21 2HB ALA 21 7.400 -9.602 -1.018 153 H LEU 22 H LEU 22 5.803 -7.699 0.774 154 HA LEU 22 HA LEU 22 5.551 -5.079 -0.529 155 HB2 LEU 22 2HB LEU 22 5.273 -5.845 2.374 156 HB3 LEU 22 3HB LEU 22 5.108 -4.220 1.743 157 HG LEU 22 HG LEU 22 3.300 -6.549 1.110 158 HD11 LEU 22 1HD1 LEU 22 3.062 -5.693 3.389 159 HD12 LEU 22 2HD1 LEU 22 1.648 -5.315 2.404 160 HD13 LEU 22 3HD1 LEU 22 2.843 -4.062 2.752 161 HD21 LEU 22 3HD2 LEU 22 1.933 -4.918 -0.064 162 HD22 LEU 22 1HD2 LEU 22 3.545 -4.996 -0.775 163 HD23 LEU 22 2HD2 LEU 22 3.113 -3.654 0.287 164 HA PRO 23 HA PRO 23 9.783 -4.060 0.627 165 HB2 PRO 23 2HB PRO 23 9.521 -1.350 0.566 166 HB3 PRO 23 3HB PRO 23 9.696 -2.330 -0.896 167 HG2 PRO 23 2HG PRO 23 7.223 -1.184 0.335 168 HG3 PRO 23 3HG PRO 23 7.687 -1.263 -1.374 169 HD2 PRO 23 2HD PRO 23 5.923 -2.988 -0.245 170 HD3 PRO 23 3HD PRO 23 6.993 -3.450 -1.586 171 H ALA 24 H ALA 24 10.833 -3.197 2.493 172 HA ALA 24 HA ALA 24 9.116 -3.274 4.827 173 HB1 ALA 24 3HB ALA 24 11.206 -3.296 6.100 174 HB2 ALA 24 1HB ALA 24 12.112 -3.032 4.610 175 HB3 ALA 24 2HB ALA 24 11.198 -4.523 4.834 176 H ASN 25 H ASN 25 9.840 -0.876 2.785 177 HA ASN 25 HA ASN 25 10.223 1.186 4.851 178 HB2 ASN 25 2HB ASN 25 10.836 1.050 1.926 179 HB3 ASN 25 3HB ASN 25 10.559 2.619 2.670 180 HD21 ASN 25 1HD2 ASN 25 11.992 0.049 4.504 181 HD22 ASN 25 2HD2 ASN 25 13.596 0.697 4.542 182 H LEU 26 H LEU 26 7.663 -0.017 4.553 183 HA LEU 26 HA LEU 26 5.920 1.279 2.802 184 HB2 LEU 26 2HB LEU 26 5.388 0.075 5.512 185 HB3 LEU 26 3HB LEU 26 4.130 0.591 4.406 186 HG LEU 26 HG LEU 26 6.150 -1.587 3.864 187 HD11 LEU 26 1HD1 LEU 26 4.235 -3.095 4.041 188 HD12 LEU 26 2HD1 LEU 26 3.206 -1.737 4.495 189 HD13 LEU 26 3HD1 LEU 26 4.524 -2.236 5.554 190 HD21 LEU 26 3HD2 LEU 26 3.774 -0.661 2.246 191 HD22 LEU 26 1HD2 LEU 26 4.802 -2.047 1.876 192 HD23 LEU 26 2HD2 LEU 26 5.470 -0.415 1.828 193 H ASP 27 H ASP 27 6.941 2.187 6.067 194 HA ASP 27 HA ASP 27 5.120 4.440 6.134 195 HB2 ASP 27 2HB ASP 27 5.766 3.130 8.185 196 HB3 ASP 27 3HB ASP 27 7.382 3.815 8.039 197 H ASP 28 H ASP 28 8.244 3.789 5.000 198 HA ASP 28 HA ASP 28 9.186 6.527 5.117 199 HB2 ASP 28 2HB ASP 28 10.314 4.051 3.791 200 HB3 ASP 28 3HB ASP 28 11.106 5.623 3.775 201 H MET 29 H MET 29 7.095 4.776 3.216 202 HA MET 29 HA MET 29 7.706 6.219 0.755 203 HB2 MET 29 2HB MET 29 5.752 3.995 1.357 204 HB3 MET 29 3HB MET 29 5.897 4.774 -0.215 205 HG2 MET 29 2HG MET 29 8.178 4.014 -0.422 206 HG3 MET 29 3HG MET 29 8.123 3.321 1.197 207 HE1 MET 29 3HE MET 29 5.260 3.232 -1.522 208 HE2 MET 29 