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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8495 |
1mak ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 865 H/Q atoms Start of MODEL 1 1 1H ASP 1 HT3 ASP 1 2.361 -2.229 1.993 2 2H ASP 1 HT1 ASP 1 1.845 -0.620 1.820 3 3H ASP 1 HT2 ASP 1 0.900 -1.886 1.199 4 HA ASP 1 HA ASP 1 2.608 -2.436 -0.394 5 1HB ASP 1 HB2 ASP 1 2.567 0.442 -0.950 6 2HB ASP 1 HB1 ASP 1 1.745 -0.854 -1.815 7 H VAL 2 HN VAL 2 4.443 -1.296 -1.622 8 HA VAL 2 HA VAL 2 6.604 -1.196 0.284 9 HB VAL 2 HB VAL 2 6.672 -0.523 -2.694 10 1HG1 VAL 2 HG13 VAL 2 8.771 -1.402 -0.684 11 2HG1 VAL 2 HG11 VAL 2 9.039 -1.416 -2.424 12 3HG1 VAL 2 HG12 VAL 2 8.732 0.105 -1.594 13 1HG2 VAL 2 HG23 VAL 2 6.595 -3.140 -1.200 14 2HG2 VAL 2 HG21 VAL 2 5.768 -2.690 -2.688 15 3HG2 VAL 2 HG22 VAL 2 7.494 -3.032 -2.709 16 H VAL 3 HN VAL 3 7.571 0.533 1.182 17 HA VAL 3 HA VAL 3 6.503 3.212 0.513 18 HB VAL 3 HB VAL 3 8.608 2.615 2.629 19 1HG1 VAL 3 HG12 VAL 3 6.361 4.632 2.322 20 2HG1 VAL 3 HG13 VAL 3 7.311 4.456 3.794 21 3HG1 VAL 3 HG11 VAL 3 8.092 4.958 2.298 22 1HG2 VAL 3 HG22 VAL 3 5.666 1.944 2.658 23 2HG2 VAL 3 HG23 VAL 3 7.023 0.974 3.225 24 3HG2 VAL 3 HG21 VAL 3 6.491 2.372 4.153 25 H MET 4 HN MET 4 7.948 5.038 0.216 26 HA MET 4 HA MET 4 10.667 4.352 -0.773 27 1HB MET 4 HB2 MET 4 8.633 6.041 -2.312 28 2HB MET 4 HB1 MET 4 10.276 5.689 -2.832 29 1HG MET 4 HG1 MET 4 8.211 3.554 -2.284 30 2HG MET 4 HG2 MET 4 8.439 4.263 -3.859 31 1HE MET 4 HE3 MET 4 10.248 4.175 -5.258 32 2HE MET 4 HE1 MET 4 11.707 4.344 -4.279 33 3HE MET 4 HE2 MET 4 11.500 2.937 -5.320 34 H THR 5 HN THR 5 11.958 5.583 0.436 35 HA THR 5 HA THR 5 11.066 8.155 1.520 36 HB THR 5 HB THR 5 13.965 7.202 1.589 37 HG1 THR 5 HG1 THR 5 12.057 6.270 3.411 38 1HG2 THR 5 HG21 THR 5 12.007 8.360 3.652 39 2HG2 THR 5 HG22 THR 5 13.687 7.951 3.988 40 3HG2 THR 5 HG23 THR 5 13.306 9.265 2.879 41 H GLN 6 HN GLN 6 10.989 9.864 0.189 42 HA GLN 6 HA GLN 6 13.007 10.095 -1.983 43 1HB GLN 6 HB2 GLN 6 10.463 11.662 -1.348 44 2HB GLN 6 HB1 GLN 6 11.499 11.990 -2.734 45 1HG GLN 6 HG1 GLN 6 10.533 10.308 -3.896 46 2HG GLN 6 HG2 GLN 6 10.945 9.163 -2.624 47 1HE2 GLN 6 HE22 GLN 6 7.548 8.808 -1.833 48 2HE2 GLN 6 HE21 GLN 6 9.052 8.071 -2.104 49 H THR 7 HN THR 7 14.663 11.411 -1.873 50 HA THR 7 HA THR 7 14.596 13.949 -0.420 51 HB THR 7 HB THR 7 16.884 12.828 0.784 52 HG1 THR 7 HG1 THR 7 14.813 10.948 1.081 53 1HG2 THR 7 HG23 THR 7 14.637 14.019 1.769 54 2HG2 THR 7 HG21 THR 7 14.212 12.349 2.129 55 3HG2 THR 7 HG22 THR 7 15.673 13.052 2.815 56 HA PRO 8 HA PRO 8 16.186 15.197 0.425 57 1HB PRO 8 HB2 PRO 8 17.202 17.635 -0.603 58 2HB PRO 8 HB1 PRO 8 18.082 16.534 0.458 59 1HG PRO 8 HG1 PRO 8 18.533 17.070 -2.381 60 2HG PRO 8 HG2 PRO 8 19.533 16.135 -1.269 61 1HD PRO 8 HD1 PRO 8 17.737 15.141 -3.318 62 2HD PRO 8 HD2 PRO 8 18.786 14.205 -2.237 63 H LEU 9 HN LEU 9 15.029 17.432 0.561 64 HA LEU 9 HA LEU 9 12.805 17.335 -1.362 65 1HB LEU 9 HB2 LEU 9 13.241 19.384 0.858 66 2HB LEU 9 HB1 LEU 9 11.710 18.880 0.156 67 HG LEU 9 HG LEU 9 13.544 17.050 1.748 68 1HD1 LEU 9 HD11 LEU 9 11.053 18.601 2.524 69 2HD1 LEU 9 HD12 LEU 9 11.700 17.270 3.479 70 3HD1 LEU 9 HD13 LEU 9 12.654 18.731 3.245 71 1HD2 LEU 9 HD22 LEU 9 10.892 16.751 0.364 72 2HD2 LEU 9 HD23 LEU 9 12.243 15.623 0.432 73 3HD2 LEU 9 HD21 LEU 9 11.194 15.826 1.830 74 H SER 10 HN SER 10 15.489 19.430 -0.540 75 HA SER 10 HA SER 10 14.967 20.966 -3.047 76 1HB SER 10 HB2 SER 10 15.449 23.067 -1.906 77 2HB SER 10 HB1 SER 10 14.340 22.210 -0.820 78 HG SER 10 HG SER 10 16.545 21.220 -0.119 79 H LEU 11 HN LEU 11 16.876 21.929 -3.978 80 HA LEU 11 HA LEU 11 19.457 20.940 -2.886 81 1HB LEU 11 HB2 LEU 11 18.310 19.382 -4.692 82 2HB LEU 11 HB1 LEU 11 18.830 20.610 -5.836 83 HG LEU 11 HG LEU 11 21.153 20.336 -4.556 84 1HD1 LEU 11 HD12 LEU 11 20.091 18.697 -2.931 85 2HD1 LEU 11 HD13 LEU 11 19.926 17.574 -4.278 86 3HD1 LEU 11 HD11 LEU 11 21.525 18.088 -3.749 87 1HD2 LEU 11 HD23 LEU 11 20.048 18.377 -6.599 88 2HD2 LEU 11 HD21 LEU 11 20.832 19.913 -6.950 89 3HD2 LEU 11 HD22 LEU 11 21.760 18.592 -6.249 90 HA PRO 12 HA PRO 12 19.714 25.237 -4.542 91 1HB PRO 12 HB2 PRO 12 21.225 26.016 -2.257 92 2HB PRO 12 HB1 PRO 12 19.532 26.402 -2.558 93 1HG PRO 12 HG1 PRO 12 20.638 24.526 -0.613 94 2HG PRO 12 HG2 PRO 12 18.962 25.041 -0.805 95 1HD PRO 12 HD1 PRO 12 20.116 22.508 -1.552 96 2HD PRO 12 HD2 PRO 12 18.441 23.043 -1.788 97 H VAL 13 HN VAL 13 21.173 24.499 -6.082 98 HA VAL 13 HA VAL 13 24.012 24.219 -5.178 99 HB VAL 13 HB VAL 13 24.363 22.782 -7.106 100 1HG1 VAL 13 HG13 VAL 13 22.771 22.038 -5.059 101 2HG1 VAL 13 HG11 VAL 13 21.622 21.847 -6.378 102 3HG1 VAL 13 HG12 VAL 13 23.140 20.956 -6.397 103 1HG2 VAL 13 HG22 VAL 13 21.812 24.068 -8.010 104 2HG2 VAL 13 HG23 VAL 13 23.258 23.677 -8.937 105 3HG2 VAL 13 HG21 VAL 13 22.106 22.409 -8.529 106 H SER 14 HN SER 14 25.462 24.560 -7.253 107 HA SER 14 HA SER 14 24.810 27.293 -8.279 108 1HB SER 14 HB2 SER 14 26.850 27.126 -6.781 109 2HB SER 14 HB1 SER 14 27.553 25.962 -7.921 110 HG SER 14 HG SER 14 27.931 27.533 -9.277 111 H LEU 15 HN LEU 15 25.356 27.740 -10.476 112 HA LEU 15 HA LEU 15 24.859 25.537 -12.256 113 1HB LEU 15 HB2 LEU 15 25.857 28.371 -12.792 114 2HB LEU 15 HB1 LEU 15 25.357 27.245 -14.048 115 HG LEU 15 HG LEU 15 23.620 28.314 -11.796 116 1HD1 LEU 15 HD12 LEU 15 24.193 29.729 -13.903 117 2HD1 LEU 15 HD13 LEU 15 23.180 28.578 -14.772 118 3HD1 LEU 15 HD11 LEU 15 22.495 29.549 -13.471 119 1HD2 LEU 15 HD22 LEU 15 23.346 25.991 -13.629 120 2HD2 LEU 15 HD23 LEU 15 22.583 26.283 -12.069 121 3HD2 LEU 15 HD21 LEU 15 21.934 27.034 -13.522 122 H GLY 16 HN GLY 16 26.436 24.038 -11.862 123 1HA GLY 16 HA1 GLY 16 28.486 23.539 -13.490 124 2HA GLY 16 HA2 GLY 16 29.254 24.758 -12.479 125 H ASP 17 HN ASP 17 27.330 23.490 -10.318 126 HA ASP 17 HA ASP 17 29.408 21.767 -9.195 127 1HB ASP 17 HB2 ASP 17 27.435 23.381 -8.126 128 2HB ASP 17 HB1 ASP 17 26.701 21.791 -7.941 129 H GLN 18 HN GLN 18 28.076 19.801 -7.896 130 HA GLN 18 HA GLN 18 27.102 18.090 -10.158 131 1HB GLN 18 HB2 GLN 18 28.668 17.561 -7.619 132 2HB GLN 18 HB1 GLN 18 27.738 16.254 -8.342 133 1HG GLN 18 HG1 GLN 18 28.994 16.331 -10.370 134 2HG GLN 18 HG2 GLN 18 29.667 17.913 -9.985 135 1HE2 GLN 18 HE22 GLN 18 31.124 15.222 -7.322 136 2HE2 GLN 18 HE21 GLN 18 29.473 15.615 -7.368 137 H ALA 19 HN ALA 19 25.534 16.363 -9.475 138 HA ALA 19 HA ALA 19 23.739 17.339 -7.284 139 1HB ALA 19 HB3 ALA 19 23.054 17.721 -9.830 140 2HB ALA 19 HB1 ALA 19 22.628 16.015 -9.766 141 3HB ALA 19 HB2 ALA 19 21.844 17.160 -8.683 142 H SER 20 HN SER 20 22.240 15.696 -6.476 143 HA SER 20 HA SER 20 22.762 12.895 -7.078 144 1HB SER 20 HB2 SER 20 23.652 12.355 -4.770 145 2HB SER 20 HB1 SER 20 24.739 13.465 -5.627 146 HG SER 20 HG SER 20 22.766 14.065 -3.685 147 H ILE 21 HN ILE 21 20.442 13.294 -7.415 148 HA ILE 21 HA ILE 21 18.729 13.828 -5.127 149 HB ILE 21 HB ILE 21 17.928 12.383 -7.685 150 1HG1 ILE 21 HG11 ILE 21 18.236 15.383 -7.302 151 2HG1 ILE 21 HG12 ILE 21 19.315 14.377 -8.262 152 1HG2 ILE 21 HG23 ILE 21 16.342 12.829 -5.651 153 2HG2 ILE 21 HG21 ILE 21 16.437 14.527 -6.112 154 3HG2 ILE 21 HG22 ILE 21 15.765 13.345 -7.231 155 1HD1 ILE 21 HD13 ILE 21 17.179 13.622 -9.521 156 2HD1 ILE 21 HD11 ILE 21 16.407 15.012 -8.766 157 3HD1 ILE 21 HD12 ILE 21 17.777 15.247 -9.846 158 H SER 22 HN SER 22 17.878 12.403 -3.704 159 HA SER 22 HA SER 22 18.653 9.547 -4.057 160 1HB SER 22 HB2 SER 22 19.339 10.927 -1.963 161 2HB SER 22 HB1 SER 22 17.637 10.817 -1.477 162 HG SER 22 HG SER 22 17.944 8.789 -1.020 163 H CYS 23 HN CYS 23 17.247 7.917 -3.941 164 HA CYS 23 HA CYS 23 14.380 8.416 -3.348 165 1HB CYS 23 HB2 CYS 23 15.566 7.483 -5.982 166 2HB CYS 23 HB1 CYS 23 13.970 6.958 -5.518 167 NH1 ARG 24 NH1 ARG 24 19.862 5.000 3.212 168 NH2 ARG 24 NH2 ARG 24 19.561 7.242 3.457 169 H ARG 24 HN ARG 24 14.988 7.127 -1.510 170 HA ARG 24 HA ARG 24 15.936 4.393 -1.916 171 1HB ARG 24 HB2 ARG 24 15.059 6.061 0.450 172 2HB ARG 24 HB1 ARG 24 15.312 4.330 0.641 173 1HG ARG 24 HG1 ARG 24 17.601 4.479 0.100 174 2HG ARG 24 HG2 ARG 24 17.411 6.040 -0.689 175 1HD ARG 24 HD1 ARG 24 17.018 7.136 1.453 176 2HD ARG 24 HD2 ARG 24 17.009 5.580 2.288 177 HE ARG 24 HE ARG 24 19.470 6.267 0.789 178 1HH1 ARG 24 HH11 ARG 24 19.756 4.181 2.648 179 2HH1 ARG 24 HH12 ARG 24 20.285 4.934 4.114 180 1HH2 ARG 24 HH21 ARG 24 19.230 8.104 3.077 181 2HH2 ARG 24 HH22 ARG 24 19.977 7.222 4.365 182 H SER 25 HN SER 25 14.825 2.578 -0.863 183 HA SER 25 HA SER 25 11.853 2.705 -1.090 184 1HB SER 25 HB2 SER 25 13.597 0.454 -2.235 185 2HB SER 25 HB1 SER 25 11.841 0.630 -2.419 186 HG SER 25 HG SER 25 13.583 2.723 -3.137 187 H SER 26 HN SER 26 10.764 1.052 0.114 188 HA SER 26 HA SER 26 12.036 0.454 2.627 189 1HB SER 26 HB2 SER 26 9.485 0.695 2.091 190 2HB SER 26 HB1 SER 26 9.577 -0.993 1.551 191 HG SER 26 HG SER 26 10.063 0.111 4.092 192 H GLN 27 HN GLN 27 11.060 -1.635 -0.075 193 HA GLN 27 HA GLN 27 12.990 -3.678 0.949 194 1HB GLN 27 HB2 GLN 27 10.256 -3.963 0.628 195 2HB GLN 27 HB1 GLN 27 10.839 -4.534 -0.931 196 1HG GLN 27 HG1 GLN 27 12.204 -6.222 0.095 197 2HG GLN 27 HG2 GLN 27 11.992 -5.514 1.695 198 1HE2 GLN 27 HE22 GLN 27 9.203 -8.070 0.246 199 2HE2 GLN 27 HE21 GLN 27 10.592 -7.677 -0.647 200 H SER 28 HN SER 28 13.808 -5.134 -0.818 201 HA SER 28 HA SER 28 15.059 -3.548 -2.859 202 1HB SER 28 HB2 SER 28 14.749 -6.585 -2.576 203 2HB SER 28 HB1 SER 28 15.875 -5.790 -3.694 204 HG SER 28 HG SER 28 16.429 -6.338 -1.274 205 H LEU 29 HN LEU 29 14.248 -2.891 -4.742 206 HA LEU 29 HA LEU 29 11.659 -3.894 -5.656 207 1HB LEU 29 HB2 LEU 29 13.620 -1.918 -6.908 208 2HB LEU 29 HB1 LEU 29 11.994 -2.214 -7.500 209 HG LEU 29 HG LEU 29 12.690 -1.194 -4.726 210 1HD1 LEU 29 HD12 LEU 29 12.937 0.330 -6.845 211 2HD1 LEU 29 HD13 LEU 29 11.177 0.300 -6.869 212 3HD1 LEU 29 HD11 LEU 29 12.027 0.944 -5.469 213 1HD2 LEU 29 HD23 LEU 29 10.161 -2.119 -6.035 214 2HD2 LEU 29 HD21 LEU 29 10.654 -2.231 -4.348 215 3HD2 LEU 29 HD22 LEU 29 10.061 -0.704 -4.992 216 H VAL 30 HN VAL 30 13.855 -5.795 -5.638 217 HA VAL 30 HA VAL 30 14.335 -6.249 -8.534 218 HB VAL 30 HB VAL 30 15.379 -7.763 -6.091 219 1HG1 VAL 30 HG13 VAL 30 16.193 -7.779 -9.022 220 2HG1 VAL 30 HG11 VAL 30 17.070 -8.606 -7.739 221 3HG1 VAL 30 HG12 VAL 30 15.433 -9.106 -8.149 222 1HG2 VAL 30 HG21 VAL 30 16.690 -5.612 -7.796 223 2HG2 VAL 30 HG22 VAL 30 16.162 -5.415 -6.128 224 3HG2 VAL 30 HG23 VAL 30 17.485 -6.512 -6.508 225 H HIS 31 HN HIS 31 13.271 -7.752 -9.655 226 HA HIS 31 HA HIS 31 11.125 -9.249 -8.325 227 1HB HIS 31 HB2 HIS 31 11.144 -8.067 -10.692 228 2HB HIS 31 HB1 HIS 31 11.908 -9.557 -11.233 229 HD2 HIS 31 HD2 HIS 31 8.439 -8.221 -10.157 230 HE1 HIS 31 HE1 HIS 31 8.034 -12.275 -10.859 231 H SER 32 HN SER 32 10.771 -11.559 -8.928 232 HA SER 32 HA SER 32 12.890 -13.186 -7.982 233 1HB SER 32 HB2 SER 32 10.461 -13.922 -9.698 234 2HB SER 32 HB1 SER 32 11.453 -15.090 -8.801 235 HG SER 32 HG SER 32 10.411 -14.505 -7.076 236 H ASN 33 HN ASN 33 12.139 -12.137 -11.230 237 HA ASN 33 HA ASN 33 13.899 -14.116 -12.477 238 1HB ASN 33 HB2 ASN 33 13.574 -12.390 -14.478 239 2HB ASN 33 HB1 ASN 33 12.212 -13.380 -13.964 240 1HD2 ASN 33 HD22 ASN 33 10.291 -10.624 -12.953 241 2HD2 ASN 33 HD21 ASN 33 10.364 -12.292 -13.255 242 H GLY 34 HN GLY 34 14.398 -11.249 -10.802 243 1HA GLY 34 HA1 GLY 34 16.608 -10.446 -10.253 244 2HA GLY 34 HA2 GLY 34 17.218 -11.181 -11.727 245 H ASN 35 HN ASN 35 14.455 -9.643 -12.622 246 HA ASN 35 HA ASN 35 16.001 -7.418 -13.769 247 1HB ASN 35 HB2 ASN 35 13.085 -8.285 -14.012 248 2HB ASN 35 HB1 ASN 35 13.735 -6.877 -14.841 249 1HD2 ASN 35 HD22 ASN 35 14.851 -8.863 -17.495 250 2HD2 ASN 35 HD21 ASN 35 14.179 -7.399 -16.963 251 H THR 36 HN THR 36 15.712 -5.265 -13.349 252 HA THR 36 HA THR 36 14.324 -4.643 -10.785 253 HB THR 36 HB THR 36 16.238 -2.816 -12.343 254 HG1 THR 36 HG1 THR 36 16.602 -5.175 -10.957 255 1HG2 THR 36 HG21 THR 36 15.473 -3.185 -9.391 256 2HG2 THR 36 HG22 THR 36 16.790 -2.148 -9.930 257 3HG2 THR 36 HG23 THR 36 15.130 -1.764 -10.373 258 OH TYR 37 OH TYR 37 10.514 -7.420 -14.932 259 H TYR 37 HN TYR 37 13.021 -2.707 -10.641 260 HA TYR 37 HA TYR 37 12.071 -1.656 -13.264 261 1HB TYR 37 HB2 TYR 37 10.306 -2.711 -11.004 262 2HB TYR 37 HB1 TYR 37 9.704 -1.885 -12.437 263 HD1 TYR 37 HD2 TYR 37 11.049 -2.935 -14.677 264 HD2 TYR 37 HD1 TYR 37 9.960 -5.021 -11.134 265 HE1 TYR 37 HE2 TYR 37 11.053 -5.048 -15.920 266 HE2 TYR 37 HE1 TYR 37 9.959 -7.134 -12.381 267 HH TYR 37 HH TYR 37 11.017 -8.061 -14.424 268 H LEU 38 HN LEU 38 13.082 0.305 -12.826 269 HA LEU 38 HA LEU 38 11.511 2.106 -11.129 270 1HB LEU 38 HB2 LEU 38 13.217 1.141 -9.549 271 2HB LEU 38 HB1 LEU 38 14.498 1.702 -10.617 272 HG LEU 38 HG LEU 38 12.618 3.851 -10.013 273 1HD1 LEU 38 HD13 LEU 38 13.893 2.336 -7.730 274 2HD1 LEU 38 HD11 LEU 38 13.470 4.039 -7.589 275 3HD1 LEU 38 HD12 LEU 38 12.215 2.842 -7.894 276 1HD2 LEU 38 HD23 LEU 38 15.580 3.337 -9.848 277 2HD2 LEU 38 HD21 LEU 38 14.716 4.520 -10.825 278 3HD2 LEU 38 HD22 LEU 38 14.907 4.778 -9.093 279 H ASN 39 HN ASN 39 11.471 4.109 -11.963 280 HA ASN 39 HA ASN 39 13.576 4.813 -13.966 281 1HB ASN 39 HB2 ASN 39 11.662 5.970 -15.242 282 2HB ASN 39 HB1 ASN 39 11.605 4.211 -15.253 283 1HD2 ASN 39 HD22 ASN 39 8.401 6.091 -13.983 284 2HD2 ASN 39 HD21 ASN 39 9.561 6.700 -15.061 285 CH2 TRP 40 CH2 TRP 40 16.211 10.168 -8.170 286 H TRP 40 HN TRP 40 13.571 7.166 -14.482 287 HA TRP 40 HA TRP 40 13.033 8.756 -12.007 288 1HB TRP 40 HB2 TRP 40 15.312 8.708 -14.001 289 2HB TRP 40 HB1 TRP 40 14.968 10.203 -13.136 290 HD1 TRP 40 HD1 TRP 40 16.310 6.641 -12.584 291 HE1 TRP 40 HE1 TRP 40 17.265 6.621 -10.241 292 HE3 TRP 40 HE3 TRP 40 14.652 11.043 -11.025 293 HZ2 TRP 40 HZ2 TRP 40 17.275 8.341 -7.858 294 HZ3 TRP 40 HZ3 TRP 40 15.084 11.885 -8.756 295 HH2 TRP 40 HH2 TRP 40 16.409 10.542 -7.177 296 OH TYR 41 OH TYR 41 7.426 7.359 -15.758 297 H TYR 41 HN TYR 41 12.753 11.128 -12.450 298 HA TYR 41 HA TYR 41 11.664 11.717 -15.149 299 1HB TYR 41 HB2 TYR 41 10.128 11.807 -12.525 300 2HB TYR 41 HB1 TYR 41 9.620 12.761 -13.912 301 HD1 TYR 41 HD1 TYR 41 9.936 11.100 -16.211 302 HD2 TYR 41 HD2 TYR 41 8.787 9.920 -12.288 303 HE1 TYR 41 HE1 TYR 41 8.755 9.159 -17.137 304 HE2 TYR 41 HE2 TYR 41 7.602 7.987 -13.218 305 HH TYR 41 HH TYR 41 6.889 7.667 -16.492 306 H LEU 42 HN LEU 42 11.247 13.962 -15.509 307 HA LEU 42 HA LEU 42 12.308 15.917 -13.568 308 1HB LEU 42 HB2 LEU 42 14.362 15.342 -14.739 309 2HB LEU 42 HB1 LEU 42 13.544 15.313 -16.293 310 HG LEU 42 HG LEU 42 13.133 17.762 -16.114 311 1HD1 LEU 42 HD12 LEU 42 14.088 17.241 -13.388 312 2HD1 LEU 42 HD13 LEU 42 14.920 18.594 -14.146 313 3HD1 LEU 42 HD11 LEU 42 13.166 18.608 -14.005 314 1HD2 LEU 42 HD23 LEU 42 15.994 16.805 -15.795 315 2HD2 LEU 42 HD21 LEU 42 15.131 17.102 -17.300 316 3HD2 LEU 42 HD22 LEU 42 15.577 18.450 -16.260 317 H GLN 43 HN GLN 43 11.189 17.793 -13.734 318 HA GLN 43 HA GLN 43 9.740 18.315 -16.288 319 1HB GLN 43 HB2 GLN 43 8.636 17.826 -13.576 320 2HB GLN 43 HB1 GLN 43 7.996 19.272 -14.348 321 1HG GLN 43 HG1 GLN 43 8.163 16.674 -15.882 322 2HG GLN 43 HG2 GLN 43 6.806 16.985 -14.805 323 1HE2 GLN 43 HE22 GLN 43 5.265 18.573 -17.558 324 2HE2 GLN 43 HE21 GLN 43 5.218 17.283 -16.455 325 H LYS 44 HN LYS 44 9.157 20.491 -16.648 326 HA LYS 44 HA LYS 44 10.894 22.403 -15.148 327 1HB LYS 44 HB2 LYS 44 11.173 21.927 -17.710 328 2HB LYS 44 HB1 LYS 44 9.695 22.857 -17.909 329 1HG LYS 44 HG1 LYS 44 11.224 24.587 -18.063 330 2HG LYS 44 HG2 LYS 44 11.019 24.568 -16.315 331 1HD LYS 44 HD1 LYS 44 12.962 22.600 -16.817 332 2HD LYS 44 HD2 LYS 44 13.384 23.922 -17.899 333 1HE LYS 44 HE1 LYS 44 12.968 24.093 -14.896 334 2HE LYS 44 HE2 LYS 44 14.486 24.297 -15.763 335 1HZ LYS 44 HZ1 LYS 44 13.795 26.310 -16.661 336 2HZ LYS 44 HZ2 LYS 44 12.158 26.030 -16.312 337 H ALA 45 HN ALA 45 9.118 24.332 -16.979 338 HA ALA 45 HA ALA 45 7.370 25.080 -14.754 339 1HB ALA 45 HB3 ALA 45 8.520 26.785 -16.186 340 2HB ALA 45 HB1 ALA 45 7.611 26.217 -17.582 341 3HB ALA 45 HB2 ALA 45 6.772 26.991 -16.241 342 H GLY 46 HN GLY 46 6.819 24.189 -18.167 343 1HA GLY 46 HA1 GLY 46 4.430 22.669 -17.451 344 2HA GLY 46 HA2 GLY 46 4.052 24.180 -18.274 345 H GLN 47 HN GLN 47 6.771 21.990 -18.763 346 HA GLN 47 HA GLN 47 6.024 21.810 -21.642 347 1HB GLN 47 HB2 GLN 47 8.403 22.476 -20.514 348 2HB GLN 47 HB1 GLN 47 8.614 20.730 -20.556 349 1HG GLN 47 HG1 GLN 47 7.644 21.171 -23.075 350 2HG GLN 47 HG2 GLN 47 8.512 22.677 -22.794 351 1HE2 GLN 47 HE22 GLN 47 10.699 19.191 -22.641 352 2HE2 GLN 47 HE21 GLN 47 9.085 19.171 -22.115 353 H SER 48 HN SER 48 6.858 19.636 -22.622 354 HA SER 48 HA SER 48 5.217 17.543 -21.599 355 1HB SER 48 HB2 SER 48 7.680 17.092 -23.350 356 2HB SER 48 HB1 SER 48 6.120 16.250 -23.424 357 HG SER 48 HG SER 48 5.736 17.751 -24.886 358 HA PRO 49 HA PRO 49 7.541 15.676 -18.416 359 1HB PRO 49 HB2 PRO 49 7.133 12.958 -19.371 360 2HB PRO 49 HB1 PRO 49 6.290 13.777 -18.056 361 1HG PRO 49 HG1 PRO 49 5.271 13.144 -20.685 362 2HG PRO 49 HG2 PRO 49 4.423 13.948 -19.364 363 1HD PRO 49 HD1 PRO 49 5.387 15.131 -21.806 364 2HD PRO 49 HD2 PRO 49 4.581 15.949 -20.455 365 H LYS 50 HN LYS 50 9.626 14.950 -18.053 366 HA LYS 50 HA LYS 50 11.154 14.102 -20.485 367 1HB LYS 50 HB2 LYS 50 11.524 16.369 -18.821 368 2HB LYS 50 HB1 LYS 50 12.804 15.254 -18.357 369 1HG LYS 50 HG1 LYS 50 13.556 15.066 -20.663 370 2HG LYS 50 HG2 LYS 50 12.181 16.005 -21.232 371 1HD LYS 50 HD1 LYS 50 13.003 17.941 -19.850 372 2HD LYS 50 HD2 LYS 50 14.434 16.998 -19.452 373 1HE LYS 50 HE1 LYS 50 15.257 18.084 -21.313 374 2HE LYS 50 HE2 LYS 50 14.504 16.718 -22.127 375 1HZ LYS 50 HZ1 LYS 50 13.517 19.482 -21.863 376 2HZ LYS 50 HZ2 LYS 50 13.698 18.540 -23.265 377 H LEU 51 HN LEU 51 12.359 12.318 -20.366 378 HA LEU 51 HA LEU 51 12.584 10.954 -17.707 379 1HB LEU 51 HB2 LEU 51 11.092 9.709 -19.186 380 2HB LEU 51 HB1 LEU 51 12.203 9.870 -20.536 381 HG LEU 51 HG LEU 51 13.841 8.617 -18.761 382 1HD1 LEU 51 HD11 LEU 51 11.860 8.527 -17.132 383 2HD1 LEU 51 HD12 LEU 51 11.112 7.393 -18.252 384 3HD1 LEU 51 HD13 LEU 51 12.637 6.986 -17.474 385 1HD2 LEU 51 HD21 LEU 51 13.142 7.990 -21.140 386 2HD2 LEU 51 HD22 LEU 51 13.459 6.637 -20.060 387 3HD2 LEU 51 HD23 LEU 51 11.801 7.107 -20.416 388 H LEU 52 HN LEU 52 14.598 10.623 -17.008 389 HA LEU 52 HA LEU 52 16.846 10.991 -18.933 390 1HB LEU 52 HB2 LEU 52 16.644 11.061 -15.887 391 2HB LEU 52 HB1 LEU 52 18.195 11.057 -16.711 392 HG LEU 52 HG LEU 52 17.797 13.351 -16.395 393 1HD1 LEU 52 HD11 LEU 52 18.115 12.645 -18.862 394 2HD1 LEU 52 HD12 LEU 52 16.398 12.991 -19.051 395 3HD1 LEU 52 HD13 LEU 52 17.506 14.269 -18.563 396 1HD2 LEU 52 HD22 LEU 52 15.476 13.070 -15.549 397 2HD2 LEU 52 HD23 LEU 52 15.600 14.415 -16.679 398 3HD2 LEU 52 HD21 LEU 52 14.907 12.885 -17.205 399 H ILE 53 HN ILE 53 15.807 8.866 -16.308 400 HA ILE 53 HA ILE 53 17.306 6.623 -17.603 401 HB ILE 53 HB ILE 53 16.970 7.065 -14.605 402 1HG1 ILE 53 HG11 ILE 53 18.395 8.832 -15.669 403 2HG1 ILE 53 HG12 ILE 53 19.231 7.844 -14.480 404 1HG2 ILE 53 HG22 ILE 53 18.459 5.081 -16.340 405 2HG2 ILE 53 HG23 ILE 53 19.008 5.402 -14.700 406 3HG2 ILE 53 HG21 ILE 53 17.396 4.755 -14.979 407 1HD1 ILE 53 HD12 ILE 53 19.366 6.630 -17.107 408 2HD1 ILE 53 HD13 ILE 53 20.007 8.267 -17.142 409 3HD1 ILE 53 HD11 ILE 53 20.679 7.080 -16.028 410 OH TYR 54 OH TYR 54 17.458 1.497 -21.821 411 H TYR 54 HN TYR 54 16.136 4.748 -17.777 412 HA TYR 54 HA TYR 54 13.443 4.762 -16.457 413 1HB TYR 54 HB2 TYR 54 12.722 3.317 -18.396 414 2HB TYR 54 HB1 TYR 54 13.280 4.903 -18.916 415 HD1 TYR 54 HD1 TYR 54 14.215 1.330 -18.665 416 HD2 TYR 54 HD2 TYR 54 15.294 5.139 -20.224 417 HE1 TYR 54 HE1 TYR 54 15.875 0.263 -20.122 418 HE2 TYR 54 HE2 TYR 54 16.952 4.068 -21.681 419 HH TYR 54 HH TYR 54 18.000 0.914 -21.284 420 H LYS 55 HN LYS 55 16.402 3.228 -16.577 421 HA LYS 55 HA LYS 55 15.352 0.984 -14.952 422 1HB LYS 55 HB2 LYS 55 16.642 0.800 -17.652 423 2HB LYS 55 HB1 LYS 55 17.250 -0.333 -16.452 424 1HG LYS 55 HG1 LYS 55 14.292 -0.071 -16.568 425 2HG LYS 55 HG2 LYS 55 15.040 -0.795 -17.987 426 1HD LYS 55 HD1 LYS 55 16.195 -2.442 -16.562 427 2HD LYS 55 HD2 LYS 55 15.505 -1.701 -15.123 428 1HE LYS 55 HE1 LYS 55 14.225 -3.714 -15.846 429 2HE LYS 55 HE2 LYS 55 13.242 -2.255 -15.882 430 1HZ LYS 55 HZ1 LYS 55 13.181 -3.827 -17.883 431 2HZ LYS 55 HZ2 LYS 55 13.315 -2.157 -18.174 432 H VAL 56 HN VAL 56 16.345 1.671 -13.152 433 HA VAL 56 HA VAL 56 17.999 2.417 -11.700 434 HB VAL 56 HB VAL 56 18.359 0.010 -11.658 435 1HG1 VAL 56 HG13 VAL 56 18.776 -0.175 -14.194 436 2HG1 VAL 56 HG11 VAL 56 20.445 0.253 -13.833 437 3HG1 VAL 56 HG12 VAL 56 19.740 -1.205 -13.153 438 1HG2 VAL 56 HG23 VAL 56 19.975 1.487 -10.461 439 2HG2 VAL 56 HG21 VAL 56 20.688 -0.050 -10.940 440 3HG2 VAL 56 HG22 VAL 56 21.043 1.410 -11.859 441 H SER 57 HN SER 57 20.086 1.643 -14.527 442 HA SER 57 HA SER 57 21.162 4.425 -14.247 443 1HB SER 57 HB2 SER 57 23.380 3.528 -14.822 444 2HB SER 57 HB1 SER 57 22.723 2.470 -13.558 445 HG SER 57 HG SER 57 23.503 1.436 -15.586 446 H ASN 58 HN ASN 58 20.039 1.937 -16.356 447 HA ASN 58 HA ASN 58 20.969 2.644 -18.873 448 1HB ASN 58 HB2 ASN 58 18.555 1.366 -17.746 449 2HB ASN 58 HB1 ASN 58 18.260 2.112 -19.310 450 1HD2 ASN 58 HD22 ASN 58 21.342 -0.591 -19.362 451 2HD2 ASN 58 HD21 ASN 58 21.319 0.630 -18.184 452 NH1 ARG 59 NH2 ARG 59 24.713 7.011 -21.169 453 NH2 ARG 59 NH1 ARG 59 25.083 9.182 -21.727 454 H ARG 59 HN ARG 59 21.184 4.680 -19.582 455 HA ARG 59 HA ARG 59 19.203 6.749 -19.012 456 1HB ARG 59 HB2 ARG 59 21.355 6.960 -21.140 457 2HB ARG 59 HB1 ARG 59 20.726 8.227 -20.095 458 1HG ARG 59 HG1 ARG 59 21.715 6.756 -18.153 459 2HG ARG 59 HG2 ARG 59 22.684 6.035 -19.432 460 1HD ARG 59 HD1 ARG 59 22.643 8.914 -18.507 461 2HD ARG 59 HD2 ARG 59 24.027 7.835 -18.659 462 HE ARG 59 HE ARG 59 22.647 9.201 -20.920 463 1HH1 ARG 59 HH21 ARG 59 24.143 6.333 -20.710 464 2HH1 ARG 59 HH22 ARG 59 25.540 6.727 -21.652 465 1HH2 ARG 59 HH11 ARG 59 24.790 10.136 -21.689 466 2HH2 ARG 59 HH12 ARG 59 25.917 8.935 -22.221 467 H PHE 60 HN PHE 60 18.106 7.973 -20.688 468 HA PHE 60 HA PHE 60 16.882 6.160 -22.643 469 1HB PHE 60 HB2 PHE 60 15.450 7.758 -21.443 470 2HB PHE 60 HB1 PHE 60 16.438 9.110 -21.982 471 HD1 PHE 60 HD1 PHE 60 14.196 6.395 -23.205 472 HD2 PHE 60 HD2 PHE 60 16.055 10.120 -24.107 473 HE1 PHE 60 HE1 PHE 60 12.837 6.583 -25.241 474 HE2 PHE 60 HE2 PHE 60 14.692 10.306 -26.141 475 HZ PHE 60 HZ PHE 60 13.082 8.539 -26.710 476 H SER 61 HN SER 61 16.681 6.681 -24.902 477 HA SER 61 HA SER 61 19.199 7.281 -26.134 478 1HB SER 61 HB2 SER 61 17.692 7.329 -28.269 479 2HB SER 61 HB1 SER 61 17.598 5.841 -27.306 480 HG SER 61 HG SER 61 15.930 8.115 -26.949 481 H GLY 62 HN GLY 62 19.767 9.331 -25.295 482 1HA GLY 62 HA1 GLY 62 19.784 11.547 -26.756 483 2HA GLY 62 HA2 GLY 62 18.124 11.650 -26.175 484 H VAL 63 HN VAL 63 19.576 10.170 -23.733 485 HA VAL 63 HA VAL 63 19.884 12.668 -22.207 486 HB VAL 63 HB VAL 63 20.023 9.720 -21.417 487 1HG1 VAL 63 HG11 VAL 63 20.187 12.270 -19.792 488 2HG1 VAL 63 HG12 VAL 63 19.675 10.745 -19.077 489 3HG1 VAL 63 HG13 VAL 63 21.287 10.895 -19.767 490 1HG2 VAL 63 HG22 VAL 63 17.801 10.629 -22.200 491 2HG2 VAL 63 HG23 VAL 63 17.790 10.078 -20.530 492 3HG2 VAL 63 HG21 VAL 63 17.875 11.798 -20.888 493 HA PRO 64 HA PRO 64 24.264 12.609 -23.020 494 1HB PRO 64 HB2 PRO 64 24.629 14.695 -21.052 495 2HB PRO 64 HB1 PRO 64 24.601 14.870 -22.806 496 1HG PRO 64 HG1 PRO 64 22.565 15.659 -20.897 497 2HG PRO 64 HG2 PRO 64 22.578 15.921 -22.641 498 1HD PRO 64 HD1 PRO 64 20.961 14.059 -21.164 499 2HD PRO 64 HD2 PRO 64 21.024 14.272 -22.923 500 H ASP 65 HN ASP 65 26.151 12.025 -21.880 501 HA ASP 65 HA ASP 65 25.808 10.186 -19.746 502 1HB ASP 65 HB2 ASP 65 28.323 11.730 -20.543 503 2HB ASP 65 HB1 ASP 65 28.290 10.222 -19.631 504 NH1 ARG 66 NH2 ARG 66 27.500 18.230 -21.859 505 NH2 ARG 66 NH1 ARG 66 27.019 20.217 -20.873 506 H ARG 66 HN ARG 66 25.663 13.523 -19.609 507 HA ARG 66 HA ARG 66 26.986 14.082 -17.144 508 1HB ARG 66 HB2 ARG 66 24.535 15.334 -18.476 509 2HB ARG 66 HB1 ARG 66 25.337 16.038 -17.076 510 1HG ARG 66 HG1 ARG 66 27.419 16.279 -18.322 511 2HG ARG 66 HG2 ARG 66 26.745 15.410 -19.695 512 1HD ARG 66 HD1 ARG 66 25.441 17.208 -20.367 513 2HD ARG 66 HD2 ARG 66 25.259 17.824 -18.725 514 HE ARG 66 HE ARG 66 27.727 18.520 -18.947 515 1HH1 ARG 66 HH21 ARG 66 27.632 17.244 -21.774 516 2HH1 ARG 66 HH22 ARG 66 27.596 18.674 -22.748 517 1HH2 ARG 66 HH11 ARG 66 26.790 20.726 -20.045 518 2HH2 ARG 66 HH12 ARG 66 27.095 20.695 -21.745 519 H PHE 67 HN PHE 67 23.918 12.637 -17.905 520 HA PHE 67 HA PHE 67 23.102 12.658 -15.043 521 1HB PHE 67 HB2 PHE 67 21.711 12.082 -17.681 522 2HB PHE 67 HB1 PHE 67 20.991 11.541 -16.168 523 HD1 PHE 67 HD1 PHE 67 22.047 14.511 -18.102 524 HD2 PHE 67 HD2 PHE 67 20.078 13.131 -14.585 525 HE1 PHE 67 HE1 PHE 67 21.170 16.774 -17.698 526 HE2 PHE 67 HE2 PHE 67 19.213 15.393 -14.183 527 HZ PHE 67 HZ PHE 67 19.761 17.216 -15.734 528 H SER 68 HN SER 68 23.246 10.891 -13.811 529 HA SER 68 HA SER 68 23.465 8.230 -15.115 530 1HB SER 68 HB2 SER 68 25.781 9.436 -14.469 531 2HB SER 68 HB1 SER 68 25.368 8.853 -12.845 532 HG SER 68 HG SER 68 25.506 6.836 -13.515 533 H GLY 69 HN GLY 69 22.454 6.660 -14.011 534 1HA GLY 69 HA1 GLY 69 21.452 7.353 -11.277 535 2HA GLY 69 HA2 GLY 69 20.515 6.415 -12.434 536 H SER 70 HN SER 70 21.855 5.934 -9.666 537 HA SER 70 HA SER 70 22.494 3.131 -10.231 538 1HB SER 70 HB2 SER 70 24.679 4.477 -10.604 539 2HB SER 70 HB1 SER 70 24.640 4.831 -8.866 540 HG SER 70 HG SER 70 25.572 2.674 -9.917 541 H GLY 71 HN GLY 71 23.445 2.186 -8.010 542 1HA GLY 71 HA1 GLY 71 23.188 2.798 -5.492 543 2HA GLY 71 HA2 GLY 71 21.513 3.119 -5.933 544 H SER 72 HN SER 72 21.532 1.338 -4.083 545 HA SER 72 HA SER 72 21.921 -1.377 -5.191 546 1HB SER 72 HB2 SER 72 22.536 -0.715 -2.770 547 2HB SER 72 HB1 SER 72 20.793 -0.634 -2.446 548 HG SER 72 HG SER 72 22.059 -2.769 -2.263 549 H GLY 73 HN GLY 73 20.031 -2.933 -4.320 550 1HA GLY 73 HA1 GLY 73 17.768 -2.375 -5.986 551 2HA GLY 73 HA2 GLY 73 17.832 -3.654 -4.774 552 H THR 74 HN THR 74 18.587 -1.337 -2.867 553 HA THR 74 HA THR 74 15.787 -0.396 -2.386 554 HB THR 74 HB THR 74 16.554 -0.336 0.082 555 HG1 THR 74 HG1 THR 74 18.713 -0.379 -0.099 556 1HG2 THR 74 HG23 THR 74 16.659 -2.964 -1.489 557 2HG2 THR 74 HG21 THR 74 16.748 -2.919 0.268 558 3HG2 THR 74 HG22 THR 74 15.299 -2.351 -0.554 559 H ASP 75 HN ASP 75 18.290 0.744 -3.745 560 HA ASP 75 HA ASP 75 17.929 3.443 -2.630 561 1HB ASP 75 HB2 ASP 75 20.274 1.755 -2.082 562 2HB ASP 75 HB1 ASP 75 20.738 3.255 -2.879 563 H PHE 76 HN PHE 76 17.746 4.784 -4.276 564 HA PHE 76 HA PHE 76 19.380 4.284 -6.726 565 1HB PHE 76 HB2 PHE 76 16.478 5.246 -6.759 566 2HB PHE 76 HB1 PHE 76 17.436 4.697 -8.134 567 HD1 PHE 76 HD2 PHE 76 18.364 2.235 -7.951 568 HD2 PHE 76 HD1 PHE 76 15.087 3.700 -5.659 569 HE1 PHE 76 HE2 PHE 76 17.626 -0.068 -7.534 570 HE2 PHE 76 HE1 PHE 76 14.343 1.393 -5.255 571 HZ PHE 76 HZ PHE 76 15.606 -0.490 -6.201 572 H THR 77 HN THR 77 20.413 6.074 -7.424 573 HA THR 77 HA THR 77 19.398 8.706 -6.446 574 HB THR 77 HB THR 77 22.353 7.906 -6.648 575 HG1 THR 77 HG1 THR 77 20.371 7.790 -4.639 576 1HG2 THR 77 HG23 THR 77 21.483 10.442 -6.547 577 2HG2 THR 77 HG21 THR 77 21.095 10.040 -4.878 578 3HG2 THR 77 HG22 THR 77 22.758 9.942 -5.443 579 H LEU 78 HN LEU 78 19.699 10.466 -7.736 580 HA LEU 78 HA LEU 78 20.448 9.879 -10.569 581 1HB LEU 78 HB2 LEU 78 18.107 10.805 -9.898 582 2HB LEU 78 HB1 LEU 78 18.934 12.301 -9.490 583 HG LEU 78 HG LEU 78 19.561 11.151 -12.170 584 1HD1 LEU 78 HD12 LEU 78 16.848 12.215 -11.351 585 2HD1 LEU 78 HD13 LEU 78 17.427 12.377 -13.005 586 3HD1 LEU 78 HD11 LEU 78 17.216 10.777 -12.300 587 1HD2 LEU 78 HD21 LEU 78 19.186 13.846 -10.871 588 2HD2 LEU 78 HD22 LEU 78 20.576 13.230 -11.759 589 3HD2 LEU 78 HD23 LEU 78 19.120 13.709 -12.624 590 H LYS 79 HN LYS 79 22.639 10.220 -10.507 591 HA LYS 79 HA LYS 79 23.661 12.714 -9.281 592 1HB LYS 79 HB2 LYS 79 24.674 10.154 -9.393 593 2HB LYS 79 HB1 LYS 79 25.535 10.908 -10.729 594 1HG LYS 79 HG1 LYS 79 26.590 12.474 -9.341 595 2HG LYS 79 HG2 LYS 79 25.350 12.357 -8.099 596 1HD LYS 79 HD1 LYS 79 26.724 9.806 -8.602 597 2HD LYS 79 HD2 LYS 79 27.801 11.071 -8.023 598 1HE LYS 79 HE1 LYS 79 26.681 11.288 -5.994 599 2HE LYS 79 HE2 LYS 79 25.153 10.720 -6.658 600 1HZ LYS 79 HZ1 LYS 79 27.359 9.211 -5.548 601 2HZ LYS 79 HZ2 LYS 79 25.702 8.832 -5.621 602 H ILE 80 HN ILE 80 24.552 14.353 -10.343 603 HA ILE 80 HA ILE 80 24.648 14.210 -13.324 604 HB ILE 80 HB ILE 80 23.824 16.589 -11.587 605 1HG1 ILE 80 HG11 ILE 80 22.141 14.870 -13.445 606 2HG1 ILE 80 HG12 ILE 80 22.105 14.786 -11.688 607 1HG2 ILE 80 HG23 ILE 80 25.009 17.043 -13.831 608 2HG2 ILE 80 HG21 ILE 80 23.650 16.247 -14.619 609 3HG2 ILE 80 HG22 ILE 80 23.394 17.729 -13.701 610 1HD1 ILE 80 HD13 ILE 80 21.628 17.348 -11.795 611 2HD1 ILE 80 HD11 ILE 80 21.214 17.048 -13.480 612 3HD1 ILE 80 HD12 ILE 80 20.314 16.246 -12.196 613 H SER 81 HN SER 81 26.445 14.872 -14.246 614 HA SER 81 HA SER 81 28.719 15.298 -12.609 615 1HB SER 81 HB2 SER 81 28.290 15.845 -15.587 616 2HB SER 81 HB1 SER 81 29.878 15.869 -14.793 617 HG SER 81 HG SER 81 28.021 13.718 -14.876 618 NH1 ARG 82 NH1 ARG 82 32.698 20.072 -16.089 619 NH2 ARG 82 NH2 ARG 82 32.641 19.398 -18.261 620 H ARG 82 HN ARG 82 27.240 17.616 -14.877 621 HA ARG 82 HA ARG 82 28.029 19.754 -12.957 622 1HB ARG 82 HB2 ARG 82 28.267 21.136 -15.239 623 2HB ARG 82 HB1 ARG 82 29.607 20.166 -14.648 624 1HG ARG 82 HG1 ARG 82 28.673 18.249 -16.073 625 2HG ARG 82 HG2 ARG 82 27.614 19.444 -16.813 626 1HD ARG 82 HD1 ARG 82 29.441 19.567 -18.257 627 2HD ARG 82 HD2 ARG 82 29.900 20.795 -17.079 628 HE ARG 82 HE ARG 82 30.852 18.055 -16.509 629 1HH1 ARG 82 HH11 ARG 82 32.249 20.115 -15.197 630 2HH1 ARG 82 HH12 ARG 82 33.600 20.481 -16.217 631 1HH2 ARG 82 HH21 ARG 82 32.152 18.934 -18.999 632 2HH2 ARG 82 HH22 ARG 82 33.540 19.797 -18.432 633 H VAL 83 HN VAL 83 26.174 20.426 -12.167 634 HA VAL 83 HA VAL 83 23.665 20.301 -13.556 635 HB VAL 83 HB VAL 83 24.553 21.902 -11.111 636 1HG1 VAL 83 HG13 VAL 83 21.912 21.616 -12.511 637 2HG1 VAL 83 HG11 VAL 83 21.916 21.678 -10.751 638 3HG1 VAL 83 HG12 VAL 83 22.587 23.014 -11.679 639 1HG2 VAL 83 HG22 VAL 83 24.323 19.177 -11.413 640 2HG2 VAL 83 HG23 VAL 83 24.113 20.024 -9.882 641 3HG2 VAL 83 HG21 VAL 83 22.707 19.603 -10.857 642 H GLU 84 HN GLU 84 23.440 21.405 -15.370 643 HA GLU 84 HA GLU 84 24.467 24.165 -15.592 644 1HB GLU 84 HB2 GLU 84 22.816 22.755 -17.708 645 2HB GLU 84 HB1 GLU 84 24.139 23.895 -17.929 646 1HG GLU 84 HG1 GLU 84 25.518 21.967 -16.678 647 2HG GLU 84 HG2 GLU 84 24.243 20.956 -17.351 648 H ALA 85 HN ALA 85 22.574 25.272 -17.286 649 HA ALA 85 HA ALA 85 20.548 26.054 -15.345 650 1HB ALA 85 HB2 ALA 85 21.002 26.785 -18.273 651 2HB ALA 85 HB3 ALA 85 19.777 27.539 -17.257 652 3HB ALA 85 HB1 ALA 85 21.483 27.731 -16.868 653 H GLU 86 HN GLU 86 20.665 23.883 -18.071 654 HA GLU 86 HA GLU 86 17.773 23.751 -18.384 655 1HB GLU 86 HB2 GLU 86 18.342 21.704 -19.792 656 2HB GLU 86 HB1 GLU 86 19.178 23.167 -20.293 657 1HG GLU 86 HG1 GLU 86 21.205 22.463 -19.108 658 2HG GLU 86 HG2 GLU 86 20.372 21.049 -18.467 659 H ASP 87 HN ASP 87 20.162 22.009 -16.517 660 HA ASP 87 HA ASP 87 18.543 19.748 -15.826 661 1HB ASP 87 HB2 ASP 87 20.646 21.081 -14.060 662 2HB ASP 87 HB1 ASP 87 20.183 19.383 -14.055 663 H LEU 88 HN LEU 88 18.520 23.022 -14.755 664 HA LEU 88 HA LEU 88 17.392 22.749 -12.170 665 1HB LEU 88 HB2 LEU 88 16.894 24.885 -14.294 666 2HB LEU 88 HB1 LEU 88 16.488 25.056 -12.590 667 HG LEU 88 HG LEU 88 19.297 24.407 -13.525 668 1HD1 LEU 88 HD11 LEU 88 18.415 26.611 -14.443 669 2HD1 LEU 88 HD12 LEU 88 18.207 27.136 -12.774 670 3HD1 LEU 88 HD13 LEU 88 19.814 26.758 -13.386 671 1HD2 LEU 88 HD21 LEU 88 18.109 25.506 -10.951 672 2HD2 LEU 88 HD22 LEU 88 18.810 23.907 -11.172 673 3HD2 LEU 88 HD23 LEU 88 19.834 25.337 -11.257 674 H GLY 89 HN GLY 89 15.236 22.996 -11.444 675 1HA GLY 89 HA1 GLY 89 12.811 23.183 -12.359 676 2HA GLY 89 HA2 GLY 89 13.260 21.784 -13.331 677 H ILE 90 HN ILE 90 11.718 20.454 -12.386 678 HA ILE 90 HA ILE 90 12.209 19.781 -9.512 679 HB ILE 90 HB ILE 90 9.667 18.910 -10.820 680 1HG1 ILE 90 HG11 ILE 90 10.047 21.825 -10.070 681 2HG1 ILE 90 HG12 ILE 90 10.072 21.245 -11.732 682 1HG2 ILE 90 HG23 ILE 90 10.214 18.616 -8.379 683 2HG2 ILE 90 HG21 ILE 90 10.327 20.365 -8.211 684 3HG2 ILE 90 HG22 ILE 90 8.782 19.617 -8.600 685 1HD1 ILE 90 HD11 ILE 90 7.793 20.145 -11.184 686 2HD1 ILE 90 HD12 ILE 90 7.775 21.194 -9.770 687 3HD1 ILE 90 HD13 ILE 90 7.817 21.894 -11.386 688 OH TYR 91 OH TYR 91 17.692 17.092 -14.150 689 H TYR 91 HN TYR 91 12.608 17.674 -8.987 690 HA TYR 91 HA TYR 91 12.686 15.750 -11.286 691 1HB TYR 91 HB2 TYR 91 14.532 16.280 -8.965 692 2HB TYR 91 HB1 TYR 91 14.430 14.631 -9.575 693 HD1 TYR 91 HD2 TYR 91 15.115 14.123 -11.903 694 HD2 TYR 91 HD1 TYR 91 15.482 18.057 -10.327 695 HE1 TYR 91 HE2 TYR 91 16.612 14.723 -13.752 696 HE2 TYR 91 HE1 TYR 91 16.965 18.660 -12.181 697 HH TYR 91 HH TYR 91 17.431 17.971 -14.443 698 H PHE 92 HN PHE 92 12.147 13.596 -10.923 699 HA PHE 92 HA PHE 92 10.979 12.842 -8.308 700 1HB PHE 92 HB2 PHE 92 9.361 12.545 -10.879 701 2HB PHE 92 HB1 PHE 92 8.801 12.295 -9.231 702 HD1 PHE 92 HD1 PHE 92 9.779 14.839 -11.722 703 HD2 PHE 92 HD2 PHE 92 8.175 14.180 -7.831 704 HE1 PHE 92 HE1 PHE 92 9.045 17.176 -11.626 705 HE2 PHE 92 HE2 PHE 92 7.445 16.524 -7.737 706 HZ PHE 92 HZ PHE 92 7.876 18.023 -9.636 707 H CYS 93 HN CYS 93 10.088 10.500 -8.525 708 HA CYS 93 HA CYS 93 11.462 8.878 -10.562 709 1HB CYS 93 HB2 CYS 93 12.613 7.488 -8.838 710 2HB CYS 93 HB1 CYS 93 13.221 9.119 -8.895 711 H SER 94 HN SER 94 10.814 6.584 -10.447 712 HA SER 94 HA SER 94 8.513 5.998 -8.679 713 1HB SER 94 HB2 SER 94 8.064 5.538 -11.636 714 2HB SER 94 HB1 SER 94 6.876 5.922 -10.374 715 HG SER 94 HG SER 94 7.933 7.999 -10.221 716 H GLN 95 HN GLN 95 7.699 3.761 -8.980 717 HA GLN 95 HA GLN 95 9.861 1.988 -10.037 718 1HB GLN 95 HB2 GLN 95 9.470 0.476 -8.134 719 2HB GLN 95 HB1 GLN 95 9.810 2.085 -7.513 720 1HG GLN 95 HG1 GLN 95 7.895 1.787 -6.304 721 2HG GLN 95 HG2 GLN 95 7.071 2.183 -7.807 722 1HE2 GLN 95 HE22 GLN 95 7.153 -1.700 -6.498 723 2HE2 GLN 95 HE21 GLN 95 8.203 -0.555 -5.821 724 H THR 96 HN THR 96 9.218 -0.023 -10.821 725 HA THR 96 HA THR 96 6.295 -0.289 -11.392 726 HB THR 96 HB THR 96 7.745 -1.521 -13.549 727 HG1 THR 96 HG1 THR 96 8.629 1.129 -13.072 728 1HG2 THR 96 HG23 THR 96 6.204 1.071 -13.149 729 2HG2 THR 96 HG21 THR 96 7.076 0.832 -14.661 730 3HG2 THR 96 HG22 THR 96 5.798 -0.287 -14.196 731 H THR 97 HN THR 97 7.452 -1.450 -9.241 732 HA THR 97 HA THR 97 7.889 -4.299 -10.024 733 HB THR 97 HB THR 97 8.325 -3.467 -7.169 734 HG1 THR 97 HG1 THR 97 10.301 -2.422 -7.915 735 1HG2 THR 97 HG22 THR 97 9.196 -5.573 -8.744 736 2HG2 THR 97 HG23 THR 97 10.530 -4.445 -8.962 737 3HG2 THR 97 HG21 THR 97 10.101 -4.999 -7.347 738 H HIS 98 HN HIS 98 6.128 -2.280 -7.679 739 HA HIS 98 HA HIS 98 4.332 -4.612 -7.167 740 1HB HIS 98 HB2 HIS 98 5.099 -2.143 -5.584 741 2HB HIS 98 HB1 HIS 98 3.584 -2.965 -5.224 742 HD2 HIS 98 HD2 HIS 98 7.440 -3.883 -5.367 743 HE1 HIS 98 HE1 HIS 98 5.520 -6.457 -2.761 744 H VAL 99 HN VAL 99 2.034 -4.156 -6.911 745 HA VAL 99 HA VAL 99 1.151 -1.861 -8.605 746 HB VAL 99 HB VAL 99 0.985 -4.104 -9.747 747 1HG1 VAL 99 HG12 VAL 99 0.479 -5.247 -7.452 748 2HG1 VAL 99 HG13 VAL 99 -1.191 -4.795 -7.773 749 3HG1 VAL 99 HG11 VAL 99 -0.337 -5.858 -8.886 750 1HG2 VAL 99 HG23 VAL 99 -1.655 -2.783 -9.023 751 2HG2 VAL 99 HG21 VAL 99 -0.605 -2.343 -10.366 752 3HG2 VAL 99 HG22 VAL 99 -1.430 -3.898 -10.367 753 HA PRO 100 HA PRO 100 -0.397 -0.634 -9.037 754 1HB PRO 100 HB2 PRO 100 -0.770 1.885 -7.703 755 2HB PRO 100 HB1 PRO 100 -1.952 1.036 -8.698 756 1HG PRO 100 HG1 PRO 100 -1.963 1.383 -5.819 757 2HG PRO 100 HG2 PRO 100 -3.185 0.603 -6.823 758 1HD PRO 100 HD1 PRO 100 -1.247 -0.655 -5.073 759 2HD PRO 100 HD2 PRO 100 -2.508 -1.437 -6.043 760 HA PRO 101 HA PRO 101 3.795 0.515 -8.503 761 1HB PRO 101 HB2 PRO 101 3.659 2.776 -10.318 762 2HB PRO 101 HB1 PRO 101 4.287 1.163 -10.656 763 1HG PRO 101 HG1 PRO 101 1.802 2.331 -11.578 764 2HG PRO 101 HG2 PRO 101 2.452 0.735 -11.953 765 1HD PRO 101 HD1 PRO 101 0.226 1.358 -10.237 766 2HD PRO 101 HD2 PRO 101 0.922 -0.240 -10.566 767 H THR 102 HN THR 102 4.796 1.733 -6.999 768 HA THR 102 HA THR 102 3.297 3.982 -5.833 769 HB THR 102 HB THR 102 5.528 3.899 -4.289 770 HG1 THR 102 HG1 THR 102 5.995 1.476 -4.480 771 1HG2 THR 102 HG22 THR 102 3.453 1.638 -4.447 772 2HG2 THR 102 HG23 THR 102 4.519 1.907 -3.069 773 3HG2 THR 102 HG21 THR 102 3.288 3.099 -3.476 774 H PHE 103 HN PHE 103 3.647 6.033 -6.222 775 HA PHE 103 HA PHE 103 6.081 6.794 -7.781 776 1HB PHE 103 HB2 PHE 103 3.230 7.545 -7.865 777 2HB PHE 103 HB1 PHE 103 4.275 8.959 -7.794 778 HD1 PHE 103 HD2 PHE 103 3.647 5.811 -9.684 779 HD2 PHE 103 HD1 PHE 103 5.566 9.615 -9.698 780 HE1 PHE 103 HE2 PHE 103 4.148 5.551 -12.074 781 HE2 PHE 103 HE1 PHE 103 6.063 9.352 -12.089 782 HZ PHE 103 HZ PHE 103 5.355 7.321 -13.279 783 H GLY 104 HN GLY 104 7.159 8.761 -7.238 784 1HA GLY 104 HA1 GLY 104 6.492 10.324 -4.917 785 2HA GLY 104 HA2 GLY 104 7.705 9.119 -4.497 786 H GLY 105 HN GLY 105 8.559 11.553 -4.145 787 1HA GLY 105 HA1 GLY 105 10.826 12.311 -4.896 788 2HA GLY 105 HA2 GLY 105 10.238 12.152 -6.548 789 H GLY 106 HN GLY 106 11.327 14.516 -5.774 790 1HA GLY 106 HA1 GLY 106 9.668 16.498 -6.616 791 2HA GLY 106 HA2 GLY 106 9.192 16.352 -4.926 792 H THR 107 HN THR 107 12.412 15.947 -6.298 793 HA THR 107 HA THR 107 13.528 17.764 -4.304 794 HB THR 107 HB THR 107 14.939 16.588 -6.772 795 HG1 THR 107 HG1 THR 107 14.552 15.476 -4.183 796 1HG2 THR 107 HG22 THR 107 16.073 18.251 -5.020 797 2HG2 THR 107 HG23 THR 107 15.971 16.883 -3.918 798 3HG2 THR 107 HG21 THR 107 16.912 16.750 -5.398 799 H LYS 108 HN LYS 108 13.438 19.898 -4.533 800 HA LYS 108 HA LYS 108 13.019 21.100 -7.180 801 1HB LYS 108 HB2 LYS 108 12.615 21.850 -4.396 802 2HB LYS 108 HB1 LYS 108 13.508 23.121 -5.223 803 1HG LYS 108 HG1 LYS 108 11.807 23.388 -6.873 804 2HG LYS 108 HG2 LYS 108 11.030 21.872 -6.432 805 1HD LYS 108 HD1 LYS 108 11.280 23.780 -4.192 806 2HD LYS 108 HD2 LYS 108 10.266 24.360 -5.507 807 1HE LYS 108 HE1 LYS 108 8.853 23.123 -3.974 808 2HE LYS 108 HE2 LYS 108 9.034 22.157 -5.433 809 1HZ LYS 108 HZ1 LYS 108 10.646 20.794 -4.371 810 2HZ LYS 108 HZ2 LYS 108 10.710 21.810 -3.011 811 H LEU 109 HN LEU 109 14.739 21.238 -8.446 812 HA LEU 109 HA LEU 109 17.389 21.863 -7.280 813 1HB LEU 109 HB2 LEU 109 16.462 20.318 -9.491 814 2HB LEU 109 HB1 LEU 109 17.315 21.681 -10.200 815 HG LEU 109 HG LEU 109 18.918 20.820 -8.024 816 1HD1 LEU 109 HD13 LEU 109 17.896 18.526 -9.737 817 2HD1 LEU 109 HD11 LEU 109 19.302 18.429 -8.682 818 3HD1 LEU 109 HD12 LEU 109 17.702 18.693 -7.994 819 1HD2 LEU 109 HD21 LEU 109 19.162 20.342 -11.016 820 2HD2 LEU 109 HD22 LEU 109 19.726 21.768 -10.150 821 3HD2 LEU 109 HD23 LEU 109 20.483 20.206 -9.861 822 H GLU 110 HN GLU 110 17.048 23.999 -6.692 823 HA GLU 110 HA GLU 110 16.734 25.908 -8.978 824 1HB GLU 110 HB2 GLU 110 16.451 26.906 -6.171 825 2HB GLU 110 HB1 GLU 110 15.482 27.288 -7.588 826 1HG GLU 110 HG1 GLU 110 14.508 24.923 -7.397 827 2HG GLU 110 HG2 GLU 110 15.284 24.832 -5.819 828 H ILE 111 HN ILE 111 18.216 27.537 -9.216 829 HA ILE 111 HA ILE 111 20.850 27.063 -8.118 830 HB ILE 111 HB ILE 111 19.879 29.623 -9.463 831 1HG1 ILE 111 HG11 ILE 111 21.059 27.292 -10.970 832 2HG1 ILE 111 HG12 ILE 111 19.324 27.387 -10.697 833 1HG2 ILE 111 HG22 ILE 111 22.549 28.152 -9.264 834 2HG2 ILE 111 HG23 ILE 111 22.290 29.556 -10.296 835 3HG2 ILE 111 HG21 ILE 111 22.155 29.714 -8.547 836 1HD1 ILE 111 HD13 ILE 111 20.613 29.889 -11.658 837 2HD1 ILE 111 HD11 ILE 111 20.557 28.565 -12.816 838 3HD1 ILE 111 HD12 ILE 111 19.066 29.181 -12.111 839 H LYS 112 HN LYS 112 21.934 28.110 -6.521 840 HA LYS 112 HA LYS 112 20.370 29.432 -4.488 841 1HB LYS 112 HB2 LYS 112 22.825 28.151 -4.561 842 2HB LYS 112 HB1 LYS 112 23.322 29.835 -4.452 843 1HG LYS 112 HG1 LYS 112 21.350 29.821 -2.582 844 2HG LYS 112 HG2 LYS 112 21.887 28.151 -2.458 845 1HD LYS 112 HD1 LYS 112 23.286 29.307 -0.933 846 2HD LYS 112 HD2 LYS 112 24.287 29.132 -2.369 847 1HE LYS 112 HE1 LYS 112 23.097 31.471 -2.979 848 2HE LYS 112 HE2 LYS 112 23.020 31.583 -1.227 849 1HZ LYS 112 HZ1 LYS 112 25.465 31.109 -2.841 850 2HZ LYS 112 HZ2 LYS 112 25.042 32.559 -2.062 851 NH1 ARG 113 NH1 ARG 113 19.364 37.229 -8.194 852 NH2 ARG 113 NH2 ARG 113 20.045 36.139 -10.069 853 H ARG 113 HN ARG 113 21.382 31.563 -3.545 854 HA ARG 113 HA ARG 113 22.023 33.465 -5.733 855 1HB ARG 113 HB2 ARG 113 19.438 33.214 -4.923 856 2HB ARG 113 HB1 ARG 113 19.998 34.341 -3.692 857 1HG ARG 113 HG1 ARG 113 19.221 35.709 -5.489 858 2HG ARG 113 HG2 ARG 113 20.977 35.729 -5.616 859 1HD ARG 113 HD1 ARG 113 20.458 33.554 -7.150 860 2HD ARG 113 HD2 ARG 113 18.963 34.454 -7.410 861 HE ARG 113 HE ARG 113 21.691 35.426 -8.115 862 1HH1 ARG 113 HH11 ARG 113 19.381 37.307 -7.198 863 2HH1 ARG 113 HH12 ARG 113 18.834 37.877 -8.736 864 1HH2 ARG 113 HH21 ARG 113 20.573 35.398 -10.482 865 2HH2 ARG 113 HH22 ARG 113 19.528 36.768 -10.648 Start of MODEL 2 Raw file had 865 H/Q atoms Start of MODEL 2 1 1H ASP 1 HT3 ASP 1 -0.265 -2.175 -3.967 2 2H ASP 1 HT1 ASP 1 -0.988 -1.826 -2.470 3 3H ASP 1 HT2 ASP 1 -0.724 -0.581 -3.594 4 HA ASP 1 HA ASP 1 1.437 -0.356 -3.089 5 1HB ASP 1 HB2 ASP 1 0.787 -1.977 -0.605 6 2HB ASP 1 HB1 ASP 1 1.751 -0.507 -0.723 7 H VAL 2 HN VAL 2 3.465 -1.300 -2.320 8 HA VAL 2 HA VAL 2 3.954 -3.684 -3.840 9 HB VAL 2 HB VAL 2 5.660 -2.102 -1.865 10 1HG1 VAL 2 HG13 VAL 2 6.469 -4.448 -2.041 11 2HG1 VAL 2 HG11 VAL 2 6.527 -4.287 -3.793 12 3HG1 VAL 2 HG12 VAL 2 7.598 -3.322 -2.784 13 1HG2 VAL 2 HG21 VAL 2 5.286 -2.098 -4.856 14 2HG2 VAL 2 HG22 VAL 2 5.309 -0.732 -3.743 15 3HG2 VAL 2 HG23 VAL 2 6.808 -1.556 -4.158 16 H VAL 3 HN VAL 3 3.757 -5.752 -3.174 17 HA VAL 3 HA VAL 3 2.941 -6.351 -0.463 18 HB VAL 3 HB VAL 3 3.973 -8.331 -2.544 19 1HG1 VAL 3 HG12 VAL 3 1.990 -8.525 -0.248 20 2HG1 VAL 3 HG13 VAL 3 2.304 -9.817 -1.403 21 3HG1 VAL 3 HG11 VAL 3 3.582 -9.276 -0.320 22 1HG2 VAL 3 HG21 VAL 3 1.222 -7.068 -2.264 23 2HG2 VAL 3 HG22 VAL 3 2.304 -6.933 -3.647 24 3HG2 VAL 3 HG23 VAL 3 1.561 -8.481 -3.259 25 H MET 4 HN MET 4 4.029 -7.451 1.143 26 HA MET 4 HA MET 4 6.935 -7.963 0.793 27 1HB MET 4 HB2 MET 4 5.642 -5.897 2.545 28 2HB MET 4 HB1 MET 4 6.961 -6.810 3.266 29 1HG MET 4 HG1 MET 4 8.129 -6.278 0.943 30 2HG MET 4 HG2 MET 4 6.991 -4.958 0.919 31 1HE MET 4 HE3 MET 4 9.801 -6.737 2.666 32 2HE MET 4 HE1 MET 4 10.521 -5.688 1.445 33 3HE MET 4 HE2 MET 4 10.861 -5.413 3.153 34 H THR 5 HN THR 5 7.057 -10.053 1.314 35 HA THR 5 HA THR 5 5.378 -11.078 3.551 36 HB THR 5 HB THR 5 6.930 -12.467 1.298 37 HG1 THR 5 HG1 THR 5 4.624 -13.133 1.047 38 1HG2 THR 5 HG23 THR 5 5.276 -13.598 3.628 39 2HG2 THR 5 HG21 THR 5 5.718 -14.536 2.205 40 3HG2 THR 5 HG22 THR 5 6.969 -13.960 3.302 41 H GLN 6 HN GLN 6 6.291 -11.177 5.480 42 HA GLN 6 HA GLN 6 9.250 -11.483 5.666 43 1HB GLN 6 HB2 GLN 6 8.329 -9.587 6.935 44 2HB GLN 6 HB1 GLN 6 7.130 -10.628 7.694 45 1HG GLN 6 HG1 GLN 6 8.644 -11.501 9.192 46 2HG GLN 6 HG2 GLN 6 9.960 -11.492 8.023 47 1HE2 GLN 6 HE22 GLN 6 11.329 -8.611 9.468 48 2HE2 GLN 6 HE21 GLN 6 11.574 -10.099 8.692 49 H THR 7 HN THR 7 10.146 -13.276 6.473 50 HA THR 7 HA THR 7 8.580 -15.154 8.113 51 HB THR 7 HB THR 7 9.675 -16.896 6.162 52 HG1 THR 7 HG1 THR 7 9.920 -14.757 5.051 53 1HG2 THR 7 HG22 THR 7 7.182 -16.570 7.209 54 2HG2 THR 7 HG23 THR 7 6.923 -15.719 5.690 55 3HG2 THR 7 HG21 THR 7 7.404 -17.413 5.679 56 HA PRO 8 HA PRO 8 8.947 -17.471 8.193 57 1HB PRO 8 HB2 PRO 8 9.687 -18.747 10.622 58 2HB PRO 8 HB1 PRO 8 9.970 -19.380 9.000 59 1HG PRO 8 HG1 PRO 8 11.915 -18.300 10.898 60 2HG PRO 8 HG2 PRO 8 12.215 -19.132 9.372 61 1HD PRO 8 HD1 PRO 8 12.439 -16.303 9.910 62 2HD PRO 8 HD2 PRO 8 12.724 -17.141 8.373 63 H LEU 9 HN LEU 9 7.419 -18.001 10.146 64 HA LEU 9 HA LEU 9 6.730 -15.434 11.359 65 1HB LEU 9 HB2 LEU 9 5.522 -18.166 11.992 66 2HB LEU 9 HB1 LEU 9 4.740 -16.597 12.138 67 HG LEU 9 HG LEU 9 5.593 -17.943 9.549 68 1HD1 LEU 9 HD13 LEU 9 3.511 -18.799 10.713 69 2HD1 LEU 9 HD11 LEU 9 2.829 -17.184 10.549 70 3HD1 LEU 9 HD12 LEU 9 3.217 -18.126 9.113 71 1HD2 LEU 9 HD21 LEU 9 4.281 -15.249 10.061 72 2HD2 LEU 9 HD22 LEU 9 5.891 -15.509 9.399 73 3HD2 LEU 9 HD23 LEU 9 4.473 -15.984 8.473 74 H SER 10 HN SER 10 8.093 -18.484 12.395 75 HA SER 10 HA SER 10 8.922 -17.198 14.943 76 1HB SER 10 HB2 SER 10 7.686 -18.672 16.239 77 2HB SER 10 HB1 SER 10 6.849 -19.151 14.753 78 HG SER 10 HG SER 10 8.741 -20.486 16.174 79 H LEU 11 HN LEU 11 10.846 -18.096 15.837 80 HA LEU 11 HA LEU 11 12.233 -20.093 14.111 81 1HB LEU 11 HB2 LEU 11 12.825 -17.616 13.604 82 2HB LEU 11 HB1 LEU 11 13.611 -17.596 15.175 83 HG LEU 11 HG LEU 11 14.696 -19.870 14.190 84 1HD1 LEU 11 HD11 LEU 11 13.480 -19.654 12.034 85 2HD1 LEU 11 HD12 LEU 11 14.223 -18.078 11.779 86 3HD1 LEU 11 HD13 LEU 11 15.220 -19.530 11.797 87 1HD2 LEU 11 HD23 LEU 11 15.595 -17.022 13.625 88 2HD2 LEU 11 HD21 LEU 11 15.980 -17.975 15.055 89 3HD2 LEU 11 HD22 LEU 11 16.635 -18.436 13.487 90 HA PRO 12 HA PRO 12 12.736 -21.192 18.524 91 1HB PRO 12 HB2 PRO 12 12.734 -23.962 17.743 92 2HB PRO 12 HB1 PRO 12 11.430 -23.091 18.550 93 1HG PRO 12 HG1 PRO 12 11.522 -24.017 15.806 94 2HG PRO 12 HG2 PRO 12 10.193 -23.206 16.632 95 1HD PRO 12 HD1 PRO 12 11.988 -22.108 14.644 96 2HD PRO 12 HD2 PRO 12 10.625 -21.303 15.444 97 H VAL 13 HN VAL 13 14.844 -20.736 18.871 98 HA VAL 13 HA VAL 13 16.865 -22.637 17.750 99 HB VAL 13 HB VAL 13 18.415 -20.747 17.414 100 1HG1 VAL 13 HG11 VAL 13 16.494 -21.275 15.721 101 2HG1 VAL 13 HG12 VAL 13 15.794 -19.763 16.288 102 3HG1 VAL 13 HG13 VAL 13 17.383 -19.767 15.530 103 1HG2 VAL 13 HG22 VAL 13 16.189 -19.179 18.746 104 2HG2 VAL 13 HG23 VAL 13 17.881 -19.281 19.225 105 3HG2 VAL 13 HG21 VAL 13 17.427 -18.386 17.777 106 H SER 14 HN SER 14 19.079 -22.015 18.907 107 HA SER 14 HA SER 14 18.516 -21.911 21.844 108 1HB SER 14 HB2 SER 14 20.551 -23.614 20.301 109 2HB SER 14 HB1 SER 14 20.469 -23.524 22.071 110 HG SER 14 HG SER 14 18.222 -24.085 20.435 111 H LEU 15 HN LEU 15 20.257 -21.008 23.133 112 HA LEU 15 HA LEU 15 21.406 -18.676 21.909 113 1HB LEU 15 HB2 LEU 15 21.765 -20.029 24.598 114 2HB LEU 15 HB1 LEU 15 22.694 -18.603 24.150 115 HG LEU 15 HG LEU 15 19.695 -18.618 23.832 116 1HD1 LEU 15 HD13 LEU 15 21.290 -18.478 26.342 117 2HD1 LEU 15 HD11 LEU 15 20.021 -17.273 26.157 118 3HD1 LEU 15 HD12 LEU 15 19.622 -18.988 26.099 119 1HD2 LEU 15 HD21 LEU 15 21.583 -16.836 23.050 120 2HD2 LEU 15 HD22 LEU 15 19.957 -16.355 23.518 121 3HD2 LEU 15 HD23 LEU 15 21.278 -16.242 24.677 122 H GLY 16 HN GLY 16 22.587 -19.466 20.194 123 1HA GLY 16 HA1 GLY 16 25.254 -19.447 20.119 124 2HA GLY 16 HA2 GLY 16 25.021 -21.064 20.778 125 H ASP 17 HN ASP 17 22.941 -19.480 18.430 126 HA ASP 17 HA ASP 17 23.950 -21.336 16.322 127 1HB ASP 17 HB2 ASP 17 21.110 -20.916 17.319 128 2HB ASP 17 HB1 ASP 17 21.417 -21.540 15.700 129 H GLN 18 HN GLN 18 23.123 -20.748 14.143 130 HA GLN 18 HA GLN 18 23.232 -17.799 13.851 131 1HB GLN 18 HB2 GLN 18 23.433 -20.075 11.821 132 2HB GLN 18 HB1 GLN 18 23.575 -18.369 11.410 133 1HG GLN 18 HG1 GLN 18 25.697 -18.220 12.250 134 2HG GLN 18 HG2 GLN 18 25.303 -19.205 13.655 135 1HE2 GLN 18 HE22 GLN 18 26.424 -22.227 12.206 136 2HE2 GLN 18 HE21 GLN 18 25.616 -21.504 13.511 137 H ALA 19 HN ALA 19 21.598 -16.602 13.046 138 HA ALA 19 HA ALA 19 19.031 -18.050 12.526 139 1HB ALA 19 HB1 ALA 19 19.164 -16.385 14.465 140 2HB ALA 19 HB2 ALA 19 19.414 -15.116 13.270 141 3HB ALA 19 HB3 ALA 19 17.905 -16.022 13.289 142 H SER 20 HN SER 20 17.583 -17.129 10.945 143 HA SER 20 HA SER 20 18.791 -15.343 8.922 144 1HB SER 20 HB2 SER 20 18.136 -17.072 7.105 145 2HB SER 20 HB1 SER 20 19.494 -17.575 8.131 146 HG SER 20 HG SER 20 16.748 -18.245 8.413 147 H ILE 21 HN ILE 21 17.146 -13.889 9.452 148 HA ILE 21 HA ILE 21 14.337 -14.749 9.197 149 HB ILE 21 HB ILE 21 15.199 -11.867 9.391 150 1HG1 ILE 21 HG11 ILE 21 15.276 -13.862 11.685 151 2HG1 ILE 21 HG12 ILE 21 16.675 -13.062 10.980 152 1HG2 ILE 21 HG22 ILE 21 12.774 -12.668 9.301 153 2HG2 ILE 21 HG23 ILE 21 13.050 -13.482 10.837 154 3HG2 ILE 21 HG21 ILE 21 13.155 -11.728 10.740 155 1HD1 ILE 21 HD13 ILE 21 15.601 -10.846 11.572 156 2HD1 ILE 21 HD11 ILE 21 14.372 -11.750 12.450 157 3HD1 ILE 21 HD12 ILE 21 16.053 -11.825 12.966 158 H SER 22 HN SER 22 13.502 -14.944 7.271 159 HA SER 22 HA SER 22 14.595 -13.556 4.942 160 1HB SER 22 HB2 SER 22 13.627 -15.969 5.007 161 2HB SER 22 HB1 SER 22 12.027 -15.199 5.021 162 HG SER 22 HG SER 22 13.358 -15.637 2.905 163 H CYS 23 HN CYS 23 13.401 -12.288 3.502 164 HA CYS 23 HA CYS 23 10.846 -11.102 4.324 165 1HB CYS 23 HB2 CYS 23 13.492 -9.684 4.516 166 2HB CYS 23 HB1 CYS 23 12.123 -8.763 3.952 167 NH1 ARG 24 NH1 ARG 24 9.552 -12.715 -4.380 168 NH2 ARG 24 NH2 ARG 24 10.811 -14.578 -4.740 169 H ARG 24 HN ARG 24 10.107 -11.849 2.357 170 HA ARG 24 HA ARG 24 11.449 -10.967 -0.120 171 1HB ARG 24 HB2 ARG 24 9.164 -12.819 0.589 172 2HB ARG 24 HB1 ARG 24 9.337 -12.262 -1.070 173 1HG ARG 24 HG1 ARG 24 11.823 -13.258 0.234 174 2HG ARG 24 HG2 ARG 24 10.594 -14.470 -0.111 175 1HD ARG 24 HD1 ARG 24 11.607 -12.473 -2.163 176 2HD ARG 24 HD2 ARG 24 12.222 -14.117 -2.008 177 HE ARG 24 HE ARG 24 9.498 -14.487 -2.241 178 1HH1 ARG 24 HH11 ARG 24 9.091 -12.106 -3.733 179 2HH1 ARG 24 HH12 ARG 24 9.521 -12.519 -5.358 180 1HH2 ARG 24 HH21 ARG 24 11.295 -15.366 -4.362 181 2HH2 ARG 24 HH22 ARG 24 10.802 -14.422 -5.726 182 H SER 25 HN SER 25 10.096 -10.085 -1.876 183 HA SER 25 HA SER 25 7.775 -8.463 -1.012 184 1HB SER 25 HB2 SER 25 8.949 -6.426 -2.176 185 2HB SER 25 HB1 SER 25 9.599 -6.893 -0.592 186 HG SER 25 HG SER 25 10.501 -7.961 -3.059 187 H SER 26 HN SER 26 6.797 -7.321 -2.941 188 HA SER 26 HA SER 26 6.658 -9.244 -5.142 189 1HB SER 26 HB2 SER 26 5.047 -7.333 -6.047 190 2HB SER 26 HB1 SER 26 4.548 -8.221 -4.595 191 HG SER 26 HG SER 26 5.011 -5.649 -4.781 192 H GLN 27 HN GLN 27 7.044 -5.713 -5.259 193 HA GLN 27 HA GLN 27 8.620 -6.023 -7.745 194 1HB GLN 27 HB2 GLN 27 6.704 -4.291 -7.318 195 2HB GLN 27 HB1 GLN 27 7.886 -3.418 -6.351 196 1HG GLN 27 HG1 GLN 27 9.396 -3.781 -8.537 197 2HG GLN 27 HG2 GLN 27 7.818 -3.870 -9.313 198 1HE2 GLN 27 HE22 GLN 27 9.036 -0.333 -7.623 199 2HE2 GLN 27 HE21 GLN 27 9.794 -1.783 -7.169 200 H SER 28 HN SER 28 10.678 -5.007 -8.012 201 HA SER 28 HA SER 28 12.463 -5.418 -5.814 202 1HB SER 28 HB2 SER 28 13.061 -3.615 -8.205 203 2HB SER 28 HB1 SER 28 14.178 -4.688 -7.339 204 HG SER 28 HG SER 28 13.194 -5.488 -9.396 205 H LEU 29 HN LEU 29 13.132 -4.083 -4.226 206 HA LEU 29 HA LEU 29 11.841 -1.443 -4.042 207 1HB LEU 29 HB2 LEU 29 13.829 -2.716 -2.110 208 2HB LEU 29 HB1 LEU 29 12.685 -1.426 -1.756 209 HG LEU 29 HG LEU 29 11.743 -4.136 -2.727 210 1HD1 LEU 29 HD12 LEU 29 12.575 -3.253 0.029 211 2HD1 LEU 29 HD13 LEU 29 11.273 -4.422 -0.160 212 3HD1 LEU 29 HD11 LEU 29 12.880 -4.787 -0.779 213 1HD2 LEU 29 HD21 LEU 29 10.530 -1.689 -1.466 214 2HD2 LEU 29 HD22 LEU 29 9.939 -2.649 -2.818 215 3HD2 LEU 29 HD23 LEU 29 9.782 -3.255 -1.173 216 H VAL 30 HN VAL 30 13.818 -1.808 -6.096 217 HA VAL 30 HA VAL 30 16.138 -0.230 -5.145 218 HB VAL 30 HB VAL 30 15.466 -1.385 -7.899 219 1HG1 VAL 30 HG13 VAL 30 17.985 -0.108 -6.778 220 2HG1 VAL 30 HG11 VAL 30 17.930 -0.999 -8.296 221 3HG1 VAL 30 HG12 VAL 30 17.005 0.488 -8.114 222 1HG2 VAL 30 HG22 VAL 30 17.283 -2.370 -5.669 223 2HG2 VAL 30 HG23 VAL 30 15.819 -3.158 -6.249 224 3HG2 VAL 30 HG21 VAL 30 17.236 -3.060 -7.289 225 H HIS 31 HN HIS 31 16.243 1.910 -5.371 226 HA HIS 31 HA HIS 31 14.035 3.343 -6.637 227 1HB HIS 31 HB2 HIS 31 15.303 4.063 -4.521 228 2HB HIS 31 HB1 HIS 31 16.664 4.473 -5.559 229 HD2 HIS 31 HD2 HIS 31 13.000 5.696 -4.818 230 HE1 HIS 31 HE1 HIS 31 14.901 8.569 -7.104 231 H SER 32 HN SER 32 16.640 5.250 -7.219 232 HA SER 32 HA SER 32 16.405 4.867 -10.095 233 1HB SER 32 HB2 SER 32 18.068 6.692 -8.300 234 2HB SER 32 HB1 SER 32 18.289 6.681 -10.061 235 HG SER 32 HG SER 32 15.877 7.101 -8.615 236 H ASN 33 HN ASN 33 17.091 2.563 -9.829 237 HA ASN 33 HA ASN 33 18.715 0.849 -9.823 238 1HB ASN 33 HB2 ASN 33 20.371 1.331 -11.761 239 2HB ASN 33 HB1 ASN 33 18.660 1.420 -12.161 240 1HD2 ASN 33 HD22 ASN 33 18.690 4.944 -12.680 241 2HD2 ASN 33 HD21 ASN 33 17.699 3.607 -12.354 242 H GLY 34 HN GLY 34 19.325 2.076 -7.559 243 1HA GLY 34 HA1 GLY 34 22.133 1.628 -7.280 244 2HA GLY 34 HA2 GLY 34 21.858 3.360 -7.393 245 H ASN 35 HN ASN 35 19.733 3.901 -5.927 246 HA ASN 35 HA ASN 35 20.657 3.304 -3.210 247 1HB ASN 35 HB2 ASN 35 18.741 5.191 -4.519 248 2HB ASN 35 HB1 ASN 35 18.367 4.748 -2.857 249 1HD2 ASN 35 HD22 ASN 35 21.671 7.012 -3.657 250 2HD2 ASN 35 HD21 ASN 35 20.846 6.235 -4.920 251 H THR 36 HN THR 36 19.972 1.699 -2.002 252 HA THR 36 HA THR 36 17.342 0.425 -2.639 253 HB THR 36 HB THR 36 19.691 -0.726 -1.007 254 HG1 THR 36 HG1 THR 36 19.113 -1.750 -3.468 255 1HG2 THR 36 HG21 THR 36 17.314 -2.027 -2.460 256 2HG2 THR 36 HG22 THR 36 18.549 -2.887 -1.545 257 3HG2 THR 36 HG23 THR 36 17.407 -1.839 -0.711 258 OH TYR 37 OH TYR 37 17.258 7.193 -2.551 259 H TYR 37 HN TYR 37 15.927 1.575 -1.425 260 HA TYR 37 HA TYR 37 16.565 2.317 1.338 261 1HB TYR 37 HB2 TYR 37 13.954 2.572 -0.223 262 2HB TYR 37 HB1 TYR 37 14.338 3.396 1.284 263 HD1 TYR 37 HD1 TYR 37 17.105 4.257 0.889 264 HD2 TYR 37 HD2 TYR 37 13.887 4.246 -1.892 265 HE1 TYR 37 HE1 TYR 37 18.184 6.064 -0.369 266 HE2 TYR 37 HE2 TYR 37 14.969 6.051 -3.147 267 HH TYR 37 HH TYR 37 16.572 7.784 -2.871 268 H LEU 38 HN LEU 38 16.858 0.060 2.036 269 HA LEU 38 HA LEU 38 14.244 -1.039 2.974 270 1HB LEU 38 HB2 LEU 38 15.152 -2.460 1.098 271 2HB LEU 38 HB1 LEU 38 16.634 -2.695 2.020 272 HG LEU 38 HG LEU 38 14.183 -3.262 3.565 273 1HD1 LEU 38 HD13 LEU 38 14.735 -4.644 0.959 274 2HD1 LEU 38 HD11 LEU 38 14.138 -5.598 2.314 275 3HD1 LEU 38 HD12 LEU 38 13.191 -4.244 1.707 276 1HD2 LEU 38 HD23 LEU 38 16.518 -3.786 4.286 277 2HD2 LEU 38 HD21 LEU 38 15.498 -5.221 4.234 278 3HD2 LEU 38 HD22 LEU 38 16.654 -4.915 2.942 279 H ASN 39 HN ASN 39 14.186 -1.231 5.108 280 HA ASN 39 HA ASN 39 16.792 -1.465 6.567 281 1HB ASN 39 HB2 ASN 39 15.734 -0.021 8.343 282 2HB ASN 39 HB1 ASN 39 15.881 0.818 6.802 283 1HD2 ASN 39 HD22 ASN 39 12.304 0.664 8.427 284 2HD2 ASN 39 HD21 ASN 39 13.777 0.543 9.259 285 CH2 TRP 40 CH2 TRP 40 14.917 -9.516 7.736 286 H TRP 40 HN TRP 40 16.634 -2.379 8.705 287 HA TRP 40 HA TRP 40 14.485 -4.442 8.855 288 1HB TRP 40 HB2 TRP 40 17.394 -4.340 9.695 289 2HB TRP 40 HB1 TRP 40 16.305 -5.462 10.506 290 HD1 TRP 40 HD1 TRP 40 17.899 -4.766 7.060 291 HE1 TRP 40 HE1 TRP 40 17.520 -6.865 5.699 292 HE3 TRP 40 HE3 TRP 40 14.886 -7.185 10.163 293 HZ2 TRP 40 HZ2 TRP 40 16.001 -9.368 5.899 294 HZ3 TRP 40 HZ3 TRP 40 13.942 -9.390 9.629 295 HH2 TRP 40 HH2 TRP 40 14.513 -10.487 7.509 296 OH TYR 41 OH TYR 41 11.546 1.633 10.162 297 H TYR 41 HN TYR 41 14.178 -5.193 11.235 298 HA TYR 41 HA TYR 41 14.325 -2.940 13.160 299 1HB TYR 41 HB2 TYR 41 11.778 -4.185 12.047 300 2HB TYR 41 HB1 TYR 41 11.784 -3.403 13.620 301 HD1 TYR 41 HD1 TYR 41 13.275 -1.014 13.401 302 HD2 TYR 41 HD2 TYR 41 10.875 -2.835 10.390 303 HE1 TYR 41 HE1 TYR 41 12.948 1.171 12.337 304 HE2 TYR 41 HE2 TYR 41 10.557 -0.647 9.328 305 HH TYR 41 HH TYR 41 11.655 2.308 10.835 306 H LEU 42 HN LEU 42 13.666 -3.549 15.294 307 HA LEU 42 HA LEU 42 13.212 -6.342 15.991 308 1HB LEU 42 HB2 LEU 42 15.614 -6.547 15.719 309 2HB LEU 42 HB1 LEU 42 15.908 -4.984 16.461 310 HG LEU 42 HG LEU 42 15.112 -5.861 18.641 311 1HD1 LEU 42 HD11 LEU 42 14.739 -8.415 17.040 312 2HD1 LEU 42 HD12 LEU 42 14.737 -8.360 18.800 313 3HD1 LEU 42 HD13 LEU 42 13.491 -7.509 17.892 314 1HD2 LEU 42 HD21 LEU 42 17.322 -7.264 17.155 315 2HD2 LEU 42 HD22 LEU 42 17.434 -6.122 18.490 316 3HD2 LEU 42 HD23 LEU 42 16.922 -7.781 18.789 317 H GLN 43 HN GLN 43 11.653 -6.008 17.454 318 HA GLN 43 HA GLN 43 12.038 -3.765 19.401 319 1HB GLN 43 HB2 GLN 43 9.488 -5.108 18.392 320 2HB GLN 43 HB1 GLN 43 9.524 -3.846 19.620 321 1HG GLN 43 HG1 GLN 43 10.586 -2.297 18.009 322 2HG GLN 43 HG2 GLN 43 10.580 -3.559 16.782 323 1HE2 GLN 43 HE22 GLN 43 7.273 -2.906 15.826 324 2HE2 GLN 43 HE21 GLN 43 8.751 -3.666 15.484 325 H LYS 44 HN LYS 44 11.168 -4.076 21.542 326 HA LYS 44 HA LYS 44 11.163 -6.937 22.408 327 1HB LYS 44 HB2 LYS 44 13.224 -5.208 22.889 328 2HB LYS 44 HB1 LYS 44 12.207 -4.839 24.274 329 1HG LYS 44 HG1 LYS 44 13.106 -6.669 25.266 330 2HG LYS 44 HG2 LYS 44 12.157 -7.631 24.137 331 1HD LYS 44 HD1 LYS 44 14.061 -7.386 22.476 332 2HD LYS 44 HD2 LYS 44 15.008 -6.663 23.771 333 1HE LYS 44 HE1 LYS 44 14.383 -8.781 25.134 334 2HE LYS 44 HE2 LYS 44 13.930 -9.476 23.582 335 1HZ LYS 44 HZ1 LYS 44 16.202 -10.006 24.121 336 2HZ LYS 44 HZ2 LYS 44 16.157 -8.987 22.764 337 H ALA 45 HN ALA 45 10.627 -6.653 25.042 338 HA ALA 45 HA ALA 45 7.825 -5.799 24.972 339 1HB ALA 45 HB2 ALA 45 8.609 -7.887 26.158 340 2HB ALA 45 HB3 ALA 45 9.493 -6.875 27.295 341 3HB ALA 45 HB1 ALA 45 7.735 -6.798 27.230 342 H GLY 46 HN GLY 46 7.143 -3.847 25.494 343 1HA GLY 46 HA1 GLY 46 7.104 -1.662 26.359 344 2HA GLY 46 HA2 GLY 46 7.831 -2.372 27.797 345 H GLN 47 HN GLN 47 9.271 -2.331 24.594 346 HA GLN 47 HA GLN 47 11.318 -0.404 25.622 347 1HB GLN 47 HB2 GLN 47 12.022 -2.884 25.446 348 2HB GLN 47 HB1 GLN 47 11.865 -2.708 23.705 349 1HG GLN 47 HG1 GLN 47 14.074 -2.086 23.851 350 2HG GLN 47 HG2 GLN 47 13.391 -0.520 24.267 351 1HE2 GLN 47 HE22 GLN 47 13.860 -1.294 27.879 352 2HE2 GLN 47 HE21 GLN 47 12.532 -0.923 26.891 353 H SER 48 HN SER 48 12.339 0.901 24.055 354 HA SER 48 HA SER 48 10.554 1.750 21.941 355 1HB SER 48 HB2 SER 48 13.466 2.515 22.530 356 2HB SER 48 HB1 SER 48 12.377 3.404 21.447 357 HG SER 48 HG SER 48 11.684 4.328 23.207 358 HA PRO 49 HA PRO 49 11.823 -0.704 18.578 359 1HB PRO 49 HB2 PRO 49 11.879 1.505 16.695 360 2HB PRO 49 HB1 PRO 49 10.605 0.306 16.913 361 1HG PRO 49 HG1 PRO 49 10.573 3.087 17.702 362 2HG PRO 49 HG2 PRO 49 9.287 1.894 17.890 363 1HD PRO 49 HD1 PRO 49 10.959 3.011 19.949 364 2HD PRO 49 HD2 PRO 49 9.698 1.778 20.129 365 H LYS 50 HN LYS 50 13.796 -1.425 18.050 366 HA LYS 50 HA LYS 50 16.042 0.543 17.955 367 1HB LYS 50 HB2 LYS 50 15.798 -2.357 18.771 368 2HB LYS 50 HB1 LYS 50 17.352 -1.784 18.175 369 1HG LYS 50 HG1 LYS 50 17.599 -0.233 19.931 370 2HG LYS 50 HG2 LYS 50 15.875 -0.208 20.280 371 1HD LYS 50 HD1 LYS 50 15.951 -2.168 21.512 372 2HD LYS 50 HD2 LYS 50 17.304 -2.820 20.595 373 1HE LYS 50 HE1 LYS 50 18.833 -1.909 22.007 374 2HE LYS 50 HE2 LYS 50 17.998 -0.361 22.043 375 1HZ LYS 50 HZ1 LYS 50 18.009 -1.389 24.216 376 2HZ LYS 50 HZ2 LYS 50 16.418 -1.295 23.624 377 H LEU 51 HN LEU 51 17.351 0.673 16.209 378 HA LEU 51 HA LEU 51 16.506 -0.857 13.782 379 1HB LEU 51 HB2 LEU 51 16.385 1.580 13.546 380 2HB LEU 51 HB1 LEU 51 18.001 1.778 14.206 381 HG LEU 51 HG LEU 51 18.876 0.450 12.213 382 1HD1 LEU 51 HD12 LEU 51 15.943 0.617 11.564 383 2HD1 LEU 51 HD13 LEU 51 17.109 0.679 10.245 384 3HD1 LEU 51 HD11 LEU 51 17.062 -0.720 11.313 385 1HD2 LEU 51 HD23 LEU 51 18.444 3.105 12.492 386 2HD2 LEU 51 HD21 LEU 51 19.140 2.410 11.033 387 3HD2 LEU 51 HD22 LEU 51 17.424 2.801 11.090 388 H LEU 52 HN LEU 52 17.888 -2.202 12.777 389 HA LEU 52 HA LEU 52 20.663 -2.394 13.875 390 1HB LEU 52 HB2 LEU 52 18.834 -4.420 12.519 391 2HB LEU 52 HB1 LEU 52 20.535 -4.744 12.833 392 HG LEU 52 HG LEU 52 18.677 -3.832 15.040 393 1HD1 LEU 52 HD11 LEU 52 17.796 -5.916 13.912 394 2HD1 LEU 52 HD12 LEU 52 19.322 -6.705 14.300 395 3HD1 LEU 52 HD13 LEU 52 18.260 -6.159 15.593 396 1HD2 LEU 52 HD23 LEU 52 21.405 -5.107 14.829 397 2HD2 LEU 52 HD21 LEU 52 20.918 -3.694 15.759 398 3HD2 LEU 52 HD22 LEU 52 20.450 -5.304 16.293 399 H ILE 53 HN ILE 53 18.858 -2.782 10.844 400 HA ILE 53 HA ILE 53 21.290 -1.787 9.401 401 HB ILE 53 HB ILE 53 19.265 -3.816 8.362 402 1HG1 ILE 53 HG11 ILE 53 20.837 -4.492 10.375 403 2HG1 ILE 53 HG12 ILE 53 20.567 -5.590 9.032 404 1HG2 ILE 53 HG21 ILE 53 21.942 -2.761 7.376 405 2HG2 ILE 53 HG22 ILE 53 21.224 -4.230 6.727 406 3HG2 ILE 53 HG23 ILE 53 20.393 -2.689 6.547 407 1HD1 ILE 53 HD13 ILE 53 22.827 -3.610 8.933 408 2HD1 ILE 53 HD11 ILE 53 23.019 -5.131 9.795 409 3HD1 ILE 53 HD12 ILE 53 22.659 -5.133 8.073 410 OH TYR 54 OH TYR 54 24.944 3.119 6.852 411 H TYR 54 HN TYR 54 20.887 -0.143 7.981 412 HA TYR 54 HA TYR 54 18.001 0.543 7.559 413 1HB TYR 54 HB2 TYR 54 18.832 2.909 7.249 414 2HB TYR 54 HB1 TYR 54 19.212 2.273 8.845 415 HD1 TYR 54 HD2 TYR 54 21.535 1.432 9.312 416 HD2 TYR 54 HD1 TYR 54 20.584 3.489 5.712 417 HE1 TYR 54 HE2 TYR 54 23.922 1.833 8.904 418 HE2 TYR 54 HE1 TYR 54 22.969 3.893 5.312 419 HH TYR 54 HH TYR 54 25.425 2.890 7.651 420 H LYS 55 HN LYS 55 20.982 -0.173 5.998 421 HA LYS 55 HA LYS 55 19.591 0.149 3.383 422 1HB LYS 55 HB2 LYS 55 22.161 1.388 4.298 423 2HB LYS 55 HB1 LYS 55 22.171 0.719 2.669 424 1HG LYS 55 HG1 LYS 55 20.110 2.019 2.144 425 2HG LYS 55 HG2 LYS 55 20.157 2.718 3.758 426 1HD LYS 55 HD1 LYS 55 22.507 3.550 3.199 427 2HD LYS 55 HD2 LYS 55 22.189 3.070 1.535 428 1HE LYS 55 HE1 LYS 55 21.468 5.284 1.475 429 2HE LYS 55 HE2 LYS 55 19.965 4.472 1.893 430 1HZ LYS 55 HZ1 LYS 55 21.846 5.783 3.776 431 2HZ LYS 55 HZ2 LYS 55 20.295 6.325 3.343 432 H VAL 56 HN VAL 56 19.330 -1.857 2.792 433 HA VAL 56 HA VAL 56 19.732 -4.183 2.683 434 HB VAL 56 HB VAL 56 20.245 -3.316 0.471 435 1HG1 VAL 56 HG13 VAL 56 22.283 -1.878 1.674 436 2HG1 VAL 56 HG11 VAL 56 23.160 -3.100 0.764 437 3HG1 VAL 56 HG12 VAL 56 22.032 -2.029 -0.056 438 1HG2 VAL 56 HG22 VAL 56 20.816 -5.713 1.030 439 2HG2 VAL 56 HG23 VAL 56 21.710 -5.053 -0.337 440 3HG2 VAL 56 HG21 VAL 56 22.491 -5.204 1.234 441 H SER 57 HN SER 57 23.178 -3.363 2.446 442 HA SER 57 HA SER 57 23.595 -5.165 4.795 443 1HB SER 57 HB2 SER 57 24.473 -5.998 2.547 444 2HB SER 57 HB1 SER 57 25.564 -4.599 2.517 445 HG SER 57 HG SER 57 26.357 -5.278 4.555 446 H ASN 58 HN ASN 58 23.103 -2.559 5.358 447 HA ASN 58 HA ASN 58 25.809 -1.557 6.148 448 1HB ASN 58 HB2 ASN 58 23.350 -0.064 5.163 449 2HB ASN 58 HB1 ASN 58 24.601 0.757 6.091 450 1HD2 ASN 58 HD22 ASN 58 25.546 -0.659 2.350 451 2HD2 ASN 58 HD21 ASN 58 24.276 -1.382 3.214 452 NH1 ARG 59 NH2 ARG 59 29.900 -4.666 9.971 453 NH2 ARG 59 NH1 ARG 59 29.453 -6.853 10.422 454 H ARG 59 HN ARG 59 25.987 -2.010 8.225 455 HA ARG 59 HA ARG 59 23.746 -2.148 10.060 456 1HB ARG 59 HB2 ARG 59 26.745 -1.951 10.620 457 2HB ARG 59 HB1 ARG 59 25.526 -2.534 11.745 458 1HG ARG 59 HG1 ARG 59 24.985 -4.394 10.205 459 2HG ARG 59 HG2 ARG 59 26.194 -3.807 9.069 460 1HD ARG 59 HD1 ARG 59 27.667 -3.954 11.384 461 2HD ARG 59 HD2 ARG 59 26.558 -5.312 11.588 462 HE ARG 59 HE ARG 59 27.374 -5.800 9.081 463 1HH1 ARG 59 HH21 ARG 59 29.561 -3.761 9.713 464 2HH1 ARG 59 HH22 ARG 59 30.875 -4.808 10.133 465 1HH2 ARG 59 HH11 ARG 59 28.779 -7.588 10.504 466 2HH2 ARG 59 HH12 ARG 59 30.420 -7.040 10.589 467 H PHE 60 HN PHE 60 23.144 -0.726 11.657 468 HA PHE 60 HA PHE 60 23.697 2.085 11.162 469 1HB PHE 60 HB2 PHE 60 21.488 1.272 12.022 470 2HB PHE 60 HB1 PHE 60 22.271 0.701 13.491 471 HD1 PHE 60 HD2 PHE 60 21.431 3.750 11.539 472 HD2 PHE 60 HD1 PHE 60 22.848 2.226 15.256 473 HE1 PHE 60 HE2 PHE 60 21.196 5.977 12.546 474 HE2 PHE 60 HE1 PHE 60 22.611 4.453 16.258 475 HZ PHE 60 HZ PHE 60 21.787 6.332 14.905 476 H SER 61 HN SER 61 24.648 3.561 12.696 477 HA SER 61 HA SER 61 27.151 2.691 13.726 478 1HB SER 61 HB2 SER 61 26.928 4.966 15.067 479 2HB SER 61 HB1 SER 61 26.921 5.051 13.295 480 HG SER 61 HG SER 61 24.673 4.903 15.029 481 H GLY 62 HN GLY 62 27.070 1.012 15.138 482 1HA GLY 62 HA1 GLY 62 27.210 0.946 17.726 483 2HA GLY 62 HA2 GLY 62 25.512 1.404 17.664 484 H VAL 63 HN VAL 63 25.421 -0.345 15.123 485 HA VAL 63 HA VAL 63 24.425 -2.709 16.461 486 HB VAL 63 HB VAL 63 24.930 -2.058 13.527 487 1HG1 VAL 63 HG11 VAL 63 23.706 -4.448 14.899 488 2HG1 VAL 63 HG12 VAL 63 23.111 -3.950 13.319 489 3HG1 VAL 63 HG13 VAL 63 24.799 -4.409 13.519 490 1HG2 VAL 63 HG21 VAL 63 23.239 -0.716 14.939 491 2HG2 VAL 63 HG22 VAL 63 22.631 -1.442 13.461 492 3HG2 VAL 63 HG23 VAL 63 22.299 -2.201 15.010 493 HA PRO 64 HA PRO 64 28.377 -4.728 16.720 494 1HB PRO 64 HB2 PRO 64 26.998 -7.184 17.430 495 2HB PRO 64 HB1 PRO 64 27.898 -6.102 18.492 496 1HG PRO 64 HG1 PRO 64 25.043 -6.447 18.356 497 2HG PRO 64 HG2 PRO 64 25.942 -5.337 19.390 498 1HD PRO 64 HD1 PRO 64 24.346 -4.704 17.060 499 2HD PRO 64 HD2 PRO 64 25.207 -3.584 18.130 500 H ASP 65 HN ASP 65 29.515 -6.273 15.569 501 HA ASP 65 HA ASP 65 28.788 -6.760 12.889 502 1HB ASP 65 HB2 ASP 65 30.707 -8.367 12.922 503 2HB ASP 65 HB1 ASP 65 31.117 -6.898 13.804 504 NH1 ARG 66 NH1 ARG 66 29.787 -10.884 19.567 505 NH2 ARG 66 NH2 ARG 66 28.775 -11.420 21.531 506 H ARG 66 HN ARG 66 27.853 -8.442 15.726 507 HA ARG 66 HA ARG 66 27.390 -11.059 14.771 508 1HB ARG 66 HB2 ARG 66 25.934 -9.313 16.796 509 2HB ARG 66 HB1 ARG 66 25.480 -10.991 16.527 510 1HG ARG 66 HG1 ARG 66 27.823 -11.682 17.047 511 2HG ARG 66 HG2 ARG 66 28.223 -10.000 17.384 512 1HD ARG 66 HD1 ARG 66 26.878 -9.931 19.313 513 2HD ARG 66 HD2 ARG 66 25.882 -11.286 18.783 514 HE ARG 66 HE ARG 66 27.556 -12.791 19.590 515 1HH1 ARG 66 HH11 ARG 66 29.756 -10.860 18.568 516 2HH1 ARG 66 HH12 ARG 66 30.584 -10.528 20.052 517 1HH2 ARG 66 HH21 ARG 66 27.980 -11.798 22.010 518 2HH2 ARG 66 HH22 ARG 66 29.555 -11.079 22.051 519 H PHE 67 HN PHE 67 25.894 -8.152 13.830 520 HA PHE 67 HA PHE 67 23.618 -9.675 12.623 521 1HB PHE 67 HB2 PHE 67 23.909 -6.787 13.528 522 2HB PHE 67 HB1 PHE 67 22.591 -7.300 12.481 523 HD1 PHE 67 HD1 PHE 67 20.967 -9.009 13.282 524 HD2 PHE 67 HD2 PHE 67 23.937 -7.402 15.879 525 HE1 PHE 67 HE1 PHE 67 19.709 -9.822 15.221 526 HE2 PHE 67 HE2 PHE 67 22.661 -8.208 17.825 527 HZ PHE 67 HZ PHE 67 20.549 -9.418 17.494 528 H SER 68 HN SER 68 23.521 -9.826 10.499 529 HA SER 68 HA SER 68 24.829 -7.754 8.813 530 1HB SER 68 HB2 SER 68 26.019 -10.269 9.294 531 2HB SER 68 HB1 SER 68 25.214 -10.470 7.725 532 HG SER 68 HG SER 68 27.432 -9.163 8.183 533 H GLY 69 HN GLY 69 23.482 -7.130 7.260 534 1HA GLY 69 HA1 GLY 69 21.247 -8.981 6.518 535 2HA GLY 69 HA2 GLY 69 21.102 -7.228 6.517 536 H SER 70 HN SER 70 20.652 -9.166 4.380 537 HA SER 70 HA SER 70 22.144 -7.751 2.286 538 1HB SER 70 HB2 SER 70 23.415 -9.975 3.205 539 2HB SER 70 HB1 SER 70 22.302 -10.754 2.062 540 HG SER 70 HG SER 70 24.243 -8.762 1.605 541 H GLY 71 HN GLY 71 21.323 -8.280 0.131 542 1HA GLY 71 HA1 GLY 71 19.168 -10.032 -0.390 543 2HA GLY 71 HA2 GLY 71 18.462 -8.503 0.122 544 H SER 72 HN SER 72 18.101 -9.599 -2.435 545 HA SER 72 HA SER 72 19.896 -8.083 -4.233 546 1HB SER 72 HB2 SER 72 18.420 -9.224 -6.028 547 2HB SER 72 HB1 SER 72 19.271 -10.358 -4.961 548 HG SER 72 HG SER 72 17.413 -10.941 -4.166 549 H GLY 73 HN GLY 73 16.619 -8.473 -5.182 550 1HA GLY 73 HA1 GLY 73 16.144 -5.545 -4.775 551 2HA GLY 73 HA2 GLY 73 15.706 -6.360 -6.274 552 H THR 74 HN THR 74 14.732 -8.762 -5.063 553 HA THR 74 HA THR 74 12.314 -7.697 -3.671 554 HB THR 74 HB THR 74 10.988 -9.457 -4.890 555 HG1 THR 74 HG1 THR 74 13.565 -9.943 -5.999 556 1HG2 THR 74 HG22 THR 74 12.890 -7.917 -6.748 557 2HG2 THR 74 HG23 THR 74 11.374 -8.659 -7.250 558 3HG2 THR 74 HG21 THR 74 11.359 -7.291 -6.143 559 H ASP 75 HN ASP 75 14.896 -9.112 -2.806 560 HA ASP 75 HA ASP 75 13.539 -10.825 -0.831 561 1HB ASP 75 HB2 ASP 75 14.059 -12.366 -2.746 562 2HB ASP 75 HB1 ASP 75 15.757 -11.911 -2.635 563 H PHE 76 HN PHE 76 14.379 -10.456 1.071 564 HA PHE 76 HA PHE 76 17.286 -9.873 1.323 565 1HB PHE 76 HB2 PHE 76 15.095 -8.269 2.732 566 2HB PHE 76 HB1 PHE 76 16.825 -7.933 2.758 567 HD1 PHE 76 HD2 PHE 76 13.880 -8.145 0.469 568 HD2 PHE 76 HD1 PHE 76 17.811 -6.591 1.043 569 HE1 PHE 76 HE2 PHE 76 13.659 -6.818 -1.584 570 HE2 PHE 76 HE1 PHE 76 17.582 -5.269 -1.014 571 HZ PHE 76 HZ PHE 76 15.509 -5.383 -2.329 572 H THR 77 HN THR 77 18.115 -10.263 3.477 573 HA THR 77 HA THR 77 16.289 -11.602 5.370 574 HB THR 77 HB THR 77 18.569 -13.010 3.890 575 HG1 THR 77 HG1 THR 77 16.395 -13.058 3.132 576 1HG2 THR 77 HG23 THR 77 17.400 -13.506 6.635 577 2HG2 THR 77 HG21 THR 77 17.570 -14.908 5.589 578 3HG2 THR 77 HG22 THR 77 18.985 -13.957 6.024 579 H LEU 78 HN LEU 78 17.061 -11.798 7.443 580 HA LEU 78 HA LEU 78 19.441 -10.119 8.084 581 1HB LEU 78 HB2 LEU 78 17.071 -9.699 9.054 582 2HB LEU 78 HB1 LEU 78 17.280 -11.185 9.962 583 HG LEU 78 HG LEU 78 19.544 -9.283 10.198 584 1HD1 LEU 78 HD11 LEU 78 16.731 -8.607 11.074 585 2HD1 LEU 78 HD12 LEU 78 18.136 -7.960 11.916 586 3HD1 LEU 78 HD13 LEU 78 17.879 -7.585 10.215 587 1HD2 LEU 78 HD21 LEU 78 17.900 -11.103 11.941 588 2HD2 LEU 78 HD22 LEU 78 19.640 -11.096 11.677 589 3HD2 LEU 78 HD23 LEU 78 18.898 -9.861 12.687 590 H LYS 79 HN LYS 79 21.228 -11.357 8.247 591 HA LYS 79 HA LYS 79 20.962 -14.093 9.387 592 1HB LYS 79 HB2 LYS 79 23.264 -12.712 7.925 593 2HB LYS 79 HB1 LYS 79 23.298 -14.381 8.481 594 1HG LYS 79 HG1 LYS 79 21.128 -13.352 6.634 595 2HG LYS 79 HG2 LYS 79 22.644 -14.002 6.020 596 1HD LYS 79 HD1 LYS 79 22.103 -16.026 7.624 597 2HD LYS 79 HD2 LYS 79 20.456 -15.416 7.532 598 1HE LYS 79 HE1 LYS 79 20.384 -16.763 5.671 599 2HE LYS 79 HE2 LYS 79 21.093 -15.348 4.903 600 1HZ LYS 79 HZ1 LYS 79 22.647 -16.826 4.294 601 2HZ LYS 79 HZ2 LYS 79 23.273 -16.542 5.849 602 H ILE 80 HN ILE 80 21.492 -14.440 11.417 603 HA ILE 80 HA ILE 80 23.306 -12.495 12.782 604 HB ILE 80 HB ILE 80 21.429 -14.521 14.086 605 1HG1 ILE 80 HG11 ILE 80 20.874 -11.605 13.425 606 2HG1 ILE 80 HG12 ILE 80 20.099 -12.994 12.672 607 1HG2 ILE 80 HG21 ILE 80 23.379 -13.367 15.363 608 2HG2 ILE 80 HG22 ILE 80 22.487 -11.864 15.155 609 3HG2 ILE 80 HG23 ILE 80 21.781 -13.188 16.079 610 1HD1 ILE 80 HD12 ILE 80 19.385 -13.689 15.045 611 2HD1 ILE 80 HD13 ILE 80 19.872 -12.073 15.549 612 3HD1 ILE 80 HD11 ILE 80 18.579 -12.275 14.372 613 H SER 81 HN SER 81 25.176 -13.132 13.545 614 HA SER 81 HA SER 81 26.180 -15.664 12.768 615 1HB SER 81 HB2 SER 81 27.210 -13.548 14.701 616 2HB SER 81 HB1 SER 81 28.130 -15.023 14.341 617 HG SER 81 HG SER 81 27.891 -12.838 12.847 618 NH1 ARG 82 NH1 ARG 82 31.015 -16.621 19.470 619 NH2 ARG 82 NH2 ARG 82 30.347 -18.202 17.975 620 H ARG 82 HN ARG 82 25.653 -14.450 16.076 621 HA ARG 82 HA ARG 82 24.896 -17.227 16.838 622 1HB ARG 82 HB2 ARG 82 26.210 -16.624 19.063 623 2HB ARG 82 HB1 ARG 82 27.116 -17.189 17.666 624 1HG ARG 82 HG1 ARG 82 27.471 -14.779 17.005 625 2HG ARG 82 HG2 ARG 82 26.716 -14.303 18.522 626 1HD ARG 82 HD1 ARG 82 29.093 -14.324 18.916 627 2HD ARG 82 HD2 ARG 82 28.448 -15.767 19.699 628 HE ARG 82 HE ARG 82 29.476 -16.045 16.920 629 1HH1 ARG 82 HH11 ARG 82 30.946 -15.684 19.811 630 2HH1 ARG 82 HH12 ARG 82 31.635 -17.269 19.910 631 1HH2 ARG 82 HH21 ARG 82 29.776 -18.450 17.194 632 2HH2 ARG 82 HH22 ARG 82 30.956 -18.879 18.386 633 H VAL 83 HN VAL 83 22.859 -17.016 17.428 634 HA VAL 83 HA VAL 83 21.661 -14.608 18.380 635 HB VAL 83 HB VAL 83 20.815 -17.527 18.710 636 1HG1 VAL 83 HG11 VAL 83 19.283 -14.933 19.123 637 2HG1 VAL 83 HG12 VAL 83 18.525 -16.519 19.028 638 3HG1 VAL 83 HG13 VAL 83 19.636 -16.152 20.344 639 1HG2 VAL 83 HG21 VAL 83 20.877 -15.711 16.463 640 2HG2 VAL 83 HG22 VAL 83 20.322 -17.383 16.506 641 3HG2 VAL 83 HG23 VAL 83 19.201 -16.073 16.866 642 H GLU 84 HN GLU 84 22.249 -13.630 20.187 643 HA GLU 84 HA GLU 84 23.020 -15.241 22.556 644 1HB GLU 84 HB2 GLU 84 23.006 -12.205 22.382 645 2HB GLU 84 HB1 GLU 84 24.039 -13.235 23.369 646 1HG GLU 84 HG1 GLU 84 24.708 -14.161 20.910 647 2HG GLU 84 HG2 GLU 84 24.294 -12.502 20.490 648 H ALA 85 HN ALA 85 22.294 -13.856 24.682 649 HA ALA 85 HA ALA 85 19.484 -14.369 24.917 650 1HB ALA 85 HB1 ALA 85 21.072 -14.461 26.833 651 2HB ALA 85 HB2 ALA 85 21.336 -12.725 26.703 652 3HB ALA 85 HB3 ALA 85 19.757 -13.343 27.178 653 H GLU 86 HN GLU 86 21.245 -11.496 24.033 654 HA GLU 86 HA GLU 86 18.905 -9.766 24.505 655 1HB GLU 86 HB2 GLU 86 20.429 -7.996 23.480 656 2HB GLU 86 HB1 GLU 86 21.091 -8.773 24.912 657 1HG GLU 86 HG1 GLU 86 22.551 -10.159 23.597 658 2HG GLU 86 HG2 GLU 86 21.718 -9.738 22.104 659 H ASP 87 HN ASP 87 20.504 -11.310 21.777 660 HA ASP 87 HA ASP 87 19.168 -9.838 19.716 661 1HB ASP 87 HB2 ASP 87 20.113 -12.744 19.686 662 2HB ASP 87 HB1 ASP 87 19.773 -11.765 18.264 663 H LEU 88 HN LEU 88 17.948 -12.052 21.962 664 HA LEU 88 HA LEU 88 15.878 -13.256 20.344 665 1HB LEU 88 HB2 LEU 88 15.871 -12.745 23.356 666 2HB LEU 88 HB1 LEU 88 14.935 -13.967 22.503 667 HG LEU 88 HG LEU 88 17.961 -13.900 22.380 668 1HD1 LEU 88 HD13 LEU 88 16.189 -15.409 24.328 669 2HD1 LEU 88 HD11 LEU 88 17.929 -15.617 24.161 670 3HD1 LEU 88 HD12 LEU 88 17.277 -14.091 24.746 671 1HD2 LEU 88 HD22 LEU 88 15.769 -15.830 21.641 672 2HD2 LEU 88 HD23 LEU 88 17.167 -15.329 20.696 673 3HD2 LEU 88 HD21 LEU 88 17.369 -16.447 22.042 674 H GLY 89 HN GLY 89 13.701 -12.728 20.184 675 1HA GLY 89 HA1 GLY 89 12.027 -10.995 21.330 676 2HA GLY 89 HA2 GLY 89 13.118 -9.840 20.569 677 H ILE 90 HN ILE 90 11.187 -9.153 19.390 678 HA ILE 90 HA ILE 90 10.404 -11.038 17.211 679 HB ILE 90 HB ILE 90 9.030 -8.391 17.761 680 1HG1 ILE 90 HG11 ILE 90 7.484 -10.060 19.205 681 2HG1 ILE 90 HG12 ILE 90 9.041 -10.821 19.503 682 1HG2 ILE 90 HG21 ILE 90 8.472 -9.933 15.791 683 2HG2 ILE 90 HG22 ILE 90 7.963 -11.145 16.963 684 3HG2 ILE 90 HG23 ILE 90 7.104 -9.611 16.853 685 1HD1 ILE 90 HD12 ILE 90 9.489 -8.035 19.760 686 2HD1 ILE 90 HD13 ILE 90 7.982 -8.359 20.610 687 3HD1 ILE 90 HD11 ILE 90 9.448 -9.226 21.057 688 OH TYR 91 OH TYR 91 18.027 -9.669 16.646 689 H TYR 91 HN TYR 91 11.396 -10.742 15.342 690 HA TYR 91 HA TYR 91 12.669 -8.138 14.767 691 1HB TYR 91 HB2 TYR 91 12.823 -10.937 13.647 692 2HB TYR 91 HB1 TYR 91 13.372 -9.596 12.643 693 HD1 TYR 91 HD1 TYR 91 13.922 -11.386 15.830 694 HD2 TYR 91 HD2 TYR 91 15.364 -8.342 13.233 695 HE1 TYR 91 HE1 TYR 91 16.004 -11.274 17.116 696 HE2 TYR 91 HE2 TYR 91 17.451 -8.235 14.513 697 HH TYR 91 HH TYR 91 17.801 -9.806 17.571 698 H PHE 92 HN PHE 92 12.373 -7.017 12.816 699 HA PHE 92 HA PHE 92 9.980 -7.692 11.200 700 1HB PHE 92 HB2 PHE 92 10.367 -5.209 12.909 701 2HB PHE 92 HB1 PHE 92 9.353 -5.147 11.473 702 HD1 PHE 92 HD2 PHE 92 7.281 -6.528 11.358 703 HD2 PHE 92 HD1 PHE 92 9.667 -6.439 14.886 704 HE1 PHE 92 HE2 PHE 92 5.411 -7.458 12.651 705 HE2 PHE 92 HE1 PHE 92 7.797 -7.368 16.173 706 HZ PHE 92 HZ PHE 92 5.667 -7.883 15.058 707 H CYS 93 HN CYS 93 9.785 -6.143 9.324 708 HA CYS 93 HA CYS 93 12.192 -4.651 8.595 709 1HB CYS 93 HB2 CYS 93 13.003 -6.052 6.908 710 2HB CYS 93 HB1 CYS 93 12.541 -7.203 8.131 711 H SER 94 HN SER 94 11.903 -3.351 6.734 712 HA SER 94 HA SER 94 9.305 -3.495 5.335 713 1HB SER 94 HB2 SER 94 8.960 -2.127 7.482 714 2HB SER 94 HB1 SER 94 10.107 -0.945 6.823 715 HG SER 94 HG SER 94 7.547 -1.626 5.967 716 H GLN 95 HN GLN 95 9.172 -1.261 3.996 717 HA GLN 95 HA GLN 95 11.851 -0.726 2.798 718 1HB GLN 95 HB2 GLN 95 10.748 -0.885 0.520 719 2HB GLN 95 HB1 GLN 95 10.754 -2.424 1.372 720 1HG GLN 95 HG1 GLN 95 8.505 -2.501 1.163 721 2HG GLN 95 HG2 GLN 95 8.390 -1.084 2.198 722 1HE2 GLN 95 HE22 GLN 95 7.003 -0.591 -1.374 723 2HE2 GLN 95 HE21 GLN 95 6.926 -1.966 -0.383 724 H THR 96 HN THR 96 12.166 1.368 2.247 725 HA THR 96 HA THR 96 9.823 3.196 2.600 726 HB THR 96 HB THR 96 12.803 3.926 2.818 727 HG1 THR 96 HG1 THR 96 12.641 2.962 4.683 728 1HG2 THR 96 HG23 THR 96 10.911 5.753 2.580 729 2HG2 THR 96 HG21 THR 96 10.345 5.176 4.144 730 3HG2 THR 96 HG22 THR 96 11.950 5.883 3.994 731 H THR 97 HN THR 97 10.159 1.917 0.181 732 HA THR 97 HA THR 97 11.342 3.978 -1.618 733 HB THR 97 HB THR 97 10.288 1.726 -3.105 734 HG1 THR 97 HG1 THR 97 10.298 0.391 -1.421 735 1HG2 THR 97 HG22 THR 97 13.118 2.334 -2.090 736 2HG2 THR 97 HG23 THR 97 12.742 1.193 -3.374 737 3HG2 THR 97 HG21 THR 97 12.455 2.913 -3.614 738 H HIS 98 HN HIS 98 8.357 2.262 -0.908 739 HA HIS 98 HA HIS 98 6.902 4.121 -2.744 740 1HB HIS 98 HB2 HIS 98 6.163 1.394 -1.573 741 2HB HIS 98 HB1 HIS 98 5.048 2.379 -2.515 742 HD2 HIS 98 HD2 HIS 98 8.373 0.339 -3.015 743 HE1 HIS 98 HE1 HIS 98 6.822 1.275 -6.732 744 H VAL 99 HN VAL 99 4.896 5.012 -1.996 745 HA VAL 99 HA VAL 99 4.681 5.113 0.983 746 HB VAL 99 HB VAL 99 4.340 7.387 -1.029 747 1HG1 VAL 99 HG13 VAL 99 2.781 7.415 0.995 748 2HG1 VAL 99 HG11 VAL 99 4.222 7.540 2.000 749 3HG1 VAL 99 HG12 VAL 99 3.839 8.814 0.847 750 1HG2 VAL 99 HG21 VAL 99 6.492 6.606 0.934 751 2HG2 VAL 99 HG22 VAL 99 6.659 7.136 -0.738 752 3HG2 VAL 99 HG23 VAL 99 6.258 8.301 0.519 753 HA PRO 100 HA PRO 100 3.425 5.619 2.511 754 1HB PRO 100 HB2 PRO 100 1.738 3.699 3.822 755 2HB PRO 100 HB1 PRO 100 1.604 5.455 3.913 756 1HG PRO 100 HG1 PRO 100 -0.155 3.601 2.547 757 2HG PRO 100 HG2 PRO 100 -0.326 5.351 2.692 758 1HD PRO 100 HD1 PRO 100 0.493 3.821 0.366 759 2HD PRO 100 HD2 PRO 100 0.246 5.572 0.493 760 HA PRO 101 HA PRO 101 6.042 2.103 2.636 761 1HB PRO 101 HB2 PRO 101 6.228 1.900 5.510 762 2HB PRO 101 HB1 PRO 101 7.359 2.709 4.425 763 1HG PRO 101 HG1 PRO 101 5.471 3.922 6.262 764 2HG PRO 101 HG2 PRO 101 6.654 4.729 5.231 765 1HD PRO 101 HD1 PRO 101 3.791 4.625 4.883 766 2HD PRO 101 HD2 PRO 101 4.983 