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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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647333 |
6y1h ![]() ![]() |
34490 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 HT1 ASN 1 5.329 18.295 12.915 2 H2 ASN 1 HT2 ASN 1 6.574 17.727 11.909 3 H3 ASN 1 HT3 ASN 1 4.975 17.785 11.337 4 HA ASN 1 HA ASN 1 4.964 20.161 11.365 5 HB2 ASN 1 HB2 ASN 1 7.805 19.945 12.401 6 HB3 ASN 1 HB1 ASN 1 6.886 21.425 12.133 7 HD21 ASN 1 HD21 ASN 1 7.943 19.636 14.631 8 HD22 ASN 1 HD22 ASN 1 6.649 19.810 15.716 9 H LEU 2 HN LEU 2 5.727 17.802 9.704 10 HA LEU 2 HA LEU 2 7.631 19.086 7.848 11 HB2 LEU 2 HB2 LEU 2 8.344 16.874 8.612 12 HB3 LEU 2 HB1 LEU 2 6.803 16.182 8.106 13 HG LEU 2 HG LEU 2 7.291 16.828 5.763 14 HD11 LEU 2 HD11 LEU 2 9.697 17.522 5.289 15 HD12 LEU 2 HD12 LEU 2 9.852 17.848 7.016 16 HD13 LEU 2 HD13 LEU 2 8.689 18.755 6.048 17 HD21 LEU 2 HD21 LEU 2 9.087 15.188 5.381 18 HD22 LEU 2 HD22 LEU 2 7.968 14.600 6.611 19 HD23 LEU 2 HD23 LEU 2 9.531 15.265 7.086 20 H THR 3 HN THR 3 6.835 19.918 6.028 21 HA THR 3 HA THR 3 4.286 18.849 4.977 22 HB THR 3 HB THR 3 3.651 21.133 4.335 23 HG1 THR 3 HG1 THR 3 4.940 22.845 5.183 24 HG21 THR 3 HG21 THR 3 4.364 20.694 7.241 25 HG22 THR 3 HG22 THR 3 2.809 20.411 6.459 26 HG23 THR 3 HG23 THR 3 3.395 22.058 6.687 27 H LYS 4 HN LYS 4 3.983 19.179 2.667 28 HA LYS 4 HA LYS 4 6.482 19.651 1.171 29 HB2 LYS 4 HB2 LYS 4 6.215 17.227 1.433 30 HB3 LYS 4 HB1 LYS 4 4.585 17.329 0.770 31 HG2 LYS 4 HG2 LYS 4 5.420 18.054 -1.373 32 HG3 LYS 4 HG1 LYS 4 7.053 18.236 -0.732 33 HD2 LYS 4 HD2 LYS 4 6.941 16.136 -1.948 34 HD3 LYS 4 HD1 LYS 4 7.066 15.777 -0.226 35 HE2 LYS 4 HE2 LYS 4 4.630 15.450 -0.102 36 HE3 LYS 4 HE1 LYS 4 4.481 15.842 -1.814 37 HZ1 LYS 4 HZ1 LYS 4 4.813 13.701 -2.218 38 HZ2 LYS 4 HZ2 LYS 4 5.180 13.378 -0.592 39 HZ3 LYS 4 HZ3 LYS 4 6.405 13.871 -1.660 40 H GLN 5 HN GLN 5 6.172 21.136 -0.357 41 HA GLN 5 HA GLN 5 3.436 21.547 -1.401 42 HB2 GLN 5 HB2 GLN 5 4.090 23.854 -1.843 43 HB3 GLN 5 HB1 GLN 5 4.382 23.460 -0.149 44 HG2 GLN 5 HG2 GLN 5 6.761 22.983 -0.697 45 HG3 GLN 5 HG1 GLN 5 6.453 23.476 -2.361 46 HE21 GLN 5 HE21 GLN 5 7.748 24.636 0.447 47 HE22 GLN 5 HE22 GLN 5 7.408 26.304 0.249 48 H LYS 6 HN LYS 6 6.499 20.399 -2.233 49 HA LYS 6 HA LYS 6 6.596 21.297 -4.959 50 HB2 LYS 6 HB2 LYS 6 8.152 19.426 -3.243 51 HB3 LYS 6 HB1 LYS 6 8.255 19.206 -4.990 52 HG2 LYS 6 HG2 LYS 6 9.961 20.747 -4.651 53 HG3 LYS 6 HG1 LYS 6 8.607 21.828 -4.985 54 HD2 LYS 6 HD2 LYS 6 8.196 21.803 -2.438 55 HD3 LYS 6 HD1 LYS 6 9.814 21.113 -2.312 56 HE2 LYS 6 HE2 LYS 6 10.131 23.459 -2.102 57 HE3 LYS 6 HE1 LYS 6 10.592 23.082 -3.761 58 HZ1 LYS 6 HZ1 LYS 6 9.194 24.869 -4.031 59 HZ2 LYS 6 HZ2 LYS 6 8.159 24.403 -2.767 60 HZ3 LYS 6 HZ3 LYS 6 8.122 23.572 -4.249 61 H GLU 7 HN GLU 7 6.694 19.678 -6.779 62 HA GLU 7 HA GLU 7 4.900 17.381 -6.432 63 HB2 GLU 7 HB2 GLU 7 3.494 18.048 -8.314 64 HB3 GLU 7 HB1 GLU 7 3.451 19.291 -7.063 65 HG2 GLU 7 HG2 GLU 7 5.193 20.563 -8.296 66 HG3 GLU 7 HG1 GLU 7 5.160 19.343 -9.568 67 H ALA 8 HN ALA 8 4.924 15.929 -8.313 68 HA ALA 8 HA ALA 8 7.201 16.302 -10.139 69 HB1 ALA 8 HB1 ALA 8 8.232 14.994 -8.453 70 HB2 ALA 8 HB2 ALA 8 7.776 13.843 -9.708 71 HB3 ALA 8 HB3 ALA 8 6.799 13.987 -8.249 72 H VAL 9 HN VAL 9 7.013 15.211 -12.102 73 HA VAL 9 HA VAL 9 4.402 14.803 -13.077 74 HB VAL 9 HB VAL 9 7.101 14.023 -14.184 75 HG11 VAL 9 HG11 VAL 9 4.325 13.795 -15.374 76 HG12 VAL 9 HG12 VAL 9 5.533 12.521 -15.204 77 HG13 VAL 9 HG13 VAL 9 5.787 13.829 -16.361 78 HG21 VAL 9 HG21 VAL 9 6.827 16.401 -14.102 79 HG22 VAL 9 HG22 VAL 9 5.151 16.296 -14.640 80 HG23 VAL 9 HG23 VAL 9 6.461 15.934 -15.762 81 H ASN 10 HN ASN 10 6.927 12.438 -12.170 82 HA ASN 10 HA ASN 10 4.950 10.293 -12.478 83 HB2 ASN 10 HB2 ASN 10 7.945 10.257 -12.306 84 HB3 ASN 10 HB1 ASN 10 6.963 8.793 -12.246 85 HD21 ASN 10 HD21 ASN 10 8.836 9.329 -14.383 86 HD22 ASN 10 HD22 ASN 10 7.929 9.529 -15.824 87 H ASP 11 HN ASP 11 7.683 10.674 -10.360 88 HA ASP 11 HA ASP 11 6.032 10.536 -7.973 89 HB2 ASP 11 HB2 ASP 11 7.100 8.507 -7.105 90 HB3 ASP 11 HB1 ASP 11 6.224 8.169 -8.598 91 H LYS 12 HN LYS 12 7.528 10.267 -6.007 92 HA LYS 12 HA LYS 12 9.782 12.119 -6.392 93 HB2 LYS 12 HB2 LYS 12 7.939 11.678 -4.043 94 HB3 LYS 12 HB1 LYS 12 9.359 12.709 -4.011 95 HG2 LYS 12 HG2 LYS 12 8.454 14.068 -5.841 96 HG3 LYS 12 HG1 LYS 12 7.032 13.025 -5.911 97 HD2 LYS 12 HD2 LYS 12 6.476 13.625 -3.583 98 HD3 LYS 12 HD1 LYS 12 7.889 14.680 -3.521 99 HE2 LYS 12 HE2 LYS 12 5.597 14.970 -5.483 100 HE3 LYS 12 HE1 LYS 12 5.801 15.938 -4.023 101 HZ1 LYS 12 HZ1 LYS 12 6.915 17.284 -5.408 102 HZ2 LYS 12 HZ2 LYS 12 7.224 16.065 -6.546 103 HZ3 LYS 12 HZ3 LYS 12 8.200 16.211 -5.163 104 H GLY 13 HN GLY 13 8.769 9.062 -5.011 105 HA2 GLY 13 HA2 GLY 13 10.807 7.494 -4.979 106 HA3 GLY 13 HA1 GLY 13 11.457 8.675 -3.857 107 H LYS 14 HN LYS 14 11.503 7.614 -1.959 108 HA LYS 14 HA LYS 14 9.714 5.650 -1.109 109 HB2 LYS 14 HB2 LYS 14 10.654 5.965 1.105 110 HB3 LYS 14 HB1 LYS 14 11.940 6.086 -0.096 111 HG2 LYS 14 HG2 LYS 14 11.768 8.552 -0.027 112 HG3 LYS 14 HG1 LYS 14 10.502 8.425 1.195 113 HD2 LYS 14 HD2 LYS 14 12.071 7.267 2.706 114 HD3 LYS 14 HD1 LYS 14 13.341 7.402 1.489 115 HE2 LYS 14 HE2 LYS 14 13.173 9.861 1.577 116 HE3 LYS 14 HE1 LYS 14 11.899 9.731 2.790 117 HZ1 LYS 14 HZ1 LYS 14 14.530 8.459 3.203 118 HZ2 LYS 14 HZ2 LYS 14 13.367 8.899 4.360 119 HZ3 LYS 14 HZ3 LYS 14 14.287 10.093 3.580 120 H ALA 15 HN ALA 15 9.360 9.107 -1.115 121 HA ALA 15 HA ALA 15 7.288 9.173 0.892 122 HB1 ALA 15 HB1 ALA 15 8.535 11.108 -0.994 123 HB2 ALA 15 HB2 ALA 15 8.241 11.255 0.739 124 HB3 ALA 15 HB3 ALA 15 6.917 11.487 -0.402 125 H ALA 16 HN ALA 16 7.185 9.839 -2.587 126 HA ALA 16 HA ALA 16 4.399 9.678 -2.840 127 HB1 ALA 16 HB1 ALA 16 6.301 9.043 -5.079 128 HB2 ALA 16 HB2 ALA 16 6.090 10.691 -4.488 129 HB3 ALA 16 HB3 ALA 16 4.719 9.814 -5.167 130 H VAL 17 HN VAL 17 6.925 7.325 -3.220 131 HA VAL 17 HA VAL 17 5.367 5.209 -4.290 132 HB VAL 17 HB VAL 17 7.803 5.112 -2.513 133 HG11 VAL 17 HG11 VAL 17 7.821 2.677 -3.364 134 HG12 VAL 17 HG12 VAL 17 6.112 2.930 -3.747 135 HG13 VAL 17 HG13 VAL 17 6.679 3.075 -2.082 136 HG21 VAL 17 HG21 VAL 17 7.474 4.325 -5.419 137 HG22 VAL 17 HG22 VAL 17 8.972 4.613 -4.534 138 HG23 VAL 17 HG23 VAL 17 7.911 5.962 -4.935 139 H VAL 18 HN VAL 18 6.373 5.687 -0.908 140 HA VAL 18 HA VAL 18 4.716 3.749 0.192 141 HB VAL 18 HB VAL 18 5.742 6.339 1.359 142 HG11 VAL 18 HG11 VAL 18 3.939 5.862 2.768 143 HG12 VAL 18 HG12 VAL 18 5.253 4.997 3.560 144 HG13 VAL 18 HG13 VAL 18 4.100 4.122 2.557 145 HG21 VAL 18 HG21 VAL 18 7.433 4.924 2.368 146 HG22 VAL 18 HG22 VAL 18 7.375 4.523 0.652 147 HG23 VAL 18 HG23 VAL 18 6.603 3.463 1.831 148 H LYS 19 HN LYS 19 4.155 7.106 -0.515 149 HA LYS 19 HA LYS 19 1.652 7.361 0.713 150 HB2 LYS 19 HB2 LYS 19 3.063 8.853 -1.470 151 HB3 LYS 19 HB1 LYS 19 1.385 9.225 -1.104 152 HG2 LYS 19 HG2 LYS 19 3.456 10.457 0.130 153 HG3 LYS 19 HG1 LYS 19 1.899 10.211 0.909 154 HD2 LYS 19 HD2 LYS 19 2.694 8.400 2.199 155 HD3 LYS 19 HD1 LYS 19 4.089 8.141 1.156 156 HE2 LYS 19 HE2 LYS 19 5.120 10.196 1.916 157 HE3 LYS 19 HE1 LYS 19 3.668 10.640 2.816 158 HZ1 LYS 19 HZ1 LYS 19 4.033 8.432 4.018 159 HZ2 LYS 19 HZ2 LYS 19 5.062 9.726 4.411 160 HZ3 LYS 19 HZ3 LYS 19 5.605 8.485 3.385 161 H VAL 20 HN VAL 20 2.518 6.276 -2.582 162 HA VAL 20 HA VAL 20 -0.233 6.113 -3.313 163 HB VAL 20 HB VAL 20 0.498 4.837 -5.290 164 HG11 VAL 20 HG11 VAL 20 0.390 7.201 -5.500 165 HG12 VAL 20 HG12 VAL 20 1.925 6.715 -6.222 166 HG13 VAL 20 HG13 VAL 20 1.895 7.423 -4.607 167 HG21 VAL 20 HG21 VAL 20 2.489 3.806 -4.050 168 HG22 VAL 20 HG22 VAL 20 3.315 5.331 -4.335 169 HG23 VAL 20 HG23 VAL 20 2.787 4.354 -5.697 170 H VAL 21 HN VAL 21 2.091 3.957 -1.852 171 HA VAL 21 HA VAL 21 0.544 1.595 -2.203 172 HB VAL 21 HB VAL 21 2.605 2.361 -0.109 173 HG11 VAL 21 HG11 VAL 21 2.746 -0.277 -0.008 174 HG12 VAL 21 HG12 VAL 21 1.079 -0.190 -0.587 175 HG13 VAL 21 HG13 VAL 21 1.520 0.575 0.940 176 HG21 VAL 21 HG21 VAL 21 2.904 0.476 -2.458 177 HG22 VAL 21 HG22 VAL 21 4.175 1.219 -1.491 178 HG23 VAL 21 HG23 VAL 21 3.228 2.200 -2.606 179 H GLU 22 HN GLU 22 0.878 3.894 0.509 180 HA GLU 22 HA GLU 22 -1.145 2.821 2.241 181 HB2 GLU 22 HB2 GLU 22 -0.132 5.673 1.828 182 HB3 GLU 22 HB1 GLU 22 -1.203 5.193 3.140 183 HG2 GLU 22 HG2 GLU 22 0.450 3.779 4.088 184 HG3 GLU 22 HG1 GLU 22 1.463 3.866 2.659 185 H SER 23 HN SER 23 -1.383 5.509 -0.152 186 HA SER 23 HA SER 23 -4.087 5.895 0.341 187 HB2 SER 23 HB2 SER 23 -2.421 6.552 -2.083 188 HB3 SER 23 HB1 SER 23 -4.077 7.108 -1.855 189 HG SER 23 HG SER 23 -2.972 8.697 -0.933 190 H GLN 24 HN GLN 24 -2.439 3.921 -2.077 191 HA GLN 24 HA GLN 24 -4.680 3.121 -3.563 192 HB2 GLN 24 HB2 GLN 24 -2.385 2.814 -4.348 193 HB3 GLN 24 HB1 GLN 24 -2.093 1.662 -3.049 194 HG2 GLN 24 HG2 GLN 24 -3.725 0.129 -3.962 195 HG3 GLN 24 HG1 GLN 24 -4.211 1.312 -5.171 196 HE21 GLN 24 HE21 GLN 24 -2.147 -1.333 -4.641 197 HE22 GLN 24 HE22 GLN 24 -1.095 -1.078 -5.969 198 H ALA 25 HN ALA 25 -3.071 1.729 -0.820 199 HA ALA 25 HA ALA 25 -4.739 -0.565 -0.597 200 HB1 ALA 25 HB1 ALA 25 -2.817 -0.881 0.457 201 HB2 ALA 25 HB2 ALA 25 -3.725 -0.307 1.829 202 HB3 ALA 25 HB3 ALA 25 -2.646 0.773 0.983 203 H GLU 26 HN GLU 26 -4.638 2.524 0.919 204 HA GLU 26 HA GLU 26 -6.559 2.300 2.880 205 HB2 GLU 26 HB2 GLU 26 -5.829 4.464 2.856 206 HB3 GLU 26 HB1 GLU 26 -5.790 4.550 1.091 207 HG2 GLU 26 HG2 GLU 26 -8.291 4.622 1.055 208 HG3 GLU 26 HG1 GLU 26 -8.307 4.512 2.803 209 H LEU 27 HN LEU 27 -7.045 2.685 -0.603 210 HA LEU 27 HA LEU 27 -9.880 2.562 -0.375 211 HB2 LEU 27 HB2 LEU 27 -8.225 1.901 -2.753 212 HB3 LEU 27 HB1 LEU 27 -9.993 2.079 -2.652 213 HG LEU 27 HG LEU 27 -7.994 4.281 -1.986 214 HD11 LEU 27 HD11 LEU 27 -8.820 5.302 -4.128 215 HD12 LEU 27 HD12 LEU 27 -9.641 3.781 -4.480 216 HD13 LEU 27 HD13 LEU 27 -7.882 3.828 -4.363 217 HD21 LEU 27 HD21 LEU 27 -10.067 4.599 -0.812 218 HD22 LEU 27 HD22 LEU 27 -10.997 4.191 -2.250 219 HD23 LEU 27 HD23 LEU 27 -10.083 5.694 -2.195 220 H TYR 28 HN TYR 28 -7.351 0.193 -0.817 221 HA TYR 28 HA TYR 28 -8.849 -1.852 -1.666 222 HB2 TYR 28 HB2 TYR 28 -6.494 -1.720 -0.010 223 HB3 TYR 28 HB1 TYR 28 -7.558 -3.034 0.435 224 HD1 TYR 28 HD1 TYR 28 -6.693 -1.381 -2.805 225 HD2 TYR 28 HD2 TYR 28 -6.916 -5.033 -0.569 226 HE1 TYR 28 HE1 TYR 28 -5.994 -2.655 -4.807 227 HE2 TYR 28 HE2 TYR 28 -6.223 -6.303 -2.579 228 HH TYR 28 HH TYR 28 -6.461 -5.442 -5.458 229 H SER 29 HN SER 29 -8.738 -0.829 1.762 230 HA SER 29 HA SER 29 -10.869 -2.398 2.704 231 HB2 SER 29 HB2 SER 29 -9.864 0.333 3.542 232 HB3 SER 29 HB1 SER 29 -11.191 -0.510 4.366 233 HG SER 29 HG SER 29 -9.741 -1.633 5.345 234 H LEU 30 HN LEU 30 -10.856 0.890 1.238 235 HA LEU 30 HA LEU 30 -13.586 1.372 1.546 236 HB2 LEU 30 HB2 LEU 30 -12.128 3.147 0.782 237 HB3 LEU 30 HB1 LEU 30 -11.774 2.247 -0.690 238 HG LEU 30 HG LEU 30 -14.186 2.351 -1.318 239 HD11 LEU 30 HD11 LEU 30 -15.249 2.443 0.829 240 HD12 LEU 30 HD12 LEU 30 -15.610 3.975 0.035 241 HD13 LEU 30 HD13 LEU 30 -14.362 3.899 1.278 242 HD21 LEU 30 HD21 LEU 30 -13.038 4.116 -2.335 243 HD22 LEU 30 HD22 LEU 30 -12.644 4.889 -0.799 244 HD23 LEU 30 HD23 LEU 30 -14.284 4.987 -1.444 245 H GLU 31 HN GLU 31 -12.054 0.362 -1.465 246 HA GLU 31 HA GLU 31 -14.379 -0.644 -2.609 247 HB2 GLU 31 HB2 GLU 31 -12.616 -2.057 -4.000 248 HB3 GLU 31 HB1 GLU 31 -12.767 -0.316 -4.210 249 HG2 GLU 31 HG2 GLU 31 -10.835 0.146 -2.976 250 HG3 GLU 31 HG1 GLU 31 -10.811 -1.443 -2.234 251 H LYS 32 HN LYS 32 -11.764 -2.874 -2.021 252 HA LYS 32 HA LYS 32 -12.552 -5.357 -1.569 253 HB2 LYS 32 HB2 LYS 32 -11.130 -3.916 0.684 254 HB3 LYS 32 HB1 LYS 32 -11.153 -5.631 0.430 255 HG2 LYS 32 HG2 LYS 32 -10.278 -4.006 -1.887 256 HG3 LYS 32 HG1 LYS 32 -9.173 -4.070 -0.516 257 HD2 LYS 32 HD2 LYS 32 -10.403 -6.522 -1.832 258 HD3 LYS 32 HD1 LYS 32 -8.817 -5.888 -2.258 259 HE2 LYS 32 HE2 LYS 32 -8.203 -6.118 0.215 260 HE3 LYS 32 HE1 LYS 32 -9.696 -7.030 0.404 261 HZ1 LYS 32 HZ1 LYS 32 -8.793 -8.362 -1.595 262 HZ2 LYS 32 HZ2 LYS 32 -8.187 -8.677 -0.039 263 HZ3 LYS 32 HZ3 LYS 32 -7.291 -7.730 -1.129 264 H ASN 33 HN ASN 33 -13.042 -2.965 0.989 265 HA ASN 33 HA ASN 33 -14.750 -2.561 2.453 266 HB2 ASN 33 HB2 ASN 33 -16.100 -4.448 0.645 267 HB3 ASN 33 HB1 ASN 33 -16.720 -4.446 2.290 268 HD21 ASN 33 HD21 ASN 33 -16.553 -2.631 -0.691 269 HD22 ASN 33 HD22 ASN 33 -17.457 -1.281 -0.140 270 H GLU 34 HN GLU 34 -12.435 -4.451 2.903 271 HA GLU 34 HA GLU 34 -13.637 -5.821 5.236 272 HB2 GLU 34 HB2 GLU 34 -11.485 -6.792 3.352 273 HB3 GLU 34 HB1 GLU 34 -11.795 -7.527 4.925 274 HG2 GLU 34 HG2 GLU 34 -14.066 -8.074 4.292 275 HG3 GLU 34 HG1 GLU 34 -13.907 -7.177 2.783 276 H ASP 35 HN ASP 35 -10.244 -5.569 4.251 277 HA ASP 35 HA ASP 35 -9.513 -3.426 5.929 278 HB2 ASP 35 HB2 ASP 35 -8.428 -4.687 7.765 279 HB3 ASP 35 HB1 ASP 35 -10.174 -4.890 7.754 280 H ALA 36 HN ALA 36 -7.099 -5.481 6.641 281 HA ALA 36 HA ALA 36 -4.868 -5.403 5.949 282 HB1 ALA 36 HB1 ALA 36 -5.859 -6.723 3.494 283 HB2 ALA 36 HB2 ALA 36 -6.283 -7.487 5.055 284 HB3 ALA 36 HB3 ALA 36 -4.584 -7.249 4.621 285 H SER 37 HN SER 37 -3.902 -5.797 3.307 286 HA SER 37 HA SER 37 -4.779 -4.096 1.370 287 HB2 SER 37 HB2 SER 37 -2.830 -2.325 1.985 288 HB3 SER 37 HB1 SER 37 -4.546 -2.090 2.306 289 HG SER 37 HG SER 37 -3.796 -1.888 4.277 290 H LEU 38 HN LEU 38 -1.608 -3.902 2.793 291 HA LEU 38 HA LEU 38 -0.039 -4.138 0.617 292 HB2 LEU 38 HB2 LEU 38 0.403 -5.446 3.272 293 HB3 LEU 38 HB1 LEU 38 1.627 -5.426 2.001 294 HG LEU 38 HG LEU 38 0.272 -2.993 3.064 295 HD11 LEU 38 HD11 LEU 38 1.958 -4.464 4.596 296 HD12 LEU 38 HD12 LEU 38 1.901 -2.710 4.673 297 HD13 LEU 38 HD13 LEU 38 3.139 -3.507 3.705 298 HD21 LEU 38 HD21 LEU 38 2.369 -1.960 1.957 299 HD22 LEU 38 HD22 LEU 38 1.086 -2.546 0.898 300 HD23 LEU 38 HD23 LEU 38 2.533 -3.522 1.153 301 H ARG 39 HN ARG 39 -0.335 -7.050 2.488 302 HA ARG 39 HA ARG 39 0.506 -8.716 0.570 303 HB2 ARG 39 HB2 ARG 39 -1.666 -9.671 2.360 304 HB3 ARG 39 HB1 ARG 39 -0.204 -10.511 1.847 305 HG2 ARG 39 HG2 ARG 39 0.948 -8.393 3.066 306 HG3 ARG 39 HG1 ARG 39 -0.536 -8.474 4.009 307 HD2 ARG 39 HD2 ARG 39 1.271 -10.848 3.542 308 HD3 ARG 39 HD1 ARG 39 1.434 -9.757 4.927 309 HE ARG 39 HE ARG 39 -1.244 -10.617 4.806 310 HH11 ARG 39 HH11 ARG 39 1.939 -11.942 5.314 311 HH12 ARG 39 HH12 ARG 39 1.379 -13.224 6.331 312 HH21 ARG 39 HH21 ARG 39 -1.956 -12.302 6.142 313 HH22 ARG 39 HH22 ARG 39 -0.816 -13.429 6.799 314 H LYS 40 HN LYS 40 -2.693 -7.369 0.800 315 HA LYS 40 HA LYS 40 -3.734 -9.087 -1.199 316 HB2 LYS 40 HB2 LYS 40 -4.567 -6.836 0.412 317 HB3 LYS 40 HB1 LYS 40 -5.442 -7.148 -1.094 318 HG2 LYS 40 HG2 LYS 40 -6.457 -8.386 0.812 319 HG3 LYS 40 HG1 LYS 40 -5.826 -9.475 -0.426 320 HD2 LYS 40 HD2 LYS 40 -3.816 -9.892 0.849 321 HD3 LYS 40 HD1 LYS 40 -4.227 -8.628 1.996 322 HE2 LYS 40 HE2 LYS 40 -6.215 -9.903 2.716 323 HE3 LYS 40 HE1 LYS 40 -5.828 -11.164 1.546 324 HZ1 LYS 40 HZ1 LYS 40 -4.006 -11.841 2.738 325 HZ2 LYS 40 HZ2 LYS 40 -5.053 -11.387 3.996 326 HZ3 LYS 40 HZ3 LYS 40 -3.802 -10.346 3.511 327 H LEU 41 HN LEU 41 -2.930 -5.583 -1.261 328 HA LEU 41 HA LEU 41 -3.516 -5.170 -3.964 329 HB2 LEU 41 HB2 LEU 41 -1.108 -3.689 -3.386 330 HB3 LEU 41 HB1 LEU 41 -2.738 -3.069 -3.613 331 HG LEU 41 HG LEU 41 -1.742 -4.185 -0.991 332 HD11 LEU 41 HD11 LEU 41 -1.201 -2.006 -0.286 333 HD12 LEU 41 HD12 LEU 41 -1.997 -1.271 -1.678 334 HD13 LEU 41 HD13 LEU 41 -0.495 -2.156 -1.886 335 HD21 LEU 41 HD21 LEU 41 -4.170 -4.147 -1.104 336 HD22 LEU 41 HD22 LEU 41 -4.152 -2.544 -1.834 337 HD23 LEU 41 HD23 LEU 41 -3.687 -2.749 -0.141 338 H GLN 42 HN GLN 42 -0.712 -6.351 -2.252 339 HA GLN 42 HA GLN 42 1.014 -6.905 -4.416 340 HB2 GLN 42 HB2 GLN 42 0.663 -7.893 -1.600 341 HB3 GLN 42 HB1 GLN 42 1.895 -8.532 -2.638 342 HG2 GLN 42 HG2 GLN 42 3.157 -6.754 -2.479 343 HG3 GLN 42 HG1 GLN 42 1.794 -5.664 -2.696 344 HE21 GLN 42 HE21 GLN 42 2.598 -8.122 -0.191 345 HE22 GLN 42 HE22 GLN 42 2.347 -7.045 1.116 346 H ALA 43 HN ALA 43 -1.452 -8.561 -2.684 347 HA ALA 43 HA ALA 43 -1.147 -11.121 -3.690 348 HB1 ALA 43 HB1 ALA 43 -3.809 -9.868 -3.335 349 HB2 ALA 43 HB2 ALA 43 -2.879 -10.584 -2.025 350 HB3 ALA 43 HB3 ALA 43 -3.469 -11.586 -3.339 351 H ASP 44 HN ASP 44 -2.914 -8.406 -4.936 352 HA ASP 44 HA ASP 44 -3.664 -9.608 -7.449 353 HB2 ASP 44 HB2 ASP 44 -3.842 -6.831 -6.280 354 HB3 ASP 44 HB1 ASP 44 -4.312 -7.192 -7.923 355 H GLY 45 HN GLY 45 -1.052 -8.031 -6.028 356 HA2 GLY 45 HA2 GLY 45 1.088 -7.866 -6.735 357 HA3 GLY 45 HA1 GLY 45 0.558 -8.297 -8.318 358 H ARG 46 HN ARG 46 -1.345 -5.601 -7.315 359 HA ARG 46 HA ARG 46 -0.484 -3.798 -9.156 360 HB2 ARG 46 HB2 ARG 46 -1.176 -3.177 -6.278 361 HB3 ARG 46 HB1 ARG 46 -1.284 -2.060 -7.628 362 HG2 ARG 46 HG2 ARG 46 -3.232 -2.937 -8.371 363 HG3 ARG 46 HG1 ARG 46 -2.733 -4.591 -8.043 364 HD2 ARG 46 HD2 ARG 46 -4.372 -4.316 -6.445 365 HD3 ARG 46 HD1 ARG 46 -2.928 -3.835 -5.529 366 HE ARG 46 HE ARG 46 -3.847 -1.716 -5.411 367 HH11 ARG 46 HH11 ARG 46 -5.228 -3.420 -8.115 368 HH12 ARG 46 HH12 ARG 46 -6.338 -2.154 -8.507 369 HH21 ARG 46 HH21 ARG 46 -5.315 -0.072 -5.938 370 HH22 ARG 46 HH22 ARG 46 -6.388 -0.266 -7.281 371 H ILE 47 HN ILE 47 0.591 -3.828 -5.785 372 HA ILE 47 HA ILE 47 3.136 -2.693 -6.652 373 HB ILE 47 HB ILE 47 3.489 -1.926 -4.425 374 HG12 ILE 47 HG12 ILE 47 0.842 -3.129 -3.681 375 HG13 ILE 47 HG11 ILE 47 2.377 -3.822 -3.262 376 HG21 ILE 47 HG21 ILE 47 2.009 -0.665 -6.026 377 HG22 ILE 47 HG22 ILE 47 1.759 -0.283 -4.319 378 HG23 ILE 47 HG23 ILE 47 0.628 -1.344 -5.160 379 HD11 ILE 47 HD11 ILE 47 1.663 -2.474 -1.393 380 HD12 ILE 47 HD12 ILE 47 1.308 -1.113 -2.460 381 HD13 ILE 47 HD13 ILE 47 2.980 -1.615 -2.192 382 H THR 48 HN THR 48 4.642 -4.023 -6.952 383 HA THR 48 HA THR 48 4.471 -6.710 -6.179 384 HB THR 48 HB THR 48 5.727 -5.819 -8.101 385 HG1 THR 48 HG1 THR 48 6.199 -7.871 -7.200 386 HG21 THR 48 HG21 THR 48 6.879 -4.074 -6.232 387 HG22 THR 48 HG22 THR 48 7.395 -4.306 -7.903 388 HG23 THR 48 HG23 THR 48 8.168 -5.217 -6.611 389 H GLU 49 HN GLU 49 6.600 -7.564 -4.910 390 HA GLU 49 HA GLU 49 6.164 -6.510 -2.269 391 HB2 GLU 49 HB2 GLU 49 7.950 -8.726 -3.298 392 HB3 GLU 49 HB1 GLU 49 7.793 -8.302 -1.593 393 HG2 GLU 49 HG2 GLU 49 5.386 -8.750 -1.675 394 HG3 GLU 49 HG1 GLU 49 5.495 -9.111 -3.397 395 H GLU 50 HN GLU 50 8.007 -5.365 -4.691 396 HA GLU 50 HA GLU 50 10.481 -4.972 -3.313 397 HB2 GLU 50 HB2 GLU 50 9.212 -3.638 -5.698 398 HB3 GLU 50 HB1 GLU 50 10.812 -3.197 -5.094 399 HG2 GLU 50 HG2 GLU 50 11.627 -5.450 -5.450 400 HG3 GLU 50 HG1 GLU 50 10.009 -6.015 -5.866 401 H GLN 51 HN GLN 51 7.704 -2.794 -3.960 402 HA GLN 51 HA GLN 51 8.760 -0.876 -2.097 403 HB2 GLN 51 HB2 GLN 51 6.640 0.385 -2.774 404 HB3 GLN 51 HB1 GLN 51 7.863 0.155 -4.022 405 HG2 GLN 51 HG2 GLN 51 6.626 -1.528 -5.101 406 HG3 GLN 51 HG1 GLN 51 5.616 -1.836 -3.688 407 HE21 GLN 51 HE21 GLN 51 4.630 -1.177 -6.377 408 HE22 GLN 51 HE22 GLN 51 3.760 0.285 -6.209 409 H ALA 52 HN ALA 52 6.114 -3.214 -2.416 410 HA ALA 52 HA ALA 52 4.668 -2.383 -0.228 411 HB1 ALA 52 HB1 ALA 52 3.544 -3.736 -1.608 412 HB2 ALA 52 HB2 ALA 52 3.998 -4.840 -0.317 413 HB3 ALA 52 HB3 ALA 52 4.894 -4.840 -1.819 414 H LYS 53 HN LYS 53 7.301 -4.725 -0.622 415 HA LYS 53 HA LYS 53 7.047 -5.538 2.023 416 HB2 LYS 53 HB2 LYS 53 8.336 -6.823 0.315 417 HB3 LYS 53 HB1 LYS 53 9.597 -5.586 0.441 418 HG2 LYS 53 HG2 LYS 53 10.046 -6.079 2.666 419 HG3 LYS 53 HG1 LYS 53 8.456 -6.818 2.894 420 HD2 LYS 53 HD2 LYS 53 9.120 -8.738 1.524 421 HD3 LYS 53 HD1 LYS 53 10.676 -7.981 1.176 422 HE2 LYS 53 HE2 LYS 53 10.935 -9.639 2.964 423 HE3 LYS 53 HE1 LYS 53 11.214 -8.017 3.600 424 HZ1 LYS 53 HZ1 LYS 53 9.647 -9.650 4.843 425 HZ2 LYS 53 HZ2 LYS 53 8.505 -9.152 3.687 426 HZ3 LYS 53 HZ3 LYS 53 9.230 -8.011 4.717 427 H ALA 54 HN ALA 54 8.755 -3.018 0.335 428 HA ALA 54 HA ALA 54 10.304 -2.094 2.489 429 HB1 ALA 54 HB1 ALA 54 10.236 -1.336 -0.032 430 HB2 ALA 54 HB2 ALA 54 10.629 -0.151 1.214 431 HB3 ALA 54 HB3 ALA 54 9.003 -0.207 0.533 432 H TYR 55 HN TYR 55 6.920 -1.520 1.478 433 HA TYR 55 HA TYR 55 6.484 0.385 3.543 434 HB2 TYR 55 HB2 TYR 55 5.061 0.261 1.599 435 HB3 TYR 55 HB1 TYR 55 4.379 -1.271 2.214 436 HD1 TYR 55 HD1 TYR 55 5.072 2.278 3.121 437 HD2 TYR 55 HD2 TYR 55 2.731 -1.218 3.864 438 HE1 TYR 55 HE1 TYR 55 3.709 3.554 4.743 439 HE2 TYR 55 HE2 TYR 55 1.353 0.043 5.488 440 HH TYR 55 HH TYR 55 2.293 3.066 6.716 441 H LYS 56 HN LYS 56 6.064 -3.055 3.352 442 HA LYS 56 HA LYS 56 4.612 -3.491 5.674 443 HB2 LYS 56 HB2 LYS 56 6.067 -5.029 3.791 444 HB3 LYS 56 HB1 LYS 56 6.699 -5.447 5.373 445 HG2 LYS 56 HG2 LYS 56 4.361 -5.850 6.166 446 HG3 LYS 56 HG1 LYS 56 3.778 -5.511 4.529 447 HD2 LYS 56 HD2 LYS 56 5.135 -7.375 3.656 448 HD3 LYS 56 HD1 LYS 56 5.721 -7.719 5.284 449 HE2 LYS 56 HE2 LYS 56 3.411 -8.159 6.028 450 HE3 LYS 56 HE1 LYS 56 2.820 -7.812 4.403 451 HZ1 LYS 56 HZ1 LYS 56 3.740 -9.719 3.560 452 HZ2 LYS 56 HZ2 LYS 56 3.309 -10.244 5.117 453 HZ3 LYS 56 HZ3 LYS 56 4.921 -9.833 4.772 454 H GLU 57 HN GLU 57 7.934 -2.748 5.030 455 HA GLU 57 HA GLU 57 8.890 -3.047 7.693 456 HB2 GLU 57 HB2 GLU 57 10.361 -3.284 5.751 457 HB3 GLU 57 HB1 GLU 57 10.068 -1.599 5.379 458 HG2 GLU 57 HG2 GLU 57 11.032 -0.907 7.516 459 HG3 GLU 57 HG1 GLU 57 11.283 -2.597 7.953 460 H TYR 58 HN TYR 58 7.602 -0.492 5.736 461 HA TYR 58 HA TYR 58 8.341 1.674 7.372 462 HB2 TYR 58 HB2 TYR 58 6.347 1.455 5.154 463 HB3 TYR 58 HB1 TYR 58 6.344 2.855 6.213 464 HD1 TYR 58 HD1 TYR 58 8.069 1.245 3.447 465 HD2 TYR 58 HD2 TYR 58 8.457 4.195 6.538 466 HE1 TYR 58 HE1 TYR 58 9.998 2.229 2.255 467 HE2 TYR 58 HE2 TYR 58 10.390 5.187 5.343 468 HH TYR 58 HH TYR 58 11.856 3.617 2.598 469 H HIS 59 HN HIS 59 5.364 -0.206 7.069 470 HA HIS 59 HA HIS 59 4.184 1.249 9.314 471 HB2 HIS 59 HB2 HIS 59 2.760 0.574 7.462 472 HB3 HIS 59 HB1 HIS 59 3.124 -1.119 7.767 473 HD1 HIS 59 HD1 HIS 59 2.078 -2.199 9.886 474 HD2 HIS 59 HD2 HIS 59 1.001 1.788 9.338 475 HE1 HIS 59 HE1 HIS 59 0.167 -1.748 11.487 476 HE2 HIS 59 HE2 HIS 59 -0.500 0.681 11.164 477 H ASP 60 HN ASP 60 4.413 -2.167 8.705 478 HA ASP 60 HA ASP 60 4.299 -2.905 11.456 479 HB2 ASP 60 HB2 ASP 60 5.131 -4.532 9.068 480 HB3 ASP 60 HB1 ASP 60 4.656 -5.154 10.644 481 H LYS 61 HN LYS 61 6.902 -2.276 9.168 482 HA LYS 61 HA LYS 61 9.149 -2.401 9.457 483 HB2 LYS 61 HB2 LYS 61 8.707 -1.314 11.623 484 HB3 LYS 61 HB1 LYS 61 8.668 -2.929 12.364 485 HG2 LYS 61 HG2 LYS 61 10.876 -3.241 10.999 486 HG3 LYS 61 HG1 LYS 61 10.942 -1.481 11.078 487 HD2 LYS 61 HD2 LYS 61 10.595 -3.260 13.511 488 HD3 LYS 61 HD1 LYS 61 12.147 -2.614 12.982 489 HE2 LYS 61 HE2 LYS 61 11.229 -0.312 13.172 490 HE3 LYS 61 HE1 LYS 61 9.716 -0.987 13.777 491 HZ1 LYS 61 HZ1 LYS 61 10.755 -1.776 15.699 492 HZ2 LYS 61 HZ2 LYS 61 11.402 -0.220 15.486 493 HZ3 LYS 61 HZ3 LYS 61 12.314 -1.589 15.058 494 H ASN 62 HN ASN 62 7.686 -4.276 8.478 495 HA ASN 62 HA ASN 62 7.637 -6.369 7.779 496 HB2 ASN 62 HB2 ASN 62 10.180 -5.916 7.852 497 HB3 ASN 62 HB1 ASN 62 10.177 -6.919 9.302 498 HD21 ASN 62 HD21 ASN 62 11.458 -7.628 6.756 499 HD22 ASN 62 HD22 ASN 62 10.667 -9.040 6.195 500 H GLY 63 HN GLY 63 6.489 -5.622 10.367 501 HA2 GLY 63 HA2 GLY 63 6.797 -7.633 12.320 502 HA3 GLY 63 HA1 GLY 63 5.383 -6.588 12.135 503 H GLY 64 HN GLY 64 4.667 -7.351 9.500 504 HA2 GLY 64 HA2 GLY 64 3.881 -9.197 8.235 505 HA3 GLY 64 HA1 GLY 64 4.156 -10.238 9.626 506 H ALA 65 HN ALA 65 2.739 -7.648 10.970 507 HA ALA 65 HA ALA 65 0.249 -8.928 11.397 508 HB1 ALA 65 HB1 ALA 65 -0.294 -6.422 12.168 509 HB2 ALA 65 HB2 ALA 65 1.467 -6.310 12.109 510 HB3 ALA 65 HB3 ALA 65 0.695 -7.514 13.141 511 H ASN 66 HN ASN 66 -1.829 -8.319 10.730 512 HA ASN 66 HA ASN 66 -2.007 -7.451 7.977 513 HB2 ASN 66 HB2 ASN 66 -4.409 -7.905 8.263 514 HB3 ASN 66 HB1 ASN 66 -3.432 -9.256 8.837 515 HD21 ASN 66 HD21 ASN 66 -5.856 -7.003 9.751 516 HD22 ASN 66 HD22 ASN 66 -5.863 -7.351 11.418 517 H ARG 67 HN ARG 67 -4.100 -5.992 7.606 518 HA ARG 67 HA ARG 67 -5.254 -3.972 7.869 519 HB2 ARG 67 HB2 ARG 67 -5.302 -3.727 10.212 520 HB3 ARG 67 HB1 ARG 67 -3.560 -3.705 10.328 521 HG2 ARG 67 HG2 ARG 67 -4.380 -1.442 10.635 522 HG3 ARG 67 HG1 ARG 67 -3.468 -1.508 9.180 523 HD2 ARG 67 HD2 ARG 67 -5.800 -0.329 9.194 524 HD3 ARG 67 HD1 ARG 67 -5.346 -1.306 7.801 525 HE ARG 67 HE ARG 67 -6.961 -2.872 8.447 526 HH11 ARG 67 HH11 ARG 67 -6.440 -0.525 10.976 527 HH12 ARG 67 HH12 ARG 67 -7.817 -1.028 11.893 528 HH21 ARG 67 HH21 ARG 67 -8.765 -3.499 9.661 529 HH22 ARG 67 HH22 ARG 67 -9.127 -2.703 11.155 530 H LYS 68 HN LYS 68 -1.946 -3.641 8.893 531 HA LYS 68 HA LYS 68 -0.365 -2.102 8.395 532 HB2 LYS 68 HB2 LYS 68 0.225 -2.247 5.872 533 HB3 LYS 68 HB1 LYS 68 0.439 -3.601 6.957 534 HG2 LYS 68 HG2 LYS 68 -2.162 -3.414 5.584 535 HG3 LYS 68 HG1 LYS 68 -0.825 -3.837 4.616 536 HD2 LYS 68 HD2 LYS 68 -1.659 -5.254 7.118 537 HD3 LYS 68 HD1 LYS 68 -1.991 -5.830 5.505 538 HE2 LYS 68 HE2 LYS 68 0.538 -5.839 5.153 539 HE3 LYS 68 HE1 LYS 68 0.695 -5.590 6.881 540 HZ1 LYS 68 HZ1 LYS 68 -1.068 -7.731 5.976 541 HZ2 LYS 68 HZ2 LYS 68 -0.071 -7.649 7.350 542 HZ3 LYS 68 HZ3 LYS 68 0.603 -7.982 5.827 543 H VAL 69 HN VAL 69 -2.421 -1.650 5.447 544 HA VAL 69 HA VAL 69 -2.656 1.076 6.344 545 HB VAL 69 HB VAL 69 -2.412 1.579 3.778 546 HG11 VAL 69 HG11 VAL 69 -1.037 2.635 5.397 547 HG12 VAL 69 HG12 VAL 69 0.053 1.860 4.251 548 HG13 VAL 69 HG13 VAL 69 -0.245 1.116 5.820 549 HG21 VAL 69 HG21 VAL 69 -2.134 -0.930 3.378 550 HG22 VAL 69 HG22 VAL 69 -0.577 -0.804 4.183 551 HG23 VAL 69 HG23 VAL 69 -0.873 0.082 2.688 552 H ASN 70 HN ASN 70 -4.771 0.626 6.919 553 HA ASN 70 HA ASN 70 -6.608 1.203 4.907 554 HB2 ASN 70 HB2 ASN 70 -5.664 -1.442 4.922 555 HB3 ASN 70 HB1 ASN 70 -7.341 -1.494 5.486 556 HD21 ASN 70 HD21 ASN 70 -6.378 -2.434 2.910 557 HD22 ASN 70 HD22 ASN 70 -7.086 -1.453 1.744 558 H ASP 71 HN ASP 71 -8.885 -0.179 5.836 559 HA ASP 71 HA ASP 71 -9.123 -0.209 8.643 560 HB2 ASP 71 HB2 ASP 71 -8.534 2.213 8.372 561 HB3 ASP 71 HB1 ASP 71 -9.991 2.407 7.394 Start of MODEL 2 1 H1 ASN 1 HT1 ASN 1 1.644 21.813 6.327 2 H2 ASN 1 HT2 ASN 1 1.424 23.459 5.971 3 H3 ASN 1 HT3 ASN 1 1.089 22.872 7.530 4 HA ASN 1 HA ASN 1 3.482 23.923 6.576 5 HB2 ASN 1 HB2 ASN 1 2.628 22.553 9.137 6 HB3 ASN 1 HB1 ASN 1 4.197 23.333 8.945 7 HD21 ASN 1 HD21 ASN 1 2.206 24.263 10.832 8 HD22 ASN 1 HD22 ASN 1 1.705 25.805 10.330 9 H LEU 2 HN LEU 2 5.505 23.054 6.245 10 HA LEU 2 HA LEU 2 5.959 20.200 6.603 11 HB2 LEU 2 HB2 LEU 2 6.573 19.817 4.261 12 HB3 LEU 2 HB1 LEU 2 4.886 20.319 4.385 13 HG LEU 2 HG LEU 2 6.131 22.740 4.151 14 HD11 LEU 2 HD11 LEU 2 7.713 22.389 2.182 15 HD12 LEU 2 HD12 LEU 2 7.729 20.680 2.612 16 HD13 LEU 2 HD13 LEU 2 8.332 21.882 3.753 17 HD21 LEU 2 HD21 LEU 2 5.282 22.741 1.873 18 HD22 LEU 2 HD22 LEU 2 4.165 21.819 2.878 19 HD23 LEU 2 HD23 LEU 2 5.300 20.978 1.824 20 H THR 3 HN THR 3 8.251 19.671 5.680 21 HA THR 3 HA THR 3 10.055 21.957 6.206 22 HB THR 3 HB THR 3 11.553 20.439 7.418 23 HG1 THR 3 HG1 THR 3 11.059 18.347 7.673 24 HG21 THR 3 HG21 THR 3 8.699 20.350 8.434 25 HG22 THR 3 HG22 THR 3 9.839 21.673 8.684 26 HG23 THR 3 HG23 THR 3 10.143 20.097 9.413 27 H LYS 4 HN LYS 4 12.217 21.697 5.281 28 HA LYS 4 HA LYS 4 12.152 20.034 2.835 29 HB2 LYS 4 HB2 LYS 4 12.111 22.433 2.349 30 HB3 LYS 4 HB1 LYS 4 13.567 22.664 3.320 31 HG2 LYS 4 HG2 LYS 4 14.862 21.265 1.813 32 HG3 LYS 4 HG1 LYS 4 13.412 20.849 0.897 33 HD2 LYS 4 HD2 LYS 4 14.581 22.579 -0.323 34 HD3 LYS 4 HD1 LYS 4 13.130 23.300 0.377 35 HE2 LYS 4 HE2 LYS 4 14.443 24.212 2.232 36 HE3 LYS 4 HE1 LYS 4 15.898 23.430 1.615 37 HZ1 LYS 4 HZ1 LYS 4 16.060 24.884 -0.115 38 HZ2 LYS 4 HZ2 LYS 4 15.349 25.907 1.041 39 HZ3 LYS 4 HZ3 LYS 4 14.395 25.199 -0.173 40 H GLN 5 HN GLN 5 13.619 18.483 2.678 41 HA GLN 5 HA GLN 5 16.283 18.797 3.776 42 HB2 GLN 5 HB2 GLN 5 16.197 16.743 5.132 43 HB3 GLN 5 HB1 GLN 5 15.059 17.947 5.732 44 HG2 GLN 5 HG2 GLN 5 13.998 16.048 3.702 45 HG3 GLN 5 HG1 GLN 5 14.370 15.369 5.282 46 HE21 GLN 5 HE21 GLN 5 12.168 15.109 5.970 47 HE22 GLN 5 HE22 GLN 5 11.137 16.449 6.253 48 H LYS 6 HN LYS 6 17.751 17.126 3.025 49 HA LYS 6 HA LYS 6 16.793 15.927 0.508 50 HB2 LYS 6 HB2 LYS 6 18.738 17.449 0.373 51 HB3 LYS 6 HB1 LYS 6 19.620 16.405 1.487 52 HG2 LYS 6 HG2 LYS 6 19.463 14.542 -0.100 53 HG3 LYS 6 HG1 LYS 6 18.530 15.546 -1.209 54 HD2 LYS 6 HD2 LYS 6 20.434 17.125 -1.370 55 HD3 LYS 6 HD1 LYS 6 21.373 16.087 -0.298 56 HE2 LYS 6 HE2 LYS 6 20.218 15.194 -2.955 57 HE3 LYS 6 HE1 LYS 6 21.886 15.714 -2.721 58 HZ1 LYS 6 HZ1 LYS 6 22.428 13.790 -1.752 59 HZ2 LYS 6 HZ2 LYS 6 21.012 13.183 -2.466 60 HZ3 LYS 6 HZ3 LYS 6 20.996 13.703 -0.852 61 H GLU 7 HN GLU 7 16.215 13.861 0.638 62 HA GLU 7 HA GLU 7 16.858 12.149 2.797 63 HB2 GLU 7 HB2 GLU 7 15.729 11.601 0.049 64 HB3 GLU 7 HB1 GLU 7 15.913 10.360 1.288 65 HG2 GLU 7 HG2 GLU 7 14.467 11.573 2.809 66 HG3 GLU 7 HG1 GLU 7 14.380 12.938 1.697 67 H ALA 8 HN ALA 8 18.220 12.526 -0.444 68 HA ALA 8 HA ALA 8 20.197 11.806 -1.361 69 HB1 ALA 8 HB1 ALA 8 21.023 11.066 1.448 70 HB2 ALA 8 HB2 ALA 8 21.100 12.711 0.818 71 HB3 ALA 8 HB3 ALA 8 22.073 11.436 0.082 72 H VAL 9 HN VAL 9 17.987 10.022 -1.221 73 HA VAL 9 HA VAL 9 19.431 7.449 -1.270 74 HB VAL 9 HB VAL 9 17.436 6.333 -0.349 75 HG11 VAL 9 HG11 VAL 9 18.313 8.611 1.446 76 HG12 VAL 9 HG12 VAL 9 19.314 7.198 1.113 77 HG13 VAL 9 HG13 VAL 9 17.768 7.008 1.942 78 HG21 VAL 9 HG21 VAL 9 15.767 7.975 0.810 79 HG22 VAL 9 HG22 VAL 9 15.614 7.720 -0.925 80 HG23 VAL 9 HG23 VAL 9 16.401 9.173 -0.319 81 H ASN 10 HN ASN 10 18.318 5.806 -2.633 82 HA ASN 10 HA ASN 10 17.479 7.004 -5.109 83 HB2 ASN 10 HB2 ASN 10 17.485 4.762 -5.997 84 HB3 ASN 10 HB1 ASN 10 18.909 4.957 -4.977 85 HD21 ASN 10 HD21 ASN 10 18.053 2.355 -5.410 86 HD22 ASN 10 HD22 ASN 10 17.310 1.735 -3.993 87 H ASP 11 HN ASP 11 15.837 6.455 -2.349 88 HA ASP 11 HA ASP 11 13.314 5.701 -3.665 89 HB2 ASP 11 HB2 ASP 11 14.156 5.772 -0.763 90 HB3 ASP 11 HB1 ASP 11 12.490 5.511 -1.279 91 H LYS 12 HN LYS 12 11.545 6.978 -3.592 92 HA LYS 12 HA LYS 12 11.959 9.751 -3.655 93 HB2 LYS 12 HB2 LYS 12 9.438 8.104 -3.426 94 HB3 LYS 12 HB1 LYS 12 9.454 9.840 -3.620 95 HG2 LYS 12 HG2 LYS 12 10.639 9.678 -5.725 96 HG3 LYS 12 HG1 LYS 12 10.820 7.935 -5.520 97 HD2 LYS 12 HD2 LYS 12 8.972 8.315 -7.037 98 HD3 LYS 12 HD1 LYS 12 8.309 7.748 -5.505 99 HE2 LYS 12 HE2 LYS 12 7.774 10.043 -4.848 100 HE3 LYS 12 HE1 LYS 12 8.522 10.663 -6.320 101 HZ1 LYS 12 HZ1 LYS 12 6.137 10.518 -6.572 102 HZ2 LYS 12 HZ2 LYS 12 6.161 8.866 -6.180 103 HZ3 LYS 12 HZ3 LYS 12 6.893 9.412 -7.611 104 H GLY 13 HN GLY 13 10.742 7.601 -1.103 105 HA2 GLY 13 HA2 GLY 13 11.614 9.123 1.034 106 HA3 GLY 13 HA1 GLY 13 9.989 9.682 0.661 107 H LYS 14 HN LYS 14 10.569 8.499 3.112 108 HA LYS 14 HA LYS 14 9.924 5.732 3.107 109 HB2 LYS 14 HB2 LYS 14 9.525 7.819 5.266 110 HB3 LYS 14 HB1 LYS 14 9.427 6.071 5.501 111 HG2 LYS 14 HG2 LYS 14 11.764 5.853 4.680 112 HG3 LYS 14 HG1 LYS 14 11.855 7.609 4.547 113 HD2 LYS 14 HD2 LYS 14 11.419 7.839 6.956 114 HD3 LYS 14 HD1 LYS 14 11.312 6.086 7.110 115 HE2 LYS 14 HE2 LYS 14 13.547 6.827 7.767 116 HE3 LYS 14 HE1 LYS 14 13.647 5.896 6.272 117 HZ1 LYS 14 HZ1 LYS 14 14.849 8.169 6.462 118 HZ2 LYS 14 HZ2 LYS 14 13.310 8.812 6.140 119 HZ3 LYS 14 HZ3 LYS 14 14.044 7.762 5.026 120 H ALA 15 HN ALA 15 7.972 8.549 4.079 121 HA ALA 15 HA ALA 15 5.485 7.270 3.922 122 HB1 ALA 15 HB1 ALA 15 6.458 10.085 3.890 123 HB2 ALA 15 HB2 ALA 15 5.292 9.315 4.967 124 HB3 ALA 15 HB3 ALA 15 4.804 9.802 3.345 125 H ALA 16 HN ALA 16 5.743 9.911 1.655 126 HA ALA 16 HA ALA 16 4.601 9.704 -0.494 127 HB1 ALA 16 HB1 ALA 16 6.605 10.848 -0.817 128 HB2 ALA 16 HB2 ALA 16 6.687 9.538 -1.993 129 HB3 ALA 16 HB3 ALA 16 7.579 9.419 -0.477 130 H VAL 17 HN VAL 17 7.213 7.306 -0.790 131 HA VAL 17 HA VAL 17 5.844 5.781 -2.702 132 HB VAL 17 HB VAL 17 7.973 4.967 -0.731 133 HG11 VAL 17 HG11 VAL 17 6.887 2.982 -1.384 134 HG12 VAL 17 HG12 VAL 17 8.277 3.113 -2.456 135 HG13 VAL 17 HG13 VAL 17 6.665 3.543 -3.041 136 HG21 VAL 17 HG21 VAL 17 7.954 5.958 -3.587 137 HG22 VAL 17 HG22 VAL 17 9.323 5.063 -2.924 138 HG23 VAL 17 HG23 VAL 17 8.843 6.599 -2.206 139 H VAL 18 HN VAL 18 6.176 5.178 0.795 140 HA VAL 18 HA VAL 18 4.476 2.942 0.902 141 HB VAL 18 HB VAL 18 5.167 5.067 2.932 142 HG11 VAL 18 HG11 VAL 18 