1HE MET 29 5.643 1.725 -2.356 209 HE3 MET 29 2HE MET 29 6.742 3.100 -2.468 210 H LYS 30 H LYS 30 6.247 7.577 -0.257 211 HA LYS 30 HA LYS 30 4.490 9.016 1.522 212 HB2 LYS 30 2HB LYS 30 5.112 9.427 -1.407 213 HB3 LYS 30 3HB LYS 30 4.210 10.545 -0.391 214 HG2 LYS 30 2HG LYS 30 6.143 10.961 0.959 215 HG3 LYS 30 3HG LYS 30 7.055 9.715 0.103 216 HD2 LYS 30 2HD LYS 30 6.842 11.011 -1.973 217 HD3 LYS 30 3HD LYS 30 5.978 12.269 -1.083 218 HE2 LYS 30 2HE LYS 30 8.327 12.845 -1.360 219 HE3 LYS 30 3HE LYS 30 7.917 12.602 0.335 220 HZ1 LYS 30 3HZ LYS 30 8.896 10.421 0.263 221 HZ2 LYS 30 1HZ LYS 30 10.033 11.560 -0.270 222 HZ3 LYS 30 2HZ LYS 30 9.231 10.577 -1.396 223 H VAL 31 H VAL 31 2.363 9.791 0.456 224 HA VAL 31 HA VAL 31 0.624 7.592 0.277 225 HB VAL 31 HB VAL 31 0.084 10.400 -0.705 226 HG11 VAL 31 1HG1 VAL 31 -2.254 9.887 -0.172 227 HG12 VAL 31 2HG1 VAL 31 -1.788 8.250 0.288 228 HG13 VAL 31 3HG1 VAL 31 -1.606 8.782 -1.383 229 HG21 VAL 31 3HG2 VAL 31 -0.790 10.850 1.548 230 HG22 VAL 31 1HG2 VAL 31 0.936 10.494 1.566 231 HG23 VAL 31 2HG2 VAL 31 -0.222 9.267 2.076 232 H ALA 32 H ALA 32 1.890 9.801 -2.193 233 HA ALA 32 HA ALA 32 0.648 8.630 -4.419 234 HB1 ALA 32 3HB ALA 32 3.297 10.073 -4.309 235 HB2 ALA 32 1HB ALA 32 1.712 10.838 -4.463 236 HB3 ALA 32 2HB ALA 32 2.321 9.796 -5.752 237 H GLU 33 H GLU 33 3.746 7.941 -2.842 238 HA GLU 33 HA GLU 33 4.687 6.064 -4.722 239 HB2 GLU 33 2HB GLU 33 5.249 6.276 -1.759 240 HB3 GLU 33 3HB GLU 33 6.153 5.267 -2.878 241 HG2 GLU 33 2HG GLU 33 5.952 8.266 -2.941 242 HG3 GLU 33 3HG GLU 33 7.344 7.315 -2.421 243 H LEU 34 H LEU 34 2.745 5.675 -1.781 244 HA LEU 34 HA LEU 34 2.689 2.852 -1.823 245 HB2 LEU 34 2HB LEU 34 0.760 4.829 -0.611 246 HB3 LEU 34 3HB LEU 34 0.727 3.102 -0.312 247 HG LEU 34 HG LEU 34 3.053 4.900 0.377 248 HD11 LEU 34 1HD1 LEU 34 0.928 3.726 2.167 249 HD12 LEU 34 2HD1 LEU 34 1.044 5.422 1.696 250 HD13 LEU 34 3HD1 LEU 34 2.315 4.689 2.679 251 HD21 LEU 34 3HD2 LEU 34 3.811 2.973 1.682 252 HD22 LEU 34 1HD2 LEU 34 3.688 2.578 -0.030 253 HD23 LEU 34 2HD2 LEU 34 2.444 2.034 1.092 254 H LYS 35 H LYS 35 0.569 5.298 -3.234 255 HA LYS 35 HA LYS 35 -1.509 3.608 -4.060 256 HB2 LYS 35 2HB LYS 35 -0.509 6.229 -5.159 257 HB3 LYS 35 3HB LYS 35 -1.927 5.411 -5.804 258 HG2 LYS 35 2HG LYS 35 -3.030 5.550 -3.660 259 HG3 LYS 35 3HG LYS 35 -1.592 6.279 -2.941 260 HD2 LYS 35 2HD LYS 35 -1.825 8.215 -4.387 261 HD3 LYS 35 3HD LYS 35 -3.209 7.469 -5.192 262 HE2 LYS 35 2HE LYS 35 -4.472 7.510 -3.130 263 HE3 LYS 35 3HE LYS 35 -3.085 8.167 -2.262 264 