5.417 3.835 767 H THR 102 HN THR 102 6.211 -0.145 3.368 768 HA THR 102 HA THR 102 3.533 -1.311 3.758 769 HB THR 102 HB THR 102 4.852 -3.506 3.377 770 HG1 THR 102 HG1 THR 102 7.049 -2.611 2.480 771 1HG2 THR 102 HG23 THR 102 3.973 -2.007 1.420 772 2HG2 THR 102 HG21 THR 102 5.594 -1.320 1.360 773 3HG2 THR 102 HG22 THR 102 5.350 -3.030 1.021 774 H PHE 103 HN PHE 103 6.364 -2.887 5.054 775 HA PHE 103 HA PHE 103 6.886 -3.650 7.194 776 1HB PHE 103 HB2 PHE 103 7.091 -1.312 7.848 777 2HB PHE 103 HB1 PHE 103 5.346 -1.102 7.880 778 HD1 PHE 103 HD2 PHE 103 8.126 -2.965 9.531 779 HD2 PHE 103 HD1 PHE 103 4.118 -1.564 9.849 780 HE1 PHE 103 HE2 PHE 103 8.072 -3.646 11.888 781 HE2 PHE 103 HE1 PHE 103 4.067 -2.248 12.207 782 HZ PHE 103 HZ PHE 103 6.043 -3.294 13.227 783 H GLY 104 HN GLY 104 5.977 -5.481 7.915 784 1HA GLY 104 HA1 GLY 104 3.663 -5.631 9.502 785 2HA GLY 104 HA2 GLY 104 3.109 -5.903 7.856 786 H GLY 105 HN GLY 105 5.929 -6.972 9.757 787 1HA GLY 105 HA1 GLY 105 5.306 -9.765 8.867 788 2HA GLY 105 HA2 GLY 105 6.935 -9.184 9.179 789 H GLY 106 HN GLY 106 7.730 -9.915 11.067 790 1HA GLY 106 HA1 GLY 106 7.337 -9.620 13.583 791 2HA GLY 106 HA2 GLY 106 5.780 -10.383 13.294 792 H THR 107 HN THR 107 9.254 -10.979 12.802 793 HA THR 107 HA THR 107 8.778 -13.884 12.913 794 HB THR 107 HB THR 107 11.413 -12.294 12.767 795 HG1 THR 107 HG1 THR 107 9.708 -13.553 10.864 796 1HG2 THR 107 HG22 THR 107 10.911 -15.080 13.227 797 2HG2 THR 107 HG23 THR 107 11.285 -14.948 11.511 798 3HG2 THR 107 HG21 THR 107 12.441 -14.377 12.709 799 H LYS 108 HN LYS 108 8.311 -14.610 14.885 800 HA LYS 108 HA LYS 108 9.411 -13.394 17.285 801 1HB LYS 108 HB2 LYS 108 7.240 -15.076 16.673 802 2HB LYS 108 HB1 LYS 108 8.307 -16.097 17.630 803 1HG LYS 108 HG1 LYS 108 8.370 -14.442 19.420 804 2HG LYS 108 HG2 LYS 108 7.455 -13.297 18.446 805 1HD LYS 108 HD1 LYS 108 6.261 -16.006 18.907 806 2HD LYS 108 HD2 LYS 108 6.250 -14.868 20.248 807 1HE LYS 108 HE1 LYS 108 4.194 -14.559 19.007 808 2HE LYS 108 HE2 LYS 108 5.221 -13.163 18.697 809 1HZ LYS 108 HZ1 LYS 108 4.242 -15.129 16.875 810 2HZ LYS 108 HZ2 LYS 108 4.932 -13.610 16.560 811 H LEU 109 HN LEU 109 11.384 -13.681 17.934 812 HA LEU 109 HA LEU 109 12.747 -16.285 17.391 813 1HB LEU 109 HB2 LEU 109 13.590 -13.891 16.556 814 2HB LEU 109 HB1 LEU 109 14.184 -13.749 18.203 815 HG LEU 109 HG LEU 109 14.855 -16.364 17.152 816 1HD1 LEU 109 HD13 LEU 109 15.732 -13.956 15.516 817 2HD1 LEU 109 HD11 LEU 109 16.447 -15.560 15.390 818 3HD1 LEU 109 HD12 LEU 109 14.763 -15.309 14.941 819 1HD2 LEU 109 HD21 LEU 109 16.432 -13.924 18.038 820 2HD2 LEU 109 HD22 LEU 109 16.034 -15.341 19.005 821 3HD2 LEU 109 HD23 LEU 109 17.172 -15.478 17.669 822 H GLU 110 HN GLU 110 12.077 -17.387 19.189 823 HA GLU 110 HA GLU 110 13.079 -16.318 21.800 824 1HB GLU 110 HB2 GLU 110 10.592 -17.932 21.102 825 2HB GLU 110 HB1 GLU 110 11.211 -17.873 22.748 826 1HG GLU 110 HG1 GLU 110 10.907 -15.490 22.874 827 2HG GLU 110 HG2 GLU 110 10.617 -15.368 21.142 828 H ILE 111 HN ILE 111 14.191 -17.707 23.115 829 HA ILE 111 HA ILE 111 15.625 -19.855 21.895 830 HB ILE 111 HB ILE 111 15.138 -19.482 24.887 831 1HG1 ILE 111 HG11 ILE 111 17.490 -18.293 23.433 832 2HG1 ILE 111 HG12 ILE 111 15.968 -17.412 23.485 833 1HG2 ILE 111 HG23 ILE 111 17.273 -20.800 23.160 834 2HG2 ILE 111 HG21 ILE 111 17.599 -20.365 24.834 835 3HG2 ILE 111 HG22 ILE 111 16.332 -21.530 24.459 836 1HD1 ILE 111 HD11 ILE 111 16.883 -18.568 26.070 837 2HD1 ILE 111 HD12 ILE 111 17.844 -17.234 25.443 838 3HD1 ILE 111 HD13 ILE 111 16.124 -17.014 25.746 839 H LYS 112 HN LYS 112 15.554 -22.089 22.294 840 HA LYS 112 HA LYS 112 12.938 -23.243 22.242 841 1HB LYS 112 HB2 LYS 112 15.748 -24.135 22.172 842 2HB LYS 112 HB1 LYS 112 14.720 -25.281 23.024 843 1HG LYS 112 HG1 LYS 112 13.355 -25.651 21.136 844 2HG LYS 112 HG2 LYS 112 13.847 -24.145 20.369 845 1HD LYS 112 HD1 LYS 112 14.914 -26.086 19.264 846 2HD LYS 112 HD2 LYS 112 16.120 -25.051 20.017 847 1HE LYS 112 HE1 LYS 112 14.992 -27.252 21.694 848 2HE LYS 112 HE2 LYS 112 16.079 -27.721 20.394 849 1HZ LYS 112 HZ1 LYS 112 17.841 -26.745 21.380 850 2HZ LYS 112 HZ2 LYS 112 16.925 -25.492 22.067 851 NH1 ARG 113 NH2 ARG 113 14.118 -20.785 29.507 852 NH2 ARG 113 NH1 ARG 113 13.427 -18.788 28.666 853 H ARG 113 HN ARG 113 11.593 -23.633 23.876 854 HA ARG 113 HA ARG 113 12.687 -23.608 26.642 855 1HB ARG 113 HB2 ARG 113 10.466 -22.352 25.483 856 2HB ARG 113 HB1 ARG 113 9.749 -23.715 26.334 857 1HG ARG 113 HG1 ARG 113 9.836 -21.950 27.942 858 2HG ARG 113 HG2 ARG 113 11.179 -23.012 28.351 859 1HD ARG 113 HD1 ARG 113 12.694 -21.534 26.993 860 2HD ARG 113 HD2 ARG 113 11.337 -20.436 26.744 861 HE ARG 113 HE ARG 113 11.335 -20.508 29.421 862 1HH1 ARG 113 HH21 ARG 113 13.910 -21.738 29.723 863 2HH1 ARG 113 HH22 ARG 113 15.025 -20.415 29.700 864 1HH2 ARG 113 HH11 ARG 113 12.700 -18.241 28.251 865 2HH2 ARG 113 HH12 ARG 113 14.321 -18.380 28.842 Start of MODEL 3 Raw file had 865 H/Q atoms Start of MODEL 3 1 1H ASP 1 HT2 ASP 1 0.248 -1.928 1.300 2 2H ASP 1 HT3 ASP 1 0.019 -0.247 1.369 3 3H ASP 1 HT1 ASP 1 -1.024 -1.208 0.432 4 HA ASP 1 HA ASP 1 0.262 -0.765 -1.300 5 1HB ASP 1 HB2 ASP 1 2.459 0.393 -1.016 6 2HB ASP 1 HB1 ASP 1 1.234 1.170 -0.015 7 H VAL 2 HN VAL 2 2.274 -1.504 -2.399 8 HA VAL 2 HA VAL 2 2.558 -4.296 -1.801 9 HB VAL 2 HB VAL 2 4.152 -2.510 -3.705 10 1HG1 VAL 2 HG11 VAL 2 4.036 -5.508 -3.304 11 2HG1 VAL 2 HG12 VAL 2 4.508 -4.813 -4.851 12 3HG1 VAL 2 HG13 VAL 2 5.459 -4.476 -3.407 13 1HG2 VAL 2 HG21 VAL 2 1.583 -2.807 -3.996 14 2HG2 VAL 2 HG22 VAL 2 2.605 -3.129 -5.393 15 3HG2 VAL 2 HG23 VAL 2 1.967 -4.466 -4.441 16 H VAL 3 HN VAL 3 3.802 -5.096 -0.242 17 HA VAL 3 HA VAL 3 5.798 -3.529 1.123 18 HB VAL 3 HB VAL 3 5.339 -6.553 1.108 19 1HG1 VAL 3 HG13 VAL 3 6.929 -4.704 2.900 20 2HG1 VAL 3 HG11 VAL 3 6.355 -6.267 3.470 21 3HG1 VAL 3 HG12 VAL 3 7.467 -6.182 2.108 22 1HG2 VAL 3 HG21 VAL 3 3.328 -5.254 1.762 23 2HG2 VAL 3 HG22 VAL 3 3.999 -6.121 3.140 24 3HG2 VAL 3 HG23 VAL 3 4.282 -4.392 2.965 25 H MET 4 HN MET 4 8.040 -3.817 1.184 26 HA MET 4 HA MET 4 9.291 -5.418 -0.973 27 1HB MET 4 HB2 MET 4 9.137 -2.449 -0.809 28 2HB MET 4 HB1 MET 4 10.766 -3.064 -1.057 29 1HG MET 4 HG1 MET 4 8.346 -3.812 -2.711 30 2HG MET 4 HG2 MET 4 9.546 -2.634 -3.180 31 1HE MET 4 HE3 MET 4 9.127 -4.086 -5.375 32 2HE MET 4 HE1 MET 4 10.687 -3.278 -5.238 33 3HE MET 4 HE2 MET 4 10.600 -4.935 -5.841 34 H THR 5 HN THR 5 10.828 -6.566 -0.050 35 HA THR 5 HA THR 5 12.300 -5.398 2.286 36 HB THR 5 HB THR 5 12.154 -8.400 1.836 37 HG1 THR 5 HG1 THR 5 10.123 -8.245 2.982 38 1HG2 THR 5 HG23 THR 5 11.807 -6.606 4.304 39 2HG2 THR 5 HG21 THR 5 11.992 -8.356 4.321 40 3HG2 THR 5 HG22 THR 5 13.344 -7.334 3.846 41 H GLN 6 HN GLN 6 14.514 -5.589 2.362 42 HA GLN 6 HA GLN 6 15.802 -6.695 -0.105 43 1HB GLN 6 HB2 GLN 6 15.842 -4.071 0.816 44 2HB GLN 6 HB1 GLN 6 17.351 -4.709 1.456 45 1HG GLN 6 HG1 GLN 6 17.971 -5.511 -0.808 46 2HG GLN 6 HG2 GLN 6 16.460 -4.873 -1.449 47 1HE2 GLN 6 HE22 GLN 6 19.593 -2.385 -0.791 48 2HE2 GLN 6 HE21 GLN 6 19.690 -4.044 -0.436 49 H THR 7 HN THR 7 17.725 -7.785 0.079 50 HA THR 7 HA THR 7 19.024 -8.209 2.661 51 HB THR 7 HB THR 7 18.475 -10.898 1.896 52 HG1 THR 7 HG1 THR 7 16.823 -9.559 0.624 53 1HG2 THR 7 HG23 THR 7 18.355 -9.662 4.252 54 2HG2 THR 7 HG21 THR 7 16.685 -9.322 3.806 55 3HG2 THR 7 HG22 THR 7 17.231 -10.988 3.970 56 HA PRO 8 HA PRO 8 20.291 -9.896 3.410 57 1HB PRO 8 HB2 PRO 8 23.096 -9.713 3.781 58 2HB PRO 8 HB1 PRO 8 22.192 -11.208 3.537 59 1HG PRO 8 HG1 PRO 8 24.013 -9.860 1.687 60 2HG PRO 8 HG2 PRO 8 23.286 -11.460 1.540 61 1HD PRO 8 HD1 PRO 8 22.538 -9.038 0.138 62 2HD PRO 8 HD2 PRO 8 21.816 -10.652 -0.014 63 H LEU 9 HN LEU 9 21.472 -8.708 5.303 64 HA LEU 9 HA LEU 9 21.051 -5.848 4.884 65 1HB LEU 9 HB2 LEU 9 22.315 -7.156 7.329 66 2HB LEU 9 HB1 LEU 9 21.368 -5.676 7.275 67 HG LEU 9 HG LEU 9 20.310 -8.475 6.730 68 1HD1 LEU 9 HD13 LEU 9 20.860 -7.878 9.133 69 2HD1 LEU 9 HD11 LEU 9 19.685 -6.571 9.009 70 3HD1 LEU 9 HD12 LEU 9 19.163 -8.245 8.845 71 1HD2 LEU 9 HD22 LEU 9 19.097 -5.716 6.561 72 2HD2 LEU 9 HD23 LEU 9 18.972 -7.047 5.414 73 3HD2 LEU 9 HD21 LEU 9 18.089 -7.110 6.936 74 H SER 10 HN SER 10 23.812 -7.927 5.617 75 HA SER 10 HA SER 10 25.609 -5.737 4.657 76 1HB SER 10 HB2 SER 10 27.286 -6.741 6.391 77 2HB SER 10 HB1 SER 10 25.913 -5.860 7.086 78 HG SER 10 HG SER 10 25.617 -8.576 6.436 79 H LEU 11 HN LEU 11 27.516 -6.440 3.584 80 HA LEU 11 HA LEU 11 27.676 -9.350 2.990 81 1HB LEU 11 HB2 LEU 11 26.274 -7.940 1.281 82 2HB LEU 11 HB1 LEU 11 27.824 -7.290 0.766 83 HG LEU 11 HG LEU 11 28.413 -9.950 0.791 84 1HD1 LEU 11 HD11 LEU 11 25.991 -10.416 1.410 85 2HD1 LEU 11 HD12 LEU 11 25.538 -9.786 -0.172 86 3HD1 LEU 11 HD13 LEU 11 26.543 -11.227 -0.052 87 1HD2 LEU 11 HD21 LEU 11 27.101 -8.359 -1.442 88 2HD2 LEU 11 HD22 LEU 11 28.824 -8.427 -1.084 89 3HD2 LEU 11 HD23 LEU 11 27.991 -9.860 -1.678 90 HA PRO 12 HA PRO 12 31.835 -7.455 3.660 91 1HB PRO 12 HB2 PRO 12 32.589 -9.884 5.031 92 2HB PRO 12 HB1 PRO 12 32.318 -8.299 5.755 93 1HG PRO 12 HG1 PRO 12 30.642 -10.650 5.952 94 2HG PRO 12 HG2 PRO 12 30.387 -9.075 6.704 95 1HD PRO 12 HD1 PRO 12 28.971 -10.222 4.452 96 2HD PRO 12 HD2 PRO 12 28.687 -8.655 5.233 97 H VAL 13 HN VAL 13 33.260 -7.764 2.026 98 HA VAL 13 HA VAL 13 33.783 -10.530 1.086 99 HB VAL 13 HB VAL 13 33.374 -9.919 -1.268 100 1HG1 VAL 13 HG12 VAL 13 31.434 -10.634 0.230 101 2HG1 VAL 13 HG13 VAL 13 30.998 -8.932 0.330 102 3HG1 VAL 13 HG11 VAL 13 30.982 -9.753 -1.225 103 1HG2 VAL 13 HG23 VAL 13 32.802 -7.174 -0.098 104 2HG2 VAL 13 HG21 VAL 13 34.034 -7.594 -1.284 105 3HG2 VAL 13 HG22 VAL 13 32.329 -7.635 -1.731 106 H SER 14 HN SER 14 35.298 -10.261 -0.960 107 HA SER 14 HA SER 14 37.555 -8.501 -0.096 108 1HB SER 14 HB2 SER 14 38.739 -10.430 -1.670 109 2HB SER 14 HB1 SER 14 38.498 -10.659 0.073 110 HG SER 14 HG SER 14 37.246 -11.870 -2.023 111 H LEU 15 HN LEU 15 39.032 -7.921 -1.958 112 HA LEU 15 HA LEU 15 37.354 -6.874 -4.126 113 1HB LEU 15 HB2 LEU 15 40.356 -6.628 -3.622 114 2HB LEU 15 HB1 LEU 15 39.444 -5.706 -4.812 115 HG LEU 15 HG LEU 15 38.979 -5.660 -1.807 116 1HD1 LEU 15 HD13 LEU 15 41.046 -4.492 -2.606 117 2HD1 LEU 15 HD11 LEU 15 40.039 -3.515 -3.672 118 3HD1 LEU 15 HD12 LEU 15 39.855 -3.387 -1.925 119 1HD2 LEU 15 HD23 LEU 15 37.464 -4.618 -4.155 120 2HD2 LEU 15 HD21 LEU 15 36.876 -5.100 -2.566 121 3HD2 LEU 15 HD22 LEU 15 37.632 -3.526 -2.785 122 H GLY 16 HN GLY 16 36.762 -8.675 -5.236 123 1HA GLY 16 HA1 GLY 16 37.685 -9.469 -7.559 124 2HA GLY 16 HA2 GLY 16 38.909 -10.260 -6.568 125 H ASP 17 HN ASP 17 35.403 -9.869 -6.155 126 HA ASP 17 HA ASP 17 35.078 -12.807 -6.405 127 1HB ASP 17 HB2 ASP 17 34.863 -11.200 -3.910 128 2HB ASP 17 HB1 ASP 17 33.488 -12.262 -4.201 129 H GLN 18 HN GLN 18 32.643 -13.338 -6.042 130 HA GLN 18 HA GLN 18 31.157 -11.480 -7.825 131 1HB GLN 18 HB2 GLN 18 30.804 -14.387 -7.001 132 2HB GLN 18 HB1 GLN 18 29.514 -13.516 -7.823 133 1HG GLN 18 HG1 GLN 18 30.886 -13.123 -9.759 134 2HG GLN 18 HG2 GLN 18 32.343 -13.640 -8.915 135 1HE2 GLN 18 HE22 GLN 18 31.614 -17.126 -9.264 136 2HE2 GLN 18 HE21 GLN 18 32.453 -15.999 -8.315 137 H ALA 19 HN ALA 19 29.116 -10.690 -7.317 138 HA ALA 19 HA ALA 19 28.306 -10.977 -4.447 139 1HB ALA 19 HB3 ALA 19 29.254 -8.652 -5.725 140 2HB ALA 19 HB1 ALA 19 27.506 -8.444 -5.724 141 3HB ALA 19 HB2 ALA 19 28.364 -8.692 -4.207 142 H SER 20 HN SER 20 26.012 -10.545 -4.043 143 HA SER 20 HA SER 20 24.180 -10.507 -6.317 144 1HB SER 20 HB2 SER 20 23.149 -12.790 -5.350 145 2HB SER 20 HB1 SER 20 24.517 -12.863 -6.479 146 HG SER 20 HG SER 20 25.590 -13.717 -4.890 147 H ILE 21 HN ILE 21 23.126 -8.797 -5.373 148 HA ILE 21 HA ILE 21 22.175 -9.025 -2.585 149 HB ILE 21 HB ILE 21 21.640 -6.887 -4.711 150 1HG1 ILE 21 HG11 ILE 21 23.540 -6.597 -2.388 151 2HG1 ILE 21 HG12 ILE 21 24.085 -7.351 -3.881 152 1HG2 ILE 21 HG22 ILE 21 20.989 -7.217 -1.776 153 2HG2 ILE 21 HG23 ILE 21 21.368 -5.598 -2.355 154 3HG2 ILE 21 HG21 ILE 21 20.015 -6.488 -3.049 155 1HD1 ILE 21 HD11 ILE 21 22.562 -4.835 -4.246 156 2HD1 ILE 21 HD12 ILE 21 24.118 -4.652 -3.444 157 3HD1 ILE 21 HD13 ILE 21 24.033 -5.380 -5.043 158 H SER 22 HN SER 22 20.103 -9.406 -1.991 159 HA SER 22 HA SER 22 18.240 -10.248 -4.163 160 1HB SER 22 HB2 SER 22 18.493 -11.033 -1.219 161 2HB SER 22 HB1 SER 22 17.114 -11.523 -2.227 162 HG SER 22 HG SER 22 19.137 -12.900 -2.189 163 H CYS 23 HN CYS 23 16.158 -9.617 -4.232 164 HA CYS 23 HA CYS 23 15.004 -7.836 -2.186 165 1HB CYS 23 HB2 CYS 23 16.378 -6.406 -3.816 166 2HB CYS 23 HB1 CYS 23 15.305 -6.936 -5.083 167 NH1 ARG 24 NH1 ARG 24 14.735 -14.391 -0.424 168 NH2 ARG 24 NH2 ARG 24 12.854 -14.119 0.827 169 H ARG 24 HN ARG 24 12.992 -8.619 -1.937 170 HA ARG 24 HA ARG 24 11.581 -9.627 -4.381 171 1HB ARG 24 HB2 ARG 24 11.479 -10.670 -1.514 172 2HB ARG 24 HB1 ARG 24 10.464 -11.270 -2.822 173 1HG ARG 24 HG1 ARG 24 12.414 -12.029 -4.064 174 2HG ARG 24 HG2 ARG 24 13.501 -11.270 -2.909 175 1HD ARG 24 HD1 ARG 24 11.495 -13.289 -1.931 176 2HD ARG 24 HD2 ARG 24 12.977 -13.848 -2.704 177 HE ARG 24 HE ARG 24 13.498 -11.856 -0.650 178 1HH1 ARG 24 HH11 ARG 24 15.296 -14.095 -1.196 179 2HH1 ARG 24 HH12 ARG 24 15.028 -15.158 0.144 180 1HH2 ARG 24 HH21 ARG 24 12.005 -13.619 0.994 181 2HH2 ARG 24 HH22 ARG 24 13.110 -14.883 1.417 182 H SER 25 HN SER 25 9.304 -9.476 -4.399 183 HA SER 25 HA SER 25 8.200 -7.367 -2.580 184 1HB SER 25 HB2 SER 25 6.776 -6.694 -4.583 185 2HB SER 25 HB1 SER 25 8.509 -6.526 -4.924 186 HG SER 25 HG SER 25 6.685 -8.464 -5.793 187 H SER 26 HN SER 26 6.084 -7.637 -1.866 188 HA SER 26 HA SER 26 5.166 -10.291 -1.474 189 1HB SER 26 HB2 SER 26 3.677 -7.618 -1.382 190 2HB SER 26 HB1 SER 26 2.978 -9.145 -0.810 191 HG SER 26 HG SER 26 4.205 -9.013 0.887 192 H GLN 27 HN GLN 27 3.975 -7.836 -3.746 193 HA GLN 27 HA GLN 27 2.577 -10.020 -5.229 194 1HB GLN 27 HB2 GLN 27 1.470 -7.741 -4.234 195 2HB GLN 27 HB1 GLN 27 2.005 -7.126 -5.793 196 1HG GLN 27 HG1 GLN 27 0.820 -9.042 -6.903 197 2HG GLN 27 HG2 GLN 27 0.209 -9.534 -5.327 198 1HE2 GLN 27 HE22 GLN 27 -1.815 -6.470 -5.062 199 2HE2 GLN 27 HE21 GLN 27 -0.695 -7.319 -4.111 200 H SER 28 HN SER 28 2.627 -9.941 -7.536 201 HA SER 28 HA SER 28 5.233 -9.439 -8.613 202 1HB SER 28 HB2 SER 28 2.531 -9.891 -9.988 203 2HB SER 28 HB1 SER 28 4.097 -9.955 -10.821 204 HG SER 28 HG SER 28 3.190 -11.992 -9.840 205 H LEU 29 HN LEU 29 6.002 -7.818 -9.940 206 HA LEU 29 HA LEU 29 4.442 -5.291 -9.834 207 1HB LEU 29 HB2 LEU 29 7.330 -5.727 -10.710 208 2HB LEU 29 HB1 LEU 29 6.581 -4.192 -10.299 209 HG LEU 29 HG LEU 29 6.771 -6.484 -8.323 210 1HD1 LEU 29 HD13 LEU 29 9.045 -5.769 -9.058 211 2HD1 LEU 29 HD11 LEU 29 8.638 -4.105 -8.651 212 3HD1 LEU 29 HD12 LEU 29 8.730 -5.324 -7.384 213 1HD2 LEU 29 HD22 LEU 29 6.106 -3.531 -8.176 214 2HD2 LEU 29 HD23 LEU 29 5.121 -4.893 -7.649 215 3HD2 LEU 29 HD21 LEU 29 6.567 -4.451 -6.746 216 H VAL 30 HN VAL 30 3.812 -7.436 -11.737 217 HA VAL 30 HA VAL 30 4.675 -6.322 -14.337 218 HB VAL 30 HB VAL 30 2.813 -8.652 -13.643 219 1HG1 VAL 30 HG13 VAL 30 3.868 -7.559 -16.263 220 2HG1 VAL 30 HG11 VAL 30 3.379 -9.243 -16.107 221 3HG1 VAL 30 HG12 VAL 30 2.205 -7.959 -15.838 222 1HG2 VAL 30 HG21 VAL 30 5.240 -8.919 -13.004 223 2HG2 VAL 30 HG22 VAL 30 4.706 -10.071 -14.225 224 3HG2 VAL 30 HG23 VAL 30 5.663 -8.671 -14.696 225 H HIS 31 HN HIS 31 3.369 -5.258 -15.752 226 HA HIS 31 HA HIS 31 0.968 -4.023 -14.608 227 1HB HIS 31 HB2 HIS 31 2.831 -2.931 -16.114 228 2HB HIS 31 HB1 HIS 31 1.954 -3.652 -17.460 229 HD2 HIS 31 HD2 HIS 31 1.368 -0.999 -14.598 230 HE1 HIS 31 HE1 HIS 31 -1.572 -0.524 -17.468 231 H SER 32 HN SER 32 0.296 -4.038 -17.790 232 HA SER 32 HA SER 32 -2.044 -5.584 -17.599 233 1HB SER 32 HB2 SER 32 -1.865 -5.632 -20.185 234 2HB SER 32 HB1 SER 32 -1.731 -4.018 -19.461 235 HG SER 32 HG SER 32 0.014 -4.429 -20.886 236 H ASN 33 HN ASN 33 0.746 -6.608 -19.582 237 HA ASN 33 HA ASN 33 0.866 -9.229 -18.360 238 1HB ASN 33 HB2 ASN 33 -0.020 -10.481 -20.374 239 2HB ASN 33 HB1 ASN 33 -1.265 -9.515 -19.587 240 1HD2 ASN 33 HD22 ASN 33 0.107 -8.421 -23.290 241 2HD2 ASN 33 HD21 ASN 33 0.997 -9.521 -22.352 242 H GLY 34 HN GLY 34 2.516 -6.953 -19.605 243 1HA GLY 34 HA1 GLY 34 4.677 -8.641 -20.511 244 2HA GLY 34 HA2 GLY 34 3.915 -7.842 -21.879 245 H ASN 35 HN ASN 35 3.794 -6.075 -18.963 246 HA ASN 35 HA ASN 35 6.236 -4.539 -19.731 247 1HB ASN 35 HB2 ASN 35 3.431 -3.491 -19.151 248 2HB ASN 35 HB1 ASN 35 4.851 -2.450 -19.104 249 1HD2 ASN 35 HD22 ASN 35 3.178 -3.193 -22.630 250 2HD2 ASN 35 HD21 ASN 35 2.410 -3.438 -21.136 251 H THR 36 HN THR 36 7.569 -4.714 -18.073 252 HA THR 36 HA THR 36 6.428 -4.527 -15.309 253 HB THR 36 HB THR 36 9.063 -5.857 -16.200 254 HG1 THR 36 HG1 THR 36 7.118 -6.839 -16.971 255 1HG2 THR 36 HG22 THR 36 7.369 -5.996 -13.637 256 2HG2 THR 36 HG23 THR 36 8.794 -6.981 -13.948 257 3HG2 THR 36 HG21 THR 36 8.956 -5.239 -13.749 258 OH TYR 37 OH TYR 37 4.457 -0.192 -18.447 259 H TYR 37 HN TYR 37 7.553 -3.254 -13.780 260 HA TYR 37 HA TYR 37 9.642 -1.454 -14.936 261 1HB TYR 37 HB2 TYR 37 7.400 -0.539 -13.081 262 2HB TYR 37 HB1 TYR 37 8.553 0.483 -13.934 263 HD1 TYR 37 HD1 TYR 37 8.561 0.187 -16.574 264 HD2 TYR 37 HD2 TYR 37 5.310 -0.920 -14.067 265 HE1 TYR 37 HE1 TYR 37 7.042 0.292 -18.497 266 HE2 TYR 37 HE2 TYR 37 3.793 -0.822 -15.989 267 HH TYR 37 HH TYR 37 3.722 0.379 -18.206 268 H LEU 38 HN LEU 38 11.368 -2.186 -13.849 269 HA LEU 38 HA LEU 38 11.462 -1.609 -10.955 270 1HB LEU 38 HB2 LEU 38 10.796 -4.044 -11.191 271 2HB LEU 38 HB1 LEU 38 12.277 -4.326 -12.099 272 HG LEU 38 HG LEU 38 12.696 -2.914 -9.536 273 1HD1 LEU 38 HD12 LEU 38 11.490 -5.689 -9.640 274 2HD1 LEU 38 HD13 LEU 38 12.486 -5.160 -8.288 275 3HD1 LEU 38 HD11 LEU 38 10.984 -4.317 -8.657 276 1HD2 LEU 38 HD22 LEU 38 14.508 -3.805 -10.993 277 2HD2 LEU 38 HD23 LEU 38 14.548 -4.526 -9.387 278 3HD2 LEU 38 HD21 LEU 38 13.890 -5.435 -10.745 279 H ASN 39 HN ASN 39 13.343 -0.656 -10.466 280 HA ASN 39 HA ASN 39 15.670 -1.160 -12.274 281 1HB ASN 39 HB2 ASN 39 16.200 1.345 -11.921 282 2HB ASN 39 HB1 ASN 39 14.823 0.995 -12.956 283 1HD2 ASN 39 HD22 ASN 39 13.628 3.583 -10.650 284 2HD2 ASN 39 HD21 ASN 39 14.689 3.455 -11.967 285 CH2 TRP 40 CH2 TRP 40 19.015 -5.795 -6.162 286 H TRP 40 HN TRP 40 17.742 -0.608 -11.374 287 HA TRP 40 HA TRP 40 17.802 -0.986 -8.407 288 1HB TRP 40 HB2 TRP 40 19.619 -1.885 -10.670 289 2HB TRP 40 HB1 TRP 40 20.217 -1.821 -9.018 290 HD1 TRP 40 HD1 TRP 40 17.496 -3.609 -11.144 291 HE1 TRP 40 HE1 TRP 40 16.944 -5.724 -9.867 292 HE3 TRP 40 HE3 TRP 40 20.206 -2.786 -7.095 293 HZ2 TRP 40 HZ2 TRP 40 17.671 -6.998 -7.308 294 HZ3 TRP 40 HZ3 TRP 40 20.334 -4.390 -5.239 295 HH2 TRP 40 HH2 TRP 40 19.084 -6.505 -5.353 296 OH TYR 41 OH TYR 41 14.605 4.480 -9.204 297 H TYR 41 HN TYR 41 19.360 0.137 -7.205 298 HA TYR 41 HA TYR 41 20.624 2.460 -8.617 299 1HB TYR 41 HB2 TYR 41 19.324 2.478 -5.848 300 2HB TYR 41 HB1 TYR 41 20.099 3.853 -6.619 301 HD1 TYR 41 HD2 TYR 41 19.029 3.524 -9.428 302 HD2 TYR 41 HD1 TYR 41 17.096 3.209 -5.651 303 HE1 TYR 41 HE2 TYR 41 16.906 4.199 -10.453 304 HE2 TYR 41 HE1 TYR 41 14.980 3.894 -6.675 305 HH TYR 41 HH TYR 41 14.321 5.291 -8.776 306 H LEU 42 HN LEU 42 22.313 3.486 -7.333 307 HA LEU 42 HA LEU 42 23.650 1.903 -5.255 308 1HB LEU 42 HB2 LEU 42 24.634 0.762 -7.135 309 2HB LEU 42 HB1 LEU 42 24.728 2.230 -8.089 310 HG LEU 42 HG LEU 42 26.469 3.117 -6.545 311 1HD1 LEU 42 HD13 LEU 42 25.776 0.582 -5.097 312 2HD1 LEU 42 HD11 LEU 42 27.451 1.122 -5.052 313 3HD1 LEU 42 HD12 LEU 42 26.171 2.166 -4.440 314 1HD2 LEU 42 HD21 LEU 42 26.896 0.398 -7.810 315 2HD2 LEU 42 HD22 LEU 42 27.351 1.974 -8.448 316 3HD2 LEU 42 HD23 LEU 42 28.223 1.294 -7.075 317 H GLN 43 HN GLN 43 24.501 3.320 -3.855 318 HA GLN 43 HA GLN 43 25.146 6.061 -4.880 319 1HB GLN 43 HB2 GLN 43 23.751 5.158 -2.330 320 2HB GLN 43 HB1 GLN 43 24.433 6.773 -2.487 321 1HG GLN 43 HG1 GLN 43 22.960 7.337 -4.281 322 2HG GLN 43 HG2 GLN 43 22.510 5.655 -4.547 323 1HE2 GLN 43 HE22 GLN 43 21.034 7.348 -1.100 324 2HE2 GLN 43 HE21 GLN 43 22.646 7.643 -1.541 325 H LYS 44 HN LYS 44 26.610 7.289 -3.461 326 HA LYS 44 HA LYS 44 28.681 5.481 -2.280 327 1HB LYS 44 HB2 LYS 44 28.991 7.178 -4.408 328 2HB LYS 44 HB1 LYS 44 29.383 8.284 -3.098 329 1HG LYS 44 HG1 LYS 44 31.457 7.264 -3.709 330 2HG LYS 44 HG2 LYS 44 30.964 6.455 -2.224 331 1HD LYS 44 HD1 LYS 44 30.238 4.512 -3.388 332 2HD LYS 44 HD2 LYS 44 30.193 5.351 -4.933 333 1HE LYS 44 HE1 LYS 44 32.229 4.346 -5.241 334 2HE LYS 44 HE2 LYS 44 32.815 5.697 -4.276 335 1HZ LYS 44 HZ1 LYS 44 32.151 4.073 -2.332 336 2HZ LYS 44 HZ2 LYS 44 32.438 2.900 -3.526 337 H ALA 45 HN ALA 45 30.081 7.960 -1.313 338 HA ALA 45 HA ALA 45 28.871 8.010 1.318 339 1HB ALA 45 HB2 ALA 45 31.171 9.443 -0.041 340 2HB ALA 45 HB3 ALA 45 30.632 9.980 1.547 341 3HB ALA 45 HB1 ALA 45 31.222 8.336 1.327 342 H GLY 46 HN GLY 46 29.720 10.893 -0.553 343 1HA GLY 46 HA1 GLY 46 26.992 11.990 0.024 344 2HA GLY 46 HA2 GLY 46 28.439 12.962 0.286 345 H GLN 47 HN GLN 47 27.480 10.780 -2.331 346 HA GLN 47 HA GLN 47 27.878 13.055 -4.234 347 1HB GLN 47 HB2 GLN 47 29.368 10.766 -4.121 348 2HB GLN 47 HB1 GLN 47 28.083 10.220 -5.191 349 1HG GLN 47 HG1 GLN 47 28.648 12.688 -6.263 350 2HG GLN 47 HG2 GLN 47 30.236 12.199 -5.679 351 1HE2 GLN 47 HE22 GLN 47 29.290 10.773 -9.146 352 2HE2 GLN 47 HE21 GLN 47 28.931 12.299 -8.498 353 H SER 48 HN SER 48 26.844 12.144 -6.493 354 HA SER 48 HA SER 48 23.974 12.030 -5.878 355 1HB SER 48 HB2 SER 48 23.881 12.151 -8.499 356 2HB SER 48 HB1 SER 48 24.610 13.547 -7.678 357 HG SER 48 HG SER 48 25.856 12.385 -9.433 358 HA PRO 49 HA PRO 49 23.451 7.730 -6.417 359 1HB PRO 49 HB2 PRO 49 20.879 7.983 -7.704 360 2HB PRO 49 HB1 PRO 49 21.189 7.666 -5.997 361 1HG PRO 49 HG1 PRO 49 20.224 10.118 -7.216 362 2HG PRO 49 HG2 PRO 49 20.437 9.767 -5.501 363 1HD PRO 49 HD1 PRO 49 22.061 11.474 -7.155 364 2HD PRO 49 HD2 PRO 49 22.307 11.074 -5.444 365 H LYS 50 HN LYS 50 23.464 6.115 -8.019 366 HA LYS 50 HA LYS 50 23.594 7.114 -10.841 367 1HB LYS 50 HB2 LYS 50 25.473 5.379 -9.235 368 2HB LYS 50 HB1 LYS 50 25.315 5.051 -10.957 369 1HG LYS 50 HG1 LYS 50 26.059 7.235 -11.552 370 2HG LYS 50 HG2 LYS 50 25.821 7.849 -9.919 371 1HD LYS 50 HD1 LYS 50 27.615 5.577 -9.851 372 2HD LYS 50 HD2 LYS 50 28.202 6.757 -11.016 373 1HE LYS 50 HE1 LYS 50 29.088 7.249 -8.767 374 2HE LYS 50 HE2 LYS 50 28.017 8.538 -9.300 375 1HZ LYS 50 HZ1 LYS 50 27.774 7.544 -6.943 376 2HZ LYS 50 HZ2 LYS 50 26.383 7.914 -7.846 377 H LEU 51 HN LEU 51 22.556 5.930 -12.346 378 HA LEU 51 HA LEU 51 20.912 3.664 -11.377 379 1HB LEU 51 HB2 LEU 51 19.764 5.394 -12.694 380 2HB LEU 51 HB1 LEU 51 20.955 5.265 -13.982 381 HG LEU 51 HG LEU 51 20.243 2.838 -14.273 382 1HD1 LEU 51 HD13 LEU 51 18.619 3.597 -11.954 383 2HD1 LEU 51 HD11 LEU 51 17.642 2.921 -13.252 384 3HD1 LEU 51 HD12 LEU 51 18.979 1.993 -12.584 385 1HD2 LEU 51 HD22 LEU 51 19.415 4.742 -15.698 386 2HD2 LEU 51 HD23 LEU 51 18.269 3.412 -15.571 387 3HD2 LEU 51 HD21 LEU 51 18.024 4.879 -14.628 388 H LEU 52 HN LEU 52 21.197 1.603 -11.984 389 HA LEU 52 HA LEU 52 23.432 1.048 -13.897 390 1HB LEU 52 HB2 LEU 52 22.378 -0.482 -11.477 391 2HB LEU 52 HB1 LEU 52 23.495 -1.203 -12.630 392 HG LEU 52 HG LEU 52 24.120 1.459 -11.344 393 1HD1 LEU 52 HD11 LEU 52 24.754 -1.305 -10.249 394 2HD1 LEU 52 HD12 LEU 52 25.387 0.210 -9.615 395 3HD1 LEU 52 HD13 LEU 52 23.663 -0.135 -9.511 396 1HD2 LEU 52 HD23 LEU 52 25.644 -0.749 -12.740 397 2HD2 LEU 52 HD21 LEU 52 25.604 0.969 -13.126 398 3HD2 LEU 52 HD22 LEU 52 26.477 0.406 -11.706 399 H ILE 53 HN ILE 53 20.616 -0.696 -12.605 400 HA ILE 53 HA ILE 53 20.029 -1.580 -15.404 401 HB ILE 53 HB ILE 53 19.387 -2.927 -12.746 402 1HG1 ILE 53 HG11 ILE 53 21.844 -2.828 -13.715 403 2HG1 ILE 53 HG12 ILE 53 21.208 -4.312 -13.019 404 1HG2 ILE 53 HG22 ILE 53 18.903 -3.702 -15.653 405 2HG2 ILE 53 HG23 ILE 53 18.845 -4.882 -14.345 406 3HG2 ILE 53 HG21 ILE 53 17.703 -3.542 -14.374 407 1HD1 ILE 53 HD13 ILE 53 20.971 -3.671 -15.962 408 2HD1 ILE 53 HD11 ILE 53 22.344 -4.548 -15.293 409 3HD1 ILE 53 HD12 ILE 53 20.723 -5.223 -15.172 410 OH TYR 54 OH TYR 54 17.511 0.187 -21.585 411 H TYR 54 HN TYR 54 17.982 -1.345 -16.172 412 HA TYR 54 HA TYR 54 15.941 -0.250 -14.290 413 1HB TYR 54 HB2 TYR 54 15.231 1.367 -16.031 414 2HB TYR 54 HB1 TYR 54 16.935 1.602 -15.666 415 HD1 TYR 54 HD2 TYR 54 18.667 0.603 -17.230 416 HD2 TYR 54 HD1 TYR 54 14.534 0.749 -18.230 417 HE1 TYR 54 HE2 TYR 54 19.225 0.300 -19.597 418 HE2 TYR 54 HE1 TYR 54 15.096 0.447 -20.594 419 HH TYR 54 HH TYR 54 18.100 0.901 -21.842 420 H LYS 55 HN LYS 55 13.732 -0.530 -15.004 421 HA LYS 55 HA LYS 55 11.976 -1.738 -15.986 422 1HB LYS 55 HB2 LYS 55 13.685 -1.451 -18.091 423 2HB LYS 55 HB1 LYS 55 13.797 -3.194 -17.888 424 1HG LYS 55 HG1 LYS 55 11.979 -2.935 -19.377 425 2HG LYS 55 HG2 LYS 55 11.198 -3.150 -17.816 426 1HD LYS 55 HD1 LYS 55 10.339 -1.048 -17.842 427 2HD LYS 55 HD2 LYS 55 11.869 -0.342 -18.347 428 1HE LYS 55 HE1 LYS 55 10.153 -1.895 -20.293 429 2HE LYS 55 HE2 LYS 55 9.865 -0.186 -19.989 430 1HZ LYS 55 HZ1 LYS 55 12.465 -1.324 -20.854 431 2HZ LYS 55 HZ2 LYS 55 11.340 -0.577 -21.887 432 H VAL 56 HN VAL 56 14.825 -3.863 -16.342 433 HA VAL 56 HA VAL 56 14.134 -5.479 -14.063 434 HB VAL 56 HB VAL 56 12.281 -6.177 -15.581 435 1HG1 VAL 56 HG11 VAL 56 13.559 -5.673 -17.707 436 2HG1 VAL 56 HG12 VAL 56 14.470 -7.157 -17.446 437 3HG1 VAL 56 HG13 VAL 56 12.733 -7.227 -17.720 438 1HG2 VAL 56 HG21 VAL 56 13.377 -7.831 -14.033 439 2HG2 VAL 56 HG22 VAL 56 12.668 -8.583 -15.458 440 3HG2 VAL 56 HG23 VAL 56 14.410 -8.338 -15.366 441 H SER 57 HN SER 57 15.840 -5.219 -17.133 442 HA SER 57 HA SER 57 18.206 -6.390 -15.817 443 1HB SER 57 HB2 SER 57 18.501 -8.185 -17.441 444 2HB SER 57 HB1 SER 57 16.802 -8.278 -16.938 445 HG SER 57 HG SER 57 17.883 -7.543 -19.348 446 H ASN 58 HN ASN 58 16.802 -4.733 -18.567 447 HA ASN 58 HA ASN 58 19.072 -4.329 -20.161 448 1HB ASN 58 HB2 ASN 58 16.632 -2.656 -19.529 449 2HB ASN 58 HB1 ASN 58 17.914 -1.958 -20.517 450 1HD2 ASN 58 HD22 ASN 58 15.421 -4.680 -22.142 451 2HD2 ASN 58 HD21 ASN 58 15.209 -4.100 -20.561 452 NH1 ARG 59 NH1 ARG 59 24.549 -6.530 -20.936 453 NH2 ARG 59 NH2 ARG 59 26.058 -7.340 -19.434 454 H ARG 59 HN ARG 59 20.934 -3.306 -19.913 455 HA ARG 59 HA ARG 59 21.424 -1.841 -17.394 456 1HB ARG 59 HB2 ARG 59 23.460 -2.287 -19.601 457 2HB ARG 59 HB1 ARG 59 23.738 -2.159 -17.870 458 1HG ARG 59 HG1 ARG 59 22.490 -4.327 -17.570 459 2HG ARG 59 HG2 ARG 59 22.409 -4.471 -19.322 460 1HD ARG 59 HD1 ARG 59 24.972 -4.203 -19.308 461 2HD ARG 59 HD2 ARG 59 24.880 -4.476 -17.567 462 HE ARG 59 HE ARG 59 23.733 -6.687 -18.177 463 1HH1 ARG 59 HH11 ARG 59 23.709 -6.016 -21.112 464 2HH1 ARG 59 HH12 ARG 59 25.057 -6.933 -21.695 465 1HH2 ARG 59 HH21 ARG 59 26.350 -7.430 -18.481 466 2HH2 ARG 59 HH22 ARG 59 26.593 -7.762 -20.164 467 H PHE 60 HN PHE 60 21.892 0.297 -17.253 468 HA PHE 60 HA PHE 60 20.954 2.047 -19.314 469 1HB PHE 60 HB2 PHE 60 21.016 2.733 -16.936 470 2HB PHE 60 HB1 PHE 60 22.773 2.582 -16.912 471 HD1 PHE 60 HD1 PHE 60 20.050 4.358 -18.782 472 HD2 PHE 60 HD2 PHE 60 24.076 4.475 -17.397 473 HE1 PHE 60 HE1 PHE 60 20.276 6.652 -19.626 474 HE2 PHE 60 HE2 PHE 60 24.297 6.769 -18.239 475 HZ PHE 60 HZ PHE 60 22.399 7.861 -19.354 476 H SER 61 HN SER 61 22.110 3.481 -20.654 477 HA SER 61 HA SER 61 24.353 2.360 -21.997 478 1HB SER 61 HB2 SER 61 24.535 4.793 -22.944 479 2HB SER 61 HB1 SER 61 22.962 3.999 -23.163 480 HG SER 61 HG SER 61 23.665 5.556 -20.892 481 H GLY 62 HN GLY 62 26.177 1.964 -20.895 482 1HA GLY 62 HA1 GLY 62 28.344 3.269 -20.439 483 2HA GLY 62 HA2 GLY 62 27.373 4.202 -19.305 484 H VAL 63 HN VAL 63 25.973 1.424 -18.898 485 HA VAL 63 HA VAL 63 27.545 0.756 -16.526 486 HB VAL 63 HB VAL 63 25.083 -0.569 -17.762 487 1HG1 VAL 63 HG13 VAL 63 26.615 -0.998 -15.207 488 2HG1 VAL 63 HG11 VAL 63 24.872 -1.246 -15.214 489 3HG1 VAL 63 HG12 VAL 63 25.901 -2.192 -16.286 490 1HG2 VAL 63 HG23 VAL 63 24.958 1.894 -16.982 491 2HG2 VAL 63 HG21 VAL 63 23.776 0.781 -16.302 492 3HG2 VAL 63 HG22 VAL 63 25.178 1.261 -15.354 493 HA PRO 64 HA PRO 64 30.094 -2.112 -18.780 494 1HB PRO 64 HB2 PRO 64 31.054 -3.142 -16.235 495 2HB PRO 64 HB1 PRO 64 31.907 -2.095 -17.367 496 1HG PRO 64 HG1 PRO 64 30.781 -1.372 -14.815 497 2HG PRO 64 HG2 PRO 64 31.610 -0.318 -15.961 498 1HD PRO 64 HD1 PRO 64 28.785 -0.404 -15.351 499 2HD PRO 64 HD2 PRO 64 29.621 0.670 -16.487 500 H ASP 65 HN ASP 65 30.141 -4.346 -19.124 501 HA ASP 65 HA ASP 65 27.740 -5.777 -18.637 502 1HB ASP 65 HB2 ASP 65 29.047 -7.739 -19.501 503 2HB ASP 65 HB1 ASP 65 29.353 -6.301 -20.473 504 NH1 ARG 66 NH2 ARG 66 36.320 -4.260 -15.962 505 NH2 ARG 66 NH1 ARG 66 36.359 -4.030 -13.699 506 H ARG 66 HN ARG 66 30.405 -5.245 -16.598 507 HA ARG 66 HA ARG 66 30.499 -7.608 -15.052 508 1HB ARG 66 HB2 ARG 66 30.977 -4.676 -14.414 509 2HB ARG 66 HB1 ARG 66 31.186 -5.914 -13.180 510 1HG ARG 66 HG1 ARG 66 32.831 -7.081 -14.580 511 2HG ARG 66 HG2 ARG 66 32.578 -5.923 -15.883 512 1HD ARG 66 HD1 ARG 66 33.406 -4.097 -14.460 513 2HD ARG 66 HD2 ARG 66 33.587 -5.211 -13.104 514 HE ARG 66 HE ARG 66 35.169 -6.427 -14.918 515 1HH1 ARG 66 HH21 ARG 66 35.937 -4.707 -16.770 516 2HH1 ARG 66 HH22 ARG 66 37.027 -3.562 -16.065 517 1HH2 ARG 66 HH11 ARG 66 36.007 -4.305 -12.805 518 2HH2 ARG 66 HH12 ARG 66 37.065 -3.325 -13.760 519 H PHE 67 HN PHE 67 27.993 -5.263 -15.263 520 HA PHE 67 HA PHE 67 26.778 -6.300 -12.733 521 1HB PHE 67 HB2 PHE 67 26.359 -3.760 -14.349 522 2HB PHE 67 HB1 PHE 67 25.154 -4.294 -13.192 523 HD1 PHE 67 HD2 PHE 67 28.720 -3.277 -13.530 524 HD2 PHE 67 HD1 PHE 67 25.505 -4.059 -10.845 525 HE1 PHE 67 HE2 PHE 67 30.014 -2.297 -11.685 526 HE2 PHE 67 HE1 PHE 67 26.800 -3.082 -9.010 527 HZ PHE 67 HZ PHE 67 29.053 -2.195 -9.424 528 H SER 68 HN SER 68 25.083 -7.598 -12.833 529 HA SER 68 HA SER 68 23.364 -7.556 -15.262 530 1HB SER 68 HB2 SER 68 25.326 -9.507 -14.971 531 2HB SER 68 HB1 SER 68 23.918 -10.295 -14.230 532 HG SER 68 HG SER 68 24.361 -9.921 -16.795 533 H GLY 69 HN GLY 69 21.303 -7.513 -14.694 534 1HA GLY 69 HA1 GLY 69 20.504 -8.781 -12.110 535 2HA GLY 69 HA2 GLY 69 19.983 -7.140 -12.486 536 H SER 70 HN SER 70 18.501 -9.686 -12.058 537 HA SER 70 HA SER 70 16.578 -9.313 -14.236 538 1HB SER 70 HB2 SER 70 18.480 -11.057 -14.959 539 2HB SER 70 HB1 SER 70 17.563 -12.164 -13.917 540 HG SER 70 HG SER 70 16.927 -11.651 -16.313 541 H GLY 71 HN GLY 71 14.869 -11.275 -13.968 542 1HA GLY 71 HA1 GLY 71 14.452 -12.526 -11.496 543 2HA GLY 71 HA2 GLY 71 13.801 -10.904 -11.304 544 H SER 72 HN SER 72 12.112 -12.946 -11.011 545 HA SER 72 HA SER 72 10.721 -13.431 -13.575 546 1HB SER 72 HB2 SER 72 10.253 -14.404 -10.709 547 2HB SER 72 HB1 SER 72 9.211 -14.857 -12.074 548 HG SER 72 HG SER 72 10.709 -16.235 -12.587 549 H GLY 73 HN GLY 73 9.167 -12.827 -10.455 550 1HA GLY 73 HA1 GLY 73 7.891 -10.385 -11.590 551 2HA GLY 73 HA2 GLY 73 6.851 -11.680 -11.011 552 H THR 74 HN THR 74 8.449 -12.417 -8.748 553 HA THR 74 HA THR 74 8.231 -9.934 -7.093 554 HB THR 74 HB THR 74 7.425 -11.436 -5.214 555 HG1 THR 74 HG1 THR 74 8.441 -13.300 -5.994 556 1HG2 THR 74 HG23 THR 74 5.940 -11.605 -7.886 557 2HG2 THR 74 HG21 THR 74 5.267 -12.277 -6.404 558 3HG2 THR 74 HG22 THR 74 5.562 -10.546 -6.531 559 H ASP 75 HN ASP 75 10.429 -11.678 -8.379 560 HA ASP 75 HA ASP 75 12.198 -11.567 -5.993 561 1HB ASP 75 HB2 ASP 75 11.802 -13.925 -7.884 562 2HB ASP 75 HB1 ASP 75 13.238 -13.771 -6.877 563 H PHE 76 HN PHE 76 13.794 -10.247 -6.478 564 HA PHE 76 HA PHE 76 15.018 -10.423 -9.197 565 1HB PHE 76 HB2 PHE 76 14.622 -7.839 -7.618 566 2HB PHE 76 HB1 PHE 76 15.158 -7.989 -9.291 567 HD1 PHE 76 HD1 PHE 76 13.548 -8.753 -11.045 568 HD2 PHE 76 HD2 PHE 76 12.276 -8.013 -7.046 569 HE1 PHE 76 HE1 PHE 76 11.209 -8.733 -11.788 570 HE2 PHE 76 HE2 PHE 76 9.939 -7.986 -7.797 571 HZ PHE 76 HZ PHE 76 9.405 -8.341 -10.169 572 H THR 77 HN THR 77 17.228 -10.179 -9.284 573 HA THR 77 HA THR 77 18.658 -9.610 -6.737 574 HB THR 77 HB THR 77 19.160 -12.072 -8.510 575 HG1 THR 77 HG1 THR 77 18.498 -12.309 -5.857 576 1HG2 THR 77 HG23 THR 77 21.125 -10.968 -7.076 577 2HG2 THR 77 HG21 THR 77 20.204 -11.554 -5.694 578 3HG2 THR 77 HG22 THR 77 20.824 -12.692 -6.885 579 H LEU 78 HN LEU 78 20.561 -8.603 -6.954 580 HA LEU 78 HA LEU 78 21.445 -7.891 -9.723 581 1HB LEU 78 HB2 LEU 78 20.776 -6.044 -8.123 582 2HB LEU 78 HB1 LEU 78 22.052 -6.562 -7.036 583 HG LEU 78 HG LEU 78 22.854 -5.982 -9.873 584 1HD1 LEU 78 HD11 LEU 78 22.184 -3.841 -7.821 585 2HD1 LEU 78 HD12 LEU 78 22.965 -3.563 -9.375 586 3HD1 LEU 78 HD13 LEU 78 21.300 -4.134 -9.316 587 1HD2 LEU 78 HD22 LEU 78 24.005 -5.585 -7.097 588 2HD2 LEU 78 HD23 LEU 78 24.579 -6.675 -8.355 589 3HD2 LEU 78 HD21 LEU 78 24.770 -4.935 -8.543 590 H LYS 79 HN LYS 79 23.066 -9.178 -10.361 591 HA LYS 79 HA LYS 79 25.037 -10.068 -8.311 592 1HB LYS 79 HB2 LYS 79 24.627 -11.171 -11.119 593 2HB LYS 79 HB1 LYS 79 25.516 -11.928 -9.802 594 1HG LYS 79 HG1 LYS 79 23.316 -11.905 -8.486 595 2HG LYS 79 HG2 LYS 79 22.526 -11.473 -9.998 596 1HD LYS 79 HD1 LYS 79 23.948 -13.565 -10.896 597 2HD LYS 79 HD2 LYS 79 23.832 -14.047 -9.207 598 1HE LYS 79 HE1 LYS 79 21.411 -13.934 -9.270 599 2HE LYS 79 HE2 LYS 79 21.439 -13.221 -10.880 600 1HZ LYS 79 HZ1 LYS 79 21.361 -15.258 -11.693 601 2HZ LYS 79 HZ2 LYS 79 22.896 -15.568 -11.028 602 H ILE 80 HN ILE 80 27.206 -9.915 -8.636 603 HA ILE 80 HA ILE 80 28.109 -8.209 -10.921 604 HB ILE 80 HB ILE 80 29.213 -8.184 -8.068 605 1HG1 ILE 80 HG11 ILE 80 27.365 -6.183 -9.424 606 2HG1 ILE 80 HG12 ILE 80 26.898 -7.294 -8.140 607 1HG2 ILE 80 HG23 ILE 80 30.601 -7.451 -10.205 608 2HG2 ILE 80 HG21 ILE 80 29.549 -6.039 -10.198 609 3HG2 ILE 80 HG22 ILE 80 30.584 -6.375 -8.812 610 1HD1 ILE 80 HD13 ILE 80 28.716 -6.249 -6.704 611 2HD1 ILE 80 HD11 ILE 80 28.911 -5.029 -7.960 612 3HD1 ILE 80 HD12 ILE 80 27.383 -5.168 -7.096 613 H SER 81 HN SER 81 29.808 -8.891 -12.019 614 HA SER 81 HA SER 81 30.669 -11.569 -11.582 615 1HB SER 81 HB2 SER 81 31.747 -9.353 -13.383 616 2HB SER 81 HB1 SER 81 32.368 -11.017 -13.422 617 HG SER 81 HG SER 81 30.180 -10.113 -14.575 618 NH1 ARG 82 NH2 ARG 82 39.021 -8.163 -11.934 619 NH2 ARG 82 NH1 ARG 82 39.238 -9.524 -13.746 620 H ARG 82 HN ARG 82 32.511 -8.527 -11.288 621 HA ARG 82 HA ARG 82 34.139 -9.880 -9.195 622 1HB ARG 82 HB2 ARG 82 36.045 -8.322 -10.371 623 2HB ARG 82 HB1 ARG 82 35.776 -9.994 -10.842 624 1HG ARG 82 HG1 ARG 82 34.427 -9.346 -12.722 625 2HG ARG 82 HG2 ARG 82 34.317 -7.683 -12.154 626 1HD ARG 82 HD1 ARG 82 36.013 -8.148 -14.043 627 2HD ARG 82 HD2 ARG 82 36.614 -7.252 -12.649 628 HE ARG 82 HE ARG 82 36.968 -10.182 -12.537 629 1HH1 ARG 82 HH21 ARG 82 38.435 -7.770 -11.224 630 2HH1 ARG 82 HH22 ARG 82 39.991 -7.930 -11.965 631 1HH2 ARG 82 HH11 ARG 82 38.815 -10.154 -14.397 632 2HH2 ARG 82 HH12 ARG 82 40.212 -9.317 -13.812 633 H VAL 83 HN VAL 83 33.722 -8.750 -7.438 634 HA VAL 83 HA VAL 83 32.924 -5.974 -7.475 635 HB VAL 83 HB VAL 83 33.867 -7.801 -5.212 636 1HG1 VAL 83 HG13 VAL 83 32.667 -5.015 -5.206 637 2HG1 VAL 83 HG11 VAL 83 32.588 -6.072 -3.800 638 3HG1 VAL 83 HG12 VAL 83 34.151 -5.554 -4.425 639 1HG2 VAL 83 HG22 VAL 83 31.550 -7.903 -6.746 640 2HG2 VAL 83 HG23 VAL 83 31.724 -8.576 -5.128 641 3HG2 VAL 83 HG21 VAL 83 31.047 -6.964 -5.344 642 H GLU 84 HN GLU 84 34.119 -4.194 -7.401 643 HA GLU 84 HA GLU 84 37.055 -4.488 -6.893 644 1HB GLU 84 HB2 GLU 84 35.753 -2.145 -8.335 645 2HB GLU 84 HB1 GLU 84 37.414 -2.706 -8.460 646 1HG GLU 84 HG1 GLU 84 35.503 -4.789 -9.243 647 2HG GLU 84 HG2 GLU 84 35.325 -3.338 -10.216 648 H ALA 85 HN ALA 85 37.809 -1.942 -6.404 649 HA ALA 85 HA ALA 85 36.783 -1.525 -3.717 650 1HB ALA 85 HB2 ALA 85 39.179 -1.060 -4.513 651 2HB ALA 85 HB3 ALA 85 38.549 0.361 -5.341 652 3HB ALA 85 HB1 ALA 85 38.450 0.248 -3.586 653 H GLU 86 HN GLU 86 36.194 -0.077 -6.837 654 HA GLU 86 HA GLU 86 34.872 2.294 -5.831 655 1HB GLU 86 HB2 GLU 86 34.587 0.865 -8.521 656 2HB GLU 86 HB1 GLU 86 34.061 2.510 -8.183 657 1HG GLU 86 HG1 GLU 86 36.487 3.010 -7.521 658 2HG GLU 86 HG2 GLU 86 36.902 1.448 -8.220 659 H ASP 87 HN ASP 87 33.724 -0.856 -6.972 660 HA ASP 87 HA ASP 87 30.962 -0.469 -6.969 661 1HB ASP 87 HB2 ASP 87 32.575 -2.856 -5.953 662 2HB ASP 87 HB1 ASP 87 30.848 -2.914 -6.288 663 H LEU 88 HN LEU 88 33.077 -0.947 -4.197 664 HA LEU 88 HA LEU 88 31.292 -1.492 -2.150 665 1HB LEU 88 HB2 LEU 88 33.526 0.584 -2.039 666 2HB LEU 88 HB1 LEU 88 32.839 -0.255 -0.656 667 HG LEU 88 HG LEU 88 34.237 -1.628 -2.980 668 1HD1 LEU 88 HD12 LEU 88 35.681 -0.184 -1.437 669 2HD1 LEU 88 HD13 LEU 88 35.228 -1.283 -0.137 670 3HD1 LEU 88 HD11 LEU 88 36.127 -1.885 -1.526 671 1HD2 LEU 88 HD23 LEU 88 32.783 -2.542 -0.530 672 2HD2 LEU 88 HD21 LEU 88 32.888 -3.298 -2.117 673 3HD2 LEU 88 HD22 LEU 88 34.232 -3.430 -0.989 674 H GLY 89 HN GLY 89 29.748 -0.467 -1.049 675 1HA GLY 89 HA1 GLY 89 29.263 2.165 -0.503 676 2HA GLY 89 HA2 GLY 89 28.696 2.040 -2.166 677 H ILE 90 HN ILE 90 26.520 2.325 -1.733 678 HA ILE 90 HA ILE 90 25.229 0.124 -0.161 679 HB ILE 90 HB ILE 90 24.078 2.929 -0.473 680 1HG1 ILE 90 HG11 ILE 90 24.969 2.984 2.061 681 2HG1 ILE 90 HG12 ILE 90 26.213 1.947 1.377 682 1HG2 ILE 90 HG22 ILE 90 22.597 1.034 0.288 683 2HG2 ILE 90 HG23 ILE 90 23.709 0.723 1.617 684 3HG2 ILE 90 HG21 ILE 90 22.812 2.237 1.556 685 1HD1 ILE 90 HD13 ILE 90 26.107 3.868 -0.545 686 2HD1 ILE 90 HD11 ILE 90 25.645 4.823 0.860 687 3HD1 ILE 90 HD12 ILE 90 27.183 3.966 0.846 688 OH TYR 91 OH TYR 91 27.129 -1.933 -7.167 689 H TYR 91 HN TYR 91 23.464 -0.844 -1.040 690 HA TYR 91 HA TYR 91 22.663 0.083 -3.780 691 1HB TYR 91 HB2 TYR 91 23.133 -2.651 -2.579 692 2HB TYR 91 HB1 TYR 91 21.973 -2.493 -3.895 693 HD1 TYR 91 HD2 TYR 91 25.516 -2.113 -2.948 694 HD2 TYR 91 HD1 TYR 91 22.719 -1.897 -6.148 695 HE1 TYR 91 HE2 TYR 91 27.361 -2.070 -4.559 696 HE2 TYR 91 HE1 TYR 91 24.566 -1.866 -7.763 697 HH TYR 91 HH TYR 91 27.753 -1.265 -6.874 698 H PHE 92 HN PHE 92 20.504 -0.111 -4.390 699 HA PHE 92 HA PHE 92 18.520 -0.870 -2.318 700 1HB PHE 92 HB2 PHE 92 18.805 1.880 -3.605 701 2HB PHE 92 HB1 PHE 92 17.288 1.347 -2.887 702 HD1 PHE 92 HD2 PHE 92 17.206 0.812 -0.425 703 HD2 PHE 92 HD1 PHE 92 20.665 2.533 -2.224 704 HE1 PHE 92 HE2 PHE 92 18.028 1.483 1.789 705 HE2 PHE 92 HE1 PHE 92 21.484 3.196 -0.010 706 HZ PHE 92 HZ PHE 92 20.170 2.671 2.000 707 H CYS 93 HN CYS 93 16.305 -0.915 -3.198 708 HA CYS 93 HA CYS 93 16.188 -1.144 -6.167 709 1HB CYS 93 HB2 CYS 93 14.658 -3.221 -5.637 710 2HB CYS 93 HB1 CYS 93 16.388 -3.422 -5.682 711 H SER 94 HN SER 94 14.304 -0.370 -7.021 712 HA SER 94 HA SER 94 12.029 0.083 -5.146 713 1HB SER 94 HB2 SER 94 11.802 2.431 -6.173 714 2HB SER 94 HB1 SER 94 13.271 2.220 -5.199 715 HG SER 94 HG SER 94 13.178 1.611 -7.967 716 H GLN 95 HN GLN 95 10.007 0.422 -6.131 717 HA GLN 95 HA GLN 95 9.872 -0.524 -8.969 718 1HB GLN 95 HB2 GLN 95 7.643 -1.538 -8.273 719 2HB GLN 95 HB1 GLN 95 9.022 -2.257 -7.454 720 1HG GLN 95 HG1 GLN 95 8.377 -1.463 -5.409 721 2HG GLN 95 HG2 GLN 95 7.898 0.099 -6.061 722 1HE2 GLN 95 HE22 GLN 95 4.504 -0.839 -6.541 723 2HE2 GLN 95 HE21 GLN 95 5.701 0.298 -6.934 724 H THR 96 HN THR 96 8.208 0.301 -10.260 725 HA THR 96 HA THR 96 6.867 2.763 -9.203 726 HB THR 96 HB THR 96 7.297 3.830 -11.444 727 HG1 THR 96 HG1 THR 96 7.230 1.971 -12.667 728 1HG2 THR 96 HG23 THR 96 9.248 3.621 -9.612 729 2HG2 THR 96 HG21 THR 96 9.923 2.454 -10.745 730 3HG2 THR 96 HG22 THR 96 9.672 4.124 -11.245 731 H THR 97 HN THR 97 5.938 -0.011 -9.539 732 HA THR 97 HA THR 97 4.082 0.044 -11.811 733 HB THR 97 HB THR 97 3.784 -1.947 -9.550 734 HG1 THR 97 HG1 THR 97 5.756 -2.748 -11.059 735 1HG2 THR 97 HG21 THR 97 2.662 -2.131 -11.883 736 2HG2 THR 97 HG22 THR 97 4.282 -2.295 -12.555 737 3HG2 THR 97 HG23 THR 97 3.663 -3.514 -11.446 738 H HIS 98 HN HIS 98 3.639 -0.190 -8.278 739 HA HIS 98 HA HIS 98 0.910 0.958 -8.660 740 1HB HIS 98 HB2 HIS 98 2.157 -0.624 -6.363 741 2HB HIS 98 HB1 HIS 98 0.521 0.031 -6.329 742 HD2 HIS 98 HD2 HIS 98 2.549 -2.850 -8.007 743 HE1 HIS 98 HE1 HIS 98 -1.408 -3.235 -9.152 744 H VAL 99 HN VAL 99 0.126 2.460 -7.073 745 HA VAL 99 HA VAL 99 2.294 4.266 -6.093 746 HB VAL 99 HB VAL 99 -0.641 4.878 -6.709 747 1HG1 VAL 99 HG12 VAL 99 0.545 6.406 -5.077 748 2HG1 VAL 99 HG13 VAL 99 1.699 6.779 -6.354 749 3HG1 VAL 99 HG11 VAL 99 0.004 7.209 -6.547 750 1HG2 VAL 99 HG21 VAL 99 1.882 5.114 -8.363 751 2HG2 VAL 99 HG22 VAL 99 0.358 4.352 -8.805 752 3HG2 VAL 99 HG23 VAL 99 0.468 6.106 -8.701 753 HA PRO 100 HA PRO 100 2.583 5.847 -4.829 754 1HB PRO 100 HB2 PRO 100 4.017 5.791 -2.373 755 2HB PRO 100 HB1 PRO 100 2.838 7.010 -2.855 756 1HG PRO 100 HG1 PRO 100 2.563 4.946 -0.821 757 2HG PRO 100 HG2 PRO 100 1.439 6.249 -1.212 758 1HD PRO 100 HD1 PRO 100 1.219 3.432 -1.884 759 2HD PRO 100 HD2 PRO 100 0.049 4.727 -2.199 760 HA PRO 101 HA PRO 101 5.905 3.151 -5.760 761 1HB PRO 101 HB2 PRO 101 8.017 5.089 -5.435 762 2HB PRO 101 HB1 PRO 101 7.201 4.655 -6.936 763 1HG PRO 101 HG1 PRO 101 6.944 7.107 -5.408 764 2HG PRO 101 HG2 PRO 101 6.189 6.706 -6.951 765 1HD PRO 101 HD1 PRO 101 4.939 6.836 -4.350 766 2HD PRO 101 HD2 PRO 101 4.179 6.433 -5.901 767 H THR 102 HN THR 102 6.644 1.648 -4.349 768 HA THR 102 HA THR 102 7.522 2.497 -1.657 769 HB THR 102 HB THR 102 7.659 -0.083 -1.323 770 HG1 THR 102 HG1 THR 102 6.938 -1.256 -3.061 771 1HG2 THR 102 HG22 THR 102 5.399 1.556 -1.355 772 2HG2 THR 102 HG23 THR 102 4.979 0.364 -2.580 773 3HG2 THR 102 HG21 THR 102 5.348 -0.153 -0.939 774 H PHE 103 HN PHE 103 9.568 2.478 -0.949 775 HA PHE 103 HA PHE 103 11.698 2.089 -2.940 776 1HB PHE 103 HB2 PHE 103 11.313 3.718 -0.643 777 2HB PHE 103 HB1 PHE 103 12.623 2.619 -0.216 778 HD1 PHE 103 HD2 PHE 103 11.491 4.934 -2.926 779 HD2 PHE 103 HD1 PHE 103 14.802 2.999 -1.067 780 HE1 PHE 103 HE2 PHE 103 13.039 6.244 -4.311 781 HE2 PHE 103 HE1 PHE 103 16.344 4.309 -2.456 782 HZ PHE 103 HZ PHE 103 15.467 5.935 -4.076 783 H GLY 104 HN GLY 104 13.807 1.119 -1.852 784 1HA GLY 104 HA1 GLY 104 13.085 -1.669 -1.168 785 2HA GLY 104 HA2 GLY 104 14.677 -1.112 -1.669 786 H GLY 105 HN GLY 105 15.017 -2.640 0.287 787 1HA GLY 105 HA1 GLY 105 14.609 -1.399 2.915 788 2HA GLY 105 HA2 GLY 105 15.428 -2.927 2.612 789 H GLY 106 HN GLY 106 17.599 -2.670 1.442 790 1HA GLY 106 HA1 GLY 106 19.333 -0.750 1.054 791 2HA GLY 106 HA2 GLY 106 19.065 -0.430 2.764 792 H THR 107 HN THR 107 20.996 -2.009 0.597 793 HA THR 107 HA THR 107 21.916 -3.975 2.665 794 HB THR 107 HB THR 107 22.059 -4.043 -0.408 795 HG1 THR 107 HG1 THR 107 20.860 -5.551 1.686 796 1HG2 THR 107 HG21 THR 107 23.341 -5.783 1.762 797 2HG2 THR 107 HG22 THR 107 22.925 -6.463 0.192 798 3HG2 THR 107 HG23 THR 107 24.108 -5.162 0.303 799 H LYS 108 HN LYS 108 23.839 -3.579 3.535 800 HA LYS 108 HA LYS 108 25.545 -1.470 2.351 801 1HB LYS 108 HB2 LYS 108 25.385 -2.905 5.012 802 2HB LYS 108 HB1 LYS 108 26.875 -2.075 4.581 803 1HG LYS 108 HG1 LYS 108 25.699 0.032 4.310 804 2HG LYS 108 HG2 LYS 108 24.139 -0.761 4.511 805 1HD LYS 108 HD1 LYS 108 24.495 -1.157 6.810 806 2HD LYS 108 HD2 LYS 108 26.239 -0.971 6.668 807 1HE LYS 108 HE1 LYS 108 24.891 1.447 5.793 808 2HE LYS 108 HE2 LYS 108 24.376 1.014 7.418 809 1HZ LYS 108 HZ1 LYS 108 26.584 1.037 8.189 810 2HZ LYS 108 HZ2 LYS 108 27.225 1.103 6.614 811 H LEU 109 HN LEU 109 27.329 -1.865 1.231 812 HA LEU 109 HA LEU 109 28.516 -4.614 1.372 813 1HB LEU 109 HB2 LEU 109 27.307 -3.632 -0.823 814 2HB LEU 109 HB1 LEU 109 28.860 -2.839 -1.049 815 HG LEU 109 HG LEU 109 29.119 -5.680 -0.318 816 1HD1 LEU 109 HD13 LEU 109 27.655 -4.848 -2.842 817 2HD1 LEU 109 HD11 LEU 109 28.432 -6.417 -2.654 818 3HD1 LEU 109 HD12 LEU 109 27.092 -5.967 -1.603 819 1HD2 LEU 109 HD21 LEU 109 30.130 -3.916 -2.577 820 2HD2 LEU 109 HD22 LEU 109 31.014 -4.381 -1.126 821 3HD2 LEU 109 HD23 LEU 109 30.623 -5.590 -2.344 822 H GLU 110 HN GLU 110 30.014 -4.066 2.924 823 HA GLU 110 HA GLU 110 32.037 -2.014 2.123 824 1HB GLU 110 HB2 GLU 110 31.009 -3.041 4.775 825 2HB GLU 110 HB1 GLU 110 32.651 -2.413 4.696 826 1HG GLU 110 HG1 GLU 110 30.445 -0.788 3.462 827 2HG GLU 110 HG2 GLU 110 30.603 -0.791 5.215 828 H ILE 111 HN ILE 111 34.167 -2.542 2.057 829 HA ILE 111 HA ILE 111 34.861 -5.274 1.539 830 HB ILE 111 HB ILE 111 36.077 -3.332 0.560 831 1HG1 ILE 111 HG11 ILE 111 38.005 -4.862 2.326 832 2HG1 ILE 111 HG12 ILE 111 37.174 -5.633 0.980 833 1HG2 ILE 111 HG22 ILE 111 35.900 -2.187 2.952 834 2HG2 ILE 111 HG23 ILE 111 37.441 -2.984 3.236 835 3HG2 ILE 111 HG21 ILE 111 37.281 -1.820 1.924 836 1HD1 ILE 111 HD11 ILE 111 38.062 -3.831 -0.531 837 2HD1 ILE 111 HD12 ILE 111 38.995 -3.207 0.827 838 3HD1 ILE 111 HD13 ILE 111 39.331 -4.816 0.193 839 H LYS 112 HN LYS 112 36.171 -6.702 2.713 840 HA LYS 112 HA LYS 112 35.664 -6.803 5.523 841 1HB LYS 112 HB2 LYS 112 36.298 -8.732 3.917 842 2HB LYS 112 HB1 LYS 112 37.965 -8.195 4.086 843 1HG LYS 112 HG1 LYS 112 36.584 -8.445 6.669 844 2HG LYS 112 HG2 LYS 112 36.659 -9.966 5.788 845 1HD LYS 112 HD1 LYS 112 39.079 -9.784 5.565 846 2HD LYS 112 HD2 LYS 112 39.063 -8.167 6.261 847 1HE LYS 112 HE1 LYS 112 38.817 -8.948 8.404 848 2HE LYS 112 HE2 LYS 112 37.789 -10.287 7.910 849 1HZ LYS 112 HZ1 LYS 112 40.539 -10.303 8.461 850 2HZ LYS 112 HZ2 LYS 112 39.534 -11.609 8.045 851 NH1 ARG 113 NH2 ARG 113 36.399 -2.091 11.016 852 NH2 ARG 113 NH1 ARG 113 35.253 -0.204 10.458 853 H ARG 113 HN ARG 113 36.561 -5.679 7.095 854 HA ARG 113 HA ARG 113 39.150 -4.308 6.608 855 1HB ARG 113 HB2 ARG 113 36.905 -4.007 8.634 856 2HB ARG 113 HB1 ARG 113 38.469 -3.248 8.913 857 1HG ARG 113 HG1 ARG 113 38.271 -1.853 7.021 858 2HG ARG 113 HG2 ARG 113 37.051 -2.879 6.274 859 1HD ARG 113 HD1 ARG 113 35.989 -0.852 7.177 860 2HD ARG 113 HD2 ARG 113 35.457 -2.258 8.099 861 HE ARG 113 HE ARG 113 37.701 -0.547 9.095 862 1HH1 ARG 113 HH21 ARG 113 37.099 -2.765 10.781 863 2HH1 ARG 113 HH22 ARG 113 35.886 -2.179 11.867 864 1HH2 ARG 113 HH11 ARG 113 35.093 0.535 9.804 865 2HH2 ARG 113 HH12 ARG 113 34.719 -0.252 11.300 Start of MODEL 4 Raw file had 865 H/Q atoms Start of MODEL 4 1 1H ASP 1 HT1 ASP 1 0.422 -3.221 -5.515 2 2H ASP 1 HT2 ASP 1 1.448 -3.746 -4.268 3 3H ASP 1 HT3 ASP 1 -0.230 -3.982 -4.144 4 HA ASP 1 HA ASP 1 -0.064 -2.159 -2.843 5 1HB ASP 1 HB2 ASP 1 1.633 -0.264 -3.719 6 2HB ASP 1 HB1 ASP 1 2.237 -1.635 -2.792 7 H VAL 2 HN VAL 2 -0.739 0.073 -3.035 8 HA VAL 2 HA VAL 2 -2.651 0.255 -5.181 9 HB VAL 2 HB VAL 2 -1.836 2.344 -3.105 10 1HG1 VAL 2 HG13 VAL 2 -4.305 2.046 -4.853 11 2HG1 VAL 2 HG11 VAL 2 -4.178 3.184 -3.516 12 3HG1 VAL 2 HG12 VAL 2 -3.123 3.350 -4.916 13 1HG2 VAL 2 HG21 VAL 2 -3.486 -0.121 -2.985 14 2HG2 VAL 2 HG22 VAL 2 -2.654 0.737 -1.692 15 3HG2 VAL 2 HG23 VAL 2 -4.219 1.307 -2.261 16 H VAL 3 HN VAL 3 -1.918 0.688 -7.171 17 HA VAL 3 HA VAL 3 0.434 2.273 -7.709 18 HB VAL 3 HB VAL 3 -1.701 1.910 -9.805 19 1HG1 VAL 3 HG13 VAL 3 0.526 2.840 -10.365 20 2HG1 VAL 3 HG11 VAL 3 1.291 1.387 -9.731 21 3HG1 VAL 3 HG12 VAL 3 0.272 1.293 -11.163 22 1HG2 VAL 3 HG21 VAL 3 -0.313 -0.317 -8.314 23 2HG2 VAL 3 HG22 VAL 3 -1.991 -0.222 -8.844 24 3HG2 VAL 3 HG23 VAL 3 -0.712 -0.515 -10.017 25 H MET 4 HN MET 4 0.430 4.224 -9.081 26 HA MET 4 HA MET 4 -1.954 5.963 -8.753 27 1HB MET 4 HB2 MET 4 0.663 6.232 -7.363 28 2HB MET 4 HB1 MET 4 0.120 7.708 -8.152 29 1HG MET 4 HG1 MET 4 -2.129 7.329 -7.043 30 2HG MET 4 HG2 MET 4 -1.379 6.060 -6.113 31 1HE MET 4 HE3 MET 4 -2.970 8.941 -5.770 32 2HE MET 4 HE1 MET 4 -2.883 7.928 -4.329 33 3HE MET 4 HE2 MET 4 -2.348 9.607 -4.260 34 H THR 5 HN THR 5 -2.368 6.522 -10.784 35 HA THR 5 HA THR 5 -0.291 6.761 -12.814 36 HB THR 5 HB THR 5 -3.196 7.744 -13.009 37 HG1 THR 5 HG1 THR 5 -3.752 5.689 -13.043 38 1HG2 THR 5 HG21 THR 5 -1.217 6.448 -14.968 39 2HG2 THR 5 HG22 THR 5 -2.886 6.846 -15.360 40 3HG2 THR 5 HG23 THR 5 -1.732 8.131 -15.021 41 H GLN 6 HN GLN 6 1.050 8.473 -12.750 42 HA GLN 6 HA GLN 6 -0.010 11.095 -11.826 43 1HB GLN 6 HB2 GLN 6 2.825 10.161 -12.462 44 2HB GLN 6 HB1 GLN 6 2.412 11.744 -11.814 45 1HG GLN 6 HG1 GLN 6 2.188 10.924 -9.713 46 2HG GLN 6 HG2 GLN 6 1.180 9.594 -10.270 47 1HE2 GLN 6 HE22 GLN 6 3.903 7.520 -9.351 48 2HE2 GLN 6 HE21 GLN 6 2.318 8.000 -8.984 49 H THR 7 HN THR 7 -0.375 12.730 -13.122 50 HA THR 7 HA THR 7 1.034 13.137 -15.633 51 HB THR 7 HB THR 7 -1.681 13.087 -16.561 52 HG1 THR 7 HG1 THR 7 -0.944 10.688 -15.237 53 1HG2 THR 7 HG21 THR 7 0.851 11.547 -16.989 54 2HG2 THR 7 HG22 THR 7 -0.611 10.633 -17.348 55 3HG2 THR 7 HG23 THR 7 -0.288 12.144 -18.191 56 HA PRO 8 HA PRO 8 0.465 14.128 -17.470 57 1HB PRO 8 HB2 PRO 8 1.382 16.603 -18.470 58 2HB PRO 8 HB1 PRO 8 -0.179 15.875 -18.853 59 1HG PRO 8 HG1 PRO 8 0.385 18.216 -17.182 60 2HG PRO 8 HG2 PRO 8 -1.171 17.644 -17.784 61 1HD PRO 8 HD1 PRO 8 -0.090 17.374 -15.110 62 2HD PRO 8 HD2 PRO 8 -1.667 16.821 -15.708 63 H LEU 9 HN LEU 9 2.722 14.467 -18.497 64 HA LEU 9 HA LEU 9 4.690 14.443 -16.311 65 1HB LEU 9 HB2 LEU 9 4.592 13.684 -19.211 66 2HB LEU 9 HB1 LEU 9 6.164 14.201 -18.617 67 HG LEU 9 HG LEU 9 5.829 12.551 -16.684 68 1HD1 LEU 9 HD13 LEU 9 3.621 11.621 -18.556 69 2HD1 LEU 9 HD11 LEU 9 4.212 10.710 -17.170 70 3HD1 LEU 9 HD12 LEU 9 3.398 12.253 -16.928 71 1HD2 LEU 9 HD21 LEU 9 5.952 11.486 -19.528 72 2HD2 LEU 9 HD22 LEU 9 7.320 12.086 -18.596 73 3HD2 LEU 9 HD23 LEU 9 6.491 10.616 -18.095 74 H SER 10 HN SER 10 3.897 16.390 -19.122 75 HA SER 10 HA SER 10 5.656 18.560 -18.050 76 1HB SER 10 HB2 SER 10 5.207 17.761 -20.981 77 2HB SER 10 HB1 SER 10 6.179 19.146 -20.445 78 HG SER 10 HG SER 10 6.932 17.106 -18.981 79 H LEU 11 HN LEU 11 4.779 20.631 -18.153 80 HA LEU 11 HA LEU 11 2.102 20.858 -19.450 81 1HB LEU 11 HB2 LEU 11 2.053 20.380 -16.897 82 2HB LEU 11 HB1 LEU 11 2.688 22.007 -16.697 83 HG LEU 11 HG LEU 11 0.672 22.593 -18.373 84 1HD1 LEU 11 HD13 LEU 11 0.173 20.009 -18.323 85 2HD1 LEU 11 HD11 LEU 11 -0.576 20.368 -16.770 86 3HD1 LEU 11 HD12 LEU 11 -1.170 21.144 -18.234 87 1HD2 LEU 11 HD21 LEU 11 0.668 22.193 -15.382 88 2HD2 LEU 11 HD22 LEU 11 0.732 23.700 -16.290 89 3HD2 LEU 11 HD23 LEU 11 -0.772 22.790 -16.200 90 HA PRO 12 HA PRO 12 4.702 24.495 -20.497 91 1HB PRO 12 HB2 PRO 12 3.565 24.445 -23.142 92 2HB PRO 12 HB1 PRO 12 5.201 23.964 -22.692 93 1HG PRO 12 HG1 PRO 12 2.996 22.258 -23.494 94 2HG PRO 12 HG2 PRO 12 4.651 21.783 -23.115 95 1HD PRO 12 HD1 PRO 12 2.276 21.399 -21.502 96 2HD PRO 12 HD2 PRO 12 3.935 20.888 -21.136 97 H VAL 13 HN VAL 13 3.768 26.376 -19.869 98 HA VAL 13 HA VAL 13 1.080 27.050 -20.958 99 HB VAL 13 HB VAL 13 0.264 27.666 -18.705 100 1HG1 VAL 13 HG12 VAL 13 0.227 25.213 -19.580 101 2HG1 VAL 13 HG13 VAL 13 1.490 24.924 -18.389 102 3HG1 VAL 13 HG11 VAL 13 -0.097 25.481 -17.871 103 1HG2 VAL 13 HG21 VAL 13 3.129 27.111 -18.016 104 2HG2 VAL 13 HG22 VAL 13 2.064 28.381 -17.421 105 3HG2 VAL 13 HG23 VAL 13 1.911 26.740 -16.799 106 H SER 14 HN SER 14 0.453 29.288 -19.943 107 HA SER 14 HA SER 14 2.771 31.102 -20.455 108 1HB SER 14 HB2 SER 14 0.834 31.319 -22.048 109 2HB SER 14 HB1 SER 14 -0.247 31.630 -20.675 110 HG SER 14 HG SER 14 0.436 33.612 -20.763 111 H LEU 15 HN LEU 15 2.406 33.305 -19.318 112 HA LEU 15 HA LEU 15 2.034 32.673 -16.457 113 1HB LEU 15 HB2 LEU 15 3.062 35.151 -17.911 114 2HB LEU 15 HB1 LEU 15 2.975 35.005 -16.158 115 HG LEU 15 HG LEU 15 4.426 32.980 -17.884 116 1HD1 LEU 15 HD11 LEU 15 5.393 35.308 -18.113 117 2HD1 LEU 15 HD12 LEU 15 5.663 35.300 -16.373 118 3HD1 LEU 15 HD13 LEU 15 6.493 34.134 -17.398 119 1HD2 LEU 15 HD22 LEU 15 4.295 33.629 -14.932 120 2HD2 LEU 15 HD23 LEU 15 3.943 32.097 -15.723 121 3HD2 LEU 15 HD21 LEU 15 5.604 32.668 -15.611 122 H GLY 16 HN GLY 16 -0.157 32.467 -16.325 123 1HA GLY 16 HA1 GLY 16 -1.855 34.181 -15.304 124 2HA GLY 16 HA2 GLY 16 -1.813 34.881 -16.917 125 H ASP 17 HN ASP 17 -1.588 31.437 -16.423 126 HA ASP 17 HA ASP 17 -4.361 31.158 -17.510 127 1HB ASP 17 HB2 ASP 17 -1.920 30.341 -18.660 128 2HB ASP 17 HB1 ASP 17 -2.572 28.862 -17.963 129 H GLN 18 HN GLN 18 -5.155 28.802 -17.126 130 HA GLN 18 HA GLN 18 -4.857 28.320 -14.206 131 1HB GLN 18 HB2 GLN 18 -6.893 27.517 -16.313 132 2HB GLN 18 HB1 GLN 18 -6.874 26.731 -14.738 133 1HG GLN 18 HG1 GLN 18 -7.438 28.718 -13.596 134 2HG GLN 18 HG2 GLN 18 -6.878 29.744 -14.914 135 1HE2 GLN 18 HE22 GLN 18 -10.195 27.813 -16.200 136 2HE2 GLN 18 HE21 GLN 18 -8.748 26.982 -15.886 137 H ALA 19 HN ALA 19 -4.183 26.401 -13.349 138 HA ALA 19 HA ALA 19 -2.993 24.466 -15.296 139 1HB ALA 19 HB2 ALA 19 -1.677 25.784 -13.347 140 2HB ALA 19 HB3 ALA 19 -2.285 24.455 -12.366 141 3HB ALA 19 HB1 ALA 19 -1.256 24.125 -13.755 142 H SER 20 HN SER 20 -2.902 22.182 -14.482 143 HA SER 20 HA SER 20 -4.911 21.361 -12.535 144 1HB SER 20 HB2 SER 20 -6.074 19.936 -14.483 145 2HB SER 20 HB1 SER 20 -6.537 21.636 -14.271 146 HG SER 20 HG SER 20 -4.880 22.174 -15.768 147 H ILE 21 HN ILE 21 -2.916 20.421 -11.771 148 HA ILE 21 HA ILE 21 -1.618 18.334 -13.336 149 HB ILE 21 HB ILE 21 -1.464 18.570 -10.312 150 1HG1 ILE 21 HG11 ILE 21 -0.090 20.399 -12.318 151 2HG1 ILE 21 HG12 ILE 21 -1.359 20.883 -11.199 152 1HG2 ILE 21 HG22 ILE 21 -0.191 16.930 -12.066 153 2HG2 ILE 21 HG23 ILE 21 0.887 18.316 -12.177 154 3HG2 ILE 21 HG21 ILE 21 0.617 17.534 -10.624 155 1HD1 ILE 21 HD12 ILE 21 0.143 20.056 -9.315 156 2HD1 ILE 21 HD13 ILE 21 1.425 19.914 -10.513 157 3HD1 ILE 21 HD11 ILE 21 0.720 21.488 -10.163 158 H SER 22 HN SER 22 -2.102 16.194 -13.369 159 HA SER 22 HA SER 22 -4.434 15.360 -11.711 160 1HB SER 22 HB2 SER 22 -4.481 15.204 -14.292 161 2HB SER 22 HB1 SER 22 -3.315 13.877 -14.127 162 HG SER 22 HG SER 22 -5.069 12.749 -13.748 163 H CYS 23 HN CYS 23 -4.541 13.320 -10.821 164 HA CYS 23 HA CYS 23 -2.214 11.567 -10.612 165 1HB CYS 23 HB2 CYS 23 -2.950 13.549 -8.480 166 2HB CYS 23 HB1 CYS 23 -2.594 11.936 -7.926 167 NH1 ARG 24 NH2 ARG 24 -10.705 7.614 -12.012 168 NH2 ARG 24 NH1 ARG 24 -10.661 5.528 -12.898 169 H ARG 24 HN ARG 24 -3.746 10.049 -11.358 170 HA ARG 24 HA ARG 24 -6.118 9.548 -9.647 171 1HB ARG 24 HB2 ARG 24 -6.741 9.413 -11.919 172 2HB ARG 24 HB1 ARG 24 -5.212 8.691 -12.402 173 1HG ARG 24 HG1 ARG 24 -5.867 6.548 -11.774 174 2HG ARG 24 HG2 ARG 24 -6.966 7.134 -10.533 175 1HD ARG 24 HD1 ARG 24 -8.164 8.166 -12.750 176 2HD ARG 24 HD2 ARG 24 -7.458 6.696 -13.424 177 HE ARG 24 HE ARG 24 -8.638 5.744 -11.152 178 1HH1 ARG 24 HH21 ARG 24 -10.233 8.340 -11.516 179 2HH1 ARG 24 HH22 ARG 24 -11.648 7.745 -12.310 180 1HH2 ARG 24 HH11 ARG 24 -10.159 4.684 -13.072 181 2HH2 ARG 24 HH12 ARG 24 -11.608 5.620 -13.203 182 H SER 25 HN SER 25 -6.516 7.614 -8.623 183 HA SER 25 HA SER 25 -4.105 5.895 -8.197 184 1HB SER 25 HB2 SER 25 -6.302 6.929 -6.420 185 2HB SER 25 HB1 SER 25 -5.706 5.295 -6.074 186 HG SER 25 HG SER 25 -3.952 6.178 -5.352 187 H SER 26 HN SER 26 -4.579 3.603 -7.706 188 HA SER 26 HA SER 26 -6.441 2.535 -9.686 189 1HB SER 26 HB2 SER 26 -5.196 0.742 -7.600 190 2HB SER 26 HB1 SER 26 -5.286 0.517 -9.357 191 HG SER 26 HG SER 26 -3.445 1.500 -9.523 192 H GLN 27 HN GLN 27 -6.200 2.403 -6.146 193 HA GLN 27 HA GLN 27 -9.095 1.670 -6.082 194 1HB GLN 27 HB2 GLN 27 -7.323 -0.037 -5.244 195 2HB GLN 27 HB1 GLN 27 -7.038 1.080 -3.913 196 1HG GLN 27 HG1 GLN 27 -9.376 0.930 -3.229 197 2HG GLN 27 HG2 GLN 27 -9.757 -0.067 -4.629 198 1HE2 GLN 27 HE22 GLN 27 -7.610 -2.778 -3.202 199 2HE2 GLN 27 HE21 GLN 27 -7.571 -1.851 -4.622 200 H SER 28 HN SER 28 -10.370 2.629 -4.462 201 HA SER 28 HA SER 28 -9.892 5.361 -3.931 202 1HB SER 28 HB2 SER 28 -11.601 3.434 -2.268 203 2HB SER 28 HB1 SER 28 -11.819 5.191 -2.392 204 HG SER 28 HG SER 28 -12.950 3.537 -3.935 205 H LEU 29 HN LEU 29 -8.767 6.432 -2.427 206 HA LEU 29 HA LEU 29 -7.142 4.869 -0.548 207 1HB LEU 29 HB2 LEU 29 -7.292 7.891 -0.880 208 2HB LEU 29 HB1 LEU 29 -5.983 6.980 -0.138 209 HG LEU 29 HG LEU 29 -6.840 6.702 -3.031 210 1HD1 LEU 29 HD13 LEU 29 -5.717 8.918 -2.242 211 2HD1 LEU 29 HD11 LEU 29 -4.271 7.935 -2.028 212 3HD1 LEU 29 HD12 LEU 29 -5.006 8.084 -3.620 213 1HD2 LEU 29 HD21 LEU 29 -4.692 5.459 -1.321 214 2HD2 LEU 29 HD22 LEU 29 -5.822 4.668 -2.416 215 3HD2 LEU 29 HD23 LEU 29 -4.477 5.601 -3.063 216 H VAL 30 HN VAL 30 -10.011 4.966 -0.089 217 HA VAL 30 HA VAL 30 -10.321 6.706 2.270 218 HB VAL 30 HB VAL 30 -12.217 4.610 1.109 219 1HG1 VAL 30 HG13 VAL 30 -12.476 6.843 3.127 220 2HG1 VAL 30 HG11 VAL 30 -13.884 6.262 2.244 221 3HG1 VAL 30 HG12 VAL 30 -12.981 5.163 3.282 222 1HG2 VAL 30 HG22 VAL 30 -11.611 6.363 -0.559 223 2HG2 VAL 30 HG23 VAL 30 -13.295 6.494 -0.061 224 3HG2 VAL 30 HG21 VAL 30 -12.094 7.604 0.592 225 H HIS 31 HN HIS 31 -10.478 5.988 4.369 226 HA HIS 31 HA HIS 31 -9.309 3.325 4.869 227 1HB HIS 31 HB2 HIS 31 -8.689 5.590 6.039 228 2HB HIS 31 HB1 HIS 31 -10.153 5.337 6.982 229 HD2 HIS 31 HD2 HIS 31 -6.650 3.629 6.406 230 HE1 HIS 31 HE1 HIS 31 -8.365 2.034 9.817 231 H SER 32 HN SER 32 -10.852 3.755 7.610 232 HA SER 32 HA SER 32 -12.678 1.627 7.292 233 1HB SER 32 HB2 SER 32 -13.712 2.613 9.460 234 2HB SER 32 HB1 SER 32 -11.964 2.322 9.532 235 HG SER 32 HG SER 32 -11.833 4.393 9.886 236 H ASN 33 HN ASN 33 -13.551 5.077 7.649 237 HA ASN 33 HA ASN 33 -16.021 4.433 6.090 238 1HB ASN 33 HB2 ASN 33 -16.956 6.519 7.305 239 2HB ASN 33 HB1 ASN 33 -16.679 5.105 8.313 240 1HD2 ASN 33 HD22 ASN 33 -13.749 6.581 9.883 241 2HD2 ASN 33 HD21 ASN 33 -14.293 5.090 9.282 242 H GLY 34 HN GLY 34 -14.825 7.661 6.886 243 1HA GLY 34 HA1 GLY 34 -14.431 8.111 3.953 244 2HA GLY 34 HA2 GLY 34 -15.146 9.321 5.012 245 H ASN 35 HN ASN 35 -12.598 7.498 6.376 246 HA ASN 35 HA ASN 35 -10.952 9.892 6.586 247 1HB ASN 35 HB2 ASN 35 -10.824 7.048 7.569 248 2HB ASN 35 HB1 ASN 35 -9.323 7.967 7.542 249 1HD2 ASN 35 HD22 ASN 35 -10.245 10.069 10.232 250 2HD2 ASN 35 HD21 ASN 35 -9.116 9.769 9.000 251 H THR 36 HN THR 36 -10.320 10.458 4.549 252 HA THR 36 HA THR 36 -8.618 8.495 3.070 253 HB THR 36 HB THR 36 -9.678 11.128 1.913 254 HG1 THR 36 HG1 THR 36 -11.212 9.501 3.029 255 1HG2 THR 36 HG21 THR 36 -8.081 9.207 0.782 256 2HG2 THR 36 HG22 THR 36 -9.648 8.447 0.523 257 3HG2 THR 36 HG23 THR 36 -9.317 10.036 -0.158 258 OH TYR 37 OH TYR 37 -7.177 9.393 9.003 259 H TYR 37 HN TYR 37 -6.535 9.102 2.410 260 HA TYR 37 HA TYR 37 -5.569 11.706 3.517 261 1HB TYR 37 HB2 TYR 37 -4.173 8.994 3.660 262 2HB TYR 37 HB1 TYR 37 -3.481 10.516 4.221 263 HD1 TYR 37 HD1 TYR 37 -4.787 11.822 6.023 264 HD2 TYR 37 HD2 TYR 37 -5.621 7.757 5.080 265 HE1 TYR 37 HE1 TYR 37 -5.987 11.573 8.147 266 HE2 TYR 37 HE2 TYR 37 -6.828 7.513 7.203 267 HH TYR 37 HH TYR 37 -6.534 9.382 9.717 268 H LEU 38 HN LEU 38 -4.621 12.922 2.103 269 HA LEU 38 HA LEU 38 -2.892 11.803 -0.009 270 1HB LEU 38 HB2 LEU 38 -5.365 11.990 -0.825 271 2HB LEU 38 HB1 LEU 38 -5.146 13.730 -0.720 272 HG LEU 38 HG LEU 38 -2.876 12.763 -2.106 273 1HD1 LEU 38 HD12 LEU 38 -5.469 11.433 -2.928 274 2HD1 LEU 38 HD13 LEU 38 -4.149 11.678 -4.067 275 3HD1 LEU 38 HD11 LEU 38 -3.906 10.675 -2.640 276 1HD2 LEU 38 HD21 LEU 38 -5.396 14.262 -2.828 277 2HD2 LEU 38 HD22 LEU 38 -3.759 14.886 -2.652 278 3HD2 LEU 38 HD23 LEU 38 -4.180 13.909 -4.054 279 H ASN 39 HN ASN 39 -1.498 13.449 -0.934 280 HA ASN 39 HA ASN 39 -1.673 16.153 0.261 281 1HB ASN 39 HB2 ASN 39 0.686 14.252 0.647 282 2HB ASN 39 HB1 ASN 39 0.744 15.970 1.026 283 1HD2 ASN 39 HD22 ASN 39 -0.923 15.603 4.095 284 2HD2 ASN 39 HD21 ASN 39 -0.148 16.648 3.006 285 CH2 TRP 40 CH2 TRP 40 -1.604 16.345 -7.814 286 H TRP 40 HN TRP 40 -0.171 17.668 -0.646 287 HA TRP 40 HA TRP 40 0.944 16.839 -3.291 288 1HB TRP 40 HB2 TRP 40 -0.747 19.264 -2.562 289 2HB TRP 40 HB1 TRP 40 0.235 19.232 -4.021 290 HD1 TRP 40 HD1 TRP 40 -2.932 17.697 -2.489 291 HE1 TRP 40 HE1 TRP 40 -4.060 16.409 -4.349 292 HE3 TRP 40 HE3 TRP 40 0.592 18.086 -5.941 293 HZ2 TRP 40 HZ2 TRP 40 -3.517 15.662 -7.150 294 HZ3 TRP 40 HZ3 TRP 40 0.340 17.144 -8.200 295 HH2 TRP 40 HH2 TRP 40 -1.717 15.931 -8.806 296 OH TYR 41 OH TYR 41 2.774 14.817 1.791 297 H TYR 41 HN TYR 41 2.820 17.889 -3.915 298 HA TYR 41 HA TYR 41 3.989 19.873 -2.026 299 1HB TYR 41 HB2 TYR 41 5.548 17.436 -3.007 300 2HB TYR 41 HB1 TYR 41 6.041 18.591 -1.774 301 HD1 TYR 41 HD2 TYR 41 5.030 18.520 0.478 302 HD2 TYR 41 HD1 TYR 41 3.904 15.697 -2.500 303 HE1 TYR 41 HE2 TYR 41 3.995 17.111 2.200 304 HE2 TYR 41 HE1 TYR 41 2.871 14.292 -0.778 305 HH TYR 41 HH TYR 41 3.271 14.924 2.604 306 H LEU 42 HN LEU 42 5.231 21.366 -3.005 307 HA LEU 42 HA LEU 42 5.806 20.985 -5.915 308 1HB LEU 42 HB2 LEU 42 4.152 22.710 -5.801 309 2HB LEU 42 HB1 LEU 42 4.819 23.376 -4.319 310 HG LEU 42 HG LEU 42 6.845 24.107 -5.603 311 1HD1 LEU 42 HD13 LEU 42 5.640 22.417 -7.606 312 2HD1 LEU 42 HD11 LEU 42 5.766 24.053 -8.240 313 3HD1 LEU 42 HD12 LEU 42 7.203 23.224 -7.655 314 1HD2 LEU 42 HD21 LEU 42 4.069 25.050 -6.254 315 2HD2 LEU 42 HD22 LEU 42 5.340 25.871 -5.354 316 3HD2 LEU 42 HD23 LEU 42 5.429 25.770 -7.110 317 H GLN 43 HN GLN 43 7.842 21.481 -6.610 318 HA GLN 43 HA GLN 43 9.728 22.525 -4.538 319 1HB GLN 43 HB2 GLN 43 9.976 20.189 -6.452 320 2HB GLN 43 HB1 GLN 43 11.423 20.988 -5.845 321 1HG GLN 43 HG1 GLN 43 9.222 19.956 -4.025 322 2HG GLN 43 HG2 GLN 43 10.631 18.995 -4.460 323 1HE2 GLN 43 HE22 GLN 43 11.031 22.103 -1.834 324 2HE2 GLN 43 HE21 GLN 43 9.589 21.907 -2.710 325 H LYS 44 HN LYS 44 11.369 23.837 -5.204 326 HA LYS 44 HA LYS 44 11.118 24.886 -7.993 327 1HB LYS 44 HB2 LYS 44 10.678 26.262 -5.685 328 2HB LYS 44 HB1 LYS 44 12.413 26.506 -5.814 329 1HG LYS 44 HG1 LYS 44 12.181 27.497 -8.012 330 2HG LYS 44 HG2 LYS 44 10.482 27.041 -8.092 331 1HD LYS 44 HD1 LYS 44 10.594 28.474 -5.727 332 2HD LYS 44 HD2 LYS 44 11.744 29.338 -6.740 333 1HE LYS 44 HE1 LYS 44 9.798 29.066 -8.554 334 2HE LYS 44 HE2 LYS 44 8.796 28.957 -7.112 335 1HZ LYS 44 HZ1 LYS 44 8.846 31.204 -7.568 336 2HZ LYS 44 HZ2 LYS 44 10.059 31.049 -6.386 337 H ALA 45 HN ALA 45 13.627 26.510 -7.055 338 HA ALA 45 HA ALA 45 15.533 24.679 -8.298 339 1HB ALA 45 HB2 ALA 45 15.882 27.433 -7.017 340 2HB ALA 45 HB3 ALA 45 17.118 26.606 -7.959 341 3HB ALA 45 HB1 ALA 45 15.622 27.123 -8.730 342 H GLY 46 HN GLY 46 15.550 26.406 -5.170 343 1HA GLY 46 HA1 GLY 46 16.579 23.983 -3.837 344 2HA GLY 46 HA2 GLY 46 17.682 25.357 -3.866 345 H GLN 47 HN GLN 47 14.183 24.972 -3.326 346 HA GLN 47 HA GLN 47 14.380 26.882 -1.067 347 1HB GLN 47 HB2 GLN 47 12.537 26.732 -3.015 348 2HB GLN 47 HB1 GLN 47 11.802 25.565 -1.921 349 1HG GLN 47 HG1 GLN 47 11.912 27.275 -0.089 350 2HG GLN 47 HG2 GLN 47 12.536 28.440 -1.253 351 1HE2 GLN 47 HE22 GLN 47 9.356 29.180 -2.549 352 2HE2 GLN 47 HE21 GLN 47 11.011 29.554 -2.500 353 H SER 48 HN SER 48 13.161 26.396 0.922 354 HA SER 48 HA SER 48 13.979 23.836 1.993 355 1HB SER 48 HB2 SER 48 13.845 25.187 3.868 356 2HB SER 48 HB1 SER 48 12.883 26.386 2.989 357 HG SER 48 HG SER 48 11.944 24.928 4.822 358 HA PRO 49 HA PRO 49 10.571 21.233 1.330 359 1HB PRO 49 HB2 PRO 49 10.169 20.490 4.113 360 2HB PRO 49 HB1 PRO 49 10.983 19.562 2.853 361 1HG PRO 49 HG1 PRO 49 12.188 20.966 5.074 362 2HG PRO 49 HG2 PRO 49 13.003 20.027 3.822 363 1HD PRO 49 HD1 PRO 49 12.981 22.890 4.134 364 2HD PRO 49 HD2 PRO 49 13.762 21.949 2.851 365 H LYS 50 HN LYS 50 8.740 22.284 0.797 366 HA LYS 50 HA LYS 50 7.156 23.532 3.007 367 1HB LYS 50 HB2 LYS 50 7.601 24.261 0.105 368 2HB LYS 50 HB1 LYS 50 6.089 24.733 0.870 369 1HG LYS 50 HG1 LYS 50 8.675 25.281 2.301 370 2HG LYS 50 HG2 LYS 50 8.190 26.343 0.984 371 1HD LYS 50 HD1 LYS 50 6.093 26.863 2.081 372 2HD LYS 50 HD2 LYS 50 6.374 25.638 3.313 373 1HE LYS 50 HE1 LYS 50 7.023 27.638 4.386 374 2HE LYS 50 HE2 LYS 50 8.551 26.964 3.834 375 1HZ LYS 50 HZ1 LYS 50 6.969 29.019 2.387 376 2HZ LYS 50 HZ2 LYS 50 8.357 29.322 3.320 377 H LEU 51 HN LEU 51 4.738 23.796 1.903 378 HA LEU 51 HA LEU 51 3.916 21.211 0.724 379 1HB LEU 51 HB2 LEU 51 3.850 20.669 3.091 380 2HB LEU 51 HB1 LEU 51 3.141 22.224 3.498 381 HG LEU 51 HG LEU 51 1.089 21.558 2.185 382 1HD1 LEU 51 HD13 LEU 51 2.824 19.432 1.380 383 2HD1 LEU 51 HD11 LEU 51 1.512 18.717 2.310 384 3HD1 LEU 51 HD12 LEU 51 1.153 19.701 0.896 385 1HD2 LEU 51 HD21 LEU 51 1.333 21.285 4.680 386 2HD2 LEU 51 HD22 LEU 51 0.217 20.136 3.949 387 3HD2 LEU 51 HD23 LEU 51 1.840 19.623 4.399 388 H LEU 52 HN LEU 52 1.866 21.271 -0.228 389 HA LEU 52 HA LEU 52 0.737 24.028 -0.488 390 1HB LEU 52 HB2 LEU 52 1.728 22.441 -2.471 391 2HB LEU 52 HB1 LEU 52 0.062 21.884 -2.479 392 HG LEU 52 HG LEU 52 -0.632 24.340 -2.572 393 1HD1 LEU 52 HD11 LEU 52 2.356 24.577 -3.057 394 2HD1 LEU 52 HD12 LEU 52 1.209 25.823 -3.539 395 3HD1 LEU 52 HD13 LEU 52 1.401 25.414 -1.837 396 1HD2 LEU 52 HD21 LEU 52 0.603 22.662 -4.664 397 2HD2 LEU 52 HD22 LEU 52 -0.939 23.511 -4.677 398 3HD2 LEU 52 HD23 LEU 52 0.544 24.373 -5.070 399 H ILE 53 HN ILE 53 -0.717 20.919 -1.373 400 HA ILE 53 HA ILE 53 -2.963 21.594 0.492 401 HB ILE 53 HB ILE 53 -2.965 20.102 -2.163 402 1HG1 ILE 53 HG11 ILE 53 -3.040 22.815 -1.724 403 2HG1 ILE 53 HG12 ILE 53 -3.674 22.006 -3.149 404 1HG2 ILE 53 HG22 ILE 53 -5.252 20.666 -0.208 405 2HG2 ILE 53 HG23 ILE 53 -5.455 19.947 -1.803 406 3HG2 ILE 53 HG21 ILE 53 -4.571 19.080 -0.556 407 1HD1 ILE 53 HD13 ILE 53 -5.264 22.647 -0.643 408 2HD1 ILE 53 HD11 ILE 53 -5.362 23.519 -2.169 409 3HD1 ILE 53 HD12 ILE 53 -5.895 21.846 -2.079 410 OH TYR 54 OH TYR 54 -5.623 21.655 6.983 411 H TYR 54 HN TYR 54 -3.601 20.106 1.893 412 HA TYR 54 HA TYR 54 -2.319 17.420 1.700 413 1HB TYR 54 HB2 TYR 54 -2.330 17.337 4.188 414 2HB TYR 54 HB1 TYR 54 -1.436 18.741 3.634 415 HD1 TYR 54 HD1 TYR 54 -2.512 21.017 3.752 416 HD2 TYR 54 HD2 TYR 54 -4.324 17.585 5.496 417 HE1 TYR 54 HE1 TYR 54 -3.871 22.464 5.195 418 HE2 TYR 54 HE2 TYR 54 -5.676 19.034 6.942 419 HH TYR 54 HH TYR 54 -6.007 22.350 6.441 420 H LYS 55 HN LYS 55 -3.702 15.751 3.031 421 HA LYS 55 HA LYS 55 -5.767 14.619 3.074 422 1HB LYS 55 HB2 LYS 55 -6.210 17.378 3.980 423 2HB LYS 55 HB1 LYS 55 -7.641 16.773 3.158 424 1HG LYS 55 HG1 LYS 55 -6.234 15.055 5.193 425 2HG LYS 55 HG2 LYS 55 -7.356 16.303 5.721 426 1HD LYS 55 HD1 LYS 55 -9.119 15.329 4.280 427 2HD LYS 55 HD2 LYS 55 -7.995 14.083 3.748 428 1HE LYS 55 HE1 LYS 55 -9.397 13.194 5.544 429 2HE LYS 55 HE2 LYS 55 -7.738 13.341 6.114 430 1HZ LYS 55 HZ1 LYS 55 -9.179 15.744 6.567 431 2HZ LYS 55 HZ2 LYS 55 -9.985 14.423 7.270 432 H VAL 56 HN VAL 56 -8.281 15.773 1.914 433 HA VAL 56 HA VAL 56 -7.422 15.568 -0.939 434 HB VAL 56 HB VAL 56 -8.976 13.779 0.020 435 1HG1 VAL 56 HG13 VAL 56 -10.274 15.338 1.481 436 2HG1 VAL 56 HG11 VAL 56 -10.965 16.079 0.040 437 3HG1 VAL 56 HG12 VAL 56 -11.317 14.397 0.420 438 1HG2 VAL 56 HG21 VAL 56 -8.903 14.787 -2.468 439 2HG2 VAL 56 HG22 VAL 56 -10.072 13.552 -2.011 440 3HG2 VAL 56 HG23 VAL 56 -10.553 15.244 -2.061 441 H SER 57 HN SER 57 -8.185 17.932 1.126 442 HA SER 57 HA SER 57 -8.701 19.861 -0.906 443 1HB SER 57 HB2 SER 57 -10.949 18.692 -0.988 444 2HB SER 57 HB1 SER 57 -11.187 19.097 0.721 445 HG SER 57 HG SER 57 -11.031 21.259 0.213 446 H ASN 58 HN ASN 58 -6.928 20.316 0.796 447 HA ASN 58 HA ASN 58 -8.006 22.418 2.547 448 1HB ASN 58 HB2 ASN 58 -7.480 19.816 3.571 449 2HB ASN 58 HB1 ASN 58 -6.131 20.811 4.102 450 1HD2 ASN 58 HD22 ASN 58 -9.770 21.304 5.774 451 2HD2 ASN 58 HD21 ASN 58 -9.471 20.108 4.609 452 NH1 ARG 59 NH1 ARG 59 -8.793 26.761 -0.654 453 NH2 ARG 59 NH2 ARG 59 -8.620 28.936 -0.022 454 H ARG 59 HN ARG 59 -6.773 24.085 2.016 455 HA ARG 59 HA ARG 59 -4.048 23.781 1.033 456 1HB ARG 59 HB2 ARG 59 -5.786 26.158 1.796 457 2HB ARG 59 HB1 ARG 59 -4.132 26.359 1.232 458 1HG ARG 59 HG1 ARG 59 -4.677 25.219 -0.871 459 2HG ARG 59 HG2 ARG 59 -6.320 24.921 -0.305 460 1HD ARG 59 HD1 ARG 59 -5.034 27.628 -0.788 461 2HD ARG 59 HD2 ARG 59 -6.344 26.908 -1.722 462 HE ARG 59 HE ARG 59 -6.618 27.758 1.138 463 1HH1 ARG 59 HH11 ARG 59 -8.370 25.859 -0.739 464 2HH1 ARG 59 HH12 ARG 59 -9.737 26.901 -0.951 465 1HH2 ARG 59 HH21 ARG 59 -8.068 29.675 0.367 466 2HH2 ARG 59 HH22 ARG 59 -9.559 29.117 -0.308 467 H PHE 60 HN PHE 60 -2.161 24.108 2.117 468 HA PHE 60 HA PHE 60 -2.272 24.054 5.028 469 1HB PHE 60 HB2 PHE 60 -0.524 22.879 3.557 470 2HB PHE 60 HB1 PHE 60 0.179 24.466 3.251 471 HD1 PHE 60 HD1 PHE 60 -0.836 22.208 6.060 472 HD2 PHE 60 HD2 PHE 60 1.723 25.367 4.787 473 HE1 PHE 60 HE1 PHE 60 0.370 22.096 8.198 474 HE2 PHE 60 HE2 PHE 60 2.925 25.251 6.925 475 HZ PHE 60 HZ PHE 60 2.250 23.617 8.632 476 H SER 61 HN SER 61 -0.982 25.580 6.355 477 HA SER 61 HA SER 61 -1.892 28.236 6.079 478 1HB SER 61 HB2 SER 61 0.509 27.066 7.570 479 2HB SER 61 HB1 SER 61 -0.015 28.752 7.761 480 HG SER 61 HG SER 61 -1.339 27.834 9.157 481 H GLY 62 HN GLY 62 -1.243 29.940 4.934 482 1HA GLY 62 HA1 GLY 62 0.368 31.381 3.876 483 2HA GLY 62 HA2 GLY 62 1.527 30.057 3.889 484 H VAL 63 HN VAL 63 -0.706 28.271 2.804 485 HA VAL 63 HA VAL 63 -0.017 28.634 0.011 486 HB VAL 63 HB VAL 63 -2.133 26.865 1.328 487 1HG1 VAL 63 HG11 VAL 63 -2.433 27.227 -1.141 488 2HG1 VAL 63 HG12 VAL 63 -0.799 26.620 -1.393 489 3HG1 VAL 63 HG13 VAL 63 -2.043 25.558 -0.738 490 1HG2 VAL 63 HG22 VAL 63 0.749 26.326 0.520 491 2HG2 VAL 63 HG23 VAL 63 0.135 26.408 2.167 492 3HG2 VAL 63 HG21 VAL 63 -0.376 25.105 1.102 493 HA PRO 64 HA PRO 64 -3.141 31.723 -0.694 494 1HB PRO 64 HB2 PRO 64 -2.624 31.515 -3.533 495 2HB PRO 64 HB1 PRO 64 -2.081 32.779 -2.431 496 1HG PRO 64 HG1 PRO 64 -0.509 30.664 -3.631 497 2HG PRO 64 HG2 PRO 64 0.051 31.966 -2.583 498 1HD PRO 64 HD1 PRO 64 -0.234 29.179 -1.921 499 2HD PRO 64 HD2 PRO 64 0.281 30.497 -0.852 500 H ASP 65 HN ASP 65 -5.212 31.778 -1.521 501 HA ASP 65 HA ASP 65 -6.628 29.344 -1.794 502 1HB ASP 65 HB2 ASP 65 -7.360 32.101 -2.906 503 2HB ASP 65 HB1 ASP 65 -8.497 30.790 -2.610 504 NH1 ARG 66 NH1 ARG 66 -0.066 33.511 -6.533 505 NH2 ARG 66 NH2 ARG 66 -0.815 35.653 -6.593 506 H ARG 66 HN ARG 66 -4.731 31.043 -4.057 507 HA ARG 66 HA ARG 66 -5.932 30.364 -6.522 508 1HB ARG 66 HB2 ARG 66 -2.959 30.497 -5.830 509 2HB ARG 66 HB1 ARG 66 -3.641 30.661 -7.443 510 1HG ARG 66 HG1 ARG 66 -5.021 32.619 -6.461 511 2HG ARG 66 HG2 ARG 66 -3.911 32.552 -5.096 512 1HD ARG 66 HD1 ARG 66 -2.326 32.439 -7.465 513 2HD ARG 66 HD2 ARG 66 -3.487 33.746 -7.681 514 HE ARG 66 HE ARG 66 -2.560 34.238 -5.156 515 1HH1 ARG 66 HH11 ARG 66 -0.251 32.545 -6.363 516 2HH1 ARG 66 HH12 ARG 66 0.843 33.803 -6.831 517 1HH2 ARG 66 HH21 ARG 66 -1.564 36.302 -6.470 518 2HH2 ARG 66 HH22 ARG 66 0.087 35.975 -6.882 519 H PHE 67 HN PHE 67 -4.515 28.299 -4.197 520 HA PHE 67 HA PHE 67 -4.108 26.169 -6.248 521 1HB PHE 67 HB2 PHE 67 -3.151 26.489 -3.373 522 2HB PHE 67 HB1 PHE 67 -2.950 24.991 -4.277 523 HD1 PHE 67 HD2 PHE 67 -1.549 24.966 -6.344 524 HD2 PHE 67 HD1 PHE 67 -1.785 28.428 -3.875 525 HE1 PHE 67 HE2 PHE 67 0.482 25.858 -7.397 526 HE2 PHE 67 HE1 PHE 67 0.245 29.319 -4.937 527 HZ PHE 67 HZ PHE 67 1.380 28.036 -6.698 528 H SER 68 HN SER 68 -5.683 24.772 -6.516 529 HA SER 68 HA SER 68 -7.347 24.004 -4.150 530 1HB SER 68 HB2 SER 68 -9.241 23.712 -5.884 531 2HB SER 68 HB1 SER 68 -8.726 25.395 -5.665 532 HG SER 68 HG SER 68 -7.419 23.716 -7.517 533 H GLY 69 HN GLY 69 -7.225 21.906 -3.705 534 1HA GLY 69 HA1 GLY 69 -6.635 20.011 -5.946 535 2HA GLY 69 HA2 GLY 69 -5.805 19.875 -4.401 536 H SER 70 HN SER 70 -8.259 18.638 -6.179 537 HA SER 70 HA SER 70 -9.333 17.169 -3.909 538 1HB SER 70 HB2 SER 70 -11.723 17.973 -4.271 539 2HB SER 70 HB1 SER 70 -10.664 19.282 -3.713 540 HG SER 70 HG SER 70 -10.871 18.704 -6.460 541 H GLY 71 HN GLY 71 -11.134 15.690 -4.619 542 1HA GLY 71 HA1 GLY 71 -11.871 15.142 -7.255 543 2HA GLY 71 HA2 GLY 71 -10.321 14.336 -7.045 544 H SER 72 HN SER 72 -11.549 12.336 -7.370 545 HA SER 72 HA SER 72 -13.400 11.586 -5.187 546 1HB SER 72 HB2 SER 72 -14.147 9.904 -6.652 547 2HB SER 72 HB1 SER 72 -13.399 10.955 -7.868 548 HG SER 72 HG SER 72 -11.966 9.449 -8.149 549 H GLY 73 HN GLY 73 -13.020 9.020 -4.703 550 1HA GLY 73 HA1 GLY 73 -10.786 8.948 -2.924 551 2HA GLY 73 HA2 GLY 73 -11.736 7.543 -3.401 552 H THR 74 HN THR 74 -11.115 8.173 -6.275 553 HA THR 74 HA THR 74 -8.281 7.219 -6.292 554 HB THR 74 HB THR 74 -8.918 5.823 -8.299 555 HG1 THR 74 HG1 THR 74 -10.596 7.288 -8.912 556 1HG2 THR 74 HG23 THR 74 -9.403 4.981 -5.854 557 2HG2 THR 74 HG21 THR 74 -11.075 5.422 -6.177 558 3HG2 THR 74 HG22 THR 74 -10.287 4.183 -7.149 559 H ASP 75 HN ASP 75 -9.708 9.885 -6.716 560 HA ASP 75 HA ASP 75 -8.185 10.569 -9.180 561 1HB ASP 75 HB2 ASP 75 -11.099 11.252 -8.583 562 2HB ASP 75 HB1 ASP 75 -10.163 12.069 -9.829 563 H PHE 76 HN PHE 76 -7.005 12.344 -8.938 564 HA PHE 76 HA PHE 76 -7.875 14.450 -7.042 565 1HB PHE 76 HB2 PHE 76 -5.079 13.221 -6.925 566 2HB PHE 76 HB1 PHE 76 -5.763 14.403 -5.813 567 HD1 PHE 76 HD1 PHE 76 -7.863 13.686 -4.475 568 HD2 PHE 76 HD2 PHE 76 -5.347 10.906 -6.496 569 HE1 PHE 76 HE1 PHE 76 -8.770 11.863 -3.105 570 HE2 PHE 76 HE2 PHE 76 -6.255 9.087 -5.120 571 HZ PHE 76 HZ PHE 76 -7.961 9.565 -3.417 572 H THR 77 HN THR 77 -7.529 16.402 -7.920 573 HA THR 77 HA THR 77 -5.296 16.662 -9.875 574 HB THR 77 HB THR 77 -8.114 17.811 -10.297 575 HG1 THR 77 HG1 THR 77 -6.827 15.762 -11.751 576 1HG2 THR 77 HG23 THR 77 -6.135 18.966 -11.492 577 2HG2 THR 77 HG21 THR 77 -5.747 17.407 -12.212 578 3HG2 THR 77 HG22 THR 77 -7.269 18.200 -12.601 579 H LEU 78 HN LEU 78 -4.083 18.399 -9.606 580 HA LEU 78 HA LEU 78 -4.888 20.380 -7.560 581 1HB LEU 78 HB2 LEU 78 -2.502 19.102 -8.059 582 2HB LEU 78 HB1 LEU 78 -2.244 20.604 -8.938 583 HG LEU 78 HG LEU 78 -2.953 21.855 -6.864 584 1HD1 LEU 78 HD13 LEU 78 -3.417 19.079 -6.000 585 2HD1 LEU 78 HD11 LEU 78 -2.515 20.041 -4.834 586 3HD1 LEU 78 HD12 LEU 78 -4.101 20.576 -5.377 587 1HD2 LEU 78 HD23 LEU 78 -0.571 19.994 -6.837 588 2HD2 LEU 78 HD21 LEU 78 -0.602 21.712 -7.220 589 3HD2 LEU 78 HD22 LEU 78 -0.827 21.174 -5.558 590 H LYS 79 HN LYS 79 -6.398 21.584 -8.714 591 HA LYS 79 HA LYS 79 -5.650 22.822 -11.264 592 1HB LYS 79 HB2 LYS 79 -8.056 22.945 -9.416 593 2HB LYS 79 HB1 LYS 79 -7.901 24.087 -10.746 594 1HG LYS 79 HG1 LYS 79 -8.173 22.456 -12.365 595 2HG LYS 79 HG2 LYS 79 -7.466 21.192 -11.362 596 1HD LYS 79 HD1 LYS 79 -9.514 21.290 -9.899 597 2HD LYS 79 HD2 LYS 79 -10.223 22.426 -11.040 598 1HE LYS 79 HE1 LYS 79 -9.224 19.673 -11.827 599 2HE LYS 79 HE2 LYS 79 -10.901 20.015 -11.416 600 1HZ LYS 79 HZ1 LYS 79 -11.255 20.968 -13.376 601 2HZ LYS 79 HZ2 LYS 79 -9.803 21.851 -13.326 602 H ILE 80 HN ILE 80 -5.084 24.933 -11.582 603 HA ILE 80 HA ILE 80 -4.759 26.606 -9.126 604 HB ILE 80 HB ILE 80 -2.859 26.520 -11.516 605 1HG1 ILE 80 HG11 ILE 80 -2.591 25.231 -8.774 606 2HG1 ILE 80 HG12 ILE 80 -2.784 24.380 -10.301 607 1HG2 ILE 80 HG22 ILE 80 -3.072 28.611 -9.963 608 2HG2 ILE 80 HG23 ILE 80 -2.370 27.600 -8.704 609 3HG2 ILE 80 HG21 ILE 80 -1.454 27.950 -10.168 610 1HD1 ILE 80 HD12 ILE 80 -0.656 25.697 -11.047 611 2HD1 ILE 80 HD13 ILE 80 -0.418 25.973 -9.325 612 3HD1 ILE 80 HD11 ILE 80 -0.448 24.332 -9.954 613 H SER 81 HN SER 81 -5.248 28.691 -9.253 614 HA SER 81 HA SER 81 -7.021 29.429 -11.364 615 1HB SER 81 HB2 SER 81 -5.772 30.988 -9.067 616 2HB SER 81 HB1 SER 81 -6.921 31.730 -10.198 617 HG SER 81 HG SER 81 -8.479 30.570 -9.373 618 NH1 ARG 82 NH1 ARG 82 -6.877 35.508 -11.879 619 NH2 ARG 82 NH2 ARG 82 -6.371 37.527 -10.966 620 H ARG 82 HN ARG 82 -4.165 31.304 -10.368 621 HA ARG 82 HA ARG 82 -3.651 31.795 -13.269 622 1HB ARG 82 HB2 ARG 82 -2.465 33.910 -11.809 623 2HB ARG 82 HB1 ARG 82 -3.933 34.009 -12.771 624 1HG ARG 82 HG1 ARG 82 -5.309 33.476 -10.836 625 2HG ARG 82 HG2 ARG 82 -3.881 33.154 -9.857 626 1HD ARG 82 HD1 ARG 82 -4.765 35.422 -9.396 627 2HD ARG 82 HD2 ARG 82 -3.165 35.513 -10.130 628 HE ARG 82 HE ARG 82 -4.175 36.336 -12.153 629 1HH1 ARG 82 HH11 ARG 82 -6.563 34.625 -12.223 630 2HH1 ARG 82 HH12 ARG 82 -7.850 35.733 -11.889 631 1HH2 ARG 82 HH21 ARG 82 -5.678 38.161 -10.625 632 2HH2 ARG 82 HH22 ARG 82 -7.335 37.789 -10.959 633 H VAL 83 HN VAL 83 -1.994 30.549 -13.747 634 HA VAL 83 HA VAL 83 0.096 29.812 -11.920 635 HB VAL 83 HB VAL 83 -0.088 29.767 -14.969 636 1HG1 VAL 83 HG12 VAL 83 2.115 28.953 -13.085 637 2HG1 VAL 83 HG13 VAL 83 1.841 27.992 -14.535 638 3HG1 VAL 83 HG11 VAL 83 2.233 29.703 -14.674 639 1HG2 VAL 83 HG22 VAL 83 -0.672 27.851 -12.727 640 2HG2 VAL 83 HG23 VAL 83 -1.589 28.156 -14.200 641 3HG2 VAL 83 HG21 VAL 83 -0.112 27.201 -14.266 642 H GLU 84 HN GLU 84 1.336 31.351 -11.052 643 HA GLU 84 HA GLU 84 2.270 33.611 -12.714 644 1HB GLU 84 HB2 GLU 84 2.254 32.907 -9.780 645 2HB GLU 84 HB1 GLU 84 3.475 34.045 -10.339 646 1HG GLU 84 HG1 GLU 84 1.933 35.687 -10.776 647 2HG GLU 84 HG2 GLU 84 0.728 34.540 -11.355 648 H ALA 85 HN ALA 85 4.640 34.206 -12.476 649 HA ALA 85 HA ALA 85 6.255 32.147 -13.578 650 1HB ALA 85 HB1 ALA 85 7.083 34.677 -12.069 651 2HB ALA 85 HB2 ALA 85 8.152 33.729 -13.098 652 3HB ALA 85 HB3 ALA 85 6.774 34.571 -13.799 653 H GLU 86 HN GLU 86 5.362 32.749 -10.348 654 HA GLU 86 HA GLU 86 7.673 31.473 -9.105 655 1HB GLU 86 HB2 GLU 86 4.884 32.162 -8.063 656 2HB GLU 86 HB1 GLU 86 6.197 31.578 -7.047 657 1HG GLU 86 HG1 GLU 86 7.572 33.526 -7.670 658 2HG GLU 86 HG2 GLU 86 6.302 34.095 -8.749 659 H ASP 87 HN ASP 87 4.432 30.508 -10.067 660 HA ASP 87 HA ASP 87 4.337 27.963 -8.796 661 1HB ASP 87 HB2 ASP 87 3.010 29.293 -11.127 662 2HB ASP 87 HB1 ASP 87 2.949 27.534 -11.118 663 H LEU 88 HN LEU 88 6.006 29.046 -11.632 664 HA LEU 88 HA LEU 88 6.445 26.682 -13.054 665 1HB LEU 88 HB2 LEU 88 8.516 28.837 -12.439 666 2HB LEU 88 HB1 LEU 88 8.551 27.739 -13.813 667 HG LEU 88 HG LEU 88 6.412 29.828 -13.257 668 1HD1 LEU 88 HD11 