3.211 4.200 3.837 143 HG12 VAL 18 HG12 VAL 18 4.388 3.061 4.482 144 HG13 VAL 18 HG13 VAL 18 3.422 2.626 3.076 145 HG21 VAL 18 HG21 VAL 18 6.114 2.199 2.658 146 HG22 VAL 18 HG22 VAL 18 6.739 3.424 3.761 147 HG23 VAL 18 HG23 VAL 18 7.003 3.584 2.025 148 H LYS 19 HN LYS 19 4.048 6.365 1.053 149 HA LYS 19 HA LYS 19 1.398 6.528 1.857 150 HB2 LYS 19 HB2 LYS 19 3.147 8.420 1.543 151 HB3 LYS 19 HB1 LYS 19 2.536 8.487 -0.109 152 HG2 LYS 19 HG2 LYS 19 1.239 10.063 1.136 153 HG3 LYS 19 HG1 LYS 19 0.202 8.654 0.895 154 HD2 LYS 19 HD2 LYS 19 -0.090 8.864 3.163 155 HD3 LYS 19 HD1 LYS 19 1.404 7.916 3.187 156 HE2 LYS 19 HE2 LYS 19 2.731 9.962 3.361 157 HE3 LYS 19 HE1 LYS 19 1.272 10.946 3.262 158 HZ1 LYS 19 HZ1 LYS 19 0.560 9.465 5.267 159 HZ2 LYS 19 HZ2 LYS 19 1.561 10.818 5.510 160 HZ3 LYS 19 HZ3 LYS 19 2.233 9.257 5.460 161 H VAL 20 HN VAL 20 2.693 6.203 -1.467 162 HA VAL 20 HA VAL 20 0.126 6.436 -2.629 163 HB VAL 20 HB VAL 20 1.931 6.789 -4.130 164 HG11 VAL 20 HG11 VAL 20 2.806 4.064 -3.193 165 HG12 VAL 20 HG12 VAL 20 3.702 5.590 -3.115 166 HG13 VAL 20 HG13 VAL 20 3.431 4.800 -4.671 167 HG21 VAL 20 HG21 VAL 20 1.329 5.288 -5.915 168 HG22 VAL 20 HG22 VAL 20 -0.123 5.516 -4.940 169 HG23 VAL 20 HG23 VAL 20 0.828 4.034 -4.773 170 H VAL 21 HN VAL 21 1.810 3.851 -1.083 171 HA VAL 21 HA VAL 21 0.009 1.841 -2.159 172 HB VAL 21 HB VAL 21 1.419 0.306 -1.353 173 HG11 VAL 21 HG11 VAL 21 3.676 1.052 -0.811 174 HG12 VAL 21 HG12 VAL 21 3.072 2.665 -0.508 175 HG13 VAL 21 HG13 VAL 21 3.013 2.009 -2.134 176 HG21 VAL 21 HG21 VAL 21 2.276 0.321 1.013 177 HG22 VAL 21 HG22 VAL 21 0.524 0.353 0.882 178 HG23 VAL 21 HG23 VAL 21 1.401 1.825 1.265 179 H GLU 22 HN GLU 22 0.344 3.724 0.841 180 HA GLU 22 HA GLU 22 -1.787 2.496 2.319 181 HB2 GLU 22 HB2 GLU 22 -0.687 5.336 2.286 182 HB3 GLU 22 HB1 GLU 22 -1.838 4.727 3.474 183 HG2 GLU 22 HG2 GLU 22 -0.228 3.030 4.204 184 HG3 GLU 22 HG1 GLU 22 0.896 3.551 2.962 185 H SER 23 HN SER 23 -1.517 5.014 -0.082 186 HA SER 23 HA SER 23 -4.302 5.576 -0.027 187 HB2 SER 23 HB2 SER 23 -2.687 7.357 -0.455 188 HB3 SER 23 HB1 SER 23 -2.164 6.524 -1.916 189 HG SER 23 HG SER 23 -3.752 7.511 -2.860 190 H GLN 24 HN GLN 24 -2.512 3.106 -1.439 191 HA GLN 24 HA GLN 24 -4.100 2.900 -3.885 192 HB2 GLN 24 HB2 GLN 24 -1.648 2.187 -3.821 193 HB3 GLN 24 HB1 GLN 24 -2.179 0.849 -2.807 194 HG2 GLN 24 HG2 GLN 24 -3.975 0.836 -4.965 195 HG3 GLN 24 HG1 GLN 24 -2.416 1.182 -5.705 196 HE21 GLN 24 HE21 GLN 24 -2.616 -1.067 -6.709 197 HE22 GLN 24 HE22 GLN 24 -2.198 -2.459 -5.765 198 H ALA 25 HN ALA 25 -3.350 1.294 -1.021 199 HA ALA 25 HA ALA 25 -5.403 -0.637 -1.126 200 HB1 ALA 25 HB1 ALA 25 -4.244 0.062 1.429 201 HB2 ALA 25 HB2 ALA 25 -3.103 -0.467 0.210 202 HB3 ALA 25 HB3 ALA 25 -4.432 -1.515 0.697 203 H GLU 26 HN GLU 26 -4.959 2.467 0.355 204 HA GLU 26 HA GLU 26 -7.055 2.535 2.167 205 HB2 GLU 26 HB2 GLU 26 -6.005 4.574 2.178 206 HB3 GLU 26 HB1 GLU 26 -5.815 4.596 0.431 207 HG2 GLU 26 HG2 GLU 26 -8.136 5.179 0.085 208 HG3 GLU 26 HG1 GLU 26 -8.502 4.890 1.788 209 H LEU 27 HN LEU 27 -7.169 3.163 -1.379 210 HA LEU 27 HA LEU 27 -9.971 3.517 -1.357 211 HB2 LEU 27 HB2 LEU 27 -8.185 2.523 -3.498 212 HB3 LEU 27 HB1 LEU 27 -9.970 2.423 -3.584 213 HG LEU 27 HG LEU 27 -10.211 4.736 -3.732 214 HD11 LEU 27 HD11 LEU 27 -8.358 6.332 -2.986 215 HD12 LEU 27 HD12 LEU 27 -7.569 4.929 -2.268 216 HD13 LEU 27 HD13 LEU 27 -9.161 5.433 -1.700 217 HD21 LEU 27 HD21 LEU 27 -8.894 3.953 -5.675 218 HD22 LEU 27 HD22 LEU 27 -7.403 4.318 -4.802 219 HD23 LEU 27 HD23 LEU 27 -8.500 5.622 -5.266 220 H TYR 28 HN TYR 28 -7.990 0.651 -1.371 221 HA TYR 28 HA TYR 28 -9.926 -1.087 -2.175 222 HB2 TYR 28 HB2 TYR 28 -8.053 -1.578 0.101 223 HB3 TYR 28 HB1 TYR 28 -8.996 -2.765 -0.743 224 HD1 TYR 28 HD1 TYR 28 -6.327 -3.446 -0.770 225 HD2 TYR 28 HD2 TYR 28 -8.305 -0.566 -3.274 226 HE1 TYR 28 HE1 TYR 28 -4.610 -3.754 -2.511 227 HE2 TYR 28 HE2 TYR 28 -6.574 -0.879 -5.001 228 HH TYR 28 HH TYR 28 -3.712 -2.766 -4.408 229 H SER 29 HN SER 29 -9.547 0.265 0.972 230 HA SER 29 HA SER 29 -11.690 -0.983 2.293 231 HB2 SER 29 HB2 SER 29 -10.488 1.773 2.661 232 HB3 SER 29 HB1 SER 29 -11.644 1.030 3.769 233 HG SER 29 HG SER 29 -9.195 -0.152 2.986 234 H LEU 30 HN LEU 30 -11.438 1.895 0.246 235 HA LEU 30 HA LEU 30 -14.129 2.745 0.539 236 HB2 LEU 30 HB2 LEU 30 -12.517 4.319 -0.242 237 HB3 LEU 30 HB1 LEU 30 -12.056 3.268 -1.575 238 HG LEU 30 HG LEU 30 -14.354 3.507 -2.519 239 HD11 LEU 30 HD11 LEU 30 -15.815 5.287 -1.522 240 HD12 LEU 30 HD12 LEU 30 -14.695 5.386 -0.161 241 HD13 LEU 30 HD13 LEU 30 -15.591 3.896 -0.458 242 HD21 LEU 30 HD21 LEU 30 -13.015 6.159 -1.891 243 HD22 LEU 30 HD22 LEU 30 -14.126 5.849 -3.227 244 HD23 LEU 30 HD23 LEU 30 -12.544 5.070 -3.195 245 H GLU 31 HN GLU 31 -12.494 1.041 -2.008 246 HA GLU 31 HA GLU 31 -14.873 0.142 -3.270 247 HB2 GLU 31 HB2 GLU 31 -13.093 0.777 -4.727 248 HB3 GLU 31 HB1 GLU 31 -11.937 -0.216 -3.850 249 HG2 GLU 31 HG2 GLU 31 -12.605 -1.239 -6.006 250 HG3 GLU 31 HG1 GLU 31 -13.045 -2.261 -4.644 251 H LYS 32 HN LYS 32 -12.198 -1.973 -2.983 252 HA LYS 32 HA LYS 32 -12.890 -4.421 -2.616 253 HB2 LYS 32 HB2 LYS 32 -10.931 -3.081 -0.797 254 HB3 LYS 32 HB1 LYS 32 -10.991 -4.777 -1.116 255 HG2 LYS 32 HG2 LYS 32 -11.000 -3.126 -3.540 256 HG3 LYS 32 HG1 LYS 32 -9.554 -2.974 -2.631 257 HD2 LYS 32 HD2 LYS 32 -10.744 -5.618 -3.447 258 HD3 LYS 32 HD1 LYS 32 -9.452 -4.799 -4.328 259 HE2 LYS 32 HE2 LYS 32 -8.249 -4.749 -1.987 260 HE3 LYS 32 HE1 LYS 32 -9.378 -6.049 -1.599 261 HZ1 LYS 32 HZ1 LYS 32 -7.721 -7.277 -2.490 262 HZ2 LYS 32 HZ2 LYS 32 -7.164 -6.028 -3.497 263 HZ3 LYS 32 HZ3 LYS 32 -8.544 -6.921 -3.927 264 H ASN 33 HN ASN 33 -13.435 -2.136 -0.018 265 HA ASN 33 HA ASN 33 -14.982 -2.169 1.691 266 HB2 ASN 33 HB2 ASN 33 -15.424 -5.118 1.167 267 HB3 ASN 33 HB1 ASN 33 -16.432 -4.026 2.112 268 HD21 ASN 33 HD21 ASN 33 -16.382 -5.531 -0.831 269 HD22 ASN 33 HD22 ASN 33 -17.262 -4.381 -1.750 270 H GLU 34 HN GLU 34 -13.511 -5.482 1.813 271 HA GLU 34 HA GLU 34 -11.928 -4.530 4.082 272 HB2 GLU 34 HB2 GLU 34 -13.998 -5.475 5.018 273 HB3 GLU 34 HB1 GLU 34 -13.691 -6.987 4.161 274 HG2 GLU 34 HG2 GLU 34 -11.580 -7.274 5.380 275 HG3 GLU 34 HG1 GLU 34 -11.838 -5.744 6.215 276 H ASP 35 HN ASP 35 -9.967 -4.830 3.222 277 HA ASP 35 HA ASP 35 -9.169 -7.562 2.665 278 HB2 ASP 35 HB2 ASP 35 -9.834 -6.688 0.473 279 HB3 ASP 35 HB1 ASP 35 -8.716 -5.341 0.680 280 H ALA 36 HN ALA 36 -8.616 -4.700 4.116 281 HA ALA 36 HA ALA 36 -6.166 -3.746 4.071 282 HB1 ALA 36 HB1 ALA 36 -7.048 -2.888 5.944 283 HB2 ALA 36 HB2 ALA 36 -6.403 -4.293 6.784 284 HB3 ALA 36 HB3 ALA 36 -8.062 -4.303 6.198 285 H SER 37 HN SER 37 -4.393 -4.481 3.554 286 HA SER 37 HA SER 37 -2.614 -5.715 5.101 287 HB2 SER 37 HB2 SER 37 -3.815 -7.699 5.380 288 HB3 SER 37 HB1 SER 37 -4.261 -7.712 3.677 289 HG SER 37 HG SER 37 -2.038 -8.660 4.915 290 H LEU 38 HN LEU 38 -1.086 -4.632 4.046 291 HA LEU 38 HA LEU 38 -0.882 -4.450 1.256 292 HB2 LEU 38 HB2 LEU 38 0.264 -3.125 3.305 293 HB3 LEU 38 HB1 LEU 38 1.539 -4.271 2.985 294 HG LEU 38 HG LEU 38 1.247 -1.820 1.796 295 HD11 LEU 38 HD11 LEU 38 2.594 -4.129 0.398 296 HD12 LEU 38 HD12 LEU 38 3.185 -3.518 1.938 297 HD13 LEU 38 HD13 LEU 38 3.132 -2.456 0.536 298 HD21 LEU 38 HD21 LEU 38 0.364 -3.862 -0.258 299 HD22 LEU 38 HD22 LEU 38 0.681 -2.149 -0.535 300 HD23 LEU 38 HD23 LEU 38 -0.669 -2.640 0.460 301 H ARG 39 HN ARG 39 -0.353 -6.874 3.419 302 HA ARG 39 HA ARG 39 1.812 -8.158 2.115 303 HB2 ARG 39 HB2 ARG 39 0.014 -9.486 4.069 304 HB3 ARG 39 HB1 ARG 39 1.765 -9.634 3.893 305 HG2 ARG 39 HG2 ARG 39 1.670 -7.022 4.502 306 HG3 ARG 39 HG1 ARG 39 0.151 -7.503 5.303 307 HD2 ARG 39 HD2 ARG 39 1.621 -9.399 6.351 308 HD3 ARG 39 HD1 ARG 39 3.008 -8.436 5.814 309 HE ARG 39 HE ARG 39 2.485 -6.841 7.438 310 HH11 ARG 39 HH11 ARG 39 -0.085 -9.184 7.151 311 HH12 ARG 39 HH12 ARG 39 -0.882 -8.667 8.595 312 HH21 ARG 39 HH21 ARG 39 1.431 -6.196 9.331 313 HH22 ARG 39 HH22 ARG 39 -0.031 -6.983 9.822 314 H LYS 40 HN LYS 40 -1.599 -8.598 2.503 315 HA LYS 40 HA LYS 40 -1.770 -10.843 0.785 316 HB2 LYS 40 HB2 LYS 40 -3.485 -9.156 2.380 317 HB3 LYS 40 HB1 LYS 40 -4.226 -10.045 1.038 318 HG2 LYS 40 HG2 LYS 40 -4.204 -11.356 3.202 319 HG3 LYS 40 HG1 LYS 40 -3.399 -12.161 1.856 320 HD2 LYS 40 HD2 LYS 40 -1.214 -11.467 2.665 321 HD3 LYS 40 HD1 LYS 40 -1.954 -10.480 3.919 322 HE2 LYS 40 HE2 LYS 40 -2.910 -12.489 4.968 323 HE3 LYS 40 HE1 LYS 40 -2.220 -13.491 3.692 324 HZ1 LYS 40 HZ1 LYS 40 -0.609 -13.660 5.273 325 HZ2 LYS 40 HZ2 LYS 40 -0.884 -12.106 5.901 326 HZ3 LYS 40 HZ3 LYS 40 -0.034 -12.299 4.442 327 H LEU 41 HN LEU 41 -2.979 -7.461 0.441 328 HA LEU 41 HA LEU 41 -4.067 -7.928 -2.091 329 HB2 LEU 41 HB2 LEU 41 -4.214 -5.604 -2.379 330 HB3 LEU 41 HB1 LEU 41 -4.304 -5.803 -0.632 331 HG LEU 41 HG LEU 41 -1.641 -5.491 -0.893 332 HD11 LEU 41 HD11 LEU 41 -1.353 -3.613 -2.567 333 HD12 LEU 41 HD12 LEU 41 -2.913 -4.095 -3.233 334 HD13 LEU 41 HD13 LEU 41 -1.559 -5.222 -3.253 335 HD21 LEU 41 HD21 LEU 41 -2.742 -4.093 0.599 336 HD22 LEU 41 HD22 LEU 41 -3.867 -3.507 -0.620 337 HD23 LEU 41 HD23 LEU 41 -2.197 -2.959 -0.628 338 H GLN 42 HN GLN 42 -0.830 -7.000 -1.033 339 HA GLN 42 HA GLN 42 0.236 -7.028 -3.534 340 HB2 GLN 42 HB2 GLN 42 1.194 -5.865 -1.566 341 HB3 GLN 42 HB1 GLN 42 1.583 -7.427 -0.876 342 HG2 GLN 42 HG2 GLN 42 3.168 -5.895 -2.577 343 HG3 GLN 42 HG1 GLN 42 3.466 -7.477 -2.020 344 HE21 GLN 42 HE21 GLN 42 1.390 -5.980 -4.456 345 HE22 GLN 42 HE22 GLN 42 1.721 -7.118 -5.637 346 H ALA 43 HN ALA 43 -0.279 -9.541 -1.054 347 HA ALA 43 HA ALA 43 1.313 -11.502 -1.906 348 HB1 ALA 43 HB1 ALA 43 -1.575 -11.858 -1.404 349 HB2 ALA 43 HB2 ALA 43 -0.359 -11.720 -0.134 350 HB3 ALA 43 HB3 ALA 43 -0.337 -13.092 -1.237 351 H ASP 44 HN ASP 44 -1.623 -10.298 -3.357 352 HA ASP 44 HA ASP 44 -1.936 -12.245 -5.420 353 HB2 ASP 44 HB2 ASP 44 -3.736 -10.675 -4.677 354 HB3 ASP 44 HB1 ASP 44 -2.831 -9.350 -5.406 355 H GLY 45 HN GLY 45 -0.334 -9.073 -5.211 356 HA2 GLY 45 HA2 GLY 45 1.838 -8.885 -6.340 357 HA3 GLY 45 HA1 GLY 45 1.107 -9.747 -7.667 358 H ARG 46 HN ARG 46 -1.014 -7.530 -6.295 359 HA ARG 46 HA ARG 46 -1.537 -5.885 -8.455 360 HB2 ARG 46 HB2 ARG 46 -1.675 -5.277 -5.494 361 HB3 ARG 46 HB1 ARG 46 -2.585 -4.462 -6.760 362 HG2 ARG 46 HG2 ARG 46 -3.925 -6.330 -7.185 363 HG3 ARG 46 HG1 ARG 46 -2.801 -7.452 -6.440 364 HD2 ARG 46 HD2 ARG 46 -4.426 -7.247 -4.794 365 HD3 ARG 46 HD1 ARG 46 -3.207 -6.049 -4.296 366 HE ARG 46 HE ARG 46 -4.718 -4.370 -4.850 367 HH11 ARG 46 HH11 ARG 46 -5.827 -7.441 -6.061 368 HH12 ARG 46 HH12 ARG 46 -7.388 -6.848 -6.505 369 HH21 ARG 46 HH21 ARG 46 -6.783 -3.607 -5.470 370 HH22 ARG 46 HH22 ARG 46 -7.925 -4.696 -6.173 371 H ILE 47 HN ILE 47 0.413 -5.419 -5.706 372 HA ILE 47 HA ILE 47 1.866 -3.116 -6.846 373 HB ILE 47 HB ILE 47 2.038 -2.130 -4.748 374 HG12 ILE 47 HG12 ILE 47 0.822 -4.307 -3.182 375 HG13 ILE 47 HG11 ILE 47 2.433 -4.630 -3.731 376 HG21 ILE 47 HG21 ILE 47 -0.544 -3.662 -4.656 377 HG22 ILE 47 HG22 ILE 47 -0.246 -2.290 -5.728 378 HG23 ILE 47 HG23 ILE 47 -0.215 -2.068 -3.980 379 HD11 ILE 47 HD11 ILE 47 2.130 -3.433 -1.485 380 HD12 ILE 47 HD12 ILE 47 1.742 -2.008 -2.439 381 HD13 ILE 47 HD13 ILE 47 3.324 -2.791 -2.584 382 H THR 48 HN THR 48 2.559 -5.940 -7.177 383 HA THR 48 HA THR 48 4.302 -7.432 -6.778 384 HB THR 48 HB THR 48 4.868 -5.807 -8.601 385 HG1 THR 48 HG1 THR 48 6.131 -7.690 -8.026 386 HG21 THR 48 HG21 THR 48 5.210 -3.816 -7.218 387 HG22 THR 48 HG22 THR 48 6.668 -4.181 -8.136 388 HG23 THR 48 HG23 THR 48 6.584 -4.581 -6.426 389 H GLU 49 HN GLU 49 6.610 -7.672 -5.755 390 HA GLU 49 HA GLU 49 6.256 -6.958 -2.986 391 HB2 GLU 49 HB2 GLU 49 8.170 -8.404 -2.535 392 HB3 GLU 49 HB1 GLU 49 7.038 -9.216 -3.613 393 HG2 GLU 49 HG2 GLU 49 9.217 -7.621 -4.890 394 HG3 GLU 49 HG1 GLU 49 9.675 -9.134 -4.116 395 H GLU 50 HN GLU 50 7.941 -5.580 -5.588 396 HA GLU 50 HA GLU 50 10.173 -4.510 -4.234 397 HB2 GLU 50 HB2 GLU 50 8.680 -3.562 -6.676 398 HB3 GLU 50 HB1 GLU 50 10.191 -2.844 -6.117 399 HG2 GLU 50 HG2 GLU 50 9.849 -5.793 -6.726 400 HG3 GLU 50 HG1 GLU 50 10.496 -4.622 -7.874 401 H GLN 51 HN GLN 51 7.005 -2.926 -4.912 402 HA GLN 51 HA GLN 51 7.803 -0.669 -3.363 403 HB2 GLN 51 HB2 GLN 51 5.835 0.378 -4.103 404 HB3 GLN 51 HB1 GLN 51 6.352 -0.601 -5.472 405 HG2 GLN 51 HG2 GLN 51 4.266 -1.442 -5.457 406 HG3 GLN 51 HG1 GLN 51 4.763 -2.344 -4.021 407 HE21 GLN 51 HE21 GLN 51 2.638 0.121 -5.178 408 HE22 GLN 51 HE22 GLN 51 2.066 0.632 -3.644 409 H ALA 52 HN ALA 52 6.142 -3.653 -2.886 410 HA ALA 52 HA ALA 52 4.837 -2.785 -0.532 411 HB1 ALA 52 HB1 ALA 52 3.809 -4.599 -1.293 412 HB2 ALA 52 HB2 ALA 52 4.924 -5.381 -0.168 413 HB3 ALA 52 HB3 ALA 52 5.279 -5.354 -1.902 414 H LYS 53 HN LYS 53 7.929 -3.832 -1.590 415 HA LYS 53 HA LYS 53 8.972 -4.478 0.958 416 HB2 LYS 53 HB2 LYS 53 10.035 -4.193 -1.741 417 HB3 LYS 53 HB1 LYS 53 11.133 -3.618 -0.480 418 HG2 LYS 53 HG2 LYS 53 10.959 -5.672 0.734 419 HG3 LYS 53 HG1 LYS 53 9.674 -6.252 -0.355 420 HD2 LYS 53 HD2 LYS 53 11.178 -6.549 -2.160 421 HD3 LYS 53 HD1 LYS 53 12.405 -5.514 -1.426 422 HE2 LYS 53 HE2 LYS 53 13.040 -7.887 -1.231 423 HE3 LYS 53 HE1 LYS 53 12.746 -7.186 0.360 424 HZ1 LYS 53 HZ1 LYS 53 10.475 -8.090 0.249 425 HZ2 LYS 53 HZ2 LYS 53 11.663 -9.302 0.215 426 HZ3 LYS 53 HZ3 LYS 53 10.862 -8.854 -1.215 427 H ALA 54 HN ALA 54 8.284 -1.673 -0.872 428 HA ALA 54 HA ALA 54 9.855 0.165 0.610 429 HB1 ALA 54 HB1 ALA 54 7.166 0.974 -0.412 430 HB2 ALA 54 HB2 ALA 54 8.374 0.484 -1.599 431 HB3 ALA 54 HB3 ALA 54 8.706 1.830 -0.507 432 H TYR 55 HN TYR 55 6.727 -1.452 0.987 433 HA TYR 55 HA TYR 55 6.079 0.060 3.387 434 HB2 TYR 55 HB2 TYR 55 4.340 -0.880 1.962 435 HB3 TYR 55 HB1 TYR 55 4.795 -2.499 2.516 436 HD1 TYR 55 HD1 TYR 55 3.832 0.881 3.665 437 HD2 TYR 55 HD2 TYR 55 4.007 -3.291 4.625 438 HE1 TYR 55 HE1 TYR 55 2.611 1.335 5.752 439 HE2 TYR 55 HE2 TYR 55 2.771 -2.850 6.740 440 HH TYR 55 HH TYR 55 2.501 0.090 8.110 441 H LYS 56 HN LYS 56 7.513 -3.067 2.677 442 HA LYS 56 HA LYS 56 7.684 -3.887 5.419 443 HB2 LYS 56 HB2 LYS 56 8.390 -4.944 2.836 444 HB3 LYS 56 HB1 LYS 56 9.758 -5.079 3.923 445 HG2 LYS 56 HG2 LYS 56 8.329 -6.204 5.598 446 HG3 LYS 56 HG1 LYS 56 6.924 -6.036 4.534 447 HD2 LYS 56 HD2 LYS 56 7.757 -8.262 4.215 448 HD3 LYS 56 HD1 LYS 56 8.256 -7.344 2.795 449 HE2 LYS 56 HE2 LYS 56 10.489 -7.027 3.746 450 HE3 LYS 56 HE1 LYS 56 10.000 -7.856 5.223 451 HZ1 LYS 56 HZ1 LYS 56 10.937 -9.574 4.093 452 HZ2 LYS 56 HZ2 LYS 56 10.543 -8.949 2.563 453 HZ3 LYS 56 HZ3 LYS 56 9.352 -9.712 3.505 454 H GLU 57 HN GLU 57 8.989 -1.570 3.568 455 HA GLU 57 HA GLU 57 11.454 -1.191 5.106 456 HB2 GLU 57 HB2 GLU 57 11.904 -0.737 2.823 457 HB3 GLU 57 HB1 GLU 57 10.482 0.258 2.652 458 HG2 GLU 57 HG2 GLU 57 11.436 1.887 4.238 459 HG3 GLU 57 HG1 GLU 57 12.869 0.871 4.383 460 H TYR 58 HN TYR 58 8.197 -0.005 4.508 461 HA TYR 58 HA TYR 58 8.284 2.348 5.961 462 HB2 TYR 58 HB2 TYR 58 6.203 1.603 4.745 463 HB3 TYR 58 HB1 TYR 58 5.972 0.389 5.997 464 HD1 TYR 58 HD1 TYR 58 6.628 4.062 5.672 465 HD2 TYR 58 HD2 TYR 58 4.635 0.929 7.828 466 HE1 TYR 58 HE1 TYR 58 5.503 5.756 7.089 467 HE2 TYR 58 HE2 TYR 58 3.511 2.626 9.248 468 HH TYR 58 HH TYR 58 2.931 5.392 8.694 469 H HIS 59 HN HIS 59 7.837 -1.008 6.881 470 HA HIS 59 HA HIS 59 7.829 -0.540 9.695 471 HB2 HIS 59 HB2 HIS 59 6.525 -2.367 8.884 472 HB3 HIS 59 HB1 HIS 59 7.930 -3.057 8.071 473 HD1 HIS 59 HD1 HIS 59 6.924 -2.103 11.642 474 HD2 HIS 59 HD2 HIS 59 9.256 -4.904 9.622 475 HE1 HIS 59 HE1 HIS 59 7.805 -3.699 13.397 476 HE2 HIS 59 HE2 HIS 59 9.235 -5.409 12.183 477 H ASP 60 HN ASP 60 10.130 -2.248 7.571 478 HA ASP 60 HA ASP 60 12.014 -2.817 9.541 479 HB2 ASP 60 HB2 ASP 60 12.363 -2.383 6.567 480 HB3 ASP 60 HB1 ASP 60 13.655 -2.935 7.631 481 H LYS 61 HN LYS 61 11.629 -0.086 7.372 482 HA LYS 61 HA LYS 61 13.945 1.124 8.316 483 HB2 LYS 61 HB2 LYS 61 12.305 1.689 6.219 484 HB3 LYS 61 HB1 LYS 61 12.041 3.040 7.310 485 HG2 LYS 61 HG2 LYS 61 14.699 1.988 6.507 486 HG3 LYS 61 HG1 LYS 61 13.933 3.344 5.702 487 HD2 LYS 61 HD2 LYS 61 13.836 4.533 7.890 488 HD3 LYS 61 HD1 LYS 61 14.702 3.189 8.635 489 HE2 LYS 61 HE2 LYS 61 16.603 3.562 7.107 490 HE3 LYS 61 HE1 LYS 61 15.741 4.911 6.366 491 HZ1 LYS 61 HZ1 LYS 61 17.117 5.894 7.944 492 HZ2 LYS 61 HZ2 LYS 61 16.815 4.696 9.111 493 HZ3 LYS 61 HZ3 LYS 61 15.610 5.830 8.719 494 H ASN 62 HN ASN 62 10.608 2.109 8.704 495 HA ASN 62 HA ASN 62 10.869 2.345 11.459 496 HB2 ASN 62 HB2 ASN 62 12.313 4.109 11.309 497 HB3 ASN 62 HB1 ASN 62 11.619 4.683 9.785 498 HD21 ASN 62 HD21 ASN 62 10.037 6.331 9.962 499 HD22 ASN 62 HD22 ASN 62 9.388 6.872 11.448 500 H GLY 63 HN GLY 63 8.968 1.333 11.406 501 HA2 GLY 63 HA2 GLY 63 6.651 2.644 11.959 502 HA3 GLY 63 HA1 GLY 63 6.613 2.582 10.193 503 H GLY 64 HN GLY 64 4.899 1.179 9.991 504 HA2 GLY 64 HA2 GLY 64 4.254 -1.015 9.445 505 HA3 GLY 64 HA1 GLY 64 5.488 -1.627 10.527 506 H ALA 65 HN ALA 65 2.630 -2.270 10.220 507 HA ALA 65 HA ALA 65 1.896 -2.942 12.768 508 HB1 ALA 65 HB1 ALA 65 1.043 -0.141 12.076 509 HB2 ALA 65 HB2 ALA 65 1.694 -0.760 13.595 510 HB3 ALA 65 HB3 ALA 65 0.039 -1.146 13.122 511 H ASN 66 HN ASN 66 0.299 -4.418 12.516 512 HA ASN 66 HA ASN 66 -1.214 -5.766 11.314 513 HB2 ASN 66 HB2 ASN 66 -3.357 -4.172 10.812 514 HB3 ASN 66 HB1 ASN 66 -2.911 -4.638 12.449 515 HD21 ASN 66 HD21 ASN 66 -2.722 -1.950 10.071 516 HD22 ASN 66 HD22 ASN 66 -2.405 -0.751 11.250 517 H ARG 67 HN ARG 67 -3.093 -5.007 9.398 518 HA ARG 67 HA ARG 67 -2.211 -5.716 7.064 519 HB2 ARG 67 HB2 ARG 67 -3.802 -3.787 6.145 520 HB3 ARG 67 HB1 ARG 67 -4.449 -5.144 7.028 521 HG2 ARG 67 HG2 ARG 67 -5.077 -3.860 8.745 522 HG3 ARG 67 HG1 ARG 67 -3.612 -2.983 8.807 523 HD2 ARG 67 HD2 ARG 67 -4.529 -1.246 7.825 524 HD3 ARG 67 HD1 ARG 67 -5.201 -2.179 6.487 525 HE ARG 67 HE ARG 67 -7.224 -2.199 7.675 526 HH11 ARG 67 HH11 ARG 67 -4.605 -1.222 9.754 527 HH12 ARG 67 HH12 ARG 67 -5.645 -0.779 11.063 528 HH21 ARG 67 HH21 ARG 67 -8.564 -1.626 9.409 529 HH22 ARG 67 HH22 ARG 67 -7.873 -1.005 10.869 530 H LYS 68 HN LYS 68 -2.535 -2.297 7.646 531 HA LYS 68 HA LYS 68 -0.091 -1.285 7.216 532 HB2 LYS 68 HB2 LYS 68 -0.434 -0.672 4.722 533 HB3 LYS 68 HB1 LYS 68 0.137 -2.278 5.126 534 HG2 LYS 68 HG2 LYS 68 -1.565 -3.056 3.872 535 HG3 LYS 68 HG1 LYS 68 -2.629 -2.601 5.142 536 HD2 LYS 68 HD2 LYS 68 -3.501 -1.616 3.245 537 HD3 LYS 68 HD1 LYS 68 -2.612 -0.332 4.029 538 HE2 LYS 68 HE2 LYS 68 -0.658 -1.444 2.548 539 HE3 LYS 68 HE1 LYS 68 -2.056 -1.719 1.519 540 HZ1 LYS 68 HZ1 LYS 68 -2.543 0.730 2.087 541 HZ2 LYS 68 HZ2 LYS 68 -1.413 0.340 0.883 542 HZ3 LYS 68 HZ3 LYS 68 -0.885 0.791 2.432 543 H VAL 69 HN VAL 69 -3.333 -1.164 5.850 544 HA VAL 69 HA VAL 69 -4.452 0.745 7.344 545 HB VAL 69 HB VAL 69 -3.069 2.564 6.846 546 HG11 VAL 69 HG11 VAL 69 -1.734 1.389 5.076 547 HG12 VAL 69 HG12 VAL 69 -2.199 3.010 4.605 548 HG13 VAL 69 HG13 VAL 69 -3.067 1.635 3.957 549 HG21 VAL 69 HG21 VAL 69 -5.595 2.747 6.201 550 HG22 VAL 69 HG22 VAL 69 -5.008 2.723 4.526 551 HG23 VAL 69 HG23 VAL 69 -4.493 4.005 5.629 552 H ASN 70 HN ASN 70 -6.399 0.012 6.958 553 HA ASN 70 HA ASN 70 -7.826 0.541 4.671 554 HB2 ASN 70 HB2 ASN 70 -6.008 -1.696 4.422 555 HB3 ASN 70 HB1 ASN 70 -7.673 -2.218 4.165 556 HD21 ASN 70 HD21 ASN 70 -6.272 -2.538 2.041 557 HD22 ASN 70 HD22 ASN 70 -6.430 -1.255 0.932 558 H ASP 71 HN ASP 71 -9.422 -1.890 4.550 559 HA ASP 71 HA ASP 71 -11.007 -3.066 5.755 560 HB2 ASP 71 HB2 ASP 71 -9.210 -3.076 7.590 561 HB3 ASP 71 HB1 ASP 71 -10.074 -1.690 8.243 Start of MODEL 3 1 H1 ASN 1 HT1 ASN 1 20.430 2.253 13.033 2 H2 ASN 1 HT2 ASN 1 20.334 0.721 13.762 3 H3 ASN 1 HT3 ASN 1 21.423 0.993 12.486 4 HA ASN 1 HA ASN 1 21.704 1.546 15.297 5 HB2 ASN 1 HB2 ASN 1 23.107 0.077 13.669 6 HB3 ASN 1 HB1 ASN 1 23.830 1.604 13.164 7 HD21 ASN 1 HD21 ASN 1 25.909 1.245 14.141 8 HD22 ASN 1 HD22 ASN 1 26.119 1.146 15.822 9 H LEU 2 HN LEU 2 22.540 3.222 12.253 10 HA LEU 2 HA LEU 2 23.519 5.574 13.473 11 HB2 LEU 2 HB2 LEU 2 22.371 5.063 10.722 12 HB3 LEU 2 HB1 LEU 2 23.091 6.599 11.203 13 HG LEU 2 HG LEU 2 24.538 3.944 11.414 14 HD11 LEU 2 HD11 LEU 2 23.994 4.494 9.054 15 HD12 LEU 2 HD12 LEU 2 25.725 4.606 9.370 16 HD13 LEU 2 HD13 LEU 2 24.751 6.072 9.262 17 HD21 LEU 2 HD21 LEU 2 25.517 5.557 12.882 18 HD22 LEU 2 HD22 LEU 2 25.331 6.854 11.701 19 HD23 LEU 2 HD23 LEU 2 26.522 5.582 11.433 20 H THR 3 HN THR 3 20.301 4.645 12.341 21 HA THR 3 HA THR 3 18.238 5.633 12.564 22 HB THR 3 HB THR 3 17.682 6.397 14.765 23 HG1 THR 3 HG1 THR 3 19.431 6.821 16.247 24 HG21 THR 3 HG21 THR 3 19.900 4.341 14.931 25 HG22 THR 3 HG22 THR 3 18.209 4.002 14.567 26 HG23 THR 3 HG23 THR 3 18.663 4.615 16.157 27 H LYS 4 HN LYS 4 20.527 7.252 11.364 28 HA LYS 4 HA LYS 4 19.527 9.962 11.896 29 HB2 LYS 4 HB2 LYS 4 21.942 9.655 12.092 30 HB3 LYS 4 HB1 LYS 4 22.009 8.995 10.459 31 HG2 LYS 4 HG2 LYS 4 22.676 11.330 10.401 32 HG3 LYS 4 HG1 LYS 4 21.125 11.166 9.590 33 HD2 LYS 4 HD2 LYS 4 19.955 11.946 11.588 34 HD3 LYS 4 HD1 LYS 4 21.475 12.012 12.482 35 HE2 LYS 4 HE2 LYS 4 22.324 13.714 10.909 36 HE3 LYS 4 HE1 LYS 4 20.806 13.645 10.014 37 HZ1 LYS 4 HZ1 LYS 4 21.073 14.394 12.875 38 HZ2 LYS 4 HZ2 LYS 4 19.632 14.374 11.976 39 HZ3 LYS 4 HZ3 LYS 4 20.858 15.486 11.596 40 H GLN 5 HN GLN 5 18.177 10.884 10.495 41 HA GLN 5 HA GLN 5 18.207 9.974 7.686 42 HB2 GLN 5 HB2 GLN 5 15.748 10.571 9.352 43 HB3 GLN 5 HB1 GLN 5 15.753 10.169 7.633 44 HG2 GLN 5 HG2 GLN 5 15.430 8.049 8.434 45 HG3 GLN 5 HG1 GLN 5 17.186 8.085 8.573 46 HE21 GLN 5 HE21 GLN 5 15.320 6.534 10.277 47 HE22 GLN 5 HE22 GLN 5 15.558 7.105 11.876 48 H LYS 6 HN LYS 6 17.712 11.547 6.134 49 HA LYS 6 HA LYS 6 18.542 14.181 6.712 50 HB2 LYS 6 HB2 LYS 6 17.048 13.008 4.362 51 HB3 LYS 6 HB1 LYS 6 17.599 14.683 4.417 52 HG2 LYS 6 HG2 LYS 6 19.925 13.849 4.844 53 HG3 LYS 6 HG1 LYS 6 19.332 12.204 4.608 54 HD2 LYS 6 HD2 LYS 6 19.020 14.397 2.541 55 HD3 LYS 6 HD1 LYS 6 20.360 13.250 2.547 56 HE2 LYS 6 HE2 LYS 6 18.727 11.378 2.442 57 HE3 LYS 6 HE1 LYS 6 17.415 12.552 2.352 58 HZ1 LYS 6 HZ1 LYS 6 19.649 12.701 0.443 59 HZ2 LYS 6 HZ2 LYS 6 18.048 13.241 0.267 60 HZ3 LYS 6 HZ3 LYS 6 18.402 11.580 0.189 61 H GLU 7 HN GLU 7 15.340 12.721 6.391 62 HA GLU 7 HA GLU 7 13.236 13.508 6.872 63 HB2 GLU 7 HB2 GLU 7 14.856 15.110 8.863 64 HB3 GLU 7 HB1 GLU 7 13.096 14.991 8.879 65 HG2 GLU 7 HG2 GLU 7 13.246 12.551 9.126 66 HG3 GLU 7 HG1 GLU 7 15.005 12.644 9.069 67 H ALA 8 HN ALA 8 14.387 14.694 4.643 68 HA ALA 8 HA ALA 8 14.332 17.519 4.645 69 HB1 ALA 8 HB1 ALA 8 14.210 15.372 2.581 70 HB2 ALA 8 HB2 ALA 8 15.345 16.713 2.744 71 HB3 ALA 8 HB3 ALA 8 13.728 17.000 2.101 72 H VAL 9 HN VAL 9 12.706 18.983 4.238 73 HA VAL 9 HA VAL 9 10.077 18.321 5.001 74 HB VAL 9 HB VAL 9 11.189 20.710 3.522 75 HG11 VAL 9 HG11 VAL 9 8.998 21.779 4.239 76 HG12 VAL 9 HG12 VAL 9 8.409 20.152 4.588 77 HG13 VAL 9 HG13 VAL 9 8.860 20.591 2.941 78 HG21 VAL 9 HG21 VAL 9 11.106 21.783 5.666 79 HG22 VAL 9 HG22 VAL 9 11.865 20.215 5.934 80 HG23 VAL 9 HG23 VAL 9 10.172 20.461 6.365 81 H ASN 10 HN ASN 10 11.500 18.894 1.791 82 HA ASN 10 HA ASN 10 9.081 17.671 0.600 83 HB2 ASN 10 HB2 ASN 10 10.986 19.689 -0.610 84 HB3 ASN 10 HB1 ASN 10 9.616 18.954 -1.442 85 HD21 ASN 10 HD21 ASN 10 10.262 21.848 -0.394 86 HD22 ASN 10 HD22 ASN 10 8.813 22.280 0.416 87 H ASP 11 HN ASP 11 9.351 15.834 -0.521 88 HA ASP 11 HA ASP 11 11.852 15.221 -1.842 89 HB2 ASP 11 HB2 ASP 11 12.251 13.126 -0.621 90 HB3 ASP 11 HB1 ASP 11 12.363 14.520 0.452 91 H LYS 12 HN LYS 12 11.702 12.853 -2.710 92 HA LYS 12 HA LYS 12 8.995 11.941 -3.233 93 HB2 LYS 12 HB2 LYS 12 9.150 12.123 -5.655 94 HB3 LYS 12 HB1 LYS 12 9.329 13.722 -4.931 95 HG2 LYS 12 HG2 LYS 12 11.792 13.518 -5.103 96 HG3 LYS 12 HG1 LYS 12 11.598 11.937 -5.863 97 HD2 LYS 12 HD2 LYS 12 10.362 12.953 -7.721 98 HD3 LYS 12 HD1 LYS 12 10.480 14.537 -6.953 99 HE2 LYS 12 HE2 LYS 12 12.212 14.319 -8.673 100 HE3 LYS 12 HE1 LYS 12 12.958 14.388 -7.077 101 HZ1 LYS 12 HZ1 LYS 12 13.508 12.185 -7.133 102 HZ2 LYS 12 HZ2 LYS 12 13.640 12.559 -8.785 103 HZ3 LYS 12 HZ3 LYS 12 12.255 11.771 -8.198 104 H GLY 13 HN GLY 13 8.993 9.901 -4.464 105 HA2 GLY 13 HA2 GLY 13 10.350 8.095 -5.448 106 HA3 GLY 13 HA1 GLY 13 11.547 8.462 -4.223 107 H LYS 14 HN LYS 14 11.408 7.634 -2.230 108 HA LYS 14 HA LYS 14 9.819 5.340 -1.852 109 HB2 LYS 14 HB2 LYS 14 11.262 7.112 0.137 110 HB3 LYS 14 HB1 LYS 14 10.552 5.546 0.528 111 HG2 LYS 14 HG2 LYS 14 12.639 5.965 -1.627 112 HG3 LYS 14 HG1 LYS 14 13.016 5.442 0.015 113 HD2 LYS 14 HD2 LYS 14 11.431 3.499 -0.334 114 HD3 LYS 14 HD1 LYS 14 11.323 3.976 -2.027 115 HE2 LYS 14 HE2 LYS 14 13.908 3.311 -0.594 116 HE3 LYS 14 HE1 LYS 14 13.033 2.205 -1.654 117 HZ1 LYS 14 HZ1 LYS 14 14.559 3.169 -3.064 118 HZ2 LYS 14 HZ2 LYS 14 14.444 4.700 -2.337 119 HZ3 LYS 14 HZ3 LYS 14 13.188 4.132 -3.330 120 H ALA 15 HN ALA 15 9.523 8.704 -0.836 121 HA ALA 15 HA ALA 15 7.263 8.475 0.787 122 HB1 ALA 15 HB1 ALA 15 8.591 10.614 -0.811 123 HB2 ALA 15 HB2 ALA 15 8.227 10.558 0.925 124 HB3 ALA 15 HB3 ALA 15 6.945 10.932 -0.231 125 H ALA 16 HN ALA 16 7.452 9.206 -2.668 126 HA ALA 16 HA ALA 16 4.690 9.362 -3.144 127 HB1 ALA 16 HB1 ALA 16 6.789 8.487 -5.134 128 HB2 ALA 16 HB2 ALA 16 6.473 10.172 -4.722 129 HB3 ALA 16 HB3 ALA 16 5.217 9.204 -5.491 130 H VAL 17 HN VAL 17 7.004 6.748 -3.575 131 HA VAL 17 HA VAL 17 5.297 4.766 -4.481 132 HB VAL 17 HB VAL 17 7.829 4.645 -2.861 133 HG11 VAL 17 HG11 VAL 17 6.124 2.485 -4.087 134 HG12 VAL 17 HG12 VAL 17 6.740 2.596 -2.438 135 HG13 VAL 17 HG13 VAL 17 7.847 2.260 -3.766 136 HG21 VAL 17 HG21 VAL 17 7.779 5.584 -5.249 137 HG22 VAL 17 HG22 VAL 17 7.351 3.955 -5.766 138 HG23 VAL 17 HG23 VAL 17 8.888 4.247 -4.952 139 H VAL 18 HN VAL 18 6.191 5.619 -1.204 140 HA VAL 18 HA VAL 18 4.769 3.493 0.073 141 HB VAL 18 HB VAL 18 5.658 6.213 1.064 142 HG11 VAL 18 HG11 VAL 18 3.777 5.662 2.408 143 HG12 VAL 18 HG12 VAL 18 5.174 5.125 3.342 144 HG13 VAL 18 HG13 VAL 18 4.207 3.954 2.448 145 HG21 VAL 18 HG21 VAL 18 6.647 3.477 1.901 146 HG22 VAL 18 HG22 VAL 18 7.454 5.033 2.085 147 HG23 VAL 18 HG23 VAL 18 7.323 4.290 0.493 148 H LYS 19 HN LYS 19 4.156 6.824 -0.658 149 HA LYS 19 HA LYS 19 1.618 7.101 0.359 150 HB2 LYS 19 HB2 LYS 19 3.199 8.464 -1.758 151 HB3 LYS 19 HB1 LYS 19 1.469 8.783 -1.712 152 HG2 LYS 19 HG2 LYS 19 3.132 10.275 -0.290 153 HG3 LYS 19 HG1 LYS 19 1.569 9.812 0.374 154 HD2 LYS 19 HD2 LYS 19 2.498 8.274 1.856 155 HD3 LYS 19 HD1 LYS 19 3.930 8.008 0.866 156 HE2 LYS 19 HE2 LYS 19 4.818 10.185 1.471 157 HE3 LYS 19 HE1 LYS 19 3.324 10.604 2.312 158 HZ1 LYS 19 HZ1 LYS 19 3.723 8.900 3.913 159 HZ2 LYS 19 HZ2 LYS 19 5.133 9.841 3.795 160 HZ3 LYS 19 HZ3 LYS 19 5.061 8.315 3.052 161 H VAL 20 HN VAL 20 2.566 5.758 -2.815 162 HA VAL 20 HA VAL 20 -0.176 5.567 -3.563 163 HB VAL 20 HB VAL 20 0.636 3.997 -5.373 164 HG11 VAL 20 HG11 VAL 20 0.079 6.396 -5.597 165 HG12 VAL 20 HG12 VAL 20 1.395 5.903 -6.675 166 HG13 VAL 20 HG13 VAL 20 1.758 6.803 -5.198 167 HG21 VAL 20 HG21 VAL 20 3.291 5.056 -4.378 168 HG22 VAL 20 HG22 VAL 20 3.045 4.134 -5.850 169 HG23 VAL 20 HG23 VAL 20 2.769 3.382 -4.282 170 H VAL 21 HN VAL 21 2.111 3.525 -1.946 171 HA VAL 21 HA VAL 21 0.671 1.106 -2.135 172 HB VAL 21 HB VAL 21 2.591 2.181 -0.055 173 HG11 VAL 21 HG11 VAL 21 1.788 0.540 1.282 174 HG12 VAL 21 HG12 VAL 21 2.663 -0.559 0.219 175 HG13 VAL 21 HG13 VAL 21 0.938 -0.267 -0.032 176 HG21 VAL 21 HG21 VAL 21 4.257 0.990 -1.222 177 HG22 VAL 21 HG22 VAL 21 3.263 1.635 -2.526 178 HG23 VAL 21 HG23 VAL 21 3.086 -0.043 -2.034 179 H GLU 22 HN GLU 22 0.731 3.644 0.450 180 HA GLU 22 HA GLU 22 -1.511 2.475 1.902 181 HB2 GLU 22 HB2 GLU 22 -0.360 5.305 1.836 182 HB3 GLU 22 HB1 GLU 22 -1.622 4.768 2.940 183 HG2 GLU 22 HG2 GLU 22 -0.094 3.067 3.861 184 HG3 GLU 22 HG1 GLU 22 1.170 3.615 2.752 185 H SER 23 HN SER 23 -1.075 4.877 -0.639 186 HA SER 23 HA SER 23 -3.414 6.168 -0.690 187 HB2 SER 23 HB2 SER 23 -1.802 6.658 -2.412 188 HB3 SER 23 HB1 SER 23 -2.032 5.070 -3.126 189 HG SER 23 HG SER 23 -3.479 7.336 -3.418 190 H GLN 24 HN GLN 24 -3.396 3.633 -3.345 191 HA GLN 24 HA GLN 24 -6.028 3.414 -3.225 192 HB2 GLN 24 HB2 GLN 24 -5.715 1.415 -4.561 193 HB3 GLN 24 HB1 GLN 24 -4.506 2.617 -5.015 194 HG2 GLN 24 HG2 GLN 24 -2.866 1.511 -3.494 195 HG3 GLN 24 HG1 GLN 24 -4.067 0.283 -3.118 196 HE21 GLN 24 HE21 GLN 24 -2.328 -1.224 -4.025 197 HE22 GLN 24 HE22 GLN 24 -2.287 -1.485 -5.726 198 H ALA 25 HN ALA 25 -3.689 1.710 -1.223 199 HA ALA 25 HA ALA 25 -5.372 -0.401 -0.520 200 HB1 ALA 25 HB1 ALA 25 -3.196 -0.670 -0.040 201 HB2 ALA 25 HB2 ALA 25 -3.878 -0.417 1.554 202 HB3 ALA 25 HB3 ALA 25 -3.020 0.887 0.743 203 H GLU 26 HN GLU 26 -4.909 2.692 1.292 204 HA GLU 26 HA GLU 26 -6.633 2.112 3.392 205 HB2 GLU 26 HB2 GLU 26 -5.632 4.184 3.648 206 HB3 GLU 26 HB1 GLU 26 -5.887 4.639 1.960 207 HG2 GLU 26 HG2 GLU 26 -8.272 4.964 2.338 208 HG3 GLU 26 HG1 GLU 26 -8.145 4.293 3.957 209 H LEU 27 HN LEU 27 -7.305 3.313 0.132 210 HA LEU 27 HA LEU 27 -10.092 3.420 0.615 211 HB2 LEU 27 HB2 LEU 27 -8.721 3.088 -1.994 212 HB3 LEU 27 HB1 LEU 27 -10.454 3.377 -1.689 213 HG LEU 27 HG LEU 27 -8.236 5.246 -0.759 214 HD11 LEU 27 HD11 LEU 27 -10.030 5.441 -3.199 215 HD12 LEU 27 HD12 LEU 27 -8.285 5.182 -3.215 216 HD13 LEU 27 HD13 LEU 27 -8.944 6.710 -2.631 217 HD21 LEU 27 HD21 LEU 27 -10.230 5.508 0.548 218 HD22 LEU 27 HD22 LEU 27 -11.248 5.413 -0.887 219 HD23 LEU 27 HD23 LEU 27 -10.228 6.825 -0.627 220 H TYR 28 HN TYR 28 -7.965 0.829 -0.221 221 HA TYR 28 HA TYR 28 -9.819 -0.735 -1.423 222 HB2 TYR 28 HB2 TYR 28 -7.772 -1.538 0.609 223 HB3 TYR 28 HB1 TYR 28 -8.821 -2.667 -0.198 224 HD1 TYR 28 HD1 TYR 28 -6.123 -3.255 -0.636 225 HD2 TYR 28 HD2 TYR 28 -8.499 -0.299 -2.657 226 HE1 TYR 28 HE1 TYR 28 -4.646 -3.390 -2.604 227 HE2 TYR 28 HE2 TYR 28 -7.013 -0.445 -4.616 228 HH TYR 28 HH TYR 28 -5.125 -1.311 -5.438 229 H SER 29 HN SER 29 -9.284 -0.357 1.947 230 HA SER 29 HA SER 29 -11.466 -1.798 2.917 231 HB2 SER 29 HB2 SER 29 -9.981 0.582 4.038 232 HB3 SER 29 HB1 SER 29 -11.239 -0.296 4.928 233 HG SER 29 HG SER 29 -10.005 -2.092 4.920 234 H LEU 30 HN LEU 30 -11.207 1.595 1.821 235 HA LEU 30 HA LEU 30 -13.820 2.315 2.639 236 HB2 LEU 30 HB2 LEU 30 -12.209 4.037 2.127 237 HB3 LEU 30 HB1 LEU 30 -12.079 3.454 0.470 238 HG LEU 30 HG LEU 30 -14.500 3.969 0.124 239 HD11 LEU 30 HD11 LEU 30 -15.373 3.707 2.341 240 HD12 LEU 30 HD12 LEU 30 -15.589 5.408 1.923 241 HD13 LEU 30 HD13 LEU 30 -14.269 4.922 2.989 242 HD21 LEU 30 HD21 LEU 30 -12.563 6.115 0.970 243 HD22 LEU 30 HD22 LEU 30 -14.225 6.574 0.596 244 HD23 LEU 30 HD23 LEU 30 -13.237 5.780 -0.625 245 H GLU 31 HN GLU 31 -12.538 1.310 -0.463 246 HA GLU 31 HA GLU 31 -15.130 0.886 -1.554 247 HB2 GLU 31 HB2 GLU 31 -13.690 0.075 -3.594 248 HB3 GLU 31 HB1 GLU 31 -13.843 1.786 -3.218 249 HG2 GLU 31 HG2 GLU 31 -11.704 1.928 -2.324 250 HG3 GLU 31 HG1 GLU 31 -11.562 0.196 -2.097 251 H LYS 32 HN LYS 32 -12.475 -1.272 -2.201 252 HA LYS 32 HA LYS 32 -13.252 -3.745 -2.452 253 HB2 LYS 32 HB2 LYS 32 -11.164 -3.028 -0.392 254 HB3 LYS 32 HB1 LYS 32 -11.312 -4.553 -1.194 255 HG2 LYS 32 HG2 LYS 32 -11.228 -2.274 -3.035 256 HG3 LYS 32 HG1 LYS 32 -9.782 -2.485 -2.106 257 HD2 LYS 32 HD2 LYS 32 -11.077 -4.778 -3.545 258 HD3 LYS 32 HD1 LYS 32 -9.859 -3.752 -4.306 259 HE2 LYS 32 HE2 LYS 32 -8.369 -4.238 -2.283 260 HE3 LYS 32 HE1 LYS 32 -9.541 -5.487 -1.847 261 HZ1 LYS 32 HZ1 LYS 32 -9.130 -6.661 -3.817 262 HZ2 LYS 32 HZ2 LYS 32 -7.592 -6.220 -3.244 263 HZ3 LYS 32 HZ3 LYS 32 -8.301 -5.365 -4.530 264 H ASN 33 HN ASN 33 -12.892 -2.496 0.840 265 HA ASN 33 HA ASN 33 -13.934 -2.945 2.813 266 HB2 ASN 33 HB2 ASN 33 -16.025 -3.765 0.861 267 HB3 ASN 33 HB1 ASN 33 -16.185 -4.385 2.504 268 HD21 ASN 33 HD21 ASN 33 -16.679 -1.614 0.504 269 HD22 ASN 33 HD22 ASN 33 -17.066 -0.513 1.763 270 H GLU 34 HN GLU 34 -11.889 -4.676 1.688 271 HA GLU 34 HA GLU 34 -11.754 -6.712 3.547 272 HB2 GLU 34 HB2 GLU 34 -13.744 -7.734 2.488 273 HB3 GLU 34 HB1 GLU 34 -12.910 -7.753 0.938 274 HG2 GLU 34 HG2 GLU 34 -11.189 -9.234 1.867 275 HG3 GLU 34 HG1 GLU 34 -11.975 -9.178 3.445 276 H ASP 35 HN ASP 35 -9.561 -6.400 3.517 277 HA ASP 35 HA ASP 35 -8.053 -7.714 1.543 278 HB2 ASP 35 HB2 ASP 35 -8.794 -5.483 0.420 279 HB3 ASP 35 HB1 ASP 35 -7.532 -4.774 1.420 280 H ALA 36 HN ALA 36 -7.501 -4.754 3.338 281 HA ALA 36 HA ALA 36 -5.489 -4.263 4.506 282 HB1 ALA 36 HB1 ALA 36 -6.877 -3.935 6.161 283 HB2 ALA 36 HB2 ALA 36 -6.157 -5.386 6.852 284 HB3 ALA 36 HB3 ALA 36 -7.678 -5.486 5.967 285 H SER 37 HN SER 37 -4.081 -5.412 3.201 286 HA SER 37 HA SER 37 -2.080 -6.490 4.605 287 HB2 SER 37 HB2 SER 37 -3.976 -8.633 3.794 288 HB3 SER 37 HB1 SER 37 -2.227 -8.890 3.707 289 HG SER 37 HG SER 37 -3.428 -9.366 5.779 290 H LEU 38 HN LEU 38 -1.150 -5.201 3.085 291 HA LEU 38 HA LEU 38 -1.298 -5.608 0.311 292 HB2 LEU 38 HB2 LEU 38 0.972 -4.461 0.258 293 HB3 LEU 38 HB1 LEU 38 -0.384 -3.555 0.935 294 HG LEU 38 HG LEU 38 0.337 -4.092 3.205 295 HD11 LEU 38 HD11 LEU 38 2.420 -5.770 1.782 296 HD12 LEU 38 HD12 LEU 38 1.314 -6.273 3.058 297 HD13 LEU 38 HD13 LEU 38 2.658 -5.199 3.433 298 HD21 LEU 38 HD21 LEU 38 2.441 -2.892 3.147 299 HD22 LEU 38 HD22 LEU 38 1.281 -2.201 2.026 300 HD23 LEU 38 HD23 LEU 38 2.571 -3.216 1.431 301 H ARG 39 HN ARG 39 -0.563 -7.930 2.184 302 HA ARG 39 HA ARG 39 1.867 -8.878 1.098 303 HB2 ARG 39 HB2 ARG 39 -0.222 -10.313 2.724 304 HB3 ARG 39 HB1 ARG 39 1.511 -10.668 2.637 305 HG2 ARG 39 HG2 ARG 39 1.842 -8.259 3.544 306 HG3 ARG 39 HG1 ARG 39 0.111 -8.320 3.987 307 HD2 ARG 39 HD2 ARG 39 2.221 -10.350 4.846 308 HD3 ARG 39 HD1 ARG 39 1.645 -9.017 5.843 309 HE ARG 39 HE ARG 39 -0.608 -10.439 5.009 310 HH11 ARG 39 HH11 ARG 39 2.274 -10.981 6.889 311 HH12 ARG 39 HH12 ARG 39 1.535 -12.168 7.907 312 HH21 ARG 39 HH21 ARG 39 -1.557 -11.993 6.352 313 HH22 ARG 39 HH22 ARG 39 -0.622 -12.740 7.607 314 H LYS 40 HN LYS 40 -1.448 -8.896 0.789 315 HA LYS 40 HA LYS 40 -1.693 -10.995 -1.187 316 HB2 LYS 40 HB2 LYS 40 -3.296 -9.568 0.742 317 HB3 LYS 40 HB1 LYS 40 -4.090 -10.041 -0.773 318 HG2 LYS 40 HG2 LYS 40 -4.223 -11.811 1.047 319 HG3 LYS 40 HG1 LYS 40 -3.517 -12.364 -0.471 320 HD2 LYS 40 HD2 LYS 40 -1.280 -12.183 0.395 321 HD3 LYS 40 HD1 LYS 40 -1.847 -11.330 1.833 322 HE2 LYS 40 HE2 LYS 40 -3.062 -13.334 2.573 323 HE3 LYS 40 HE1 LYS 40 -2.573 -14.187 1.108 324 HZ1 LYS 40 HZ1 LYS 40 -0.298 -14.049 1.760 325 HZ2 LYS 40 HZ2 LYS 40 -1.175 -14.681 3.070 326 HZ3 LYS 40 HZ3 LYS 40 -0.671 -13.059 3.086 327 H LEU 41 HN LEU 41 -2.417 -7.526 -0.790 328 HA LEU 41 HA LEU 41 -3.570 -7.319 -3.381 329 HB2 LEU 41 HB2 LEU 41 -4.028 -5.135 -2.849 330 HB3 LEU 41 HB1 LEU 41 -3.853 -5.789 -1.226 331 HG LEU 41 HG LEU 41 -1.294 -5.065 -1.620 332 HD11 LEU 41 HD11 LEU 41 -1.894 -4.319 -3.952 333 HD12 LEU 41 HD12 LEU 41 -1.132 -3.085 -2.964 334 HD13 LEU 41 HD13 LEU 41 -2.874 -3.054 -3.228 335 HD21 LEU 41 HD21 LEU 41 -1.815 -2.994 -0.450 336 HD22 LEU 41 HD22 LEU 41 -2.874 -4.266 0.157 337 HD23 LEU 41 HD23 LEU 41 -3.492 -3.075 -0.982 338 H GLN 42 HN GLN 42 -0.428 -6.728 -1.919 339 HA GLN 42 HA GLN 42 0.678 -6.005 -4.455 340 HB2 GLN 42 HB2 GLN 42 1.740 -4.982 -2.713 341 HB3 GLN 42 HB1 GLN 42 1.643 -6.351 -1.714 342 HG2 GLN 42 HG2 GLN 42 3.181 -6.654 -4.188 343 HG3 GLN 42 HG1 GLN 42 3.833 -5.676 -2.937 344 HE21 GLN 42 HE21 GLN 42 3.064 -6.893 -0.595 345 HE22 GLN 42 HE22 GLN 42 3.604 -8.504 -0.539 346 H ALA 43 HN ALA 43 0.163 -8.779 -2.356 347 HA ALA 43 HA ALA 43 1.870 -10.698 -2.829 348 HB1 ALA 43 HB1 ALA 43 -0.906 -11.016 -3.877 349 HB2 ALA 43 HB2 ALA 43 -0.383 -11.352 -2.243 350 HB3 ALA 43 HB3 ALA 43 0.203 -12.331 -3.554 351 H ASP 44 HN ASP 44 -0.502 -9.979 -5.341 352 HA ASP 44 HA ASP 44 0.917 -11.252 -7.451 353 HB2 ASP 44 HB2 ASP 44 -1.510 -10.706 -7.520 354 HB3 ASP 44 HB1 ASP 44 -1.101 -8.995 -7.625 355 H GLY 45 HN GLY 45 0.586 -7.831 -6.562 356 HA2 GLY 45 HA2 GLY 45 2.871 -6.744 -6.493 357 HA3 GLY 45 HA1 GLY 45 2.987 -7.295 -8.136 358 H ARG 46 HN ARG 46 0.026 -5.953 -6.728 359 HA ARG 46 HA ARG 46 -0.552 -4.070 -8.710 360 HB2 ARG 46 HB2 ARG 46 -1.031 -4.185 -5.749 361 HB3 ARG 46 HB1 ARG 46 -1.612 -2.858 -6.729 362 HG2 ARG 46 HG2 ARG 46 -3.006 -4.306 -8.020 363 HG3 ARG 46 HG1 ARG 46 -2.275 -5.743 -7.284 364 HD2 ARG 46 HD2 ARG 46 -3.414 -5.502 -5.337 365 HD3 ARG 46 HD1 ARG 46 -3.304 -3.732 -5.378 366 HE ARG 46 HE ARG 46 -5.506 -5.339 -6.268 367 HH11 ARG 46 HH11 ARG 46 -3.658 -2.502 -7.097 368 HH12 ARG 46 HH12 ARG 46 -4.971 -1.735 -7.918 369 HH21 ARG 46 HH21 ARG 46 -7.213 -4.315 -7.346 370 HH22 ARG 46 HH22 ARG 46 -6.975 -2.754 -8.059 371 H ILE 47 HN ILE 47 1.021 -3.931 -5.697 372 HA ILE 47 HA ILE 47 2.465 -1.457 -6.314 373 HB ILE 47 HB ILE 47 2.287 -0.806 -4.031 374 HG12 ILE 47 HG12 ILE 47 0.880 -3.384 -3.448 375 HG13 ILE 47 HG11 ILE 47 2.589 -3.221 -3.198 376 HG21 ILE 47 HG21 ILE 47 -0.313 -2.157 -4.740 377 HG22 ILE 47 HG22 ILE 47 0.243 -0.652 -5.493 378 HG23 ILE 47 HG23 ILE 47 -0.084 -0.707 -3.762 379 HD11 ILE 47 HD11 ILE 47 0.870 -1.079 -2.043 380 HD12 ILE 47 HD12 ILE 47 2.316 -1.843 -1.379 381 HD13 ILE 47 HD13 ILE 47 0.768 -2.673 -1.293 382 H THR 48 HN THR 48 3.298 -4.049 -7.051 383 HA THR 48 HA THR 48 4.942 -5.673 -6.699 384 HB THR 48 HB THR 48 6.382 -3.035 -6.751 385 HG1 THR 48 HG1 THR 48 5.732 -4.818 -8.843 386 HG21 THR 48 HG21 THR 48 7.321 -5.868 -6.958 387 HG22 THR 48 HG22 THR 48 8.156 -4.451 -6.337 388 HG23 THR 48 HG23 THR 48 8.023 -4.696 -8.071 389 H GLU 49 HN GLU 49 5.986 -6.847 -5.243 390 HA GLU 49 HA GLU 49 5.718 -6.417 -2.545 391 HB2 GLU 49 HB2 GLU 49 7.195 -8.303 -2.202 392 HB3 GLU 49 HB1 GLU 49 6.187 -8.618 -3.612 393 HG2 GLU 49 HG2 GLU 49 8.018 -7.815 -5.082 394 HG3 GLU 49 HG1 GLU 49 9.033 -7.581 -3.659 395 H GLU 50 HN GLU 50 8.148 -5.154 -4.592 396 HA GLU 50 HA GLU 50 10.150 -4.747 -2.654 397 HB2 GLU 50 HB2 GLU 50 9.407 -3.312 -5.200 398 HB3 GLU 50 HB1 GLU 50 10.845 -2.901 -4.256 399 HG2 GLU 50 HG2 GLU 50 10.218 -5.619 -5.456 400 HG3 GLU 50 HG1 GLU 50 11.404 -4.473 -6.075 401 H GLN 51 HN GLN 51 7.389 -2.943 -3.675 402 HA GLN 51 HA GLN 51 7.892 -0.676 -2.022 403 HB2 GLN 51 HB2 GLN 51 5.167 -1.120 -3.070 404 HB3 GLN 51 HB1 GLN 51 6.158 0.324 -3.089 405 HG2 GLN 51 HG2 GLN 51 7.560 -0.682 -4.883 406 HG3 GLN 51 HG1 GLN 51 6.473 -2.079 -4.905 407 HE21 GLN 51 HE21 GLN 51 4.032 -0.555 -4.465 408 HE22 GLN 51 HE22 GLN 51 3.717 0.303 -5.902 409 H ALA 52 HN ALA 52 5.281 -3.174 -2.056 410 HA ALA 52 HA ALA 52 4.126 -2.409 0.274 411 HB1 ALA 52 HB1 ALA 52 3.135 -3.776 -1.384 412 HB2 ALA 52 HB2 ALA 52 3.104 -4.613 0.162 413 HB3 ALA 52 HB3 ALA 52 4.282 -5.062 -1.065 414 H LYS 53 HN LYS 53 6.729 -4.700 -0.330 415 HA LYS 53 HA LYS 53 6.690 -5.532 2.331 416 HB2 LYS 53 HB2 LYS 53 7.802 -6.850 0.550 417 HB3 LYS 53 HB1 LYS 53 9.048 -5.594 0.470 418 HG2 LYS 53 HG2 LYS 53 9.617 -5.912 2.778 419 HG3 LYS 53 HG1 LYS 53 8.242 -6.998 2.989 420 HD2 LYS 53 HD2 LYS 53 9.260 -8.624 1.455 421 HD3 LYS 53 HD1 LYS 53 10.602 -7.520 1.151 422 HE2 LYS 53 HE2 LYS 53 11.264 -9.210 2.801 423 HE3 LYS 53 HE1 LYS 53 11.207 -7.617 3.555 424 HZ1 LYS 53 HZ1 LYS 53 9.009 -8.125 4.400 425 HZ2 LYS 53 HZ2 LYS 53 10.124 -9.294 4.922 426 HZ3 LYS 53 HZ3 LYS 53 9.045 -9.650 3.660 427 H ALA 54 HN ALA 54 8.261 -3.053 0.498 428 HA ALA 54 HA ALA 54 9.996 -2.073 2.484 429 HB1 ALA 54 HB1 ALA 54 8.806 -0.977 -0.030 430 HB2 ALA 54 HB2 ALA 54 10.494 -1.102 0.447 431 HB3 ALA 54 HB3 ALA 54 9.480 0.171 1.121 432 H TYR 55 HN TYR 55 6.573 -1.565 1.749 433 HA TYR 55 HA TYR 55 6.294 0.543 3.659 434 HB2 TYR 55 HB2 TYR 55 4.729 0.390 1.906 435 HB3 TYR 55 HB1 TYR 55 4.171 -1.197 2.470 436 HD1 TYR 55 HD1 TYR 55 4.569 2.371 3.437 437 HD2 TYR 55 HD2 TYR 55 2.600 -1.348 4.231 438 HE1 TYR 55 HE1 TYR 55 3.099 3.511 5.064 439 HE2 TYR 55 HE2 TYR 55 1.115 -0.210 5.869 440 HH TYR 55 HH TYR 55 0.407 2.666 6.012 441 H LYS 56 HN LYS 56 5.986 -2.889 3.774 442 HA LYS 56 HA LYS 56 4.787 -3.174 6.298 443 HB2 LYS 56 HB2 LYS 56 6.223 -4.802 4.366 444 HB3 LYS 56 HB1 LYS 56 6.704 -5.193 6.004 445 HG2 LYS 56 HG2 LYS 56 4.416 -5.623 6.653 446 HG3 LYS 56 HG1 LYS 56 3.825 -5.016 5.105 447 HD2 LYS 56 HD2 LYS 56 3.828 -7.442 5.011 448 HD3 LYS 56 HD1 LYS 56 5.115 -6.847 3.966 449 HE2 LYS 56 HE2 LYS 56 6.771 -7.259 5.722 450 HE3 LYS 56 HE1 LYS 56 5.498 -7.783 6.825 451 HZ1 LYS 56 HZ1 LYS 56 6.207 -9.773 5.985 452 HZ2 LYS 56 HZ2 LYS 56 6.585 -9.134 4.457 453 HZ3 LYS 56 HZ3 LYS 56 4.966 -9.415 4.886 454 H GLU 57 HN GLU 57 7.806 -2.304 5.102 455 HA GLU 57 HA GLU 57 9.155 -2.410 7.643 456 HB2 GLU 57 HB2 GLU 57 10.102 -1.580 4.930 457 HB3 GLU 57 HB1 GLU 57 11.043 -1.460 6.382 458 HG2 GLU 57 HG2 GLU 57 11.001 -3.821 6.742 459 HG3 GLU 57 HG1 GLU 57 9.802 -4.038 5.467 460 H TYR 58 HN TYR 58 7.695 -0.053 5.523 461 HA TYR 58 HA TYR 58 8.755 2.185 6.808 462 HB2 TYR 58 HB2 TYR 58 6.442 1.904 4.935 463 HB3 TYR 58 HB1 TYR 58 6.715 3.406 5.807 464 HD1 TYR 58 HD1 TYR 58 7.794 1.424 2.987 465 HD2 TYR 58 HD2 TYR 58 9.042 4.449 5.765 466 HE1 TYR 58 HE1 TYR 58 9.644 2.061 1.467 467 HE2 TYR 58 HE2 TYR 58 10.888 5.085 4.243 468 HH TYR 58 HH TYR 58 12.234 3.941 2.422 469 H HIS 59 HN HIS 59 5.670 0.457 7.221 470 HA HIS 59 HA HIS 59 4.857 2.273 9.322 471 HB2 HIS 59 HB2 HIS 59 3.273 1.189 7.753 472 HB3 HIS 59 HB1 HIS 59 3.632 -0.359 8.508 473 HD1 HIS 59 HD1 HIS 59 2.958 -0.614 11.062 474 HD2 HIS 59 HD2 HIS 59 1.532 2.840 9.214 475 HE1 HIS 59 HE1 HIS 59 1.167 0.327 12.587 476 HE2 HIS 59 HE2 HIS 59 0.288 2.434 11.472 477 H ASP 60 HN ASP 60 5.281 -1.243 9.295 478 HA ASP 60 HA ASP 60 5.389 -1.404 12.165 479 HB2 ASP 60 HB2 ASP 60 5.916 -3.442 10.011 480 HB3 ASP 60 HB1 ASP 60 5.780 -3.798 11.733 481 H LYS 61 HN LYS 61 7.655 -0.735 9.745 482 HA LYS 61 HA LYS 61 9.880 -0.147 10.008 483 HB2 LYS 61 HB2 LYS 61 10.955 -0.214 11.903 484 HB3 LYS 61 HB1 LYS 61 9.409 -0.613 12.636 485 HG2 LYS 61 HG2 LYS 61 9.981 -3.065 12.150 486 HG3 LYS 61 HG1 LYS 61 11.615 -2.508 11.794 487 HD2 LYS 61 HD2 LYS 61 11.791 -1.514 14.037 488 HD3 LYS 61 HD1 LYS 61 10.159 -2.068 14.415 489 HE2 LYS 61 HE2 LYS 61 10.875 -4.408 14.054 490 HE3 LYS 61 HE1 LYS 61 12.512 -3.848 13.709 491 HZ1 LYS 61 HZ1 LYS 61 12.628 -2.905 15.923 492 HZ2 LYS 61 HZ2 LYS 61 12.271 -4.563 16.010 493 HZ3 LYS 61 HZ3 LYS 61 11.045 -3.412 16.256 494 H ASN 62 HN ASN 62 8.454 -3.284 10.290 495 HA ASN 62 HA ASN 62 9.559 -4.380 8.078 496 HB2 ASN 62 HB2 ASN 62 11.775 -4.376 8.876 497 HB3 ASN 62 HB1 ASN 62 11.286 -4.844 10.504 498 HD21 ASN 62 HD21 ASN 62 11.499 -6.076 7.145 499 HD22 ASN 62 HD22 ASN 62 11.601 -7.724 7.601 500 H GLY 63 HN GLY 63 8.172 -4.773 11.217 501 HA2 GLY 63 HA2 GLY 63 7.371 -7.552 10.682 502 HA3 GLY 63 HA1 GLY 63 7.173 -6.688 12.210 503 H GLY 64 HN GLY 64 4.982 -7.158 12.423 504 HA2 GLY 64 HA2 GLY 64 2.878 -5.914 12.232 505 HA3 GLY 64 HA1 GLY 64 3.202 -5.767 10.511 506 H ALA 65 HN ALA 65 1.465 -7.444 12.786 507 HA ALA 65 HA ALA 65 1.464 -10.080 11.753 508 HB1 ALA 65 HB1 ALA 65 -0.408 -8.488 13.469 509 HB2 ALA 65 HB2 ALA 65 0.548 -9.910 13.884 510 HB3 ALA 65 HB3 ALA 65 -0.890 -10.077 12.877 511 H ASN 66 HN ASN 66 -0.598 -7.253 11.049 512 HA ASN 66 HA ASN 66 -1.180 -8.201 8.393 513 HB2 ASN 66 HB2 ASN 66 -3.637 -8.410 8.728 514 HB3 ASN 66 HB1 ASN 66 -2.711 -9.665 9.559 515 HD21 ASN 66 HD21 ASN 66 -5.227 -7.522 10.016 516 HD22 ASN 66 HD22 ASN 66 -5.143 -7.373 11.710 517 H ARG 67 HN ARG 67 -3.248 -6.897 7.611 518 HA ARG 67 HA ARG 67 -4.236 -4.924 7.075 519 HB2 ARG 67 HB2 ARG 67 -4.882 -4.123 9.105 520 HB3 ARG 67 HB1 ARG 67 -3.260 -4.179 9.761 521 HG2 ARG 67 HG2 ARG 67 -2.698 -2.096 9.009 522 HG3 ARG 67 HG1 ARG 67 -3.600 -2.285 7.526 523 HD2 ARG 67 HD2 ARG 67 -4.428 -0.591 9.278 524 HD3 ARG 67 HD1 ARG 67 -5.585 -1.636 8.439 525 HE ARG 67 HE ARG 67 -4.583 -2.837 10.866 526 HH11 ARG 67 HH11 ARG 67 -6.817 -0.454 9.635 527 HH12 ARG 67 HH12 ARG 67 -7.899 -0.592 10.976 528 HH21 ARG 67 HH21 ARG 67 -6.027 -3.008 12.604 529 HH22 ARG 67 HH22 ARG 67 -7.456 -2.028 12.651 530 H LYS 68 HN LYS 68 -1.137 -4.049 8.574 531 HA LYS 68 HA LYS 68 0.536 -2.671 7.821 532 HB2 LYS 68 HB2 LYS 68 0.654 -3.165 5.055 533 HB3 LYS 68 HB1 LYS 68 1.641 -3.899 6.304 534 HG2 LYS 68 HG2 LYS 68 -1.061 -4.984 5.546 535 HG3 LYS 68 HG1 LYS 68 0.383 -5.470 4.763 536 HD2 LYS 68 HD2 LYS 68 0.023 -5.655 7.759 537 HD3 LYS 68 HD1 LYS 68 -0.344 -6.984 6.654 538 HE2 LYS 68 HE2 LYS 68 2.002 -6.861 5.794 539 HE3 LYS 68 HE1 LYS 68 2.352 -5.658 7.034 540 HZ1 LYS 68 HZ1 LYS 68 1.133 -8.213 7.802 541 HZ2 LYS 68 HZ2 LYS 68 2.126 -7.175 8.710 542 HZ3 LYS 68 HZ3 LYS 68 2.799 -8.149 7.492 543 H VAL 69 HN VAL 69 -1.426 -2.819 4.881 544 HA VAL 69 HA VAL 69 -1.801 0.048 5.167 545 HB VAL 69 HB VAL 69 -2.182 0.095 2.719 546 HG11 VAL 69 HG11 VAL 69 0.386 -1.126 3.689 547 HG12 VAL 69 HG12 VAL 69 0.027 0.592 3.504 548 HG13 VAL 69 HG13 VAL 69 0.159 -0.442 2.086 549 HG21 VAL 69 HG21 VAL 69 -1.169 -2.748 2.711 550 HG22 VAL 69 HG22 VAL 69 -1.928 -1.855 1.395 551 HG23 VAL 69 HG23 VAL 69 -2.888 -2.392 2.766 552 H ASN 70 HN ASN 70 -3.889 0.335 3.307 553 HA ASN 70 HA ASN 70 -6.173 0.192 3.209 554 HB2 ASN 70 HB2 ASN 70 -5.946 -2.425 4.559 555 HB3 ASN 70 HB1 ASN 70 -7.217 -1.924 3.481 556 HD21 ASN 70 HD21 ASN 70 -6.140 -1.333 1.129 557 HD22 ASN 70 HD22 ASN 70 -5.035 -2.505 0.568 558 H ASP 71 HN ASP 71 -7.890 -1.201 5.127 559 HA ASP 71 HA ASP 71 -7.296 -0.467 7.781 560 HB2 ASP 71 HB2 ASP 71 -7.364 1.837 6.915 561 HB3 ASP 71 HB1 ASP 71 -8.982 1.552 6.280 Start of MODEL 4 1 H1 ASN 1 HT1 ASN 1 14.879 13.124 -11.828 2 H2 ASN 1 HT2 ASN 1 16.149 12.938 -10.716 3 H3 ASN 1 HT3 ASN 1 16.082 14.312 -11.713 4 HA ASN 1 HA ASN 1 13.664 14.234 -10.373 5 HB2 ASN 1 HB2 ASN 1 15.081 12.645 -8.872 6 HB3 ASN 1 HB1 ASN 1 15.921 14.115 -8.382 7 HD21 ASN 1 HD21 ASN 1 15.050 14.212 -6.228 8 HD22 ASN 1 HD22 ASN 1 13.401 14.477 -5.926 9 H LEU 2 HN LEU 2 13.203 16.324 -10.553 10 HA LEU 2 HA LEU 2 15.364 18.289 -10.689 11 HB2 LEU 2 HB2 LEU 2 12.387 18.575 -11.168 12 HB3 LEU 2 HB1 LEU 2 13.590 19.836 -11.436 13 HG LEU 2 HG LEU 2 13.592 17.131 -12.818 14 HD11 LEU 2 HD11 LEU 2 11.735 18.355 -13.688 15 HD12 LEU 2 HD12 LEU 2 13.044 18.609 -14.843 16 HD13 LEU 2 HD13 LEU 2 12.636 19.869 -13.677 17 HD21 LEU 2 HD21 LEU 2 15.835 17.967 -12.715 18 HD22 LEU 2 HD22 LEU 2 15.309 19.618 -13.048 19 HD23 LEU 2 HD23 LEU 2 15.247 18.399 -14.324 20 H THR 3 HN THR 3 13.645 16.933 -8.241 21 HA THR 3 HA THR 3 13.421 17.455 -6.023 22 HB THR 3 HB THR 3 14.612 19.175 -5.037 23 HG1 THR 3 HG1 THR 3 14.824 20.778 -7.304 24 HG21 THR 3 HG21 THR 3 16.742 19.085 -5.971 25 HG22 THR 3 HG22 THR 3 16.141 19.221 -7.621 26 HG23 THR 3 HG23 THR 3 15.976 17.699 -6.744 27 H LYS 4 HN LYS 4 12.531 20.189 -8.146 28 HA LYS 4 HA LYS 4 10.642 21.484 -8.219 29 HB2 LYS 4 HB2 LYS 4 9.443 19.011 -6.953 30 HB3 LYS 4 HB1 LYS 4 8.522 20.339 -7.658 31 HG2 LYS 4 HG2 LYS 4 9.615 19.945 -9.836 32 HG3 LYS 4 HG1 LYS 4 10.528 18.611 -9.133 33 HD2 LYS 4 HD2 LYS 4 8.397 17.463 -8.585 34 HD3 LYS 4 HD1 LYS 4 7.509 18.778 -9.354 35 HE2 LYS 4 HE2 LYS 4 9.562 17.026 -10.738 36 HE3 LYS 4 HE1 LYS 4 7.813 16.849 -10.888 37 HZ1 LYS 4 HZ1 LYS 4 9.545 19.025 -11.859 38 HZ2 LYS 4 HZ2 LYS 4 7.900 19.319 -11.550 39 HZ3 LYS 4 HZ3 LYS 4 8.357 18.150 -12.695 40 H GLN 5 HN GLN 5 12.310 22.067 -6.067 41 HA GLN 5 HA GLN 5 12.339 23.150 -4.035 42 HB2 GLN 5 HB2 GLN 5 9.428 23.624 -4.719 43 HB3 GLN 5 HB1 GLN 5 10.363 24.514 -3.517 44 HG2 GLN 5 HG2 GLN 5 10.962 24.383 -6.486 45 HG3 GLN 5 HG1 GLN 5 10.275 25.761 -5.632 46 HE21 GLN 5 HE21 GLN 5 13.150 24.679 -6.863 47 HE22 GLN 5 HE22 GLN 5 14.230 25.473 -5.793 48 H LYS 6 HN LYS 6 12.245 20.506 -3.655 49 HA LYS 6 HA LYS 6 10.012 19.735 -1.985 50 HB2 LYS 6 HB2 LYS 6 11.229 17.622 -1.716 51 HB3 LYS 6 HB1 LYS 6 11.124 18.081 -3.415 52 HG2 LYS 6 HG2 LYS 6 13.410 19.020 -3.301 53 HG3 LYS 6 HG1 LYS 6 13.520 18.544 -1.608 54 HD2 LYS 6 HD2 LYS 6 13.203 16.182 -2.246 55 HD3 LYS 6 HD1 LYS 6 13.099 16.657 -3.941 56 HE2 LYS 6 HE2 LYS 6 15.384 17.575 -3.832 57 HE3 LYS 6 HE1 LYS 6 15.490 17.111 -2.134 58 HZ1 LYS 6 HZ1 LYS 6 14.822 14.793 -3.114 59 HZ2 LYS 6 HZ2 LYS 6 16.440 15.306 -3.111 60 HZ3 LYS 6 HZ3 LYS 6 15.510 15.425 -4.528 61 H GLU 7 HN GLU 7 11.205 22.032 -0.902 62 HA GLU 7 HA GLU 7 13.150 21.541 1.079 63 HB2 GLU 7 HB2 GLU 7 12.491 23.819 0.372 64 HB3 GLU 7 HB1 GLU 7 10.906 23.583 1.111 65 HG2 GLU 7 HG2 GLU 7 11.967 23.270 3.314 66 HG3 GLU 7 HG1 GLU 7 13.557 23.472 2.586 67 H ALA 8 HN ALA 8 9.608 21.384 1.154 68 HA ALA 8 HA ALA 8 9.616 19.386 3.195 69 HB1 ALA 8 HB1 ALA 8 10.078 21.640 4.405 70 HB2 ALA 8 HB2 ALA 8 8.842 20.565 5.057 71 HB3 ALA 8 HB3 ALA 8 8.373 21.968 4.097 72 H VAL 9 HN VAL 9 7.892 21.781 1.297 73 HA VAL 9 HA VAL 9 5.257 20.924 1.773 74 HB VAL 9 HB VAL 9 6.529 22.255 -0.620 75 HG11 VAL 9 HG11 VAL 9 3.634 21.606 -0.017 76 HG12 VAL 9 HG12 VAL 9 4.562 21.154 -1.449 77 HG13 VAL 9 HG13 VAL 9 4.121 22.840 -1.179 78 HG21 VAL 9 HG21 VAL 9 4.649 23.372 1.475 79 HG22 VAL 9 HG22 VAL 9 5.622 24.268 0.307 80 HG23 VAL 9 HG23 VAL 9 6.403 23.428 1.647 81 H ASN 10 HN ASN 10 7.576 19.948 -0.761 82 HA ASN 10 HA ASN 10 5.764 17.703 -1.417 83 HB2 ASN 10 HB2 ASN 10 7.842 19.130 -3.079 84 HB3 ASN 10 HB1 ASN 10 7.074 17.623 -3.573 85 HD21 ASN 10 HD21 ASN 10 6.753 20.111 -5.028 86 HD22 ASN 10 HD22 ASN 10 5.102 20.560 -4.910 87 H ASP 11 HN ASP 11 6.382 15.753 -0.777 88 HA ASP 11 HA ASP 11 9.269 15.253 -0.375 89 HB2 ASP 11 HB2 ASP 11 6.895 14.290 1.220 90 HB3 ASP 11 HB1 ASP 11 8.499 13.571 1.356 91 H LYS 12 HN LYS 12 10.125 13.434 -1.256 92 HA LYS 12 HA LYS 12 8.301 11.461 -2.455 93 HB2 LYS 12 HB2 LYS 12 8.936 12.973 -4.259 94 HB3 LYS 12 HB1 LYS 12 10.646 12.729 -3.886 95 HG2 LYS 12 HG2 LYS 12 10.409 10.323 -4.379 96 HG3 LYS 12 HG1 LYS 12 8.699 10.565 -4.739 97 HD2 LYS 12 HD2 LYS 12 9.293 12.104 -6.569 98 HD3 LYS 12 HD1 LYS 12 11.005 11.871 -6.212 99 HE2 LYS 12 HE2 LYS 12 10.787 9.465 -6.696 100 HE3 LYS 12 HE1 LYS 12 9.073 9.688 -7.047 101 HZ1 LYS 12 HZ1 LYS 12 9.571 11.020 -8.903 102 HZ2 LYS 12 HZ2 LYS 12 10.605 9.677 -9.018 103 HZ3 LYS 12 HZ3 LYS 12 11.204 11.172 -8.471 104 H GLY 13 HN GLY 13 8.917 9.412 -2.178 105 HA2 GLY 13 HA2 GLY 13 10.810 7.783 -2.101 106 HA3 GLY 13 HA1 GLY 13 11.571 8.915 -0.985 107 H LYS 14 HN LYS 14 10.992 8.933 1.147 108 HA LYS 14 HA LYS 14 9.565 6.707 2.178 109 HB2 LYS 14 HB2 LYS 14 10.236 9.362 3.489 110 HB3 LYS 14 HB1 LYS 14 9.659 7.931 4.342 111 HG2 LYS 14 HG2 LYS 14 12.197 8.025 2.686 112 HG3 LYS 14 HG1 LYS 14 12.150 8.198 4.441 113 HD2 LYS 14 HD2 LYS 14 11.075 5.956 4.604 114 HD3 LYS 14 HD1 LYS 14 11.228 5.779 2.858 115 HE2 LYS 14 HE2 LYS 14 13.675 6.012 3.039 116 HE3 LYS 14 HE1 LYS 14 13.528 6.177 4.790 117 HZ1 LYS 14 HZ1 LYS 14 12.516 3.978 4.866 118 HZ2 LYS 14 HZ2 LYS 14 14.069 3.913 4.180 119 HZ3 LYS 14 HZ3 LYS 14 12.693 3.820 3.188 120 H ALA 15 HN ALA 15 8.828 9.870 1.166 121 HA ALA 15 HA ALA 15 6.068 9.862 2.066 122 HB1 ALA 15 HB1 ALA 15 7.691 11.641 0.220 123 HB2 ALA 15 HB2 ALA 15 7.207 11.999 1.881 124 HB3 ALA 15 HB3 ALA 15 5.990 11.935 0.608 125 H ALA 16 HN ALA 16 5.693 10.983 -0.935 126 HA ALA 16 HA ALA 16 4.228 9.905 -2.479 127 HB1 ALA 16 HB1 ALA 16 7.136 9.747 -3.170 128 HB2 ALA 16 HB2 ALA 16 5.958 10.974 -3.635 129 HB3 ALA 16 HB3 ALA 16 5.870 9.357 -4.334 130 H VAL 17 HN VAL 17 7.039 7.657 -2.231 131 HA VAL 17 HA VAL 17 5.611 5.532 -3.381 132 HB VAL 17 HB VAL 17 7.899 5.431 -1.430 133 HG11 VAL 17 HG11 VAL 17 8.092 3.073 -2.440 134 HG12 VAL 17 HG12 VAL 17 6.417 3.293 -2.963 135 HG13 VAL 17 HG13 VAL 17 6.822 3.333 -1.246 136 HG21 VAL 17 HG21 VAL 17 9.108 4.816 -3.567 137 HG22 VAL 17 HG22 VAL 17 8.502 6.472 -3.523 138 HG23 VAL 17 HG23 VAL 17 7.638 5.240 -4.441 139 H VAL 18 HN VAL 18 6.177 6.097 0.141 140 HA VAL 18 HA VAL 18 4.578 3.967 1.020 141 HB VAL 18 HB VAL 18 5.203 6.641 2.275 142 HG11 VAL 18 HG11 VAL 18 3.757 4.219 3.317 143 HG12 VAL 18 HG12 VAL 18 3.217 5.892 3.322 144 HG13 VAL 18 HG13 VAL 18 4.522 5.385 4.394 145 HG21 VAL 18 HG21 VAL 18 7.070 4.977 1.810 146 HG22 VAL 18 HG22 VAL 18 6.251 3.889 2.931 147 HG23 VAL 18 HG23 VAL 18 6.873 5.436 3.502 148 H LYS 19 HN LYS 19 3.970 7.260 0.280 149 HA LYS 19 HA LYS 19 1.331 7.488 1.112 150 HB2 LYS 19 HB2 LYS 19 2.496 9.467 0.591 151 HB3 LYS 19 HB1 LYS 19 2.929 8.891 -1.017 152 HG2 LYS 19 HG2 LYS 19 0.028 9.023 -0.407 153 HG3 LYS 19 HG1 LYS 19 0.872 10.569 -0.592 154 HD2 LYS 19 HD2 LYS 19 1.323 10.218 -2.796 155 HD3 LYS 19 HD1 LYS 19 1.581 8.482 -2.547 156 HE2 LYS 19 HE2 LYS 19 -0.432 8.824 -3.906 157 HE3 LYS 19 HE1 LYS 19 -0.888 8.190 -2.325 158 HZ1 LYS 19 HZ1 LYS 19 -2.218 10.134 -3.169 159 HZ2 LYS 19 HZ2 LYS 19 -0.835 11.089 -2.920 160 HZ3 LYS 19 HZ3 LYS 19 -1.575 10.300 -1.610 161 H VAL 20 HN VAL 20 2.600 6.334 -2.068 162 HA VAL 20 HA VAL 20 -0.058 6.021 -3.099 163 HB VAL 20 HB VAL 20 1.004 4.813 -4.987 164 HG11 VAL 20 HG11 VAL 20 2.274 7.455 -4.243 165 HG12 VAL 20 HG12 VAL 20 0.676 7.258 -4.968 166 HG13 VAL 20 HG13 VAL 20 2.120 6.794 -5.871 167 HG21 VAL 20 HG21 VAL 20 3.437 4.733 -5.113 168 HG22 VAL 20 HG22 VAL 20 2.905 3.876 -3.668 169 HG23 VAL 20 HG23 VAL 20 3.566 5.500 -3.537 170 H VAL 21 HN VAL 21 2.283 3.898 -1.586 171 HA VAL 21 HA VAL 21 0.935 1.492 -2.169 172 HB VAL 21 HB VAL 21 2.743 2.268 0.128 173 HG11 VAL 21 HG11 VAL 21 1.470 -0.373 -0.618 174 HG12 VAL 21 HG12 VAL 21 1.481 0.430 0.952 175 HG13 VAL 21 HG13 VAL 21 2.961 -0.288 0.321 176 HG21 VAL 21 HG21 VAL 21 4.395 0.953 -1.145 177 HG22 VAL 21 HG22 VAL 21 3.749 2.259 -2.139 178 HG23 VAL 21 HG23 VAL 21 3.180 0.607 -2.375 179 H GLU 22 HN GLU 22 0.778 3.735 0.558 180 HA GLU 22 HA GLU 22 -1.322 2.323 1.950 181 HB2 GLU 22 HB2 GLU 22 -0.334 5.183 2.160 182 HB3 GLU 22 HB1 GLU 22 -1.555 4.475 3.215 183 HG2 GLU 22 HG2 GLU 22 0.115 2.661 3.762 184 HG3 GLU 22 HG1 GLU 22 1.319 3.621 2.894 185 H SER 23 HN SER 23 -1.222 5.040 -0.334 186 HA SER 23 HA SER 23 -3.959 5.583 -0.016 187 HB2 SER 23 HB2 SER 23 -1.998 6.415 -2.133 188 HB3 SER 23 HB1 SER 23 -3.663 6.986 -2.077 189 HG SER 23 HG SER 23 -2.505 8.448 -0.925 190 H GLN 24 HN GLN 24 -2.310 3.194 -1.968 191 HA GLN 24 HA GLN 24 -4.480 2.940 -3.876 192 HB2 GLN 24 HB2 GLN 24 -2.301 2.417 -4.731 193 HB3 GLN 24 HB1 GLN 24 -1.959 1.352 -3.365 194 HG2 GLN 24 HG2 GLN 24 -3.609 -0.234 -4.080 195 HG3 GLN 24 HG1 GLN 24 -4.233 0.867 -5.286 196 HE21 GLN 24 HE21 GLN 24 -3.768 -1.050 -6.776 197 HE22 GLN 24 HE22 GLN 24 -2.170 -1.231 -7.387 198 H ALA 25 HN ALA 25 -3.099 1.443 -1.174 199 HA ALA 25 HA ALA 25 -4.895 -0.790 -0.959 200 HB1 ALA 25 HB1 ALA 25 -2.787 -1.070 -0.047 201 HB2 ALA 25 HB2 ALA 25 -3.879 -0.996 1.328 202 HB3 ALA 25 HB3 ALA 25 -2.889 0.402 0.900 203 H GLU 26 HN GLU 26 -4.605 2.346 0.430 204 HA GLU 26 HA GLU 26 -6.551 2.275 2.440 205 HB2 GLU 26 HB2 GLU 26 -5.577 4.367 2.385 206 HB3 GLU 26 HB1 GLU 26 -5.523 4.423 0.624 207 HG2 GLU 26 HG2 GLU 26 -7.890 4.881 0.481 208 HG3 GLU 26 HG1 GLU 26 -8.106 4.556 2.198 209 H LEU 27 HN LEU 27 -6.912 2.938 -1.086 210 HA LEU 27 HA LEU 27 -9.746 2.969 -0.896 211 HB2 LEU 27 HB2 LEU 27 -7.995 2.426 -3.221 212 HB3 LEU 27 HB1 LEU 27 -9.754 2.143 -3.198 213 HG LEU 27 HG LEU 27 -10.253 4.408 -3.133 214 HD11 LEU 27 HD11 LEU 27 -7.565 4.783 -1.800 215 HD12 LEU 27 HD12 LEU 27 -9.166 5.043 -1.107 216 HD13 LEU 27 HD13 LEU 27 -8.553 6.138 -2.346 217 HD21 LEU 27 HD21 LEU 27 -8.740 5.616 -4.661 218 HD22 LEU 27 HD22 LEU 27 -8.992 3.958 -5.207 219 HD23 LEU 27 HD23 LEU 27 -7.492 4.399 -4.388 220 H TYR 28 HN TYR 28 -7.377 0.465 -1.312 221 HA TYR 28 HA TYR 28 -9.118 -1.456 -2.116 222 HB2 TYR 28 HB2 TYR 28 -6.648 -1.524 -0.565 223 HB3 TYR 28 HB1 TYR 28 -7.705 -2.900 -0.445 224 HD1 TYR 28 HD1 TYR 28 -6.950 -0.580 -3.266 225 HD2 TYR 28 HD2 TYR 28 -6.924 -4.608 -1.828 226 HE1 TYR 28 HE1 TYR 28 -6.206 -1.355 -5.493 227 HE2 TYR 28 HE2 TYR 28 -6.179 -5.393 -4.053 228 HH TYR 28 HH TYR 28 -6.513 -4.041 -6.688 229 H SER 29 HN SER 29 -8.583 -0.219 1.065 230 HA SER 29 HA SER 29 -10.490 -1.729 2.508 231 HB2 SER 29 HB2 SER 29 -9.430 1.052 3.047 232 HB3 SER 29 HB1 SER 29 -10.386 0.092 4.168 233 HG SER 29 HG SER 29 -7.800 -0.374 3.165 234 H LEU 30 HN LEU 30 -10.552 1.322 0.719 235 HA LEU 30 HA LEU 30 -13.185 2.078 1.337 236 HB2 LEU 30 HB2 LEU 30 -11.701 3.633 0.221 237 HB3 LEU 30 HB1 LEU 30 -11.611 2.566 -1.170 238 HG LEU 30 HG LEU 30 -14.043 2.834 -1.531 239 HD11 LEU 30 HD11 LEU 30 -14.841 3.259 0.686 240 HD12 LEU 30 HD12 LEU 30 -15.130 4.738 -0.227 241 HD13 LEU 30 HD13 LEU 30 -13.764 4.641 0.881 242 HD21 LEU 30 HD21 LEU 30 -13.940 5.329 -2.089 243 HD22 LEU 30 HD22 LEU 30 -12.657 4.336 -2.777 244 HD23 LEU 30 HD23 LEU 30 -12.337 5.330 -1.355 245 H GLU 31 HN GLU 31 -12.091 0.693 -1.694 246 HA GLU 31 HA GLU 31 -14.566 -0.301 -2.457 247 HB2 GLU 31 HB2 GLU 31 -13.098 -1.818 -3.993 248 HB3 GLU 31 HB1 GLU 31 -13.091 -0.071 -4.227 249 HG2 GLU 31 HG2 GLU 31 -10.982 0.197 -3.417 250 HG3 GLU 31 HG1 GLU 31 -11.107 -1.184 -2.337 251 H LYS 32 HN LYS 32 -12.023 -2.730 -2.194 252 HA LYS 32 HA LYS 32 -12.935 -5.042 -1.426 253 HB2 LYS 32 HB2 LYS 32 -10.956 -3.814 0.500 254 HB3 LYS 32 HB1 LYS 32 -11.126 -5.493 0.080 255 HG2 LYS 32 HG2 LYS 32 -10.745 -4.130 -2.358 256 HG3 LYS 32 HG1 LYS 32 -9.557 -3.497 -1.238 257 HD2 LYS 32 HD2 LYS 32 -10.045 -6.449 -1.693 258 HD3 LYS 32 HD1 LYS 32 -8.754 -5.534 -2.462 259 HE2 LYS 32 HE2 LYS 32 -7.887 -4.925 -0.182 260 HE3 LYS 32 HE1 LYS 32 -9.133 -5.959 0.519 261 HZ1 LYS 32 HZ1 LYS 32 -8.163 -7.856 -0.328 262 HZ2 LYS 32 HZ2 LYS 32 -6.807 -6.927 0.103 263 HZ3 LYS 32 HZ3 LYS 32 -7.297 -7.022 -1.523 264 H ASN 33 HN ASN 33 -12.821 -2.444 0.939 265 HA ASN 33 HA ASN 33 -14.235 -1.886 2.664 266 HB2 ASN 33 HB2 ASN 33 -15.863 -3.653 1.274 267 HB3 ASN 33 HB1 ASN 33 -15.797 -4.309 2.915 268 HD21 ASN 33 HD21 ASN 33 -15.869 -0.995 1.480 269 HD22 ASN 33 HD22 ASN 33 -17.114 -0.425 2.519 270 H GLU 34 HN GLU 34 -11.767 -3.549 2.637 271 HA GLU 34 HA GLU 34 -11.932 -4.408 5.439 272 HB2 GLU 34 HB2 GLU 34 -12.162 -6.415 3.917 273 HB3 GLU 34 HB1 GLU 34 -10.554 -6.044 3.296 274 HG2 GLU 34 HG2 GLU 34 -10.356 -7.706 5.067 275 HG3 GLU 34 HG1 GLU 34 -9.670 -6.187 5.628 276 H ASP 35 HN ASP 35 -10.101 -3.895 6.585 277 HA ASP 35 HA ASP 35 -8.272 -2.066 5.341 278 HB2 ASP 35 HB2 ASP 35 -7.384 -1.730 7.562 279 HB3 ASP 35 HB1 ASP 35 -9.142 -1.706 7.615 280 H ALA 36 HN ALA 36 -8.286 -5.137 4.955 281 HA ALA 36 HA ALA 36 -6.404 -6.707 5.709 282 HB1 ALA 36 HB1 ALA 36 -6.763 -5.992 2.818 283 HB2 ALA 36 HB2 ALA 36 -7.794 -7.101 3.735 284 HB3 ALA 36 HB3 ALA 36 -6.107 -7.520 3.419 285 H SER 37 HN SER 37 -4.657 -6.292 2.936 286 HA SER 37 HA SER 37 -2.685 -4.477 3.809 287 HB2 SER 37 HB2 SER 37 -1.077 -6.324 4.627 288 HB3 SER 37 HB1 SER 37 -2.339 -5.808 5.738 289 HG SER 37 HG SER 37 -2.800 -7.863 5.738 290 H LEU 38 HN LEU 38 -0.418 -5.447 3.092 291 HA LEU 38 HA LEU 38 -0.355 -5.608 0.324 292 HB2 LEU 38 HB2 LEU 38 1.788 -7.111 1.763 293 HB3 LEU 38 HB1 LEU 38 1.910 -5.903 0.504 294 HG LEU 38 HG LEU 38 1.257 -5.353 3.401 295 HD11 LEU 38 HD11 LEU 38 3.511 -5.844 3.420 296 HD12 LEU 38 HD12 LEU 38 3.537 -4.112 3.108 297 HD13 LEU 38 HD13 LEU 38 3.769 -5.253 1.785 298 HD21 LEU 38 HD21 LEU 38 0.332 -3.482 2.521 299 HD22 LEU 38 HD22 LEU 38 1.004 -3.770 0.923 300 HD23 LEU 38 HD23 LEU 38 1.973 -2.966 2.160 301 H ARG 39 HN ARG 39 0.603 -8.284 2.360 302 HA ARG 39 HA ARG 39 0.669 -10.516 1.536 303 HB2 ARG 39 HB2 ARG 39 -2.004 -10.386 2.738 304 HB3 ARG 39 HB1 ARG 39 -0.642 -11.399 3.173 305 HG2 ARG 39 HG2 ARG 39 -0.817 -8.410 3.739 306 HG3 ARG 39 HG1 ARG 39 -1.182 -9.655 4.906 307 HD2 ARG 39 HD2 ARG 39 1.480 -9.609 3.497 308 HD3 ARG 39 HD1 ARG 39 1.209 -8.625 4.936 309 HE ARG 39 HE ARG 39 0.382 -11.222 5.554 310 HH11 ARG 39 HH11 ARG 39 3.296 -9.574 4.587 311 HH12 ARG 39 HH12 ARG 39 4.340 -10.669 5.425 312 HH21 ARG 39 HH21 ARG 39 1.768 -12.640 6.647 313 HH22 ARG 39 HH22 ARG 39 3.480 -12.393 6.586 314 H LYS 40 HN LYS 40 -2.603 -9.366 1.148 315 HA LYS 40 HA LYS 40 -2.962 -11.180 -1.079 316 HB2 LYS 40 HB2 LYS 40 -4.584 -9.715 0.803 317 HB3 LYS 40 HB1 LYS 40 -5.273 -10.066 -0.792 318 HG2 LYS 40 HG2 LYS 40 -5.709 -11.897 0.898 319 HG3 LYS 40 HG1 LYS 40 -4.829 -12.441 -0.530 320 HD2 LYS 40 HD2 LYS 40 -2.678 -12.297 0.677 321 HD3 LYS 40 HD1 LYS 40 -3.510 -11.610 2.066 322 HE2 LYS 40 HE2 LYS 40 -3.098 -14.012 2.419 323 HE3 LYS 40 HE1 LYS 40 -4.828 -13.682 2.336 324 HZ1 LYS 40 HZ1 LYS 40 -4.278 -15.589 0.990 325 HZ2 LYS 40 HZ2 LYS 40 -3.125 -14.693 0.121 326 HZ3 LYS 40 HZ3 LYS 40 -4.777 -14.316 -0.012 327 H LEU 41 HN LEU 41 -3.773 -7.815 -0.405 328 HA LEU 41 HA LEU 41 -4.487 -7.055 -2.925 329 HB2 LEU 41 HB2 LEU 41 -4.589 -5.002 -2.026 330 HB3 LEU 41 HB1 LEU 41 -4.165 -5.790 -0.520 331 HG LEU 41 HG LEU 41 -1.703 -5.345 -1.277 332 HD11 LEU 41 HD11 LEU 41 -1.921 -3.001 -2.576 333 HD12 LEU 41 HD12 LEU 41 -3.378 -3.756 -3.207 334 HD13 LEU 41 HD13 LEU 41 -1.811 -4.521 -3.453 335 HD21 LEU 41 HD21 LEU 41 -3.523 -3.055 -0.511 336 HD22 LEU 41 HD22 LEU 41 -1.810 -3.226 -0.137 337 HD23 LEU 41 HD23 LEU 41 -2.989 -4.313 0.609 338 H GLN 42 HN GLN 42 -1.271 -7.210 -1.515 339 HA GLN 42 HA GLN 42 0.134 -6.565 -3.864 340 HB2 GLN 42 HB2 GLN 42 1.112 -6.264 -1.730 341 HB3 GLN 42 HB1 GLN 42 0.801 -7.935 -1.302 342 HG2 GLN 42 HG2 GLN 42 2.344 -8.718 -2.955 343 HG3 GLN 42 HG1 GLN 42 2.511 -7.083 -3.607 344 HE21 GLN 42 HE21 GLN 42 2.281 -8.056 -0.212 345 HE22 GLN 42 HE22 GLN 42 3.769 -7.407 0.234 346 H ALA 43 HN ALA 43 -0.861 -9.457 -2.117 347 HA ALA 43 HA ALA 43 0.358 -11.578 -2.951 348 HB1 ALA 43 HB1 ALA 43 -2.548 -11.333 -3.578 349 HB2 ALA 43 HB2 ALA 43 -1.821 -12.039 -2.143 350 HB3 ALA 43 HB3 ALA 43 -1.655 -12.834 -3.692 351 H ASP 44 HN ASP 44 -2.192 -10.910 -5.246 352 HA ASP 44 HA ASP 44 -0.890 -11.946 -7.475 353 HB2 ASP 44 HB2 ASP 44 -3.342 -11.560 -7.336 354 HB3 ASP 44 HB1 ASP 44 -3.048 -9.834 -7.513 355 H GLY 45 HN GLY 45 -1.082 -8.550 -6.380 356 HA2 GLY 45 HA2 GLY 45 1.452 -7.932 -7.270 357 HA3 GLY 45 HA1 GLY 45 0.393 -7.625 -8.609 358 H ARG 46 HN ARG 46 -1.018 -5.928 -8.549 359 HA ARG 46 HA ARG 46 -1.177 -3.604 -8.480 360 HB2 ARG 46 HB2 ARG 46 -2.521 -4.372 -5.910 361 HB3 ARG 46 HB1 ARG 46 -2.996 -3.130 -7.059 362 HG2 ARG 46 HG2 ARG 46 -4.392 -4.763 -7.818 363 HG3 ARG 46 HG1 ARG 46 -2.953 -5.271 -8.702 364 HD2 ARG 46 HD2 ARG 46 -3.380 -7.258 -7.666 365 HD3 ARG 46 HD1 ARG 46 -2.467 -6.480 -6.355 366 HE ARG 46 HE ARG 46 -5.130 -5.728 -5.989 367 HH11 ARG 46 HH11 ARG 46 -3.247 -8.657 -6.047 368 HH12 ARG 46 HH12 ARG 46 -4.338 -9.534 -5.032 369 HH21 ARG 46 HH21 ARG 46 -6.597 -6.932 -4.730 370 HH22 ARG 46 HH22 ARG 46 -6.220 -8.559 -4.282 371 H ILE 47 HN ILE 47 1.074 -4.585 -6.378 372 HA ILE 47 HA ILE 47 2.062 -2.050 -5.784 373 HB ILE 47 HB ILE 47 2.132 -2.170 -3.358 374 HG12 ILE 47 HG12 ILE 47 0.259 -4.493 -3.560 375 HG13 ILE 47 HG11 ILE 47 1.973 -4.676 -3.230 376 HG21 ILE 47 HG21 ILE 47 0.184 -1.081 -4.514 377 HG22 ILE 47 HG22 ILE 47 -0.123 -1.595 -2.859 378 HG23 ILE 47 HG23 ILE 47 -0.729 -2.558 -4.206 379 HD11 ILE 47 HD11 ILE 47 1.545 -2.923 -1.338 380 HD12 ILE 47 HD12 ILE 47 0.889 -4.529 -1.060 381 HD13 ILE 47 HD13 ILE 47 -0.167 -3.233 -1.606 382 H THR 48 HN THR 48 2.604 -4.447 -7.162 383 HA THR 48 HA THR 48 3.977 -6.287 -7.275 384 HB THR 48 HB THR 48 4.898 -4.070 -8.201 385 HG1 THR 48 HG1 THR 48 6.529 -5.267 -9.069 386 HG21 THR 48 HG21 THR 48 6.220 -4.047 -5.667 387 HG22 THR 48 HG22 THR 48 6.453 -2.947 -7.014 388 HG23 THR 48 HG23 THR 48 7.438 -4.400 -6.882 389 H GLU 49 HN GLU 49 6.599 -6.643 -6.375 390 HA GLU 49 HA GLU 49 5.947 -7.711 -3.788 391 HB2 GLU 49 HB2 GLU 49 8.392 -7.966 -5.529 392 HB3 GLU 49 HB1 GLU 49 8.245 -8.737 -3.950 393 HG2 GLU 49 HG2 GLU 49 6.292 -9.985 -4.683 394 HG3 GLU 49 HG1 GLU 49 6.286 -9.135 -6.228 395 H GLU 50 HN GLU 50 7.935 -5.082 -4.982 396 HA GLU 50 HA GLU 50 9.353 -4.827 -2.504 397 HB2 GLU 50 HB2 GLU 50 9.175 -3.100 -4.972 398 HB3 GLU 50 HB1 GLU 50 10.135 -2.659 -3.559 399 HG2 GLU 50 HG2 GLU 50 11.468 -4.668 -3.758 400 HG3 GLU 50 HG1 GLU 50 10.430 -5.281 -5.044 401 H GLN 51 HN GLN 51 7.878 -2.025 -3.944 402 HA GLN 51 HA GLN 51 7.288 -0.340 -2.266 403 HB2 GLN 51 HB2 GLN 51 4.678 -0.639 -3.159 404 HB3 GLN 51 HB1 GLN 51 5.959 0.304 -3.920 405 HG2 GLN 51 HG2 GLN 51 6.613 -1.550 -5.302 406 HG3 GLN 51 HG1 GLN 51 5.555 -2.661 -4.423 407 HE21 GLN 51 HE21 GLN 51 3.809 0.226 -4.670 408 HE22 GLN 51 HE22 GLN 51 2.972 -0.110 -6.124 409 H ALA 52 HN ALA 52 5.356 -3.422 -2.004 410 HA ALA 52 HA ALA 52 3.977 -2.418 0.215 411 HB1 ALA 52 HB1 ALA 52 3.426 -4.053 -1.680 412 HB2 ALA 52 HB2 ALA 52 2.747 -4.246 -0.070 413 HB3 ALA 52 HB3 ALA 52 4.115 -5.231 -0.566 414 H LYS 53 HN LYS 53 6.382 -5.013 -0.336 415 HA LYS 53 HA LYS 53 6.503 -5.542 2.425 416 HB2 LYS 53 HB2 LYS 53 7.431 -7.089 0.710 417 HB3 LYS 53 HB1 LYS 53 8.760 -5.936 0.480 418 HG2 LYS 