HZ1 LYS 35 3HZ LYS 35 -4.438 9.530 -4.526 265 HZ2 LYS 35 1HZ LYS 35 -3.220 10.171 -3.530 266 HZ3 LYS 35 2HZ LYS 35 -4.761 9.848 -2.891 267 H GLN 36 H GLN 36 1.591 4.323 -5.544 268 HA GLN 36 HA GLN 36 1.111 3.107 -8.043 269 HB2 GLN 36 2HB GLN 36 3.699 3.367 -6.492 270 HB3 GLN 36 3HB GLN 36 3.585 2.885 -8.180 271 HG2 GLN 36 2HG GLN 36 2.654 5.530 -7.081 272 HG3 GLN 36 3HG GLN 36 4.209 5.248 -7.862 273 HE21 GLN 36 1HE2 GLN 36 3.121 3.406 -9.835 274 HE22 GLN 36 2HE2 GLN 36 2.249 4.381 -10.969 275 H GLU 37 H GLU 37 2.497 1.860 -5.035 276 HA GLU 37 HA GLU 37 2.933 -0.770 -5.933 277 HB2 GLU 37 2HB GLU 37 2.550 0.381 -3.173 278 HB3 GLU 37 3HB GLU 37 2.969 -1.302 -3.460 279 HG2 GLU 37 2HG GLU 37 4.597 1.108 -4.239 280 HG3 GLU 37 3HG GLU 37 4.939 -0.019 -2.925 281 H LEU 38 H LEU 38 0.154 0.815 -4.516 282 HA LEU 38 HA LEU 38 -1.372 -1.467 -3.927 283 HB2 LEU 38 2HB LEU 38 -2.118 1.372 -4.563 284 HB3 LEU 38 3HB LEU 38 -3.327 0.157 -4.199 285 HG LEU 38 HG LEU 38 -1.082 0.837 -2.305 286 HD11 LEU 38 1HD1 LEU 38 -3.888 1.936 -2.359 287 HD12 LEU 38 2HD1 LEU 38 -2.417 2.838 -2.729 288 HD13 LEU 38 3HD1 LEU 38 -2.683 2.217 -1.100 289 HD21 LEU 38 3HD2 LEU 38 -2.118 -1.319 -1.915 290 HD22 LEU 38 1HD2 LEU 38 -3.722 -0.589 -1.960 291 HD23 LEU 38 2HD2 LEU 38 -2.605 -0.185 -0.655 292 H LYS 39 H LYS 39 -1.636 0.717 -6.751 293 HA LYS 39 HA LYS 39 -3.645 -0.884 -7.934 294 HB2 LYS 39 2HB LYS 39 -3.411 0.562 -9.891 295 HB3 LYS 39 3HB LYS 39 -3.517 1.480 -8.401 296 HG2 LYS 39 2HG LYS 39 -1.043 1.738 -8.460 297 HG3 LYS 39 3HG LYS 39 -1.051 0.961 -10.045 298 HD2 LYS 39 2HD LYS 39 -2.512 3.499 -9.302 299 HD3 LYS 39 3HD LYS 39 -1.036 3.400 -10.264 300 HE2 LYS 39 2HE LYS 39 -2.143 2.388 -12.063 301 HE3 LYS 39 3HE LYS 39 -3.534 1.948 -11.074 302 HZ1 LYS 39 3HZ LYS 39 -4.208 4.207 -10.967 303 HZ2 LYS 39 1HZ LYS 39 -3.927 3.840 -12.597 304 HZ3 LYS 39 2HZ LYS 39 -2.789 4.745 -11.727 305 H LEU 40 H LEU 40 -0.163 -0.968 -8.163 306 HA LEU 40 HA LEU 40 -0.039 -2.561 -10.513 307 HB2 LEU 40 2HB LEU 40 1.904 -2.226 -8.231 308 HB3 LEU 40 3HB LEU 40 2.246 -3.193 -9.653 309 HG LEU 40 HG LEU 40 1.735 -0.218 -9.605 310 HD11 LEU 40 1HD1 LEU 40 4.237 -1.808 -10.146 311 HD12 LEU 40 2HD1 LEU 40 3.910 -0.827 -8.717 312 HD13 LEU 40 3HD1 LEU 40 4.075 -0.057 -10.296 313 HD21 LEU 40 3HD2 LEU 40 2.332 -0.301 -11.994 314 HD22 LEU 40 1HD2 LEU 40 0.847 -1.185 -11.640 315 HD23 LEU 40 2HD2 LEU 40 2.352 -2.064 -11.913 316 H ARG 41 H ARG 41 -0.817 -3.237 -7.236 317 HA ARG 41 HA ARG 41 -0.680 -6.132 -7.739 318 HB2 ARG 41 2HB ARG 