LEU 88 8.584 30.721 -14.092 669 2HD1 LEU 88 HD12 LEU 88 8.499 29.607 -15.455 670 3HD1 LEU 88 HD13 LEU 88 7.306 30.891 -15.292 671 1HD2 LEU 88 HD23 LEU 88 6.659 27.577 -15.236 672 2HD2 LEU 88 HD21 LEU 88 5.235 28.134 -14.362 673 3HD2 LEU 88 HD22 LEU 88 5.851 29.061 -15.726 674 H GLY 89 HN GLY 89 7.691 24.915 -12.841 675 1HA GLY 89 HA1 GLY 89 9.983 24.306 -11.591 676 2HA GLY 89 HA2 GLY 89 8.935 24.471 -10.185 677 H ILE 90 HN ILE 90 9.178 22.285 -9.639 678 HA ILE 90 HA ILE 90 7.834 20.371 -11.511 679 HB ILE 90 HB ILE 90 9.769 19.622 -9.278 680 1HG1 ILE 90 HG11 ILE 90 10.533 19.994 -12.191 681 2HG1 ILE 90 HG12 ILE 90 10.801 21.237 -10.975 682 1HG2 ILE 90 HG21 ILE 90 8.311 17.851 -10.307 683 2HG2 ILE 90 HG22 ILE 90 8.931 18.277 -11.898 684 3HG2 ILE 90 HG23 ILE 90 10.006 17.576 -10.694 685 1HD1 ILE 90 HD13 ILE 90 11.966 19.341 -9.612 686 2HD1 ILE 90 HD11 ILE 90 12.035 18.488 -11.151 687 3HD1 ILE 90 HD12 ILE 90 12.838 20.044 -10.970 688 OH TYR 91 OH TYR 91 2.626 25.211 -8.251 689 H TYR 91 HN TYR 91 5.968 19.561 -10.821 690 HA TYR 91 HA TYR 91 5.241 19.938 -7.960 691 1HB TYR 91 HB2 TYR 91 3.735 19.634 -10.553 692 2HB TYR 91 HB1 TYR 91 2.925 19.141 -9.068 693 HD1 TYR 91 HD2 TYR 91 4.563 21.995 -10.780 694 HD2 TYR 91 HD1 TYR 91 2.182 20.780 -7.472 695 HE1 TYR 91 HE2 TYR 91 4.102 24.344 -10.244 696 HE2 TYR 91 HE1 TYR 91 1.721 23.128 -6.940 697 HH TYR 91 HH TYR 91 2.179 25.614 -9.001 698 H PHE 92 HN PHE 92 4.161 18.254 -6.799 699 HA PHE 92 HA PHE 92 4.394 15.499 -7.866 700 1HB PHE 92 HB2 PHE 92 5.828 16.538 -5.375 701 2HB PHE 92 HB1 PHE 92 5.616 14.823 -5.714 702 HD1 PHE 92 HD2 PHE 92 6.558 13.914 -7.927 703 HD2 PHE 92 HD1 PHE 92 7.597 17.750 -6.395 704 HE1 PHE 92 HE2 PHE 92 8.554 13.949 -9.359 705 HE2 PHE 92 HE1 PHE 92 9.591 17.779 -7.829 706 HZ PHE 92 HZ PHE 92 10.071 15.879 -9.310 707 H CYS 93 HN CYS 93 3.317 13.914 -6.483 708 HA CYS 93 HA CYS 93 1.522 15.037 -4.404 709 1HB CYS 93 HB2 CYS 93 -0.448 14.550 -5.507 710 2HB CYS 93 HB1 CYS 93 0.548 14.895 -6.892 711 H SER 94 HN SER 94 0.692 13.443 -2.954 712 HA SER 94 HA SER 94 1.604 10.661 -3.367 713 1HB SER 94 HB2 SER 94 3.430 12.166 -2.170 714 2HB SER 94 HB1 SER 94 2.371 11.996 -0.754 715 HG SER 94 HG SER 94 3.415 10.135 -0.633 716 H GLN 95 HN GLN 95 0.969 9.246 -1.526 717 HA GLN 95 HA GLN 95 -1.602 10.187 -0.312 718 1HB GLN 95 HB2 GLN 95 -2.351 7.763 -0.583 719 2HB GLN 95 HB1 GLN 95 -2.099 8.595 -2.112 720 1HG GLN 95 HG1 GLN 95 -0.014 7.503 -2.492 721 2HG GLN 95 HG2 GLN 95 0.117 6.989 -0.814 722 1HE2 GLN 95 HE22 GLN 95 -1.012 4.035 -2.757 723 2HE2 GLN 95 HE21 GLN 95 0.377 5.009 -2.711 724 H THR 96 HN THR 96 -2.271 8.698 1.541 725 HA THR 96 HA THR 96 0.064 7.573 2.995 726 HB THR 96 HB THR 96 -1.792 9.378 4.577 727 HG1 THR 96 HG1 THR 96 0.314 10.165 2.828 728 1HG2 THR 96 HG21 THR 96 0.313 8.075 5.471 729 2HG2 THR 96 HG22 THR 96 1.262 9.205 4.510 730 3HG2 THR 96 HG23 THR 96 0.256 9.798 5.828 731 H THR 97 HN THR 97 -2.585 6.707 1.767 732 HA THR 97 HA THR 97 -4.013 5.665 4.138 733 HB THR 97 HB THR 97 -4.533 5.261 1.131 734 HG1 THR 97 HG1 THR 97 -6.222 6.833 1.848 735 1HG2 THR 97 HG21 THR 97 -6.299 4.923 3.622 736 2HG2 THR 97 HG22 THR 97 -6.858 4.760 1.962 737 3HG2 THR 97 HG23 THR 97 -5.722 3.592 2.624 738 H HIS 98 HN HIS 98 -1.609 4.651 1.908 739 HA HIS 98 HA HIS 98 -1.828 1.884 3.014 740 1HB HIS 98 HB2 HIS 98 -1.165 2.776 0.171 741 2HB HIS 98 HB1 HIS 98 -0.902 1.132 0.749 742 HD2 HIS 98 HD2 HIS 98 -3.837 3.534 -0.201 743 HE1 HIS 98 HE1 HIS 98 -5.437 -0.191 0.617 744 H VAL 99 HN VAL 99 -0.089 1.208 4.016 745 HA VAL 99 HA VAL 99 2.475 2.667 3.568 746 HB VAL 99 HB VAL 99 1.429 2.751 5.876 747 1HG1 VAL 99 HG13 VAL 99 0.509 0.354 5.622 748 2HG1 VAL 99 HG11 VAL 99 2.124 -0.189 6.065 749 3HG1 VAL 99 HG12 VAL 99 1.181 0.781 7.191 750 1HG2 VAL 99 HG21 VAL 99 4.070 1.279 5.594 751 2HG2 VAL 99 HG22 VAL 99 3.835 3.019 5.736 752 3HG2 VAL 99 HG23 VAL 99 3.491 1.970 7.105 753 HA PRO 100 HA PRO 100 4.577 2.455 3.887 754 1HB PRO 100 HB2 PRO 100 6.305 2.080 1.634 755 2HB PRO 100 HB1 PRO 100 6.709 1.792 3.326 756 1HG PRO 100 HG1 PRO 100 6.247 -0.172 1.225 757 2HG PRO 100 HG2 PRO 100 6.800 -0.449 2.877 758 1HD PRO 100 HD1 PRO 100 4.190 -0.992 1.779 759 2HD PRO 100 HD2 PRO 100 4.736 -1.245 3.446 760 HA PRO 101 HA PRO 101 2.540 4.985 0.956 761 1HB PRO 101 HB2 PRO 101 4.630 6.981 0.832 762 2HB PRO 101 HB1 PRO 101 3.163 7.032 1.810 763 1HG PRO 101 HG1 PRO 101 5.888 6.579 2.699 764 2HG PRO 101 HG2 PRO 101 4.431 6.705 3.686 765 1HD PRO 101 HD1 PRO 101 5.940 4.327 3.074 766 2HD PRO 101 HD2 PRO 101 4.454 4.450 4.036 767 H THR 102 HN THR 102 2.666 5.746 -1.234 768 HA THR 102 HA THR 102 4.674 4.256 -2.815 769 HB THR 102 HB THR 102 3.169 5.246 -4.757 770 HG1 THR 102 HG1 THR 102 1.246 6.090 -3.941 771 1HG2 THR 102 HG23 THR 102 2.046 3.464 -2.526 772 2HG2 THR 102 HG21 THR 102 1.155 3.778 -4.011 773 3HG2 THR 102 HG22 THR 102 2.694 2.927 -4.073 774 H PHE 103 HN PHE 103 3.320 7.532 -2.891 775 HA PHE 103 HA PHE 103 4.290 9.598 -3.346 776 1HB PHE 103 HB2 PHE 103 5.975 8.827 -1.606 777 2HB PHE 103 HB1 PHE 103 6.953 8.162 -2.912 778 HD1 PHE 103 HD2 PHE 103 7.889 9.696 -4.661 779 HD2 PHE 103 HD1 PHE 103 5.912 11.204 -1.204 780 HE1 PHE 103 HE2 PHE 103 8.826 11.924 -5.095 781 HE2 PHE 103 HE1 PHE 103 6.853 13.430 -1.640 782 HZ PHE 103 HZ PHE 103 8.308 13.792 -3.586 783 H GLY 104 HN GLY 104 4.234 10.359 -5.324 784 1HA GLY 104 HA1 GLY 104 6.243 9.624 -7.295 785 2HA GLY 104 HA2 GLY 104 4.653 8.981 -7.693 786 H GLY 105 HN GLY 105 5.190 10.462 -9.582 787 1HA GLY 105 HA1 GLY 105 3.744 12.314 -10.461 788 2HA GLY 105 HA2 GLY 105 4.124 13.198 -8.987 789 H GLY 106 HN GLY 106 4.707 14.736 -10.880 790 1HA GLY 106 HA1 GLY 106 7.254 15.551 -10.898 791 2HA GLY 106 HA2 GLY 106 7.401 14.169 -11.979 792 H THR 107 HN THR 107 4.858 16.623 -11.638 793 HA THR 107 HA THR 107 4.716 16.897 -14.540 794 HB THR 107 HB THR 107 3.420 18.686 -12.395 795 HG1 THR 107 HG1 THR 107 2.757 16.173 -13.550 796 1HG2 THR 107 HG23 THR 107 3.264 19.297 -14.928 797 2HG2 THR 107 HG21 THR 107 2.421 17.767 -15.142 798 3HG2 THR 107 HG22 THR 107 1.717 19.025 -14.131 799 H LYS 108 HN LYS 108 6.141 18.055 -15.638 800 HA LYS 108 HA LYS 108 7.817 20.043 -14.288 801 1HB LYS 108 HB2 LYS 108 7.704 18.749 -17.006 802 2HB LYS 108 HB1 LYS 108 8.558 20.281 -16.866 803 1HG LYS 108 HG1 LYS 108 10.096 18.372 -16.500 804 2HG LYS 108 HG2 LYS 108 9.947 19.350 -15.044 805 1HD LYS 108 HD1 LYS 108 8.314 17.772 -14.112 806 2HD LYS 108 HD2 LYS 108 8.347 16.825 -15.594 807 1HE LYS 108 HE1 LYS 108 10.803 16.440 -15.222 808 2HE LYS 108 HE2 LYS 108 10.655 17.262 -13.671 809 1HZ LYS 108 HZ1 LYS 108 8.632 15.418 -13.702 810 2HZ LYS 108 HZ2 LYS 108 9.960 14.598 -14.369 811 H LEU 109 HN LEU 109 6.545 21.753 -13.736 812 HA LEU 109 HA LEU 109 4.804 23.024 -15.717 813 1HB LEU 109 HB2 LEU 109 4.658 22.927 -13.035 814 2HB LEU 109 HB1 LEU 109 5.653 24.373 -13.148 815 HG LEU 109 HG LEU 109 3.772 24.966 -15.020 816 1HD1 LEU 109 HD12 LEU 109 2.546 22.842 -14.540 817 2HD1 LEU 109 HD13 LEU 109 2.338 23.363 -12.871 818 3HD1 LEU 109 HD11 LEU 109 1.572 24.263 -14.176 819 1HD2 LEU 109 HD22 LEU 109 4.489 26.322 -13.033 820 2HD2 LEU 109 HD23 LEU 109 2.754 26.387 -13.314 821 3HD2 LEU 109 HD21 LEU 109 3.400 25.368 -12.033 822 H GLU 110 HN GLU 110 6.564 23.287 -17.263 823 HA GLU 110 HA GLU 110 8.380 25.568 -16.641 824 1HB GLU 110 HB2 GLU 110 8.460 23.194 -18.466 825 2HB GLU 110 HB1 GLU 110 9.163 24.672 -19.113 826 1HG GLU 110 HG1 GLU 110 9.879 23.822 -16.316 827 2HG GLU 110 HG2 GLU 110 10.655 23.021 -17.678 828 H ILE 111 HN ILE 111 8.345 27.412 -17.832 829 HA ILE 111 HA ILE 111 5.871 27.997 -19.245 830 HB ILE 111 HB ILE 111 7.117 29.622 -17.767 831 1HG1 ILE 111 HG11 ILE 111 6.985 30.720 -20.581 832 2HG1 ILE 111 HG12 ILE 111 5.521 30.272 -19.711 833 1HG2 ILE 111 HG22 ILE 111 9.329 28.771 -18.963 834 2HG2 ILE 111 HG23 ILE 111 8.964 30.045 -20.118 835 3HG2 ILE 111 HG21 ILE 111 9.231 30.444 -18.423 836 1HD1 ILE 111 HD13 ILE 111 6.281 31.753 -17.810 837 2HD1 ILE 111 HD11 ILE 111 7.612 32.293 -18.830 838 3HD1 ILE 111 HD12 ILE 111 5.950 32.632 -19.301 839 H LYS 112 HN LYS 112 5.789 28.908 -21.408 840 HA LYS 112 HA LYS 112 7.078 27.244 -23.340 841 1HB LYS 112 HB2 LYS 112 5.510 29.838 -23.457 842 2HB LYS 112 HB1 LYS 112 6.217 29.168 -24.924 843 1HG LYS 112 HG1 LYS 112 4.891 27.225 -24.826 844 2HG LYS 112 HG2 LYS 112 4.565 27.419 -23.107 845 1HD LYS 112 HD1 LYS 112 3.163 29.380 -23.559 846 2HD LYS 112 HD2 LYS 112 3.546 29.287 -25.275 847 1HE LYS 112 HE1 LYS 112 2.322 26.936 -23.828 848 2HE LYS 112 HE2 LYS 112 1.313 28.225 -24.474 849 1HZ LYS 112 HZ1 LYS 112 1.752 27.642 -26.592 850 2HZ LYS 112 HZ2 LYS 112 3.332 27.115 -26.254 851 NH1 ARG 113 NH1 ARG 113 13.647 25.284 -24.319 852 NH2 ARG 113 NH2 ARG 113 15.254 25.361 -22.712 853 H ARG 113 HN ARG 113 8.829 27.534 -24.623 854 HA ARG 113 HA ARG 113 10.472 29.992 -24.149 855 1HB ARG 113 HB2 ARG 113 11.198 27.055 -24.244 856 2HB ARG 113 HB1 ARG 113 12.401 28.250 -24.715 857 1HG ARG 113 HG1 ARG 113 12.295 29.326 -22.559 858 2HG ARG 113 HG2 ARG 113 10.877 28.390 -22.096 859 1HD ARG 113 HD1 ARG 113 13.069 27.543 -21.120 860 2HD ARG 113 HD2 ARG 113 12.162 26.338 -22.033 861 HE ARG 113 HE ARG 113 14.337 27.880 -23.383 862 1HH1 ARG 113 HH11 ARG 113 12.889 25.733 -24.792 863 2HH1 ARG 113 HH12 ARG 113 13.929 24.365 -24.586 864 1HH2 ARG 113 HH21 ARG 113 15.702 25.867 -21.976 865 2HH2 ARG 113 HH22 ARG 113 15.569 24.445 -22.954 Start of MODEL 5 Raw file had 865 H/Q atoms Start of MODEL 5 1 1H ASP 1 HT1 ASP 1 6.085 4.556 -1.174 2 2H ASP 1 HT2 ASP 1 5.638 3.958 0.351 3 3H ASP 1 HT3 ASP 1 6.955 3.276 -0.474 4 HA ASP 1 HA ASP 1 5.687 1.991 -1.766 5 1HB ASP 1 HB2 ASP 1 3.391 2.730 0.081 6 2HB ASP 1 HB1 ASP 1 3.779 1.149 -0.591 7 H VAL 2 HN VAL 2 3.656 1.676 -2.993 8 HA VAL 2 HA VAL 2 3.222 4.119 -4.481 9 HB VAL 2 HB VAL 2 1.935 1.363 -4.769 10 1HG1 VAL 2 HG11 VAL 2 2.008 3.789 -6.596 11 2HG1 VAL 2 HG12 VAL 2 1.553 2.180 -7.147 12 3HG1 VAL 2 HG13 VAL 2 0.579 3.002 -5.932 13 1HG2 VAL 2 HG22 VAL 2 4.368 2.648 -6.054 14 2HG2 VAL 2 HG23 VAL 2 4.332 1.190 -5.066 15 3HG2 VAL 2 HG21 VAL 2 3.608 1.184 -6.671 16 H VAL 3 HN VAL 3 1.273 5.209 -4.773 17 HA VAL 3 HA VAL 3 -0.667 4.848 -2.537 18 HB VAL 3 HB VAL 3 -0.375 7.216 -4.443 19 1HG1 VAL 3 HG12 VAL 3 -1.733 6.794 -1.764 20 2HG1 VAL 3 HG13 VAL 3 -1.436 8.393 -2.440 21 3HG1 VAL 3 HG11 VAL 3 -2.483 7.261 -3.288 22 1HG2 VAL 3 HG23 VAL 3 1.063 6.555 -1.870 23 2HG2 VAL 3 HG21 VAL 3 1.741 7.138 -3.385 24 3HG2 VAL 3 HG22 VAL 3 0.816 8.226 -2.359 25 H MET 4 HN MET 4 -2.940 5.110 -2.998 26 HA MET 4 HA MET 4 -3.739 4.698 -5.826 27 1HB MET 4 HB2 MET 4 -4.081 2.774 -3.524 28 2HB MET 4 HB1 MET 4 -5.365 2.866 -4.723 29 1HG MET 4 HG1 MET 4 -3.492 2.642 -6.476 30 2HG MET 4 HG2 MET 4 -2.464 2.166 -5.151 31 1HE MET 4 HE1 MET 4 -5.428 1.669 -7.214 32 2HE MET 4 HE2 MET 4 -4.328 0.605 -8.089 33 3HE MET 4 HE3 MET 4 -5.745 -0.064 -7.283 34 H THR 5 HN THR 5 -5.140 6.273 -6.170 35 HA THR 5 HA THR 5 -6.893 7.225 -3.982 36 HB THR 5 HB THR 5 -6.909 8.343 -6.821 37 HG1 THR 5 HG1 THR 5 -5.034 9.105 -4.864 38 1HG2 THR 5 HG22 THR 5 -6.934 9.535 -3.987 39 2HG2 THR 5 HG23 THR 5 -6.961 10.494 -5.464 40 3HG2 THR 5 HG21 THR 5 -8.324 9.454 -5.066 41 H GLN 6 HN GLN 6 -8.757 6.124 -3.735 42 HA GLN 6 HA GLN 6 -10.115 5.093 -6.173 43 1HB GLN 6 HB2 GLN 6 -9.690 3.411 -4.436 44 2HB GLN 6 HB1 GLN 6 -10.424 4.436 -3.209 45 1HG GLN 6 HG1 GLN 6 -12.085 3.818 -5.609 46 2HG GLN 6 HG2 GLN 6 -11.807 2.496 -4.481 47 1HE2 GLN 6 HE22 GLN 6 -14.726 4.869 -3.533 48 2HE2 GLN 6 HE21 GLN 6 -14.236 4.372 -5.079 49 H THR 7 HN THR 7 -12.128 5.690 -6.704 50 HA THR 7 HA THR 7 -13.864 7.205 -4.912 51 HB THR 7 HB THR 7 -13.753 9.018 -7.080 52 HG1 THR 7 HG1 THR 7 -11.722 7.593 -7.383 53 1HG2 THR 7 HG23 THR 7 -13.558 9.347 -4.422 54 2HG2 THR 7 HG21 THR 7 -11.827 9.296 -4.741 55 3HG2 THR 7 HG22 THR 7 -12.822 10.545 -5.481 56 HA PRO 8 HA PRO 8 -15.371 8.795 -5.488 57 1HB PRO 8 HB2 PRO 8 -18.189 8.635 -5.369 58 2HB PRO 8 HB1 PRO 8 -17.280 9.671 -6.471 59 1HG PRO 8 HG1 PRO 8 -18.831 7.270 -7.092 60 2HG PRO 8 HG2 PRO 8 -18.105 8.425 -8.210 61 1HD PRO 8 HD1 PRO 8 -17.152 5.774 -7.507 62 2HD PRO 8 HD2 PRO 8 -16.462 6.906 -8.687 63 H LEU 9 HN LEU 9 -16.791 8.976 -3.401 64 HA LEU 9 HA LEU 9 -16.276 6.572 -1.835 65 1HB LEU 9 HB2 LEU 9 -17.294 9.362 -1.345 66 2HB LEU 9 HB1 LEU 9 -17.795 8.143 -0.181 67 HG LEU 9 HG LEU 9 -15.699 9.225 0.543 68 1HD1 LEU 9 HD11 LEU 9 -16.218 6.533 0.505 69 2HD1 LEU 9 HD12 LEU 9 -14.648 6.583 -0.290 70 3HD1 LEU 9 HD13 LEU 9 -14.839 7.257 1.325 71 1HD2 LEU 9 HD21 LEU 9 -14.960 9.699 -1.869 72 2HD2 LEU 9 HD22 LEU 9 -13.696 9.158 -0.770 73 3HD2 LEU 9 HD23 LEU 9 -14.401 8.030 -1.923 74 H SER 10 HN SER 10 -19.276 8.431 -2.307 75 HA SER 10 HA SER 10 -20.765 5.844 -2.090 76 1HB SER 10 HB2 SER 10 -22.701 7.731 -1.684 77 2HB SER 10 HB1 SER 10 -21.671 7.176 -0.353 78 HG SER 10 HG SER 10 -21.095 9.214 -0.303 79 H LEU 11 HN LEU 11 -22.557 5.518 -3.531 80 HA LEU 11 HA LEU 11 -22.647 7.386 -5.854 81 1HB LEU 11 HB2 LEU 11 -21.084 5.294 -6.144 82 2HB LEU 11 HB1 LEU 11 -22.580 4.378 -6.265 83 HG LEU 11 HG LEU 11 -23.193 6.341 -7.996 84 1HD1 LEU 11 HD11 LEU 11 -20.920 7.412 -7.502 85 2HD1 LEU 11 HD12 LEU 11 -20.195 6.049 -8.351 86 3HD1 LEU 11 HD13 LEU 11 -21.279 7.143 -9.205 87 1HD2 LEU 11 HD21 LEU 11 -21.468 3.899 -8.521 88 2HD2 LEU 11 HD22 LEU 11 -23.223 4.004 -8.620 89 3HD2 LEU 11 HD23 LEU 11 -22.224 4.840 -9.802 90 HA PRO 12 HA PRO 12 -26.875 6.181 -4.536 91 1HB PRO 12 HB2 PRO 12 -27.737 8.839 -5.248 92 2HB PRO 12 HB1 PRO 12 -27.546 8.189 -3.620 93 1HG PRO 12 HG1 PRO 12 -25.880 10.140 -4.966 94 2HG PRO 12 HG2 PRO 12 -25.726 9.538 -3.316 95 1HD PRO 12 HD1 PRO 12 -24.062 8.910 -5.596 96 2HD PRO 12 HD2 PRO 12 -23.893 8.323 -3.931 97 H VAL 13 HN VAL 13 -27.821 5.046 -6.144 98 HA VAL 13 HA VAL 13 -28.393 6.457 -8.713 99 HB VAL 13 HB VAL 13 -27.638 4.499 -9.998 100 1HG1 VAL 13 HG11 VAL 13 -25.950 6.248 -9.032 101 2HG1 VAL 13 HG12 VAL 13 -25.437 4.931 -7.983 102 3HG1 VAL 13 HG13 VAL 13 -25.314 4.763 -9.730 103 1HG2 VAL 13 HG22 VAL 13 -27.299 3.304 -7.236 104 2HG2 VAL 13 HG23 VAL 13 -28.213 2.659 -8.597 105 3HG2 VAL 13 HG21 VAL 13 -26.451 2.641 -8.630 106 H SER 14 HN SER 14 -29.572 4.571 -10.141 107 HA SER 14 HA SER 14 -31.857 3.638 -8.449 108 1HB SER 14 HB2 SER 14 -32.287 5.560 -10.156 109 2HB SER 14 HB1 SER 14 -32.027 4.339 -11.418 110 HG SER 14 HG SER 14 -34.026 4.512 -9.463 111 H LEU 15 HN LEU 15 -33.145 1.903 -9.786 112 HA LEU 15 HA LEU 15 -31.175 -0.211 -10.394 113 1HB LEU 15 HB2 LEU 15 -34.210 -0.284 -10.077 114 2HB LEU 15 HB1 LEU 15 -33.189 -1.704 -10.286 115 HG LEU 15 HG LEU 15 -32.667 0.292 -8.073 116 1HD1 LEU 15 HD13 LEU 15 -35.020 -0.566 -7.905 117 2HD1 LEU 15 HD11 LEU 15 -34.381 -2.207 -7.878 118 3HD1 LEU 15 HD12 LEU 15 -33.998 -1.090 -6.572 119 1HD2 LEU 15 HD22 LEU 15 -31.860 -2.532 -8.747 120 2HD2 LEU 15 HD23 LEU 15 -30.835 -1.167 -8.319 121 3HD2 LEU 15 HD21 LEU 15 -31.796 -1.968 -7.080 122 H GLY 16 HN GLY 16 -30.453 0.318 -12.405 123 1HA GLY 16 HA1 GLY 16 -31.166 -0.781 -14.688 124 2HA GLY 16 HA2 GLY 16 -32.444 0.429 -14.621 125 H ASP 17 HN ASP 17 -30.063 1.970 -13.148 126 HA ASP 17 HA ASP 17 -29.329 3.446 -15.580 127 1HB ASP 17 HB2 ASP 17 -29.762 4.173 -12.947 128 2HB ASP 17 HB1 ASP 17 -28.003 4.140 -13.006 129 H GLN 18 HN GLN 18 -26.842 4.334 -15.204 130 HA GLN 18 HA GLN 18 -25.216 1.839 -15.447 131 1HB GLN 18 HB2 GLN 18 -24.987 4.642 -16.592 132 2HB GLN 18 HB1 GLN 18 -23.591 3.571 -16.573 133 1HG GLN 18 HG1 GLN 18 -24.591 2.027 -18.042 134 2HG GLN 18 HG2 GLN 18 -26.220 2.589 -17.678 135 1HE2 GLN 18 HE22 GLN 18 -24.246 5.467 -19.760 136 2HE2 GLN 18 HE21 GLN 18 -23.714 4.982 -18.225 137 H ALA 19 HN ALA 19 -22.901 2.072 -14.800 138 HA ALA 19 HA ALA 19 -22.507 3.952 -12.523 139 1HB ALA 19 HB1 ALA 19 -23.112 1.194 -12.222 140 2HB ALA 19 HB2 ALA 19 -21.377 1.311 -11.950 141 3HB ALA 19 HB3 ALA 19 -22.488 2.264 -10.973 142 H SER 20 HN SER 20 -20.239 4.123 -11.871 143 HA SER 20 HA SER 20 -18.196 2.971 -13.623 144 1HB SER 20 HB2 SER 20 -17.419 5.246 -14.450 145 2HB SER 20 HB1 SER 20 -19.058 4.874 -15.015 146 HG SER 20 HG SER 20 -18.370 6.335 -12.677 147 H ILE 21 HN ILE 21 -17.306 2.243 -11.672 148 HA ILE 21 HA ILE 21 -16.618 4.161 -9.572 149 HB ILE 21 HB ILE 21 -15.559 1.322 -9.931 150 1HG1 ILE 21 HG11 ILE 21 -18.079 2.089 -8.429 151 2HG1 ILE 21 HG12 ILE 21 -18.117 1.549 -10.103 152 1HG2 ILE 21 HG23 ILE 21 -15.510 3.413 -7.836 153 2HG2 ILE 21 HG21 ILE 21 -16.119 1.877 -7.230 154 3HG2 ILE 21 HG22 ILE 21 -14.524 1.961 -7.971 155 1HD1 ILE 21 HD12 ILE 21 -16.467 -0.193 -8.427 156 2HD1 ILE 21 HD13 ILE 21 -18.132 -0.102 -7.860 157 3HD1 ILE 21 HD11 ILE 21 -17.791 -0.614 -9.509 158 H SER 22 HN SER 22 -14.746 5.203 -9.311 159 HA SER 22 HA SER 22 -12.687 4.873 -11.420 160 1HB SER 22 HB2 SER 22 -12.818 7.051 -9.275 161 2HB SER 22 HB1 SER 22 -12.017 7.129 -10.858 162 HG SER 22 HG SER 22 -13.874 7.709 -11.655 163 H CYS 23 HN CYS 23 -10.534 4.599 -11.018 164 HA CYS 23 HA CYS 23 -9.523 4.251 -8.274 165 1HB CYS 23 HB2 CYS 23 -10.000 2.001 -10.226 166 2HB CYS 23 HB1 CYS 23 -8.592 1.914 -9.205 167 NH1 ARG 24 NH1 ARG 24 -2.770 11.220 -10.590 168 NH2 ARG 24 NH2 ARG 24 -3.851 11.487 -12.574 169 H ARG 24 HN ARG 24 -7.880 5.666 -8.570 170 HA ARG 24 HA ARG 24 -6.092 5.234 -10.929 171 1HB ARG 24 HB2 ARG 24 -6.964 7.462 -10.986 172 2HB ARG 24 HB1 ARG 24 -6.812 7.658 -9.246 173 1HG ARG 24 HG1 ARG 24 -4.607 8.257 -9.376 174 2HG ARG 24 HG2 ARG 24 -4.265 7.103 -10.657 175 1HD ARG 24 HD1 ARG 24 -5.492 8.597 -12.263 176 2HD ARG 24 HD2 ARG 24 -5.645 9.786 -10.969 177 HE ARG 24 HE ARG 24 -2.953 8.831 -11.864 178 1HH1 ARG 24 HH11 ARG 24 -2.464 10.609 -9.860 179 2HH1 ARG 24 HH12 ARG 24 -2.574 12.197 -10.540 180 1HH2 ARG 24 HH21 ARG 24 -4.355 11.077 -13.334 181 2HH2 ARG 24 HH22 ARG 24 -3.678 12.469 -12.561 182 H SER 25 HN SER 25 -3.877 5.154 -10.652 183 HA SER 25 HA SER 25 -2.945 4.805 -7.822 184 1HB SER 25 HB2 SER 25 -1.943 3.377 -10.345 185 2HB SER 25 HB1 SER 25 -1.393 3.066 -8.687 186 HG SER 25 HG SER 25 -4.136 3.054 -9.310 187 H SER 26 HN SER 26 -0.728 5.354 -7.414 188 HA SER 26 HA SER 26 0.054 7.842 -8.612 189 1HB SER 26 HB2 SER 26 0.838 7.486 -6.371 190 2HB SER 26 HB1 SER 26 1.423 5.854 -6.744 191 HG SER 26 HG SER 26 2.611 8.296 -7.170 192 H GLN 27 HN GLN 27 1.887 4.778 -8.625 193 HA GLN 27 HA GLN 27 3.141 5.651 -11.176 194 1HB GLN 27 HB2 GLN 27 4.396 4.732 -9.031 195 2HB GLN 27 HB1 GLN 27 3.881 3.155 -9.618 196 1HG GLN 27 HG1 GLN 27 4.890 3.889 -11.895 197 2HG GLN 27 HG2 GLN 27 5.689 5.163 -10.982 198 1HE2 GLN 27 HE22 GLN 27 7.843 2.890 -9.232 199 2HE2 GLN 27 HE21 GLN 27 7.078 4.399 -9.106 200 H SER 28 HN SER 28 3.467 4.000 -12.852 201 HA SER 28 HA SER 28 0.978 2.732 -13.548 202 1HB SER 28 HB2 SER 28 2.707 1.605 -15.304 203 2HB SER 28 HB1 SER 28 2.288 3.324 -15.445 204 HG SER 28 HG SER 28 4.481 2.187 -14.032 205 H LEU 29 HN LEU 29 0.229 0.843 -12.812 206 HA LEU 29 HA LEU 29 1.970 -0.956 -11.313 207 1HB LEU 29 HB2 LEU 29 -0.879 -1.442 -12.279 208 2HB LEU 29 HB1 LEU 29 -0.069 -2.272 -10.964 209 HG LEU 29 HG LEU 29 -0.509 0.726 -10.953 210 1HD1 LEU 29 HD13 LEU 29 -2.272 -1.543 -10.007 211 2HD1 LEU 29 HD11 LEU 29 -2.361 0.054 -9.269 212 3HD1 LEU 29 HD12 LEU 29 -2.721 -0.147 -10.980 213 1HD2 LEU 29 HD22 LEU 29 0.294 -1.364 -8.909 214 2HD2 LEU 29 HD23 LEU 29 1.195 0.067 -9.402 215 3HD2 LEU 29 HD21 LEU 29 -0.267 0.237 -8.437 216 H VAL 30 HN VAL 30 2.539 -0.531 -14.161 217 HA VAL 30 HA VAL 30 1.945 -3.143 -15.404 218 HB VAL 30 HB VAL 30 3.601 -0.771 -16.406 219 1HG1 VAL 30 HG11 VAL 30 2.454 -3.216 -17.800 220 2HG1 VAL 30 HG12 VAL 30 3.142 -1.833 -18.646 221 3HG1 VAL 30 HG13 VAL 30 4.159 -2.821 -17.601 222 1HG2 VAL 30 HG23 VAL 30 1.178 -0.250 -15.945 223 2HG2 VAL 30 HG21 VAL 30 1.602 -0.117 -17.648 224 3HG2 VAL 30 HG22 VAL 30 0.732 -1.533 -17.065 225 H HIS 31 HN HIS 31 3.305 -4.815 -15.313 226 HA HIS 31 HA HIS 31 5.824 -4.538 -13.864 227 1HB HIS 31 HB2 HIS 31 4.179 -6.553 -13.849 228 2HB HIS 31 HB1 HIS 31 4.893 -6.990 -15.398 229 HD2 HIS 31 HD2 HIS 31 5.802 -6.896 -11.610 230 HE1 HIS 31 HE1 HIS 31 9.004 -8.552 -13.638 231 H SER 32 HN SER 32 7.848 -5.413 -14.681 232 HA SER 32 HA SER 32 8.638 -4.143 -17.123 233 1HB SER 32 HB2 SER 32 10.691 -5.904 -16.643 234 2HB SER 32 HB1 SER 32 10.479 -4.425 -15.688 235 HG SER 32 HG SER 32 9.242 -6.920 -15.114 236 H ASN 33 HN ASN 33 7.603 -7.430 -16.421 237 HA ASN 33 HA ASN 33 8.555 -8.496 -18.950 238 1HB ASN 33 HB2 ASN 33 6.894 -10.396 -18.344 239 2HB ASN 33 HB1 ASN 33 8.190 -10.099 -17.191 240 1HD2 ASN 33 HD22 ASN 33 5.745 -9.838 -14.680 241 2HD2 ASN 33 HD21 ASN 33 7.156 -10.605 -15.228 242 H GLY 34 HN GLY 34 5.842 -6.623 -18.053 243 1HA GLY 34 HA1 GLY 34 4.543 -5.563 -19.866 244 2HA GLY 34 HA2 GLY 34 4.690 -7.060 -20.778 245 H ASN 35 HN ASN 35 3.970 -7.166 -17.380 246 HA ASN 35 HA ASN 35 1.151 -7.905 -18.070 247 1HB ASN 35 HB2 ASN 35 3.101 -9.052 -16.032 248 2HB ASN 35 HB1 ASN 35 1.369 -9.353 -15.922 249 1HD2 ASN 35 HD22 ASN 35 1.550 -11.947 -18.264 250 2HD2 ASN 35 HD21 ASN 35 0.790 -11.271 -16.907 251 H THR 36 HN THR 36 -0.343 -6.644 -17.219 252 HA THR 36 HA THR 36 0.407 -4.859 -14.958 253 HB THR 36 HB THR 36 -2.045 -4.780 -16.819 254 HG1 THR 36 HG1 THR 36 -0.753 -3.159 -17.803 255 1HG2 THR 36 HG23 THR 36 -0.726 -2.660 -15.030 256 2HG2 THR 36 HG21 THR 36 -2.139 -2.403 -16.047 257 3HG2 THR 36 HG22 THR 36 -2.247 -3.455 -14.641 258 OH TYR 37 OH TYR 37 2.813 -11.100 -13.902 259 H TYR 37 HN TYR 37 0.078 -5.924 -13.094 260 HA TYR 37 HA TYR 37 -2.253 -7.671 -12.735 261 1HB TYR 37 HB2 TYR 37 -0.130 -6.741 -10.743 262 2HB TYR 37 HB1 TYR 37 -1.273 -8.057 -10.483 263 HD1 TYR 37 HD2 TYR 37 -1.324 -9.691 -12.733 264 HD2 TYR 37 HD1 TYR 37 2.018 -7.492 -11.284 265 HE1 TYR 37 HE2 TYR 37 0.188 -11.228 -13.897 266 HE2 TYR 37 HE1 TYR 37 3.532 -9.032 -12.449 267 HH TYR 37 HH TYR 37 2.856 -11.913 -13.393 268 H LEU 38 HN LEU 38 -4.138 -7.016 -12.126 269 HA LEU 38 HA LEU 38 -4.643 -5.228 -9.940 270 1HB LEU 38 HB2 LEU 38 -3.942 -3.550 -11.693 271 2HB LEU 38 HB1 LEU 38 -5.234 -4.138 -12.734 272 HG LEU 38 HG LEU 38 -6.105 -3.455 -9.990 273 1HD1 LEU 38 HD12 LEU 38 -4.643 -1.507 -11.709 274 2HD1 LEU 38 HD13 LEU 38 -6.137 -0.939 -10.971 275 3HD1 LEU 38 HD11 LEU 38 -4.829 -1.542 -9.960 276 1HD2 LEU 38 HD22 LEU 38 -7.332 -3.932 -12.371 277 2HD2 LEU 38 HD23 LEU 38 -8.072 -2.997 -11.082 278 3HD2 LEU 38 HD21 LEU 38 -7.265 -2.178 -12.410 279 H ASN 39 HN ASN 39 -6.676 -5.601 -9.203 280 HA ASN 39 HA ASN 39 -8.643 -6.739 -11.126 281 1HB ASN 39 HB2 ASN 39 -9.254 -8.458 -9.371 282 2HB ASN 39 HB1 ASN 39 -7.618 -8.663 -9.987 283 1HD2 ASN 39 HD22 ASN 39 -6.880 -8.874 -6.499 284 2HD2 ASN 39 HD21 ASN 39 -7.240 -9.800 -7.872 285 CH2 TRP 40 CH2 TRP 40 -12.867 0.100 -10.004 286 H TRP 40 HN TRP 40 -10.785 -7.107 -9.906 287 HA TRP 40 HA TRP 40 -11.353 -4.713 -8.210 288 1HB TRP 40 HB2 TRP 40 -12.826 -5.889 -10.592 289 2HB TRP 40 HB1 TRP 40 -13.660 -4.858 -9.441 290 HD1 TRP 40 HD1 TRP 40 -10.785 -4.739 -12.040 291 HE1 TRP 40 HE1 TRP 40 -10.465 -2.286 -12.566 292 HE3 TRP 40 HE3 TRP 40 -13.846 -2.829 -8.663 293 HZ2 TRP 40 HZ2 TRP 40 -11.462 0.313 -11.606 294 HZ3 TRP 40 HZ3 TRP 40 -14.208 -0.416 -8.421 295 HH2 TRP 40 HH2 TRP 40 -13.044 1.160 -9.912 296 OH TYR 41 OH TYR 41 -7.484 -8.085 -4.950 297 H TYR 41 HN TYR 41 -12.957 -4.974 -6.643 298 HA TYR 41 HA TYR 41 -13.894 -7.790 -6.228 299 1HB TYR 41 HB2 TYR 41 -13.119 -5.877 -3.991 300 2HB TYR 41 HB1 TYR 41 -13.456 -7.593 -3.847 301 HD1 TYR 41 HD2 TYR 41 -11.856 -8.928 -5.807 302 HD2 TYR 41 HD1 TYR 41 -10.883 -5.422 -3.600 303 HE1 TYR 41 HE2 TYR 41 -9.469 -9.481 -5.969 304 HE2 TYR 41 HE1 TYR 41 -8.506 -5.979 -3.759 305 HH TYR 41 HH TYR 41 -6.997 -7.286 -5.174 306 H LEU 42 HN LEU 42 -15.747 -7.993 -4.855 307 HA LEU 42 HA LEU 42 -17.386 -5.640 -4.266 308 1HB LEU 42 HB2 LEU 42 -18.140 -5.785 -6.520 309 2HB LEU 42 HB1 LEU 42 -17.976 -7.533 -6.568 310 HG LEU 42 HG LEU 42 -19.910 -7.759 -5.025 311 1HD1 LEU 42 HD13 LEU 42 -19.664 -4.764 -5.034 312 2HD1 LEU 42 HD11 LEU 42 -21.257 -5.479 -4.843 313 3HD1 LEU 42 HD12 LEU 42 -19.987 -5.844 -3.687 314 1HD2 LEU 42 HD21 LEU 42 -20.128 -6.299 -7.629 315 2HD2 LEU 42 HD22 LEU 42 -20.701 -7.907 -7.199 316 3HD2 LEU 42 HD23 LEU 42 -21.589 -6.484 -6.664 317 H GLN 43 HN GLN 43 -18.030 -6.149 -2.271 318 HA GLN 43 HA GLN 43 -19.154 -8.879 -1.840 319 1HB GLN 43 HB2 GLN 43 -16.875 -7.542 -0.454 320 2HB GLN 43 HB1 GLN 43 -18.038 -8.317 0.615 321 1HG GLN 43 HG1 GLN 43 -17.215 -9.892 -1.778 322 2HG GLN 43 HG2 GLN 43 -15.983 -9.660 -0.541 323 1HE2 GLN 43 HE22 GLN 43 -19.090 -12.168 0.160 324 2HE2 GLN 43 HE21 GLN 43 -18.950 -11.324 -1.306 325 H LYS 44 HN LYS 44 -20.604 -9.063 -0.097 326 HA LYS 44 HA LYS 44 -21.850 -6.468 0.718 327 1HB LYS 44 HB2 LYS 44 -23.100 -7.894 -1.026 328 2HB LYS 44 HB1 LYS 44 -23.292 -9.118 0.220 329 1HG LYS 44 HG1 LYS 44 -24.275 -7.150 1.652 330 2HG LYS 44 HG2 LYS 44 -24.465 -6.339 0.102 331 1HD LYS 44 HD1 LYS 44 -25.603 -9.061 0.837 332 2HD LYS 44 HD2 LYS 44 -26.521 -7.570 0.675 333 1HE LYS 44 HE1 LYS 44 -26.831 -8.207 -1.488 334 2HE LYS 44 HE2 LYS 44 -25.171 -7.677 -1.736 335 1HZ LYS 44 HZ1 LYS 44 -24.570 -9.751 -2.146 336 2HZ LYS 44 HZ2 LYS 44 -25.196 -10.295 -0.661 337 H ALA 45 HN ALA 45 -23.526 -9.075 1.940 338 HA ALA 45 HA ALA 45 -22.412 -8.606 4.620 339 1HB ALA 45 HB3 ALA 45 -24.677 -10.393 3.605 340 2HB ALA 45 HB1 ALA 45 -24.296 -10.149 5.306 341 3HB ALA 45 HB2 ALA 45 -24.864 -8.799 4.330 342 H GLY 46 HN GLY 46 -22.579 -11.191 2.248 343 1HA GLY 46 HA1 GLY 46 -20.177 -12.456 3.033 344 2HA GLY 46 HA2 GLY 46 -21.484 -13.273 3.888 345 H GLN 47 HN GLN 47 -21.307 -11.897 0.613 346 HA GLN 47 HA GLN 47 -22.623 -14.270 -0.480 347 1HB GLN 47 HB2 GLN 47 -22.543 -11.628 -1.231 348 2HB GLN 47 HB1 GLN 47 -21.360 -12.302 -2.339 349 1HG GLN 47 HG1 GLN 47 -23.282 -12.697 -3.580 350 2HG GLN 47 HG2 GLN 47 -23.274 -14.174 -2.623 351 1HE2 GLN 47 HE22 GLN 47 -26.642 -12.544 -2.337 352 2HE2 GLN 47 HE21 GLN 47 -25.704 -13.090 -3.641 353 H SER 48 HN SER 48 -21.745 -15.457 -2.301 354 HA SER 48 HA SER 48 -19.086 -16.423 -1.717 355 1HB SER 48 HB2 SER 48 -21.334 -17.155 -3.500 356 2HB SER 48 HB1 SER 48 -19.740 -17.512 -4.195 357 HG SER 48 HG SER 48 -20.613 -19.136 -2.706 358 HA PRO 49 HA PRO 49 -17.870 -14.494 -5.942 359 1HB PRO 49 HB2 PRO 49 -19.677 -12.390 -6.676 360 2HB PRO 49 HB1 PRO 49 -19.474 -13.942 -7.488 361 1HG PRO 49 HG1 PRO 49 -21.700 -13.051 -5.839 362 2HG PRO 49 HG2 PRO 49 -21.556 -14.548 -6.761 363 1HD PRO 49 HD1 PRO 49 -21.371 -14.213 -3.906 364 2HD PRO 49 HD2 PRO 49 -21.202 -15.712 -4.834 365 H LYS 50 HN LYS 50 -16.193 -13.221 -5.422 366 HA LYS 50 HA LYS 50 -16.734 -10.551 -4.222 367 1HB LYS 50 HB2 LYS 50 -14.177 -11.675 -3.367 368 2HB LYS 50 HB1 LYS 50 -15.477 -11.050 -2.367 369 1HG LYS 50 HG1 LYS 50 -15.404 -13.294 -1.706 370 2HG LYS 50 HG2 LYS 50 -16.647 -13.332 -2.947 371 1HD LYS 50 HD1 LYS 50 -15.272 -15.101 -3.629 372 2HD LYS 50 HD2 LYS 50 -14.615 -13.771 -4.574 373 1HE LYS 50 HE1 LYS 50 -13.505 -14.255 -1.828 374 2HE LYS 50 HE2 LYS 50 -13.019 -15.332 -3.130 375 1HZ LYS 50 HZ1 LYS 50 -12.751 -12.942 -4.296 376 2HZ LYS 50 HZ2 LYS 50 -12.354 -12.553 -2.690 377 H LEU 51 HN LEU 51 -15.752 -11.963 -6.830 378 HA LEU 51 HA LEU 51 -13.754 -9.843 -7.443 379 1HB LEU 51 HB2 LEU 51 -12.346 -11.749 -6.956 380 2HB LEU 51 HB1 LEU 51 -13.409 -12.848 -7.821 381 HG LEU 51 HG LEU 51 -12.845 -11.391 -9.923 382 1HD1 LEU 51 HD12 LEU 51 -11.490 -9.891 -8.025 383 2HD1 LEU 51 HD13 LEU 51 -10.204 -10.856 -8.743 384 3HD1 LEU 51 HD11 LEU 51 -11.204 -9.825 -9.761 385 1HD2 LEU 51 HD22 LEU 51 -10.773 -13.167 -8.592 386 2HD2 LEU 51 HD23 LEU 51 -12.081 -13.702 -9.643 387 3HD2 LEU 51 HD21 LEU 51 -10.772 -12.724 -10.296 388 H LEU 52 HN LEU 52 -14.005 -8.951 -9.391 389 HA LEU 52 HA LEU 52 -15.905 -10.289 -11.284 390 1HB LEU 52 HB2 LEU 52 -15.337 -7.312 -10.848 391 2HB LEU 52 HB1 LEU 52 -16.447 -7.953 -12.054 392 HG LEU 52 HG LEU 52 -16.717 -8.526 -9.082 393 1HD1 LEU 52 HD11 LEU 52 -16.932 -6.071 -9.658 394 2HD1 LEU 52 HD12 LEU 52 -18.259 -6.498 -10.733 395 3HD1 LEU 52 HD13 LEU 52 -18.401 -6.784 -9.003 396 1HD2 LEU 52 HD22 LEU 52 -18.433 -8.974 -11.536 397 2HD2 LEU 52 HD23 LEU 52 -17.912 -10.159 -10.342 398 3HD2 LEU 52 HD21 LEU 52 -19.128 -8.958 -9.918 399 H ILE 53 HN ILE 53 -13.631 -7.584 -11.589 400 HA ILE 53 HA ILE 53 -12.537 -8.883 -14.042 401 HB ILE 53 HB ILE 53 -12.087 -6.068 -12.947 402 1HG1 ILE 53 HG11 ILE 53 -14.514 -6.808 -13.634 403 2HG1 ILE 53 HG12 ILE 53 -13.879 -5.253 -14.153 404 1HG2 ILE 53 HG21 ILE 53 -11.494 -7.459 -15.588 405 2HG2 ILE 53 HG22 ILE 53 -11.532 -5.703 -15.460 406 3HG2 ILE 53 HG23 ILE 53 -10.358 -6.627 -14.532 407 1HD1 ILE 53 HD12 ILE 53 -13.539 -7.728 -15.843 408 2HD1 ILE 53 HD13 ILE 53 -14.987 -6.734 -15.952 409 3HD1 ILE 53 HD11 ILE 53 -13.414 -6.044 -16.334 410 OH TYR 54 OH TYR 54 -8.702 -14.494 -16.527 411 H TYR 54 HN TYR 54 -10.385 -9.500 -14.147 412 HA TYR 54 HA TYR 54 -8.685 -8.773 -11.807 413 1HB TYR 54 HB2 TYR 54 -7.989 -11.082 -11.485 414 2HB TYR 54 HB1 TYR 54 -9.748 -11.090 -11.538 415 HD1 TYR 54 HD2 TYR 54 -6.681 -11.917 -13.414 416 HD2 TYR 54 HD1 TYR 54 -10.933 -12.054 -13.432 417 HE1 TYR 54 HE2 TYR 54 -6.618 -13.469 -15.306 418 HE2 TYR 54 HE1 TYR 54 -10.867 -13.597 -15.340 419 HH TYR 54 HH TYR 54 -8.706 -15.393 -16.191 420 H LYS 55 HN LYS 55 -8.929 -8.355 -14.889 421 HA LYS 55 HA LYS 55 -6.003 -8.368 -15.271 422 1HB LYS 55 HB2 LYS 55 -7.090 -10.558 -16.182 423 2HB LYS 55 HB1 LYS 55 -7.819 -9.537 -17.418 424 1HG LYS 55 HG1 LYS 55 -5.870 -10.026 -18.543 425 2HG LYS 55 HG2 LYS 55 -5.259 -8.672 -17.603 426 1HD LYS 55 HD1 LYS 55 -5.150 -11.527 -16.583 427 2HD LYS 55 HD2 LYS 55 -3.851 -10.821 -17.537 428 1HE LYS 55 HE1 LYS 55 -4.841 -9.963 -14.812 429 2HE LYS 55 HE2 LYS 55 -3.215 -10.445 -15.274 430 1HZ LYS 55 HZ1 LYS 55 -3.515 -8.017 -14.995 431 2HZ LYS 55 HZ2 LYS 55 -2.954 -8.460 -16.534 432 H VAL 56 HN VAL 56 -7.613 -6.251 -14.785 433 HA VAL 56 HA VAL 56 -7.931 -4.070 -15.523 434 HB VAL 56 HB VAL 56 -6.694 -4.999 -18.156 435 1HG1 VAL 56 HG11 VAL 56 -7.840 -2.778 -18.163 436 2HG1 VAL 56 HG12 VAL 56 -6.816 -2.271 -16.821 437 3HG1 VAL 56 HG13 VAL 56 -6.099 -2.627 -18.389 438 1HG2 VAL 56 HG22 VAL 56 -5.411 -4.035 -15.576 439 2HG2 VAL 56 HG23 VAL 56 -5.133 -5.570 -16.394 440 3HG2 VAL 56 HG21 VAL 56 -4.563 -4.071 -17.120 441 H SER 57 HN SER 57 -9.051 -6.694 -17.586 442 HA SER 57 HA SER 57 -11.532 -5.158 -17.991 443 1HB SER 57 HB2 SER 57 -10.037 -4.423 -19.881 444 2HB SER 57 HB1 SER 57 -9.879 -6.120 -20.385 445 HG SER 57 HG SER 57 -12.056 -4.400 -20.528 446 H ASN 58 HN ASN 58 -9.747 -8.077 -18.943 447 HA ASN 58 HA ASN 58 -12.027 -9.615 -19.656 448 1HB ASN 58 HB2 ASN 58 -9.917 -10.546 -20.255 449 2HB ASN 58 HB1 ASN 58 -9.242 -10.279 -18.653 450 1HD2 ASN 58 HD22 ASN 58 -10.347 -13.351 -17.375 451 2HD2 ASN 58 HD21 ASN 58 -9.548 -11.881 -17.075 452 NH1 ARG 59 NH1 ARG 59 -17.004 -10.266 -21.190 453 NH2 ARG 59 NH2 ARG 59 -18.086 -8.317 -20.736 454 H ARG 59 HN ARG 59 -13.603 -10.443 -18.489 455 HA ARG 59 HA ARG 59 -13.643 -10.082 -15.590 456 1HB ARG 59 HB2 ARG 59 -15.619 -11.385 -17.500 457 2HB ARG 59 HB1 ARG 59 -15.952 -10.990 -15.818 458 1HG ARG 59 HG1 ARG 59 -16.027 -8.712 -16.220 459 2HG ARG 59 HG2 ARG 59 -14.893 -8.803 -17.563 460 1HD ARG 59 HD1 ARG 59 -17.343 -10.312 -18.075 461 2HD ARG 59 HD2 ARG 59 -17.655 -8.602 -17.789 462 HE ARG 59 HE ARG 59 -15.495 -8.653 -19.566 463 1HH1 ARG 59 HH11 ARG 59 -16.288 -10.921 -20.952 464 2HH1 ARG 59 HH12 ARG 59 -17.597 -10.436 -21.978 465 1HH2 ARG 59 HH21 ARG 59 -18.188 -7.509 -20.156 466 2HH2 ARG 59 HH22 ARG 59 -18.689 -8.446 -21.522 467 H PHE 60 HN PHE 60 -14.509 -11.897 -14.220 468 HA PHE 60 HA PHE 60 -12.781 -14.258 -14.633 469 1HB PHE 60 HB2 PHE 60 -12.820 -13.188 -12.396 470 2HB PHE 60 HB1 PHE 60 -14.567 -13.391 -12.304 471 HD1 PHE 60 HD1 PHE 60 -11.365 -15.293 -12.537 472 HD2 PHE 60 HD2 PHE 60 -15.508 -15.451 -11.555 473 HE1 PHE 60 HE1 PHE 60 -11.066 -17.553 -11.626 474 HE2 PHE 60 HE2 PHE 60 -15.204 -17.711 -10.647 475 HZ PHE 60 HZ PHE 60 -12.983 -18.764 -10.679 476 H SER 61 HN SER 61 -13.664 -16.436 -14.326 477 HA SER 61 HA SER 61 -15.920 -16.935 -15.998 478 1HB SER 61 HB2 SER 61 -14.321 -18.602 -14.024 479 2HB SER 61 HB1 SER 61 -15.767 -19.287 -14.792 480 HG SER 61 HG SER 61 -13.641 -17.980 -16.154 481 H GLY 62 HN GLY 62 -17.946 -16.449 -15.568 482 1HA GLY 62 HA1 GLY 62 -19.948 -17.130 -14.229 483 2HA GLY 62 HA2 GLY 62 -18.972 -16.876 -12.784 484 H VAL 63 HN VAL 63 -17.810 -14.487 -14.339 485 HA VAL 63 HA VAL 63 -19.625 -12.521 -13.184 486 HB VAL 63 HB VAL 63 -17.119 -12.260 -14.914 487 1HG1 VAL 63 HG11 VAL 63 -18.702 -10.177 -13.368 488 2HG1 VAL 63 HG12 VAL 63 -17.090 -9.902 -14.020 489 3HG1 VAL 63 HG13 VAL 63 -18.438 -10.217 -15.108 490 1HG2 VAL 63 HG21 VAL 63 -17.575 -12.000 -11.921 491 2HG2 VAL 63 HG22 VAL 63 -16.712 -13.306 -12.726 492 3HG2 VAL 63 HG23 VAL 63 -16.050 -11.676 -12.741 493 HA PRO 64 HA PRO 64 -22.113 -12.154 -16.817 494 1HB PRO 64 HB2 PRO 64 -23.147 -9.621 -15.924 495 2HB PRO 64 HB1 PRO 64 -23.925 -11.193 -15.783 496 1HG PRO 64 HG1 PRO 64 -22.720 -9.599 -13.679 497 2HG PRO 64 HG2 PRO 64 -23.571 -11.136 -13.523 498 1HD PRO 64 HD1 PRO 64 -20.738 -10.662 -13.303 499 2HD PRO 64 HD2 PRO 64 -21.589 -12.212 -13.180 500 H ASP 65 HN ASP 65 -22.490 -10.561 -18.561 501 HA ASP 65 HA ASP 65 -19.997 -9.226 -19.258 502 1HB ASP 65 HB2 ASP 65 -22.215 -10.314 -20.645 503 2HB ASP 65 HB1 ASP 65 -22.269 -8.589 -20.997 504 NH1 ARG 66 NH2 ARG 66 -26.883 -8.789 -14.557 505 NH2 ARG 66 NH1 ARG 66 -26.930 -7.535 -12.662 506 H ARG 66 HN ARG 66 -22.838 -8.243 -17.648 507 HA ARG 66 HA ARG 66 -22.967 -5.512 -18.515 508 1HB ARG 66 HB2 ARG 66 -24.063 -5.203 -16.166 509 2HB ARG 66 HB1 ARG 66 -24.854 -6.312 -17.277 510 1HG ARG 66 HG1 ARG 66 -24.334 -8.149 -16.025 511 2HG ARG 66 HG2 ARG 66 -22.747 -7.528 -15.581 512 1HD ARG 66 HD1 ARG 66 -23.546 -6.466 -13.703 513 2HD ARG 66 HD2 ARG 66 -25.088 -6.063 -14.456 514 HE ARG 66 HE ARG 66 -24.427 -8.714 -13.243 515 1HH1 ARG 66 HH21 ARG 66 -26.350 -9.224 -15.281 516 2HH1 ARG 66 HH22 ARG 66 -27.879 -8.877 -14.545 517 1HH2 ARG 66 HH11 ARG 66 -26.431 -7.026 -11.959 518 2HH2 ARG 66 HH12 ARG 66 -27.928 -7.591 -12.626 519 H PHE 67 HN PHE 67 -20.609 -7.127 -16.739 520 HA PHE 67 HA PHE 67 -19.697 -4.627 -15.399 521 1HB PHE 67 HB2 PHE 67 -18.988 -7.574 -15.103 522 2HB PHE 67 HB1 PHE 67 -17.984 -6.320 -14.387 523 HD1 PHE 67 HD1 PHE 67 -19.093 -4.657 -12.790 524 HD2 PHE 67 HD2 PHE 67 -21.016 -8.246 -14.038 525 HE1 PHE 67 HE1 PHE 67 -20.643 -4.484 -10.898 526 HE2 PHE 67 HE2 PHE 67 -22.559 -8.076 -12.129 527 HZ PHE 67 HZ PHE 67 -22.381 -6.190 -10.565 528 H SER 68 HN SER 68 -18.213 -3.441 -16.397 529 HA SER 68 HA SER 68 -16.301 -4.830 -18.235 530 1HB SER 68 HB2 SER 68 -17.956 -3.545 -19.571 531 2HB SER 68 HB1 SER 68 -17.627 -2.091 -18.607 532 HG SER 68 HG SER 68 -16.265 -1.988 -20.346 533 H GLY 69 HN GLY 69 -14.234 -4.457 -17.838 534 1HA GLY 69 HA1 GLY 69 -13.533 -2.172 -16.033 535 2HA GLY 69 HA2 GLY 69 -12.690 -3.719 -16.007 536 H SER 70 HN SER 70 -11.788 -0.909 -16.571 537 HA SER 70 HA SER 70 -10.045 -1.608 -18.817 538 1HB SER 70 HB2 SER 70 -12.378 0.290 -19.110 539 2HB SER 70 HB1 SER 70 -10.857 0.736 -19.910 540 HG SER 70 HG SER 70 -12.488 -1.519 -20.268 541 H GLY 71 HN GLY 71 -8.256 -0.237 -18.994 542 1HA GLY 71 HA1 GLY 71 -7.940 2.270 -17.704 543 2HA GLY 71 HA2 GLY 71 -7.420 1.026 -16.573 544 H SER 72 HN SER 72 -5.691 2.972 -17.619 545 HA SER 72 HA SER 72 -4.115 1.612 -19.721 546 1HB SER 72 HB2 SER 72 -2.651 3.757 -19.402 547 2HB SER 72 HB1 SER 72 -4.302 4.035 -19.986 548 HG SER 72 HG SER 72 -4.674 5.052 -18.191 549 H GLY 73 HN GLY 73 -2.751 3.404 -17.023 550 1HA GLY 73 HA1 GLY 73 -1.518 0.916 -15.957 551 2HA GLY 73 HA2 GLY 73 -0.443 2.206 -16.487 552 H THR 74 HN THR 74 -2.235 4.326 -15.615 553 HA THR 74 HA THR 74 -1.923 4.017 -12.658 554 HB THR 74 HB THR 74 -1.354 6.442 -12.580 555 HG1 THR 74 HG1 THR 74 -2.865 6.719 -14.451 556 1HG2 THR 74 HG21 THR 74 0.523 4.883 -13.367 557 2HG2 THR 74 HG22 THR 74 0.010 5.188 -15.023 558 3HG2 THR 74 HG23 THR 74 0.652 6.502 -14.045 559 H ASP 75 HN ASP 75 -4.213 3.773 -14.711 560 HA ASP 75 HA ASP 75 -6.215 5.005 -12.947 561 1HB ASP 75 HB2 ASP 75 -5.593 6.782 -14.662 562 2HB ASP 75 HB1 ASP 75 -6.147 5.688 -15.926 563 H PHE 76 HN PHE 76 -8.023 3.849 -12.865 564 HA PHE 76 HA PHE 76 -8.736 2.012 -15.078 565 1HB PHE 76 HB2 PHE 76 -8.595 1.002 -12.204 566 2HB PHE 76 HB1 PHE 76 -8.766 0.047 -13.673 567 HD1 PHE 76 HD2 PHE 76 -6.812 -0.319 -15.156 568 HD2 PHE 76 HD1 PHE 76 -6.417 1.848 -11.509 569 HE1 PHE 76 HE2 PHE 76 -4.371 -0.550 -15.280 570 HE2 PHE 76 HE1 PHE 76 -3.976 1.601 -11.630 571 HZ PHE 76 HZ PHE 76 -2.952 0.391 -13.509 572 H THR 77 HN THR 77 -10.934 1.408 -15.060 573 HA THR 77 HA THR 77 -12.610 2.550 -12.890 574 HB THR 77 HB THR 77 -13.106 3.119 -15.870 575 HG1 THR 77 HG1 THR 77 -11.518 4.212 -13.947 576 1HG2 THR 77 HG23 THR 77 -14.975 3.200 -13.863 577 2HG2 THR 77 HG21 THR 77 -14.188 4.747 -13.565 578 3HG2 THR 77 HG22 THR 77 -14.936 4.424 -15.126 579 H LEU 78 HN LEU 78 -14.504 1.528 -12.538 580 HA LEU 78 HA LEU 78 -14.989 -0.958 -14.128 581 1HB LEU 78 HB2 LEU 78 -14.512 -1.065 -11.604 582 2HB LEU 78 HB1 LEU 78 -16.030 -0.220 -11.351 583 HG LEU 78 HG LEU 78 -16.068 -2.690 -13.065 584 1HD1 LEU 78 HD12 LEU 78 -15.771 -2.611 -10.045 585 2HD1 LEU 78 HD13 LEU 78 -16.410 -4.007 -10.910 586 3HD1 LEU 78 HD11 LEU 78 -14.755 -3.475 -11.197 587 1HD2 LEU 78 HD21 LEU 78 -17.917 -1.012 -11.483 588 2HD2 LEU 78 HD22 LEU 78 -18.234 -1.990 -12.909 589 3HD2 LEU 78 HD23 LEU 78 -18.187 -2.742 -11.318 590 H LYS 79 HN LYS 79 -16.369 -0.343 -15.707 591 HA LYS 79 HA LYS 79 -18.675 1.387 -15.009 592 1HB LYS 79 HB2 LYS 79 -17.340 0.498 -17.572 593 2HB LYS 79 HB1 LYS 79 -18.995 1.096 -17.629 594 1HG LYS 79 HG1 LYS 79 -18.353 3.216 -16.683 595 2HG LYS 79 HG2 LYS 79 -16.744 2.621 -16.285 596 1HD LYS 79 HD1 LYS 79 -16.243 2.342 -18.690 597 2HD LYS 79 HD2 LYS 79 -17.859 2.905 -19.100 598 1HE LYS 79 HE1 LYS 79 -17.391 5.105 -18.515 599 2HE LYS 79 HE2 LYS 79 -16.159 4.644 -17.347 600 1HZ LYS 79 HZ1 LYS 79 -15.610 3.974 -20.123 601 2HZ LYS 79 HZ2 LYS 79 -15.593 5.630 -19.732 602 H ILE 80 HN ILE 80 -20.735 0.739 -15.032 603 HA ILE 80 HA ILE 80 -21.288 -2.110 -15.757 604 HB ILE 80 HB ILE 80 -22.647 -0.439 -13.589 605 1HG1 ILE 80 HG11 ILE 80 -20.596 -2.662 -13.277 606 2HG1 ILE 80 HG12 ILE 80 -20.268 -0.950 -13.043 607 1HG2 ILE 80 HG23 ILE 80 -23.911 -2.392 -14.710 608 2HG2 ILE 80 HG21 ILE 80 -22.680 -3.462 -14.043 609 3HG2 ILE 80 HG22 ILE 80 -23.724 -2.537 -12.967 610 1HD1 ILE 80 HD12 ILE 80 -22.157 -0.955 -11.315 611 2HD1 ILE 80 HD13 ILE 80 -22.127 -2.711 -11.422 612 3HD1 ILE 80 HD11 ILE 80 -20.707 -1.840 -10.858 613 H SER 81 HN SER 81 -22.989 -2.535 -16.986 614 HA SER 81 HA SER 81 -24.083 -0.343 -18.456 615 1HB SER 81 HB2 SER 81 -24.917 -3.281 -18.343 616 2HB SER 81 HB1 SER 81 -25.505 -2.122 -19.551 617 HG SER 81 HG SER 81 -23.529 -1.957 -20.390 618 NH1 ARG 82 NH2 ARG 82 -29.806 -6.985 -19.523 619 NH2 ARG 82 NH1 ARG 82 -30.354 -5.442 -21.106 620 H ARG 82 HN ARG 82 -26.012 -2.805 -16.781 621 HA ARG 82 HA ARG 82 -27.823 -0.602 -15.898 622 1HB ARG 82 HB2 ARG 82 -29.302 -3.016 -15.867 623 2HB ARG 82 HB1 ARG 82 -29.443 -1.732 -17.057 624 1HG ARG 82 HG1 ARG 82 -27.842 -2.796 -18.518 625 2HG ARG 82 HG2 ARG 82 -27.393 -3.959 -17.276 626 1HD ARG 82 HD1 ARG 82 -29.477 -5.096 -17.424 627 2HD ARG 82 HD2 ARG 82 -30.238 -3.758 -18.286 628 HE ARG 82 HE ARG 82 -28.076 -4.671 -19.887 629 1HH1 ARG 82 HH21 ARG 82 -29.290 -7.218 -18.700 630 2HH1 ARG 82 HH22 ARG 82 -30.399 -7.666 -19.951 631 1HH2 ARG 82 HH11 ARG 82 -30.249 -4.517 -21.470 632 2HH2 ARG 82 HH12 ARG 82 -30.959 -6.093 -21.563 633 H VAL 83 HN VAL 83 -27.270 -0.288 -13.835 634 HA VAL 83 HA VAL 83 -26.379 -2.335 -12.033 635 HB VAL 83 HB VAL 83 -27.611 0.418 -11.511 636 1HG1 VAL 83 HG12 VAL 83 -26.292 -1.588 -9.654 637 2HG1 VAL 83 HG13 VAL 83 -26.405 0.125 -9.261 638 3HG1 VAL 83 HG11 VAL 83 -27.871 -0.826 -9.473 639 1HG2 VAL 83 HG21 VAL 83 -25.321 0.045 -12.767 640 2HG2 VAL 83 HG22 VAL 83 -25.415 1.245 -11.481 641 3HG2 VAL 83 HG23 VAL 83 -24.717 -0.340 -11.158 642 H GLU 84 HN GLU 84 -27.452 -3.656 -10.691 643 HA GLU 84 HA GLU 84 -30.429 -3.372 -10.560 644 1HB GLU 84 HB2 GLU 84 -28.817 -5.968 -10.604 645 2HB GLU 84 HB1 GLU 84 -30.571 -5.831 -10.646 646 1HG GLU 84 HG1 GLU 84 -29.709 -4.185 -12.751 647 2HG GLU 84 HG2 GLU 84 -28.643 -5.581 -12.841 648 H ALA 85 HN ALA 85 -31.378 -4.556 -8.676 649 HA ALA 85 HA ALA 85 -30.331 -3.587 -6.239 650 1HB ALA 85 HB3 ALA 85 -32.699 -4.376 -6.639 651 2HB ALA 85 HB1 ALA 85 -32.113 -6.037 -6.627 652 3HB ALA 85 HB2 ALA 85 -32.002 -5.054 -5.171 653 H GLU 86 HN GLU 86 -29.564 -6.493 -7.968 654 HA GLU 86 HA GLU 86 -28.324 -7.830 -5.687 655 1HB GLU 86 HB2 GLU 86 -28.181 -8.313 -8.700 656 2HB GLU 86 HB1 GLU 86 -27.462 -9.385 -7.504 657 1HG GLU 86 HG1 GLU 86 -30.019 -9.102 -6.522 658 2HG GLU 86 HG2 GLU 86 -30.299 -9.048 -8.260 659 H ASP 87 HN ASP 87 -27.198 -5.937 -8.449 660 HA ASP 87 HA ASP 87 -24.391 -6.328 -7.974 661 1HB ASP 87 HB2 ASP 87 -25.796 -3.928 -9.245 662 2HB ASP 87 HB1 ASP 87 -24.109 -4.373 -9.471 663 H LEU 88 HN LEU 88 -26.731 -4.541 -6.285 664 HA LEU 88 HA LEU 88 -25.249 -2.311 -5.347 665 1HB LEU 88 HB2 LEU 88 -27.365 -4.005 -3.949 666 2HB LEU 88 HB1 LEU 88 -26.800 -2.451 -3.350 667 HG LEU 88 HG LEU 88 -28.105 -2.913 -6.055 668 1HD1 LEU 88 HD11 LEU 88 -29.657 -3.118 -4.117 669 2HD1 LEU 88 HD12 LEU 88 -29.132 -1.537 -3.546 670 3HD1 LEU 88 HD13 LEU 88 -29.999 -1.680 -5.072 671 1HD2 LEU 88 HD23 LEU 88 -26.669 -0.635 -4.807 672 2HD2 LEU 88 HD21 LEU 88 -26.935 -0.993 -6.507 673 3HD2 LEU 88 HD22 LEU 88 -28.203 -0.229 -5.561 674 H GLY 89 HN GLY 89 -24.066 -1.953 -3.457 675 1HA GLY 89 HA1 GLY 89 -23.359 -3.329 -1.296 676 2HA GLY 89 HA2 GLY 89 -22.595 -4.357 -2.506 677 H ILE 90 HN ILE 90 -20.653 -3.726 -1.214 678 HA ILE 90 HA ILE 90 -19.655 -1.000 -1.887 679 HB ILE 90 HB ILE 90 -18.307 -3.061 -0.089 680 1HG1 ILE 90 HG11 ILE 90 -19.526 -1.296 1.631 681 2HG1 ILE 90 HG12 ILE 90 -20.758 -1.477 0.388 682 1HG2 ILE 90 HG23 ILE 90 -18.293 -0.002 -0.201 683 2HG2 ILE 90 HG21 ILE 90 -17.352 -0.975 0.923 684 3HG2 ILE 90 HG22 ILE 90 -17.006 -1.040 -0.802 685 1HD1 ILE 90 HD12 ILE 90 -20.295 -4.033 0.607 686 2HD1 ILE 90 HD13 ILE 90 -19.513 -3.612 2.127 687 3HD1 ILE 90 HD11 ILE 90 -21.220 -3.252 1.885 688 OH TYR 91 OH TYR 91 -21.026 -4.472 -8.685 689 H TYR 91 HN TYR 91 -18.150 -0.729 -3.397 690 HA TYR 91 HA TYR 91 -16.922 -3.175 -4.584 691 1HB TYR 91 HB2 TYR 91 -17.633 -0.422 -5.588 692 2HB TYR 91 HB1 TYR 91 -16.319 -1.280 -6.387 693 HD1 TYR 91 HD1 TYR 91 -19.893 -1.593 -5.385 694 HD2 TYR 91 HD2 TYR 91 -16.797 -3.060 -7.903 695 HE1 TYR 91 HE1 TYR 91 -21.536 -2.914 -6.634 696 HE2 TYR 91 HE2 TYR 91 -18.440 -4.379 -9.158 697 HH TYR 91 HH TYR 91 -21.778 -4.634 -8.108 698 H PHE 92 HN PHE 92 -14.736 -3.346 -4.924 699 HA PHE 92 HA PHE 92 -12.984 -1.200 -3.820 700 1HB PHE 92 HB2 PHE 92 -12.858 -4.179 -3.141 701 2HB PHE 92 HB1 PHE 92 -11.620 -3.015 -2.691 702 HD1 PHE 92 HD1 PHE 92 -15.135 -4.030 -2.131 703 HD2 PHE 92 HD2 PHE 92 -11.979 -1.466 -0.863 704 HE1 PHE 92 HE1 PHE 92 -16.375 -3.514 -0.078 705 HE2 PHE 92 HE2 PHE 92 -13.228 -0.948 1.189 706 HZ PHE 92 HZ PHE 92 -15.428 -1.968 1.580 707 H CYS 93 HN CYS 93 -10.658 -1.688 -4.327 708 HA CYS 93 HA CYS 93 -10.118 -3.431 -6.610 709 1HB CYS 93 HB2 CYS 93 -9.723 -1.781 -8.240 710 2HB CYS 93 HB1 CYS 93 -11.168 -1.197 -7.465 711 H SER 94 HN SER 94 -8.005 -4.021 -6.603 712 HA SER 94 HA SER 94 -6.083 -2.297 -5.113 713 1HB SER 94 HB2 SER 94 -5.329 -4.217 -3.745 714 2HB SER 94 HB1 SER 94 -7.087 -4.068 -3.557 715 HG SER 94 HG SER 94 -6.907 -5.444 -5.676 716 H GLN 95 HN GLN 95 -3.833 -3.284 -5.226 717 HA GLN 95 HA GLN 95 -3.403 -4.579 -7.881 718 1HB GLN 95 HB2 GLN 95 -1.398 -3.058 -8.141 719 2HB GLN 95 HB1 GLN 95 -2.914 -2.170 -8.099 720 1HG GLN 95 HG1 GLN 95 -1.651 -0.928 -6.579 721 2HG GLN 95 HG2 GLN 95 -2.431 -2.067 -5.489 722 1HE2 GLN 95 HE22 GLN 95 0.908 -2.597 -4.349 723 2HE2 GLN 95 HE21 GLN 95 -0.543 -1.778 -4.026 724 H THR 96 HN THR 96 -1.381 -5.706 -8.072 725 HA THR 96 HA THR 96 -0.201 -6.475 -5.430 726 HB THR 96 HB THR 96 -0.029 -8.836 -6.380 727 HG1 THR 96 HG1 THR 96 -1.704 -8.634 -8.358 728 1HG2 THR 96 HG23 THR 96 -2.261 -7.874 -5.257 729 2HG2 THR 96 HG21 THR 96 -2.873 -7.876 -6.907 730 3HG2 THR 96 HG22 THR 96 -2.362 -9.384 -6.156 731 H THR 97 HN THR 97 0.454 -4.814 -8.019 732 HA THR 97 HA THR 97 2.861 -5.993 -9.085 733 HB THR 97 HB THR 97 2.413 -2.982 -9.036 734 HG1 THR 97 HG1 THR 97 0.933 -3.817 -10.915 735 1HG2 THR 97 HG21 THR 97 2.913 -5.014 -11.283 736 2HG2 THR 97 HG22 THR 97 2.949 -3.261 -11.453 737 3HG2 THR 97 HG23 THR 97 4.193 -4.082 -10.512 738 H HIS 98 HN HIS 98 2.157 -3.871 -6.395 739 HA HIS 98 HA HIS 98 5.077 -3.805 -5.739 740 1HB HIS 98 HB2 HIS 98 2.824 -1.835 -5.434 741 2HB HIS 98 HB1 HIS 98 4.040 -1.855 -4.160 742 HD2 HIS 98 HD2 HIS 98 3.843 -1.248 -8.057 743 HE1 HIS 98 HE1 HIS 98 7.408 0.296 -6.643 744 H VAL 99 HN VAL 99 5.686 -4.961 -4.052 745 HA VAL 99 HA VAL 99 3.600 -5.869 -2.122 746 HB VAL 99 HB VAL 99 6.420 -6.904 -2.703 747 1HG1 VAL 99 HG13 VAL 99 5.592 -7.260 -0.332 748 2HG1 VAL 99 HG11 VAL 99 4.252 -8.184 -1.005 749 3HG1 VAL 99 HG12 VAL 99 5.906 -8.746 -1.220 750 1HG2 VAL 99 HG22 VAL 99 4.698 -7.285 -4.500 751 2HG2 VAL 99 HG23 VAL 99 5.294 -8.778 -3.781 752 3HG2 VAL 99 HG21 VAL 99 3.716 -8.147 -3.319 753 HA PRO 100 HA PRO 100 3.349 -6.601 -0.182 754 1HB PRO 100 HB2 PRO 100 2.103 -5.058 1.885 755 2HB PRO 100 HB1 PRO 100 3.090 -6.502 2.106 756 1HG PRO 100 HG1 PRO 100 3.770 -3.752 2.747 757 2HG PRO 100 HG2 PRO 100 4.718 -5.208 3.056 758 1HD PRO 100 HD1 PRO 100 5.164 -3.185 1.029 759 2HD PRO 100 HD2 PRO 100 6.151 -4.615 1.380 760 HA PRO 101 HA PRO 101 0.197 -4.611 -2.475 761 1HB PRO 101 HB2 PRO 101 -2.010 -5.780 -0.992 762 2HB PRO 101 HB1 PRO 101 -1.370 -6.295 -2.551 763 1HG PRO 101 HG1 PRO 101 -1.070 -7.613 0.002 764 2HG PRO 101 HG2 PRO 101 -0.434 -8.132 -1.559 765 1HD PRO 101 HD1 PRO 101 1.036 -7.033 0.668 766 2HD PRO 101 HD2 PRO 101 1.672 -7.538 -0.909 767 H THR 102 HN THR 102 -1.019 -2.742 -2.372 768 HA THR 102 HA THR 102 -1.154 -1.448 0.288 769 HB THR 102 HB THR 102 -1.954 0.551 -1.277 770 HG1 THR 102 HG1 THR 102 -2.385 -0.429 -3.139 771 1HG2 THR 102 HG23 THR 102 0.765 -0.811 -1.250 772 2HG2 THR 102 HG21 THR 102 0.510 0.522 -2.369 773 3HG2 THR 102 HG22 THR 102 0.342 0.783 -0.638 774 H PHE 103 HN PHE 103 -3.323 -2.747 -2.129 775 HA PHE 103 HA PHE 103 -5.664 -2.957 -2.150 776 1HB PHE 103 HB2 PHE 103 -5.139 -2.756 0.861 777 2HB PHE 103 HB1 PHE 103 -6.680 -3.248 0.168 778 HD1 PHE 103 HD2 PHE 103 -6.380 -5.163 -1.746 779 HD2 PHE 103 HD1 PHE 103 -3.709 -4.488 1.503 780 HE1 PHE 103 HE2 PHE 103 -5.582 -7.477 -1.920 781 HE2 PHE 103 HE1 PHE 103 -2.920 -6.806 1.331 782 HZ PHE 103 HZ PHE 103 -3.856 -8.305 -0.378 783 H GLY 104 HN GLY 104 -7.583 -1.844 -0.374 784 1HA GLY 104 HA1 GLY 104 -8.048 0.493 0.486 785 2HA GLY 104 HA2 GLY 104 -7.223 1.073 -0.956 786 H GLY 105 HN GLY 105 -9.435 2.206 -0.938 787 1HA GLY 105 HA1 GLY 105 -11.197 2.488 -2.542 788 2HA GLY 105 HA2 GLY 105 -11.157 0.761 -2.870 789 H GLY 106 HN GLY 106 -13.534 2.149 -2.430 790 1HA GLY 106 HA1 GLY 106 -14.911 0.522 -0.612 791 2HA GLY 106 HA2 GLY 106 -14.428 1.942 0.311 792 H THR 107 HN THR 107 -15.681 1.358 -2.974 793 HA THR 107 HA THR 107 -17.271 3.810 -2.846 794 HB THR 107 HB THR 107 -17.194 1.521 -4.911 795 HG1 THR 107 HG1 THR 107 -16.217 4.160 -5.099 796 1HG2 THR 107 HG22 THR 107 -18.675 4.154 -4.713 797 2HG2 THR 107 HG23 THR 107 -17.967 3.747 -6.272 798 3HG2 THR 107 HG21 THR 107 -19.167 2.684 -5.547 799 H LYS 108 HN LYS 108 -19.046 3.815 -1.607 800 HA LYS 108 HA LYS 108 -20.576 1.376 -1.103 801 1HB LYS 108 HB2 LYS 108 -20.604 4.229 -0.171 802 2HB LYS 108 HB1 LYS 108 -22.133 3.365 -0.074 803 1HG LYS 108 HG1 LYS 108 -20.752 1.472 1.060 804 2HG LYS 108 HG2 LYS 108 -19.513 2.703 1.279 805 1HD LYS 108 HD1 LYS 108 -21.254 4.158 2.388 806 2HD LYS 108 HD2 LYS 108 -22.376 2.807 2.295 807 1HE LYS 108 HE1 LYS 108 -19.675 2.313 3.501 808 2HE LYS 108 HE2 LYS 108 -20.857 3.197 4.459 809 1HZ LYS 108 HZ1 LYS 108 -21.302 1.036 5.022 810 2HZ LYS 108 HZ2 LYS 108 -22.415 1.271 3.757 811 H LEU 109 HN LEU 109 -21.599 0.673 -2.913 812 HA LEU 109 HA LEU 109 -23.118 2.589 -4.568 813 1HB LEU 109 HB2 LEU 109 -21.745 0.421 -5.315 814 2HB LEU 109 HB1 LEU 109 -23.236 -0.417 -4.906 815 HG LEU 109 HG LEU 109 -24.190 1.715 -6.373 816 1HD1 LEU 109 HD11 LEU 109 -21.851 2.382 -6.934 817 2HD1 LEU 109 HD12 LEU 109 -21.586 0.795 -7.647 818 3HD1 LEU 109 HD13 LEU 109 -22.755 1.898 -8.365 819 1HD2 LEU 109 HD22 LEU 109 -23.295 -1.019 -7.358 820 2HD2 LEU 109 HD23 LEU 109 -24.861 -0.630 -6.653 821 3HD2 LEU 109 HD21 LEU 109 -24.410 0.040 -8.216 822 H GLU 110 HN GLU 110 -24.617 3.242 -3.002 823 HA GLU 110 HA GLU 110 -26.626 1.165 -2.263 824 1HB GLU 110 HB2 GLU 110 -27.296 2.746 -0.467 825 2HB GLU 110 HB1 GLU 110 -25.572 2.420 -0.369 826 1HG GLU 110 HG1 GLU 110 -25.939 4.637 -2.152 827 2HG GLU 110 HG2 GLU 110 -26.878 4.956 -0.700 828 H ILE 111 HN ILE 111 -28.768 1.515 -2.619 829 HA ILE 111 HA ILE 111 -29.398 3.280 -4.861 830 HB ILE 111 HB ILE 111 -30.281 0.934 -4.624 831 1HG1 ILE 111 HG11 ILE 111 -32.531 2.965 -4.564 832 2HG1 ILE 111 HG12 ILE 111 -31.476 2.745 -5.956 833 1HG2 ILE 111 HG22 ILE 111 -30.635 1.479 -2.053 834 2HG2 ILE 111 HG23 ILE 111 -32.207 2.057 -2.586 835 3HG2 ILE 111 HG21 ILE 111 -31.748 0.378 -2.856 836 1HD1 ILE 111 HD11 ILE 111 -32.083 0.239 -5.808 837 2HD1 ILE 111 HD12 ILE 111 -33.375 0.737 -4.718 838 3HD1 ILE 111 HD13 ILE 111 -33.349 1.325 -6.377 839 H LYS 112 HN LYS 112 -31.052 4.875 -4.846 840 HA LYS 112 HA LYS 112 -30.980 6.659 -2.642 841 1HB LYS 112 HB2 LYS 112 -32.682 6.332 -5.099 842 2HB LYS 112 HB1 LYS 112 -33.310 7.385 -3.836 843 1HG LYS 112 HG1 LYS 112 -31.272 8.727 -3.873 844 2HG LYS 112 HG2 LYS 112 -30.524 7.624 -5.023 845 1HD LYS 112 HD1 LYS 112 -33.080 8.434 -6.069 846 2HD LYS 112 HD2 LYS 112 -32.200 9.876 -5.581 847 1HE LYS 112 HE1 LYS 112 -31.002 7.679 -7.299 848 2HE LYS 112 HE2 LYS 112 -31.734 9.140 -7.953 849 1HZ LYS 112 HZ1 LYS 112 -30.020 10.415 -7.289 850 2HZ LYS 112 HZ2 LYS 112 -29.725 9.508 -5.882 851 NH1 ARG 113 NH2 ARG 113 -36.027 1.519 4.250 852 NH2 ARG 113 NH1 ARG 113 -34.059 0.466 4.684 853 H ARG 113 HN ARG 113 -32.058 6.765 -0.779 854 HA ARG 113 HA ARG 113 -34.678 5.482 -0.455 855 1HB ARG 113 HB2 ARG 113 -33.094 3.603 -0.050 856 2HB ARG 113 HB1 ARG 113 -32.221 4.578 1.126 857 1HG ARG 113 HG1 ARG 113 -34.176 4.669 2.581 858 2HG ARG 113 HG2 ARG 113 -35.160 3.851 1.373 859 1HD ARG 113 HD1 ARG 113 -34.218 1.784 1.809 860 2HD ARG 113 HD2 ARG 113 -32.650 2.473 2.233 861 HE ARG 113 HE ARG 113 -33.830 3.248 4.393 862 1HH1 ARG 113 HH21 ARG 113 -36.506 2.326 3.906 863 2HH1 ARG 113 HH22 ARG 113 -36.546 0.739 4.597 864 1HH2 ARG 113 HH11 ARG 113 -33.060 0.481 4.666 865 2HH2 ARG 113 HH12 ARG 113 -34.541 -0.334 5.038 Start of MODEL 6 Raw file had 865 H/Q atoms Start of MODEL 6 1 1H ASP 1 HT2 ASP 1 1.244 3.006 -0.040 2 2H ASP 1 HT3 ASP 1 1.345 1.344 0.296 3 3H ASP 1 HT1 ASP 1 2.634 2.371 0.703 4 HA ASP 1 HA ASP 1 3.342 2.612 -1.450 5 1HB ASP 1 HB2 ASP 1 2.172 -0.056 -2.049 6 2HB ASP 1 HB1 ASP 1 3.867 0.420 -1.972 7 H VAL 2 HN VAL 2 2.823 1.739 -3.798 8 HA VAL 2 HA VAL 2 0.671 3.405 -4.640 9 HB VAL 2 HB VAL 2 2.216 1.243 -6.145 10 1HG1 VAL 2 HG11 VAL 2 0.182 3.283 -7.002 11 2HG1 VAL 2 HG12 VAL 2 1.509 2.902 -8.095 12 3HG1 VAL 2 HG13 VAL 2 0.406 1.631 -7.571 13 1HG2 VAL 2 HG23 VAL 2 2.577 4.254 -5.977 14 2HG2 VAL 2 HG21 VAL 2 3.625 3.051 -5.229 15 3HG2 VAL 2 HG22 VAL 2 3.528 3.166 -6.983 16 H VAL 3 HN VAL 3 -1.330 2.889 -5.507 17 HA VAL 3 HA VAL 3 -2.379 0.224 -4.684 18 HB VAL 3 HB VAL 3 -4.017 2.624 -5.589 19 1HG1 VAL 3 HG12 VAL 3 -4.540 0.284 -3.726 20 2HG1 VAL 3 HG13 VAL 3 -5.688 1.577 -4.059 21 3HG1 VAL 3 HG11 VAL 3 -5.195 0.484 -5.349 22 1HG2 VAL 3 HG23 VAL 3 -2.782 2.078 -2.874 23 2HG2 VAL 3 HG21 VAL 3 -2.651 3.545 -3.841 24 3HG2 VAL 3 HG22 VAL 3 -4.183 3.125 -3.080 25 H MET 4 HN MET 4 -3.599 -1.045 -6.105 26 HA MET 4 HA MET 4 -3.673 -0.185 -8.955 27 1HB MET 4 HB2 MET 4 -2.182 -2.488 -7.750 28 2HB MET 4 HB1 MET 4 -3.038 -2.826 -9.250 29 1HG MET 4 HG1 MET 4 -1.954 -0.701 -10.168 30 2HG MET 4 HG2 MET 4 -0.933 -0.719 -8.754 31 1HE MET 4 HE2 MET 4 -0.982 -1.132 -12.227 32 2HE MET 4 HE3 MET 4 0.381 -0.377 -11.402 33 3HE MET 4 HE1 MET 4 0.642 -1.789 -12.427 34 H THR 5 HN THR 5 -5.793 -0.169 -9.338 35 HA THR 5 HA THR 5 -7.502 -2.344 -8.238 36 HB THR 5 HB THR 5 -8.209 0.305 -9.637 37 HG1 THR 5 HG1 THR 5 -8.900 -0.316 -7.032 38 1HG2 THR 5 HG23 THR 5 -9.928 -1.772 -8.156 39 2HG2 THR 5 HG21 THR 5 -10.507 -0.200 -8.702 40 3HG2 THR 5 HG22 THR 5 -10.041 -1.425 -9.878 41 H GLN 6 HN GLN 6 -7.148 -4.074 -9.596 42 HA GLN 6 HA GLN 6 -7.141 -3.756 -12.498 43 1HB GLN 6 HB2 GLN 6 -5.871 -5.554 -11.233 44 2HB GLN 6 HB1 GLN 6 -7.414 -6.291 -10.821 45 1HG GLN 6 HG1 GLN 6 -7.096 -7.473 -12.757 46 2HG GLN 6 HG2 GLN 6 -7.686 -6.009 -13.535 47 1HE2 GLN 6 HE22 GLN 6 -4.047 -7.196 -14.454 48 2HE2 GLN 6 HE21 GLN 6 -5.293 -8.189 -13.874 49 H THR 7 HN THR 7 -8.725 -4.243 -13.928 50 HA THR 7 HA THR 7 -11.248 -5.479 -13.108 51 HB THR 7 HB THR 7 -12.161 -3.041 -14.301 52 HG1 THR 7 HG1 THR 7 -10.128 -2.711 -12.338 53 1HG2 THR 7 HG21 THR 7 -12.871 -4.472 -12.082 54 2HG2 THR 7 HG22 THR 7 -11.911 -3.229 -11.289 55 3HG2 THR 7 HG23 THR 7 -13.320 -2.777 -12.244 56 HA PRO 8 HA PRO 8 -13.320 -5.202 -14.022 57 1HB PRO 8 HB2 PRO 8 -14.645 -7.279 -15.457 58 2HB PRO 8 HB1 PRO 8 -14.999 -5.555 -15.565 59 1HG PRO 8 HG1 PRO 8 -13.747 -7.254 -17.561 60 2HG PRO 8 HG2 PRO 8 -14.201 -5.557 -17.708 61 1HD PRO 8 HD1 PRO 8 -11.541 -6.681 -17.344 62 2HD PRO 8 HD2 PRO 8 -11.990 -4.985 -17.606 63 H LEU 9 HN LEU 9 -14.458 -7.200 -12.980 64 HA LEU 9 HA LEU 9 -12.336 -8.915 -11.934 65 1HB LEU 9 HB2 LEU 9 -15.155 -8.235 -11.294 66 2HB LEU 9 HB1 LEU 9 -14.766 -9.920 -10.980 67 HG LEU 9 HG LEU 9 -14.359 -8.311 -9.038 68 1HD1 LEU 9 HD11 LEU 9 -12.156 -10.049 -10.183 69 2HD1 LEU 9 HD12 LEU 9 -12.047 -9.320 -8.583 70 3HD1 LEU 9 HD13 LEU 9 -13.331 -10.471 -8.940 71 1HD2 LEU 9 HD21 LEU 9 -13.305 -6.594 -10.708 72 2HD2 LEU 9 HD22 LEU 9 -12.570 -6.779 -9.119 73 3HD2 LEU 9 HD23 LEU 9 -11.841 -7.555 -10.520 74 H SER 10 HN SER 10 -15.456 -9.616 -13.520 75 HA SER 10 HA SER 10 -14.248 -12.186 -14.472 76 1HB SER 10 HB2 SER 10 -17.156 -11.425 -13.867 77 2HB SER 10 HB1 SER 10 -16.675 -12.969 -14.598 78 HG SER 10 HG SER 10 -16.742 -13.087 -12.295 79 H LEU 11 HN LEU 11 -14.456 -12.736 -16.635 80 HA LEU 11 HA LEU 11 -15.825 -10.747 -18.393 81 1HB LEU 11 HB2 LEU 11 -13.207 -10.519 -18.109 82 2HB LEU 11 HB1 LEU 11 -13.142 -11.932 -19.153 83 HG LEU 11 HG LEU 11 -14.924 -10.397 -20.534 84 1HD1 LEU 11 HD11 LEU 11 -12.973 -8.519 -19.156 85 2HD1 LEU 11 HD12 LEU 11 -13.982 -8.075 -20.529 86 3HD1 LEU 11 HD13 LEU 11 -14.727 -8.502 -18.992 87 1HD2 LEU 11 HD21 LEU 11 -11.892 -10.227 -20.674 88 2HD2 LEU 11 HD22 LEU 11 -12.883 -11.469 -21.436 89 3HD2 LEU 11 HD23 LEU 11 -12.996 -9.797 -21.977 90 HA PRO 12 HA PRO 12 -16.809 -15.120 -19.572 91 1HB PRO 12 HB2 PRO 12 -19.563 -14.325 -19.886 92 2HB PRO 12 HB1 PRO 12 -18.895 -15.353 -18.618 93 1HG PRO 12 HG1 PRO 12 -19.837 -12.619 -18.389 94 2HG PRO 12 HG2 PRO 12 -19.244 -13.673 -17.106 95 1HD PRO 12 HD1 PRO 12 -17.894 -11.418 -18.304 96 2HD PRO 12 HD2 PRO 12 -17.297 -12.483 -17.018 97 H VAL 13 HN VAL 13 -16.300 -15.397 -21.676 98 HA VAL 13 HA VAL 13 -17.787 -13.811 -23.717 99 HB VAL 13 HB VAL 13 -15.688 -13.304 -24.913 100 1HG1 VAL 13 HG13 VAL 13 -16.464 -11.812 -23.004 101 2HG1 VAL 13 HG11 VAL 13 -15.288 -12.633 -21.984 102 3HG1 VAL 13 HG12 VAL 13 -14.746 -11.702 -23.375 103 1HG2 VAL 13 HG21 VAL 13 -14.597 -15.181 -22.843 104 2HG2 VAL 13 HG22 VAL 13 -14.187 -15.040 -24.551 105 3HG2 VAL 13 HG23 VAL 13 -13.550 -13.874 -23.394 106 H SER 14 HN SER 14 -16.933 -14.592 -25.990 107 HA SER 14 HA SER 14 -17.144 -17.570 -25.949 108 1HB SER 14 HB2 SER 14 -17.682 -16.914 -28.548 109 2HB SER 14 HB1 SER 14 -18.945 -16.830 -27.306 110 HG SER 14 HG SER 14 -18.891 -14.817 -28.173 111 H LEU 15 HN LEU 15 -15.865 -18.753 -27.526 112 HA LEU 15 HA LEU 15 -13.154 -17.730 -27.656 113 1HB LEU 15 HB2 LEU 15 -14.474 -20.219 -28.821 114 2HB LEU 15 HB1 LEU 15 -12.751 -19.884 -28.942 115 HG LEU 15 HG LEU 15 -14.151 -19.846 -26.264 116 1HD1 LEU 15 HD11 LEU 15 -12.873 -22.235 -27.640 117 2HD1 LEU 15 HD12 LEU 15 -13.427 -22.196 -25.969 118 3HD1 LEU 15 HD13 LEU 15 -14.589 -22.053 -27.283 119 1HD2 LEU 15 HD23 LEU 15 -11.326 -19.998 -27.296 120 2HD2 LEU 15 HD21 LEU 15 -11.997 -18.933 -26.064 121 3HD2 LEU 15 HD22 LEU 15 -11.709 -20.631 -25.699 122 H GLY 16 HN GLY 16 -13.322 -15.885 -28.872 123 1HA GLY 16 HA1 GLY 16 -12.461 -15.608 -31.359 124 2HA GLY 16 HA2 GLY 16 -14.091 -16.163 -31.735 125 H ASP 17 HN ASP 17 -12.980 -13.993 -29.163 126 HA ASP 17 HA ASP 17 -14.461 -11.764 -30.479 127 1HB ASP 17 HB2 ASP 17 -15.249 -13.217 -28.107 128 2HB ASP 17 HB1 ASP 17 -14.809 -11.581 -27.624 129 H GLN 18 HN GLN 18 -14.120 -9.708 -28.981 130 HA GLN 18 HA GLN 18 -11.171 -9.462 -28.721 131 1HB GLN 18 HB2 GLN 18 -13.458 -7.624 -29.295 132 2HB GLN 18 HB1 GLN 18 -12.157 -6.925 -28.336 133 1HG GLN 18 HG1 GLN 18 -10.513 -7.487 -30.033 134 2HG GLN 18 HG2 GLN 18 -11.696 -8.424 -30.937 135 1HE2 GLN 18 HE22 GLN 18 -12.825 -4.520 -30.937 136 2HE2 GLN 18 HE21 GLN 18 -12.746 -5.404 -29.490 137 H ALA 19 HN ALA 19 -10.183 -8.656 -26.864 138 HA ALA 19 HA ALA 19 -11.921 -8.613 -24.423 139 1HB ALA 19 HB3 ALA 19 -9.849 -10.446 -25.091 140 2HB ALA 19 HB1 ALA 19 -9.160 -9.386 -23.865 141 3HB ALA 19 HB2 ALA 19 -10.638 -10.283 -23.527 142 H SER 20 HN SER 20 -11.125 -7.339 -22.650 143 HA SER 20 HA SER 20 -8.928 -5.452 -23.208 144 1HB SER 20 HB2 SER 20 -10.720 -3.574 -22.447 145 2HB SER 20 HB1 SER 20 -10.611 -4.061 -24.149 146 HG SER 20 HG SER 20 -12.559 -4.815 -23.934 147 H ILE 21 HN ILE 21 -8.042 -6.591 -21.411 148 HA ILE 21 HA ILE 21 -9.360 -6.439 -18.798 149 HB ILE 21 HB ILE 21 -6.421 -7.014 -19.236 150 1HG1 ILE 21 HG11 ILE 21 -8.699 -8.954 -19.779 151 2HG1 ILE 21 HG12 ILE 21 -7.671 -8.235 -21.012 152 1HG2 ILE 21 HG22 ILE 21 -7.801 -7.006 -16.965 153 2HG2 ILE 21 HG23 ILE 21 -8.389 -8.566 -17.533 154 3HG2 ILE 21 HG21 ILE 21 -6.666 -8.320 -17.266 155 1HD1 ILE 21 HD12 ILE 21 -5.774 -9.231 -19.334 156 2HD1 ILE 21 HD13 ILE 21 -7.068 -10.399 -19.081 157 3HD1 ILE 21 HD11 ILE 21 -6.428 -10.132 -20.700 158 H SER 22 HN SER 22 -9.373 -4.656 -17.636 159 HA SER 22 HA SER 22 -7.457 -2.493 -18.184 160 1HB SER 22 HB2 SER 22 -10.004 -2.193 -17.726 161 2HB SER 22 HB1 SER 22 -9.602 -2.459 -16.017 162 HG SER 22 HG SER 22 -8.362 -0.582 -17.767 163 H CYS 23 HN CYS 23 -6.362 -1.358 -16.548 164 HA CYS 23 HA CYS 23 -5.812 -2.602 -13.948 165 1HB CYS 23 HB2 CYS 23 -4.294 -3.890 -15.391 166 2HB CYS 23 HB1 CYS 23 -3.752 -2.441 -16.187 167 NH1 ARG 24 NH1 ARG 24 -11.346 1.926 -12.688 168 NH2 ARG 24 NH2 ARG 24 -10.468 0.025 -11.804 169 H ARG 24 HN ARG 24 -6.356 -0.654 -12.998 170 HA ARG 24 HA ARG 24 -4.873 1.764 -13.915 171 1HB ARG 24 HB2 ARG 24 -7.384 1.347 -12.251 172 2HB ARG 24 HB1 ARG 24 -6.613 2.924 -12.400 173 1HG ARG 24 HG1 ARG 24 -7.053 3.066 -14.703 174 2HG ARG 24 HG2 ARG 24 -7.242 1.325 -14.876 175 1HD ARG 24 HD1 ARG 24 -9.149 3.078 -13.291 176 2HD ARG 24 HD2 ARG 24 -9.421 2.593 -14.965 177 HE ARG 24 HE ARG 24 -9.159 0.168 -13.936 178 1HH1 ARG 24 HH11 ARG 24 -11.302 2.648 -13.377 179 2HH1 ARG 24 HH12 ARG 24 -12.077 1.927 -12.009 180 1HH2 ARG 24 HH21 ARG 24 -9.762 -0.683 -11.830 181 2HH2 ARG 24 HH22 ARG 24 -11.189 -0.012 -11.114 182 H SER 25 HN SER 25 -3.892 3.168 -12.453 183 HA SER 25 HA SER 25 -3.225 1.995 -9.783 184 1HB SER 25 HB2 SER 25 -1.321 3.468 -11.694 185 2HB SER 25 HB1 SER 25 -0.883 2.816 -10.103 186 HG SER 25 HG SER 25 -2.054 1.300 -12.199 187 H SER 26 HN SER 26 -2.994 3.483 -8.099 188 HA SER 26 HA SER 26 -4.527 5.890 -8.312 189 1HB SER 26 HB2 SER 26 -4.187 4.773 -6.123 190 2HB SER 26 HB1 SER 26 -2.441 5.072 -6.218 191 HG SER 26 HG SER 26 -4.166 7.230 -6.633 192 H GLN 27 HN GLN 27 -1.008 5.452 -8.026 193 HA GLN 27 HA GLN 27 -0.690 8.251 -9.008 194 1HB GLN 27 HB2 GLN 27 0.270 7.574 -6.727 195 2HB GLN 27 HB1 GLN 27 1.370 6.503 -7.589 196 1HG GLN 27 HG1 GLN 27 1.766 8.788 -8.997 197 2HG GLN 27 HG2 GLN 27 1.351 9.477 -7.433 198 1HE2 GLN 27 HE22 GLN 27 4.803 7.285 -7.818 199 2HE2 GLN 27 HE21 GLN 27 3.574 7.122 -8.978 200 H SER 28 HN SER 28 0.683 8.686 -10.692 201 HA SER 28 HA SER 28 0.936 6.775 -12.760 202 1HB SER 28 HB2 SER 28 2.721 9.225 -12.313 203 2HB SER 28 HB1 SER 28 2.321 8.474 -13.871 204 HG SER 28 HG SER 28 0.978 10.359 -12.824 205 H LEU 29 HN LEU 29 2.532 5.390 -13.389 206 HA LEU 29 HA LEU 29 4.625 4.832 -11.363 207 1HB LEU 29 HB2 LEU 29 4.062 3.260 -13.909 208 2HB LEU 29 HB1 LEU 29 4.859 2.688 -12.454 209 HG LEU 29 HG LEU 29 2.017 3.687 -12.316 210 1HD1 LEU 29 HD12 LEU 29 2.106 1.982 -14.119 211 2HD1 LEU 29 HD13 LEU 29 2.909 0.868 -13.018 212 3HD1 LEU 29 HD11 LEU 29 1.251 1.375 -12.704 213 1HD2 LEU 29 HD23 LEU 29 3.818 1.861 -10.711 214 2HD2 LEU 29 HD21 LEU 29 2.973 3.309 -10.172 215 3HD2 LEU 29 HD22 LEU 29 2.069 1.834 -10.501 216 H VAL 30 HN VAL 30 4.953 7.180 -12.865 217 HA VAL 30 HA VAL 30 6.968 6.576 -14.932 218 HB VAL 30 HB VAL 30 6.087 9.265 -13.783 219 1HG1 VAL 30 HG11 VAL 30 7.738 8.377 -16.142 220 2HG1 VAL 30 HG12 VAL 30 6.824 9.879 -16.243 221 3HG1 VAL 30 HG13 VAL 30 8.055 9.679 -14.999 222 1HG2 VAL 30 HG22 VAL 30 4.203 7.905 -14.758 223 2HG2 VAL 30 HG23 VAL 30 4.519 9.395 -15.642 224 3HG2 VAL 30 HG21 VAL 30 5.088 7.854 -16.279 225 H HIS 31 HN HIS 31 9.119 6.779 -14.696 226 HA HIS 31 HA HIS 31 10.129 7.230 -11.948 227 1HB HIS 31 HB2 HIS 31 10.801 5.243 -13.463 228 2HB HIS 31 HB1 HIS 31 11.717 6.405 -14.413 229 HD2 HIS 31 HD2 HIS 31 12.142 4.234 -11.339 230 HE1 HIS 31 HE1 HIS 31 15.050 7.162 -11.051 231 H SER 32 HN SER 32 12.025 8.570 -11.606 232 HA SER 32 HA SER 32 11.727 11.199 -12.663 233 1HB SER 32 HB2 SER 32 12.910 10.418 -10.468 234 2HB SER 32 HB1 SER 32 14.337 10.155 -11.489 235 HG SER 32 HG SER 32 13.927 12.330 -12.308 236 H ASN 33 HN ASN 33 13.475 8.488 -13.921 237 HA ASN 33 HA ASN 33 15.193 10.195 -15.599 238 1HB ASN 33 HB2 ASN 33 16.198 8.119 -16.339 239 2HB ASN 33 HB1 ASN 33 15.876 7.910 -14.622 240 1HD2 ASN 33 HD22 ASN 33 14.592 4.945 -16.561 241 2HD2 ASN 33 HD21 ASN 33 16.099 5.721 -16.500 242 H GLY 34 HN GLY 34 12.039 9.155 -15.758 243 1HA GLY 34 HA1 GLY 34 10.544 9.743 -17.550 244 2HA GLY 34 HA2 GLY 34 11.923 9.833 -18.640 245 H ASN 35 HN ASN 35 11.442 7.099 -16.518 246 HA ASN 35 HA ASN 35 10.778 5.466 -18.939 247 1HB ASN 35 HB2 ASN 35 12.457 4.884 -16.471 248 2HB ASN 35 HB1 ASN 35 11.838 3.579 -17.476 249 1HD2 ASN 35 HD22 ASN 35 14.702 3.929 -19.482 250 2HD2 ASN 35 HD21 ASN 35 13.753 2.912 -18.509 251 H THR 36 HN THR 36 9.064 4.156 -18.889 252 HA THR 36 HA THR 36 7.400 4.178 -16.414 253 HB THR 36 HB THR 36 6.484 3.186 -19.163 254 HG1 THR 36 HG1 THR 36 7.015 5.150 -19.770 255 1HG2 THR 36 HG23 THR 36 5.055 3.189 -16.917 256 2HG2 THR 36 HG21 THR 36 5.026 4.936 -17.134 257 3HG2 THR 36 HG22 THR 36 4.317 3.885 -18.357 258 OH TYR 37 OH TYR 37 13.723 2.318 -15.819 259 H TYR 37 HN TYR 37 7.201 2.342 -15.247 260 HA TYR 37 HA TYR 37 8.097 -0.194 -16.566 261 1HB TYR 37 HB2 TYR 37 8.250 0.639 -13.635 262 2HB TYR 37 HB1 TYR 37 8.767 -0.919 -14.261 263 HD1 TYR 37 HD1 TYR 37 10.629 -0.980 -15.987 264 HD2 TYR 37 HD2 TYR 37 9.677 2.538 -13.794 265 HE1 TYR 37 HE1 TYR 37 12.816 -0.032 -16.562 266 HE2 TYR 37 HE2 TYR 37 11.868 3.486 -14.370 267 HH TYR 37 HH TYR 37 14.366 1.962 -15.200 268 H LEU 38 HN LEU 38 6.417 -1.382 -17.066 269 HA LEU 38 HA LEU 38 4.504 -2.176 -14.967 270 1HB LEU 38 HB2 LEU 38 3.557 -0.135 -16.248 271 2HB LEU 38 HB1 LEU 38 3.499 -1.173 -17.668 272 HG LEU 38 HG LEU 38 2.336 -2.683 -15.572 273 1HD1 LEU 38 HD11 LEU 38 1.518 0.230 -15.563 274 2HD1 LEU 38 HD12 LEU 38 0.422 -1.041 -15.028 275 3HD1 LEU 38 HD13 LEU 38 1.950 -0.785 -14.189 276 1HD2 LEU 38 HD21 LEU 38 1.117 -1.124 -17.876 277 2HD2 LEU 38 HD22 LEU 38 1.674 -2.794 -17.919 278 3HD2 LEU 38 HD23 LEU 38 0.267 -2.360 -16.952 279 H ASN 39 HN ASN 39 3.577 -4.219 -15.380 280 HA ASN 39 HA ASN 39 4.351 -5.510 -17.951 281 1HB ASN 39 HB2 ASN 39 4.926 -6.611 -15.162 282 2HB ASN 39 HB1 ASN 39 5.183 -7.503 -16.658 283 1HD2 ASN 39 HD22 ASN 39 8.281 -5.984 -17.291 284 2HD2 ASN 39 HD21 ASN 39 7.164 -7.199 -17.690 285 CH2 TRP 40 CH2 TRP 40 -3.884 -5.519 -17.784 286 H TRP 40 HN TRP 40 3.325 -7.566 -18.319 287 HA TRP 40 HA TRP 40 0.743 -7.900 -16.848 288 1HB TRP 40 HB2 TRP 40 1.316 -7.843 -19.837 289 2HB TRP 40 HB1 TRP 40 -0.119 -8.639 -19.206 290 HD1 TRP 40 HD1 TRP 40 1.413 -5.152 -19.710 291 HE1 TRP 40 HE1 TRP 40 -0.455 -3.510 -19.264 292 HE3 TRP 40 HE3 TRP 40 -2.003 -8.308 -17.996 293 HZ2 TRP 40 HZ2 TRP 40 -3.238 -3.554 -18.314 294 HZ3 TRP 40 HZ3 TRP 40 -4.257 -7.574 -17.333 295 HH2 TRP 40 HH2 TRP 40 -4.875 -5.199 -17.503 296 OH TYR 41 OH TYR 41 5.582 -8.440 -14.033 297 H TYR 41 HN TYR 41 -0.030 -10.031 -16.729 298 HA TYR 41 HA TYR 41 1.708 -12.171 -17.833 299 1HB TYR 41 HB2 TYR 41 0.862 -12.235 -14.912 300 2HB TYR 41 HB1 TYR 41 2.108 -13.195 -15.701 301 HD1 TYR 41 HD1 TYR 41 4.300 -12.175 -16.254 302 HD2 TYR 41 HD2 TYR 41 1.319 -9.965 -14.174 303 HE1 TYR 41 HE1 TYR 41 5.999 -10.557 -15.535 304 HE2 TYR 41 HE2 TYR 41 3.018 -8.347 -13.458 305 HH TYR 41 HH TYR 41 6.446 -8.816 -14.218 306 H LEU 42 HN LEU 42 0.755 -14.273 -17.751 307 HA LEU 42 HA LEU 42 -2.167 -14.340 -17.175 308 1HB LEU 42 HB2 LEU 42 -2.020 -13.942 -19.598 309 2HB LEU 42 HB1 LEU 42 -0.794 -15.190 -19.776 310 HG LEU 42 HG LEU 42 -2.414 -16.914 -19.086 311 1HD1 LEU 42 HD11 LEU 42 -4.060 -14.475 -18.509 312 2HD1 LEU 42 HD12 LEU 42 -4.898 -15.930 -19.039 313 3HD1 LEU 42 HD13 LEU 42 -3.912 -15.965 -17.581 314 1HD2 LEU 42 HD21 LEU 42 -3.057 -15.048 -21.343 315 2HD2 LEU 42 HD22 LEU 42 -2.542 -16.730 -21.401 316 3HD2 LEU 42 HD23 LEU 42 -4.204 -16.332 -20.974 317 H GLN 43 HN GLN 43 -2.475 -15.972 -15.807 318 HA GLN 43 HA GLN 43 -0.775 -18.408 -16.163 319 1HB GLN 43 HB2 GLN 43 -0.538 -16.751 -14.043 320 2HB GLN 43 HB1 GLN 43 -1.891 -17.714 -13.459 321 1HG GLN 43 HG1 GLN 43 -0.568 -19.788 -13.901 322 2HG GLN 43 HG2 GLN 43 0.794 -18.789 -14.399 323 1HE2 GLN 43 HE22 GLN 43 -0.052 -19.250 -10.448 324 2HE2 GLN 43 HE21 GLN 43 -1.066 -19.909 -11.639 325 H LYS 44 HN LYS 44 -1.688 -20.391 -15.627 326 HA LYS 44 HA LYS 44 -4.675 -20.392 -15.693 327 1HB LYS 44 HB2 LYS 44 -3.032 -21.495 -17.534 328 2HB LYS 44 HB1 LYS 44 -3.036 -22.830 -16.388 329 1HG LYS 44 HG1 LYS 44 -4.887 -23.346 -17.743 330 2HG LYS 44 HG2 LYS 44 -5.645 -22.489 -16.403 331 1HD LYS 44 HD1 LYS 44 -6.245 -20.732 -17.721 332 2HD LYS 44 HD2 LYS 44 -4.683 -20.692 -18.530 333 1HE LYS 44 HE1 LYS 44 -6.770 -22.813 -19.107 334 2HE LYS 44 HE2 LYS 44 -6.672 -21.306 -20.011 335 1HZ LYS 44 HZ1 LYS 44 -4.895 -22.004 -21.127 336 2HZ LYS 44 HZ2 LYS 44 -4.151 -22.664 -19.746 337 H ALA 45 HN ALA 45 -4.246 -23.421 -15.190 338 HA ALA 45 HA ALA 45 -4.729 -23.270 -12.332 339 1HB ALA 45 HB1 ALA 45 -4.273 -25.656 -14.187 340 2HB ALA 45 HB2 ALA 45 -4.877 -25.771 -12.537 341 3HB ALA 45 HB3 ALA 45 -5.837 -24.963 -13.773 342 H GLY 46 HN GLY 46 -2.250 -25.082 -14.165 343 1HA GLY 46 HA1 GLY 46 -0.259 -24.357 -12.083 344 2HA GLY 46 HA2 GLY 46 -0.574 -26.071 -12.330 345 H GLN 47 HN GLN 47 -0.562 -23.628 -14.851 346 HA GLN 47 HA GLN 47 1.502 -25.175 -16.285 347 1HB GLN 47 HB2 GLN 47 -0.594 -24.253 -17.405 348 2HB GLN 47 HB1 GLN 47 0.032 -22.632 -17.127 349 1HG GLN 47 HG1 GLN 47 1.886 -22.979 -18.586 350 2HG GLN 47 HG2 GLN 47 1.667 -24.727 -18.581 351 1HE2 GLN 47 HE22 GLN 47 -1.058 -22.512 -20.728 352 2HE2 GLN 47 HE21 GLN 47 -0.432 -21.874 -19.284 353 H SER 48 HN SER 48 3.204 -23.893 -17.455 354 HA SER 48 HA SER 48 4.855 -22.534 -15.548 355 1HB SER 48 HB2 SER 48 4.986 -23.329 -18.407 356 2HB SER 48 HB1 SER 48 5.894 -21.848 -18.048 357 HG SER 48 HG SER 48 6.684 -24.240 -17.516 358 HA PRO 49 HA PRO 49 3.739 -18.342 -15.723 359 1HB PRO 49 HB2 PRO 49 6.384 -17.314 -16.332 360 2HB PRO 49 HB1 PRO 49 5.588 -17.376 -14.760 361 1HG PRO 49 HG1 PRO 49 7.770 -19.022 -15.707 362 2HG PRO 49 HG2 PRO 49 6.996 -19.060 -14.123 363 1HD PRO 49 HD1 PRO 49 6.758 -20.998 -16.239 364 2HD PRO 49 HD2 PRO 49 5.941 -21.011 -14.665 365 H LYS 50 HN LYS 50 3.224 -16.689 -17.155 366 HA LYS 50 HA LYS 50 4.289 -16.928 -19.935 367 1HB LYS 50 HB2 LYS 50 1.460 -17.098 -18.945 368 2HB LYS 50 HB1 LYS 50 1.718 -16.221 -20.445 369 1HG LYS 50 HG1 LYS 50 2.800 -18.156 -21.449 370 2HG LYS 50 HG2 LYS 50 2.755 -19.025 -19.919 371 1HD LYS 50 HD1 LYS 50 0.381 -19.225 -19.976 372 2HD LYS 50 HD2 LYS 50 0.227 -18.003 -21.233 373 1HE LYS 50 HE1 LYS 50 -0.061 -20.251 -22.194 374 2HE LYS 50 HE2 LYS 50 1.406 -19.506 -22.822 375 1HZ LYS 50 HZ1 LYS 50 1.097 -21.858 -21.221 376 2HZ LYS 50 HZ2 LYS 50 2.421 -21.353 -22.159 377 H LEU 51 HN LEU 51 5.002 -15.042 -20.657 378 HA LEU 51 HA LEU 51 3.963 -12.549 -19.364 379 1HB LEU 51 HB2 LEU 51 6.326 -12.873 -18.868 380 2HB LEU 51 HB1 LEU 51 6.684 -13.266 -20.544 381 HG LEU 51 HG LEU 51 6.073 -10.954 -21.214 382 1HD1 LEU 51 HD12 LEU 51 5.158 -10.902 -18.404 383 2HD1 LEU 51 HD13 LEU 51 6.085 -9.483 -18.882 384 3HD1 LEU 51 HD11 LEU 51 4.631 -9.926 -19.772 385 1HD2 LEU 51 HD23 LEU 51 8.417 -11.642 -20.429 386 2HD2 LEU 51 HD21 LEU 51 8.066 -9.918 -20.379 387 3HD2 LEU 51 HD22 LEU 51 8.024 -10.868 -18.896 388 H LEU 52 HN LEU 52 2.767 -11.308 -20.637 389 HA LEU 52 HA LEU 52 2.965 -11.639 -23.586 390 1HB LEU 52 HB2 LEU 52 0.961 -10.159 -21.806 391 2HB LEU 52 HB1 LEU 52 0.859 -10.211 -23.559 392 HG LEU 52 HG LEU 52 -0.565 -11.964 -22.987 393 1HD1 LEU 52 HD11 LEU 52 1.331 -12.803 -24.425 394 2HD1 LEU 52 HD12 LEU 52 2.111 -13.398 -22.963 395 3HD1 LEU 52 HD13 LEU 52 0.559 -14.059 -23.463 396 1HD2 LEU 52 HD22 LEU 52 1.351 -12.667 -20.739 397 2HD2 LEU 52 HD23 LEU 52 -0.178 -11.813 -20.558 398 3HD2 LEU 52 HD21 LEU 52 -0.164 -13.492 -21.084 399 H ILE 53 HN ILE 53 2.327 -8.836 -21.510 400 HA ILE 53 HA ILE 53 4.244 -7.278 -23.198 401 HB ILE 53 HB ILE 53 2.007 -6.227 -21.415 402 1HG1 ILE 53 HG11 ILE 53 1.280 -7.745 -23.371 403 2HG1 ILE 53 HG12 ILE 53 0.531 -6.160 -23.234 404 1HG2 ILE 53 HG21 ILE 53 3.750 -5.032 -23.608 405 2HG2 ILE 53 HG22 ILE 53 2.313 -4.223 -22.993 406 3HG2 ILE 53 HG23 ILE 53 3.675 -4.532 -21.921 407 1HD1 ILE 53 HD13 ILE 53 2.980 -6.692 -24.923 408 2HD1 ILE 53 HD11 ILE 53 1.341 -6.754 -25.561 409 3HD1 ILE 53 HD12 ILE 53 1.980 -5.245 -24.918 410 OH TYR 54 OH TYR 54 10.410 -5.491 -25.042 411 H TYR 54 HN TYR 54 5.864 -6.108 -22.181 412 HA TYR 54 HA TYR 54 5.942 -6.331 -19.196 413 1HB TYR 54 HB2 TYR 54 8.399 -6.746 -19.388 414 2HB TYR 54 HB1 TYR 54 7.488 -7.979 -20.257 415 HD1 TYR 54 HD1 TYR 54 9.601 -4.990 -20.620 416 HD2 TYR 54 HD2 TYR 54 7.508 -8.053 -22.695 417 HE1 TYR 54 HE1 TYR 54 10.741 -4.359 -22.697 418 HE2 TYR 54 HE2 TYR 54 8.643 -7.419 -24.773 419 HH TYR 54 HH TYR 54 10.350 -6.232 -25.651 420 H LYS 55 HN LYS 55 5.613 -4.178 -21.536 421 HA LYS 55 HA LYS 55 6.678 -2.020 -19.885 422 1HB LYS 55 HB2 LYS 55 8.650 -2.883 -21.313 423 2HB LYS 55 HB1 LYS 55 7.773 -2.292 -22.716 424 1HG LYS 55 HG1 LYS 55 8.173 -0.092 -22.208 425 2HG LYS 55 HG2 LYS 55 8.005 -0.357 -20.477 426 1HD LYS 55 HD1 LYS 55 10.249 -1.432 -20.434 427 2HD LYS 55 HD2 LYS 55 10.420 -1.122 -22.158 428 1HE LYS 55 HE1 LYS 55 9.824 1.374 -21.393 429 2HE LYS 55 HE2 LYS 55 10.487 0.806 -19.866 430 1HZ LYS 55 HZ1 LYS 55 12.149 0.003 -22.010 431 2HZ LYS 55 HZ2 LYS 55 11.887 1.682 -22.078 432 H VAL 56 HN VAL 56 4.196 -2.163 -20.230 433 HA VAL 56 HA VAL 56 2.330 -0.937 -20.897 434 HB VAL 56 HB VAL 56 4.233 0.630 -22.700 435 1HG1 VAL 56 HG11 VAL 56 1.490 1.141 -21.518 436 2HG1 VAL 56 HG12 VAL 56 2.493 2.438 -22.160 437 3HG1 VAL 56 HG13 VAL 56 1.951 1.138 -23.218 438 1HG2 VAL 56 HG22 VAL 56 3.693 0.771 -19.737 439 2HG2 VAL 56 HG23 VAL 56 5.229 0.906 -20.588 440 3HG2 VAL 56 HG21 VAL 56 4.082 2.241 -20.625 441 H SER 57 HN SER 57 4.352 -1.039 -23.859 442 HA SER 57 HA SER 57 2.092 -2.542 -25.124 443 1HB SER 57 HB2 SER 57 2.820 -1.321 -27.274 444 2HB SER 57 HB1 SER 57 2.156 -0.249 -26.025 445 HG SER 57 HG SER 57 4.399 0.151 -27.025 446 H ASN 58 HN ASN 58 5.582 -2.036 -25.079 447 HA ASN 58 HA ASN 58 6.418 -3.750 -27.109 448 1HB ASN 58 HB2 ASN 58 7.579 -3.396 -24.308 449 2HB ASN 58 HB1 ASN 58 8.439 -4.177 -25.629 450 1HD2 ASN 58 HD22 ASN 58 8.682 -0.238 -25.373 451 2HD2 ASN 58 HD21 ASN 58 8.280 -1.273 -24.090 452 NH1 ARG 59 NH2 ARG 59 2.302 -4.076 -30.397 453 NH2 ARG 59 NH1 ARG 59 1.886 -5.989 -31.555 454 H ARG 59 HN ARG 59 5.816 -5.752 -27.562 455 HA ARG 59 HA ARG 59 4.830 -7.558 -25.464 456 1HB ARG 59 HB2 ARG 59 5.196 -7.889 -28.472 457 2HB ARG 59 HB1 ARG 59 4.439 -9.091 -27.434 458 1HG ARG 59 HG1 ARG 59 2.543 -7.808 -27.091 459 2HG ARG 59 HG2 ARG 59 3.410 -6.286 -27.270 460 1HD ARG 59 HD1 ARG 59 3.747 -7.137 -29.758 461 2HD ARG 59 HD2 ARG 59 2.320 -8.107 -29.390 462 HE ARG 59 HE ARG 59 1.388 -5.738 -28.615 463 1HH1 ARG 59 HH21 ARG 59 2.433 -3.622 -29.518 464 2HH1 ARG 59 HH22 ARG 59 2.351 -3.549 -31.245 465 1HH2 ARG 59 HH11 ARG 59 1.704 -6.972 -31.547 466 2HH2 ARG 59 HH12 ARG 59 1.932 -5.500 -32.425 467 H PHE 60 HN PHE 60 5.706 -9.610 -25.012 468 HA PHE 60 HA PHE 60 8.631 -9.681 -25.136 469 1HB PHE 60 HB2 PHE 60 7.137 -10.454 -23.164 470 2HB PHE 60 HB1 PHE 60 6.774 -11.880 -24.131 471 HD1 PHE 60 HD2 PHE 60 9.549 -9.967 -22.557 472 HD2 PHE 60 HD1 PHE 60 8.376 -13.651 -24.346 473 HE1 PHE 60 HE2 PHE 60 11.665 -10.991 -21.844 474 HE2 PHE 60 HE1 PHE 60 10.491 -14.672 -23.627 475 HZ PHE 60 HZ PHE 60 12.137 -13.343 -22.377 476 H SER 61 HN SER 61 9.765 -11.689 -25.803 477 HA SER 61 HA SER 61 9.290 -12.287 -28.529 478 1HB SER 61 HB2 SER 61 10.640 -14.516 -27.190 479 2HB SER 61 HB1 SER 61 11.352 -13.284 -28.248 480 HG SER 61 HG SER 61 11.782 -13.433 -25.746 481 H GLY 62 HN GLY 62 8.147 -13.817 -29.581 482 1HA GLY 62 HA1 GLY 62 6.911 -15.862 -29.821 483 2HA GLY 62 HA2 GLY 62 6.930 -16.051 -28.070 484 H VAL 63 HN VAL 63 5.963 -13.481 -27.383 485 HA VAL 63 HA VAL 63 3.185 -13.880 -27.361 486 HB VAL 63 HB VAL 63 4.723 -11.237 -27.291 487 1HG1 VAL 63 HG11 VAL 63 1.872 -11.998 -26.668 488 2HG1 VAL 63 HG12 VAL 63 2.642 -10.694 -25.768 489 3HG1 VAL 63 HG13 VAL 63 2.477 -10.580 -27.519 490 1HG2 VAL 63 HG22 VAL 63 5.468 -12.898 -25.607 491 2HG2 VAL 63 HG23 VAL 63 4.628 -11.557 -24.839 492 3HG2 VAL 63 HG21 VAL 63 3.803 -13.096 -25.067 493 HA PRO 64 HA PRO 64 2.439 -13.145 -31.711 494 1HB PRO 64 HB2 PRO 64 -0.368 -13.610 -31.259 495 2HB PRO 64 HB1 PRO 64 0.801 -14.739 -31.943 496 1HG PRO 64 HG1 PRO 64 -0.420 -14.794 -29.302 497 2HG PRO 64 HG2 PRO 64 0.636 -15.998 -30.041 498 1HD PRO 64 HD1 PRO 64 1.296 -14.148 -27.947 499 2HD PRO 64 HD2 PRO 64 2.383 -15.297 -28.748 500 H ASP 65 HN ASP 65 1.430 -11.496 -32.890 501 HA ASP 65 HA ASP 65 1.123 -9.005 -31.603 502 1HB ASP 65 HB2 ASP 65 1.088 -9.974 -34.259 503 2HB ASP 65 HB1 ASP 65 -0.477 -9.190 -34.056 504 NH1 ARG 66 NH1 ARG 66 -3.028 -15.749 -34.550 505 NH2 ARG 66 NH2 ARG 66 -4.693 -17.021 -33.667 506 H ARG 66 HN ARG 66 -1.044 -11.605 -31.667 507 HA ARG 66 HA ARG 66 -3.556 -10.282 -31.679 508 1HB ARG 66 HB2 ARG 66 -2.514 -12.818 -30.359 509 2HB ARG 66 HB1 ARG 66 -4.183 -12.310 -30.123 510 1HG ARG 66 HG1 ARG 66 -4.550 -12.304 -32.556 511 2HG ARG 66 HG2 ARG 66 -2.866 -12.737 -32.829 512 1HD ARG 66 HD1 ARG 66 -3.172 -14.885 -31.742 513 2HD ARG 66 HD2 ARG 66 -4.793 -14.439 -31.209 514 HE ARG 66 HE ARG 66 -5.377 -14.357 -33.702 515 1HH1 ARG 66 HH11 ARG 66 -2.604 -14.852 -34.657 516 2HH1 ARG 66 HH12 ARG 66 -2.621 -16.550 -34.986 517 1HH2 ARG 66 HH21 ARG 66 -5.521 -17.079 -33.108 518 2HH2 ARG 66 HH22 ARG 66 -4.314 -17.845 -34.082 519 H PHE 67 HN PHE 67 -1.007 -10.071 -29.488 520 HA PHE 67 HA PHE 67 -2.801 -9.030 -27.333 521 1HB PHE 67 HB2 PHE 67 -0.057 -10.321 -27.358 522 2HB PHE 67 HB1 PHE 67 -0.500 -9.263 -26.021 523 HD1 PHE 67 HD2 PHE 67 -1.417 -12.382 -27.807 524 HD2 PHE 67 HD1 PHE 67 -2.132 -9.938 -24.393 525 HE1 PHE 67 HE2 PHE 67 -2.733 -14.189 -26.785 526 HE2 PHE 67 HE1 PHE 67 -3.440 -11.745 -23.374 527 HZ PHE 67 HZ PHE 67 -3.747 -13.873 -24.569 528 H SER 68 HN SER 68 -2.887 -6.886 -27.169 529 HA SER 68 HA SER 68 -0.425 -5.326 -27.813 530 1HB SER 68 HB2 SER 68 -1.979 -3.585 -28.887 531 2HB SER 68 HB1 SER 68 -1.929 -5.120 -29.774 532 HG SER 68 HG SER 68 -3.794 -4.480 -27.724 533 H GLY 69 HN GLY 69 0.083 -4.756 -25.777 534 1HA GLY 69 HA1 GLY 69 -2.004 -3.725 -23.964 535 2HA GLY 69 HA2 GLY 69 -0.313 -3.988 -23.547 536 H SER 70 HN SER 70 -1.930 -1.670 -23.035 537 HA SER 70 HA SER 70 -0.071 0.363 -24.000 538 1HB SER 70 HB2 SER 70 -1.992 1.769 -24.994 539 2HB SER 70 HB1 SER 70 -1.632 0.304 -25.928 540 HG SER 70 HG SER 70 -3.897 0.935 -24.695 541 H GLY 71 HN GLY 71 -0.427 2.437 -22.934 542 1HA GLY 71 HA1 GLY 71 -2.491 2.960 -21.073 543 2HA GLY 71 HA2 GLY 71 -1.225 2.108 -20.197 544 