53 HG2 LYS 53 9.430 -6.101 2.763 419 HG3 LYS 53 HG1 LYS 53 7.946 -6.976 3.164 420 HD2 LYS 53 HD2 LYS 53 9.803 -8.570 3.017 421 HD3 LYS 53 HD1 LYS 53 8.689 -8.846 1.676 422 HE2 LYS 53 HE2 LYS 53 10.124 -7.529 0.184 423 HE3 LYS 53 HE1 LYS 53 11.226 -7.194 1.520 424 HZ1 LYS 53 HZ1 LYS 53 10.599 -9.853 0.362 425 HZ2 LYS 53 HZ2 LYS 53 11.557 -9.605 1.743 426 HZ3 LYS 53 HZ3 LYS 53 12.066 -9.012 0.236 427 H ALA 54 HN ALA 54 8.185 -3.522 0.262 428 HA ALA 54 HA ALA 54 10.066 -2.375 1.992 429 HB1 ALA 54 HB1 ALA 54 9.955 -2.129 -0.552 430 HB2 ALA 54 HB2 ALA 54 10.315 -0.658 0.350 431 HB3 ALA 54 HB3 ALA 54 8.692 -0.929 -0.282 432 H TYR 55 HN TYR 55 6.640 -1.736 1.297 433 HA TYR 55 HA TYR 55 6.482 0.666 2.780 434 HB2 TYR 55 HB2 TYR 55 4.702 0.302 1.394 435 HB3 TYR 55 HB1 TYR 55 4.406 -1.336 2.001 436 HD1 TYR 55 HD1 TYR 55 4.286 2.277 2.882 437 HD2 TYR 55 HD2 TYR 55 3.142 -1.714 3.968 438 HE1 TYR 55 HE1 TYR 55 2.821 3.180 4.664 439 HE2 TYR 55 HE2 TYR 55 1.672 -0.801 5.753 440 HH TYR 55 HH TYR 55 1.848 2.383 6.825 441 H LYS 56 HN LYS 56 5.891 -2.686 3.638 442 HA LYS 56 HA LYS 56 4.948 -2.400 6.194 443 HB2 LYS 56 HB2 LYS 56 6.267 -4.418 4.600 444 HB3 LYS 56 HB1 LYS 56 6.834 -4.479 6.251 445 HG2 LYS 56 HG2 LYS 56 4.273 -4.282 6.843 446 HG3 LYS 56 HG1 LYS 56 4.054 -4.869 5.188 447 HD2 LYS 56 HD2 LYS 56 5.795 -6.246 7.261 448 HD3 LYS 56 HD1 LYS 56 4.126 -6.702 6.916 449 HE2 LYS 56 HE2 LYS 56 4.743 -7.097 4.544 450 HE3 LYS 56 HE1 LYS 56 6.418 -6.702 4.930 451 HZ1 LYS 56 HZ1 LYS 56 6.641 -8.580 6.249 452 HZ2 LYS 56 HZ2 LYS 56 5.720 -9.145 4.937 453 HZ3 LYS 56 HZ3 LYS 56 4.968 -8.795 6.420 454 H GLU 57 HN GLU 57 8.221 -2.667 5.085 455 HA GLU 57 HA GLU 57 9.621 -2.080 7.408 456 HB2 GLU 57 HB2 GLU 57 10.608 -2.991 5.370 457 HB3 GLU 57 HB1 GLU 57 10.359 -1.424 4.630 458 HG2 GLU 57 HG2 GLU 57 11.816 -0.353 6.268 459 HG3 GLU 57 HG1 GLU 57 12.029 -1.895 7.094 460 H TYR 58 HN TYR 58 8.224 -0.022 5.043 461 HA TYR 58 HA TYR 58 9.420 2.426 5.783 462 HB2 TYR 58 HB2 TYR 58 6.896 1.892 4.222 463 HB3 TYR 58 HB1 TYR 58 7.563 3.488 4.508 464 HD1 TYR 58 HD1 TYR 58 10.461 1.611 4.418 465 HD2 TYR 58 HD2 TYR 58 7.337 2.894 1.746 466 HE1 TYR 58 HE1 TYR 58 11.981 1.335 2.491 467 HE2 TYR 58 HE2 TYR 58 8.875 2.629 -0.168 468 HH TYR 58 HH TYR 58 11.427 2.653 -0.495 469 H HIS 59 HN HIS 59 6.203 1.128 6.389 470 HA HIS 59 HA HIS 59 5.663 3.244 8.312 471 HB2 HIS 59 HB2 HIS 59 3.872 2.427 6.878 472 HB3 HIS 59 HB1 HIS 59 3.999 0.826 7.597 473 HD1 HIS 59 HD1 HIS 59 3.193 0.563 10.066 474 HD2 HIS 59 HD2 HIS 59 2.615 4.380 8.499 475 HE1 HIS 59 HE1 HIS 59 1.655 1.772 11.676 476 HE2 HIS 59 HE2 HIS 59 1.293 4.102 10.732 477 H ASP 60 HN ASP 60 5.151 -0.199 8.681 478 HA ASP 60 HA ASP 60 5.446 -0.183 11.494 479 HB2 ASP 60 HB2 ASP 60 5.577 -2.452 9.531 480 HB3 ASP 60 HB1 ASP 60 5.305 -2.595 11.269 481 H LYS 61 HN LYS 61 7.737 -0.463 8.870 482 HA LYS 61 HA LYS 61 9.924 -0.957 8.933 483 HB2 LYS 61 HB2 LYS 61 9.899 0.495 10.926 484 HB3 LYS 61 HB1 LYS 61 9.803 -0.982 11.908 485 HG2 LYS 61 HG2 LYS 61 11.738 -1.812 10.485 486 HG3 LYS 61 HG1 LYS 61 11.953 -0.133 9.993 487 HD2 LYS 61 HD2 LYS 61 11.914 -1.065 12.882 488 HD3 LYS 61 HD1 LYS 61 13.378 -0.709 11.967 489 HE2 LYS 61 HE2 LYS 61 12.580 1.609 11.606 490 HE3 LYS 61 HE1 LYS 61 11.138 1.252 12.555 491 HZ1 LYS 61 HZ1 LYS 61 12.492 2.135 14.149 492 HZ2 LYS 61 HZ2 LYS 61 13.918 1.549 13.433 493 HZ3 LYS 61 HZ3 LYS 61 12.904 0.495 14.299 494 H ASN 62 HN ASN 62 8.146 -2.724 8.422 495 HA ASN 62 HA ASN 62 7.734 -4.851 8.080 496 HB2 ASN 62 HB2 ASN 62 10.257 -4.745 7.763 497 HB3 ASN 62 HB1 ASN 62 10.379 -5.470 9.367 498 HD21 ASN 62 HD21 ASN 62 11.128 -7.529 8.647 499 HD22 ASN 62 HD22 ASN 62 10.139 -8.571 7.724 500 H GLY 63 HN GLY 63 6.356 -4.084 10.193 501 HA2 GLY 63 HA2 GLY 63 6.874 -5.612 12.580 502 HA3 GLY 63 HA1 GLY 63 5.397 -4.712 12.210 503 H GLY 64 HN GLY 64 4.897 -7.044 13.372 504 HA2 GLY 64 HA2 GLY 64 4.305 -8.948 11.180 505 HA3 GLY 64 HA1 GLY 64 4.575 -9.421 12.851 506 H ALA 65 HN ALA 65 2.410 -7.394 10.875 507 HA ALA 65 HA ALA 65 0.093 -8.583 12.137 508 HB1 ALA 65 HB1 ALA 65 -0.685 -6.064 12.604 509 HB2 ALA 65 HB2 ALA 65 1.050 -5.855 12.849 510 HB3 ALA 65 HB3 ALA 65 0.155 -7.026 13.820 511 H ASN 66 HN ASN 66 -1.914 -7.911 11.117 512 HA ASN 66 HA ASN 66 -1.595 -7.451 8.271 513 HB2 ASN 66 HB2 ASN 66 -4.041 -7.668 8.184 514 HB3 ASN 66 HB1 ASN 66 -3.335 -8.970 9.161 515 HD21 ASN 66 HD21 ASN 66 -5.688 -6.517 9.190 516 HD22 ASN 66 HD22 ASN 66 -5.987 -6.494 10.867 517 H ARG 67 HN ARG 67 -3.592 -5.944 7.524 518 HA ARG 67 HA ARG 67 -4.427 -3.874 7.231 519 HB2 ARG 67 HB2 ARG 67 -5.051 -3.378 9.324 520 HB3 ARG 67 HB1 ARG 67 -3.374 -3.306 9.891 521 HG2 ARG 67 HG2 ARG 67 -2.980 -1.215 9.052 522 HG3 ARG 67 HG1 ARG 67 -3.992 -1.497 7.645 523 HD2 ARG 67 HD2 ARG 67 -4.725 0.200 9.471 524 HD3 ARG 67 HD1 ARG 67 -5.889 -0.856 8.659 525 HE ARG 67 HE ARG 67 -4.771 -2.067 11.041 526 HH11 ARG 67 HH11 ARG 67 -7.139 0.230 9.883 527 HH12 ARG 67 HH12 ARG 67 -8.161 0.071 11.268 528 HH21 ARG 67 HH21 ARG 67 -6.130 -2.246 12.857 529 HH22 ARG 67 HH22 ARG 67 -7.595 -1.322 12.952 530 H LYS 68 HN LYS 68 -1.362 -3.340 8.875 531 HA LYS 68 HA LYS 68 0.330 -1.858 8.281 532 HB2 LYS 68 HB2 LYS 68 1.049 -2.585 5.774 533 HB3 LYS 68 HB1 LYS 68 1.491 -3.475 7.222 534 HG2 LYS 68 HG2 LYS 68 -1.159 -4.154 5.961 535 HG3 LYS 68 HG1 LYS 68 0.303 -4.633 5.132 536 HD2 LYS 68 HD2 LYS 68 -0.183 -5.182 8.067 537 HD3 LYS 68 HD1 LYS 68 -0.592 -6.336 6.794 538 HE2 LYS 68 HE2 LYS 68 1.936 -5.851 6.042 539 HE3 LYS 68 HE1 LYS 68 2.103 -5.499 7.762 540 HZ1 LYS 68 HZ1 LYS 68 0.677 -7.934 6.999 541 HZ2 LYS 68 HZ2 LYS 68 1.671 -7.635 8.343 542 HZ3 LYS 68 HZ3 LYS 68 2.362 -7.925 6.818 543 H VAL 69 HN VAL 69 -0.985 -2.319 5.053 544 HA VAL 69 HA VAL 69 -1.052 0.491 4.741 545 HB VAL 69 HB VAL 69 -1.592 0.008 2.384 546 HG11 VAL 69 HG11 VAL 69 0.671 -1.592 3.555 547 HG12 VAL 69 HG12 VAL 69 0.736 0.080 2.998 548 HG13 VAL 69 HG13 VAL 69 0.481 -1.224 1.840 549 HG21 VAL 69 HG21 VAL 69 -1.712 -2.325 1.657 550 HG22 VAL 69 HG22 VAL 69 -2.944 -2.034 2.872 551 HG23 VAL 69 HG23 VAL 69 -1.465 -2.876 3.305 552 H ASN 70 HN ASN 70 -3.371 0.190 2.779 553 HA ASN 70 HA ASN 70 -5.646 0.447 2.850 554 HB2 ASN 70 HB2 ASN 70 -4.937 -1.798 4.638 555 HB3 ASN 70 HB1 ASN 70 -6.583 -1.224 4.725 556 HD21 ASN 70 HD21 ASN 70 -4.421 -3.215 2.966 557 HD22 ASN 70 HD22 ASN 70 -5.415 -3.505 1.612 558 H ASP 71 HN ASP 71 -7.513 0.439 4.858 559 HA ASP 71 HA ASP 71 -6.835 1.751 7.245 560 HB2 ASP 71 HB2 ASP 71 -6.063 3.638 6.018 561 HB3 ASP 71 HB1 ASP 71 -7.446 3.583 4.925 Start of MODEL 5 1 H1 ASN 1 HT1 ASN 1 11.552 27.624 -6.219 2 H2 ASN 1 HT2 ASN 1 11.422 27.533 -7.911 3 H3 ASN 1 HT3 ASN 1 11.344 26.118 -6.971 4 HA ASN 1 HA ASN 1 9.375 28.315 -6.718 5 HB2 ASN 1 HB2 ASN 1 9.363 25.869 -8.503 6 HB3 ASN 1 HB1 ASN 1 7.900 26.755 -8.081 7 HD21 ASN 1 HD21 ASN 1 8.895 26.569 -10.797 8 HD22 ASN 1 HD22 ASN 1 9.347 28.131 -11.286 9 H LEU 2 HN LEU 2 10.238 27.435 -4.447 10 HA LEU 2 HA LEU 2 8.565 25.119 -3.680 11 HB2 LEU 2 HB2 LEU 2 10.993 26.268 -2.279 12 HB3 LEU 2 HB1 LEU 2 10.077 24.852 -1.764 13 HG LEU 2 HG LEU 2 11.516 25.113 -4.422 14 HD11 LEU 2 HD11 LEU 2 13.157 23.594 -3.502 15 HD12 LEU 2 HD12 LEU 2 12.222 23.406 -2.019 16 HD13 LEU 2 HD13 LEU 2 12.997 24.948 -2.383 17 HD21 LEU 2 HD21 LEU 2 11.073 22.594 -4.424 18 HD22 LEU 2 HD22 LEU 2 9.657 23.617 -4.665 19 HD23 LEU 2 HD23 LEU 2 9.956 22.883 -3.091 20 H THR 3 HN THR 3 7.044 25.344 -2.121 21 HA THR 3 HA THR 3 6.702 28.053 -0.983 22 HB THR 3 HB THR 3 4.304 27.507 -0.834 23 HG1 THR 3 HG1 THR 3 5.093 25.135 -2.171 24 HG21 THR 3 HG21 THR 3 3.863 27.445 -3.288 25 HG22 THR 3 HG22 THR 3 5.566 27.070 -3.553 26 HG23 THR 3 HG23 THR 3 5.103 28.620 -2.846 27 H LYS 4 HN LYS 4 7.753 25.034 -0.121 28 HA LYS 4 HA LYS 4 6.546 25.136 2.564 29 HB2 LYS 4 HB2 LYS 4 6.387 23.000 1.324 30 HB3 LYS 4 HB1 LYS 4 8.147 22.924 1.258 31 HG2 LYS 4 HG2 LYS 4 8.228 22.963 3.737 32 HG3 LYS 4 HG1 LYS 4 6.465 22.976 3.781 33 HD2 LYS 4 HD2 LYS 4 8.076 20.809 2.406 34 HD3 LYS 4 HD1 LYS 4 7.509 20.687 4.072 35 HE2 LYS 4 HE2 LYS 4 5.174 21.032 3.268 36 HE3 LYS 4 HE1 LYS 4 5.773 21.040 1.610 37 HZ1 LYS 4 HZ1 LYS 4 5.113 18.855 1.983 38 HZ2 LYS 4 HZ2 LYS 4 5.766 18.813 3.551 39 HZ3 LYS 4 HZ3 LYS 4 6.794 18.805 2.199 40 H GLN 5 HN GLN 5 7.694 25.794 4.261 41 HA GLN 5 HA GLN 5 10.645 25.828 4.056 42 HB2 GLN 5 HB2 GLN 5 8.848 27.968 5.224 43 HB3 GLN 5 HB1 GLN 5 10.607 27.946 5.360 44 HG2 GLN 5 HG2 GLN 5 10.801 27.971 2.899 45 HG3 GLN 5 HG1 GLN 5 9.044 27.998 2.762 46 HE21 GLN 5 HE21 GLN 5 8.703 30.100 1.938 47 HE22 GLN 5 HE22 GLN 5 9.223 31.523 2.740 48 H LYS 6 HN LYS 6 11.779 25.447 5.989 49 HA LYS 6 HA LYS 6 12.173 24.530 8.041 50 HB2 LYS 6 HB2 LYS 6 10.494 26.439 8.648 51 HB3 LYS 6 HB1 LYS 6 9.344 25.116 8.859 52 HG2 LYS 6 HG2 LYS 6 10.883 24.018 10.418 53 HG3 LYS 6 HG1 LYS 6 12.050 25.315 10.209 54 HD2 LYS 6 HD2 LYS 6 10.393 26.939 11.081 55 HD3 LYS 6 HD1 LYS 6 9.249 25.622 11.336 56 HE2 LYS 6 HE2 LYS 6 10.827 24.541 12.895 57 HE3 LYS 6 HE1 LYS 6 11.982 25.847 12.636 58 HZ1 LYS 6 HZ1 LYS 6 10.908 26.544 14.527 59 HZ2 LYS 6 HZ2 LYS 6 9.406 25.897 14.052 60 HZ3 LYS 6 HZ3 LYS 6 9.984 27.323 13.333 61 H GLU 7 HN GLU 7 11.938 22.496 9.029 62 HA GLU 7 HA GLU 7 11.377 20.260 9.071 63 HB2 GLU 7 HB2 GLU 7 8.624 21.343 8.410 64 HB3 GLU 7 HB1 GLU 7 8.978 19.731 9.034 65 HG2 GLU 7 HG2 GLU 7 9.679 22.309 10.462 66 HG3 GLU 7 HG1 GLU 7 8.258 21.330 10.817 67 H ALA 8 HN ALA 8 12.605 20.993 6.795 68 HA ALA 8 HA ALA 8 11.266 20.573 4.369 69 HB1 ALA 8 HB1 ALA 8 14.134 20.302 5.224 70 HB2 ALA 8 HB2 ALA 8 13.397 21.524 4.188 71 HB3 ALA 8 HB3 ALA 8 13.637 19.883 3.585 72 H VAL 9 HN VAL 9 10.992 18.810 3.056 73 HA VAL 9 HA VAL 9 11.541 16.155 4.229 74 HB VAL 9 HB VAL 9 9.364 15.387 3.349 75 HG11 VAL 9 HG11 VAL 9 7.936 16.685 4.967 76 HG12 VAL 9 HG12 VAL 9 9.295 17.782 5.207 77 HG13 VAL 9 HG13 VAL 9 9.439 16.085 5.668 78 HG21 VAL 9 HG21 VAL 9 8.872 18.328 2.782 79 HG22 VAL 9 HG22 VAL 9 7.747 16.999 2.499 80 HG23 VAL 9 HG23 VAL 9 9.222 17.123 1.543 81 H ASN 10 HN ASN 10 11.535 14.409 2.585 82 HA ASN 10 HA ASN 10 12.989 15.280 0.243 83 HB2 ASN 10 HB2 ASN 10 13.400 12.914 -0.145 84 HB3 ASN 10 HB1 ASN 10 13.722 13.314 1.540 85 HD21 ASN 10 HD21 ASN 10 13.344 10.799 1.626 86 HD22 ASN 10 HD22 ASN 10 11.728 10.300 1.912 87 H ASP 11 HN ASP 11 9.820 15.256 0.802 88 HA ASP 11 HA ASP 11 7.924 15.109 -0.477 89 HB2 ASP 11 HB2 ASP 11 10.031 15.770 -2.529 90 HB3 ASP 11 HB1 ASP 11 8.321 15.662 -2.939 91 H LYS 12 HN LYS 12 9.403 13.948 -3.378 92 HA LYS 12 HA LYS 12 7.867 11.546 -3.272 93 HB2 LYS 12 HB2 LYS 12 8.777 11.088 -5.464 94 HB3 LYS 12 HB1 LYS 12 8.337 12.793 -5.367 95 HG2 LYS 12 HG2 LYS 12 10.688 13.374 -4.871 96 HG3 LYS 12 HG1 LYS 12 11.131 11.672 -4.992 97 HD2 LYS 12 HD2 LYS 12 10.351 11.629 -7.333 98 HD3 LYS 12 HD1 LYS 12 9.916 13.332 -7.218 99 HE2 LYS 12 HE2 LYS 12 12.266 13.909 -6.744 100 HE3 LYS 12 HE1 LYS 12 12.708 12.205 -6.850 101 HZ1 LYS 12 HZ1 LYS 12 13.134 12.841 -8.971 102 HZ2 LYS 12 HZ2 LYS 12 11.964 14.072 -8.974 103 HZ3 LYS 12 HZ3 LYS 12 11.495 12.450 -9.158 104 H GLY 13 HN GLY 13 8.921 9.411 -3.871 105 HA2 GLY 13 HA2 GLY 13 10.887 7.990 -3.684 106 HA3 GLY 13 HA1 GLY 13 11.433 9.015 -2.370 107 H LYS 14 HN LYS 14 11.432 7.750 -0.599 108 HA LYS 14 HA LYS 14 9.721 5.578 -0.162 109 HB2 LYS 14 HB2 LYS 14 10.498 5.607 2.121 110 HB3 LYS 14 HB1 LYS 14 11.854 6.028 1.076 111 HG2 LYS 14 HG2 LYS 14 11.368 8.445 1.497 112 HG3 LYS 14 HG1 LYS 14 10.121 7.958 2.644 113 HD2 LYS 14 HD2 LYS 14 13.014 7.086 2.860 114 HD3 LYS 14 HD1 LYS 14 12.356 8.493 3.697 115 HE2 LYS 14 HE2 LYS 14 10.667 7.026 4.785 116 HE3 LYS 14 HE1 LYS 14 11.404 5.630 4.000 117 HZ1 LYS 14 HZ1 LYS 14 13.545 6.446 5.085 118 HZ2 LYS 14 HZ2 LYS 14 12.391 5.698 6.084 119 HZ3 LYS 14 HZ3 LYS 14 12.545 7.390 6.076 120 H ALA 15 HN ALA 15 9.215 8.992 0.257 121 HA ALA 15 HA ALA 15 6.971 8.713 2.047 122 HB1 ALA 15 HB1 ALA 15 8.405 10.910 0.707 123 HB2 ALA 15 HB2 ALA 15 7.720 10.833 2.329 124 HB3 ALA 15 HB3 ALA 15 6.683 11.199 0.949 125 H ALA 16 HN ALA 16 7.162 9.836 -1.327 126 HA ALA 16 HA ALA 16 4.415 9.722 -1.858 127 HB1 ALA 16 HB1 ALA 16 6.844 9.740 -3.624 128 HB2 ALA 16 HB2 ALA 16 5.679 11.033 -3.343 129 HB3 ALA 16 HB3 ALA 16 5.218 9.623 -4.297 130 H VAL 17 HN VAL 17 6.989 7.459 -2.371 131 HA VAL 17 HA VAL 17 5.528 5.512 -3.804 132 HB VAL 17 HB VAL 17 7.839 5.146 -1.896 133 HG11 VAL 17 HG11 VAL 17 7.988 2.904 -3.099 134 HG12 VAL 17 HG12 VAL 17 6.340 3.206 -3.664 135 HG13 VAL 17 HG13 VAL 17 6.672 3.069 -1.938 136 HG21 VAL 17 HG21 VAL 17 7.727 4.909 -4.914 137 HG22 VAL 17 HG22 VAL 17 9.159 5.024 -3.890 138 HG23 VAL 17 HG23 VAL 17 8.109 6.425 -4.099 139 H VAL 18 HN VAL 18 6.203 5.644 -0.290 140 HA VAL 18 HA VAL 18 4.494 3.575 0.426 141 HB VAL 18 HB VAL 18 5.287 6.075 1.917 142 HG11 VAL 18 HG11 VAL 18 4.519 4.453 3.899 143 HG12 VAL 18 HG12 VAL 18 3.440 3.833 2.649 144 HG13 VAL 18 HG13 VAL 18 3.377 5.532 3.100 145 HG21 VAL 18 HG21 VAL 18 6.999 4.262 1.284 146 HG22 VAL 18 HG22 VAL 18 6.105 3.186 2.358 147 HG23 VAL 18 HG23 VAL 18 6.875 4.633 3.005 148 H LYS 19 HN LYS 19 3.883 6.961 -0.124 149 HA LYS 19 HA LYS 19 1.255 7.035 0.831 150 HB2 LYS 19 HB2 LYS 19 2.920 8.719 -0.935 151 HB3 LYS 19 HB1 LYS 19 1.181 8.928 -1.081 152 HG2 LYS 19 HG2 LYS 19 2.486 10.375 0.672 153 HG3 LYS 19 HG1 LYS 19 0.948 9.656 1.137 154 HD2 LYS 19 HD2 LYS 19 1.928 8.149 2.578 155 HD3 LYS 19 HD1 LYS 19 3.402 8.017 1.626 156 HE2 LYS 19 HE2 LYS 19 3.827 9.197 3.751 157 HE3 LYS 19 HE1 LYS 19 4.088 10.269 2.376 158 HZ1 LYS 19 HZ1 LYS 19 2.027 11.313 2.727 159 HZ2 LYS 19 HZ2 LYS 19 2.740 11.198 4.266 160 HZ3 LYS 19 HZ3 LYS 19 1.505 10.121 3.815 161 H VAL 20 HN VAL 20 2.499 6.112 -2.395 162 HA VAL 20 HA VAL 20 -0.155 5.931 -3.423 163 HB VAL 20 HB VAL 20 0.865 4.655 -5.331 164 HG11 VAL 20 HG11 VAL 20 2.106 7.328 -4.631 165 HG12 VAL 20 HG12 VAL 20 0.473 7.108 -5.272 166 HG13 VAL 20 HG13 VAL 20 1.874 6.666 -6.250 167 HG21 VAL 20 HG21 VAL 20 2.832 3.838 -3.971 168 HG22 VAL 20 HG22 VAL 20 3.455 5.487 -4.013 169 HG23 VAL 20 HG23 VAL 20 3.261 4.579 -5.511 170 H VAL 21 HN VAL 21 1.787 3.818 -1.491 171 HA VAL 21 HA VAL 21 0.145 1.531 -2.245 172 HB VAL 21 HB VAL 21 1.602 0.171 -1.153 173 HG11 VAL 21 HG11 VAL 21 3.805 0.848 -1.507 174 HG12 VAL 21 HG12 VAL 21 3.477 2.510 -1.038 175 HG13 VAL 21 HG13 VAL 21 2.898 1.905 -2.588 176 HG21 VAL 21 HG21 VAL 21 1.052 0.868 1.109 177 HG22 VAL 21 HG22 VAL 21 1.997 2.338 0.926 178 HG23 VAL 21 HG23 VAL 21 2.804 0.778 0.955 179 H GLU 22 HN GLU 22 0.567 3.694 0.624 180 HA GLU 22 HA GLU 22 -1.543 2.459 2.131 181 HB2 GLU 22 HB2 GLU 22 -0.436 5.285 2.171 182 HB3 GLU 22 HB1 GLU 22 -1.636 4.683 3.314 183 HG2 GLU 22 HG2 GLU 22 -0.090 2.970 4.092 184 HG3 GLU 22 HG1 GLU 22 1.091 3.465 2.881 185 H SER 23 HN SER 23 -1.483 5.377 0.057 186 HA SER 23 HA SER 23 -4.138 5.898 0.329 187 HB2 SER 23 HB2 SER 23 -2.576 7.505 -0.591 188 HB3 SER 23 HB1 SER 23 -2.332 6.489 -2.009 189 HG SER 23 HG SER 23 -4.141 7.207 -2.802 190 H GLN 24 HN GLN 24 -2.583 3.818 -2.194 191 HA GLN 24 HA GLN 24 -5.029 3.516 -3.615 192 HB2 GLN 24 HB2 GLN 24 -3.962 1.827 -4.894 193 HB3 GLN 24 HB1 GLN 24 -2.704 2.999 -4.518 194 HG2 GLN 24 HG2 GLN 24 -1.900 1.589 -2.680 195 HG3 GLN 24 HG1 GLN 24 -3.192 0.430 -2.974 196 HE21 GLN 24 HE21 GLN 24 -2.963 -1.059 -4.707 197 HE22 GLN 24 HE22 GLN 24 -1.545 -1.154 -5.681 198 H ALA 25 HN ALA 25 -3.571 1.966 -0.915 199 HA ALA 25 HA ALA 25 -5.404 -0.242 -0.834 200 HB1 ALA 25 HB1 ALA 25 -3.378 -0.749 0.017 201 HB2 ALA 25 HB2 ALA 25 -4.331 -0.509 1.461 202 HB3 ALA 25 HB3 ALA 25 -3.222 0.746 0.913 203 H GLU 26 HN GLU 26 -5.182 2.911 0.535 204 HA GLU 26 HA GLU 26 -6.987 2.634 2.646 205 HB2 GLU 26 HB2 GLU 26 -6.113 4.724 2.755 206 HB3 GLU 26 HB1 GLU 26 -5.921 4.849 1.004 207 HG2 GLU 26 HG2 GLU 26 -8.374 5.249 0.776 208 HG3 GLU 26 HG1 GLU 26 -8.557 5.076 2.518 209 H LEU 27 HN LEU 27 -7.427 3.308 -0.794 210 HA LEU 27 HA LEU 27 -10.258 3.298 -0.550 211 HB2 LEU 27 HB2 LEU 27 -8.623 2.753 -2.974 212 HB3 LEU 27 HB1 LEU 27 -10.400 2.887 -2.864 213 HG LEU 27 HG LEU 27 -8.467 5.097 -2.033 214 HD11 LEU 27 HD11 LEU 27 -10.058 4.847 -4.604 215 HD12 LEU 27 HD12 LEU 27 -8.316 4.614 -4.472 216 HD13 LEU 27 HD13 LEU 27 -9.019 6.197 -4.145 217 HD21 LEU 27 HD21 LEU 27 -11.453 4.929 -2.438 218 HD22 LEU 27 HD22 LEU 27 -10.595 6.460 -2.300 219 HD23 LEU 27 HD23 LEU 27 -10.593 5.322 -0.952 220 H TYR 28 HN TYR 28 -7.789 0.905 -1.020 221 HA TYR 28 HA TYR 28 -9.468 -0.997 -1.990 222 HB2 TYR 28 HB2 TYR 28 -7.187 -1.316 -0.073 223 HB3 TYR 28 HB1 TYR 28 -8.133 -2.645 -0.674 224 HD1 TYR 28 HD1 TYR 28 -8.231 -0.463 -3.347 225 HD2 TYR 28 HD2 TYR 28 -5.448 -2.993 -1.281 226 HE1 TYR 28 HE1 TYR 28 -6.827 -0.562 -5.375 227 HE2 TYR 28 HE2 TYR 28 -4.043 -3.098 -3.319 228 HH TYR 28 HH TYR 28 -5.126 -2.138 -6.349 229 H SER 29 HN SER 29 -8.919 0.007 1.233 230 HA SER 29 HA SER 29 -10.719 -1.507 2.702 231 HB2 SER 29 HB2 SER 29 -10.361 1.421 3.222 232 HB3 SER 29 HB1 SER 29 -10.339 0.070 4.361 233 HG SER 29 HG SER 29 -8.334 -0.533 3.114 234 H LEU 30 HN LEU 30 -11.071 1.641 1.027 235 HA LEU 30 HA LEU 30 -13.777 2.062 1.567 236 HB2 LEU 30 HB2 LEU 30 -12.387 3.845 0.690 237 HB3 LEU 30 HB1 LEU 30 -12.155 2.941 -0.803 238 HG LEU 30 HG LEU 30 -14.607 3.039 -1.227 239 HD11 LEU 30 HD11 LEU 30 -15.890 4.708 0.229 240 HD12 LEU 30 HD12 LEU 30 -14.552 4.587 1.372 241 HD13 LEU 30 HD13 LEU 30 -15.510 3.158 0.979 242 HD21 LEU 30 HD21 LEU 30 -14.704 5.659 -1.402 243 HD22 LEU 30 HD22 LEU 30 -13.498 4.782 -2.341 244 HD23 LEU 30 HD23 LEU 30 -13.031 5.585 -0.842 245 H GLU 31 HN GLU 31 -12.522 1.192 -1.587 246 HA GLU 31 HA GLU 31 -14.916 0.000 -2.421 247 HB2 GLU 31 HB2 GLU 31 -13.361 -0.945 -4.289 248 HB3 GLU 31 HB1 GLU 31 -13.642 0.791 -4.198 249 HG2 GLU 31 HG2 GLU 31 -11.545 1.237 -3.320 250 HG3 GLU 31 HG1 GLU 31 -11.321 -0.408 -2.744 251 H LYS 32 HN LYS 32 -12.067 -1.930 -2.761 252 HA LYS 32 HA LYS 32 -12.534 -4.467 -2.366 253 HB2 LYS 32 HB2 LYS 32 -10.305 -3.255 -0.740 254 HB3 LYS 32 HB1 LYS 32 -10.379 -4.851 -1.392 255 HG2 LYS 32 HG2 LYS 32 -10.754 -2.784 -3.428 256 HG3 LYS 32 HG1 LYS 32 -9.217 -2.706 -2.650 257 HD2 LYS 32 HD2 LYS 32 -10.318 -5.279 -3.718 258 HD3 LYS 32 HD1 LYS 32 -9.320 -4.194 -4.690 259 HE2 LYS 32 HE2 LYS 32 -7.805 -4.297 -2.435 260 HE3 LYS 32 HE1 LYS 32 -8.567 -5.903 -2.387 261 HZ1 LYS 32 HZ1 LYS 32 -6.383 -5.491 -3.733 262 HZ2 LYS 32 HZ2 LYS 32 -7.466 -4.978 -4.936 263 HZ3 LYS 32 HZ3 LYS 32 -7.573 -6.553 -4.306 264 H ASN 33 HN ASN 33 -12.958 -2.243 0.299 265 HA ASN 33 HA ASN 33 -14.278 -2.449 2.193 266 HB2 ASN 33 HB2 ASN 33 -14.154 -5.452 2.000 267 HB3 ASN 33 HB1 ASN 33 -15.325 -4.453 2.858 268 HD21 ASN 33 HD21 ASN 33 -15.942 -2.573 0.785 269 HD22 ASN 33 HD22 ASN 33 -16.734 -3.427 -0.474 270 H GLU 34 HN GLU 34 -11.930 -5.162 2.016 271 HA GLU 34 HA GLU 34 -10.350 -3.933 4.080 272 HB2 GLU 34 HB2 GLU 34 -12.229 -5.130 5.286 273 HB3 GLU 34 HB1 GLU 34 -11.584 -6.637 4.635 274 HG2 GLU 34 HG2 GLU 34 -9.425 -6.208 5.721 275 HG3 GLU 34 HG1 GLU 34 -10.025 -4.666 6.325 276 H ASP 35 HN ASP 35 -9.401 -4.268 1.693 277 HA ASP 35 HA ASP 35 -8.387 -6.800 0.974 278 HB2 ASP 35 HB2 ASP 35 -8.433 -4.837 -0.517 279 HB3 ASP 35 HB1 ASP 35 -7.167 -4.102 0.458 280 H ALA 36 HN ALA 36 -7.096 -4.143 2.909 281 HA ALA 36 HA ALA 36 -5.071 -3.949 4.029 282 HB1 ALA 36 HB1 ALA 36 -6.763 -4.389 5.509 283 HB2 ALA 36 HB2 ALA 36 -5.326 -5.283 6.034 284 HB3 ALA 36 HB3 ALA 36 -6.635 -6.133 5.231 285 H SER 37 HN SER 37 -3.539 -5.215 5.357 286 HA SER 37 HA SER 37 -1.430 -5.908 5.153 287 HB2 SER 37 HB2 SER 37 -1.980 -8.489 4.055 288 HB3 SER 37 HB1 SER 37 -1.474 -8.047 5.688 289 HG SER 37 HG SER 37 -3.621 -7.691 6.215 290 H LEU 38 HN LEU 38 0.190 -5.636 3.824 291 HA LEU 38 HA LEU 38 -0.008 -5.045 1.085 292 HB2 LEU 38 HB2 LEU 38 2.303 -6.266 2.612 293 HB3 LEU 38 HB1 LEU 38 2.409 -5.543 1.000 294 HG LEU 38 HG LEU 38 1.447 -4.107 3.397 295 HD11 LEU 38 HD11 LEU 38 3.828 -4.869 3.551 296 HD12 LEU 38 HD12 LEU 38 3.625 -3.128 3.591 297 HD13 LEU 38 HD13 LEU 38 4.129 -3.924 2.112 298 HD21 LEU 38 HD21 LEU 38 0.626 -3.117 1.441 299 HD22 LEU 38 HD22 LEU 38 2.165 -3.331 0.616 300 HD23 LEU 38 HD23 LEU 38 2.014 -2.148 1.911 301 H ARG 39 HN ARG 39 0.733 -7.728 2.980 302 HA ARG 39 HA ARG 39 1.465 -9.719 1.438 303 HB2 ARG 39 HB2 ARG 39 -0.840 -10.251 3.238 304 HB3 ARG 39 HB1 ARG 39 0.648 -11.181 3.049 305 HG2 ARG 39 HG2 ARG 39 1.797 -8.969 3.924 306 HG3 ARG 39 HG1 ARG 39 0.190 -8.611 4.581 307 HD2 ARG 39 HD2 ARG 39 1.688 -11.198 5.098 308 HD3 ARG 39 HD1 ARG 39 1.823 -9.772 6.139 309 HE ARG 39 HE ARG 39 -0.913 -10.375 5.788 310 HH11 ARG 39 HH11 ARG 39 1.955 -11.713 7.241 311 HH12 ARG 39 HH12 ARG 39 1.087 -12.553 8.478 312 HH21 ARG 39 HH21 ARG 39 -2.032 -11.485 7.414 313 HH22 ARG 39 HH22 ARG 39 -1.159 -12.427 8.576 314 H LYS 40 HN LYS 40 -1.802 -8.524 1.715 315 HA LYS 40 HA LYS 40 -2.772 -10.253 -0.306 316 HB2 LYS 40 HB2 LYS 40 -3.798 -8.171 1.439 317 HB3 LYS 40 HB1 LYS 40 -4.731 -8.634 -0.000 318 HG2 LYS 40 HG2 LYS 40 -5.347 -9.986 2.027 319 HG3 LYS 40 HG1 LYS 40 -4.724 -10.973 0.703 320 HD2 LYS 40 HD2 LYS 40 -2.564 -11.166 1.735 321 HD3 LYS 40 HD1 LYS 40 -2.948 -9.906 2.894 322 HE2 LYS 40 HE2 LYS 40 -3.120 -12.108 3.971 323 HE3 LYS 40 HE1 LYS 40 -4.706 -11.339 3.894 324 HZ1 LYS 40 HZ1 LYS 40 -5.009 -13.538 3.172 325 HZ2 LYS 40 HZ2 LYS 40 -3.640 -13.495 2.166 326 HZ3 LYS 40 HZ3 LYS 40 -5.026 -12.600 1.760 327 H LEU 41 HN LEU 41 -1.993 -6.740 -0.218 328 HA LEU 41 HA LEU 41 -3.054 -6.151 -2.816 329 HB2 LEU 41 HB2 LEU 41 -0.434 -4.957 -2.007 330 HB3 LEU 41 HB1 LEU 41 -1.805 -4.194 -2.811 331 HG LEU 41 HG LEU 41 -1.584 -4.996 0.073 332 HD11 LEU 41 HD11 LEU 41 -2.235 -2.415 0.110 333 HD12 LEU 41 HD12 LEU 41 -1.477 -2.445 -1.473 334 HD13 LEU 41 HD13 LEU 41 -0.580 -2.949 -0.052 335 HD21 LEU 41 HD21 LEU 41 -3.950 -4.231 -1.617 336 HD22 LEU 41 HD22 LEU 41 -3.915 -3.756 0.079 337 HD23 LEU 41 HD23 LEU 41 -3.838 -5.459 -0.360 338 H GLN 42 HN GLN 42 0.046 -7.007 -1.618 339 HA GLN 42 HA GLN 42 1.472 -7.476 -3.907 340 HB2 GLN 42 HB2 GLN 42 1.518 -8.641 -1.146 341 HB3 GLN 42 HB1 GLN 42 2.724 -8.967 -2.320 342 HG2 GLN 42 HG2 GLN 42 3.348 -6.728 -2.479 343 HG3 GLN 42 HG1 GLN 42 2.033 -6.224 -1.424 344 HE21 GLN 42 HE21 GLN 42 2.111 -8.092 0.533 345 HE22 GLN 42 HE22 GLN 42 3.553 -8.002 1.387 346 H ALA 43 HN ALA 43 -0.679 -9.407 -1.934 347 HA ALA 43 HA ALA 43 -0.135 -11.895 -2.930 348 HB1 ALA 43 HB1 ALA 43 -2.828 -10.831 -2.323 349 HB2 ALA 43 HB2 ALA 43 -1.765 -11.666 -1.193 350 HB3 ALA 43 HB3 ALA 43 -2.468 -12.531 -2.550 351 H ASP 44 HN ASP 44 -2.303 -9.439 -4.120 352 HA ASP 44 HA ASP 44 -2.624 -10.885 -6.675 353 HB2 ASP 44 HB2 ASP 44 -4.659 -10.221 -5.237 354 HB3 ASP 44 HB1 ASP 44 -4.318 -8.575 -5.760 355 H GLY 45 HN GLY 45 -0.410 -9.035 -5.683 356 HA2 GLY 45 HA2 GLY 45 1.053 -7.855 -7.120 357 HA3 GLY 45 HA1 GLY 45 -0.325 -7.495 -8.121 358 H ARG 46 HN ARG 46 -1.075 -5.475 -8.109 359 HA ARG 46 HA ARG 46 -0.774 -3.234 -7.879 360 HB2 ARG 46 HB2 ARG 46 -2.247 -3.594 -5.318 361 HB3 ARG 46 HB1 ARG 46 -2.514 -2.446 -6.623 362 HG2 ARG 46 HG2 ARG 46 -4.224 -3.873 -7.117 363 HG3 ARG 46 HG1 ARG 46 -2.947 -4.712 -7.992 364 HD2 ARG 46 HD2 ARG 46 -2.966 -6.468 -6.560 365 HD3 ARG 46 HD1 ARG 46 -3.089 -5.424 -5.134 366 HE ARG 46 HE ARG 46 -5.432 -5.583 -5.276 367 HH11 ARG 46 HH11 ARG 46 -3.914 -6.867 -8.152 368 HH12 ARG 46 HH12 ARG 46 -5.368 -7.586 -8.750 369 HH21 ARG 46 HH21 ARG 46 -7.321 -6.571 -6.086 370 HH22 ARG 46 HH22 ARG 46 -7.281 -7.421 -7.592 371 H ILE 47 HN ILE 47 1.552 -4.318 -6.837 372 HA ILE 47 HA ILE 47 3.043 -2.333 -5.931 373 HB ILE 47 HB ILE 47 3.330 -2.574 -3.457 374 HG12 ILE 47 HG12 ILE 47 0.588 -3.749 -3.604 375 HG13 ILE 47 HG11 ILE 47 2.036 -4.576 -3.076 376 HG21 ILE 47 HG21 ILE 47 2.293 -0.637 -3.215 377 HG22 ILE 47 HG22 ILE 47 0.710 -1.310 -3.552 378 HG23 ILE 47 HG23 ILE 47 1.760 -0.806 -4.882 379 HD11 ILE 47 HD11 ILE 47 2.258 -2.614 -1.386 380 HD12 ILE 47 HD12 ILE 47 1.003 -3.809 -1.071 381 HD13 ILE 47 HD13 ILE 47 0.577 -2.251 -1.790 382 H THR 48 HN THR 48 2.543 -5.546 -6.282 383 HA THR 48 HA THR 48 3.793 -7.446 -5.784 384 HB THR 48 HB THR 48 4.663 -5.951 -7.830 385 HG1 THR 48 HG1 THR 48 5.687 -7.779 -8.442 386 HG21 THR 48 HG21 THR 48 7.266 -6.475 -6.455 387 HG22 THR 48 HG22 THR 48 6.405 -4.970 -6.114 388 HG23 THR 48 HG23 THR 48 6.894 -5.356 -7.762 389 H GLU 49 HN GLU 49 6.395 -7.972 -5.015 390 HA GLU 49 HA GLU 49 6.225 -7.018 -2.282 391 HB2 GLU 49 HB2 GLU 49 8.031 -9.045 -3.600 392 HB3 GLU 49 HB1 GLU 49 8.124 -8.631 -1.889 393 HG2 GLU 49 HG2 GLU 49 5.793 -9.296 -1.566 394 HG3 GLU 49 HG1 GLU 49 5.629 -9.630 -3.289 395 H GLU 50 HN GLU 50 7.704 -5.652 -4.824 396 HA GLU 50 HA GLU 50 10.240 -5.028 -3.642 397 HB2 GLU 50 HB2 GLU 50 9.919 -5.066 -6.075 398 HB3 GLU 50 HB1 GLU 50 8.812 -3.698 -5.949 399 HG2 GLU 50 HG2 GLU 50 10.601 -2.310 -4.999 400 HG3 GLU 50 HG1 GLU 50 11.716 -3.674 -5.073 401 H GLN 51 HN GLN 51 7.416 -2.970 -4.329 402 HA GLN 51 HA GLN 51 8.461 -0.922 -2.617 403 HB2 GLN 51 HB2 GLN 51 6.357 0.279 -3.324 404 HB3 GLN 51 HB1 GLN 51 7.480 -0.119 -4.626 405 HG2 GLN 51 HG2 GLN 51 6.149 -1.852 -5.429 406 HG3 GLN 51 HG1 GLN 51 5.300 -2.055 -3.889 407 HE21 GLN 51 HE21 GLN 51 4.430 0.507 -3.315 408 HE22 GLN 51 HE22 GLN 51 3.391 1.069 -4.553 409 H ALA 52 HN ALA 52 6.072 -3.462 -2.589 410 HA ALA 52 HA ALA 52 4.595 -2.429 -0.467 411 HB1 ALA 52 HB1 ALA 52 3.569 -4.124 -1.494 412 HB2 ALA 52 HB2 ALA 52 4.160 -4.908 -0.052 413 HB3 ALA 52 HB3 ALA 52 4.988 -5.131 -1.585 414 H LYS 53 HN LYS 53 7.536 -4.432 -0.811 415 HA LYS 53 HA LYS 53 7.785 -4.837 1.963 416 HB2 LYS 53 HB2 LYS 53 9.719 -5.117 -0.268 417 HB3 LYS 53 HB1 LYS 53 10.301 -5.114 1.398 418 HG2 LYS 53 HG2 LYS 53 8.759 -6.884 1.997 419 HG3 LYS 53 HG1 LYS 53 8.091 -6.892 0.348 420 HD2 LYS 53 HD2 LYS 53 10.170 -7.671 -0.581 421 HD3 LYS 53 HD1 LYS 53 11.024 -7.390 0.936 422 HE2 LYS 53 HE2 LYS 53 10.551 -9.782 0.678 423 HE3 LYS 53 HE1 LYS 53 9.626 -9.130 2.027 424 HZ1 LYS 53 HZ1 LYS 53 7.952 -10.174 0.973 425 HZ2 LYS 53 HZ2 LYS 53 8.713 -10.129 -0.545 426 HZ3 LYS 53 HZ3 LYS 53 7.906 -8.759 0.045 427 H ALA 54 HN ALA 54 8.438 -2.263 -0.133 428 HA ALA 54 HA ALA 54 10.197 -0.828 1.601 429 HB1 ALA 54 HB1 ALA 54 8.089 0.643 0.046 430 HB2 ALA 54 HB2 ALA 54 9.325 -0.232 -0.858 431 HB3 ALA 54 HB3 ALA 54 9.792 1.040 0.269 432 H TYR 55 HN TYR 55 6.697 -1.322 1.275 433 HA TYR 55 HA TYR 55 6.143 0.331 3.606 434 HB2 TYR 55 HB2 TYR 55 4.605 -0.021 1.651 435 HB3 TYR 55 HB1 TYR 55 4.199 -1.581 2.416 436 HD1 TYR 55 HD1 TYR 55 4.566 2.067 3.144 437 HD2 TYR 55 HD2 TYR 55 2.636 -1.620 4.146 438 HE1 TYR 55 HE1 TYR 55 3.168 3.264 4.791 439 HE2 TYR 55 HE2 TYR 55 1.229 -0.412 5.810 440 HH TYR 55 HH TYR 55 1.603 1.900 7.208 441 H LYS 56 HN LYS 56 6.602 -3.068 3.011 442 HA LYS 56 HA LYS 56 5.461 -3.907 5.457 443 HB2 LYS 56 HB2 LYS 56 6.268 -5.238 3.230 444 HB3 LYS 56 HB1 LYS 56 7.634 -5.546 4.306 445 HG2 LYS 56 HG2 LYS 56 6.018 -6.270 6.069 446 HG3 LYS 56 HG1 LYS 56 4.700 -6.060 4.901 447 HD2 LYS 56 HD2 LYS 56 7.092 -7.867 4.410 448 HD3 LYS 56 HD1 LYS 56 5.578 -8.437 5.112 449 HE2 LYS 56 HE2 LYS 56 4.364 -7.598 3.110 450 HE3 LYS 56 HE1 LYS 56 5.905 -7.123 2.399 451 HZ1 LYS 56 HZ1 LYS 56 5.130 -9.314 1.642 452 HZ2 LYS 56 HZ2 LYS 56 5.220 -9.886 3.240 453 HZ3 LYS 56 HZ3 LYS 56 6.630 -9.392 2.431 454 H GLU 57 HN GLU 57 8.297 -2.275 4.434 455 HA GLU 57 HA GLU 57 9.704 -2.869 6.886 456 HB2 GLU 57 HB2 GLU 57 11.549 -2.354 5.709 457 HB3 GLU 57 HB1 GLU 57 10.545 -2.102 4.318 458 HG2 GLU 57 HG2 GLU 57 10.173 0.250 4.976 459 HG3 GLU 57 HG1 GLU 57 11.213 -0.004 6.377 460 H TYR 58 HN TYR 58 7.503 -0.679 5.371 461 HA TYR 58 HA TYR 58 7.975 1.654 6.846 462 HB2 TYR 58 HB2 TYR 58 6.328 1.731 4.983 463 HB3 TYR 58 HB1 TYR 58 5.284 0.640 5.886 464 HD1 TYR 58 HD1 TYR 58 6.912 3.979 5.991 465 HD2 TYR 58 HD2 TYR 58 3.853 1.431 7.605 466 HE1 TYR 58 HE1 TYR 58 5.957 5.906 7.225 467 HE2 TYR 58 HE2 TYR 58 2.898 3.359 8.838 468 HH TYR 58 HH TYR 58 3.029 6.100 8.351 469 H HIS 59 HN HIS 59 6.023 -1.248 7.292 470 HA HIS 59 HA HIS 59 5.172 -0.614 9.935 471 HB2 HIS 59 HB2 HIS 59 3.622 -1.980 8.968 472 HB3 HIS 59 HB1 HIS 59 4.821 -2.784 7.958 473 HD1 HIS 59 HD1 HIS 59 5.937 -4.890 8.867 474 HD2 HIS 59 HD2 HIS 59 3.392 -3.087 11.620 475 HE1 HIS 59 HE1 HIS 59 5.678 -6.528 10.779 476 HE2 HIS 59 HE2 HIS 59 4.134 -5.439 12.468 477 H ASP 60 HN ASP 60 7.270 -3.229 8.661 478 HA ASP 60 HA ASP 60 8.077 -4.293 11.002 479 HB2 ASP 60 HB2 ASP 60 8.649 -5.092 8.668 480 HB3 ASP 60 HB1 ASP 60 9.929 -3.883 8.655 481 H LYS 61 HN LYS 61 9.457 -1.534 9.252 482 HA LYS 61 HA LYS 61 11.281 -1.093 11.429 483 HB2 LYS 61 HB2 LYS 61 10.656 0.831 9.202 484 HB3 LYS 61 HB1 LYS 61 12.092 0.811 10.219 485 HG2 LYS 61 HG2 LYS 61 11.281 -1.332 8.287 486 HG3 LYS 61 HG1 LYS 61 12.554 -0.156 8.010 487 HD2 LYS 61 HD2 LYS 61 13.756 -1.031 10.011 488 HD3 LYS 61 HD1 LYS 61 12.505 -2.262 10.199 489 HE2 LYS 61 HE2 LYS 61 14.432 -3.184 8.987 490 HE3 LYS 61 HE1 LYS 61 13.017 -3.120 7.938 491 HZ1 LYS 61 HZ1 LYS 61 15.093 -2.275 6.908 492 HZ2 LYS 61 HZ2 LYS 61 15.094 -1.005 8.036 493 HZ3 LYS 61 HZ3 LYS 61 13.826 -1.150 6.915 494 H ASN 62 HN ASN 62 8.124 -0.139 10.468 495 HA ASN 62 HA ASN 62 7.763 1.286 12.909 496 HB2 ASN 62 HB2 ASN 62 8.742 3.077 11.851 497 HB3 ASN 62 HB1 ASN 62 8.044 2.647 10.285 498 HD21 ASN 62 HD21 ASN 62 6.111 3.731 9.742 499 HD22 ASN 62 HD22 ASN 62 5.183 4.654 10.845 500 H GLY 63 HN GLY 63 6.150 -0.335 13.257 501 HA2 GLY 63 HA2 GLY 63 3.515 0.474 12.689 502 HA3 GLY 63 HA1 GLY 63 3.941 -0.777 11.521 503 H GLY 64 HN GLY 64 2.028 -1.785 12.718 504 HA2 GLY 64 HA2 GLY 64 2.786 -3.027 15.277 505 HA3 GLY 64 HA1 GLY 64 1.160 -2.952 14.610 506 H ALA 65 HN ALA 65 0.688 -4.336 12.700 507 HA ALA 65 HA ALA 65 2.545 -6.510 12.136 508 HB1 ALA 65 HB1 ALA 65 -0.092 -7.002 13.529 509 HB2 ALA 65 HB2 ALA 65 1.518 -7.344 14.164 510 HB3 ALA 65 HB3 ALA 65 0.896 -8.264 12.792 511 H ASN 66 HN ASN 66 -0.814 -7.286 11.729 512 HA ASN 66 HA ASN 66 -0.586 -7.272 8.840 513 HB2 ASN 66 HB2 ASN 66 -2.948 -7.986 8.895 514 HB3 ASN 66 HB1 ASN 66 -1.944 -8.967 9.985 515 HD21 ASN 66 HD21 ASN 66 -4.850 -7.320 9.836 516 HD22 ASN 66 HD22 ASN 66 -5.077 -7.033 11.500 517 H ARG 67 HN ARG 67 -2.707 -6.414 7.773 518 HA ARG 67 HA ARG 67 -4.023 -4.677 7.119 519 HB2 ARG 67 HB2 ARG 67 -4.864 -4.001 9.165 520 HB3 ARG 67 HB1 ARG 67 -3.296 -3.535 9.763 521 HG2 ARG 67 HG2 ARG 67 -3.843 -1.419 9.215 522 HG3 ARG 67 HG1 ARG 67 -3.565 -1.889 7.573 523 HD2 ARG 67 HD2 ARG 67 -6.114 -1.444 8.967 524 HD3 ARG 67 HD1 ARG 67 -5.694 -1.156 7.277 525 HE ARG 67 HE ARG 67 -5.736 -3.793 7.254 526 HH11 ARG 67 HH11 ARG 67 -7.920 -1.605 8.894 527 HH12 ARG 67 HH12 ARG 67 -9.245 -2.711 8.858 528 HH21 ARG 67 HH21 ARG 67 -7.484 -5.235 7.286 529 HH22 ARG 67 HH22 ARG 67 -9.003 -4.749 7.959 530 H LYS 68 HN LYS 68 -1.254 -3.374 8.821 531 HA LYS 68 HA LYS 68 0.216 -1.732 8.241 532 HB2 LYS 68 HB2 LYS 68 1.190 -2.285 5.798 533 HB3 LYS 68 HB1 LYS 68 1.663 -3.145 7.248 534 HG2 LYS 68 HG2 LYS 68 -0.677 -4.117 5.691 535 HG3 LYS 68 HG1 LYS 68 0.895 -4.423 5.120 536 HD2 LYS 68 HD2 LYS 68 0.141 -5.060 7.941 537 HD3 LYS 68 HD1 LYS 68 -0.089 -6.219 6.637 538 HE2 LYS 68 HE2 LYS 68 2.363 -5.911 6.061 539 HE3 LYS 68 HE1 LYS 68 2.524 -5.008 7.564 540 HZ1 LYS 68 HZ1 LYS 68 2.317 -6.856 8.808 541 HZ2 LYS 68 HZ2 LYS 68 2.858 -7.634 7.397 542 HZ3 LYS 68 HZ3 LYS 68 1.200 -7.587 7.763 543 H VAL 69 HN VAL 69 -1.303 -2.403 5.064 544 HA VAL 69 HA VAL 69 -1.724 0.403 4.881 545 HB VAL 69 HB VAL 69 -2.045 0.032 2.492 546 HG11 VAL 69 HG11 VAL 69 0.235 0.357 3.275 547 HG12 VAL 69 HG12 VAL 69 0.224 -0.849 1.988 548 HG13 VAL 69 HG13 VAL 69 0.367 -1.354 3.671 549 HG21 VAL 69 HG21 VAL 69 -2.294 -2.760 3.481 550 HG22 VAL 69 HG22 VAL 69 -1.310 -2.598 2.032 551 HG23 VAL 69 HG23 VAL 69 -2.968 -2.012 2.037 552 H ASN 70 HN ASN 70 -3.840 0.469 3.087 553 HA ASN 70 HA ASN 70 -6.143 0.283 3.025 554 HB2 ASN 70 HB2 ASN 70 -4.959 -2.254 3.656 555 HB3 ASN 70 HB1 ASN 70 -6.592 -2.165 4.296 556 HD21 ASN 70 HD21 ASN 70 -4.693 -2.721 1.530 557 HD22 ASN 70 HD22 ASN 70 -5.927 -2.672 0.398 558 H ASP 71 HN ASP 71 -7.970 -0.974 4.765 559 HA ASP 71 HA ASP 71 -7.590 -0.313 7.500 560 HB2 