41 -0.886 -4.557 -5.167 319 HB3 ARG 41 3HB ARG 41 -1.033 -6.306 -5.247 320 HG2 ARG 41 2HG ARG 41 1.227 -6.513 -6.037 321 HG3 ARG 41 3HG ARG 41 1.383 -4.759 -6.151 322 HD2 ARG 41 2HD ARG 41 1.086 -4.563 -3.743 323 HD3 ARG 41 3HD ARG 41 0.885 -6.310 -3.614 324 HE ARG 41 HE ARG 41 3.161 -6.566 -3.773 325 HH11 ARG 41 1HH1 ARG 41 2.308 -3.306 -4.736 326 HH12 ARG 41 2HH1 ARG 41 3.950 -2.722 -4.666 327 HH21 ARG 41 1HH2 ARG 41 5.328 -5.776 -3.683 328 HH22 ARG 41 2HH2 ARG 41 5.641 -4.112 -4.085 329 H SER 42 H SER 42 -2.733 -3.914 -8.451 330 HA SER 42 HA SER 42 -4.969 -3.696 -8.708 331 HB2 SER 42 2HB SER 42 -5.124 -6.600 -7.864 332 HB3 SER 42 3HB SER 42 -6.349 -5.693 -8.754 333 HG SER 42 HG SER 42 -3.723 -5.916 -9.745 334 H LEU 43 H LEU 43 -4.564 -2.338 -6.736 335 HA LEU 43 HA LEU 43 -6.402 -3.175 -4.604 336 HB2 LEU 43 2HB LEU 43 -3.620 -2.053 -4.282 337 HB3 LEU 43 3HB LEU 43 -4.818 -1.974 -3.004 338 HG LEU 43 HG LEU 43 -4.061 -4.609 -4.233 339 HD11 LEU 43 1HD1 LEU 43 -1.978 -3.534 -3.497 340 HD12 LEU 43 2HD1 LEU 43 -2.408 -4.901 -2.468 341 HD13 LEU 43 3HD1 LEU 43 -2.693 -3.254 -1.908 342 HD21 LEU 43 3HD2 LEU 43 -5.147 -3.772 -1.552 343 HD22 LEU 43 1HD2 LEU 43 -4.760 -5.428 -2.024 344 HD23 LEU 43 2HD2 LEU 43 -6.052 -4.554 -2.852 345 HA PRO 44 HA PRO 44 -8.153 0.892 -5.191 346 HB2 PRO 44 2HB PRO 44 -8.651 0.839 -2.271 347 HB3 PRO 44 3HB PRO 44 -9.796 1.040 -3.601 348 HG2 PRO 44 2HG PRO 44 -9.674 -1.246 -2.212 349 HG3 PRO 44 3HG PRO 44 -9.986 -1.242 -3.958 350 HD2 PRO 44 2HD PRO 44 -7.467 -1.879 -2.482 351 HD3 PRO 44 3HD PRO 44 -8.151 -2.643 -3.932 352 H VAL 45 H VAL 45 -7.480 2.998 -4.954 353 HA VAL 45 HA VAL 45 -4.999 3.327 -3.397 354 HB VAL 45 HB VAL 45 -4.414 5.136 -4.955 355 HG11 VAL 45 1HG1 VAL 45 -5.108 2.546 -6.334 356 HG12 VAL 45 2HG1 VAL 45 -3.644 2.865 -5.404 357 HG13 VAL 45 3HG1 VAL 45 -3.944 3.741 -6.906 358 HG21 VAL 45 3HG2 VAL 45 -6.666 5.856 -5.571 359 HG22 VAL 45 1HG2 VAL 45 -6.923 4.336 -6.430 360 HG23 VAL 45 2HG2 VAL 45 -5.708 5.478 -7.003 361 H SER 46 H SER 46 -8.165 4.044 -3.155 362 HA SER 46 HA SER 46 -8.076 6.792 -2.389 363 HB2 SER 46 2HB SER 46 -10.142 4.746 -1.565 364 HB3 SER 46 3HB SER 46 -10.349 6.491 -1.713 365 HG SER 46 HG SER 46 -10.657 4.597 -3.586 366 H GLY 47 H GLY 47 -8.522 7.588 -0.181 367 HA2 GLY 47 2HA GLY 47 -8.550 7.193 2.193 368 HA3 GLY 47 3HA GLY 47 -7.543 5.774 1.928 369 H THR 48 H THR 48 -6.476 7.039 3.781 370 HA THR 48 HA THR 48 -4.674 9.123 2.815 371 HB THR 48 HB THR 48 -3.999 9.128 5.311 372 HG1 THR 48 HG1 THR 48 -5.112 7.875 