H SER 72 HN SER 72 -2.071 4.763 -19.700 545 HA SER 72 HA SER 72 0.053 6.500 -20.799 546 1HB SER 72 HB2 SER 72 -2.346 6.985 -18.962 547 2HB SER 72 HB1 SER 72 -1.178 8.259 -19.365 548 HG SER 72 HG SER 72 -2.693 8.330 -20.966 549 H GLY 73 HN GLY 73 -1.049 6.932 -17.534 550 1HA GLY 73 HA1 GLY 73 1.626 6.061 -16.513 551 2HA GLY 73 HA2 GLY 73 0.951 7.619 -16.045 552 H THR 74 HN THR 74 -1.756 6.724 -15.826 553 HA THR 74 HA THR 74 -1.550 4.950 -13.429 554 HB THR 74 HB THR 74 -3.704 6.276 -12.727 555 HG1 THR 74 HG1 THR 74 -2.680 8.347 -14.226 556 1HG2 THR 74 HG23 THR 74 -1.031 7.750 -13.023 557 2HG2 THR 74 HG21 THR 74 -2.346 8.276 -11.975 558 3HG2 THR 74 HG22 THR 74 -1.500 6.770 -11.636 559 H ASP 75 HN ASP 75 -2.292 4.584 -16.401 560 HA ASP 75 HA ASP 75 -4.500 2.726 -15.818 561 1HB ASP 75 HB2 ASP 75 -5.477 5.041 -16.457 562 2HB ASP 75 HB1 ASP 75 -4.828 4.757 -18.068 563 H PHE 76 HN PHE 76 -4.163 0.909 -16.829 564 HA PHE 76 HA PHE 76 -2.938 0.884 -19.535 565 1HB PHE 76 HB2 PHE 76 -1.995 -1.062 -17.389 566 2HB PHE 76 HB1 PHE 76 -1.209 -0.667 -18.915 567 HD1 PHE 76 HD1 PHE 76 -2.015 0.648 -15.538 568 HD2 PHE 76 HD2 PHE 76 0.314 1.187 -19.063 569 HE1 PHE 76 HE1 PHE 76 -0.661 2.341 -14.385 570 HE2 PHE 76 HE2 PHE 76 1.662 2.887 -17.909 571 HZ PHE 76 HZ PHE 76 1.182 3.457 -15.569 572 H THR 77 HN THR 77 -3.777 -0.742 -20.816 573 HA THR 77 HA THR 77 -5.415 -2.831 -19.462 574 HB THR 77 HB THR 77 -6.349 -0.951 -21.705 575 HG1 THR 77 HG1 THR 77 -6.425 -0.354 -19.439 576 1HG2 THR 77 HG22 THR 77 -7.096 -3.629 -21.525 577 2HG2 THR 77 HG23 THR 77 -8.216 -2.895 -20.387 578 3HG2 THR 77 HG21 THR 77 -8.196 -2.367 -22.065 579 H LEU 78 HN LEU 78 -5.552 -4.776 -20.516 580 HA LEU 78 HA LEU 78 -3.672 -5.114 -22.792 581 1HB LEU 78 HB2 LEU 78 -3.978 -6.552 -20.443 582 2HB LEU 78 HB1 LEU 78 -4.934 -7.516 -21.563 583 HG LEU 78 HG LEU 78 -2.968 -7.492 -23.151 584 1HD1 LEU 78 HD12 LEU 78 -1.958 -5.749 -20.986 585 2HD1 LEU 78 HD13 LEU 78 -0.813 -6.974 -21.524 586 3HD1 LEU 78 HD11 LEU 78 -1.479 -5.824 -22.679 587 1HD2 LEU 78 HD22 LEU 78 -3.394 -9.390 -21.597 588 2HD2 LEU 78 HD23 LEU 78 -1.672 -9.149 -21.869 589 3HD2 LEU 78 HD21 LEU 78 -2.413 -8.591 -20.371 590 H LYS 79 HN LYS 79 -4.655 -4.893 -24.685 591 HA LYS 79 HA LYS 79 -7.432 -5.882 -25.007 592 1HB LYS 79 HB2 LYS 79 -5.617 -4.035 -26.585 593 2HB LYS 79 HB1 LYS 79 -7.053 -4.719 -27.340 594 1HG LYS 79 HG1 LYS 79 -8.460 -3.792 -25.540 595 2HG LYS 79 HG2 LYS 79 -7.032 -3.141 -24.743 596 1HD LYS 79 HD1 LYS 79 -6.611 -1.608 -26.537 597 2HD LYS 79 HD2 LYS 79 -7.755 -2.424 -27.597 598 1HE LYS 79 HE1 LYS 79 -8.780 -1.373 -24.989 599 2HE LYS 79 HE2 LYS 79 -8.435 -0.206 -26.261 600 1HZ LYS 79 HZ1 LYS 79 -10.490 -0.714 -26.930 601 2HZ LYS 79 HZ2 LYS 79 -9.767 -2.096 -27.607 602 H ILE 80 HN ILE 80 -7.909 -7.662 -26.082 603 HA ILE 80 HA ILE 80 -5.739 -8.983 -27.661 604 HB ILE 80 HB ILE 80 -8.100 -10.247 -26.187 605 1HG1 ILE 80 HG11 ILE 80 -5.155 -10.385 -25.464 606 2HG1 ILE 80 HG12 ILE 80 -6.277 -9.248 -24.726 607 1HG2 ILE 80 HG21 ILE 80 -7.161 -11.454 -28.247 608 2HG2 ILE 80 HG22 ILE 80 -5.618 -11.554 -27.404 609 3HG2 ILE 80 HG23 ILE 80 -7.035 -12.376 -26.754 610 1HD1 ILE 80 HD11 ILE 80 -7.743 -11.355 -24.243 611 2HD1 ILE 80 HD12 ILE 80 -6.263 -12.260 -24.542 612 3HD1 ILE 80 HD13 ILE 80 -6.324 -11.081 -23.236 613 H SER 81 HN SER 81 -6.154 -9.700 -29.649 614 HA SER 81 HA SER 81 -8.417 -8.500 -30.945 615 1HB SER 81 HB2 SER 81 -6.509 -10.608 -32.070 616 2HB SER 81 HB1 SER 81 -7.486 -9.459 -33.006 617 HG SER 81 HG SER 81 -5.992 -8.341 -30.980 618 NH1 ARG 82 NH2 ARG 82 -6.559 -14.713 -36.784 619 NH2 ARG 82 NH1 ARG 82 -7.807 -12.888 -37.310 620 H ARG 82 HN ARG 82 -7.472 -11.937 -30.784 621 HA ARG 82 HA ARG 82 -10.392 -12.572 -30.703 622 1HB ARG 82 HB2 ARG 82 -9.083 -14.800 -31.864 623 2HB ARG 82 HB1 ARG 82 -10.103 -13.642 -32.703 624 1HG ARG 82 HG1 ARG 82 -8.130 -12.209 -33.134 625 2HG ARG 82 HG2 ARG 82 -7.105 -13.365 -32.288 626 1HD ARG 82 HD1 ARG 82 -7.294 -14.969 -33.979 627 2HD ARG 82 HD2 ARG 82 -8.844 -14.343 -34.539 628 HE ARG 82 HE ARG 82 -6.697 -12.423 -34.941 629 1HH1 ARG 82 HH21 ARG 82 -6.085 -15.252 -36.090 630 2HH1 ARG 82 HH22 ARG 82 -6.559 -15.013 -37.737 631 1HH2 ARG 82 HH11 ARG 82 -8.271 -12.056 -37.011 632 2HH2 ARG 82 HH12 ARG 82 -7.831 -13.156 -38.272 633 H VAL 83 HN VAL 83 -10.644 -13.106 -28.630 634 HA VAL 83 HA VAL 83 -8.722 -14.400 -26.975 635 HB VAL 83 HB VAL 83 -11.775 -14.304 -26.841 636 1HG1 VAL 83 HG12 VAL 83 -9.729 -15.139 -24.757 637 2HG1 VAL 83 HG13 VAL 83 -11.427 -14.828 -24.409 638 3HG1 VAL 83 HG11 VAL 83 -10.975 -16.160 -25.468 639 1HG2 VAL 83 HG22 VAL 83 -9.534 -12.619 -25.699 640 2HG2 VAL 83 HG23 VAL 83 -10.892 -12.092 -26.689 641 3HG2 VAL 83 HG21 VAL 83 -11.159 -12.583 -25.019 642 H GLU 84 HN GLU 84 -7.885 -16.330 -27.406 643 HA GLU 84 HA GLU 84 -9.617 -18.443 -28.589 644 1HB GLU 84 HB2 GLU 84 -6.607 -18.542 -28.107 645 2HB GLU 84 HB1 GLU 84 -7.544 -19.534 -29.219 646 1HG GLU 84 HG1 GLU 84 -8.203 -17.205 -30.285 647 2HG GLU 84 HG2 GLU 84 -6.744 -16.642 -29.477 648 H ALA 85 HN ALA 85 -8.920 -20.736 -27.817 649 HA ALA 85 HA ALA 85 -9.800 -21.086 -25.157 650 1HB ALA 85 HB2 ALA 85 -9.596 -22.833 -27.060 651 2HB ALA 85 HB3 ALA 85 -7.900 -22.981 -26.606 652 3HB ALA 85 HB1 ALA 85 -9.162 -23.405 -25.452 653 H GLU 86 HN GLU 86 -6.612 -20.507 -26.429 654 HA GLU 86 HA GLU 86 -5.191 -21.219 -24.004 655 1HB GLU 86 HB2 GLU 86 -4.405 -19.421 -26.354 656 2HB GLU 86 HB1 GLU 86 -3.286 -20.022 -25.134 657 1HG GLU 86 HG1 GLU 86 -3.965 -22.373 -25.776 658 2HG GLU 86 HG2 GLU 86 -4.900 -21.687 -27.099 659 H ASP 87 HN ASP 87 -6.774 -18.375 -25.221 660 HA ASP 87 HA ASP 87 -5.576 -16.502 -23.369 661 1HB ASP 87 HB2 ASP 87 -8.143 -16.467 -25.018 662 2HB ASP 87 HB1 ASP 87 -7.616 -15.094 -24.049 663 H LEU 88 HN LEU 88 -7.564 -19.067 -22.792 664 HA LEU 88 HA LEU 88 -9.363 -17.827 -20.865 665 1HB LEU 88 HB2 LEU 88 -8.570 -20.752 -21.259 666 2HB LEU 88 HB1 LEU 88 -9.926 -20.194 -20.287 667 HG LEU 88 HG LEU 88 -9.598 -19.700 -23.268 668 1HD1 LEU 88 HD11 LEU 88 -10.089 -22.077 -22.622 669 2HD1 LEU 88 HD12 LEU 88 -11.525 -21.510 -21.772 670 3HD1 LEU 88 HD13 LEU 88 -11.402 -21.324 -23.519 671 1HD2 LEU 88 HD21 LEU 88 -11.788 -19.035 -21.276 672 2HD2 LEU 88 HD22 LEU 88 -10.862 -17.902 -22.256 673 3HD2 LEU 88 HD23 LEU 88 -12.021 -18.983 -23.020 674 H GLY 89 HN GLY 89 -9.321 -18.082 -18.618 675 1HA GLY 89 HA1 GLY 89 -7.995 -19.130 -16.682 676 2HA GLY 89 HA2 GLY 89 -6.571 -18.497 -17.507 677 H ILE 90 HN ILE 90 -6.093 -17.221 -15.621 678 HA ILE 90 HA ILE 90 -7.911 -14.857 -15.338 679 HB ILE 90 HB ILE 90 -5.968 -15.942 -13.247 680 1HG1 ILE 90 HG11 ILE 90 -8.762 -16.269 -12.565 681 2HG1 ILE 90 HG12 ILE 90 -8.421 -17.099 -14.078 682 1HG2 ILE 90 HG22 ILE 90 -8.299 -13.959 -13.178 683 2HG2 ILE 90 HG23 ILE 90 -7.431 -14.507 -11.747 684 3HG2 ILE 90 HG21 ILE 90 -6.595 -13.562 -12.976 685 1HD1 ILE 90 HD11 ILE 90 -6.777 -17.398 -11.541 686 2HD1 ILE 90 HD12 ILE 90 -8.000 -18.545 -12.080 687 3HD1 ILE 90 HD13 ILE 90 -6.547 -18.291 -13.042 688 OH TYR 91 OH TYR 91 -4.368 -13.482 -22.256 689 H TYR 91 HN TYR 91 -7.057 -12.888 -15.649 690 HA TYR 91 HA TYR 91 -4.172 -12.778 -16.376 691 1HB TYR 91 HB2 TYR 91 -6.630 -11.182 -17.049 692 2HB TYR 91 HB1 TYR 91 -5.093 -10.324 -17.059 693 HD1 TYR 91 HD1 TYR 91 -7.036 -13.030 -18.632 694 HD2 TYR 91 HD2 TYR 91 -3.357 -10.893 -18.688 695 HE1 TYR 91 HE1 TYR 91 -6.520 -13.968 -20.840 696 HE2 TYR 91 HE2 TYR 91 -2.844 -11.829 -20.896 697 HH TYR 91 HH TYR 91 -5.146 -13.371 -22.806 698 H PHE 92 HN PHE 92 -2.801 -11.149 -15.587 699 HA PHE 92 HA PHE 92 -3.742 -9.663 -13.178 700 1HB PHE 92 HB2 PHE 92 -1.248 -11.428 -13.355 701 2HB PHE 92 HB1 PHE 92 -1.634 -10.383 -11.990 702 HD1 PHE 92 HD2 PHE 92 -2.637 -13.421 -13.831 703 HD2 PHE 92 HD1 PHE 92 -3.414 -10.970 -10.435 704 HE1 PHE 92 HE2 PHE 92 -4.044 -15.189 -12.874 705 HE2 PHE 92 HE1 PHE 92 -4.823 -12.742 -9.480 706 HZ PHE 92 HZ PHE 92 -5.142 -14.853 -10.701 707 H CYS 93 HN CYS 93 -2.235 -7.957 -12.516 708 HA CYS 93 HA CYS 93 -0.265 -7.140 -14.581 709 1HB CYS 93 HB2 CYS 93 -1.276 -5.086 -15.057 710 2HB CYS 93 HB1 CYS 93 -2.663 -6.132 -14.932 711 H SER 94 HN SER 94 1.411 -5.930 -13.790 712 HA SER 94 HA SER 94 1.251 -4.929 -10.997 713 1HB SER 94 HB2 SER 94 3.401 -6.882 -11.985 714 2HB SER 94 HB1 SER 94 3.337 -6.150 -10.371 715 HG SER 94 HG SER 94 0.961 -7.241 -11.167 716 H GLN 95 HN GLN 95 2.982 -3.482 -10.449 717 HA GLN 95 HA GLN 95 4.162 -2.232 -12.886 718 1HB GLN 95 HB2 GLN 95 4.202 -0.160 -11.652 719 2HB GLN 95 HB1 GLN 95 2.648 -0.885 -11.273 720 1HG GLN 95 HG1 GLN 95 5.063 -1.378 -9.514 721 2HG GLN 95 HG2 GLN 95 4.053 0.044 -9.298 722 1HE2 GLN 95 HE22 GLN 95 1.188 -1.875 -8.242 723 2HE2 GLN 95 HE21 GLN 95 1.605 -0.486 -9.124 724 H THR 96 HN THR 96 6.335 -1.570 -12.877 725 HA THR 96 HA THR 96 8.004 -3.006 -10.850 726 HB THR 96 HB THR 96 9.643 -2.532 -13.121 727 HG1 THR 96 HG1 THR 96 7.525 -3.729 -14.301 728 1HG2 THR 96 HG22 THR 96 9.329 -4.732 -11.812 729 2HG2 THR 96 HG23 THR 96 7.808 -4.949 -12.673 730 3HG2 THR 96 HG21 THR 96 9.330 -4.950 -13.560 731 H THR 97 HN THR 97 6.923 -0.305 -10.700 732 HA THR 97 HA THR 97 9.386 1.365 -10.937 733 HB THR 97 HB THR 97 6.579 2.355 -10.191 734 HG1 THR 97 HG1 THR 97 7.151 1.015 -12.293 735 1HG2 THR 97 HG23 THR 97 9.058 3.521 -11.571 736 2HG2 THR 97 HG21 THR 97 7.486 4.316 -11.626 737 3HG2 THR 97 HG22 THR 97 8.313 4.103 -10.084 738 H HIS 98 HN HIS 98 6.682 1.019 -8.630 739 HA HIS 98 HA HIS 98 8.358 2.012 -6.445 740 1HB HIS 98 HB2 HIS 98 5.510 0.996 -6.703 741 2HB HIS 98 HB1 HIS 98 6.216 1.226 -5.107 742 HD2 HIS 98 HD2 HIS 98 5.696 3.452 -8.362 743 HE1 HIS 98 HE1 HIS 98 5.523 5.861 -5.006 744 H VAL 99 HN VAL 99 8.823 0.818 -4.510 745 HA VAL 99 HA VAL 99 8.716 -2.137 -4.779 746 HB VAL 99 HB VAL 99 11.232 -0.502 -4.201 747 1HG1 VAL 99 HG13 VAL 99 10.972 -2.729 -2.953 748 2HG1 VAL 99 HG11 VAL 99 11.006 -3.508 -4.533 749 3HG1 VAL 99 HG12 VAL 99 12.398 -2.589 -3.974 750 1HG2 VAL 99 HG23 VAL 99 10.364 -2.210 -6.555 751 2HG2 VAL 99 HG21 VAL 99 10.716 -0.484 -6.569 752 3HG2 VAL 99 HG22 VAL 99 12.016 -1.646 -6.322 753 HA PRO 100 HA PRO 100 9.247 -3.867 -3.683 754 1HB PRO 100 HB2 PRO 100 7.207 -5.251 -2.207 755 2HB PRO 100 HB1 PRO 100 8.951 -5.472 -2.062 756 1HG PRO 100 HG1 PRO 100 7.150 -4.206 -0.174 757 2HG PRO 100 HG2 PRO 100 8.882 -4.495 0.004 758 1HD PRO 100 HD1 PRO 100 7.539 -1.984 -0.529 759 2HD PRO 100 HD2 PRO 100 9.274 -2.264 -0.304 760 HA PRO 101 HA PRO 101 5.875 -3.286 -6.401 761 1HB PRO 101 HB2 PRO 101 5.669 -6.069 -7.164 762 2HB PRO 101 HB1 PRO 101 6.506 -4.782 -8.033 763 1HG PRO 101 HG1 PRO 101 7.670 -6.962 -6.508 764 2HG PRO 101 HG2 PRO 101 8.506 -5.728 -7.452 765 1HD PRO 101 HD1 PRO 101 8.355 -5.937 -4.587 766 2HD PRO 101 HD2 PRO 101 9.140 -4.660 -5.535 767 H THR 102 HN THR 102 3.620 -3.597 -6.535 768 HA THR 102 HA THR 102 2.439 -4.755 -4.106 769 HB THR 102 HB THR 102 0.276 -3.819 -5.086 770 HG1 THR 102 HG1 THR 102 1.965 -2.862 -7.136 771 1HG2 THR 102 HG22 THR 102 2.806 -2.125 -5.003 772 2HG2 THR 102 HG23 THR 102 1.312 -1.397 -5.582 773 3HG2 THR 102 HG21 THR 102 1.404 -2.032 -3.943 774 H PHE 103 HN PHE 103 1.777 -5.160 -7.581 775 HA PHE 103 HA PHE 103 1.071 -7.012 -8.805 776 1HB PHE 103 HB2 PHE 103 3.132 -8.050 -7.823 777 2HB PHE 103 HB1 PHE 103 2.202 -8.552 -6.415 778 HD1 PHE 103 HD1 PHE 103 0.338 -10.221 -6.698 779 HD2 PHE 103 HD2 PHE 103 3.001 -9.284 -9.888 780 HE1 PHE 103 HE1 PHE 103 -0.358 -12.257 -7.881 781 HE2 PHE 103 HE2 PHE 103 2.303 -11.322 -11.067 782 HZ PHE 103 HZ PHE 103 0.622 -12.810 -10.066 783 H GLY 104 HN GLY 104 -0.946 -7.664 -9.092 784 1HA GLY 104 HA1 GLY 104 -2.464 -9.184 -7.231 785 2HA GLY 104 HA2 GLY 104 -2.919 -7.495 -7.035 786 H GLY 105 HN GLY 105 -5.010 -7.898 -7.783 787 1HA GLY 105 HA1 GLY 105 -6.530 -7.541 -9.593 788 2HA GLY 105 HA2 GLY 105 -5.231 -7.902 -10.728 789 H GLY 106 HN GLY 106 -7.222 -9.162 -11.583 790 1HA GLY 106 HA1 GLY 106 -6.761 -11.880 -11.550 791 2HA GLY 106 HA2 GLY 106 -7.836 -11.647 -10.176 792 H THR 107 HN THR 107 -7.587 -10.640 -13.586 793 HA THR 107 HA THR 107 -10.501 -10.472 -13.783 794 HB THR 107 HB THR 107 -8.378 -10.385 -16.013 795 HG1 THR 107 HG1 THR 107 -9.719 -8.320 -14.586 796 1HG2 THR 107 HG21 THR 107 -11.294 -10.260 -15.985 797 2HG2 THR 107 HG22 THR 107 -10.669 -8.656 -16.369 798 3HG2 THR 107 HG23 THR 107 -10.228 -10.036 -17.371 799 H LYS 108 HN LYS 108 -11.521 -12.356 -13.643 800 HA LYS 108 HA LYS 108 -10.433 -14.850 -14.636 801 1HB LYS 108 HB2 LYS 108 -13.015 -13.911 -13.403 802 2HB LYS 108 HB1 LYS 108 -13.071 -15.421 -14.303 803 1HG LYS 108 HG1 LYS 108 -10.716 -15.422 -12.641 804 2HG LYS 108 HG2 LYS 108 -12.107 -15.003 -11.650 805 1HD LYS 108 HD1 LYS 108 -11.818 -17.448 -11.710 806 2HD LYS 108 HD2 LYS 108 -13.316 -16.994 -12.511 807 1HE LYS 108 HE1 LYS 108 -12.580 -18.191 -14.287 808 2HE LYS 108 HE2 LYS 108 -11.423 -16.894 -14.561 809 1HZ LYS 108 HZ1 LYS 108 -9.999 -18.139 -12.860 810 2HZ LYS 108 HZ2 LYS 108 -11.024 -19.459 -13.172 811 H LEU 109 HN LEU 109 -10.396 -15.494 -16.655 812 HA LEU 109 HA LEU 109 -12.405 -14.364 -18.554 813 1HB LEU 109 HB2 LEU 109 -9.608 -14.278 -18.654 814 2HB LEU 109 HB1 LEU 109 -9.990 -15.619 -19.723 815 HG LEU 109 HG LEU 109 -11.877 -13.636 -20.375 816 1HD1 LEU 109 HD12 LEU 109 -9.174 -12.500 -19.669 817 2HD1 LEU 109 HD13 LEU 109 -10.102 -11.793 -20.988 818 3HD1 LEU 109 HD11 LEU 109 -10.771 -11.824 -19.360 819 1HD2 LEU 109 HD22 LEU 109 -9.234 -14.354 -21.694 820 2HD2 LEU 109 HD23 LEU 109 -10.765 -15.189 -21.937 821 3HD2 LEU 109 HD21 LEU 109 -10.571 -13.527 -22.486 822 H GLU 110 HN GLU 110 -13.837 -16.074 -17.863 823 HA GLU 110 HA GLU 110 -13.085 -18.748 -18.957 824 1HB GLU 110 HB2 GLU 110 -15.121 -19.524 -17.608 825 2HB GLU 110 HB1 GLU 110 -13.807 -18.886 -16.629 826 1HG GLU 110 HG1 GLU 110 -14.940 -16.779 -16.326 827 2HG GLU 110 HG2 GLU 110 -16.147 -17.183 -17.545 828 H ILE 111 HN ILE 111 -14.410 -19.761 -20.442 829 HA ILE 111 HA ILE 111 -15.777 -18.055 -22.286 830 HB ILE 111 HB ILE 111 -16.213 -21.056 -21.999 831 1HG1 ILE 111 HG11 ILE 111 -13.995 -19.780 -23.618 832 2HG1 ILE 111 HG12 ILE 111 -13.737 -20.316 -21.962 833 1HG2 ILE 111 HG23 ILE 111 -16.156 -19.121 -24.367 834 2HG2 ILE 111 HG21 ILE 111 -16.433 -20.856 -24.498 835 3HG2 ILE 111 HG22 ILE 111 -17.604 -19.838 -23.665 836 1HD1 ILE 111 HD13 ILE 111 -14.540 -22.588 -22.589 837 2HD1 ILE 111 HD11 ILE 111 -14.732 -22.046 -24.253 838 3HD1 ILE 111 HD12 ILE 111 -13.131 -22.116 -23.529 839 H LYS 112 HN LYS 112 -17.815 -17.387 -22.396 840 HA LYS 112 HA LYS 112 -19.620 -17.881 -20.192 841 1HB LYS 112 HB2 LYS 112 -19.508 -15.745 -21.610 842 2HB LYS 112 HB1 LYS 112 -20.280 -16.647 -22.909 843 1HG LYS 112 HG1 LYS 112 -21.588 -16.826 -20.237 844 2HG LYS 112 HG2 LYS 112 -21.680 -15.260 -21.033 845 1HD LYS 112 HD1 LYS 112 -22.654 -16.289 -23.033 846 2HD LYS 112 HD2 LYS 112 -22.463 -17.891 -22.337 847 1HE LYS 112 HE1 LYS 112 -23.945 -15.950 -20.654 848 2HE LYS 112 HE2 LYS 112 -24.755 -16.438 -22.137 849 1HZ LYS 112 HZ1 LYS 112 -24.320 -18.782 -21.472 850 2HZ LYS 112 HZ2 LYS 112 -23.760 -18.208 -19.975 851 NH1 ARG 113 NH1 ARG 113 -20.526 -26.695 -19.915 852 NH2 ARG 113 NH2 ARG 113 -18.718 -26.471 -18.556 853 H ARG 113 HN ARG 113 -20.405 -19.906 -20.023 854 HA ARG 113 HA ARG 113 -21.280 -21.338 -22.447 855 1HB ARG 113 HB2 ARG 113 -20.394 -22.066 -19.799 856 2HB ARG 113 HB1 ARG 113 -22.025 -22.694 -19.998 857 1HG ARG 113 HG1 ARG 113 -21.348 -24.263 -21.497 858 2HG ARG 113 HG2 ARG 113 -20.371 -23.104 -22.390 859 1HD ARG 113 HD1 ARG 113 -18.911 -24.821 -21.413 860 2HD ARG 113 HD2 ARG 113 -18.610 -23.276 -20.616 861 HE ARG 113 HE ARG 113 -19.967 -24.099 -18.706 862 1HH1 ARG 113 HH11 ARG 113 -21.225 -26.264 -20.485 863 2HH1 ARG 113 HH12 ARG 113 -20.507 -27.688 -19.814 864 1HH2 ARG 113 HH21 ARG 113 -18.057 -25.873 -18.105 865 2HH2 ARG 113 HH22 ARG 113 -18.665 -27.461 -18.429 Start of MODEL 7 Raw file had 865 H/Q atoms Start of MODEL 7 1 1H ASP 1 HT1 ASP 1 -1.348 -1.373 -0.657 2 2H ASP 1 HT2 ASP 1 -0.212 -0.531 0.286 3 3H ASP 1 HT3 ASP 1 -1.425 0.321 -0.542 4 HA ASP 1 HA ASP 1 -0.401 0.191 -2.530 5 1HB ASP 1 HB2 ASP 1 2.147 -0.450 -1.067 6 2HB ASP 1 HB1 ASP 1 1.811 0.875 -2.180 7 H VAL 2 HN VAL 2 1.468 -0.905 -3.788 8 HA VAL 2 HA VAL 2 0.566 -3.546 -4.262 9 HB VAL 2 HB VAL 2 3.164 -2.161 -5.080 10 1HG1 VAL 2 HG12 VAL 2 1.896 -4.772 -5.944 11 2HG1 VAL 2 HG13 VAL 2 3.016 -3.902 -6.986 12 3HG1 VAL 2 HG11 VAL 2 3.552 -4.491 -5.416 13 1HG2 VAL 2 HG23 VAL 2 0.460 -2.491 -6.421 14 2HG2 VAL 2 HG21 VAL 2 1.222 -0.983 -5.928 15 3HG2 VAL 2 HG22 VAL 2 1.895 -1.914 -7.262 16 H VAL 3 HN VAL 3 1.705 -5.552 -4.009 17 HA VAL 3 HA VAL 3 3.344 -5.581 -1.520 18 HB VAL 3 HB VAL 3 2.061 -7.951 -2.952 19 1HG1 VAL 3 HG11 VAL 3 3.114 -7.460 -0.148 20 2HG1 VAL 3 HG12 VAL 3 2.150 -8.869 -0.579 21 3HG1 VAL 3 HG13 VAL 3 3.723 -8.616 -1.328 22 1HG2 VAL 3 HG23 VAL 3 0.914 -6.007 -0.934 23 2HG2 VAL 3 HG21 VAL 3 0.209 -6.531 -2.460 24 3HG2 VAL 3 HG22 VAL 3 0.284 -7.643 -1.096 25 H MET 4 HN MET 4 5.323 -6.566 -1.426 26 HA MET 4 HA MET 4 6.494 -7.438 -4.039 27 1HB MET 4 HB2 MET 4 7.359 -5.413 -2.072 28 2HB MET 4 HB1 MET 4 8.633 -6.568 -2.446 29 1HG MET 4 HG1 MET 4 6.997 -5.264 -4.613 30 2HG MET 4 HG2 MET 4 8.391 -4.464 -3.936 31 1HE MET 4 HE3 MET 4 7.788 -4.791 -6.734 32 2HE MET 4 HE1 MET 4 9.465 -4.273 -6.544 33 3HE MET 4 HE2 MET 4 9.073 -5.614 -7.621 34 H THR 5 HN THR 5 6.343 -9.619 -3.743 35 HA THR 5 HA THR 5 7.399 -10.820 -1.245 36 HB THR 5 HB THR 5 6.224 -12.207 -3.729 37 HG1 THR 5 HG1 THR 5 5.190 -10.749 -1.614 38 1HG2 THR 5 HG22 THR 5 6.730 -12.968 -0.808 39 2HG2 THR 5 HG23 THR 5 5.518 -13.810 -1.769 40 3HG2 THR 5 HG21 THR 5 7.213 -13.870 -2.242 41 H GLN 6 HN GLN 6 8.989 -12.605 -1.417 42 HA GLN 6 HA GLN 6 10.540 -12.817 -3.860 43 1HB GLN 6 HB2 GLN 6 12.403 -11.536 -3.317 44 2HB GLN 6 HB1 GLN 6 11.148 -10.588 -2.533 45 1HG GLN 6 HG1 GLN 6 12.559 -12.813 -1.097 46 2HG GLN 6 HG2 GLN 6 13.227 -11.192 -1.144 47 1HE2 GLN 6 HE22 GLN 6 10.158 -11.997 1.348 48 2HE2 GLN 6 HE21 GLN 6 10.914 -13.208 0.430 49 H THR 7 HN THR 7 12.399 -14.210 -3.682 50 HA THR 7 HA THR 7 12.815 -15.824 -1.300 51 HB THR 7 HB THR 7 12.013 -17.773 -3.318 52 HG1 THR 7 HG1 THR 7 9.990 -15.913 -2.626 53 1HG2 THR 7 HG22 THR 7 10.983 -16.829 -0.610 54 2HG2 THR 7 HG23 THR 7 9.988 -17.927 -1.560 55 3HG2 THR 7 HG21 THR 7 11.594 -18.423 -1.042 56 HA PRO 8 HA PRO 8 13.529 -17.820 -1.008 57 1HB PRO 8 HB2 PRO 8 15.986 -18.979 -0.314 58 2HB PRO 8 HB1 PRO 8 14.793 -19.742 -1.367 59 1HG PRO 8 HG1 PRO 8 17.409 -18.612 -2.078 60 2HG PRO 8 HG2 PRO 8 16.344 -19.621 -3.056 61 1HD PRO 8 HD1 PRO 8 16.733 -16.740 -3.220 62 2HD PRO 8 HD2 PRO 8 15.721 -17.771 -4.255 63 H LEU 9 HN LEU 9 14.533 -17.901 1.314 64 HA LEU 9 HA LEU 9 15.272 -15.166 2.015 65 1HB LEU 9 HB2 LEU 9 14.642 -17.730 3.464 66 2HB LEU 9 HB1 LEU 9 15.607 -16.549 4.340 67 HG LEU 9 HG LEU 9 13.865 -14.813 3.816 68 1HD1 LEU 9 HD11 LEU 9 12.473 -17.250 2.661 69 2HD1 LEU 9 HD12 LEU 9 11.611 -15.781 3.106 70 3HD1 LEU 9 HD13 LEU 9 12.836 -15.734 1.842 71 1HD2 LEU 9 HD23 LEU 9 12.949 -17.319 5.274 72 2HD2 LEU 9 HD21 LEU 9 13.819 -15.959 5.979 73 3HD2 LEU 9 HD22 LEU 9 12.167 -15.747 5.408 74 H SER 10 HN SER 10 16.838 -18.333 2.233 75 HA SER 10 HA SER 10 19.481 -16.931 2.371 76 1HB SER 10 HB2 SER 10 18.731 -18.228 4.490 77 2HB SER 10 HB1 SER 10 18.882 -19.705 3.517 78 HG SER 10 HG SER 10 20.836 -18.862 4.691 79 H LEU 11 HN LEU 11 21.224 -17.980 1.254 80 HA LEU 11 HA LEU 11 20.390 -20.158 -0.598 81 1HB LEU 11 HB2 LEU 11 20.225 -17.763 -1.598 82 2HB LEU 11 HB1 LEU 11 21.982 -17.753 -1.551 83 HG LEU 11 HG LEU 11 21.653 -20.137 -2.740 84 1HD1 LEU 11 HD11 LEU 11 19.132 -19.866 -2.579 85 2HD1 LEU 11 HD12 LEU 11 19.271 -18.536 -3.725 86 3HD1 LEU 11 HD13 LEU 11 19.731 -20.165 -4.206 87 1HD2 LEU 11 HD21 LEU 11 21.511 -17.393 -4.027 88 2HD2 LEU 11 HD22 LEU 11 22.952 -18.365 -3.742 89 3HD2 LEU 11 HD23 LEU 11 21.772 -18.872 -4.946 90 HA PRO 12 HA PRO 12 24.547 -20.975 1.193 91 1HB PRO 12 HB2 PRO 12 23.831 -23.762 1.352 92 2HB PRO 12 HB1 PRO 12 23.986 -22.633 2.699 93 1HG PRO 12 HG1 PRO 12 21.558 -23.762 1.589 94 2HG PRO 12 HG2 PRO 12 21.718 -22.691 2.980 95 1HD PRO 12 HD1 PRO 12 20.722 -22.040 0.343 96 2HD PRO 12 HD2 PRO 12 20.859 -20.967 1.749 97 H VAL 13 HN VAL 13 25.923 -20.990 -0.501 98 HA VAL 13 HA VAL 13 25.638 -23.192 -2.504 99 HB VAL 13 HB VAL 13 26.194 -21.588 -4.311 100 1HG1 VAL 13 HG11 VAL 13 23.780 -21.880 -3.382 101 2HG1 VAL 13 HG12 VAL 13 24.006 -20.272 -2.702 102 3HG1 VAL 13 HG13 VAL 13 24.097 -20.512 -4.443 103 1HG2 VAL 13 HG21 VAL 13 26.278 -19.578 -2.029 104 2HG2 VAL 13 HG22 VAL 13 27.613 -20.038 -3.082 105 3HG2 VAL 13 HG23 VAL 13 26.254 -19.126 -3.731 106 H SER 14 HN SER 14 27.643 -22.886 -4.085 107 HA SER 14 HA SER 14 30.087 -22.840 -2.360 108 1HB SER 14 HB2 SER 14 30.961 -24.605 -3.948 109 2HB SER 14 HB1 SER 14 29.426 -25.134 -3.232 110 HG SER 14 HG SER 14 28.902 -25.272 -5.301 111 H LEU 15 HN LEU 15 32.079 -22.225 -3.518 112 HA LEU 15 HA LEU 15 31.560 -19.942 -5.268 113 1HB LEU 15 HB2 LEU 15 34.217 -21.202 -4.441 114 2HB LEU 15 HB1 LEU 15 34.005 -19.607 -5.152 115 HG LEU 15 HG LEU 15 32.918 -20.524 -2.464 116 1HD1 LEU 15 HD11 LEU 15 35.114 -18.605 -3.295 117 2HD1 LEU 15 HD12 LEU 15 34.457 -18.673 -1.664 118 3HD1 LEU 15 HD13 LEU 15 35.290 -20.072 -2.336 119 1HD2 LEU 15 HD21 LEU 15 32.517 -18.025 -4.111 120 2HD2 LEU 15 HD22 LEU 15 31.312 -18.978 -3.250 121 3HD2 LEU 15 HD23 LEU 15 32.429 -17.955 -2.354 122 H GLY 16 HN GLY 16 30.669 -20.896 -7.060 123 1HA GLY 16 HA1 GLY 16 31.865 -21.193 -9.395 124 2HA GLY 16 HA2 GLY 16 32.384 -22.716 -8.676 125 H ASP 17 HN ASP 17 29.288 -21.177 -8.134 126 HA ASP 17 HA ASP 17 27.966 -23.311 -9.748 127 1HB ASP 17 HB2 ASP 17 28.034 -23.319 -6.995 128 2HB ASP 17 HB1 ASP 17 26.576 -22.370 -7.272 129 H GLN 18 HN GLN 18 25.396 -22.654 -9.540 130 HA GLN 18 HA GLN 18 25.332 -19.880 -10.653 131 1HB GLN 18 HB2 GLN 18 23.927 -22.443 -11.260 132 2HB GLN 18 HB1 GLN 18 22.910 -21.010 -11.323 133 1HG GLN 18 HG1 GLN 18 24.574 -19.933 -12.853 134 2HG GLN 18 HG2 GLN 18 25.509 -21.426 -12.844 135 1HE2 GLN 18 HE22 GLN 18 23.009 -23.243 -14.733 136 2HE2 GLN 18 HE21 GLN 18 24.123 -23.455 -13.470 137 H ALA 19 HN ALA 19 23.803 -18.413 -9.987 138 HA ALA 19 HA ALA 19 22.180 -19.184 -7.589 139 1HB ALA 19 HB3 ALA 19 24.191 -17.028 -7.981 140 2HB ALA 19 HB1 ALA 19 22.682 -16.470 -7.267 141 3HB ALA 19 HB2 ALA 19 23.610 -17.744 -6.483 142 H SER 20 HN SER 20 20.238 -17.874 -7.277 143 HA SER 20 HA SER 20 19.405 -16.094 -9.435 144 1HB SER 20 HB2 SER 20 17.342 -17.697 -9.895 145 2HB SER 20 HB1 SER 20 18.893 -18.115 -10.646 146 HG SER 20 HG SER 20 19.276 -19.581 -9.080 147 H ILE 21 HN ILE 21 19.014 -14.666 -7.717 148 HA ILE 21 HA ILE 21 17.213 -15.368 -5.538 149 HB ILE 21 HB ILE 21 18.085 -12.635 -6.619 150 1HG1 ILE 21 HG11 ILE 21 19.202 -13.704 -4.087 151 2HG1 ILE 21 HG12 ILE 21 19.717 -14.543 -5.544 152 1HG2 ILE 21 HG21 ILE 21 16.720 -13.553 -4.043 153 2HG2 ILE 21 HG22 ILE 21 17.522 -11.991 -4.171 154 3HG2 ILE 21 HG23 ILE 21 16.136 -12.353 -5.194 155 1HD1 ILE 21 HD11 ILE 21 19.767 -11.523 -5.365 156 2HD1 ILE 21 HD12 ILE 21 21.122 -12.501 -4.813 157 3HD1 ILE 21 HD13 ILE 21 20.625 -12.560 -6.500 158 H SER 22 HN SER 22 15.061 -14.775 -5.304 159 HA SER 22 HA SER 22 13.710 -13.940 -7.837 160 1HB SER 22 HB2 SER 22 13.255 -16.331 -7.092 161 2HB SER 22 HB1 SER 22 12.523 -15.682 -5.611 162 HG SER 22 HG SER 22 11.803 -14.969 -8.273 163 H CYS 23 HN CYS 23 12.213 -12.416 -7.796 164 HA CYS 23 HA CYS 23 11.198 -11.323 -5.227 165 1HB CYS 23 HB2 CYS 23 12.911 -9.889 -7.279 166 2HB CYS 23 HB1 CYS 23 11.708 -8.985 -6.399 167 NH1 ARG 24 NH2 ARG 24 7.591 -16.799 -6.022 168 NH2 ARG 24 NH1 ARG 24 9.856 -16.928 -5.975 169 H ARG 24 HN ARG 24 9.072 -11.782 -5.736 170 HA ARG 24 HA ARG 24 8.083 -10.839 -8.398 171 1HB ARG 24 HB2 ARG 24 7.117 -12.970 -6.457 172 2HB ARG 24 HB1 ARG 24 6.095 -12.387 -7.767 173 1HG ARG 24 HG1 ARG 24 7.433 -13.326 -9.413 174 2HG ARG 24 HG2 ARG 24 8.898 -13.210 -8.444 175 1HD ARG 24 HD1 ARG 24 6.765 -14.982 -7.368 176 2HD ARG 24 HD2 ARG 24 7.560 -15.546 -8.836 177 HE ARG 24 HE ARG 24 9.690 -14.831 -7.239 178 1HH1 ARG 24 HH21 ARG 24 6.768 -16.343 -6.351 179 2HH1 ARG 24 HH22 ARG 24 7.517 -17.591 -5.418 180 1HH2 ARG 24 HH11 ARG 24 10.740 -16.570 -6.271 181 2HH2 ARG 24 HH12 ARG 24 9.814 -17.718 -5.364 182 H SER 25 HN SER 25 6.233 -9.615 -8.556 183 HA SER 25 HA SER 25 5.334 -8.346 -5.999 184 1HB SER 25 HB2 SER 25 4.811 -6.336 -7.458 185 2HB SER 25 HB1 SER 25 6.526 -6.778 -7.554 186 HG SER 25 HG SER 25 4.433 -7.517 -9.332 187 H SER 26 HN SER 26 3.176 -8.206 -5.584 188 HA SER 26 HA SER 26 1.370 -10.055 -6.657 189 1HB SER 26 HB2 SER 26 1.026 -7.403 -5.219 190 2HB SER 26 HB1 SER 26 -0.405 -8.291 -5.780 191 HG SER 26 HG SER 26 0.160 -9.077 -3.754 192 H GLN 27 HN GLN 27 1.366 -6.566 -7.414 193 HA GLN 27 HA GLN 27 -0.148 -7.193 -9.883 194 1HB GLN 27 HB2 GLN 27 -0.467 -5.206 -7.990 195 2HB GLN 27 HB1 GLN 27 0.494 -4.363 -9.201 196 1HG GLN 27 HG1 GLN 27 -1.624 -3.998 -10.072 197 2HG GLN 27 HG2 GLN 27 -1.246 -5.523 -10.862 198 1HE2 GLN 27 HE22 GLN 27 -3.785 -7.299 -9.195 199 2HE2 GLN 27 HE21 GLN 27 -2.553 -7.321 -10.361 200 H SER 28 HN SER 28 0.513 -6.296 -11.904 201 HA SER 28 HA SER 28 3.348 -6.544 -12.388 202 1HB SER 28 HB2 SER 28 1.309 -5.278 -14.279 203 2HB SER 28 HB1 SER 28 2.749 -6.223 -14.706 204 HG SER 28 HG SER 28 0.863 -7.523 -14.748 205 H LEU 29 HN LEU 29 4.901 -5.036 -12.508 206 HA LEU 29 HA LEU 29 4.206 -2.285 -11.730 207 1HB LEU 29 HB2 LEU 29 6.963 -3.367 -12.431 208 2HB LEU 29 HB1 LEU 29 6.585 -1.992 -11.401 209 HG LEU 29 HG LEU 29 5.652 -4.794 -10.736 210 1HD1 LEU 29 HD12 LEU 29 8.137 -4.747 -10.920 211 2HD1 LEU 29 HD13 LEU 29 8.179 -3.387 -9.803 212 3HD1 LEU 29 HD11 LEU 29 7.610 -4.961 -9.254 213 1HD2 LEU 29 HD23 LEU 29 6.027 -2.236 -9.144 214 2HD2 LEU 29 HD21 LEU 29 4.494 -2.996 -9.564 215 3HD2 LEU 29 HD22 LEU 29 5.589 -3.789 -8.437 216 H VAL 30 HN VAL 30 3.358 -3.177 -14.344 217 HA VAL 30 HA VAL 30 5.147 -1.735 -16.212 218 HB VAL 30 HB VAL 30 2.496 -3.178 -16.707 219 1HG1 VAL 30 HG13 VAL 30 4.669 -2.110 -18.538 220 2HG1 VAL 30 HG11 VAL 30 3.453 -3.265 -19.073 221 3HG1 VAL 30 HG12 VAL 30 2.965 -1.664 -18.527 222 1HG2 VAL 30 HG21 VAL 30 4.426 -4.580 -15.778 223 2HG2 VAL 30 HG22 VAL 30 3.802 -5.098 -17.340 224 3HG2 VAL 30 HG23 VAL 30 5.305 -4.186 -17.251 225 H HIS 31 HN HIS 31 4.904 0.370 -16.480 226 HA HIS 31 HA HIS 31 2.577 1.800 -15.515 227 1HB HIS 31 HB2 HIS 31 5.079 2.594 -15.800 228 2HB HIS 31 HB1 HIS 31 4.600 2.956 -17.456 229 HD2 HIS 31 HD2 HIS 31 4.453 4.539 -14.000 230 HE1 HIS 31 HE1 HIS 31 1.661 6.553 -16.294 231 H SER 32 HN SER 32 1.277 3.253 -16.836 232 HA SER 32 HA SER 32 -0.014 1.876 -18.982 233 1HB SER 32 HB2 SER 32 -0.983 3.757 -17.490 234 2HB SER 32 HB1 SER 32 -0.107 4.898 -18.529 235 HG SER 32 HG SER 32 -1.108 3.622 -20.312 236 H ASN 33 HN ASN 33 2.709 4.011 -18.930 237 HA ASN 33 HA ASN 33 2.545 4.573 -21.816 238 1HB ASN 33 HB2 ASN 33 4.788 5.703 -21.373 239 2HB ASN 33 HB1 ASN 33 3.482 6.312 -20.361 240 1HD2 ASN 33 HD22 ASN 33 5.251 5.538 -17.440 241 2HD2 ASN 33 HD21 ASN 33 4.150 6.550 -18.242 242 H GLY 34 HN GLY 34 3.592 2.010 -19.948 243 1HA GLY 34 HA1 GLY 34 4.457 -0.029 -20.901 244 2HA GLY 34 HA2 GLY 34 5.093 0.898 -22.254 245 H ASN 35 HN ASN 35 5.567 1.700 -18.852 246 HA ASN 35 HA ASN 35 8.470 1.071 -19.234 247 1HB ASN 35 HB2 ASN 35 7.055 3.380 -17.867 248 2HB ASN 35 HB1 ASN 35 8.681 2.930 -17.372 249 1HD2 ASN 35 HD22 ASN 35 9.612 5.249 -19.918 250 2HD2 ASN 35 HD21 ASN 35 9.372 5.069 -18.247 251 H THR 36 HN THR 36 9.198 -0.481 -17.963 252 HA THR 36 HA THR 36 7.655 -1.156 -15.512 253 HB THR 36 HB THR 36 9.762 -2.694 -17.136 254 HG1 THR 36 HG1 THR 36 7.060 -3.219 -16.429 255 1HG2 THR 36 HG23 THR 36 8.164 -3.534 -14.649 256 2HG2 THR 36 HG21 THR 36 9.218 -4.589 -15.585 257 3HG2 THR 36 HG22 THR 36 9.904 -3.263 -14.652 258 OH TYR 37 OH TYR 37 8.571 5.682 -16.456 259 H TYR 37 HN TYR 37 8.359 0.279 -14.013 260 HA TYR 37 HA TYR 37 11.205 0.830 -13.636 261 1HB TYR 37 HB2 TYR 37 8.765 1.535 -11.937 262 2HB TYR 37 HB1 TYR 37 10.375 2.216 -11.724 263 HD1 TYR 37 HD2 TYR 37 11.417 3.053 -14.116 264 HD2 TYR 37 HD1 TYR 37 7.281 2.881 -13.143 265 HE1 TYR 37 HE2 TYR 37 10.941 4.708 -15.858 266 HE2 TYR 37 HE1 TYR 37 6.804 4.541 -14.883 267 HH TYR 37 HH TYR 37 8.537 6.544 -16.033 268 H LEU 38 HN LEU 38 12.380 -0.806 -12.908 269 HA LEU 38 HA LEU 38 11.818 -1.852 -10.204 270 1HB LEU 38 HB2 LEU 38 10.696 -3.469 -11.745 271 2HB LEU 38 HB1 LEU 38 12.185 -3.634 -12.665 272 HG LEU 38 HG LEU 38 12.870 -4.115 -9.946 273 1HD1 LEU 38 HD13 LEU 38 10.403 -5.636 -10.840 274 2HD1 LEU 38 HD11 LEU 38 11.357 -5.999 -9.405 275 3HD1 LEU 38 HD12 LEU 38 10.469 -4.480 -9.513 276 1HD2 LEU 38 HD23 LEU 38 12.575 -5.794 -12.441 277 2HD2 LEU 38 HD21 LEU 38 14.055 -5.241 -11.661 278 3HD2 LEU 38 HD22 LEU 38 13.093 -6.517 -10.921 279 H ASN 39 HN ASN 39 13.703 -2.562 -9.143 280 HA ASN 39 HA ASN 39 16.214 -2.624 -10.713 281 1HB ASN 39 HB2 ASN 39 16.885 -0.551 -10.028 282 2HB ASN 39 HB1 ASN 39 15.343 -0.332 -9.211 283 1HD2 ASN 39 HD22 ASN 39 18.686 -1.087 -7.050 284 2HD2 ASN 39 HD21 ASN 39 18.729 -0.978 -8.743 285 CH2 TRP 40 CH2 TRP 40 15.818 -10.105 -7.352 286 H TRP 40 HN TRP 40 18.056 -3.352 -9.496 287 HA TRP 40 HA TRP 40 17.308 -5.091 -7.176 288 1HB TRP 40 HB2 TRP 40 19.149 -5.538 -9.557 289 2HB TRP 40 HB1 TRP 40 19.339 -6.480 -8.083 290 HD1 TRP 40 HD1 TRP 40 16.990 -6.034 -11.088 291 HE1 TRP 40 HE1 TRP 40 15.347 -7.951 -10.974 292 HE3 TRP 40 HE3 TRP 40 18.209 -7.843 -6.639 293 HZ2 TRP 40 HZ2 TRP 40 14.648 -10.138 -9.136 294 HZ3 TRP 40 HZ3 TRP 40 17.121 -9.829 -5.681 295 HH2 TRP 40 HH2 TRP 40 15.346 -10.983 -6.937 296 OH TYR 41 OH TYR 41 18.876 2.060 -6.174 297 H TYR 41 HN TYR 41 18.939 -5.350 -5.554 298 HA TYR 41 HA TYR 41 21.226 -3.444 -5.739 299 1HB TYR 41 HB2 TYR 41 19.014 -3.537 -3.672 300 2HB TYR 41 HB1 TYR 41 20.617 -2.999 -3.183 301 HD1 TYR 41 HD2 TYR 41 21.668 -1.369 -5.227 302 HD2 TYR 41 HD1 TYR 41 17.576 -1.765 -4.129 303 HE1 TYR 41 HE2 TYR 41 21.208 0.861 -6.132 304 HE2 TYR 41 HE1 TYR 41 17.120 0.467 -5.037 305 HH TYR 41 HH TYR 41 18.029 2.022 -6.624 306 H LEU 42 HN LEU 42 22.851 -3.781 -4.079 307 HA LEU 42 HA LEU 42 22.836 -6.428 -2.754 308 1HB LEU 42 HB2 LEU 42 23.860 -6.962 -4.899 309 2HB LEU 42 HB1 LEU 42 24.854 -5.515 -4.859 310 HG LEU 42 HG LEU 42 26.106 -6.397 -2.930 311 1HD1 LEU 42 HD11 LEU 42 23.936 -8.459 -3.054 312 2HD1 LEU 42 HD12 LEU 42 25.533 -8.985 -2.535 313 3HD1 LEU 42 HD13 LEU 42 24.693 -7.718 -1.647 314 1HD2 LEU 42 HD22 LEU 42 25.812 -8.105 -5.395 315 2HD2 LEU 42 HD23 LEU 42 27.149 -7.060 -4.928 316 3HD2 LEU 42 HD21 LEU 42 26.912 -8.603 -4.114 317 H GLN 43 HN GLN 43 22.993 -5.591 -0.749 318 HA GLN 43 HA GLN 43 25.075 -3.544 -0.199 319 1HB GLN 43 HB2 GLN 43 22.508 -3.679 0.666 320 2HB GLN 43 HB1 GLN 43 23.268 -4.603 1.958 321 1HG GLN 43 HG1 GLN 43 24.943 -2.684 2.183 322 2HG GLN 43 HG2 GLN 43 23.910 -1.761 1.097 323 1HE2 GLN 43 HE22 GLN 43 21.304 -1.347 3.520 324 2HE2 GLN 43 HE21 GLN 43 21.616 -1.401 1.852 325 H LYS 44 HN LYS 44 26.755 -3.861 1.178 326 HA LYS 44 HA LYS 44 27.365 -6.696 1.824 327 1HB LYS 44 HB2 LYS 44 28.893 -4.667 0.701 328 2HB LYS 44 HB1 LYS 44 29.405 -4.599 2.382 329 1HG LYS 44 HG1 LYS 44 30.847 -6.253 1.662 330 2HG LYS 44 HG2 LYS 44 29.464 -7.274 2.045 331 1HD LYS 44 HD1 LYS 44 28.707 -6.797 -0.402 332 2HD LYS 44 HD2 LYS 44 30.363 -6.263 -0.659 333 1HE LYS 44 HE1 LYS 44 29.967 -8.891 0.713 334 2HE LYS 44 HE2 LYS 44 29.632 -8.818 -1.013 335 1HZ LYS 44 HZ1 LYS 44 32.140 -8.762 0.352 336 2HZ LYS 44 HZ2 LYS 44 31.797 -9.080 -1.284 337 H ALA 45 HN ALA 45 29.363 -5.755 3.831 338 HA ALA 45 HA ALA 45 27.635 -5.959 6.158 339 1HB ALA 45 HB1 ALA 45 30.625 -5.384 5.885 340 2HB ALA 45 HB2 ALA 45 29.817 -5.775 7.401 341 3HB ALA 45 HB3 ALA 45 29.900 -6.972 6.112 342 H GLY 46 HN GLY 46 29.926 -3.452 5.091 343 1HA GLY 46 HA1 GLY 46 28.129 -1.386 6.255 344 2HA GLY 46 HA2 GLY 46 29.806 -1.430 6.800 345 H GLN 47 HN GLN 47 28.583 -2.104 3.576 346 HA GLN 47 HA GLN 47 30.209 0.192 2.569 347 1HB GLN 47 HB2 GLN 47 30.360 -2.507 1.925 348 2HB GLN 47 HB1 GLN 47 29.321 -1.895 0.647 349 1HG GLN 47 HG1 GLN 47 31.464 -1.551 -0.260 350 2HG GLN 47 HG2 GLN 47 31.126 0.018 0.465 351 1HE2 GLN 47 HE22 GLN 47 33.880 -0.198 2.624 352 2HE2 GLN 47 HE21 GLN 47 32.735 0.771 1.831 353 H SER 48 HN SER 48 29.390 1.046 0.436 354 HA SER 48 HA SER 48 26.651 1.924 0.796 355 1HB SER 48 HB2 SER 48 28.347 3.434 -0.214 356 2HB SER 48 HB1 SER 48 28.598 2.288 -1.545 357 HG SER 48 HG SER 48 27.001 4.018 -1.916 358 HA PRO 49 HA PRO 49 24.554 -1.306 -1.303 359 1HB PRO 49 HB2 PRO 49 22.540 0.566 -2.284 360 2HB PRO 49 HB1 PRO 49 22.384 -0.610 -0.979 361 1HG PRO 49 HG1 PRO 49 22.628 2.252 -0.742 362 2HG PRO 49 HG2 PRO 49 22.504 1.075 0.565 363 1HD PRO 49 HD1 PRO 49 24.828 2.585 -0.225 364 2HD PRO 49 HD2 PRO 49 24.711 1.376 1.067 365 H LYS 50 HN LYS 50 25.645 -1.937 -3.074 366 HA LYS 50 HA LYS 50 26.103 -0.133 -5.325 367 1HB LYS 50 HB2 LYS 50 26.713 -3.053 -4.749 368 2HB LYS 50 HB1 LYS 50 27.050 -2.344 -6.325 369 1HG LYS 50 HG1 LYS 50 27.984 -0.631 -4.152 370 2HG LYS 50 HG2 LYS 50 28.711 -2.231 -4.065 371 1HD LYS 50 HD1 LYS 50 28.589 -1.048 -6.786 372 2HD LYS 50 HD2 LYS 50 29.649 -0.215 -5.656 373 1HE LYS 50 HE1 LYS 50 29.756 -3.219 -5.885 374 2HE LYS 50 HE2 LYS 50 30.609 -2.215 -7.052 375 1HZ LYS 50 HZ1 LYS 50 31.432 -2.919 -4.494 376 2HZ LYS 50 HZ2 LYS 50 32.207 -1.874 -5.588 377 H LEU 51 HN LEU 51 25.242 -0.238 -7.334 378 HA LEU 51 HA LEU 51 22.628 -1.644 -7.549 379 1HB LEU 51 HB2 LEU 51 22.473 0.718 -8.032 380 2HB LEU 51 HB1 LEU 51 23.938 0.693 -9.001 381 HG LEU 51 HG LEU 51 22.682 -0.886 -10.600 382 1HD1 LEU 51 HD12 LEU 51 20.346 0.172 -8.966 383 2HD1 LEU 51 HD13 LEU 51 20.206 -0.747 -10.461 384 3HD1 LEU 51 HD11 LEU 51 20.878 -1.505 -9.022 385 1HD2 LEU 51 HD22 LEU 51 23.070 1.641 -10.874 386 2HD2 LEU 51 HD23 LEU 51 21.734 0.955 -11.793 387 3HD2 LEU 51 HD21 LEU 51 21.415 1.848 -10.309 388 H LEU 52 HN LEU 52 22.225 -3.160 -9.084 389 HA LEU 52 HA LEU 52 24.501 -3.870 -10.904 390 1HB LEU 52 HB2 LEU 52 22.433 -5.630 -9.505 391 2HB LEU 52 HB1 LEU 52 23.500 -6.230 -10.769 392 HG LEU 52 HG LEU 52 24.658 -4.781 -8.389 393 1HD1 LEU 52 HD12 LEU 52 23.812 -7.691 -8.551 394 2HD1 LEU 52 HD13 LEU 52 24.955 -7.079 -7.359 395 3HD1 LEU 52 HD11 LEU 52 23.292 -6.498 -7.365 396 1HD2 LEU 52 HD21 LEU 52 25.640 -6.956 -10.271 397 2HD2 LEU 52 HD22 LEU 52 26.136 -5.268 -10.284 398 3HD2 LEU 52 HD23 LEU 52 26.572 -6.303 -8.929 399 H ILE 53 HN ILE 53 20.977 -4.141 -10.546 400 HA ILE 53 HA ILE 53 20.756 -3.710 -13.502 401 HB ILE 53 HB ILE 53 18.937 -5.404 -11.737 402 1HG1 ILE 53 HG11 ILE 53 21.382 -6.225 -12.253 403 2HG1 ILE 53 HG12 ILE 53 20.027 -7.334 -12.400 404 1HG2 ILE 53 HG23 ILE 53 19.075 -4.824 -14.717 405 2HG2 ILE 53 HG21 ILE 53 18.212 -6.221 -14.088 406 3HG2 ILE 53 HG22 ILE 53 17.701 -4.600 -13.640 407 1HD1 ILE 53 HD11 ILE 53 21.056 -5.698 -14.724 408 2HD1 ILE 53 HD12 ILE 53 21.642 -7.320 -14.365 409 3HD1 ILE 53 HD13 ILE 53 19.949 -7.065 -14.777 410 OH TYR 54 OH TYR 54 20.975 0.560 -18.389 411 H TYR 54 HN TYR 54 19.310 -2.148 -14.110 412 HA TYR 54 HA TYR 54 17.614 -0.993 -11.929 413 1HB TYR 54 HB2 TYR 54 17.944 1.230 -13.108 414 2HB TYR 54 HB1 TYR 54 19.436 0.557 -12.462 415 HD1 TYR 54 HD2 TYR 54 21.100 -0.470 -13.986 416 HD2 TYR 54 HD1 TYR 54 17.581 1.371 -15.509 417 HE1 TYR 54 HE2 TYR 54 22.096 -0.404 -16.224 418 HE2 TYR 54 HE1 TYR 54 18.587 1.443 -17.745 419 HH TYR 54 HH TYR 54 20.380 0.108 -18.993 420 H LYS 55 HN LYS 55 17.007 -2.960 -14.141 421 HA LYS 55 HA LYS 55 14.356 -2.179 -14.667 422 1HB LYS 55 HB2 LYS 55 16.243 -0.767 -16.320 423 2HB LYS 55 HB1 LYS 55 15.393 -1.904 -17.358 424 1HG LYS 55 HG1 LYS 55 13.225 -1.061 -16.545 425 2HG LYS 55 HG2 LYS 55 14.050 0.046 -15.454 426 1HD LYS 55 HD1 LYS 55 14.845 1.393 -17.213 427 2HD LYS 55 HD2 LYS 55 14.655 0.113 -18.406 428 1HE LYS 55 HE1 LYS 55 12.198 1.067 -16.987 429 2HE LYS 55 HE2 LYS 55 12.891 2.120 -18.214 430 1HZ LYS 55 HZ1 LYS 55 11.596 0.868 -19.542 431 2HZ LYS 55 HZ2 LYS 55 12.936 -0.176 -19.516 432 H VAL 56 HN VAL 56 14.370 -4.412 -14.096 433 HA VAL 56 HA VAL 56 14.168 -6.683 -14.577 434 HB VAL 56 HB VAL 56 13.978 -5.637 -17.445 435 1HG1 VAL 56 HG12 VAL 56 13.424 -8.269 -16.113 436 2HG1 VAL 56 HG13 VAL 56 12.365 -7.760 -17.424 437 3HG1 VAL 56 HG11 VAL 56 14.091 -7.947 -17.710 438 1HG2 VAL 56 HG22 VAL 56 11.920 -5.945 -15.237 439 2HG2 VAL 56 HG23 VAL 56 12.337 -4.480 -16.119 440 3HG2 VAL 56 HG21 VAL 56 11.480 -5.783 -16.934 441 H SER 57 HN SER 57 15.725 -5.912 -17.655 442 HA SER 57 HA SER 57 18.085 -7.518 -16.740 443 1HB SER 57 HB2 SER 57 16.563 -8.645 -18.475 444 2HB SER 57 HB1 SER 57 17.006 -7.347 -19.601 445 HG SER 57 HG SER 57 19.154 -7.907 -19.370 446 H ASN 58 HN ASN 58 18.015 -4.773 -16.409 447 HA ASN 58 HA ASN 58 19.784 -3.771 -18.601 448 1HB ASN 58 HB2 ASN 58 17.820 -2.477 -16.713 449 2HB ASN 58 HB1 ASN 58 19.172 -1.515 -17.295 450 1HD2 ASN 58 HD22 ASN 58 16.390 -2.836 -20.011 451 2HD2 ASN 58 HD21 ASN 58 16.609 -3.696 -18.566 452 NH1 ARG 59 NH1 ARG 59 26.840 -6.814 -18.361 453 NH2 ARG 59 NH2 ARG 59 25.874 -8.196 -19.887 454 H ARG 59 HN ARG 59 21.798 -4.373 -17.949 455 HA ARG 59 HA ARG 59 22.661 -4.036 -15.169 456 1HB ARG 59 HB2 ARG 59 24.133 -4.793 -17.735 457 2HB ARG 59 HB1 ARG 59 24.890 -4.782 -16.147 458 1HG ARG 59 HG1 ARG 59 23.264 -6.439 -15.335 459 2HG ARG 59 HG2 ARG 59 22.446 -6.424 -16.893 460 1HD ARG 59 HD1 ARG 59 25.313 -7.283 -16.381 461 2HD ARG 59 HD2 ARG 59 23.968 -8.344 -16.787 462 HE ARG 59 HE ARG 59 23.906 -6.772 -18.943 463 1HH1 ARG 59 HH11 ARG 59 26.740 -6.196 -17.582 464 2HH1 ARG 59 HH12 ARG 59 27.745 -6.998 -18.739 465 1HH2 ARG 59 HH21 ARG 59 25.046 -8.618 -20.257 466 2HH2 ARG 59 HH22 ARG 59 26.764 -8.404 -20.291 467 H PHE 60 HN PHE 60 23.880 -2.399 -14.354 468 HA PHE 60 HA PHE 60 24.003 0.090 -15.828 469 1HB PHE 60 HB2 PHE 60 23.774 0.076 -13.371 470 2HB PHE 60 HB1 PHE 60 25.293 -0.796 -13.202 471 HD1 PHE 60 HD2 PHE 60 23.893 2.385 -14.592 472 HD2 PHE 60 HD1 PHE 60 27.302 0.414 -12.968 473 HE1 PHE 60 HE2 PHE 60 25.119 4.513 -14.575 474 HE2 PHE 60 HE1 PHE 60 28.522 2.544 -12.949 475 HZ PHE 60 HZ PHE 60 27.433 4.595 -13.752 476 H SER 61 HN SER 61 25.936 1.285 -16.354 477 HA SER 61 HA SER 61 27.817 -0.201 -17.879 478 1HB SER 61 HB2 SER 61 29.178 2.040 -17.702 479 2HB SER 61 HB1 SER 61 27.545 2.167 -18.381 480 HG SER 61 HG SER 61 28.226 2.451 -15.635 481 H GLY 62 HN GLY 62 29.207 -1.612 -17.083 482 1HA GLY 62 HA1 GLY 62 31.461 -1.726 -15.947 483 2HA GLY 62 HA2 GLY 62 30.705 -0.895 -14.589 484 H VAL 63 HN VAL 63 28.209 -2.469 -15.087 485 HA VAL 63 HA VAL 63 28.746 -4.603 -13.236 486 HB VAL 63 HB VAL 63 26.368 -4.053 -15.074 487 1HG1 VAL 63 HG13 VAL 63 26.457 -6.423 -14.272 488 2HG1 VAL 63 HG11 VAL 63 26.543 -5.834 -12.615 489 3HG1 VAL 63 HG12 VAL 63 25.102 -5.539 -13.580 490 1HG2 VAL 63 HG22 VAL 63 26.947 -2.281 -13.380 491 2HG2 VAL 63 HG23 VAL 63 25.369 -3.014 -13.110 492 3HG2 VAL 63 HG21 VAL 63 26.742 -3.488 -12.115 493 HA PRO 64 HA PRO 64 30.367 -7.511 -16.141 494 1HB PRO 64 HB2 PRO 64 29.763 -9.672 -14.299 495 2HB PRO 64 HB1 PRO 64 31.334 -8.944 -14.634 496 1HG PRO 64 HG1 PRO 64 29.705 -8.626 -12.268 497 2HG PRO 64 HG2 PRO 64 31.284 -7.911 -12.594 498 1HD PRO 64 HD1 PRO 64 28.728 -6.583 -12.557 499 2HD PRO 64 HD2 PRO 64 30.311 -5.874 -12.925 500 H ASP 65 HN ASP 65 29.701 -9.597 -17.120 501 HA ASP 65 HA ASP 65 26.890 -9.481 -17.889 502 1HB ASP 65 HB2 ASP 65 27.622 -11.501 -19.308 503 2HB ASP 65 HB1 ASP 65 28.556 -10.033 -19.584 504 NH1 ARG 66 NH2 ARG 66 32.040 -11.633 -16.211 505 NH2 ARG 66 NH1 ARG 66 33.630 -11.737 -14.588 506 H ARG 66 HN ARG 66 28.781 -11.332 -15.663 507 HA ARG 66 HA ARG 66 27.295 -13.710 -15.449 508 1HB ARG 66 HB2 ARG 66 28.584 -12.052 -13.229 509 2HB ARG 66 HB1 ARG 66 28.113 -13.739 -13.068 510 1HG ARG 66 HG1 ARG 66 29.820 -14.493 -14.454 511 2HG ARG 66 HG2 ARG 66 29.885 -12.993 -15.370 512 1HD ARG 66 HD1 ARG 66 30.584 -12.768 -12.487 513 2HD ARG 66 HD2 ARG 66 31.729 -13.664 -13.484 514 HE ARG 66 HE ARG 66 31.128 -10.788 -13.709 515 1HH1 ARG 66 HH21 ARG 66 31.073 -11.588 -16.461 516 2HH1 ARG 66 HH22 ARG 66 32.738 -11.650 -16.925 517 1HH2 ARG 66 HH11 ARG 66 33.858 -11.768 -13.615 518 2HH2 ARG 66 HH12 ARG 66 34.356 -11.757 -15.273 519 H PHE 67 HN PHE 67 26.647 -10.560 -13.961 520 HA PHE 67 HA PHE 67 24.288 -11.566 -12.549 521 1HB PHE 67 HB2 PHE 67 25.384 -8.758 -13.066 522 2HB PHE 67 HB1 PHE 67 23.946 -9.066 -12.097 523 HD1 PHE 67 HD2 PHE 67 27.565 -9.985 -12.352 524 HD2 PHE 67 HD1 PHE 67 24.162 -9.636 -9.815 525 HE1 PHE 67 HE2 PHE 67 28.966 -10.494 -10.400 526 HE2 PHE 67 HE1 PHE 67 25.566 -10.137 -7.871 527 HZ PHE 67 HZ PHE 67 27.968 -10.567 -8.156 528 H SER 68 HN SER 68 22.520 -12.075 -13.659 529 HA SER 68 HA SER 68 21.628 -10.187 -15.797 530 1HB SER 68 HB2 SER 68 22.366 -12.093 -17.055 531 2HB SER 68 HB1 SER 68 21.778 -13.233 -15.829 532 HG SER 68 HG SER 68 19.686 -12.689 -16.342 533 H GLY 69 HN GLY 69 19.775 -9.305 -15.220 534 1HA GLY 69 HA1 GLY 69 17.950 -10.785 -13.392 535 2HA GLY 69 HA2 GLY 69 17.899 -9.049 -13.690 536 H SER 70 HN SER 70 16.087 -11.635 -14.147 537 HA SER 70 HA SER 70 14.779 -10.454 -16.505 538 1HB SER 70 HB2 SER 70 16.584 -12.157 -17.312 539 2HB SER 70 HB1 SER 70 15.532 -13.409 -16.621 540 HG SER 70 HG SER 70 15.235 -12.149 -18.924 541 H GLY 71 HN GLY 71 12.664 -11.284 -16.888 542 1HA GLY 71 HA1 GLY 71 11.314 -13.357 -15.657 543 2HA GLY 71 HA2 GLY 71 11.328 -12.102 -14.425 544 H SER 72 HN SER 72 8.912 -12.468 -14.889 545 HA SER 72 HA SER 72 7.964 -11.075 -17.321 546 1HB SER 72 HB2 SER 72 6.897 -13.238 -16.339 547 2HB SER 72 HB1 SER 72 6.222 -12.189 -15.076 548 HG SER 72 HG SER 72 5.605 -12.358 -17.756 549 H GLY 73 HN GLY 73 5.622 -9.949 -16.444 550 1HA GLY 73 HA1 GLY 73 6.514 -7.389 -15.481 551 2HA GLY 73 HA2 GLY 73 4.833 -7.874 -15.672 552 H THR 74 HN THR 74 5.387 -10.236 -13.877 553 HA THR 74 HA THR 74 5.407 -8.740 -11.285 554 HB THR 74 HB THR 74 3.846 -10.670 -10.516 555 HG1 THR 74 HG1 THR 74 2.955 -11.801 -12.273 556 1HG2 THR 74 HG21 THR 74 2.897 -8.974 -12.891 557 2HG2 THR 74 HG22 THR 74 1.841 -9.766 -11.727 558 3HG2 THR 74 HG23 THR 74 2.871 -8.434 -11.215 559 H ASP 75 HN ASP 75 7.449 -10.371 -12.896 560 HA ASP 75 HA ASP 75 8.473 -11.815 -10.523 561 1HB ASP 75 HB2 ASP 75 7.116 -13.342 -12.212 562 2HB ASP 75 HB1 ASP 75 8.549 -13.198 -13.223 563 H PHE 76 HN PHE 76 10.594 -11.605 -10.295 564 HA PHE 76 HA PHE 76 12.286 -10.964 -12.645 565 1HB PHE 76 HB2 PHE 76 12.421 -9.333 -10.068 566 2HB PHE 76 HB1 PHE 76 13.195 -8.966 -11.609 567 HD1 PHE 76 HD2 PHE 76 11.633 -8.527 -13.634 568 HD2 PHE 76 HD1 PHE 76 10.249 -8.504 -9.605 569 HE1 PHE 76 HE2 PHE 76 9.618 -7.311 -14.332 570 HE2 PHE 76 HE1 PHE 76 8.241 -7.273 -10.306 571 HZ PHE 76 HZ PHE 76 7.928 -6.669 -12.668 572 H THR 77 HN THR 77 14.075 -12.175 -12.565 573 HA THR 77 HA THR 77 14.971 -13.149 -9.884 574 HB THR 77 HB THR 77 15.365 -14.696 -12.492 575 HG1 THR 77 HG1 THR 77 13.298 -15.267 -10.719 576 1HG2 THR 77 HG22 THR 77 16.482 -15.367 -10.214 577 2HG2 THR 77 HG23 THR 77 14.847 -15.662 -9.631 578 3HG2 THR 77 HG21 THR 77 15.488 -16.605 -10.974 579 H LEU 78 HN LEU 78 17.018 -12.794 -9.349 580 HA LEU 78 HA LEU 78 18.807 -11.545 -11.358 581 1HB LEU 78 HB2 LEU 78 18.358 -11.002 -8.688 582 2HB LEU 78 HB1 LEU 78 19.784 -12.025 -8.573 583 HG LEU 78 HG LEU 78 20.904 -10.568 -10.290 584 1HD1 LEU 78 HD12 LEU 78 18.210 -9.292 -10.172 585 2HD1 LEU 78 HD13 LEU 78 19.591 -8.208 -10.308 586 3HD1 LEU 78 HD11 LEU 78 19.319 -9.445 -11.531 587 1HD2 LEU 78 HD23 LEU 78 19.853 -9.164 -7.806 588 2HD2 LEU 78 HD21 LEU 78 21.292 -10.175 -7.889 589 3HD2 LEU 78 HD22 LEU 78 21.245 -8.640 -8.750 590 H LYS 79 HN LYS 79 19.197 -13.421 -12.591 591 HA LYS 79 HA LYS 79 20.376 -15.781 -11.355 592 1HB LYS 79 HB2 LYS 79 20.114 -14.880 -14.255 593 2HB LYS 79 HB1 LYS 79 20.740 -16.452 -13.775 594 1HG LYS 79 HG1 LYS 79 18.406 -16.330 -12.324 595 2HG LYS 79 HG2 LYS 79 17.954 -15.462 -13.787 596 1HD LYS 79 HD1 LYS 79 19.245 -17.526 -14.932 597 2HD LYS 79 HD2 LYS 79 18.748 -18.325 -13.446 598 1HE LYS 79 HE1 LYS 79 16.931 -18.695 -14.919 599 2HE LYS 79 HE2 LYS 79 16.399 -17.339 -13.931 600 1HZ LYS 79 HZ1 LYS 79 17.809 -16.260 -16.053 601 2HZ LYS 79 HZ2 LYS 79 16.794 -17.449 -16.723 602 H ILE 80 HN ILE 80 22.439 -16.442 -11.333 603 HA ILE 80 HA ILE 80 24.522 -14.594 -12.404 604 HB ILE 80 HB ILE 80 24.620 -16.087 -9.735 605 1HG1 ILE 80 HG11 ILE 80 24.141 -13.141 -10.315 606 2HG1 ILE 80 HG12 ILE 80 22.991 -14.266 -9.598 607 1HG2 ILE 80 HG23 ILE 80 26.792 -15.518 -11.061 608 2HG2 ILE 80 HG21 ILE 80 26.416 -13.830 -10.729 609 3HG2 ILE 80 HG22 ILE 80 26.723 -14.944 -9.400 610 1HD1 ILE 80 HD13 ILE 80 24.889 -14.658 -7.817 611 2HD1 ILE 80 HD11 ILE 80 25.504 -13.113 -8.396 612 3HD1 ILE 80 HD12 ILE 80 23.890 -13.213 -7.699 613 H SER 81 HN SER 81 25.877 -15.543 -13.686 614 HA SER 81 HA SER 81 25.646 -18.280 -14.298 615 1HB SER 81 HB2 SER 81 28.051 -16.472 -14.828 616 2HB SER 81 HB1 SER 81 27.620 -17.936 -15.734 617 HG SER 81 HG SER 81 25.827 -16.963 -16.493 618 NH1 ARG 82 NH2 ARG 82 34.853 -18.717 -12.232 619 NH2 ARG 82 NH1 ARG 82 35.030 -18.714 -14.500 620 H ARG 82 HN ARG 82 28.397 -16.683 -12.684 621 HA ARG 82 HA ARG 82 28.824 -19.237 -11.206 622 1HB ARG 82 HB2 ARG 82 31.356 -18.654 -11.447 623 2HB ARG 82 HB1 ARG 82 30.546 -19.302 -12.867 624 1HG ARG 82 HG1 ARG 82 30.547 -17.255 -13.975 625 2HG ARG 82 HG2 ARG 82 30.555 -16.326 -12.482 626 1HD ARG 82 HD1 ARG 82 32.755 -16.302 -13.769 627 2HD ARG 82 HD2 ARG 82 32.887 -16.824 -12.089 628 HE ARG 82 HE ARG 82 32.457 -19.070 -13.883 629 1HH1 ARG 82 HH21 ARG 82 34.277 -18.632 -11.420 630 2HH1 ARG 82 HH22 ARG 82 35.832 -18.886 -12.135 631 1HH2 ARG 82 HH11 ARG 82 34.587 -18.626 -15.392 632 2HH2 ARG 82 HH12 ARG 82 36.012 -18.888 -14.446 633 H VAL 83 HN VAL 83 28.332 -18.708 -9.198 634 HA VAL 83 HA VAL 83 28.579 -16.102 -8.054 635 HB VAL 83 HB VAL 83 28.486 -18.854 -6.725 636 1HG1 VAL 83 HG12 VAL 83 28.452 -16.055 -5.664 637 2HG1 VAL 83 HG13 VAL 83 27.368 -17.219 -4.911 638 3HG1 VAL 83 HG11 VAL 83 29.102 -17.519 -4.932 639 1HG2 VAL 83 HG23 VAL 83 26.342 -16.847 -7.499 640 2HG2 VAL 83 HG21 VAL 83 26.526 -18.491 -8.103 641 3HG2 VAL 83 HG22 VAL 83 26.049 -18.217 -6.431 642 H GLU 84 HN GLU 84 30.165 -15.122 -6.929 643 HA GLU 84 HA GLU 84 32.750 -16.614 -6.646 644 1HB GLU 84 HB2 GLU 84 32.397 -13.597 -6.942 645 2HB GLU 84 HB1 GLU 84 33.895 -14.510 -7.084 646 1HG GLU 84 HG1 GLU 84 32.246 -15.736 -8.957 647 2HG GLU 84 HG2 GLU 84 31.801 -14.038 -9.095 648 H ALA 85 HN ALA 85 34.216 -15.418 -4.991 649 HA ALA 85 HA ALA 85 32.919 -15.616 -2.429 650 1HB ALA 85 HB1 ALA 85 35.640 -14.599 -3.350 651 2HB ALA 85 HB2 ALA 85 35.185 -14.605 -1.649 652 3HB ALA 85 HB3 ALA 85 35.279 -16.120 -2.541 653 H GLU 86 HN GLU 86 33.654 -12.945 -4.558 654 HA GLU 86 HA GLU 86 33.203 -10.867 -2.584 655 1HB GLU 86 HB2 GLU 86 33.061 -10.787 -5.640 656 2HB GLU 86 HB1 GLU 86 33.140 -9.372 -4.596 657 1HG GLU 86 HG1 GLU 86 35.326 -10.315 -3.672 658 2HG GLU 86 HG2 GLU 86 35.266 -11.507 -4.967 659 H ASP 87 HN ASP 87 31.206 -12.550 -4.932 660 HA ASP 87 HA ASP 87 28.908 -10.912 -4.902 661 1HB ASP 87 HB2 ASP 87 29.160 -13.953 -5.074 662 2HB ASP 87 HB1 ASP 87 27.685 -13.073 -5.451 663 H LEU 88 HN LEU 88 30.041 -13.210 -2.520 664 HA LEU 88 HA LEU 88 27.734 -13.724 -1.035 665 1HB LEU 88 HB2 LEU 88 30.476 -13.006 0.102 666 2HB LEU 88 HB1 LEU 88 29.233 -13.934 0.930 667 HG LEU 88 HG LEU 88 30.630 -14.756 -1.643 668 1HD1 LEU 88 HD13 LEU 88 31.975 -14.891 0.499 669 2HD1 LEU 88 HD11 LEU 88 30.753 -15.993 1.127 670 3HD1 LEU 88 HD12 LEU 88 31.708 -16.447 -0.281 671 1HD2 LEU 88 HD23 LEU 88 28.288 -15.820 -0.102 672 2HD2 LEU 88 HD21 LEU 88 28.557 -15.791 -1.842 673 3HD2 LEU 88 HD22 LEU 88 29.387 -16.980 -0.843 674 H GLY 89 HN GLY 89 26.470 -12.640 0.355 675 1HA GLY 89 HA1 GLY 89 26.860 -10.502 1.988 676 2HA GLY 89 HA2 GLY 89 26.724 -9.708 0.421 677 H ILE 90 HN ILE 90 24.785 -8.673 0.898 678 HA ILE 90 HA ILE 90 22.425 -10.501 1.143 679 HB ILE 90 HB ILE 90 22.524 -7.631 2.161 680 1HG1 ILE 90 HG11 ILE 90 23.186 -10.171 3.697 681 2HG1 ILE 90 HG12 ILE 90 24.317 -8.887 3.294 682 1HG2 ILE 90 HG23 ILE 90 20.323 -8.949 1.806 683 2HG2 ILE 90 HG21 ILE 90 20.870 -10.030 3.083 684 3HG2 ILE 90 HG22 ILE 90 20.569 -8.332 3.436 685 1HD1 ILE 90 HD11 ILE 90 22.693 -7.305 4.540 686 2HD1 ILE 90 HD12 ILE 90 21.963 -8.770 5.189 687 3HD1 ILE 90 HD13 ILE 90 23.652 -8.406 5.524 688 OH TYR 91 OH TYR 91 25.640 -10.604 -5.793 689 H TYR 91 HN TYR 91 21.194 -10.452 -0.601 690 HA TYR 91 HA TYR 91 21.408 -8.158 -2.467 691 1HB TYR 91 HB2 TYR 91 20.397 -11.005 -2.630 692 2HB TYR 91 HB1 TYR 91 19.873 -9.836 -3.841 693 HD1 TYR 91 HD1 TYR 91 21.506 -8.810 -5.369 694 HD2 TYR 91 HD2 TYR 91 22.751 -11.679 -2.485 695 HE1 TYR 91 HE1 TYR 91 23.655 -9.038 -6.525 696 HE2 TYR 91 HE2 TYR 91 24.905 -11.900 -3.635 697 HH TYR 91 HH TYR 91 25.789 -11.535 -5.977 698 H PHE 92 HN PHE 92 19.599 -7.077 -3.295 699 HA PHE 92 HA PHE 92 17.011 -7.462 -1.886 700 1HB PHE 92 HB2 PHE 92 18.697 -4.925 -1.932 701 2HB PHE 92 HB1 PHE 92 16.966 -4.876 -1.620 702 HD1 PHE 92 HD1 PHE 92 16.032 -5.959 0.408 703 HD2 PHE 92 HD2 PHE 92 20.234 -5.811 -0.275 704 HE1 PHE 92 HE1 PHE 92 16.438 -6.495 2.769 705 HE2 PHE 92 HE2 PHE 92 20.634 -6.349 2.087 706 HZ PHE 92 HZ PHE 92 18.738 -6.694 3.610 707 H CYS 93 HN CYS 93 15.384 -5.809 -2.784 708 HA CYS 93 HA CYS 93 15.811 -5.007 -5.576 709 1HB CYS 93 HB2 CYS 93 13.887 -6.362 -6.394 710 2HB CYS 93 HB1 CYS 93 15.194 -7.370 -5.838 711 H SER 94 HN SER 94 14.140 -3.589 -6.324 712 HA SER 94 HA SER 94 11.911 -2.988 -4.508 713 1HB SER 94 HB2 SER 94 12.592 -0.715 -3.964 714 2HB SER 94 HB1 SER 94 14.037 -1.702 -3.674 715 HG SER 94 HG SER 94 14.189 -1.248 -6.176 716 H GLN 95 HN GLN 95 10.346 -1.604 -5.396 717 HA GLN 95 HA GLN 95 10.594 -1.329 -8.360 718 1HB GLN 95 HB2 GLN 95 8.050 -1.271 -8.271 719 2HB GLN 95 HB1 GLN 95 8.739 -2.782 -7.698 720 1HG GLN 95 HG1 GLN 95 8.179 -2.358 -5.481 721 2HG GLN 95 HG2 GLN 95 8.274 -0.611 -5.679 722 1HE2 GLN 95 HE22 GLN 95 4.858 -0.272 -6.460 723 2HE2 GLN 95 HE21 GLN 95 6.340 0.500 -6.163 724 H THR 96 HN THR 96 9.940 0.550 -9.371 725 HA THR 96 HA THR 96 9.566 2.910 -7.562 726 HB THR 96 HB THR 96 10.668 3.660 -10.180 727 HG1 THR 96 HG1 THR 96 12.549 2.166 -8.874 728 1HG2 THR 96 HG21 THR 96 11.873 3.539 -7.356 729 2HG2 THR 96 HG22 THR 96 12.613 4.380 -8.715 730 3HG2 THR 96 HG23 THR 96 11.080 4.945 -8.060 731 H THR 97 HN THR 97 7.445 1.395 -8.540 732 HA THR 97 HA THR 97 6.311 3.081 -10.732 733 HB THR 97 HB THR 97 4.951 0.570 -9.684 734 HG1 THR 97 HG1 THR 97 7.029 0.504 -11.581 735 1HG2 THR 97 HG22 THR 97 5.379 1.990 -12.355 736 2HG2 THR 97 HG23 THR 97 4.919 0.290 -12.322 737 3HG2 THR 97 HG21 THR 97 3.851 1.505 -11.625 738 H HIS 98 HN HIS 98 5.192 1.490 -7.733 739 HA HIS 98 HA HIS 98 3.094 3.577 -7.492 740 1HB HIS 98 HB2 HIS 98 3.613 0.929 -6.076 741 2HB HIS 98 HB1 HIS 98 2.353 2.040 -5.552 742 HD2 HIS 98 HD2 HIS 98 3.250 -0.112 -8.746 743 HE1 HIS 98 HE1 HIS 98 -0.765 0.859 -8.864 744 H VAL 99 HN VAL 99 2.652 4.381 -5.253 745 HA VAL 99 HA VAL 99 5.173 4.803 -3.709 746 HB VAL 99 HB VAL 99 3.058 6.894 -4.427 747 1HG1 VAL 99 HG13 VAL 99 4.197 7.147 -2.163 748 2HG1 VAL 99 HG11 VAL 99 5.722 7.300 -3.030 749 3HG1 VAL 99 HG12 VAL 99 4.450 8.492 -3.269 750 1HG2 VAL 99 HG22 VAL 99 5.882 6.389 -5.410 751 2HG2 VAL 99 HG23 VAL 99 4.407 6.466 -6.369 752 3HG2 VAL 99 HG21 VAL 99 5.060 7.929 -5.640 753 HA PRO 100 HA PRO 100 5.809 5.615 -1.845 754 1HB PRO 100 HB2 PRO 100 6.364 3.842 0.344 755 2HB PRO 100 HB1 PRO 100 6.151 5.590 0.431 756 1HG PRO 100 HG1 PRO 100 4.344 3.519 1.362 757 2HG PRO 100 HG2 PRO 100 4.172 5.267 1.529 758 1HD PRO 100 HD1 PRO 100 2.736 3.500 -0.259 759 2HD PRO 100 HD2 PRO 100 2.536 5.251 -0.065 760 HA PRO 101 HA PRO 101 7.478 2.225 -4.061 761 1HB PRO 101 HB2 PRO 101 10.189 2.671 -3.147 762 2HB PRO 101 HB1 PRO 101 9.478 3.189 -4.675 763 1HG PRO 101 HG1 PRO 101 10.154 4.823 -2.373 764 2HG PRO 101 HG2 PRO 101 9.515 5.354 -3.930 765 1HD PRO 101 HD1 PRO 101 8.124 5.234 -1.414 766 2HD PRO 101 HD2 PRO 101 7.466 5.709 -2.990 767 H THR 102 HN THR 102 7.330 0.150 -3.440 768 HA THR 102 HA THR 102 8.059 -0.590 -0.671 769 HB THR 102 HB THR 102 6.982 -2.836 -1.394 770 HG1 THR 102 HG1 THR 102 7.580 -2.238 -3.643 771 1HG2 THR 102 HG21 THR 102 5.505 -0.183 -1.805 772 2HG2 THR 102 HG22 THR 102 4.673 -1.728 -1.939 773 3HG2 THR 102 HG23 THR 102 5.397 -1.248 -0.408 774 H PHE 103 HN PHE 103 9.867 -1.597 -0.141 775 HA PHE 103 HA PHE 103 11.746 -2.400 -2.273 776 1HB PHE 103 HB2 PHE 103 12.304 -2.700 0.688 777 2HB PHE 103 HB1 PHE 103 13.417 -2.251 -0.601 778 HD1 PHE 103 HD2 PHE 103 13.466 0.062 -1.457 779 HD2 PHE 103 HD1 PHE 103 10.828 -1.028 1.706 780 HE1 PHE 103 HE2 PHE 103 13.075 2.436 -0.961 781 HE2 PHE 103 HE1 PHE 103 10.438 1.347 2.195 782 HZ PHE 103 HZ PHE 103 11.560 3.080 0.863 783 H GLY 104 HN GLY 104 13.170 -4.400 -1.373 784 1HA GLY 104 HA1 GLY 104 11.261 -6.664 -1.371 785 2HA GLY 104 HA2 GLY 104 12.990 -6.777 -1.689 786 H GLY 105 HN GLY 105 12.393 -8.652 -0.111 787 1HA GLY 105 HA1 GLY 105 12.246 -7.868 2.715 788 2HA GLY 105 HA2 GLY 105 12.344 -9.515 2.103 789 H GLY 106 HN GLY 106 14.590 -9.818 0.846 790 1HA GLY 106 HA1 GLY 106 16.987 -8.818 1.113 791 2HA GLY 106 HA2 GLY 106 16.671 -9.020 2.834 792 H THR 107 HN THR 107 17.655 -10.536 -0.055 793 HA THR 107 HA THR 107 17.436 -13.263 1.098 794 HB THR 107 HB THR 107 18.298 -12.184 -1.645 795 HG1 THR 107 HG1 THR 107 16.173 -12.304 -1.626 796 1HG2 THR 107 HG21 THR 107 18.180 -15.033 -0.507 797 2HG2 THR 107 HG22 THR 107 18.108 -14.712 -2.237 798 3HG2 THR 107 HG23 THR 107 19.554 -14.290 -1.320 799 H LYS 108 HN LYS 108 19.063 -14.055 2.267 800 HA LYS 108 HA LYS 108 21.682 -12.717 2.241 801 1HB LYS 108 HB2 LYS 108 20.304 -14.812 3.908 802 2HB LYS 108 HB1 LYS 108 22.063 -14.783 3.934 803 1HG LYS 108 HG1 LYS 108 21.837 -12.245 4.382 804 2HG LYS 108 HG2 LYS 108 20.145 -12.583 4.735 805 1HD LYS 108 HD1 LYS 108 20.941 -14.348 6.380 806 2HD LYS 108 HD2 LYS 108 22.577 -13.753 6.127 807 1HE LYS 108 HE1 LYS 108 22.153 -11.728 7.187 808 2HE LYS 108 HE2 LYS 108 20.434 -11.770 6.813 809 1HZ LYS 108 HZ1 LYS 108 20.811 -12.166 9.147 810 2HZ LYS 108 HZ2 LYS 108 20.175 -13.564 8.419 811 H LEU 109 HN LEU 109 23.493 -13.433 1.327 812 HA LEU 109 HA LEU 109 23.467 -16.160 0.092 813 1HB LEU 109 HB2 LEU 109 23.368 -13.829 -1.335 814 2HB LEU 109 HB1 LEU 109 25.110 -13.980 -1.156 815 HG LEU 109 HG LEU 109 23.933 -16.548 -1.860 816 1HD1 LEU 109 HD11 LEU 109 23.294 -14.138 -3.584 817 2HD1 LEU 109 HD12 LEU 109 23.368 -15.768 -4.245 818 3HD1 LEU 109 HD13 LEU 109 22.184 -15.375 -3.002 819 1HD2 LEU 109 HD23 LEU 109 25.889 -14.666 -3.231 820 2HD2 LEU 109 HD21 LEU 109 26.305 -15.983 -2.139 821 3HD2 LEU 109 HD22 LEU 109 25.601 -16.335 -3.713 822 H GLU 110 HN GLU 110 24.688 -17.178 1.597 823 HA GLU 110 HA GLU 110 27.447 -16.094 2.004 824 1HB GLU 110 HB2 GLU 110 25.457 -17.342 3.891 825 2HB GLU 110 HB1 GLU 110 27.161 -17.676 4.170 826 1HG GLU 110 HG1 GLU 110 26.064 -14.866 3.810 827 2HG GLU 110 HG2 GLU 110 26.264 -15.626 5.386 828 H ILE 111 HN ILE 111 29.128 -17.462 1.797 829 HA ILE 111 HA ILE 111 28.814 -19.790 0.178 830 HB ILE 111 HB ILE 111 30.887 -18.449 0.218 831 1HG1 ILE 111 HG11 ILE 111 31.413 -21.245 1.290 832 2HG1 ILE 111 HG12 ILE 111 31.001 -20.886 -0.383 833 1HG2 ILE 111 HG21 ILE 111 30.564 -18.176 2.817 834 2HG2 ILE 111 HG22 ILE 111 31.479 -19.673 2.926 835 3HG2 ILE 111 HG23 ILE 111 32.207 -18.248 2.189 836 1HD1 ILE 111 HD11 ILE 111 32.997 -19.247 -0.339 837 2HD1 ILE 111 HD12 ILE 111 33.472 -20.055 1.152 838 3HD1 ILE 111 HD13 ILE 111 33.381 -20.965 -0.353 839 H LYS 112 HN LYS 112 29.005 -21.962 0.636 840 HA LYS 112 HA LYS 112 27.914 -22.835 3.142 841 1HB LYS 112 HB2 LYS 112 27.865 -23.986 0.799 842 2HB LYS 112 HB1 LYS 112 29.471 -24.585 1.196 843 1HG LYS 112 HG1 LYS 112 27.421 -24.941 3.315 844 2HG LYS 112 HG2 LYS 112 27.166 -25.889 1.855 845 1HD LYS 112 HD1 LYS 112 29.013 -27.196 2.225 846 2HD LYS 112 HD2 LYS 112 29.961 -25.856 2.856 847 1HE LYS 112 HE1 LYS 112 29.600 -27.268 4.735 848 2HE LYS 112 HE2 LYS 112 28.433 -25.966 4.927 849 1HZ LYS 112 HZ1 LYS 112 26.912 -27.551 5.057 850 2HZ LYS 112 HZ2 LYS 112 27.137 -27.810 3.393 851 NH1 ARG 113 NH2 ARG 113 31.198 -17.494 9.324 852 NH2 ARG 113 NH1 ARG 113 30.082 -16.656 7.526 853 H ARG 113 HN ARG 113 29.024 -22.636 4.975 854 HA ARG 113 HA ARG 113 31.945 -22.925 5.034 855 1HB ARG 113 HB2 ARG 113 29.790 -22.310 7.092 856 2HB ARG 113 HB1 ARG 113 31.451 -22.610 7.589 857 1HG ARG 113 HG1 ARG 113 32.268 -20.713 6.428 858 2HG ARG 113 HG2 ARG 113 30.826 -20.594 5.424 859 1HD ARG 113 HD1 ARG 113 29.514 -19.736 7.212 860 2HD ARG 113 HD2 ARG 113 30.672 -20.272 8.430 861 HE ARG 113 HE ARG 113 32.028 -18.436 6.754 862 1HH1 ARG 113 HH21 ARG 113 31.785 -18.204 9.711 863 2HH1 ARG 113 HH22 ARG 113 30.886 -16.737 9.896 864 1HH2 ARG 113 HH11 ARG 113 29.829 -16.737 6.561 865 2HH2 ARG 113 HH12 ARG 113 29.750 -15.885 8.065 Start of MODEL 8 Raw file had 865 H/Q atoms Start of MODEL 8 1 1H ASP 1 HT3 ASP 1 -0.042 3.223 -0.342 2 2H ASP 1 HT1 ASP 1 0.110 2.046 0.876 3 3H ASP 1 HT2 ASP 1 1.486 2.862 0.306 4 HA ASP 1 HA ASP 1 1.810 1.265 -1.151 5 1HB ASP 1 HB2 ASP 1 -0.935 0.334 -0.207 6 2HB ASP 1 HB1 ASP 1 0.019 -0.572 -1.377 7 H VAL 2 HN VAL 2 1.665 0.989 -3.285 8 HA VAL 2 HA VAL 2 -0.131 2.878 -4.591 9 HB VAL 2 HB VAL 2 2.000 1.039 -5.765 10 1HG1 VAL 2 HG11 VAL 2 0.436 3.376 -6.900 11 2HG1 VAL 2 HG12 VAL 2 1.912 2.761 -7.641 12 3HG1 VAL 2 HG13 VAL 2 0.492 1.727 -7.516 13 1HG2 VAL 2 HG23 VAL 2 2.683 2.850 -4.039 14 2HG2 VAL 2 HG21 VAL 2 3.516 2.862 -5.590 15 3HG2 VAL 2 HG22 VAL 2 2.224 4.016 -5.276 16 H VAL 3 HN VAL 3 -2.010 2.350 -5.478 17 HA VAL 3 HA VAL 3 -2.939 -0.397 -5.479 18 HB VAL 3 HB VAL 3 -4.190 2.021 -6.864 19 1HG1 VAL 3 HG11 VAL 3 -5.131 -0.262 -7.356 20 2HG1 VAL 3 HG12 VAL 3 -5.446 -0.457 -5.635 21 3HG1 VAL 3 HG13 VAL 3 -6.277 0.800 -6.546 22 1HG2 VAL 3 HG22 VAL 3 -4.080 1.193 -3.970 23 2HG2 VAL 3 HG23 VAL 3 -3.949 2.806 -4.665 24 3HG2 VAL 3 HG21 VAL 3 -5.516 2.007 -4.583 25 H MET 4 HN MET 4 -3.113 -1.815 -7.098 26 HA MET 4 HA MET 4 -2.206 -0.963 -9.823 27 1HB MET 4 HB2 MET 4 -1.717 -3.584 -8.321 28 2HB MET 4 HB1 MET 4 -1.305 -3.336 -10.014 29 1HG MET 4 HG1 MET 4 -0.288 -1.597 -7.762 30 2HG MET 4 HG2 MET 4 0.583 -2.983 -8.360 31 1HE MET 4 HE1 MET 4 1.355 -3.325 -10.645 32 2HE MET 4 HE2 MET 4 0.089 -2.610 -11.646 33 3HE MET 4 HE3 MET 4 1.759 -2.069 -11.815 34 H THR 5 HN THR 5 -4.250 -0.729 -10.681 35 HA THR 5 HA THR 5 -6.299 -2.771 -10.286 36 HB THR 5 HB THR 5 -6.415 -0.670 -12.490 37 HG1 THR 5 HG1 THR 5 -6.940 -0.196 -9.749 38 1HG2 THR 5 HG22 THR 5 -8.389 -2.238 -11.897 39 2HG2 THR 5 HG23 THR 5 -8.382 -1.515 -10.291 40 3HG2 THR 5 HG21 THR 5 -8.755 -0.527 -11.700 41 H GLN 6 HN GLN 6 -6.870 -4.401 -11.596 42 HA GLN 6 HA GLN 6 -5.371 -4.690 -14.171 43 1HB GLN 6 HB2 GLN 6 -4.484 -6.304 -12.562 44 2HB GLN 6 HB1 GLN 6 -6.105 -6.789 -12.079 45 1HG GLN 6 HG1 GLN 6 -6.500 -7.946 -14.098 46 2HG GLN 6 HG2 GLN 6 -5.250 -7.056 -14.962 47 1HE2 GLN 6 HE22 GLN 6 -2.597 -9.133 -13.805 48 2HE2 GLN 6 HE21 GLN 6 -2.972 -7.606 -14.442 49 H THR 7 HN THR 7 -6.462 -5.630 -15.882 50 HA THR 7 HA THR 7 -9.203 -6.596 -15.633 51 HB THR 7 HB THR 7 -9.367 -4.394 -17.556 52 HG1 THR 7 HG1 THR 7 -8.781 -3.569 -14.922 53 1HG2 THR 7 HG22 THR 7 -10.858 -5.463 -15.276 54 2HG2 THR 7 HG23 THR 7 -10.676 -3.724 -15.069 55 3HG2 THR 7 HG21 THR 7 -11.443 -4.362 -16.518 56 HA PRO 8 HA PRO 8 -10.875 -6.596 -17.139 57 1HB PRO 8 HB2 PRO 8 -11.812 -8.959 -18.430 58 2HB PRO 8 HB1 PRO 8 -12.036 -7.306 -19.005 59 1HG PRO 8 HG1 PRO 8 -10.338 -9.375 -20.128 60 2HG PRO 8 HG2 PRO 8 -10.635 -7.754 -20.754 61 1HD PRO 8 HD1 PRO 8 -8.273 -8.745 -19.365 62 2HD PRO 8 HD2 PRO 8 -8.519 -7.160 -20.121 63 H LEU 9 HN LEU 9 -12.364 -8.352 -16.094 64 HA LEU 9 HA LEU 9 -10.710 -9.748 -14.139 65 1HB LEU 9 HB2 LEU 9 -13.610 -9.156 -14.547 66 2HB LEU 9 HB1 LEU 9 -13.265 -10.639 -13.663 67 HG LEU 9 HG LEU 9 -11.613 -9.197 -12.276 68 1HD1 LEU 9 HD11 LEU 9 -13.293 -7.083 -13.664 69 2HD1 LEU 9 HD12 LEU 9 -12.358 -6.772 -12.204 70 3HD1 LEU 9 HD13 LEU 9 -11.538 -7.237 -13.693 71 1HD2 LEU 9 HD22 LEU 9 -13.791 -10.065 -11.437 72 2HD2 LEU 9 HD23 LEU 9 -13.430 -8.470 -10.783 73 3HD2 LEU 9 HD21 LEU 9 -14.595 -8.642 -12.092 74 H SER 10 HN SER 10 -12.664 -10.613 -16.916 75 HA SER 10 HA SER 10 -11.489 -13.345 -16.808 76 1HB SER 10 HB2 SER 10 -13.602 -14.419 -16.951 77 2HB SER 10 HB1 SER 10 -14.054 -13.009 -15.975 78 HG SER 10 HG SER 10 -15.393 -12.835 -17.665 79 H LEU 11 HN LEU 11 -11.498 -14.433 -18.896 80 HA LEU 11 HA LEU 11 -12.098 -12.686 -21.218 81 1HB LEU 11 HB2 LEU 11 -9.629 -12.512 -20.282 82 2HB LEU 11 HB1 LEU 11 -9.413 -14.078 -21.050 83 HG LEU 11 HG LEU 11 -10.651 -12.734 -23.069 84 1HD1 LEU 11 HD13 LEU 11 -9.005 -10.707 -21.516 85 2HD1 LEU 11 HD11 LEU 11 -9.585 -10.468 -23.161 86 3HD1 LEU 11 HD12 LEU 11 -10.735 -10.619 -21.837 87 1HD2 LEU 11 HD22 LEU 11 -8.493 -14.001 -23.148 88 2HD2 LEU 11 HD23 LEU 11 -8.416 -12.491 -24.051 89 3HD2 LEU 11 HD21 LEU 11 -7.678 -12.603 -22.456 90 HA PRO 12 HA PRO 12 -13.231 -17.043 -22.032 91 1HB PRO 12 HB2 PRO 12 -15.439 -16.110 -23.613 92 2HB PRO 12 HB1 PRO 12 -15.524 -16.791 -21.988 93 1HG PRO 12 HG1 PRO 12 -15.885 -14.018 -22.801 94 2HG PRO 12 HG2 PRO 12 -16.117 -14.726 -21.203 95 1HD PRO 12 HD1 PRO 12 -13.950 -13.043 -22.079 96 2HD PRO 12 HD2 PRO 12 -14.159 -13.793 -20.485 97 H VAL 13 HN VAL 13 -11.785 -17.693 -23.542 98 HA VAL 13 HA VAL 13 -12.104 -16.600 -26.308 99 HB VAL 13 HB VAL 13 -9.691 -16.502 -26.584 100 1HG1 VAL 13 HG11 VAL 13 -10.960 -14.748 -25.044 101 2HG1 VAL 13 HG12 VAL 13 -9.941 -15.440 -23.787 102 3HG1 VAL 13 HG13 VAL 13 -9.208 -14.690 -25.201 103 1HG2 VAL 13 HG23 VAL 13 -9.690 -18.013 -23.962 104 2HG2 VAL 13 HG21 VAL 13 -8.902 -18.450 -25.476 105 3HG2 VAL 13 HG22 VAL 13 -8.261 -17.133 -24.495 106 H SER 14 HN SER 14 -10.736 -17.968 -27.858 107 HA SER 14 HA SER 14 -11.407 -20.826 -27.333 108 1HB SER 14 HB2 SER 14 -12.416 -19.713 -29.384 109 2HB SER 14 HB1 SER 14 -10.772 -19.424 -29.988 110 HG SER 14 HG SER 14 -12.170 -21.639 -30.198 111 H LEU 15 HN LEU 15 -9.850 -22.380 -28.459 112 HA LEU 15 HA LEU 15 -7.154 -21.687 -27.532 113 1HB LEU 15 HB2 LEU 15 -8.207 -24.205 -28.901 114 2HB LEU 15 HB1 LEU 15 -6.634 -24.045 -28.128 115 HG LEU 15 HG LEU 15 -9.338 -23.777 -26.764 116 1HD1 LEU 15 HD12 LEU 15 -8.636 -26.097 -27.285 117 2HD1 LEU 15 HD13 LEU 15 -7.104 -25.807 -26.466 118 3HD1 LEU 15 HD11 LEU 15 -8.607 -25.792 -25.552 119 1HD2 LEU 15 HD23 LEU 15 -6.528 -23.143 -25.917 120 2HD2 LEU 15 HD21 LEU 15 -8.027 -22.311 -25.512 121 3HD2 LEU 15 HD22 LEU 15 -7.622 -23.832 -24.723 122 H GLY 16 HN GLY 16 -6.581 -20.075 -28.921 123 1HA GLY 16 HA1 GLY 16 -4.839 -20.181 -30.853 124 2HA GLY 16 HA2 GLY 16 -6.197 -20.802 -31.792 125 H ASP 17 HN ASP 17 -5.864 -18.196 -29.408 126 HA ASP 17 HA ASP 17 -6.660 -16.226 -31.484 127 1HB ASP 17 HB2 ASP 17 -8.458 -17.292 -29.571 128 2HB ASP 17 HB1 ASP 17 -8.005 -15.718 -28.923 129 H GLN 18 HN GLN 18 -6.384 -13.976 -30.719 130 HA GLN 18 HA GLN 18 -3.897 -13.779 -29.154 131 1HB GLN 18 HB2 GLN 18 -5.545 -11.933 -30.885 132 2HB GLN 18 HB1 GLN 18 -4.442 -11.209 -29.720 133 1HG GLN 18 HG1 GLN 18 -2.539 -12.338 -30.694 134 2HG GLN 18 HG2 GLN 18 -3.577 -13.341 -31.702 135 1HE2 GLN 18 HE22 GLN 18 -3.979 -9.459 -32.845 136 2HE2 GLN 18 HE21 GLN 18 -4.445 -9.966 -31.294 137 H ALA 19 HN ALA 19 -3.672 -12.785 -27.189 138 HA ALA 19 HA ALA 19 -6.216 -11.978 -25.823 139 1HB ALA 19 HB3 ALA 19 -4.742 -14.176 -25.173 140 2HB ALA 19 HB1 ALA 19 -3.896 -12.975 -24.204 141 3HB ALA 19 HB2 ALA 19 -5.618 -13.247 -23.962 142 H SER 20 HN SER 20 -5.837 -10.539 -23.919 143 HA SER 20 HA SER 20 -3.362 -9.006 -23.842 144 1HB SER 20 HB2 SER 20 -4.623 -6.817 -24.465 145 2HB SER 20 HB1 SER 20 -4.319 -7.926 -25.816 146 HG SER 20 HG SER 20 -6.667 -7.690 -24.239 147 H ILE 21 HN ILE 21 -3.353 -9.353 -21.636 148 HA ILE 21 HA ILE 21 -5.720 -8.557 -20.044 149 HB ILE 21 HB ILE 21 -2.977 -9.417 -19.053 150 1HG1 ILE 21 HG11 ILE 21 -5.058 -11.473 -18.980 151 2HG1 ILE 21 HG12 ILE 21 -4.697 -10.976 -20.628 152 1HG2 ILE 21 HG22 ILE 21 -5.777 -9.274 -17.879 153 2HG2 ILE 21 HG23 ILE 21 -4.528 -10.271 -17.139 154 3HG2 ILE 21 HG21 ILE 21 -4.307 -8.528 -17.260 155 1HD1 ILE 21 HD11 ILE 21 -2.346 -11.402 -18.848 156 2HD1 ILE 21 HD12 ILE 21 -3.245 -12.844 -19.307 157 3HD1 ILE 21 HD13 ILE 21 -2.553 -11.808 -20.550 158 H SER 22 HN SER 22 -5.970 -6.553 -19.464 159 HA SER 22 HA SER 22 -3.766 -4.630 -19.630 160 1HB SER 22 HB2 SER 22 -6.458 -4.406 -20.108 161 2HB SER 22 HB1 SER 22 -6.385 -3.772 -18.452 162 HG SER 22 HG SER 22 -4.761 -2.998 -20.663 163 H CYS 23 HN CYS 23 -3.200 -3.184 -17.965 164 HA CYS 23 HA CYS 23 -3.935 -3.711 -15.191 165 1HB CYS 23 HB2 CYS 23 -2.302 -5.533 -15.672 166 2HB CYS 23 HB1 CYS 23 -1.142 -4.353 -16.220 167 NH1 ARG 24 NH2 ARG 24 -5.739 0.326 -20.220 168 NH2 ARG 24 NH1 ARG 24 -7.231 1.938 -19.629 169 H ARG 24 HN ARG 24 -4.118 -1.653 -14.516 170 HA ARG 24 HA ARG 24 -1.942 0.248 -15.292 171 1HB ARG 24 HB2 ARG 24 -4.914 0.718 -14.796 172 2HB ARG 24 HB1 ARG 24 -3.750 2.030 -14.953 173 1HG ARG 24 HG1 ARG 24 -3.182 1.355 -17.209 174 2HG ARG 24 HG2 ARG 24 -4.112 -0.131 -17.054 175 1HD ARG 24 HD1 ARG 24 -6.188 1.035 -17.060 176 2HD ARG 24 HD2 ARG 24 -5.410 2.584 -16.732 177 HE ARG 24 HE ARG 24 -4.450 2.440 -19.064 178 1HH1 ARG 24 HH21 ARG 24 -4.830 -0.075 -20.116 179 2HH1 ARG 24 HH22 ARG 24 -6.397 -0.084 -20.849 180 1HH2 ARG 24 HH11 ARG 24 -7.440 2.747 -19.082 181 2HH2 ARG 24 HH12 ARG 24 -7.919 1.559 -20.247 182 H SER 25 HN SER 25 -1.091 1.583 -13.745 183 HA SER 25 HA SER 25 -1.739 0.814 -10.935 184 1HB SER 25 HB2 SER 25 0.717 2.397 -11.786 185 2HB SER 25 HB1 SER 25 0.541 1.284 -10.416 186 HG SER 25 HG SER 25 -0.120 -0.051 -12.589 187 H SER 26 HN SER 26 -1.951 2.398 -9.333 188 HA SER 26 HA SER 26 -3.207 4.858 -10.271 189 1HB SER 26 HB2 SER 26 -2.759 3.484 -7.621 190 2HB SER 26 HB1 SER 26 -3.116 5.223 -7.595 191 HG SER 26 HG SER 26 -5.016 4.874 -8.541 192 H GLN 27 HN GLN 27 -0.062 4.036 -9.974 193 HA GLN 27 HA GLN 27 0.776 6.840 -9.907 194 1HB GLN 27 HB2 GLN 27 0.783 6.300 -7.504 195 2HB GLN 27 HB1 GLN 27 1.654 4.803 -7.806 196 1HG GLN 27 HG1 GLN 27 3.613 5.908 -7.646 197 2HG GLN 27 HG2 GLN 27 3.149 6.926 -9.004 198 1HE2 GLN 27 HE22 GLN 27 3.352 8.591 -5.407 199 2HE2 GLN 27 HE21 GLN 27 4.091 7.124 -5.829 200 H SER 28 HN SER 28 2.508 7.132 -11.189 201 HA SER 28 HA SER 28 3.463 5.096 -12.898 202 1HB SER 28 HB2 SER 28 3.728 7.677 -13.130 203 2HB SER 28 HB1 SER 28 5.146 7.504 -12.076 204 HG SER 28 HG SER 28 5.989 7.082 -14.023 205 H LEU 29 HN LEU 29 4.773 3.442 -12.576 206 HA LEU 29 HA LEU 29 6.329 3.324 -10.060 207 1HB LEU 29 HB2 LEU 29 6.154 1.187 -12.222 208 2HB LEU 29 HB1 LEU 29 6.527 0.960 -10.521 209 HG LEU 29 HG LEU 29 3.877 2.165 -11.286 210 1HD1 LEU 29 HD13 LEU 29 4.698 -0.742 -11.466 211 2HD1 LEU 29 HD11 LEU 29 3.027 -0.271 -11.173 212 3HD1 LEU 29 HD12 LEU 29 3.831 0.220 -12.659 213 1HD2 LEU 29 HD23 LEU 29 4.887 0.405 -9.026 214 2HD2 LEU 29 HD21 LEU 29 4.515 2.123 -8.923 215 3HD2 LEU 29 HD22 LEU 29 3.223 0.956 -9.189 216 H VAL 30 HN VAL 30 7.129 5.116 -12.205 217 HA VAL 30 HA VAL 30 9.545 3.877 -13.353 218 HB VAL 30 HB VAL 30 8.394 6.706 -13.497 219 1HG1 VAL 30 HG13 VAL 30 10.788 5.431 -14.861 220 2HG1 VAL 30 HG11 VAL 30 10.036 6.919 -15.430 221 3HG1 VAL 30 HG12 VAL 30 10.782 6.863 -13.835 222 1HG2 VAL 30 HG23 VAL 30 7.096 4.866 -14.630 223 2HG2 VAL 30 HG21 VAL 30 7.719 6.072 -15.752 224 3HG2 VAL 30 HG22 VAL 30 8.525 4.515 -15.597 225 H HIS 31 HN HIS 31 11.335 3.763 -12.181 226 HA HIS 31 HA HIS 31 11.726 5.244 -9.745 227 1HB HIS 31 HB2 HIS 31 12.791 2.975 -10.542 228 2HB HIS 31 HB1 HIS 31 13.975 3.989 -11.360 229 HD2 HIS 31 HD2 HIS 31 13.183 2.633 -7.862 230 HE1 HIS 31 HE1 HIS 31 16.105 5.521 -7.377 231 H SER 32 HN SER 32 13.323 6.848 -9.304 232 HA SER 32 HA SER 32 13.372 8.992 -11.172 233 1HB SER 32 HB2 SER 32 15.417 8.555 -8.943 234 2HB SER 32 HB1 SER 32 14.801 10.101 -9.558 235 HG SER 32 HG SER 32 12.943 9.787 -8.554 236 H ASN 33 HN ASN 33 15.612 6.347 -10.650 237 HA ASN 33 HA ASN 33 17.712 7.540 -12.279 238 1HB ASN 33 HB2 ASN 33 18.909 5.526 -11.849 239 2HB ASN 33 HB1 ASN 33 17.872 5.658 -10.434 240 1HD2 ASN 33 HD22 ASN 33 17.285 2.644 -13.113 241 2HD2 ASN 33 HD21 ASN 33 18.374 3.899 -13.455 242 H GLY 34 HN GLY 34 14.751 6.385 -13.096 243 1HA GLY 34 HA1 GLY 34 13.910 6.191 -15.326 244 2HA GLY 34 HA2 GLY 34 15.564 6.052 -15.914 245 H ASN 35 HN ASN 35 13.693 4.201 -13.513 246 HA ASN 35 HA ASN 35 13.965 1.798 -15.241 247 1HB ASN 35 HB2 ASN 35 15.337 2.309 -12.659 248 2HB ASN 35 HB1 ASN 35 14.476 0.775 -12.705 249 1HD2 ASN 35 HD22 ASN 35 17.434 1.333 -15.512 250 2HD2 ASN 35 HD21 ASN 35 16.498 2.665 -15.030 251 H THR 36 HN THR 36 12.051 0.880 -15.405 252 HA THR 36 HA THR 36 10.063 1.299 -13.219 253 HB THR 36 HB THR 36 9.670 0.381 -16.132 254 HG1 THR 36 HG1 THR 36 9.137 2.513 -16.403 255 1HG2 THR 36 HG21 THR 36 7.813 -0.245 -14.435 256 2HG2 THR 36 HG22 THR 36 7.675 1.473 -14.070 257 3HG2 THR 36 HG23 THR 36 7.288 0.882 -15.683 258 OH TYR 37 OH TYR 37 15.911 0.107 -10.390 259 H TYR 37 HN TYR 37 10.327 -0.310 -11.787 260 HA TYR 37 HA TYR 37 10.952 -3.037 -12.647 261 1HB TYR 37 HB2 TYR 37 10.157 -1.972 -9.897 262 2HB TYR 37 HB1 TYR 37 10.958 -3.508 -10.226 263 HD1 TYR 37 HD2 TYR 37 13.166 -3.221 -11.763 264 HD2 TYR 37 HD1 TYR 37 11.542 -0.206 -9.242 265 HE1 TYR 37 HE2 TYR 37 15.348 -2.103 -11.698 266 HE2 TYR 37 HE1 TYR 37 13.725 0.911 -9.173 267 HH TYR 37 HH TYR 37 15.758 1.053 -10.340 268 H LEU 38 HN LEU 38 9.283 -3.902 -13.779 269 HA LEU 38 HA LEU 38 6.872 -4.587 -12.205 270 1HB LEU 38 HB2 LEU 38 6.368 -2.483 -13.533 271 2HB LEU 38 HB1 LEU 38 6.722 -3.377 -15.007 272 HG LEU 38 HG LEU 38 4.831 -4.771 -13.224 273 1HD1 LEU 38 HD13 LEU 38 4.179 -2.044 -14.374 274 2HD1 LEU 38 HD11 LEU 38 2.937 -3.218 -13.946 275 3HD1 LEU 38 HD12 LEU 38 4.007 -2.574 -12.704 276 1HD2 LEU 38 HD23 LEU 38 4.865 -3.941 -16.146 277 2HD2 LEU 38 HD21 LEU 38 5.225 -5.539 -15.499 278 3HD2 LEU 38 HD22 LEU 38 3.583 -4.906 -15.422 279 H ASN 39 HN ASN 39 6.098 -6.576 -12.660 280 HA ASN 39 HA ASN 39 7.009 -7.910 -15.151 281 1HB ASN 39 HB2 ASN 39 7.478 -9.995 -13.654 282 2HB ASN 39 HB1 ASN 39 8.670 -8.702 -13.617 283 1HD2 ASN 39 HD22 ASN 39 8.005 -9.574 -10.100 284 2HD2 ASN 39 HD21 ASN 39 8.714 -10.317 -11.450 285 CH2 TRP 40 CH2 TRP 40 -0.769 -7.880 -17.405 286 H TRP 40 HN TRP 40 6.003 -10.179 -15.241 287 HA TRP 40 HA TRP 40 3.151 -9.978 -14.365 288 1HB TRP 40 HB2 TRP 40 4.441 -10.858 -16.970 289 2HB TRP 40 HB1 TRP 40 2.807 -11.353 -16.571 290 HD1 TRP 40 HD1 TRP 40 4.874 -8.163 -17.342 291 HE1 TRP 40 HE1 TRP 40 3.170 -6.416 -18.015 292 HE3 TRP 40 HE3 TRP 40 0.749 -10.671 -16.284 293 HZ2 TRP 40 HZ2 TRP 40 0.239 -6.131 -18.115 294 HZ3 TRP 40 HZ3 TRP 40 -1.494 -9.739 -16.633 295 HH2 TRP 40 HH2 TRP 40 -1.755 -7.480 -17.586 296 OH TYR 41 OH TYR 41 6.540 -10.417 -9.173 297 H TYR 41 HN TYR 41 2.115 -11.878 -13.805 298 HA TYR 41 HA TYR 41 3.878 -14.287 -13.488 299 1HB TYR 41 HB2 TYR 41 1.703 -13.338 -11.553 300 2HB TYR 41 HB1 TYR 41 2.767 -14.718 -11.319 301 HD1 TYR 41 HD1 TYR 41 5.378 -13.584 -12.194 302 HD2 TYR 41 HD2 TYR 41 2.302 -11.861 -9.815 303 HE1 TYR 41 HE1 TYR 41 7.033 -12.158 -11.081 304 HE2 TYR 41 HE2 TYR 41 3.959 -10.439 -8.702 305 HH TYR 41 HH TYR 41 7.030 -10.976 -8.565 306 H LEU 42 HN LEU 42 2.617 -16.312 -13.240 307 HA LEU 42 HA LEU 42 -0.164 -16.293 -14.156 308 1HB LEU 42 HB2 LEU 42 0.868 -16.085 -16.339 309 2HB LEU 42 HB1 LEU 42 2.138 -17.228 -15.931 310 HG LEU 42 HG LEU 42 0.413 -19.035 -15.766 311 1HD1 LEU 42 HD11 LEU 42 -1.360 -16.693 -16.408 312 2HD1 LEU 42 HD12 LEU 42 -1.806 -18.285 -17.012 313 3HD1 LEU 42 HD13 LEU 42 -1.635 -18.018 -15.281 314 1HD2 LEU 42 HD21 LEU 42 0.762 -17.448 -18.311 315 2HD2 LEU 42 HD22 LEU 42 1.511 -18.975 -17.859 316 3HD2 LEU 42 HD23 LEU 42 -0.192 -18.927 -18.300 317 H GLN 43 HN GLN 43 -1.052 -17.777 -12.897 318 HA GLN 43 HA GLN 43 0.423 -20.344 -12.500 319 1HB GLN 43 HB2 GLN 43 -0.551 -18.381 -10.491 320 2HB GLN 43 HB1 GLN 43 -1.020 -20.043 -10.149 321 1HG GLN 43 HG1 GLN 43 1.740 -19.998 -11.011 322 2HG GLN 43 HG2 GLN 43 1.522 -18.839 -9.704 323 1HE2 GLN 43 HE22 GLN 43 1.646 -21.448 -7.364 324 2HE2 GLN 43 HE21 GLN 43 2.133 -19.886 -7.814 325 H LYS 44 HN LYS 44 -0.920 -22.117 -11.827 326 HA LYS 44 HA LYS 44 -3.602 -21.972 -13.118 327 1HB LYS 44 HB2 LYS 44 -1.552 -23.713 -13.549 328 2HB LYS 44 HB1 LYS 44 -2.359 -24.573 -12.246 329 1HG LYS 44 HG1 LYS 44 -4.242 -25.006 -13.517 330 2HG LYS 44 HG2 LYS 44 -4.091 -23.514 -14.438 331 1HD LYS 44 HD1 LYS 44 -2.086 -25.761 -14.730 332 2HD LYS 44 HD2 LYS 44 -3.567 -25.722 -15.680 333 1HE LYS 44 HE1 LYS 44 -2.403 -23.110 -15.785 334 2HE LYS 44 HE2 LYS 44 -1.131 -24.275 -16.133 335 1HZ LYS 44 HZ1 LYS 44 -3.436 -25.078 -17.491 336 2HZ LYS 44 HZ2 LYS 44 -3.204 -23.423 -17.799 337 H ALA 45 HN ALA 45 -4.124 -24.614 -11.665 338 HA ALA 45 HA ALA 45 -5.605 -23.442 -9.466 339 1HB ALA 45 HB3 ALA 45 -5.022 -26.325 -10.294 340 2HB ALA 45 HB1 ALA 45 -6.088 -25.911 -8.955 341 3HB ALA 45 HB2 ALA 45 -6.502 -25.420 -10.594 342 H GLY 46 HN GLY 46 -2.519 -24.982 -9.823 343 1HA GLY 46 HA1 GLY 46 -1.435 -24.058 -7.396 344 2HA GLY 46 HA2 GLY 46 -2.070 -25.667 -7.062 345 H GLN 47 HN GLN 47 0.093 -23.873 -9.203 346 HA GLN 47 HA GLN 47 1.643 -26.402 -9.606 347 1HB GLN 47 HB2 GLN 47 0.485 -24.857 -11.555 348 2HB GLN 47 HB1 GLN 47 2.059 -24.081 -11.454 349 1HG GLN 47 HG1 GLN 47 2.596 -25.751 -12.964 350 2HG GLN 47 HG2 GLN 47 2.873 -26.656 -11.479 351 1HE2 GLN 47 HE22 GLN 47 0.372 -28.988 -12.247 352 2HE2 GLN 47 HE21 GLN 47 1.792 -28.615 -11.396 353 H SER 48 HN SER 48 3.899 -25.107 -10.746 354 HA SER 48 HA SER 48 5.140 -24.138 -8.250 355 1HB SER 48 HB2 SER 48 7.158 -24.877 -9.215 356 2HB SER 48 HB1 SER 48 6.051 -25.825 -10.221 357 HG SER 48 HG SER 48 7.039 -23.211 -10.775 358 HA PRO 49 HA PRO 49 5.322 -19.899 -9.174 359 1HB PRO 49 HB2 PRO 49 8.186 -19.606 -8.732 360 2HB PRO 49 HB1 PRO 49 6.880 -19.190 -7.622 361 1HG PRO 49 HG1 PRO 49 8.711 -21.407 -7.423 362 2HG PRO 49 HG2 PRO 49 7.384 -21.009 -6.331 363 1HD PRO 49 HD1 PRO 49 7.521 -23.173 -8.243 364 2HD PRO 49 HD2 PRO 49 6.197 -22.788 -7.128 365 H LYS 50 HN LYS 50 5.336 -18.980 -11.150 366 HA LYS 50 HA LYS 50 7.659 -19.509 -12.938 367 1HB LYS 50 HB2 LYS 50 5.222 -20.766 -13.272 368 2HB LYS 50 HB1 LYS 50 5.003 -19.335 -14.271 369 1HG LYS 50 HG1 LYS 50 7.180 -19.855 -15.408 370 2HG LYS 50 HG2 LYS 50 7.274 -21.343 -14.472 371 1HD LYS 50 HD1 LYS 50 4.895 -21.833 -15.411 372 2HD LYS 50 HD2 LYS 50 5.261 -20.585 -16.596 373 1HE LYS 50 HE1 LYS 50 6.904 -23.087 -16.080 374 2HE LYS 50 HE2 LYS 50 5.877 -22.796 -17.479 375 1HZ LYS 50 HZ1 LYS 50 7.274 -20.831 -17.966 376 2HZ LYS 50 HZ2 LYS 50 8.321 -21.305 -16.717 377 H LEU 51 HN LEU 51 8.337 -17.820 -14.080 378 HA LEU 51 HA LEU 51 6.727 -15.302 -13.897 379 1HB LEU 51 HB2 LEU 51 8.800 -14.990 -12.691 380 2HB LEU 51 HB1 LEU 51 9.730 -15.844 -13.914 381 HG LEU 51 HG LEU 51 9.113 -13.985 -15.542 382 1HD1 LEU 51 HD12 LEU 51 7.377 -13.275 -13.421 383 2HD1 LEU 51 HD13 LEU 51 8.612 -12.021 -13.466 384 3HD1 LEU 51 HD11 LEU 51 7.659 -12.370 -14.905 385 1HD2 LEU 51 HD23 LEU 51 11.278 -14.152 -14.189 386 2HD2 LEU 51 HD21 LEU 51 10.859 -12.542 -14.764 387 3HD2 LEU 51 HD22 LEU 51 10.569 -12.981 -13.083 388 H LEU 52 HN LEU 52 6.450 -14.097 -15.735 389 HA LEU 52 HA LEU 52 7.316 -15.435 -18.263 390 1HB LEU 52 HB2 LEU 52 4.854 -13.849 -17.477 391 2HB LEU 52 HB1 LEU 52 5.312 -13.971 -19.173 392 HG LEU 52 HG LEU 52 5.100 -16.437 -17.436 393 1HD1 LEU 52 HD13 LEU 52 2.913 -14.957 -18.924 394 2HD1 LEU 52 HD11 LEU 52 2.779 -16.655 -18.480 395 3HD1 LEU 52 HD12 LEU 52 2.927 -15.425 -17.228 396 1HD2 LEU 52 HD22 LEU 52 5.099 -15.810 -20.398 397 2HD2 LEU 52 HD23 LEU 52 6.175 -16.887 -19.514 398 3HD2 LEU 52 HD21 LEU 52 4.498 -17.349 -19.788 399 H ILE 53 HN ILE 53 5.964 -12.224 -18.033 400 HA ILE 53 HA ILE 53 8.469 -11.195 -19.260 401 HB ILE 53 HB ILE 53 5.737 -9.900 -18.940 402 1HG1 ILE 53 HG11 ILE 53 5.906 -12.015 -20.384 403 2HG1 ILE 53 HG12 ILE 53 5.219 -10.582 -21.143 404 1HG2 ILE 53 HG22 ILE 53 8.356 -9.085 -20.157 405 2HG2 ILE 53 HG23 ILE 53 6.903 -8.640 -21.044 406 3HG2 ILE 53 HG21 ILE 53 7.130 -8.079 -19.391 407 1HD1 ILE 53 HD11 ILE 53 8.174 -10.963 -21.291 408 2HD1 ILE 53 HD12 ILE 53 7.166 -11.973 -22.321 409 3HD1 ILE 53 HD13 ILE 53 7.087 -10.220 -22.455 410 OH TYR 54 OH TYR 54 15.673 -10.252 -17.938 411 H TYR 54 HN TYR 54 9.760 -9.813 -18.252 412 HA TYR 54 HA TYR 54 8.770 -8.472 -15.792 413 1HB TYR 54 HB2 TYR 54 10.718 -9.141 -14.529 414 2HB TYR 54 HB1 TYR 54 10.157 -10.606 -15.324 415 HD1 TYR 54 HD2 TYR 54 11.329 -11.393 -17.414 416 HD2 TYR 54 HD1 TYR 54 12.858 -8.215 -15.040 417 HE1 