ASP 71 HB2 ASP 71 -7.445 1.998 6.623 561 HB3 ASP 71 HB1 ASP 71 -9.046 1.806 5.908 Start of MODEL 6 1 H1 ASN 1 HT1 ASN 1 29.525 -4.710 7.483 2 H2 ASN 1 HT2 ASN 1 28.930 -3.148 7.786 3 H3 ASN 1 HT3 ASN 1 30.014 -3.413 6.506 4 HA ASN 1 HA ASN 1 28.081 -3.342 5.334 5 HB2 ASN 1 HB2 ASN 1 28.195 -6.209 6.325 6 HB3 ASN 1 HB1 ASN 1 27.382 -5.661 4.860 7 HD21 ASN 1 HD21 ASN 1 29.932 -7.415 5.447 8 HD22 ASN 1 HD22 ASN 1 31.081 -6.772 4.371 9 H LEU 2 HN LEU 2 25.921 -2.924 5.424 10 HA LEU 2 HA LEU 2 23.827 -2.588 6.307 11 HB2 LEU 2 HB2 LEU 2 24.628 -5.265 7.251 12 HB3 LEU 2 HB1 LEU 2 23.356 -4.492 8.200 13 HG LEU 2 HG LEU 2 22.076 -4.066 6.124 14 HD11 LEU 2 HD11 LEU 2 23.887 -3.907 4.522 15 HD12 LEU 2 HD12 LEU 2 22.854 -5.253 4.043 16 HD13 LEU 2 HD13 LEU 2 24.388 -5.565 4.857 17 HD21 LEU 2 HD21 LEU 2 21.469 -6.419 5.670 18 HD22 LEU 2 HD22 LEU 2 21.686 -6.147 7.399 19 HD23 LEU 2 HD23 LEU 2 22.947 -6.955 6.468 20 H THR 3 HN THR 3 24.465 -0.621 7.312 21 HA THR 3 HA THR 3 24.659 -0.828 10.255 22 HB THR 3 HB THR 3 26.151 1.120 10.257 23 HG1 THR 3 HG1 THR 3 26.812 2.019 8.370 24 HG21 THR 3 HG21 THR 3 27.030 -1.251 10.059 25 HG22 THR 3 HG22 THR 3 28.128 0.002 9.482 26 HG23 THR 3 HG23 THR 3 27.204 -0.959 8.328 27 H LYS 4 HN LYS 4 23.880 1.091 11.400 28 HA LYS 4 HA LYS 4 21.883 2.629 9.855 29 HB2 LYS 4 HB2 LYS 4 21.539 1.417 12.610 30 HB3 LYS 4 HB1 LYS 4 20.391 2.509 11.836 31 HG2 LYS 4 HG2 LYS 4 20.054 0.930 10.008 32 HG3 LYS 4 HG1 LYS 4 21.290 -0.140 10.669 33 HD2 LYS 4 HD2 LYS 4 19.141 -1.018 11.334 34 HD3 LYS 4 HD1 LYS 4 19.896 -0.319 12.765 35 HE2 LYS 4 HE2 LYS 4 18.583 1.728 12.501 36 HE3 LYS 4 HE1 LYS 4 17.874 1.106 11.011 37 HZ1 LYS 4 HZ1 LYS 4 17.606 -0.161 13.682 38 HZ2 LYS 4 HZ2 LYS 4 16.873 -0.687 12.241 39 HZ3 LYS 4 HZ3 LYS 4 16.421 0.797 12.937 40 H GLN 5 HN GLN 5 21.438 4.742 10.619 41 HA GLN 5 HA GLN 5 23.427 5.793 12.539 42 HB2 GLN 5 HB2 GLN 5 22.517 6.984 9.914 43 HB3 GLN 5 HB1 GLN 5 23.457 7.863 11.120 44 HG2 GLN 5 HG2 GLN 5 25.278 6.287 10.953 45 HG3 GLN 5 HG1 GLN 5 24.325 5.223 9.921 46 HE21 GLN 5 HE21 GLN 5 26.768 6.084 8.931 47 HE22 GLN 5 HE22 GLN 5 26.521 7.240 7.689 48 H LYS 6 HN LYS 6 22.772 7.495 13.856 49 HA LYS 6 HA LYS 6 19.985 7.561 14.515 50 HB2 LYS 6 HB2 LYS 6 22.328 9.200 15.497 51 HB3 LYS 6 HB1 LYS 6 20.700 9.299 16.169 52 HG2 LYS 6 HG2 LYS 6 20.774 6.890 16.708 53 HG3 LYS 6 HG1 LYS 6 22.406 6.795 16.043 54 HD2 LYS 6 HD2 LYS 6 23.189 8.430 17.716 55 HD3 LYS 6 HD1 LYS 6 21.558 8.529 18.382 56 HE2 LYS 6 HE2 LYS 6 21.629 6.127 18.930 57 HE3 LYS 6 HE1 LYS 6 23.257 6.020 18.259 58 HZ1 LYS 6 HZ1 LYS 6 23.724 6.358 20.449 59 HZ2 LYS 6 HZ2 LYS 6 22.339 7.301 20.731 60 HZ3 LYS 6 HZ3 LYS 6 23.677 7.969 19.925 61 H GLU 7 HN GLU 7 18.572 9.353 14.446 62 HA GLU 7 HA GLU 7 17.519 11.110 13.416 63 HB2 GLU 7 HB2 GLU 7 20.380 12.085 13.263 64 HB3 GLU 7 HB1 GLU 7 18.985 13.066 12.809 65 HG2 GLU 7 HG2 GLU 7 18.057 12.862 15.055 66 HG3 GLU 7 HG1 GLU 7 19.361 11.774 15.526 67 H ALA 8 HN ALA 8 17.908 8.888 11.848 68 HA ALA 8 HA ALA 8 19.105 9.338 9.338 69 HB1 ALA 8 HB1 ALA 8 17.037 7.463 10.403 70 HB2 ALA 8 HB2 ALA 8 18.608 7.109 9.684 71 HB3 ALA 8 HB3 ALA 8 17.254 7.579 8.657 72 H VAL 9 HN VAL 9 15.859 10.019 10.561 73 HA VAL 9 HA VAL 9 14.112 11.247 9.730 74 HB VAL 9 HB VAL 9 15.742 12.678 7.707 75 HG11 VAL 9 HG11 VAL 9 14.164 13.741 10.061 76 HG12 VAL 9 HG12 VAL 9 13.384 13.230 8.565 77 HG13 VAL 9 HG13 VAL 9 14.541 14.560 8.546 78 HG21 VAL 9 HG21 VAL 9 16.731 14.046 9.720 79 HG22 VAL 9 HG22 VAL 9 17.536 12.559 9.228 80 HG23 VAL 9 HG23 VAL 9 16.475 12.558 10.636 81 H ASN 10 HN ASN 10 13.850 12.267 6.973 82 HA ASN 10 HA ASN 10 14.058 9.918 5.282 83 HB2 ASN 10 HB2 ASN 10 11.620 9.842 4.836 84 HB3 ASN 10 HB1 ASN 10 12.018 9.414 6.500 85 HD21 ASN 10 HD21 ASN 10 10.370 10.258 7.788 86 HD22 ASN 10 HD22 ASN 10 9.771 11.859 7.665 87 H ASP 11 HN ASP 11 12.746 10.414 3.166 88 HA ASP 11 HA ASP 11 12.619 13.202 2.414 89 HB2 ASP 11 HB2 ASP 11 15.103 12.357 2.277 90 HB3 ASP 11 HB1 ASP 11 14.544 11.550 0.815 91 H LYS 12 HN LYS 12 12.174 13.305 -0.075 92 HA LYS 12 HA LYS 12 9.859 11.847 -0.611 93 HB2 LYS 12 HB2 LYS 12 9.984 12.675 -2.870 94 HB3 LYS 12 HB1 LYS 12 10.519 13.952 -1.773 95 HG2 LYS 12 HG2 LYS 12 12.878 13.326 -2.199 96 HG3 LYS 12 HG1 LYS 12 12.335 12.087 -3.331 97 HD2 LYS 12 HD2 LYS 12 11.279 13.801 -4.734 98 HD3 LYS 12 HD1 LYS 12 11.773 15.053 -3.594 99 HE2 LYS 12 HE2 LYS 12 13.352 14.959 -5.461 100 HE3 LYS 12 HE1 LYS 12 14.148 14.436 -3.980 101 HZ1 LYS 12 HZ1 LYS 12 14.587 12.978 -5.904 102 HZ2 LYS 12 HZ2 LYS 12 12.933 12.598 -5.970 103 HZ3 LYS 12 HZ3 LYS 12 13.855 12.164 -4.611 104 H GLY 13 HN GLY 13 9.807 10.612 -2.920 105 HA2 GLY 13 HA2 GLY 13 10.625 8.810 -4.208 106 HA3 GLY 13 HA1 GLY 13 11.963 8.643 -3.083 107 H LYS 14 HN LYS 14 11.839 7.237 -1.416 108 HA LYS 14 HA LYS 14 9.932 5.213 -1.452 109 HB2 LYS 14 HB2 LYS 14 10.768 4.566 0.730 110 HB3 LYS 14 HB1 LYS 14 12.132 5.107 -0.249 111 HG2 LYS 14 HG2 LYS 14 11.932 7.367 0.805 112 HG3 LYS 14 HG1 LYS 14 10.668 6.727 1.856 113 HD2 LYS 14 HD2 LYS 14 13.451 5.543 1.683 114 HD3 LYS 14 HD1 LYS 14 12.978 6.741 2.888 115 HE2 LYS 14 HE2 LYS 14 11.165 5.218 3.652 116 HE3 LYS 14 HE1 LYS 14 11.722 4.008 2.497 117 HZ1 LYS 14 HZ1 LYS 14 13.571 5.181 4.474 118 HZ2 LYS 14 HZ2 LYS 14 13.700 3.708 3.635 119 HZ3 LYS 14 HZ3 LYS 14 12.569 3.878 4.891 120 H ALA 15 HN ALA 15 10.017 8.331 0.137 121 HA ALA 15 HA ALA 15 7.813 8.025 1.849 122 HB1 ALA 15 HB1 ALA 15 9.298 10.290 0.631 123 HB2 ALA 15 HB2 ALA 15 8.929 9.965 2.328 124 HB3 ALA 15 HB3 ALA 15 7.691 10.648 1.271 125 H ALA 16 HN ALA 16 7.946 9.231 -1.532 126 HA ALA 16 HA ALA 16 5.122 9.501 -1.737 127 HB1 ALA 16 HB1 ALA 16 7.355 9.682 -3.762 128 HB2 ALA 16 HB2 ALA 16 6.500 11.024 -3.001 129 HB3 ALA 16 HB3 ALA 16 5.657 9.970 -4.138 130 H VAL 17 HN VAL 17 7.154 6.937 -1.648 131 HA VAL 17 HA VAL 17 5.763 5.321 -3.648 132 HB VAL 17 HB VAL 17 8.034 4.645 -1.776 133 HG11 VAL 17 HG11 VAL 17 6.484 3.040 -3.796 134 HG12 VAL 17 HG12 VAL 17 6.747 2.684 -2.088 135 HG13 VAL 17 HG13 VAL 17 8.089 2.568 -3.229 136 HG21 VAL 17 HG21 VAL 17 9.472 5.095 -3.502 137 HG22 VAL 17 HG22 VAL 17 8.162 6.095 -4.121 138 HG23 VAL 17 HG23 VAL 17 8.374 4.453 -4.722 139 H VAL 18 HN VAL 18 6.200 5.942 -0.280 140 HA VAL 18 HA VAL 18 4.625 3.824 0.752 141 HB VAL 18 HB VAL 18 5.406 6.519 1.861 142 HG11 VAL 18 HG11 VAL 18 4.630 5.333 4.053 143 HG12 VAL 18 HG12 VAL 18 3.687 4.308 2.970 144 HG13 VAL 18 HG13 VAL 18 3.415 6.047 2.996 145 HG21 VAL 18 HG21 VAL 18 7.072 4.480 1.491 146 HG22 VAL 18 HG22 VAL 18 6.272 3.824 2.917 147 HG23 VAL 18 HG23 VAL 18 7.108 5.373 3.009 148 H LYS 19 HN LYS 19 4.128 7.103 -0.240 149 HA LYS 19 HA LYS 19 1.472 7.415 0.586 150 HB2 LYS 19 HB2 LYS 19 3.181 8.788 -1.452 151 HB3 LYS 19 HB1 LYS 19 1.465 9.162 -1.370 152 HG2 LYS 19 HG2 LYS 19 3.286 10.510 0.081 153 HG3 LYS 19 HG1 LYS 19 1.651 10.235 0.663 154 HD2 LYS 19 HD2 LYS 19 2.328 8.567 2.166 155 HD3 LYS 19 HD1 LYS 19 3.817 8.230 1.292 156 HE2 LYS 19 HE2 LYS 19 4.289 9.470 3.364 157 HE3 LYS 19 HE1 LYS 19 4.705 10.440 1.951 158 HZ1 LYS 19 HZ1 LYS 19 2.695 11.660 2.158 159 HZ2 LYS 19 HZ2 LYS 19 3.421 11.639 3.693 160 HZ3 LYS 19 HZ3 LYS 19 2.101 10.623 3.361 161 H VAL 20 HN VAL 20 2.745 6.205 -2.546 162 HA VAL 20 HA VAL 20 0.124 6.022 -3.643 163 HB VAL 20 HB VAL 20 2.145 6.087 -5.081 164 HG11 VAL 20 HG11 VAL 20 3.314 3.929 -5.433 165 HG12 VAL 20 HG12 VAL 20 2.436 3.266 -4.062 166 HG13 VAL 20 HG13 VAL 20 3.576 4.595 -3.827 167 HG21 VAL 20 HG21 VAL 20 0.485 3.582 -5.461 168 HG22 VAL 20 HG22 VAL 20 1.262 4.548 -6.718 169 HG23 VAL 20 HG23 VAL 20 -0.105 5.208 -5.819 170 H VAL 21 HN VAL 21 2.143 3.768 -1.808 171 HA VAL 21 HA VAL 21 0.330 1.582 -2.183 172 HB VAL 21 HB VAL 21 2.548 0.941 -1.640 173 HG11 VAL 21 HG11 VAL 21 3.719 1.643 0.320 174 HG12 VAL 21 HG12 VAL 21 2.280 2.423 0.978 175 HG13 VAL 21 HG13 VAL 21 3.081 3.088 -0.432 176 HG21 VAL 21 HG21 VAL 21 2.102 -0.620 0.063 177 HG22 VAL 21 HG22 VAL 21 0.479 -0.199 -0.475 178 HG23 VAL 21 HG23 VAL 21 1.128 0.517 0.994 179 H GLU 22 HN GLU 22 0.899 3.877 0.533 180 HA GLU 22 HA GLU 22 -1.177 2.847 2.183 181 HB2 GLU 22 HB2 GLU 22 -0.148 5.701 1.807 182 HB3 GLU 22 HB1 GLU 22 -1.311 5.227 3.048 183 HG2 GLU 22 HG2 GLU 22 0.269 3.671 4.007 184 HG3 GLU 22 HG1 GLU 22 1.415 3.981 2.704 185 H SER 23 HN SER 23 -1.082 4.933 -0.673 186 HA SER 23 HA SER 23 -3.861 5.502 -0.546 187 HB2 SER 23 HB2 SER 23 -1.786 5.689 -2.730 188 HB3 SER 23 HB1 SER 23 -3.490 5.964 -3.075 189 HG SER 23 HG SER 23 -3.186 7.887 -2.307 190 H GLN 24 HN GLN 24 -3.049 4.033 -3.612 191 HA GLN 24 HA GLN 24 -4.659 2.307 -4.277 192 HB2 GLN 24 HB2 GLN 24 -2.154 2.272 -4.850 193 HB3 GLN 24 HB1 GLN 24 -2.076 0.941 -3.702 194 HG2 GLN 24 HG2 GLN 24 -4.215 0.876 -5.795 195 HG3 GLN 24 HG1 GLN 24 -2.564 0.506 -6.284 196 HE21 GLN 24 HE21 GLN 24 -4.272 -1.607 -6.530 197 HE22 GLN 24 HE22 GLN 24 -4.009 -2.756 -5.278 198 H ALA 25 HN ALA 25 -2.560 0.975 -1.856 199 HA ALA 25 HA ALA 25 -4.115 -1.289 -1.265 200 HB1 ALA 25 HB1 ALA 25 -1.881 -1.173 -0.520 201 HB2 ALA 25 HB2 ALA 25 -2.910 -1.450 0.862 202 HB3 ALA 25 HB3 ALA 25 -2.232 0.139 0.583 203 H GLU 26 HN GLU 26 -4.119 1.834 0.488 204 HA GLU 26 HA GLU 26 -6.039 1.234 2.374 205 HB2 GLU 26 HB2 GLU 26 -5.220 3.417 2.573 206 HB3 GLU 26 HB1 GLU 26 -5.513 3.769 0.866 207 HG2 GLU 26 HG2 GLU 26 -7.889 3.852 1.180 208 HG3 GLU 26 HG1 GLU 26 -7.762 3.163 2.793 209 H LEU 27 HN LEU 27 -6.487 2.076 -1.038 210 HA LEU 27 HA LEU 27 -9.300 2.013 -0.706 211 HB2 LEU 27 HB2 LEU 27 -7.851 1.753 -3.281 212 HB3 LEU 27 HB1 LEU 27 -9.572 2.071 -2.995 213 HG LEU 27 HG LEU 27 -7.318 3.897 -2.089 214 HD11 LEU 27 HD11 LEU 27 -7.533 3.823 -4.558 215 HD12 LEU 27 HD12 LEU 27 -8.036 5.383 -3.906 216 HD13 LEU 27 HD13 LEU 27 -9.248 4.204 -4.408 217 HD21 LEU 27 HD21 LEU 27 -9.266 5.502 -1.829 218 HD22 LEU 27 HD22 LEU 27 -9.246 4.164 -0.685 219 HD23 LEU 27 HD23 LEU 27 -10.336 4.122 -2.071 220 H TYR 28 HN TYR 28 -7.042 -0.373 -0.893 221 HA TYR 28 HA TYR 28 -8.488 -2.285 -2.277 222 HB2 TYR 28 HB2 TYR 28 -6.189 -2.632 -1.356 223 HB3 TYR 28 HB1 TYR 28 -6.924 -2.650 0.237 224 HD1 TYR 28 HD1 TYR 28 -7.877 -4.157 -3.050 225 HD2 TYR 28 HD2 TYR 28 -6.972 -4.832 1.093 226 HE1 TYR 28 HE1 TYR 28 -8.329 -6.576 -3.348 227 HE2 TYR 28 HE2 TYR 28 -7.434 -7.252 0.796 228 HH TYR 28 HH TYR 28 -7.350 -8.894 -1.294 229 H SER 29 HN SER 29 -8.388 -1.169 1.048 230 HA SER 29 HA SER 29 -10.768 -2.472 1.946 231 HB2 SER 29 HB2 SER 29 -8.990 -0.470 3.235 232 HB3 SER 29 HB1 SER 29 -10.481 -1.060 3.969 233 HG SER 29 HG SER 29 -8.531 -2.822 2.926 234 H LEU 30 HN LEU 30 -10.096 0.681 0.496 235 HA LEU 30 HA LEU 30 -12.401 1.933 1.548 236 HB2 LEU 30 HB2 LEU 30 -10.789 3.297 0.364 237 HB3 LEU 30 HB1 LEU 30 -11.098 2.405 -1.123 238 HG LEU 30 HG LEU 30 -13.526 3.465 0.165 239 HD11 LEU 30 HD11 LEU 30 -13.169 5.770 -0.267 240 HD12 LEU 30 HD12 LEU 30 -11.705 5.458 -1.199 241 HD13 LEU 30 HD13 LEU 30 -11.695 5.251 0.552 242 HD21 LEU 30 HD21 LEU 30 -12.439 3.842 -2.641 243 HD22 LEU 30 HD22 LEU 30 -14.120 3.949 -2.118 244 HD23 LEU 30 HD23 LEU 30 -13.298 2.389 -2.128 245 H GLU 31 HN GLU 31 -11.794 -0.043 -1.324 246 HA GLU 31 HA GLU 31 -14.587 -0.070 -1.889 247 HB2 GLU 31 HB2 GLU 31 -13.956 -1.820 -3.630 248 HB3 GLU 31 HB1 GLU 31 -13.266 -0.215 -3.836 249 HG2 GLU 31 HG2 GLU 31 -11.238 -1.133 -3.907 250 HG3 GLU 31 HG1 GLU 31 -11.455 -1.625 -2.249 251 H LYS 32 HN LYS 32 -12.375 -2.900 -1.326 252 HA LYS 32 HA LYS 32 -13.651 -5.010 -0.433 253 HB2 LYS 32 HB2 LYS 32 -11.489 -3.488 0.897 254 HB3 LYS 32 HB1 LYS 32 -12.056 -4.956 1.618 255 HG2 LYS 32 HG2 LYS 32 -11.482 -5.155 -1.252 256 HG3 LYS 32 HG1 LYS 32 -10.067 -4.749 -0.270 257 HD2 LYS 32 HD2 LYS 32 -11.957 -7.072 0.307 258 HD3 LYS 32 HD1 LYS 32 -10.427 -7.233 -0.555 259 HE2 LYS 32 HE2 LYS 32 -9.460 -5.967 1.574 260 HE3 LYS 32 HE1 LYS 32 -10.913 -6.610 2.332 261 HZ1 LYS 32 HZ1 LYS 32 -10.238 -8.754 2.070 262 HZ2 LYS 32 HZ2 LYS 32 -8.726 -8.001 2.264 263 HZ3 LYS 32 HZ3 LYS 32 -9.279 -8.418 0.712 264 H ASN 33 HN ASN 33 -13.136 -2.207 1.549 265 HA ASN 33 HA ASN 33 -14.372 -1.130 3.178 266 HB2 ASN 33 HB2 ASN 33 -16.351 -2.941 2.230 267 HB3 ASN 33 HB1 ASN 33 -16.306 -3.081 3.987 268 HD21 ASN 33 HD21 ASN 33 -15.959 -0.370 1.614 269 HD22 ASN 33 HD22 ASN 33 -17.065 0.662 2.429 270 H GLU 34 HN GLU 34 -13.807 -4.573 3.481 271 HA GLU 34 HA GLU 34 -13.705 -4.988 6.143 272 HB2 GLU 34 HB2 GLU 34 -12.013 -6.201 3.968 273 HB3 GLU 34 HB1 GLU 34 -11.974 -6.767 5.634 274 HG2 GLU 34 HG2 GLU 34 -14.328 -7.311 5.569 275 HG3 GLU 34 HG1 GLU 34 -14.503 -6.565 3.982 276 H ASP 35 HN ASP 35 -10.417 -5.316 4.927 277 HA ASP 35 HA ASP 35 -9.532 -2.843 5.845 278 HB2 ASP 35 HB2 ASP 35 -8.430 -3.950 7.995 279 HB3 ASP 35 HB1 ASP 35 -10.001 -3.184 8.036 280 H ALA 36 HN ALA 36 -8.324 -6.169 6.247 281 HA ALA 36 HA ALA 36 -5.996 -6.835 6.145 282 HB1 ALA 36 HB1 ALA 36 -6.497 -6.605 3.237 283 HB2 ALA 36 HB2 ALA 36 -7.716 -7.472 4.185 284 HB3 ALA 36 HB3 ALA 36 -6.037 -8.018 4.195 285 H SER 37 HN SER 37 -4.454 -6.641 3.741 286 HA SER 37 HA SER 37 -3.644 -3.980 3.287 287 HB2 SER 37 HB2 SER 37 -1.607 -3.941 4.553 288 HB3 SER 37 HB1 SER 37 -2.967 -4.186 5.648 289 HG SER 37 HG SER 37 -2.486 -6.420 5.600 290 H LEU 38 HN LEU 38 -1.339 -3.937 2.612 291 HA LEU 38 HA LEU 38 -0.660 -4.674 0.270 292 HB2 LEU 38 HB2 LEU 38 1.379 -5.625 2.228 293 HB3 LEU 38 HB1 LEU 38 1.593 -4.697 0.746 294 HG LEU 38 HG LEU 38 0.400 -3.669 3.336 295 HD11 LEU 38 HD11 LEU 38 2.948 -2.859 1.932 296 HD12 LEU 38 HD12 LEU 38 2.903 -4.095 3.180 297 HD13 LEU 38 HD13 LEU 38 2.436 -2.453 3.565 298 HD21 LEU 38 HD21 LEU 38 -0.640 -2.630 1.359 299 HD22 LEU 38 HD22 LEU 38 0.955 -2.312 0.686 300 HD23 LEU 38 HD23 LEU 38 0.444 -1.485 2.149 301 H ARG 39 HN ARG 39 -0.070 -7.121 2.779 302 HA ARG 39 HA ARG 39 0.966 -9.098 1.359 303 HB2 ARG 39 HB2 ARG 39 -1.235 -9.820 3.206 304 HB3 ARG 39 HB1 ARG 39 0.310 -10.622 2.970 305 HG2 ARG 39 HG2 ARG 39 1.193 -8.201 3.775 306 HG3 ARG 39 HG1 ARG 39 -0.349 -8.233 4.625 307 HD2 ARG 39 HD2 ARG 39 1.661 -10.487 4.745 308 HD3 ARG 39 HD1 ARG 39 1.628 -9.161 5.907 309 HE ARG 39 HE ARG 39 -0.959 -10.253 5.760 310 HH11 ARG 39 HH11 ARG 39 2.257 -11.167 6.739 311 HH12 ARG 39 HH12 ARG 39 1.707 -12.282 7.942 312 HH21 ARG 39 HH21 ARG 39 -1.657 -11.714 7.341 313 HH22 ARG 39 HH22 ARG 39 -0.498 -12.590 8.283 314 H LYS 40 HN LYS 40 -2.420 -8.351 1.439 315 HA LYS 40 HA LYS 40 -2.913 -10.435 -0.501 316 HB2 LYS 40 HB2 LYS 40 -4.430 -8.859 1.378 317 HB3 LYS 40 HB1 LYS 40 -5.255 -9.403 -0.094 318 HG2 LYS 40 HG2 LYS 40 -5.388 -11.067 1.807 319 HG3 LYS 40 HG1 LYS 40 -4.642 -11.710 0.342 320 HD2 LYS 40 HD2 LYS 40 -2.398 -11.362 1.250 321 HD3 LYS 40 HD1 LYS 40 -3.072 -10.513 2.634 322 HE2 LYS 40 HE2 LYS 40 -2.509 -12.823 3.260 323 HE3 LYS 40 HE1 LYS 40 -4.253 -12.571 3.346 324 HZ1 LYS 40 HZ1 LYS 40 -3.289 -14.631 2.123 325 HZ2 LYS 40 HZ2 LYS 40 -3.064 -13.539 0.841 326 HZ3 LYS 40 HZ3 LYS 40 -4.619 -13.806 1.472 327 H LEU 41 HN LEU 41 -3.544 -6.888 -0.325 328 HA LEU 41 HA LEU 41 -4.623 -6.782 -2.937 329 HB2 LEU 41 HB2 LEU 41 -3.997 -4.346 -2.829 330 HB3 LEU 41 HB1 LEU 41 -4.982 -4.917 -1.488 331 HG LEU 41 HG LEU 41 -2.373 -5.370 -0.629 332 HD11 LEU 41 HD11 LEU 41 -2.618 -2.722 -2.070 333 HD12 LEU 41 HD12 LEU 41 -1.487 -4.018 -2.441 334 HD13 LEU 41 HD13 LEU 41 -1.339 -3.128 -0.931 335 HD21 LEU 41 HD21 LEU 41 -2.860 -3.481 0.869 336 HD22 LEU 41 HD22 LEU 41 -4.230 -4.585 0.741 337 HD23 LEU 41 HD23 LEU 41 -4.232 -3.053 -0.141 338 H GLN 42 HN GLN 42 -1.412 -6.341 -1.641 339 HA GLN 42 HA GLN 42 -0.192 -5.941 -4.145 340 HB2 GLN 42 HB2 GLN 42 0.849 -5.017 -2.268 341 HB3 GLN 42 HB1 GLN 42 0.738 -6.471 -1.371 342 HG2 GLN 42 HG2 GLN 42 2.179 -7.036 -3.731 343 HG3 GLN 42 HG1 GLN 42 2.796 -5.612 -2.973 344 HE21 GLN 42 HE21 GLN 42 1.214 -8.346 -1.394 345 HE22 GLN 42 HE22 GLN 42 2.523 -8.746 -0.392 346 H ALA 43 HN ALA 43 -0.854 -8.661 -1.936 347 HA ALA 43 HA ALA 43 0.544 -10.752 -2.564 348 HB1 ALA 43 HB1 ALA 43 -2.330 -10.824 -3.352 349 HB2 ALA 43 HB2 ALA 43 -1.761 -10.969 -1.710 350 HB3 ALA 43 HB3 ALA 43 -1.345 -12.194 -2.873 351 H ASP 44 HN ASP 44 -1.920 -9.611 -4.764 352 HA ASP 44 HA ASP 44 -1.252 -11.232 -7.002 353 HB2 ASP 44 HB2 ASP 44 -3.424 -10.064 -6.708 354 HB3 ASP 44 HB1 ASP 44 -2.615 -8.528 -7.006 355 H GLY 45 HN GLY 45 -0.431 -7.866 -6.254 356 HA2 GLY 45 HA2 GLY 45 2.016 -7.451 -6.755 357 HA3 GLY 45 HA1 GLY 45 1.592 -7.982 -8.356 358 H ARG 46 HN ARG 46 -0.943 -6.245 -6.950 359 HA ARG 46 HA ARG 46 -1.148 -4.139 -8.732 360 HB2 ARG 46 HB2 ARG 46 -1.871 -4.478 -5.836 361 HB3 ARG 46 HB1 ARG 46 -2.027 -2.878 -6.543 362 HG2 ARG 46 HG2 ARG 46 -4.141 -3.955 -6.842 363 HG3 ARG 46 HG1 ARG 46 -3.345 -4.002 -8.422 364 HD2 ARG 46 HD2 ARG 46 -2.923 -6.247 -8.309 365 HD3 ARG 46 HD1 ARG 46 -2.738 -6.213 -6.547 366 HE ARG 46 HE ARG 46 -5.040 -6.601 -6.355 367 HH11 ARG 46 HH11 ARG 46 -4.209 -5.775 -9.639 368 HH12 ARG 46 HH12 ARG 46 -5.762 -6.203 -10.269 369 HH21 ARG 46 HH21 ARG 46 -7.062 -7.158 -7.205 370 HH22 ARG 46 HH22 ARG 46 -7.369 -6.981 -8.899 371 H ILE 47 HN ILE 47 -0.272 -3.333 -5.561 372 HA ILE 47 HA ILE 47 1.568 -1.297 -6.249 373 HB ILE 47 HB ILE 47 1.858 -0.986 -3.885 374 HG12 ILE 47 HG12 ILE 47 0.133 -3.407 -3.523 375 HG13 ILE 47 HG11 ILE 47 1.869 -3.517 -3.411 376 HG21 ILE 47 HG21 ILE 47 -0.465 -0.619 -3.335 377 HG22 ILE 47 HG22 ILE 47 -0.965 -1.754 -4.588 378 HG23 ILE 47 HG23 ILE 47 -0.195 -0.225 -5.034 379 HD11 ILE 47 HD11 ILE 47 0.060 -1.689 -1.802 380 HD12 ILE 47 HD12 ILE 47 1.818 -1.779 -1.659 381 HD13 ILE 47 HD13 ILE 47 0.827 -3.163 -1.206 382 H THR 48 HN THR 48 2.503 -3.702 -7.365 383 HA THR 48 HA THR 48 4.178 -5.318 -7.198 384 HB THR 48 HB THR 48 4.819 -3.277 -8.467 385 HG1 THR 48 HG1 THR 48 6.268 -4.749 -8.871 386 HG21 THR 48 HG21 THR 48 6.652 -1.901 -7.465 387 HG22 THR 48 HG22 THR 48 6.340 -2.683 -5.918 388 HG23 THR 48 HG23 THR 48 5.094 -1.688 -6.671 389 H GLU 49 HN GLU 49 5.348 -6.529 -5.883 390 HA GLU 49 HA GLU 49 5.092 -6.193 -3.165 391 HB2 GLU 49 HB2 GLU 49 7.012 -7.897 -4.752 392 HB3 GLU 49 HB1 GLU 49 6.876 -7.987 -2.996 393 HG2 GLU 49 HG2 GLU 49 4.540 -8.605 -3.147 394 HG3 GLU 49 HG1 GLU 49 4.538 -8.339 -4.889 395 H GLU 50 HN GLU 50 7.525 -4.814 -5.243 396 HA GLU 50 HA GLU 50 9.563 -4.538 -3.351 397 HB2 GLU 50 HB2 GLU 50 8.721 -2.946 -5.756 398 HB3 GLU 50 HB1 GLU 50 10.194 -2.569 -4.845 399 HG2 GLU 50 HG2 GLU 50 9.536 -5.227 -6.160 400 HG3 GLU 50 HG1 GLU 50 10.687 -4.041 -6.770 401 H GLN 51 HN GLN 51 7.027 -2.118 -4.188 402 HA GLN 51 HA GLN 51 7.864 -0.361 -2.143 403 HB2 GLN 51 HB2 GLN 51 5.779 0.889 -2.594 404 HB3 GLN 51 HB1 GLN 51 6.676 0.557 -4.067 405 HG2 GLN 51 HG2 GLN 51 5.224 -1.199 -4.672 406 HG3 GLN 51 HG1 GLN 51 4.441 -1.217 -3.108 407 HE21 GLN 51 HE21 GLN 51 3.463 -0.594 -5.990 408 HE22 GLN 51 HE22 GLN 51 2.613 0.877 -5.785 409 H ALA 52 HN ALA 52 5.309 -2.809 -2.456 410 HA ALA 52 HA ALA 52 4.077 -2.307 -0.072 411 HB1 ALA 52 HB1 ALA 52 3.072 -3.551 -1.729 412 HB2 ALA 52 HB2 ALA 52 3.309 -4.638 -0.357 413 HB3 ALA 52 HB3 ALA 52 4.371 -4.739 -1.766 414 H LYS 53 HN LYS 53 7.097 -3.684 -0.908 415 HA LYS 53 HA LYS 53 7.361 -5.049 1.592 416 HB2 LYS 53 HB2 LYS 53 8.947 -4.903 -0.830 417 HB3 LYS 53 HB1 LYS 53 9.922 -4.749 0.631 418 HG2 LYS 53 HG2 LYS 53 8.865 -6.718 1.595 419 HG3 LYS 53 HG1 LYS 53 7.844 -6.885 0.147 420 HD2 LYS 53 HD2 LYS 53 10.876 -6.891 0.022 421 HD3 LYS 53 HD1 LYS 53 9.934 -8.369 0.211 422 HE2 LYS 53 HE2 LYS 53 8.689 -7.802 -1.873 423 HE3 LYS 53 HE1 LYS 53 9.728 -6.392 -2.081 424 HZ1 LYS 53 HZ1 LYS 53 10.966 -9.025 -1.700 425 HZ2 LYS 53 HZ2 LYS 53 11.540 -7.674 -2.558 426 HZ3 LYS 53 HZ3 LYS 53 10.313 -8.645 -3.218 427 H ALA 54 HN ALA 54 8.254 -2.096 0.012 428 HA ALA 54 HA ALA 54 9.855 -1.005 2.025 429 HB1 ALA 54 HB1 ALA 54 9.688 0.991 0.840 430 HB2 ALA 54 HB2 ALA 54 8.014 0.690 0.371 431 HB3 ALA 54 HB3 ALA 54 9.323 -0.187 -0.421 432 H TYR 55 HN TYR 55 6.343 -1.238 1.535 433 HA TYR 55 HA TYR 55 5.912 0.486 3.848 434 HB2 TYR 55 HB2 TYR 55 4.446 0.437 1.817 435 HB3 TYR 55 HB1 TYR 55 3.763 -1.055 2.464 436 HD1 TYR 55 HD1 TYR 55 4.787 2.338 3.702 437 HD2 TYR 55 HD2 TYR 55 1.854 -0.783 3.765 438 HE1 TYR 55 HE1 TYR 55 3.416 3.676 5.270 439 HE2 TYR 55 HE2 TYR 55 0.484 0.554 5.353 440 HH TYR 55 HH TYR 55 0.240 3.085 5.888 441 H LYS 56 HN LYS 56 5.865 -2.923 3.098 442 HA LYS 56 HA LYS 56 4.770 -3.854 5.550 443 HB2 LYS 56 HB2 LYS 56 6.277 -4.958 3.311 444 HB3 LYS 56 HB1 LYS 56 6.844 -5.599 4.837 445 HG2 LYS 56 HG2 LYS 56 4.537 -6.246 5.426 446 HG3 LYS 56 HG1 LYS 56 3.967 -5.605 3.887 447 HD2 LYS 56 HD2 LYS 56 5.440 -7.196 2.688 448 HD3 LYS 56 HD1 LYS 56 5.972 -7.853 4.236 449 HE2 LYS 56 HE2 LYS 56 3.652 -8.502 4.762 450 HE3 LYS 56 HE1 LYS 56 3.124 -7.847 3.212 451 HZ1 LYS 56 HZ1 LYS 56 5.275 -9.847 3.285 452 HZ2 LYS 56 HZ2 LYS 56 4.169 -9.501 2.042 453 HZ3 LYS 56 HZ3 LYS 56 3.663 -10.353 3.422 454 H GLU 57 HN GLU 57 7.734 -2.739 4.365 455 HA GLU 57 HA GLU 57 9.331 -3.100 6.714 456 HB2 GLU 57 HB2 GLU 57 10.430 -2.895 4.569 457 HB3 GLU 57 HB1 GLU 57 9.843 -1.259 4.413 458 HG2 GLU 57 HG2 GLU 57 12.131 -1.206 5.209 459 HG3 GLU 57 HG1 GLU 57 11.059 -0.679 6.500 460 H TYR 58 HN TYR 58 7.340 -0.511 5.340 461 HA TYR 58 HA TYR 58 8.103 1.583 6.985 462 HB2 TYR 58 HB2 TYR 58 6.474 1.960 5.158 463 HB3 TYR 58 HB1 TYR 58 5.294 0.992 6.038 464 HD1 TYR 58 HD1 TYR 58 7.381 4.066 6.269 465 HD2 TYR 58 HD2 TYR 58 3.967 1.926 7.758 466 HE1 TYR 58 HE1 TYR 58 6.694 6.065 7.567 467 HE2 TYR 58 HE2 TYR 58 3.279 3.925 9.055 468 HH TYR 58 HH TYR 58 5.339 6.594 9.546 469 H HIS 59 HN HIS 59 5.608 -0.858 7.465 470 HA HIS 59 HA HIS 59 4.984 -0.064 10.153 471 HB2 HIS 59 HB2 HIS 59 3.321 -1.078 8.604 472 HB3 HIS 59 HB1 HIS 59 4.217 -2.593 8.688 473 HD1 HIS 59 HD1 HIS 59 1.885 -3.488 9.783 474 HD2 HIS 59 HD2 HIS 59 4.120 -0.841 12.101 475 HE1 HIS 59 HE1 HIS 59 1.022 -3.706 12.153 476 HE2 HIS 59 HE2 HIS 59 2.376 -2.100 13.579 477 H ASP 60 HN ASP 60 6.653 -2.823 8.695 478 HA ASP 60 HA ASP 60 7.218 -4.230 11.028 479 HB2 ASP 60 HB2 ASP 60 8.653 -4.131 8.374 480 HB3 ASP 60 HB1 ASP 60 9.143 -5.201 9.684 481 H LYS 61 HN LYS 61 8.797 -1.598 9.369 482 HA LYS 61 HA LYS 61 11.186 -1.501 10.668 483 HB2 LYS 61 HB2 LYS 61 9.383 0.604 9.601 484 HB3 LYS 61 HB1 LYS 61 10.639 1.131 10.720 485 HG2 LYS 61 HG2 LYS 61 11.306 -0.703 8.516 486 HG3 LYS 61 HG1 LYS 61 11.149 1.003 8.163 487 HD2 LYS 61 HD2 LYS 61 12.772 1.450 10.037 488 HD3 LYS 61 HD1 LYS 61 13.024 -0.292 10.164 489 HE2 LYS 61 HE2 LYS 61 13.780 -0.362 7.819 490 HE3 LYS 61 HE1 LYS 61 13.516 1.375 7.678 491 HZ1 LYS 61 HZ1 LYS 61 15.349 0.120 9.645 492 HZ2 LYS 61 HZ2 LYS 61 15.169 1.780 9.331 493 HZ3 LYS 61 HZ3 LYS 61 15.845 0.759 8.153 494 H ASN 62 HN ASN 62 8.015 -0.530 11.630 495 HA ASN 62 HA ASN 62 8.802 -0.533 14.381 496 HB2 ASN 62 HB2 ASN 62 9.216 1.687 14.075 497 HB3 ASN 62 HB1 ASN 62 8.024 1.820 12.776 498 HD21 ASN 62 HD21 ASN 62 8.402 1.599 16.339 499 HD22 ASN 62 HD22 ASN 62 6.869 2.275 16.708 500 H GLY 63 HN GLY 63 7.506 -2.321 14.705 501 HA2 GLY 63 HA2 GLY 63 5.429 -2.963 15.745 502 HA3 GLY 63 HA1 GLY 63 4.602 -1.752 14.759 503 H GLY 64 HN GLY 64 3.441 -4.172 14.760 504 HA2 GLY 64 HA2 GLY 64 3.674 -5.002 12.002 505 HA3 GLY 64 HA1 GLY 64 4.223 -6.229 13.137 506 H ALA 65 HN ALA 65 1.971 -6.382 11.321 507 HA ALA 65 HA ALA 65 0.066 -7.695 12.833 508 HB1 ALA 65 HB1 ALA 65 -0.206 -4.844 13.120 509 HB2 ALA 65 HB2 ALA 65 -1.182 -6.120 13.840 510 HB3 ALA 65 HB3 ALA 65 -1.612 -5.469 12.260 511 H ASN 66 HN ASN 66 -2.281 -7.392 11.543 512 HA ASN 66 HA ASN 66 -1.590 -8.072 8.770 513 HB2 ASN 66 HB2 ASN 66 -4.144 -8.567 8.684 514 HB3 ASN 66 HB1 ASN 66 -3.094 -9.665 9.602 515 HD21 ASN 66 HD21 ASN 66 -4.714 -6.503 10.289 516 HD22 ASN 66 HD22 ASN 66 -5.347 -7.000 11.797 517 H ARG 67 HN ARG 67 -1.604 -5.286 9.904 518 HA ARG 67 HA ARG 67 -2.963 -4.118 7.706 519 HB2 ARG 67 HB2 ARG 67 -4.570 -4.176 9.838 520 HB3 ARG 67 HB1 ARG 67 -3.619 -2.730 10.217 521 HG2 ARG 67 HG2 ARG 67 -4.909 -1.581 8.792 522 HG3 ARG 67 HG1 ARG 67 -4.142 -2.474 7.498 523 HD2 ARG 67 HD2 ARG 67 -6.767 -2.988 8.809 524 HD3 ARG 67 HD1 ARG 67 -6.390 -2.853 7.090 525 HE ARG 67 HE ARG 67 -5.248 -5.053 7.300 526 HH11 ARG 67 HH11 ARG 67 -7.476 -4.167 9.863 527 HH12 ARG 67 HH12 ARG 67 -7.771 -5.801 10.327 528 HH21 ARG 67 HH21 ARG 67 -5.670 -7.175 7.959 529 HH22 ARG 67 HH22 ARG 67 -6.764 -7.486 9.261 530 H LYS 68 HN LYS 68 -2.501 -2.034 7.486 531 HA LYS 68 HA LYS 68 -0.428 -0.675 8.855 532 HB2 LYS 68 HB2 LYS 68 0.908 -1.006 6.550 533 HB3 LYS 68 HB1 LYS 68 1.126 -2.083 7.917 534 HG2 LYS 68 HG2 LYS 68 -1.176 -3.018 6.403 535 HG3 LYS 68 HG1 LYS 68 0.171 -2.765 5.337 536 HD2 LYS 68 HD2 LYS 68 0.634 -4.171 7.925 537 HD3 LYS 68 HD1 LYS 68 -0.070 -5.056 6.576 538 HE2 LYS 68 HE2 LYS 68 1.853 -4.441 5.159 539 HE3 LYS 68 HE1 LYS 68 2.554 -3.531 6.497 540 HZ1 LYS 68 HZ1 LYS 68 2.470 -6.388 6.049 541 HZ2 LYS 68 HZ2 LYS 68 2.113 -5.914 7.641 542 HZ3 LYS 68 HZ3 LYS 68 3.585 -5.458 6.924 543 H VAL 69 HN VAL 69 -2.231 -1.429 5.977 544 HA VAL 69 HA VAL 69 -2.569 1.377 5.397 545 HB VAL 69 HB VAL 69 -3.153 0.690 3.093 546 HG11 VAL 69 HG11 VAL 69 -0.511 -0.488 3.965 547 HG12 VAL 69 HG12 VAL 69 -0.800 1.227 3.667 548 HG13 VAL 69 HG13 VAL 69 -0.937 0.067 2.347 549 HG21 VAL 69 HG21 VAL 69 -2.290 -1.910 2.780 550 HG22 VAL 69 HG22 VAL 69 -3.974 -1.452 3.001 551 HG23 VAL 69 HG23 VAL 69 -3.028 -1.997 4.378 552 H ASN 70 HN ASN 70 -4.835 1.183 3.830 553 HA ASN 70 HA ASN 70 -7.139 0.962 4.008 554 HB2 ASN 70 HB2 ASN 70 -5.989 -1.541 5.141 555 HB3 ASN 70 HB1 ASN 70 -7.718 -1.338 4.982 556 HD21 ASN 70 HD21 ASN 70 -5.804 -3.197 3.553 557 HD22 ASN 70 HD22 ASN 70 -6.004 -2.843 1.895 558 H ASP 71 HN ASP 71 -8.852 -0.157 5.862 559 HA ASP 71 HA ASP 71 -8.309 0.313 8.570 560 HB2 ASP 71 HB2 ASP 71 -7.887 2.621 8.167 561 HB3 ASP 71 HB1 ASP 71 -9.280 2.761 7.094 Start of MODEL 7 1 H1 ASN 1 HT1 ASN 1 2.402 9.393 15.139 2 H2 ASN 1 HT2 ASN 1 1.799 9.130 16.705 3 H3 ASN 1 HT3 ASN 1 3.403 8.714 16.327 4 HA ASN 1 HA ASN 1 2.285 11.465 16.382 5 HB2 ASN 1 HB2 ASN 1 4.387 10.235 18.178 6 HB3 ASN 1 HB1 ASN 1 3.552 11.773 18.386 7 HD21 ASN 1 HD21 ASN 1 0.939 11.338 18.309 8 HD22 ASN 1 HD22 ASN 1 0.437 10.091 19.346 9 H LEU 2 HN LEU 2 3.274 12.661 14.883 10 HA LEU 2 HA LEU 2 6.168 12.502 14.577 11 HB2 LEU 2 HB2 LEU 2 6.097 12.209 12.161 12 HB3 LEU 2 HB1 LEU 2 5.288 10.851 12.944 13 HG LEU 2 HG LEU 2 3.215 12.620 12.645 14 HD11 LEU 2 HD11 LEU 2 3.416 13.329 10.211 15 HD12 LEU 2 HD12 LEU 2 5.133 12.945 10.325 16 HD13 LEU 2 HD13 LEU 2 4.445 14.215 11.337 17 HD21 LEU 2 HD21 LEU 2 2.485 11.142 10.842 18 HD22 LEU 2 HD22 LEU 2 3.295 10.184 12.081 19 HD23 LEU 2 HD23 LEU 2 4.141 10.589 10.587 20 H THR 3 HN THR 3 7.045 14.320 13.400 21 HA THR 3 HA THR 3 5.165 16.580 13.099 22 HB THR 3 HB THR 3 6.834 18.069 14.102 23 HG1 THR 3 HG1 THR 3 8.714 17.000 13.659 24 HG21 THR 3 HG21 THR 3 5.118 16.936 15.526 25 HG22 THR 3 HG22 THR 3 6.594 17.337 16.406 26 HG23 THR 3 HG23 THR 3 6.301 15.677 15.883 27 H LYS 4 HN LYS 4 5.995 18.314 11.712 28 HA LYS 4 HA LYS 4 7.984 17.341 9.750 29 HB2 LYS 4 HB2 LYS 4 5.409 18.838 9.202 30 HB3 LYS 4 HB1 LYS 4 6.648 18.485 7.998 31 HG2 LYS 4 HG2 LYS 4 6.348 16.092 8.315 32 HG3 LYS 4 HG1 LYS 4 5.218 16.376 9.638 33 HD2 LYS 4 HD2 LYS 4 3.922 15.892 7.654 34 HD3 LYS 4 HD1 LYS 4 3.739 17.609 8.014 35 HE2 LYS 4 HE2 LYS 4 5.431 18.173 6.339 36 HE3 LYS 4 HE1 LYS 4 5.711 16.462 6.016 37 HZ1 LYS 4 HZ1 LYS 4 4.236 17.071 4.368 38 HZ2 LYS 4 HZ2 LYS 4 3.352 18.110 5.380 39 HZ3 LYS 4 HZ3 LYS 4 3.200 16.425 5.544 40 H GLN 5 HN GLN 5 9.398 18.853 8.918 41 HA GLN 5 HA GLN 5 9.753 21.248 10.508 42 HB2 GLN 5 HB2 GLN 5 11.826 21.522 9.250 43 HB3 GLN 5 HB1 GLN 5 11.684 19.857 9.814 44 HG2 GLN 5 HG2 GLN 5 10.770 19.211 7.593 45 HG3 GLN 5 HG1 GLN 5 11.007 20.865 7.039 46 HE21 GLN 5 HE21 GLN 5 12.435 17.889 6.879 47 HE22 GLN 5 HE22 GLN 5 14.076 18.367 6.738 48 H LYS 6 HN LYS 6 9.997 23.374 9.586 49 HA LYS 6 HA LYS 6 7.850 24.148 7.939 50 HB2 LYS 6 HB2 LYS 6 8.938 25.673 9.532 51 HB3 LYS 6 HB1 LYS 6 10.404 25.651 8.551 52 HG2 LYS 6 HG2 LYS 6 9.242 26.663 6.679 53 HG3 LYS 6 HG1 LYS 6 7.696 26.535 7.518 54 HD2 LYS 6 HD2 LYS 6 8.474 28.811 7.756 55 HD3 LYS 6 HD1 LYS 6 8.639 28.020 9.323 56 HE2 LYS 6 HE2 LYS 6 11.019 27.619 8.902 57 HE3 LYS 6 HE1 LYS 6 10.873 28.330 7.296 58 HZ1 LYS 6 HZ1 LYS 6 11.590 30.120 8.485 59 HZ2 LYS 6 HZ2 LYS 6 10.823 29.632 9.921 60 HZ3 LYS 6 HZ3 LYS 6 9.916 30.322 8.662 61 H GLU 7 HN GLU 7 11.288 23.659 7.207 62 HA GLU 7 HA GLU 7 11.184 24.541 4.520 63 HB2 GLU 7 HB2 GLU 7 13.056 22.643 5.941 64 HB3 GLU 7 HB1 GLU 7 13.294 23.183 4.280 65 HG2 GLU 7 HG2 GLU 7 13.401 25.504 4.998 66 HG3 GLU 7 HG1 GLU 7 13.014 25.045 6.654 67 H ALA 8 HN ALA 8 11.065 23.381 2.583 68 HA ALA 8 HA ALA 8 10.250 20.566 2.708 69 HB1 ALA 8 HB1 ALA 8 8.209 22.135 2.795 70 HB2 ALA 8 HB2 ALA 8 8.208 20.866 1.570 71 HB3 ALA 8 HB3 ALA 8 8.602 22.526 1.122 72 H VAL 9 HN VAL 9 10.442 19.467 0.696 73 HA VAL 9 HA VAL 9 11.922 20.942 -1.390 74 HB VAL 9 HB VAL 9 13.364 18.982 -1.711 75 HG11 VAL 9 HG11 VAL 9 14.755 19.332 0.235 76 HG12 VAL 9 HG12 VAL 9 13.373 19.876 1.186 77 HG13 VAL 9 HG13 VAL 9 13.973 20.867 -0.143 78 HG21 VAL 9 HG21 VAL 9 11.808 17.269 -0.858 79 HG22 VAL 9 HG22 VAL 9 11.945 17.943 0.766 80 HG23 VAL 9 HG23 VAL 9 13.345 17.188 0.003 81 H ASN 10 HN ASN 10 11.974 19.750 -3.475 82 HA ASN 10 HA ASN 10 9.309 18.675 -4.025 83 HB2 ASN 10 HB2 ASN 10 11.514 19.578 -5.885 84 HB3 ASN 10 HB1 ASN 10 9.891 19.093 -6.378 85 HD21 ASN 10 HD21 ASN 10 11.669 21.811 -5.895 86 HD22 ASN 10 HD22 ASN 10 10.442 22.879 -5.357 87 H ASP 11 HN ASP 11 12.000 17.298 -2.992 88 HA ASP 11 HA ASP 11 12.663 15.326 -4.893 89 HB2 ASP 11 HB2 ASP 11 12.892 15.404 -1.883 90 HB3 ASP 11 HB1 ASP 11 13.493 14.059 -2.852 91 H LYS 12 HN LYS 12 11.962 13.214 -5.166 92 HA LYS 12 HA LYS 12 9.685 12.265 -3.592 93 HB2 LYS 12 HB2 LYS 12 8.322 11.819 -5.569 94 HB3 LYS 12 HB1 LYS 12 8.691 13.541 -5.469 95 HG2 LYS 12 HG2 LYS 12 10.554 13.229 -7.068 96 HG3 LYS 12 HG1 LYS 12 10.154 11.515 -7.187 97 HD2 LYS 12 HD2 LYS 12 7.932 12.064 -8.059 98 HD3 LYS 12 HD1 LYS 12 8.270 13.787 -7.883 99 HE2 LYS 12 HE2 LYS 12 8.635 13.104 -10.207 100 HE3 LYS 12 HE1 LYS 12 10.170 13.554 -9.466 101 HZ1 LYS 12 HZ1 LYS 12 10.302 11.472 -10.729 102 HZ2 LYS 12 HZ2 LYS 12 9.149 10.775 -9.693 103 HZ3 LYS 12 HZ3 LYS 12 10.664 11.248 -9.087 104 H GLY 13 HN GLY 13 9.183 9.993 -4.032 105 HA2 GLY 13 HA2 GLY 13 10.324 8.159 -5.624 106 HA3 GLY 13 HA1 GLY 13 11.610 8.478 -4.484 107 H LYS 14 HN LYS 14 11.686 7.343 -2.696 108 HA LYS 14 HA LYS 14 9.928 5.255 -2.171 109 HB2 LYS 14 HB2 LYS 14 11.023 5.095 -0.003 110 HB3 LYS 14 HB1 LYS 14 12.228 5.471 -1.236 111 HG2 LYS 14 HG2 LYS 14 12.051 7.880 -0.640 112 HG3 LYS 14 HG1 LYS 14 10.912 7.459 0.640 113 HD2 LYS 14 HD2 LYS 14 12.647 6.001 1.667 114 HD3 LYS 14 HD1 LYS 14 13.786 6.523 0.427 115 HE2 LYS 14 HE2 LYS 14 12.373 8.365 2.379 116 HE3 LYS 14 HE1 LYS 14 14.048 7.829 2.521 117 HZ1 LYS 14 HZ1 LYS 14 13.987 9.971 1.481 118 HZ2 LYS 14 HZ2 LYS 14 12.881 9.429 0.309 119 HZ3 LYS 14 HZ3 LYS 14 14.469 8.825 0.328 120 H ALA 15 HN ALA 15 9.835 8.638 -1.183 121 HA ALA 15 HA ALA 15 7.842 8.375 0.819 122 HB1 ALA 15 HB1 ALA 15 9.007 10.556 -0.841 123 HB2 ALA 15 HB2 ALA 15 8.807 10.458 0.916 124 HB3 ALA 15 HB3 ALA 15 7.427 10.870 -0.105 125 H ALA 16 HN ALA 16 7.591 9.437 -2.540 126 HA ALA 16 HA ALA 16 4.814 9.502 -2.735 127 HB1 ALA 16 HB1 ALA 16 6.654 8.867 -5.037 128 HB2 ALA 16 HB2 ALA 16 6.514 10.488 -4.360 129 HB3 ALA 16 HB3 ALA 16 5.107 9.711 -5.085 130 H VAL 17 HN VAL 17 7.104 6.964 -3.326 131 HA VAL 17 HA VAL 17 5.335 5.067 -4.464 132 HB VAL 17 HB VAL 17 7.790 4.686 -2.737 133 HG11 VAL 17 HG11 VAL 17 6.463 2.727 -2.500 134 HG12 VAL 17 HG12 VAL 17 7.697 2.358 -3.706 135 HG13 VAL 17 HG13 VAL 17 6.041 2.722 -4.212 136 HG21 VAL 17 HG21 VAL 17 8.957 4.358 -4.767 137 HG22 VAL 17 HG22 VAL 17 7.906 5.730 -5.110 138 HG23 VAL 17 HG23 VAL 17 7.473 4.125 -5.690 139 H VAL 18 HN VAL 18 6.460 5.488 -1.150 140 HA VAL 18 HA VAL 18 4.771 3.705 0.111 141 HB VAL 18 HB VAL 18 5.843 6.369 1.054 142 HG11 VAL 18 HG11 VAL 18 5.307 4.881 3.339 143 HG12 VAL 18 HG12 VAL 18 3.898 4.559 2.330 144 HG13 VAL 18 HG13 VAL 18 4.331 6.216 