6.628 373 HG21 THR 48 3HG2 THR 48 -6.798 9.918 4.498 374 HG22 THR 48 1HG2 THR 48 -5.345 10.897 4.314 375 HG23 THR 48 2HG2 THR 48 -5.944 10.504 5.926 376 H LYS 49 H LYS 49 -2.409 8.862 4.125 377 HA LYS 49 HA LYS 49 -0.943 6.929 2.793 378 HB2 LYS 49 2HB LYS 49 0.103 8.871 3.829 379 HB3 LYS 49 3HB LYS 49 -0.315 8.274 5.428 380 HG2 LYS 49 2HG LYS 49 1.115 6.272 4.961 381 HG3 LYS 49 3HG LYS 49 1.651 7.078 3.487 382 HD2 LYS 49 2HD LYS 49 2.534 8.929 4.802 383 HD3 LYS 49 3HD LYS 49 1.938 8.179 6.284 384 HE2 LYS 49 2HE LYS 49 3.393 6.232 5.842 385 HE3 LYS 49 3HE LYS 49 4.035 7.061 4.425 386 HZ1 LYS 49 3HZ LYS 49 4.237 8.016 7.232 387 HZ2 LYS 49 1HZ LYS 49 4.860 8.815 5.872 388 HZ3 LYS 49 2HZ LYS 49 5.489 7.311 6.331 389 H THR 50 H THR 50 -2.015 6.832 6.192 390 HA THR 50 HA THR 50 -0.861 4.335 6.758 391 HB THR 50 HB THR 50 -3.297 5.426 8.154 392 HG1 THR 50 HG1 THR 50 -0.852 6.151 9.194 393 HG21 THR 50 3HG2 THR 50 -2.229 4.410 10.123 394 HG22 THR 50 1HG2 THR 50 -0.902 3.842 9.106 395 HG23 THR 50 2HG2 THR 50 -2.533 3.216 8.862 396 H GLU 51 H GLU 51 -4.050 5.219 5.539 397 HA GLU 51 HA GLU 51 -5.315 2.732 5.747 398 HB2 GLU 51 2HB GLU 51 -5.647 4.878 3.641 399 HB3 GLU 51 3HB GLU 51 -6.744 3.526 3.873 400 HG2 GLU 51 2HG GLU 51 -6.160 5.632 5.940 401 HG3 GLU 51 3HG GLU 51 -7.556 5.628 4.862 402 H LEU 52 H LEU 52 -3.231 4.086 3.239 403 HA LEU 52 HA LEU 52 -3.489 1.926 1.426 404 HB2 LEU 52 2HB LEU 52 -1.118 3.770 1.663 405 HB3 LEU 52 3HB LEU 52 -1.668 2.913 0.238 406 HG LEU 52 HG LEU 52 -3.014 5.264 1.569 407 HD11 LEU 52 1HD1 LEU 52 -2.573 6.367 -0.574 408 HD12 LEU 52 2HD1 LEU 52 -1.727 4.925 -1.134 409 HD13 LEU 52 3HD1 LEU 52 -1.086 5.849 0.224 410 HD21 LEU 52 3HD2 LEU 52 -4.688 5.143 -0.188 411 HD22 LEU 52 1HD2 LEU 52 -4.690 3.662 0.767 412 HD23 LEU 52 2HD2 LEU 52 -3.938 3.682 -0.827 413 H ILE 53 H ILE 53 -1.172 2.691 3.985 414 HA ILE 53 HA ILE 53 0.632 0.590 3.577 415 HB ILE 53 HB ILE 53 -0.157 1.887 6.198 416 HG12 ILE 53 2HG1 ILE 53 2.140 2.492 4.318 417 HG13 ILE 53 3HG1 ILE 53 0.683 3.468 4.484 418 HG21 ILE 53 1HG2 ILE 53 2.323 0.314 5.508 419 HG22 ILE 53 2HG2 ILE 53 0.983 -0.275 6.491 420 HG23 ILE 53 3HG2 ILE 53 1.966 1.076 7.058 421 HD11 ILE 53 3HD1 ILE 53 2.722 2.959 6.636 422 HD12 ILE 53 1HD1 ILE 53 1.263 3.936 6.806 423 HD13 ILE 53 2HD1 ILE 53 2.539 4.442 5.700 424 H GLU 54 H GLU 54 -2.208 0.758 5.719 425 HA GLU 54 HA GLU 54 -1.998 -1.883 6.686 426 HB2 GLU 54 2HB GLU 54 -4.422 -0.081 6.497 427 HB3 GLU 54 3HB GLU 54 -4.336 -1.563 7.444 428 HG2 GLU 54 2HG GLU 54 -2.508 -0.578 8.767 429 HG3 GLU 54 3HG GLU 54 -2.680 0.916 7.849 430 H ARG 55 H ARG 55 -3.647 -0.492 3.920 431 HA ARG 55 HA ARG 55 -5.129 -2.771 3.173 432 HB2 ARG 55 2HB ARG 55 -5.543 -0.469 2.340 433 HB3 ARG 55 3HB ARG 55 -4.059 -0.568 1.403 434 HG2 ARG 55 2HG ARG 55 -4.961 -2.269 0.015 435 HG3 ARG 55 3HG ARG 55 -6.377 -2.450 1.055 436 HD2 ARG 55 2HD ARG 55 -5.637 0.000 -0.535 437 HD3 ARG 55 3HD ARG 55 -6.914 -1.149 -0.934 438 HE ARG 55 HE ARG 55 -7.767 -0.437 1.431 439 HH11 ARG 55 1HH1 ARG 55 -6.301 1.640 -0.990 440 HH12 ARG 55 2HH1 ARG 55 -7.134 3.069 -0.446 441 HH21 ARG 55 1HH2 ARG 55 -8.881 1.431 2.112 442 HH22 ARG 55 2HH2 ARG 55 -8.632 2.940 1.290 443 H LEU 56 H LEU 56 -1.902 -1.622 2.263 444 HA LEU 56 HA LEU 56 -1.266 -3.681 0.456 445 HB2 LEU 56 2HB LEU 56 0.430 -1.941 2.236 446 HB3 LEU 56 3HB LEU 56 1.138 -3.151 1.185 447 HG LEU 56 HG LEU 56 -0.597 -0.883 0.205 448 HD11 LEU 56 1HD1 LEU 56 2.406 -1.139 0.235 449 HD12 LEU 56 2HD1 LEU 56 1.451 -0.015 1.199 450 HD13 LEU 56 3HD1 LEU 56 1.492 0.142 -0.556 451 HD21 LEU 56 3HD2 LEU 56 -0.572 -2.820 -1.268 452 HD22 LEU 56 1HD2 LEU 56 1.192 -2.838 -1.237 453 HD23 LEU 56 2HD2 LEU 56 0.336 -1.488 -1.980 454 H ARG 57 H ARG 57 -0.874 -3.444 3.965 455 HA ARG 57 HA ARG 57 0.529 -5.845 4.354 456 HB2 ARG 57 2HB ARG 57 -1.410 -4.477 6.228 457 HB3 ARG 57 3HB ARG 57 -0.245 -5.711 6.689 458 HG2 ARG 57 2HG ARG 57 1.575 -4.177 5.964 459 HG3 ARG 57 3HG ARG 57 0.353 -2.935 5.683 460 HD2 ARG 57 2HD ARG 57 1.336 -2.596 7.856 461 HD3 ARG 57 3HD ARG 57 -0.333 -3.132 8.053 462 HE ARG 57 HE ARG 57 1.796 -5.143 8.173 463 HH11 ARG 57 1HH1 ARG 57 -0.574 -3.186 9.881 464 HH12 ARG 57 2HH1 ARG 57 -0.573 -4.202 11.294 465 HH21 ARG 57 1HH2 ARG 57 1.803 -6.454 10.033 466 HH22 ARG 57 2HH2 ARG 57 0.772 -6.063 11.380 467 H ALA 58 H ALA 58 -2.931 -5.139 4.240 468 HA ALA 58 HA ALA 58 -3.845 -7.701 4.960 469 HB1 ALA 58 3HB ALA 58 -5.274 -5.714 4.995 470 HB2 ALA 58 1HB ALA 58 -5.987 -7.005 4.030 471 HB3 ALA 58 2HB ALA 58 -5.210 -5.638 3.234 472 H TYR 59 H TYR 59 -2.807 -6.351 1.889 473 HA TYR 59 HA TYR 59 -3.747 -8.568 0.331 474 HB2 TYR 59 2HB TYR 59 -3.463 -6.357 -0.688 475 HB3 TYR 59 3HB TYR 59 -1.734 -6.417 -0.363 476 HD1 TYR 59 HD2 TYR 59 -4.436 -8.178 -2.233 477 HD2 TYR 59 HD1 TYR 59 -0.279 -7.334 -1.940 478 HE1 TYR 59 HE2 TYR 59 -4.068 -9.266 -4.408 479 HE2 TYR 59 HE1 TYR 59 0.100 -8.421 -4.109 480 HH TYR 59 HH TYR 59 -2.467 -9.304 -6.210 481 H GLN 60 H GLN 60 -0.651 -7.630 1.776 482 HA GLN 60 HA GLN 60 0.882 -9.678 0.568 483 HB2 GLN 60 2HB GLN 60 