TYR 54 HE2 TYR 54 13.526 -11.667 -18.465 418 HE2 TYR 54 HE1 TYR 54 15.058 -8.490 -16.091 419 HH TYR 54 HH TYR 54 15.576 -10.869 -18.666 420 H LYS 55 HN LYS 55 10.534 -6.819 -15.045 421 HA LYS 55 HA LYS 55 11.497 -4.745 -15.584 422 1HB LYS 55 HB2 LYS 55 13.252 -6.527 -16.354 423 2HB LYS 55 HB1 LYS 55 12.685 -6.191 -17.984 424 1HG LYS 55 HG1 LYS 55 13.908 -4.297 -18.070 425 2HG LYS 55 HG2 LYS 55 13.143 -3.696 -16.605 426 1HD LYS 55 HD1 LYS 55 15.200 -5.838 -16.269 427 2HD LYS 55 HD2 LYS 55 15.784 -4.243 -16.728 428 1HE LYS 55 HE1 LYS 55 14.129 -3.457 -14.791 429 2HE LYS 55 HE2 LYS 55 14.390 -5.100 -14.218 430 1HZ LYS 55 HZ1 LYS 55 16.111 -2.873 -14.041 431 2HZ LYS 55 HZ2 LYS 55 16.305 -4.429 -13.378 432 H VAL 56 HN VAL 56 8.930 -5.342 -16.622 433 HA VAL 56 HA VAL 56 7.352 -4.242 -17.919 434 HB VAL 56 HB VAL 56 9.596 -2.496 -18.030 435 1HG1 VAL 56 HG12 VAL 56 9.998 -3.285 -20.357 436 2HG1 VAL 56 HG13 VAL 56 8.333 -2.880 -20.776 437 3HG1 VAL 56 HG11 VAL 56 9.470 -1.607 -20.335 438 1HG2 VAL 56 HG22 VAL 56 7.276 -1.941 -17.359 439 2HG2 VAL 56 HG23 VAL 56 7.861 -0.825 -18.590 440 3HG2 VAL 56 HG21 VAL 56 6.752 -2.120 -19.032 441 H SER 57 HN SER 57 10.225 -5.438 -19.637 442 HA SER 57 HA SER 57 8.335 -6.703 -21.545 443 1HB SER 57 HB2 SER 57 9.907 -5.954 -23.458 444 2HB SER 57 HB1 SER 57 8.974 -4.645 -22.707 445 HG SER 57 HG SER 57 10.731 -3.911 -21.780 446 H ASN 58 HN ASN 58 11.727 -6.472 -20.506 447 HA ASN 58 HA ASN 58 12.943 -8.543 -21.811 448 1HB ASN 58 HB2 ASN 58 12.977 -7.898 -18.834 449 2HB ASN 58 HB1 ASN 58 14.041 -9.114 -19.532 450 1HD2 ASN 58 HD22 ASN 58 14.631 -5.178 -20.559 451 2HD2 ASN 58 HD21 ASN 58 13.097 -5.670 -20.026 452 NH1 ARG 59 NH1 ARG 59 11.486 -14.979 -24.994 453 NH2 ARG 59 NH2 ARG 59 10.442 -14.462 -26.947 454 H ARG 59 HN ARG 59 12.444 -10.567 -22.260 455 HA ARG 59 HA ARG 59 10.340 -11.939 -20.697 456 1HB ARG 59 HB2 ARG 59 11.827 -13.034 -23.113 457 2HB ARG 59 HB1 ARG 59 10.207 -13.446 -22.564 458 1HG ARG 59 HG1 ARG 59 9.487 -11.098 -23.072 459 2HG ARG 59 HG2 ARG 59 11.084 -10.791 -23.745 460 1HD ARG 59 HD1 ARG 59 9.115 -12.899 -24.711 461 2HD ARG 59 HD2 ARG 59 9.523 -11.403 -25.548 462 HE ARG 59 HE ARG 59 11.886 -12.342 -25.720 463 1HH1 ARG 59 HH11 ARG 59 11.911 -14.671 -24.145 464 2HH1 ARG 59 HH12 ARG 59 11.425 -15.956 -25.197 465 1HH2 ARG 59 HH21 ARG 59 10.080 -13.764 -27.563 466 2HH2 ARG 59 HH22 ARG 59 10.379 -15.429 -27.193 467 H PHE 60 HN PHE 60 10.787 -13.430 -19.182 468 HA PHE 60 HA PHE 60 13.411 -14.052 -18.339 469 1HB PHE 60 HB2 PHE 60 11.068 -14.524 -17.197 470 2HB PHE 60 HB1 PHE 60 11.153 -16.063 -18.053 471 HD1 PHE 60 HD1 PHE 60 13.022 -13.887 -15.676 472 HD2 PHE 60 HD2 PHE 60 12.545 -17.816 -17.247 473 HE1 PHE 60 HE1 PHE 60 14.558 -14.758 -13.970 474 HE2 PHE 60 HE2 PHE 60 14.081 -18.685 -15.538 475 HZ PHE 60 HZ PHE 60 15.090 -17.157 -13.899 476 H SER 61 HN SER 61 14.737 -15.892 -18.650 477 HA SER 61 HA SER 61 14.937 -16.825 -21.316 478 1HB SER 61 HB2 SER 61 16.569 -16.993 -19.129 479 2HB SER 61 HB1 SER 61 15.948 -18.656 -19.163 480 HG SER 61 HG SER 61 17.820 -17.858 -20.652 481 H GLY 62 HN GLY 62 13.494 -17.998 -22.364 482 1HA GLY 62 HA1 GLY 62 12.640 -20.337 -22.649 483 2HA GLY 62 HA2 GLY 62 12.232 -20.312 -20.937 484 H VAL 63 HN VAL 63 11.338 -17.442 -21.301 485 HA VAL 63 HA VAL 63 8.563 -17.903 -21.540 486 HB VAL 63 HB VAL 63 10.193 -15.368 -22.019 487 1HG1 VAL 63 HG12 VAL 63 7.233 -15.895 -21.939 488 2HG1 VAL 63 HG13 VAL 63 7.840 -14.392 -21.251 489 3HG1 VAL 63 HG11 VAL 63 8.134 -14.766 -22.947 490 1HG2 VAL 63 HG21 VAL 63 10.234 -16.616 -19.757 491 2HG2 VAL 63 HG22 VAL 63 9.811 -14.909 -19.720 492 3HG2 VAL 63 HG23 VAL 63 8.551 -16.129 -19.600 493 HA PRO 64 HA PRO 64 8.288 -18.635 -25.898 494 1HB PRO 64 HB2 PRO 64 5.395 -18.253 -25.623 495 2HB PRO 64 HB1 PRO 64 6.274 -19.748 -25.946 496 1HG PRO 64 HG1 PRO 64 4.996 -19.019 -23.502 497 2HG PRO 64 HG2 PRO 64 6.032 -20.419 -23.772 498 1HD PRO 64 HD1 PRO 64 6.629 -17.993 -22.278 499 2HD PRO 64 HD2 PRO 64 7.613 -19.461 -22.431 500 H ASP 65 HN ASP 65 8.190 -17.297 -27.625 501 HA ASP 65 HA ASP 65 8.178 -14.494 -27.328 502 1HB ASP 65 HB2 ASP 65 7.890 -14.492 -29.838 503 2HB ASP 65 HB1 ASP 65 9.088 -15.676 -29.322 504 NH1 ARG 66 NH1 ARG 66 5.649 -20.935 -28.456 505 NH2 ARG 66 NH2 ARG 66 3.678 -22.042 -28.193 506 H ARG 66 HN ARG 66 5.532 -16.686 -27.603 507 HA ARG 66 HA ARG 66 3.519 -14.973 -28.626 508 1HB ARG 66 HB2 ARG 66 3.154 -17.063 -26.432 509 2HB ARG 66 HB1 ARG 66 1.945 -16.534 -27.595 510 1HG ARG 66 HG1 ARG 66 3.143 -17.546 -29.426 511 2HG ARG 66 HG2 ARG 66 4.549 -17.860 -28.415 512 1HD ARG 66 HD1 ARG 66 2.069 -18.993 -27.310 513 2HD ARG 66 HD2 ARG 66 2.492 -19.660 -28.887 514 HE ARG 66 HE ARG 66 4.266 -19.754 -26.480 515 1HH1 ARG 66 HH11 ARG 66 6.196 -20.114 -28.297 516 2HH1 ARG 66 HH12 ARG 66 6.041 -21.709 -28.951 517 1HH2 ARG 66 HH21 ARG 66 2.743 -22.052 -27.835 518 2HH2 ARG 66 HH22 ARG 66 4.030 -22.836 -28.685 519 H PHE 67 HN PHE 67 5.156 -14.894 -25.618 520 HA PHE 67 HA PHE 67 3.022 -13.293 -24.336 521 1HB PHE 67 HB2 PHE 67 5.659 -14.480 -23.413 522 2HB PHE 67 HB1 PHE 67 4.810 -13.296 -22.422 523 HD1 PHE 67 HD1 PHE 67 4.641 -16.690 -23.866 524 HD2 PHE 67 HD2 PHE 67 2.654 -13.832 -21.414 525 HE1 PHE 67 HE1 PHE 67 3.076 -18.427 -23.101 526 HE2 PHE 67 HE2 PHE 67 1.091 -15.563 -20.668 527 HZ PHE 67 HZ PHE 67 1.307 -17.865 -21.494 528 H SER 68 HN SER 68 2.931 -11.223 -24.773 529 HA SER 68 HA SER 68 5.496 -9.720 -25.123 530 1HB SER 68 HB2 SER 68 3.136 -9.900 -26.808 531 2HB SER 68 HB1 SER 68 3.301 -8.231 -26.229 532 HG SER 68 HG SER 68 5.288 -9.852 -27.453 533 H GLY 69 HN GLY 69 5.672 -9.181 -22.943 534 1HA GLY 69 HA1 GLY 69 3.453 -7.645 -21.709 535 2HA GLY 69 HA2 GLY 69 4.902 -8.202 -20.875 536 H SER 70 HN SER 70 3.449 -5.488 -21.643 537 HA SER 70 HA SER 70 5.901 -3.902 -21.560 538 1HB SER 70 HB2 SER 70 5.500 -4.614 -24.064 539 2HB SER 70 HB1 SER 70 4.144 -3.471 -24.016 540 HG SER 70 HG SER 70 6.145 -2.462 -24.598 541 H GLY 71 HN GLY 71 5.083 -1.446 -22.226 542 1HA GLY 71 HA1 GLY 71 2.606 -0.410 -21.908 543 2HA GLY 71 HA2 GLY 71 2.913 -0.978 -20.274 544 H SER 72 HN SER 72 2.455 1.524 -20.244 545 HA SER 72 HA SER 72 4.932 3.094 -20.670 546 1HB SER 72 HB2 SER 72 2.493 3.889 -21.244 547 2HB SER 72 HB1 SER 72 2.328 4.164 -19.499 548 HG SER 72 HG SER 72 3.223 6.011 -20.377 549 H GLY 73 HN GLY 73 3.891 4.916 -18.449 550 1HA GLY 73 HA1 GLY 73 5.550 3.729 -16.330 551 2HA GLY 73 HA2 GLY 73 4.855 5.346 -16.312 552 H THR 74 HN THR 74 2.156 4.499 -16.874 553 HA THR 74 HA THR 74 1.516 3.042 -14.338 554 HB THR 74 HB THR 74 -0.600 4.518 -14.313 555 HG1 THR 74 HG1 THR 74 -0.356 5.008 -16.565 556 1HG2 THR 74 HG22 THR 74 2.122 5.930 -14.326 557 2HG2 THR 74 HG23 THR 74 0.641 6.659 -13.713 558 3HG2 THR 74 HG21 THR 74 1.327 5.252 -12.907 559 H ASP 75 HN ASP 75 1.610 2.467 -17.385 560 HA ASP 75 HA ASP 75 -0.982 0.992 -17.387 561 1HB ASP 75 HB2 ASP 75 0.294 2.438 -19.761 562 2HB ASP 75 HB1 ASP 75 -1.192 1.496 -19.825 563 H PHE 76 HN PHE 76 -0.781 -1.087 -17.817 564 HA PHE 76 HA PHE 76 1.521 -2.055 -19.415 565 1HB PHE 76 HB2 PHE 76 0.776 -3.223 -16.689 566 2HB PHE 76 HB1 PHE 76 2.156 -3.678 -17.687 567 HD1 PHE 76 HD2 PHE 76 4.059 -2.109 -17.966 568 HD2 PHE 76 HD1 PHE 76 0.819 -1.181 -15.362 569 HE1 PHE 76 HE2 PHE 76 5.400 -0.335 -16.929 570 HE2 PHE 76 HE1 PHE 76 2.166 0.590 -14.320 571 HZ PHE 76 HZ PHE 76 4.460 1.012 -15.101 572 H THR 77 HN THR 77 1.110 -3.997 -20.487 573 HA THR 77 HA THR 77 -1.419 -5.406 -19.899 574 HB THR 77 HB THR 77 -0.859 -3.905 -22.510 575 HG1 THR 77 HG1 THR 77 -2.016 -3.191 -20.438 576 1HG2 THR 77 HG23 THR 77 -2.286 -6.439 -22.130 577 2HG2 THR 77 HG21 THR 77 -3.442 -5.164 -22.493 578 3HG2 THR 77 HG22 THR 77 -2.127 -5.504 -23.614 579 H LEU 78 HN LEU 78 -1.418 -7.502 -20.481 580 HA LEU 78 HA LEU 78 1.114 -8.580 -21.606 581 1HB LEU 78 HB2 LEU 78 -0.092 -9.363 -19.392 582 2HB LEU 78 HB1 LEU 78 -1.199 -10.195 -20.474 583 HG LEU 78 HG LEU 78 1.719 -10.592 -20.989 584 1HD1 LEU 78 HD11 LEU 78 0.272 -11.400 -18.490 585 2HD1 LEU 78 HD12 LEU 78 1.408 -12.543 -19.203 586 3HD1 LEU 78 HD13 LEU 78 1.961 -10.947 -18.705 587 1HD2 LEU 78 HD22 LEU 78 -0.559 -11.652 -22.023 588 2HD2 LEU 78 HD23 LEU 78 0.972 -12.518 -21.985 589 3HD2 LEU 78 HD21 LEU 78 -0.239 -12.815 -20.742 590 H LYS 79 HN LYS 79 0.953 -8.546 -23.801 591 HA LYS 79 HA LYS 79 -1.587 -9.399 -25.068 592 1HB LYS 79 HB2 LYS 79 1.031 -8.365 -26.252 593 2HB LYS 79 HB1 LYS 79 -0.432 -8.683 -27.177 594 1HG LYS 79 HG1 LYS 79 -1.366 -7.074 -25.126 595 2HG LYS 79 HG2 LYS 79 0.226 -6.394 -25.443 596 1HD LYS 79 HD1 LYS 79 -0.712 -6.812 -27.998 597 2HD LYS 79 HD2 LYS 79 -2.194 -6.401 -27.146 598 1HE LYS 79 HE1 LYS 79 -1.397 -4.277 -26.521 599 2HE LYS 79 HE2 LYS 79 0.287 -4.735 -26.756 600 1HZ LYS 79 HZ1 LYS 79 0.028 -4.706 -29.081 601 2HZ LYS 79 HZ2 LYS 79 -1.665 -4.590 -28.978 602 H ILE 80 HN ILE 80 -1.889 -11.448 -25.645 603 HA ILE 80 HA ILE 80 0.520 -13.168 -26.002 604 HB ILE 80 HB ILE 80 -2.367 -14.052 -25.567 605 1HG1 ILE 80 HG11 ILE 80 -0.130 -13.722 -23.533 606 2HG1 ILE 80 HG12 ILE 80 -1.591 -12.745 -23.623 607 1HG2 ILE 80 HG21 ILE 80 -0.646 -15.662 -26.588 608 2HG2 ILE 80 HG22 ILE 80 0.279 -15.514 -25.097 609 3HG2 ILE 80 HG23 ILE 80 -1.333 -16.221 -25.068 610 1HD1 ILE 80 HD13 ILE 80 -2.914 -14.913 -23.351 611 2HD1 ILE 80 HD11 ILE 80 -1.384 -15.701 -22.974 612 3HD1 ILE 80 HD12 ILE 80 -1.990 -14.416 -21.936 613 H SER 81 HN SER 81 0.902 -14.251 -27.795 614 HA SER 81 HA SER 81 -0.436 -13.328 -30.153 615 1HB SER 81 HB2 SER 81 1.680 -15.457 -29.639 616 2HB SER 81 HB1 SER 81 1.056 -15.141 -31.270 617 HG SER 81 HG SER 81 2.877 -13.799 -30.681 618 NH1 ARG 82 NH1 ARG 82 1.349 -18.970 -34.992 619 NH2 ARG 82 NH2 ARG 82 0.571 -21.049 -34.497 620 H ARG 82 HN ARG 82 0.001 -16.725 -29.141 621 HA ARG 82 HA ARG 82 -2.807 -17.185 -30.052 622 1HB ARG 82 HB2 ARG 82 -1.646 -19.642 -30.430 623 2HB ARG 82 HB1 ARG 82 -1.770 -18.434 -31.699 624 1HG ARG 82 HG1 ARG 82 0.487 -17.599 -31.144 625 2HG ARG 82 HG2 ARG 82 0.611 -18.779 -29.842 626 1HD ARG 82 HD1 ARG 82 1.750 -19.624 -31.864 627 2HD ARG 82 HD2 ARG 82 0.334 -20.614 -31.509 628 HE ARG 82 HE ARG 82 -0.693 -18.753 -33.243 629 1HH1 ARG 82 HH11 ARG 82 1.414 -18.003 -34.751 630 2HH1 ARG 82 HH12 ARG 82 1.795 -19.311 -35.818 631 1HH2 ARG 82 HH21 ARG 82 0.051 -21.643 -33.885 632 2HH2 ARG 82 HH22 ARG 82 1.005 -21.428 -35.312 633 H VAL 83 HN VAL 83 -3.885 -17.401 -28.236 634 HA VAL 83 HA VAL 83 -2.848 -18.444 -25.786 635 HB VAL 83 HB VAL 83 -5.691 -18.128 -26.850 636 1HG1 VAL 83 HG13 VAL 83 -4.666 -19.306 -24.316 637 2HG1 VAL 83 HG11 VAL 83 -5.973 -18.138 -24.145 638 3HG1 VAL 83 HG12 VAL 83 -6.200 -19.574 -25.138 639 1HG2 VAL 83 HG23 VAL 83 -4.283 -16.072 -26.491 640 2HG2 VAL 83 HG21 VAL 83 -5.708 -16.131 -25.458 641 3HG2 VAL 83 HG22 VAL 83 -4.125 -16.531 -24.797 642 H GLU 84 HN GLU 84 -2.021 -20.430 -25.755 643 HA GLU 84 HA GLU 84 -3.443 -22.661 -27.089 644 1HB GLU 84 HB2 GLU 84 -0.728 -22.296 -25.771 645 2HB GLU 84 HB1 GLU 84 -1.336 -23.912 -26.105 646 1HG GLU 84 HG1 GLU 84 -1.234 -23.621 -28.415 647 2HG GLU 84 HG2 GLU 84 -1.434 -21.875 -28.310 648 H ALA 85 HN ALA 85 -3.419 -24.779 -25.724 649 HA ALA 85 HA ALA 85 -5.217 -24.474 -23.567 650 1HB ALA 85 HB2 ALA 85 -3.265 -26.722 -24.247 651 2HB ALA 85 HB3 ALA 85 -4.499 -26.871 -23.000 652 3HB ALA 85 HB1 ALA 85 -4.970 -26.635 -24.680 653 H GLU 86 HN GLU 86 -1.740 -24.338 -23.614 654 HA GLU 86 HA GLU 86 -1.376 -24.680 -20.752 655 1HB GLU 86 HB2 GLU 86 0.386 -23.486 -22.941 656 2HB GLU 86 HB1 GLU 86 0.929 -23.719 -21.284 657 1HG GLU 86 HG1 GLU 86 -0.226 -26.182 -22.041 658 2HG GLU 86 HG2 GLU 86 0.730 -25.668 -23.427 659 H ASP 87 HN ASP 87 -1.633 -21.903 -22.914 660 HA ASP 87 HA ASP 87 -1.000 -19.871 -21.033 661 1HB ASP 87 HB2 ASP 87 -2.919 -19.852 -23.410 662 2HB ASP 87 HB1 ASP 87 -2.366 -18.399 -22.582 663 H LEU 88 HN LEU 88 -3.600 -21.998 -20.969 664 HA LEU 88 HA LEU 88 -5.639 -20.238 -19.941 665 1HB LEU 88 HB2 LEU 88 -5.219 -23.243 -19.665 666 2HB LEU 88 HB1 LEU 88 -6.679 -22.405 -19.150 667 HG LEU 88 HG LEU 88 -5.582 -22.266 -21.976 668 1HD1 LEU 88 HD13 LEU 88 -6.286 -24.582 -21.295 669 2HD1 LEU 88 HD11 LEU 88 -7.876 -23.939 -20.897 670 3HD1 LEU 88 HD12 LEU 88 -7.299 -23.896 -22.560 671 1HD2 LEU 88 HD21 LEU 88 -8.242 -21.496 -20.715 672 2HD2 LEU 88 HD22 LEU 88 -7.031 -20.381 -21.338 673 3HD2 LEU 88 HD23 LEU 88 -7.900 -21.440 -22.441 674 H GLY 89 HN GLY 89 -6.351 -19.921 -17.873 675 1HA GLY 89 HA1 GLY 89 -5.961 -20.741 -15.428 676 2HA GLY 89 HA2 GLY 89 -4.280 -20.318 -15.759 677 H ILE 90 HN ILE 90 -4.517 -18.772 -13.970 678 HA ILE 90 HA ILE 90 -6.045 -16.336 -14.805 679 HB ILE 90 HB ILE 90 -5.072 -17.101 -12.010 680 1HG1 ILE 90 HG11 ILE 90 -7.881 -17.235 -13.161 681 2HG1 ILE 90 HG12 ILE 90 -6.847 -18.634 -12.901 682 1HG2 ILE 90 HG22 ILE 90 -5.405 -14.646 -12.455 683 2HG2 ILE 90 HG23 ILE 90 -7.038 -14.981 -13.022 684 3HG2 ILE 90 HG21 ILE 90 -6.619 -15.252 -11.334 685 1HD1 ILE 90 HD13 ILE 90 -6.650 -17.742 -10.451 686 2HD1 ILE 90 HD11 ILE 90 -8.084 -16.798 -10.848 687 3HD1 ILE 90 HD12 ILE 90 -8.138 -18.557 -10.924 688 OH TYR 91 OH TYR 91 -0.737 -16.703 -20.143 689 H TYR 91 HN TYR 91 -4.989 -14.466 -15.082 690 HA TYR 91 HA TYR 91 -2.027 -14.552 -14.779 691 1HB TYR 91 HB2 TYR 91 -3.969 -12.987 -16.491 692 2HB TYR 91 HB1 TYR 91 -2.370 -12.312 -16.189 693 HD1 TYR 91 HD2 TYR 91 -4.201 -15.151 -17.681 694 HD2 TYR 91 HD1 TYR 91 -0.387 -13.351 -17.122 695 HE1 TYR 91 HE2 TYR 91 -3.243 -16.651 -19.369 696 HE2 TYR 91 HE1 TYR 91 0.569 -14.839 -18.816 697 HH TYR 91 HH TYR 91 -1.422 -17.326 -20.404 698 H PHE 92 HN PHE 92 -0.885 -12.842 -13.837 699 HA PHE 92 HA PHE 92 -2.466 -10.870 -12.263 700 1HB PHE 92 HB2 PHE 92 -0.296 -12.715 -11.145 701 2HB PHE 92 HB1 PHE 92 -1.041 -11.393 -10.250 702 HD1 PHE 92 HD2 PHE 92 -1.594 -14.736 -11.696 703 HD2 PHE 92 HD1 PHE 92 -3.340 -11.568 -9.449 704 HE1 PHE 92 HE2 PHE 92 -3.424 -16.224 -11.020 705 HE2 PHE 92 HE1 PHE 92 -5.172 -13.060 -8.773 706 HZ PHE 92 HZ PHE 92 -5.217 -15.387 -9.561 707 H CYS 93 HN CYS 93 -1.361 -8.982 -11.778 708 HA CYS 93 HA CYS 93 1.382 -8.740 -12.939 709 1HB CYS 93 HB2 CYS 93 0.748 -6.468 -13.720 710 2HB CYS 93 HB1 CYS 93 -0.224 -7.701 -14.479 711 H SER 94 HN SER 94 2.808 -7.549 -11.747 712 HA SER 94 HA SER 94 1.761 -6.038 -9.415 713 1HB SER 94 HB2 SER 94 2.392 -8.572 -8.908 714 2HB SER 94 HB1 SER 94 4.060 -7.970 -8.982 715 HG SER 94 HG SER 94 3.698 -6.706 -7.296 716 H GLN 95 HN GLN 95 3.476 -4.778 -8.325 717 HA GLN 95 HA GLN 95 5.604 -4.024 -10.297 718 1HB GLN 95 HB2 GLN 95 5.422 -1.728 -9.244 719 2HB GLN 95 HB1 GLN 95 3.935 -2.241 -10.033 720 1HG GLN 95 HG1 GLN 95 2.804 -2.072 -8.083 721 2HG GLN 95 HG2 GLN 95 3.912 -3.205 -7.317 722 1HE2 GLN 95 HE22 GLN 95 4.017 0.315 -5.794 723 2HE2 GLN 95 HE21 GLN 95 2.692 -0.611 -6.306 724 H THR 96 HN THR 96 7.522 -3.049 -9.343 725 HA THR 96 HA THR 96 8.088 -3.958 -6.564 726 HB THR 96 HB THR 96 10.505 -4.516 -7.779 727 HG1 THR 96 HG1 THR 96 8.881 -3.967 -9.720 728 1HG2 THR 96 HG22 THR 96 8.693 -6.097 -6.559 729 2HG2 THR 96 HG23 THR 96 8.252 -6.509 -8.213 730 3HG2 THR 96 HG21 THR 96 9.885 -6.821 -7.633 731 H THR 97 HN THR 97 7.525 -1.372 -7.688 732 HA THR 97 HA THR 97 10.163 0.004 -7.543 733 HB THR 97 HB THR 97 7.380 1.115 -8.262 734 HG1 THR 97 HG1 THR 97 8.503 1.002 -10.378 735 1HG2 THR 97 HG22 THR 97 9.169 2.834 -7.589 736 2HG2 THR 97 HG23 THR 97 10.216 2.150 -8.831 737 3HG2 THR 97 HG21 THR 97 8.713 2.948 -9.287 738 H HIS 98 HN HIS 98 7.059 -0.250 -5.920 739 HA HIS 98 HA HIS 98 8.051 1.621 -3.810 740 1HB HIS 98 HB2 HIS 98 5.314 0.785 -4.789 741 2HB HIS 98 HB1 HIS 98 5.482 1.345 -3.129 742 HD2 HIS 98 HD2 HIS 98 6.041 2.714 -6.789 743 HE1 HIS 98 HE1 HIS 98 5.843 5.913 -4.178 744 H VAL 99 HN VAL 99 7.324 1.050 -1.568 745 HA VAL 99 HA VAL 99 7.218 -1.893 -1.134 746 HB VAL 99 HB VAL 99 9.056 0.046 0.354 747 1HG1 VAL 99 HG11 VAL 99 8.131 -1.991 1.606 748 2HG1 VAL 99 HG12 VAL 99 9.012 -2.986 0.450 749 3HG1 VAL 99 HG13 VAL 99 9.886 -1.890 1.514 750 1HG2 VAL 99 HG22 VAL 99 9.610 -2.042 -1.780 751 2HG2 VAL 99 HG23 VAL 99 9.930 -0.313 -1.878 752 3HG2 VAL 99 HG21 VAL 99 10.867 -1.320 -0.779 753 HA PRO 100 HA PRO 100 6.890 -3.292 0.372 754 1HB PRO 100 HB2 PRO 100 4.285 -4.415 0.746 755 2HB PRO 100 HB1 PRO 100 5.624 -4.470 1.893 756 1HG PRO 100 HG1 PRO 100 3.174 -2.888 2.039 757 2HG PRO 100 HG2 PRO 100 4.422 -3.094 3.270 758 1HD PRO 100 HD1 PRO 100 3.950 -0.780 1.625 759 2HD PRO 100 HD2 PRO 100 5.248 -1.013 2.811 760 HA PRO 101 HA PRO 101 5.630 -3.435 -3.814 761 1HB PRO 101 HB2 PRO 101 5.535 -6.353 -3.861 762 2HB PRO 101 HB1 PRO 101 6.785 -5.303 -4.527 763 1HG PRO 101 HG1 PRO 101 6.942 -6.936 -2.155 764 2HG PRO 101 HG2 PRO 101 8.183 -5.864 -2.805 765 1HD PRO 101 HD1 PRO 101 6.579 -5.469 -0.441 766 2HD PRO 101 HD2 PRO 101 7.801 -4.374 -1.116 767 H THR 102 HN THR 102 3.605 -3.169 -4.592 768 HA THR 102 HA THR 102 1.385 -4.534 -3.180 769 HB THR 102 HB THR 102 -0.012 -2.900 -4.686 770 HG1 THR 102 HG1 THR 102 1.890 -2.729 -6.095 771 1HG2 THR 102 HG21 THR 102 2.165 -1.782 -2.829 772 2HG2 THR 102 HG22 THR 102 0.762 -0.869 -3.373 773 3HG2 THR 102 HG23 THR 102 0.549 -2.265 -2.323 774 H PHE 103 HN PHE 103 0.605 -6.342 -3.942 775 HA PHE 103 HA PHE 103 0.848 -6.911 -6.862 776 1HB PHE 103 HB2 PHE 103 -0.068 -9.030 -4.933 777 2HB PHE 103 HB1 PHE 103 1.026 -9.180 -6.303 778 HD1 PHE 103 HD1 PHE 103 0.784 -8.050 -2.777 779 HD2 PHE 103 HD2 PHE 103 3.403 -8.955 -6.012 780 HE1 PHE 103 HE1 PHE 103 2.699 -8.004 -1.242 781 HE2 PHE 103 HE2 PHE 103 5.317 -8.916 -4.473 782 HZ PHE 103 HZ PHE 103 4.966 -8.441 -2.085 783 H GLY 104 HN GLY 104 -1.101 -8.650 -7.370 784 1HA GLY 104 HA1 GLY 104 -3.599 -8.715 -6.461 785 2HA GLY 104 HA2 GLY 104 -3.536 -7.011 -6.890 786 H GLY 105 HN GLY 105 -5.432 -8.250 -8.106 787 1HA GLY 105 HA1 GLY 105 -6.032 -8.060 -10.482 788 2HA GLY 105 HA2 GLY 105 -4.430 -8.673 -10.889 789 H GLY 106 HN GLY 106 -6.359 -9.982 -12.111 790 1HA GLY 106 HA1 GLY 106 -6.075 -12.668 -11.382 791 2HA GLY 106 HA2 GLY 106 -7.543 -12.127 -10.573 792 H THR 107 HN THR 107 -6.033 -11.809 -13.791 793 HA THR 107 HA THR 107 -8.664 -11.721 -15.053 794 HB THR 107 HB THR 107 -5.939 -12.149 -16.411 795 HG1 THR 107 HG1 THR 107 -7.383 -9.811 -15.654 796 1HG2 THR 107 HG23 THR 107 -8.610 -11.970 -17.403 797 2HG2 THR 107 HG21 THR 107 -7.943 -10.353 -17.616 798 3HG2 THR 107 HG22 THR 107 -7.147 -11.738 -18.357 799 H LYS 108 HN LYS 108 -9.815 -13.510 -14.956 800 HA LYS 108 HA LYS 108 -8.638 -16.159 -15.013 801 1HB LYS 108 HB2 LYS 108 -11.447 -15.035 -15.024 802 2HB LYS 108 HB1 LYS 108 -11.195 -16.748 -15.342 803 1HG LYS 108 HG1 LYS 108 -10.062 -17.043 -13.217 804 2HG LYS 108 HG2 LYS 108 -10.054 -15.307 -12.928 805 1HD LYS 108 HD1 LYS 108 -11.948 -15.785 -11.729 806 2HD LYS 108 HD2 LYS 108 -12.707 -15.681 -13.311 807 1HE LYS 108 HE1 LYS 108 -13.122 -17.922 -13.386 808 2HE LYS 108 HE2 LYS 108 -11.540 -18.327 -12.731 809 1HZ LYS 108 HZ1 LYS 108 -13.139 -18.985 -11.148 810 2HZ LYS 108 HZ2 LYS 108 -12.412 -17.577 -10.529 811 H LEU 109 HN LEU 109 -7.685 -16.774 -16.836 812 HA LEU 109 HA LEU 109 -9.044 -16.242 -19.430 813 1HB LEU 109 HB2 LEU 109 -6.465 -15.845 -18.824 814 2HB LEU 109 HB1 LEU 109 -6.336 -17.563 -19.179 815 HG LEU 109 HG LEU 109 -7.912 -16.530 -21.264 816 1HD1 LEU 109 HD11 LEU 109 -7.197 -14.253 -20.510 817 2HD1 LEU 109 HD12 LEU 109 -5.518 -14.734 -20.736 818 3HD1 LEU 109 HD13 LEU 109 -6.602 -14.644 -22.121 819 1HD2 LEU 109 HD21 LEU 109 -5.027 -17.365 -20.964 820 2HD2 LEU 109 HD22 LEU 109 -6.348 -18.228 -21.746 821 3HD2 LEU 109 HD23 LEU 109 -5.638 -16.815 -22.521 822 H GLU 110 HN GLU 110 -10.650 -17.768 -19.312 823 HA GLU 110 HA GLU 110 -9.708 -20.605 -19.412 824 1HB GLU 110 HB2 GLU 110 -11.866 -19.278 -17.919 825 2HB GLU 110 HB1 GLU 110 -12.473 -20.622 -18.880 826 1HG GLU 110 HG1 GLU 110 -10.586 -22.029 -17.916 827 2HG GLU 110 HG2 GLU 110 -10.258 -20.699 -16.809 828 H ILE 111 HN ILE 111 -10.538 -21.926 -20.970 829 HA ILE 111 HA ILE 111 -11.226 -20.750 -23.470 830 HB ILE 111 HB ILE 111 -12.038 -23.570 -22.681 831 1HG1 ILE 111 HG11 ILE 111 -9.242 -22.810 -23.568 832 2HG1 ILE 111 HG12 ILE 111 -9.669 -23.021 -21.875 833 1HG2 ILE 111 HG21 ILE 111 -12.562 -22.644 -24.968 834 2HG2 ILE 111 HG22 ILE 111 -10.840 -22.370 -25.222 835 3HG2 ILE 111 HG23 ILE 111 -11.454 -24.011 -25.046 836 1HD1 ILE 111 HD12 ILE 111 -10.691 -25.303 -22.695 837 2HD1 ILE 111 HD13 ILE 111 -9.628 -25.070 -24.078 838 3HD1 ILE 111 HD11 ILE 111 -8.952 -25.180 -22.457 839 H LYS 112 HN LYS 112 -13.095 -20.011 -24.222 840 HA LYS 112 HA LYS 112 -15.422 -19.747 -22.657 841 1HB LYS 112 HB2 LYS 112 -14.885 -18.464 -24.777 842 2HB LYS 112 HB1 LYS 112 -15.258 -19.911 -25.707 843 1HG LYS 112 HG1 LYS 112 -17.321 -19.030 -23.743 844 2HG LYS 112 HG2 LYS 112 -17.108 -18.011 -25.162 845 1HD LYS 112 HD1 LYS 112 -17.526 -19.869 -26.654 846 2HD LYS 112 HD2 LYS 112 -17.480 -21.020 -25.326 847 1HE LYS 112 HE1 LYS 112 -19.421 -19.442 -24.376 848 2HE LYS 112 HE2 LYS 112 -19.635 -19.093 -26.087 849 1HZ LYS 112 HZ1 LYS 112 -19.312 -21.891 -25.483 850 2HZ LYS 112 HZ2 LYS 112 -20.694 -21.195 -24.794 851 NH1 ARG 113 NH1 ARG 113 -15.826 -28.150 -19.960 852 NH2 ARG 113 NH2 ARG 113 -14.333 -27.607 -21.591 853 H ARG 113 HN ARG 113 -17.018 -21.098 -22.136 854 HA ARG 113 HA ARG 113 -17.013 -23.797 -23.380 855 1HB ARG 113 HB2 ARG 113 -18.345 -22.650 -20.880 856 2HB ARG 113 HB1 ARG 113 -18.608 -24.298 -21.436 857 1HG ARG 113 HG1 ARG 113 -15.889 -23.120 -20.769 858 2HG ARG 113 HG2 ARG 113 -16.825 -24.149 -19.690 859 1HD ARG 113 HD1 ARG 113 -16.868 -25.722 -21.875 860 2HD ARG 113 HD2 ARG 113 -15.359 -24.865 -22.194 861 HE ARG 113 HE ARG 113 -15.058 -25.617 -19.572 862 1HH1 ARG 113 HH11 ARG 113 -16.462 -27.848 -19.252 863 2HH1 ARG 113 HH12 ARG 113 -15.691 -29.126 -20.131 864 1HH2 ARG 113 HH21 ARG 113 -13.850 -26.900 -22.104 865 2HH2 ARG 113 HH22 ARG 113 -14.170 -28.571 -21.794 Start of MODEL 9 Raw file had 865 H/Q atoms Start of MODEL 9 1 1H ASP 1 HT2 ASP 1 2.361 -0.932 1.984 2 2H ASP 1 HT3 ASP 1 0.971 -0.300 1.240 3 3H ASP 1 HT1 ASP 1 1.334 -1.952 1.095 4 HA ASP 1 HA ASP 1 2.934 -1.643 -0.456 5 1HB ASP 1 HB2 ASP 1 1.559 1.019 -0.926 6 2HB ASP 1 HB1 ASP 1 2.045 -0.187 -2.115 7 H VAL 2 HN VAL 2 4.486 -0.174 -1.544 8 HA VAL 2 HA VAL 2 6.163 0.926 0.505 9 HB VAL 2 HB VAL 2 6.324 1.063 -2.540 10 1HG1 VAL 2 HG11 VAL 2 8.340 1.864 -0.413 11 2HG1 VAL 2 HG12 VAL 2 8.739 1.663 -2.115 12 3HG1 VAL 2 HG13 VAL 2 7.609 2.917 -1.619 13 1HG2 VAL 2 HG22 VAL 2 7.383 -0.795 -0.423 14 2HG2 VAL 2 HG23 VAL 2 6.660 -1.184 -1.982 15 3HG2 VAL 2 HG21 VAL 2 8.306 -0.564 -1.903 16 H VAL 3 HN VAL 3 6.075 2.903 1.356 17 HA VAL 3 HA VAL 3 4.278 4.910 0.257 18 HB VAL 3 HB VAL 3 6.400 5.510 2.343 19 1HG1 VAL 3 HG11 VAL 3 4.778 7.257 1.593 20 2HG1 VAL 3 HG12 VAL 3 3.455 6.223 2.122 21 3HG1 VAL 3 HG13 VAL 3 4.594 6.868 3.299 22 1HG2 VAL 3 HG21 VAL 3 4.050 3.634 2.607 23 2HG2 VAL 3 HG22 VAL 3 5.692 3.436 3.212 24 3HG2 VAL 3 HG23 VAL 3 4.597 4.571 3.993 25 H MET 4 HN MET 4 4.821 6.915 -0.621 26 HA MET 4 HA MET 4 7.649 7.458 -1.274 27 1HB MET 4 HB2 MET 4 5.543 6.573 -3.203 28 2HB MET 4 HB1 MET 4 6.482 7.969 -3.719 29 1HG MET 4 HG1 MET 4 8.532 6.548 -2.953 30 2HG MET 4 HG2 MET 4 7.434 5.197 -3.051 31 1HE MET 4 HE2 MET 4 10.099 6.913 -4.423 32 2HE MET 4 HE3 MET 4 10.202 5.166 -4.641 33 3HE MET 4 HE1 MET 4 10.257 6.236 -6.042 34 H THR 5 HN THR 5 7.966 9.493 -0.783 35 HA THR 5 HA THR 5 5.709 11.428 -1.134 36 HB THR 5 HB THR 5 7.914 11.210 0.976 37 HG1 THR 5 HG1 THR 5 5.148 11.805 1.157 38 1HG2 THR 5 HG21 THR 5 6.192 13.603 0.148 39 2HG2 THR 5 HG22 THR 5 6.758 13.422 1.804 40 3HG2 THR 5 HG23 THR 5 7.918 13.606 0.493 41 H GLN 6 HN GLN 6 6.019 12.908 -2.640 42 HA GLN 6 HA GLN 6 8.758 13.365 -3.682 43 1HB GLN 6 HB2 GLN 6 5.948 13.836 -4.673 44 2HB GLN 6 HB1 GLN 6 7.238 14.829 -5.341 45 1HG GLN 6 HG1 GLN 6 7.028 12.882 -6.765 46 2HG GLN 6 HG2 GLN 6 8.505 12.684 -5.829 47 1HE2 GLN 6 HE22 GLN 6 5.268 10.317 -4.947 48 2HE2 GLN 6 HE21 GLN 6 5.026 11.792 -5.749 49 H THR 7 HN THR 7 9.704 15.365 -3.798 50 HA THR 7 HA THR 7 8.372 17.768 -2.810 51 HB THR 7 HB THR 7 10.704 17.621 -1.125 52 HG1 THR 7 HG1 THR 7 9.046 15.310 -1.034 53 1HG2 THR 7 HG22 THR 7 7.697 17.313 -0.690 54 2HG2 THR 7 HG23 THR 7 8.802 17.094 0.662 55 3HG2 THR 7 HG21 THR 7 8.729 18.641 -0.173 56 HA PRO 8 HA PRO 8 9.294 19.629 -1.832 57 1HB PRO 8 HB2 PRO 8 9.340 22.131 -3.181 58 2HB PRO 8 HB1 PRO 8 10.392 21.658 -1.847 59 1HG PRO 8 HG1 PRO 8 11.072 21.994 -4.667 60 2HG PRO 8 HG2 PRO 8 12.157 21.722 -3.304 61 1HD PRO 8 HD1 PRO 8 11.348 19.823 -5.326 62 2HD PRO 8 HD2 PRO 8 12.440 19.551 -3.954 63 H LEU 9 HN LEU 9 7.296 21.107 -2.090 64 HA LEU 9 HA LEU 9 5.530 19.838 -4.038 65 1HB LEU 9 HB2 LEU 9 5.270 21.764 -1.747 66 2HB LEU 9 HB1 LEU 9 4.011 21.835 -2.973 67 HG LEU 9 HG LEU 9 3.812 19.293 -2.731 68 1HD1 LEU 9 HD12 LEU 9 5.559 19.948 -0.334 69 2HD1 LEU 9 HD13 LEU 9 4.635 18.458 -0.479 70 3HD1 LEU 9 HD11 LEU 9 5.917 18.813 -1.632 71 1HD2 LEU 9 HD22 LEU 9 3.202 21.040 -0.319 72 2HD2 LEU 9 HD23 LEU 9 2.176 20.858 -1.738 73 3HD2 LEU 9 HD21 LEU 9 2.446 19.489 -0.666 74 H SER 10 HN SER 10 7.095 22.941 -3.643 75 HA SER 10 HA SER 10 6.283 23.639 -6.426 76 1HB SER 10 HB2 SER 10 6.329 26.121 -5.269 77 2HB SER 10 HB1 SER 10 4.848 25.144 -5.296 78 HG SER 10 HG SER 10 5.597 25.886 -3.157 79 H LEU 11 HN LEU 11 7.709 25.213 -7.441 80 HA LEU 11 HA LEU 11 10.322 25.610 -6.090 81 1HB LEU 11 HB2 LEU 11 10.107 23.433 -7.612 82 2HB LEU 11 HB1 LEU 11 10.273 24.579 -8.933 83 HG LEU 11 HG LEU 11 12.316 25.463 -7.471 84 1HD1 LEU 11 HD13 LEU 11 11.783 23.872 -5.599 85 2HD1 LEU 11 HD11 LEU 11 12.136 22.533 -6.686 86 3HD1 LEU 11 HD12 LEU 11 13.410 23.662 -6.236 87 1HD2 LEU 11 HD23 LEU 11 12.252 22.990 -9.225 88 2HD2 LEU 11 HD21 LEU 11 12.658 24.637 -9.700 89 3HD2 LEU 11 HD22 LEU 11 13.757 23.721 -8.675 90 HA PRO 12 HA PRO 12 8.866 29.253 -8.547 91 1HB PRO 12 HB2 PRO 12 9.740 30.938 -6.377 92 2HB PRO 12 HB1 PRO 12 8.074 30.587 -6.840 93 1HG PRO 12 HG1 PRO 12 9.523 29.632 -4.517 94 2HG PRO 12 HG2 PRO 12 7.835 29.343 -4.937 95 1HD PRO 12 HD1 PRO 12 10.040 27.480 -5.087 96 2HD PRO 12 HD2 PRO 12 8.342 27.189 -5.508 97 H VAL 13 HN VAL 13 10.410 29.683 -10.021 98 HA VAL 13 HA VAL 13 13.042 30.695 -9.058 99 HB VAL 13 HB VAL 13 14.260 29.197 -10.578 100 1HG1 VAL 13 HG13 VAL 13 13.563 28.279 -8.333 101 2HG1 VAL 13 HG11 VAL 13 12.179 27.536 -9.121 102 3HG1 VAL 13 HG12 VAL 13 13.807 27.037 -9.556 103 1HG2 VAL 13 HG23 VAL 13 11.471 28.603 -11.555 104 2HG2 VAL 13 HG21 VAL 13 12.925 28.940 -12.491 105 3HG2 VAL 13 HG22 VAL 13 12.717 27.369 -11.725 106 H SER 14 HN SER 14 14.381 31.035 -11.285 107 HA SER 14 HA SER 14 12.616 32.726 -13.011 108 1HB SER 14 HB2 SER 14 15.014 33.383 -11.487 109 2HB SER 14 HB1 SER 14 15.343 33.598 -13.218 110 HG SER 14 HG SER 14 14.248 35.400 -12.116 111 H LEU 15 HN LEU 15 13.225 32.819 -15.258 112 HA LEU 15 HA LEU 15 14.068 30.264 -16.277 113 1HB LEU 15 HB2 LEU 15 13.818 32.955 -17.700 114 2HB LEU 15 HB1 LEU 15 13.940 31.390 -18.496 115 HG LEU 15 HG LEU 15 11.694 32.360 -16.693 116 1HD1 LEU 15 HD12 LEU 15 11.907 31.565 -19.611 117 2HD1 LEU 15 HD13 LEU 15 10.367 31.760 -18.780 118 3HD1 LEU 15 HD11 LEU 15 11.451 33.137 -18.960 119 1HD2 LEU 15 HD22 LEU 15 12.543 29.615 -17.513 120 2HD2 LEU 15 HD23 LEU 15 11.688 30.134 -16.064 121 3HD2 LEU 15 HD21 LEU 15 10.823 29.964 -17.588 122 H GLY 16 HN GLY 16 16.062 29.905 -15.379 123 1HA GLY 16 HA1 GLY 16 18.352 30.011 -16.740 124 2HA GLY 16 HA2 GLY 16 18.311 31.677 -16.167 125 H ASP 17 HN ASP 17 17.400 28.630 -14.599 126 HA ASP 17 HA ASP 17 19.615 28.984 -12.655 127 1HB ASP 17 HB2 ASP 17 16.654 29.151 -12.108 128 2HB ASP 17 HB1 ASP 17 17.660 28.354 -10.902 129 H GLN 18 HN GLN 18 19.512 27.071 -11.027 130 HA GLN 18 HA GLN 18 19.276 24.620 -12.685 131 1HB GLN 18 HB2 GLN 18 20.596 25.252 -10.009 132 2HB GLN 18 HB1 GLN 18 20.477 23.607 -10.625 133 1HG GLN 18 HG1 GLN 18 21.765 24.177 -12.602 134 2HG GLN 18 HG2 GLN 18 21.729 25.889 -12.190 135 1HE2 GLN 18 HE22 GLN 18 23.749 24.173 -9.184 136 2HE2 GLN 18 HE21 GLN 18 22.062 24.081 -9.341 137 H ALA 19 HN ALA 19 18.213 22.740 -11.888 138 HA ALA 19 HA ALA 19 16.120 23.335 -9.827 139 1HB ALA 19 HB1 ALA 19 15.566 22.972 -12.454 140 2HB ALA 19 HB2 ALA 19 15.626 21.280 -11.971 141 3HB ALA 19 HB3 ALA 19 14.483 22.375 -11.201 142 H SER 20 HN SER 20 15.328 21.465 -8.655 143 HA SER 20 HA SER 20 16.829 18.963 -8.809 144 1HB SER 20 HB2 SER 20 17.700 19.219 -6.405 145 2HB SER 20 HB1 SER 20 18.448 20.355 -7.544 146 HG SER 20 HG SER 20 16.124 20.868 -5.990 147 H ILE 21 HN ILE 21 14.639 18.222 -9.064 148 HA ILE 21 HA ILE 21 12.795 18.552 -6.799 149 HB ILE 21 HB ILE 21 12.600 16.652 -9.169 150 1HG1 ILE 21 HG11 ILE 21 11.105 19.219 -9.201 151 2HG1 ILE 21 HG12 ILE 21 12.843 19.359 -9.426 152 1HG2 ILE 21 HG23 ILE 21 10.738 17.673 -7.024 153 2HG2 ILE 21 HG21 ILE 21 10.058 17.338 -8.611 154 3HG2 ILE 21 HG22 ILE 21 10.853 16.055 -7.708 155 1HD1 ILE 21 HD11 ILE 21 11.424 17.222 -10.966 156 2HD1 ILE 21 HD12 ILE 21 11.198 18.888 -11.485 157 3HD1 ILE 21 HD13 ILE 21 12.814 18.200 -11.426 158 H SER 22 HN SER 22 12.728 17.299 -5.107 159 HA SER 22 HA SER 22 14.450 14.916 -4.961 160 1HB SER 22 HB2 SER 22 12.680 15.843 -2.681 161 2HB SER 22 HB1 SER 22 14.346 15.230 -2.625 162 HG SER 22 HG SER 22 14.975 17.225 -2.816 163 H CYS 23 HN CYS 23 13.789 12.910 -4.212 164 HA CYS 23 HA CYS 23 10.943 12.212 -4.015 165 1HB CYS 23 HB2 CYS 23 12.714 11.456 -6.346 166 2HB CYS 23 HB1 CYS 23 11.472 10.352 -5.829 167 NH1 ARG 24 NH2 ARG 24 10.632 12.806 1.835 168 NH2 ARG 24 NH1 ARG 24 12.341 14.180 2.438 169 H ARG 24 HN ARG 24 11.121 11.104 -2.140 170 HA ARG 24 HA ARG 24 13.252 9.002 -1.992 171 1HB ARG 24 HB2 ARG 24 11.930 10.544 0.288 172 2HB ARG 24 HB1 ARG 24 13.224 9.364 0.464 173 1HG ARG 24 HG1 ARG 24 14.833 10.780 -0.447 174 2HG ARG 24 HG2 ARG 24 13.657 11.682 -1.393 175 1HD ARG 24 HD1 ARG 24 13.806 11.783 1.639 176 2HD ARG 24 HD2 ARG 24 14.567 12.968 0.577 177 HE ARG 24 HE ARG 24 12.094 13.209 -0.338 178 1HH1 ARG 24 HH21 ARG 24 10.250 12.154 1.182 179 2HH1 ARG 24 HH22 ARG 24 10.117 13.054 2.656 180 1HH2 ARG 24 HH11 ARG 24 13.243 14.561 2.240 181 2HH2 ARG 24 HH12 ARG 24 11.855 14.451 3.267 182 H SER 25 HN SER 25 12.746 7.179 -0.568 183 HA SER 25 HA SER 25 9.832 6.574 -0.372 184 1HB SER 25 HB2 SER 25 10.314 4.262 -1.277 185 2HB SER 25 HB1 SER 25 10.735 5.505 -2.471 186 HG SER 25 HG SER 25 12.821 5.228 -2.060 187 H SER 26 HN SER 26 9.428 4.640 1.025 188 HA SER 26 HA SER 26 11.036 4.900 3.451 189 1HB SER 26 HB2 SER 26 8.567 3.307 2.661 190 2HB SER 26 HB1 SER 26 9.367 3.025 4.220 191 HG SER 26 HG SER 26 8.065 5.296 3.256 192 H GLN 27 HN GLN 27 10.787 2.570 0.852 193 HA GLN 27 HA GLN 27 12.947 1.007 2.195 194 1HB GLN 27 HB2 GLN 27 10.433 0.052 1.870 195 2HB GLN 27 HB1 GLN 27 11.071 -0.349 0.278 196 1HG GLN 27 HG1 GLN 27 12.955 -1.547 1.326 197 2HG GLN 27 HG2 GLN 27 12.351 -1.114 2.922 198 1HE2 GLN 27 HE22 GLN 27 10.009 -3.706 0.747 199 2HE2 GLN 27 HE21 GLN 27 10.777 -2.420 -0.051 200 H SER 28 HN SER 28 14.586 0.240 0.909 201 HA SER 28 HA SER 28 15.264 1.720 -1.420 202 1HB SER 28 HB2 SER 28 16.225 -1.063 -0.553 203 2HB SER 28 HB1 SER 28 17.064 -0.002 -1.701 204 HG SER 28 HG SER 28 17.705 0.171 0.593 205 H LEU 29 HN LEU 29 14.609 1.556 -3.464 206 HA LEU 29 HA LEU 29 12.739 -0.570 -4.205 207 1HB LEU 29 HB2 LEU 29 13.946 1.515 -6.061 208 2HB LEU 29 HB1 LEU 29 12.395 0.708 -6.223 209 HG LEU 29 HG LEU 29 12.989 2.419 -3.805 210 1HD1 LEU 29 HD13 LEU 29 13.282 3.577 -6.167 211 2HD1 LEU 29 HD11 LEU 29 11.522 3.506 -6.193 212 3HD1 LEU 29 HD12 LEU 29 12.349 4.378 -4.906 213 1HD2 LEU 29 HD21 LEU 29 10.547 1.317 -5.197 214 2HD2 LEU 29 HD22 LEU 29 11.014 1.157 -3.506 215 3HD2 LEU 29 HD23 LEU 29 10.416 2.698 -4.113 216 H VAL 30 HN VAL 30 15.470 -1.355 -3.616 217 HA VAL 30 HA VAL 30 16.594 -2.111 -6.241 218 HB VAL 30 HB VAL 30 17.510 -2.812 -3.407 219 1HG1 VAL 30 HG13 VAL 30 18.725 -3.128 -6.159 220 2HG1 VAL 30 HG11 VAL 30 19.735 -3.072 -4.718 221 3HG1 VAL 30 HG12 VAL 30 18.537 -4.348 -4.904 222 1HG2 VAL 30 HG22 VAL 30 17.422 -0.301 -4.196 223 2HG2 VAL 30 HG23 VAL 30 18.887 -0.907 -3.432 224 3HG2 VAL 30 HG21 VAL 30 18.807 -0.753 -5.184 225 H HIS 31 HN HIS 31 16.790 -4.249 -6.954 226 HA HIS 31 HA HIS 31 14.821 -6.106 -5.709 227 1HB HIS 31 HB2 HIS 31 14.915 -5.389 -8.263 228 2HB HIS 31 HB1 HIS 31 16.205 -6.582 -8.359 229 HD2 HIS 31 HD2 HIS 31 12.370 -6.404 -8.216 230 HE1 HIS 31 HE1 HIS 31 13.402 -10.384 -7.781 231 H SER 32 HN SER 32 15.406 -8.470 -5.859 232 HA SER 32 HA SER 32 17.689 -9.025 -4.283 233 1HB SER 32 HB2 SER 32 17.236 -11.413 -4.868 234 2HB SER 32 HB1 SER 32 15.692 -10.570 -4.629 235 HG SER 32 HG SER 32 15.777 -11.723 -6.633 236 H ASN 33 HN ASN 33 17.298 -9.071 -7.783 237 HA ASN 33 HA ASN 33 19.871 -10.238 -8.347 238 1HB ASN 33 HB2 ASN 33 19.402 -8.954 -10.633 239 2HB ASN 33 HB1 ASN 33 18.362 -10.299 -10.174 240 1HD2 ASN 33 HD22 ASN 33 15.494 -8.287 -9.839 241 2HD2 ASN 33 HD21 ASN 33 16.158 -9.849 -9.810 242 H GLY 34 HN GLY 34 18.907 -7.086 -7.390 243 1HA GLY 34 HA1 GLY 34 20.595 -5.518 -6.564 244 2HA GLY 34 HA2 GLY 34 21.718 -6.149 -7.761 245 H ASN 35 HN ASN 35 18.558 -5.664 -8.944 246 HA ASN 35 HA ASN 35 19.506 -3.202 -10.342 247 1HB ASN 35 HB2 ASN 35 17.413 -5.305 -11.037 248 2HB ASN 35 HB1 ASN 35 17.577 -3.805 -11.941 249 1HD2 ASN 35 HD22 ASN 35 20.349 -4.939 -13.767 250 2HD2 ASN 35 HD21 ASN 35 19.157 -3.751 -13.552 251 H THR 36 HN THR 36 18.398 -1.340 -10.250 252 HA THR 36 HA THR 36 16.023 -1.268 -8.436 253 HB THR 36 HB THR 36 17.949 1.001 -9.229 254 HG1 THR 36 HG1 THR 36 17.992 0.177 -6.679 255 1HG2 THR 36 HG22 THR 36 15.943 0.685 -6.925 256 2HG2 THR 36 HG23 THR 36 16.963 2.091 -7.205 257 3HG2 THR 36 HG21 THR 36 15.660 1.710 -8.327 258 OH TYR 37 OH TYR 37 15.367 -5.252 -12.961 259 H TYR 37 HN TYR 37 14.159 -0.190 -9.088 260 HA TYR 37 HA TYR 37 14.158 0.750 -11.930 261 1HB TYR 37 HB2 TYR 37 11.964 -0.790 -10.469 262 2HB TYR 37 HB1 TYR 37 11.894 -0.254 -12.147 263 HD1 TYR 37 HD2 TYR 37 13.551 -1.195 -13.802 264 HD2 TYR 37 HD1 TYR 37 13.187 -2.767 -9.866 265 HE1 TYR 37 HE2 TYR 37 14.780 -3.200 -14.489 266 HE2 TYR 37 HE1 TYR 37 14.419 -4.773 -10.555 267 HH TYR 37 HH TYR 37 14.732 -5.876 -13.320 268 H LEU 38 HN LEU 38 13.959 2.867 -11.830 269 HA LEU 38 HA LEU 38 11.569 4.010 -10.516 270 1HB LEU 38 HB2 LEU 38 13.486 4.168 -8.857 271 2HB LEU 38 HB1 LEU 38 14.391 5.099 -10.044 272 HG LEU 38 HG LEU 38 11.775 6.261 -9.809 273 1HD1 LEU 38 HD11 LEU 38 13.201 5.693 -7.195 274 2HD1 LEU 38 HD12 LEU 38 12.007 6.974 -7.376 275 3HD1 LEU 38 HD13 LEU 38 11.538 5.294 -7.616 276 1HD2 LEU 38 HD23 LEU 38 14.612 7.074 -9.174 277 2HD2 LEU 38 HD21 LEU 38 13.577 7.635 -10.482 278 3HD2 LEU 38 HD22 LEU 38 13.270 8.161 -8.831 279 H ASN 39 HN ASN 39 10.694 5.608 -11.735 280 HA ASN 39 HA ASN 39 12.415 6.787 -13.882 281 1HB ASN 39 HB2 ASN 39 10.403 6.655 -15.385 282 2HB ASN 39 HB1 ASN 39 10.934 5.062 -14.856 283 1HD2 ASN 39 HD22 ASN 39 7.180 6.054 -14.172 284 2HD2 ASN 39 HD21 ASN 39 8.179 6.732 -15.367 285 CH2 TRP 40 CH2 TRP 40 12.477 13.749 -9.312 286 H TRP 40 HN TRP 40 11.601 8.765 -14.800 287 HA TRP 40 HA TRP 40 10.123 10.407 -12.783 288 1HB TRP 40 HB2 TRP 40 12.439 10.995 -14.664 289 2HB TRP 40 HB1 TRP 40 11.446 12.309 -14.043 290 HD1 TRP 40 HD1 TRP 40 13.825 9.501 -12.791 291 HE1 TRP 40 HE1 TRP 40 14.589 10.255 -10.498 292 HE3 TRP 40 HE3 TRP 40 10.933 13.480 -12.293 293 HZ2 TRP 40 HZ2 TRP 40 13.969 12.410 -8.570 294 HZ3 TRP 40 HZ3 TRP 40 10.977 14.910 -10.293 295 HH2 TRP 40 HH2 TRP 40 12.508 14.386 -8.444 296 OH TYR 41 OH TYR 41 6.159 6.435 -18.079 297 H TYR 41 HN TYR 41 8.820 12.183 -13.710 298 HA TYR 41 HA TYR 41 8.092 11.850 -16.568 299 1HB TYR 41 HB2 TYR 41 6.375 11.171 -14.191 300 2HB TYR 41 HB1 TYR 41 5.582 11.978 -15.539 301 HD1 TYR 41 HD2 TYR 41 6.728 10.921 -17.922 302 HD2 TYR 41 HD1 TYR 41 5.991 8.869 -14.269 303 HE1 TYR 41 HE2 TYR 41 6.608 8.797 -19.137 304 HE2 TYR 41 HE1 TYR 41 5.861 6.748 -15.490 305 HH TYR 41 HH TYR 41 5.470 6.514 -18.743 306 H LEU 42 HN LEU 42 7.805 13.769 -17.476 307 HA LEU 42 HA LEU 42 7.050 16.072 -15.720 308 1HB LEU 42 HB2 LEU 42 9.316 16.425 -16.515 309 2HB LEU 42 HB1 LEU 42 8.905 15.895 -18.138 310 HG LEU 42 HG LEU 42 7.419 17.868 -18.401 311 1HD1 LEU 42 HD12 LEU 42 8.214 18.245 -15.530 312 2HD1 LEU 42 HD13 LEU 42 7.912 19.674 -16.511 313 3HD1 LEU 42 HD11 LEU 42 6.642 18.478 -16.288 314 1HD2 LEU 42 HD22 LEU 42 10.319 18.204 -17.685 315 2HD2 LEU 42 HD23 LEU 42 9.544 18.337 -19.258 316 3HD2 LEU 42 HD21 LEU 42 9.360 19.627 -18.076 317 H GLN 43 HN GLN 43 4.971 16.500 -16.089 318 HA GLN 43 HA GLN 43 4.041 16.487 -18.935 319 1HB GLN 43 HB2 GLN 43 2.372 15.958 -16.433 320 2HB GLN 43 HB1 GLN 43 1.827 15.812 -18.100 321 1HG GLN 43 HG1 GLN 43 3.404 13.982 -18.501 322 2HG GLN 43 HG2 GLN 43 4.083 14.175 -16.887 323 1HE2 GLN 43 HE22 GLN 43 1.135 12.795 -15.282 324 2HE2 GLN 43 HE21 GLN 43 2.271 14.038 -15.076 325 H LYS 44 HN LYS 44 2.561 18.042 -19.556 326 HA LYS 44 HA LYS 44 2.139 20.335 -17.698 327 1HB LYS 44 HB2 LYS 44 4.141 20.683 -19.260 328 2HB LYS 44 HB1 LYS 44 3.031 20.574 -20.617 329 1HG LYS 44 HG1 LYS 44 1.714 22.477 -19.564 330 2HG LYS 44 HG2 LYS 44 3.021 22.646 -18.400 331 1HD LYS 44 HD1 LYS 44 4.173 22.504 -21.029 332 2HD LYS 44 HD2 LYS 44 2.886 23.703 -21.058 333 1HE LYS 44 HE1 LYS 44 4.795 23.718 -18.745 334 2HE LYS 44 HE2 LYS 44 5.344 24.362 -20.286 335 1HZ LYS 44 HZ1 LYS 44 3.022 25.260 -18.681 336 2HZ LYS 44 HZ2 LYS 44 4.420 26.143 -19.074 337 H ALA 45 HN ALA 45 1.387 20.973 -20.942 338 HA ALA 45 HA ALA 45 -1.490 20.656 -20.330 339 1HB ALA 45 HB1 ALA 45 0.070 21.969 -22.607 340 2HB ALA 45 HB2 ALA 45 -1.687 21.854 -22.617 341 3HB ALA 45 HB3 ALA 45 -0.872 22.776 -21.359 342 H GLY 46 HN GLY 46 -0.409 20.396 -23.614 343 1HA GLY 46 HA1 GLY 46 -1.563 17.656 -23.729 344 2HA GLY 46 HA2 GLY 46 -1.260 18.698 -25.119 345 H GLN 47 HN GLN 47 0.798 17.675 -22.420 346 HA GLN 47 HA GLN 47 2.725 16.546 -24.416 347 1HB GLN 47 HB2 GLN 47 3.084 18.745 -22.778 348 2HB GLN 47 HB1 GLN 47 3.767 17.464 -21.791 349 1HG GLN 47 HG1 GLN 47 5.575 18.273 -23.139 350 2HG GLN 47 HG2 GLN 47 5.085 16.748 -23.872 351 1HE2 GLN 47 HE22 GLN 47 4.261 20.268 -25.821 352 2HE2 GLN 47 HE21 GLN 47 4.574 20.292 -24.154 353 H SER 48 HN SER 48 0.589 15.564 -22.281 354 HA SER 48 HA SER 48 1.523 14.076 -20.239 355 1HB SER 48 HB2 SER 48 -0.712 13.537 -20.622 356 2HB SER 48 HB1 SER 48 -0.502 13.459 -22.377 357 HG SER 48 HG SER 48 0.384 11.586 -20.429 358 HA PRO 49 HA PRO 49 3.316 10.478 -22.867 359 1HB PRO 49 HB2 PRO 49 3.840 11.334 -25.560 360 2HB PRO 49 HB1 PRO 49 2.647 10.142 -25.045 361 1HG PRO 49 HG1 PRO 49 2.204 12.882 -25.969 362 2HG PRO 49 HG2 PRO 49 1.013 11.614 -25.679 363 1HD PRO 49 HD1 PRO 49 1.486 13.914 -24.060 364 2HD PRO 49 HD2 PRO 49 0.435 12.540 -23.679 365 H LYS 50 HN LYS 50 4.946 11.398 -21.456 366 HA LYS 50 HA LYS 50 7.311 12.312 -22.986 367 1HB LYS 50 HB2 LYS 50 5.685 14.002 -21.218 368 2HB LYS 50 HB1 LYS 50 7.345 13.901 -20.645 369 1HG LYS 50 HG1 LYS 50 8.077 14.422 -23.031 370 2HG LYS 50 HG2 LYS 50 6.392 14.788 -23.382 371 1HD LYS 50 HD1 LYS 50 6.359 16.536 -21.693 372 2HD LYS 50 HD2 LYS 50 7.968 16.092 -21.139 373 1HE LYS 50 HE1 LYS 50 7.268 17.174 -23.889 374 2HE LYS 50 HE2 LYS 50 8.093 18.059 -22.612 375 1HZ LYS 50 HZ1 LYS 50 9.079 15.752 -24.172 376 2HZ LYS 50 HZ2 LYS 50 9.772 17.296 -24.010 377 H LEU 51 HN LEU 51 9.297 12.153 -21.777 378 HA LEU 51 HA LEU 51 9.339 10.910 -19.145 379 1HB LEU 51 HB2 LEU 51 8.758 8.911 -20.458 380 2HB LEU 51 HB1 LEU 51 9.998 9.279 -21.648 381 HG LEU 51 HG LEU 51 11.713 9.063 -19.762 382 1HD1 LEU 51 HD12 LEU 51 9.188 8.192 -18.350 383 2HD1 LEU 51 HD13 LEU 51 10.741 7.502 -17.889 384 3HD1 LEU 51 HD11 LEU 51 10.478 9.236 -17.763 385 1HD2 LEU 51 HD23 LEU 51 10.963 7.262 -21.499 386 2HD2 LEU 51 HD21 LEU 51 11.900 6.740 -20.105 387 3HD2 LEU 51 HD22 LEU 51 10.155 6.505 -20.129 388 H LEU 52 HN LEU 52 11.281 11.274 -18.198 389 HA LEU 52 HA LEU 52 13.440 12.358 -19.969 390 1HB LEU 52 HB2 LEU 52 12.798 12.841 -17.023 391 2HB LEU 52 HB1 LEU 52 14.242 13.461 -17.814 392 HG LEU 52 HG LEU 52 11.431 14.029 -18.810 393 1HD1 LEU 52 HD11 LEU 52 13.254 15.659 -17.006 394 2HD1 LEU 52 HD12 LEU 52 11.805 16.293 -17.777 395 3HD1 LEU 52 HD13 LEU 52 11.675 15.005 -16.584 396 1HD2 LEU 52 HD21 LEU 52 14.217 14.947 -19.516 397 2HD2 LEU 52 HD22 LEU 52 12.922 14.428 -20.589 398 3HD2 LEU 52 HD23 LEU 52 12.846 16.007 -19.815 399 H ILE 53 HN ILE 53 13.138 10.730 -16.817 400 HA ILE 53 HA ILE 53 15.541 9.103 -17.570 401 HB ILE 53 HB ILE 53 14.614 9.952 -14.787 402 1HG1 ILE 53 HG11 ILE 53 15.577 11.752 -16.412 403 2HG1 ILE 53 HG12 ILE 53 16.188 11.658 -14.766 404 1HG2 ILE 53 HG21 ILE 53 16.869 8.269 -15.874 405 2HG2 ILE 53 HG22 ILE 53 17.153 9.205 -14.411 406 3HG2 ILE 53 HG23 ILE 53 15.877 7.995 -14.445 407 1HD1 ILE 53 HD11 ILE 53 17.510 10.053 -16.933 408 2HD1 ILE 53 HD12 ILE 53 17.889 11.764 -16.761 409 3HD1 ILE 53 HD13 ILE 53 18.193 10.653 -15.428 410 OH TYR 54 OH TYR 54 18.369 3.834 -20.647 411 H TYR 54 HN TYR 54 15.388 6.895 -17.272 412 HA TYR 54 HA TYR 54 12.786 5.920 -16.146 413 1HB TYR 54 HB2 TYR 54 12.960 4.032 -17.790 414 2HB TYR 54 HB1 TYR 54 12.878 5.595 -18.593 415 HD1 TYR 54 HD1 TYR 54 15.088 2.778 -17.719 416 HD2 TYR 54 HD2 TYR 54 14.831 6.508 -19.751 417 HE1 TYR 54 HE1 TYR 54 17.185 2.285 -18.891 418 HE2 TYR 54 HE2 TYR 54 16.930 6.008 -20.920 419 HH TYR 54 HH TYR 54 19.099 4.088 -20.077 420 H LYS 55 HN LYS 55 15.975 6.005 -15.468 421 HA LYS 55 HA LYS 55 15.722 3.668 -13.696 422 1HB LYS 55 HB2 LYS 55 16.731 3.014 -16.060 423 2HB LYS 55 HB1 LYS 55 18.187 3.796 -15.458 424 1HG LYS 55 HG1 LYS 55 18.405 2.262 -13.657 425 2HG LYS 55 HG2 LYS 55 16.744 1.703 -13.820 426 1HD LYS 55 HD1 LYS 55 17.256 0.616 -15.935 427 2HD LYS 55 HD2 LYS 55 18.872 1.312 -15.950 428 1HE LYS 55 HE1 LYS 55 19.468 0.047 -13.933 429 2HE LYS 55 HE2 LYS 55 17.831 -0.597 -13.829 430 1HZ LYS 55 HZ1 LYS 55 18.128 -1.889 -15.704 431 2HZ LYS 55 HZ2 LYS 55 19.456 -0.987 -16.260 432 H VAL 56 HN VAL 56 15.759 6.182 -12.906 433 HA VAL 56 HA VAL 56 16.723 7.656 -11.429 434 HB VAL 56 HB VAL 56 17.918 6.691 -9.732 435 1HG1 VAL 56 HG11 VAL 56 16.390 4.833 -10.859 436 2HG1 VAL 56 HG12 VAL 56 17.942 4.058 -11.156 437 3HG1 VAL 56 HG13 VAL 56 17.449 4.436 -9.512 438 1HG2 VAL 56 HG23 VAL 56 20.074 6.932 -10.950 439 2HG2 VAL 56 HG21 VAL 56 20.014 5.466 -9.979 440 3HG2 VAL 56 HG22 VAL 56 19.794 5.373 -11.720 441 H SER 57 HN SER 57 19.484 6.192 -13.210 442 HA SER 57 HA SER 57 20.262 8.991 -13.911 443 1HB SER 57 HB2 SER 57 21.735 7.510 -12.182 444 2HB SER 57 HB1 SER 57 22.386 6.854 -13.697 445 HG SER 57 HG SER 57 22.011 9.632 -13.271 446 H ASN 58 HN ASN 58 18.665 7.821 -15.615 447 HA ASN 58 HA ASN 58 20.443 7.236 -17.909 448 1HB ASN 58 HB2 ASN 58 18.715 5.292 -16.551 449 2HB ASN 58 HB1 ASN 58 18.271 5.463 -18.243 450 1HD2 ASN 58 HD22 ASN 58 21.820 3.747 -17.243 451 2HD2 ASN 58 HD21 ASN 58 20.835 4.450 -16.055 452 NH1 ARG 59 NH1 ARG 59 21.989 11.538 -21.821 453 NH2 ARG 59 NH2 ARG 59 23.410 12.968 -20.766 454 H ARG 59 HN ARG 59 19.906 8.936 -19.117 455 HA ARG 59 HA ARG 59 17.239 10.049 -19.241 456 1HB ARG 59 HB2 ARG 59 19.796 10.390 -20.845 457 2HB ARG 59 HB1 ARG 59 18.321 11.214 -21.331 458 1HG ARG 59 HG1 ARG 59 18.186 12.362 -19.199 459 2HG ARG 59 HG2 ARG 59 19.517 11.409 -18.549 460 1HD ARG 59 HD1 ARG 59 19.934 13.012 -21.061 461 2HD ARG 59 HD2 ARG 59 20.003 13.817 -19.499 462 HE ARG 59 HE ARG 59 21.780 12.053 -18.906 463 1HH1 ARG 59 HH11 ARG 59 21.132 11.026 -21.814 464 2HH1 ARG 59 HH12 ARG 59 22.599 11.482 -22.610 465 1HH2 ARG 59 HH21 ARG 59 23.619 13.531 -19.968 466 2HH2 ARG 59 HH22 ARG 59 24.050 12.929 -21.532 467 H PHE 60 HN PHE 60 15.740 9.921 -20.909 468 HA PHE 60 HA PHE 60 15.822 7.396 -22.421 469 1HB PHE 60 HB2 PHE 60 13.752 8.360 -21.204 470 2HB PHE 60 HB1 PHE 60 13.663 9.548 -22.501 471 HD1 PHE 60 HD1 PHE 60 13.727 5.868 -21.866 472 HD2 PHE 60 HD2 PHE 60 12.669 8.976 -24.581 473 HE1 PHE 60 HE1 PHE 60 12.585 4.232 -23.298 474 HE2 PHE 60 HE2 PHE 60 11.528 7.338 -26.010 475 HZ PHE 60 HZ PHE 60 11.485 4.964 -25.371 476 H SER 61 HN SER 61 15.024 7.481 -24.741 477 HA SER 61 HA SER 61 16.890 8.918 -26.333 478 1HB SER 61 HB2 SER 61 14.301 7.435 -26.922 479 2HB SER 61 HB1 SER 61 15.165 8.277 -28.224 480 HG SER 61 HG SER 61 16.092 6.230 -26.505 481 H GLY 62 HN GLY 62 16.918 10.916 -27.114 482 1HA GLY 62 HA1 GLY 62 15.967 12.908 -28.075 483 2HA GLY 62 HA2 GLY 62 14.389 12.417 -27.471 484 H VAL 63 HN VAL 63 15.679 11.840 -24.797 485 HA VAL 63 HA VAL 63 15.074 14.345 -23.554 486 HB VAL 63 HB VAL 63 16.650 11.937 -22.533 487 1HG1 VAL 63 HG12 VAL 63 15.605 14.427 -21.191 488 2HG1 VAL 63 HG13 VAL 63 15.713 12.922 -20.286 489 3HG1 VAL 63 HG11 VAL 63 17.163 13.634 -20.986 490 1HG2 VAL 63 HG22 VAL 63 14.311 11.472 -23.274 491 2HG2 VAL 63 HG23 VAL 63 14.501 11.275 -21.536 492 3HG2 VAL 63 HG21 VAL 63 13.735 12.722 -22.176 493 HA PRO 64 HA PRO 64 18.948 16.324 -24.568 494 1HB PRO 64 HB2 PRO 64 18.141 18.558 -22.901 495 2HB PRO 64 HB1 PRO 64 18.163 18.480 -24.662 496 1HG PRO 64 HG1 PRO 64 15.859 18.458 -22.931 497 2HG PRO 64 HG2 PRO 64 15.882 18.355 -24.691 498 1HD PRO 64 HD1 PRO 64 15.311 16.248 -22.791 499 2HD PRO 64 HD2 PRO 64 15.287 16.157 -24.561 500 H ASP 65 HN ASP 65 20.840 16.858 -23.447 501 HA ASP 65 HA ASP 65 21.373 15.431 -21.058 502 1HB ASP 65 HB2 ASP 65 23.503 16.751 -21.043 503 2HB ASP 65 HB1 ASP 65 23.124 16.204 -22.674 504 NH1 ARG 66 NH2 ARG 66 20.010 22.897 -23.692 505 NH2 ARG 66 NH1 ARG 66 18.905 24.882 -23.721 506 H ARG 66 HN ARG 66 19.898 18.476 -21.520 507 HA ARG 66 HA ARG 66 20.553 19.912 -19.196 508 1HB ARG 66 HB2 ARG 66 18.021 19.653 -20.851 509 2HB ARG 66 HB1 ARG 66 18.034 20.681 -19.424 510 1HG ARG 66 HG1 ARG 66 20.085 21.832 -20.392 511 2HG ARG 66 HG2 ARG 66 19.807 20.925 -21.874 512 1HD ARG 66 HD1 ARG 66 17.704 21.991 -22.261 513 2HD ARG 66 HD2 ARG 66 17.618 22.594 -20.607 514 HE ARG 66 HE ARG 66 19.158 24.342 -21.198 515 1HH1 ARG 66 HH21 ARG 66 20.294 22.084 -23.186 516 2HH1 ARG 66 HH22 ARG 66 20.272 23.006 -24.650 517 1HH2 ARG 66 HH11 ARG 66 18.354 25.562 -23.237 518 2HH2 ARG 66 HH12 ARG 66 19.146 25.026 -24.679 519 H PHE 67 HN PHE 67 19.050 16.884 -19.366 520 HA PHE 67 HA PHE 67 17.954 17.225 -16.600 521 1HB PHE 67 HB2 PHE 67 17.166 15.328 -18.860 522 2HB PHE 67 HB1 PHE 67 16.522 15.210 -17.222 523 HD1 PHE 67 HD2 PHE 67 15.252 17.161 -16.262 524 HD2 PHE 67 HD1 PHE 67 16.344 17.012 -20.375 525 HE1 PHE 67 HE2 PHE 67 13.633 18.929 -16.757 526 HE2 PHE 67 HE1 PHE 67 14.716 18.787 -20.867 527 HZ PHE 67 HZ PHE 67 13.368 19.756 -19.055 528 H SER 68 HN SER 68 18.948 16.169 -15.036 529 HA SER 68 HA SER 68 20.331 13.609 -15.667 530 1HB SER 68 HB2 SER 68 21.822 15.881 -15.444 531 2HB SER 68 HB1 SER 68 21.706 15.450 -13.725 532 HG SER 68 HG SER 68 22.825 13.690 -14.088 533 H GLY 69 HN GLY 69 19.568 12.114 -14.354 534 1HA GLY 69 HA1 GLY 69 18.597 12.940 -11.646 535 2HA GLY 69 HA2 GLY 69 17.924 11.595 -12.561 536 H SER 70 HN SER 70 18.865 11.394 -9.930 537 HA SER 70 HA SER 70 20.781 9.200 -10.263 538 1HB SER 70 HB2 SER 70 22.510 10.161 -8.790 539 2HB SER 70 HB1 SER 70 22.174 11.378 -10.037 540 HG SER 70 HG SER 70 21.251 11.241 -7.369 541 H GLY 71 HN GLY 71 21.349 8.337 -7.943 542 1HA GLY 71 HA1 GLY 71 19.866 8.833 -5.652 543 2HA GLY 71 HA2 GLY 71 18.791 7.854 -6.641 544 H SER 72 HN SER 72 20.000 7.207 -4.087 545 HA SER 72 HA SER 72 21.960 5.086 -4.758 546 1HB SER 72 HB2 SER 72 20.888 6.195 -2.115 547 2HB SER 72 HB1 SER 72 22.030 4.839 -2.203 548 HG SER 72 HG SER 72 23.306 6.619 -2.179 549 H GLY 73 HN GLY 73 19.213 5.100 -2.492 550 1HA GLY 73 HA1 GLY 73 18.158 2.649 -3.809 551 2HA GLY 73 HA2 GLY 73 18.559 2.559 -2.097 552 H THR 74 HN THR 74 17.670 4.922 -1.111 553 HA THR 74 HA THR 74 14.747 4.847 -1.734 554 HB THR 74 HB THR 74 14.385 5.472 0.674 555 HG1 THR 74 HG1 THR 74 16.155 6.653 1.117 556 1HG2 THR 74 HG21 THR 74 16.480 3.251 0.358 557 2HG2 THR 74 HG22 THR 74 15.472 3.483 1.782 558 3HG2 THR 74 HG23 THR 74 14.740 3.012 0.253 559 H ASP 75 HN ASP 75 17.168 6.594 -2.559 560 HA ASP 75 HA ASP 75 15.685 9.163 -2.250 561 1HB ASP 75 HB2 ASP 75 17.773 8.933 -0.719 562 2HB ASP 75 HB1 ASP 75 18.727 8.989 -2.200 563 H PHE 76 HN PHE 76 15.329 10.135 -4.088 564 HA PHE 76 HA PHE 76 17.223 9.822 -6.346 565 1HB PHE 76 HB2 PHE 76 14.213 9.297 -6.553 566 2HB PHE 76 HB1 PHE 76 15.359 9.233 -7.890 567 HD1 PHE 76 HD2 PHE 76 17.104 7.443 -7.941 568 HD2 PHE 76 HD1 PHE 76 14.053 7.475 -4.971 569 HE1 PHE 76 HE2 PHE 76 17.613 5.104 -7.394 570 HE2 PHE 76 HE1 PHE 76 14.566 5.135 -4.425 571 HZ PHE 76 HZ PHE 76 16.340 3.946 -5.637 572 H THR 77 HN THR 77 17.501 11.730 -7.364 573 HA THR 77 HA THR 77 15.320 13.751 -7.129 574 HB THR 77 HB THR 77 18.302 14.200 -6.523 575 HG1 THR 77 HG1 THR 77 17.113 13.301 -4.846 576 1HG2 THR 77 HG22 THR 77 16.646 16.115 -7.637 577 2HG2 THR 77 HG23 THR 77 16.170 16.245 -5.948 578 3HG2 THR 77 HG21 THR 77 17.847 16.508 -6.413 579 H LEU 78 HN LEU 78 14.994 15.015 -8.844 580 HA LEU 78 HA LEU 78 16.598 14.442 -11.286 581 1HB LEU 78 HB2 LEU 78 14.036 14.236 -11.211 582 2HB LEU 78 HB1 LEU 78 13.969 15.978 -11.006 583 HG LEU 78 HG LEU 78 15.568 14.873 -13.296 584 1HD1 LEU 78 HD11 LEU 78 12.546 15.062 -13.149 585 2HD1 LEU 78 HD12 LEU 78 13.441 14.933 -14.660 586 3HD1 LEU 78 HD13 LEU 78 13.499 13.622 -13.487 587 1HD2 LEU 78 HD23 LEU 78 14.198 17.394 -12.501 588 2HD2 LEU 78 HD21 LEU 78 15.715 17.170 -13.364 589 3HD2 LEU 78 HD22 LEU 78 14.185 17.006 -14.217 590 H LYS 79 HN LYS 79 18.196 15.849 -11.673 591 HA LYS 79 HA LYS 79 17.831 18.674 -10.781 592 1HB LYS 79 HB2 LYS 79 20.403 17.240 -11.547 593 2HB LYS 79 HB1 LYS 79 20.269 18.805 -10.755 594 1HG LYS 79 HG1 LYS 79 18.989 17.562 -8.890 595 2HG LYS 79 HG2 LYS 79 19.588 16.081 -9.630 596 1HD LYS 79 HD1 LYS 79 21.517 16.371 -8.491 597 2HD LYS 79 HD2 LYS 79 21.824 17.789 -9.487 598 1HE LYS 79 HE1 LYS 79 20.166 18.950 -7.766 599 2HE LYS 79 HE2 LYS 79 20.669 17.625 -6.721 600 1HZ LYS 79 HZ1 LYS 79 22.935 18.271 -6.953 601 2HZ LYS 79 HZ2 LYS 79 22.550 19.438 -8.127 602 H ILE 80 HN ILE 80 18.041 20.342 -12.148 603 HA ILE 80 HA ILE 80 18.591 19.710 -15.024 604 HB ILE 80 HB ILE 80 16.693 21.810 -13.856 605 1HG1 ILE 80 HG11 ILE 80 16.045 19.262 -15.382 606 2HG1 ILE 80 HG12 ILE 80 15.883 19.446 -13.640 607 1HG2 ILE 80 HG23 ILE 80 17.879 22.269 -16.118 608 2HG2 ILE 80 HG21 ILE 80 16.984 20.894 -16.754 609 3HG2 ILE 80 HG22 ILE 80 16.121 22.311 -16.160 610 1HD1 ILE 80 HD11 ILE 80 14.353 21.431 -14.101 611 2HD1 ILE 80 HD12 ILE 80 14.377 20.958 -15.798 612 3HD1 ILE 80 HD13 ILE 80 13.707 19.868 -14.589 613 H SER 81 HN SER 81 20.005 20.932 -16.072 614 HA SER 81 HA SER 81 21.731 22.564 -14.487 615 1HB SER 81 HB2 SER 81 21.525 22.138 -17.499 616 2HB SER 81 HB1 SER 81 22.803 23.114 -16.750 617 HG SER 81 HG SER 81 23.658 21.374 -15.904 618 NH1 ARG 82 NH2 ARG 82 23.046 28.007 -21.128 619 NH2 ARG 82 NH1 ARG 82 24.577 26.353 -20.816 620 H ARG 82 HN ARG 82 19.838 23.539 -17.354 621 HA ARG 82 HA ARG 82 19.513 26.203 -16.037 622 1HB ARG 82 HB2 ARG 82 19.372 26.878 -18.657 623 2HB ARG 82 HB1 ARG 82 20.907 26.820 -17.801 624 1HG ARG 82 HG1 ARG 82 21.211 24.461 -18.561 625 2HG ARG 82 HG2 ARG 82 19.706 24.577 -19.464 626 1HD ARG 82 HD1 ARG 82 21.487 25.041 -21.027 627 2HD ARG 82 HD2 ARG 82 20.724 26.590 -20.664 628 HE ARG 82 HE ARG 82 22.851 26.202 -18.807 629 1HH1 ARG 82 HH21 ARG 82 22.148 28.392 -20.916 630 2HH1 ARG 82 HH22 ARG 82 23.654 28.477 -21.765 631 1HH2 ARG 82 HH11 ARG 82 24.829 25.495 -20.371 632 2HH2 ARG 82 HH12 ARG 82 25.215 26.796 -21.445 633 H VAL 83 HN VAL 83 17.491 26.176 -15.386 634 HA VAL 83 HA VAL 83 15.332 24.832 -16.724 635 HB VAL 83 HB VAL 83 15.397 27.055 -14.627 636 1HG1 VAL 83 HG11 VAL 83 13.118 25.541 -15.886 637 2HG1 VAL 83 HG12 VAL 83 13.005 26.031 -14.201 638 3HG1 VAL 83 HG13 VAL 83 13.212 27.245 -15.458 639 1HG2 VAL 83 HG22 VAL 83 16.373 24.720 -14.140 640 2HG2 VAL 83 HG23 VAL 83 15.134 25.295 -13.030 641 3HG2 VAL 83 HG21 VAL 83 14.724 24.121 -14.278 642 H GLU 84 HN GLU 84 14.596 25.417 -18.643 643 HA GLU 84 HA GLU 84 14.622 28.280 -19.425 644 1HB GLU 84 HB2 GLU 84 13.749 25.978 -21.201 645 2HB GLU 84 HB1 GLU 84 14.506 27.494 -21.673 646 1HG GLU 84 HG1 GLU 84 16.491 26.548 -20.133 647 2HG GLU 84 HG2 GLU 84 15.764 25.007 -20.574 648 H ALA 85 HN ALA 85 12.469 27.764 -21.408 649 HA ALA 85 HA ALA 85 10.217 28.366 -19.592 650 1HB ALA 85 HB3 ALA 85 10.558 28.411 -22.625 651 2HB ALA 85 HB1 ALA 85 9.037 28.807 -21.829 652 3HB ALA 85 HB2 ALA 85 10.463 29.800 -21.547 653 H GLU 86 HN GLU 86 11.260 25.831 -21.753 654 HA GLU 86 HA GLU 86 8.698 24.459 -21.782 655 1HB GLU 86 HB2 GLU 86 10.444 22.501 -22.479 656 2HB GLU 86 HB1 GLU 86 9.960 23.753 -23.612 657 1HG GLU 86 HG1 GLU 86 12.279 24.365 -21.819 658 2HG GLU 86 HG2 GLU 86 12.546 23.210 -23.119 659 H ASP 87 HN ASP 87 11.605 24.313 -19.835 660 HA ASP 87 HA ASP 87 11.081 21.856 -18.486 661 1HB ASP 87 HB2 ASP 87 12.403 24.355 -17.326 662 2HB ASP 87 HB1 ASP 87 12.669 22.695 -16.805 663 H LEU 88 HN LEU 88 9.485 24.857 -18.328 664 HA LEU 88 HA LEU 88 8.567 24.765 -15.601 665 1HB LEU 88 HB2 LEU 88 7.183 25.994 -18.029 666 2HB LEU 88 HB1 LEU 88 6.923 26.443 -16.349 667 HG LEU 88 HG LEU 88 9.577 26.705 -17.806 668 1HD1 LEU 88 HD12 LEU 88 7.461 28.761 -17.086 669 2HD1 LEU 88 HD13 LEU 88 9.058 29.145 -17.717 670 3HD1 LEU 88 HD11 LEU 88 7.912 28.260 -18.714 671 1HD2 LEU 88 HD22 LEU 88 8.598 27.406 -15.030 672 2HD2 LEU 88 HD23 LEU 88 10.049 26.518 -15.485 673 3HD2 LEU 88 HD21 LEU 88 9.960 28.257 -15.751 674 H GLY 89 HN GLY 89 6.632 24.062 -14.747 675 1HA GLY 89 HA1 GLY 89 4.304 23.140 -15.582 676 2HA GLY 89 HA2 GLY 89 5.315 21.887 -16.300 677 H ILE 90 HN ILE 90 4.309 20.293 -14.991 678 HA ILE 90 HA ILE 90 5.105 20.431 -12.107 679 HB ILE 90 HB ILE 90 2.867 18.710 -13.256 680 1HG1 ILE 90 HG11 ILE 90 2.572 21.473 -12.022 681 2HG1 ILE 90 HG12 ILE 90 2.451 21.145 -13.745 682 1HG2 ILE 90 HG22 ILE 90 3.857 18.260 -10.943 683 2HG2 ILE 90 HG23 ILE 90 3.343 19.875 -10.466 684 3HG2 ILE 90 HG21 ILE 90 2.145 18.661 -10.901 685 1HD1 ILE 90 HD12 ILE 90 0.653 19.389 -13.080 686 2HD1 ILE 90 HD13 ILE 90 0.617 20.220 -11.528 687 3HD1 ILE 90 HD11 ILE 90 0.201 21.088 -13.002 688 OH TYR 91 OH TYR 91 11.621 19.488 -16.286 689 H TYR 91 HN TYR 91 6.610 19.029 -11.530 690 HA TYR 91 HA TYR 91 7.295 16.815 -13.369 691 1HB TYR 91 HB2 TYR 91 8.630 18.246 -11.079 692 2HB TYR 91 HB1 TYR 91 9.169 16.611 -11.454 693 HD1 TYR 91 HD2 TYR 91 8.738 20.018 -12.847 694 HD2 TYR 91 HD1 TYR 91 10.427 16.163 -13.460 695 HE1 TYR 91 HE2 TYR 91 10.005 20.875 -14.761 696 HE2 TYR 91 HE1 TYR 91 11.699 17.021 -15.374 697 HH TYR 91 HH TYR 91 11.052 20.110 -16.747 698 H PHE 92 HN PHE 92 7.617 14.673 -12.656 699 HA PHE 92 HA PHE 92 6.390 13.890 -10.069 700 1HB PHE 92 HB2 PHE 92 5.491 12.894 -12.816 701 2HB PHE 92 HB1 PHE 92 5.000 12.154 -11.297 702 HD1 PHE 92 HD2 PHE 92 3.529 13.401 -9.724 703 HD2 PHE 92 HD1 PHE 92 4.566 15.026 -13.521 704 HE1 PHE 92 HE2 PHE 92 1.656 14.980 -9.561 705 HE2 PHE 92 HE1 PHE 92 2.695 16.604 -13.354 706 HZ PHE 92 HZ PHE 92 1.239 16.587 -11.373 707 H CYS 93 HN CYS 93 6.651 11.527 -9.691 708 HA CYS 93 HA CYS 93 8.695 10.134 -11.258 709 1HB CYS 93 HB2 CYS 93 10.385 10.072 -9.588 710 2HB CYS 93 HB1 CYS 93 9.900 11.744 -9.660 711 H SER 94 HN SER 94 8.738 7.931 -10.830 712 HA SER 94 HA SER 94 7.048 6.940 -8.597 713 1HB SER 94 HB2 SER 94 6.659 6.048 -11.503 714 2HB SER 94 HB1 SER 94 5.687 5.545 -10.106 715 HG SER 94 HG SER 94 5.806 8.163 -10.026 716 H GLN 95 HN GLN 95 7.094 4.498 -8.540 717 HA GLN 95 HA GLN 95 9.856 3.573 -9.218 718 1HB GLN 95 HB2 GLN 95 9.915 2.429 -7.141 719 2HB GLN 95 HB1 GLN 95 9.002 3.871 -6.718 720 1HG GLN 95 HG1 GLN 95 6.895 2.481 -7.333 721 2HG GLN 95 HG2 GLN 95 7.958 1.081 -7.244 722 1HE2 GLN 95 HE22 GLN 95 7.128 3.164 -3.806 723 2HE2 GLN 95 HE21 GLN 95 6.964 3.936 -5.307 724 H THR 96 HN THR 96 10.103 1.417 -9.896 725 HA THR 96 HA THR 96 7.560 0.105 -10.777 726 HB THR 96 HB THR 96 9.888 -0.616 -12.439 727 HG1 THR 96 HG1 THR 96 9.087 2.096 -12.518 728 1HG2 THR 96 HG23 THR 96 7.361 1.033 -13.008 729 2HG2 THR 96 HG21 THR 96 8.402 0.316 -14.234 730 3HG2 THR 96 HG22 THR 96 7.456 -0.718 -13.168 731 H THR 97 HN THR 97 9.522 -0.179 -8.463 732 HA THR 97 HA THR 97 10.488 -2.948 -8.850 733 HB THR 97 HB THR 97 10.663 -1.074 -6.413 734 HG1 THR 97 HG1 THR 97 12.778 -0.805 -7.319 735 1HG2 THR 97 HG23 THR 97 12.237 -3.570 -7.265 736 2HG2 THR 97 HG21 THR 97 12.653 -2.546 -5.894 737 3HG2 THR 97 HG22 THR 97 11.164 -3.486 -5.871 738 H HIS 98 HN HIS 98 7.858 -1.246 -7.396 739 HA HIS 98 HA HIS 98 6.916 -3.817 -6.194 740 1HB HIS 98 HB2 HIS 98 6.631 -0.942 -5.222 741 2HB HIS 98 HB1 HIS 98 5.620 -2.243 -4.597 742 HD2 HIS 98 HD2 HIS 98 9.298 -0.969 -4.412 743 HE1 HIS 98 HE1 HIS 98 8.978 -4.277 -1.952 744 H VAL 99 HN VAL 99 5.007 -4.538 -6.821 745 HA VAL 99 HA VAL 99 3.326 -2.742 -8.518 746 HB VAL 99 HB VAL 99 3.599 -5.788 -8.522 747 1HG1 VAL 99 HG12 VAL 99 1.333 -4.826 -9.207 748 2HG1 VAL 99 HG13 VAL 99 2.166 -4.039 -10.544 749 3HG1 VAL 99 HG11 VAL 99 2.139 -5.795 -10.434 750 1HG2 VAL 99 HG21 VAL 99 4.577 -3.677 -10.481 751 2HG2 VAL 99 HG22 VAL 99 5.592 -4.647 -9.418 752 3HG2 VAL 99 HG23 VAL 99 4.699 -5.416 -10.725 753 HA PRO 100 HA PRO 100 1.364 -2.631 -9.327 754 1HB PRO 100 HB2 PRO 100 -0.489 -0.691 -8.317 755 2HB PRO 100 HB1 PRO 100 -0.876 -2.093 -9.313 756 1HG PRO 100 HG1 PRO 100 -1.450 -1.680 -6.497 757 2HG PRO 100 HG2 PRO 100 -1.927 -3.038 -7.517 758 1HD PRO 100 HD1 PRO 100 0.129 -2.984 -5.480 759 2HD PRO 100 HD2 PRO 100 -0.374 -4.355 -6.485 760 HA PRO 101 HA PRO 101 4.051 0.741 -8.614 761 1HB PRO 101 HB2 PRO 101 2.814 2.500 -10.564 762 2HB PRO 101 HB1 PRO 101 4.266 1.520 -10.770 763 1HG PRO 101 HG1 PRO 101 1.657 1.073 -11.922 764 2HG PRO 101 HG2 PRO 101 3.110 0.094 -12.130 765 1HD PRO 101 HD1 PRO 101 0.751 -0.545 -10.587 766 2HD PRO 101 HD2 PRO 101 2.209 -1.531 -10.804 767 H THR 102 HN THR 102 4.137 2.633 -7.426 768 HA THR 102 HA THR 102 1.643 3.450 -6.128 769 HB THR 102 HB THR 102 3.334 5.082 -4.935 770 HG1 THR 102 HG1 THR 102 5.423 4.749 -5.516 771 1HG2 THR 102 HG21 THR 102 3.962 2.074 -5.016 772 2HG2 THR 102 HG22 THR 102 4.521 3.178 -3.763 773 3HG2 THR 102 HG23 THR 102 2.805 2.827 -3.923 774 H PHE 103 HN PHE 103 4.226 5.333 -7.680 775 HA PHE 103 HA PHE 103 4.160 7.288 -8.943 776 1HB PHE 103 HB2 PHE 103 2.872 6.285 -10.648 777 2HB PHE 103 HB1 PHE 103 1.516 5.959 -9.576 778 HD1 PHE 103 HD2 PHE 103 3.259 8.610 -11.489 779 HD2 PHE 103 HD1 PHE 103 -0.194 7.623 -9.199 780 HE1 PHE 103 HE2 PHE 103 2.187 10.703 -12.197 781 HE2 PHE 103 HE1 PHE 103 -1.262 9.717 -9.908 782 HZ PHE 103 HZ PHE 103 -0.074 11.259 -11.409 783 H GLY 104 HN GLY 104 3.336 9.458 -8.984 784 1HA GLY 104 HA1 GLY 104 1.292 10.754 -7.869 785 2HA GLY 104 HA2 GLY 104 2.055 10.158 -6.399 786 H GLY 105 HN GLY 105 2.350 12.387 -5.807 787 1HA GLY 105 HA1 GLY 105 4.115 13.967 -5.380 788 2HA GLY 105 HA2 GLY 105 4.889 13.474 -6.884 789 H GLY 106 HN GLY 106 5.086 15.734 -7.415 790 1HA GLY 106 HA1 GLY 106 3.633 16.849 -9.331 791 2HA GLY 106 HA2 GLY 106 2.532 17.144 -7.991 792 H THR 107 HN THR 107 6.003 17.539 -8.726 793 HA THR 107 HA THR 107 6.179 19.849 -6.951 794 HB THR 107 HB THR 107 8.168 18.861 -9.085 795 HG1 THR 107 HG1 THR 107 8.217 18.402 -6.298 796 1HG2 THR 107 HG23 THR 107 8.179 21.108 -7.239 797 2HG2 THR 107 HG21 THR 107 9.312 19.906 -6.631 798 3HG2 THR 107 HG22 THR 107 9.510 20.559 -8.252 799 H LYS 108 HN LYS 108 5.129 21.629 -7.545 800 HA LYS 108 HA LYS 108 4.703 22.338 -10.333 801 1HB LYS 108 HB2 LYS 108 4.006 23.483 -7.644 802 2HB LYS 108 HB1 LYS 108 3.972 24.582 -9.019 803 1HG LYS 108 HG1 LYS 108 2.638 22.539 -10.134 804 2HG LYS 108 HG2 LYS 108 2.255 22.196 -8.451 805 1HD LYS 108 HD1 LYS 108 1.694 24.762 -8.332 806 2HD LYS 108 HD2 LYS 108 1.581 24.638 -10.084 807 1HE LYS 108 HE1 LYS 108 -0.627 24.209 -9.310 808 2HE LYS 108 HE2 LYS 108 0.034 22.619 -9.674 809 1HZ LYS 108 HZ1 LYS 108 -0.979 22.446 -7.581 810 2HZ LYS 108 HZ2 LYS 108 0.690 22.526 -7.258 811 H LEU 109 HN LEU 109 6.370 22.990 -11.497 812 HA LEU 109 HA LEU 109 8.339 24.876 -10.299 813 1HB LEU 109 HB2 LEU 109 8.923 22.648 -11.617 814 2HB LEU 109 HB1 LEU 109 8.570 23.606 -13.049 815 HG LEU 109 HG LEU 109 10.383 24.813 -10.989 816 1HD1 LEU 109 HD13 LEU 109 11.186 22.461 -11.253 817 2HD1 LEU 109 HD11 LEU 109 11.277 22.709 -12.993 818 3HD1 LEU 109 HD12 LEU 109 12.324 23.626 -11.916 819 1HD2 LEU 109 HD23 LEU 109 10.337 24.757 -14.027 820 2HD2 LEU 109 HD21 LEU 109 9.726 26.062 -13.015 821 3HD2 LEU 109 HD22 LEU 109 11.448 25.706 -13.044 822 H GLU 110 HN GLU 110 6.920 26.647 -10.381 823 HA GLU 110 HA GLU 110 6.364 27.664 -13.138 824 1HB GLU 110 HB2 GLU 110 4.864 27.648 -10.611 825 2HB GLU 110 HB1 GLU 110 5.014 29.281 -11.246 826 1HG GLU 110 HG1 GLU 110 4.244 27.043 -13.109 827 2HG GLU 110 HG2 GLU 110 3.022 27.750 -12.056 828 H ILE 111 HN ILE 111 6.919 29.755 -13.669 829 HA ILE 111 HA ILE 111 9.339 30.760 -12.481 830 HB ILE 111 HB ILE 111 7.436 32.383 -14.220 831 1HG1 ILE 111 HG11 ILE 111 9.483 30.365 -15.198 832 2HG1 ILE 111 HG12 ILE 111 7.747 30.087 -15.196 833 1HG2 ILE 111 HG22 ILE 111 9.496 33.484 -13.298 834 2HG2 ILE 111 HG23 ILE 111 10.484 32.212 -14.011 835 3HG2 ILE 111 HG21 ILE 111 9.598 33.326 -15.047 836 1HD1 ILE 111 HD13 ILE 111 7.701 32.416 -16.478 837 2HD1 ILE 111 HD11 ILE 111 9.362 31.986 -16.871 838 3HD1 ILE 111 HD12 ILE 111 8.040 30.929 -17.354 839 H LYS 112 HN LYS 112 9.646 32.132 -10.870 840 HA LYS 112 HA LYS 112 7.476 33.027 -9.216 841 1HB LYS 112 HB2 LYS 112 9.912 32.616 -8.515 842 2HB LYS 112 HB1 LYS 112 10.327 34.127 -9.313 843 1HG LYS 112 HG1 LYS 112 8.055 34.202 -7.370 844 2HG LYS 112 HG2 LYS 112 9.668 34.009 -6.699 845 1HD LYS 112 HD1 LYS 112 9.930 36.247 -6.910 846 2HD LYS 112 HD2 LYS 112 9.955 36.014 -8.652 847 1HE LYS 112 HE1 LYS 112 8.107 37.333 -8.676 848 2HE LYS 112 HE2 LYS 112 7.253 35.913 -8.089 849 1HZ LYS 112 HZ1 LYS 112 8.166 38.267 -6.616 850 2HZ LYS 112 HZ2 LYS 112 6.697 37.420 -6.510 851 NH1 ARG 113 NH2 ARG 113 5.360 35.383 -17.483 852 NH2 ARG 113 NH1 ARG 113 4.350 37.403 -17.199 853 H ARG 113 HN ARG 113 6.107 34.598 -9.737 854 HA ARG 113 HA ARG 113 7.199 37.030 -11.089 855 1HB ARG 113 HB2 ARG 113 5.053 35.172 -11.932 856 2HB ARG 113 HB1 ARG 113 4.542 36.857 -11.925 857 1HG ARG 113 HG1 ARG 113 6.386 37.489 -13.373 858 2HG ARG 113 HG2 ARG 113 7.096 35.884 -13.247 859 1HD ARG 113 HD1 ARG 113 5.410 34.895 -14.566 860 2HD ARG 113 HD2 ARG 113 4.284 36.225 -14.290 861 HE ARG 113 HE ARG 113 6.613 37.202 -15.662 862 1HH1 ARG 113 HH21 ARG 113 5.996 34.691 -17.142 863 2HH1 ARG 113 HH22 ARG 113 4.872 35.234 -18.341 864 1HH2 ARG 113 HH11 ARG 113 4.227 38.225 -16.645 865 2HH2 ARG 113 HH12 ARG 113 3.843 37.295 -18.053 Start of MODEL 10 Raw file had 865 H/Q atoms Start of MODEL 10 1 1H ASP 1 HT3 ASP 1 2.361 -2.229 1.993 2 2H ASP 1 HT1 ASP 1 1.845 -0.620 1.820 3 3H ASP 1 HT2 ASP 1 0.900 -1.886 1.199 4 HA ASP 1 HA ASP 1 2.608 -2.436 -0.394 5 1HB ASP 1 HB2 ASP 1 2.567 0.442 -0.950 6 2HB ASP 1 HB1 ASP 1 1.745 -0.854 -1.815 7 H VAL 2 HN VAL 2 4.443 -1.296 -1.622 8 HA VAL 2 HA VAL 2 6.604 -1.196 0.284 9 HB VAL 2 HB VAL 2 6.672 -0.523 -2.694 10 1HG1 VAL 2 HG13 VAL 2 8.771 -1.402 -0.684 11 2HG1 VAL 2 HG11 VAL 2 9.039 -1.416 -2.424 12 3HG1 VAL 2 HG12 VAL 2 8.732 0.105 -1.594 13 1HG2 VAL 2 HG23 VAL 2 6.595 -3.140 -1.200 14 2HG2 VAL 2 HG21 VAL 2 5.768 -2.690 -2.688 15 3HG2 VAL 2 HG22 VAL 2 7.494 -3.032 -2.709 16 H VAL 3 HN VAL 3 7.571 0.533 1.182 17 HA VAL 3 HA VAL 3 6.503 3.212 0.513 18 HB VAL 3 HB VAL 3 8.608 2.615 2.629 19 1HG1 VAL 3 HG12 VAL 3 6.361 4.632 2.322 20 2HG1 VAL 3 HG13 VAL 3 7.311 4.456 3.794 21 3HG1 VAL 3 HG11 VAL 3 8.092 4.958 2.298 22 1HG2 VAL 3 HG22 VAL 3 5.666 1.944 2.658 23 2HG2 VAL 3 HG23 VAL 3 7.023 0.974 3.225 24 3HG2 VAL 3 HG21 VAL 3 6.491 2.372 4.153 25 H MET 4 HN MET 4 7.948 5.038 0.216 26 HA MET 4 HA MET 4 10.667 4.352 -0.773 27 1HB MET 4 HB2 MET 4 8.633 6.041 -2.312 28 2HB MET 4 HB1 MET 4 10.276 5.689 -2.832 29 1HG MET 4 HG1 MET 4 8.211 3.554 -2.284 30 2HG MET 4 HG2 MET 4 8.439 4.263 -3.859 31 1HE MET 4 HE3 MET 4 10.248 4.175 -5.258 32 2HE MET 4 HE1 MET 4 11.707 4.344 -4.279 33 3HE MET 4 HE2 MET 4 11.500 2.937 -5.320 34 H THR 5 HN THR 5 11.958 5.583 0.436 35 HA THR 5 HA THR 5 11.066 8.155 1.520 36 HB THR 5 HB THR 5 13.965 7.202 1.589 37 HG1 THR 5 HG1 THR 5 12.057 6.270 3.411 38 1HG2 THR 5 HG21 THR 5 12.007 8.360 3.652 39 2HG2 THR 5 HG22 THR 5 13.687 7.951 3.988 40 3HG2 THR 5 HG23 THR 5 13.306 9.265 2.879 41 H GLN 6 HN GLN 6 10.989 9.864 0.189 42 HA GLN 6 HA GLN 6 13.007 10.095 -1.983 43 1HB GLN 6 HB2 GLN 6 10.463 11.662 -1.348 44 2HB GLN 6 HB1 GLN 6 11.499 11.990 -2.734 45 1HG GLN 6 HG1 GLN 6 10.533 10.308 -3.896 46 2HG GLN 6 HG2 GLN 6 10.945 9.163 -2.624 47 1HE2 GLN 6 HE22 GLN 6 7.548 8.808 -1.833 48 2HE2 GLN 6 HE21 GLN 6 9.052 8.071 -2.104 49 H THR 7 HN THR 7 14.663 11.411 -1.873 50 HA THR 7 HA THR 7 14.596 13.949 -0.420 51 HB THR 7 HB THR 7 16.884 12.828 0.784 52 HG1 THR 7 HG1 THR 7 14.813 10.948 1.081 53 1HG2 THR 7 HG23 THR 7 14.637 14.019 1.769 54 2HG2 THR 7 HG21 THR 7 14.212 12.349 2.129 55 3HG2 THR 7 HG22 THR 7 15.673 13.052 2.815 56 HA PRO 8 HA PRO 8 16.186 15.197 0.425 57 1HB PRO 8 HB2 PRO 8 17.202 17.635 -0.603 58 2HB PRO 8 HB1 PRO 8 18.082 16.534 0.458 59 1HG PRO 8 HG1 PRO 8 18.533 17.070 -2.381 60 2HG PRO 8 HG2 PRO 8 19.533 16.135 -1.269 61 1HD PRO 8 HD1 PRO 8 17.737 15.141 -3.318 62 2HD PRO 8 HD2 PRO 8 18.786 14.205 -2.237 63 H LEU 9 HN LEU 9 15.029 17.432 0.561 64 HA LEU 9 HA LEU 9 12.805 17.335 -1.362 65 1HB LEU 9 HB2 LEU 9 13.241 19.384 0.858 66 2HB LEU 9 HB1 LEU 9 11.710 18.880 0.156 67 HG LEU 9 HG LEU 9 13.544 17.050 1.748 68 1HD1 LEU 9 HD11 LEU 9 11.053 18.601 2.524 69 2HD1 LEU 9 HD12 LEU 9 11.700 17.270 3.479 70 3HD1 LEU 9 HD13 LEU 9 12.654 18.731 3.245 71 1HD2 LEU 9 HD22 LEU 9 10.892 16.751 0.364 72 2HD2 LEU 9 HD23 LEU 9 12.243 15.623 0.432 73 3HD2 LEU 9 HD21 LEU 9 11.194 15.826 1.830 74 H SER 10 HN SER 10 15.489 19.430 -0.540 75 HA SER 10 HA SER 10 14.967 20.966 -3.047 76 1HB SER 10 HB2 SER 10 15.449 23.067 -1.906 77 2HB SER 10 HB1 SER 10 14.340 22.210 -0.820 78 HG SER 10 HG SER 10 16.545 21.220 -0.119 79 H LEU 11 HN LEU 11 16.876 21.929 -3.978 80 HA LEU 11 HA LEU 11 19.457 20.940 -2.886 81 1HB LEU 11 HB2 LEU 11 18.310 19.382 -4.692 82 2HB LEU 11 HB1 LEU 11 18.830 20.610 -5.836 83 HG LEU 11 HG LEU 11 21.153 20.336 -4.556 84 1HD1 LEU 11 HD12 LEU 11 20.091 18.697 -2.931 85 2HD1 LEU 11 HD13 LEU 11 19.926 17.574 -4.278 86 3HD1 LEU 11 HD11 LEU 11 21.525 18.088 -3.749 87 1HD2 LEU 11 HD23 LEU 11 20.048 18.377 -6.599 88 2HD2 LEU 11 HD21 LEU 11 20.832 19.913 -6.950 89 3HD2 LEU 11 HD22 LEU 11 21.760 18.592 -6.249 90 HA PRO 12 HA PRO 12 19.714 25.237 -4.542 91 1HB PRO 12 HB2 PRO 12 21.225 26.016 -2.257 92 2HB PRO 12 HB1 PRO 12 19.532 26.402 -2.558 93 1HG PRO 12 HG1 PRO 12 20.638 24.526 -0.613 94 2HG PRO 12 HG2 PRO 12 18.962 25.041 -0.805 95 1HD PRO 12 HD1 PRO 12 20.116 22.508 -1.552 96 2HD PRO 12 HD2 PRO 12 18.441 23.043 -1.788 97 H VAL 13 HN VAL 13 21.173 24.499 -6.082 98 HA VAL 13 HA VAL 13 24.012 24.219 -5.178 99 HB VAL 13 HB VAL 13 24.363 22.782 -7.106 100 1HG1 VAL 13 HG13 VAL 13 22.771 22.038 -5.059 101 2HG1 VAL 13 HG11 VAL 13 21.622 21.847 -6.378 102 3HG1 VAL 13 HG12 VAL 13 23.140 20.956 -6.397 103 1HG2 VAL 13 HG22 VAL 13 21.812 24.068 -8.010 104 2HG2 VAL 13 HG23 VAL 13 23.258 23.677 -8.937 105 3HG2 VAL 13 HG21 VAL 13 22.106 22.409 -8.529 106 H SER 14 HN SER 14 25.462 24.560 -7.253 107 HA SER 14 HA SER 14 24.810 27.293 -8.279 108 1HB SER 14 HB2 SER 14 26.850 27.126 -6.781 109 2HB SER 14 HB1 SER 14 27.553 25.962 -7.921 110 HG SER 14 HG SER 14 27.931 27.533 -9.277 111 H LEU 15 HN LEU 15 25.356 27.740 -10.476 112 HA LEU 15 HA LEU 15 24.859 25.537 -12.256 113 1HB LEU 15 HB2 LEU 15 25.857 28.371 -12.792 114 2HB LEU 15 HB1 LEU 15 25.357 27.245 -14.048 115 HG LEU 15 HG LEU 15 23.620 28.314 -11.796 116 1HD1 LEU 15 HD12 LEU 15 24.193 29.729 -13.903 117 2HD1 LEU 15 HD13 LEU 15 23.180 28.578 -14.772 118 3HD1 LEU 15 HD11 LEU 15 22.495 29.549 -13.471 119 1HD2 LEU 15 HD22 LEU 15 23.346 25.991 -13.629 120 2HD2 LEU 15 HD23 LEU 15 22.583 26.283 -12.069 121 3HD2 LEU 15 HD21 LEU 15 21.934 27.034 -13.522 122 H GLY 16 HN GLY 16 26.436 24.038 -11.862 123 1HA GLY 16 HA1 GLY 16 28.486 23.539 -13.490 124 2HA GLY 16 HA2 GLY 16 29.254 24.758 -12.479 125 H ASP 17 HN ASP 17 27.330 23.490 -10.318 126 HA ASP 17 HA ASP 17 29.408 21.767 -9.195 127 1HB ASP 17 HB2 ASP 17 27.435 23.381 -8.126 128 2HB ASP 17 HB1 ASP 17 26.701 21.791 -7.941 129 H GLN 18 HN GLN 18 28.076 19.801 -7.896 130 HA GLN 18 HA GLN 18 27.102 18.090 -10.158 131 1HB GLN 18 HB2 GLN 18 28.668 17.561 -7.619 132 2HB GLN 18 HB1 GLN 18 27.738 16.254 -8.342 133 1HG GLN 18 HG1 GLN 18 28.994 16.331 -10.370 134 2HG GLN 18 HG2 GLN 18 29.667 17.913 -9.985 135 1HE2 GLN 18 HE22 GLN 18 31.124 15.222 -7.322 136 2HE2 GLN 18 HE21 GLN 18 29.473 15.615 -7.368 137 H ALA 19 HN ALA 19 25.534 16.363 -9.475 138 HA ALA 19 HA ALA 19 23.739 17.339 -7.284 139 1HB ALA 19 HB3 ALA 19 23.054 17.721 -9.830 140 2HB ALA 19 HB1 ALA 19 22.628 16.015 -9.766 141 3HB ALA 19 HB2 ALA 19 21.844 17.160 -8.683 142 H SER 20 HN SER 20 22.240 15.696 -6.476 143 HA SER 20 HA SER 20 22.762 12.895 -7.078 144 1HB SER 20 HB2 SER 20 23.652 12.355 -4.770 145 2HB SER 20 HB1 SER 20 24.739 13.465 -5.627 146 HG SER 20 HG SER 20 22.766 14.065 -3.685 147 H ILE 21 HN ILE 21 20.442 13.294 -7.415 148 HA ILE 21 HA ILE 21 18.729 13.828 -5.127 149 HB ILE 21 HB ILE 21 17.928 12.383 -7.685 150 1HG1 ILE 21 HG11 ILE 21 18.236 15.383 -7.302 151 2HG1 ILE 21 HG12 ILE 21 19.315 14.377 -8.262 152 1HG2 ILE 21 HG23 ILE 21 16.342 12.829 -5.651 153 2HG2 ILE 21 HG21 ILE 21 16.437 14.527 -6.112 154 3HG2 ILE 21 HG22 ILE 21 15.765 13.345 -7.231 155 1HD1 ILE 21 HD13 ILE 21 17.179 13.622 -9.521 156 2HD1 ILE 21 HD11 ILE 21 16.407 15.012 -8.766 157 3HD1 ILE 21 HD12 ILE 21 17.777 15.247 -9.846 158 H SER 22 HN SER 22 17.878 12.403 -3.704 159 HA SER 22 HA SER 22 18.653 9.547 -4.057 160 1HB SER 22 HB2 SER 22 19.339 10.927 -1.963 161 2HB SER 22 HB1 SER 22 17.637 10.817 -1.477 162 HG SER 22 HG SER 22 17.944 8.789 -1.020 163 H CYS 23 HN CYS 23 17.247 7.917 -3.941 164 HA CYS 23 HA CYS 23 14.380 8.416 -3.348 165 1HB CYS 23 HB2 CYS 23 15.566 7.483 -5.982 166 2HB CYS 23 HB1 CYS 23 13.970 6.958 -5.518 167 NH1 ARG 24 NH1 ARG 24 19.862 5.000 3.212 168 NH2 ARG 24 NH2 ARG 24 19.561 7.242 3.457 169 H ARG 24 HN ARG 24 14.988 7.127 -1.510 170 HA ARG 24 HA ARG 24 15.936 4.393 -1.916 171 1HB ARG 24 HB2 ARG 24 15.059 6.061 0.450 172 2HB ARG 24 HB1 ARG 24 15.312 4.330 0.641 173 1HG ARG 24 HG1 ARG 24 17.601 4.479 0.100 174 2HG ARG 24 HG2 ARG 24 17.411 6.040 -0.689 175 1HD ARG 24 HD1 ARG 24 17.018 7.136 1.453 176 2HD ARG 24 HD2 ARG 24 17.009 5.580 2.288 177 HE ARG 24 HE ARG 24 19.470 6.267 0.789 178 1HH1 ARG 24 HH11 ARG 24 19.756 4.181 2.648 179 2HH1 ARG 24 HH12 ARG 24 20.285 4.934 4.114 180 1HH2 ARG 24 HH21 ARG 24 19.230 8.104 3.077 181 2HH2 ARG 24 HH22 ARG 24 19.977 7.222 4.365 182 H SER 25 HN SER 25 14.825 2.578 -0.863 183 HA SER 25 HA SER 25 11.853 2.705 -1.090 184 1HB SER 25 HB2 SER 25 13.597 0.454 -2.235 185 2HB SER 25 HB1 SER 25 11.841 0.630 -2.419 186 HG SER 25 HG SER 25 13.583 2.723 -3.137 187 H SER 26 HN SER 26 10.764 1.052 0.114 188 HA SER 26 HA SER 26 12.036 0.454 2.627 189 1HB SER 26 HB2 SER 26 9.485 0.695 2.091 190 2HB SER 26 HB1 SER 26 9.577 -0.993 1.551 191 HG SER 26 HG SER 26 10.063 0.111 4.092 192 H GLN 27 HN GLN 27 11.060 -1.635 -0.075 193 HA GLN 27 HA GLN 27 12.990 -3.678 0.949 194 1HB GLN 27 HB2 GLN 27 10.256 -3.963 0.628 195 2HB GLN 27 HB1 GLN 27 10.839 -4.534 -0.931 196 1HG GLN 27 HG1 GLN 27 12.204 -6.222 0.095 197 2HG GLN 27 HG2 GLN 27 11.992 -5.514 1.695 198 1HE2 GLN 27 HE22 GLN 27 9.203 -8.070 0.246 199 2HE2 GLN 27 HE21 GLN 27 10.592 -7.677 -0.647 200 H SER 28 HN SER 28 13.808 -5.134 -0.818 201 HA SER 28 HA SER 28 15.059 -3.548 -2.859 202 1HB SER 28 HB2 SER 28 14.749 -6.585 -2.576 203 2HB SER 28 HB1 SER 28 15.875 -5.790 -3.694 204 HG SER 28 HG SER 28 16.429 -6.338 -1.274 205 H LEU 29 HN LEU 29 14.248 -2.891 -4.742 206 HA LEU 29 HA LEU 29 11.659 -3.894 -5.656 207 1HB LEU 29 HB2 LEU 29 13.620 -1.918 -6.908 208 2HB LEU 29 HB1 LEU 29 11.994 -2.214 -7.500 209 HG LEU 29 HG LEU 29 12.690 -1.194 -4.726 210 1HD1 LEU 29 HD12 LEU 29 12.937 0.330 -6.845 211 2HD1 LEU 29 HD13 LEU 29 11.177 0.300 -6.869 212 3HD1 LEU 29 HD11 LEU 29 12.027 0.944 -5.469 213 1HD2 LEU 29 HD23 LEU 29 10.161 -2.119 -6.035 214 2HD2 LEU 29 HD21 LEU 29 10.654 -2.231 -4.348 215 3HD2 LEU 29 HD22 LEU 29 10.061 -0.704 -4.992 216 H VAL 30 HN VAL 30 13.855 -5.795 -5.638 217 HA VAL 30 HA VAL 30 14.335 -6.249 -8.534 218 HB VAL 30 HB VAL 30 15.379 -7.763 -6.091 219 1HG1 VAL 30 HG13 VAL 30 16.193 -7.779 -9.022 220 2HG1 VAL 30 HG11 VAL 30 17.070 -8.606 -7.739 221 3HG1 VAL 30 HG12 VAL 30 15.433 -9.106 -8.149 222 1HG2 VAL 30 HG21 VAL 30 16.690 -5.612 -7.796 223 2HG2 VAL 30 HG22 VAL 30 16.162 -5.415 -6.128 224 3HG2 VAL 30 HG23 VAL 30 17.485 -6.512 -6.508 225 H HIS 31 HN HIS 31 13.271 -7.752 -9.655 226 HA HIS 31 HA HIS 31 11.125 -9.249 -8.325 227 1HB HIS 31 HB2 HIS 31 11.144 -8.067 -10.692 228 2HB HIS 31 HB1 HIS 31 11.908 -9.557 -11.233 229 HD2 HIS 31 HD2 HIS 31 8.439 -8.221 -10.157 230 HE1 HIS 31 HE1 HIS 31 8.034 -12.275 -10.859 231 H SER 32 HN SER 32 10.771 -11.559 -8.928 232 HA SER 32 HA SER 32 12.890 -13.186 -7.982 233 1HB SER 32 HB2 SER 32 10.461 -13.922 -9.698 234 2HB SER 32 HB1 SER 32 11.453 -15.090 -8.801 235 HG SER 32 HG SER 32 10.411 -14.505 -7.076 236 H ASN 33 HN ASN 33 12.139 -12.137 -11.230 237 HA ASN 33 HA ASN 33 13.899 -14.116 -12.477 238 1HB ASN 33 HB2 ASN 33 13.574 -12.390 -14.478 239 2HB ASN 33 HB1 ASN 33 12.212 -13.380 -13.964 240 1HD2 ASN 33 HD22 ASN 33 10.291 -10.624 -12.953 241 2HD2 ASN 33 HD21 ASN 33 10.364 -12.292 -13.255 242 H GLY 34 HN GLY 34 14.398 -11.249 -10.802 243 1HA GLY 34 HA1 GLY 34 16.608 -10.446 -10.253 244 2HA GLY 34 HA2 GLY 34 17.218 -11.181 -11.727 245 H ASN 35 HN ASN 35 14.455 -9.643 -12.622 246 HA ASN 35 HA ASN 35 16.001 -7.418 -13.769 247 1HB ASN 35 HB2 ASN 35 13.085 -8.285 -14.012 248 2HB ASN 35 HB1 ASN 35 13.735 -6.877 -14.841 249 1HD2 ASN 35 HD22 ASN 35 14.851 -8.863 -17.495 250 2HD2 ASN 35 HD21 ASN 35 14.179 -7.399 -16.963 251 H THR 36 HN THR 36 15.712 -5.265 -13.349 252 HA THR 36 HA THR 36 14.324 -4.643 -10.785 253 HB THR 36 HB THR 36 16.238 -2.816 -12.343 254 HG1 THR 36 HG1 THR 36 16.602 -5.175 -10.957 255 1HG2 THR 36 HG21 THR 36 15.473 -3.185 -9.391 256 2HG2 THR 36 HG22 THR 36 16.790 -2.148 -9.930 257 3HG2 THR 36 HG23 THR 36 15.130 -1.764 -10.373 258 OH TYR 37 OH TYR 37 10.514 -7.420 -14.932 259 H TYR 37 HN TYR 37 13.021 -2.707 -10.641 260 HA TYR 37 HA TYR 37 12.071 -1.656 -13.264 261 1HB TYR 37 HB2 TYR 37 10.306 -2.711 -11.004 262 2HB TYR 37 HB1 TYR 37 9.704 -1.885 -12.437 263 HD1 TYR 37 HD2 TYR 37 11.049 -2.935 -14.677 264 HD2 TYR 37 HD1 TYR 37 9.960 -5.021 -11.134 265 HE1 TYR 37 HE2 TYR 37 11.053 -5.048 -15.920 266 HE2 TYR 37 HE1 TYR 37 9.959 -7.134 -12.381 267 HH TYR 37 HH TYR 37 11.017 -8.061 -14.424 268 H LEU 38 HN LEU 38 13.082 0.305 -12.826 269 HA LEU 38 HA LEU 38 11.511 2.106 -11.129 270 1HB LEU 38 HB2 LEU 38 13.217 1.141 -9.549 271 2HB LEU 38 HB1 LEU 38 14.498 1.702 -10.617 272 HG LEU 38 HG LEU 38 12.618 3.851 -10.013 273 1HD1 LEU 38 HD13 LEU 38 13.893 2.336 -7.730 274 2HD1 LEU 38 HD11 LEU 38 13.470 4.039 -7.589 275 3HD1 LEU 38 HD12 LEU 38 12.215 2.842 -7.894 276 1HD2 LEU 38 HD23 LEU 38 15.580 3.337 -9.848 277 2HD2 LEU 38 HD21 LEU 38 14.716 4.520 -10.825 278 3HD2 LEU 38 HD22 LEU 38 14.907 4.778 -9.093 279 H ASN 39 HN ASN 39 11.471 4.109 -11.963 280 HA ASN 39 HA ASN 39 13.576 4.813 -13.966 281 1HB ASN 39 HB2 ASN 39 11.662 5.970 -15.242 282 2HB ASN 39 HB1 ASN 39 11.605 4.211 -15.253 283 1HD2 ASN 39 HD22 ASN 39 8.401 6.091 -13.983 284 2HD2 ASN 39 HD21 ASN 39 9.561 6.700 -15.061 285 CH2 TRP 40 CH2 TRP 40 16.211 10.168 -8.170 286 H TRP 40 HN TRP 40 13.571 7.166 -14.482 287 HA TRP 40 HA TRP 40 13.033 8.756 -12.007 288 1HB TRP 40 HB2 TRP 40 15.312 8.708 -14.001 289 2HB TRP 40 HB1 TRP 40 14.968 10.203 -13.136 290 HD1 TRP 40 HD1 TRP 40 16.310 6.641 -12.584 291 HE1 TRP 40 HE1 TRP 40 17.265 6.621 -10.241 292 HE3 TRP 40 HE3 TRP 40 14.652 11.043 -11.025 293 HZ2 TRP 40 HZ2 TRP 40 17.275 8.341 -7.858 294 HZ3 TRP 40 HZ3 TRP 40 15.084 11.885 -8.756 295 HH2 TRP 40 HH2 TRP 40 16.409 10.542 -7.177 296 OH TYR 41 OH TYR 41 7.426 7.359 -15.758 297 H TYR 41 HN TYR 41 12.753 11.128 -12.450 298 HA TYR 41 HA TYR 41 11.664 11.717 -15.149 299 1HB TYR 41 HB2 TYR 41 10.128 11.807 -12.525 300 2HB TYR 41 HB1 TYR 41 9.620 12.761 -13.912 301 HD1 TYR 41 HD1 TYR 41 9.936 11.100 -16.211 302 HD2 TYR 41 HD2 TYR 41 8.787 9.920 -12.288 303 HE1 TYR 41 HE1 TYR 41 8.755 9.159 -17.137 304 HE2 TYR 41 HE2 TYR 41 7.602 7.987 -13.218 305 HH TYR 41 HH TYR 41 6.889 7.667 -16.492 306 H LEU 42 HN LEU 42 11.247 13.962 -15.509 307 HA LEU 42 HA LEU 42 12.308 15.917 -13.568 308 1HB LEU 42 HB2 LEU 42 14.362 15.342 -14.739 309 2HB LEU 42 HB1 LEU 42 13.544 15.313 -16.293 310 HG LEU 42 HG LEU 42 13.133 17.762 -16.114 311 1HD1 LEU 42 HD12 LEU 42 14.088 17.241 -13.388 312 2HD1 LEU 42 HD13 LEU 42 14.920 18.594 -14.146 313 3HD1 LEU 42 HD11 LEU 42 13.166 18.608 -14.005 314 1HD2 LEU 42 HD23 LEU 42 15.994 16.805 -15.795 315 2HD2 LEU 42 HD21 LEU 42 15.131 17.102 -17.300 316 3HD2 LEU 42 HD22 LEU 42 15.577 18.450 -16.260 317 H GLN 43 HN GLN 43 11.189 17.793 -13.734 318 HA GLN 43 HA GLN 43 9.740 18.315 -16.288 319 1HB GLN 43 HB2 GLN 43 8.636 17.826 -13.576 320 2HB GLN 43 HB1 GLN 43 7.996 19.272 -14.348 321 1HG GLN 43 HG1 GLN 43 8.163 16.674 -15.882 322 2HG GLN 43 HG2 GLN 43 6.806 16.985 -14.805 323 1HE2 GLN 43 HE22 GLN 43 5.265 18.573 -17.558 324 2HE2 GLN 43 HE21 GLN 43 5.218 17.283 -16.455 325 H LYS 44 HN LYS 44 9.157 20.491 -16.648 326 HA LYS 44 HA LYS 44 10.894 22.403 -15.148 327 1HB LYS 44 HB2 LYS 44 11.173 21.927 -17.710 328 2HB LYS 44 HB1 LYS 44 9.695 22.857 -17.909 329 1HG LYS 44 HG1 LYS 44 11.224 24.587 -18.063 330 2HG LYS 44 HG2 LYS 44 11.019 24.568 -16.315 331 1HD LYS 44 HD1 LYS 44 12.962 22.600 -16.817 332 2HD LYS 44 HD2 LYS 44 13.384 23.922 -17.899 333 1HE LYS 44 HE1 LYS 44 12.968 24.093 -14.896 334 2HE LYS 44 HE2 LYS 44 14.486 24.297 -15.763 335 1HZ LYS 44 HZ1 LYS 44 13.795 26.310 -16.661 336 2HZ LYS 44 HZ2 LYS 44 12.158 26.030 -16.312 337 H ALA 45 HN ALA 45 9.118 24.332 -16.979 338 HA ALA 45 HA ALA 45 7.370 25.080 -14.754 339 1HB ALA 45 HB3 ALA 45 8.520 26.785 -16.186 340 2HB ALA 45 HB1 ALA 45 7.611 26.217 -17.582 341 3HB ALA 45 HB2 ALA 45 6.772 26.991 -16.241 342 H GLY 46 HN GLY 46 6.819 24.189 -18.167 343 1HA GLY 46 HA1 GLY 46 4.430 22.669 -17.451 344 2HA GLY 46 HA2 GLY 46 4.052 24.180 -18.274 345 H GLN 47 HN GLN 47 6.771 21.990 -18.763 346 HA GLN 47 HA GLN 47 6.024 21.810 -21.642 347 1HB GLN 47 HB2 GLN 47 8.403 22.476 -20.514 348 2HB GLN 47 HB1 GLN 47 8.614 20.730 -20.556 349 1HG GLN 47 HG1 GLN 47 7.644 21.171 -23.075 350 2HG GLN 47 HG2 GLN 47 8.512 22.677 -22.794 351 1HE2 GLN 47 HE22 GLN 47 10.699 19.191 -22.641 352 2HE2 GLN 47 HE21 GLN 47 9.085 19.171 -22.115 353 H SER 48 HN SER 48 6.858 19.636 -22.622 354 HA SER 48 HA SER 48 5.217 17.543 -21.599 355 1HB SER 48 HB2 SER 48 7.680 17.092 -23.350 356 2HB SER 48 HB1 SER 48 6.120 16.250 -23.424 357 HG SER 48 HG SER 48 5.736 17.751 -24.886 358 HA PRO 49 HA PRO 49 7.541 15.676 -18.416 359 1HB PRO 49 HB2 PRO 49 7.133 12.958 -19.371 360 2HB PRO 49 HB1 PRO 49 6.290 13.777 -18.056 361 1HG PRO 49 HG1 PRO 49 5.271 13.144 -20.685 362 2HG PRO 49 HG2 PRO 49 4.423 13.948 -19.364 363 1HD PRO 49 HD1 PRO 49 5.387 15.131 -21.806 364 2HD PRO 49 HD2 PRO 49 4.581 15.949 -20.455 365 H LYS 50 HN LYS 50 9.626 14.950 -18.053 366 HA LYS 50 HA LYS 50 11.154 14.102 -20.485 367 1HB LYS 50 HB2 LYS 50 11.524 16.369 -18.821 368 2HB LYS 50 HB1 LYS 50 12.804 15.254 -18.357 369 1HG LYS 50 HG1 LYS 50 13.556 15.066 -20.663 370 2HG LYS 50 HG2 LYS 50 12.181 16.005 -21.232 371 1HD LYS 50 HD1 LYS 50 13.003 17.941 -19.850 372 2HD LYS 50 HD2 LYS 50 14.434 16.998 -19.452 373 1HE LYS 50 HE1 LYS 50 15.257 18.084 -21.313 374 2HE LYS 50 HE2 LYS 50 14.504 16.718 -22.127 375 1HZ LYS 50 HZ1 LYS 50 13.517 19.482 -21.863 376 2HZ LYS 50 HZ2 LYS 50 13.698 18.540 -23.265 377 H LEU 51 HN LEU 51 12.359 12.318 -20.366 378 HA LEU 51 HA LEU 51 12.584 10.954 -17.707 379 1HB LEU 51 HB2 LEU 51 11.092 9.709 -19.186 380 2HB LEU 51 HB1 LEU 51 12.203 9.870 -20.536 381 HG LEU 51 HG LEU 51 13.841 8.617 -18.761 382 1HD1 LEU 51 HD11 LEU 51 11.860 8.527 -17.132 383 2HD1 LEU 51 HD12 LEU 51 11.112 7.393 -18.252 384 3HD1 LEU 51 HD13 LEU 51 12.637 6.986 -17.474 385 1HD2 LEU 51 HD21 LEU 51 13.142 7.990 -21.140 386 2HD2 LEU 51 HD22 LEU 51 13.459 6.637 -20.060 387 3HD2 LEU 51 HD23 LEU 51 11.801 7.107 -20.416 388 H LEU 52 HN LEU 52 14.598 10.623 -17.008 389 HA LEU 52 HA LEU 52 16.846 10.991 -18.933 390 1HB LEU 52 HB2 LEU 52 16.644 11.061 -15.887 391 2HB LEU 52 HB1 LEU 52 18.195 11.057 -16.711 392 HG LEU 52 HG LEU 52 17.797 13.351 -16.395 393 1HD1 LEU 52 HD11 LEU 52 18.115 12.645 -18.862 394 2HD1 LEU 52 HD12 LEU 52 16.398 12.991 -19.051 395 3HD1 LEU 52 HD13 LEU 52 17.506 14.269 -18.563 396 1HD2 LEU 52 HD22 LEU 52 15.476 13.070 -15.549 397 2HD2 LEU 52 HD23 LEU 52 15.600 14.415 -16.679 398 3HD2 LEU 52 HD21 LEU 52 14.907 12.885 -17.205 399 H ILE 53 HN ILE 53 15.807 8.866 -16.308 400 HA ILE 53 HA ILE 53 17.306 6.623 -17.603 401 HB ILE 53 HB ILE 53 16.970 7.065 -14.605 402 1HG1 ILE 53 HG11 ILE 53 18.395 8.832 -15.669 403 2HG1 ILE 53 HG12 ILE 53 19.231 7.844 -14.480 404 1HG2 ILE 53 HG22 ILE 53 18.459 5.081 -16.340 405 2HG2 ILE 53 HG23 ILE 53 19.008 5.402 -14.700 406 3HG2 ILE 53 HG21 ILE 53 17.396 4.755 -14.979 407 1HD1 ILE 53 HD12 ILE 53 19.366 6.630 -17.107 408 2HD1 ILE 53 HD13 ILE 53 20.007 8.267 -17.142 409 3HD1 ILE 53 HD11 ILE 53 20.679 7.080 -16.028 410 OH TYR 54 OH TYR 54 17.458 1.497 -21.821 411 H TYR 54 HN TYR 54 16.136 4.748 -17.777 412 HA TYR 54 HA TYR 54 13.443 4.762 -16.457 413 1HB TYR 54 HB2 TYR 54 12.722 3.317 -18.396 414 2HB TYR 54 HB1 TYR 54 13.280 4.903 -18.916 415 HD1 TYR 54 HD1 TYR 54 14.215 1.330 -18.665 416 HD2 TYR 54 HD2 TYR 54 15.294 5.139 -20.224 417 HE1 TYR 54 HE1 TYR 54 15.875 0.263 -20.122 418 HE2 TYR 54 HE2 TYR 54 16.952 4.068 -21.681 419 HH TYR 54 HH TYR 54 18.000 0.914 -21.284 420 H LYS 55 HN LYS 55 16.402 3.228 -16.577 421 HA LYS 55 HA LYS 55 15.352 0.984 -14.952 422 1HB LYS 55 HB2 LYS 55 16.642 0.800 -17.652 423 2HB LYS 55 HB1 LYS 55 17.250 -0.333 -16.452 424 1HG LYS 55 HG1 LYS 55 14.292 -0.071 -16.568 425 2HG LYS 55 HG2 LYS 55 15.040 -0.795 -17.987 426 1HD LYS 55 HD1 LYS 55 16.195 -2.442 -16.562 427 2HD LYS 55 HD2 LYS 55 15.505 -1.701 -15.123 428 1HE LYS 55 HE1 LYS 55 14.225 -3.714 -15.846 429 2HE LYS 55 HE2 LYS 55 13.242 -2.255 -15.882 430 1HZ LYS 55 HZ1 LYS 55 13.181 -3.827 -17.883 431 2HZ LYS 55 HZ2 LYS 55 13.315 -2.157 -18.174 432 H VAL 56 HN VAL 56 16.345 1.671 -13.152 433 HA VAL 56 HA VAL 56 17.999 2.417 -11.700 434 HB VAL 56 HB VAL 56 18.359 0.010 -11.658 435 1HG1 VAL 56 HG13 VAL 56 18.776 -0.175 -14.194 436 2HG1 VAL 56 HG11 VAL 56 20.445 0.253 -13.833 437 3HG1 VAL 56 HG12 VAL 56 19.740 -1.205 -13.153 438 1HG2 VAL 56 HG23 VAL 56 19.975 1.487 -10.461 439 2HG2 VAL 56 HG21 VAL 56 20.688 -0.050 -10.940 440 3HG2 VAL 56 HG22 VAL 56 21.043 1.410 -11.859 441 H SER 57 HN SER 57 20.086 1.643 -14.527 442 HA SER 57 HA SER 57 21.162 4.425 -14.247 443 1HB SER 57 HB2 SER 57 23.380 3.528 -14.822 444 2HB SER 57 HB1 SER 57 22.723 2.470 -13.558 445 HG SER 57 HG SER 57 23.503 1.436 -15.586 446 H ASN 58 HN ASN 58 20.039 1.937 -16.356 447 HA ASN 58 HA ASN 58 20.969 2.644 -18.873 448 1HB ASN 58 HB2 ASN 58 18.555 1.366 -17.746 449 2HB ASN 58 HB1 ASN 58 18.260 2.112 -19.310 450 1HD2 ASN 58 HD22 ASN 58 21.342 -0.591 -19.362 451 2HD2 ASN 58 HD21 ASN 58 21.319 0.630 -18.184 452 NH1 ARG 59 NH2 ARG 59 24.713 7.011 -21.169 453 NH2 ARG 59 NH1 ARG 59 25.083 9.182 -21.727 454 H ARG 59 HN ARG 59 21.184 4.680 -19.582 455 HA ARG 59 HA ARG 59 19.203 6.749 -19.012 456 1HB ARG 59 HB2 ARG 59 21.355 6.960 -21.140 457 2HB ARG 59 HB1 ARG 59 20.726 8.227 -20.095 458 1HG ARG 59 HG1 ARG 59 21.715 6.756 -18.153 459 2HG ARG 59 HG2 ARG 59 22.684 6.035 -19.432 460 1HD ARG 59 HD1 ARG 59 22.643 8.914 -18.507 461 2HD ARG 59 HD2 ARG 59 24.027 7.835 -18.659 462 HE ARG 59 HE ARG 59 22.647 9.201 -20.920 463 1HH1 ARG 59 HH21 ARG 59 24.143 6.333 -20.710 464 2HH1 ARG 59 HH22 ARG 59 25.540 6.727 -21.652 465 1HH2 ARG 59 HH11 ARG 59 24.790 10.136 -21.689 466 2HH2 ARG 59 HH12 ARG 59 25.917 8.935 -22.221 467 H PHE 60 HN PHE 60 18.106 7.973 -20.688 468 HA PHE 60 HA PHE 60 16.882 6.160 -22.643 469 1HB PHE 60 HB2 PHE 60 15.450 7.758 -21.443 470 2HB PHE 60 HB1 PHE 60 16.438 9.110 -21.982 471 HD1 PHE 60 HD1 PHE 60 14.196 6.395 -23.205 472 HD2 PHE 60 HD2 PHE 60 16.055 10.120 -24.107 473 HE1 PHE 60 HE1 PHE 60 12.837 6.583 -25.241 474 HE2 PHE 60 HE2 PHE 60 14.692 10.306 -26.141 475 HZ PHE 60 HZ PHE 60 13.082 8.539 -26.710 476 H SER 61 HN SER 61 16.681 6.681 -24.902 477 HA SER 61 HA SER 61 19.199 7.281 -26.134 478 1HB SER 61 HB2 SER 61 17.692 7.329 -28.269 479 2HB SER 61 HB1 SER 61 17.598 5.841 -27.306 480 HG SER 61 HG SER 61 15.930 8.115 -26.949 481 H GLY 62 HN GLY 62 19.767 9.331 -25.295 482 1HA GLY 62 HA1 GLY 62 19.784 11.547 -26.756 483 2HA GLY 62 HA2 GLY 62 18.124 11.650 -26.175 484 H VAL 63 HN VAL 63 19.576 10.170 -23.733 485 HA VAL 63 HA VAL 63 19.884 12.668 -22.207 486 HB VAL 63 HB VAL 63 20.023 9.720 -21.417 487 1HG1 VAL 63 HG11 VAL 63 20.187 12.270 -19.792 488 2HG1 VAL 63 HG12 VAL 63 19.675 10.745 -19.077 489 3HG1 VAL 63 HG13 VAL 63 21.287 10.895 -19.767 490 1HG2 VAL 63 HG22 VAL 63 17.801 10.629 -22.200 491 2HG2 VAL 63 HG23 VAL 63 17.790 10.078 -20.530 492 3HG2 VAL 63 HG21 VAL 63 17.875 11.798 -20.888 493 HA PRO 64 HA PRO 64 24.264 12.609 -23.020 494 1HB PRO 64 HB2 PRO 64 24.629 14.695 -21.052 495 2HB PRO 64 HB1 PRO 64 24.601 14.870 -22.806 496 1HG PRO 64 HG1 PRO 64 22.565 15.659 -20.897 497 2HG PRO 64 HG2 PRO 64 22.578 15.921 -22.641 498 1HD PRO 64 HD1 PRO 64 20.961 14.059 -21.164 499 2HD PRO 64 HD2 PRO 64 21.024 14.272 -22.923 500 H ASP 65 HN ASP 65 26.151 12.025 -21.880 501 HA ASP 65 HA ASP 65 25.808 10.186 -19.746 502 1HB ASP 65 HB2 ASP 65 28.323 11.730 -20.543 503 2HB ASP 65 HB1 ASP 65 28.290 10.222 -19.631 504 NH1 ARG 66 NH2 ARG 66 27.500 18.230 -21.859 505 NH2 ARG 66 NH1 ARG 66 27.019 20.217 -20.873 506 H ARG 66 HN ARG 66 25.663 13.523 -19.609 507 HA ARG 66 HA ARG 66 26.986 14.082 -17.144 508 1HB ARG 66 HB2 ARG 66 24.535 15.334 -18.476 509 2HB ARG 66 HB1 ARG 66 25.337 16.038 -17.076 510 1HG ARG 66 HG1 ARG 66 27.419 16.279 -18.322 511 2HG ARG 66 HG2 ARG 66 26.745 15.410 -19.695 512 1HD ARG 66 HD1 ARG 66 25.441 17.208 -20.367 513 2HD ARG 66 HD2 ARG 66 25.259 17.824 -18.725 514 HE ARG 66 HE ARG 66 27.727 18.520 -18.947 515 1HH1 ARG 66 HH21 ARG 66 27.632 17.244 -21.774 516 2HH1 ARG 66 HH22 ARG 66 27.596 18.674 -22.748 517 1HH2 ARG 66 HH11 ARG 66 26.790 20.726 -20.045 518 2HH2 ARG 66 HH12 ARG 66 27.095 20.695 -21.745 519 H PHE 67 HN PHE 67 23.918 12.637 -17.905 520 HA PHE 67 HA PHE 67 23.102 12.658 -15.043 521 1HB PHE 67 HB2 PHE 67 21.711 12.082 -17.681 522 2HB PHE 67 HB1 PHE 67 20.991 11.541 -16.168 523 HD1 PHE 67 HD1 PHE 67 22.047 14.511 -18.102 524 HD2 PHE 67 HD2 PHE 67 20.078 13.131 -14.585 525 HE1 PHE 67 HE1 PHE 67 21.170 16.774 -17.698 526 HE2 PHE 67 HE2 PHE 67 19.213 15.393 -14.183 527 HZ PHE 67 HZ PHE 67 19.761 17.216 -15.734 528 H SER 68 HN SER 68 23.246 10.891 -13.811 529 HA SER 68 HA SER 68 23.465 8.230 -15.115 530 1HB SER 68 HB2 SER 68 25.781 9.436 -14.469 531 2HB SER 68 HB1 SER 68 25.368 8.853 -12.845 532 HG SER 68 HG SER 68 25.506 6.836 -13.515 533 H GLY 69 HN GLY 69 22.454 6.660 -14.011 534 1HA GLY 69 HA1 GLY 69 21.452 7.353 -11.277 535 2HA GLY 69 HA2 GLY 69 20.515 6.415 -12.434 536 H SER 70 HN SER 70 21.855 5.934 -9.666 537 HA SER 70 HA SER 70 22.494 3.131 -10.231 538 1HB SER 70 HB2 SER 70 24.679 4.477 -10.604 539 2HB SER 70 HB1 SER 70 24.640 4.831 -8.866 540 HG SER 70 HG SER 70 25.572 2.674 -9.917 541 H GLY 71 HN GLY 71 23.445 2.186 -8.010 542 1HA GLY 71 HA1 GLY 71 23.188 2.798 -5.492 543 2HA GLY 71 HA2 GLY 71 21.513 3.119 -5.933 544 H SER 72 HN SER 72 21.532 1.338 -4.083 545 HA SER 72 HA SER 72 21.921 -1.377 -5.191 546 1HB SER 72 HB2 SER 72 22.536 -0.715 -2.770 547 2HB SER 72 HB1 SER 72 20.793 -0.634 -2.446 548 HG SER 72 HG SER 72 22.059 -2.769 -2.263 549 H GLY 73 HN GLY 73 20.031 -2.933 -4.320 550 1HA GLY 73 HA1 GLY 73 17.768 -2.375 -5.986 551 2HA GLY 73 HA2 GLY 73 17.832 -3.654 -4.774 552 H THR 74 HN THR 74 18.587 -1.337 -2.867 553 HA THR 74 HA THR 74 15.787 -0.396 -2.386 554 HB THR 74 HB THR 74 16.554 -0.336 0.082 555 HG1 THR 74 HG1 THR 74 18.713 -0.379 -0.099 556 1HG2 THR 74 HG23 THR 74 16.659 -2.964 -1.489 557 2HG2 THR 74 HG21 THR 74 16.748 -2.919 0.268 558 3HG2 THR 74 HG22 THR 74 15.299 -2.351 -0.554 559 H ASP 75 HN ASP 75 18.290 0.744 -3.745 560 HA ASP 75 HA ASP 75 17.929 3.443 -2.630 561 1HB ASP 75 HB2 ASP 75 20.274 1.755 -2.082 562 2HB ASP 75 HB1 ASP 75 20.738 3.255 -2.879 563 H PHE 76 HN PHE 76 17.746 4.784 -4.276 564 HA PHE 76 HA PHE 76 19.380 4.284 -6.726 565 1HB PHE 76 HB2 PHE 76 16.478 5.246 -6.759 566 2HB PHE 76 HB1 PHE 76 17.436 4.697 -8.134 567 HD1 PHE 76 HD2 PHE 76 18.364 2.235 -7.951 568 HD2 PHE 76 HD1 PHE 76 15.087 3.700 -5.659 569 HE1 PHE 76 HE2 PHE 76 17.626 -0.068 -7.534 570 HE2 PHE 76 HE1 PHE 76 14.343 1.393 -5.255 571 HZ PHE 76 HZ PHE 76 15.606 -0.490 -6.201 572 H THR 77 HN THR 77 20.413 6.074 -7.424 573 HA THR 77 HA THR 77 19.398 8.706 -6.446 574 HB THR 77 HB THR 77 22.353 7.906 -6.648 575 HG1 THR 77 HG1 THR 77 20.371 7.790 -4.639 576 1HG2 THR 77 HG23 THR 77 21.483 10.442 -6.547 577 2HG2 THR 77 HG21 THR 77 21.095 10.040 -4.878 578 3HG2 THR 77 HG22 THR 77 22.758 9.942 -5.443 579 H LEU 78 HN LEU 78 19.699 10.466 -7.736 580 HA LEU 78 HA LEU 78 20.448 9.879 -10.569 581 1HB LEU 78 HB2 LEU 78 18.107 10.805 -9.898 582 2HB LEU 78 HB1 LEU 78 18.934 12.301 -9.490 583 HG LEU 78 HG LEU 78 19.561 11.151 -12.170 584 1HD1 LEU 78 HD12 LEU 78 16.848 12.215 -11.351 585 2HD1 LEU 78 HD13 LEU 78 17.427 12.377 -13.005 586 3HD1 LEU 78 HD11 LEU 78 17.216 10.777 -12.300 587 1HD2 LEU 78 HD21 LEU 78 19.186 13.846 -10.871 588 2HD2 LEU 78 HD22 LEU 78 20.576 13.230 -11.759 589 3HD2 LEU 78 HD23 LEU 78 19.120 13.709 -12.624 590 H LYS 79 HN LYS 79 22.639 10.220 -10.507 591 HA LYS 79 HA LYS 79 23.661 12.714 -9.281 592 1HB LYS 79 HB2 LYS 79 24.674 10.154 -9.393 593 2HB LYS 79 HB1 LYS 79 25.535 10.908 -10.729 594 1HG LYS 79 HG1 LYS 79 26.590 12.474 -9.341 595 2HG LYS 79 HG2 LYS 79 25.350 12.357 -8.099 596 1HD LYS 79 HD1 LYS 79 26.724 9.806 -8.602 597 2HD LYS 79 HD2 LYS 79 27.801 11.071 -8.023 598 1HE LYS 79 HE1 LYS 79 26.681 11.288 -5.994 599 2HE LYS 79 HE2 LYS 79 25.153 10.720 -6.658 600 1HZ LYS 79 HZ1 LYS 79 27.359 9.211 -5.548 601 2HZ LYS 79 HZ2 LYS 79 25.702 8.832 -5.621 602 H ILE 80 HN ILE 80 24.552 14.353 -10.343 603 HA ILE 80 HA ILE 80 24.648 14.210 -13.324 604 HB ILE 80 HB ILE 80 23.824 16.589 -11.587 605 1HG1 ILE 80 HG11 ILE 80 22.141 14.870 -13.445 606 2HG1 ILE 80 HG12 ILE 80 22.105 14.786 -11.688 607 1HG2 ILE 80 HG23 ILE 80 25.009 17.043 -13.831 608 2HG2 ILE 80 HG21 ILE 80 23.650 16.247 -14.619 609 3HG2 ILE 80 HG22 ILE 80 23.394 17.729 -13.701 610 1HD1 ILE 80 HD13 ILE 80 21.628 17.348 -11.795 611 2HD1 ILE 80 HD11 ILE 80 21.214 17.048 -13.480 612 3HD1 ILE 80 HD12 ILE 80 20.314 16.246 -12.196 613 H SER 81 HN SER 81 26.445 14.872 -14.246 614 HA SER 81 HA SER 81 28.719 15.298 -12.609 615 1HB SER 81 HB2 SER 81 28.290 15.845 -15.587 616 2HB SER 81 HB1 SER 81 29.878 15.869 -14.793 617 HG SER 81 HG SER 81 28.021 13.718 -14.876 618 NH1 ARG 82 NH1 ARG 82 32.698 20.072 -16.089 619 NH2 ARG 82 NH2 ARG 82 32.641 19.398 -18.261 620 H ARG 82 HN ARG 82 27.240 17.616 -14.877 621 HA ARG 82 HA ARG 82 28.029 19.754 -12.957 622 1HB ARG 82 HB2 ARG 82 28.267 21.136 -15.239 623 2HB ARG 82 HB1 ARG 82 29.607 20.166 -14.648 624 1HG ARG 82 HG1 ARG 82 28.673 18.249 -16.073 625 2HG ARG 82 HG2 ARG 82 27.614 19.444 -16.813 626 1HD ARG 82 HD1 ARG 82 29.441 19.567 -18.257 627 2HD ARG 82 HD2 ARG 82 29.900 20.795 -17.079 628 HE ARG 82 HE ARG 82 30.852 18.055 -16.509 629 1HH1 ARG 82 HH11 ARG 82 32.249 20.115 -15.197 630 2HH1 ARG 82 HH12 ARG 82 33.600 20.481 -16.217 631 1HH2 ARG 82 HH21 ARG 82 32.152 18.934 -18.999 632 2HH2 ARG 82 HH22 ARG 82 33.540 19.797 -18.432 633 H VAL 83 HN VAL 83 26.174 20.426 -12.167 634 HA VAL 83 HA VAL 83 23.665 20.301 -13.556 635 HB VAL 83 HB VAL 83 24.553 21.902 -11.111 636 1HG1 VAL 83 HG13 VAL 83 21.912 21.616 -12.511 637 2HG1 VAL 83 HG11 VAL 83 21.916 21.678 -10.751 638 3HG1 VAL 83 HG12 VAL 83 22.587 23.014 -11.679 639 1HG2 VAL 83 HG22 VAL 83 24.323 19.177 -11.413 640 2HG2 VAL 83 HG23 VAL 83 24.113 20.024 -9.882 641 3HG2 VAL 83 HG21 VAL 83 22.707 19.603 -10.857 642 H GLU 84 HN GLU 84 23.440 21.405 -15.370 643 HA GLU 84 HA GLU 84 24.467 24.165 -15.592 644 1HB GLU 84 HB2 GLU 84 22.816 22.755 -17.708 645 2HB GLU 84 HB1 GLU 84 24.139 23.895 -17.929 646 1HG GLU 84 HG1 GLU 84 25.518 21.967 -16.678 647 2HG GLU 84 HG2 GLU 84 24.243 20.956 -17.351 648 H ALA 85 HN ALA 85 22.574 25.272 -17.286 649 HA ALA 85 HA ALA 85 20.548 26.054 -15.345 650 1HB ALA 85 HB2 ALA 85 21.002 26.785 -18.273 651 2HB ALA 85 HB3 ALA 85 19.777 27.539 -17.257 652 3HB ALA 85 HB1 ALA 85 21.483 27.731 -16.868 653 H GLU 86 HN GLU 86 20.665 23.883 -18.071 654 HA GLU 86 HA GLU 86 17.773 23.751 -18.384 655 1HB GLU 86 HB2 GLU 86 18.342 21.704 -19.792 656 2HB GLU 86 HB1 GLU 86 19.178 23.167 -20.293 657 1HG GLU 86 HG1 GLU 86 21.205 22.463 -19.108 658 2HG GLU 86 HG2 GLU 86 20.372 21.049 -18.467 659 H ASP 87 HN ASP 87 20.162 22.009 -16.517 660 HA ASP 87 HA ASP 87 18.543 19.748 -15.826 661 1HB ASP 87 HB2 ASP 87 20.646 21.081 -14.060 662 2HB ASP 87 HB1 ASP 87 20.183 19.383 -14.055 663 H LEU 88 HN LEU 88 18.520 23.022 -14.755 664 HA LEU 88 HA LEU 88 17.392 22.749 -12.170 665 1HB LEU 88 HB2 LEU 88 16.894 24.885 -14.294 666 2HB LEU 88 HB1 LEU 88 16.488 25.056 -12.590 667 HG LEU 88 HG LEU 88 19.297 24.407 -13.525 668 1HD1 LEU 88 HD11 LEU 88 18.415 26.611 -14.443 669 2HD1 LEU 88 HD12 LEU 88 18.207 27.136 -12.774 670 3HD1 LEU 88 HD13 LEU 88 19.814 26.758 -13.386 671 1HD2 LEU 88 HD21 LEU 88 18.109 25.506 -10.951 672 2HD2 LEU 88 HD22 LEU 88 18.810 23.907 -11.172 673 3HD2 LEU 88 HD23 LEU 88 19.834 25.337 -11.257 674 H GLY 89 HN GLY 89 15.236 22.996 -11.444 675 1HA GLY 89 HA1 GLY 89 12.811 23.183 -12.359 676 2HA GLY 89 HA2 GLY 89 13.260 21.784 -13.331 677 H ILE 90 HN ILE 90 11.718 20.454 -12.386 678 HA ILE 90 HA ILE 90 12.209 19.781 -9.512 679 HB ILE 90 HB ILE 90 9.667 18.910 -10.820 680 1HG1 ILE 90 HG11 ILE 90 10.047 21.825 -10.070 681 2HG1 ILE 90 HG12 ILE 90 10.072 21.245 -11.732 682 1HG2 ILE 90 HG23 ILE 90 10.214 18.616 -8.379 683 2HG2 ILE 90 HG21 ILE 90 10.327 20.365 -8.211 684 3HG2 ILE 90 HG22 ILE 90 8.782 19.617 -8.600 685 1HD1 ILE 90 HD11 ILE 90 7.793 20.145 -11.184 686 2HD1 ILE 90 HD12 ILE 90 7.775 21.194 -9.770 687 3HD1 ILE 90 HD13 ILE 90 7.817 21.894 -11.386 688 OH TYR 91 OH TYR 91 17.692 17.092 -14.150 689 H TYR 91 HN TYR 91 12.608 17.674 -8.987 690 HA TYR 91 HA TYR 91 12.686 15.750 -11.286 691 1HB TYR 91 HB2 TYR 91 14.532 16.280 -8.965 692 2HB TYR 91 HB1 TYR 91 14.430 14.631 -9.575 693 HD1 TYR 91 HD2 TYR 91 15.115 14.123 -11.903 694 HD2 TYR 91 HD1 TYR 91 15.482 18.057 -10.327 695 HE1 TYR 91 HE2 TYR 91 16.612 14.723 -13.752 696 HE2 TYR 91 HE1 TYR 91 16.965 18.660 -12.181 697 HH TYR 91 HH TYR 91 17.431 17.971 -14.443 698 H PHE 92 HN PHE 92 12.147 13.596 -10.923 699 HA PHE 92 HA PHE 92 10.979 12.842 -8.308 700 1HB PHE 92 HB2 PHE 92 9.361 12.545 -10.879 701 2HB PHE 92 HB1 PHE 92 8.801 12.295 -9.231 702 HD1 PHE 92 HD1 PHE 92 9.779 14.839 -11.722 703 HD2 PHE 92 HD2 PHE 92 8.175 14.180 -7.831 704 HE1 PHE 92 HE1 PHE 92 9.045 17.176 -11.626 705 HE2 PHE 92 HE2 PHE 92 7.445 16.524 -7.737 706 HZ PHE 92 HZ PHE 92 7.876 18.023 -9.636 707 H CYS 93 HN CYS 93 10.088 10.500 -8.525 708 HA CYS 93 HA CYS 93 11.462 8.878 -10.562 709 1HB CYS 93 HB2 CYS 93 12.613 7.488 -8.838 710 2HB CYS 93 HB1 CYS 93 13.221 9.119 -8.895 711 H SER 94 HN SER 94 10.814 6.584 -10.447 712 HA SER 94 HA SER 94 8.513 5.998 -8.679 713 1HB SER 94 HB2 SER 94 8.064 5.538 -11.636 714 2HB SER 94 HB1 SER 94 6.876 5.922 -10.374 715 HG SER 94 HG SER 94 7.933 7.999 -10.221 716 H GLN 95 HN GLN 95 7.699 3.761 -8.980 717 HA GLN 95 HA GLN 95 9.861 1.988 -10.037 718 1HB GLN 95 HB2 GLN 95 9.470 0.476 -8.134 719 2HB GLN 95 HB1 GLN 95 9.810 2.085 -7.513 720 1HG GLN 95 HG1 GLN 95 7.895 1.787 -6.304 721 2HG GLN 95 HG2 GLN 95 7.071 2.183 -7.807 722 1HE2 GLN 95 HE22 GLN 95 7.153 -1.700 -6.498 723 2HE2 GLN 95 HE21 GLN 95 8.203 -0.555 -5.821 724 H THR 96 HN THR 96 9.218 -0.023 -10.821 725 HA THR 96 HA THR 96 6.295 -0.289 -11.392 726 HB THR 96 HB THR 96 7.745 -1.521 -13.549 727 HG1 THR 96 HG1 THR 96 8.629 1.129 -13.072 728 1HG2 THR 96 HG23 THR 96 6.204 1.071 -13.149 729 2HG2 THR 96 HG21 THR 96 7.076 0.832 -14.661 730 3HG2 THR 96 HG22 THR 96 5.798 -0.287 -14.196 731 H THR 97 HN THR 97 7.452 -1.450 -9.241 732 HA THR 97 HA THR 97 7.889 -4.299 -10.024 733 HB THR 97 HB THR 97 8.325 -3.467 -7.169 734 HG1 THR 97 HG1 THR 97 10.301 -2.422 -7.915 735 1HG2 THR 97 HG22 THR 97 9.196 -5.573 -8.744 736 2HG2 THR 97 HG23 THR 97 10.530 -4.445 -8.962 737 3HG2 THR 97 HG21 THR 97 10.101 -4.999 -7.347 738 H HIS 98 HN HIS 98 6.128 -2.280 -7.679 739 HA HIS 98 HA HIS 98 4.332 -4.612 -7.167 740 1HB HIS 98 HB2 HIS 98 5.099 -2.143 -5.584 741 2HB HIS 98 HB1 HIS 98 3.584 -2.965 -5.224 742 HD2 HIS 98 HD2 HIS 98 7.440 -3.883 -5.367 743 HE1 HIS 98 HE1 HIS 98 5.520 -6.457 -2.761 744 H VAL 99 HN VAL 99 2.034 -4.156 -6.911 745 HA VAL 99 HA VAL 99 1.151 -1.861 -8.605 746 HB VAL 99 HB VAL 99 0.985 -4.104 -9.747 747 1HG1 VAL 99 HG12 VAL 99 0.479 -5.247 -7.452 748 2HG1 VAL 99 HG13 VAL 99 -1.191 -4.795 -7.773 749 3HG1 VAL 99 HG11 VAL 99 -0.337 -5.858 -8.886 750 1HG2 VAL 99 HG23 VAL 99 -1.655 -2.783 -9.023 751 2HG2 VAL 99 HG21 VAL 99 -0.605 -2.343 -10.366 752 3HG2 VAL 99 HG22 VAL 99 -1.430 -3.898 -10.367 753 HA PRO 100 HA PRO 100 -0.397 -0.634 -9.037 754 1HB PRO 100 HB2 PRO 100 -0.770 1.885 -7.703 755 2HB PRO 100 HB1 PRO 100 -1.952 1.036 -8.698 756 1HG PRO 100 HG1 PRO 100 -1.963 1.383 -5.819 757 2HG PRO 100 HG2 PRO 100 -3.185 0.603 -6.823 758 1HD PRO 100 HD1 PRO 100 -1.247 -0.655 -5.073 759 2HD PRO 100 HD2 PRO 100 -2.508 -1.437 -6.043 760 HA PRO 101 HA PRO 101 3.795 0.515 -8.503 761 1HB PRO 101 HB2 PRO 101 3.659 2.776 -10.318 762 2HB PRO 101 HB1 PRO 101 4.287 1.163 -10.656 763 1HG PRO 101 HG1 PRO 101 1.802 2.331 -11.578 764 2HG PRO 101 HG2 PRO 101 2.452 0.735 -11.953 765 1HD PRO 101 HD1 PRO 101 0.226 1.358 -10.237 766 2HD PRO 101 HD2 PRO 101 0.922 -0.240 -10.566 767 H THR 102 HN THR 102 4.796 1.733 -6.999 768 HA THR 102 HA THR 102 3.297 3.982 -5.833 769 HB THR 102 HB THR 102 5.528 3.899 -4.289 770 HG1 THR 102 HG1 THR 102 5.995 1.476 -4.480 771 1HG2 THR 102 HG22 THR 102 3.453 1.638 -4.447 772 2HG2 THR 102 HG23 THR 102 4.519 1.907 -3.069 773 3HG2 THR 102 HG21 THR 102 3.288 3.099 -3.476 774 H PHE 103 HN PHE 103 3.647 6.033 -6.222 775 HA PHE 103 HA PHE 103 6.081 6.794 -7.781 776 1HB PHE 103 HB2 PHE 103 3.230 7.545 -7.865 777 2HB PHE 103 HB1 PHE 103 4.275 8.959 -7.794 778 HD1 PHE 103 HD2 PHE 103 3.647 5.811 -9.684 779 HD2 PHE 103 HD1 PHE 103 5.566 9.615 -9.698 780 HE1 PHE 103 HE2 PHE 103 4.148 5.551 -12.074 781 HE2 PHE 103 HE1 PHE 103 6.063 9.352 -12.089 782 HZ PHE 103 HZ PHE 103 5.355 7.321 -13.279 783 H GLY 104 HN GLY 104 7.159 8.761 -7.238 784 1HA GLY 104 HA1 GLY 104 6.492 10.324 -4.917 785 2HA GLY 104 HA2 GLY 104 7.705 9.119 -4.497 786 H GLY 105 HN GLY 105 8.559 11.553 -4.145 787 1HA GLY 105 HA1 GLY 105 10.826 12.311 -4.896 788 2HA GLY 105 HA2 GLY 105 10.238 12.152 -6.548 789 H GLY 106 HN GLY 106 11.327 14.516 -5.774 790 1HA GLY 106 HA1 GLY 106 9.668 16.498 -6.616 791 2HA GLY 106 HA2 GLY 106 9.192 16.352 -4.926 792 H THR 107 HN THR 107 12.412 15.947 -6.298 793 HA THR 107 HA THR 107 13.528 17.764 -4.304 794 HB THR 107 HB THR 107 14.939 16.588 -6.772 795 HG1 THR 107 HG1 THR 107 14.552 15.476 -4.183 796 1HG2 THR 107 HG22 THR 107 16.073 18.251 -5.020 797 2HG2 THR 107 HG23 THR 107 15.971 16.883 -3.918 798 3HG2 THR 107 HG21 THR 107 16.912 16.750 -5.398 799 H LYS 108 HN LYS 108 13.438 19.898 -4.533 800 HA LYS 108 HA LYS 108 13.019 21.100 -7.180 801 1HB LYS 108 HB2 LYS 108 12.615 21.850 -4.396 802 2HB LYS 108 HB1 LYS 108 13.508 23.121 -5.223 803 1HG LYS 108 HG1 LYS 108 11.807 23.388 -6.873 804 2HG LYS 108 HG2 LYS 108 11.030 21.872 -6.432 805 1HD LYS 108 HD1 LYS 108 11.280 23.780 -4.192 806 2HD LYS 108 HD2 LYS 108 10.266 24.360 -5.507 807 1HE LYS 108 HE1 LYS 108 8.853 23.123 -3.974 808 2HE LYS 108 HE2 LYS 108 9.034 22.157 -5.433 809 1HZ LYS 108 HZ1 LYS 108 10.646 20.794 -4.371 810 2HZ LYS 108 HZ2 LYS 108 10.710 21.810 -3.011 811 H LEU 109 HN LEU 109 14.739 21.238 -8.446 812 HA LEU 109 HA LEU 109 17.389 21.863 -7.280 813 1HB LEU 109 HB2 LEU 109 16.462 20.318 -9.491 814 2HB LEU 109 HB1 LEU 109 17.315 21.681 -10.200 815 HG LEU 109 HG LEU 109 18.918 20.820 -8.024 816 1HD1 LEU 109 HD13 LEU 109 17.896 18.526 -9.737 817 2HD1 LEU 109 HD11 LEU 109 19.302 18.429 -8.682 818 3HD1 LEU 109 HD12 LEU 109 17.702 18.693 -7.994 819 1HD2 LEU 109 HD21 LEU 109 19.162 20.342 -11.016 820 2HD2 LEU 109 HD22 LEU 109 19.726 21.768 -10.150 821 3HD2 LEU 109 HD23 LEU 109 20.483 20.206 -9.861 822 H GLU 110 HN GLU 110 17.048 23.999 -6.692 823 HA GLU 110 HA GLU 110 16.734 25.908 -8.978 824 1HB GLU 110 HB2 GLU 110 16.451 26.906 -6.171 825 2HB GLU 110 HB1 GLU 110 15.482 27.288 -7.588 826 1HG GLU 110 HG1 GLU 110 14.508 24.923 -7.397 827 2HG GLU 110 HG2 GLU 110 15.284 24.832 -5.819 828 H ILE 111 HN ILE 111 18.216 27.537 -9.216 829 HA ILE 111 HA ILE 111 20.850 27.063 -8.118 830 HB ILE 111 HB ILE 111 19.879 29.623 -9.463 831 1HG1 ILE 111 HG11 ILE 111 21.059 27.292 -10.970 832 2HG1 ILE 111 HG12 ILE 111 19.324 27.387 -10.697 833 1HG2 ILE 111 HG22 ILE 111 22.549 28.152 -9.264 834 2HG2 ILE 111 HG23 ILE 111 22.290 29.556 -10.296 835 3HG2 ILE 111 HG21 ILE 111 22.155 29.714 -8.547 836 1HD1 ILE 111 HD13 ILE 111 20.613 29.889 -11.658 837 2HD1 ILE 111 HD11 ILE 111 20.557 28.565 -12.816 838 3HD1 ILE 111 HD12 ILE 111 19.066 29.181 -12.111 839 H LYS 112 HN LYS 112 21.934 28.110 -6.521 840 HA LYS 112 HA LYS 112 20.370 29.432 -4.488 841 1HB LYS 112 HB2 LYS 112 22.825 28.151 -4.561 842 2HB LYS 112 HB1 LYS 112 23.322 29.835 -4.452 843 1HG LYS 112 HG1 LYS 112 21.350 29.821 -2.582 844 2HG LYS 112 HG2 LYS 112 21.887 28.151 -2.458 845 1HD LYS 112 HD1 LYS 112 23.286 29.307 -0.933 846 2HD LYS 112 HD2 LYS 112 24.287 29.132 -2.369 847 1HE LYS 112 HE1 LYS 112 23.097 31.471 -2.979 848 2HE LYS 112 HE2 LYS 112 23.020 31.583 -1.227 849 1HZ LYS 112 HZ1 LYS 112 25.465 31.109 -2.841 850 2HZ LYS 112 HZ2 LYS 112 25.042 32.559 -2.062 851 NH1 ARG 113 NH1 ARG 113 19.364 37.229 -8.194 852 NH2 ARG 113 NH2 ARG 113 20.045 36.139 -10.069 853 H ARG 113 HN ARG 113 21.382 31.563 -3.545 854 HA ARG 113 HA ARG 113 22.023 33.465 -5.733 855 1HB ARG 113 HB2 ARG 113 19.438 33.214 -4.923 856 2HB ARG 113 HB1 ARG 113 19.998 34.341 -3.692 857 1HG ARG 113 HG1 ARG 113 19.221 35.709 -5.489 858 2HG ARG 113 HG2 ARG 113 20.977 35.729 -5.616 859 1HD ARG 113 HD1 ARG 113 20.458 33.554 -7.150 860 2HD ARG 113 HD2 ARG 113 18.963 34.454 -7.410 861 HE ARG 113 HE ARG 113 21.691 35.426 -8.115 862 1HH1 ARG 113 HH11 ARG 113 19.381 37.307 -7.198 863 2HH1 ARG 113 HH12 ARG 113 18.834 37.877 -8.736 864 1HH2 ARG 113 HH21 ARG 113 20.573 35.398 -10.482 865 2HH2 ARG 113 HH22 ARG 113 19.528 36.768 -10.648 Start of MODEL 11 Raw file had 865 H/Q atoms Start of MODEL 11 1 1H ASP 1 HT2 ASP 1 2.307 -0.781 -6.978 2 2H ASP 1 HT3 ASP 1 3.841 -1.368 -6.543 3 3H ASP 1 HT1 ASP 1 2.452 -2.277 -6.185 4 HA ASP 1 HA ASP 1 1.849 -0.983 -4.434 5 1HB ASP 1 HB2 ASP 1 4.758 -0.164 -4.370 6 2HB ASP 1 HB1 ASP 1 3.765 -0.800 -3.061 7 H VAL 2 HN VAL 2 2.098 1.086 -3.231 8 HA VAL 2 HA VAL 2 1.497 3.186 -5.112 9 HB VAL 2 HB VAL 2 1.853 3.286 -2.078 10 1HG1 VAL 2 HG13 VAL 2 0.784 5.260 -4.109 11 2HG1 VAL 2 HG11 VAL 2 0.283 5.324 -2.423 12 3HG1 VAL 2 HG12 VAL 2 1.979 5.537 -2.847 13 1HG2 VAL 2 HG22 VAL 2 -0.620 2.984 -3.821 14 2HG2 VAL 2 HG23 VAL 2 0.066 1.741 -2.778 15 3HG2 VAL 2 HG21 VAL 2 -0.639 3.192 -2.074 16 H VAL 3 HN VAL 3 2.597 5.169 -5.362 17 HA VAL 3 HA VAL 3 5.530 4.927 -4.959 18 HB VAL 3 HB VAL 3 3.993 7.046 -6.530 19 1HG1 VAL 3 HG13 VAL 3 6.862 6.100 -6.407 20 2HG1 VAL 3 HG11 VAL 3 6.249 6.946 -7.824 21 3HG1 VAL 3 HG12 VAL 3 6.244 7.742 -6.253 22 1HG2 VAL 3 HG21 VAL 3 4.918 4.275 -7.336 23 2HG2 VAL 3 HG22 VAL 3 3.315 4.981 -7.527 24 3HG2 VAL 3 HG23 VAL 3 4.652 5.548 -8.523 25 H MET 4 HN MET 4 6.744 6.818 -4.290 26 HA MET 4 HA MET 4 5.266 8.883 -2.781 27 1HB MET 4 HB2 MET 4 6.713 6.599 -1.565 28 2HB MET 4 HB1 MET 4 7.236 8.160 -0.941 29 1HG MET 4 HG1 MET 4 4.367 7.210 -1.114 30 2HG MET 4 HG2 MET 4 5.336 7.193 0.337 31 1HE MET 4 HE2 MET 4 2.758 8.164 0.820 32 2HE MET 4 HE3 MET 4 4.050 8.467 1.981 33 3HE MET 4 HE1 MET 4 2.936 9.763 1.542 34 H THR 5 HN THR 5 6.129 10.691 -3.516 35 HA THR 5 HA THR 5 9.037 10.748 -4.160 36 HB THR 5 HB THR 5 6.888 12.848 -4.812 37 HG1 THR 5 HG1 THR 5 7.775 10.446 -5.990 38 1HG2 THR 5 HG22 THR 5 9.621 12.136 -6.025 39 2HG2 THR 5 HG23 THR 5 8.529 13.358 -6.667 40 3HG2 THR 5 HG21 THR 5 9.289 13.596 -5.097 41 H GLN 6 HN GLN 6 10.394 11.708 -2.815 42 HA GLN 6 HA GLN 6 9.255 13.567 -0.772 43 1HB GLN 6 HB2 GLN 6 11.084 11.315 -0.640 44 2HB GLN 6 HB1 GLN 6 11.909 12.762 -0.071 45 1HG GLN 6 HG1 GLN 6 10.866 12.249 1.909 46 2HG GLN 6 HG2 GLN 6 9.500 13.070 1.165 47 1HE2 GLN 6 HE22 GLN 6 7.755 10.000 0.445 48 2HE2 GLN 6 HE21 GLN 6 7.982 11.579 -0.137 49 H THR 7 HN THR 7 9.987 15.577 -0.615 50 HA THR 7 HA THR 7 12.564 16.408 -1.726 51 HB THR 7 HB THR 7 10.751 18.239 -2.986 52 HG1 THR 7 HG1 THR 7 10.044 15.497 -3.275 53 1HG2 THR 7 HG23 THR 7 12.954 16.975 -3.859 54 2HG2 THR 7 HG21 THR 7 11.807 15.760 -4.411 55 3HG2 THR 7 HG22 THR 7 11.711 17.405 -5.029 56 HA PRO 8 HA PRO 8 13.190 18.447 -2.484 57 1HB PRO 8 HB2 PRO 8 15.089 20.090 -1.171 58 2HB PRO 8 HB1 PRO 8 13.841 20.657 -2.282 59 1HG PRO 8 HG1 PRO 8 13.990 20.991 0.623 60 2HG PRO 8 HG2 PRO 8 12.887 21.764 -0.516 61 1HD PRO 8 HD1 PRO 8 12.314 19.599 1.307 62 2HD PRO 8 HD2 PRO 8 11.207 20.365 0.152 63 H LEU 9 HN LEU 9 15.675 18.083 -2.514 64 HA LEU 9 HA LEU 9 16.213 15.747 -0.829 65 1HB LEU 9 HB2 LEU 9 18.196 17.144 -2.674 66 2HB LEU 9 HB1 LEU 9 18.148 15.441 -2.236 67 HG LEU 9 HG LEU 9 15.967 16.832 -3.828 68 1HD1 LEU 9 HD13 LEU 9 18.201 16.737 -5.002 69 2HD1 LEU 9 HD11 LEU 9 18.156 14.985 -4.830 70 3HD1 LEU 9 HD12 LEU 9 16.938 15.805 -5.801 71 1HD2 LEU 9 HD22 LEU 9 16.545 13.979 -3.006 72 2HD2 LEU 9 HD23 LEU 9 15.055 14.894 -2.800 73 3HD2 LEU 9 HD21 LEU 9 15.533 14.337 -4.401 74 H SER 10 HN SER 10 17.436 19.022 -1.196 75 HA SER 10 HA SER 10 18.724 18.773 1.487 76 1HB SER 10 HB2 SER 10 20.486 18.696 -0.303 77 2HB SER 10 HB1 SER 10 19.866 20.221 -0.968 78 HG SER 10 HG SER 10 21.595 20.475 0.599 79 H LEU 11 HN LEU 11 18.750 20.710 2.712 80 HA LEU 11 HA LEU 11 17.274 23.016 1.553 81 1HB LEU 11 HB2 LEU 11 15.791 21.274 2.864 82 2HB LEU 11 HB1 LEU 11 16.542 21.958 4.299 83 HG LEU 11 HG LEU 11 15.852 24.252 3.020 84 1HD1 LEU 11 HD13 LEU 11 14.794 22.861 1.177 85 2HD1 LEU 11 HD11 LEU 11 13.620 22.298 2.364 86 3HD1 LEU 11 HD12 LEU 11 13.697 24.006 1.941 87 1HD2 LEU 11 HD22 LEU 11 14.045 22.534 4.759 88 2HD2 LEU 11 HD23 LEU 11 15.263 23.665 5.338 89 3HD2 LEU 11 HD21 LEU 11 13.839 24.262 4.491 90 HA PRO 12 HA PRO 12 20.847 24.354 4.104 91 1HB PRO 12 HB2 PRO 12 21.277 26.499 2.228 92 2HB PRO 12 HB1 PRO 12 22.261 25.047 2.417 93 1HG PRO 12 HG1 PRO 12 20.447 25.706 0.251 94 2HG PRO 12 HG2 PRO 12 21.494 24.295 0.399 95 1HD PRO 12 HD1 PRO 12 18.621 24.410 0.710 96 2HD PRO 12 HD2 PRO 12 19.672 22.988 0.851 97 H VAL 13 HN VAL 13 19.861 25.342 5.795 98 HA VAL 13 HA VAL 13 18.551 27.984 5.268 99 HB VAL 13 HB VAL 13 16.844 27.459 6.924 100 1HG1 VAL 13 HG11 VAL 13 16.896 26.268 4.537 101 2HG1 VAL 13 HG12 VAL 13 17.032 24.817 5.525 102 3HG1 VAL 13 HG13 VAL 13 15.644 25.883 5.714 103 1HG2 VAL 13 HG21 VAL 13 18.617 25.065 7.491 104 2HG2 VAL 13 HG22 VAL 13 18.085 26.310 8.619 105 3HG2 VAL 13 HG23 VAL 13 16.937 25.119 8.014 106 H SER 14 HN SER 14 18.145 29.095 7.473 107 HA SER 14 HA SER 14 20.748 29.076 8.939 108 1HB SER 14 HB2 SER 14 18.735 31.242 8.231 109 2HB SER 14 HB1 SER 14 19.816 31.470 9.620 110 HG SER 14 HG SER 14 20.605 32.077 7.406 111 H LEU 15 HN LEU 15 20.660 29.509 11.232 112 HA LEU 15 HA LEU 15 18.611 27.948 12.535 113 1HB LEU 15 HB2 LEU 15 20.780 29.773 13.673 114 2HB LEU 15 HB1 LEU 15 19.819 28.641 14.619 115 HG LEU 15 HG LEU 15 21.390 27.719 12.205 116 1HD1 LEU 15 HD11 LEU 15 22.938 28.855 13.800 117 2HD1 LEU 15 HD12 LEU 15 22.357 27.796 15.081 118 3HD1 LEU 15 HD13 LEU 15 23.226 27.121 13.707 119 1HD2 LEU 15 HD22 LEU 15 20.171 26.431 14.657 120 2HD2 LEU 15 HD23 LEU 15 19.795 26.112 12.967 121 3HD2 LEU 15 HD21 LEU 15 21.336 25.590 13.641 122 H GLY 16 HN GLY 16 16.708 28.981 12.049 123 1HA GLY 16 HA1 GLY 16 15.331 30.455 13.809 124 2HA GLY 16 HA2 GLY 16 16.285 31.737 13.072 125 H ASP 17 HN ASP 17 16.009 29.811 10.567 126 HA ASP 17 HA ASP 17 13.756 31.314 9.456 127 1HB ASP 17 HB2 ASP 17 16.067 30.273 8.385 128 2HB ASP 17 HB1 ASP 17 14.911 29.029 7.917 129 H GLN 18 HN GLN 18 12.568 29.583 7.731 130 HA GLN 18 HA GLN 18 11.167 27.705 9.596 131 1HB GLN 18 HB2 GLN 18 10.225 29.285 7.167 132 2HB GLN 18 HB1 GLN 18 9.267 27.981 7.859 133 1HG GLN 18 HG1 GLN 18 8.757 29.185 9.768 134 2HG GLN 18 HG2 GLN 18 10.292 30.051 9.756 135 1HE2 GLN 18 HE22 GLN 18 9.032 32.780 7.932 136 2HE2 GLN 18 HE21 GLN 18 10.352 32.087 8.741 137 H ALA 19 HN ALA 19 10.400 25.705 8.714 138 HA ALA 19 HA ALA 19 12.051 24.768 6.396 139 1HB ALA 19 HB3 ALA 19 12.170 23.791 8.914 140 2HB ALA 19 HB1 ALA 19 10.803 22.841 8.343 141 3HB ALA 19 HB2 ALA 19 12.356 22.734 7.520 142 H SER 20 HN SER 20 11.075 23.029 5.099 143 HA SER 20 HA SER 20 8.195 22.624 5.233 144 1HB SER 20 HB2 SER 20 7.747 23.698 2.974 145 2HB SER 20 HB1 SER 20 8.273 24.891 4.180 146 HG SER 20 HG SER 20 9.848 23.569 2.222 147 H ILE 21 HN ILE 21 9.267 20.489 5.333 148 HA ILE 21 HA ILE 21 10.499 19.487 2.869 149 HB ILE 21 HB ILE 21 9.399 17.790 5.133 150 1HG1 ILE 21 HG11 ILE 21 12.163 19.033 5.125 151 2HG1 ILE 21 HG12 ILE 21 10.813 19.757 5.988 152 1HG2 ILE 21 HG21 ILE 21 11.494 17.568 2.967 153 2HG2 ILE 21 HG22 ILE 21 11.714 16.636 4.442 154 3HG2 ILE 21 HG23 ILE 21 10.280 16.388 3.451 155 1HD1 ILE 21 HD11 ILE 21 11.250 16.846 6.446 156 2HD1 ILE 21 HD12 ILE 21 12.457 17.933 7.124 157 3HD1 ILE 21 HD13 ILE 21 10.766 18.099 7.583 158 H SER 22 HN SER 22 9.386 18.846 1.175 159 HA SER 22 HA SER 22 6.484 18.388 1.398 160 1HB SER 22 HB2 SER 22 7.508 19.774 -0.479 161 2HB SER 22 HB1 SER 22 8.236 18.281 -1.111 162 HG SER 22 HG SER 22 5.475 18.795 -0.616 163 H CYS 23 HN CYS 23 5.427 16.623 0.460 164 HA CYS 23 HA CYS 23 6.868 14.169 -0.228 165 1HB CYS 23 HB2 CYS 23 5.570 14.642 2.442 166 2HB CYS 23 HB1 CYS 23 5.326 13.075 1.717 167 NH1 ARG 24 NH1 ARG 24 0.854 18.474 -5.375 168 NH2 ARG 24 NH2 ARG 24 2.519 18.149 -6.886 169 H ARG 24 HN ARG 24 5.677 13.718 -2.017 170 HA ARG 24 HA ARG 24 2.695 13.886 -1.763 171 1HB ARG 24 HB2 ARG 24 4.531 14.089 -4.192 172 2HB ARG 24 HB1 ARG 24 2.777 14.014 -4.310 173 1HG ARG 24 HG1 ARG 24 2.569 16.068 -2.982 174 2HG ARG 24 HG2 ARG 24 4.315 16.128 -2.761 175 1HD ARG 24 HD1 ARG 24 4.705 16.789 -4.951 176 2HD ARG 24 HD2 ARG 24 3.281 15.950 -5.567 177 HE ARG 24 HE ARG 24 2.975 18.427 -3.919 178 1HH1 ARG 24 HH11 ARG 24 0.552 18.469 -4.421 179 2HH1 ARG 24 HH12 ARG 24 0.216 18.727 -6.100 180 1HH2 ARG 24 HH21 ARG 24 3.468 17.901 -7.071 181 2HH2 ARG 24 HH22 ARG 24 1.909 18.389 -7.638 182 H SER 25 HN SER 25 1.423 12.294 -2.803 183 HA SER 25 HA SER 25 2.856 9.721 -3.334 184 1HB SER 25 HB2 SER 25 1.055 8.528 -2.125 185 2HB SER 25 HB1 SER 25 1.645 9.816 -1.057 186 HG SER 25 HG SER 25 -0.745 9.602 -2.444 187 H SER 26 HN SER 26 2.134 8.560 -5.070 188 HA SER 26 HA SER 26 0.768 9.846 -7.169 189 1HB SER 26 HB2 SER 26 2.123 7.765 -7.484 190 2HB SER 26 HB1 SER 26 0.896 6.834 -6.602 191 HG SER 26 HG SER 26 -0.435 7.009 -8.246 192 H GLN 27 HN GLN 27 -0.568 7.400 -4.946 193 HA GLN 27 HA GLN 27 -3.295 8.276 -5.783 194 1HB GLN 27 HB2 GLN 27 -2.391 5.779 -5.823 195 2HB GLN 27 HB1 GLN 27 -2.709 5.833 -4.093 196 1HG GLN 27 HG1 GLN 27 -5.050 6.761 -4.780 197 2HG GLN 27 HG2 GLN 27 -4.664 6.123 -6.375 198 1HE2 GLN 27 HE22 GLN 27 -5.015 3.438 -3.273 199 2HE2 GLN 27 HE21 GLN 27 -4.447 5.005 -2.947 200 H SER 28 HN SER 28 -4.905 8.621 -4.203 201 HA SER 28 HA SER 28 -4.034 10.096 -1.911 202 1HB SER 28 HB2 SER 28 -6.622 9.611 -1.282 203 2HB SER 28 HB1 SER 28 -6.229 10.679 -2.642 204 HG SER 28 HG SER 28 -7.389 8.235 -2.669 205 H LEU 29 HN LEU 29 -3.295 9.355 -0.037 206 HA LEU 29 HA LEU 29 -3.408 6.515 0.599 207 1HB LEU 29 HB2 LEU 29 -2.540 8.855 2.356 208 2HB LEU 29 HB1 LEU 29 -2.113 7.170 2.592 209 HG LEU 29 HG LEU 29 -1.405 8.680 0.059 210 1HD1 LEU 29 HD11 LEU 29 0.200 8.288 2.607 211 2HD1 LEU 29 HD12 LEU 29 0.883 8.843 1.083 212 3HD1 LEU 29 HD13 LEU 29 -0.316 9.823 1.916 213 1HD2 LEU 29 HD22 LEU 29 -0.588 6.051 1.328 214 2HD2 LEU 29 HD23 LEU 29 -1.286 6.312 -0.268 215 3HD2 LEU 29 HD21 LEU 29 0.370 6.810 0.060 216 H VAL 30 HN VAL 30 -5.952 7.984 0.434 217 HA VAL 30 HA VAL 30 -6.947 7.993 3.215 218 HB VAL 30 HB VAL 30 -8.381 8.482 0.555 219 1HG1 VAL 30 HG12 VAL 30 -9.184 8.849 3.454 220 2HG1 VAL 30 HG13 VAL 30 -9.988 9.715 2.149 221 3HG1 VAL 30 HG11 VAL 30 -10.036 7.956 2.198 222 1HG2 VAL 30 HG21 VAL 30 -6.536 10.105 1.058 223 2HG2 VAL 30 HG22 VAL 30 -8.125 10.862 1.075 224 3HG2 VAL 30 HG23 VAL 30 -7.319 10.473 2.592 225 H HIS 31 HN HIS 31 -8.438 6.550 4.025 226 HA HIS 31 HA HIS 31 -8.635 3.986 2.539 227 1HB HIS 31 HB2 HIS 31 -7.924 4.351 5.078 228 2HB HIS 31 HB1 HIS 31 -9.662 4.412 5.352 229 HD2 HIS 31 HD2 HIS 31 -6.885 1.842 4.849 230 HE1 HIS 31 HE1 HIS 31 -10.447 -0.190 4.324 231 H SER 32 HN SER 32 -10.720 2.756 2.849 232 HA SER 32 HA SER 32 -12.878 4.270 1.699 233 1HB SER 32 HB2 SER 32 -12.306 1.646 1.658 234 2HB SER 32 HB1 SER 32 -13.388 1.618 3.063 235 HG SER 32 HG SER 32 -14.829 2.944 1.732 236 H ASN 33 HN ASN 33 -12.113 3.347 4.992 237 HA ASN 33 HA ASN 33 -14.761 3.990 6.024 238 1HB ASN 33 HB2 ASN 33 -13.251 4.091 8.254 239 2HB ASN 33 HB1 ASN 33 -13.637 2.550 7.497 240 1HD2 ASN 33 HD22 ASN 33 -10.305 1.864 6.600 241 2HD2 ASN 33 HD21 ASN 33 -11.920 1.340 6.605 242 H GLY 34 HN GLY 34 -12.092 5.864 5.070 243 1HA GLY 34 HA1 GLY 34 -12.413 8.299 4.884 244 2HA GLY 34 HA2 GLY 34 -13.334 8.247 6.381 245 H ASN 35 HN ASN 35 -11.158 6.331 7.426 246 HA ASN 35 HA ASN 35 -9.540 8.458 8.616 247 1HB ASN 35 HB2 ASN 35 -9.749 5.451 8.924 248 2HB ASN 35 HB1 ASN 35 -8.359 6.288 9.606 249 1HD2 ASN 35 HD22 ASN 35 -10.230 7.856 12.188 250 2HD2 ASN 35 HD21 ASN 35 -8.763 7.859 11.336 251 H THR 36 HN THR 36 -7.585 9.107 8.021 252 HA THR 36 HA THR 36 -6.221 7.614 5.821 253 HB THR 36 HB THR 36 -5.787 10.518 6.752 254 HG1 THR 36 HG1 THR 36 -7.887 9.563 5.755 255 1HG2 THR 36 HG21 THR 36 -3.963 9.401 5.291 256 2HG2 THR 36 HG22 THR 36 -5.211 9.120 4.081 257 3HG2 THR 36 HG23 THR 36 -4.760 10.765 4.513 258 OH TYR 37 OH TYR 37 -7.471 3.356 9.352 259 H TYR 37 HN TYR 37 -3.905 7.373 5.928 260 HA TYR 37 HA TYR 37 -2.820 7.603 8.708 261 1HB TYR 37 HB2 TYR 37 -2.272 5.321 6.755 262 2HB TYR 37 HB1 TYR 37 -1.764 5.410 8.439 263 HD1 TYR 37 HD2 TYR 37 -3.511 5.354 10.254 264 HD2 TYR 37 HD1 TYR 37 -4.500 4.621 6.183 265 HE1 TYR 37 HE2 TYR 37 -5.639 4.352 10.950 266 HE2 TYR 37 HE1 TYR 37 -6.629 3.626 6.880 267 HH TYR 37 HH TYR 37 -7.349 2.403 9.395 268 H LEU 38 HN LEU 38 -0.795 8.323 8.922 269 HA LEU 38 HA LEU 38 1.164 8.311 6.775 270 1HB LEU 38 HB2 LEU 38 -0.548 10.278 6.334 271 2HB LEU 38 HB1 LEU 38 0.246 11.060 7.694 272 HG LEU 38 HG LEU 38 2.365 10.122 6.113 273 1HD1 LEU 38 HD11 LEU 38 0.576 9.763 4.332 274 2HD1 LEU 38 HD12 LEU 38 0.343 11.508 4.332 275 3HD1 LEU 38 HD13 LEU 38 1.897 10.828 3.862 276 1HD2 LEU 38 HD21 LEU 38 1.034 12.808 6.512 277 2HD2 LEU 38 HD22 LEU 38 2.548 12.221 7.196 278 3HD2 LEU 38 HD23 LEU 38 2.461 12.649 5.490 279 H ASN 39 HN ASN 39 3.190 9.501 7.489 280 HA ASN 39 HA ASN 39 3.371 10.257 10.286 281 1HB ASN 39 HB2 ASN 39 3.803 8.188 11.150 282 2HB ASN 39 HB1 ASN 39 3.735 7.471 9.544 283 1HD2 ASN 39 HD22 ASN 39 7.361 8.406 11.197 284 2HD2 ASN 39 HD21 ASN 39 5.935 9.028 11.875 285 CH2 TRP 40 CH2 TRP 40 7.493 15.635 5.337 286 H TRP 40 HN TRP 40 5.300 11.165 10.882 287 HA TRP 40 HA TRP 40 7.239 11.637 8.651 288 1HB TRP 40 HB2 TRP 40 6.123 13.435 10.832 289 2HB TRP 40 HB1 TRP 40 7.687 13.800 10.110 290 HD1 TRP 40 HD1 TRP 40 3.934 13.788 9.315 291 HE1 TRP 40 HE1 TRP 40 3.688 14.942 7.077 292 HE3 TRP 40 HE3 TRP 40 8.721 14.135 8.094 293 HZ2 TRP 40 HZ2 TRP 40 5.418 15.957 4.930 294 HZ3 TRP 40 HZ3 TRP 40 9.473 15.180 5.997 295 HH2 TRP 40 HH2 TRP 40 7.824 16.102 4.422 296 OH TYR 41 OH TYR 41 7.473 5.583 12.874 297 H TYR 41 HN TYR 41 9.463 11.842 9.279 298 HA TYR 41 HA TYR 41 10.123 10.964 12.048 299 1HB TYR 41 HB2 TYR 41 10.726 9.504 9.451 300 2HB TYR 41 HB1 TYR 41 11.834 9.348 10.806 301 HD1 TYR 41 HD1 TYR 41 9.986 9.338 13.112 302 HD2 TYR 41 HD2 TYR 41 9.603 7.434 9.332 303 HE1 TYR 41 HE1 TYR 41 8.573 7.612 14.127 304 HE2 TYR 41 HE2 TYR 41 8.179 5.712 10.346 305 HH TYR 41 HH TYR 41 6.577 5.927 12.908 306 H LEU 42 HN LEU 42 12.245 11.446 12.686 307 HA LEU 42 HA LEU 42 13.871 13.062 10.778 308 1HB LEU 42 HB2 LEU 42 12.751 14.699 12.223 309 2HB LEU 42 HB1 LEU 42 13.127 13.768 13.663 310 HG LEU 42 HG LEU 42 15.507 14.232 13.421 311 1HD1 LEU 42 HD13 LEU 42 14.635 15.099 10.697 312 2HD1 LEU 42 HD11 LEU 42 15.983 15.966 11.424 313 3HD1 LEU 42 HD12 LEU 42 16.084 14.225 11.180 314 1HD2 LEU 42 HD21 LEU 42 13.533 16.257 13.769 315 2HD2 LEU 42 HD22 LEU 42 15.182 16.246 14.385 316 3HD2 LEU 42 HD23 LEU 42 14.835 16.968 12.819 317 H GLN 43 HN GLN 43 15.040 11.099 10.563 318 HA GLN 43 HA GLN 43 16.241 9.639 12.667 319 1HB GLN 43 HB2 GLN 43 16.958 10.157 9.766 320 2HB GLN 43 HB1 GLN 43 18.049 9.219 10.776 321 1HG GLN 43 HG1 GLN 43 16.250 7.917 9.433 322 2HG GLN 43 HG2 GLN 43 16.440 7.511 11.135 323 1HE2 GLN 43 HE22 GLN 43 13.126 8.344 11.897 324 2HE2 GLN 43 HE21 GLN 43 14.550 7.534 12.335 325 H LYS 44 HN LYS 44 17.198 10.829 14.282 326 HA LYS 44 HA LYS 44 19.320 12.761 13.481 327 1HB LYS 44 HB2 LYS 44 17.316 12.833 15.437 328 2HB LYS 44 HB1 LYS 44 18.742 12.420 16.363 329 1HG LYS 44 HG1 LYS 44 18.672 14.727 14.394 330 2HG LYS 44 HG2 LYS 44 18.266 14.921 16.092 331 1HD LYS 44 HD1 LYS 44 20.456 15.133 16.567 332 2HD LYS 44 HD2 LYS 44 20.720 13.486 16.013 333 1HE LYS 44 HE1 LYS 44 20.686 14.556 13.617 334 2HE LYS 44 HE2 LYS 44 20.980 16.066 14.471 335 1HZ LYS 44 HZ1 LYS 44 23.075 15.212 13.917 336 2HZ LYS 44 HZ2 LYS 44 22.885 14.871 15.573 337 H ALA 45 HN ALA 45 21.358 12.641 14.617 338 HA ALA 45 HA ALA 45 22.495 10.025 14.593 339 1HB ALA 45 HB1 ALA 45 23.755 12.228 14.370 340 2HB ALA 45 HB2 ALA 45 23.536 12.469 16.100 341 3HB ALA 45 HB3 ALA 45 24.494 11.113 15.514 342 H GLY 46 HN GLY 46 21.804 8.479 15.940 343 1HA GLY 46 HA1 GLY 46 21.893 7.369 18.070 344 2HA GLY 46 HA2 GLY 46 22.109 8.932 18.851 345 H GLN 47 HN GLN 47 19.969 10.322 17.752 346 HA GLN 47 HA GLN 47 17.769 9.248 19.351 347 1HB GLN 47 HB2 GLN 47 18.577 11.778 18.542 348 2HB GLN 47 HB1 GLN 47 17.204 11.488 17.490 349 1HG GLN 47 HG1 GLN 47 15.899 10.779 19.571 350 2HG GLN 47 HG2 GLN 47 17.237 11.416 20.523 351 1HE2 GLN 47 HE22 GLN 47 15.354 14.220 18.184 352 2HE2 GLN 47 HE21 GLN 47 15.785 12.727 17.505 353 H SER 48 HN SER 48 18.815 8.215 16.564 354 HA SER 48 HA SER 48 17.123 8.291 14.487 355 1HB SER 48 HB2 SER 48 18.497 6.491 14.060 356 2HB SER 48 HB1 SER 48 18.625 6.083 15.778 357 HG SER 48 HG SER 48 17.432 4.470 14.814 358 HA PRO 49 HA PRO 49 13.631 5.646 16.401 359 1HB PRO 49 HB2 PRO 49 13.859 5.512 19.269 360 2HB PRO 49 HB1 PRO 49 14.043 4.179 18.130 361 1HG PRO 49 HG1 PRO 49 16.109 5.514 19.669 362 2HG PRO 49 HG2 PRO 49 16.280 4.123 18.599 363 1HD PRO 49 HD1 PRO 49 17.113 6.843 18.111 364 2HD PRO 49 HD2 PRO 49 17.292 5.442 17.044 365 H LYS 50 HN LYS 50 12.735 7.731 15.837 366 HA LYS 50 HA LYS 50 11.476 9.059 18.153 367 1HB LYS 50 HB2 LYS 50 13.803 10.138 16.860 368 2HB LYS 50 HB1 LYS 50 12.443 11.139 16.373 369 1HG LYS 50 HG1 LYS 50 12.509 10.413 19.252 370 2HG LYS 50 HG2 LYS 50 13.805 11.474 18.715 371 1HD LYS 50 HD1 LYS 50 12.158 13.034 17.750 372 2HD LYS 50 HD2 LYS 50 10.845 11.963 18.225 373 1HE LYS 50 HE1 LYS 50 11.158 13.815 19.857 374 2HE LYS 50 HE2 LYS 50 11.440 12.242 20.594 375 1HZ LYS 50 HZ1 LYS 50 13.543 14.079 19.582 376 2HZ LYS 50 HZ2 LYS 50 13.152 13.815 21.214 377 H LEU 51 HN LEU 51 9.708 10.426 17.575 378 HA LEU 51 HA LEU 51 8.794 10.192 14.737 379 1HB LEU 51 HB2 LEU 51 7.532 8.464 15.854 380 2HB LEU 51 HB1 LEU 51 7.331 9.432 17.305 381 HG LEU 51 HG LEU 51 5.860 11.003 16.013 382 1HD1 LEU 51 HD12 LEU 51 6.982 9.733 13.782 383 2HD1 LEU 51 HD13 LEU 51 5.336 9.107 13.843 384 3HD1 LEU 51 HD11 LEU 51 5.615 10.843 13.759 385 1HD2 LEU 51 HD23 LEU 51 4.901 9.134 17.325 386 2HD2 LEU 51 HD21 LEU 51 3.937 9.452 15.887 387 3HD2 LEU 51 HD22 LEU 51 5.039 8.079 15.923 388 H LEU 52 HN LEU 52 7.342 11.841 14.078 389 HA LEU 52 HA LEU 52 7.292 14.195 15.924 390 1HB LEU 52 HB2 LEU 52 8.418 13.875 13.272 391 2HB LEU 52 HB1 LEU 52 7.115 15.053 13.192 392 HG LEU 52 HG LEU 52 8.128 16.357 14.999 393 1HD1 LEU 52 HD13 LEU 52 9.883 13.926 15.185 394 2HD1 LEU 52 HD11 LEU 52 10.573 15.492 15.603 395 3HD1 LEU 52 HD12 LEU 52 9.172 14.888 16.479 396 1HD2 LEU 52 HD23 LEU 52 10.073 15.516 12.827 397 2HD2 LEU 52 HD21 LEU 52 8.948 16.870 12.772 398 3HD2 LEU 52 HD22 LEU 52 10.322 16.911 13.872 399 H ILE 53 HN ILE 53 5.763 13.339 12.816 400 HA ILE 53 HA ILE 53 3.124 13.943 14.100 401 HB ILE 53 HB ILE 53 4.136 14.691 11.323 402 1HG1 ILE 53 HG11 ILE 53 4.738 16.077 13.454 403 2HG1 ILE 53 HG12 ILE 53 4.179 16.907 12.008 404 1HG2 ILE 53 HG21 ILE 53 1.383 14.872 12.608 405 2HG2 ILE 53 HG22 ILE 53 1.831 15.854 11.218 406 3HG2 ILE 53 HG23 ILE 53 1.806 14.099 11.083 407 1HD1 ILE 53 HD12 ILE 53 2.301 16.027 14.203 408 2HD1 ILE 53 HD13 ILE 53 3.056 17.617 14.183 409 3HD1 ILE 53 HD11 ILE 53 1.969 17.141 12.885 410 OH TYR 54 OH TYR 54 -1.339 12.055 17.898 411 H TYR 54 HN TYR 54 1.312 12.813 13.232 412 HA TYR 54 HA TYR 54 1.966 10.585 11.378 413 1HB TYR 54 HB2 TYR 54 0.501 9.076 12.869 414 2HB TYR 54 HB1 TYR 54 2.080 9.493 13.523 415 HD1 TYR 54 HD1 TYR 54 2.185 11.548 15.107 416 HD2 TYR 54 HD2 TYR 54 -1.443 9.558 14.125 417 HE1 TYR 54 HE1 TYR 54 1.137 12.457 17.121 418 HE2 TYR 54 HE2 TYR 54 -2.491 10.478 16.144 419 HH TYR 54 HH TYR 54 -0.645 12.410 18.460 420 H LYS 55 HN LYS 55 -0.896 11.693 13.222 421 HA LYS 55 HA LYS 55 -2.562 11.162 10.882 422 1HB LYS 55 HB2 LYS 55 -3.019 11.343 13.633 423 2HB LYS 55 HB1 LYS 55 -3.743 12.827 13.032 424 1HG LYS 55 HG1 LYS 55 -5.530 11.363 12.763 425 2HG LYS 55 HG2 LYS 55 -4.759 11.201 11.190 426 1HD LYS 55 HD1 LYS 55 -3.351 9.336 12.560 427 2HD LYS 55 HD2 LYS 55 -4.858 9.273 13.465 428 1HE LYS 55 HE1 LYS 55 -5.562 9.372 10.709 429 2HE LYS 55 HE2 LYS 55 -4.280 8.178 10.863 430 1HZ LYS 55 HZ1 LYS 55 -6.271 7.037 11.227 431 2HZ LYS 55 HZ2 LYS 55 -5.610 7.255 12.778 432 H VAL 56 HN VAL 56 -1.244 12.582 9.529 433 HA VAL 56 HA VAL 56 -1.021 14.498 8.235 434 HB VAL 56 HB VAL 56 -3.512 15.505 9.685 435 1HG1 VAL 56 HG11 VAL 56 -2.319 17.101 8.182 436 2HG1 VAL 56 HG12 VAL 56 -2.452 15.937 6.867 437 3HG1 VAL 56 HG13 VAL 56 -3.903 16.668 7.547 438 1HG2 VAL 56 HG21 VAL 56 -3.205 13.508 7.424 439 2HG2 VAL 56 HG22 VAL 56 -4.066 13.286 8.944 440 3HG2 VAL 56 HG23 VAL 56 -4.707 14.378 7.720 441 H SER 57 HN SER 57 -2.479 16.008 11.119 442 HA SER 57 HA SER 57 0.068 17.567 11.399 443 1HB SER 57 HB2 SER 57 -2.305 18.683 10.769 444 2HB SER 57 HB1 SER 57 -2.537 18.597 12.528 445 HG SER 57 HG SER 57 -0.537 19.900 11.038 446 H ASN 58 HN ASN 58 -1.907 15.306 12.862 447 HA ASN 58 HA ASN 58 -1.788 16.053 15.607 448 1HB ASN 58 HB2 ASN 58 -1.947 13.392 14.145 449 2HB ASN 58 HB1 ASN 58 -1.924 13.461 15.903 450 1HD2 ASN 58 HD22 ASN 58 -5.105 15.373 14.131 451 2HD2 ASN 58 HD21 ASN 58 -3.556 15.563 13.466 452 NH1 ARG 59 NH1 ARG 59 0.914 20.465 14.923 453 NH2 ARG 59 NH2 ARG 59 1.744 22.347 15.894 454 H ARG 59 HN ARG 59 -0.085 16.307 16.883 455 HA ARG 59 HA ARG 59 2.503 15.072 16.098 456 1HB ARG 59 HB2 ARG 59 2.374 16.827 18.510 457 2HB ARG 59 HB1 ARG 59 3.516 16.856 17.174 458 1HG ARG 59 HG1 ARG 59 1.595 17.822 15.757 459 2HG ARG 59 HG2 ARG 59 0.749 18.076 17.280 460 1HD ARG 59 HD1 ARG 59 3.032 19.199 18.016 461 2HD ARG 59 HD2 ARG 59 3.275 19.373 16.279 462 HE ARG 59 HE ARG 59 1.166 20.718 17.874 463 1HH1 ARG 59 HH11 ARG 59 0.680 19.496 15.000 464 2HH1 ARG 59 HH12 ARG 59 0.759 20.951 14.066 465 1HH2 ARG 59 HH21 ARG 59 2.133 22.793 16.701 466 2HH2 ARG 59 HH22 ARG 59 1.609 22.869 15.054 467 H PHE 60 HN PHE 60 3.855 14.131 17.788 468 HA PHE 60 HA PHE 60 2.241 12.351 19.496 469 1HB PHE 60 HB2 PHE 60 4.356 11.713 18.078 470 2HB PHE 60 HB1 PHE 60 5.280 12.462 19.377 471 HD1 PHE 60 HD2 PHE 60 3.052 9.662 18.495 472 HD2 PHE 60 HD1 PHE 60 5.349 11.448 21.608 473 HE1 PHE 60 HE2 PHE 60 2.848 7.609 19.828 474 HE2 PHE 60 HE1 PHE 60 5.138 9.394 22.936 475 HZ PHE 60 HZ PHE 60 3.889 7.474 22.048 476 H SER 61 HN SER 61 2.567 12.139 21.764 477 HA SER 61 HA SER 61 2.657 14.564 23.215 478 1HB SER 61 HB2 SER 61 1.710 12.428 24.132 479 2HB SER 61 HB1 SER 61 3.347 11.748 24.220 480 HG SER 61 HG SER 61 3.921 13.311 25.668 481 H GLY 62 HN GLY 62 4.434 15.815 22.727 482 1HA GLY 62 HA1 GLY 62 6.608 16.137 24.190 483 2HA GLY 62 HA2 GLY 62 7.132 14.697 23.321 484 H VAL 63 HN VAL 63 5.717 15.530 20.873 485 HA VAL 63 HA VAL 63 7.868 16.962 19.628 486 HB VAL 63 HB VAL 63 4.994 16.577 18.664 487 1HG1 VAL 63 HG11 VAL 63 6.356 18.255 17.393 488 2HG1 VAL 63 HG12 VAL 63 7.566 17.010 17.103 489 3HG1 VAL 63 HG13 VAL 63 5.950 16.843 16.422 490 1HG2 VAL 63 HG22 VAL 63 6.100 14.439 19.286 491 2HG2 VAL 63 HG23 VAL 63 5.868 14.555 17.547 492 3HG2 VAL 63 HG21 VAL 63 7.457 14.846 18.242 493 HA PRO 64 HA PRO 64 6.720 21.013 21.030 494 1HB PRO 64 HB2 PRO 64 8.474 22.131 18.988 495 2HB PRO 64 HB1 PRO 64 8.751 22.051 20.728 496 1HG PRO 64 HG1 PRO 64 10.020 20.479 18.676 497 2HG PRO 64 HG2 PRO 64 10.269 20.370 20.419 498 1HD PRO 64 HD1 PRO 64 8.881 18.498 18.710 499 2HD PRO 64 HD2 PRO 64 9.133 18.388 20.462 500 H ASP 65 HN ASP 65 5.217 22.451 20.351 501 HA ASP 65 HA ASP 65 3.615 21.943 18.095 502 1HB ASP 65 HB2 ASP 65 3.394 23.581 20.252 503 2HB ASP 65 HB1 ASP 65 3.843 24.786 19.048 504 NH1 ARG 66 NH1 ARG 66 6.250 27.824 19.863 505 NH2 ARG 66 NH2 ARG 66 5.247 28.251 17.868 506 H ARG 66 HN ARG 66 6.692 23.376 18.207 507 HA ARG 66 HA ARG 66 6.575 25.235 16.061 508 1HB ARG 66 HB2 ARG 66 8.852 23.315 16.777 509 2HB ARG 66 HB1 ARG 66 9.021 24.793 15.839 510 1HG ARG 66 HG1 ARG 66 8.120 24.616 18.737 511 2HG ARG 66 HG2 ARG 66 9.679 25.204 18.173 512 1HD ARG 66 HD1 ARG 66 8.552 27.227 18.362 513 2HD ARG 66 HD2 ARG 66 8.132 26.813 16.699 514 HE ARG 66 HE ARG 66 6.067 25.657 17.978 515 1HH1 ARG 66 HH11 ARG 66 6.848 27.241 20.410 516 2HH1 ARG 66 HH12 ARG 66 5.822 28.628 20.274 517 1HH2 ARG 66 HH21 ARG 66 5.091 27.989 16.917 518 2HH2 ARG 66 HH22 ARG 66 4.806 29.066 18.242 519 H PHE 67 HN PHE 67 6.282 21.842 16.118 520 HA PHE 67 HA PHE 67 6.801 21.604 13.199 521 1HB PHE 67 HB2 PHE 67 6.437 19.614 15.476 522 2HB PHE 67 HB1 PHE 67 6.375 19.092 13.795 523 HD1 PHE 67 HD2 PHE 67 8.378 19.256 12.363 524 HD2 PHE 67 HD1 PHE 67 8.527 20.375 16.469 525 HE1 PHE 67 HE2 PHE 67 10.832 19.225 12.284 526 HE2 PHE 67 HE1 PHE 67 10.982 20.338 16.388 527 HZ PHE 67 HZ PHE 67 12.135 19.762 14.296 528 H SER 68 HN SER 68 5.175 21.435 11.789 529 HA SER 68 HA SER 68 2.500 20.613 12.792 530 1HB SER 68 HB2 SER 68 1.473 22.542 11.463 531 2HB SER 68 HB1 SER 68 2.485 23.113 12.803 532 HG SER 68 HG SER 68 4.250 23.088 11.244 533 H GLY 69 HN GLY 69 1.767 19.051 11.561 534 1HA GLY 69 HA1 GLY 69 2.881 18.729 8.825 535 2HA GLY 69 HA2 GLY 69 2.031 17.485 9.734 536 H SER 70 HN SER 70 1.695 19.042 7.045 537 HA SER 70 HA SER 70 -1.266 19.182 7.298 538 1HB SER 70 HB2 SER 70 -0.799 21.253 5.535 539 2HB SER 70 HB1 SER 70 -0.959 21.512 7.282 540 HG SER 70 HG SER 70 1.074 22.014 7.304 541 H GLY 71 HN GLY 71 -2.363 18.480 5.524 542 1HA GLY 71 HA1 GLY 71 -1.344 18.319 2.875 543 2HA GLY 71 HA2 GLY 71 -1.012 16.784 3.671 544 H SER 72 HN SER 72 -2.766 17.243 1.436 545 HA SER 72 HA SER 72 -5.487 16.952 2.556 546 1HB SER 72 HB2 SER 72 -4.393 17.077 -0.300 547 2HB SER 72 HB1 SER 72 -6.118 16.886 0.077 548 HG SER 72 HG SER 72 -5.935 19.025 0.151 549 H GLY 73 HN GLY 73 -4.095 15.175 -0.167 550 1HA GLY 73 HA1 GLY 73 -4.542 12.612 1.280 551 2HA GLY 73 HA2 GLY 73 -5.386 12.857 -0.245 552 H THR 74 HN THR 74 -3.235 14.310 -1.506 553 HA THR 74 HA THR 74 -1.233 12.109 -1.795 554 HB THR 74 HB THR 74 -1.135 12.684 -4.232 555 HG1 THR 74 HG1 THR 74 -1.543 14.866 -4.044 556 1HG2 THR 74 HG23 THR 74 -4.045 12.606 -3.262 557 2HG2 THR 74 HG21 THR 74 -3.496 12.185 -4.880 558 3HG2 THR 74 HG22 THR 74 -3.057 11.171 -3.510 559 H ASP 75 HN ASP 75 -1.330 14.751 -0.291 560 HA ASP 75 HA ASP 75 1.420 15.530 -0.995 561 1HB ASP 75 HB2 ASP 75 -0.365 16.962 -2.316 562 2HB ASP 75 HB1 ASP 75 -0.661 17.732 -0.761 563 H PHE 76 HN PHE 76 2.523 15.828 0.782 564 HA PHE 76 HA PHE 76 1.197 16.911 3.212 565 1HB PHE 76 HB2 PHE 76 3.010 14.447 3.242 566 2HB PHE 76 HB1 PHE 76 2.084 15.092 4.596 567 HD1 PHE 76 HD1 PHE 76 1.892 13.221 1.432 568 HD2 PHE 76 HD2 PHE 76 -0.353 14.758 4.714 569 HE1 PHE 76 HE1 PHE 76 -0.027 11.835 0.773 570 HE2 PHE 76 HE2 PHE 76 -2.268 13.373 4.045 571 HZ PHE 76 HZ PHE 76 -2.103 11.905 2.083 572 H THR 77 HN THR 77 2.531 18.248 4.381 573 HA THR 77 HA THR 77 5.422 18.232 3.655 574 HB THR 77 HB THR 77 3.692 20.764 3.876 575 HG1 THR 77 HG1 THR 77 4.170 18.918 1.941 576 1HG2 THR 77 HG23 THR 77 6.300 20.876 4.278 577 2HG2 THR 77 HG21 THR 77 6.446 20.379 2.597 578 3HG2 THR 77 HG22 THR 77 5.664 21.902 2.998 579 H LEU 78 HN LEU 78 6.841 19.004 5.180 580 HA LEU 78 HA LEU 78 5.730 19.203 7.945 581 1HB LEU 78 HB2 LEU 78 7.390 17.324 7.268 582 2HB LEU 78 HB1 LEU 78 8.604 18.586 7.133 583 HG LEU 78 HG LEU 78 6.986 18.526 9.649 584 1HD1 LEU 78 HD12 LEU 78 9.011 16.440 8.816 585 2HD1 LEU 78 HD13 LEU 78 8.752 16.833 10.513 586 3HD1 LEU 78 HD11 LEU 78 7.426 16.193 9.545 587 1HD2 LEU 78 HD21 LEU 78 9.506 19.597 8.641 588 2HD2 LEU 78 HD22 LEU 78 8.605 20.050 10.084 589 3HD2 LEU 78 HD23 LEU 78 9.747 18.713 10.144 590 H LYS 79 HN LYS 79 5.561 21.293 8.477 591 HA LYS 79 HA LYS 79 7.763 23.123 7.651 592 1HB LYS 79 HB2 LYS 79 4.822 23.525 8.254 593 2HB LYS 79 HB1 LYS 79 5.934 24.890 8.295 594 1HG LYS 79 HG1 LYS 79 6.567 24.538 5.987 595 2HG LYS 79 HG2 LYS 79 5.698 23.008 5.926 596 1HD LYS 79 HD1 LYS 79 3.603 24.044 5.894 597 2HD LYS 79 HD2 LYS 79 4.199 25.504 6.673 598 1HE LYS 79 HE1 LYS 79 5.500 24.958 4.093 599 2HE LYS 79 HE2 LYS 79 3.765 25.212 3.953 600 1HZ LYS 79 HZ1 LYS 79 3.984 27.361 4.398 601 2HZ LYS 79 HZ2 LYS 79 5.023 27.089 5.714 602 H ILE 80 HN ILE 80 8.867 24.281 9.094 603 HA ILE 80 HA ILE 80 8.155 23.962 11.981 604 HB ILE 80 HB ILE 80 10.940 24.230 10.750 605 1HG1 ILE 80 HG11 ILE 80 9.676 21.760 11.981 606 2HG1 ILE 80 HG12 ILE 80 9.778 22.044 10.247 607 1HG2 ILE 80 HG22 ILE 80 10.556 25.061 13.146 608 2HG2 ILE 80 HG23 ILE 80 10.092 23.419 13.577 609 3HG2 ILE 80 HG21 ILE 80 11.731 23.756 13.023 610 1HD1 ILE 80 HD12 ILE 80 12.305 22.382 10.611 611 2HD1 ILE 80 HD13 ILE 80 12.053 21.693 12.210 612 3HD1 ILE 80 HD11 ILE 80 11.706 20.735 10.774 613 H SER 81 HN SER 81 7.965 25.724 13.135 614 HA SER 81 HA SER 81 7.880 28.226 11.835 615 1HB SER 81 HB2 SER 81 8.094 27.576 14.813 616 2HB SER 81 HB1 SER 81 7.669 29.175 14.169 617 HG SER 81 HG SER 81 5.929 28.232 13.090 618 NH1 ARG 82 NH1 ARG 82 13.294 31.185 18.991 619 NH2 ARG 82 NH2 ARG 82 11.170 31.989 19.077 620 H ARG 82 HN ARG 82 10.256 27.101 14.247 621 HA ARG 82 HA ARG 82 12.233 28.903 12.922 622 1HB ARG 82 HB2 ARG 82 13.153 29.135 15.402 623 2HB ARG 82 HB1 ARG 82 11.801 30.136 14.891 624 1HG ARG 82 HG1 ARG 82 10.213 28.764 16.018 625 2HG ARG 82 HG2 ARG 82 11.358 27.437 16.187 626 1HD ARG 82 HD1 ARG 82 10.981 28.792 18.311 627 2HD ARG 82 HD2 ARG 82 12.667 28.670 17.808 628 HE ARG 82 HE ARG 82 11.604 31.014 16.614 629 1HH1 ARG 82 HH11 ARG 82 13.972 30.608 18.537 630 2HH1 ARG 82 HH12 ARG 82 13.547 31.709 19.802 631 1HH2 ARG 82 HH21 ARG 82 10.250 32.016 18.690 632 2HH2 ARG 82 HH22 ARG 82 11.387 32.528 19.889 633 H VAL 83 HN VAL 83 13.493 27.454 11.950 634 HA VAL 83 HA VAL 83 14.133 24.864 13.048 635 HB VAL 83 HB VAL 83 15.404 26.538 10.831 636 1HG1 VAL 83 HG11 VAL 83 15.975 23.741 11.828 637 2HG1 VAL 83 HG12 VAL 83 16.275 24.177 10.149 638 3HG1 VAL 83 HG13 VAL 83 17.121 25.021 11.442 639 1HG2 VAL 83 HG22 VAL 83 12.951 25.243 10.939 640 2HG2 VAL 83 HG23 VAL 83 13.825 25.631 9.459 641 3HG2 VAL 83 HG21 VAL 83 13.989 24.036 10.187 642 H GLU 84 HN GLU 84 15.665 24.281 14.418 643 HA GLU 84 HA GLU 84 17.707 26.318 15.203 644 1HB GLU 84 HB2 GLU 84 16.502 23.935 16.688 645 2HB GLU 84 HB1 GLU 84 17.847 24.879 17.319 646 1HG GLU 84 HG1 GLU 84 16.399 26.942 17.120 647 2HG GLU 84 HG2 GLU 84 15.052 25.892 16.691 648 H ALA 85 HN ALA 85 19.572 24.841 16.426 649 HA ALA 85 HA ALA 85 20.968 23.610 14.199 650 1HB ALA 85 HB3 ALA 85 21.593 23.670 17.193 651 2HB ALA 85 HB1 ALA 85 22.727 23.168 15.944 652 3HB ALA 85 HB2 ALA 85 22.167 24.836 16.005 653 H GLU 86 HN GLU 86 19.427 22.390 17.142 654 HA GLU 86 HA GLU 86 20.196 19.656 16.832 655 1HB GLU 86 HB2 GLU 86 17.692 20.869 18.099 656 2HB GLU 86 HB1 GLU 86 18.251 19.220 18.363 657 1HG GLU 86 HG1 GLU 86 20.246 19.968 19.463 658 2HG GLU 86 HG2 GLU 86 20.015 21.624 18.911 659 H ASP 87 HN ASP 87 17.590 21.537 15.461 660 HA ASP 87 HA ASP 87 15.948 19.443 14.481 661 1HB ASP 87 HB2 ASP 87 16.065 22.251 14.272 662 2HB ASP 87 HB1 ASP 87 16.237 21.699 12.610 663 H LEU 88 HN LEU 88 19.062 20.513 13.488 664 HA LEU 88 HA LEU 88 19.073 19.697 10.766 665 1HB LEU 88 HB2 LEU 88 21.331 19.582 12.824 666 2HB LEU 88 HB1 LEU 88 21.552 19.503 11.081 667 HG LEU 88 HG LEU 88 20.192 21.834 12.473 668 1HD1 LEU 88 HD13 LEU 88 22.567 21.595 13.196 669 2HD1 LEU 88 HD11 LEU 88 23.062 21.578 11.506 670 3HD1 LEU 88 HD12 LEU 88 22.330 23.024 12.195 671 1HD2 LEU 88 HD22 LEU 88 21.283 21.360 9.683 672 2HD2 LEU 88 HD23 LEU 88 19.608 21.665 10.128 673 3HD2 LEU 88 HD21 LEU 88 20.806 22.945 10.279 674 H GLY 89 HN GLY 89 19.516 17.798 9.762 675 1HA GLY 89 HA1 GLY 89 20.596 15.440 10.556 676 2HA GLY 89 HA2 GLY 89 19.019 15.363 11.342 677 H ILE 90 HN ILE 90 18.510 13.544 10.010 678 HA ILE 90 HA ILE 90 17.954 14.280 7.164 679 HB ILE 90 HB ILE 90 18.078 11.440 8.228 680 1HG1 ILE 90 HG11 ILE 90 20.414 13.187 7.380 681 2HG1 ILE 90 HG12 ILE 90 20.182 12.417 8.945 682 1HG2 ILE 90 HG22 ILE 90 17.234 12.083 5.881 683 2HG2 ILE 90 HG23 ILE 90 18.865 12.647 5.532 684 3HG2 ILE 90 HG21 ILE 90 18.578 10.946 5.886 685 1HD1 ILE 90 HD12 ILE 90 20.095 10.188 7.592 686 2HD1 ILE 90 HD13 ILE 90 20.834 11.123 6.295 687 3HD1 ILE 90 HD11 ILE 90 21.666 10.947 7.837 688 OH TYR 91 OH TYR 91 12.776 18.082 12.220 689 H TYR 91 HN TYR 91 15.890 14.732 6.860 690 HA TYR 91 HA TYR 91 13.847 13.604 8.662 691 1HB TYR 91 HB2 TYR 91 14.021 15.817 6.650 692 2HB TYR 91 HB1 TYR 91 12.430 15.091 6.871 693 HD1 TYR 91 HD1 TYR 91 11.335 15.155 9.092 694 HD2 TYR 91 HD2 TYR 91 15.074 17.078 8.451 695 HE1 TYR 91 HE1 TYR 91 11.074 16.371 11.205 696 HE2 TYR 91 HE2 TYR 91 14.811 18.292 10.568 697 HH TYR 91 HH TYR 91 13.419 18.794 12.241 698 H PHE 92 HN PHE 92 12.011 12.474 7.947 699 HA PHE 92 HA PHE 92 12.029 11.365 5.201 700 1HB PHE 92 HB2 PHE 92 12.296 9.729 7.765 701 2HB PHE 92 HB1 PHE 92 11.746 9.018 6.253 702 HD1 PHE 92 HD1 PHE 92 13.295 8.870 4.310 703 HD2 PHE 92 HD2 PHE 92 14.620 10.360 8.069 704 HE1 PHE 92 HE1 PHE 92 15.629 8.511 3.633 705 HE2 PHE 92 HE2 PHE 92 16.947 9.979 7.398 706 HZ PHE 92 HZ PHE 92 17.456 9.066 5.177 707 H CYS 93 HN CYS 93 10.071 10.031 4.808 708 HA CYS 93 HA CYS 93 7.838 10.376 6.691 709 1HB CYS 93 HB2 CYS 93 6.585 11.875 5.447 710 2HB CYS 93 HB1 CYS 93 8.183 12.462 5.080 711 H SER 94 HN SER 94 6.004 9.071 6.132 712 HA SER 94 HA SER 94 6.206 7.393 3.720 713 1HB SER 94 HB2 SER 94 7.717 6.309 5.457 714 2HB SER 94 HB1 SER 94 6.290 6.104 6.492 715 HG SER 94 HG SER 94 6.314 4.295 5.266 716 H GLN 95 HN GLN 95 4.500 5.546 3.934 717 HA GLN 95 HA GLN 95 2.040 6.616 5.245 718 1HB GLN 95 HB2 GLN 95 0.772 5.987 3.177 719 2HB GLN 95 HB1 GLN 95 2.001 7.193 2.820 720 1HG GLN 95 HG1 GLN 95 2.684 5.754 1.188 721 2HG GLN 95 HG2 GLN 95 3.408 4.832 2.498 722 1HE2 GLN 95 HE22 GLN 95 1.280 2.450 0.652 723 2HE2 GLN 95 HE21 GLN 95 2.702 3.328 0.362 724 H THR 96 HN THR 96 0.664 5.085 6.055 725 HA THR 96 HA THR 96 1.613 2.256 5.825 726 HB THR 96 HB THR 96 0.566 1.974 8.138 727 HG1 THR 96 HG1 THR 96 -0.680 3.560 8.743 728 1HG2 THR 96 HG23 THR 96 3.008 3.059 7.674 729 2HG2 THR 96 HG21 THR 96 2.226 4.510 8.291 730 3HG2 THR 96 HG22 THR 96 2.335 3.072 9.301 731 H THR 97 HN THR 97 -0.374 3.841 4.213 732 HA THR 97 HA THR 97 -2.995 2.755 4.837 733 HB THR 97 HB THR 97 -2.271 3.628 2.021 734 HG1 THR 97 HG1 THR 97 -2.651 5.775 3.454 735 1HG2 THR 97 HG21 THR 97 -4.687 3.286 3.095 736 2HG2 THR 97 HG22 THR 97 -4.343 4.801 3.926 737 3HG2 THR 97 HG23 THR 97 -4.397 4.756 2.167 738 H HIS 98 HN HIS 98 -0.442 1.981 2.522 739 HA HIS 98 HA HIS 98 -1.856 -0.586 1.932 740 1HB HIS 98 HB2 HIS 98 0.222 0.980 0.329 741 2HB HIS 98 HB1 HIS 98 -0.429 -0.582 -0.157 742 HD2 HIS 98 HD2 HIS 98 -1.534 3.162 0.107 743 HE1 HIS 98 HE1 HIS 98 -4.570 1.052 -1.739 744 H VAL 99 HN VAL 99 -0.708 -2.497 1.936 745 HA VAL 99 HA VAL 99 1.940 -2.383 3.325 746 HB VAL 99 HB VAL 99 0.189 -4.834 3.456 747 1HG1 VAL 99 HG13 VAL 99 2.120 -3.374 5.261 748 2HG1 VAL 99 HG11 VAL 99 1.025 -4.588 5.914 749 3HG1 VAL 99 HG12 VAL 99 2.201 -5.036 4.681 750 1HG2 VAL 99 HG21 VAL 99 -0.399 -2.218 4.878 751 2HG2 VAL 99 HG22 VAL 99 -1.493 -3.158 3.867 752 3HG2 VAL 99 HG23 VAL 99 -1.007 -3.770 5.444 753 HA PRO 100 HA PRO 100 3.574 -3.784 3.812 754 1HB PRO 100 HB2 PRO 100 6.073 -3.466 2.413 755 2HB PRO 100 HB1 PRO 100 5.573 -4.843 3.394 756 1HG PRO 100 HG1 PRO 100 5.844 -4.727 0.521 757 2HG PRO 100 HG2 PRO 100 5.353 -6.107 1.503 758 1HD PRO 100 HD1 PRO 100 3.693 -4.423 -0.184 759 2HD PRO 100 HD2 PRO 100 3.220 -5.871 0.722 760 HA PRO 101 HA PRO 101 3.911 0.571 3.624 761 1HB PRO 101 HB2 PRO 101 6.334 0.770 5.206 762 2HB PRO 101 HB1 PRO 101 4.673 0.990 5.758 763 1HG PRO 101 HG1 PRO 101 6.435 -1.229 6.311 764 2HG PRO 101 HG2 PRO 101 4.773 -1.011 6.859 765 1HD PRO 101 HD1 PRO 101 5.752 -2.834 4.835 766 2HD PRO 101 HD2 PRO 101 4.088 -2.637 5.412 767 H THR 102 HN THR 102 4.917 2.136 2.384 768 HA THR 102 HA THR 102 7.032 1.206 0.590 769 HB THR 102 HB THR 102 6.766 3.643 -0.317 770 HG1 THR 102 HG1 THR 102 5.294 4.848 0.735 771 1HG2 THR 102 HG21 THR 102 5.323 1.702 -1.176 772 2HG2 THR 102 HG22 THR 102 4.167 2.063 0.101 773 3HG2 THR 102 HG23 THR 102 4.463 3.238 -1.176 774 H PHE 103 HN PHE 103 6.757 4.085 2.658 775 HA PHE 103 HA PHE 103 8.363 5.280 3.848 776 1HB PHE 103 HB2 PHE 103 8.745 3.103 4.991 777 2HB PHE 103 HB1 PHE 103 9.841 2.604 3.707 778 HD1 PHE 103 HD2 PHE 103 9.362 5.286 6.273 779 HD2 PHE 103 HD1 PHE 103 12.133 3.150 3.844 780 HE1 PHE 103 HE2 PHE 103 11.225 6.427 7.392 781 HE2 PHE 103 HE1 PHE 103 13.994 4.289 4.971 782 HZ PHE 103 HZ PHE 103 13.542 5.929 6.743 783 H GLY 104 HN GLY 104 10.514 6.231 3.700 784 1HA GLY 104 HA1 GLY 104 12.583 5.993 2.037 785 2HA GLY 104 HA2 GLY 104 11.343 6.405 0.855 786 H GLY 105 HN GLY 105 12.843 8.244 0.506 787 1HA GLY 105 HA1 GLY 105 12.489 10.678 0.621 788 2HA GLY 105 HA2 GLY 105 12.120 10.498 2.332 789 H GLY 106 HN GLY 106 13.716 11.984 2.957 790 1HA GLY 106 HA1 GLY 106 16.007 11.512 4.046 791 2HA GLY 106 HA2 GLY 106 16.531 11.136 2.409 792 H THR 107 HN THR 107 14.667 13.770 3.935 793 HA THR 107 HA THR 107 15.914 15.713 2.142 794 HB THR 107 HB THR 107 14.104 16.099 4.605 795 HG1 THR 107 HG1 THR 107 13.558 16.346 1.835 796 1HG2 THR 107 HG22 THR 107 15.557 17.988 2.884 797 2HG2 THR 107 HG23 THR 107 13.823 18.149 2.621 798 3HG2 THR 107 HG21 THR 107 14.491 18.361 4.235 799 H LYS 108 HN LYS 108 17.991 16.101 2.471 800 HA LYS 108 HA LYS 108 19.271 15.942 5.051 801 1HB LYS 108 HB2 LYS 108 20.359 15.606 2.745 802 2HB LYS 108 HB1 LYS 108 20.299 17.352 2.546 803 1HG LYS 108 HG1 LYS 108 22.439 17.061 3.452 804 2HG LYS 108 HG2 LYS 108 21.491 17.385 4.898 805 1HD LYS 108 HD1 LYS 108 21.173 14.829 5.060 806 2HD LYS 108 HD2 LYS 108 22.456 14.708 3.862 807 1HE LYS 108 HE1 LYS 108 23.674 14.606 5.859 808 2HE LYS 108 HE2 LYS 108 23.751 16.325 5.491 809 1HZ LYS 108 HZ1 LYS 108 21.407 15.631 6.975 810 2HZ LYS 108 HZ2 LYS 108 22.834 15.220 7.802 811 H LEU 109 HN LEU 109 18.413 17.349 6.513 812 HA LEU 109 HA LEU 109 18.154 20.201 5.790 813 1HB LEU 109 HB2 LEU 109 16.524 18.840 7.331 814 2HB LEU 109 HB1 LEU 109 17.767 19.011 8.567 815 HG LEU 109 HG LEU 109 17.653 21.578 7.714 816 1HD1 LEU 109 HD11 LEU 109 15.763 20.762 6.112 817 2HD1 LEU 109 HD12 LEU 109 14.759 20.723 7.559 818 3HD1 LEU 109 HD13 LEU 109 15.487 22.237 7.033 819 1HD2 LEU 109 HD23 LEU 109 15.747 20.276 9.692 820 2HD2 LEU 109 HD21 LEU 109 17.380 20.831 10.045 821 3HD2 LEU 109 HD22 LEU 109 16.125 21.994 9.633 822 H GLU 110 HN GLU 110 20.358 20.585 5.403 823 HA GLU 110 HA GLU 110 22.058 20.634 7.858 824 1HB GLU 110 HB2 GLU 110 22.763 19.385 5.654 825 2HB GLU 110 HB1 GLU 110 23.052 20.998 5.011 826 1HG GLU 110 HG1 GLU 110 24.713 21.471 6.668 827 2HG GLU 110 HG2 GLU 110 24.231 20.091 7.652 828 H ILE 111 HN ILE 111 23.070 22.515 8.442 829 HA ILE 111 HA ILE 111 21.757 24.963 7.781 830 HB ILE 111 HB ILE 111 23.002 24.442 9.923 831 1HG1 ILE 111 HG11 ILE 111 24.309 26.897 8.813 832 2HG1 ILE 111 HG12 ILE 111 22.550 26.849 8.831 833 1HG2 ILE 111 HG21 ILE 111 24.992 23.655 8.248 834 2HG2 ILE 111 HG22 ILE 111 25.537 25.292 8.577 835 3HG2 ILE 111 HG23 ILE 111 25.312 24.159 9.904 836 1HD1 ILE 111 HD13 ILE 111 22.714 26.144 11.283 837 2HD1 ILE 111 HD11 ILE 111 24.427 26.544 11.192 838 3HD1 ILE 111 HD12 ILE 111 23.217 27.797 10.937 839 H LYS 112 HN LYS 112 22.720 26.866 6.808 840 HA LYS 112 HA LYS 112 23.707 26.426 4.197 841 1HB LYS 112 HB2 LYS 112 24.020 28.860 6.015 842 2HB LYS 112 HB1 LYS 112 24.295 28.881 4.277 843 1HG LYS 112 HG1 LYS 112 21.908 27.997 4.023 844 2HG LYS 112 HG2 LYS 112 21.696 28.345 5.734 845 1HD LYS 112 HD1 LYS 112 21.199 30.475 5.160 846 2HD LYS 112 HD2 LYS 112 22.879 30.667 4.674 847 1HE LYS 112 HE1 LYS 112 21.643 31.246 2.731 848 2HE LYS 112 HE2 LYS 112 22.165 29.593 2.432 849 1HZ LYS 112 HZ1 LYS 112 19.511 30.394 3.495 850 2HZ LYS 112 HZ2 LYS 112 19.833 29.903 1.901 851 NH1 ARG 113 NH2 ARG 113 27.120 30.284 12.015 852 NH2 ARG 113 NH1 ARG 113 29.038 31.354 11.424 853 H ARG 113 HN ARG 113 25.413 26.778 7.212 854 HA ARG 113 HA ARG 113 28.028 27.113 5.944 855 1HB ARG 113 HB2 ARG 113 27.077 26.634 8.796 856 2HB ARG 113 HB1 ARG 113 28.789 26.665 8.394 857 1HG ARG 113 HG1 ARG 113 28.284 28.937 7.253 858 2HG ARG 113 HG2 ARG 113 26.765 28.897 8.140 859 1HD ARG 113 HD1 ARG 113 28.484 28.276 10.150 860 2HD ARG 113 HD2 ARG 113 29.537 29.279 9.152 861 HE ARG 113 HE ARG 113 27.243 30.788 9.297 862 1HH1 ARG 113 HH21 ARG 113 26.330 29.734 11.744 863 2HH1 ARG 113 HH22 ARG 113 27.237 30.558 12.969 864 1HH2 ARG 113 HH11 ARG 113 29.688 31.609 10.710 865 2HH2 ARG 113 HH12 ARG 113 29.189 31.649 12.366 Start of MODEL 12 Raw file had 865 H/Q atoms Start of MODEL 12 1 1H ASP 1 HT1 ASP 1 1.532 -4.662 1.634 2 2H ASP 1 HT2 ASP 1 1.003 -3.107 2.069 3 3H ASP 1 HT3 ASP 1 0.024 -4.095 1.098 4 HA ASP 1 HA ASP 1 1.131 -3.633 -0.777 5 1HB ASP 1 HB2 ASP 1 2.359 -1.372 0.851 6 2HB ASP 1 HB1 ASP 1 1.841 -1.326 -0.832 7 H VAL 2 HN VAL 2 3.138 -3.176 -1.905 8 HA VAL 2 HA VAL 2 5.141 -4.986 -0.941 9 HB VAL 2 HB VAL 2 5.225 -2.978 -3.243 10 1HG1 VAL 2 HG12 VAL 2 6.962 -5.395 -2.622 11 2HG1 VAL 2 HG13 VAL 2 7.011 -4.493 -4.130 12 3HG1 VAL 2 HG11 VAL 2 7.484 -3.715 -2.625 13 1HG2 VAL 2 HG21 VAL 2 4.094 -5.718 -2.894 14 2HG2 VAL 2 HG22 VAL 2 3.551 -4.407 -3.936 15 3HG2 VAL 2 HG23 VAL 2 4.926 -5.396 -4.409 16 H VAL 3 HN VAL 3 7.124 -4.583 -0.048 17 HA VAL 3 HA VAL 3 7.491 -1.877 1.084 18 HB VAL 3 HB VAL 3 9.384 -4.205 1.529 19 1HG1 VAL 3 HG13 VAL 3 8.273 -1.998 3.301 20 2HG1 VAL 3 HG11 VAL 3 9.441 -3.212 3.813 21 3HG1 VAL 3 HG12 VAL 3 9.880 -2.033 2.582 22 1HG2 VAL 3 HG23 VAL 3 6.542 -3.929 2.526 23 2HG2 VAL 3 HG21 VAL 3 7.330 -5.350 1.848 24 3HG2 VAL 3 HG22 VAL 3 7.750 -4.799 3.466 25 H MET 4 HN MET 4 9.510 -0.755 0.950 26 HA MET 4 HA MET 4 11.355 -1.576 -1.219 27 1HB MET 4 HB2 MET 4 9.407 0.668 -1.311 28 2HB MET 4 HB1 MET 4 11.049 1.139 -1.730 29 1HG MET 4 HG1 MET 4 11.061 -0.926 -3.256 30 2HG MET 4 HG2 MET 4 9.335 -0.983 -3.016 31 1HE MET 4 HE2 MET 4 11.573 -0.621 -5.505 32 2HE MET 4 HE3 MET 4 9.923 -1.168 -5.812 33 3HE MET 4 HE1 MET 4 10.570 0.217 -6.692 34 H THR 5 HN THR 5 13.280 -1.517 -0.273 35 HA THR 5 HA THR 5 13.830 0.549 1.801 36 HB THR 5 HB THR 5 15.683 -1.771 1.052 37 HG1 THR 5 HG1 THR 5 14.296 -2.646 2.934 38 1HG2 THR 5 HG23 THR 5 14.924 -0.370 3.680 39 2HG2 THR 5 HG21 THR 5 16.084 -1.688 3.544 40 3HG2 THR 5 HG22 THR 5 16.440 -0.122 2.820 41 H GLN 6 HN GLN 6 15.131 2.230 1.389 42 HA GLN 6 HA GLN 6 16.623 2.241 -1.190 43 1HB GLN 6 HB2 GLN 6 14.967 4.045 -0.878 44 2HB GLN 6 HB1 GLN 6 15.694 4.483 0.662 45 1HG GLN 6 HG1 GLN 6 17.657 4.412 -1.512 46 2HG GLN 6 HG2 GLN 6 16.363 5.559 -1.824 47 1HE2 GLN 6 HE22 GLN 6 18.122 6.248 1.800 48 2HE2 GLN 6 HE21 GLN 6 17.459 4.726 1.456 49 H THR 7 HN THR 7 18.776 2.638 -1.274 50 HA THR 7 HA THR 7 20.297 3.614 1.014 51 HB THR 7 HB THR 7 21.589 1.093 0.456 52 HG1 THR 7 HG1 THR 7 18.918 0.697 1.252 53 1HG2 THR 7 HG23 THR 7 21.398 2.268 2.733 54 2HG2 THR 7 HG21 THR 7 19.703 1.801 2.776 55 3HG2 THR 7 HG22 THR 7 20.958 0.567 2.806 56 HA PRO 8 HA PRO 8 22.247 3.788 1.600 57 1HB PRO 8 HB2 PRO 8 24.078 5.914 1.226 58 2HB PRO 8 HB1 PRO 8 24.516 4.228 1.504 59 1HG PRO 8 HG1 PRO 8 24.763 5.789 -0.952 60 2HG PRO 8 HG2 PRO 8 25.384 4.173 -0.614 61 1HD PRO 8 HD1 PRO 8 23.070 4.899 -2.208 62 2HD PRO 8 HD2 PRO 8 23.729 3.279 -1.917 63 H LEU 9 HN LEU 9 22.403 6.048 2.805 64 HA LEU 9 HA LEU 9 20.029 7.553 1.922 65 1HB LEU 9 HB2 LEU 9 21.805 8.218 4.309 66 2HB LEU 9 HB1 LEU 9 20.085 8.534 4.123 67 HG LEU 9 HG LEU 9 21.287 5.746 4.283 68 1HD1 LEU 9 HD13 LEU 9 21.545 7.091 6.395 69 2HD1 LEU 9 HD11 LEU 9 19.798 7.308 6.419 70 3HD1 LEU 9 HD12 LEU 9 20.488 5.696 6.582 71 1HD2 LEU 9 HD23 LEU 9 18.506 6.880 4.065 72 2HD2 LEU 9 HD21 LEU 9 19.212 5.504 3.223 73 3HD2 LEU 9 HD22 LEU 9 18.755 5.361 4.917 74 H SER 10 HN SER 10 23.450 8.215 2.591 75 HA SER 10 HA SER 10 23.195 10.656 0.877 76 1HB SER 10 HB2 SER 10 24.798 11.792 2.352 77 2HB SER 10 HB1 SER 10 23.596 11.048 3.424 78 HG SER 10 HG SER 10 25.645 10.419 4.104 79 H LEU 11 HN LEU 11 25.159 11.229 -0.298 80 HA LEU 11 HA LEU 11 27.186 9.071 -0.482 81 1HB LEU 11 HB2 LEU 11 25.148 8.811 -2.130 82 2HB LEU 11 HB1 LEU 11 25.892 10.139 -3.007 83 HG LEU 11 HG LEU 11 28.073 8.550 -2.612 84 1HD1 LEU 11 HD12 LEU 11 26.624 6.811 -1.524 85 2HD1 LEU 11 HD13 LEU 11 25.729 6.661 -3.033 86 3HD1 LEU 11 HD11 LEU 11 27.431 6.218 -2.972 87 1HD2 LEU 11 HD22 LEU 11 26.013 8.396 -4.838 88 2HD2 LEU 11 HD23 LEU 11 27.405 9.469 -4.768 89 3HD2 LEU 11 HD21 LEU 11 27.639 7.735 -4.954 90 HA PRO 12 HA PRO 12 29.094 13.222 -0.826 91 1HB PRO 12 HB2 PRO 12 31.370 12.198 0.611 92 2HB PRO 12 HB1 PRO 12 30.131 13.287 1.237 93 1HG PRO 12 HG1 PRO 12 30.537 10.485 1.879 94 2HG PRO 12 HG2 PRO 12 29.349 11.595 2.564 95 1HD PRO 12 HD1 PRO 12 28.893 9.452 0.674 96 2HD PRO 12 HD2 PRO 12 27.695 10.551 1.382 97 H VAL 13 HN VAL 13 30.133 13.540 -2.732 98 HA VAL 13 HA VAL 13 32.367 11.709 -3.457 99 HB VAL 13 HB VAL 13 31.484 11.287 -5.674 100 1HG1 VAL 13 HG12 VAL 13 30.368 10.105 -3.639 101 2HG1 VAL 13 HG13 VAL 13 28.986 11.138 -3.985 102 3HG1 VAL 13 HG11 VAL 13 29.559 10.000 -5.198 103 1HG2 VAL 13 HG23 VAL 13 29.491 13.457 -4.957 104 2HG2 VAL 13 HG21 VAL 13 30.620 13.429 -6.309 105 3HG2 VAL 13 HG22 VAL 13 29.223 12.356 -6.304 106 H SER 14 HN SER 14 33.013 12.545 -5.872 107 HA SER 14 HA SER 14 33.343 15.505 -5.710 108 1HB SER 14 HB2 SER 14 35.447 13.328 -5.917 109 2HB SER 14 HB1 SER 14 35.748 14.886 -6.713 110 HG SER 14 HG SER 14 34.626 14.966 -4.173 111 H LEU 15 HN LEU 15 33.971 16.440 -7.812 112 HA LEU 15 HA LEU 15 32.323 15.351 -9.915 113 1HB LEU 15 HB2 LEU 15 34.424 17.561 -10.038 114 2HB LEU 15 HB1 LEU 15 33.135 17.291 -11.208 115 HG LEU 15 HG LEU 15 32.596 17.772 -8.262 116 1HD1 LEU 15 HD12 LEU 15 33.747 19.735 -9.244 117 2HD1 LEU 15 HD13 LEU 15 32.556 19.776 -10.538 118 3HD1 LEU 15 HD11 LEU 15 32.063 20.088 -8.878 119 1HD2 LEU 15 HD23 LEU 15 30.939 17.697 -10.789 120 2HD2 LEU 15 HD21 LEU 15 30.719 16.758 -9.316 121 3HD2 LEU 15 HD22 LEU 15 30.354 18.480 -9.325 122 H GLY 16 HN GLY 16 33.136 13.338 -10.303 123 1HA GLY 16 HA1 GLY 16 34.526 12.670 -12.477 124 2HA GLY 16 HA2 GLY 16 35.877 13.100 -11.433 125 H ASP 17 HN ASP 17 32.958 11.595 -10.229 126 HA ASP 17 HA ASP 17 34.490 9.057 -9.816 127 1HB ASP 17 HB2 ASP 17 32.715 10.669 -7.945 128 2HB ASP 17 HB1 ASP 17 32.961 8.947 -7.673 129 H GLN 18 HN GLN 18 32.728 7.381 -8.906 130 HA GLN 18 HA GLN 18 30.510 7.392 -10.918 131 1HB GLN 18 HB2 GLN 18 32.163 5.137 -9.700 132 2HB GLN 18 HB1 GLN 18 30.642 4.826 -10.530 133 1HG GLN 18 HG1 GLN 18 31.515 5.329 -12.608 134 2HG GLN 18 HG2 GLN 18 32.602 6.557 -11.967 135 1HE2 GLN 18 HE22 GLN 18 35.258 4.281 -11.341 136 2HE2 GLN 18 HE21 GLN 18 34.636 5.820 -10.985 137 H ALA 19 HN ALA 19 28.465 7.018 -10.206 138 HA ALA 19 HA ALA 19 28.143 6.677 -7.247 139 1HB ALA 19 HB3 ALA 19 26.964 8.532 -9.207 140 2HB ALA 19 HB1 ALA 19 25.732 7.709 -8.259 141 3HB ALA 19 HB2 ALA 19 26.985 8.646 -7.452 142 H SER 20 HN SER 20 26.271 5.514 -6.518 143 HA SER 20 HA SER 20 24.817 3.862 -8.462 144 1HB SER 20 HB2 SER 20 27.025 2.806 -6.688 145 2HB SER 20 HB1 SER 20 25.610 1.772 -6.966 146 HG SER 20 HG SER 20 26.582 3.146 -9.170 147 H ILE 21 HN ILE 21 22.962 4.803 -7.594 148 HA ILE 21 HA ILE 21 22.441 4.589 -4.706 149 HB ILE 21 HB ILE 21 20.561 5.361 -6.985 150 1HG1 ILE 21 HG11 ILE 21 21.702 7.472 -5.248 151 2HG1 ILE 21 HG12 ILE 21 22.864 6.701 -6.320 152 1HG2 ILE 21 HG21 ILE 21 20.512 5.651 -3.955 153 2HG2 ILE 21 HG22 ILE 21 19.512 6.669 -4.985 154 3HG2 ILE 21 HG23 ILE 21 19.287 4.922 -4.987 155 1HD1 ILE 21 HD13 ILE 21 20.187 7.625 -7.369 156 2HD1 ILE 21 HD11 ILE 21 21.534 8.749 -7.227 157 3HD1 ILE 21 HD12 ILE 21 21.674 7.333 -8.262 158 H SER 22 HN SER 22 21.318 3.001 -3.749 159 HA SER 22 HA SER 22 20.274 0.834 -5.507 160 1HB SER 22 HB2 SER 22 22.067 0.367 -3.695 161 2HB SER 22 HB1 SER 22 20.781 0.632 -2.502 162 HG SER 22 HG SER 22 19.522 -0.880 -3.835 163 H CYS 23 HN CYS 23 18.308 -0.034 -5.275 164 HA CYS 23 HA CYS 23 16.413 0.969 -3.239 165 1HB CYS 23 HB2 CYS 23 16.371 1.603 -6.169 166 2HB CYS 23 HB1 CYS 23 14.839 1.149 -5.471 167 NH1 ARG 24 NH2 ARG 24 21.514 -3.910 -2.834 168 NH2 ARG 24 NH1 ARG 24 21.517 -3.871 -0.560 169 H ARG 24 HN ARG 24 16.131 -1.080 -2.455 170 HA ARG 24 HA ARG 24 15.387 -3.219 -4.392 171 1HB ARG 24 HB2 ARG 24 16.242 -3.302 -1.463 172 2HB ARG 24 HB1 ARG 24 15.807 -4.730 -2.398 173 1HG ARG 24 HG1 ARG 24 17.639 -4.412 -3.910 174 2HG ARG 24 HG2 ARG 24 17.952 -2.792 -3.309 175 1HD ARG 24 HD1 ARG 24 18.063 -4.588 -1.077 176 2HD ARG 24 HD2 ARG 24 19.053 -5.267 -2.369 177 HE ARG 24 HE ARG 24 19.422 -2.422 -1.513 178 1HH1 ARG 24 HH21 ARG 24 21.013 -3.784 -3.691 179 2HH1 ARG 24 HH22 ARG 24 22.472 -4.184 -2.852 180 1HH2 ARG 24 HH11 ARG 24 21.021 -3.714 0.292 181 2HH2 ARG 24 HH12 ARG 24 22.477 -4.146 -0.536 182 H SER 25 HN SER 25 13.623 -4.587 -3.995 183 HA SER 25 HA SER 25 11.543 -3.492 -2.148 184 1HB SER 25 HB2 SER 25 9.855 -4.127 -3.975 185 2HB SER 25 HB1 SER 25 10.958 -2.836 -4.482 186 HG SER 25 HG SER 25 11.571 -5.575 -4.831 187 H SER 26 HN SER 26 10.286 -5.020 -1.103 188 HA SER 26 HA SER 26 11.396 -7.564 -0.601 189 1HB SER 26 HB2 SER 26 9.616 -6.416 0.810 190 2HB SER 26 HB1 SER 26 8.418 -6.867 -0.419 191 HG SER 26 HG SER 26 10.216 -8.688 0.817 192 H GLN 27 HN GLN 27 8.276 -7.189 -2.287 193 HA GLN 27 HA GLN 27 8.688 -9.774 -3.596 194 1HB GLN 27 HB2 GLN 27 6.461 -8.331 -2.796 195 2HB GLN 27 HB1 GLN 27 6.471 -8.017 -4.528 196 1HG GLN 27 HG1 GLN 27 5.269 -10.012 -4.474 197 2HG GLN 27 HG2 GLN 27 6.902 -10.638 -4.666 198 1HE2 GLN 27 HE22 GLN 27 6.898 -12.263 -1.548 199 2HE2 GLN 27 HE21 GLN 27 7.699 -11.980 -3.016 200 H SER 28 HN SER 28 8.751 -10.104 -5.853 201 HA SER 28 HA SER 28 10.431 -8.257 -7.278 202 1HB SER 28 HB2 SER 28 9.699 -9.830 -9.277 203 2HB SER 28 HB1 SER 28 10.572 -10.582 -7.929 204 HG SER 28 HG SER 28 7.748 -10.379 -8.231 205 H LEU 29 HN LEU 29 9.940 -6.596 -8.569 206 HA LEU 29 HA LEU 29 7.156 -5.751 -8.778 207 1HB LEU 29 HB2 LEU 29 9.611 -4.567 -10.139 208 2HB LEU 29 HB1 LEU 29 8.090 -3.747 -9.829 209 HG LEU 29 HG LEU 29 9.817 -4.883 -7.612 210 1HD1 LEU 29 HD12 LEU 29 10.866 -3.016 -9.080 211 2HD1 LEU 29 HD13 LEU 29 9.637 -1.967 -8.382 212 3HD1 LEU 29 HD11 LEU 29 10.819 -2.752 -7.340 213 1HD2 LEU 29 HD22 LEU 29 7.405 -3.061 -7.766 214 2HD2 LEU 29 HD23 LEU 29 7.582 -4.555 -6.852 215 3HD2 LEU 29 HD21 LEU 29 8.438 -3.105 -6.342 216 H VAL 30 HN VAL 30 7.928 -8.226 -10.134 217 HA VAL 30 HA VAL 30 7.612 -7.506 -12.999 218 HB VAL 30 HB VAL 30 8.047 -10.213 -11.634 219 1HG1 VAL 30 HG13 VAL 30 7.990 -9.339 -14.537 220 2HG1 VAL 30 HG11 VAL 30 8.747 -10.841 -14.021 221 3HG1 VAL 30 HG12 VAL 30 7.022 -10.594 -13.771 222 1HG2 VAL 30 HG21 VAL 30 9.938 -8.531 -11.438 223 2HG2 VAL 30 HG22 VAL 30 10.366 -10.000 -12.310 224 3HG2 VAL 30 HG23 VAL 30 10.025 -8.517 -13.197 225 H HIS 31 HN HIS 31 5.730 -7.789 -14.066 226 HA HIS 31 HA HIS 31 3.386 -8.607 -12.481 227 1HB HIS 31 HB2 HIS 31 3.722 -6.682 -14.382 228 2HB HIS 31 HB1 HIS 31 3.138 -7.991 -15.403 229 HD2 HIS 31 HD2 HIS 31 1.622 -5.198 -13.543 230 HE1 HIS 31 HE1 HIS 31 -1.138 -8.251 -13.131 231 H SER 32 HN SER 32 1.777 -10.076 -13.416 232 HA SER 32 HA SER 32 2.895 -12.634 -13.973 233 1HB SER 32 HB2 SER 32 0.061 -11.617 -14.542 234 2HB SER 32 HB1 SER 32 0.538 -13.318 -14.363 235 HG SER 32 HG SER 32 -0.146 -12.505 -12.361 236 H ASN 33 HN ASN 33 2.011 -10.045 -16.120 237 HA ASN 33 HA ASN 33 1.860 -11.740 -18.488 238 1HB ASN 33 HB2 ASN 33 2.240 -9.307 -19.574 239 2HB ASN 33 HB1 ASN 33 0.697 -9.733 -18.842 240 1HD2 ASN 33 HD22 ASN 33 3.005 -6.864 -17.154 241 2HD2 ASN 33 HD21 ASN 33 3.507 -7.693 -18.548 242 H GLY 34 HN GLY 34 4.429 -10.459 -16.656 243 1HA GLY 34 HA1 GLY 34 6.697 -11.295 -17.126 244 2HA GLY 34 HA2 GLY 34 6.322 -11.223 -18.842 245 H ASN 35 HN ASN 35 4.991 -8.485 -17.884 246 HA ASN 35 HA ASN 35 7.404 -6.930 -18.586 247 1HB ASN 35 HB2 ASN 35 4.525 -6.028 -18.087 248 2HB ASN 35 HB1 ASN 35 5.802 -5.029 -18.768 249 1HD2 ASN 35 HD22 ASN 35 5.348 -6.268 -22.018 250 2HD2 ASN 35 HD21 ASN 35 6.061 -5.109 -21.004 251 H THR 36 HN THR 36 8.412 -5.473 -17.281 252 HA THR 36 HA THR 36 7.597 -5.519 -14.400 253 HB THR 36 HB THR 36 10.354 -4.706 -15.469 254 HG1 THR 36 HG1 THR 36 9.233 -6.939 -15.966 255 1HG2 THR 36 HG22 THR 36 9.696 -4.444 -12.968 256 2HG2 THR 36 HG23 THR 36 9.482 -6.190 -12.932 257 3HG2 THR 36 HG21 THR 36 11.070 -5.505 -13.252 258 OH TYR 37 OH TYR 37 3.120 -3.786 -17.774 259 H TYR 37 HN TYR 37 7.871 -3.531 -13.177 260 HA TYR 37 HA TYR 37 7.955 -1.075 -14.867 261 1HB TYR 37 HB2 TYR 37 5.862 -1.661 -12.722 262 2HB TYR 37 HB1 TYR 37 5.958 -0.193 -13.693 263 HD1 TYR 37 HD1 TYR 37 5.928 -0.555 -16.302 264 HD2 TYR 37 HD2 TYR 37 4.563 -3.452 -13.503 265 HE1 TYR 37 HE1 TYR 37 4.623 -1.648 -18.068 266 HE2 TYR 37 HE2 TYR 37 3.264 -4.546 -15.269 267 HH TYR 37 HH TYR 37 2.190 -3.676 -17.559 268 H LEU 38 HN LEU 38 9.656 -0.036 -14.130 269 HA LEU 38 HA LEU 38 9.675 0.897 -11.348 270 1HB LEU 38 HB2 LEU 38 10.944 -1.282 -11.262 271 2HB LEU 38 HB1 LEU 38 12.040 -0.671 -12.496 272 HG LEU 38 HG LEU 38 11.786 1.279 -10.361 273 1HD1 LEU 38 HD12 LEU 38 12.532 -1.554 -9.564 274 2HD1 LEU 38 HD13 LEU 38 12.962 -0.131 -8.612 275 3HD1 LEU 38 HD11 LEU 38 11.265 -0.545 -8.865 276 1HD2 LEU 38 HD22 LEU 38 14.037 -0.410 -11.493 277 2HD2 LEU 38 HD23 LEU 38 13.679 1.277 -11.851 278 3HD2 LEU 38 HD21 LEU 38 14.293 0.825 -10.264 279 H ASN 39 HN ASN 39 10.333 2.949 -11.325 280 HA ASN 39 HA ASN 39 11.988 3.906 -13.631 281 1HB ASN 39 HB2 ASN 39 9.645 5.246 -12.206 282 2HB ASN 39 HB1 ASN 39 10.685 6.085 -13.351 283 1HD2 ASN 39 HD22 ASN 39 7.988 5.003 -15.499 284 2HD2 ASN 39 HD21 ASN 39 8.395 6.248 -14.420 285 CH2 TRP 40 CH2 TRP 40 17.863 4.358 -7.739 286 H TRP 40 HN TRP 40 13.023 5.995 -13.230 287 HA TRP 40 HA TRP 40 13.937 6.269 -10.395 288 1HB TRP 40 HB2 TRP 40 15.446 6.206 -13.019 289 2HB TRP 40 HB1 TRP 40 16.100 7.147 -11.688 290 HD1 TRP 40 HD1 TRP 40 15.650 3.557 -12.879 291 HE1 TRP 40 HE1 TRP 40 16.848 2.108 -11.187 292 HE3 TRP 40 HE3 TRP 40 16.427 6.951 -9.343 293 HZ2 TRP 40 HZ2 TRP 40 18.024 2.372 -8.505 294 HZ3 TRP 40 HZ3 TRP 40 17.560 6.410 -7.227 295 HH2 TRP 40 HH2 TRP 40 18.365 4.122 -6.814 296 OH TYR 41 OH TYR 41 8.046 7.482 -11.226 297 H TYR 41 HN TYR 41 14.464 8.398 -9.752 298 HA TYR 41 HA TYR 41 13.590 10.555 -11.630 299 1HB TYR 41 HB2 TYR 41 12.827 10.343 -8.675 300 2HB TYR 41 HB1 TYR 41 12.326 11.617 -9.778 301 HD1 TYR 41 HD2 TYR 41 11.436 10.338 -12.163 302 HD2 TYR 41 HD1 TYR 41 11.045 8.942 -8.166 303 HE1 TYR 41 HE2 TYR 41 9.479 9.011 -12.817 304 HE2 TYR 41 HE1 TYR 41 9.086 7.626 -8.816 305 HH TYR 41 HH TYR 41 7.711 7.038 -10.440 306 H LEU 42 HN LEU 42 14.386 12.636 -11.125 307 HA LEU 42 HA LEU 42 16.509 12.837 -9.076 308 1HB LEU 42 HB2 LEU 42 17.867 12.159 -10.939 309 2HB LEU 42 HB1 LEU 42 16.911 13.081 -12.086 310 HG LEU 42 HG LEU 42 17.723 15.197 -11.023 311 1HD1 LEU 42 HD11 LEU 42 19.028 13.184 -9.218 312 2HD1 LEU 42 HD12 LEU 42 19.891 14.681 -9.556 313 3HD1 LEU 42 HD13 LEU 42 18.297 14.734 -8.811 314 1HD2 LEU 42 HD23 LEU 42 18.919 14.203 -12.966 315 2HD2 LEU 42 HD21 LEU 42 20.023 15.057 -11.890 316 3HD2 LEU 42 HD22 LEU 42 19.944 13.298 -11.856 317 H GLN 43 HN GLN 43 16.048 14.623 -8.008 318 HA GLN 43 HA GLN 43 15.011 16.965 -9.554 319 1HB GLN 43 HB2 GLN 43 13.789 17.504 -7.319 320 2HB GLN 43 HB1 GLN 43 13.141 16.175 -8.272 321 1HG GLN 43 HG1 GLN 43 14.306 14.541 -6.880 322 2HG GLN 43 HG2 GLN 43 15.123 15.825 -5.994 323 1HE2 GLN 43 HE22 GLN 43 11.056 15.619 -5.424 324 2HE2 GLN 43 HE21 GLN 43 11.681 15.456 -6.993 325 H LYS 44 HN LYS 44 15.463 19.039 -8.640 326 HA LYS 44 HA LYS 44 17.968 19.035 -7.008 327 1HB LYS 44 HB2 LYS 44 17.553 20.030 -9.561 328 2HB LYS 44 HB1 LYS 44 17.256 21.463 -8.588 329 1HG LYS 44 HG1 LYS 44 19.434 21.335 -7.576 330 2HG LYS 44 HG2 LYS 44 19.702 19.714 -8.206 331 1HD LYS 44 HD1 LYS 44 19.134 21.221 -10.489 332 2HD LYS 44 HD2 LYS 44 20.120 22.303 -9.513 333 1HE LYS 44 HE1 LYS 44 20.837 19.456 -10.296 334 2HE LYS 44 HE2 LYS 44 21.560 20.923 -10.951 335 1HZ LYS 44 HZ1 LYS 44 22.000 19.613 -8.406 336 2HZ LYS 44 HZ2 LYS 44 23.057 20.557 -9.346 337 H ALA 45 HN ALA 45 17.712 22.007 -6.840 338 HA ALA 45 HA ALA 45 16.000 22.024 -4.442 339 1HB ALA 45 HB2 ALA 45 18.255 23.102 -4.409 340 2HB ALA 45 HB3 ALA 45 17.749 24.200 -5.689 341 3HB ALA 45 HB1 ALA 45 16.994 24.292 -4.100 342 H GLY 46 HN GLY 46 16.310 24.090 -7.344 343 1HA GLY 46 HA1 GLY 46 13.350 24.482 -7.238 344 2HA GLY 46 HA2 GLY 46 14.404 25.886 -7.364 345 H GLN 47 HN GLN 47 14.229 22.698 -8.949 346 HA GLN 47 HA GLN 47 14.178 24.135 -11.568 347 1HB GLN 47 HB2 GLN 47 16.426 22.912 -10.692 348 2HB GLN 47 HB1 GLN 47 15.611 21.498 -11.345 349 1HG GLN 47 HG1 GLN 47 15.249 22.864 -13.485 350 2HG GLN 47 HG2 GLN 47 16.368 24.044 -12.810 351 1HE2 GLN 47 HE22 GLN 47 18.031 21.192 -14.840 352 2HE2 GLN 47 HE21 GLN 47 16.545 21.959 -15.127 353 H SER 48 HN SER 48 13.402 22.780 -13.345 354 HA SER 48 HA SER 48 10.979 21.409 -12.588 355 1HB SER 48 HB2 SER 48 12.366 21.328 -15.314 356 2HB SER 48 HB1 SER 48 10.626 21.189 -14.986 357 HG SER 48 HG SER 48 10.885 23.312 -15.406 358 HA PRO 49 HA PRO 49 12.849 17.474 -11.777 359 1HB PRO 49 HB2 PRO 49 10.233 16.226 -12.036 360 2HB PRO 49 HB1 PRO 49 11.129 16.556 -10.553 361 1HG PRO 49 HG1 PRO 49 8.789 17.921 -11.536 362 2HG PRO 49 HG2 PRO 49 9.695 18.269 -10.064 363 1HD PRO 49 HD1 PRO 49 9.622 19.814 -12.503 364 2HD PRO 49 HD2 PRO 49 10.533 20.165 -11.022 365 H LYS 50 HN LYS 50 13.104 15.424 -12.877 366 HA LYS 50 HA LYS 50 11.878 15.171 -15.550 367 1HB LYS 50 HB2 LYS 50 14.659 16.073 -15.044 368 2HB LYS 50 HB1 LYS 50 14.557 14.715 -16.158 369 1HG LYS 50 HG1 LYS 50 13.129 15.915 -17.652 370 2HG LYS 50 HG2 LYS 50 12.806 17.167 -16.459 371 1HD LYS 50 HD1 LYS 50 15.666 16.717 -17.193 372 2HD LYS 50 HD2 LYS 50 14.647 17.478 -18.409 373 1HE LYS 50 HE1 LYS 50 15.495 19.294 -17.132 374 2HE LYS 50 HE2 LYS 50 13.864 19.052 -16.516 375 1HZ LYS 50 HZ1 LYS 50 16.077 19.147 -14.999 376 2HZ LYS 50 HZ2 LYS 50 14.619 18.408 -14.534 377 H LEU 51 HN LEU 51 12.345 13.150 -16.580 378 HA LEU 51 HA LEU 51 12.828 10.994 -14.576 379 1HB LEU 51 HB2 LEU 51 10.680 10.857 -15.752 380 2HB LEU 51 HB1 LEU 51 11.460 11.083 -17.311 381 HG LEU 51 HG LEU 51 12.665 8.913 -16.992 382 1HD1 LEU 51 HD13 LEU 51 11.513 9.221 -14.319 383 2HD1 LEU 51 HD11 LEU 51 11.128 7.653 -15.019 384 3HD1 LEU 51 HD12 LEU 51 12.807 8.155 -14.857 385 1HD2 LEU 51 HD21 LEU 51 10.259 9.238 -18.006 386 2HD2 LEU 51 HD22 LEU 51 10.835 7.609 -17.676 387 3HD2 LEU 51 HD23 LEU 51 9.729 8.395 -16.556 388 H LEU 52 HN LEU 52 14.525 9.626 -14.791 389 HA LEU 52 HA LEU 52 16.349 10.111 -17.099 390 1HB LEU 52 HB2 LEU 52 16.768 8.884 -14.339 391 2HB LEU 52 HB1 LEU 52 18.014 8.881 -15.582 392 HG LEU 52 HG LEU 52 16.636 11.445 -14.758 393 1HD1 LEU 52 HD13 LEU 52 19.047 10.098 -13.499 394 2HD1 LEU 52 HD11 LEU 52 18.656 11.799 -13.272 395 3HD1 LEU 52 HD12 LEU 52 17.549 10.557 -12.697 396 1HD2 LEU 52 HD22 LEU 52 18.952 10.613 -16.427 397 2HD2 LEU 52 HD23 LEU 52 17.895 12.011 -16.593 398 3HD2 LEU 52 HD21 LEU 52 19.212 12.037 -15.426 399 H ILE 53 HN ILE 53 15.659 7.289 -15.036 400 HA ILE 53 HA ILE 53 15.574 5.653 -17.544 401 HB ILE 53 HB ILE 53 16.513 4.905 -14.745 402 1HG1 ILE 53 HG11 ILE 53 17.982 6.350 -16.338 403 2HG1 ILE 53 HG12 ILE 53 18.701 4.966 -15.523 404 1HG2 ILE 53 HG23 ILE 53 16.078 3.313 -17.288 405 2HG2 ILE 53 HG21 ILE 53 17.269 2.784 -16.106 406 3HG2 ILE 53 HG22 ILE 53 15.573 2.910 -15.649 407 1HD1 ILE 53 HD11 ILE 53 17.459 4.748 -18.265 408 2HD1 ILE 53 HD12 ILE 53 19.155 5.162 -18.035 409 3HD1 ILE 53 HD13 ILE 53 18.540 3.611 -17.475 410 OH TYR 54 OH TYR 54 10.787 4.445 -22.817 411 H TYR 54 HN TYR 54 13.968 4.169 -17.769 412 HA TYR 54 HA TYR 54 12.126 3.696 -15.512 413 1HB TYR 54 HB2 TYR 54 10.152 4.417 -16.733 414 2HB TYR 54 HB1 TYR 54 11.317 5.727 -16.856 415 HD1 TYR 54 HD1 TYR 54 12.602 6.043 -18.987 416 HD2 TYR 54 HD2 TYR 54 9.463 3.190 -18.681 417 HE1 TYR 54 HE1 TYR 54 12.437 5.961 -21.432 418 HE2 TYR 54 HE2 TYR 54 9.303 3.102 -21.125 419 HH TYR 54 HH TYR 54 11.048 3.557 -23.082 420 H LYS 55 HN LYS 55 10.448 2.023 -16.128 421 HA LYS 55 HA LYS 55 10.012 -0.159 -16.871 422 1HB LYS 55 HB2 LYS 55 10.652 1.375 -19.164 423 2HB LYS 55 HB1 LYS 55 11.640 -0.070 -19.320 424 1HG LYS 55 HG1 LYS 55 8.719 -0.289 -18.586 425 2HG LYS 55 HG2 LYS 55 9.204 -0.115 -20.268 426 1HD LYS 55 HD1 LYS 55 10.825 -2.078 -19.829 427 2HD LYS 55 HD2 LYS 55 9.920 -2.340 -18.343 428 1HE LYS 55 HE1 LYS 55 8.673 -3.689 -19.737 429 2HE LYS 55 HE2 LYS 55 7.844 -2.168 -20.045 430 1HZ LYS 55 HZ1 LYS 55 8.457 -3.366 -22.083 431 2HZ LYS 55 HZ2 LYS 55 9.180 -1.831 -21.995 432 H VAL 56 HN VAL 56 12.688 0.739 -15.624 433 HA VAL 56 HA VAL 56 14.436 -0.455 -14.651 434 HB VAL 56 HB VAL 56 12.700 -2.487 -15.379 435 1HG1 VAL 56 HG12 VAL 56 14.247 -2.625 -17.530 436 2HG1 VAL 56 HG13 VAL 56 15.351 -3.451 -16.435 437 3HG1 VAL 56 HG11 VAL 56 13.742 -4.104 -16.718 438 1HG2 VAL 56 HG22 VAL 56 15.477 -2.719 -14.172 439 2HG2 VAL 56 HG23 VAL 56 13.991 -2.363 -13.297 440 3HG2 VAL 56 HG21 VAL 56 14.217 -3.943 -14.041 441 H SER 57 HN SER 57 14.306 0.597 -17.715 442 HA SER 57 HA SER 57 17.184 0.452 -17.995 443 1HB SER 57 HB2 SER 57 15.655 -1.759 -19.060 444 2HB SER 57 HB1 SER 57 16.347 -0.854 -20.418 445 HG SER 57 HG SER 57 17.756 -1.585 -18.063 446 H ASN 58 HN ASN 58 14.342 0.602 -20.145 447 HA ASN 58 HA ASN 58 15.303 2.292 -22.110 448 1HB ASN 58 HB2 ASN 58 12.630 1.886 -20.812 449 2HB ASN 58 HB1 ASN 58 12.801 3.314 -21.824 450 1HD2 ASN 58 HD22 ASN 58 13.809 -0.024 -23.925 451 2HD2 ASN 58 HD21 ASN 58 14.648 0.381 -22.505 452 NH1 ARG 59 NH1 ARG 59 19.777 6.183 -24.033 453 NH2 ARG 59 NH2 ARG 59 21.776 6.955 -23.282 454 H ARG 59 HN ARG 59 16.063 4.298 -22.218 455 HA ARG 59 HA ARG 59 15.875 6.013 -19.795 456 1HB ARG 59 HB2 ARG 59 17.471 6.723 -22.272 457 2HB ARG 59 HB1 ARG 59 17.824 7.106 -20.593 458 1HG ARG 59 HG1 ARG 59 18.077 4.521 -20.299 459 2HG ARG 59 HG2 ARG 59 18.230 4.497 -22.050 460 1HD ARG 59 HD1 ARG 59 20.049 5.778 -20.014 461 2HD ARG 59 HD2 ARG 59 20.471 4.750 -21.381 462 HE ARG 59 HE ARG 59 19.816 7.649 -21.541 463 1HH1 ARG 59 HH11 ARG 59 18.826 5.948 -23.840 464 2HH1 ARG 59 HH12 ARG 59 20.143 6.076 -24.956 465 1HH2 ARG 59 HH21 ARG 59 22.326 7.300 -22.528 466 2HH2 ARG 59 HH22 ARG 59 22.182 6.857 -24.192 467 H PHE 60 HN PHE 60 15.077 8.111 -19.872 468 HA PHE 60 HA PHE 60 12.972 8.559 -21.815 469 1HB PHE 60 HB2 PHE 60 13.087 9.368 -19.348 470 2HB PHE 60 HB1 PHE 60 14.153 10.645 -19.930 471 HD1 PHE 60 HD1 PHE 60 10.732 9.251 -20.150 472 HD2 PHE 60 HD2 PHE 60 13.281 12.478 -21.267 473 HE1 PHE 60 HE1 PHE 60 8.779 10.545 -20.882 474 HE2 PHE 60 HE2 PHE 60 11.323 13.766 -22.000 475 HZ PHE 60 HZ PHE 60 9.071 12.802 -21.807 476 H SER 61 HN SER 61 12.810 10.453 -23.194 477 HA SER 61 HA SER 61 15.020 10.731 -24.946 478 1HB SER 61 HB2 SER 61 12.594 12.534 -24.460 479 2HB SER 61 HB1 SER 61 13.708 12.743 -25.826 480 HG SER 61 HG SER 61 12.721 11.135 -26.740 481 H GLY 62 HN GLY 62 16.870 11.770 -24.704 482 1HA GLY 62 HA1 GLY 62 18.096 13.857 -24.315 483 2HA GLY 62 HA2 GLY 62 16.926 14.265 -23.065 484 H VAL 63 HN VAL 63 17.175 11.291 -22.244 485 HA VAL 63 HA VAL 63 19.152 11.762 -20.172 486 HB VAL 63 HB VAL 63 17.680 9.219 -21.008 487 1HG1 VAL 63 HG12 VAL 63 19.294 9.937 -18.540 488 2HG1 VAL 63 HG13 VAL 63 18.174 8.580 -18.587 489 3HG1 VAL 63 HG11 VAL 63 19.577 8.599 -19.647 490 1HG2 VAL 63 HG21 VAL 63 16.237 11.160 -20.335 491 2HG2 VAL 63 HG22 VAL 63 16.115 9.804 -19.223 492 3HG2 VAL 63 HG23 VAL 63 17.081 11.211 -18.795 493 HA PRO 64 HA PRO 64 22.542 10.447 -22.757 494 1HB PRO 64 HB2 PRO 64 24.329 10.702 -20.513 495 2HB PRO 64 HB1 PRO 64 24.106 11.849 -21.833 496 1HG PRO 64 HG1 PRO 64 23.235 12.105 -19.079 497 2HG PRO 64 HG2 PRO 64 23.083 13.286 -20.381 498 1HD PRO 64 HD1 PRO 64 20.999 11.666 -19.212 499 2HD PRO 64 HD2 PRO 64 20.849 12.852 -20.519 500 H ASP 65 HN ASP 65 24.391 8.877 -22.455 501 HA ASP 65 HA ASP 65 23.312 6.358 -21.450 502 1HB ASP 65 HB2 ASP 65 26.170 6.805 -22.390 503 2HB ASP 65 HB1 ASP 65 25.166 5.372 -22.596 504 NH1 ARG 66 NH1 ARG 66 28.247 13.954 -20.227 505 NH2 ARG 66 NH2 ARG 66 27.663 14.579 -18.121 506 H ARG 66 HN ARG 66 25.259 8.843 -20.139 507 HA ARG 66 HA ARG 66 26.973 7.416 -18.405 508 1HB ARG 66 HB2 ARG 66 25.448 9.993 -17.788 509 2HB ARG 66 HB1 ARG 66 26.945 9.471 -17.027 510 1HG ARG 66 HG1 ARG 66 27.917 9.429 -19.437 511 2HG ARG 66 HG2 ARG 66 26.511 10.391 -19.873 512 1HD ARG 66 HD1 ARG 66 27.920 11.321 -17.444 513 2HD ARG 66 HD2 ARG 66 28.859 11.445 -18.929 514 HE ARG 66 HE ARG 66 26.104 12.501 -19.053 515 1HH1 ARG 66 HH11 ARG 66 28.222 13.268 -20.952 516 2HH1 ARG 66 HH12 ARG 66 28.710 14.826 -20.379 517 1HH2 ARG 66 HH21 ARG 66 27.201 14.364 -17.261 518 2HH2 ARG 66 HH22 ARG 66 28.120 15.461 -18.233 519 H PHE 67 HN PHE 67 23.554 7.946 -18.290 520 HA PHE 67 HA PHE 67 23.376 6.865 -15.530 521 1HB PHE 67 HB2 PHE 67 21.436 8.206 -17.452 522 2HB PHE 67 HB1 PHE 67 20.845 7.364 -16.022 523 HD1 PHE 67 HD2 PHE 67 23.019 10.147 -17.173 524 HD2 PHE 67 HD1 PHE 67 21.112 8.314 -13.835 525 HE1 PHE 67 HE2 PHE 67 23.586 12.090 -15.778 526 HE2 PHE 67 HE1 PHE 67 21.680 10.256 -12.446 527 HZ PHE 67 HZ PHE 67 22.916 12.147 -13.416 528 H SER 68 HN SER 68 23.165 4.747 -15.285 529 HA SER 68 HA SER 68 21.665 3.239 -17.384 530 1HB SER 68 HB2 SER 68 23.314 1.303 -16.802 531 2HB SER 68 HB1 SER 68 24.016 2.658 -17.705 532 HG SER 68 HG SER 68 24.485 3.588 -15.587 533 H GLY 69 HN GLY 69 19.806 3.224 -16.165 534 1HA GLY 69 HA1 GLY 69 19.877 2.081 -13.440 535 2HA GLY 69 HA2 GLY 69 18.450 2.722 -14.255 536 H SER 70 HN SER 70 19.562 -0.017 -13.038 537 HA SER 70 HA SER 70 17.837 -1.662 -14.740 538 1HB SER 70 HB2 SER 70 20.244 -1.506 -15.843 539 2HB SER 70 HB1 SER 70 20.723 -2.604 -14.533 540 HG SER 70 HG SER 70 19.924 -3.773 -16.332 541 H GLY 71 HN GLY 71 18.171 -4.087 -14.036 542 1HA GLY 71 HA1 GLY 71 19.203 -4.835 -11.542 543 2HA GLY 71 HA2 GLY 71 17.618 -4.153 -11.194 544 H SER 72 HN SER 72 17.650 -6.585 -10.443 545 HA SER 72 HA SER 72 16.938 -8.412 -12.664 546 1HB SER 72 HB2 SER 72 16.773 -10.089 -10.678 547 2HB SER 72 HB1 SER 72 18.380 -9.380 -10.934 548 HG SER 72 HG SER 72 18.150 -8.625 -8.982 549 H GLY 73 HN GLY 73 15.454 -8.434 -9.472 550 1HA GLY 73 HA1 GLY 73 12.833 -7.683 -10.672 551 2HA GLY 73 HA2 GLY 73 12.958 -9.233 -9.847 552 H THR 74 HN THR 74 14.769 -8.293 -7.804 553 HA THR 74 HA THR 74 12.965 -6.444 -6.299 554 HB THR 74 HB THR 74 13.583 -7.763 -4.226 555 HG1 THR 74 HG1 THR 74 14.656 -9.710 -5.907 556 1HG2 THR 74 HG21 THR 74 12.640 -9.481 -6.589 557 2HG2 THR 74 HG22 THR 74 12.548 -9.987 -4.905 558 3HG2 THR 74 HG23 THR 74 11.587 -8.624 -5.470 559 H ASP 75 HN ASP 75 15.760 -6.543 -7.748 560 HA ASP 75 HA ASP 75 17.011 -4.709 -5.769 561 1HB ASP 75 HB2 ASP 75 17.997 -7.311 -6.569 562 2HB ASP 75 HB1 ASP 75 19.105 -6.087 -7.182 563 H PHE 76 HN PHE 76 17.247 -2.818 -6.668 564 HA PHE 76 HA PHE 76 18.108 -2.663 -9.526 565 1HB PHE 76 HB2 PHE 76 16.087 -0.793 -8.201 566 2HB PHE 76 HB1 PHE 76 16.500 -0.864 -9.913 567 HD1 PHE 76 HD2 PHE 76 15.761 -2.801 -11.290 568 HD2 PHE 76 HD1 PHE 76 14.575 -2.419 -7.216 569 HE1 PHE 76 HE2 PHE 76 14.000 -4.474 -11.642 570 HE2 PHE 76 HE1 PHE 76 12.805 -4.084 -7.577 571 HZ PHE 76 HZ PHE 76 12.512 -5.105 -9.793 572 H THR 77 HN THR 77 19.311 -0.775 -10.065 573 HA THR 77 HA THR 77 20.033 1.073 -7.896 574 HB THR 77 HB THR 77 22.008 -0.943 -9.096 575 HG1 THR 77 HG1 THR 77 22.213 -1.371 -6.881 576 1HG2 THR 77 HG21 THR 77 22.536 1.798 -8.249 577 2HG2 THR 77 HG22 THR 77 23.145 0.712 -7.009 578 3HG2 THR 77 HG23 THR 77 23.719 0.568 -8.668 579 H LEU 78 HN LEU 78 20.943 2.966 -8.578 580 HA LEU 78 HA LEU 78 20.822 3.481 -11.502 581 1HB LEU 78 HB2 LEU 78 19.628 4.917 -9.702 582 2HB LEU 78 HB1 LEU 78 21.224 5.473 -9.223 583 HG LEU 78 HG LEU 78 20.845 5.649 -12.123 584 1HD1 LEU 78 HD12 LEU 78 18.861 6.954 -10.254 585 2HD1 LEU 78 HD13 LEU 78 19.276 7.692 -11.797 586 3HD1 LEU 78 HD11 LEU 78 18.546 6.091 -11.756 587 1HD2 LEU 78 HD23 LEU 78 22.522 6.785 -10.426 588 2HD2 LEU 78 HD21 LEU 78 21.944 7.693 -11.824 589 3HD2 LEU 78 HD22 LEU 78 21.223 7.965 -10.237 590 H LYS 79 HN LYS 79 22.775 2.820 -12.326 591 HA LYS 79 HA LYS 79 25.262 3.591 -10.928 592 1HB LYS 79 HB2 LYS 79 24.474 1.712 -13.120 593 2HB LYS 79 HB1 LYS 79 26.098 2.385 -13.233 594 1HG LYS 79 HG1 LYS 79 26.685 1.556 -11.049 595 2HG LYS 79 HG2 LYS 79 25.013 1.137 -10.691 596 1HD LYS 79 HD1 LYS 79 25.068 -0.517 -12.573 597 2HD LYS 79 HD2 LYS 79 26.772 -0.147 -12.809 598 1HE LYS 79 HE1 LYS 79 25.858 -0.882 -10.051 599 2HE LYS 79 HE2 LYS 79 26.009 -2.167 -11.241 600 1HZ LYS 79 HZ1 LYS 79 28.265 -1.759 -11.514 601 2HZ LYS 79 HZ2 LYS 79 28.184 -0.220 -10.798 602 H ILE 80 HN ILE 80 26.300 5.385 -11.344 603 HA ILE 80 HA ILE 80 25.889 6.727 -13.984 604 HB ILE 80 HB ILE 80 26.824 8.003 -11.369 605 1HG1 ILE 80 HG11 ILE 80 24.028 8.079 -12.556 606 2HG1 ILE 80 HG12 ILE 80 24.495 7.056 -11.203 607 1HG2 ILE 80 HG23 ILE 80 27.340 9.161 -13.573 608 2HG2 ILE 80 HG21 ILE 80 25.612 9.204 -13.912 609 3HG2 ILE 80 HG22 ILE 80 26.264 10.106 -12.548 610 1HD1 ILE 80 HD12 ILE 80 25.444 9.641 -10.558 611 2HD1 ILE 80 HD13 ILE 80 23.819 9.876 -11.193 612 3HD1 ILE 80 HD11 ILE 80 24.083 8.801 -9.825 613 H SER 81 HN SER 81 27.556 7.080 -15.238 614 HA SER 81 HA SER 81 30.022 5.807 -14.567 615 1HB SER 81 HB2 SER 81 29.115 7.544 -16.884 616 2HB SER 81 HB1 SER 81 30.797 6.986 -16.767 617 HG SER 81 HG SER 81 30.081 4.884 -16.671 618 NH1 ARG 82 NH1 ARG 82 33.249 14.368 -18.203 619 NH2 ARG 82 NH2 ARG 82 34.441 12.700 -19.201 620 H ARG 82 HN ARG 82 29.685 9.216 -15.568 621 HA ARG 82 HA ARG 82 31.787 9.837 -13.537 622 1HB ARG 82 HB2 ARG 82 32.262 11.823 -15.175 623 2HB ARG 82 HB1 ARG 82 32.806 10.220 -15.653 624 1HG ARG 82 HG1 ARG 82 31.220 10.024 -17.321 625 2HG ARG 82 HG2 ARG 82 30.036 10.998 -16.457 626 1HD ARG 82 HD1 ARG 82 31.125 12.056 -18.554 627 2HD ARG 82 HD2 ARG 82 31.084 13.038 -17.090 628 HE ARG 82 HE ARG 82 33.522 11.647 -16.998 629 1HH1 ARG 82 HH11 ARG 82 32.571 14.645 -17.521 630 2HH1 ARG 82 HH12 ARG 82 33.682 15.054 -18.784 631 1HH2 ARG 82 HH21 ARG 82 34.658 11.727 -19.268 632 2HH2 ARG 82 HH22 ARG 82 34.898 13.356 -19.801 633 H VAL 83 HN VAL 83 30.673 10.618 -11.885 634 HA VAL 83 HA VAL 83 28.296 12.193 -12.050 635 HB VAL 83 HB VAL 83 30.423 12.007 -9.860 636 1HG1 VAL 83 HG12 VAL 83 27.703 13.317 -9.973 637 2HG1 VAL 83 HG13 VAL 83 28.326 12.699 -8.448 638 3HG1 VAL 83 HG11 VAL 83 29.205 13.956 -9.313 639 1HG2 VAL 83 HG22 VAL 83 27.757 10.594 -10.266 640 2HG2 VAL 83 HG23 VAL 83 29.352 9.853 -10.389 641 3HG2 VAL 83 HG21 VAL 83 28.770 10.437 -8.832 642 H GLU 84 HN GLU 84 27.972 14.288 -12.386 643 HA GLU 84 HA GLU 84 30.367 16.081 -12.456 644 1HB GLU 84 HB2 GLU 84 27.774 16.456 -14.017 645 2HB GLU 84 HB1 GLU 84 29.306 17.276 -14.284 646 1HG GLU 84 HG1 GLU 84 30.141 14.720 -14.567 647 2HG GLU 84 HG2 GLU 84 28.467 14.524 -15.076 648 H ALA 85 HN ALA 85 29.294 18.511 -12.532 649 HA ALA 85 HA ALA 85 28.324 18.873 -9.826 650 1HB ALA 85 HB2 ALA 85 29.769 20.477 -11.303 651 2HB ALA 85 HB3 ALA 85 28.240 20.977 -12.019 652 3HB ALA 85 HB1 ALA 85 28.525 21.214 -10.298 653 H GLU 86 HN GLU 86 26.794 18.595 -12.929 654 HA GLU 86 HA GLU 86 24.280 19.808 -12.101 655 1HB GLU 86 HB2 GLU 86 24.946 17.928 -14.419 656 2HB GLU 86 HB1 GLU 86 23.438 18.822 -14.252 657 1HG GLU 86 HG1 GLU 86 24.642 20.953 -14.348 658 2HG GLU 86 HG2 GLU 86 26.188 20.111 -14.379 659 H ASP 87 HN ASP 87 25.624 16.578 -12.115 660 HA ASP 87 HA ASP 87 23.243 15.075 -11.704 661 1HB ASP 87 HB2 ASP 87 26.056 14.609 -10.596 662 2HB ASP 87 HB1 ASP 87 24.794 13.385 -10.671 663 H LEU 88 HN LEU 88 25.204 16.941 -9.496 664 HA LEU 88 HA LEU 88 24.446 15.999 -6.999 665 1HB LEU 88 HB2 LEU 88 24.599 18.927 -7.849 666 2HB LEU 88 HB1 LEU 88 24.765 18.332 -6.202 667 HG LEU 88 HG LEU 88 26.610 17.653 -8.523 668 1HD1 LEU 88 HD13 LEU 88 26.832 19.972 -7.612 669 2HD1 LEU 88 HD11 LEU 88 27.086 19.291 -6.008 670 3HD1 LEU 88 HD12 LEU 88 28.256 18.987 -7.288 671 1HD2 LEU 88 HD23 LEU 88 26.384 16.678 -5.682 672 2HD2 LEU 88 HD21 LEU 88 26.697 15.754 -7.147 673 3HD2 LEU 88 HD22 LEU 88 27.965 16.756 -6.450 674 H GLY 89 HN GLY 89 22.719 16.110 -5.690 675 1HA GLY 89 HA1 GLY 89 20.577 17.722 -5.450 676 2HA GLY 89 HA2 GLY 89 20.147 16.876 -6.933 677 H ILE 90 HN ILE 90 18.352 15.894 -5.965 678 HA ILE 90 HA ILE 90 19.035 13.746 -3.993 679 HB ILE 90 HB ILE 90 16.281 15.007 -4.294 680 1HG1 ILE 90 HG11 ILE 90 17.194 16.193 -2.048 681 2HG1 ILE 90 HG12 ILE 90 18.707 16.103 -2.942 682 1HG2 ILE 90 HG22 ILE 90 16.608 12.832 -3.029 683 2HG2 ILE 90 HG23 ILE 90 17.719 13.666 -1.948 684 3HG2 ILE 90 HG21 ILE 90 16.022 14.130 -1.993 685 1HD1 ILE 90 HD13 ILE 90 17.121 17.002 -4.925 686 2HD1 ILE 90 HD11 ILE 90 16.227 17.654 -3.556 687 3HD1 ILE 90 HD12 ILE 90 17.913 18.099 -3.799 688 OH TYR 91 OH TYR 91 21.831 11.986 -10.958 689 H TYR 91 HN TYR 91 18.813 11.784 -4.803 690 HA TYR 91 HA TYR 91 17.212 11.410 -7.271 691 1HB TYR 91 HB2 TYR 91 19.328 9.828 -5.792 692 2HB TYR 91 HB1 TYR 91 18.286 8.995 -6.944 693 HD1 TYR 91 HD1 TYR 91 20.824 11.653 -6.563 694 HD2 TYR 91 HD2 TYR 91 18.451 9.457 -9.327 695 HE1 TYR 91 HE1 TYR 91 22.168 12.529 -8.417 696 HE2 TYR 91 HE2 TYR 91 19.795 10.333 -11.181 697 HH TYR 91 HH TYR 91 22.550 12.503 -10.583 698 H PHE 92 HN PHE 92 15.607 9.817 -7.474 699 HA PHE 92 HA PHE 92 14.618 8.571 -4.962 700 1HB PHE 92 HB2 PHE 92 13.132 10.531 -6.745 701 2HB PHE 92 HB1 PHE 92 12.244 9.351 -5.787 702 HD1 PHE 92 HD2 PHE 92 12.423 9.393 -3.297 703 HD2 PHE 92 HD1 PHE 92 14.234 12.412 -5.693 704 HE1 PHE 92 HE2 PHE 92 12.660 10.824 -1.316 705 HE2 PHE 92 HE1 PHE 92 14.462 13.843 -3.712 706 HZ PHE 92 HZ PHE 92 13.681 13.050 -1.521 707 H CYS 93 HN CYS 93 12.892 6.982 -5.377 708 HA CYS 93 HA CYS 93 12.750 5.950 -8.148 709 1HB CYS 93 HB2 CYS 93 13.622 3.800 -7.603 710 2HB CYS 93 HB1 CYS 93 14.750 4.932 -6.902 711 H SER 94 HN SER 94 10.995 4.504 -8.483 712 HA SER 94 HA SER 94 9.239 3.843 -6.229 713 1HB SER 94 HB2 SER 94 7.332 5.197 -6.954 714 2HB SER 94 HB1 SER 94 8.721 6.298 -6.931 715 HG SER 94 HG SER 94 8.900 5.170 -9.226 716 H GLN 95 HN GLN 95 7.460 2.503 -6.827 717 HA GLN 95 HA GLN 95 7.796 1.221 -9.510 718 1HB GLN 95 HB2 GLN 95 7.093 -0.916 -8.313 719 2HB GLN 95 HB1 GLN 95 8.639 -0.277 -7.772 720 1HG GLN 95 HG1 GLN 95 7.824 -0.226 -5.659 721 2HG GLN 95 HG2 GLN 95 6.669 0.997 -6.170 722 1HE2 GLN 95 HE22 GLN 95 3.947 -1.279 -6.395 723 2HE2 GLN 95 HE21 GLN 95 4.524 0.239 -6.889 724 H THR 96 HN THR 96 5.971 0.530 -10.569 725 HA THR 96 HA THR 96 3.343 1.338 -9.371 726 HB THR 96 HB THR 96 2.669 2.145 -11.634 727 HG1 THR 96 HG1 THR 96 3.689 0.700 -12.919 728 1HG2 THR 96 HG23 THR 96 4.488 3.538 -10.196 729 2HG2 THR 96 HG21 THR 96 5.571 3.038 -11.492 730 3HG2 THR 96 HG22 THR 96 4.149 4.009 -11.859 731 H THR 97 HN THR 97 4.746 -1.267 -9.530 732 HA THR 97 HA THR 97 3.334 -2.855 -11.521 733 HB THR 97 HB THR 97 4.627 -4.065 -9.049 734 HG1 THR 97 HG1 THR 97 6.555 -3.645 -10.601 735 1HG2 THR 97 HG23 THR 97 3.765 -5.231 -11.352 736 2HG2 THR 97 HG21 THR 97 5.318 -4.649 -11.938 737 3HG2 THR 97 HG22 THR 97 5.255 -5.767 -10.583 738 H HIS 98 HN HIS 98 2.876 -2.145 -8.102 739 HA HIS 98 HA HIS 98 0.490 -3.940 -8.103 740 1HB HIS 98 HB2 HIS 98 2.010 -2.621 -5.804 741 2HB HIS 98 HB1 HIS 98 0.651 -3.725 -5.613 742 HD2 HIS 98 HD2 HIS 98 4.386 -3.810 -6.881 743 HE1 HIS 98 HE1 HIS 98 3.115 -7.685 -6.201 744 H VAL 99 HN VAL 99 1.479 -0.651 -7.230 745 HA VAL 99 HA VAL 99 0.259 1.316 -7.077 746 HB VAL 99 HB VAL 99 -0.988 -0.287 -9.090 747 1HG1 VAL 99 HG13 VAL 99 -2.999 1.232 -7.384 748 2HG1 VAL 99 HG11 VAL 99 -3.337 0.525 -8.959 749 3HG1 VAL 99 HG12 VAL 99 -2.945 -0.516 -7.596 750 1HG2 VAL 99 HG23 VAL 99 0.072 1.992 -9.288 751 2HG2 VAL 99 HG21 VAL 99 -1.486 1.867 -10.094 752 3HG2 VAL 99 HG22 VAL 99 -1.365 2.672 -8.537 753 HA PRO 100 HA PRO 100 -1.131 3.005 -6.572 754 1HB PRO 100 HB2 PRO 100 -0.631 4.234 -4.012 755 2HB PRO 100 HB1 PRO 100 -2.044 4.457 -5.042 756 1HG PRO 100 HG1 PRO 100 -1.879 3.008 -2.542 757 2HG PRO 100 HG2 PRO 100 -3.304 3.278 -3.546 758 1HD PRO 100 HD1 PRO 100 -1.799 0.830 -3.218 759 2HD PRO 100 HD2 PRO 100 -3.248 1.093 -4.204 760 HA PRO 101 HA PRO 101 3.232 3.083 -6.442 761 1HB PRO 101 HB2 PRO 101 3.574 5.929 -6.051 762 2HB PRO 101 HB1 PRO 101 3.634 5.044 -7.574 763 1HG PRO 101 HG1 PRO 101 1.544 6.809 -6.621 764 2HG PRO 101 HG2 PRO 101 1.632 5.972 -8.171 765 1HD PRO 101 HD1 PRO 101 -0.086 5.365 -5.938 766 2HD PRO 101 HD2 PRO 101 0.024 4.503 -7.483 767 H THR 102 HN THR 102 4.754 2.735 -4.914 768 HA THR 102 HA THR 102 4.131 3.351 -2.128 769 HB THR 102 HB THR 102 6.527 2.258 -1.836 770 HG1 THR 102 HG1 THR 102 7.410 1.594 -3.689 771 1HG2 THR 102 HG23 THR 102 4.253 0.958 -1.793 772 2HG2 THR 102 HG21 THR 102 4.534 0.626 -3.499 773 3HG2 THR 102 HG22 THR 102 5.654 0.012 -2.286 774 H PHE 103 HN PHE 103 6.911 4.105 -4.218 775 HA PHE 103 HA PHE 103 8.362 5.934 -4.254 776 1HB PHE 103 HB2 PHE 103 6.233 7.234 -4.483 777 2HB PHE 103 HB1 PHE 103 6.078 7.286 -2.730 778 HD1 PHE 103 HD2 PHE 103 8.503 8.165 -5.451 779 HD2 PHE 103 HD1 PHE 103 7.043 9.077 -1.554 780 HE1 PHE 103 HE2 PHE 103 9.948 10.149 -5.370 781 HE2 PHE 103 HE1 PHE 103 8.488 11.060 -1.479 782 HZ PHE 103 HZ PHE 103 9.942 11.597 -3.385 783 H GLY 104 HN GLY 104 9.668 7.379 -2.849 784 1HA GLY 104 HA1 GLY 104 9.939 7.804 -0.263 785 2HA GLY 104 HA2 GLY 104 10.082 6.050 -0.215 786 H GLY 105 HN GLY 105 12.199 6.368 0.663 787 1HA GLY 105 HA1 GLY 105 14.525 6.152 0.327 788 2HA GLY 105 HA2 GLY 105 14.261 6.385 -1.398 789 H GLY 106 HN GLY 106 15.682 7.971 -1.878 790 1HA GLY 106 HA1 GLY 106 15.707 10.474 -2.080 791 2HA GLY 106 HA2 GLY 106 15.429 10.531 -0.342 792 H THR 107 HN THR 107 17.731 9.177 -2.696 793 HA THR 107 HA THR 107 19.868 9.130 -0.701 794 HB THR 107 HB THR 107 20.179 8.900 -3.753 795 HG1 THR 107 HG1 THR 107 19.253 7.131 -1.736 796 1HG2 THR 107 HG21 THR 107 21.743 8.167 -1.277 797 2HG2 THR 107 HG22 THR 107 21.727 6.972 -2.569 798 3HG2 THR 107 HG23 THR 107 22.355 8.589 -2.873 799 H LYS 108 HN LYS 108 20.816 10.935 -0.060 800 HA LYS 108 HA LYS 108 20.702 13.381 -1.629 801 1HB LYS 108 HB2 LYS 108 21.901 12.558 1.030 802 2HB LYS 108 HB1 LYS 108 22.330 14.114 0.329 803 1HG LYS 108 HG1 LYS 108 19.898 14.664 0.146 804 2HG LYS 108 HG2 LYS 108 19.517 13.138 0.937 805 1HD LYS 108 HD1 LYS 108 19.928 14.027 2.976 806 2HD LYS 108 HD2 LYS 108 21.521 14.571 2.466 807 1HE LYS 108 HE1 LYS 108 20.571 16.601 1.499 808 2HE LYS 108 HE2 LYS 108 18.938 16.039 1.844 809 1HZ LYS 108 HZ1 LYS 108 20.592 17.516 3.497 810 2HZ LYS 108 HZ2 LYS 108 19.081 16.840 3.887 811 H LEU 109 HN LEU 109 21.945 13.639 -3.332 812 HA LEU 109 HA LEU 109 24.751 12.616 -3.239 813 1HB LEU 109 HB2 LEU 109 23.000 11.973 -5.116 814 2HB LEU 109 HB1 LEU 109 23.318 13.589 -5.736 815 HG LEU 109 HG LEU 109 25.851 12.428 -5.130 816 1HD1 LEU 109 HD13 LEU 109 24.639 10.238 -5.201 817 2HD1 LEU 109 HD11 LEU 109 24.092 10.622 -6.828 818 3HD1 LEU 109 HD12 LEU 109 25.808 10.398 -6.508 819 1HD2 LEU 109 HD21 LEU 109 25.282 14.087 -6.919 820 2HD2 LEU 109 HD22 LEU 109 26.207 12.723 -7.536 821 3HD2 LEU 109 HD23 LEU 109 24.470 12.807 -7.811 822 H GLU 110 HN GLU 110 25.601 14.352 -2.104 823 HA GLU 110 HA GLU 110 25.655 16.919 -3.642 824 1HB GLU 110 HB2 GLU 110 24.814 16.427 -0.962 825 2HB GLU 110 HB1 GLU 110 26.378 17.224 -0.834 826 1HG GLU 110 HG1 GLU 110 25.572 19.016 -2.362 827 2HG GLU 110 HG2 GLU 110 24.000 18.226 -2.441 828 H ILE 111 HN ILE 111 27.595 17.930 -3.885 829 HA ILE 111 HA ILE 111 29.942 16.293 -3.850 830 HB ILE 111 HB ILE 111 29.449 18.285 -5.368 831 1HG1 ILE 111 HG11 ILE 111 32.114 18.565 -3.966 832 2HG1 ILE 111 HG12 ILE 111 31.747 17.177 -4.985 833 1HG2 ILE 111 HG23 ILE 111 28.922 19.652 -3.158 834 2HG2 ILE 111 HG21 ILE 111 30.656 19.935 -3.142 835 3HG2 ILE 111 HG22 ILE 111 29.689 20.479 -4.509 836 1HD1 ILE 111 HD13 ILE 111 31.580 20.084 -5.859 837 2HD1 ILE 111 HD11 ILE 111 32.878 18.970 -6.280 838 3HD1 ILE 111 HD12 ILE 111 31.245 18.686 -6.877 839 H LYS 112 HN LYS 112 31.820 16.470 -2.628 840 HA LYS 112 HA LYS 112 31.488 16.659 0.159 841 1HB LYS 112 HB2 LYS 112 33.489 15.768 -1.375 842 2HB LYS 112 HB1 LYS 112 34.144 17.377 -1.093 843 1HG LYS 112 HG1 LYS 112 33.368 16.691 1.441 844 2HG LYS 112 HG2 LYS 112 33.814 15.114 0.794 845 1HD LYS 112 HD1 LYS 112 36.030 15.876 0.236 846 2HD LYS 112 HD2 LYS 112 35.598 17.556 0.540 847 1HE LYS 112 HE1 LYS 112 35.265 15.565 2.762 848 2HE LYS 112 HE2 LYS 112 36.885 16.138 2.382 849 1HZ LYS 112 HZ1 LYS 112 36.227 18.369 2.764 850 2HZ LYS 112 HZ2 LYS 112 34.588 17.944 2.896 851 NH1 ARG 113 NH1 ARG 113 29.948 24.096 3.499 852 NH2 ARG 113 NH2 ARG 113 28.860 25.601 2.184 853 H ARG 113 HN ARG 113 31.573 18.257 1.617 854 HA ARG 113 HA ARG 113 32.059 21.020 0.580 855 1HB ARG 113 HB2 ARG 113 30.121 19.832 2.562 856 2HB ARG 113 HB1 ARG 113 30.655 21.487 2.827 857 1HG ARG 113 HG1 ARG 113 29.761 20.692 0.072 858 2HG ARG 113 HG2 ARG 113 28.535 20.977 1.302 859 1HD ARG 113 HD1 ARG 113 30.726 23.003 1.049 860 2HD ARG 113 HD2 ARG 113 29.488 22.978 -0.208 861 HE ARG 113 HE ARG 113 27.823 23.140 1.768 862 1HH1 ARG 113 HH11 ARG 113 30.182 23.144 3.692 863 2HH1 ARG 113 HH12 ARG 113 30.291 24.825 4.088 864 1HH2 ARG 113 HH21 ARG 113 28.280 25.778 1.391 865 2HH2 ARG 113 HH22 ARG 113 29.181 26.359 2.749 Start of MODEL 13 Raw file had 865 H/Q atoms Start of MODEL 13 1 1H ASP 1 HT3 ASP 1 2.819 -3.461 -0.819 2 2H ASP 1 HT1 ASP 1 3.665 -2.418 0.221 3 3H ASP 1 HT2 ASP 1 2.244 -3.181 0.755 4 HA ASP 1 HA ASP 1 1.103 -1.425 0.123 5 1HB ASP 1 HB2 ASP 1 2.247 0.447 -1.147 6 2HB ASP 1 HB1 ASP 1 3.151 -0.046 0.281 7 H VAL 2 HN VAL 2 0.244 -0.264 -1.861 8 HA VAL 2 HA VAL 2 -0.472 -2.373 -3.694 9 HB VAL 2 HB VAL 2 -1.122 0.592 -3.956 10 1HG1 VAL 2 HG12 VAL 2 -2.490 -1.964 -4.866 11 2HG1 VAL 2 HG13 VAL 2 -3.228 -0.369 -4.970 12 3HG1 VAL 2 HG11 VAL 2 -1.772 -0.727 -5.894 13 1HG2 VAL 2 HG23 VAL 2 -2.074 -1.481 -2.023 14 2HG2 VAL 2 HG21 VAL 2 -1.936 0.262 -1.818 15 3HG2 VAL 2 HG22 VAL 2 -3.293 -0.413 -2.712 16 H VAL 3 HN VAL 3 0.011 -2.601 -5.838 17 HA VAL 3 HA VAL 3 2.433 -1.170 -6.767 18 HB VAL 3 HB VAL 3 0.910 -3.479 -8.072 19 1HG1 VAL 3 HG11 VAL 3 3.665 -2.275 -8.446 20 2HG1 VAL 3 HG12 VAL 3 3.258 -3.884 -9.033 21 3HG1 VAL 3 HG13 VAL 3 2.401 -2.477 -9.655 22 1HG2 VAL 3 HG22 VAL 3 3.251 -3.538 -6.135 23 2HG2 VAL 3 HG23 VAL 3 1.625 -4.127 -5.807 24 3HG2 VAL 3 HG21 VAL 3 2.630 -4.937 -7.005 25 H MET 4 HN MET 4 2.532 -0.061 -8.738 26 HA MET 4 HA MET 4 -0.076 0.466 -10.101 27 1HB MET 4 HB2 MET 4 1.725 2.353 -8.666 28 2HB MET 4 HB1 MET 4 1.256 2.896 -10.273 29 1HG MET 4 HG1 MET 4 -0.684 1.923 -8.167 30 2HG MET 4 HG2 MET 4 -0.295 3.605 -8.419 31 1HE MET 4 HE1 MET 4 -2.964 2.777 -8.050 32 2HE MET 4 HE2 MET 4 -2.861 4.397 -8.741 33 3HE MET 4 HE3 MET 4 -3.989 3.221 -9.414 34 H THR 5 HN THR 5 0.300 -0.465 -12.023 35 HA THR 5 HA THR 5 2.915 0.009 -13.366 36 HB THR 5 HB THR 5 0.666 -1.826 -14.348 37 HG1 THR 5 HG1 THR 5 2.620 -2.082 -12.314 38 1HG2 THR 5 HG22 THR 5 3.737 -1.890 -14.476 39 2HG2 THR 5 HG23 THR 5 2.686 -3.142 -15.129 40 3HG2 THR 5 HG21 THR 5 2.682 -1.531 -15.840 41 H GLN 6 HN GLN 6 3.098 1.361 -15.026 42 HA GLN 6 HA GLN 6 0.597 2.474 -16.201 43 1HB GLN 6 HB2 GLN 6 1.932 4.190 -15.148 44 2HB GLN 6 HB1 GLN 6 3.421 3.562 -15.843 45 1HG GLN 6 HG1 GLN 6 1.316 4.316 -17.797 46 2HG GLN 6 HG2 GLN 6 2.035 5.651 -16.909 47 1HE2 GLN 6 HE22 GLN 6 5.172 5.400 -18.541 48 2HE2 GLN 6 HE21 GLN 6 4.300 6.122 -17.278 49 H THR 7 HN THR 7 0.390 2.686 -18.406 50 HA THR 7 HA THR 7 2.500 1.887 -20.260 51 HB THR 7 HB THR 7 0.361 0.116 -21.003 52 HG1 THR 7 HG1 THR 7 1.139 -0.219 -18.299 53 1HG2 THR 7 HG23 THR 7 2.892 -0.533 -19.390 54 2HG2 THR 7 HG21 THR 7 1.984 -1.670 -20.380 55 3HG2 THR 7 HG22 THR 7 2.875 -0.356 -21.141 56 HA PRO 8 HA PRO 8 2.743 1.530 -22.222 57 1HB PRO 8 HB2 PRO 8 3.363 3.188 -24.413 58 2HB PRO 8 HB1 PRO 8 2.454 1.679 -24.521 59 1HG PRO 8 HG1 PRO 8 1.485 4.428 -24.828 60 2HG PRO 8 HG2 PRO 8 0.651 2.920 -25.202 61 1HD PRO 8 HD1 PRO 8 0.258 4.651 -22.907 62 2HD PRO 8 HD2 PRO 8 -0.604 3.151 -23.300 63 H LEU 9 HN LEU 9 5.016 2.377 -22.601 64 HA LEU 9 HA LEU 9 5.598 4.451 -20.642 65 1HB LEU 9 HB2 LEU 9 7.416 3.055 -22.674 66 2HB LEU 9 HB1 LEU 9 7.974 4.003 -21.305 67 HG LEU 9 HG LEU 9 8.109 1.798 -20.497 68 1HD1 LEU 9 HD12 LEU 9 6.621 3.384 -19.101 69 2HD1 LEU 9 HD13 LEU 9 5.263 2.445 -19.712 70 3HD1 LEU 9 HD11 LEU 9 6.509 1.663 -18.748 71 1HD2 LEU 9 HD21 LEU 9 6.633 1.043 -22.575 72 2HD2 LEU 9 HD22 LEU 9 6.768 0.020 -21.149 73 3HD2 LEU 9 HD23 LEU 9 5.346 1.033 -21.373 74 H SER 10 HN SER 10 5.798 4.169 -24.153 75 HA SER 10 HA SER 10 6.028 7.151 -24.302 76 1HB SER 10 HB2 SER 10 7.276 6.598 -26.547 77 2HB SER 10 HB1 SER 10 8.169 6.248 -25.054 78 HG SER 10 HG SER 10 6.426 4.387 -26.306 79 H LEU 11 HN LEU 11 4.806 8.162 -25.914 80 HA LEU 11 HA LEU 11 3.079 6.374 -27.564 81 1HB LEU 11 HB2 LEU 11 1.992 7.276 -25.363 82 2HB LEU 11 HB1 LEU 11 1.973 8.835 -26.174 83 HG LEU 11 HG LEU 11 0.932 7.302 -28.153 84 1HD1 LEU 11 HD11 LEU 11 1.041 5.259 -26.726 85 2HD1 LEU 11 HD12 LEU 11 -0.023 6.038 -25.559 86 3HD1 LEU 11 HD13 LEU 11 -0.614 5.660 -27.174 87 1HD2 LEU 11 HD22 LEU 11 -0.458 8.601 -25.794 88 2HD2 LEU 11 HD23 LEU 11 -0.175 9.289 -27.390 89 3HD2 LEU 11 HD21 LEU 11 -1.341 7.985 -27.187 90 HA PRO 12 HA PRO 12 4.823 9.874 -30.030 91 1HB PRO 12 HB2 PRO 12 5.254 7.968 -32.172 92 2HB PRO 12 HB1 PRO 12 6.484 8.797 -31.218 93 1HG PRO 12 HG1 PRO 12 5.735 6.012 -31.090 94 2HG PRO 12 HG2 PRO 12 6.954 6.843 -30.123 95 1HD PRO 12 HD1 PRO 12 4.335 5.919 -29.284 96 2HD PRO 12 HD2 PRO 12 5.587 6.696 -28.298 97 H VAL 13 HN VAL 13 3.162 10.989 -30.898 98 HA VAL 13 HA VAL 13 1.361 9.585 -32.820 99 HB VAL 13 HB VAL 13 -0.621 10.557 -31.774 100 1HG1 VAL 13 HG12 VAL 13 0.646 8.521 -30.668 101 2HG1 VAL 13 HG13 VAL 13 0.937 9.665 -29.364 102 3HG1 VAL 13 HG11 VAL 13 -0.711 9.264 -29.828 103 1HG2 VAL 13 HG22 VAL 13 1.440 12.102 -30.191 104 2HG2 VAL 13 HG23 VAL 13 0.058 12.720 -31.092 105 3HG2 VAL 13 HG21 VAL 13 -0.190 11.885 -29.559 106 H SER 14 HN SER 14 -0.303 11.421 -33.579 107 HA SER 14 HA SER 14 1.412 13.677 -34.538 108 1HB SER 14 HB2 SER 14 0.529 12.024 -36.293 109 2HB SER 14 HB1 SER 14 -1.111 12.546 -35.859 110 HG SER 14 HG SER 14 -0.744 14.222 -37.065 111 H LEU 15 HN LEU 15 -0.012 15.611 -35.202 112 HA LEU 15 HA LEU 15 -1.616 16.287 -32.828 113 1HB LEU 15 HB2 LEU 15 -0.757 17.886 -35.278 114 2HB LEU 15 HB1 LEU 15 -1.686 18.559 -33.941 115 HG LEU 15 HG LEU 15 0.985 17.165 -33.579 116 1HD1 LEU 15 HD12 LEU 15 1.134 19.272 -34.959 117 2HD1 LEU 15 HD13 LEU 15 0.421 20.144 -33.604 118 3HD1 LEU 15 HD11 LEU 15 1.988 19.365 -33.423 119 1HD2 LEU 15 HD23 LEU 15 -1.016 18.502 -31.820 120 2HD2 LEU 15 HD21 LEU 15 0.071 17.166 -31.460 121 3HD2 LEU 15 HD22 LEU 15 0.677 18.819 -31.461 122 H GLY 16 HN GLY 16 -3.389 14.946 -33.153 123 1HA GLY 16 HA1 GLY 16 -5.769 15.859 -33.959 124 2HA GLY 16 HA2 GLY 16 -5.099 15.439 -35.531 125 H ASP 17 HN ASP 17 -4.478 13.663 -32.577 126 HA ASP 17 HA ASP 17 -6.177 11.427 -33.606 127 1HB ASP 17 HB2 ASP 17 -3.309 11.436 -32.591 128 2HB ASP 17 HB1 ASP 17 -4.283 9.973 -32.478 129 H GLN 18 HN GLN 18 -6.033 9.659 -31.627 130 HA GLN 18 HA GLN 18 -6.946 11.214 -29.236 131 1HB GLN 18 HB2 GLN 18 -7.860 8.536 -30.376 132 2HB GLN 18 HB1 GLN 18 -8.322 9.097 -28.770 133 1HG GLN 18 HG1 GLN 18 -9.748 10.697 -29.596 134 2HG GLN 18 HG2 GLN 18 -8.689 11.079 -30.950 135 1HE2 GLN 18 HE22 GLN 18 -10.040 8.438 -33.021 136 2HE2 GLN 18 HE21 GLN 18 -8.562 9.179 -32.641 137 H ALA 19 HN ALA 19 -6.107 10.726 -27.296 138 HA ALA 19 HA ALA 19 -3.831 8.810 -27.277 139 1HB ALA 19 HB3 ALA 19 -4.043 11.374 -26.322 140 2HB ALA 19 HB1 ALA 19 -4.429 10.466 -24.864 141 3HB ALA 19 HB2 ALA 19 -2.893 10.206 -25.683 142 H SER 20 HN SER 20 -3.484 7.571 -25.241 143 HA SER 20 HA SER 20 -5.812 6.943 -23.605 144 1HB SER 20 HB2 SER 20 -5.801 4.473 -24.374 145 2HB SER 20 HB1 SER 20 -6.423 5.613 -25.585 146 HG SER 20 HG SER 20 -3.861 4.432 -25.394 147 H ILE 21 HN ILE 21 -4.075 7.619 -22.128 148 HA ILE 21 HA ILE 21 -1.788 5.821 -21.766 149 HB ILE 21 HB ILE 21 -2.897 7.926 -19.843 150 1HG1 ILE 21 HG11 ILE 21 -0.683 8.456 -21.816 151 2HG1 ILE 21 HG12 ILE 21 -2.360 8.656 -22.306 152 1HG2 ILE 21 HG22 ILE 21 -0.215 6.533 -20.242 153 2HG2 ILE 21 HG23 ILE 21 -0.339 8.036 -19.334 154 3HG2 ILE 21 HG21 ILE 21 -1.188 6.597 -18.775 155 1HD1 ILE 21 HD11 ILE 21 -1.637 9.858 -19.685 156 2HD1 ILE 21 HD12 ILE 21 -0.928 10.625 -21.102 157 3HD1 ILE 21 HD13 ILE 21 -2.677 10.487 -20.959 158 H SER 22 HN SER 22 -1.607 4.209 -20.239 159 HA SER 22 HA SER 22 -4.121 3.585 -18.749 160 1HB SER 22 HB2 SER 22 -3.201 1.959 -20.590 161 2HB SER 22 HB1 SER 22 -1.962 1.537 -19.392 162 HG SER 22 HG SER 22 -4.748 1.641 -18.817 163 H CYS 23 HN CYS 23 -4.024 2.723 -16.721 164 HA CYS 23 HA CYS 23 -1.510 2.556 -15.219 165 1HB CYS 23 HB2 CYS 23 -3.644 4.662 -14.681 166 2HB CYS 23 HB1 CYS 23 -2.476 4.188 -13.477 167 NH1 ARG 24 NH2 ARG 24 -2.629 -2.994 -18.575 168 NH2 ARG 24 NH1 ARG 24 -3.505 -1.306 -19.819 169 H ARG 24 HN ARG 24 -2.015 0.492 -14.609 170 HA ARG 24 HA ARG 24 -4.642 0.077 -13.242 171 1HB ARG 24 HB2 ARG 24 -2.739 -1.742 -14.747 172 2HB ARG 24 HB1 ARG 24 -3.913 -2.423 -13.626 173 1HG ARG 24 HG1 ARG 24 -5.726 -1.813 -14.934 174 2HG ARG 24 HG2 ARG 24 -4.901 -0.418 -15.622 175 1HD ARG 24 HD1 ARG 24 -3.657 -3.018 -16.280 176 2HD ARG 24 HD2 ARG 24 -5.277 -2.802 -16.938 177 HE ARG 24 HE ARG 24 -3.907 -0.414 -17.508 178 1HH1 ARG 24 HH21 ARG 24 -2.510 -3.422 -17.681 179 2HH1 ARG 24 HH22 ARG 24 -2.216 -3.405 -19.386 180 1HH2 ARG 24 HH11 ARG 24 -4.045 -0.465 -19.858 181 2HH2 ARG 24 HH12 ARG 24 -3.105 -1.683 -20.651 182 H SER 25 HN SER 25 -4.732 -1.098 -11.312 183 HA SER 25 HA SER 25 -2.142 -1.187 -9.811 184 1HB SER 25 HB2 SER 25 -3.602 -0.763 -7.753 185 2HB SER 25 HB1 SER 25 -3.672 0.572 -8.918 186 HG SER 25 HG SER 25 -5.515 -1.528 -8.491 187 H SER 26 HN SER 26 -1.844 -2.908 -8.350 188 HA SER 26 HA SER 26 -2.788 -5.437 -9.230 189 1HB SER 26 HB2 SER 26 -0.745 -4.806 -7.668 190 2HB SER 26 HB1 SER 26 -1.919 -4.998 -6.352 191 HG SER 26 HG SER 26 -2.212 -7.069 -6.882 192 H GLN 27 HN GLN 27 -3.861 -3.491 -6.443 193 HA GLN 27 HA GLN 27 -6.223 -5.297 -6.254 194 1HB GLN 27 HB2 GLN 27 -4.371 -4.590 -4.315 195 2HB GLN 27 HB1 GLN 27 -5.664 -3.435 -4.010 196 1HG GLN 27 HG1 GLN 27 -6.339 -5.285 -2.733 197 2HG GLN 27 HG2 GLN 27 -7.225 -5.525 -4.233 198 1HE2 GLN 27 HE22 GLN 27 -4.515 -8.271 -3.083 199 2HE2 GLN 27 HE21 GLN 27 -4.960 -6.965 -2.095 200 H SER 28 HN SER 28 -8.139 -4.107 -5.184 201 HA SER 28 HA SER 28 -8.938 -1.974 -6.986 202 1HB SER 28 HB2 SER 28 -10.722 -3.418 -6.299 203 2HB SER 28 HB1 SER 28 -10.216 -3.373 -4.600 204 HG SER 28 HG SER 28 -11.709 -1.841 -4.570 205 H LEU 29 HN LEU 29 -9.377 0.151 -6.550 206 HA LEU 29 HA LEU 29 -7.990 1.234 -4.153 207 1HB LEU 29 HB2 LEU 29 -8.982 2.647 -6.663 208 2HB LEU 29 HB1 LEU 29 -7.985 3.372 -5.414 209 HG LEU 29 HG LEU 29 -7.184 0.979 -7.097 210 1HD1 LEU 29 HD11 LEU 29 -7.311 3.255 -8.262 211 2HD1 LEU 29 HD12 LEU 29 -6.055 3.793 -7.153 212 3HD1 LEU 29 HD13 LEU 29 -5.728 2.483 -8.283 213 1HD2 LEU 29 HD22 LEU 29 -5.890 2.504 -4.841 214 2HD2 LEU 29 HD23 LEU 29 -6.012 0.762 -5.066 215 3HD2 LEU 29 HD21 LEU 29 -4.894 1.701 -6.050 216 H VAL 30 HN VAL 30 -10.671 0.053 -4.078 217 HA VAL 30 HA VAL 30 -12.318 2.462 -3.443 218 HB VAL 30 HB VAL 30 -13.103 -0.473 -3.803 219 1HG1 VAL 30 HG13 VAL 30 -14.712 2.027 -3.204 220 2HG1 VAL 30 HG11 VAL 30 -15.445 0.570 -3.869 221 3HG1 VAL 30 HG12 VAL 30 -14.675 0.524 -2.286 222 1HG2 VAL 30 HG23 VAL 30 -12.428 0.661 -5.907 223 2HG2 VAL 30 HG21 VAL 30 -14.158 0.331 -5.892 224 3HG2 VAL 30 HG22 VAL 30 -13.570 1.959 -5.568 225 H HIS 31 HN HIS 31 -12.827 2.928 -1.396 226 HA HIS 31 HA HIS 31 -11.541 1.599 0.788 227 1HB HIS 31 HB2 HIS 31 -12.789 4.016 0.463 228 2HB HIS 31 HB1 HIS 31 -14.046 3.147 1.335 229 HD2 HIS 31 HD2 HIS 31 -10.117 3.580 1.854 230 HE1 HIS 31 HE1 HIS 31 -12.022 3.655 5.526 231 H SER 32 HN SER 32 -12.442 0.354 2.486 232 HA SER 32 HA SER 32 -13.996 -1.847 1.798 233 1HB SER 32 HB2 SER 32 -12.761 -1.466 4.022 234 2HB SER 32 HB1 SER 32 -14.154 -0.498 4.543 235 HG SER 32 HG SER 32 -15.420 -2.398 3.765 236 H ASN 33 HN ASN 33 -15.069 1.359 2.525 237 HA ASN 33 HA ASN 33 -17.782 0.666 1.637 238 1HB ASN 33 HB2 ASN 33 -18.757 1.774 3.749 239 2HB ASN 33 HB1 ASN 33 -18.008 0.203 4.024 240 1HD2 ASN 33 HD22 ASN 33 -16.460 3.501 5.780 241 2HD2 ASN 33 HD21 ASN 33 -17.843 3.581 4.799 242 H GLY 34 HN GLY 34 -15.895 2.226 0.403 243 1HA GLY 34 HA1 GLY 34 -17.155 4.926 0.607 244 2HA GLY 34 HA2 GLY 34 -15.401 4.791 0.559 245 H ASN 35 HN ASN 35 -14.894 5.636 -1.386 246 HA ASN 35 HA ASN 35 -16.111 4.316 -3.779 247 1HB ASN 35 HB2 ASN 35 -15.208 7.199 -3.892 248 2HB ASN 35 HB1 ASN 35 -16.462 6.397 -4.833 249 1HD2 ASN 35 HD22 ASN 35 -17.405 8.164 -1.308 250 2HD2 ASN 35 HD21 ASN 35 -15.813 8.161 -1.894 251 H THR 36 HN THR 36 -14.691 5.191 -5.796 252 HA THR 36 HA THR 36 -12.038 4.064 -5.292 253 HB THR 36 HB THR 36 -12.849 5.384 -7.919 254 HG1 THR 36 HG1 THR 36 -13.910 3.287 -8.265 255 1HG2 THR 36 HG21 THR 36 -10.633 4.095 -7.618 256 2HG2 THR 36 HG22 THR 36 -11.593 2.668 -7.239 257 3HG2 THR 36 HG23 THR 36 -11.691 3.395 -8.839 258 OH TYR 37 OH TYR 37 -13.346 6.779 -0.099 259 H TYR 37 HN TYR 37 -10.127 5.121 -5.179 260 HA TYR 37 HA TYR 37 -10.222 8.106 -5.439 261 1HB TYR 37 HB2 TYR 37 -8.365 6.456 -3.658 262 2HB TYR 37 HB1 TYR 37 -8.546 8.208 -3.648 263 HD1 TYR 37 HD1 TYR 37 -11.129 8.981 -3.372 264 HD2 TYR 37 HD2 TYR 37 -9.529 5.288 -2.014 265 HE1 TYR 37 HE1 TYR 37 -12.976 8.767 -1.774 266 HE2 TYR 37 HE2 TYR 37 -11.376 5.069 -0.422 267 HH TYR 37 HH TYR 37 -13.004 6.366 0.698 268 H LEU 38 HN LEU 38 -9.354 8.537 -7.360 269 HA LEU 38 HA LEU 38 -6.561 7.663 -7.846 270 1HB LEU 38 HB2 LEU 38 -8.167 6.069 -9.011 271 2HB LEU 38 HB1 LEU 38 -8.792 7.434 -9.924 272 HG LEU 38 HG LEU 38 -5.963 7.541 -10.176 273 1HD1 LEU 38 HD13 LEU 38 -7.125 4.761 -10.290 274 2HD1 LEU 38 HD11 LEU 38 -5.805 5.202 -11.368 275 3HD1 LEU 38 HD12 LEU 38 -5.583 5.289 -9.624 276 1HD2 LEU 38 HD23 LEU 38 -8.150 6.614 -12.078 277 2HD2 LEU 38 HD21 LEU 38 -7.598 8.271 -11.863 278 3HD2 LEU 38 HD22 LEU 38 -6.520 7.071 -12.567 279 H ASN 39 HN ASN 39 -5.356 9.163 -8.986 280 HA ASN 39 HA ASN 39 -6.802 11.574 -10.012 281 1HB ASN 39 HB2 ASN 39 -4.301 11.560 -8.254 282 2HB ASN 39 HB1 ASN 39 -5.057 12.998 -8.932 283 1HD2 ASN 39 HD22 ASN 39 -7.594 13.136 -6.489 284 2HD2 ASN 39 HD21 ASN 39 -6.950 13.810 -7.906 285 CH2 TRP 40 CH2 TRP 40 -3.857 7.581 -16.564 286 H TRP 40 HN TRP 40 -5.657 12.792 -11.569 287 HA TRP 40 HA TRP 40 -3.394 11.327 -12.874 288 1HB TRP 40 HB2 TRP 40 -5.824 12.725 -14.055 289 2HB TRP 40 HB1 TRP 40 -4.401 12.398 -15.031 290 HD1 TRP 40 HD1 TRP 40 -7.348 10.618 -13.313 291 HE1 TRP 40 HE1 TRP 40 -7.351 8.269 -14.250 292 HE3 TRP 40 HE3 TRP 40 -3.024 10.736 -15.729 293 HZ2 TRP 40 HZ2 TRP 40 -5.643 6.576 -15.959 294 HZ3 TRP 40 HZ3 TRP 40 -2.176 8.818 -17.014 295 HH2 TRP 40 HH2 TRP 40 -3.489 6.744 -17.135 296 OH TYR 41 OH TYR 41 -2.848 13.278 -7.447 297 H TYR 41 HN TYR 41 -1.774 12.592 -13.790 298 HA TYR 41 HA TYR 41 -1.978 15.544 -13.419 299 1HB TYR 41 HB2 TYR 41 0.470 13.944 -12.551 300 2HB TYR 41 HB1 TYR 41 0.140 15.643 -12.235 301 HD1 TYR 41 HD2 TYR 41 -2.040 16.140 -10.852 302 HD2 TYR 41 HD1 TYR 41 -0.112 12.350 -10.932 303 HE1 TYR 41 HE2 TYR 41 -3.127 15.542 -8.738 304 HE2 TYR 41 HE1 TYR 41 -1.199 11.757 -8.817 305 HH TYR 41 HH TYR 41 -2.614 13.947 -6.799 306 H LEU 42 HN LEU 42 -0.754 16.752 -14.810 307 HA LEU 42 HA LEU 42 0.906 15.274 -16.803 308 1HB LEU 42 HB2 LEU 42 -1.000 15.717 -18.130 309 2HB LEU 42 HB1 LEU 42 -1.421 17.165 -17.233 310 HG LEU 42 HG LEU 42 0.543 18.333 -18.247 311 1HD1 LEU 42 HD12 LEU 42 0.979 15.581 -19.308 312 2HD1 LEU 42 HD13 LEU 42 1.314 16.906 -20.417 313 3HD1 LEU 42 HD11 LEU 42 2.160 16.812 -18.877 314 1HD2 LEU 42 HD21 LEU 42 -1.759 17.247 -19.759 315 2HD2 LEU 42 HD22 LEU 42 -1.221 18.913 -19.575 316 3HD2 LEU 42 HD23 LEU 42 -0.445 17.864 -20.757 317 H GLN 43 HN GLN 43 2.915 16.022 -16.613 318 HA GLN 43 HA GLN 43 3.264 18.941 -16.048 319 1HB GLN 43 HB2 GLN 43 3.862 17.203 -14.191 320 2HB GLN 43 HB1 GLN 43 5.235 16.787 -15.210 321 1HG GLN 43 HG1 GLN 43 6.258 18.860 -14.909 322 2HG GLN 43 HG2 GLN 43 4.732 19.687 -14.610 323 1HE2 GLN 43 HE22 GLN 43 6.559 17.691 -11.523 324 2HE2 GLN 43 HE21 GLN 43 6.951 17.289 -13.124 325 H LYS 44 HN LYS 44 4.665 20.049 -17.263 326 HA LYS 44 HA LYS 44 6.038 18.538 -19.441 327 1HB LYS 44 HB2 LYS 44 4.277 20.398 -19.907 328 2HB LYS 44 HB1 LYS 44 5.498 21.539 -19.358 329 1HG LYS 44 HG1 LYS 44 7.016 20.138 -21.081 330 2HG LYS 44 HG2 LYS 44 5.451 19.833 -21.822 331 1HD LYS 44 HD1 LYS 44 6.426 22.612 -21.088 332 2HD LYS 44 HD2 LYS 44 6.650 21.903 -22.682 333 1HE LYS 44 HE1 LYS 44 4.615 22.831 -23.134 334 2HE LYS 44 HE2 LYS 44 3.978 21.437 -22.271 335 1HZ LYS 44 HZ1 LYS 44 3.832 24.156 -21.564 336 2HZ LYS 44 HZ2 LYS 44 3.139 22.814 -20.781 337 H ALA 45 HN ALA 45 7.256 21.568 -19.521 338 HA ALA 45 HA ALA 45 9.775 20.688 -18.260 339 1HB ALA 45 HB2 ALA 45 9.050 23.208 -19.832 340 2HB ALA 45 HB3 ALA 45 10.680 22.773 -19.328 341 3HB ALA 45 HB1 ALA 45 9.824 21.773 -20.497 342 H GLY 46 HN GLY 46 7.383 23.265 -17.892 343 1HA GLY 46 HA1 GLY 46 7.867 23.513 -15.066 344 2HA GLY 46 HA2 GLY 46 8.678 24.819 -15.926 345 H GLN 47 HN GLN 47 5.510 23.200 -15.775 346 HA GLN 47 HA GLN 47 4.270 25.886 -16.199 347 1HB GLN 47 HB2 GLN 47 3.987 23.617 -17.751 348 2HB GLN 47 HB1 GLN 47 2.613 23.464 -16.671 349 1HG GLN 47 HG1 GLN 47 1.700 24.794 -18.373 350 2HG GLN 47 HG2 GLN 47 2.274 26.036 -17.264 351 1HE2 GLN 47 HE22 GLN 47 5.156 26.810 -19.350 352 2HE2 GLN 47 HE21 GLN 47 4.751 26.615 -17.714 353 H SER 48 HN SER 48 2.236 26.246 -15.148 354 HA SER 48 HA SER 48 2.311 25.349 -12.380 355 1HB SER 48 HB2 SER 48 1.457 27.505 -12.336 356 2HB SER 48 HB1 SER 48 0.807 27.383 -13.979 357 HG SER 48 HG SER 48 -0.953 27.301 -12.657 358 HA PRO 49 HA PRO 49 -1.981 23.398 -13.516 359 1HB PRO 49 HB2 PRO 49 -1.846 22.811 -16.374 360 2HB PRO 49 HB1 PRO 49 -3.058 23.759 -15.514 361 1HG PRO 49 HG1 PRO 49 -0.981 24.743 -17.240 362 2HG PRO 49 HG2 PRO 49 -2.149 25.694 -16.321 363 1HD PRO 49 HD1 PRO 49 0.677 25.395 -15.814 364 2HD PRO 49 HD2 PRO 49 -0.498 26.354 -14.899 365 H LYS 50 HN LYS 50 -1.498 21.490 -12.630 366 HA LYS 50 HA LYS 50 -0.023 19.504 -14.272 367 1HB LYS 50 HB2 LYS 50 1.340 18.868 -12.379 368 2HB LYS 50 HB1 LYS 50 1.415 20.626 -12.468 369 1HG LYS 50 HG1 LYS 50 -0.872 20.137 -10.983 370 2HG LYS 50 HG2 LYS 50 0.252 18.920 -10.402 371 1HD LYS 50 HD1 LYS 50 1.836 20.546 -9.709 372 2HD LYS 50 HD2 LYS 50 1.118 21.799 -10.714 373 1HE LYS 50 HE1 LYS 50 0.348 22.356 -8.557 374 2HE LYS 50 HE2 LYS 50 -1.003 21.454 -9.233 375 1HZ LYS 50 HZ1 LYS 50 -0.038 19.442 -8.153 376 2HZ LYS 50 HZ2 LYS 50 1.065 20.462 -7.355 377 H LEU 51 HN LEU 51 -2.887 19.963 -13.541 378 HA LEU 51 HA LEU 51 -3.417 17.178 -12.646 379 1HB LEU 51 HB2 LEU 51 -3.635 18.473 -10.583 380 2HB LEU 51 HB1 LEU 51 -4.565 19.721 -11.401 381 HG LEU 51 HG LEU 51 -6.311 17.908 -11.906 382 1HD1 LEU 51 HD13 LEU 51 -4.322 16.394 -10.284 383 2HD1 LEU 51 HD11 LEU 51 -6.015 16.115 -9.888 384 3HD1 LEU 51 HD12 LEU 51 -5.432 15.814 -11.520 385 1HD2 LEU 51 HD22 LEU 51 -5.712 18.614 -9.012 386 2HD2 LEU 51 HD23 LEU 51 -6.636 19.596 -10.145 387 3HD2 LEU 51 HD21 LEU 51 -7.264 18.040 -9.613 388 H LEU 52 HN LEU 52 -4.848 16.252 -13.940 389 HA LEU 52 HA LEU 52 -6.589 18.018 -15.612 390 1HB LEU 52 HB2 LEU 52 -5.127 15.449 -16.067 391 2HB LEU 52 HB1 LEU 52 -6.733 15.526 -16.781 392 HG LEU 52 HG LEU 52 -6.178 17.449 -18.088 393 1HD1 LEU 52 HD11 LEU 52 -3.886 17.687 -16.144 394 2HD1 LEU 52 HD12 LEU 52 -3.756 18.420 -17.739 395 3HD1 LEU 52 HD13 LEU 52 -5.044 18.917 -16.646 396 1HD2 LEU 52 HD23 LEU 52 -5.050 15.181 -18.678 397 2HD2 LEU 52 HD21 LEU 52 -4.442 16.631 -19.469 398 3HD2 LEU 52 HD22 LEU 52 -3.565 15.937 -18.110 399 H ILE 53 HN ILE 53 -6.605 14.866 -13.989 400 HA ILE 53 HA ILE 53 -9.500 15.301 -13.365 401 HB ILE 53 HB ILE 53 -8.148 12.651 -14.044 402 1HG1 ILE 53 HG11 ILE 53 -8.686 14.520 -15.903 403 2HG1 ILE 53 HG12 ILE 53 -8.840 12.796 -16.212 404 1HG2 ILE 53 HG22 ILE 53 -11.048 13.437 -13.523 405 2HG2 ILE 53 HG23 ILE 53 -10.551 11.849 -14.099 406 3HG2 ILE 53 HG21 ILE 53 -10.053 12.405 -12.508 407 1HD1 ILE 53 HD12 ILE 53 -11.110 14.540 -15.215 408 2HD1 ILE 53 HD13 ILE 53 -10.857 14.126 -16.907 409 3HD1 ILE 53 HD11 ILE 53 -11.216 12.863 -15.736 410 OH TYR 54 OH TYR 54 -14.251 17.639 -9.677 411 H TYR 54 HN TYR 54 -10.018 14.947 -11.265 412 HA TYR 54 HA TYR 54 -7.853 13.830 -9.524 413 1HB TYR 54 HB2 TYR 54 -8.997 15.188 -7.690 414 2HB TYR 54 HB1 TYR 54 -8.338 16.180 -8.985 415 HD1 TYR 54 HD1 TYR 54 -9.880 17.117 -10.732 416 HD2 TYR 54 HD2 TYR 54 -11.377 15.062 -7.321 417 HE1 TYR 54 HE1 TYR 54 -12.106 18.065 -11.129 418 HE2 TYR 54 HE2 TYR 54 -13.598 16.021 -7.718 419 HH TYR 54 HH TYR 54 -14.567 17.312 -10.524 420 H LYS 55 HN LYS 55 -9.635 12.181 -10.867 421 HA LYS 55 HA LYS 55 -10.517 10.454 -8.805 422 1HB LYS 55 HB2 LYS 55 -12.238 12.496 -8.765 423 2HB LYS 55 HB1 LYS 55 -12.908 11.708 -10.187 424 1HG LYS 55 HG1 LYS 55 -14.085 10.426 -8.727 425 2HG LYS 55 HG2 LYS 55 -12.567 9.591 -8.423 426 1HD LYS 55 HD1 LYS 55 -12.100 10.889 -6.492 427 2HD LYS 55 HD2 LYS 55 -13.289 12.113 -6.924 428 1HE LYS 55 HE1 LYS 55 -14.611 9.561 -6.771 429 2HE LYS 55 HE2 LYS 55 -13.677 9.802 -5.299 430 1HZ LYS 55 HZ1 LYS 55 -15.883 11.415 -6.383 431 2HZ LYS 55 HZ2 LYS 55 -15.639 10.844 -4.801 432 H VAL 56 HN VAL 56 -12.599 9.119 -9.994 433 HA VAL 56 HA VAL 56 -11.230 7.877 -12.240 434 HB VAL 56 HB VAL 56 -14.067 7.423 -11.188 435 1HG1 VAL 56 HG12 VAL 56 -12.163 5.650 -12.761 436 2HG1 VAL 56 HG13 VAL 56 -13.744 5.160 -12.161 437 3HG1 VAL 56 HG11 VAL 56 -13.620 6.407 -13.396 438 1HG2 VAL 56 HG22 VAL 56 -11.365 6.436 -10.274 439 2HG2 VAL 56 HG23 VAL 56 -12.704 7.038 -9.301 440 3HG2 VAL 56 HG21 VAL 56 -12.798 5.441 -10.037 441 H SER 57 HN SER 57 -13.415 10.481 -11.946 442 HA SER 57 HA SER 57 -13.482 10.906 -14.778 443 1HB SER 57 HB2 SER 57 -15.278 8.940 -14.112 444 2HB SER 57 HB1 SER 57 -16.299 10.373 -13.901 445 HG SER 57 HG SER 57 -14.642 9.808 -16.144 446 H ASN 58 HN ASN 58 -12.777 12.885 -13.756 447 HA ASN 58 HA ASN 58 -14.907 14.830 -13.666 448 1HB ASN 58 HB2 ASN 58 -14.258 13.515 -11.196 449 2HB ASN 58 HB1 ASN 58 -13.643 15.160 -11.079 450 1HD2 ASN 58 HD22 ASN 58 -17.663 14.495 -11.219 451 2HD2 ASN 58 HD21 ASN 58 -16.571 13.227 -11.498 452 NH1 ARG 59 NH2 ARG 59 -14.360 19.388 -18.990 453 NH2 ARG 59 NH1 ARG 59 -15.730 17.665 -19.553 454 H ARG 59 HN ARG 59 -13.890 16.263 -14.905 455 HA ARG 59 HA ARG 59 -11.029 16.759 -14.762 456 1HB ARG 59 HB2 ARG 59 -13.392 17.929 -16.222 457 2HB ARG 59 HB1 ARG 59 -11.899 18.857 -16.181 458 1HG ARG 59 HG1 ARG 59 -10.674 17.143 -17.288 459 2HG ARG 59 HG2 ARG 59 -11.936 15.947 -17.000 460 1HD ARG 59 HD1 ARG 59 -12.130 18.385 -18.790 461 2HD ARG 59 HD2 ARG 59 -12.109 16.704 -19.311 462 HE ARG 59 HE ARG 59 -14.275 16.627 -17.738 463 1HH1 ARG 59 HH21 ARG 59 -13.538 19.710 -18.522 464 2HH1 ARG 59 HH22 ARG 59 -14.945 20.036 -19.479 465 1HH2 ARG 59 HH11 ARG 59 -15.941 16.690 -19.511 466 2HH2 ARG 59 HH12 ARG 59 -16.337 18.287 -20.049 467 H PHE 60 HN PHE 60 -9.999 18.644 -14.030 468 HA PHE 60 HA PHE 60 -11.299 19.868 -11.711 469 1HB PHE 60 HB2 PHE 60 -8.766 19.248 -12.018 470 2HB PHE 60 HB1 PHE 60 -8.658 20.754 -12.926 471 HD1 PHE 60 HD2 PHE 60 -9.764 19.371 -9.635 472 HD2 PHE 60 HD1 PHE 60 -8.484 22.819 -11.782 473 HE1 PHE 60 HE2 PHE 60 -9.664 20.643 -7.536 474 HE2 PHE 60 HE1 PHE 60 -8.384 24.086 -9.684 475 HZ PHE 60 HZ PHE 60 -8.974 23.001 -7.558 476 H SER 61 HN SER 61 -11.289 22.239 -11.415 477 HA SER 61 HA SER 61 -12.754 23.529 -13.511 478 1HB SER 61 HB2 SER 61 -12.057 25.642 -11.987 479 2HB SER 61 HB1 SER 61 -13.174 24.425 -11.339 480 HG SER 61 HG SER 61 -11.476 24.637 -9.895 481 H GLY 62 HN GLY 62 -11.495 23.405 -15.373 482 1HA GLY 62 HA1 GLY 62 -10.234 25.450 -16.483 483 2HA GLY 62 HA2 GLY 62 -8.940 24.930 -15.405 484 H VAL 63 HN VAL 63 -9.758 22.105 -15.677 485 HA VAL 63 HA VAL 63 -8.085 21.437 -17.932 486 HB VAL 63 HB VAL 63 -9.982 19.689 -16.287 487 1HG1 VAL 63 HG11 VAL 63 -9.210 18.666 -18.435 488 2HG1 VAL 63 HG12 VAL 63 -7.541 18.953 -17.945 489 3HG1 VAL 63 HG13 VAL 63 -8.548 17.835 -17.032 490 1HG2 VAL 63 HG21 VAL 63 -8.117 21.048 -15.093 491 2HG2 VAL 63 HG22 VAL 63 -8.166 19.314 -14.798 492 3HG2 VAL 63 HG23 VAL 63 -6.992 19.984 -15.927 493 HA PRO 64 HA PRO 64 -11.295 21.964 -20.962 494 1HB PRO 64 HB2 PRO 64 -9.556 20.606 -22.866 495 2HB PRO 64 HB1 PRO 64 -9.965 22.320 -22.793 496 1HG PRO 64 HG1 PRO 64 -7.466 21.096 -22.082 497 2HG PRO 64 HG2 PRO 64 -7.903 22.799 -21.931 498 1HD PRO 64 HD1 PRO 64 -7.589 20.843 -19.816 499 2HD PRO 64 HD2 PRO 64 -7.974 22.567 -19.662 500 H ASP 65 HN ASP 65 -12.768 20.690 -22.005 501 HA ASP 65 HA ASP 65 -13.306 18.111 -20.976 502 1HB ASP 65 HB2 ASP 65 -14.222 19.185 -23.683 503 2HB ASP 65 HB1 ASP 65 -15.081 18.047 -22.650 504 NH1 ARG 66 NH1 ARG 66 -9.442 21.834 -26.973 505 NH2 ARG 66 NH2 ARG 66 -7.203 21.488 -26.753 506 H ARG 66 HN ARG 66 -10.965 19.002 -23.202 507 HA ARG 66 HA ARG 66 -10.971 16.806 -25.020 508 1HB ARG 66 HB2 ARG 66 -9.324 19.046 -24.494 509 2HB ARG 66 HB1 ARG 66 -8.277 17.660 -24.225 510 1HG ARG 66 HG1 ARG 66 -7.979 17.727 -26.480 511 2HG ARG 66 HG2 ARG 66 -9.529 16.898 -26.532 512 1HD ARG 66 HD1 ARG 66 -10.255 18.652 -27.775 513 2HD ARG 66 HD2 ARG 66 -10.246 19.578 -26.278 514 HE ARG 66 HE ARG 66 -7.925 19.500 -28.179 515 1HH1 ARG 66 HH11 ARG 66 -10.339 21.481 -27.232 516 2HH1 ARG 66 HH12 ARG 66 -9.350 22.772 -26.643 517 1HH2 ARG 66 HH21 ARG 66 -6.420 20.873 -26.847 518 2HH2 ARG 66 HH22 ARG 66 -7.066 22.423 -26.429 519 H PHE 67 HN PHE 67 -10.128 16.988 -21.680 520 HA PHE 67 HA PHE 67 -8.748 14.347 -21.865 521 1HB PHE 67 HB2 PHE 67 -8.864 16.423 -19.626 522 2HB PHE 67 HB1 PHE 67 -7.992 14.896 -19.519 523 HD1 PHE 67 HD1 PHE 67 -6.168 14.432 -21.243 524 HD2 PHE 67 HD2 PHE 67 -7.877 18.295 -20.724 525 HE1 PHE 67 HE1 PHE 67 -4.250 15.434 -22.395 526 HE2 PHE 67 HE2 PHE 67 -5.962 19.297 -21.895 527 HZ PHE 67 HZ PHE 67 -4.156 17.863 -22.747 528 H SER 68 HN SER 68 -9.892 12.617 -21.417 529 HA SER 68 HA SER 68 -12.092 12.851 -19.403 530 1HB SER 68 HB2 SER 68 -13.311 11.101 -20.801 531 2HB SER 68 HB1 SER 68 -13.037 12.601 -21.707 532 HG SER 68 HG SER 68 -10.905 10.875 -21.745 533 H GLY 69 HN GLY 69 -11.315 11.859 -17.665 534 1HA GLY 69 HA1 GLY 69 -9.667 9.411 -17.969 535 2HA GLY 69 HA2 GLY 69 -9.890 10.317 -16.475 536 H SER 70 HN SER 70 -10.337 7.414 -17.372 537 HA SER 70 HA SER 70 -12.788 7.044 -15.792 538 1HB SER 70 HB2 SER 70 -13.711 5.518 -17.726 539 2HB SER 70 HB1 SER 70 -13.851 7.271 -17.959 540 HG SER 70 HG SER 70 -12.453 7.137 -19.516 541 H GLY 71 HN GLY 71 -12.975 5.010 -14.907 542 1HA GLY 71 HA1 GLY 71 -11.445 2.727 -15.757 543 2HA GLY 71 HA2 GLY 71 -10.626 3.532 -14.424 544 H SER 72 HN SER 72 -11.452 0.985 -14.044 545 HA SER 72 HA SER 72 -14.073 1.090 -12.657 546 1HB SER 72 HB2 SER 72 -13.641 -1.430 -12.406 547 2HB SER 72 HB1 SER 72 -13.642 -0.883 -14.094 548 HG SER 72 HG SER 72 -11.658 -1.586 -14.138 549 H GLY 73 HN GLY 73 -11.867 -1.178 -11.405 550 1HA GLY 73 HA1 GLY 73 -11.529 0.489 -8.937 551 2HA GLY 73 HA2 GLY 73 -11.794 -1.251 -8.891 552 H THR 74 HN THR 74 -10.037 -1.808 -11.142 553 HA THR 74 HA THR 74 -7.396 -1.096 -9.936 554 HB THR 74 HB THR 74 -6.616 -3.425 -10.400 555 HG1 THR 74 HG1 THR 74 -9.272 -3.905 -11.244 556 1HG2 THR 74 HG23 THR 74 -8.120 -3.041 -8.304 557 2HG2 THR 74 HG21 THR 74 -9.450 -3.663 -9.271 558 3HG2 THR 74 HG22 THR 74 -8.070 -4.694 -8.902 559 H ASP 75 HN ASP 75 -9.175 -0.469 -12.428 560 HA ASP 75 HA ASP 75 -6.847 -0.392 -14.279 561 1HB ASP 75 HB2 ASP 75 -8.499 -2.307 -14.811 562 2HB ASP 75 HB1 ASP 75 -9.678 -1.059 -15.200 563 H PHE 76 HN PHE 76 -6.536 1.516 -15.174 564 HA PHE 76 HA PHE 76 -8.816 3.384 -15.526 565 1HB PHE 76 HB2 PHE 76 -6.219 4.112 -14.085 566 2HB PHE 76 HB1 PHE 76 -7.582 5.194 -14.366 567 HD1 PHE 76 HD1 PHE 76 -9.708 4.858 -13.146 568 HD2 PHE 76 HD2 PHE 76 -6.330 2.381 -12.377 569 HE1 PHE 76 HE1 PHE 76 -10.785 4.020 -11.105 570 HE2 PHE 76 HE2 PHE 76 -7.403 1.558 -10.325 571 HZ PHE 76 HZ PHE 76 -9.631 2.375 -9.689 572 H THR 77 HN THR 77 -8.485 4.933 -17.141 573 HA THR 77 HA THR 77 -5.855 5.006 -18.480 574 HB THR 77 HB THR 77 -8.422 4.088 -19.907 575 HG1 THR 77 HG1 THR 77 -6.860 2.745 -18.510 576 1HG2 THR 77 HG21 THR 77 -6.570 5.566 -21.201 577 2HG2 THR 77 HG22 THR 77 -5.616 4.093 -21.078 578 3HG2 THR 77 HG23 THR 77 -7.148 4.077 -21.940 579 H LEU 78 HN LEU 78 -5.409 6.939 -19.296 580 HA LEU 78 HA LEU 78 -7.503 9.035 -19.204 581 1HB LEU 78 HB2 LEU 78 -5.036 9.164 -18.257 582 2HB LEU 78 HB1 LEU 78 -4.576 9.426 -19.932 583 HG LEU 78 HG LEU 78 -6.829 11.127 -19.269 584 1HD1 LEU 78 HD13 LEU 78 -4.375 11.337 -17.492 585 2HD1 LEU 78 HD11 LEU 78 -5.640 12.556 -17.608 586 3HD1 LEU 78 HD12 LEU 78 -6.011 10.962 -16.958 587 1HD2 LEU 78 HD22 LEU 78 -5.081 11.365 -21.095 588 2HD2 LEU 78 HD23 LEU 78 -5.364 12.826 -20.155 589 3HD2 LEU 78 HD21 LEU 78 -3.940 11.841 -19.842 590 H LYS 79 HN LYS 79 -8.626 9.356 -21.044 591 HA LYS 79 HA LYS 79 -7.191 8.946 -23.639 592 1HB LYS 79 HB2 LYS 79 -10.211 8.961 -23.242 593 2HB LYS 79 HB1 LYS 79 -9.308 8.307 -24.603 594 1HG LYS 79 HG1 LYS 79 -8.286 6.616 -23.046 595 2HG LYS 79 HG2 LYS 79 -9.333 7.220 -21.766 596 1HD LYS 79 HD1 LYS 79 -11.312 6.733 -23.273 597 2HD LYS 79 HD2 LYS 79 -10.198 5.937 -24.379 598 1HE LYS 79 HE1 LYS 79 -9.525 4.369 -22.603 599 2HE LYS 79 HE2 LYS 79 -10.585 5.185 -21.460 600 1HZ LYS 79 HZ1 LYS 79 -12.451 4.351 -22.446 601 2HZ LYS 79 HZ2 LYS 79 -11.720 4.176 -23.970 602 H ILE 80 HN ILE 80 -7.351 10.459 -25.246 603 HA ILE 80 HA ILE 80 -8.698 13.033 -24.526 604 HB ILE 80 HB ILE 80 -6.057 12.597 -26.007 605 1HG1 ILE 80 HG11 ILE 80 -6.444 14.097 -23.414 606 2HG1 ILE 80 HG12 ILE 80 -6.162 12.361 -23.428 607 1HG2 ILE 80 HG22 ILE 80 -7.900 14.936 -25.717 608 2HG2 ILE 80 HG23 ILE 80 -6.207 15.294 -25.389 609 3HG2 ILE 80 HG21 ILE 80 -6.679 14.627 -26.949 610 1HD1 ILE 80 HD11 ILE 80 -4.117 12.832 -24.892 611 2HD1 ILE 80 HD12 ILE 80 -4.345 14.533 -24.512 612 3HD1 ILE 80 HD13 ILE 80 -3.995 13.383 -23.226 613 H SER 81 HN SER 81 -9.774 14.105 -26.091 614 HA SER 81 HA SER 81 -10.688 12.450 -28.252 615 1HB SER 81 HB2 SER 81 -11.079 15.442 -27.734 616 2HB SER 81 HB1 SER 81 -11.993 14.504 -28.934 617 HG SER 81 HG SER 81 -13.190 14.286 -27.133 618 NH1 ARG 82 NH2 ARG 82 -10.857 18.154 -33.411 619 NH2 ARG 82 NH1 ARG 82 -11.261 20.272 -32.694 620 H ARG 82 HN ARG 82 -8.932 15.535 -28.304 621 HA ARG 82 HA ARG 82 -7.655 14.616 -30.837 622 1HB ARG 82 HB2 ARG 82 -7.868 16.926 -31.717 623 2HB ARG 82 HB1 ARG 82 -9.460 16.321 -31.278 624 1HG ARG 82 HG1 ARG 82 -8.910 17.424 -28.941 625 2HG ARG 82 HG2 ARG 82 -7.766 18.370 -29.880 626 1HD ARG 82 HD1 ARG 82 -10.762 18.167 -30.342 627 2HD ARG 82 HD2 ARG 82 -9.869 19.589 -29.804 628 HE ARG 82 HE ARG 82 -8.662 19.268 -32.141 629 1HH1 ARG 82 HH21 ARG 82 -10.308 17.322 -33.350 630 2HH1 ARG 82 HH22 ARG 82 -11.622 18.204 -34.052 631 1HH2 ARG 82 HH11 ARG 82 -11.014 21.033 -32.095 632 2HH2 ARG 82 HH12 ARG 82 -12.035 20.359 -33.319 633 H VAL 83 HN VAL 83 -5.637 14.250 -30.241 634 HA VAL 83 HA VAL 83 -4.320 15.661 -28.099 635 HB VAL 83 HB VAL 83 -3.234 13.882 -30.333 636 1HG1 VAL 83 HG13 VAL 83 -1.951 15.167 -27.919 637 2HG1 VAL 83 HG11 VAL 83 -1.337 13.638 -28.543 638 3HG1 VAL 83 HG12 VAL 83 -1.340 15.070 -29.568 639 1HG2 VAL 83 HG21 VAL 83 -4.923 13.116 -28.398 640 2HG2 VAL 83 HG22 VAL 83 -3.579 12.088 -28.888 641 3HG2 VAL 83 HG23 VAL 83 -3.443 13.089 -27.446 642 H GLU 84 HN GLU 84 -3.975 17.754 -28.310 643 HA GLU 84 HA GLU 84 -3.018 18.858 -30.890 644 1HB GLU 84 HB2 GLU 84 -3.354 20.604 -28.468 645 2HB GLU 84 HB1 GLU 84 -3.828 20.915 -30.131 646 1HG GLU 84 HG1 GLU 84 -5.532 18.889 -29.586 647 2HG GLU 84 HG2 GLU 84 -5.334 19.527 -27.957 648 H ALA 85 HN ALA 85 -1.559 21.028 -29.924 649 HA ALA 85 HA ALA 85 0.996 19.727 -29.403 650 1HB ALA 85 HB2 ALA 85 0.642 21.806 -30.844 651 2HB ALA 85 HB3 ALA 85 0.327 22.706 -29.365 652 3HB ALA 85 HB1 ALA 85 1.911 21.986 -29.636 653 H GLU 86 HN GLU 86 -1.351 21.507 -27.488 654 HA GLU 86 HA GLU 86 0.384 22.016 -25.247 655 1HB GLU 86 HB2 GLU 86 -1.863 22.232 -23.998 656 2HB GLU 86 HB1 GLU 86 -1.662 23.286 -25.390 657 1HG GLU 86 HG1 GLU 86 -2.753 20.780 -26.298 658 2HG GLU 86 HG2 GLU 86 -3.719 21.356 -24.945 659 H ASP 87 HN ASP 87 -1.415 19.207 -26.240 660 HA ASP 87 HA ASP 87 -1.408 17.899 -23.661 661 1HB ASP 87 HB2 ASP 87 -1.470 16.617 -26.434 662 2HB ASP 87 HB1 ASP 87 -2.041 15.892 -24.933 663 H LEU 88 HN LEU 88 0.978 18.318 -26.122 664 HA LEU 88 HA LEU 88 2.598 16.042 -25.712 665 1HB LEU 88 HB2 LEU 88 3.514 18.909 -26.222 666 2HB LEU 88 HB1 LEU 88 4.465 17.464 -26.536 667 HG LEU 88 HG LEU 88 1.808 18.135 -27.856 668 1HD1 LEU 88 HD12 LEU 88 4.656 18.137 -28.921 669 2HD1 LEU 88 HD13 LEU 88 3.212 18.411 -29.890 670 3HD1 LEU 88 HD11 LEU 88 3.663 19.564 -28.637 671 1HD2 LEU 88 HD21 LEU 88 3.689 15.773 -28.003 672 2HD2 LEU 88 HD22 LEU 88 1.941 15.772 -27.802 673 3HD2 LEU 88 HD23 LEU 88 2.644 16.178 -29.360 674 H GLY 89 HN GLY 89 4.045 15.430 -24.241 675 1HA GLY 89 HA1 GLY 89 5.678 16.574 -22.472 676 2HA GLY 89 HA2 GLY 89 4.143 16.949 -21.690 677 H ILE 90 HN ILE 90 4.909 15.612 -19.894 678 HA ILE 90 HA ILE 90 4.687 12.684 -20.492 679 HB ILE 90 HB ILE 90 6.060 13.978 -18.089 680 1HG1 ILE 90 HG11 ILE 90 7.531 12.744 -20.418 681 2HG1 ILE 90 HG12 ILE 90 7.067 14.439 -20.465 682 1HG2 ILE 90 HG22 ILE 90 6.129 11.177 -19.324 683 2HG2 ILE 90 HG23 ILE 90 7.092 11.678 -17.939 684 3HG2 ILE 90 HG21 ILE 90 5.338 11.611 -17.812 685 1HD1 ILE 90 HD11 ILE 90 8.524 13.283 -18.081 686 2HD1 ILE 90 HD12 ILE 90 9.399 13.880 -19.487 687 3HD1 ILE 90 HD13 ILE 90 8.378 14.971 -18.556 688 OH TYR 91 OH TYR 91 -2.183 15.757 -21.686 689 H TYR 91 HN TYR 91 2.970 11.698 -19.685 690 HA TYR 91 HA TYR 91 1.320 13.135 -17.681 691 1HB TYR 91 HB2 TYR 91 0.872 10.853 -19.617 692 2HB TYR 91 HB1 TYR 91 -0.231 11.052 -18.257 693 HD1 TYR 91 HD2 TYR 91 1.379 13.069 -20.973 694 HD2 TYR 91 HD1 TYR 91 -2.044 12.537 -18.502 695 HE1 TYR 91 HE2 TYR 91 0.236 14.876 -22.165 696 HE2 TYR 91 HE1 TYR 91 -3.190 14.345 -19.708 697 HH TYR 91 HH TYR 91 -1.531 16.438 -21.872 698 H PHE 92 HN PHE 92 0.529 12.117 -15.802 699 HA PHE 92 HA PHE 92 1.948 9.652 -14.922 700 1HB PHE 92 HB2 PHE 92 2.045 12.414 -13.681 701 2HB PHE 92 HB1 PHE 92 2.137 11.009 -12.624 702 HD1 PHE 92 HD2 PHE 92 4.015 9.373 -12.895 703 HD2 PHE 92 HD1 PHE 92 3.889 13.002 -15.122 704 HE1 PHE 92 HE2 PHE 92 6.396 9.123 -13.442 705 HE2 PHE 92 HE1 PHE 92 6.271 12.748 -15.666 706 HZ PHE 92 HZ PHE 92 7.527 10.809 -14.828 707 H CYS 93 HN CYS 93 1.038 8.902 -12.760 708 HA CYS 93 HA CYS 93 -1.729 9.775 -12.220 709 1HB CYS 93 HB2 CYS 93 -2.557 7.405 -12.459 710 2HB CYS 93 HB1 CYS 93 -2.111 8.155 -13.968 711 H SER 94 HN SER 94 -2.546 9.000 -10.216 712 HA SER 94 HA SER 94 -0.818 7.285 -8.567 713 1HB SER 94 HB2 SER 94 -0.144 8.936 -6.988 714 2HB SER 94 HB1 SER 94 -0.096 9.879 -8.488 715 HG SER 94 HG SER 94 -2.405 10.283 -8.041 716 H GLN 95 HN GLN 95 -1.751 6.902 -6.401 717 HA GLN 95 HA GLN 95 -4.724 7.259 -6.408 718 1HB GLN 95 HB2 GLN 95 -4.778 4.953 -5.316 719 2HB GLN 95 HB1 GLN 95 -4.210 4.935 -6.981 720 1HG GLN 95 HG1 GLN 95 -2.190 4.117 -6.348 721 2HG GLN 95 HG2 GLN 95 -1.985 5.403 -5.164 722 1HE2 GLN 95 HE22 GLN 95 -3.072 3.429 -2.426 723 2HE2 GLN 95 HE21 GLN 95 -2.726 5.000 -2.963 724 H THR 96 HN THR 96 -5.721 7.126 -4.281 725 HA THR 96 HA THR 96 -3.848 7.723 -2.030 726 HB THR 96 HB THR 96 -5.774 9.463 -1.362 727 HG1 THR 96 HG1 THR 96 -6.267 10.047 -3.869 728 1HG2 THR 96 HG22 THR 96 -4.033 9.944 -3.848 729 2HG2 THR 96 HG23 THR 96 -4.755 11.207 -2.854 730 3HG2 THR 96 HG21 THR 96 -3.480 10.188 -2.194 731 H THR 97 HN THR 97 -5.547 5.399 -2.874 732 HA THR 97 HA THR 97 -7.683 5.218 -0.885 733 HB THR 97 HB THR 97 -6.404 2.947 -2.507 734 HG1 THR 97 HG1 THR 97 -8.468 3.802 -3.735 735 1HG2 THR 97 HG23 THR 97 -8.379 2.683 -0.672 736 2HG2 THR 97 HG21 THR 97 -9.358 3.375 -1.961 737 3HG2 THR 97 HG22 THR 97 -8.506 1.860 -2.224 738 H HIS 98 HN HIS 98 -4.463 3.788 -1.283 739 HA HIS 98 HA HIS 98 -4.603 2.977 1.593 740 1HB HIS 98 HB2 HIS 98 -3.274 1.609 -0.788 741 2HB HIS 98 HB1 HIS 98 -2.978 1.131 0.881 742 HD2 HIS 98 HD2 HIS 98 -5.664 0.754 -1.883 743 HE1 HIS 98 HE1 HIS 98 -7.149 -1.033 1.537 744 H VAL 99 HN VAL 99 -2.898 3.404 2.874 745 HA VAL 99 HA VAL 99 -0.854 5.262 1.789 746 HB VAL 99 HB VAL 99 -1.273 4.451 4.700 747 1HG1 VAL 99 HG12 VAL 99 -0.281 6.988 3.353 748 2HG1 VAL 99 HG13 VAL 99 -0.498 6.797 5.089 749 3HG1 VAL 99 HG11 VAL 99 0.703 5.828 4.243 750 1HG2 VAL 99 HG22 VAL 99 -2.878 6.382 3.007 751 2HG2 VAL 99 HG23 VAL 99 -3.477 5.083 4.033 752 3HG2 VAL 99 HG21 VAL 99 -2.794 6.534 4.759 753 HA PRO 100 HA PRO 100 1.060 6.003 2.225 754 1HB PRO 100 HB2 PRO 100 3.388 5.631 0.644 755 2HB PRO 100 HB1 PRO 100 3.362 6.052 2.357 756 1HG PRO 100 HG1 PRO 100 4.134 3.520 1.124 757 2HG PRO 100 HG2 PRO 100 4.282 4.005 2.814 758 1HD PRO 100 HD1 PRO 100 2.340 2.206 1.640 759 2HD PRO 100 HD2 PRO 100 2.516 2.656 3.346 760 HA PRO 101 HA PRO 101 -0.518 6.309 -1.848 761 1HB PRO 101 HB2 PRO 101 0.901 8.693 -2.600 762 2HB PRO 101 HB1 PRO 101 -0.713 8.610 -1.895 763 1HG PRO 101 HG1 PRO 101 1.763 9.494 -0.636 764 2HG PRO 101 HG2 PRO 101 0.125 9.553 0.016 765 1HD PRO 101 HD1 PRO 101 2.244 7.756 0.767 766 2HD PRO 101 HD2 PRO 101 0.577 7.772 1.373 767 H THR 102 HN THR 102 0.176 4.988 -3.444 768 HA THR 102 HA THR 102 3.054 4.908 -4.117 769 HB THR 102 HB THR 102 2.245 2.955 -5.634 770 HG1 THR 102 HG1 THR 102 0.124 3.836 -5.785 771 1HG2 THR 102 HG22 THR 102 1.763 3.097 -2.635 772 2HG2 THR 102 HG23 THR 102 1.199 1.677 -3.506 773 3HG2 THR 102 HG21 THR 102 2.912 2.086 -3.506 774 H PHE 103 HN PHE 103 3.638 6.550 -5.410 775 HA PHE 103 HA PHE 103 1.856 7.441 -7.583 776 1HB PHE 103 HB2 PHE 103 4.698 8.408 -7.404 777 2HB PHE 103 HB1 PHE 103 3.228 9.332 -7.689 778 HD1 PHE 103 HD2 PHE 103 1.796 10.020 -5.785 779 HD2 PHE 103 HD1 PHE 103 5.471 7.964 -5.138 780 HE1 PHE 103 HE2 PHE 103 1.759 10.690 -3.423 781 HE2 PHE 103 HE1 PHE 103 5.425 8.632 -2.775 782 HZ PHE 103 HZ PHE 103 3.571 9.995 -1.916 783 H GLY 104 HN GLY 104 2.393 7.348 -9.792 784 1HA GLY 104 HA1 GLY 104 4.783 6.017 -10.745 785 2HA GLY 104 HA2 GLY 104 3.397 4.929 -10.774 786 H GLY 105 HN GLY 105 4.548 5.477 -13.135 787 1HA GLY 105 HA1 GLY 105 2.957 5.950 -15.100 788 2HA GLY 105 HA2 GLY 105 2.795 7.551 -14.392 789 H GLY 106 HN GLY 106 3.637 8.579 -16.211 790 1HA GLY 106 HA1 GLY 106 5.730 9.761 -16.783 791 2HA GLY 106 HA2 GLY 106 6.591 8.245 -16.539 792 H THR 107 HN THR 107 3.564 8.798 -18.285 793 HA THR 107 HA THR 107 4.620 7.305 -20.569 794 HB THR 107 HB THR 107 1.966 8.831 -20.219 795 HG1 THR 107 HG1 THR 107 2.561 6.055 -20.143 796 1HG2 THR 107 HG21 THR 107 3.199 7.412 -22.491 797 2HG2 THR 107 HG22 THR 107 1.766 6.548 -21.938 798 3HG2 THR 107 HG23 THR 107 1.639 8.229 -22.445 799 H LYS 108 HN LYS 108 6.086 8.319 -21.756 800 HA LYS 108 HA LYS 108 6.145 11.188 -22.113 801 1HB LYS 108 HB2 LYS 108 7.584 8.863 -23.461 802 2HB LYS 108 HB1 LYS 108 7.901 10.539 -23.896 803 1HG LYS 108 HG1 LYS 108 8.334 10.964 -21.408 804 2HG LYS 108 HG2 LYS 108 8.311 9.217 -21.197 805 1HD LYS 108 HD1 LYS 108 9.991 9.731 -23.433 806 2HD LYS 108 HD2 LYS 108 10.451 10.890 -22.193 807 1HE LYS 108 HE1 LYS 108 11.753 9.060 -21.572 808 2HE LYS 108 HE2 LYS 108 10.314 8.777 -20.600 809 1HZ LYS 108 HZ1 LYS 108 11.107 6.802 -21.831 810 2HZ LYS 108 HZ2 LYS 108 9.504 7.233 -22.205 811 H LEU 109 HN LEU 109 4.707 12.235 -23.284 812 HA LEU 109 HA LEU 109 3.615 10.938 -25.742 813 1HB LEU 109 HB2 LEU 109 2.107 11.836 -23.803 814 2HB LEU 109 HB1 LEU 109 2.544 13.441 -24.377 815 HG LEU 109 HG LEU 109 1.834 11.966 -26.691 816 1HD1 LEU 109 HD11 LEU 109 -0.158 11.609 -24.423 817 2HD1 LEU 109 HD12 LEU 109 -0.457 11.211 -26.111 818 3HD1 LEU 109 HD13 LEU 109 0.753 10.317 -25.197 819 1HD2 LEU 109 HD22 LEU 109 0.499 14.118 -25.034 820 2HD2 LEU 109 HD23 LEU 109 1.373 14.299 -26.550 821 3HD2 LEU 109 HD21 LEU 109 -0.212 13.537 -26.535 822 H GLU 110 HN GLU 110 5.586 11.500 -26.885 823 HA GLU 110 HA GLU 110 5.900 14.408 -27.440 824 1HB GLU 110 HB2 GLU 110 7.939 13.048 -26.853 825 2HB GLU 110 HB1 GLU 110 7.647 12.038 -28.265 826 1HG GLU 110 HG1 GLU 110 8.185 13.759 -29.772 827 2HG GLU 110 HG2 GLU 110 7.844 15.028 -28.600 828 H ILE 111 HN ILE 111 5.594 15.263 -29.432 829 HA ILE 111 HA ILE 111 3.875 13.836 -31.261 830 HB ILE 111 HB ILE 111 3.746 16.288 -30.957 831 1HG1 ILE 111 HG11 ILE 111 4.728 15.617 -33.753 832 2HG1 ILE 111 HG12 ILE 111 3.097 15.300 -33.169 833 1HG2 ILE 111 HG21 ILE 111 6.407 16.247 -30.762 834 2HG2 ILE 111 HG22 ILE 111 6.330 16.566 -32.488 835 3HG2 ILE 111 HG23 ILE 111 5.595 17.692 -31.351 836 1HD1 ILE 111 HD11 ILE 111 2.963 17.786 -32.582 837 2HD1 ILE 111 HD12 ILE 111 4.456 17.991 -33.493 838 3HD1 ILE 111 HD13 ILE 111 3.003 17.419 -34.305 839 H LYS 112 HN LYS 112 4.308 13.188 -33.406 840 HA LYS 112 HA LYS 112 6.754 11.841 -33.835 841 1HB LYS 112 HB2 LYS 112 4.422 12.682 -35.511 842 2HB LYS 112 HB1 LYS 112 5.898 12.328 -36.404 843 1HG LYS 112 HG1 LYS 112 6.024 10.106 -35.470 844 2HG LYS 112 HG2 LYS 112 4.746 10.456 -34.312 845 1HD LYS 112 HD1 LYS 112 3.479 9.383 -35.922 846 2HD LYS 112 HD2 LYS 112 3.389 11.021 -36.556 847 1HE LYS 112 HE1 LYS 112 5.550 10.428 -37.863 848 2HE LYS 112 HE2 LYS 112 5.170 8.755 -37.472 849 1HZ LYS 112 HZ1 LYS 112 2.818 9.572 -38.370 850 2HZ LYS 112 HZ2 LYS 112 3.829 10.590 -39.279 851 NH1 ARG 113 NH1 ARG 113 12.064 17.970 -30.994 852 NH2 ARG 113 NH2 ARG 113 13.829 16.538 -31.070 853 H ARG 113 HN ARG 113 8.717 12.501 -34.434 854 HA ARG 113 HA ARG 113 9.063 14.926 -36.053 855 1HB ARG 113 HB2 ARG 113 10.575 15.980 -34.333 856 2HB ARG 113 HB1 ARG 113 8.918 15.840 -33.758 857 1HG ARG 113 HG1 ARG 113 9.467 13.839 -32.485 858 2HG ARG 113 HG2 ARG 113 11.090 13.800 -33.167 859 1HD ARG 113 HD1 ARG 113 9.993 16.086 -31.494 860 2HD ARG 113 HD2 ARG 113 11.031 14.804 -30.869 861 HE ARG 113 HE ARG 113 12.265 16.014 -33.169 862 1HH1 ARG 113 HH11 ARG 113 11.139 18.200 -31.290 863 2HH1 ARG 113 HH12 ARG 113 12.554 18.574 -30.369 864 1HH2 ARG 113 HH21 ARG 113 14.227 15.692 -31.423 865 2HH2 ARG 113 HH22 ARG 113 14.352 17.115 -30.446 Start of MODEL 14 Raw file had 865 H/Q atoms Start of MODEL 14 1 1H ASP 1 HT1 ASP 1 2.018 1.009 0.557 2 2H ASP 1 HT2 ASP 1 1.950 -0.681 0.704 3 3H ASP 1 HT3 ASP 1 3.454 0.108 0.664 4 HA ASP 1 HA ASP 1 3.384 -0.577 -1.473 5 1HB ASP 1 HB2 ASP 1 1.112 -0.548 -2.742 6 2HB ASP 1 HB1 ASP 1 1.275 -1.761 -1.476 7 H VAL 2 HN VAL 2 3.076 0.507 -3.565 8 HA VAL 2 HA VAL 2 3.716 3.269 -3.207 9 HB VAL 2 HB VAL 2 2.976 1.772 -5.766 10 1HG1 VAL 2 HG12 VAL 2 4.463 4.372 -5.254 11 2HG1 VAL 2 HG13 VAL 2 4.449 3.548 -6.810 12 3HG1 VAL 2 HG11 VAL 2 2.950 4.176 -6.132 13 1HG2 VAL 2 HG21 VAL 2 5.629 2.187 -4.343 14 2HG2 VAL 2 HG22 VAL 2 4.825 0.651 -4.648 15 3HG2 VAL 2 HG23 VAL 2 5.486 1.579 -5.989 16 H VAL 3 HN VAL 3 2.240 4.736 -2.648 17 HA VAL 3 HA VAL 3 -0.582 4.431 -3.245 18 HB VAL 3 HB VAL 3 0.740 7.051 -2.454 19 1HG1 VAL 3 HG13 VAL 3 -1.747 6.871 -2.869 20 2HG1 VAL 3 HG11 VAL 3 -1.832 5.716 -1.543 21 3HG1 VAL 3 HG12 VAL 3 -1.339 7.377 -1.233 22 1HG2 VAL 3 HG22 VAL 3 0.486 4.511 -0.851 23 2HG2 VAL 3 HG23 VAL 3 1.824 5.655 -0.906 24 3HG2 VAL 3 HG21 VAL 3 0.347 6.068 -0.040 25 H MET 4 HN MET 4 -1.823 5.430 -4.766 26 HA MET 4 HA MET 4 -0.414 7.148 -6.758 27 1HB MET 4 HB2 MET 4 -1.914 4.603 -7.111 28 2HB MET 4 HB1 MET 4 -2.381 5.873 -8.236 29 1HG MET 4 HG1 MET 4 0.086 6.214 -8.699 30 2HG MET 4 HG2 MET 4 0.396 4.775 -7.763 31 1HE MET 4 HE3 MET 4 0.454 6.164 -10.987 32 2HE MET 4 HE1 MET 4 -0.508 5.195 -12.106 33 3HE MET 4 HE2 MET 4 -1.306 6.254 -10.940 34 H THR 5 HN THR 5 -1.262 9.095 -6.349 35 HA THR 5 HA THR 5 -4.046 9.445 -5.542 36 HB THR 5 HB THR 5 -2.448 11.795 -6.571 37 HG1 THR 5 HG1 THR 5 -1.819 10.328 -4.215 38 1HG2 THR 5 HG21 THR 5 -3.794 11.134 -3.890 39 2HG2 THR 5 HG22 THR 5 -3.167 12.713 -4.352 40 3HG2 THR 5 HG23 THR 5 -4.570 12.045 -5.181 41 H GLN 6 HN GLN 6 -5.735 10.224 -6.738 42 HA GLN 6 HA GLN 6 -5.223 10.661 -9.645 43 1HB GLN 6 HB2 GLN 6 -6.542 8.453 -8.503 44 2HB GLN 6 HB1 GLN 6 -7.856 9.494 -9.038 45 1HG GLN 6 HG1 GLN 6 -5.528 8.999 -10.882 46 2HG GLN 6 HG2 GLN 6 -6.783 7.774 -10.735 47 1HE2 GLN 6 HE22 GLN 6 -8.663 9.528 -13.132 48 2HE2 GLN 6 HE21 GLN 6 -7.961 8.057 -12.660 49 H THR 7 HN THR 7 -6.222 12.324 -10.544 50 HA THR 7 HA THR 7 -8.633 13.551 -9.432 51 HB THR 7 HB THR 7 -6.796 15.775 -9.616 52 HG1 THR 7 HG1 THR 7 -5.877 13.721 -7.894 53 1HG2 THR 7 HG23 THR 7 -8.154 14.261 -7.343 54 2HG2 THR 7 HG21 THR 7 -6.997 15.533 -6.965 55 3HG2 THR 7 HG22 THR 7 -8.455 15.912 -7.874 56 HA PRO 8 HA PRO 8 -9.366 15.681 -9.651 57 1HB PRO 8 HB2 PRO 8 -11.622 16.419 -11.205 58 2HB PRO 8 HB1 PRO 8 -10.295 17.490 -10.753 59 1HG PRO 8 HG1 PRO 8 -10.917 16.373 -13.384 60 2HG PRO 8 HG2 PRO 8 -9.731 17.612 -12.971 61 1HD PRO 8 HD1 PRO 8 -9.238 14.835 -13.618 62 2HD PRO 8 HD2 PRO 8 -8.049 16.085 -13.208 63 H LEU 9 HN LEU 9 -11.747 15.323 -8.961 64 HA LEU 9 HA LEU 9 -12.282 12.452 -9.162 65 1HB LEU 9 HB2 LEU 9 -13.881 14.708 -7.836 66 2HB LEU 9 HB1 LEU 9 -14.152 12.992 -7.577 67 HG LEU 9 HG LEU 9 -12.838 13.691 -5.717 68 1HD1 LEU 9 HD12 LEU 9 -12.005 11.636 -6.983 69 2HD1 LEU 9 HD13 LEU 9 -10.765 12.674 -7.682 70 3HD1 LEU 9 HD11 LEU 9 -10.818 12.415 -5.942 71 1HD2 LEU 9 HD23 LEU 9 -12.107 15.825 -7.171 72 2HD2 LEU 9 HD21 LEU 9 -11.192 15.309 -5.759 73 3HD2 LEU 9 HD22 LEU 9 -10.643 14.866 -7.371 74 H SER 10 HN SER 10 -13.866 15.449 -10.113 75 HA SER 10 HA SER 10 -15.495 13.895 -12.082 76 1HB SER 10 HB2 SER 10 -17.244 15.801 -11.659 77 2HB SER 10 HB1 SER 10 -17.045 14.638 -10.334 78 HG SER 10 HG SER 10 -15.332 16.861 -10.518 79 H LEU 11 HN LEU 11 -15.727 14.849 -14.106 80 HA LEU 11 HA LEU 11 -14.325 17.465 -14.472 81 1HB LEU 11 HB2 LEU 11 -12.966 15.364 -15.147 82 2HB LEU 11 HB1 LEU 11 -14.133 15.160 -16.448 83 HG LEU 11 HG LEU 11 -13.547 17.802 -16.755 84 1HD1 LEU 11 HD11 LEU 11 -11.862 17.685 -14.912 85 2HD1 LEU 11 HD12 LEU 11 -10.975 16.471 -15.831 86 3HD1 LEU 11 HD13 LEU 11 -11.131 18.110 -16.456 87 1HD2 LEU 11 HD23 LEU 11 -11.945 15.470 -17.865 88 2HD2 LEU 11 HD21 LEU 11 -13.472 16.060 -18.513 89 3HD2 LEU 11 HD22 LEU 11 -12.035 17.076 -18.579 90 HA PRO 12 HA PRO 12 -18.480 17.570 -16.450 91 1HB PRO 12 HB2 PRO 12 -18.686 20.322 -15.607 92 2HB PRO 12 HB1 PRO 12 -19.578 18.946 -14.958 93 1HG PRO 12 HG1 PRO 12 -17.425 20.429 -13.707 94 2HG PRO 12 HG2 PRO 12 -18.367 19.103 -13.026 95 1HD PRO 12 HD1 PRO 12 -15.632 19.034 -13.951 96 2HD PRO 12 HD2 PRO 12 -16.583 17.698 -13.275 97 H VAL 13 HN VAL 13 -17.951 17.730 -18.575 98 HA VAL 13 HA VAL 13 -16.850 20.352 -19.507 99 HB VAL 13 HB VAL 13 -15.471 19.150 -21.161 100 1HG1 VAL 13 HG13 VAL 13 -14.723 19.414 -18.686 101 2HG1 VAL 13 HG11 VAL 13 -15.025 17.684 -18.559 102 3HG1 VAL 13 HG12 VAL 13 -13.826 18.286 -19.698 103 1HG2 VAL 13 HG21 VAL 13 -16.867 16.716 -20.009 104 2HG2 VAL 13 HG22 VAL 13 -16.857 17.259 -21.684 105 3HG2 VAL 13 HG23 VAL 13 -15.392 16.596 -20.964 106 H SER 14 HN SER 14 -16.866 20.126 -22.096 107 HA SER 14 HA SER 14 -19.689 19.460 -22.828 108 1HB SER 14 HB2 SER 14 -17.946 21.865 -23.350 109 2HB SER 14 HB1 SER 14 -19.036 21.366 -24.658 110 HG SER 14 HG SER 14 -20.213 22.652 -23.267 111 H LEU 15 HN LEU 15 -19.851 19.271 -25.323 112 HA LEU 15 HA LEU 15 -17.848 17.259 -26.109 113 1HB LEU 15 HB2 LEU 15 -20.416 18.232 -27.443 114 2HB LEU 15 HB1 LEU 15 -19.432 16.894 -28.027 115 HG LEU 15 HG LEU 15 -20.431 16.937 -25.178 116 1HD1 LEU 15 HD11 LEU 15 -22.402 17.215 -26.649 117 2HD1 LEU 15 HD12 LEU 15 -21.885 15.828 -27.602 118 3HD1 LEU 15 HD13 LEU 15 -22.374 15.611 -25.926 119 1HD2 LEU 15 HD21 LEU 15 -19.582 14.791 -27.148 120 2HD2 LEU 15 HD22 LEU 15 -18.722 15.292 -25.696 121 3HD2 LEU 15 HD23 LEU 15 -20.260 14.447 -25.561 122 H GLY 16 HN GLY 16 -16.057 18.510 -26.524 123 1HA GLY 16 HA1 GLY 16 -15.134 19.158 -28.907 124 2HA GLY 16 HA2 GLY 16 -16.253 20.507 -28.731 125 H ASP 17 HN ASP 17 -14.206 18.988 -26.280 126 HA ASP 17 HA ASP 17 -12.558 21.463 -26.167 127 1HB ASP 17 HB2 ASP 17 -14.537 20.536 -24.196 128 2HB ASP 17 HB1 ASP 17 -12.939 20.702 -23.473 129 H GLN 18 HN GLN 18 -10.976 20.922 -24.048 130 HA GLN 18 HA GLN 18 -9.666 18.367 -24.889 131 1HB GLN 18 HB2 GLN 18 -8.604 21.002 -23.813 132 2HB GLN 18 HB1 GLN 18 -7.625 19.541 -23.727 133 1HG GLN 18 HG1 GLN 18 -7.687 19.266 -26.135 134 2HG GLN 18 HG2 GLN 18 -8.882 20.551 -26.301 135 1HE2 GLN 18 HE22 GLN 18 -6.484 23.178 -25.778 136 2HE2 GLN 18 HE21 GLN 18 -8.123 22.788 -25.576 137 H ALA 19 HN ALA 19 -9.096 16.860 -23.403 138 HA ALA 19 HA ALA 19 -10.070 17.340 -20.614 139 1HB ALA 19 HB2 ALA 19 -10.478 15.200 -22.485 140 2HB ALA 19 HB3 ALA 19 -9.508 14.550 -21.168 141 3HB ALA 19 HB1 ALA 19 -11.068 15.293 -20.831 142 H SER 20 HN SER 20 -8.844 16.352 -18.869 143 HA SER 20 HA SER 20 -6.097 15.497 -19.424 144 1HB SER 20 HB2 SER 20 -5.159 17.396 -17.944 145 2HB SER 20 HB1 SER 20 -5.798 17.947 -19.505 146 HG SER 20 HG SER 20 -7.175 17.864 -17.018 147 H ILE 21 HN ILE 21 -6.747 13.640 -18.308 148 HA ILE 21 HA ILE 21 -7.693 13.847 -15.537 149 HB ILE 21 HB ILE 21 -6.579 11.304 -16.760 150 1HG1 ILE 21 HG11 ILE 21 -9.330 12.414 -17.411 151 2HG1 ILE 21 HG12 ILE 21 -7.971 12.445 -18.528 152 1HG2 ILE 21 HG21 ILE 21 -7.651 11.627 -14.384 153 2HG2 ILE 21 HG22 ILE 21 -9.181 11.748 -15.246 154 3HG2 ILE 21 HG23 ILE 21 -8.225 10.274 -15.353 155 1HD1 ILE 21 HD11 ILE 21 -7.834 9.863 -17.961 156 2HD1 ILE 21 HD12 ILE 21 -9.517 10.087 -17.500 157 3HD1 ILE 21 HD13 ILE 21 -9.003 10.441 -19.145 158 H SER 22 HN SER 22 -6.438 13.907 -13.794 159 HA SER 22 HA SER 22 -3.506 13.658 -14.159 160 1HB SER 22 HB2 SER 22 -4.772 14.486 -11.534 161 2HB SER 22 HB1 SER 22 -3.313 15.120 -12.320 162 HG SER 22 HG SER 22 -6.026 15.525 -13.029 163 H CYS 23 HN CYS 23 -2.250 12.220 -13.131 164 HA CYS 23 HA CYS 23 -3.332 10.484 -11.010 165 1HB CYS 23 HB2 CYS 23 -3.992 9.457 -13.233 166 2HB CYS 23 HB1 CYS 23 -2.301 9.357 -13.645 167 NH1 ARG 24 NH1 ARG 24 -0.686 13.963 -5.968 168 NH2 ARG 24 NH2 ARG 24 -0.272 16.074 -6.702 169 H ARG 24 HN ARG 24 -1.731 10.689 -9.561 170 HA ARG 24 HA ARG 24 1.089 10.465 -10.557 171 1HB ARG 24 HB2 ARG 24 -0.055 11.952 -8.150 172 2HB ARG 24 HB1 ARG 24 1.666 11.797 -8.480 173 1HG ARG 24 HG1 ARG 24 1.605 13.298 -10.209 174 2HG ARG 24 HG2 ARG 24 0.012 12.780 -10.745 175 1HD ARG 24 HD1 ARG 24 0.190 15.136 -9.693 176 2HD ARG 24 HD2 ARG 24 -1.086 14.085 -9.076 177 HE ARG 24 HE ARG 24 1.494 14.012 -7.625 178 1HH1 ARG 24 HH11 ARG 24 -0.560 12.978 -6.080 179 2HH1 ARG 24 HH12 ARG 24 -1.231 14.314 -5.209 180 1HH2 ARG 24 HH21 ARG 24 0.167 16.676 -7.368 181 2HH2 ARG 24 HH22 ARG 24 -0.814 16.462 -5.958 182 H SER 25 HN SER 25 2.604 9.788 -8.732 183 HA SER 25 HA SER 25 1.337 7.666 -7.061 184 1HB SER 25 HB2 SER 25 3.294 6.179 -7.650 185 2HB SER 25 HB1 SER 25 2.395 6.641 -9.108 186 HG SER 25 HG SER 25 4.272 8.478 -8.269 187 H SER 26 HN SER 26 2.868 6.882 -5.333 188 HA SER 26 HA SER 26 3.904 9.201 -3.930 189 1HB SER 26 HB2 SER 26 4.822 7.175 -2.399 190 2HB SER 26 HB1 SER 26 3.086 7.535 -2.439 191 HG SER 26 HG SER 26 2.769 5.941 -3.898 192 H GLN 27 HN GLN 27 5.451 6.288 -5.279 193 HA GLN 27 HA GLN 27 8.014 7.805 -5.240 194 1HB GLN 27 HB2 GLN 27 7.429 5.325 -4.139 195 2HB GLN 27 HB1 GLN 27 8.101 4.871 -5.702 196 1HG GLN 27 HG1 GLN 27 10.114 5.126 -4.654 197 2HG GLN 27 HG2 GLN 27 9.838 6.843 -4.929 198 1HE2 GLN 27 HE22 GLN 27 9.414 7.576 -1.512 199 2HE2 GLN 27 HE21 GLN 27 9.509 8.167 -3.099 200 H SER 28 HN SER 28 9.484 7.364 -7.033 201 HA SER 28 HA SER 28 8.248 7.759 -9.562 202 1HB SER 28 HB2 SER 28 11.057 6.820 -8.796 203 2HB SER 28 HB1 SER 28 10.599 7.276 -10.449 204 HG SER 28 HG SER 28 10.415 9.303 -9.852 205 H LEU 29 HN LEU 29 7.341 6.390 -10.950 206 HA LEU 29 HA LEU 29 7.380 3.523 -10.387 207 1HB LEU 29 HB2 LEU 29 6.159 5.130 -12.676 208 2HB LEU 29 HB1 LEU 29 5.883 3.413 -12.412 209 HG LEU 29 HG LEU 29 5.183 5.644 -10.476 210 1HD1 LEU 29 HD13 LEU 29 3.738 5.337 -12.554 211 2HD1 LEU 29 HD11 LEU 29 3.372 3.717 -11.968 212 3HD1 LEU 29 HD12 LEU 29 2.887 5.123 -11.027 213 1HD2 LEU 29 HD21 LEU 29 5.318 2.674 -10.231 214 2HD2 LEU 29 HD22 LEU 29 5.530 3.910 -8.996 215 3HD2 LEU 29 HD23 LEU 29 3.912 3.460 -9.524 216 H VAL 30 HN VAL 30 9.903 4.806 -11.166 217 HA VAL 30 HA VAL 30 10.418 3.556 -13.815 218 HB VAL 30 HB VAL 30 12.185 5.337 -12.064 219 1HG1 VAL 30 HG12 VAL 30 12.511 4.088 -14.797 220 2HG1 VAL 30 HG13 VAL 30 13.347 5.586 -14.395 221 3HG1 VAL 30 HG11 VAL 30 13.660 4.125 -13.462 222 1HG2 VAL 30 HG22 VAL 30 10.131 6.453 -12.982 223 2HG2 VAL 30 HG23 VAL 30 11.620 7.113 -13.653 224 3HG2 VAL 30 HG21 VAL 30 10.646 5.994 -14.602 225 H HIS 31 HN HIS 31 11.705 1.828 -14.066 226 HA HIS 31 HA HIS 31 12.440 0.337 -11.638 227 1HB HIS 31 HB2 HIS 31 11.442 -0.494 -13.993 228 2HB HIS 31 HB1 HIS 31 13.149 -0.592 -14.416 229 HD2 HIS 31 HD2 HIS 31 10.504 -2.489 -12.361 230 HE1 HIS 31 HE1 HIS 31 14.158 -4.239 -11.531 231 H SER 32 HN SER 32 14.584 -0.854 -11.702 232 HA SER 32 HA SER 32 16.702 1.131 -11.758 233 1HB SER 32 HB2 SER 32 16.545 -0.844 -10.126 234 2HB SER 32 HB1 SER 32 17.004 -1.902 -11.475 235 HG SER 32 HG SER 32 18.641 0.080 -11.655 236 H ASN 33 HN ASN 33 15.565 -1.287 -13.975 237 HA ASN 33 HA ASN 33 18.034 -1.377 -15.531 238 1HB ASN 33 HB2 ASN 33 16.471 -2.537 -17.227 239 2HB ASN 33 HB1 ASN 33 16.572 -3.312 -15.649 240 1HD2 ASN 33 HD22 ASN 33 13.151 -2.895 -14.992 241 2HD2 ASN 33 HD21 ASN 33 14.619 -3.639 -14.578 242 H GLY 34 HN GLY 34 15.097 0.514 -15.594 243 1HA GLY 34 HA1 GLY 34 15.336 2.789 -16.625 244 2HA GLY 34 HA2 GLY 34 16.209 2.011 -17.941 245 H ASN 35 HN ASN 35 13.209 1.024 -16.331 246 HA ASN 35 HA ASN 35 11.787 1.445 -18.926 247 1HB ASN 35 HB2 ASN 35 11.903 -0.996 -17.128 248 2HB ASN 35 HB1 ASN 35 10.477 -0.713 -18.120 249 1HD2 ASN 35 HD22 ASN 35 14.048 -1.428 -20.035 250 2HD2 ASN 35 HD21 ASN 35 14.066 -0.702 -18.501 251 H THR 36 HN THR 36 9.729 2.199 -18.796 252 HA THR 36 HA THR 36 8.720 2.844 -16.049 253 HB THR 36 HB THR 36 7.987 4.294 -18.657 254 HG1 THR 36 HG1 THR 36 9.746 5.449 -16.895 255 1HG2 THR 36 HG22 THR 36 7.941 4.981 -15.665 256 2HG2 THR 36 HG23 THR 36 7.705 6.186 -16.927 257 3HG2 THR 36 HG21 THR 36 6.541 4.881 -16.729 258 OH TYR 37 OH TYR 37 10.612 -3.106 -16.904 259 H TYR 37 HN TYR 37 7.176 1.415 -15.533 260 HA TYR 37 HA TYR 37 5.350 0.425 -17.660 261 1HB TYR 37 HB2 TYR 37 5.520 -0.455 -14.743 262 2HB TYR 37 HB1 TYR 37 4.792 -1.342 -16.080 263 HD1 TYR 37 HD2 TYR 37 6.389 -1.956 -18.061 264 HD2 TYR 37 HD1 TYR 37 7.777 -0.842 -14.198 265 HE1 TYR 37 HE2 TYR 37 8.555 -3.004 -18.536 266 HE2 TYR 37 HE1 TYR 37 9.942 -1.889 -14.676 267 HH TYR 37 HH TYR 37 10.547 -4.036 -16.675 268 H LEU 38 HN LEU 38 3.629 1.671 -17.985 269 HA LEU 38 HA LEU 38 1.815 2.214 -15.730 270 1HB LEU 38 HB2 LEU 38 3.616 4.187 -16.316 271 2HB LEU 38 HB1 LEU 38 2.351 4.598 -17.466 272 HG LEU 38 HG LEU 38 2.049 4.309 -14.456 273 1HD1 LEU 38 HD12 LEU 38 2.036 6.593 -16.425 274 2HD1 LEU 38 HD13 LEU 38 1.177 6.731 -14.891 275 3HD1 LEU 38 HD11 LEU 38 2.915 6.451 -14.905 276 1HD2 LEU 38 HD23 LEU 38 -0.016 4.675 -16.652 277 2HD2 LEU 38 HD21 LEU 38 0.020 3.434 -15.400 278 3HD2 LEU 38 HD22 LEU 38 -0.330 5.103 -14.970 279 H ASN 39 HN ASN 39 -0.210 1.883 -16.383 280 HA ASN 39 HA ASN 39 -0.871 2.302 -19.273 281 1HB ASN 39 HB2 ASN 39 -2.205 0.219 -19.192 282 2HB ASN 39 HB1 ASN 39 -0.551 -0.135 -18.699 283 1HD2 ASN 39 HD22 ASN 39 -3.542 -0.896 -16.156 284 2HD2 ASN 39 HD21 ASN 39 -3.782 -0.521 -17.794 285 CH2 TRP 40 CH2 TRP 40 -4.520 9.141 -15.950 286 H TRP 40 HN TRP 40 -3.045 2.825 -19.724 287 HA TRP 40 HA TRP 40 -4.566 3.850 -17.358 288 1HB TRP 40 HB2 TRP 40 -4.230 4.892 -20.199 289 2HB TRP 40 HB1 TRP 40 -5.586 5.409 -19.204 290 HD1 TRP 40 HD1 TRP 40 -1.693 5.503 -19.227 291 HE1 TRP 40 HE1 TRP 40 -1.069 7.476 -17.772 292 HE3 TRP 40 HE3 TRP 40 -6.203 6.705 -17.564 293 HZ2 TRP 40 HZ2 TRP 40 -2.410 9.454 -16.054 294 HZ3 TRP 40 HZ3 TRP 40 -6.583 8.587 -16.031 295 HH2 TRP 40 HH2 TRP 40 -4.689 9.978 -15.286 296 OH TYR 41 OH TYR 41 -5.071 -3.325 -18.123 297 H TYR 41 HN TYR 41 -6.914 3.798 -17.556 298 HA TYR 41 HA TYR 41 -7.911 1.807 -19.557 299 1HB TYR 41 HB2 TYR 41 -8.128 1.741 -16.527 300 2HB TYR 41 HB1 TYR 41 -9.373 0.978 -17.509 301 HD1 TYR 41 HD1 TYR 41 -8.088 -0.329 -19.661 302 HD2 TYR 41 HD2 TYR 41 -6.615 0.173 -15.703 303 HE1 TYR 41 HE1 TYR 41 -6.683 -2.318 -19.931 304 HE2 TYR 41 HE2 TYR 41 -5.218 -1.824 -15.972 305 HH TYR 41 HH TYR 41 -5.413 -4.006 -17.538 306 H LEU 42 HN LEU 42 -10.165 1.870 -19.922 307 HA LEU 42 HA LEU 42 -11.645 4.207 -18.836 308 1HB LEU 42 HB2 LEU 42 -10.925 5.180 -20.884 309 2HB LEU 42 HB1 LEU 42 -10.952 3.646 -21.739 310 HG LEU 42 HG LEU 42 -13.454 3.644 -21.591 311 1HD1 LEU 42 HD13 LEU 42 -12.850 6.030 -19.936 312 2HD1 LEU 42 HD11 LEU 42 -14.176 6.234 -21.075 313 3HD1 LEU 42 HD12 LEU 42 -14.236 4.947 -19.876 314 1HD2 LEU 42 HD23 LEU 42 -12.085 6.028 -22.863 315 2HD2 LEU 42 HD21 LEU 42 -12.521 4.504 -23.629 316 3HD2 LEU 42 HD22 LEU 42 -13.779 5.639 -23.148 317 H GLN 43 HN GLN 43 -13.628 3.615 -18.258 318 HA GLN 43 HA GLN 43 -14.851 1.252 -19.620 319 1HB GLN 43 HB2 GLN 43 -14.725 1.859 -16.629 320 2HB GLN 43 HB1 GLN 43 -15.739 0.599 -17.323 321 1HG GLN 43 HG1 GLN 43 -13.823 -0.616 -18.136 322 2HG GLN 43 HG2 GLN 43 -12.743 0.732 -17.792 323 1HE2 GLN 43 HE22 GLN 43 -14.219 -1.332 -14.552 324 2HE2 GLN 43 HE21 GLN 43 -15.213 -1.110 -15.909 325 H LYS 44 HN LYS 44 -17.146 1.166 -19.539 326 HA LYS 44 HA LYS 44 -18.378 3.861 -19.145 327 1HB LYS 44 HB2 LYS 44 -18.270 2.732 -21.497 328 2HB LYS 44 HB1 LYS 44 -19.483 1.616 -20.886 329 1HG LYS 44 HG1 LYS 44 -20.877 3.255 -21.764 330 2HG LYS 44 HG2 LYS 44 -20.676 3.892 -20.135 331 1HD LYS 44 HD1 LYS 44 -20.118 5.781 -21.374 332 2HD LYS 44 HD2 LYS 44 -18.528 5.044 -21.213 333 1HE LYS 44 HE1 LYS 44 -19.266 3.756 -23.419 334 2HE LYS 44 HE2 LYS 44 -20.338 5.139 -23.603 335 1HZ LYS 44 HZ1 LYS 44 -18.496 5.925 -24.640 336 2HZ LYS 44 HZ2 LYS 44 -18.125 6.425 -23.055 337 H ALA 45 HN ALA 45 -20.762 1.650 -19.775 338 HA ALA 45 HA ALA 45 -21.666 1.736 -16.993 339 1HB ALA 45 HB3 ALA 45 -22.815 0.586 -19.574 340 2HB ALA 45 HB1 ALA 45 -23.629 0.394 -18.024 341 3HB ALA 45 HB2 ALA 45 -23.372 2.003 -18.690 342 H GLY 46 HN GLY 46 -22.154 -1.126 -18.946 343 1HA GLY 46 HA1 GLY 46 -20.546 -2.690 -16.961 344 2HA GLY 46 HA2 GLY 46 -22.113 -3.249 -17.537 345 H GLN 47 HN GLN 47 -19.584 -1.711 -19.443 346 HA GLN 47 HA GLN 47 -19.638 -4.000 -21.307 347 1HB GLN 47 HB2 GLN 47 -19.387 -1.261 -21.649 348 2HB GLN 47 HB1 GLN 47 -17.708 -1.773 -21.762 349 1HG GLN 47 HG1 GLN 47 -18.572 -1.899 -23.996 350 2HG GLN 47 HG2 GLN 47 -18.516 -3.562 -23.422 351 1HE2 GLN 47 HE22 GLN 47 -22.178 -1.729 -23.785 352 2HE2 GLN 47 HE21 GLN 47 -20.793 -0.774 -23.559 353 H SER 48 HN SER 48 -17.229 -4.269 -22.322 354 HA SER 48 HA SER 48 -15.710 -5.465 -20.109 355 1HB SER 48 HB2 SER 48 -14.194 -6.165 -22.138 356 2HB SER 48 HB1 SER 48 -15.848 -6.808 -22.136 357 HG SER 48 HG SER 48 -15.840 -5.818 -24.034 358 HA PRO 49 HA PRO 49 -12.797 -2.307 -19.430 359 1HB PRO 49 HB2 PRO 49 -10.522 -4.137 -19.466 360 2HB PRO 49 HB1 PRO 49 -11.295 -3.391 -18.068 361 1HG PRO 49 HG1 PRO 49 -11.477 -6.136 -18.909 362 2HG PRO 49 HG2 PRO 49 -12.295 -5.380 -17.542 363 1HD PRO 49 HD1 PRO 49 -13.461 -6.252 -20.035 364 2HD PRO 49 HD2 PRO 49 -14.281 -5.484 -18.662 365 H LYS 50 HN LYS 50 -11.964 -0.915 -20.853 366 HA LYS 50 HA LYS 50 -10.788 -2.004 -23.375 367 1HB LYS 50 HB2 LYS 50 -12.156 0.623 -22.672 368 2HB LYS 50 HB1 LYS 50 -11.210 0.452 -24.145 369 1HG LYS 50 HG1 LYS 50 -12.715 -1.021 -25.112 370 2HG LYS 50 HG2 LYS 50 -13.244 -1.665 -23.563 371 1HD LYS 50 HD1 LYS 50 -13.837 1.210 -23.997 372 2HD LYS 50 HD2 LYS 50 -14.707 0.103 -25.052 373 1HE LYS 50 HE1 LYS 50 -15.909 0.579 -22.891 374 2HE LYS 50 HE2 LYS 50 -15.572 -1.130 -23.144 375 1HZ LYS 50 HZ1 LYS 50 -13.820 -1.084 -21.626 376 2HZ LYS 50 HZ2 LYS 50 -13.743 0.616 -21.608 377 H LEU 51 HN LEU 51 -8.751 -1.487 -23.960 378 HA LEU 51 HA LEU 51 -7.152 0.046 -21.959 379 1HB LEU 51 HB2 LEU 51 -6.377 -2.247 -22.413 380 2HB LEU 51 HB1 LEU 51 -6.393 -1.954 -24.146 381 HG LEU 51 HG LEU 51 -4.667 -0.111 -23.727 382 1HD1 LEU 51 HD12 LEU 51 -4.715 -1.455 -21.005 383 2HD1 LEU 51 HD13 LEU 51 -3.359 -0.483 -21.568 384 3HD1 LEU 51 HD11 LEU 51 -4.942 0.255 -21.356 385 1HD2 LEU 51 HD22 LEU 51 -4.281 -2.595 -24.447 386 2HD2 LEU 51 HD23 LEU 51 -2.895 -1.659 -23.900 387 3HD2 LEU 51 HD21 LEU 51 -3.666 -2.807 -22.810 388 H LEU 52 HN LEU 52 -6.169 1.886 -22.471 389 HA LEU 52 HA LEU 52 -6.334 2.821 -25.314 390 1HB LEU 52 HB2 LEU 52 -6.307 4.366 -22.674 391 2HB LEU 52 HB1 LEU 52 -6.247 5.136 -24.255 392 HG LEU 52 HG LEU 52 -8.466 3.254 -23.382 393 1HD1 LEU 52 HD12 LEU 52 -8.434 5.325 -22.011 394 2HD1 LEU 52 HD13 LEU 52 -8.411 6.292 -23.483 395 3HD1 LEU 52 HD11 LEU 52 -9.818 5.306 -23.100 396 1HD2 LEU 52 HD21 LEU 52 -7.928 4.986 -25.797 397 2HD2 LEU 52 HD22 LEU 52 -8.428 3.298 -25.744 398 3HD2 LEU 52 HD23 LEU 52 -9.578 4.570 -25.346 399 H ILE 53 HN ILE 53 -4.417 3.078 -22.356 400 HA ILE 53 HA ILE 53 -1.961 3.289 -24.058 401 HB ILE 53 HB ILE 53 -2.372 4.587 -21.329 402 1HG1 ILE 53 HG11 ILE 53 -3.921 5.458 -23.190 403 2HG1 ILE 53 HG12 ILE 53 -2.946 6.637 -22.321 404 1HG2 ILE 53 HG21 ILE 53 -0.286 4.789 -23.533 405 2HG2 ILE 53 HG22 ILE 53 -0.418 6.012 -22.271 406 3HG2 ILE 53 HG23 ILE 53 -0.032 4.347 -21.848 407 1HD1 ILE 53 HD13 ILE 53 -1.955 5.340 -24.853 408 2HD1 ILE 53 HD11 ILE 53 -2.954 6.789 -24.898 409 3HD1 ILE 53 HD12 ILE 53 -1.388 6.820 -24.092 410 OH TYR 54 OH TYR 54 2.598 -0.095 -27.537 411 H TYR 54 HN TYR 54 -0.345 1.879 -23.482 412 HA TYR 54 HA TYR 54 -0.738 0.391 -20.910 413 1HB TYR 54 HB2 TYR 54 0.235 -1.603 -22.091 414 2HB TYR 54 HB1 TYR 54 -1.246 -1.047 -22.863 415 HD1 TYR 54 HD1 TYR 54 2.412 -1.237 -23.163 416 HD2 TYR 54 HD2 TYR 54 -1.171 0.074 -25.041 417 HE1 TYR 54 HE1 TYR 54 3.625 -0.942 -25.273 418 HE2 TYR 54 HE2 TYR 54 0.044 0.366 -27.150 419 HH TYR 54 HH TYR 54 3.519 0.074 -27.326 420 H LYS 55 HN LYS 55 1.344 2.319 -22.718 421 HA LYS 55 HA LYS 55 3.515 1.770 -20.766 422 1HB LYS 55 HB2 LYS 55 3.564 1.120 -23.616 423 2HB LYS 55 HB1 LYS 55 4.812 2.303 -23.247 424 1HG LYS 55 HG1 LYS 55 4.389 -0.310 -21.757 425 2HG LYS 55 HG2 LYS 55 5.638 -0.026 -22.964 426 1HD LYS 55 HD1 LYS 55 6.042 2.110 -21.298 427 2HD LYS 55 HD2 LYS 55 5.484 0.900 -20.150 428 1HE LYS 55 HE1 LYS 55 7.225 -0.633 -20.786 429 2HE LYS 55 HE2 LYS 55 7.666 0.347 -22.180 430 1HZ LYS 55 HZ1 LYS 55 8.108 2.155 -20.439 431 2HZ LYS 55 HZ2 LYS 55 8.141 0.877 -19.324 432 H VAL 56 HN VAL 56 2.955 3.708 -19.820 433 HA VAL 56 HA VAL 56 2.810 5.991 -19.488 434 HB VAL 56 HB VAL 56 5.334 5.343 -19.654 435 1HG1 VAL 56 HG11 VAL 56 5.414 5.407 -22.180 436 2HG1 VAL 56 HG12 VAL 56 5.190 7.152 -22.085 437 3HG1 VAL 56 HG13 VAL 56 6.623 6.406 -21.395 438 1HG2 VAL 56 HG22 VAL 56 4.317 8.185 -19.942 439 2HG2 VAL 56 HG23 VAL 56 4.587 7.296 -18.445 440 3HG2 VAL 56 HG21 VAL 56 5.956 7.782 -19.439 441 H SER 57 HN SER 57 4.032 6.001 -22.885 442 HA SER 57 HA SER 57 1.643 7.675 -23.521 443 1HB SER 57 HB2 SER 57 3.054 9.191 -24.823 444 2HB SER 57 HB1 SER 57 3.907 8.959 -23.285 445 HG SER 57 HG SER 57 4.347 7.688 -25.777 446 H ASN 58 HN ASN 58 2.241 4.820 -23.950 447 HA ASN 58 HA ASN 58 2.370 4.736 -26.929 448 1HB ASN 58 HB2 ASN 58 2.784 2.685 -24.724 449 2HB ASN 58 HB1 ASN 58 2.530 2.176 -26.390 450 1HD2 ASN 58 HD22 ASN 58 5.945 4.303 -25.528 451 2HD2 ASN 58 HD21 ASN 58 4.554 4.566 -24.593 452 NH1 ARG 59 NH2 ARG 59 0.383 7.638 -31.367 453 NH2 ARG 59 NH1 ARG 59 -1.236 9.215 -31.601 454 H ARG 59 HN ARG 59 0.437 4.872 -27.856 455 HA ARG 59 HA ARG 59 -2.019 4.093 -26.500 456 1HB ARG 59 HB2 ARG 59 -1.592 4.674 -29.465 457 2HB ARG 59 HB1 ARG 59 -3.107 4.790 -28.579 458 1HG ARG 59 HG1 ARG 59 -2.277 6.661 -27.277 459 2HG ARG 59 HG2 ARG 59 -0.658 6.468 -27.942 460 1HD ARG 59 HD1 ARG 59 -2.316 6.646 -30.194 461 2HD ARG 59 HD2 ARG 59 -2.961 7.849 -29.080 462 HE ARG 59 HE ARG 59 -0.466 8.621 -28.928 463 1HH1 ARG 59 HH21 ARG 59 0.850 6.973 -30.787 464 2HH1 ARG 59 HH22 ARG 59 0.669 7.762 -32.316 465 1HH2 ARG 59 HH11 ARG 59 -1.983 9.737 -31.194 466 2HH2 ARG 59 HH12 ARG 59 -0.988 9.361 -32.559 467 H PHE 60 HN PHE 60 -3.444 2.419 -27.134 468 HA PHE 60 HA PHE 60 -2.022 0.026 -28.124 469 1HB PHE 60 HB2 PHE 60 -3.647 0.104 -26.093 470 2HB PHE 60 HB1 PHE 60 -4.945 0.203 -27.280 471 HD1 PHE 60 HD1 PHE 60 -2.119 -1.900 -26.104 472 HD2 PHE 60 HD2 PHE 60 -5.605 -1.737 -28.546 473 HE1 PHE 60 HE1 PHE 60 -2.013 -4.331 -26.424 474 HE2 PHE 60 HE2 PHE 60 -5.491 -4.169 -28.867 475 HZ PHE 60 HZ PHE 60 -3.697 -5.468 -27.805 476 H SER 61 HN SER 61 -3.220 -1.435 -29.648 477 HA SER 61 HA SER 61 -3.655 -0.117 -32.131 478 1HB SER 61 HB2 SER 61 -3.112 -2.642 -31.638 479 2HB SER 61 HB1 SER 61 -4.868 -2.833 -31.467 480 HG SER 61 HG SER 61 -3.390 -2.458 -33.708 481 H GLY 62 HN GLY 62 -5.404 0.767 -33.050 482 1HA GLY 62 HA1 GLY 62 -7.755 1.049 -33.479 483 2HA GLY 62 HA2 GLY 62 -8.108 0.127 -32.022 484 H VAL 63 HN VAL 63 -5.950 1.928 -30.710 485 HA VAL 63 HA VAL 63 -7.842 3.830 -29.609 486 HB VAL 63 HB VAL 63 -4.809 3.582 -29.331 487 1HG1 VAL 63 HG12 VAL 63 -6.860 5.330 -27.960 488 2HG1 VAL 63 HG13 VAL 63 -5.367 4.879 -27.144 489 3HG1 VAL 63 HG11 VAL 63 -5.306 5.797 -28.645 490 1HG2 VAL 63 HG21 VAL 63 -6.224 1.641 -28.539 491 2HG2 VAL 63 HG22 VAL 63 -5.313 2.423 -27.252 492 3HG2 VAL 63 HG23 VAL 63 -7.033 2.749 -27.435 493 HA PRO 64 HA PRO 64 -7.229 6.798 -32.867 494 1HB PRO 64 HB2 PRO 64 -8.727 8.727 -31.300 495 2HB PRO 64 HB1 PRO 64 -9.278 7.827 -32.713 496 1HG PRO 64 HG1 PRO 64 -10.046 7.425 -29.962 497 2HG PRO 64 HG2 PRO 64 -10.589 6.519 -31.374 498 1HD PRO 64 HD1 PRO 64 -8.769 5.652 -29.301 499 2HD PRO 64 HD2 PRO 64 -9.338 4.733 -30.706 500 H ASP 65 HN ASP 65 -5.878 8.538 -33.149 501 HA ASP 65 HA ASP 65 -3.837 9.026 -31.258 502 1HB ASP 65 HB2 ASP 65 -4.831 10.825 -33.523 503 2HB ASP 65 HB1 ASP 65 -3.260 10.967 -32.739 504 NH1 ARG 66 NH1 ARG 66 -7.645 14.021 -34.525 505 NH2 ARG 66 NH2 ARG 66 -5.708 14.358 -33.383 506 H ARG 66 HN ARG 66 -7.024 10.134 -31.199 507 HA ARG 66 HA ARG 66 -6.701 12.741 -30.080 508 1HB ARG 66 HB2 ARG 66 -8.887 10.679 -29.513 509 2HB ARG 66 HB1 ARG 66 -9.017 12.410 -29.229 510 1HG ARG 66 HG1 ARG 66 -8.668 11.048 -31.922 511 2HG ARG 66 HG2 ARG 66 -10.115 11.864 -31.342 512 1HD ARG 66 HD1 ARG 66 -9.232 13.655 -32.473 513 2HD ARG 66 HD2 ARG 66 -8.275 13.850 -31.005 514 HE ARG 66 HE ARG 66 -6.722 12.121 -32.442 515 1HH1 ARG 66 HH11 ARG 66 -8.527 13.556 -34.595 516 2HH1 ARG 66 HH12 ARG 66 -7.363 14.666 -35.233 517 1HH2 ARG 66 HH21 ARG 66 -5.133 14.145 -32.594 518 2HH2 ARG 66 HH22 ARG 66 -5.392 15.011 -34.070 519 H PHE 67 HN PHE 67 -6.141 9.619 -28.759 520 HA PHE 67 HA PHE 67 -6.116 10.745 -25.995 521 1HB PHE 67 HB2 PHE 67 -6.295 7.947 -27.150 522 2HB PHE 67 HB1 PHE 67 -5.748 8.171 -25.491 523 HD1 PHE 67 HD2 PHE 67 -8.572 8.822 -27.819 524 HD2 PHE 67 HD1 PHE 67 -7.291 8.763 -23.758 525 HE1 PHE 67 HE2 PHE 67 -10.897 9.111 -27.078 526 HE2 PHE 67 HE1 PHE 67 -9.613 9.054 -23.023 527 HZ PHE 67 HZ PHE 67 -11.419 9.227 -24.681 528 H SER 68 HN SER 68 -4.246 11.308 -25.148 529 HA SER 68 HA SER 68 -1.798 9.785 -25.883 530 1HB SER 68 HB2 SER 68 -2.276 12.171 -27.126 531 2HB SER 68 HB1 SER 68 -1.493 12.768 -25.650 532 HG SER 68 HG SER 68 0.300 11.730 -26.157 533 H GLY 69 HN GLY 69 -0.838 9.159 -24.085 534 1HA GLY 69 HA1 GLY 69 -1.249 10.767 -21.598 535 2HA GLY 69 HA2 GLY 69 -0.958 9.029 -21.618 536 H SER 70 HN SER 70 0.508 11.232 -20.288 537 HA SER 70 HA SER 70 3.189 10.299 -20.968 538 1HB SER 70 HB2 SER 70 2.656 12.196 -22.653 539 2HB SER 70 HB1 SER 70 2.653 13.295 -21.258 540 HG SER 70 HG SER 70 4.740 12.972 -20.977 541 H GLY 71 HN GLY 71 4.826 11.178 -19.507 542 1HA GLY 71 HA1 GLY 71 4.226 12.890 -17.312 543 2HA GLY 71 HA2 GLY 71 3.922 11.233 -16.804 544 H SER 72 HN SER 72 5.797 12.480 -15.433 545 HA SER 72 HA SER 72 8.441 11.950 -16.650 546 1HB SER 72 HB2 SER 72 7.493 13.252 -14.057 547 2HB SER 72 HB1 SER 72 9.208 12.884 -14.332 548 HG SER 72 HG SER 72 9.086 14.752 -15.361 549 H GLY 73 HN GLY 73 7.716 11.438 -13.262 550 1HA GLY 73 HA1 GLY 73 8.106 8.503 -13.579 551 2HA GLY 73 HA2 GLY 73 9.203 9.379 -12.514 552 H THR 74 HN THR 74 7.217 11.230 -11.567 553 HA THR 74 HA THR 74 5.511 9.391 -9.937 554 HB THR 74 HB THR 74 5.748 11.312 -8.170 555 HG1 THR 74 HG1 THR 74 8.131 11.832 -9.530 556 1HG2 THR 74 HG23 THR 74 8.298 9.855 -9.049 557 2HG2 THR 74 HG21 THR 74 8.009 10.533 -7.450 558 3HG2 THR 74 HG22 THR 74 7.074 9.147 -8.001 559 H ASP 75 HN ASP 75 5.110 11.123 -12.427 560 HA ASP 75 HA ASP 75 2.455 12.080 -11.616 561 1HB ASP 75 HB2 ASP 75 4.256 13.956 -11.238 562 2HB ASP 75 HB1 ASP 75 4.316 14.055 -12.995 563 H PHE 76 HN PHE 76 1.073 11.607 -13.173 564 HA PHE 76 HA PHE 76 1.944 11.735 -16.015 565 1HB PHE 76 HB2 PHE 76 0.328 9.379 -14.958 566 2HB PHE 76 HB1 PHE 76 1.193 9.497 -16.488 567 HD1 PHE 76 HD2 PHE 76 3.658 9.278 -16.545 568 HD2 PHE 76 HD1 PHE 76 1.511 8.860 -12.890 569 HE1 PHE 76 HE2 PHE 76 5.633 8.263 -15.498 570 HE2 PHE 76 HE1 PHE 76 3.485 7.831 -11.852 571 HZ PHE 76 HZ PHE 76 5.542 7.524 -13.160 572 H THR 77 HN THR 77 0.181 11.959 -17.504 573 HA THR 77 HA THR 77 -2.514 12.305 -16.322 574 HB THR 77 HB THR 77 -0.909 14.551 -17.669 575 HG1 THR 77 HG1 THR 77 -1.206 13.764 -15.241 576 1HG2 THR 77 HG21 THR 77 -3.706 14.128 -17.942 577 2HG2 THR 77 HG22 THR 77 -3.577 15.176 -16.537 578 3HG2 THR 77 HG23 THR 77 -2.903 15.686 -18.080 579 H LEU 78 HN LEU 78 -4.167 12.029 -17.719 580 HA LEU 78 HA LEU 78 -3.434 11.149 -20.474 581 1HB LEU 78 HB2 LEU 78 -4.986 9.914 -18.551 582 2HB LEU 78 HB1 LEU 78 -6.223 10.784 -19.449 583 HG LEU 78 HG LEU 78 -5.242 9.796 -21.573 584 1HD1 LEU 78 HD13 LEU 78 -3.381 8.736 -19.554 585 2HD1 LEU 78 HD11 LEU 78 -4.007 7.503 -20.643 586 3HD1 LEU 78 HD12 LEU 78 -3.167 8.907 -21.292 587 1HD2 LEU 78 HD23 LEU 78 -6.357 7.987 -19.409 588 2HD2 LEU 78 HD21 LEU 78 -7.256 8.817 -20.675 589 3HD2 LEU 78 HD22 LEU 78 -6.183 7.483 -21.087 590 H LYS 79 HN LYS 79 -3.695 12.680 -21.985 591 HA LYS 79 HA LYS 79 -5.872 14.683 -21.565 592 1HB LYS 79 HB2 LYS 79 -3.182 14.770 -22.950 593 2HB LYS 79 HB1 LYS 79 -4.434 15.924 -23.396 594 1HG LYS 79 HG1 LYS 79 -4.566 16.114 -20.687 595 2HG LYS 79 HG2 LYS 79 -2.863 15.714 -20.883 596 1HD LYS 79 HD1 LYS 79 -2.960 17.558 -22.781 597 2HD LYS 79 HD2 LYS 79 -4.379 18.107 -21.896 598 1HE LYS 79 HE1 LYS 79 -2.607 17.712 -19.846 599 2HE LYS 79 HE2 LYS 79 -1.521 18.219 -21.136 600 1HZ LYS 79 HZ1 LYS 79 -3.583 19.718 -19.750 601 2HZ LYS 79 HZ2 LYS 79 -2.122 20.251 -20.436 602 H ILE 80 HN ILE 80 -7.167 15.320 -23.259 603 HA ILE 80 HA ILE 80 -7.137 13.576 -25.683 604 HB ILE 80 HB ILE 80 -9.561 14.495 -24.056 605 1HG1 ILE 80 HG11 ILE 80 -8.654 11.666 -24.659 606 2HG1 ILE 80 HG12 ILE 80 -8.204 12.519 -23.188 607 1HG2 ILE 80 HG21 ILE 80 -9.904 14.449 -26.574 608 2HG2 ILE 80 HG22 ILE 80 -9.428 12.753 -26.570 609 3HG2 ILE 80 HG23 ILE 80 -10.895 13.260 -25.736 610 1HD1 ILE 80 HD13 ILE 80 -10.687 12.920 -22.785 611 2HD1 ILE 80 HD11 ILE 80 -11.005 11.816 -24.119 612 3HD1 ILE 80 HD12 ILE 80 -10.185 11.236 -22.674 613 H SER 81 HN SER 81 -7.327 14.581 -27.546 614 HA SER 81 HA SER 81 -7.065 17.414 -27.559 615 1HB SER 81 HB2 SER 81 -7.717 15.482 -29.832 616 2HB SER 81 HB1 SER 81 -7.223 17.171 -30.060 617 HG SER 81 HG SER 81 -5.455 16.483 -28.498 618 NH1 ARG 82 NH2 ARG 82 -11.100 15.817 -35.162 619 NH2 ARG 82 NH1 ARG 82 -10.056 17.803 -34.790 620 H ARG 82 HN ARG 82 -9.777 15.344 -28.574 621 HA ARG 82 HA ARG 82 -11.553 17.695 -28.105 622 1HB ARG 82 HB2 ARG 82 -12.866 16.475 -30.159 623 2HB ARG 82 HB1 ARG 82 -11.685 17.748 -30.427 624 1HG ARG 82 HG1 ARG 82 -9.915 16.064 -30.758 625 2HG ARG 82 HG2 ARG 82 -11.065 14.772 -30.431 626 1HD ARG 82 HD1 ARG 82 -11.628 14.776 -32.622 627 2HD ARG 82 HD2 ARG 82 -12.245 16.416 -32.432 628 HE ARG 82 HE ARG 82 -9.357 16.388 -32.757 629 1HH1 ARG 82 HH21 ARG 82 -11.409 14.934 -34.812 630 2HH1 ARG 82 HH22 ARG 82 -11.276 16.067 -36.114 631 1HH2 ARG 82 HH11 ARG 82 -9.579 18.415 -34.161 632 2HH2 ARG 82 HH12 ARG 82 -10.215 18.084 -35.736 633 H VAL 83 HN VAL 83 -12.583 17.030 -26.322 634 HA VAL 83 HA VAL 83 -13.274 14.287 -25.795 635 HB VAL 83 HB VAL 83 -14.385 16.884 -24.625 636 1HG1 VAL 83 HG12 VAL 83 -14.665 13.970 -23.847 637 2HG1 VAL 83 HG13 VAL 83 -14.877 15.261 -22.668 638 3HG1 VAL 83 HG11 VAL 83 -15.940 15.165 -24.069 639 1HG2 VAL 83 HG21 VAL 83 -11.839 15.560 -24.379 640 2HG2 VAL 83 HG22 VAL 83 -12.393 17.016 -23.557 641 3HG2 VAL 83 HG23 VAL 83 -12.686 15.434 -22.839 642 H GLU 84 HN GLU 84 -14.758 13.156 -26.778 643 HA GLU 84 HA GLU 84 -17.126 14.554 -27.948 644 1HB GLU 84 HB2 GLU 84 -15.573 12.048 -28.643 645 2HB GLU 84 HB1 GLU 84 -17.252 12.182 -29.153 646 1HG GLU 84 HG1 GLU 84 -16.742 14.321 -30.288 647 2HG GLU 84 HG2 GLU 84 -15.065 14.202 -29.767 648 H ALA 85 HN ALA 85 -18.986 12.764 -28.187 649 HA ALA 85 HA ALA 85 -19.911 12.307 -25.490 650 1HB ALA 85 HB1 ALA 85 -20.923 11.366 -28.214 651 2HB ALA 85 HB2 ALA 85 -21.801 11.094 -26.712 652 3HB ALA 85 HB3 ALA 85 -21.522 12.735 -27.284 653 H GLU 86 HN GLU 86 -18.131 10.409 -27.761 654 HA GLU 86 HA GLU 86 -18.775 7.829 -26.584 655 1HB GLU 86 HB2 GLU 86 -16.376 8.658 -28.291 656 2HB GLU 86 HB1 GLU 86 -16.919 7.007 -28.011 657 1HG GLU 86 HG1 GLU 86 -19.189 7.780 -28.994 658 2HG GLU 86 HG2 GLU 86 -18.313 9.192 -29.576 659 H ASP 87 HN ASP 87 -16.071 10.105 -26.299 660 HA ASP 87 HA ASP 87 -14.444 8.526 -24.583 661 1HB ASP 87 HB2 ASP 87 -14.771 11.570 -24.571 662 2HB ASP 87 HB1 ASP 87 -13.377 10.680 -23.972 663 H LEU 88 HN LEU 88 -17.404 10.161 -23.977 664 HA LEU 88 HA LEU 88 -17.244 10.794 -21.245 665 1HB LEU 88 HB2 LEU 88 -19.547 9.661 -22.882 666 2HB LEU 88 HB1 LEU 88 -19.738 10.220 -21.226 667 HG LEU 88 HG LEU 88 -18.658 11.920 -23.498 668 1HD1 LEU 88 HD11 LEU 88 -21.105 11.329 -23.670 669 2HD1 LEU 88 HD12 LEU 88 -21.343 12.056 -22.083 670 3HD1 LEU 88 HD13 LEU 88 -20.814 13.050 -23.436 671 1HD2 LEU 88 HD21 LEU 88 -19.019 12.282 -20.548 672 2HD2 LEU 88 HD22 LEU 88 -17.775 12.935 -21.608 673 3HD2 LEU 88 HD23 LEU 88 -19.376 13.660 -21.581 674 H GLY 89 HN GLY 89 -17.666 9.724 -19.354 675 1HA GLY 89 HA1 GLY 89 -18.558 7.420 -18.488 676 2HA GLY 89 HA2 GLY 89 -17.238 6.775 -19.464 677 H ILE 90 HN ILE 90 -16.429 5.908 -17.418 678 HA ILE 90 HA ILE 90 -15.185 7.983 -15.665 679 HB ILE 90 HB ILE 90 -15.473 4.989 -15.132 680 1HG1 ILE 90 HG11 ILE 90 -17.326 7.272 -14.358 681 2HG1 ILE 90 HG12 ILE 90 -17.709 5.945 -15.447 682 1HG2 ILE 90 HG21 ILE 90 -13.803 6.334 -13.771 683 2HG2 ILE 90 HG22 ILE 90 -15.114 7.396 -13.271 684 3HG2 ILE 90 HG23 ILE 90 -15.115 5.705 -12.782 685 1HD1 ILE 90 HD11 ILE 90 -17.004 4.447 -13.375 686 2HD1 ILE 90 HD12 ILE 90 -17.377 5.905 -12.461 687 3HD1 ILE 90 HD13 ILE 90 -18.618 5.145 -13.451 688 OH TYR 91 OH TYR 91 -11.632 8.288 -22.351 689 H TYR 91 HN TYR 91 -12.969 7.780 -15.097 690 HA TYR 91 HA TYR 91 -11.415 6.009 -16.944 691 1HB TYR 91 HB2 TYR 91 -11.160 8.929 -16.272 692 2HB TYR 91 HB1 TYR 91 -9.668 8.031 -16.546 693 HD1 TYR 91 HD2 TYR 91 -12.922 8.957 -18.070 694 HD2 TYR 91 HD1 TYR 91 -9.061 7.309 -18.756 695 HE1 TYR 91 HE2 TYR 91 -13.314 9.046 -20.488 696 HE2 TYR 91 HE1 TYR 91 -9.452 7.401 -21.177 697 HH TYR 91 HH TYR 91 -12.580 8.221 -22.497 698 H PHE 92 HN PHE 92 -9.512 5.122 -16.187 699 HA PHE 92 HA PHE 92 -8.842 5.550 -13.318 700 1HB PHE 92 HB2 PHE 92 -9.451 2.868 -14.652 701 2HB PHE 92 HB1 PHE 92 -8.694 3.014 -13.069 702 HD1 PHE 92 HD1 PHE 92 -9.976 3.932 -11.153 703 HD2 PHE 92 HD2 PHE 92 -11.814 3.366 -14.954 704 HE1 PHE 92 HE1 PHE 92 -12.192 4.121 -10.113 705 HE2 PHE 92 HE2 PHE 92 -14.027 3.564 -13.911 706 HZ PHE 92 HZ PHE 92 -14.219 3.940 -11.491 707 H CYS 93 HN CYS 93 -6.756 4.570 -12.734 708 HA CYS 93 HA CYS 93 -4.980 3.959 -15.028 709 1HB CYS 93 HB2 CYS 93 -3.282 5.589 -13.997 710 2HB CYS 93 HB1 CYS 93 -4.610 6.301 -14.871 711 H SER 94 HN SER 94 -3.747 2.279 -14.539 712 HA SER 94 HA SER 94 -3.154 1.761 -11.647 713 1HB SER 94 HB2 SER 94 -3.221 -0.684 -12.251 714 2HB SER 94 HB1 SER 94 -4.755 0.093 -12.686 715 HG SER 94 HG SER 94 -2.546 -0.037 -14.462 716 H GLN 95 HN GLN 95 -1.151 0.518 -11.273 717 HA GLN 95 HA GLN 95 0.850 1.014 -13.442 718 1HB GLN 95 HB2 GLN 95 2.499 1.444 -11.516 719 2HB GLN 95 HB1 GLN 95 1.275 2.685 -11.740 720 1HG GLN 95 HG1 GLN 95 1.083 2.359 -9.450 721 2HG GLN 95 HG2 GLN 95 -0.086 1.173 -10.010 722 1HE2 GLN 95 HE22 GLN 95 3.588 -0.368 -8.999 723 2HE2 GLN 95 HE21 GLN 95 3.523 1.041 -9.942 724 H THR 96 HN THR 96 2.570 -0.420 -13.583 725 HA THR 96 HA THR 96 2.219 -2.950 -12.028 726 HB THR 96 HB THR 96 3.025 -2.675 -14.987 727 HG1 THR 96 HG1 THR 96 0.903 -2.356 -14.950 728 1HG2 THR 96 HG23 THR 96 2.512 -5.001 -13.069 729 2HG2 THR 96 HG21 THR 96 2.257 -5.197 -14.800 730 3HG2 THR 96 HG22 THR 96 3.861 -4.815 -14.185 731 H THR 97 HN THR 97 3.887 -1.158 -11.012 732 HA THR 97 HA THR 97 6.615 -1.970 -11.924 733 HB THR 97 HB THR 97 6.534 0.154 -9.863 734 HG1 THR 97 HG1 THR 97 5.577 1.427 -11.893 735 1HG2 THR 97 HG22 THR 97 8.187 -0.469 -11.972 736 2HG2 THR 97 HG23 THR 97 7.145 0.711 -12.762 737 3HG2 THR 97 HG21 THR 97 8.072 1.170 -11.338 738 H HIS 98 HN HIS 98 4.733 -1.395 -8.965 739 HA HIS 98 HA HIS 98 6.550 -3.311 -7.559 740 1HB HIS 98 HB2 HIS 98 4.840 -0.994 -6.548 741 2HB HIS 98 HB1 HIS 98 5.623 -2.144 -5.466 742 HD2 HIS 98 HD2 HIS 98 6.523 0.843 -7.801 743 HE1 HIS 98 HE1 HIS 98 10.004 -0.427 -5.969 744 H VAL 99 HN VAL 99 5.531 -4.609 -5.856 745 HA VAL 99 HA VAL 99 2.745 -5.382 -6.620 746 HB VAL 99 HB VAL 99 4.490 -7.087 -7.195 747 1HG1 VAL 99 HG13 VAL 99 6.054 -6.367 -5.330 748 2HG1 VAL 99 HG11 VAL 99 5.014 -7.243 -4.211 749 3HG1 VAL 99 HG12 VAL 99 5.859 -8.109 -5.489 750 1HG2 VAL 99 HG22 VAL 99 2.618 -7.784 -4.912 751 2HG2 VAL 99 HG23 VAL 99 2.341 -8.013 -6.636 752 3HG2 VAL 99 HG21 VAL 99 3.538 -8.994 -5.798 753 HA PRO 100 HA PRO 100 1.174 -6.523 -5.947 754 1HB PRO 100 HB2 PRO 100 -1.241 -5.473 -4.861 755 2HB PRO 100 HB1 PRO 100 -0.641 -7.119 -4.657 756 1HG PRO 100 HG1 PRO 100 -0.769 -4.986 -2.676 757 2HG PRO 100 HG2 PRO 100 -0.319 -6.675 -2.436 758 1HD PRO 100 HD1 PRO 100 1.425 -4.363 -2.529 759 2HD PRO 100 HD2 PRO 100 1.873 -6.054 -2.242 760 HA PRO 101 HA PRO 101 0.669 -2.942 -8.422 761 1HB PRO 101 HB2 PRO 101 -1.678 -3.917 -9.808 762 2HB PRO 101 HB1 PRO 101 -0.006 -3.981 -10.367 763 1HG PRO 101 HG1 PRO 101 -1.649 -6.172 -9.435 764 2HG PRO 101 HG2 PRO 101 0.013 -6.242 -10.020 765 1HD PRO 101 HD1 PRO 101 -0.919 -6.502 -7.295 766 2HD PRO 101 HD2 PRO 101 0.750 -6.589 -7.887 767 H THR 102 HN THR 102 -0.174 -1.084 -7.702 768 HA THR 102 HA THR 102 -2.795 -1.086 -6.333 769 HB THR 102 HB THR 102 -2.105 1.328 -5.776 770 HG1 THR 102 HG1 THR 102 -0.642 0.872 -7.877 771 1HG2 THR 102 HG21 THR 102 -1.158 -0.882 -4.543 772 2HG2 THR 102 HG22 THR 102 0.340 -0.422 -5.345 773 3HG2 THR 102 HG23 THR 102 -0.423 0.682 -4.205 774 H PHE 103 HN PHE 103 -4.600 -0.162 -7.106 775 HA PHE 103 HA PHE 103 -4.597 0.682 -9.926 776 1HB PHE 103 HB2 PHE 103 -6.621 -0.109 -7.858 777 2HB PHE 103 HB1 PHE 103 -7.183 1.017 -9.091 778 HD1 PHE 103 HD2 PHE 103 -5.250 -2.184 -8.779 779 HD2 PHE 103 HD1 PHE 103 -7.922 0.144 -11.142 780 HE1 PHE 103 HE2 PHE 103 -5.451 -4.035 -10.382 781 HE2 PHE 103 HE1 PHE 103 -8.119 -1.707 -12.742 782 HZ PHE 103 HZ PHE 103 -6.883 -3.798 -12.365 783 H GLY 104 HN GLY 104 -6.183 2.607 -10.378 784 1HA GLY 104 HA1 GLY 104 -5.031 4.929 -8.965 785 2HA GLY 104 HA2 GLY 104 -5.999 4.994 -10.434 786 H GLY 105 HN GLY 105 -7.094 6.762 -9.309 787 1HA GLY 105 HA1 GLY 105 -8.801 6.042 -7.018 788 2HA GLY 105 HA2 GLY 105 -8.682 7.636 -7.752 789 H GLY 106 HN GLY 106 -9.757 7.940 -9.853 790 1HA GLY 106 HA1 GLY 106 -11.377 6.433 -11.362 791 2HA GLY 106 HA2 GLY 106 -12.337 6.478 -9.883 792 H THR 107 HN THR 107 -11.221 8.250 -12.620 793 HA THR 107 HA THR 107 -12.457 10.770 -11.680 794 HB THR 107 HB THR 107 -11.014 10.057 -14.297 795 HG1 THR 107 HG1 THR 107 -10.129 11.633 -12.132 796 1HG2 THR 107 HG22 THR 107 -12.103 12.623 -13.061 797 2HG2 THR 107 HG23 THR 107 -10.641 12.695 -14.039 798 3HG2 THR 107 HG21 THR 107 -12.151 12.135 -14.752 799 H LYS 108 HN LYS 108 -14.550 11.083 -11.992 800 HA LYS 108 HA LYS 108 -16.003 9.536 -14.027 801 1HB LYS 108 HB2 LYS 108 -16.781 11.493 -11.840 802 2HB LYS 108 HB1 LYS 108 -17.962 10.961 -13.033 803 1HG LYS 108 HG1 LYS 108 -17.666 8.645 -12.403 804 2HG LYS 108 HG2 LYS 108 -16.283 9.040 -11.389 805 1HD LYS 108 HD1 LYS 108 -17.732 9.240 -9.666 806 2HD LYS 108 HD2 LYS 108 -18.319 10.705 -10.440 807 1HE LYS 108 HE1 LYS 108 -20.165 9.640 -11.376 808 2HE LYS 108 HE2 LYS 108 -19.379 8.066 -11.396 809 1HZ LYS 108 HZ1 LYS 108 -21.017 8.025 -9.711 810 2HZ LYS 108 HZ2 LYS 108 -19.512 8.109 -8.922 811 H LEU 109 HN LEU 109 -16.035 10.228 -16.053 812 HA LEU 109 HA LEU 109 -15.913 13.165 -16.575 813 1HB LEU 109 HB2 LEU 109 -14.291 11.255 -17.583 814 2HB LEU 109 HB1 LEU 109 -15.593 11.108 -18.756 815 HG LEU 109 HG LEU 109 -15.078 13.905 -18.346 816 1HD1 LEU 109 HD11 LEU 109 -12.637 12.178 -18.879 817 2HD1 LEU 109 HD12 LEU 109 -12.707 13.900 -19.240 818 3HD1 LEU 109 HD13 LEU 109 -12.849 13.343 -17.576 819 1HD2 LEU 109 HD21 LEU 109 -14.511 12.028 -20.670 820 2HD2 LEU 109 HD22 LEU 109 -16.025 12.880 -20.382 821 3HD2 LEU 109 HD23 LEU 109 -14.568 13.785 -20.778 822 H GLU 110 HN GLU 110 -18.070 13.673 -16.361 823 HA GLU 110 HA GLU 110 -19.882 12.407 -18.380 824 1HB GLU 110 HB2 GLU 110 -20.324 13.366 -15.546 825 2HB GLU 110 HB1 GLU 110 -21.674 13.405 -16.676 826 1HG GLU 110 HG1 GLU 110 -21.338 10.998 -17.161 827 2HG GLU 110 HG2 GLU 110 -19.987 10.958 -16.033 828 H ILE 111 HN ILE 111 -21.001 13.694 -19.728 829 HA ILE 111 HA ILE 111 -20.095 16.379 -20.154 830 HB ILE 111 HB ILE 111 -21.046 14.837 -21.913 831 1HG1 ILE 111 HG11 ILE 111 -22.514 17.482 -21.611 832 2HG1 ILE 111 HG12 ILE 111 -20.894 17.297 -22.278 833 1HG2 ILE 111 HG22 ILE 111 -23.005 14.354 -20.149 834 2HG2 ILE 111 HG23 ILE 111 -23.777 15.702 -20.971 835 3HG2 ILE 111 HG21 ILE 111 -23.327 14.259 -21.877 836 1HD1 ILE 111 HD11 ILE 111 -21.931 15.644 -23.946 837 2HD1 ILE 111 HD12 ILE 111 -23.499 16.231 -23.398 838 3HD1 ILE 111 HD13 ILE 111 -22.366 17.337 -24.167 839 H LYS 112 HN LYS 112 -21.333 18.332 -20.060 840 HA LYS 112 HA LYS 112 -22.568 18.816 -17.568 841 1HB LYS 112 HB2 LYS 112 -22.208 20.245 -20.130 842 2HB LYS 112 HB1 LYS 112 -23.685 20.718 -19.296 843 1HG LYS 112 HG1 LYS 112 -22.340 21.079 -17.213 844 2HG LYS 112 HG2 LYS 112 -20.881 20.719 -18.129 845 1HD LYS 112 HD1 LYS 112 -21.762 22.577 -19.763 846 2HD LYS 112 HD2 LYS 112 -22.742 23.075 -18.388 847 1HE LYS 112 HE1 LYS 112 -20.695 24.327 -18.246 848 2HE LYS 112 HE2 LYS 112 -20.598 23.078 -17.009 849 1HZ LYS 112 HZ1 LYS 112 -19.599 22.100 -19.470 850 2HZ LYS 112 HZ2 LYS 112 -18.805 23.546 -19.054 851 NH1 ARG 113 NH1 ARG 113 -27.568 12.922 -19.059 852 NH2 ARG 113 NH2 ARG 113 -28.476 11.946 -17.215 853 H ARG 113 HN ARG 113 -24.741 19.192 -16.980 854 HA ARG 113 HA ARG 113 -26.824 18.157 -18.834 855 1HB ARG 113 HB2 ARG 113 -26.178 17.137 -16.036 856 2HB ARG 113 HB1 ARG 113 -27.761 16.887 -16.763 857 1HG ARG 113 HG1 ARG 113 -26.691 15.754 -18.693 858 2HG ARG 113 HG2 ARG 113 -25.111 15.996 -17.956 859 1HD ARG 113 HD1 ARG 113 -25.638 13.817 -17.253 860 2HD ARG 113 HD2 ARG 113 -26.196 14.779 -15.884 861 HE ARG 113 HE ARG 113 -28.502 14.550 -16.773 862 1HH1 ARG 113 HH11 ARG 113 -27.151 13.726 -19.482 863 2HH1 ARG 113 HH12 ARG 113 -27.708 12.091 -19.595 864 1HH2 ARG 113 HH21 ARG 113 -28.741 12.016 -16.254 865 2HH2 ARG 113 HH22 ARG 113 -28.632 11.096 -17.716 Start of MODEL 15 Raw file had 865 H/Q atoms Start of MODEL 15 1 1H ASP 1 HT3 ASP 1 1.799 2.652 -5.854 2 2H ASP 1 HT1 ASP 1 1.213 1.065 -5.701 3 3H ASP 1 HT2 ASP 1 0.172 2.382 -5.443 4 HA ASP 1 HA ASP 1 0.843 2.702 -3.354 5 1HB ASP 1 HB2 ASP 1 2.400 0.123 -3.450 6 2HB ASP 1 HB1 ASP 1 1.215 0.654 -2.260 7 H VAL 2 HN VAL 2 2.802 2.239 -1.748 8 HA VAL 2 HA VAL 2 4.796 4.058 -2.664 9 HB VAL 2 HB VAL 2 4.873 2.149 -0.278 10 1HG1 VAL 2 HG12 VAL 2 6.504 4.577 -1.057 11 2HG1 VAL 2 HG13 VAL 2 6.371 4.062 0.622 12 3HG1 VAL 2 HG11 VAL 2 7.083 2.986 -0.576 13 1HG2 VAL 2 HG21 VAL 2 3.572 4.802 -0.778 14 2HG2 VAL 2 HG22 VAL 2 3.004 3.445 0.192 15 3HG2 VAL 2 HG23 VAL 2 4.259 4.511 0.816 16 H VAL 3 HN VAL 3 7.037 3.685 -3.006 17 HA VAL 3 HA VAL 3 7.568 1.040 -4.249 18 HB VAL 3 HB VAL 3 9.354 3.505 -4.312 19 1HG1 VAL 3 HG12 VAL 3 9.042 0.982 -5.927 20 2HG1 VAL 3 HG13 VAL 3 9.724 2.421 -6.680 21 3HG1 VAL 3 HG11 VAL 3 10.510 1.706 -5.276 22 1HG2 VAL 3 HG21 VAL 3 6.857 2.889 -5.902 23 2HG2 VAL 3 HG22 VAL 3 7.290 4.388 -5.085 24 3HG2 VAL 3 HG23 VAL 3 8.127 3.916 -6.561 25 H MET 4 HN MET 4 9.800 0.171 -4.009 26 HA MET 4 HA MET 4 11.139 0.836 -1.464 27 1HB MET 4 HB2 MET 4 9.449 -1.557 -1.916 28 2HB MET 4 HB1 MET 4 11.057 -1.941 -1.311 29 1HG MET 4 HG1 MET 4 9.090 0.004 -0.090 30 2HG MET 4 HG2 MET 4 9.503 -1.570 0.541 31 1HE MET 4 HE3 MET 4 9.299 0.283 2.502 32 2HE MET 4 HE1 MET 4 10.285 -1.113 2.942 33 3HE MET 4 HE2 MET 4 10.824 0.514 3.357 34 H THR 5 HN THR 5 13.175 1.039 -1.994 35 HA THR 5 HA THR 5 14.309 -0.590 -4.201 36 HB THR 5 HB THR 5 15.600 1.706 -2.606 37 HG1 THR 5 HG1 THR 5 14.096 1.593 -5.023 38 1HG2 THR 5 HG23 THR 5 16.120 0.362 -5.313 39 2HG2 THR 5 HG21 THR 5 16.784 1.941 -4.906 40 3HG2 THR 5 HG22 THR 5 17.265 0.519 -3.985 41 H GLN 6 HN GLN 6 15.945 -2.058 -3.901 42 HA GLN 6 HA GLN 6 16.887 -2.445 -1.087 43 1HB GLN 6 HB2 GLN 6 15.570 -4.348 -2.994 44 2HB GLN 6 HB1 GLN 6 16.892 -4.999 -2.031 45 1HG GLN 6 HG1 GLN 6 15.139 -3.346 -0.393 46 2HG GLN 6 HG2 GLN 6 14.226 -4.622 -1.190 47 1HE2 GLN 6 HE22 GLN 6 15.272 -6.627 1.538 48 2HE2 GLN 6 HE21 GLN 6 13.970 -5.802 0.826 49 H THR 7 HN THR 7 18.998 -2.688 -0.848 50 HA THR 7 HA THR 7 20.713 -3.806 -2.935 51 HB THR 7 HB THR 7 21.982 -1.281 -2.409 52 HG1 THR 7 HG1 THR 7 19.732 -0.817 -1.719 53 1HG2 THR 7 HG23 THR 7 21.622 -2.708 -4.656 54 2HG2 THR 7 HG21 THR 7 20.169 -1.729 -4.815 55 3HG2 THR 7 HG22 THR 7 21.750 -0.957 -4.779 56 HA PRO 8 HA PRO 8 22.900 -3.430 -3.321 57 1HB PRO 8 HB2 PRO 8 24.948 -5.339 -2.917 58 2HB PRO 8 HB1 PRO 8 25.175 -3.589 -2.913 59 1HG PRO 8 HG1 PRO 8 25.273 -5.446 -0.654 60 2HG PRO 8 HG2 PRO 8 25.730 -3.743 -0.695 61 1HD PRO 8 HD1 PRO 8 23.328 -4.911 0.423 62 2HD PRO 8 HD2 PRO 8 23.801 -3.202 0.408 63 H LEU 9 HN LEU 9 23.297 -5.384 -4.839 64 HA LEU 9 HA LEU 9 21.122 -7.278 -4.371 65 1HB LEU 9 HB2 LEU 9 23.101 -6.697 -6.588 66 2HB LEU 9 HB1 LEU 9 22.262 -8.243 -6.607 67 HG LEU 9 HG LEU 9 21.061 -6.474 -7.912 68 1HD1 LEU 9 HD12 LEU 9 19.991 -8.402 -6.397 69 2HD1 LEU 9 HD13 LEU 9 19.334 -7.021 -5.524 70 3HD1 LEU 9 HD11 LEU 9 18.975 -7.234 -7.234 71 1HD2 LEU 9 HD22 LEU 9 21.783 -4.606 -6.345 72 2HD2 LEU 9 HD23 LEU 9 20.078 -4.579 -6.779 73 3HD2 LEU 9 HD21 LEU 9 20.575 -5.189 -5.205 74 H SER 10 HN SER 10 24.640 -7.433 -4.593 75 HA SER 10 HA SER 10 24.524 -10.097 -3.231 76 1HB SER 10 HB2 SER 10 26.238 -9.111 -5.553 77 2HB SER 10 HB1 SER 10 26.777 -10.466 -4.542 78 HG SER 10 HG SER 10 25.312 -11.663 -5.454 79 H LEU 11 HN LEU 11 26.068 -10.454 -1.626 80 HA LEU 11 HA LEU 11 27.920 -8.186 -1.045 81 1HB LEU 11 HB2 LEU 11 25.673 -8.265 0.340 82 2HB LEU 11 HB1 LEU 11 26.427 -9.612 1.181 83 HG LEU 11 HG LEU 11 28.489 -7.902 1.300 84 1HD1 LEU 11 HD12 LEU 11 27.218 -6.178 -0.019 85 2HD1 LEU 11 HD13 LEU 11 26.056 -6.083 1.302 86 3HD1 LEU 11 HD11 LEU 11 27.729 -5.600 1.564 87 1HD2 LEU 11 HD21 LEU 11 26.027 -7.907 3.074 88 2HD2 LEU 11 HD22 LEU 11 27.493 -8.861 3.284 89 3HD2 LEU 11 HD23 LEU 11 27.537 -7.116 3.517 90 HA PRO 12 HA PRO 12 30.066 -12.252 -0.861 91 1HB PRO 12 HB2 PRO 12 32.363 -10.975 -2.046 92 2HB PRO 12 HB1 PRO 12 31.273 -12.127 -2.817 93 1HG PRO 12 HG1 PRO 12 31.485 -9.277 -3.299 94 2HG PRO 12 HG2 PRO 12 30.449 -10.443 -4.120 95 1HD PRO 12 HD1 PRO 12 29.673 -8.438 -2.189 96 2HD PRO 12 HD2 PRO 12 28.630 -9.606 -3.023 97 H VAL 13 HN VAL 13 30.698 -12.485 1.207 98 HA VAL 13 HA VAL 13 32.911 -10.746 2.197 99 HB VAL 13 HB VAL 13 31.780 -10.488 4.375 100 1HG1 VAL 13 HG13 VAL 13 31.161 -9.014 2.306 101 2HG1 VAL 13 HG11 VAL 13 29.630 -9.881 2.348 102 3HG1 VAL 13 HG12 VAL 13 30.136 -8.924 3.735 103 1HG2 VAL 13 HG21 VAL 13 29.664 -12.256 3.102 104 2HG2 VAL 13 HG22 VAL 13 30.615 -12.602 4.545 105 3HG2 VAL 13 HG23 VAL 13 29.389 -11.337 4.578 106 H SER 14 HN SER 14 33.593 -11.655 4.474 107 HA SER 14 HA SER 14 33.915 -14.605 4.116 108 1HB SER 14 HB2 SER 14 35.955 -14.091 5.750 109 2HB SER 14 HB1 SER 14 36.112 -13.611 4.049 110 HG SER 14 HG SER 14 36.482 -11.755 5.124 111 H LEU 15 HN LEU 15 34.442 -15.667 6.352 112 HA LEU 15 HA LEU 15 32.136 -15.024 8.060 113 1HB LEU 15 HB2 LEU 15 34.186 -17.263 8.012 114 2HB LEU 15 HB1 LEU 15 33.019 -17.092 9.318 115 HG LEU 15 HG LEU 15 32.022 -16.994 6.489 116 1HD1 LEU 15 HD12 LEU 15 33.193 -19.358 7.880 117 2HD1 LEU 15 HD13 LEU 15 31.670 -19.610 7.034 118 3HD1 LEU 15 HD11 LEU 15 33.076 -19.014 6.157 119 1HD2 LEU 15 HD22 LEU 15 30.740 -16.679 8.801 120 2HD2 LEU 15 HD23 LEU 15 29.985 -17.550 7.470 121 3HD2 LEU 15 HD21 LEU 15 30.743 -18.439 8.787 122 H GLY 16 HN GLY 16 32.773 -13.070 8.934 123 1HA GLY 16 HA1 GLY 16 33.602 -12.753 11.433 124 2HA GLY 16 HA2 GLY 16 35.170 -13.061 10.696 125 H ASP 17 HN ASP 17 32.334 -11.130 9.743 126 HA ASP 17 HA ASP 17 33.914 -8.658 9.956 127 1HB ASP 17 HB2 ASP 17 33.958 -10.030 7.528 128 2HB ASP 17 HB1 ASP 17 32.639 -8.888 7.285 129 H GLN 18 HN GLN 18 32.473 -6.799 8.921 130 HA GLN 18 HA GLN 18 29.798 -7.144 10.187 131 1HB GLN 18 HB2 GLN 18 31.476 -4.720 9.426 132 2HB GLN 18 HB1 GLN 18 29.802 -4.568 9.946 133 1HG GLN 18 HG1 GLN 18 30.273 -5.313 12.126 134 2HG GLN 18 HG2 GLN 18 31.743 -6.145 11.629 135 1HE2 GLN 18 HE22 GLN 18 32.271 -2.105 11.422 136 2HE2 GLN 18 HE21 GLN 18 31.064 -2.864 10.501 137 H ALA 19 HN ALA 19 27.916 -6.803 9.105 138 HA ALA 19 HA ALA 19 28.152 -6.378 6.150 139 1HB ALA 19 HB1 ALA 19 26.951 -8.487 7.614 140 2HB ALA 19 HB2 ALA 19 25.599 -7.510 7.053 141 3HB ALA 19 HB3 ALA 19 26.747 -8.173 5.895 142 H SER 20 HN SER 20 26.177 -5.355 5.163 143 HA SER 20 HA SER 20 24.527 -3.709 6.938 144 1HB SER 20 HB2 SER 20 25.431 -1.584 5.588 145 2HB SER 20 HB1 SER 20 26.378 -2.190 6.960 146 HG SER 20 HG SER 20 27.866 -2.787 5.605 147 H ILE 21 HN ILE 21 22.775 -4.662 5.852 148 HA ILE 21 HA ILE 21 22.580 -4.443 2.935 149 HB ILE 21 HB ILE 21 20.371 -5.090 4.951 150 1HG1 ILE 21 HG11 ILE 21 22.037 -7.139 3.485 151 2HG1 ILE 21 HG12 ILE 21 22.550 -6.513 5.047 152 1HG2 ILE 21 HG22 ILE 21 20.696 -5.154 1.976 153 2HG2 ILE 21 HG23 ILE 21 19.942 -6.587 2.665 154 3HG2 ILE 21 HG21 ILE 21 19.223 -5.000 2.927 155 1HD1 ILE 21 HD12 ILE 21 19.728 -7.498 4.701 156 2HD1 ILE 21 HD13 ILE 21 21.030 -8.655 4.960 157 3HD1 ILE 21 HD11 ILE 21 20.702 -7.415 6.163 158 H SER 22 HN SER 22 21.021 -3.156 1.832 159 HA SER 22 HA SER 22 20.150 -0.767 3.408 160 1HB SER 22 HB2 SER 22 20.930 -0.763 0.445 161 2HB SER 22 HB1 SER 22 20.716 0.642 1.508 162 HG SER 22 HG SER 22 22.569 -1.463 1.973 163 H CYS 23 HN CYS 23 18.161 0.020 3.102 164 HA CYS 23 HA CYS 23 16.443 -0.982 0.912 165 1HB CYS 23 HB2 CYS 23 16.155 -2.625 2.735 166 2HB CYS 23 HB1 CYS 23 15.870 -1.346 3.884 167 NH1 ARG 24 NH1 ARG 24 17.547 7.535 -1.255 168 NH2 ARG 24 NH2 ARG 24 19.703 7.006 -0.764 169 H ARG 24 HN ARG 24 15.752 0.916 0.093 170 HA ARG 24 HA ARG 24 14.960 3.065 2.025 171 1HB ARG 24 HB2 ARG 24 15.582 3.431 -0.932 172 2HB ARG 24 HB1 ARG 24 15.509 4.674 0.312 173 1HG ARG 24 HG1 ARG 24 17.478 3.694 1.420 174 2HG ARG 24 HG2 ARG 24 17.554 2.435 0.191 175 1HD ARG 24 HD1 ARG 24 19.097 4.067 -0.586 176 2HD ARG 24 HD2 ARG 24 17.636 4.402 -1.516 177 HE ARG 24 HE ARG 24 17.690 5.920 0.957 178 1HH1 ARG 24 HH11 ARG 24 16.574 7.334 -1.152 179 2HH1 ARG 24 HH12 ARG 24 17.841 8.313 -1.808 180 1HH2 ARG 24 HH21 ARG 24 20.348 6.409 -0.292 181 2HH2 ARG 24 HH22 ARG 24 20.036 7.774 -1.307 182 H SER 25 HN SER 25 13.246 4.487 1.335 183 HA SER 25 HA SER 25 11.236 3.174 -0.441 184 1HB SER 25 HB2 SER 25 9.466 3.782 1.247 185 2HB SER 25 HB1 SER 25 10.686 2.733 1.993 186 HG SER 25 HG SER 25 10.236 5.464 2.310 187 H SER 26 HN SER 26 9.863 4.583 -1.542 188 HA SER 26 HA SER 26 10.953 7.139 -2.211 189 1HB SER 26 HB2 SER 26 8.152 5.969 -2.619 190 2HB SER 26 HB1 SER 26 8.730 7.453 -3.402 191 HG SER 26 HG SER 26 9.408 5.958 -4.796 192 H GLN 27 HN GLN 27 8.302 6.217 -0.069 193 HA GLN 27 HA GLN 27 8.226 9.038 0.917 194 1HB GLN 27 HB2 GLN 27 6.157 7.715 -0.212 195 2HB GLN 27 HB1 GLN 27 5.978 7.101 1.427 196 1HG GLN 27 HG1 GLN 27 5.832 9.371 2.311 197 2HG GLN 27 HG2 GLN 27 6.177 10.048 0.722 198 1HE2 GLN 27 HE22 GLN 27 2.509 8.272 1.296 199 2HE2 GLN 27 HE21 GLN 27 3.847 7.702 2.170 200 H SER 28 HN SER 28 7.770 9.300 3.211 201 HA SER 28 HA SER 28 9.384 7.527 4.829 202 1HB SER 28 HB2 SER 28 8.346 8.996 6.733 203 2HB SER 28 HB1 SER 28 9.255 9.874 5.488 204 HG SER 28 HG SER 28 6.485 9.299 5.272 205 H LEU 29 HN LEU 29 8.808 5.771 5.945 206 HA LEU 29 HA LEU 29 5.987 4.911 5.862 207 1HB LEU 29 HB2 LEU 29 8.413 3.516 7.079 208 2HB LEU 29 HB1 LEU 29 6.868 2.769 6.706 209 HG LEU 29 HG LEU 29 8.564 4.108 4.579 210 1HD1 LEU 29 HD13 LEU 29 9.808 2.244 5.727 211 2HD1 LEU 29 HD11 LEU 29 8.485 1.160 5.307 212 3HD1 LEU 29 HD12 LEU 29 9.450 1.907 4.037 213 1HD2 LEU 29 HD23 LEU 29 6.253 2.137 4.578 214 2HD2 LEU 29 HD21 LEU 29 6.261 3.767 3.916 215 3HD2 LEU 29 HD22 LEU 29 7.208 2.499 3.145 216 H VAL 30 HN VAL 30 6.632 7.169 7.534 217 HA VAL 30 HA VAL 30 6.590 6.195 10.304 218 HB VAL 30 HB VAL 30 6.170 8.985 9.123 219 1HG1 VAL 30 HG11 VAL 30 6.465 7.970 11.960 220 2HG1 VAL 30 HG12 VAL 30 6.829 9.639 11.530 221 3HG1 VAL 30 HG13 VAL 30 5.201 9.006 11.304 222 1HG2 VAL 30 HG23 VAL 30 8.448 7.710 8.875 223 2HG2 VAL 30 HG21 VAL 30 8.469 9.365 9.476 224 3HG2 VAL 30 HG22 VAL 30 8.616 8.018 10.600 225 H HIS 31 HN HIS 31 4.849 6.336 11.732 226 HA HIS 31 HA HIS 31 2.203 6.340 10.382 227 1HB HIS 31 HB2 HIS 31 3.277 4.592 12.190 228 2HB HIS 31 HB1 HIS 31 2.427 5.676 13.287 229 HD2 HIS 31 HD2 HIS 31 1.694 2.842 10.796 230 HE1 HIS 31 HE1 HIS 31 -1.953 4.465 11.874 231 H SER 32 HN SER 32 0.362 7.233 11.662 232 HA SER 32 HA SER 32 0.904 10.028 12.264 233 1HB SER 32 HB2 SER 32 -1.210 9.210 11.136 234 2HB SER 32 HB1 SER 32 -1.679 8.427 12.658 235 HG SER 32 HG SER 32 -1.538 10.442 13.677 236 H ASN 33 HN ASN 33 2.429 9.241 14.080 237 HA ASN 33 HA ASN 33 1.234 9.972 16.582 238 1HB ASN 33 HB2 ASN 33 1.900 7.576 17.604 239 2HB ASN 33 HB1 ASN 33 0.308 7.831 16.898 240 1HD2 ASN 33 HD22 ASN 33 3.042 5.508 14.930 241 2HD2 ASN 33 HD21 ASN 33 3.551 6.525 16.188 242 H GLY 34 HN GLY 34 3.878 8.512 14.837 243 1HA GLY 34 HA1 GLY 34 6.074 9.730 15.182 244 2HA GLY 34 HA2 GLY 34 5.758 9.594 16.908 245 H ASN 35 HN ASN 35 5.066 7.043 14.615 246 HA ASN 35 HA ASN 35 7.424 5.523 15.645 247 1HB ASN 35 HB2 ASN 35 4.511 4.639 15.469 248 2HB ASN 35 HB1 ASN 35 5.828 3.482 15.598 249 1HD2 ASN 35 HD22 ASN 35 5.207 5.991 18.803 250 2HD2 ASN 35 HD21 ASN 35 4.885 6.563 17.240 251 H THR 36 HN THR 36 8.550 4.489 14.121 252 HA THR 36 HA THR 36 7.748 4.770 11.326 253 HB THR 36 HB THR 36 10.100 3.083 12.308 254 HG1 THR 36 HG1 THR 36 11.171 5.130 12.449 255 1HG2 THR 36 HG23 THR 36 9.554 5.011 9.989 256 2HG2 THR 36 HG21 THR 36 11.170 4.425 10.369 257 3HG2 THR 36 HG22 THR 36 9.921 3.294 9.856 258 OH TYR 37 OH TYR 37 1.520 0.846 13.875 259 H TYR 37 HN TYR 37 7.471 3.038 9.837 260 HA TYR 37 HA TYR 37 6.672 0.457 11.124 261 1HB TYR 37 HB2 TYR 37 5.242 2.265 9.211 262 2HB TYR 37 HB1 TYR 37 5.088 0.537 8.899 263 HD1 TYR 37 HD2 TYR 37 5.064 2.823 11.881 264 HD2 TYR 37 HD1 TYR 37 3.280 -0.510 9.930 265 HE1 TYR 37 HE2 TYR 37 3.437 2.628 13.702 266 HE2 TYR 37 HE1 TYR 37 1.649 -0.700 11.751 267 HH TYR 37 HH TYR 37 1.139 -0.033 13.842 268 H LEU 38 HN LEU 38 8.657 -0.497 10.627 269 HA LEU 38 HA LEU 38 8.803 -1.565 7.894 270 1HB LEU 38 HB2 LEU 38 10.134 0.536 7.737 271 2HB LEU 38 HB1 LEU 38 11.095 0.043 9.126 272 HG LEU 38 HG LEU 38 11.039 -2.083 7.150 273 1HD1 LEU 38 HD11 LEU 38 11.557 0.706 6.192 274 2HD1 LEU 38 HD12 LEU 38 12.599 -0.580 5.593 275 3HD1 LEU 38 HD13 LEU 38 10.859 -0.663 5.329 276 1HD2 LEU 38 HD23 LEU 38 12.711 -1.639 9.021 277 2HD2 LEU 38 HD21 LEU 38 13.431 -1.985 7.451 278 3HD2 LEU 38 HD22 LEU 38 13.348 -0.326 8.037 279 H ASN 39 HN ASN 39 9.564 -3.607 7.912 280 HA ASN 39 HA ASN 39 11.018 -4.505 10.365 281 1HB ASN 39 HB2 ASN 39 9.709 -6.660 10.159 282 2HB ASN 39 HB1 ASN 39 8.678 -5.272 10.491 283 1HD2 ASN 39 HD22 ASN 39 8.141 -7.366 7.101 284 2HD2 ASN 39 HD21 ASN 39 9.210 -7.864 8.320 285 CH2 TRP 40 CH2 TRP 40 17.536 -3.908 5.551 286 H TRP 40 HN TRP 40 12.462 -6.171 10.136 287 HA TRP 40 HA TRP 40 13.427 -6.611 7.350 288 1HB TRP 40 HB2 TRP 40 14.733 -6.765 10.104 289 2HB TRP 40 HB1 TRP 40 15.533 -7.400 8.670 290 HD1 TRP 40 HD1 TRP 40 14.500 -4.068 10.315 291 HE1 TRP 40 HE1 TRP 40 15.763 -2.280 9.044 292 HE3 TRP 40 HE3 TRP 40 16.212 -6.830 6.572 293 HZ2 TRP 40 HZ2 TRP 40 17.349 -2.044 6.578 294 HZ3 TRP 40 HZ3 TRP 40 17.559 -5.884 4.745 295 HH2 TRP 40 HH2 TRP 40 18.137 -3.496 4.756 296 OH TYR 41 OH TYR 41 11.261 -15.841 4.318 297 H TYR 41 HN TYR 41 14.034 -8.767 6.714 298 HA TYR 41 HA TYR 41 13.306 -10.986 8.508 299 1HB TYR 41 HB2 TYR 41 11.113 -10.762 7.718 300 2HB TYR 41 HB1 TYR 41 11.622 -10.029 6.204 301 HD1 TYR 41 HD1 TYR 41 12.316 -13.301 7.908 302 HD2 TYR 41 HD2 TYR 41 11.044 -11.327 4.367 303 HE1 TYR 41 HE1 TYR 41 12.058 -15.469 6.792 304 HE2 TYR 41 HE2 TYR 41 10.785 -13.493 3.252 305 HH TYR 41 HH TYR 41 10.799 -16.432 4.916 306 H LEU 42 HN LEU 42 14.577 -12.677 8.132 307 HA LEU 42 HA LEU 42 16.090 -12.759 5.554 308 1HB LEU 42 HB2 LEU 42 17.659 -12.552 7.354 309 2HB LEU 42 HB1 LEU 42 16.730 -13.612 8.404 310 HG LEU 42 HG LEU 42 17.282 -15.538 6.905 311 1HD1 LEU 42 HD13 LEU 42 17.878 -13.596 5.044 312 2HD1 LEU 42 HD11 LEU 42 19.481 -14.077 5.581 313 3HD1 LEU 42 HD12 LEU 42 18.378 -15.278 4.920 314 1HD2 LEU 42 HD21 LEU 42 19.063 -14.080 8.642 315 2HD2 LEU 42 HD22 LEU 42 18.973 -15.816 8.377 316 3HD2 LEU 42 HD23 LEU 42 20.005 -14.823 7.354 317 H GLN 43 HN GLN 43 16.174 -14.643 4.382 318 HA GLN 43 HA GLN 43 14.492 -16.908 5.392 319 1HB GLN 43 HB2 GLN 43 13.509 -15.435 3.487 320 2HB GLN 43 HB1 GLN 43 14.772 -16.111 2.465 321 1HG GLN 43 HG1 GLN 43 13.957 -18.399 2.956 322 2HG GLN 43 HG2 GLN 43 12.708 -17.734 4.003 323 1HE2 GLN 43 HE22 GLN 43 12.159 -16.418 0.188 324 2HE2 GLN 43 HE21 GLN 43 13.582 -16.046 1.035 325 H LYS 44 HN LYS 44 15.321 -18.920 5.167 326 HA LYS 44 HA LYS 44 17.908 -19.149 3.690 327 1HB LYS 44 HB2 LYS 44 17.558 -19.391 6.417 328 2HB LYS 44 HB1 LYS 44 17.367 -21.063 5.907 329 1HG LYS 44 HG1 LYS 44 19.526 -20.501 4.446 330 2HG LYS 44 HG2 LYS 44 19.757 -19.262 5.674 331 1HD LYS 44 HD1 LYS 44 19.438 -21.110 7.413 332 2HD LYS 44 HD2 LYS 44 19.562 -22.259 6.085 333 1HE LYS 44 HE1 LYS 44 21.655 -20.219 6.917 334 2HE LYS 44 HE2 LYS 44 21.772 -21.968 7.079 335 1HZ LYS 44 HZ1 LYS 44 21.343 -21.867 4.515 336 2HZ LYS 44 HZ2 LYS 44 21.991 -20.303 4.684 337 H ALA 45 HN ALA 45 18.410 -21.504 3.164 338 HA ALA 45 HA ALA 45 16.258 -22.539 1.550 339 1HB ALA 45 HB1 ALA 45 18.749 -22.785 1.081 340 2HB ALA 45 HB2 ALA 45 18.829 -23.953 2.396 341 3HB ALA 45 HB3 ALA 45 17.861 -24.300 0.966 342 H GLY 46 HN GLY 46 14.866 -24.162 1.875 343 1HA GLY 46 HA1 GLY 46 13.441 -25.506 3.200 344 2HA GLY 46 HA2 GLY 46 14.935 -26.398 3.461 345 H GLN 47 HN GLN 47 13.767 -23.233 4.610 346 HA GLN 47 HA GLN 47 14.108 -24.269 7.394 347 1HB GLN 47 HB2 GLN 47 15.937 -22.643 6.395 348 2HB GLN 47 HB1 GLN 47 14.723 -21.398 6.659 349 1HG GLN 47 HG1 GLN 47 14.544 -22.212 9.057 350 2HG GLN 47 HG2 GLN 47 15.928 -23.255 8.740 351 1HE2 GLN 47 HE22 GLN 47 16.514 -19.183 8.755 352 2HE2 GLN 47 HE21 GLN 47 14.988 -19.798 8.340 353 H SER 48 HN SER 48 12.907 -23.130 9.010 354 HA SER 48 HA SER 48 10.222 -22.460 8.099 355 1HB SER 48 HB2 SER 48 11.189 -21.977 10.938 356 2HB SER 48 HB1 SER 48 9.644 -22.658 10.395 357 HG SER 48 HG SER 48 11.561 -24.081 11.184 358 HA PRO 49 HA PRO 49 10.374 -18.119 7.855 359 1HB PRO 49 HB2 PRO 49 8.054 -17.654 9.549 360 2HB PRO 49 HB1 PRO 49 8.128 -17.620 7.788 361 1HG PRO 49 HG1 PRO 49 6.930 -19.643 9.460 362 2HG PRO 49 HG2 PRO 49 7.015 -19.614 7.698 363 1HD PRO 49 HD1 PRO 49 8.493 -21.305 9.509 364 2HD PRO 49 HD2 PRO 49 8.586 -21.270 7.740 365 H LYS 50 HN LYS 50 10.993 -16.270 9.043 366 HA LYS 50 HA LYS 50 10.957 -16.281 11.955 367 1HB LYS 50 HB2 LYS 50 13.188 -17.472 10.549 368 2HB LYS 50 HB1 LYS 50 13.751 -15.992 11.314 369 1HG LYS 50 HG1 LYS 50 13.521 -16.849 13.415 370 2HG LYS 50 HG2 LYS 50 11.986 -17.620 13.031 371 1HD LYS 50 HD1 LYS 50 13.291 -19.362 11.726 372 2HD LYS 50 HD2 LYS 50 14.765 -18.651 12.375 373 1HE LYS 50 HE1 LYS 50 12.520 -19.481 14.215 374 2HE LYS 50 HE2 LYS 50 13.695 -20.663 13.650 375 1HZ LYS 50 HZ1 LYS 50 14.939 -19.978 15.338 376 2HZ LYS 50 HZ2 LYS 50 15.223 -18.559 14.446 377 H LEU 51 HN LEU 51 11.050 -14.279 12.717 378 HA LEU 51 HA LEU 51 11.666 -12.089 10.792 379 1HB LEU 51 HB2 LEU 51 9.472 -11.810 11.701 380 2HB LEU 51 HB1 LEU 51 9.968 -12.350 13.298 381 HG LEU 51 HG LEU 51 11.372 -10.265 13.501 382 1HD1 LEU 51 HD13 LEU 51 10.535 -10.041 10.714 383 2HD1 LEU 51 HD11 LEU 51 10.110 -8.596 11.625 384 3HD1 LEU 51 HD12 LEU 51 11.781 -9.143 11.575 385 1HD2 LEU 51 HD21 LEU 51 8.897 -10.568 14.248 386 2HD2 LEU 51 HD22 LEU 51 9.542 -8.933 14.174 387 3HD2 LEU 51 HD23 LEU 51 8.511 -9.530 12.878 388 H LEU 52 HN LEU 52 13.228 -10.598 11.213 389 HA LEU 52 HA LEU 52 14.999 -11.181 13.536 390 1HB LEU 52 HB2 LEU 52 15.457 -10.544 10.788 391 2HB LEU 52 HB1 LEU 52 16.008 -9.145 11.701 392 HG LEU 52 HG LEU 52 17.334 -10.695 13.171 393 1HD1 LEU 52 HD11 LEU 52 16.283 -12.710 11.166 394 2HD1 LEU 52 HD12 LEU 52 17.736 -13.005 12.117 395 3HD1 LEU 52 HD13 LEU 52 16.188 -12.783 12.924 396 1HD2 LEU 52 HD22 LEU 52 17.849 -10.704 10.185 397 2HD2 LEU 52 HD23 LEU 52 18.505 -9.587 11.378 398 3HD2 LEU 52 HD21 LEU 52 19.027 -11.270 11.366 399 H ILE 53 HN ILE 53 13.960 -8.265 11.773 400 HA ILE 53 HA ILE 53 13.674 -6.895 14.426 401 HB ILE 53 HB ILE 53 14.604 -5.660 11.790 402 1HG1 ILE 53 HG11 ILE 53 16.108 -7.339 13.389 403 2HG1 ILE 53 HG12 ILE 53 16.754 -6.141 12.276 404 1HG2 ILE 53 HG22 ILE 53 14.487 -4.610 14.659 405 2HG2 ILE 53 HG23 ILE 53 15.206 -3.733 13.310 406 3HG2 ILE 53 HG21 ILE 53 13.480 -4.073 13.321 407 1HD1 ILE 53 HD13 ILE 53 16.108 -5.623 15.198 408 2HD1 ILE 53 HD11 ILE 53 17.720 -5.914 14.556 409 3HD1 ILE 53 HD12 ILE 53 16.831 -4.474 14.076 410 OH TYR 54 OH TYR 54 9.879 -5.912 19.626 411 H TYR 54 HN TYR 54 11.973 -5.376 14.568 412 HA TYR 54 HA TYR 54 10.159 -5.219 12.210 413 1HB TYR 54 HB2 TYR 54 8.198 -5.644 13.740 414 2HB TYR 54 HB1 TYR 54 9.271 -7.034 13.638 415 HD1 TYR 54 HD1 TYR 54 10.846 -7.523 15.510 416 HD2 TYR 54 HD2 TYR 54 7.963 -4.411 15.809 417 HE1 TYR 54 HE1 TYR 54 11.130 -7.491 17.942 418 HE2 TYR 54 HE2 TYR 54 8.255 -4.377 18.245 419 HH TYR 54 HH TYR 54 10.562 -6.551 19.851 420 H LYS 55 HN LYS 55 8.559 -3.501 12.395 421 HA LYS 55 HA LYS 55 7.898 -1.318 12.905 422 1HB LYS 55 HB2 LYS 55 8.906 -2.380 15.413 423 2HB LYS 55 HB1 LYS 55 9.434 -0.710 15.262 424 1HG LYS 55 HG1 LYS 55 6.820 -0.538 14.411 425 2HG LYS 55 HG2 LYS 55 6.711 -1.802 15.632 426 1HD LYS 55 HD1 LYS 55 7.925 -0.307 17.233 427 2HD LYS 55 HD2 LYS 55 7.909 0.964 16.017 428 1HE LYS 55 HE1 LYS 55 5.794 1.529 16.571 429 2HE LYS 55 HE2 LYS 55 5.245 -0.124 16.320 430 1HZ LYS 55 HZ1 LYS 55 5.003 0.874 18.631 431 2HZ LYS 55 HZ2 LYS 55 5.676 -0.684 18.521 432 H VAL 56 HN VAL 56 11.262 -1.588 14.086 433 HA VAL 56 HA VAL 56 12.343 -0.165 11.834 434 HB VAL 56 HB VAL 56 11.080 1.673 13.067 435 1HG1 VAL 56 HG12 VAL 56 11.695 0.631 15.353 436 2HG1 VAL 56 HG13 VAL 56 13.253 1.430 15.156 437 3HG1 VAL 56 HG11 VAL 56 11.775 2.385 15.225 438 1HG2 VAL 56 HG21 VAL 56 13.031 2.170 11.616 439 2HG2 VAL 56 HG22 VAL 56 12.965 3.274 12.985 440 3HG2 VAL 56 HG23 VAL 56 14.113 1.934 12.988 441 H SER 57 HN SER 57 12.754 -1.012 15.258 442 HA SER 57 HA SER 57 15.476 -1.927 14.583 443 1HB SER 57 HB2 SER 57 14.929 0.151 16.763 444 2HB SER 57 HB1 SER 57 16.505 -0.600 16.446 445 HG SER 57 HG SER 57 15.857 0.090 14.130 446 H ASN 58 HN ASN 58 12.796 -1.912 16.813 447 HA ASN 58 HA ASN 58 13.895 -3.407 18.929 448 1HB ASN 58 HB2 ASN 58 11.138 -3.251 17.687 449 2HB ASN 58 HB1 ASN 58 11.445 -4.422 18.966 450 1HD2 ASN 58 HD22 ASN 58 10.991 -0.541 19.925 451 2HD2 ASN 58 HD21 ASN 58 10.738 -1.120 18.350 452 NH1 ARG 59 NH1 ARG 59 19.774 -6.727 21.084 453 NH2 ARG 59 NH2 ARG 59 21.283 -5.925 19.580 454 H ARG 59 HN ARG 59 14.863 -5.298 18.977 455 HA ARG 59 HA ARG 59 14.803 -7.108 16.690 456 1HB ARG 59 HB2 ARG 59 16.076 -7.148 19.455 457 2HB ARG 59 HB1 ARG 59 16.141 -8.573 18.425 458 1HG ARG 59 HG1 ARG 59 17.221 -7.246 16.641 459 2HG ARG 59 HG2 ARG 59 17.138 -5.807 17.651 460 1HD ARG 59 HD1 ARG 59 18.367 -8.073 19.055 461 2HD ARG 59 HD2 ARG 59 19.252 -7.631 17.595 462 HE ARG 59 HE ARG 59 18.765 -5.196 18.850 463 1HH1 ARG 59 HH11 ARG 59 18.830 -6.965 21.301 464 2HH1 ARG 59 HH12 ARG 59 20.494 -6.859 21.766 465 1HH2 ARG 59 HH21 ARG 59 21.469 -5.562 18.667 466 2HH2 ARG 59 HH22 ARG 59 22.030 -6.043 20.235 467 H PHE 60 HN PHE 60 14.015 -9.253 16.692 468 HA PHE 60 HA PHE 60 11.621 -9.576 18.394 469 1HB PHE 60 HB2 PHE 60 11.717 -10.001 15.836 470 2HB PHE 60 HB1 PHE 60 12.592 -11.480 16.225 471 HD1 PHE 60 HD1 PHE 60 9.432 -9.638 16.983 472 HD2 PHE 60 HD2 PHE 60 11.404 -13.412 16.912 473 HE1 PHE 60 HE1 PHE 60 7.315 -10.756 17.529 474 HE2 PHE 60 HE2 PHE 60 9.285 -14.527 17.461 475 HZ PHE 60 HZ PHE 60 7.239 -13.200 17.767 476 H SER 61 HN SER 61 11.133 -11.802 19.209 477 HA SER 61 HA SER 61 13.123 -12.605 21.093 478 1HB SER 61 HB2 SER 61 10.597 -12.996 21.281 479 2HB SER 61 HB1 SER 61 10.779 -14.301 20.092 480 HG SER 61 HG SER 61 11.874 -15.459 21.503 481 H GLY 62 HN GLY 62 14.893 -13.766 20.789 482 1HA GLY 62 HA1 GLY 62 15.969 -15.855 20.105 483 2HA GLY 62 HA2 GLY 62 14.870 -15.928 18.733 484 H VAL 63 HN VAL 63 15.601 -12.819 18.717 485 HA VAL 63 HA VAL 63 17.722 -13.188 16.696 486 HB VAL 63 HB VAL 63 16.310 -10.632 17.602 487 1HG1 VAL 63 HG13 VAL 63 18.422 -10.339 16.292 488 2HG1 VAL 63 HG11 VAL 63 17.740 -11.340 15.013 489 3HG1 VAL 63 HG12 VAL 63 17.007 -9.786 15.400 490 1HG2 VAL 63 HG22 VAL 63 14.748 -12.441 16.791 491 2HG2 VAL 63 HG23 VAL 63 14.756 -11.014 15.764 492 3HG2 VAL 63 HG21 VAL 63 15.631 -12.459 15.269 493 HA PRO 64 HA PRO 64 20.714 -12.289 19.891 494 1HB PRO 64 HB2 PRO 64 22.815 -12.492 17.923 495 2HB PRO 64 HB1 PRO 64 22.344 -13.705 19.113 496 1HG PRO 64 HG1 PRO 64 21.906 -13.764 16.255 497 2HG PRO 64 HG2 PRO 64 21.462 -14.990 17.443 498 1HD PRO 64 HD1 PRO 64 19.721 -13.132 16.059 499 2HD PRO 64 HD2 PRO 64 19.272 -14.409 17.202 500 H ASP 65 HN ASP 65 22.202 -10.613 20.333 501 HA ASP 65 HA ASP 65 21.530 -8.063 19.341 502 1HB ASP 65 HB2 ASP 65 23.830 -9.205 20.927 503 2HB ASP 65 HB1 ASP 65 23.946 -7.539 20.370 504 NH1 ARG 66 NH2 ARG 66 25.814 -15.349 15.371 505 NH2 ARG 66 NH1 ARG 66 27.320 -15.795 17.020 506 H ARG 66 HN ARG 66 23.470 -10.415 17.867 507 HA ARG 66 HA ARG 66 25.390 -8.804 16.511 508 1HB ARG 66 HB2 ARG 66 24.008 -11.350 15.552 509 2HB ARG 66 HB1 ARG 66 25.559 -10.740 14.985 510 1HG ARG 66 HG1 ARG 66 26.210 -10.814 17.536 511 2HG ARG 66 HG2 ARG 66 24.862 -11.940 17.658 512 1HD ARG 66 HD1 ARG 66 26.317 -12.705 15.351 513 2HD ARG 66 HD2 ARG 66 27.513 -12.408 16.611 514 HE ARG 66 HE ARG 66 25.650 -13.924 17.932 515 1HH1 ARG 66 HH21 ARG 66 25.127 -14.735 14.984 516 2HH1 ARG 66 HH22 ARG 66 26.046 -16.200 14.900 517 1HH2 ARG 66 HH11 ARG 66 27.763 -15.515 17.869 518 2HH2 ARG 66 HH12 ARG 66 27.573 -16.658 16.583 519 H PHE 67 HN PHE 67 22.005 -9.103 16.049 520 HA PHE 67 HA PHE 67 22.244 -7.905 13.329 521 1HB PHE 67 HB2 PHE 67 20.029 -9.407 14.770 522 2HB PHE 67 HB1 PHE 67 19.717 -8.507 13.286 523 HD1 PHE 67 HD1 PHE 67 20.989 -9.104 11.199 524 HD2 PHE 67 HD2 PHE 67 21.216 -11.504 14.709 525 HE1 PHE 67 HE1 PHE 67 21.941 -10.937 9.883 526 HE2 PHE 67 HE2 PHE 67 22.156 -13.349 13.380 527 HZ PHE 67 HZ PHE 67 22.511 -13.066 10.965 528 H SER 68 HN SER 68 22.271 -5.796 13.392 529 HA SER 68 HA SER 68 20.366 -4.392 15.225 530 1HB SER 68 HB2 SER 68 22.872 -4.017 15.648 531 2HB SER 68 HB1 SER 68 22.956 -3.266 14.041 532 HG SER 68 HG SER 68 21.982 -2.246 16.337 533 H GLY 69 HN GLY 69 18.743 -3.494 14.175 534 1HA GLY 69 HA1 GLY 69 19.233 -2.450 11.411 535 2HA GLY 69 HA2 GLY 69 17.755 -3.316 11.824 536 H SER 70 HN SER 70 18.694 -0.386 11.124 537 HA SER 70 HA SER 70 16.509 0.876 12.609 538 1HB SER 70 HB2 SER 70 18.653 0.878 14.148 539 2HB SER 70 HB1 SER 70 19.270 2.103 13.022 540 HG SER 70 HG SER 70 16.897 2.137 14.569 541 H GLY 71 HN GLY 71 16.392 3.260 12.038 542 1HA GLY 71 HA1 GLY 71 17.865 4.351 9.863 543 2HA GLY 71 HA2 GLY 71 16.462 3.525 9.195 544 H SER 72 HN SER 72 16.333 5.948 8.560 545 HA SER 72 HA SER 72 15.062 7.613 10.649 546 1HB SER 72 HB2 SER 72 16.676 8.719 9.137 547 2HB SER 72 HB1 SER 72 15.777 8.157 7.716 548 HG SER 72 HG SER 72 15.295 10.291 9.274 549 H GLY 73 HN GLY 73 13.908 8.228 7.519 550 1HA GLY 73 HA1 GLY 73 11.309 6.893 8.182 551 2HA GLY 73 HA2 GLY 73 11.398 8.482 7.430 552 H THR 74 HN THR 74 13.554 7.805 5.610 553 HA THR 74 HA THR 74 12.134 5.852 3.844 554 HB THR 74 HB THR 74 12.921 7.294 1.897 555 HG1 THR 74 HG1 THR 74 14.619 8.338 2.762 556 1HG2 THR 74 HG23 THR 74 11.367 8.734 4.115 557 2HG2 THR 74 HG21 THR 74 11.509 9.347 2.471 558 3HG2 THR 74 HG22 THR 74 10.658 7.837 2.776 559 H ASP 75 HN ASP 75 14.613 5.813 5.658 560 HA ASP 75 HA ASP 75 16.249 4.301 3.709 561 1HB ASP 75 HB2 ASP 75 17.002 6.873 4.986 562 2HB ASP 75 HB1 ASP 75 18.211 5.608 5.193 563 H PHE 76 HN PHE 76 16.631 2.392 4.543 564 HA PHE 76 HA PHE 76 17.142 2.169 7.476 565 1HB PHE 76 HB2 PHE 76 15.489 0.197 5.829 566 2HB PHE 76 HB1 PHE 76 15.697 0.198 7.580 567 HD1 PHE 76 HD2 PHE 76 14.616 1.952 8.959 568 HD2 PHE 76 HD1 PHE 76 13.980 1.774 4.752 569 HE1 PHE 76 HE2 PHE 76 12.714 3.488 9.180 570 HE2 PHE 76 HE1 PHE 76 12.070 3.305 4.978 571 HZ PHE 76 HZ PHE 76 11.434 4.160 7.193 572 H THR 77 HN THR 77 18.626 0.637 8.076 573 HA THR 77 HA THR 77 19.810 -1.051 5.937 574 HB THR 77 HB THR 77 21.362 0.867 7.768 575 HG1 THR 77 HG1 THR 77 21.493 0.807 4.990 576 1HG2 THR 77 HG22 THR 77 22.381 -1.516 6.876 577 2HG2 THR 77 HG23 THR 77 22.565 -0.574 5.401 578 3HG2 THR 77 HG21 THR 77 23.356 -0.052 6.884 579 H LEU 78 HN LEU 78 20.619 -2.970 6.606 580 HA LEU 78 HA LEU 78 20.132 -3.685 9.456 581 1HB LEU 78 HB2 LEU 78 19.255 -4.989 7.318 582 2HB LEU 78 HB1 LEU 78 20.892 -5.627 7.250 583 HG LEU 78 HG LEU 78 20.175 -5.897 9.950 584 1HD1 LEU 78 HD12 LEU 78 17.824 -5.378 9.172 585 2HD1 LEU 78 HD13 LEU 78 17.892 -6.844 8.200 586 3HD1 LEU 78 HD11 LEU 78 18.002 -6.946 9.955 587 1HD2 LEU 78 HD22 LEU 78 21.414 -7.457 8.321 588 2HD2 LEU 78 HD23 LEU 78 20.355 -8.238 9.490 589 3HD2 LEU 78 HD21 LEU 78 19.823 -8.029 7.827 590 H LYS 79 HN LYS 79 21.936 -3.079 10.549 591 HA LYS 79 HA LYS 79 24.606 -3.691 9.448 592 1HB LYS 79 HB2 LYS 79 23.534 -2.184 11.852 593 2HB LYS 79 HB1 LYS 79 25.235 -2.635 11.793 594 1HG LYS 79 HG1 LYS 79 25.700 -1.200 10.050 595 2HG LYS 79 HG2 LYS 79 24.103 -1.379 9.335 596 1HD LYS 79 HD1 LYS 79 23.117 0.116 10.938 597 2HD LYS 79 HD2 LYS 79 24.560 0.090 11.948 598 1HE LYS 79 HE1 LYS 79 25.830 1.323 10.337 599 2HE LYS 79 HE2 LYS 79 24.621 1.072 9.085 600 1HZ LYS 79 HZ1 LYS 79 23.551 2.367 11.403 601 2HZ LYS 79 HZ2 LYS 79 24.818 3.249 10.695 602 H ILE 80 HN ILE 80 25.476 -5.608 9.747 603 HA ILE 80 HA ILE 80 24.725 -7.187 12.167 604 HB ILE 80 HB ILE 80 26.124 -8.130 9.619 605 1HG1 ILE 80 HG11 ILE 80 23.179 -8.280 10.367 606 2HG1 ILE 80 HG12 ILE 80 23.866 -7.288 9.087 607 1HG2 ILE 80 HG22 ILE 80 26.203 -9.446 11.909 608 2HG2 ILE 80 HG23 ILE 80 24.510 -9.800 11.587 609 3HG2 ILE 80 HG21 ILE 80 25.753 -10.341 10.463 610 1HD1 ILE 80 HD11 ILE 80 24.033 -10.322 9.211 611 2HD1 ILE 80 HD12 ILE 80 22.915 -9.414 8.200 612 3HD1 ILE 80 HD13 ILE 80 24.648 -9.307 7.911 613 H SER 81 HN SER 81 26.175 -7.824 13.614 614 HA SER 81 HA SER 81 28.666 -6.402 13.622 615 1HB SER 81 HB2 SER 81 27.615 -8.612 15.451 616 2HB SER 81 HB1 SER 81 29.080 -7.663 15.774 617 HG SER 81 HG SER 81 27.885 -5.825 15.868 618 NH1 ARG 82 NH2 ARG 82 33.143 -9.889 16.805 619 NH2 ARG 82 NH1 ARG 82 33.374 -11.572 18.316 620 H ARG 82 HN ARG 82 28.136 -9.930 13.831 621 HA ARG 82 HA ARG 82 30.672 -10.241 12.274 622 1HB ARG 82 HB2 ARG 82 29.957 -12.494 14.067 623 2HB ARG 82 HB1 ARG 82 31.505 -11.686 13.865 624 1HG ARG 82 HG1 ARG 82 30.809 -9.864 15.330 625 2HG ARG 82 HG2 ARG 82 29.178 -10.516 15.429 626 1HD ARG 82 HD1 ARG 82 30.365 -11.175 17.444 627 2HD ARG 82 HD2 ARG 82 30.148 -12.613 16.448 628 HE ARG 82 HE ARG 82 32.511 -12.551 15.913 629 1HH1 ARG 82 HH21 ARG 82 32.751 -9.560 15.948 630 2HH1 ARG 82 HH22 ARG 82 33.730 -9.292 17.349 631 1HH2 ARG 82 HH11 ARG 82 33.155 -12.506 18.596 632 2HH2 ARG 82 HH12 ARG 82 33.967 -11.005 18.886 633 H VAL 83 HN VAL 83 29.920 -10.786 10.307 634 HA VAL 83 HA VAL 83 27.564 -12.310 9.803 635 HB VAL 83 HB VAL 83 30.097 -11.953 8.120 636 1HG1 VAL 83 HG12 VAL 83 27.486 -13.342 7.617 637 2HG1 VAL 83 HG13 VAL 83 28.186 -12.416 6.293 638 3HG1 VAL 83 HG11 VAL 83 29.094 -13.737 7.018 639 1HG2 VAL 83 HG23 VAL 83 27.505 -10.446 8.443 640 2HG2 VAL 83 HG21 VAL 83 29.149 -9.815 8.375 641 3HG2 VAL 83 HG22 VAL 83 28.365 -10.387 6.906 642 H GLU 84 HN GLU 84 27.325 -14.233 10.735 643 HA GLU 84 HA GLU 84 29.592 -16.158 10.680 644 1HB GLU 84 HB2 GLU 84 26.913 -16.152 12.142 645 2HB GLU 84 HB1 GLU 84 28.068 -17.477 12.237 646 1HG GLU 84 HG1 GLU 84 29.759 -15.515 12.870 647 2HG GLU 84 HG2 GLU 84 28.277 -14.694 13.352 648 H ALA 85 HN ALA 85 28.986 -18.464 10.273 649 HA ALA 85 HA ALA 85 28.023 -18.811 7.652 650 1HB ALA 85 HB3 ALA 85 29.400 -20.457 9.013 651 2HB ALA 85 HB1 ALA 85 27.935 -20.876 9.895 652 3HB ALA 85 HB2 ALA 85 28.050 -21.209 8.170 653 H GLU 86 HN GLU 86 26.280 -18.627 10.636 654 HA GLU 86 HA GLU 86 23.822 -19.804 9.578 655 1HB GLU 86 HB2 GLU 86 24.388 -18.119 12.067 656 2HB GLU 86 HB1 GLU 86 22.861 -18.933 11.747 657 1HG GLU 86 HG1 GLU 86 23.992 -21.118 11.748 658 2HG GLU 86 HG2 GLU 86 25.552 -20.333 11.976 659 H ASP 87 HN ASP 87 25.109 -16.573 10.115 660 HA ASP 87 HA ASP 87 22.675 -15.177 9.437 661 1HB ASP 87 HB2 ASP 87 25.556 -14.186 9.194 662 2HB ASP 87 HB1 ASP 87 24.118 -13.192 9.394 663 H LEU 88 HN LEU 88 24.702 -17.010 7.532 664 HA LEU 88 HA LEU 88 24.711 -15.376 5.127 665 1HB LEU 88 HB2 LEU 88 25.015 -18.398 5.472 666 2HB LEU 88 HB1 LEU 88 25.430 -17.498 4.020 667 HG LEU 88 HG LEU 88 26.685 -17.022 6.743 668 1HD1 LEU 88 HD11 LEU 88 27.256 -19.245 5.782 669 2HD1 LEU 88 HD12 LEU 88 27.766 -18.457 4.293 670 3HD1 LEU 88 HD13 LEU 88 28.647 -18.167 5.789 671 1HD2 LEU 88 HD21 LEU 88 27.063 -15.864 3.982 672 2HD2 LEU 88 HD22 LEU 88 26.933 -15.020 5.522 673 3HD2 LEU 88 HD23 LEU 88 28.407 -15.893 5.119 674 H GLY 89 HN GLY 89 23.436 -15.641 3.257 675 1HA GLY 89 HA1 GLY 89 21.556 -17.346 2.433 676 2HA GLY 89 HA2 GLY 89 20.721 -16.703 3.842 677 H ILE 90 HN ILE 90 19.077 -15.793 2.621 678 HA ILE 90 HA ILE 90 19.878 -13.432 0.961 679 HB ILE 90 HB ILE 90 17.257 -14.966 0.707 680 1HG1 ILE 90 HG11 ILE 90 18.658 -15.848 -1.430 681 2HG1 ILE 90 HG12 ILE 90 19.976 -15.697 -0.274 682 1HG2 ILE 90 HG23 ILE 90 17.507 -12.682 -0.343 683 2HG2 ILE 90 HG21 ILE 90 18.896 -13.275 -1.248 684 3HG2 ILE 90 HG22 ILE 90 17.296 -13.941 -1.557 685 1HD1 ILE 90 HD13 ILE 90 18.065 -16.893 1.283 686 2HD1 ILE 90 HD11 ILE 90 17.690 -17.584 -0.293 687 3HD1 ILE 90 HD12 ILE 90 19.299 -17.781 0.394 688 OH TYR 91 OH TYR 91 21.106 -12.349 8.497 689 H TYR 91 HN TYR 91 19.379 -11.583 1.935 690 HA TYR 91 HA TYR 91 17.301 -11.577 4.044 691 1HB TYR 91 HB2 TYR 91 19.529 -9.721 3.185 692 2HB TYR 91 HB1 TYR 91 18.222 -9.089 4.185 693 HD1 TYR 91 HD1 TYR 91 20.664 -11.922 4.020 694 HD2 TYR 91 HD2 TYR 91 18.277 -9.433 6.510 695 HE1 TYR 91 HE1 TYR 91 21.672 -12.942 6.008 696 HE2 TYR 91 HE2 TYR 91 19.292 -10.448 8.497 697 HH TYR 91 HH TYR 91 20.413 -12.823 8.961 698 H PHE 92 HN PHE 92 15.628 -10.040 4.124 699 HA PHE 92 HA PHE 92 14.968 -8.629 1.588 700 1HB PHE 92 HB2 PHE 92 13.168 -10.612 3.069 701 2HB PHE 92 HB1 PHE 92 12.604 -9.556 1.778 702 HD1 PHE 92 HD1 PHE 92 13.525 -9.844 -0.543 703 HD2 PHE 92 HD2 PHE 92 14.446 -12.595 2.576 704 HE1 PHE 92 HE1 PHE 92 14.231 -11.503 -2.212 705 HE2 PHE 92 HE2 PHE 92 15.157 -14.247 0.904 706 HZ PHE 92 HZ PHE 92 15.049 -13.703 -1.491 707 H CYS 93 HN CYS 93 13.316 -6.995 1.871 708 HA CYS 93 HA CYS 93 12.734 -6.271 4.706 709 1HB CYS 93 HB2 CYS 93 13.431 -4.008 4.377 710 2HB CYS 93 HB1 CYS 93 14.729 -4.989 3.754 711 H SER 94 HN SER 94 10.795 -5.133 5.007 712 HA SER 94 HA SER 94 9.190 -4.482 2.608 713 1HB SER 94 HB2 SER 94 8.916 -7.001 3.501 714 2HB SER 94 HB1 SER 94 7.858 -6.219 4.692 715 HG SER 94 HG SER 94 6.689 -6.680 2.806 716 H GLN 95 HN GLN 95 7.079 -3.498 3.199 717 HA GLN 95 HA GLN 95 7.224 -2.103 5.842 718 1HB GLN 95 HB2 GLN 95 6.422 -0.046 4.713 719 2HB GLN 95 HB1 GLN 95 7.905 -0.598 3.947 720 1HG GLN 95 HG1 GLN 95 6.742 -0.483 1.993 721 2HG GLN 95 HG2 GLN 95 5.961 -1.968 2.521 722 1HE2 GLN 95 HE22 GLN 95 3.294 0.536 1.758 723 2HE2 GLN 95 HE21 GLN 95 4.543 -0.189 0.869 724 H THR 96 HN THR 96 5.305 -1.713 6.870 725 HA THR 96 HA THR 96 2.885 -2.957 5.616 726 HB THR 96 HB THR 96 3.000 -2.705 8.614 727 HG1 THR 96 HG1 THR 96 4.619 -4.489 7.092 728 1HG2 THR 96 HG22 THR 96 2.405 -4.922 6.578 729 2HG2 THR 96 HG23 THR 96 2.382 -5.196 8.318 730 3HG2 THR 96 HG21 THR 96 1.226 -4.088 7.586 731 H THR 97 HN THR 97 4.003 -0.105 5.831 732 HA THR 97 HA THR 97 2.114 1.346 7.478 733 HB THR 97 HB THR 97 3.418 2.670 5.087 734 HG1 THR 97 HG1 THR 97 5.013 2.106 7.284 735 1HG2 THR 97 HG21 THR 97 3.286 3.170 8.114 736 2HG2 THR 97 HG22 THR 97 4.210 4.185 7.009 737 3HG2 THR 97 HG23 THR 97 2.455 4.106 6.874 738 H HIS 98 HN HIS 98 2.310 0.579 4.029 739 HA HIS 98 HA HIS 98 -0.485 1.604 3.730 740 1HB HIS 98 HB2 HIS 98 1.542 1.042 1.512 741 2HB HIS 98 HB1 HIS 98 0.037 1.944 1.369 742 HD2 HIS 98 HD2 HIS 98 3.646 2.382 2.857 743 HE1 HIS 98 HE1 HIS 98 1.768 6.066 2.866 744 H VAL 99 HN VAL 99 -1.694 0.401 1.930 745 HA VAL 99 HA VAL 99 -1.054 -2.507 1.950 746 HB VAL 99 HB VAL 99 -3.735 -1.225 2.679 747 1HG1 VAL 99 HG12 VAL 99 -3.821 -3.377 1.263 748 2HG1 VAL 99 HG13 VAL 99 -3.096 -4.185 2.650 749 3HG1 VAL 99 HG11 VAL 99 -4.672 -3.418 2.802 750 1HG2 VAL 99 HG22 VAL 99 -1.630 -2.754 4.224 751 2HG2 VAL 99 HG23 VAL 99 -2.340 -1.188 4.605 752 3HG2 VAL 99 HG21 VAL 99 -3.295 -2.656 4.792 753 HA PRO 100 HA PRO 100 -1.865 -4.326 1.105 754 1HB PRO 100 HB2 PRO 100 -0.585 -5.447 -1.212 755 2HB PRO 100 HB1 PRO 100 -2.171 -5.874 -0.569 756 1HG PRO 100 HG1 PRO 100 -1.572 -4.411 -2.991 757 2HG PRO 100 HG2 PRO 100 -3.158 -4.866 -2.367 758 1HD PRO 100 HD1 PRO 100 -1.914 -2.240 -2.364 759 2HD PRO 100 HD2 PRO 100 -3.546 -2.679 -1.829 760 HA PRO 101 HA PRO 101 2.357 -3.705 1.988 761 1HB PRO 101 HB2 PRO 101 3.213 -6.464 1.816 762 2HB PRO 101 HB1 PRO 101 2.774 -5.569 3.270 763 1HG PRO 101 HG1 PRO 101 1.264 -7.656 1.950 764 2HG PRO 101 HG2 PRO 101 0.844 -6.785 3.425 765 1HD PRO 101 HD1 PRO 101 -0.332 -6.497 0.801 766 2HD PRO 101 HD2 PRO 101 -0.763 -5.629 2.286 767 H THR 102 HN THR 102 4.510 -3.741 1.089 768 HA THR 102 HA THR 102 4.461 -4.034 -1.850 769 HB THR 102 HB THR 102 6.777 -2.901 -1.620 770 HG1 THR 102 HG1 THR 102 7.523 -2.808 0.356 771 1HG2 THR 102 HG21 THR 102 4.426 -1.643 -0.096 772 2HG2 THR 102 HG22 THR 102 5.848 -0.752 -0.632 773 3HG2 THR 102 HG23 THR 102 4.739 -1.437 -1.815 774 H PHE 103 HN PHE 103 6.878 -4.885 0.629 775 HA PHE 103 HA PHE 103 8.313 -6.721 0.807 776 1HB PHE 103 HB2 PHE 103 5.889 -7.808 -0.595 777 2HB PHE 103 HB1 PHE 103 7.345 -8.792 -0.681 778 HD1 PHE 103 HD2 PHE 103 8.628 -9.047 1.655 779 HD2 PHE 103 HD1 PHE 103 4.499 -8.080 1.260 780 HE1 PHE 103 HE2 PHE 103 8.222 -9.828 3.948 781 HE2 PHE 103 HE1 PHE 103 4.098 -8.857 3.556 782 HZ PHE 103 HZ PHE 103 5.960 -9.729 4.903 783 H GLY 104 HN GLY 104 9.641 -8.289 -0.561 784 1HA GLY 104 HA1 GLY 104 10.360 -8.668 -2.986 785 2HA GLY 104 HA2 GLY 104 10.347 -6.914 -3.126 786 H GLY 105 HN GLY 105 12.580 -7.041 -3.732 787 1HA GLY 105 HA1 GLY 105 14.792 -6.467 -3.036 788 2HA GLY 105 HA2 GLY 105 14.369 -6.937 -1.390 789 H GLY 106 HN GLY 106 16.635 -7.942 -1.770 790 1HA GLY 106 HA1 GLY 106 16.533 -10.697 -1.649 791 2HA GLY 106 HA2 GLY 106 16.679 -10.383 -3.376 792 H THR 107 HN THR 107 18.158 -9.155 -0.374 793 HA THR 107 HA THR 107 20.710 -8.727 -1.725 794 HB THR 107 HB THR 107 20.044 -8.758 1.284 795 HG1 THR 107 HG1 THR 107 18.845 -7.299 -0.060 796 1HG2 THR 107 HG23 THR 107 22.469 -8.140 -0.338 797 2HG2 THR 107 HG21 THR 107 21.977 -6.810 0.706 798 3HG2 THR 107 HG22 THR 107 22.348 -8.384 1.402 799 H LYS 108 HN LYS 108 21.842 -10.453 -2.332 800 HA LYS 108 HA LYS 108 21.702 -12.988 -0.899 801 1HB LYS 108 HB2 LYS 108 23.170 -11.919 -3.314 802 2HB LYS 108 HB1 LYS 108 23.734 -13.418 -2.583 803 1HG LYS 108 HG1 LYS 108 21.395 -14.321 -2.754 804 2HG LYS 108 HG2 LYS 108 20.932 -12.856 -3.613 805 1HD LYS 108 HD1 LYS 108 21.642 -13.822 -5.530 806 2HD LYS 108 HD2 LYS 108 23.281 -13.773 -4.894 807 1HE LYS 108 HE1 LYS 108 22.441 -15.956 -3.588 808 2HE LYS 108 HE2 LYS 108 21.337 -16.049 -4.956 809 1HZ LYS 108 HZ1 LYS 108 24.210 -16.417 -4.857 810 2HZ LYS 108 HZ2 LYS 108 23.057 -17.112 -5.896 811 H LEU 109 HN LEU 109 23.024 -13.727 0.624 812 HA LEU 109 HA LEU 109 25.523 -12.180 1.177 813 1HB LEU 109 HB2 LEU 109 23.375 -12.173 2.836 814 2HB LEU 109 HB1 LEU 109 24.128 -13.657 3.401 815 HG LEU 109 HG LEU 109 26.299 -11.964 3.218 816 1HD1 LEU 109 HD12 LEU 109 24.722 -10.068 2.731 817 2HD1 LEU 109 HD13 LEU 109 23.957 -10.354 4.292 818 3HD1 LEU 109 HD11 LEU 109 25.636 -9.833 4.219 819 1HD2 LEU 109 HD22 LEU 109 25.722 -13.471 5.100 820 2HD2 LEU 109 HD23 LEU 109 26.141 -11.864 5.682 821 3HD2 LEU 109 HD21 LEU 109 24.453 -12.358 5.599 822 H GLU 110 HN GLU 110 26.455 -13.782 -0.258 823 HA GLU 110 HA GLU 110 26.812 -16.459 1.017 824 1HB GLU 110 HB2 GLU 110 27.194 -15.443 -1.838 825 2HB GLU 110 HB1 GLU 110 27.728 -17.040 -1.324 826 1HG GLU 110 HG1 GLU 110 25.560 -17.836 -1.068 827 2HG GLU 110 HG2 GLU 110 24.910 -16.248 -0.677 828 H ILE 111 HN ILE 111 28.819 -17.125 1.642 829 HA ILE 111 HA ILE 111 30.837 -15.154 2.110 830 HB ILE 111 HB ILE 111 31.338 -18.145 1.921 831 1HG1 ILE 111 HG11 ILE 111 30.393 -16.721 4.418 832 2HG1 ILE 111 HG12 ILE 111 29.268 -17.514 3.321 833 1HG2 ILE 111 HG23 ILE 111 33.216 -16.402 2.308 834 2HG2 ILE 111 HG21 ILE 111 32.453 -16.082 3.863 835 3HG2 ILE 111 HG22 ILE 111 33.100 -17.681 3.513 836 1HD1 ILE 111 HD13 ILE 111 31.636 -19.141 4.041 837 2HD1 ILE 111 HD11 ILE 111 30.553 -18.790 5.383 838 3HD1 ILE 111 HD12 ILE 111 29.942 -19.611 3.951 839 H LYS 112 HN LYS 112 32.307 -14.340 0.804 840 HA LYS 112 HA LYS 112 32.569 -15.162 -1.926 841 1HB LYS 112 HB2 LYS 112 33.145 -12.860 -0.925 842 2HB LYS 112 HB1 LYS 112 34.605 -13.590 -0.270 843 1HG LYS 112 HG1 LYS 112 34.375 -14.295 -3.060 844 2HG LYS 112 HG2 LYS 112 34.199 -12.553 -2.897 845 1HD LYS 112 HD1 LYS 112 36.496 -12.612 -2.921 846 2HD LYS 112 HD2 LYS 112 36.284 -12.946 -1.207 847 1HE LYS 112 HE1 LYS 112 37.615 -14.753 -1.738 848 2HE LYS 112 HE2 LYS 112 36.059 -15.458 -2.141 849 1HZ LYS 112 HZ1 LYS 112 38.234 -14.922 -3.836 850 2HZ LYS 112 HZ2 LYS 112 36.782 -15.731 -4.185 851 NH1 ARG 113 NH2 ARG 113 33.620 -24.214 -0.022 852 NH2 ARG 113 NH1 ARG 113 31.762 -23.799 1.221 853 H ARG 113 HN ARG 113 33.221 -17.211 -2.268 854 HA ARG 113 HA ARG 113 35.530 -18.280 -0.737 855 1HB ARG 113 HB2 ARG 113 33.137 -19.373 -1.969 856 2HB ARG 113 HB1 ARG 113 34.548 -20.173 -2.649 857 1HG ARG 113 HG1 ARG 113 35.144 -21.135 -0.641 858 2HG ARG 113 HG2 ARG 113 34.542 -19.780 0.309 859 1HD ARG 113 HD1 ARG 113 32.252 -20.499 0.028 860 2HD ARG 113 HD2 ARG 113 32.721 -21.713 -1.163 861 HE ARG 113 HE ARG 113 33.690 -21.899 1.663 862 1HH1 ARG 113 HH21 ARG 113 34.469 -23.877 -0.428 863 2HH1 ARG 113 HH22 ARG 113 33.346 -25.165 -0.153 864 1HH2 ARG 113 HH11 ARG 113 31.216 -23.151 1.750 865 2HH2 ARG 113 HH12 ARG 113 31.453 -24.742 1.113 No H/Q in entry = 865
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