2.732 145 HG21 VAL 18 HG21 VAL 18 7.626 5.135 1.977 146 HG22 VAL 18 HG22 VAL 18 7.326 4.253 0.480 147 HG23 VAL 18 HG23 VAL 18 6.701 3.633 2.007 148 H LYS 19 HN LYS 19 4.220 7.097 -0.708 149 HA LYS 19 HA LYS 19 1.732 7.357 0.486 150 HB2 LYS 19 HB2 LYS 19 3.121 8.784 -1.752 151 HB3 LYS 19 HB1 LYS 19 1.445 9.163 -1.382 152 HG2 LYS 19 HG2 LYS 19 3.550 10.418 -0.201 153 HG3 LYS 19 HG1 LYS 19 1.979 10.244 0.567 154 HD2 LYS 19 HD2 LYS 19 2.719 8.479 1.951 155 HD3 LYS 19 HD1 LYS 19 4.115 8.136 0.939 156 HE2 LYS 19 HE2 LYS 19 5.188 10.202 1.609 157 HE3 LYS 19 HE1 LYS 19 3.741 10.716 2.476 158 HZ1 LYS 19 HZ1 LYS 19 4.023 9.030 4.066 159 HZ2 LYS 19 HZ2 LYS 19 5.568 9.706 3.858 160 HZ3 LYS 19 HZ3 LYS 19 5.183 8.217 3.134 161 H VAL 20 HN VAL 20 2.544 6.164 -2.798 162 HA VAL 20 HA VAL 20 -0.234 6.013 -3.459 163 HB VAL 20 HB VAL 20 0.492 4.579 -5.380 164 HG11 VAL 20 HG11 VAL 20 1.909 7.229 -5.006 165 HG12 VAL 20 HG12 VAL 20 0.223 7.025 -5.503 166 HG13 VAL 20 HG13 VAL 20 1.528 6.460 -6.548 167 HG21 VAL 20 HG21 VAL 20 2.859 4.373 -5.836 168 HG22 VAL 20 HG22 VAL 20 2.553 3.711 -4.230 169 HG23 VAL 20 HG23 VAL 20 3.260 5.315 -4.403 170 H VAL 21 HN VAL 21 2.088 3.876 -1.984 171 HA VAL 21 HA VAL 21 0.553 1.499 -2.189 172 HB VAL 21 HB VAL 21 2.632 2.419 -0.185 173 HG11 VAL 21 HG11 VAL 21 2.804 -0.093 0.261 174 HG12 VAL 21 HG12 VAL 21 1.231 -0.233 -0.529 175 HG13 VAL 21 HG13 VAL 21 1.396 0.727 0.942 176 HG21 VAL 21 HG21 VAL 21 2.851 0.378 -2.409 177 HG22 VAL 21 HG22 VAL 21 4.160 1.116 -1.490 178 HG23 VAL 21 HG23 VAL 21 3.240 2.079 -2.643 179 H GLU 22 HN GLU 22 0.903 3.910 0.411 180 HA GLU 22 HA GLU 22 -1.176 2.861 2.117 181 HB2 GLU 22 HB2 GLU 22 -0.064 5.667 1.823 182 HB3 GLU 22 HB1 GLU 22 -1.220 5.200 3.066 183 HG2 GLU 22 HG2 GLU 22 0.349 3.636 4.030 184 HG3 GLU 22 HG1 GLU 22 1.479 3.871 2.692 185 H SER 23 HN SER 23 -1.161 5.484 -0.229 186 HA SER 23 HA SER 23 -3.740 6.241 0.074 187 HB2 SER 23 HB2 SER 23 -2.143 7.591 -1.118 188 HB3 SER 23 HB1 SER 23 -2.047 6.396 -2.408 189 HG SER 23 HG SER 23 -3.515 8.252 -2.723 190 H GLN 24 HN GLN 24 -2.638 3.666 -2.313 191 HA GLN 24 HA GLN 24 -5.290 3.578 -3.356 192 HB2 GLN 24 HB2 GLN 24 -4.566 1.761 -4.723 193 HB3 GLN 24 HB1 GLN 24 -3.210 2.880 -4.650 194 HG2 GLN 24 HG2 GLN 24 -2.074 1.493 -3.007 195 HG3 GLN 24 HG1 GLN 24 -3.476 0.443 -2.851 196 HE21 GLN 24 HE21 GLN 24 -2.400 -1.483 -3.588 197 HE22 GLN 24 HE22 GLN 24 -1.901 -1.688 -5.222 198 H ALA 25 HN ALA 25 -3.436 1.940 -0.952 199 HA ALA 25 HA ALA 25 -5.216 -0.200 -0.473 200 HB1 ALA 25 HB1 ALA 25 -3.080 -0.515 0.232 201 HB2 ALA 25 HB2 ALA 25 -3.939 -0.256 1.738 202 HB3 ALA 25 HB3 ALA 25 -2.968 1.039 1.038 203 H GLU 26 HN GLU 26 -4.910 2.996 0.901 204 HA GLU 26 HA GLU 26 -6.709 2.696 3.030 205 HB2 GLU 26 HB2 GLU 26 -5.772 4.783 3.127 206 HB3 GLU 26 HB1 GLU 26 -5.745 4.982 1.372 207 HG2 GLU 26 HG2 GLU 26 -8.235 5.325 1.392 208 HG3 GLU 26 HG1 GLU 26 -8.229 5.110 3.139 209 H LEU 27 HN LEU 27 -7.264 3.506 -0.420 210 HA LEU 27 HA LEU 27 -10.092 3.387 0.100 211 HB2 LEU 27 HB2 LEU 27 -8.703 3.248 -2.547 212 HB3 LEU 27 HB1 LEU 27 -10.465 3.250 -2.252 213 HG LEU 27 HG LEU 27 -8.537 5.452 -1.363 214 HD11 LEU 27 HD11 LEU 27 -9.450 6.783 -3.200 215 HD12 LEU 27 HD12 LEU 27 -10.481 5.439 -3.691 216 HD13 LEU 27 HD13 LEU 27 -8.729 5.305 -3.836 217 HD21 LEU 27 HD21 LEU 27 -10.458 5.450 0.046 218 HD22 LEU 27 HD22 LEU 27 -11.544 5.128 -1.306 219 HD23 LEU 27 HD23 LEU 27 -10.764 6.704 -1.156 220 H TYR 28 HN TYR 28 -7.638 1.054 -0.587 221 HA TYR 28 HA TYR 28 -9.449 -0.724 -1.732 222 HB2 TYR 28 HB2 TYR 28 -7.066 -1.337 0.022 223 HB3 TYR 28 HB1 TYR 28 -8.079 -2.519 -0.809 224 HD1 TYR 28 HD1 TYR 28 -5.248 -2.521 -1.462 225 HD2 TYR 28 HD2 TYR 28 -8.395 -0.128 -3.148 226 HE1 TYR 28 HE1 TYR 28 -3.949 -2.262 -3.549 227 HE2 TYR 28 HE2 TYR 28 -7.086 0.129 -5.224 228 HH TYR 28 HH TYR 28 -4.837 -0.012 -6.007 229 H SER 29 HN SER 29 -8.578 -0.011 1.553 230 HA SER 29 HA SER 29 -10.226 -1.446 3.120 231 HB2 SER 29 HB2 SER 29 -10.126 1.393 3.748 232 HB3 SER 29 HB1 SER 29 -9.571 -0.007 4.684 233 HG SER 29 HG SER 29 -7.948 1.494 3.765 234 H LEU 30 HN LEU 30 -10.911 1.472 1.267 235 HA LEU 30 HA LEU 30 -13.617 1.728 2.055 236 HB2 LEU 30 HB2 LEU 30 -12.591 3.662 1.201 237 HB3 LEU 30 HB1 LEU 30 -12.035 2.838 -0.246 238 HG LEU 30 HG LEU 30 -14.970 2.797 0.229 239 HD11 LEU 30 HD11 LEU 30 -15.344 5.075 -0.412 240 HD12 LEU 30 HD12 LEU 30 -13.632 5.328 -0.756 241 HD13 LEU 30 HD13 LEU 30 -14.175 5.123 0.910 242 HD21 LEU 30 HD21 LEU 30 -14.856 3.412 -2.259 243 HD22 LEU 30 HD22 LEU 30 -14.166 1.852 -1.817 244 HD23 LEU 30 HD23 LEU 30 -13.107 3.229 -2.120 245 H GLU 31 HN GLU 31 -12.113 0.419 -0.779 246 HA GLU 31 HA GLU 31 -14.467 -0.711 -1.884 247 HB2 GLU 31 HB2 GLU 31 -12.789 0.052 -3.409 248 HB3 GLU 31 HB1 GLU 31 -11.555 -0.937 -2.632 249 HG2 GLU 31 HG2 GLU 31 -12.320 -1.980 -4.725 250 HG3 GLU 31 HG1 GLU 31 -12.756 -2.982 -3.348 251 H LYS 32 HN LYS 32 -11.470 -2.519 -1.531 252 HA LYS 32 HA LYS 32 -11.582 -4.934 -1.371 253 HB2 LYS 32 HB2 LYS 32 -10.325 -5.230 0.710 254 HB3 LYS 32 HB1 LYS 32 -9.792 -3.809 -0.149 255 HG2 LYS 32 HG2 LYS 32 -9.895 -2.878 1.907 256 HG3 LYS 32 HG1 LYS 32 -11.603 -2.665 1.566 257 HD2 LYS 32 HD2 LYS 32 -12.190 -4.490 2.997 258 HD3 LYS 32 HD1 LYS 32 -10.613 -5.219 2.899 259 HE2 LYS 32 HE2 LYS 32 -9.738 -3.187 4.236 260 HE3 LYS 32 HE1 LYS 32 -11.436 -2.736 4.440 261 HZ1 LYS 32 HZ1 LYS 32 -11.824 -4.965 5.400 262 HZ2 LYS 32 HZ2 LYS 32 -10.767 -4.004 6.319 263 HZ3 LYS 32 HZ3 LYS 32 -10.154 -5.252 5.342 264 H ASN 33 HN ASN 33 -13.106 -3.639 1.564 265 HA ASN 33 HA ASN 33 -14.791 -4.489 2.862 266 HB2 ASN 33 HB2 ASN 33 -15.441 -6.234 0.466 267 HB3 ASN 33 HB1 ASN 33 -16.444 -6.042 1.902 268 HD21 ASN 33 HD21 ASN 33 -16.686 -5.168 -1.119 269 HD22 ASN 33 HD22 ASN 33 -17.196 -3.536 -0.985 270 H GLU 34 HN GLU 34 -12.081 -6.294 1.800 271 HA GLU 34 HA GLU 34 -11.718 -7.803 4.063 272 HB2 GLU 34 HB2 GLU 34 -13.783 -9.045 3.514 273 HB3 GLU 34 HB1 GLU 34 -13.123 -9.452 1.935 274 HG2 GLU 34 HG2 GLU 34 -11.287 -10.676 3.002 275 HG3 GLU 34 HG1 GLU 34 -11.888 -10.220 4.594 276 H ASP 35 HN ASP 35 -9.563 -7.289 3.579 277 HA ASP 35 HA ASP 35 -7.977 -9.142 2.306 278 HB2 ASP 35 HB2 ASP 35 -9.212 -7.419 0.403 279 HB3 ASP 35 HB1 ASP 35 -7.471 -7.133 0.401 280 H ALA 36 HN ALA 36 -8.311 -6.694 4.094 281 HA ALA 36 HA ALA 36 -6.282 -4.843 4.017 282 HB1 ALA 36 HB1 ALA 36 -7.142 -4.241 5.854 283 HB2 ALA 36 HB2 ALA 36 -6.453 -5.645 6.688 284 HB3 ALA 36 HB3 ALA 36 -8.060 -5.742 5.974 285 H SER 37 HN SER 37 -4.491 -5.000 3.353 286 HA SER 37 HA SER 37 -2.350 -5.719 4.653 287 HB2 SER 37 HB2 SER 37 -3.711 -8.189 3.800 288 HB3 SER 37 HB1 SER 37 -2.003 -8.100 3.396 289 HG SER 37 HG SER 37 -3.269 -8.194 5.874 290 H LEU 38 HN LEU 38 -0.630 -5.192 3.482 291 HA LEU 38 HA LEU 38 -0.813 -4.441 0.776 292 HB2 LEU 38 HB2 LEU 38 1.528 -5.289 2.495 293 HB3 LEU 38 HB1 LEU 38 1.694 -4.652 0.852 294 HG LEU 38 HG LEU 38 0.243 -3.162 3.034 295 HD11 LEU 38 HD11 LEU 38 3.053 -3.732 2.937 296 HD12 LEU 38 HD12 LEU 38 2.228 -2.558 3.958 297 HD13 LEU 38 HD13 LEU 38 2.865 -2.064 2.395 298 HD21 LEU 38 HD21 LEU 38 1.656 -2.081 0.576 299 HD22 LEU 38 HD22 LEU 38 0.334 -1.358 1.472 300 HD23 LEU 38 HD23 LEU 38 0.030 -2.732 0.425 301 H ARG 39 HN ARG 39 0.250 -7.100 2.581 302 HA ARG 39 HA ARG 39 1.278 -8.867 0.927 303 HB2 ARG 39 HB2 ARG 39 -0.836 -9.941 2.695 304 HB3 ARG 39 HB1 ARG 39 0.826 -10.486 2.485 305 HG2 ARG 39 HG2 ARG 39 1.461 -8.173 3.544 306 HG3 ARG 39 HG1 ARG 39 -0.211 -8.166 4.144 307 HD2 ARG 39 HD2 ARG 39 1.598 -10.545 4.565 308 HD3 ARG 39 HD1 ARG 39 1.685 -9.144 5.625 309 HE ARG 39 HE ARG 39 -0.573 -9.583 6.322 310 HH11 ARG 39 HH11 ARG 39 0.698 -12.007 4.138 311 HH12 ARG 39 HH12 ARG 39 -0.470 -13.193 4.592 312 HH21 ARG 39 HH21 ARG 39 -2.069 -11.168 6.896 313 HH22 ARG 39 HH22 ARG 39 -2.028 -12.724 6.137 314 H LYS 40 HN LYS 40 -2.185 -8.295 1.272 315 HA LYS 40 HA LYS 40 -2.730 -10.187 -0.784 316 HB2 LYS 40 HB2 LYS 40 -4.193 -8.551 1.091 317 HB3 LYS 40 HB1 LYS 40 -5.031 -9.120 -0.363 318 HG2 LYS 40 HG2 LYS 40 -5.185 -10.711 1.614 319 HG3 LYS 40 HG1 LYS 40 -4.517 -11.423 0.145 320 HD2 LYS 40 HD2 LYS 40 -2.217 -11.104 0.993 321 HD3 LYS 40 HD1 LYS 40 -2.858 -10.293 2.415 322 HE2 LYS 40 HE2 LYS 40 -3.474 -13.161 1.653 323 HE3 LYS 40 HE1 LYS 40 -2.299 -12.674 2.875 324 HZ1 LYS 40 HZ1 LYS 40 -4.160 -13.017 4.140 325 HZ2 LYS 40 HZ2 LYS 40 -5.230 -12.483 2.932 326 HZ3 LYS 40 HZ3 LYS 40 -4.313 -11.360 3.818 327 H LEU 41 HN LEU 41 -3.278 -6.625 -0.586 328 HA LEU 41 HA LEU 41 -4.348 -6.428 -3.166 329 HB2 LEU 41 HB2 LEU 41 -3.401 -4.071 -3.155 330 HB3 LEU 41 HB1 LEU 41 -4.429 -4.458 -1.791 331 HG LEU 41 HG LEU 41 -1.952 -5.192 -0.865 332 HD11 LEU 41 HD11 LEU 41 -1.495 -2.556 -2.237 333 HD12 LEU 41 HD12 LEU 41 -1.114 -4.068 -3.062 334 HD13 LEU 41 HD13 LEU 41 -0.320 -3.669 -1.542 335 HD21 LEU 41 HD21 LEU 41 -2.040 -2.838 0.216 336 HD22 LEU 41 HD22 LEU 41 -3.354 -3.955 0.552 337 HD23 LEU 41 HD23 LEU 41 -3.570 -2.667 -0.632 338 H GLN 42 HN GLN 42 -1.048 -6.268 -1.990 339 HA GLN 42 HA GLN 42 0.253 -6.207 -4.474 340 HB2 GLN 42 HB2 GLN 42 1.305 -5.354 -2.562 341 HB3 GLN 42 HB1 GLN 42 0.967 -6.776 -1.648 342 HG2 GLN 42 HG2 GLN 42 2.490 -7.522 -3.908 343 HG3 GLN 42 HG1 GLN 42 3.207 -6.189 -3.074 344 HE21 GLN 42 HE21 GLN 42 1.224 -8.831 -1.812 345 HE22 GLN 42 HE22 GLN 42 2.348 -9.324 -0.637 346 H ALA 43 HN ALA 43 -1.082 -8.690 -2.446 347 HA ALA 43 HA ALA 43 0.343 -10.950 -3.221 348 HB1 ALA 43 HB1 ALA 43 -2.604 -10.771 -2.960 349 HB2 ALA 43 HB2 ALA 43 -1.493 -11.285 -1.706 350 HB3 ALA 43 HB3 ALA 43 -1.736 -12.273 -3.131 351 H ASP 44 HN ASP 44 -2.046 -9.039 -4.828 352 HA ASP 44 HA ASP 44 -1.982 -10.677 -7.291 353 HB2 ASP 44 HB2 ASP 44 -4.186 -9.805 -6.378 354 HB3 ASP 44 HB1 ASP 44 -3.607 -8.178 -6.735 355 H GLY 45 HN GLY 45 0.257 -9.483 -6.388 356 HA2 GLY 45 HA2 GLY 45 1.940 -7.962 -6.740 357 HA3 GLY 45 HA1 GLY 45 1.622 -8.509 -8.353 358 H ARG 46 HN ARG 46 -0.648 -6.436 -6.528 359 HA ARG 46 HA ARG 46 -1.018 -4.535 -8.503 360 HB2 ARG 46 HB2 ARG 46 -1.296 -4.664 -5.548 361 HB3 ARG 46 HB1 ARG 46 -1.388 -3.094 -6.340 362 HG2 ARG 46 HG2 ARG 46 -3.214 -3.789 -7.710 363 HG3 ARG 46 HG1 ARG 46 -3.025 -5.473 -7.200 364 HD2 ARG 46 HD2 ARG 46 -3.928 -5.104 -5.139 365 HD3 ARG 46 HD1 ARG 46 -3.341 -3.430 -5.069 366 HE ARG 46 HE ARG 46 -5.219 -3.261 -6.994 367 HH11 ARG 46 HH11 ARG 46 -5.307 -4.871 -3.899 368 HH12 ARG 46 HH12 ARG 46 -7.011 -4.681 -3.712 369 HH21 ARG 46 HH21 ARG 46 -7.448 -3.029 -6.722 370 HH22 ARG 46 HH22 ARG 46 -8.220 -3.644 -5.297 371 H ILE 47 HN ILE 47 0.792 -4.294 -5.570 372 HA ILE 47 HA ILE 47 2.589 -2.269 -6.663 373 HB ILE 47 HB ILE 47 2.744 -1.432 -4.415 374 HG12 ILE 47 HG12 ILE 47 0.857 -3.593 -3.581 375 HG13 ILE 47 HG11 ILE 47 2.576 -3.765 -3.390 376 HG21 ILE 47 HG21 ILE 47 -0.104 -2.182 -4.958 377 HG22 ILE 47 HG22 ILE 47 0.750 -0.902 -5.832 378 HG23 ILE 47 HG23 ILE 47 0.483 -0.763 -4.093 379 HD11 ILE 47 HD11 ILE 47 1.566 -2.855 -1.335 380 HD12 ILE 47 HD12 ILE 47 0.889 -1.518 -2.262 381 HD13 ILE 47 HD13 ILE 47 2.636 -1.667 -2.074 382 H THR 48 HN THR 48 3.026 -5.101 -7.013 383 HA THR 48 HA THR 48 4.489 -6.827 -6.431 384 HB THR 48 HB THR 48 5.469 -5.088 -8.069 385 HG1 THR 48 HG1 THR 48 6.840 -6.632 -8.409 386 HG21 THR 48 HG21 THR 48 6.983 -3.570 -7.362 387 HG22 THR 48 HG22 THR 48 7.786 -4.731 -6.316 388 HG23 THR 48 HG23 THR 48 6.368 -3.861 -5.738 389 H GLU 49 HN GLU 49 6.581 -7.422 -5.159 390 HA GLU 49 HA GLU 49 5.977 -6.808 -2.407 391 HB2 GLU 49 HB2 GLU 49 8.045 -8.599 -3.700 392 HB3 GLU 49 HB1 GLU 49 7.860 -8.438 -1.954 393 HG2 GLU 49 HG2 GLU 49 5.604 -9.277 -2.047 394 HG3 GLU 49 HG1 GLU 49 5.602 -9.237 -3.808 395 H GLU 50 HN GLU 50 8.152 -5.506 -4.663 396 HA GLU 50 HA GLU 50 10.321 -4.908 -2.976 397 HB2 GLU 50 HB2 GLU 50 9.251 -3.522 -5.431 398 HB3 GLU 50 HB1 GLU 50 10.749 -3.038 -4.634 399 HG2 GLU 50 HG2 GLU 50 10.151 -5.797 -5.749 400 HG3 GLU 50 HG1 GLU 50 11.196 -4.594 -6.500 401 H GLN 51 HN GLN 51 7.521 -2.852 -3.800 402 HA GLN 51 HA GLN 51 8.314 -0.899 -1.833 403 HB2 GLN 51 HB2 GLN 51 6.231 0.281 -2.659 404 HB3 GLN 51 HB1 GLN 51 7.496 0.031 -3.859 405 HG2 GLN 51 HG2 GLN 51 6.380 -1.807 -4.817 406 HG3 GLN 51 HG1 GLN 51 5.261 -1.937 -3.456 407 HE21 GLN 51 HE21 GLN 51 4.583 -1.587 -6.308 408 HE22 GLN 51 HE22 GLN 51 3.687 -0.135 -6.377 409 H ALA 52 HN ALA 52 6.019 -3.520 -2.116 410 HA ALA 52 HA ALA 52 4.281 -2.578 -0.108 411 HB1 ALA 52 HB1 ALA 52 3.310 -3.995 -1.527 412 HB2 ALA 52 HB2 ALA 52 3.592 -5.044 -0.140 413 HB3 ALA 52 HB3 ALA 52 4.649 -5.133 -1.556 414 H LYS 53 HN LYS 53 7.090 -4.700 -0.191 415 HA LYS 53 HA LYS 53 6.773 -5.253 2.593 416 HB2 LYS 53 HB2 LYS 53 8.473 -6.290 0.516 417 HB3 LYS 53 HB1 LYS 53 9.378 -5.939 1.986 418 HG2 LYS 53 HG2 LYS 53 7.741 -7.176 3.318 419 HG3 LYS 53 HG1 LYS 53 6.800 -7.514 1.849 420 HD2 LYS 53 HD2 LYS 53 8.727 -8.747 0.900 421 HD3 LYS 53 HD1 LYS 53 9.662 -8.410 2.359 422 HE2 LYS 53 HE2 LYS 53 8.007 -9.639 3.712 423 HE3 LYS 53 HE1 LYS 53 7.062 -9.970 2.261 424 HZ1 LYS 53 HZ1 LYS 53 8.789 -11.282 1.374 425 HZ2 LYS 53 HZ2 LYS 53 8.608 -11.784 2.988 426 HZ3 LYS 53 HZ3 LYS 53 9.900 -10.772 2.550 427 H ALA 54 HN ALA 54 8.474 -3.138 0.523 428 HA ALA 54 HA ALA 54 10.234 -2.028 2.472 429 HB1 ALA 54 HB1 ALA 54 10.329 -0.035 1.016 430 HB2 ALA 54 HB2 ALA 54 8.933 -0.611 0.108 431 HB3 ALA 54 HB3 ALA 54 10.456 -1.497 0.041 432 H TYR 55 HN TYR 55 6.907 -1.220 1.406 433 HA TYR 55 HA TYR 55 6.622 0.835 3.316 434 HB2 TYR 55 HB2 TYR 55 5.143 0.761 1.459 435 HB3 TYR 55 HB1 TYR 55 4.426 -0.760 2.057 436 HD1 TYR 55 HD1 TYR 55 5.117 2.795 2.930 437 HD2 TYR 55 HD2 TYR 55 2.873 -0.733 3.819 438 HE1 TYR 55 HE1 TYR 55 3.799 4.064 4.599 439 HE2 TYR 55 HE2 TYR 55 1.554 0.531 5.497 440 HH TYR 55 HH TYR 55 2.201 2.873 6.957 441 H LYS 56 HN LYS 56 5.889 -2.573 3.376 442 HA LYS 56 HA LYS 56 4.419 -2.603 5.724 443 HB2 LYS 56 HB2 LYS 56 5.679 -4.481 4.034 444 HB3 LYS 56 HB1 LYS 56 6.299 -4.779 5.642 445 HG2 LYS 56 HG2 LYS 56 3.886 -4.737 6.451 446 HG3 LYS 56 HG1 LYS 56 3.410 -4.729 4.746 447 HD2 LYS 56 HD2 LYS 56 5.234 -6.832 5.947 448 HD3 LYS 56 HD1 LYS 56 3.485 -7.028 5.819 449 HE2 LYS 56 HE2 LYS 56 3.644 -6.661 3.368 450 HE3 LYS 56 HE1 LYS 56 5.396 -6.542 3.516 451 HZ1 LYS 56 HZ1 LYS 56 4.244 -8.805 2.956 452 HZ2 LYS 56 HZ2 LYS 56 4.057 -8.891 4.641 453 HZ3 LYS 56 HZ3 LYS 56 5.608 -8.751 3.960 454 H GLU 57 HN GLU 57 7.837 -3.060 5.179 455 HA GLU 57 HA GLU 57 8.619 -2.906 7.740 456 HB2 GLU 57 HB2 GLU 57 10.727 -2.979 7.035 457 HB3 GLU 57 HB1 GLU 57 9.945 -3.293 5.535 458 HG2 GLU 57 HG2 GLU 57 9.973 -0.645 5.360 459 HG3 GLU 57 HG1 GLU 57 11.290 -0.812 6.490 460 H TYR 58 HN TYR 58 7.648 -0.331 5.725 461 HA TYR 58 HA TYR 58 8.674 1.766 7.313 462 HB2 TYR 58 HB2 TYR 58 6.596 1.752 5.137 463 HB3 TYR 58 HB1 TYR 58 6.685 3.113 6.251 464 HD1 TYR 58 HD1 TYR 58 8.259 1.536 3.386 465 HD2 TYR 58 HD2 TYR 58 8.882 4.305 6.603 466 HE1 TYR 58 HE1 TYR 58 10.218 2.463 2.200 467 HE2 TYR 58 HE2 TYR 58 10.846 5.237 5.414 468 HH TYR 58 HH TYR 58 12.396 3.724 2.967 469 H HIS 59 HN HIS 59 5.637 0.077 7.072 470 HA HIS 59 HA HIS 59 4.523 1.493 9.378 471 HB2 HIS 59 HB2 HIS 59 3.061 0.823 7.519 472 HB3 HIS 59 HB1 HIS 59 3.380 -0.872 7.877 473 HD1 HIS 59 HD1 HIS 59 2.048 2.226 9.658 474 HD2 HIS 59 HD2 HIS 59 1.640 -1.917 9.779 475 HE1 HIS 59 HE1 HIS 59 0.246 1.731 11.366 476 HE2 HIS 59 HE2 HIS 59 -0.012 -0.794 11.451 477 H ASP 60 HN ASP 60 4.504 -1.954 8.869 478 HA ASP 60 HA ASP 60 4.627 -2.607 11.634 479 HB2 ASP 60 HB2 ASP 60 4.950 -4.315 9.178 480 HB3 ASP 60 HB1 ASP 60 4.668 -4.913 10.816 481 H LYS 61 HN LYS 61 7.078 -1.987 9.269 482 HA LYS 61 HA LYS 61 9.358 -2.136 9.452 483 HB2 LYS 61 HB2 LYS 61 10.222 -1.990 11.458 484 HB3 LYS 61 HB1 LYS 61 8.592 -2.141 12.104 485 HG2 LYS 61 HG2 LYS 61 9.110 -4.764 11.670 486 HG3 LYS 61 HG1 LYS 61 10.759 -4.183 11.962 487 HD2 LYS 61 HD2 LYS 61 8.426 -3.615 13.812 488 HD3 LYS 61 HD1 LYS 61 9.595 -4.912 14.062 489 HE2 LYS 61 HE2 LYS 61 11.424 -3.238 14.094 490 HE3 LYS 61 HE1 LYS 61 10.235 -1.951 13.898 491 HZ1 LYS 61 HZ1 LYS 61 9.555 -2.132 16.020 492 HZ2 LYS 61 HZ2 LYS 61 11.093 -2.812 16.261 493 HZ3 LYS 61 HZ3 LYS 61 9.737 -3.817 16.068 494 H ASN 62 HN ASN 62 7.185 -4.212 8.872 495 HA ASN 62 HA ASN 62 7.169 -6.048 7.574 496 HB2 ASN 62 HB2 ASN 62 10.067 -6.349 8.381 497 HB3 ASN 62 HB1 ASN 62 9.209 -7.527 7.440 498 HD21 ASN 62 HD21 ASN 62 11.469 -6.020 6.428 499 HD22 ASN 62 HD22 ASN 62 10.889 -5.039 5.147 500 H GLY 63 HN GLY 63 6.692 -5.709 10.530 501 HA2 GLY 63 HA2 GLY 63 7.166 -8.354 11.648 502 HA3 GLY 63 HA1 GLY 63 6.320 -7.010 12.433 503 H GLY 64 HN GLY 64 5.001 -9.184 12.870 504 HA2 GLY 64 HA2 GLY 64 3.293 -10.113 10.778 505 HA3 GLY 64 HA1 GLY 64 3.075 -10.406 12.500 506 H ALA 65 HN ALA 65 1.284 -9.469 10.174 507 HA ALA 65 HA ALA 65 -0.363 -7.740 11.752 508 HB1 ALA 65 HB1 ALA 65 0.754 -5.851 11.148 509 HB2 ALA 65 HB2 ALA 65 -0.258 -5.996 9.712 510 HB3 ALA 65 HB3 ALA 65 1.410 -6.572 9.678 511 H ASN 66 HN ASN 66 -2.379 -7.146 10.579 512 HA ASN 66 HA ASN 66 -2.912 -8.985 8.317 513 HB2 ASN 66 HB2 ASN 66 -5.309 -9.002 9.415 514 HB3 ASN 66 HB1 ASN 66 -4.050 -10.116 9.976 515 HD21 ASN 66 HD21 ASN 66 -4.474 -6.597 10.627 516 HD22 ASN 66 HD22 ASN 66 -4.548 -6.773 12.326 517 H ARG 67 HN ARG 67 -2.511 -5.878 8.730 518 HA ARG 67 HA ARG 67 -4.607 -5.270 6.846 519 HB2 ARG 67 HB2 ARG 67 -5.817 -4.798 8.823 520 HB3 ARG 67 HB1 ARG 67 -4.483 -3.814 9.440 521 HG2 ARG 67 HG2 ARG 67 -4.784 -2.139 7.922 522 HG3 ARG 67 HG1 ARG 67 -5.474 -3.210 6.711 523 HD2 ARG 67 HD2 ARG 67 -6.814 -2.067 9.159 524 HD3 ARG 67 HD1 ARG 67 -7.207 -1.815 7.459 525 HE ARG 67 HE ARG 67 -7.383 -4.565 8.059 526 HH11 ARG 67 HH11 ARG 67 -8.990 -1.537 8.695 527 HH12 ARG 67 HH12 ARG 67 -10.547 -2.261 8.894 528 HH21 ARG 67 HH21 ARG 67 -9.438 -5.490 8.306 529 HH22 ARG 67 HH22 ARG 67 -10.802 -4.489 8.675 530 H LYS 68 HN LYS 68 -2.109 -3.993 8.882 531 HA LYS 68 HA LYS 68 -0.643 -2.261 8.623 532 HB2 LYS 68 HB2 LYS 68 0.494 -2.389 6.271 533 HB3 LYS 68 HB1 LYS 68 0.751 -3.627 7.473 534 HG2 LYS 68 HG2 LYS 68 -1.529 -3.982 5.509 535 HG3 LYS 68 HG1 LYS 68 0.106 -4.241 4.979 536 HD2 LYS 68 HD2 LYS 68 -1.254 -5.642 7.272 537 HD3 LYS 68 HD1 LYS 68 -0.875 -6.359 5.726 538 HE2 LYS 68 HE2 LYS 68 1.586 -5.805 6.228 539 HE3 LYS 68 HE1 LYS 68 1.059 -5.540 7.889 540 HZ1 LYS 68 HZ1 LYS 68 1.830 -7.882 7.094 541 HZ2 LYS 68 HZ2 LYS 68 0.230 -7.998 6.537 542 HZ3 LYS 68 HZ3 LYS 68 0.544 -7.718 8.181 543 H VAL 69 HN VAL 69 -1.989 -2.384 5.351 544 HA VAL 69 HA VAL 69 -2.115 0.439 5.413 545 HB VAL 69 HB VAL 69 -2.068 0.339 2.983 546 HG11 VAL 69 HG11 VAL 69 0.176 -1.345 4.045 547 HG12 VAL 69 HG12 VAL 69 -0.051 0.297 4.632 548 HG13 VAL 69 HG13 VAL 69 0.231 0.018 2.924 549 HG21 VAL 69 HG21 VAL 69 -1.681 -1.824 1.924 550 HG22 VAL 69 HG22 VAL 69 -3.167 -1.918 2.864 551 HG23 VAL 69 HG23 VAL 69 -1.682 -2.632 3.484 552 H ASN 70 HN ASN 70 -4.268 -1.911 5.892 553 HA ASN 70 HA ASN 70 -6.578 -1.912 5.666 554 HB2 ASN 70 HB2 ASN 70 -6.279 0.798 4.476 555 HB3 ASN 70 HB1 ASN 70 -7.630 0.176 5.433 556 HD21 ASN 70 HD21 ASN 70 -7.253 -0.148 7.734 557 HD22 ASN 70 HD22 ASN 70 -5.962 0.665 8.531 558 H ASP 71 HN ASP 71 -7.299 -3.245 4.101 559 HA ASP 71 HA ASP 71 -7.717 -2.372 1.495 560 HB2 ASP 71 HB2 ASP 71 -5.455 -2.352 0.970 561 HB3 ASP 71 HB1 ASP 71 -5.103 -3.600 2.148 Start of MODEL 8 1 H1 ASN 1 HT1 ASN 1 7.902 27.565 7.708 2 H2 ASN 1 HT2 ASN 1 7.727 27.141 9.343 3 H3 ASN 1 HT3 ASN 1 7.447 25.986 8.128 4 HA ASN 1 HA ASN 1 10.075 27.231 8.131 5 HB2 ASN 1 HB2 ASN 1 9.094 25.341 10.284 6 HB3 ASN 1 HB1 ASN 1 10.801 25.551 9.899 7 HD21 ASN 1 HD21 ASN 1 9.677 26.271 12.469 8 HD22 ASN 1 HD22 ASN 1 9.811 27.957 12.636 9 H LEU 2 HN LEU 2 9.256 26.329 5.922 10 HA LEU 2 HA LEU 2 10.451 23.682 5.618 11 HB2 LEU 2 HB2 LEU 2 8.556 22.781 4.366 12 HB3 LEU 2 HB1 LEU 2 8.050 23.220 5.998 13 HG LEU 2 HG LEU 2 7.620 25.568 4.665 14 HD11 LEU 2 HD11 LEU 2 6.341 24.818 2.587 15 HD12 LEU 2 HD12 LEU 2 7.161 23.267 2.752 16 HD13 LEU 2 HD13 LEU 2 8.098 24.734 2.473 17 HD21 LEU 2 HD21 LEU 2 5.746 23.206 5.015 18 HD22 LEU 2 HD22 LEU 2 5.217 24.848 4.649 19 HD23 LEU 2 HD23 LEU 2 6.031 24.503 6.176 20 H THR 3 HN THR 3 11.070 23.210 3.451 21 HA THR 3 HA THR 3 10.900 25.476 1.568 22 HB THR 3 HB THR 3 13.242 25.127 0.944 23 HG1 THR 3 HG1 THR 3 13.236 22.896 1.666 24 HG21 THR 3 HG21 THR 3 14.251 25.849 3.193 25 HG22 THR 3 HG22 THR 3 12.627 25.674 3.854 26 HG23 THR 3 HG23 THR 3 12.935 26.840 2.565 27 H LYS 4 HN LYS 4 11.475 24.857 -0.665 28 HA LYS 4 HA LYS 4 11.234 22.022 -1.307 29 HB2 LYS 4 HB2 LYS 4 9.332 22.347 -2.780 30 HB3 LYS 4 HB1 LYS 4 8.900 22.830 -1.144 31 HG2 LYS 4 HG2 LYS 4 9.341 25.192 -1.730 32 HG3 LYS 4 HG1 LYS 4 9.747 24.701 -3.375 33 HD2 LYS 4 HD2 LYS 4 7.478 23.777 -3.666 34 HD3 LYS 4 HD1 LYS 4 7.068 24.273 -2.024 35 HE2 LYS 4 HE2 LYS 4 7.493 26.626 -2.620 36 HE3 LYS 4 HE1 LYS 4 7.915 26.138 -4.262 37 HZ1 LYS 4 HZ1 LYS 4 5.733 26.602 -4.566 38 HZ2 LYS 4 HZ2 LYS 4 5.302 26.246 -2.961 39 HZ3 LYS 4 HZ3 LYS 4 5.562 24.988 -4.075 40 H GLN 5 HN GLN 5 11.692 21.578 -3.570 41 HA GLN 5 HA GLN 5 13.018 23.798 -4.995 42 HB2 GLN 5 HB2 GLN 5 14.156 21.017 -4.611 43 HB3 GLN 5 HB1 GLN 5 14.871 22.295 -5.595 44 HG2 GLN 5 HG2 GLN 5 16.026 22.716 -3.661 45 HG3 GLN 5 HG1 GLN 5 14.578 23.646 -3.281 46 HE21 GLN 5 HE21 GLN 5 16.327 22.363 -1.298 47 HE22 GLN 5 HE22 GLN 5 15.372 21.195 -0.486 48 H LYS 6 HN LYS 6 13.050 23.620 -7.263 49 HA LYS 6 HA LYS 6 11.012 21.785 -8.330 50 HB2 LYS 6 HB2 LYS 6 10.725 24.183 -8.809 51 HB3 LYS 6 HB1 LYS 6 12.311 24.219 -9.581 52 HG2 LYS 6 HG2 LYS 6 11.551 22.567 -11.242 53 HG3 LYS 6 HG1 LYS 6 9.967 22.509 -10.469 54 HD2 LYS 6 HD2 LYS 6 9.641 24.909 -10.937 55 HD3 LYS 6 HD1 LYS 6 11.227 24.975 -11.707 56 HE2 LYS 6 HE2 LYS 6 10.492 23.321 -13.382 57 HE3 LYS 6 HE1 LYS 6 8.907 23.243 -12.613 58 HZ1 LYS 6 HZ1 LYS 6 9.333 24.828 -14.625 59 HZ2 LYS 6 HZ2 LYS 6 9.956 25.859 -13.425 60 HZ3 LYS 6 HZ3 LYS 6 8.348 25.321 -13.335 61 H GLU 7 HN GLU 7 11.679 19.970 -9.267 62 HA GLU 7 HA GLU 7 14.437 19.775 -10.249 63 HB2 GLU 7 HB2 GLU 7 12.315 17.675 -9.761 64 HB3 GLU 7 HB1 GLU 7 13.933 17.335 -10.378 65 HG2 GLU 7 HG2 GLU 7 14.925 18.318 -8.351 66 HG3 GLU 7 HG1 GLU 7 13.315 18.684 -7.734 67 H ALA 8 HN ALA 8 11.488 20.621 -11.513 68 HA ALA 8 HA ALA 8 10.705 20.844 -13.658 69 HB1 ALA 8 HB1 ALA 8 13.174 21.443 -14.024 70 HB2 ALA 8 HB2 ALA 8 12.257 20.922 -15.439 71 HB3 ALA 8 HB3 ALA 8 13.357 19.800 -14.639 72 H VAL 9 HN VAL 9 11.088 18.080 -12.142 73 HA VAL 9 HA VAL 9 9.963 16.503 -14.350 74 HB VAL 9 HB VAL 9 11.225 14.518 -13.612 75 HG11 VAL 9 HG11 VAL 9 13.283 15.110 -14.672 76 HG12 VAL 9 HG12 VAL 9 13.143 16.795 -14.168 77 HG13 VAL 9 HG13 VAL 9 12.058 16.151 -15.401 78 HG21 VAL 9 HG21 VAL 9 11.622 15.154 -11.284 79 HG22 VAL 9 HG22 VAL 9 12.607 16.523 -11.798 80 HG23 VAL 9 HG23 VAL 9 13.171 14.877 -12.081 81 H ASN 10 HN ASN 10 8.939 14.447 -13.453 82 HA ASN 10 HA ASN 10 6.936 15.126 -11.615 83 HB2 ASN 10 HB2 ASN 10 7.980 12.437 -12.521 84 HB3 ASN 10 HB1 ASN 10 6.530 12.642 -11.540 85 HD21 ASN 10 HD21 ASN 10 6.609 11.575 -14.285 86 HD22 ASN 10 HD22 ASN 10 5.688 12.653 -15.248 87 H ASP 11 HN ASP 11 6.720 14.889 -9.437 88 HA ASP 11 HA ASP 11 9.158 14.336 -7.921 89 HB2 ASP 11 HB2 ASP 11 7.832 16.361 -7.415 90 HB3 ASP 11 HB1 ASP 11 6.458 15.343 -6.993 91 H LYS 12 HN LYS 12 9.508 12.223 -7.535 92 HA LYS 12 HA LYS 12 7.473 10.748 -6.061 93 HB2 LYS 12 HB2 LYS 12 7.517 8.811 -7.510 94 HB3 LYS 12 HB1 LYS 12 7.033 10.219 -8.455 95 HG2 LYS 12 HG2 LYS 12 9.413 10.485 -9.191 96 HG3 LYS 12 HG1 LYS 12 9.797 8.979 -8.356 97 HD2 LYS 12 HD2 LYS 12 7.675 9.201 -10.506 98 HD3 LYS 12 HD1 LYS 12 9.337 8.707 -10.825 99 HE2 LYS 12 HE2 LYS 12 9.072 6.849 -9.194 100 HE3 LYS 12 HE1 LYS 12 7.389 7.318 -8.963 101 HZ1 LYS 12 HZ1 LYS 12 7.400 5.608 -10.563 102 HZ2 LYS 12 HZ2 LYS 12 8.670 6.318 -11.441 103 HZ3 LYS 12 HZ3 LYS 12 7.134 7.042 -11.426 104 H GLY 13 HN GLY 13 8.330 8.758 -5.114 105 HA2 GLY 13 HA2 GLY 13 10.877 7.770 -5.158 106 HA3 GLY 13 HA1 GLY 13 10.966 9.146 -4.076 107 H LYS 14 HN LYS 14 11.394 7.754 -2.294 108 HA LYS 14 HA LYS 14 9.720 5.618 -1.570 109 HB2 LYS 14 HB2 LYS 14 11.450 7.435 0.116 110 HB3 LYS 14 HB1 LYS 14 10.676 5.968 0.720 111 HG2 LYS 14 HG2 LYS 14 12.513 6.000 -1.686 112 HG3 LYS 14 HG1 LYS 14 13.080 5.670 -0.047 113 HD2 LYS 14 HD2 LYS 14 11.443 3.780 0.089 114 HD3 LYS 14 HD1 LYS 14 11.014 4.074 -1.594 115 HE2 LYS 14 HE2 LYS 14 12.681 2.283 -1.453 116 HE3 LYS 14 HE1 LYS 14 13.368 3.694 -2.255 117 HZ1 LYS 14 HZ1 LYS 14 14.495 4.315 -0.289 118 HZ2 LYS 14 HZ2 LYS 14 14.798 2.658 -0.507 119 HZ3 LYS 14 HZ3 LYS 14 13.663 3.173 0.647 120 H ALA 15 HN ALA 15 9.581 9.053 -0.841 121 HA ALA 15 HA ALA 15 7.456 8.930 1.039 122 HB1 ALA 15 HB1 ALA 15 8.651 11.039 -0.680 123 HB2 ALA 15 HB2 ALA 15 8.371 11.030 1.061 124 HB3 ALA 15 HB3 ALA 15 7.035 11.353 -0.044 125 H ALA 16 HN ALA 16 7.270 9.773 -2.428 126 HA ALA 16 HA ALA 16 4.473 9.712 -2.624 127 HB1 ALA 16 HB1 ALA 16 6.239 10.668 -4.273 128 HB2 ALA 16 HB2 ALA 16 4.753 9.979 -4.926 129 HB3 ALA 16 HB3 ALA 16 6.246 9.037 -4.946 130 H VAL 17 HN VAL 17 6.882 7.351 -3.278 131 HA VAL 17 HA VAL 17 5.238 5.302 -4.318 132 HB VAL 17 HB VAL 17 7.790 5.062 -2.723 133 HG11 VAL 17 HG11 VAL 17 7.692 2.670 -3.633 134 HG12 VAL 17 HG12 VAL 17 5.975 2.969 -3.935 135 HG13 VAL 17 HG13 VAL 17 6.612 3.042 -2.292 136 HG21 VAL 17 HG21 VAL 17 7.682 5.982 -5.152 137 HG22 VAL 17 HG22 VAL 17 7.246 4.339 -5.613 138 HG23 VAL 17 HG23 VAL 17 8.798 4.655 -4.834 139 H VAL 18 HN VAL 18 6.321 5.752 -0.958 140 HA VAL 18 HA VAL 18 4.728 3.772 0.173 141 HB VAL 18 HB VAL 18 5.693 6.408 1.288 142 HG11 VAL 18 HG11 VAL 18 5.236 5.219 3.509 143 HG12 VAL 18 HG12 VAL 18 4.243 4.099 2.580 144 HG13 VAL 18 HG13 VAL 18 3.828 5.810 2.630 145 HG21 VAL 18 HG21 VAL 18 7.324 4.523 0.573 146 HG22 VAL 18 HG22 VAL 18 6.649 3.603 1.915 147 HG23 VAL 18 HG23 VAL 18 7.478 5.129 2.222 148 H LYS 19 HN LYS 19 4.078 7.126 -0.585 149 HA LYS 19 HA LYS 19 1.576 7.329 0.661 150 HB2 LYS 19 HB2 LYS 19 2.929 8.838 -1.544 151 HB3 LYS 19 HB1 LYS 19 1.247 9.174 -1.160 152 HG2 LYS 19 HG2 LYS 19 3.339 10.436 0.049 153 HG3 LYS 19 HG1 LYS 19 1.769 10.223 0.810 154 HD2 LYS 19 HD2 LYS 19 2.531 8.432 2.152 155 HD3 LYS 19 HD1 LYS 19 3.940 8.138 1.139 156 HE2 LYS 19 HE2 LYS 19 4.978 10.194 1.870 157 HE3 LYS 19 HE1 LYS 19 3.516 10.681 2.727 158 HZ1 LYS 19 HZ1 LYS 19 4.761 9.786 4.409 159 HZ2 LYS 19 HZ2 LYS 19 5.470 8.600 3.421 160 HZ3 LYS 19 HZ3 LYS 19 3.861 8.429 3.937 161 H VAL 20 HN VAL 20 2.419 6.229 -2.632 162 HA VAL 20 HA VAL 20 -0.346 6.006 -3.329 163 HB VAL 20 HB VAL 20 0.456 4.665 -5.286 164 HG11 VAL 20 HG11 VAL 20 1.700 7.374 -4.752 165 HG12 VAL 20 HG12 VAL 20 0.112 7.059 -5.457 166 HG13 VAL 20 HG13 VAL 20 1.574 6.624 -6.344 167 HG21 VAL 20 HG21 VAL 20 2.518 3.820 -4.123 168 HG22 VAL 20 HG22 VAL 20 3.185 5.444 -4.240 169 HG23 VAL 20 HG23 VAL 20 2.836 4.533 -5.705 170 H VAL 21 HN VAL 21 2.070 3.922 -1.917 171 HA VAL 21 HA VAL 21 0.604 1.506 -2.206 172 HB VAL 21 HB VAL 21 2.691 2.367 -0.176 173 HG11 VAL 21 HG11 VAL 21 1.315 -0.279 -0.643 174 HG12 VAL 21 HG12 VAL 21 1.609 0.553 0.884 175 HG13 VAL 21 HG13 VAL 21 2.951 -0.215 0.024 176 HG21 VAL 21 HG21 VAL 21 4.256 1.273 -1.580 177 HG22 VAL 21 HG22 VAL 21 3.240 2.190 -2.689 178 HG23 VAL 21 HG23 VAL 21 2.992 0.457 -2.497 179 H GLU 22 HN GLU 22 0.918 3.852 0.504 180 HA GLU 22 HA GLU 22 -1.066 2.633 2.215 181 HB2 GLU 22 HB2 GLU 22 -0.105 5.515 1.931 182 HB3 GLU 22 HB1 GLU 22 -1.177 4.960 3.212 183 HG2 GLU 22 HG2 GLU 22 0.498 3.494 4.074 184 HG3 GLU 22 HG1 GLU 22 1.538 3.758 2.685 185 H SER 23 HN SER 23 -1.284 5.385 -0.068 186 HA SER 23 HA SER 23 -3.932 5.902 0.417 187 HB2 SER 23 HB2 SER 23 -2.229 6.456 -1.992 188 HB3 SER 23 HB1 SER 23 -3.855 7.096 -1.791 189 HG SER 23 HG SER 23 -3.083 7.966 0.243 190 H GLN 24 HN GLN 24 -2.548 3.772 -2.132 191 HA GLN 24 HA GLN 24 -5.112 3.357 -3.311 192 HB2 GLN 24 HB2 GLN 24 -4.076 1.805 -4.754 193 HB3 GLN 24 HB1 GLN 24 -2.825 3.001 -4.446 194 HG2 GLN 24 HG2 GLN 24 -1.836 1.533 -2.716 195 HG3 GLN 24 HG1 GLN 24 -3.092 0.337 -3.004 196 HE21 GLN 24 HE21 GLN 24 -2.680 -1.212 -4.589 197 HE22 GLN 24 HE22 GLN 24 -1.410 -1.124 -5.746 198 H ALA 25 HN ALA 25 -3.206 1.885 -0.840 199 HA ALA 25 HA ALA 25 -4.693 -0.507 -0.612 200 HB1 ALA 25 HB1 ALA 25 -2.542 -0.535 0.167 201 HB2 ALA 25 HB2 ALA 25 -3.484 -0.533 1.631 202 HB3 ALA 25 HB3 ALA 25 -2.716 0.943 1.081 203 H GLU 26 HN GLU 26 -4.571 2.331 1.403 204 HA GLU 26 HA GLU 26 -6.441 1.681 3.298 205 HB2 GLU 26 HB2 GLU 26 -5.694 3.816 3.723 206 HB3 GLU 26 HB1 GLU 26 -5.705 4.280 2.018 207 HG2 GLU 26 HG2 GLU 26 -8.161 4.436 2.043 208 HG3 GLU 26 HG1 GLU 26 -8.201 3.850 3.700 209 H LEU 27 HN LEU 27 -7.019 2.872 -0.007 210 HA LEU 27 HA LEU 27 -9.839 2.663 0.308 211 HB2 LEU 27 HB2 LEU 27 -8.287 2.639 -2.228 212 HB3 LEU 27 HB1 LEU 27 -10.056 2.703 -2.043 213 HG LEU 27 HG LEU 27 -8.110 4.767 -0.925 214 HD11 LEU 27 HD11 LEU 27 -9.080 6.241 -2.713 215 HD12 LEU 27 HD12 LEU 27 -9.864 4.816 -3.395 216 HD13 LEU 27 HD13 LEU 27 -8.104 4.913 -3.342 217 HD21 LEU 27 HD21 LEU 27 -10.092 4.747 0.399 218 HD22 LEU 27 HD22 LEU 27 -11.125 4.561 -1.019 219 HD23 LEU 27 HD23 LEU 27 -10.292 6.088 -0.730 220 H TYR 28 HN TYR 28 -7.367 0.432 -0.713 221 HA TYR 28 HA TYR 28 -8.969 -1.334 -1.952 222 HB2 TYR 28 HB2 TYR 28 -6.537 -1.632 -0.409 223 HB3 TYR 28 HB1 TYR 28 -7.593 -3.019 -0.343 224 HD1 TYR 28 HD1 TYR 28 -6.894 -0.510 -3.048 225 HD2 TYR 28 HD2 TYR 28 -6.865 -4.633 -1.865 226 HE1 TYR 28 HE1 TYR 28 -6.254 -1.162 -5.346 227 HE2 TYR 28 HE2 TYR 28 -6.226 -5.286 -4.165 228 HH TYR 28 HH TYR 28 -6.592 -3.451 -6.762 229 H SER 29 HN SER 29 -8.755 -0.799 1.512 230 HA SER 29 HA SER 29 -10.739 -2.613 2.444 231 HB2 SER 29 HB2 SER 29 -9.391 -0.200 3.538 232 HB3 SER 29 HB1 SER 29 -11.019 -0.509 4.147 233 HG SER 29 HG SER 29 -10.382 -2.427 4.944 234 H LEU 30 HN LEU 30 -10.834 0.832 1.550 235 HA LEU 30 HA LEU 30 -13.543 1.318 1.945 236 HB2 LEU 30 HB2 LEU 30 -12.098 3.158 1.423 237 HB3 LEU 30 HB1 LEU 30 -11.650 2.424 -0.109 238 HG LEU 30 HG LEU 30 -14.551 2.777 0.210 239 HD11 LEU 30 HD11 LEU 30 -14.018 4.785 1.378 240 HD12 LEU 30 HD12 LEU 30 -14.324 5.284 -0.285 241 HD13 LEU 30 HD13 LEU 30 -12.668 5.145 0.301 242 HD21 LEU 30 HD21 LEU 30 -12.434 3.176 -1.894 243 HD22 LEU 30 HD22 LEU 30 -13.955 4.048 -2.079 244 HD23 LEU 30 HD23 LEU 30 -13.955 2.292 -1.990 245 H GLU 31 HN GLU 31 -12.074 0.777 -1.205 246 HA GLU 31 HA GLU 31 -14.429 -0.040 -2.425 247 HB2 GLU 31 HB2 GLU 31 -12.765 -1.103 -4.140 248 HB3 GLU 31 HB1 GLU 31 -12.831 0.647 -3.950 249 HG2 GLU 31 HG2 GLU 31 -10.833 0.753 -2.785 250 HG3 GLU 31 HG1 GLU 31 -10.904 -0.935 -2.299 251 H LYS 32 HN LYS 32 -11.871 -2.439 -2.639 252 HA LYS 32 HA LYS 32 -12.657 -4.830 -2.613 253 HB2 LYS 32 HB2 LYS 32 -11.172 -4.011 -0.127 254 HB3 LYS 32 HB1 LYS 32 -11.276 -5.612 -0.773 255 HG2 LYS 32 HG2 LYS 32 -10.404 -3.808 -2.828 256 HG3 LYS 32 HG1 LYS 32 -9.361 -3.676 -1.406 257 HD2 LYS 32 HD2 LYS 32 -10.181 -6.322 -2.661 258 HD3 LYS 32 HD1 LYS 32 -8.668 -5.507 -3.029 259 HE2 LYS 32 HE2 LYS 32 -7.886 -5.740 -0.762 260 HE3 LYS 32 HE1 LYS 32 -9.481 -6.228 -0.180 261 HZ1 LYS 32 HZ1 LYS 32 -7.562 -7.751 -1.833 262 HZ2 LYS 32 HZ2 LYS 32 -9.216 -8.138 -1.844 263 HZ3 LYS 32 HZ3 LYS 32 -8.333 -8.213 -0.396 264 H ASN 33 HN ASN 33 -12.803 -3.462 0.638 265 HA ASN 33 HA ASN 33 -14.262 -3.776 2.378 266 HB2 ASN 33 HB2 ASN 33 -16.020 -4.640 0.112 267 HB3 ASN 33 HB1 ASN 33 -16.440 -5.200 1.728 268 HD21 ASN 33 HD21 ASN 33 -16.404 -2.439 -0.403 269 HD22 ASN 33 HD22 ASN 33 -17.050 -1.319 0.723 270 H GLU 34 HN GLU 34 -13.712 -5.199 3.876 271 HA GLU 34 HA GLU 34 -14.012 -7.697 4.429 272 HB2 GLU 34 HB2 GLU 34 -12.216 -7.731 2.047 273 HB3 GLU 34 HB1 GLU 34 -11.789 -8.799 3.376 274 HG2 GLU 34 HG2 GLU 34 -13.928 -9.884 3.316 275 HG3 GLU 34 HG1 GLU 34 -14.569 -8.702 2.180 276 H ASP 35 HN ASP 35 -10.681 -6.976 3.532 277 HA ASP 35 HA ASP 35 -9.990 -5.802 6.074 278 HB2 ASP 35 HB2 ASP 35 -8.651 -8.408 5.408 279 HB3 ASP 35 HB1 ASP 35 -8.589 -7.488 6.912 280 H ALA 36 HN ALA 36 -7.219 -6.630 5.825 281 HA ALA 36 HA ALA 36 -5.729 -4.854 4.983 282 HB1 ALA 36 HB1 ALA 36 -4.297 -6.347 3.726 