1.639 -7.538 1.857 484 HB3 GLN 60 3HB GLN 60 1.522 -8.562 3.281 485 HG2 GLN 60 2HG GLN 60 3.163 -9.336 0.890 486 HG3 GLN 60 3HG GLN 60 3.800 -8.319 2.178 487 HE21 GLN 60 1HE2 GLN 60 4.583 -10.998 1.270 488 HE22 GLN 60 2HE2 GLN 60 4.512 -11.999 2.672 489 H ASP 61 H ASP 61 -0.951 -9.498 3.569 490 HA ASP 61 HA ASP 61 -0.147 -11.914 4.720 491 HB2 ASP 61 2HB ASP 61 -1.458 -10.163 5.887 492 HB3 ASP 61 3HB ASP 61 -2.861 -10.585 4.911 493 H GLN 62 H GLN 62 -2.718 -11.226 2.383 494 HA GLN 62 HA GLN 62 -3.673 -13.949 2.433 495 HB2 GLN 62 2HB GLN 62 -5.264 -13.222 0.717 496 HB3 GLN 62 3HB GLN 62 -5.259 -12.126 2.091 497 HG2 GLN 62 2HG GLN 62 -3.786 -10.607 0.803 498 HG3 GLN 62 3HG GLN 62 -3.971 -11.680 -0.587 499 HE21 GLN 62 1HE2 GLN 62 -5.531 -9.383 1.493 500 HE22 GLN 62 2HE2 GLN 62 -6.921 -9.127 0.496 501 H ILE 63 H ILE 63 -1.046 -12.519 1.023 502 HA ILE 63 HA ILE 63 -0.989 -14.016 -1.430 503 HB ILE 63 HB ILE 63 1.189 -12.563 0.089 504 HG12 ILE 63 2HG1 ILE 63 -0.477 -11.099 -0.909 505 HG13 ILE 63 3HG1 ILE 63 1.046 -10.961 -1.781 506 HG21 ILE 63 1HG2 ILE 63 2.618 -12.851 -1.867 507 HG22 ILE 63 2HG2 ILE 63 1.382 -13.850 -2.631 508 HG23 ILE 63 3HG2 ILE 63 2.184 -14.406 -1.160 509 HD11 ILE 63 3HD1 ILE 63 0.159 -12.445 -3.521 510 HD12 ILE 63 1HD1 ILE 63 -0.810 -10.987 -3.322 511 HD13 ILE 63 2HD1 ILE 63 -1.377 -12.520 -2.659 512 H SER 64 H SER 64 -0.271 -14.565 1.869 513 HA SER 64 HA SER 64 0.276 -16.412 3.057 514 HB2 SER 64 2HB SER 64 0.328 -17.935 0.442 515 HB3 SER 64 3HB SER 64 0.199 -18.615 2.063 516 HG SER 64 HG SER 64 -1.724 -17.383 0.478 517 HA PRO 65 HA PRO 65 4.699 -15.666 2.182 518 HB2 PRO 65 2HB PRO 65 4.835 -15.669 5.118 519 HB3 PRO 65 3HB PRO 65 5.340 -14.419 3.978 520 HG2 PRO 65 2HG PRO 65 3.190 -14.110 5.563 521 HG3 PRO 65 3HG PRO 65 3.252 -13.438 3.923 522 HD2 PRO 65 2HD PRO 65 1.894 -15.925 4.899 523 HD3 PRO 65 3HD PRO 65 1.307 -14.696 3.758 524 H VAL 66 H VAL 66 5.820 -17.435 1.709 525 HA VAL 66 HA VAL 66 5.291 -19.978 2.798 526 HB VAL 66 HB VAL 66 7.346 -20.718 1.619 527 HG11 VAL 66 1HG1 VAL 66 5.497 -18.957 0.015 528 HG12 VAL 66 2HG1 VAL 66 5.212 -20.643 0.449 529 HG13 VAL 66 3HG1 VAL 66 6.535 -20.222 -0.643 530 HG21 VAL 66 3HG2 VAL 66 8.728 -18.741 1.901 531 HG22 VAL 66 1HG2 VAL 66 7.609 -17.792 0.920 532 HG23 VAL 66 2HG2 VAL 66 8.536 -19.101 0.185 533 HA PRO 67 HA PRO 67 7.659 -19.915 6.508 534 HB2 PRO 67 2HB PRO 67 7.958 -22.816 6.303 535 HB3 PRO 67 3HB PRO 67 7.031 -21.868 7.468 536 HG2 PRO 67 2HG PRO 67 5.857 -23.387 5.558 537 HG3 PRO 67 3HG PRO 67 