283 HB2 ALA 36 HB2 ALA 36 -5.503 -7.628 3.907 284 HB3 ALA 36 HB3 ALA 36 -4.724 -6.937 5.331 285 H SER 37 HN SER 37 -4.583 -4.234 3.370 286 HA SER 37 HA SER 37 -5.780 -4.342 0.722 287 HB2 SER 37 HB2 SER 37 -4.693 -2.029 0.663 288 HB3 SER 37 HB1 SER 37 -6.240 -2.206 1.433 289 HG SER 37 HG SER 37 -4.918 -1.102 2.825 290 H LEU 38 HN LEU 38 -2.912 -3.049 2.350 291 HA LEU 38 HA LEU 38 -1.099 -2.976 0.563 292 HB2 LEU 38 HB2 LEU 38 -0.823 -2.610 3.015 293 HB3 LEU 38 HB1 LEU 38 -0.564 -4.349 3.172 294 HG LEU 38 HG LEU 38 1.480 -2.760 2.930 295 HD11 LEU 38 HD11 LEU 38 2.789 -4.545 2.206 296 HD12 LEU 38 HD12 LEU 38 1.583 -5.073 1.033 297 HD13 LEU 38 HD13 LEU 38 1.327 -5.363 2.752 298 HD21 LEU 38 HD21 LEU 38 0.904 -3.176 0.022 299 HD22 LEU 38 HD22 LEU 38 2.199 -2.214 0.728 300 HD23 LEU 38 HD23 LEU 38 0.522 -1.675 0.857 301 H ARG 39 HN ARG 39 -1.550 -6.176 2.253 302 HA ARG 39 HA ARG 39 0.261 -7.260 0.411 303 HB2 ARG 39 HB2 ARG 39 -1.578 -8.680 2.295 304 HB3 ARG 39 HB1 ARG 39 -0.141 -9.346 1.535 305 HG2 ARG 39 HG2 ARG 39 1.275 -7.691 2.662 306 HG3 ARG 39 HG1 ARG 39 -0.155 -6.948 3.402 307 HD2 ARG 39 HD2 ARG 39 0.723 -9.817 3.847 308 HD3 ARG 39 HD1 ARG 39 1.060 -8.479 4.947 309 HE ARG 39 HE ARG 39 -1.698 -8.493 4.507 310 HH11 ARG 39 HH11 ARG 39 0.745 -10.594 5.837 311 HH12 ARG 39 HH12 ARG 39 -0.337 -11.347 6.957 312 HH21 ARG 39 HH21 ARG 39 -3.094 -9.491 5.984 313 HH22 ARG 39 HH22 ARG 39 -2.500 -10.726 7.042 314 H LYS 40 HN LYS 40 -3.085 -6.743 0.390 315 HA LYS 40 HA LYS 40 -3.705 -8.844 -1.437 316 HB2 LYS 40 HB2 LYS 40 -5.017 -6.628 -0.102 317 HB3 LYS 40 HB1 LYS 40 -5.723 -7.198 -1.623 318 HG2 LYS 40 HG2 LYS 40 -6.609 -8.363 0.469 319 HG3 LYS 40 HG1 LYS 40 -5.969 -9.434 -0.778 320 HD2 LYS 40 HD2 LYS 40 -3.916 -9.753 0.415 321 HD3 LYS 40 HD1 LYS 40 -4.274 -8.425 1.516 322 HE2 LYS 40 HE2 LYS 40 -5.843 -11.015 1.320 323 HE3 LYS 40 HE1 LYS 40 -4.689 -10.616 2.590 324 HZ1 LYS 40 HZ1 LYS 40 -6.450 -8.482 2.439 325 HZ2 LYS 40 HZ2 LYS 40 -6.349 -9.650 3.668 326 HZ3 LYS 40 HZ3 LYS 40 -7.412 -9.875 2.363 327 H LEU 41 HN LEU 41 -3.526 -5.270 -1.764 328 HA LEU 41 HA LEU 41 -4.029 -5.188 -4.522 329 HB2 LEU 41 HB2 LEU 41 -2.521 -3.094 -4.404 330 HB3 LEU 41 HB1 LEU 41 -4.031 -3.070 -3.513 331 HG LEU 41 HG LEU 41 -1.917 -4.153 -1.803 332 HD11 LEU 41 HD11 LEU 41 -0.586 -2.690 -3.482 333 HD12 LEU 41 HD12 LEU 41 -0.404 -2.355 -1.766 334 HD13 LEU 41 HD13 LEU 41 -1.423 -1.322 -2.759 335 HD21 LEU 41 HD21 LEU 41 -4.109 -3.081 -1.242 336 HD22 LEU 41 HD22 LEU 41 -3.438 -1.551 -1.809 337 HD23 LEU 41 HD23 LEU 41 -2.726 -2.371 -0.433 338 H GLN 42 HN GLN 42 -1.246 -5.666 -2.580 339 HA GLN 42 HA GLN 42 0.634 -5.768 -4.662 340 HB2 GLN 42 HB2 GLN 42 1.204 -5.139 -2.460 341 HB3 GLN 42 HB1 GLN 42 0.465 -6.576 -1.787 342 HG2 GLN 42 HG2 GLN 42 2.328 -7.444 -3.699 343 HG3 GLN 42 HG1 GLN 42 3.043 -6.170 -2.748 344 HE21 GLN 42 HE21 GLN 42 0.568 -8.488 -1.809 345 HE22 GLN 42 HE22 GLN 42 1.413 -9.099 -0.476 346 H ALA 43 HN ALA 43 -1.387 -7.965 -2.850 347 HA ALA 43 HA ALA 43 -0.444 -10.421 -3.665 348 HB1 ALA 43 HB1 ALA 43 -3.352 -9.863 -3.552 349 HB2 ALA 43 HB2 ALA 43 -2.386 -10.075 -2.101 350 HB3 ALA 43 HB3 ALA 43 -2.544 -11.388 -3.246 351 H ASP 44 HN ASP 44 -2.516 -8.093 -5.180 352 HA ASP 44 HA ASP 44 -3.294 -9.627 -7.455 353 HB2 ASP 44 HB2 ASP 44 -4.415 -7.475 -6.712 354 HB3 ASP 44 HB1 ASP 44 -2.998 -6.614 -7.307 355 H GLY 45 HN GLY 45 -0.691 -7.459 -6.566 356 HA2 GLY 45 HA2 GLY 45 1.484 -8.183 -7.344 357 HA3 GLY 45 HA1 GLY 45 0.739 -8.380 -8.898 358 H ARG 46 HN ARG 46 -0.729 -5.570 -7.845 359 HA ARG 46 HA ARG 46 0.311 -3.797 -9.529 360 HB2 ARG 46 HB2 ARG 46 -0.484 -3.363 -6.645 361 HB3 ARG 46 HB1 ARG 46 -0.402 -2.098 -7.853 362 HG2 ARG 46 HG2 ARG 46 -2.140 -3.234 -9.166 363 HG3 ARG 46 HG1 ARG 46 -2.203 -4.528 -7.967 364 HD2 ARG 46 HD2 ARG 46 -3.943 -3.052 -7.340 365 HD3 ARG 46 HD1 ARG 46 -2.587 -2.724 -6.239 366 HE ARG 46 HE ARG 46 -2.399 -0.615 -7.183 367 HH11 ARG 46 HH11 ARG 46 -4.405 -2.641 -9.181 368 HH12 ARG 46 HH12 ARG 46 -4.895 -1.347 -10.217 369 HH21 ARG 46 HH21 ARG 46 -3.043 1.065 -8.557 370 HH22 ARG 46 HH22 ARG 46 -4.129 0.742 -9.866 371 H ILE 47 HN ILE 47 1.230 -3.789 -6.149 372 HA ILE 47 HA ILE 47 3.703 -2.425 -6.758 373 HB ILE 47 HB ILE 47 3.668 -1.799 -4.458 374 HG12 ILE 47 HG12 ILE 47 1.149 -3.382 -4.184 375 HG13 ILE 47 HG11 ILE 47 2.687 -4.011 -3.679 376 HG21 ILE 47 HG21 ILE 47 2.214 -0.654 -6.150 377 HG22 ILE 47 HG22 ILE 47 1.635 -0.527 -4.490 378 HG23 ILE 47 HG23 ILE 47 0.889 -1.677 -5.598 379 HD11 ILE 47 HD11 ILE 47 1.617 -2.930 -1.786 380 HD12 ILE 47 HD12 ILE 47 1.379 -1.459 -2.720 381 HD13 ILE 47 HD13 ILE 47 3.007 -1.970 -2.270 382 H THR 48 HN THR 48 3.193 -5.462 -6.891 383 HA THR 48 HA THR 48 4.179 -7.407 -6.039 384 HB THR 48 HB THR 48 5.538 -6.452 -7.878 385 HG1 THR 48 HG1 THR 48 6.806 -8.102 -7.603 386 HG21 THR 48 HG21 THR 48 7.738 -5.422 -7.227 387 HG22 THR 48 HG22 THR 48 7.129 -5.294 -5.581 388 HG23 THR 48 HG23 THR 48 6.334 -4.414 -6.882 389 H GLU 49 HN GLU 49 6.285 -8.149 -4.632 390 HA GLU 49 HA GLU 49 5.666 -7.044 -2.042 391 HB2 GLU 49 HB2 GLU 49 6.974 -8.864 -1.128 392 HB3 GLU 49 HB1 GLU 49 5.932 -9.488 -2.407 393 HG2 GLU 49 HG2 GLU 49 7.823 -9.333 -4.003 394 HG3 GLU 49 HG1 GLU 49 8.862 -8.763 -2.698 395 H GLU 50 HN GLU 50 8.073 -6.303 -4.312 396 HA GLU 50 HA GLU 50 10.254 -5.820 -2.599 397 HB2 GLU 50 HB2 GLU 50 10.439 -5.924 -5.034 398 HB3 GLU 50 HB1 GLU 50 9.514 -4.429 -5.174 399 HG2 GLU 50 HG2 GLU 50 11.234 -3.216 -3.909 400 HG3 GLU 50 HG1 GLU 50 12.156 -4.706 -3.711 401 H GLN 51 HN GLN 51 7.735 -3.557 -3.677 402 HA GLN 51 HA GLN 51 8.789 -1.529 -1.900 403 HB2 GLN 51 HB2 GLN 51 6.953 -0.111 -2.922 404 HB3 GLN 51 HB1 GLN 51 8.255 -0.613 -4.003 405 HG2 GLN 51 HG2 GLN 51 6.936 -2.293 -4.996 406 HG3 GLN 51 HG1 GLN 51 5.721 -2.219 -3.704 407 HE21 GLN 51 HE21 GLN 51 4.779 0.174 -3.489 408 HE22 GLN 51 HE22 GLN 51 4.355 0.914 -4.970 409 H ALA 52 HN ALA 52 6.098 -3.761 -2.244 410 HA ALA 52 HA ALA 52 4.433 -2.557 -0.381 411 HB1 ALA 52 HB1 ALA 52 3.426 -4.107 -1.713 412 HB2 ALA 52 HB2 ALA 52 3.560 -4.941 -0.164 413 HB3 ALA 52 HB3 ALA 52 4.685 -5.311 -1.468 414 H LYS 53 HN LYS 53 7.173 -4.875 -0.155 415 HA LYS 53 HA LYS 53 6.687 -5.166 2.585 416 HB2 LYS 53 HB2 LYS 53 8.624 -6.255 0.746 417 HB3 LYS 53 HB1 LYS 53 9.319 -5.832 2.301 418 HG2 LYS 53 HG2 LYS 53 7.574 -7.052 3.467 419 HG3 LYS 53 HG1 LYS 53 6.799 -7.449 1.916 420 HD2 LYS 53 HD2 LYS 53 8.829 -8.691 1.226 421 HD3 LYS 53 HD1 LYS 53 9.593 -8.296 2.767 422 HE2 LYS 53 HE2 LYS 53 7.806 -9.497 3.968 423 HE3 LYS 53 HE1 LYS 53 7.031 -9.886 2.433 424 HZ1 LYS 53 HZ1 LYS 53 8.278 -11.753 2.804 425 HZ2 LYS 53 HZ2 LYS 53 9.542 -10.909 3.562 426 HZ3 LYS 53 HZ3 LYS 53 9.364 -10.843 1.874 427 H ALA 54 HN ALA 54 8.392 -3.019 0.510 428 HA ALA 54 HA ALA 54 10.079 -1.833 2.451 429 HB1 ALA 54 HB1 ALA 54 9.924 -1.393 -0.145 430 HB2 ALA 54 HB2 ALA 54 10.329 -0.048 0.921 431 HB3 ALA 54 HB3 ALA 54 8.687 -0.216 0.300 432 H TYR 55 HN TYR 55 6.656 -1.421 1.513 433 HA TYR 55 HA TYR 55 6.385 0.655 3.488 434 HB2 TYR 55 HB2 TYR 55 4.941 0.805 1.671 435 HB3 TYR 55 HB1 TYR 55 4.264 -0.810 1.967 436 HD1 TYR 55 HD1 TYR 55 4.921 2.441 3.675 437 HD2 TYR 55 HD2 TYR 55 2.341 -0.968 3.326 438 HE1 TYR 55 HE1 TYR 55 3.393 3.440 5.333 439 HE2 TYR 55 HE2 TYR 55 0.798 0.038 4.990 440 HH TYR 55 HH TYR 55 1.692 2.799 6.874 441 H LYS 56 HN LYS 56 6.186 -2.757 3.515 442 HA LYS 56 HA LYS 56 4.611 -3.069 5.851 443 HB2 LYS 56 HB2 LYS 56 6.386 -4.701 4.217 444 HB3 LYS 56 HB1 LYS 56 6.372 -5.127 5.880 445 HG2 LYS 56 HG2 LYS 56 3.977 -5.442 5.853 446 HG3 LYS 56 HG1 LYS 56 3.884 -4.850 4.194 447 HD2 LYS 56 HD2 LYS 56 3.825 -7.229 4.032 448 HD3 LYS 56 HD1 LYS 56 5.461 -6.762 3.577 449 HE2 LYS 56 HE2 LYS 56 5.585 -8.640 5.121 450 HE3 LYS 56 HE1 LYS 56 6.192 -7.197 5.932 451 HZ1 LYS 56 HZ1 LYS 56 3.374 -8.081 6.145 452 HZ2 LYS 56 HZ2 LYS 56 4.190 -6.945 7.110 453 HZ3 LYS 56 HZ3 LYS 56 4.574 -8.595 7.227 454 H GLU 57 HN GLU 57 7.949 -2.483 5.089 455 HA GLU 57 HA GLU 57 8.654 -2.656 7.810 456 HB2 GLU 57 HB2 GLU 57 10.941 -2.238 7.091 457 HB3 GLU 57 HB1 GLU 57 10.185 -3.572 6.252 458 HG2 GLU 57 HG2 GLU 57 11.304 -2.358 4.583 459 HG3 GLU 57 HG1 GLU 57 9.633 -1.883 4.451 460 H TYR 58 HN TYR 58 7.682 -0.261 5.646 461 HA TYR 58 HA TYR 58 8.817 1.970 6.960 462 HB2 TYR 58 HB2 TYR 58 6.612 1.733 4.965 463 HB3 TYR 58 HB1 TYR 58 6.720 3.189 5.937 464 HD1 TYR 58 HD1 TYR 58 7.820 1.765 2.917 465 HD2 TYR 58 HD2 TYR 58 9.222 4.119 6.222 466 HE1 TYR 58 HE1 TYR 58 9.658 2.652 1.508 467 HE2 TYR 58 HE2 TYR 58 11.057 5.004 4.814 468 HH TYR 58 HH TYR 58 12.284 3.858 2.465 469 H HIS 59 HN HIS 59 5.702 0.398 7.005 470 HA HIS 59 HA HIS 59 4.820 2.024 9.258 471 HB2 HIS 59 HB2 HIS 59 3.226 1.363 7.534 472 HB3 HIS 59 HB1 HIS 59 3.468 -0.333 7.942 473 HD1 HIS 59 HD1 HIS 59 2.483 2.891 9.738 474 HD2 HIS 59 HD2 HIS 59 1.698 -1.196 9.865 475 HE1 HIS 59 HE1 HIS 59 0.728 2.556 11.534 476 HE2 HIS 59 HE2 HIS 59 0.247 0.064 11.631 477 H ASP 60 HN ASP 60 4.603 -1.455 8.959 478 HA ASP 60 HA ASP 60 4.752 -1.915 11.767 479 HB2 ASP 60 HB2 ASP 60 4.882 -3.746 9.392 480 HB3 ASP 60 HB1 ASP 60 4.859 -4.311 11.056 481 H LYS 61 HN LYS 61 7.178 -1.559 9.346 482 HA LYS 61 HA LYS 61 9.435 -1.823 9.461 483 HB2 LYS 61 HB2 LYS 61 10.389 -1.430 11.403 484 HB3 LYS 61 HB1 LYS 61 8.770 -1.333 12.076 485 HG2 LYS 61 HG2 LYS 61 9.024 -3.973 12.227 486 HG3 LYS 61 HG1 LYS 61 10.747 -3.578 12.238 487 HD2 LYS 61 HD2 LYS 61 10.402 -2.050 14.141 488 HD3 LYS 61 HD1 LYS 61 8.678 -2.423 14.136 489 HE2 LYS 61 HE2 LYS 61 9.232 -4.821 14.542 490 HE3 LYS 61 HE1 LYS 61 10.936 -4.381 14.652 491 HZ1 LYS 61 HZ1 LYS 61 8.723 -3.534 16.433 492 HZ2 LYS 61 HZ2 LYS 61 10.246 -2.782 16.439 493 HZ3 LYS 61 HZ3 LYS 61 10.106 -4.427 16.848 494 H ASN 62 HN ASN 62 7.292 -3.754 8.953 495 HA ASN 62 HA ASN 62 7.191 -5.696 7.880 496 HB2 ASN 62 HB2 ASN 62 9.970 -5.502 8.188 497 HB3 ASN 62 HB1 ASN 62 9.570 -7.081 8.847 498 HD21 ASN 62 HD21 ASN 62 10.151 -8.453 7.131 499 HD22 ASN 62 HD22 ASN 62 9.498 -8.307 5.554 500 H GLY 63 HN GLY 63 9.068 -6.990 10.629 501 HA2 GLY 63 HA2 GLY 63 8.429 -8.460 12.288 502 HA3 GLY 63 HA1 GLY 63 7.053 -7.366 12.480 503 H GLY 64 HN GLY 64 5.313 -8.631 12.665 504 HA2 GLY 64 HA2 GLY 64 4.748 -10.539 10.485 505 HA3 GLY 64 HA1 GLY 64 4.543 -11.035 12.162 506 H ALA 65 HN ALA 65 3.836 -7.737 11.473 507 HA ALA 65 HA ALA 65 1.150 -7.963 12.340 508 HB1 ALA 65 HB1 ALA 65 1.065 -5.567 11.254 509 HB2 ALA 65 HB2 ALA 65 2.816 -5.787 11.163 510 HB3 ALA 65 HB3 ALA 65 2.001 -5.856 12.724 511 H ASN 66 HN ASN 66 -0.781 -7.667 11.223 512 HA ASN 66 HA ASN 66 -0.682 -8.444 8.363 513 HB2 ASN 66 HB2 ASN 66 -2.952 -9.348 8.757 514 HB3 ASN 66 HB1 ASN 66 -1.744 -10.106 9.797 515 HD21 ASN 66 HD21 ASN 66 -4.361 -7.685 9.768 516 HD22 ASN 66 HD22 ASN 66 -4.588 -7.680 11.460 517 H ARG 67 HN ARG 67 -0.687 -5.606 9.615 518 HA ARG 67 HA ARG 67 -2.321 -4.517 7.710 519 HB2 ARG 67 HB2 ARG 67 -4.054 -5.173 9.530 520 HB3 ARG 67 HB1 ARG 67 -3.442 -3.704 10.311 521 HG2 ARG 67 HG2 ARG 67 -5.113 -2.788 9.026 522 HG3 ARG 67 HG1 ARG 67 -3.822 -2.691 7.899 523 HD2 ARG 67 HD2 ARG 67 -5.871 -4.871 8.004 524 HD3 ARG 67 HD1 ARG 67 -5.722 -3.608 6.789 525 HE ARG 67 HE ARG 67 -4.189 -6.032 6.911 526 HH11 ARG 67 HH11 ARG 67 -4.073 -2.687 5.977 527 HH12 ARG 67 HH12 ARG 67 -2.860 -2.925 4.770 528 HH21 ARG 67 HH21 ARG 67 -2.563 -6.316 5.339 529 HH22 ARG 67 HH22 ARG 67 -2.002 -4.965 4.413 530 H LYS 68 HN LYS 68 -2.411 -2.390 7.596 531 HA LYS 68 HA LYS 68 -0.613 -0.821 9.130 532 HB2 LYS 68 HB2 LYS 68 0.559 -0.521 6.800 533 HB3 LYS 68 HB1 LYS 68 0.996 -1.843 7.867 534 HG2 LYS 68 HG2 LYS 68 -1.322 -2.584 6.206 535 HG3 LYS 68 HG1 LYS 68 0.046 -2.123 5.273 536 HD2 LYS 68 HD2 LYS 68 0.877 -3.800 7.473 537 HD3 LYS 68 HD1 LYS 68 -0.351 -4.588 6.485 538 HE2 LYS 68 HE2 LYS 68 2.049 -4.954 5.758 539 HE3 LYS 68 HE1 LYS 68 0.962 -4.370 4.520 540 HZ1 LYS 68 HZ1 LYS 68 2.664 -2.581 6.150 541 HZ2 LYS 68 HZ2 LYS 68 1.787 -2.177 4.755 542 HZ3 LYS 68 HZ3 LYS 68 3.136 -3.190 4.643 543 H VAL 69 HN VAL 69 -2.619 -1.336 6.204 544 HA VAL 69 HA VAL 69 -3.391 1.414 6.417 545 HB VAL 69 HB VAL 69 -3.147 1.557 3.878 546 HG11 VAL 69 HG11 VAL 69 -1.569 2.775 5.200 547 HG12 VAL 69 HG12 VAL 69 -0.620 1.832 4.051 548 HG13 VAL 69 HG13 VAL 69 -0.768 1.296 5.714 549 HG21 VAL 69 HG21 VAL 69 -1.331 -0.814 4.414 550 HG22 VAL 69 HG22 VAL 69 -1.666 -0.069 2.857 551 HG23 VAL 69 HG23 VAL 69 -2.931 -0.965 3.696 552 H ASN 70 HN ASN 70 -5.018 -0.486 7.236 553 HA ASN 70 HA ASN 70 -7.276 -0.188 5.579 554 HB2 ASN 70 HB2 ASN 70 -5.403 -2.169 4.813 555 HB3 ASN 70 HB1 ASN 70 -6.856 -2.989 5.403 556 HD21 ASN 70 HD21 ASN 70 -7.678 -3.632 3.477 557 HD22 ASN 70 HD22 ASN 70 -8.042 -2.571 2.219 558 H ASP 71 HN ASP 71 -8.900 -2.198 6.277 559 HA ASP 71 HA ASP 71 -8.506 -3.244 8.874 560 HB2 ASP 71 HB2 ASP 71 -8.571 -0.749 9.351 561 HB3 ASP 71 HB1 ASP 71 -10.249 -0.780 8.803 Start of MODEL 9 1 H1 ASN 1 HT1 ASN 1 20.750 0.862 -7.322 2 H2 ASN 1 HT2 ASN 1 21.533 2.370 -7.371 3 H3 ASN 1 HT3 ASN 1 21.845 1.209 -8.568 4 HA ASN 1 HA ASN 1 20.370 2.979 -9.369 5 HB2 ASN 1 HB2 ASN 1 18.877 0.362 -9.100 6 HB3 ASN 1 HB1 ASN 1 18.815 1.509 -10.436 7 HD21 ASN 1 HD21 ASN 1 21.258 1.928 -11.339 8 HD22 ASN 1 HD22 ASN 1 22.129 0.499 -11.633 9 H LEU 2 HN LEU 2 20.193 2.959 -6.354 10 HA LEU 2 HA LEU 2 17.282 3.392 -6.071 11 HB2 LEU 2 HB2 LEU 2 19.372 2.336 -4.246 12 HB3 LEU 2 HB1 LEU 2 18.134 3.359 -3.521 13 HG LEU 2 HG LEU 2 17.600 0.871 -3.575 14 HD11 LEU 2 HD11 LEU 2 15.917 2.807 -3.440 15 HD12 LEU 2 HD12 LEU 2 15.287 1.253 -3.985 16 HD13 LEU 2 HD13 LEU 2 15.624 2.527 -5.157 17 HD21 LEU 2 HD21 LEU 2 17.030 -0.168 -5.641 18 HD22 LEU 2 HD22 LEU 2 18.553 0.662 -5.962 19 HD23 LEU 2 HD23 LEU 2 17.029 1.368 -6.507 20 H THR 3 HN THR 3 16.540 5.374 -5.611 21 HA THR 3 HA THR 3 18.457 7.431 -4.703 22 HB THR 3 HB THR 3 17.421 9.051 -6.223 23 HG1 THR 3 HG1 THR 3 15.908 6.785 -6.986 24 HG21 THR 3 HG21 THR 3 18.191 8.008 -8.389 25 HG22 THR 3 HG22 THR 3 18.414 6.496 -7.508 26 HG23 THR 3 HG23 THR 3 19.367 7.917 -7.078 27 H LYS 4 HN LYS 4 17.394 9.306 -3.684 28 HA LYS 4 HA LYS 4 14.796 8.567 -2.465 29 HB2 LYS 4 HB2 LYS 4 17.130 10.047 -1.225 30 HB3 LYS 4 HB1 LYS 4 15.560 9.813 -0.454 31 HG2 LYS 4 HG2 LYS 4 15.851 7.363 -0.605 32 HG3 LYS 4 HG1 LYS 4 17.427 7.601 -1.361 33 HD2 LYS 4 HD2 LYS 4 18.226 8.787 0.646 34 HD3 LYS 4 HD1 LYS 4 16.648 8.568 1.406 35 HE2 LYS 4 HE2 LYS 4 18.197 6.846 2.205 36 HE3 LYS 4 HE1 LYS 4 16.930 6.104 1.229 37 HZ1 LYS 4 HZ1 LYS 4 18.408 6.062 -0.651 38 HZ2 LYS 4 HZ2 LYS 4 19.157 5.290 0.665 39 HZ3 LYS 4 HZ3 LYS 4 19.619 6.864 0.225 40 H GLN 5 HN GLN 5 13.197 10.071 -2.518 41 HA GLN 5 HA GLN 5 13.814 12.610 -3.873 42 HB2 GLN 5 HB2 GLN 5 11.159 11.227 -3.438 43 HB3 GLN 5 HB1 GLN 5 11.399 12.729 -4.329 44 HG2 GLN 5 HG2 GLN 5 11.539 11.300 -6.112 45 HG3 GLN 5 HG1 GLN 5 13.216 11.182 -5.585 46 HE21 GLN 5 HE21 GLN 5 11.654 9.073 -6.965 47 HE22 GLN 5 HE22 GLN 5 11.616 7.735 -5.892 48 H LYS 6 HN LYS 6 13.454 11.517 -0.755 49 HA LYS 6 HA LYS 6 12.521 14.180 0.128 50 HB2 LYS 6 HB2 LYS 6 10.711 12.533 0.451 51 HB3 LYS 6 HB1 LYS 6 11.803 11.526 1.397 52 HG2 LYS 6 HG2 LYS 6 12.072 13.328 3.042 53 HG3 LYS 6 HG1 LYS 6 11.018 14.372 2.088 54 HD2 LYS 6 HD2 LYS 6 9.169 12.750 2.366 55 HD3 LYS 6 HD1 LYS 6 10.221 11.729 3.343 56 HE2 LYS 6 HE2 LYS 6 9.485 14.592 4.011 57 HE3 LYS 6 HE1 LYS 6 8.748 13.167 4.740 58 HZ1 LYS 6 HZ1 LYS 6 11.629 13.872 4.847 59 HZ2 LYS 6 HZ2 LYS 6 10.921 12.495 5.547 60 HZ3 LYS 6 HZ3 LYS 6 10.522 14.044 6.119 61 H GLU 7 HN GLU 7 13.965 15.171 1.385 62 HA GLU 7 HA GLU 7 16.178 13.611 2.500 63 HB2 GLU 7 HB2 GLU 7 15.756 16.604 2.345 64 HB3 GLU 7 HB1 GLU 7 17.223 15.798 2.902 65 HG2 GLU 7 HG2 GLU 7 16.013 15.435 0.147 66 HG3 GLU 7 HG1 GLU 7 17.354 16.521 0.509 67 H ALA 8 HN ALA 8 13.562 15.769 3.509 68 HA ALA 8 HA ALA 8 13.034 14.576 5.954 69 HB1 ALA 8 HB1 ALA 8 15.127 15.092 6.878 70 HB2 ALA 8 HB2 ALA 8 14.099 16.403 7.454 71 HB3 ALA 8 HB3 ALA 8 15.190 16.669 6.095 72 H VAL 9 HN VAL 9 13.715 18.019 5.504 73 HA VAL 9 HA VAL 9 11.198 18.891 6.418 74 HB VAL 9 HB VAL 9 13.327 20.270 4.775 75 HG11 VAL 9 HG11 VAL 9 12.075 22.365 5.578 76 HG12 VAL 9 HG12 VAL 9 10.719 21.292 5.928 77 HG13 VAL 9 HG13 VAL 9 11.313 21.452 4.275 78 HG21 VAL 9 HG21 VAL 9 12.504 20.385 7.701 79 HG22 VAL 9 HG22 VAL 9 13.731 21.417 6.963 80 HG23 VAL 9 HG23 VAL 9 13.987 19.674 7.061 81 H ASN 10 HN ASN 10 12.443 18.410 3.121 82 HA ASN 10 HA ASN 10 10.117 19.451 1.840 83 HB2 ASN 10 HB2 ASN 10 11.084 18.475 -0.204 84 HB3 ASN 10 HB1 ASN 10 12.278 19.393 0.710 85 HD21 ASN 10 HD21 ASN 10 13.955 18.048 -0.397 86 HD22 ASN 10 HD22 ASN 10 14.272 16.467 0.183 87 H ASP 11 HN ASP 11 8.946 18.001 0.174 88 HA ASP 11 HA ASP 11 8.005 15.585 1.595 89 HB2 ASP 11 HB2 ASP 11 6.536 17.568 -0.139 90 HB3 ASP 11 HB1 ASP 11 5.860 16.002 0.307 91 H LYS 12 HN LYS 12 6.781 14.090 0.032 92 HA LYS 12 HA LYS 12 6.772 12.635 -1.720 93 HB2 LYS 12 HB2 LYS 12 6.618 14.570 -3.195 94 HB3 LYS 12 HB1 LYS 12 8.373 14.741 -3.178 95 HG2 LYS 12 HG2 LYS 12 8.613 12.494 -4.158 96 HG3 LYS 12 HG1 LYS 12 6.858 12.309 -4.162 97 HD2 LYS 12 HD2 LYS 12 6.650 14.247 -5.670 98 HD3 LYS 12 HD1 LYS 12 8.404 14.440 -5.666 99 HE2 LYS 12 HE2 LYS 12 8.661 12.190 -6.635 100 HE3 LYS 12 HE1 LYS 12 6.909 11.984 -6.634 101 HZ1 LYS 12 HZ1 LYS 12 7.291 12.729 -8.752 102 HZ2 LYS 12 HZ2 LYS 12 8.576 13.743 -8.296 103 HZ3 LYS 12 HZ3 LYS 12 6.972 14.193 -7.959 104 H GLY 13 HN GLY 13 7.797 10.829 -1.516 105 HA2 GLY 13 HA2 GLY 13 10.045 9.819 -2.350 106 HA3 GLY 13 HA1 GLY 13 10.682 10.798 -1.038 107 H LYS 14 HN LYS 14 10.669 10.013 0.970 108 HA LYS 14 HA LYS 14 9.968 7.328 1.474 109 HB2 LYS 14 HB2 LYS 14 10.420 9.657 3.360 110 HB3 LYS 14 HB1 LYS 14 10.209 7.991 3.891 111 HG2 LYS 14 HG2 LYS 14 12.335 8.844 1.910 112 HG3 LYS 14 HG1 LYS 14 12.622 8.725 3.648 113 HD2 LYS 14 HD2 LYS 14 11.852 6.328 3.540 114 HD3 LYS 14 HD1 LYS 14 11.793 6.481 1.785 115 HE2 LYS 14 HE2 LYS 14 14.262 6.989 3.464 116 HE3 LYS 14 HE1 LYS 14 13.939 5.493 2.587 117 HZ1 LYS 14 HZ1 LYS 14 15.061 6.547 0.970 118 HZ2 LYS 14 HZ2 LYS 14 14.739 8.097 1.583 119 HZ3 LYS 14 HZ3 LYS 14 13.568 7.286 0.659 120 H ALA 15 HN ALA 15 8.347 10.401 1.845 121 HA ALA 15 HA ALA 15 6.038 9.398 3.202 122 HB1 ALA 15 HB1 ALA 15 6.889 11.934 1.880 123 HB2 ALA 15 HB2 ALA 15 6.264 11.672 3.515 124 HB3 ALA 15 HB3 ALA 15 5.157 11.682 2.140 125 H ALA 16 HN ALA 16 5.975 11.029 0.047 126 HA ALA 16 HA ALA 16 3.675 10.037 -0.909 127 HB1 ALA 16 HB1 ALA 16 6.147 10.645 -2.515 128 HB2 ALA 16 HB2 ALA 16 4.883 11.784 -2.053 129 HB3 ALA 16 HB3 ALA 16 4.524 10.481 -3.185 130 H VAL 17 HN VAL 17 6.817 8.336 -1.176 131 HA VAL 17 HA VAL 17 5.835 6.333 -2.922 132 HB VAL 17 HB VAL 17 8.004 6.160 -0.830 133 HG11 VAL 17 HG11 VAL 17 6.939 4.187 -2.861 134 HG12 VAL 17 HG12 VAL 17 7.216 3.945 -1.135 135 HG13 VAL 17 HG13 VAL 17 8.588 4.084 -2.232 136 HG21 VAL 17 HG21 VAL 17 8.169 6.218 -3.852 137 HG22 VAL 17 HG22 VAL 17 9.495 6.380 -2.702 138 HG23 VAL 17 HG23 VAL 17 8.302 7.668 -2.858 139 H VAL 18 HN VAL 18 5.935 6.593 0.603 140 HA VAL 18 HA VAL 18 4.779 4.081 1.127 141 HB VAL 18 HB VAL 18 4.753 6.672 2.677 142 HG11 VAL 18 HG11 VAL 18 2.913 5.706 3.642 143 HG12 VAL 18 HG12 VAL 18 4.145 4.829 4.544 144 HG13 VAL 18 HG13 VAL 18 3.369 4.078 3.151 145 HG21 VAL 18 HG21 VAL 18 6.531 5.734 3.922 146 HG22 VAL 18 HG22 VAL 18 6.904 5.225 2.276 147 HG23 VAL 18 HG23 VAL 18 6.151 4.095 3.401 148 H LYS 19 HN LYS 19 3.421 7.315 0.671 149 HA LYS 19 HA LYS 19 0.778 6.675 1.189 150 HB2 LYS 19 HB2 LYS 19 2.115 8.870 -0.334 151 HB3 LYS 19 HB1 LYS 19 0.367 8.724 -0.384 152 HG2 LYS 19 HG2 LYS 19 1.614 10.190 1.491 153 HG3 LYS 19 HG1 LYS 19 0.111 9.341 1.824 154 HD2 LYS 19 HD2 LYS 19 1.205 7.619 3.006 155 HD3 LYS 19 HD1 LYS 19 2.773 8.004 2.308 156 HE2 LYS 19 HE2 LYS 19 2.902 10.065 3.573 157 HE3 LYS 19 HE1 LYS 19 1.247 9.861 4.149 158 HZ1 LYS 19 HZ1 LYS 19 3.308 7.811 4.663 159 HZ2 LYS 19 HZ2 LYS 19 1.846 8.079 5.487 160 HZ3 LYS 19 HZ3 LYS 19 3.144 9.157 5.681 161 H VAL 20 HN VAL 20 2.529 6.476 -1.942 162 HA VAL 20 HA VAL 20 0.139 5.990 -3.343 163 HB VAL 20 HB VAL 20 1.560 4.851 -5.068 164 HG11 VAL 20 HG11 VAL 20 2.699 6.918 -5.721 165 HG12 VAL 20 HG12 VAL 20 2.538 7.546 -4.080 166 HG13 VAL 20 HG13 VAL 20 1.101 7.287 -5.071 167 HG21 VAL 20 HG21 VAL 20 3.934 4.800 -4.804 168 HG22 VAL 20 HG22 VAL 20 3.270 4.074 -3.345 169 HG23 VAL 20 HG23 VAL 20 3.856 5.736 -3.315 170 H VAL 21 HN VAL 21 2.335 3.938 -1.562 171 HA VAL 21 HA VAL 21 1.098 1.479 -2.227 172 HB VAL 21 HB VAL 21 2.814 2.315 0.107 173 HG11 VAL 21 HG11 VAL 21 1.495 -0.295 -0.580 174 HG12 VAL 21 HG12 VAL 21 1.816 0.424 0.994 175 HG13 VAL 21 HG13 VAL 21 3.123 -0.326 0.093 176 HG21 VAL 21 HG21 VAL 21 3.288 0.880 -2.515 177 HG22 VAL 21 HG22 VAL 21 4.470 0.911 -1.207 178 HG23 VAL 21 HG23 VAL 21 3.984 2.413 -1.989 179 H GLU 22 HN GLU 22 0.671 3.709 0.586 180 HA GLU 22 HA GLU 22 -1.428 2.051 1.762 181 HB2 GLU 22 HB2 GLU 22 -0.784 5.002 2.177 182 HB3 GLU 22 HB1 GLU 22 -1.824 4.016 3.197 183 HG2 GLU 22 HG2 GLU 22 0.078 2.574 3.764 184 HG3 GLU 22 HG1 GLU 22 1.125 3.525 2.709 185 H SER 23 HN SER 23 -1.605 5.336 0.579 186 HA SER 23 HA SER 23 -4.241 5.565 0.129 187 HB2 SER 23 HB2 SER 23 -2.518 7.352 -0.140 188 HB3 SER 23 HB1 SER 23 -2.225 6.730 -1.761 189 HG SER 23 HG SER 23 -4.234 8.293 -0.840 190 H GLN 24 HN GLN 24 -2.439 3.259 -1.577 191 HA GLN 24 HA GLN 24 -4.098 3.298 -4.005 192 HB2 GLN 24 HB2 GLN 24 -1.826 2.560 -4.425 193 HB3 GLN 24 HB1 GLN 24 -1.889 1.426 -3.077 194 HG2 GLN 24 HG2 GLN 24 -3.678 0.162 -4.250 195 HG3 GLN 24 HG1 GLN 24 -3.577 1.289 -5.591 196 HE21 GLN 24 HE21 GLN 24 -3.095 -1.548 -5.799 197 HE22 GLN 24 HE22 GLN 24 -1.454 -1.783 -6.245 198 H ALA 25 HN ALA 25 -3.134 1.111 -1.507 199 HA ALA 25 HA ALA 25 -5.424 -0.561 -1.710 200 HB1 ALA 25 HB1 ALA 25 -2.913 -0.822 -0.680 201 HB2 ALA 25 HB2 ALA 25 -4.189 -2.016 -0.586 202 HB3 ALA 25 HB3 ALA 25 -3.941 -0.881 0.741 203 H GLU 26 HN GLU 26 -4.925 2.360 -0.162 204 HA GLU 26 HA GLU 26 -6.582 1.949 2.133 205 HB2 GLU 26 HB2 GLU 26 -5.397 3.936 2.322 206 HB3 GLU 26 HB1 GLU 26 -5.590 4.322 0.617 207 HG2 GLU 26 HG2 GLU 26 -7.912 4.882 0.901 208 HG3 GLU 26 HG1 GLU 26 -7.921 4.231 2.532 209 H LEU 27 HN LEU 27 -6.972 3.265 -1.173 210 HA LEU 27 HA LEU 27 -9.758 3.460 -0.807 211 HB2 LEU 27 HB2 LEU 27 -8.191 3.203 -3.299 212 HB3 LEU 27 HB1 LEU 27 -9.966 3.086 -3.202 213 HG LEU 27 HG LEU 27 -10.173 5.332 -2.409 214 HD11 LEU 27 HD11 LEU 27 -7.233 5.070 -1.828 215 HD12 LEU 27 HD12 LEU 27 -8.524 5.705 -0.813 216 HD13 LEU 27 HD13 LEU 27 -7.900 6.674 -2.141 217 HD21 LEU 27 HD21 LEU 27 -7.941 5.397 -4.460 218 HD22 LEU 27 HD22 LEU 27 -9.193 6.616 -4.214 219 HD23 LEU 27 HD23 LEU 27 -9.621 5.028 -4.849 220 H TYR 28 HN TYR 28 -7.649 0.808 -1.473 221 HA TYR 28 HA TYR 28 -9.642 -0.730 -2.637 222 HB2 TYR 28 HB2 TYR 28 -7.408 -1.643 -0.818 223 HB3 TYR 28 HB1 TYR 28 -8.540 -2.677 -1.669 224 HD1 TYR 28 HD1 TYR 28 -5.925 -3.308 -2.370 225 HD2 TYR 28 HD2 TYR 28 -8.299 -0.045 -3.871 226 HE1 TYR 28 HE1 TYR 28 -4.539 -3.229 -4.420 227 HE2 TYR 28 HE2 TYR 28 -6.911 0.020 -5.914 228 HH TYR 28 HH TYR 28 -4.787 -0.642 -6.713 229 H SER 29 HN SER 29 -8.754 -0.232 0.673 230 HA SER 29 HA SER 29 -10.924 -1.610 1.848 231 HB2 SER 29 HB2 SER 29 -9.089 0.534 2.875 232 HB3 SER 29 HB1 SER 29 -10.349 -0.228 3.861 233 HG SER 29 HG SER 29 -9.361 -2.144 3.668 234 H LEU 30 HN LEU 30 -10.700 1.469 0.286 235 HA LEU 30 HA LEU 30 -12.914 2.683 1.576 236 HB2 LEU 30 HB2 LEU 30 -11.396 4.093 0.301 237 HB3 LEU 30 HB1 LEU 30 -11.742 3.186 -1.153 238 HG LEU 30 HG LEU 30 -12.939 5.471 -0.779 239 HD11 LEU 30 HD11 LEU 30 -14.660 4.811 -2.205 240 HD12 LEU 30 HD12 LEU 30 -14.870 3.252 -1.415 241 HD13 LEU 30 HD13 LEU 30 -13.477 3.530 -2.461 242 HD21 LEU 30 HD21 LEU 30 -13.663 4.649 1.593 243 HD22 LEU 30 HD22 LEU 30 -14.940 3.792 0.732 244 HD23 LEU 30 HD23 LEU 30 -14.827 5.547 0.620 245 H GLU 31 HN GLU 31 -12.326 0.762 -1.267 246 HA GLU 31 HA GLU 31 -15.118 0.332 -1.779 247 HB2 GLU 31 HB2 GLU 31 -13.857 0.530 -3.768 248 HB3 GLU 31 HB1 GLU 31 -12.543 -0.452 -3.135 249 HG2 GLU 31 HG2 GLU 31 -14.163 -1.481 -4.908 250 HG3 GLU 31 HG1 GLU 31 -13.697 -2.467 -3.524 251 H LYS 32 HN LYS 32 -12.698 -2.162 -1.957 252 HA LYS 32 HA LYS 32 -13.498 -4.465 -1.089 253 HB2 LYS 32 HB2 LYS 32 -11.070 -3.194 0.194 254 HB3 LYS 32 HB1 LYS 32 -11.330 -4.901 -0.118 255 HG2 LYS 32 HG2 LYS 32 -11.771 -3.682 -2.591 256 HG3 LYS 32 HG1 LYS 32 -10.396 -2.832 -1.951 257 HD2 LYS 32 HD2 LYS 32 -10.666 -5.810 -2.398 258 HD3 LYS 32 HD1 LYS 32 -9.567 -4.708 -3.219 259 HE2 LYS 32 HE2 LYS 32 -8.925 -4.337 -0.537 260 HE3 LYS 32 HE1 LYS 32 -9.275 -6.058 -0.654 261 HZ1 LYS 32 HZ1 LYS 32 -6.918 -5.055 -1.244 262 HZ2 LYS 32 HZ2 LYS 32 -7.645 -4.920 -2.773 263 HZ3 LYS 32 HZ3 LYS 32 -7.537 -6.435 -2.010 264 H ASN 33 HN ASN 33 -12.975 -1.863 1.232 265 HA ASN 33 HA ASN 33 -13.996 -1.420 3.263 266 HB2 ASN 33 HB2 ASN 33 -15.120 -4.228 3.244 267 HB3 ASN 33 HB1 ASN 33 -15.626 -2.866 4.242 268 HD21 ASN 33 HD21 ASN 33 -16.442 -4.549 1.445 269 HD22 ASN 33 HD22 ASN 33 -17.350 -3.320 0.667 270 H GLU 34 HN GLU 34 -13.009 -4.901 3.250 271 HA GLU 34 HA GLU 34 -10.899 -4.221 5.129 272 HB2 GLU 34 HB2 GLU 34 -12.970 -5.002 6.377 273 HB3 GLU 34 HB1 GLU 34 -12.769 -6.557 5.570 274 HG2 GLU 34 HG2 GLU 34 -10.466 -5.295 7.043 275 HG3 GLU 34 HG1 GLU 34 -11.682 -6.222 7.917 276 H ASP 35 HN ASP 35 -9.084 -5.212 4.587 277 HA ASP 35 HA ASP 35 -8.907 -7.806 3.496 278 HB2 ASP 35 HB2 ASP 35 -9.840 -6.932 1.505 279 HB3 ASP 35 HB1 ASP 35 -8.809 -5.497 1.581 280 H ALA 36 HN ALA 36 -7.618 -4.750 4.225 281 HA ALA 36 HA ALA 36 -5.127 -4.352 3.627 282 HB1 ALA 36 HB1 ALA 36 -6.558 -3.363 5.455 283 HB2 ALA 36 HB2 ALA 36 -4.830 -3.343 5.689 284 HB3 ALA 36 HB3 ALA 36 -5.820 -4.544 6.518 285 H SER 37 HN SER 37 -3.308 -4.943 3.565 286 HA SER 37 HA SER 37 -1.619 -6.241 5.011 287 HB2 SER 37 HB2 SER 37 -3.518 -8.274 3.931 288 HB3 SER 37 HB1 SER 37 -1.796 -8.639 4.034 289 HG SER 37 HG SER 37 -2.287 -9.094 6.038 290 H LEU 38 HN LEU 38 -0.042 -5.430 3.776 291 HA LEU 38 HA LEU 38 0.107 -5.144 1.030 292 HB2 LEU 38 HB2 LEU 38 2.222 -5.569 3.132 293 HB3 LEU 38 HB1 LEU 38 2.577 -5.160 1.452 294 HG LEU 38 HG LEU 38 0.768 -3.529 3.185 295 HD11 LEU 38 HD11 LEU 38 3.527 -2.586 2.560 296 HD12 LEU 38 HD12 LEU 38 3.410 -3.873 3.745 297 HD13 LEU 38 HD13 LEU 38 2.582 -2.379 4.015 298 HD21 LEU 38 HD21 LEU 38 2.053 -3.243 0.483 299 HD22 LEU 38 HD22 LEU 38 1.527 -1.834 1.378 300 HD23 LEU 38 HD23 LEU 38 0.359 -3.063 0.913 301 H ARG 39 HN ARG 39 0.477 -7.793 3.104 302 HA ARG 39 HA ARG 39 2.114 -9.342 1.479 303 HB2 ARG 39 HB2 ARG 39 0.202 -10.502 3.422 304 HB3 ARG 39 HB1 ARG 39 1.899 -10.912 3.167 305 HG2 ARG 39 HG2 ARG 39 2.231 -8.369 3.972 306 HG3 ARG 39 HG1 ARG 39 0.673 -8.668 4.781 307 HD2 ARG 39 HD2 ARG 39 2.567 -10.871 5.147 308 HD3 ARG 39 HD1 ARG 39 3.254 -9.327 5.679 309 HE ARG 39 HE ARG 39 0.597 -9.599 6.659 310 HH11 ARG 39 HH11 ARG 39 3.818 -10.855 7.084 311 HH12 ARG 39 HH12 ARG 39 3.578 -11.248 8.750 312 HH21 ARG 39 HH21 ARG 39 0.304 -10.121 8.842 313 HH22 ARG 39 HH22 ARG 39 1.599 -10.835 9.743 314 H LYS 40 HN LYS 40 -1.252 -9.276 2.134 315 HA LYS 40 HA LYS 40 -1.919 -11.223 0.166 316 HB2 LYS 40 HB2 LYS 40 -3.207 -9.618 2.190 317 HB3 LYS 40 HB1 LYS 40 -4.215 -10.186 0.840 318 HG2 LYS 40 HG2 LYS 40 -4.116 -11.834 2.744 319 HG3 LYS 40 HG1 LYS 40 -3.528 -12.489 1.213 320 HD2 LYS 40 HD2 LYS 40 -1.223 -12.146 1.855 321 HD3 LYS 40 HD1 LYS 40 -1.712 -11.235 3.276 322 HE2 LYS 40 HE2 LYS 40 -2.766 -13.244 4.235 323 HE3 LYS 40 HE1 LYS 40 -2.336 -14.164 2.795 324 HZ1 LYS 40 HZ1 LYS 40 -0.820 -14.055 4.977 325 HZ2 LYS 40 HZ2 LYS 40 -0.150 -12.762 4.101 326 HZ3 LYS 40 HZ3 LYS 40 -0.197 -14.320 3.423 327 H LEU 41 HN LEU 41 -2.523 -7.650 0.241 328 HA LEU 41 HA LEU 41 -3.961 -7.763 -2.187 329 HB2 LEU 41 HB2 LEU 41 -3.343 -5.308 -2.363 330 HB3 LEU 41 HB1 LEU 41 -4.192 -5.766 -0.889 331 HG LEU 41 HG LEU 41 -1.421 -6.111 -0.368 332 HD11 LEU 41 HD11 LEU 41 -0.666 -3.772 -0.772 333 HD12 LEU 41 HD12 LEU 41 -2.123 -3.501 -1.725 334 HD13 LEU 41 HD13 LEU 41 -0.931 -4.678 -2.254 335 HD21 LEU 41 HD21 LEU 41 -3.344 -5.425 1.121 336 HD22 LEU 41 HD22 LEU 41 -3.176 -3.808 0.437 337 HD23 LEU 41 HD23 LEU 41 -1.841 -4.536 1.331 338 H GLN 42 HN GLN 42 -0.598 -7.071 -1.383 339 HA GLN 42 HA GLN 42 0.341 -6.865 -3.973 340 HB2 GLN 42 HB2 GLN 42 1.553 -6.116 -2.119 341 HB3 GLN 42 HB1 GLN 42 1.424 -7.656 -1.358 342 HG2 GLN 42 HG2 GLN 42 2.665 -8.215 -3.758 343 HG3 GLN 42 HG1 GLN 42 3.346 -6.713 -3.173 344 HE21 GLN 42 HE21 GLN 42 2.018 -9.501 -1.424 345 HE22 GLN 42 HE22 GLN 42 3.368 -9.725 -0.427 346 H ALA 43 HN ALA 43 -0.003 -9.644 -1.659 347 HA ALA 43 HA ALA 43 1.103 -11.703 -2.731 348 HB1 ALA 43 HB1 ALA 43 -1.856 -11.693 -2.566 349 HB2 ALA 43 HB2 ALA 43 -0.796 -11.853 -1.173 350 HB3 ALA 43 HB3 ALA 43 -0.808 -13.094 -2.411 351 H ASP 44 HN ASP 44 -1.827 -10.353 -4.062 352 HA ASP 44 HA ASP 44 -1.935 -11.899 -6.481 353 HB2 ASP 44 HB2 ASP 44 -3.909 -10.783 -5.417 354 HB3 ASP 44 HB1 ASP 44 -3.248 -9.231 -5.924 355 H GLY 45 HN GLY 45 -0.803 -8.668 -5.670 356 HA2 GLY 45 HA2 GLY 45 1.250 -7.941 -6.717 357 HA3 GLY 45 HA1 GLY 45 0.661 -8.608 -8.206 358 H ARG 46 HN ARG 46 -1.519 -6.786 -6.165 359 HA ARG 46 HA ARG 46 -2.250 -4.824 -8.078 360 HB2 ARG 46 HB2 ARG 46 -2.160 -4.723 -5.049 361 HB3 ARG 46 HB1 ARG 46 -2.795 -3.427 -6.026 362 HG2 ARG 46 HG2 ARG 46 -4.775 -4.494 -5.887 363 HG3 ARG 46 HG1 ARG 46 -4.093 -5.604 -7.075 364 HD2 ARG 46 HD2 ARG 46 -3.696 -7.229 -5.539 365 HD3 ARG 46 HD1 ARG 46 -3.301 -6.067 -4.260 366 HE ARG 46 HE ARG 46 -5.566 -6.046 -3.662 367 HH11 ARG 46 HH11 ARG 46 -5.127 -7.660 -6.722 368 HH12 ARG 46 HH12 ARG 46 -6.740 -8.278 -6.767 369 HH21 ARG 46 HH21 ARG 46 -7.672 -6.871 -3.744 370 HH22 ARG 46 HH22 ARG 46 -8.175 -7.834 -5.092 371 H ILE 47 HN ILE 47 0.009 -5.120 -5.553 372 HA ILE 47 HA ILE 47 1.855 -3.139 -6.673 373 HB ILE 47 HB ILE 47 2.434 -2.426 -4.483 374 HG12 ILE 47 HG12 ILE 47 0.563 -4.546 -3.476 375 HG13 ILE 47 HG11 ILE 47 2.305 -4.658 -3.417 376 HG21 ILE 47 HG21 ILE 47 0.366 -1.485 -3.751 377 HG22 ILE 47 HG22 ILE 47 -0.555 -2.797 -4.493 378 HG23 ILE 47 HG23 ILE 47 0.287 -1.612 -5.505 379 HD11 ILE 47 HD11 ILE 47 1.372 -3.856 -1.278 380 HD12 ILE 47 HD12 ILE 47 0.620 -2.495 -2.099 381 HD13 ILE 47 HD13 ILE 47 2.380 -2.621 -2.024 382 H THR 48 HN THR 48 3.810 -3.903 -7.044 383 HA THR 48 HA THR 48 4.254 -6.659 -6.970 384 HB THR 48 HB THR 48 5.247 -4.909 -8.458 385 HG1 THR 48 HG1 THR 48 6.683 -6.382 -8.942 386 HG21 THR 48 HG21 THR 48 7.497 -4.710 -6.500 387 HG22 THR 48 HG22 THR 48 6.109 -3.646 -6.293 388 HG23 THR 48 HG23 THR 48 7.038 -3.600 -7.787 389 H GLU 49 HN GLU 49 6.510 -7.394 -5.972 390 HA GLU 49 HA GLU 49 6.001 -7.575 -3.244 391 HB2 GLU 49 HB2 GLU 49 8.472 -8.219 -4.835 392 HB3 GLU 49 HB1 GLU 49 8.326 -8.571 -3.114 393 HG2 GLU 49 HG2 GLU 49 6.411 -10.004 -3.506 394 HG3 GLU 49 HG1 GLU 49 6.368 -9.549 -5.209 395 H GLU 50 HN GLU 50 8.239 -5.564 -4.973 396 HA GLU 50 HA GLU 50 9.688 -4.519 -2.867 397 HB2 GLU 50 HB2 GLU 50 8.779 -3.243 -5.457 398 HB3 GLU 50 HB1 GLU 50 9.908 -2.458 -4.350 399 HG2 GLU 50 HG2 GLU 50 10.304 -5.168 -5.658 400 HG3 GLU 50 HG1 GLU 50 11.114 -3.677 -6.129 401 H GLN 51 HN GLN 51 8.032 -1.892 -4.044 402 HA GLN 51 HA GLN 51 7.317 -0.350 -2.215 403 HB2 GLN 51 HB2 GLN 51 4.909 -0.205 -3.226 404 HB3 GLN 51 HB1 GLN 51 6.329 0.192 -4.188 405 HG2 GLN 51 HG2 GLN 51 6.329 -1.890 -5.282 406 HG3 GLN 51 HG1 GLN 51 5.206 -2.612 -4.116 407 HE21 GLN 51 HE21 GLN 51 4.876 -2.360 -7.083 408 HE22 GLN 51 HE22 GLN 51 3.438 -1.456 -7.300 409 H ALA 52 HN ALA 52 5.692 -3.513 -2.246 410 HA ALA 52 HA ALA 52 3.930 -2.894 -0.058 411 HB1 ALA 52 HB1 ALA 52 3.671 -4.430 -2.062 412 HB2 ALA 52 HB2 ALA 52 2.988 -4.921 -0.520 413 HB3 ALA 52 HB3 ALA 52 4.524 -5.603 -1.070 414 H LYS 53 HN LYS 53 6.641 -4.776 -0.713 415 HA LYS 53 HA LYS 53 7.072 -5.671 1.981 416 HB2 LYS 53 HB2 LYS 53 8.046 -6.902 0.047 417 HB3 LYS 53 HB1 LYS 53 9.158 -5.542 -0.183 418 HG2 LYS 53 HG2 LYS 53 9.968 -5.773 2.106 419 HG3 LYS 53 HG1 LYS 53 8.804 -7.074 2.368 420 HD2 LYS 53 HD2 LYS 53 9.911 -8.438 0.635 421 HD3 LYS 53 HD1 LYS 53 11.063 -7.135 0.341 422 HE2 LYS 53 HE2 LYS 53 11.865 -7.309 2.665 423 HE3 LYS 53 HE1 LYS 53 10.707 -8.603 2.971 424 HZ1 LYS 53 HZ1 LYS 53 11.782 -9.967 1.348 425 HZ2 LYS 53 HZ2 LYS 53 12.961 -9.404 2.432 426 HZ3 LYS 53 HZ3 LYS 53 12.820 -8.707 0.889 427 H ALA 54 HN ALA 54 8.215 -3.255 -0.082 428 HA ALA 54 HA ALA 54 10.093 -1.934 1.603 429 HB1 ALA 54 HB1 ALA 54 10.403 -1.009 -0.466 430 HB2 ALA 54 HB2 ALA 54 9.111 0.098 0.000 431 HB3 ALA 54 HB3 ALA 54 8.744 -1.331 -0.966 432 H TYR 55 HN TYR 55 6.554 -1.690 1.150 433 HA TYR 55 HA TYR 55 6.541 0.455 3.129 434 HB2 TYR 55 HB2 TYR 55 4.956 0.744 1.410 435 HB3 TYR 55 HB1 TYR 55 4.266 -0.869 1.684 436 HD1 TYR 55 HD1 TYR 55 5.108 2.185 3.741 437 HD2 TYR 55 HD2 TYR 55 2.268 -0.864 2.846 438 HE1 TYR 55 HE1 TYR 55 3.603 3.094 5.485 439 HE2 TYR 55 HE2 TYR 55 0.756 0.032 4.592 440 HH TYR 55 HH TYR 55 1.174 1.454 6.827 441 H LYS 56 HN LYS 56 6.475 -2.930 3.086 442 HA LYS 56 HA LYS 56 4.984 -3.393 5.450 443 HB2 LYS 56 HB2 LYS 56 7.026 -4.888 3.872 444 HB3 LYS 56 HB1 LYS 56 6.849 -5.323 5.535 445 HG2 LYS 56 HG2 LYS 56 4.424 -5.697 5.164 446 HG3 LYS 56 HG1 LYS 56 4.652 -5.300 3.468 447 HD2 LYS 56 HD2 LYS 56 4.704 -7.685 3.600 448 HD3 LYS 56 HD1 LYS 56 6.372 -7.162 3.370 449 HE2 LYS 56 HE2 LYS 56 6.809 -7.379 5.765 450 HE3 LYS 56 HE1 LYS 56 5.121 -7.794 6.059 451 HZ1 LYS 56 HZ1 LYS 56 6.682 -9.374 4.136 452 HZ2 LYS 56 HZ2 LYS 56 5.359 -9.841 5.093 453 HZ3 LYS 56 HZ3 LYS 56 6.894 -9.651 5.796 454 H GLU 57 HN GLU 57 8.359 -2.856 4.615 455 HA GLU 57 HA GLU 57 9.218 -2.610 7.306 456 HB2 GLU 57 HB2 GLU 57 11.364 -2.102 6.285 457 HB3 GLU 57 HB1 GLU 57 10.612 -3.480 5.531 458 HG2 GLU 57 HG2 GLU 57 9.867 -2.094 3.686 459 HG3 GLU 57 HG1 GLU 57 10.549 -0.667 4.459 460 H TYR 58 HN TYR 58 7.795 -0.396 5.057 461 HA TYR 58 HA TYR 58 9.020 1.941 6.245 462 HB2 TYR 58 HB2 TYR 58 6.557 1.759 4.542 463 HB3 TYR 58 HB1 TYR 58 7.229 3.256 5.134 464 HD1 TYR 58 HD1 TYR 58 6.850 2.632 2.201 465 HD2 TYR 58 HD2 TYR 58 10.201 1.972 4.812 466 HE1 TYR 58 HE1 TYR 58 8.388 2.717 0.260 467 HE2 TYR 58 HE2 TYR 58 11.730 2.059 2.871 468 HH TYR 58 HH TYR 58 11.570 1.662 0.387 469 H HIS 59 HN HIS 59 6.145 0.076 6.574 470 HA HIS 59 HA HIS 59 4.929 1.641 8.627 471 HB2 HIS 59 HB2 HIS 59 3.607 0.468 6.923 472 HB3 HIS 59 HB1 HIS 59 4.221 -1.073 7.511 473 HD1 HIS 59 HD1 HIS 59 2.386 1.965 8.919 474 HD2 HIS 59 HD2 HIS 59 2.622 -2.159 9.477 475 HE1 HIS 59 HE1 HIS 59 0.634 1.376 10.650 476 HE2 HIS 59 HE2 HIS 59 0.764 -1.136 10.999 477 H ASP 60 HN ASP 60 6.744 -1.439 8.456 478 HA ASP 60 HA ASP 60 6.209 -2.249 11.113 479 HB2 ASP 60 HB2 ASP 60 6.885 -3.787 9.268 480 HB3 ASP 60 HB1 ASP 60 8.487 -3.057 9.294 481 H LYS 61 HN LYS 61 9.005 -0.790 9.473 482 HA LYS 61 HA LYS 61 10.548 -0.544 11.804 483 HB2 LYS 61 HB2 LYS 61 10.500 1.249 9.371 484 HB3 LYS 61 HB1 LYS 61 11.796 1.187 10.571 485 HG2 LYS 61 HG2 LYS 61 10.849 -1.174 8.971 486 HG3 LYS 61 HG1 LYS 61 12.248 -0.190 8.521 487 HD2 LYS 61 HD2 LYS 61 13.237 -0.717 10.787 488 HD3 LYS 61 HD1 LYS 61 11.911 -1.852 11.038 489 HE2 LYS 61 HE2 LYS 61 13.850 -1.962 8.714 490 HE3 LYS 61 HE1 LYS 61 13.953 -2.970 10.156 491 HZ1 LYS 61 HZ1 LYS 61 12.763 -4.316 8.770 492 HZ2 LYS 61 HZ2 LYS 61 11.983 -3.028 7.983 493 HZ3 LYS 61 HZ3 LYS 61 11.492 -3.498 9.538 494 H ASN 62 HN ASN 62 8.142 1.350 10.264 495 HA ASN 62 HA ASN 62 8.173 3.615 11.855 496 HB2 ASN 62 HB2 ASN 62 7.010 3.833 9.906 497 HB3 ASN 62 HB1 ASN 62 6.250 2.258 10.087 498 HD21 ASN 62 HD21 ASN 62 6.190 5.630 11.272 499 HD22 ASN 62 HD22 ASN 62 4.597 5.555 11.902 500 H GLY 63 HN GLY 63 6.560 0.509 12.139 501 HA2 GLY 63 HA2 GLY 63 6.283 -0.407 14.421 502 HA3 GLY 63 HA1 GLY 63 5.690 1.192 14.890 503 H GLY 64 HN GLY 64 4.765 -1.901 13.892 504 HA2 GLY 64 HA2 GLY 64 2.045 -1.554 14.159 505 HA3 GLY 64 HA1 GLY 64 2.366 -1.237 12.464 506 H ALA 65 HN ALA 65 0.825 -3.144 12.386 507 HA ALA 65 HA ALA 65 2.385 -5.632 12.119 508 HB1 ALA 65 HB1 ALA 65 0.852 -5.365 14.287 509 HB2 ALA 65 HB2 ALA 65 0.972 -6.901 13.430 510 HB3 ALA 65 HB3 ALA 65 -0.410 -5.843 13.154 511 H ASN 66 HN ASN 66 -0.375 -6.945 11.543 512 HA ASN 66 HA ASN 66 -0.396 -6.944 8.752 513 HB2 ASN 66 HB2 ASN 66 -3.022 -7.322 9.147 514 HB3 ASN 66 HB1 ASN 66 -1.818 -8.560 9.588 515 HD21 ASN 66 HD21 ASN 66 -4.077 -6.181 10.885 516 HD22 ASN 66 HD22 ASN 66 -3.923 -6.658 12.515 517 H ARG 67 HN ARG 67 -2.447 -6.266 7.580 518 HA ARG 67 HA ARG 67 -3.787 -4.734 6.703 519 HB2 ARG 67 HB2 ARG 67 -4.963 -3.664 8.261 520 HB3 ARG 67 HB1 ARG 67 -3.606 -3.642 9.348 521 HG2 ARG 67 HG2 ARG 67 -2.958 -1.525 8.768 522 HG3 ARG 67 HG1 ARG 67 -3.407 -1.734 7.096 523 HD2 ARG 67 HD2 ARG 67 -4.803 -0.118 8.469 524 HD3 ARG 67 HD1 ARG 67 -5.656 -1.318 7.481 525 HE ARG 67 HE ARG 67 -5.271 -2.506 9.970 526 HH11 ARG 67 HH11 ARG 67 -6.724 0.451 8.836 527 HH12 ARG 67 HH12 ARG 67 -7.923 0.485 10.081 528 HH21 ARG 67 HH21 ARG 67 -6.880 -2.466 11.561 529 HH22 ARG 67 HH22 ARG 67 -8.012 -1.153 11.621 530 H LYS 68 HN LYS 68 -1.119 -3.101 8.260 531 HA LYS 68 HA LYS 68 0.300 -1.487 7.506 532 HB2 LYS 68 HB2 LYS 68 0.773 -2.259 4.854 533 HB3 LYS 68 HB1 LYS 68 1.768 -2.591 6.258 534 HG2 LYS 68 HG2 LYS 68 -0.566 -4.331 5.403 535 HG3 LYS 68 HG1 LYS 68 1.086 -4.579 4.914 536 HD2 LYS 68 HD2 LYS 68 0.268 -4.474 7.822 537 HD3 LYS 68 HD1 LYS 68 0.389 -5.973 6.903 538 HE2 LYS 68 HE2 LYS 68 2.772 -5.418 6.389 539 HE3 LYS 68 HE1 LYS 68 2.637 -4.014 7.444 540 HZ1 LYS 68 HZ1 LYS 68 3.510 -6.251 8.375 541 HZ2 LYS 68 HZ2 LYS 68 1.863 -6.659 8.458 542 HZ3 LYS 68 HZ3 LYS 68 2.452 -5.309 9.305 543 H VAL 69 HN VAL 69 -1.340 -2.314 4.418 544 HA VAL 69 HA VAL 69 -1.943 0.498 4.254 545 HB VAL 69 HB VAL 69 -2.422 0.044 1.847 546 HG11 VAL 69 HG11 VAL 69 -0.118 -0.293 1.196 547 HG12 VAL 69 HG12 VAL 69 0.258 -0.977 2.776 548 HG13 VAL 69 HG13 VAL 69 -0.159 0.727 2.631 549 HG21 VAL 69 HG21 VAL 69 -1.928 -2.134 0.963 550 HG22 VAL 69 HG22 VAL 69 -3.019 -2.360 2.328 551 HG23 VAL 69 HG23 VAL 69 -1.298 -2.681 2.514 552 H ASN 70 HN ASN 70 -4.181 0.287 2.452 553 HA ASN 70 HA ASN 70 -6.477 -0.005 2.592 554 HB2 ASN 70 HB2 ASN 70 -5.215 -2.448 3.597 555 HB3 ASN 70 HB1 ASN 70 -6.928 -2.317 3.873 556 HD21 ASN 70 HD21 ASN 70 -4.548 -3.224 1.678 557 HD22 ASN 70 HD22 ASN 70 -5.507 -3.323 0.287 558 H ASP 71 HN ASP 71 -8.075 -1.194 4.680 559 HA ASP 71 HA ASP 71 -7.482 -0.345 7.269 560 HB2 ASP 71 HB2 ASP 71 -7.358 1.923 6.647 561 HB3 ASP 71 HB1 ASP 71 -8.718 1.779 5.534 Start of MODEL 10 1 H1 ASN 1 HT1 ASN 1 16.613 -12.068 -7.105 2 H2 ASN 1 HT2 ASN 1 18.091 -12.183 -6.272 3 H3 ASN 1 HT3 ASN 1 17.243 -10.711 -6.308 4 HA ASN 1 HA ASN 1 15.462 -11.631 -5.009 5 HB2 ASN 1 HB2 ASN 1 15.995 -13.983 -4.023 6 HB3 ASN 1 HB1 ASN 1 15.339 -13.884 -5.657 7 HD21 ASN 1 HD21 ASN 1 16.387 -15.498 -6.844 8 HD22 ASN 1 HD22 ASN 1 18.068 -15.756 -6.855 9 H LEU 2 HN LEU 2 16.466 -9.873 -3.879 10 HA LEU 2 HA LEU 2 18.545 -10.683 -1.940 11 HB2 LEU 2 HB2 LEU 2 19.237 -8.835 -3.382 12 HB3 LEU 2 HB1 LEU 2 17.787 -7.930 -2.954 13 HG LEU 2 HG LEU 2 18.516 -7.899 -0.584 14 HD11 LEU 2 HD11 LEU 2 20.889 -9.394 -1.724 15 HD12 LEU 2 HD12 LEU 2 19.807 -9.918 -0.433 16 HD13 LEU 2 HD13 LEU 2 20.929 -8.585 -0.158 17 HD21 LEU 2 HD21 LEU 2 20.573 -6.449 -0.952 18 HD22 LEU 2 HD22 LEU 2 19.156 -5.994 -1.901 19 HD23 LEU 2 HD23 LEU 2 20.475 -6.886 -2.659 20 H THR 3 HN THR 3 17.894 -10.974 0.085 21 HA THR 3 HA THR 3 15.466 -9.559 1.016 22 HB THR 3 HB THR 3 15.112 -11.489 2.525 23 HG1 THR 3 HG1 THR 3 17.065 -12.394 2.745 24 HG21 THR 3 HG21 THR 3 13.901 -11.494 0.446 25 HG22 THR 3 HG22 THR 3 14.517 -13.128 0.694 26 HG23 THR 3 HG23 THR 3 15.322 -12.044 -0.442 27 H LYS 4 HN LYS 4 18.589 -9.147 1.226 28 HA LYS 4 HA LYS 4 18.554 -8.626 4.136 29 HB2 LYS 4 HB2 LYS 4 20.843 -9.608 2.430 30 HB3 LYS 4 HB1 LYS 4 21.015 -9.061 4.099 31 HG2 LYS 4 HG2 LYS 4 19.409 -10.793 4.828 32 HG3 LYS 4 HG1 LYS 4 19.249 -11.342 3.159 33 HD2 LYS 4 HD2 LYS 4 21.660 -11.871 3.096 34 HD3 LYS 4 HD1 LYS 4 21.822 -11.325 4.765 35 HE2 LYS 4 HE2 LYS 4 20.232 -13.063 5.494 36 HE3 LYS 4 HE1 LYS 4 20.058 -13.608 3.825 37 HZ1 LYS 4 HZ1 LYS 4 22.670 -13.721 4.022 38 HZ2 LYS 4 HZ2 LYS 4 21.682 -15.014 4.513 39 HZ3 LYS 4 HZ3 LYS 4 22.305 -13.933 5.666 40 H GLN 5 HN GLN 5 19.843 -6.865 4.864 41 HA GLN 5 HA GLN 5 20.800 -4.781 4.809 42 HB2 GLN 5 HB2 GLN 5 20.918 -4.999 1.796 43 HB3 GLN 5 HB1 GLN 5 21.840 -3.919 2.835 44 HG2 GLN 5 HG2 GLN 5 22.052 -6.938 2.729 45 HG3 GLN 5 HG1 GLN 5 23.269 -5.773 2.215 46 HE21 GLN 5 HE21 GLN 5 22.794 -7.879 4.637 47 HE22 GLN 5 HE22 GLN 5 23.474 -7.008 5.951 48 H LYS 6 HN LYS 6 19.968 -2.778 4.879 49 HA LYS 6 HA LYS 6 17.747 -2.014 3.145 50 HB2 LYS 6 HB2 LYS 6 16.300 -1.442 5.071 51 HB3 LYS 6 HB1 LYS 6 16.619 -3.176 4.984 52 HG2 LYS 6 HG2 LYS 6 18.486 -2.858 6.628 53 HG3 LYS 6 HG1 LYS 6 17.998 -1.172 6.792 54 HD2 LYS 6 HD2 LYS 6 16.126 -3.503 7.279 55 HD3 LYS 6 HD1 LYS 6 17.049 -2.714 8.559 56 HE2 LYS 6 HE2 LYS 6 15.995 -0.546 7.952 57 HE3 LYS 6 HE1 LYS 6 15.030 -1.378 6.733 58 HZ1 LYS 6 HZ1 LYS 6 14.852 -1.509 9.656 59 HZ2 LYS 6 HZ2 LYS 6 14.418 -2.884 8.758 60 HZ3 LYS 6 HZ3 LYS 6 13.612 -1.410 8.503 61 H GLU 7 HN GLU 7 17.214 0.292 3.370 62 HA GLU 7 HA GLU 7 19.187 1.896 4.840 63 HB2 GLU 7 HB2 GLU 7 20.149 1.565 2.602 64 HB3 GLU 7 HB1 GLU 7 18.674 2.204 1.874 65 HG2 GLU 7 HG2 GLU 7 19.018 4.349 3.023 66 HG3 GLU 7 HG1 GLU 7 20.474 3.716 3.789 67 H ALA 8 HN ALA 8 18.403 3.793 5.603 68 HA ALA 8 HA ALA 8 15.906 4.877 4.511 69 HB1 ALA 8 HB1 ALA 8 15.297 3.318 6.377 70 HB2 ALA 8 HB2 ALA 8 14.829 4.992 6.671 71 HB3 ALA 8 HB3 ALA 8 16.254 4.322 7.466 72 H VAL 9 HN VAL 9 15.789 7.084 4.640 73 HA VAL 9 HA VAL 9 17.799 8.489 6.276 74 HB VAL 9 HB VAL 9 18.281 10.015 4.411 75 HG11 VAL 9 HG11 VAL 9 19.769 8.117 4.751 76 HG12 VAL 9 HG12 VAL 9 19.558 8.371 3.019 77 HG13 VAL 9 HG13 VAL 9 18.694 7.065 3.829 78 HG21 VAL 9 HG21 VAL 9 16.153 9.744 3.192 79 HG22 VAL 9 HG22 VAL 9 16.572 8.071 2.818 80 HG23 VAL 9 HG23 VAL 9 17.519 9.393 2.134 81 H ASN 10 HN ASN 10 17.333 10.838 6.463 82 HA ASN 10 HA ASN 10 14.523 11.228 7.050 83 HB2 ASN 10 HB2 ASN 10 16.862 13.136 7.289 84 HB3 ASN 10 HB1 ASN 10 15.257 13.375 7.977 85 HD21 ASN 10 HD21 ASN 10 18.182 12.728 9.086 86 HD22 ASN 10 HD22 ASN 10 17.848 11.533 10.269 87 H ASP 11 HN ASP 11 13.948 10.969 4.709 88 HA ASP 11 HA ASP 11 13.565 13.574 3.508 89 HB2 ASP 11 HB2 ASP 11 15.861 12.650 2.725 90 HB3 ASP 11 HB1 ASP 11 14.906 11.509 1.780 91 H LYS 12 HN LYS 12 12.304 13.313 1.391 92 HA LYS 12 HA LYS 12 10.223 11.372 1.962 93 HB2 LYS 12 HB2 LYS 12 9.951 13.165 -0.401 94 HB3 LYS 12 HB1 LYS 12 8.785 12.718 0.826 95 HG2 LYS 12 HG2 LYS 12 10.073 14.115 2.482 96 HG3 LYS 12 HG1 LYS 12 11.025 14.717 1.124 97 HD2 LYS 12 HD2 LYS 12 8.984 15.554 0.040 98 HD3 LYS 12 HD1 LYS 12 8.010 14.927 1.370 99 HE2 LYS 12 HE2 LYS 12 9.239 16.392 2.948 100 HE3 LYS 12 HE1 LYS 12 10.167 17.046 1.598 101 HZ1 LYS 12 HZ1 LYS 12 8.288 18.464 2.165 102 HZ2 LYS 12 HZ2 LYS 12 7.213 17.176 1.885 103 HZ3 LYS 12 HZ3 LYS 12 8.116 17.824 0.603 104 H GLY 13 HN GLY 13 9.553 11.442 -1.092 105 HA2 GLY 13 HA2 GLY 13 10.175 10.222 -3.000 106 HA3 GLY 13 HA1 GLY 13 11.636 9.715 -2.166 107 H LYS 14 HN LYS 14 11.466 8.192 -0.418 108 HA LYS 14 HA LYS 14 9.830 5.994 -1.089 109 HB2 LYS 14 HB2 LYS 14 10.524 5.050 1.045 110 HB3 LYS 14 HB1 LYS 14 11.917 5.850 0.321 111 HG2 LYS 14 HG2 LYS 14 11.470 7.860 1.704 112 HG3 LYS 14 HG1 LYS 14 10.110 7.026 2.455 113 HD2 LYS 14 HD2 LYS 14 11.616 5.292 3.317 114 HD3 LYS 14 HD1 LYS 14 12.987 6.074 2.528 115 HE2 LYS 14 HE2 LYS 14 12.917 6.715 4.891 116 HE3 LYS 14 HE1 LYS 14 12.572 8.119 3.881 117 HZ1 LYS 14 HZ1 LYS 14 10.387 6.423 4.905 118 HZ2 LYS 14 HZ2 LYS 14 10.332 8.042 4.394 119 HZ3 LYS 14 HZ3 LYS 14 11.058 7.641 5.876 120 H ALA 15 HN ALA 15 9.527 8.838 0.899 121 HA ALA 15 HA ALA 15 7.213 8.185 2.349 122 HB1 ALA 15 HB1 ALA 15 8.379 10.768 1.346 123 HB2 ALA 15 HB2 ALA 15 8.362 10.143 2.999 124 HB3 ALA 15 HB3 ALA 15 6.872 10.740 2.265 125 H ALA 16 HN ALA 16 7.487 9.961 -0.805 126 HA ALA 16 HA ALA 16 4.776 10.137 -1.273 127 HB1 ALA 16 HB1 ALA 16 6.730 9.882 -3.516 128 HB2 ALA 16 HB2 ALA 16 6.846 11.269 -2.433 129 HB3 ALA 16 HB3 ALA 16 5.364 10.984 -3.344 130 H VAL 17 HN VAL 17 7.127 7.705 -1.839 131 HA VAL 17 HA VAL 17 5.636 6.040 -3.606 132 HB VAL 17 HB VAL 17 7.899 5.451 -1.699 133 HG11 VAL 17 HG11 VAL 17 6.669 3.436 -1.964 134 HG12 VAL 17 HG12 VAL 17 8.049 3.342 -3.057 135 HG13 VAL 17 HG13 VAL 17 6.444 3.726 -3.688 136 HG21 VAL 17 HG21 VAL 17 7.893 5.465 -4.720 137 HG22 VAL 17 HG22 VAL 17 9.278 5.520 -3.632 138 HG23 VAL 17 HG23 VAL 17 8.224 6.923 -3.787 139 H VAL 18 HN VAL 18 6.072 6.257 -0.149 140 HA VAL 18 HA VAL 18 4.449 4.092 0.608 141 HB VAL 18 HB VAL 18 5.193 6.646 2.023 142 HG11 VAL 18 HG11 VAL 18 3.305 6.138 3.217 143 HG12 VAL 18 HG12 VAL 18 4.437 5.067 4.040 144 HG13 VAL 18 HG13 VAL 18 3.362 4.431 2.794 145 HG21 VAL 18 HG21 VAL 18 6.075 3.890 2.816 146 HG22 VAL 18 HG22 VAL 18 6.926 5.418 2.994 147 HG23 VAL 18 HG23 VAL 18 6.847 4.630 1.422 148 H LYS 19 HN LYS 19 3.885 7.443 -0.020 149 HA LYS 19 HA LYS 19 1.222 7.608 0.824 150 HB2 LYS 19 HB2 LYS 19 2.855 9.216 -1.108 151 HB3 LYS 19 HB1 LYS 19 1.137 9.533 -0.941 152 HG2 LYS 19 HG2 LYS 19 3.076 10.705 0.607 153 HG3 LYS 19 HG1 LYS 19 1.398 10.536 1.093 154 HD2 LYS 19 HD2 LYS 19 1.861 8.688 2.493 155 HD3 LYS 19 HD1 LYS 19 3.405 8.356 1.718 156 HE2 LYS 19 HE2 LYS 19 4.380 10.363 2.657 157 HE3 LYS 19 HE1 LYS 19 2.815 10.877 3.287 158 HZ1 LYS 19 HZ1 LYS 19 4.397 9.735 4.888 159 HZ2 LYS 19 HZ2 LYS 19 4.036 8.296 4.059 160 HZ3 LYS 19 HZ3 LYS 19 2.802 9.161 4.847 161 H VAL 20 HN VAL 20 2.493 6.631 -2.391 162 HA VAL 20 HA VAL 20 -0.116 6.501 -3.508 163 HB VAL 20 HB VAL 20 1.622 6.581 -5.125 164 HG11 VAL 20 HG11 VAL 20 3.463 5.685 -3.871 165 HG12 VAL 20 HG12 VAL 20 3.232 4.653 -5.281 166 HG13 VAL 20 HG13 VAL 20 2.650 4.130 -3.704 167 HG21 VAL 20 HG21 VAL 20 1.038 4.689 -6.493 168 HG22 VAL 20 HG22 VAL 20 -0.386 5.048 -5.521 169 HG23 VAL 20 HG23 VAL 20 0.667 3.694 -5.077 170 H VAL 21 HN VAL 21 1.910 4.135 -1.835 171 HA VAL 21 HA VAL 21 0.040 2.044 -2.359 172 HB VAL 21 HB VAL 21 1.337 0.729 -0.760 173 HG11 VAL 21 HG11 VAL 21 3.169 2.296 -2.570 174 HG12 VAL 21 HG12 VAL 21 2.022 1.097 -3.166 175 HG13 VAL 21 HG13 VAL 21 3.322 0.608 -2.082 176 HG21 VAL 21 HG21 VAL 21 3.402 1.730 0.210 177 HG22 VAL 21 HG22 VAL 21 1.943 2.469 0.860 178 HG23 VAL 21 HG23 VAL 21 2.875 3.297 -0.382 179 H GLU 22 HN GLU 22 0.744 3.980 0.606 180 HA GLU 22 HA GLU 22 -1.346 2.901 2.180 181 HB2 GLU 22 HB2 GLU 22 -0.243 5.743 2.079 182 HB3 GLU 22 HB1 GLU 22 -1.365 5.154 3.309 183 HG2 GLU 22 HG2 GLU 22 0.232 3.440 3.983 184 HG3 GLU 22 HG1 GLU 22 1.330 3.951 2.703 185 H SER 23 HN SER 23 -1.300 5.163 -0.518 186 HA SER 23 HA SER 23 -3.993 5.932 -0.172 187 HB2 SER 23 HB2 SER 23 -1.983 6.096 -2.374 188 HB3 SER 23 HB1 SER 23 -3.680 6.179 -2.834 189 HG SER 23 HG SER 23 -3.723 8.127 -2.063 190 H GLN 24 HN GLN 24 -3.266 4.253 -3.241 191 HA GLN 24 HA GLN 24 -5.157 2.727 -3.724 192 HB2 GLN 24 HB2 GLN 24 -3.108 2.451 -4.900 193 HB3 GLN 24 HB1 GLN 24 -2.376 1.677 -3.497 194 HG2 GLN 24 HG2 GLN 24 -3.943 -0.204 -3.689 195 HG3 GLN 24 HG1 GLN 24 -4.739 0.583 -5.048 196 HE21 GLN 24 HE21 GLN 24 -2.494 -1.763 -4.328 197 HE22 GLN 24 HE22 GLN 24 -1.594 -1.727 -5.784 198 H ALA 25 HN ALA 25 -3.014 1.603 -1.258 199 HA ALA 25 HA ALA 25 -4.481 -0.719 -0.638 200 HB1 ALA 25 HB1 ALA 25 -2.703 -1.088 0.473 201 HB2 ALA 25 HB2 ALA 25 -3.088 0.134 1.652 202 HB3 ALA 25 HB3 ALA 25 -2.121 0.516 0.249 203 H GLU 26 HN GLU 26 -4.405 2.438 1.025 204 HA GLU 26 HA GLU 26 -6.208 1.986 3.029 205 HB2 GLU 26 HB2 GLU 26 -5.512 4.206 3.013 206 HB3 GLU 26 HB1 GLU 26 -5.804 4.379 1.278 207 HG2 GLU 26 HG2 GLU 26 -8.204 4.378 1.592 208 HG3 GLU 26 HG1 GLU 26 -8.029 3.909 3.274 209 H LEU 27 HN LEU 27 -6.772 2.677 -0.329 210 HA LEU 27 HA LEU 27 -9.552 2.495 -0.139 211 HB2 LEU 27 HB2 LEU 27 -7.812 2.146 -2.512 212 HB3 LEU 27 HB1 LEU 27 -9.578 2.057 -2.473 213 HG LEU 27 HG LEU 27 -9.723 4.381 -1.700 214 HD11 LEU 27 HD11 LEU 27 -7.768 4.700 -0.372 215 HD12 LEU 27 HD12 LEU 27 -7.526 5.740 -1.770 216 HD13 LEU 27 HD13 LEU 27 -6.701 4.183 -1.673 217 HD21 LEU 27 HD21 LEU 27 -8.983 5.460 -3.726 218 HD22 LEU 27 HD22 LEU 27 -9.490 3.826 -4.153 219 HD23 LEU 27 HD23 LEU 27 -7.773 4.208 -4.005 220 H TYR 28 HN TYR 28 -7.051 0.075 -0.795 221 HA TYR 28 HA TYR 28 -8.504 -1.926 -1.783 222 HB2 TYR 28 HB2 TYR 28 -6.270 -1.928 0.010 223 HB3 TYR 28 HB1 TYR 28 -7.463 -3.083 0.558 224 HD1 TYR 28 HD1 TYR 28 -6.609 -1.960 -2.906 225 HD2 TYR 28 HD2 TYR 28 -6.692 -5.216 -0.107 226 HE1 TYR 28 HE1 TYR 28 -5.943 -3.524 -4.705 227 HE2 TYR 28 HE2 TYR 28 -6.029 -6.772 -1.919 228 HH TYR 28 HH TYR 28 -4.873 -6.686 -4.084 229 H SER 29 HN SER 29 -8.394 -1.509 1.703 230 HA SER 29 HA SER 29 -10.721 -2.717 2.523 231 HB2 SER 29 HB2 SER 29 -9.454 -0.136 3.370 232 HB3 SER 29 HB1 SER 29 -11.033 -0.593 4.028 233 HG SER 29 HG SER 29 -10.136 -2.533 4.733 234 H LEU 30 HN LEU 30 -10.801 0.861 1.828 235 HA LEU 30 HA LEU 30 -13.379 1.356 1.571 236 HB2 LEU 30 HB2 LEU 30 -11.696 3.032 1.032 237 HB3 LEU 30 HB1 LEU 30 -11.355 2.195 -0.476 238 HG LEU 30 HG LEU 30 -13.687 2.581 -1.219 239 HD11 LEU 30 HD11 LEU 30 -15.008 4.279 0.151 240 HD12 LEU 30 HD12 LEU 30 -13.860 3.987 1.457 241 HD13 LEU 30 HD13 LEU 30 -14.873 2.672 0.863 242 HD21 LEU 30 HD21 LEU 30 -13.442 4.936 -1.688 243 HD22 LEU 30 HD22 LEU 30 -11.822 4.236 -1.662 244 HD23 LEU 30 HD23 LEU 30 -12.404 5.162 -0.279 245 H GLU 31 HN GLU 31 -11.745 0.557 -1.480 246 HA GLU 31 HA GLU 31 -14.075 -0.254 -2.738 247 HB2 GLU 31 HB2 GLU 31 -12.386 -1.607 -4.250 248 HB3 GLU 31 HB1 GLU 31 -12.406 0.152 -4.277 249 HG2 GLU 31 HG2 GLU 31 -10.491 0.292 -2.865 250 HG3 GLU 31 HG1 GLU 31 -10.532 -1.420 -2.518 251 H LYS 32 HN LYS 32 -11.614 -2.773 -2.447 252 HA LYS 32 HA LYS 32 -12.509 -5.143 -2.211 253 HB2 LYS 32 HB2 LYS 32 -11.214 -3.928 0.239 254 HB3 LYS 32 HB1 LYS 32 -11.262 -5.628 -0.147 255 HG2 LYS 32 HG2 LYS 32 -10.179 -3.840 -2.262 256 HG3 LYS 32 HG1 LYS 32 -9.183 -4.046 -0.827 257 HD2 LYS 32 HD2 LYS 32 -10.344 -6.327 -2.458 258 HD3 LYS 32 HD1 LYS 32 -8.701 -5.714 -2.645 259 HE2 LYS 32 HE2 LYS 32 -8.470 -6.129 -0.093 260 HE3 LYS 32 HE1 LYS 32 -9.925 -7.109 -0.271 261 HZ1 LYS 32 HZ1 LYS 32 -7.782 -7.583 -2.190 262 HZ2 LYS 32 HZ2 LYS 32 -8.857 -8.680 -1.466 263 HZ3 LYS 32 HZ3 LYS 32 -7.513 -8.108 -0.601 264 H ASN 33 HN ASN 33 -12.932 -3.223 0.692 265 HA ASN 33 HA ASN 33 -14.653 -2.898 2.147 266 HB2 ASN 33 HB2 ASN 33 -16.117 -4.235 -0.012 267 HB3 ASN 33 HB1 ASN 33 -16.787 -4.523 1.588 268 HD21 ASN 33 HD21 ASN 33 -16.330 -2.135 -0.925 269 HD22 ASN 33 HD22 ASN 33 -17.127 -0.852 -0.110 270 H GLU 34 HN GLU 34 -13.105 -3.909 3.525 271 HA GLU 34 HA GLU 34 -13.027 -5.059 5.545 272 HB2 GLU 34 HB2 GLU 34 -14.755 -7.191 4.266 273 HB3 GLU 34 HB1 GLU 34 -14.186 -7.170 5.928 274 HG2 GLU 34 HG2 GLU 34 -15.905 -4.992 4.709 275 HG3 GLU 34 HG1 GLU 34 -16.521 -6.311 5.690 276 H ASP 35 HN ASP 35 -10.958 -4.876 4.143 277 HA ASP 35 HA ASP 35 -9.717 -7.444 4.354 278 HB2 ASP 35 HB2 ASP 35 -10.964 -7.262 2.095 279 HB3 ASP 35 HB1 ASP 35 -9.601 -6.203 1.680 280 H ALA 36 HN ALA 36 -7.505 -7.369 4.370 281 HA ALA 36 HA ALA 36 -5.924 -5.275 5.168 282 HB1 ALA 36 HB1 ALA 36 -4.149 -6.474 3.663 283 HB2 ALA 36 HB2 ALA 36 -5.390 -7.736 3.594 284 HB3 ALA 36 HB3 ALA 36 -4.745 -7.222 5.153 285 H SER 37 HN SER 37 -4.061 -4.586 3.856 286 HA SER 37 HA SER 37 -4.938 -3.568 1.276 287 HB2 SER 37 HB2 SER 37 -3.168 -1.749 2.358 288 HB3 SER 37 HB1 SER 37 -4.902 -1.540 2.188 289 HG SER 37 HG SER 37 -3.497 -2.706 4.364 290 H LEU 38 HN LEU 38 -1.895 -2.957 2.869 291 HA LEU 38 HA LEU 38 -0.147 -3.303 1.013 292 HB2 LEU 38 HB2 LEU 38 0.177 -2.723 3.414 293 HB3 LEU 38 HB1 LEU 38 0.161 -4.448 3.779 294 HG LEU 38 HG LEU 38 2.394 -3.189 3.413 295 HD11 LEU 38 HD11 LEU 38 1.708 -5.913 2.485 296 HD12 LEU 38 HD12 LEU 38 2.585 -5.420 3.912 297 HD13 LEU 38 HD13 LEU 38 3.350 -5.319 2.330 298 HD21 LEU 38 HD21 LEU 38 1.827 -3.961 0.581 299 HD22 LEU 38 HD22 LEU 38 3.231 -3.094 1.192 300 HD23 LEU 38 HD23 LEU 38 1.653 -2.314 1.177 301 H ARG 39 HN ARG 39 -1.242 -6.123 2.907 302 HA ARG 39 HA ARG 39 0.497 -7.789 1.343 303 HB2 ARG 39 HB2 ARG 39 -1.599 -8.933 3.075 304 HB3 ARG 39 HB1 ARG 39 0.011 -9.546 2.718 305 HG2 ARG 39 HG2 ARG 39 0.727 -7.188 3.800 306 HG3 ARG 39 HG1 ARG 39 -0.777 -7.442 4.683 307 HD2 ARG 39 HD2 ARG 39 1.380 -9.549 4.437 308 HD3 ARG 39 HD1 ARG 39 1.347 -8.376 5.755 309 HE ARG 39 HE ARG 39 -1.180 -9.611 5.615 310 HH11 ARG 39 HH11 ARG 39 2.138 -10.428 6.292 311 HH12 ARG 39 HH12 ARG 39 1.730 -11.719 7.367 312 HH21 ARG 39 HH21 ARG 39 -1.692 -11.306 7.026 313 HH22 ARG 39 HH22 ARG 39 -0.427 -12.215 7.783 314 H LYS 40 HN LYS 40 -2.824 -7.153 1.547 315 HA LYS 40 HA LYS 40 -3.493 -9.125 -0.358 316 HB2 LYS 40 HB2 LYS 40 -4.887 -6.916 0.957 317 HB3 LYS 40 HB1 LYS 40 -5.610 -7.706 -0.448 318 HG2 LYS 40 HG2 LYS 40 -6.188 -8.658 1.914 319 HG3 LYS 40 HG1 LYS 40 -5.793 -9.785 0.628 320 HD2 LYS 40 HD2 LYS 40 -3.488 -9.988 1.471 321 HD3 LYS 40 HD1 LYS 40 -3.818 -8.786 2.709 322 HE2 LYS 40 HE2 LYS 40 -5.296 -11.419 2.440 323 HE3 LYS 40 HE1 LYS 40 -3.954 -11.143 3.549 324 HZ1 LYS 40 HZ1 LYS 40 -5.232 -9.386 4.602 325 HZ2 LYS 40 HZ2 LYS 40 -6.083 -10.856 4.649 326 HZ3 LYS 40 HZ3 LYS 40 -6.522 -9.651 3.535 327 H LEU 41 HN LEU 41 -2.134 -5.953 -0.788 328 HA LEU 41 HA LEU 41 -3.264 -5.613 -3.450 329 HB2 LEU 41 HB2 LEU 41 -0.554 -4.532 -2.778 330 HB3 LEU 41 HB1 LEU 41 -1.857 -3.767 -3.678 331 HG LEU 41 HG LEU 41 -1.612 -4.071 -0.683 332 HD11 LEU 41 HD11 LEU 41 -0.600 -2.100 -0.863 333 HD12 LEU 41 HD12 LEU 41 -2.107 -1.406 -1.455 334 HD13 LEU 41 HD13 LEU 41 -0.914 -2.013 -2.591 335 HD21 LEU 41 HD21 LEU 41 -3.972 -4.404 -1.166 336 HD22 LEU 41 HD22 LEU 41 -3.942 -3.161 -2.413 337 HD23 LEU 41 HD23 LEU 41 -3.809 -2.707 -0.718 338 H GLN 42 HN GLN 42 -0.290 -6.378 -1.890 339 HA GLN 42 HA GLN 42 1.258 -7.430 -3.845 340 HB2 GLN 42 HB2 GLN 42 0.864 -7.736 -0.958 341 HB3 GLN 42 HB1 GLN 42 1.752 -9.009 -1.709 342 HG2 GLN 42 HG2 GLN 42 3.332 -7.503 -2.650 343 HG3 GLN 42 HG1 GLN 42 2.359 -6.109 -2.099 344 HE21 GLN 42 HE21 GLN 42 1.699 -6.712 0.422 345 HE22 GLN 42 HE22 GLN 42 3.047 -7.010 1.402 346 H ALA 43 HN ALA 43 -1.221 -9.075 -1.895 347 HA ALA 43 HA ALA 43 -1.104 -11.577 -2.685 348 HB1 ALA 43 HB1 ALA 43 -3.549 -9.925 -2.610 349 HB2 ALA 43 HB2 ALA 43 -2.835 -10.769 -1.239 350 HB3 ALA 43 HB3 ALA 43 -3.550 -11.680 -2.571 351 H ASP 44 HN ASP 44 -2.699 -8.947 -4.393 352 HA ASP 44 HA ASP 44 -2.735 -10.518 -6.913 353 HB2 ASP 44 HB2 ASP 44 -4.920 -9.467 -5.926 354 HB3 ASP 44 HB1 ASP 44 -4.224 -7.929 -6.441 355 H GLY 45 HN GLY 45 -0.447 -9.810 -6.129 356 HA2 GLY 45 HA2 GLY 45 1.289 -8.218 -6.051 357 HA3 GLY 45 HA1 GLY 45 1.201 -8.879 -7.635 358 H ARG 46 HN ARG 46 -1.072 -6.434 -6.516 359 HA ARG 46 HA ARG 46 -0.772 -4.679 -8.646 360 HB2 ARG 46 HB2 ARG 46 -1.262 -3.850 -5.775 361 HB3 ARG 46 HB1 ARG 46 -1.720 -2.973 -7.229 362 HG2 ARG 46 HG2 ARG 46 -3.228 -4.797 -7.857 363 HG3 ARG 46 HG1 ARG 46 -2.753 -5.693 -6.412 364 HD2 ARG 46 HD2 ARG 46 -4.731 -4.568 -5.800 365 HD3 ARG 46 HD1 ARG 46 -3.398 -3.631 -5.082 366 HE ARG 46 HE ARG 46 -3.929 -1.895 -6.547 367 HH11 ARG 46 HH11 ARG 46 -5.556 -4.811 -7.522 368 HH12 ARG 46 HH12 ARG 46 -6.540 -4.013 -8.699 369 HH21 ARG 46 HH21 ARG 46 -5.227 -0.866 -8.087 370 HH22 ARG 46 HH22 ARG 46 -6.355 -1.792 -9.021 371 H ILE 47 HN ILE 47 0.382 -3.689 -5.537 372 HA ILE 47 HA ILE 47 2.694 -2.379 -6.593 373 HB ILE 47 HB ILE 47 3.035 -1.551 -4.349 374 HG12 ILE 47 HG12 ILE 47 0.565 -3.060 -3.599 375 HG13 ILE 47 HG11 ILE 47 2.144 -3.696 -3.267 376 HG21 ILE 47 HG21 ILE 47 0.182 -1.543 -5.246 377 HG22 ILE 47 HG22 ILE 47 1.445 -0.498 -5.884 378 HG23 ILE 47 HG23 ILE 47 0.932 -0.346 -4.203 379 HD11 ILE 47 HD11 ILE 47 2.654 -1.484 -2.103 380 HD12 ILE 47 HD12 ILE 47 1.421 -2.456 -1.303 381 HD13 ILE 47 HD13 ILE 47 0.943 -1.072 -2.299 382 H THR 48 HN THR 48 2.789 -5.168 -6.911 383 HA THR 48 HA THR 48 3.983 -7.081 -6.279 384 HB THR 48 HB THR 48 5.166 -5.748 -7.981 385 HG1 THR 48 HG1 THR 48 6.240 -7.562 -7.707 386 HG21 THR 48 HG21 THR 48 5.694 -3.737 -6.811 387 HG22 THR 48 HG22 THR 48 7.232 -4.513 -7.183 388 HG23 THR 48 HG23 THR 48 6.568 -4.609 -5.556 389 H GLU 49 HN GLU 49 5.807 -8.018 -4.958 390 HA GLU 49 HA GLU 49 5.477 -7.031 -2.268 391 HB2 GLU 49 HB2 GLU 49 7.020 -9.417 -3.315 392 HB3 GLU 49 HB1 GLU 49 6.778 -9.054 -1.607 393 HG2 GLU 49 HG2 GLU 49 4.334 -9.205 -1.919 394 HG3 GLU 49 HG1 GLU 49 4.572 -9.564 -3.625 395 H GLU 50 HN GLU 50 7.384 -6.023 -4.600 396 HA GLU 50 HA GLU 50 9.902 -5.897 -3.173 397 HB2 GLU 50 HB2 GLU 50 9.867 -6.038 -5.626 398 HB3 GLU 50 HB1 GLU 50 9.028 -4.487 -5.701 399 HG2 GLU 50 HG2 GLU 50 10.924 -3.387 -4.592 400 HG3 GLU 50 HG1 GLU 50 11.760 -4.934 -4.462 401 H GLN 51 HN GLN 51 7.404 -3.538 -4.123 402 HA GLN 51 HA GLN 51 8.635 -1.505 -2.461 403 HB2 GLN 51 HB2 GLN 51 6.894 -0.032 -3.443 404 HB3 GLN 51 HB1 GLN 51 7.946 -0.776 -4.651 405 HG2 GLN 51 HG2 GLN 51 6.318 -2.309 -5.316 406 HG3 GLN 51 HG1 GLN 51 5.386 -2.120 -3.825 407 HE21 GLN 51 HE21 GLN 51 4.581 0.322 -3.539 408 HE22 GLN 51 HE22 GLN 51 3.958 1.053 -4.959 409 H ALA 52 HN ALA 52 6.179 -3.890 -2.336 410 HA ALA 52 HA ALA 52 4.588 -2.477 -0.392 411 HB1 ALA 52 HB1 ALA 52 3.250 -3.812 -1.630 412 HB2 ALA 52 HB2 ALA 52 3.534 -4.794 -0.201 413 HB3 ALA 52 HB3 ALA 52 4.413 -5.128 -1.675 414 H LYS 53 HN LYS 53 7.054 -4.904 -0.616 415 HA LYS 53 HA LYS 53 6.943 -5.383 2.210 416 HB2 LYS 53 HB2 LYS 53 7.817 -7.106 0.585 417 HB3 LYS 53 HB1 LYS 53 9.252 -6.074 0.423 418 HG2 LYS 53 HG2 LYS 53 9.603 -6.101 2.840 419 HG3 LYS 53 HG1 LYS 53 8.111 -7.029 3.028 420 HD2 LYS 53 HD2 LYS 53 9.071 -8.913 1.779 421 HD3 LYS 53 HD1 LYS 53 10.546 -7.989 1.492 422 HE2 LYS 53 HE2 LYS 53 10.878 -9.530 3.370 423 HE3 LYS 53 HE1 LYS 53 10.924 -7.862 3.942 424 HZ1 LYS 53 HZ1 LYS 53 8.652 -8.047 4.656 425 HZ2 LYS 53 HZ2 LYS 53 9.552 -9.312 5.344 426 HZ3 LYS 53 HZ3 LYS 53 8.529 -9.615 4.023 427 H ALA 54 HN ALA 54 8.164 -3.181 0.025 428 HA ALA 54 HA ALA 54 10.301 -2.128 1.710 429 HB1 ALA 54 HB1 ALA 54 10.240 -1.814 -0.836 430 HB2 ALA 54 HB2 ALA 54 10.484 -0.346 0.104 431 HB3 ALA 54 HB3 ALA 54 8.898 -0.701 -0.579 432 H TYR 55 HN TYR 55 6.807 -1.903 1.198 433 HA TYR 55 HA TYR 55 6.678 0.479 2.854 434 HB2 TYR 55 HB2 TYR 55 5.061 0.397 1.142 435 HB3 TYR 55 HB1 TYR 55 4.486 -1.205 1.674 436 HD1 TYR 55 HD1 TYR 55 5.072 2.272 2.887 437 HD2 TYR 55 HD2 TYR 55 2.739 -1.297 3.288 438 HE1 TYR 55 HE1 TYR 55 3.658 3.391 4.569 439 HE2 TYR 55 HE2 TYR 55 1.308 -0.162 4.974 440 HH TYR 55 HH TYR 55 1.497 1.732 6.556 441 H LYS 56 HN LYS 56 6.425 -2.964 3.120 442 HA LYS 56 HA LYS 56 5.012 -3.257 5.478 443 HB2 LYS 56 HB2 LYS 56 7.147 -4.719 4.088 444 HB3 LYS 56 HB1 LYS 56 7.182 -4.925 5.822 445 HG2 LYS 56 HG2 LYS 56 4.937 -5.747 5.877 446 HG3 LYS 56 HG1 LYS 56 4.643 -5.257 4.206 447 HD2 LYS 56 HD2 LYS 56 6.060 -6.960 3.349 448 HD3 LYS 56 HD1 LYS 56 6.803 -7.249 4.922 449 HE2 LYS 56 HE2 LYS 56 5.216 -9.043 4.408 450 HE3 LYS 56 HE1 LYS 56 4.626 -8.093 5.769 451 HZ1 LYS 56 HZ1 LYS 56 3.811 -7.236 3.104 452 HZ2 LYS 56 HZ2 LYS 56 2.941 -7.226 4.561 453 HZ3 LYS 56 HZ3 LYS 56 3.120 -8.671 3.689 454 H GLU 57 HN GLU 57 8.537 -2.784 5.051 455 HA GLU 57 HA GLU 57 9.076 -2.078 7.616 456 HB2 GLU 57 HB2 GLU 57 11.008 -2.345 6.349 457 HB3 GLU 57 HB1 GLU 57 10.296 -1.567 4.997 458 HG2 GLU 57 HG2 GLU 57 10.898 0.566 5.670 459 HG3 GLU 57 HG1 GLU 57 10.927 0.107 7.355 460 H TYR 58 HN TYR 58 9.126 0.394 5.177 461 HA TYR 58 HA TYR 58 8.727 2.716 6.169 462 HB2 TYR 58 HB2 TYR 58 6.626 1.879 4.212 463 HB3 TYR 58 HB1 TYR 58 7.111 3.521 4.579 464 HD1 TYR 58 HD1 TYR 58 7.222 2.396 1.799 465 HD2 TYR 58 HD2 TYR 58 10.165 2.419 4.936 466 HE1 TYR 58 HE1 TYR 58 9.030 2.264 0.111 467 HE2 TYR 58 HE2 TYR 58 11.966 2.287 3.242 468 HH TYR 58 HH TYR 58 11.626 3.018 0.135 469 H HIS 59 HN HIS 59 6.104 0.335 6.541 470 HA HIS 59 HA HIS 59 4.448 2.229 8.028 471 HB2 HIS 59 HB2 HIS 59 3.392 0.369 6.817 472 HB3 HIS 59 HB1 HIS 59 4.285 -0.790 7.785 473 HD1 HIS 59 HD1 HIS 59 1.820 2.072 8.312 474 HD2 HIS 59 HD2 HIS 59 2.971 -1.509 10.106 475 HE1 HIS 59 HE1 HIS 59 0.250 1.714 10.267 476 HE2 HIS 59 HE2 HIS 59 0.940 -0.467 11.372 477 H ASP 60 HN ASP 60 5.676 -0.941 9.056 478 HA ASP 60 HA ASP 60 5.936 -0.129 11.813 479 HB2 ASP 60 HB2 ASP 60 7.029 -2.576 10.399 480 HB3 ASP 60 HB1 ASP 60 6.880 -2.360 12.145 481 H LYS 61 HN LYS 61 8.234 -1.477 9.537 482 HA LYS 61 HA LYS 61 10.129 0.254 9.104 483 HB2 LYS 61 HB2 LYS 61 11.034 0.947 10.972 484 HB3 LYS 61 HB1 LYS 61 10.229 -0.286 11.949 485 HG2 LYS 61 HG2 LYS 61 11.920 -1.948 11.055 486 HG3 LYS 61 HG1 LYS 61 12.795 -0.573 10.371 487 HD2 LYS 61 HD2 LYS 61 12.068 -0.792 13.305 488 HD3 LYS 61 HD1 LYS 61 13.624 -1.299 12.647 489 HE2 LYS 61 HE2 LYS 61 13.975 0.995 11.760 490 HE3 LYS 61 HE1 LYS 61 12.448 1.493 12.488 491 HZ1 LYS 61 HZ1 LYS 61 14.597 1.887 13.789 492 HZ2 LYS 61 HZ2 LYS 61 14.558 0.220 14.112 493 HZ3 LYS 61 HZ3 LYS 61 13.279 1.217 14.620 494 H ASN 62 HN ASN 62 9.254 -2.897 10.115 495 HA ASN 62 HA ASN 62 10.339 -4.177 7.952 496 HB2 ASN 62 HB2 ASN 62 12.570 -3.700 8.854 497 HB3 ASN 62 HB1 ASN 62 12.121 -4.404 10.404 498 HD21 ASN 62 HD21 ASN 62 12.755 -6.531 10.642 499 HD22 ASN 62 HD22 ASN 62 12.991 -7.630 9.351 500 H GLY 63 HN GLY 63 8.063 -4.795 8.518 501 HA2 GLY 63 HA2 GLY 63 8.067 -7.412 9.740 502 HA3 GLY 63 HA1 GLY 63 7.197 -6.212 10.701 503 H GLY 64 HN GLY 64 5.725 -8.259 9.886 504 HA2 GLY 64 HA2 GLY 64 4.086 -7.139 7.693 505 HA3 GLY 64 HA1 GLY 64 4.438 -8.863 7.774 506 H ALA 65 HN ALA 65 1.834 -7.549 7.849 507 HA ALA 65 HA ALA 65 0.745 -8.933 10.141 508 HB1 ALA 65 HB1 ALA 65 1.121 -7.014 11.401 509 HB2 ALA 65 HB2 ALA 65 -0.510 -6.730 10.793 510 HB3 ALA 65 HB3 ALA 65 0.866 -5.938 10.026 511 H ASN 66 HN ASN 66 -1.678 -8.743 10.184 512 HA ASN 66 HA ASN 66 -2.745 -9.175 7.562 513 HB2 ASN 66 HB2 ASN 66 -4.698 -9.821 8.642 514 HB3 ASN 66 HB1 ASN 66 -3.480 -10.145 9.876 515 HD21 ASN 66 HD21 ASN 66 -2.960 -7.557 10.849 516 HD22 ASN 66 HD22 ASN 66 -4.382 -6.928 11.557 517 H ARG 67 HN ARG 67 -1.969 -6.353 9.094 518 HA ARG 67 HA ARG 67 -3.242 -4.744 7.237 519 HB2 ARG 67 HB2 ARG 67 -5.146 -5.220 9.002 520 HB3 ARG 67 HB1 ARG 67 -4.242 -4.045 9.957 521 HG2 ARG 67 HG2 ARG 67 -4.575 -3.200 7.155 522 HG3 ARG 67 HG1 ARG 67 -6.096 -3.390 7.969 523 HD2 ARG 67 HD2 ARG 67 -3.864 -1.511 8.645 524 HD3 ARG 67 HD1 ARG 67 -5.548 -1.134 8.360 525 HE ARG 67 HE ARG 67 -4.345 -2.121 10.834 526 HH11 ARG 67 HH11 ARG 67 -7.253 -1.543 9.005 527 HH12 ARG 67 HH12 ARG 67 -8.273 -1.500 10.399 528 HH21 ARG 67 HH21 ARG 67 -5.698 -2.040 12.647 529 HH22 ARG 67 HH22 ARG 67 -7.400 -1.781 12.451 530 H LYS 68 HN LYS 68 -2.769 -2.636 7.599 531 HA LYS 68 HA LYS 68 -0.733 -1.862 9.487 532 HB2 LYS 68 HB2 LYS 68 0.482 -1.235 7.131 533 HB3 LYS 68 HB1 LYS 68 0.874 -2.662 8.083 534 HG2 LYS 68 HG2 LYS 68 -1.490 -3.146 6.349 535 HG3 LYS 68 HG1 LYS 68 -0.069 -2.670 5.477 536 HD2 LYS 68 HD2 LYS 68 0.049 -4.760 7.597 537 HD3 LYS 68 HD1 LYS 68 -0.294 -5.162 5.921 538 HE2 LYS 68 HE2 LYS 68 1.851 -4.042 5.284 539 HE3 LYS 68 HE1 LYS 68 2.195 -3.799 6.989 540 HZ1 LYS 68 HZ1 LYS 68 3.049 -5.902 5.721 541 HZ2 LYS 68 HZ2 LYS 68 1.505 -6.492 6.092 542 HZ3 LYS 68 HZ3 LYS 68 2.551 -5.997 7.335 543 H VAL 69 HN VAL 69 -2.451 -1.441 6.508 544 HA VAL 69 HA VAL 69 -2.958 1.309 7.169 545 HB VAL 69 HB VAL 69 -2.637 1.924 4.862 546 HG11 VAL 69 HG11 VAL 69 -0.376 0.195 5.844 547 HG12 VAL 69 HG12 VAL 69 -0.692 1.843 6.389 548 HG13 VAL 69 HG13 VAL 69 -0.253 1.538 4.706 549 HG21 VAL 69 HG21 VAL 69 -1.622 0.049 3.381 550 HG22 VAL 69 HG22 VAL 69 -3.351 0.014 3.687 551 HG23 VAL 69 HG23 VAL 69 -2.287 -1.077 4.575 552 H ASN 70 HN ASN 70 -4.856 2.073 5.720 553 HA ASN 70 HA ASN 70 -6.982 1.740 4.952 554 HB2 ASN 70 HB2 ASN 70 -7.037 0.129 3.364 555 HB3 ASN 70 HB1 ASN 70 -5.401 -0.195 3.832 556 HD21 ASN 70 HD21 ASN 70 -7.100 -2.193 2.703 557 HD22 ASN 70 HD22 ASN 70 -7.317 -3.383 3.908 558 H ASP 71 HN ASP 71 -8.793 -0.420 5.371 559 HA ASP 71 HA ASP 71 -8.830 -1.470 7.970 560 HB2 ASP 71 HB2 ASP 71 -8.840 0.888 8.712 561 HB3 ASP 71 HB1 ASP 71 -10.283 1.180 7.747
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