5.132 -21.890 6.173 538 HD2 PRO 67 2HD PRO 67 6.648 -22.362 3.631 539 HD3 PRO 67 3HD PRO 67 5.194 -21.379 3.910 540 H GLY 68 H GLY 68 9.001 -22.772 4.908 541 HA2 GLY 68 2HA GLY 68 11.634 -21.421 4.936 542 HA3 GLY 68 3HA GLY 68 11.423 -23.106 5.398 543 H ALA 69 H ALA 69 10.333 -21.100 2.669 544 HA ALA 69 HA ALA 69 11.414 -23.170 0.875 545 HB1 ALA 69 3HB ALA 69 9.061 -21.341 0.390 546 HB2 ALA 69 1HB ALA 69 8.973 -23.057 0.783 547 HB3 ALA 69 2HB ALA 69 9.687 -22.538 -0.743 548 HA PRO 70 HA PRO 70 14.019 -19.596 -0.058 549 HB2 PRO 70 2HB PRO 70 16.022 -21.021 -1.195 550 HB3 PRO 70 3HB PRO 70 15.830 -20.872 0.555 551 HG2 PRO 70 2HG PRO 70 15.057 -23.121 -1.254 552 HG3 PRO 70 3HG PRO 70 15.793 -23.181 0.359 553 HD2 PRO 70 2HD PRO 70 13.131 -23.587 -0.102 554 HD3 PRO 70 3HD PRO 70 13.771 -22.933 1.419 555 H LYS 71 H LYS 71 13.173 -18.457 -1.692 556 HA LYS 71 HA LYS 71 13.186 -19.669 -4.373 557 HB2 LYS 71 2HB LYS 71 11.520 -17.444 -3.210 558 HB3 LYS 71 3HB LYS 71 11.624 -17.732 -4.942 559 HG2 LYS 71 2HG LYS 71 10.581 -19.630 -2.848 560 HG3 LYS 71 3HG LYS 71 9.645 -18.790 -4.088 561 HD2 LYS 71 2HD LYS 71 10.837 -20.012 -5.831 562 HD3 LYS 71 3HD LYS 71 11.816 -20.825 -4.612 563 HE2 LYS 71 2HE LYS 71 9.707 -21.779 -3.670 564 HE3 LYS 71 3HE LYS 71 8.848 -21.093 -5.050 565 HZ1 LYS 71 3HZ LYS 71 10.263 -22.418 -6.519 566 HZ2 LYS 71 1HZ LYS 71 9.394 -23.400 -5.447 567 HZ3 LYS 71 2HZ LYS 71 11.040 -23.097 -5.177 568 H ALA 72 H ALA 72 15.230 -18.142 -2.637 569 HA ALA 72 HA ALA 72 16.395 -16.729 -4.894 570 HB1 ALA 72 3HB ALA 72 15.193 -14.973 -3.686 571 HB2 ALA 72 1HB ALA 72 16.937 -14.752 -3.551 572 HB3 ALA 72 2HB ALA 72 16.026 -15.419 -2.197 573 HA PRO 73 HA PRO 73 19.938 -18.818 -3.253 574 HB2 PRO 73 2HB PRO 73 21.660 -16.928 -4.652 575 HB3 PRO 73 3HB PRO 73 21.370 -18.634 -4.996 576 HG2 PRO 73 2HG PRO 73 20.491 -16.642 -6.612 577 HG3 PRO 73 3HG PRO 73 19.642 -18.189 -6.434 578 HD2 PRO 73 2HD PRO 73 19.036 -15.539 -5.175 579 HD3 PRO 73 3HD PRO 73 17.922 -16.738 -5.868 580 H ALA 74 H ALA 74 19.821 -18.231 -1.085 581 HA ALA 74 HA ALA 74 21.865 -16.400 -0.202 582 HB1 ALA 74 3HB ALA 74 20.389 -15.015 1.178 583 HB2 ALA 74 1HB ALA 74 18.982 -15.850 0.518 584 HB3 ALA 74 2HB ALA 74 19.988 -14.854 -0.534 585 H ALA 75 H ALA 75 21.626 -16.284 2.353 586 HA ALA 75 HA ALA 75 21.256 -19.052 3.245 587 HB1 ALA 75 3HB ALA 75 22.666 -18.455 5.143 588 HB2 ALA 75 1HB ALA 75 22.736 -16.784 4.586 589 HB3 ALA 75 2HB ALA 75 23.474 -18.066 3.625
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