NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
497492 | 2l63 | 17296 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 2.219 -10.730 -11.635 2 HA HIS 1 HA HIS 1 0.246 -10.927 -10.167 3 HB2 HIS 1 HB2 HIS 1 0.124 -12.765 -12.644 4 HB3 HIS 1 HB3 HIS 1 -1.322 -12.222 -11.752 5 HD1 HIS 1 HD1 HIS 1 -1.565 -9.538 -11.576 6 HD2 HIS 1 HD2 HIS 1 0.940 -11.074 -14.582 7 HE1 HIS 1 HE1 HIS 1 -1.289 -7.666 -13.255 8 H ALA 2 H ALA 2 -1.316 -12.491 -9.109 9 HA ALA 2 HA ALA 2 -0.041 -15.160 -8.509 10 HB1 ALA 2 HB1 ALA 2 0.248 -13.567 -6.587 11 HB2 ALA 2 HB2 ALA 2 -1.502 -13.216 -6.616 12 HB3 ALA 2 HB3 ALA 2 -0.926 -14.852 -6.169 13 H ASP 3 H ASP 3 -1.840 -16.741 -7.646 14 HA ASP 3 HA ASP 3 -4.536 -16.019 -8.595 15 HB2 ASP 3 HB2 ASP 3 -3.296 -16.656 -10.697 16 HB3 ASP 3 HB3 ASP 3 -2.892 -18.230 -9.975 17 H GLY 4 H GLY 4 -6.022 -17.102 -7.178 18 HA2 GLY 4 HA2 GLY 4 -6.540 -19.460 -6.438 19 HA3 GLY 4 HA3 GLY 4 -4.944 -19.471 -5.643 20 H SER 5 H SER 5 -7.154 -19.841 -3.978 21 HA SER 5 HA SER 5 -8.339 -17.380 -3.157 22 HB2 SER 5 HB2 SER 5 -9.455 -19.468 -2.590 23 HB3 SER 5 HB3 SER 5 -8.079 -20.018 -1.607 24 HG SER 5 HG SER 5 -9.656 -17.708 -0.975 25 H PHE 6 H PHE 6 -5.862 -19.309 -1.221 26 HA PHE 6 HA PHE 6 -5.223 -16.819 0.212 27 HB2 PHE 6 HB2 PHE 6 -3.678 -18.177 1.553 28 HB3 PHE 6 HB3 PHE 6 -5.296 -18.899 1.498 29 HD1 PHE 6 HD2 PHE 6 -1.830 -19.113 0.047 30 HD2 PHE 6 HD1 PHE 6 -5.574 -21.159 0.617 31 HE1 PHE 6 HE2 PHE 6 -0.852 -21.176 -0.894 32 HE2 PHE 6 HE1 PHE 6 -4.581 -23.225 -0.296 33 HZ PHE 6 HZ PHE 6 -2.222 -23.239 -1.068 34 H SER 7 H SER 7 -3.815 -18.732 -2.553 35 HA SER 7 HA SER 7 -1.228 -17.719 -2.415 36 HB2 SER 7 HB2 SER 7 -2.963 -18.152 -4.897 37 HB3 SER 7 HB3 SER 7 -1.206 -17.849 -4.974 38 HG SER 7 HG SER 7 -0.976 -19.850 -3.688 39 H ASP 8 H ASP 8 -4.243 -16.067 -3.746 40 HA ASP 8 HA ASP 8 -2.857 -13.754 -4.643 41 HB2 ASP 8 HB2 ASP 8 -5.720 -14.084 -3.574 42 HB3 ASP 8 HB3 ASP 8 -5.059 -12.509 -4.084 43 H GLU 9 H GLU 9 -3.985 -14.651 -1.290 44 HA GLU 9 HA GLU 9 -3.241 -12.064 -0.282 45 HB2 GLU 9 HB2 GLU 9 -3.639 -14.711 1.226 46 HB3 GLU 9 HB3 GLU 9 -3.366 -13.145 2.021 47 HG2 GLU 9 HG2 GLU 9 -5.419 -12.190 0.974 48 HG3 GLU 9 HG3 GLU 9 -5.756 -13.743 0.166 49 H MET 10 H MET 10 -1.022 -14.353 -1.553 50 HA MET 10 HA MET 10 0.968 -14.247 0.456 51 HB2 MET 10 HB2 MET 10 1.262 -14.209 -2.593 52 HB3 MET 10 HB3 MET 10 2.629 -14.458 -1.489 53 HG2 MET 10 HG2 MET 10 0.299 -16.365 -1.033 54 HG3 MET 10 HG3 MET 10 1.166 -16.546 -2.580 55 HE1 MET 10 HE1 MET 10 3.092 -17.342 1.559 56 HE2 MET 10 HE2 MET 10 2.878 -15.627 1.092 57 HE3 MET 10 HE3 MET 10 1.439 -16.689 1.323 58 H ASN 11 H ASN 11 0.070 -11.806 -2.141 59 HA ASN 11 HA ASN 11 2.243 -10.049 -1.214 60 HB2 ASN 11 HB2 ASN 11 -0.018 -9.542 -3.223 61 HB3 ASN 11 HB3 ASN 11 1.320 -8.418 -2.859 62 HD21 ASN 11 HD21 ASN 11 1.569 -8.719 -5.348 63 HD22 ASN 11 HD22 ASN 11 2.630 -9.993 -5.822 64 H THR 12 H THR 12 -0.652 -10.764 0.424 65 HA THR 12 HA THR 12 -1.613 -8.202 1.018 66 HB THR 12 HB THR 12 -1.293 -10.585 2.938 67 HG1 THR 12 HG1 THR 12 -3.474 -9.922 1.191 68 HG21 THR 12 HG21 THR 12 -3.213 -8.169 3.052 69 HG22 THR 12 HG22 THR 12 -1.896 -8.509 4.217 70 HG23 THR 12 HG23 THR 12 -3.296 -9.608 4.105 71 H ILE 13 H ILE 13 1.472 -9.802 2.017 72 HA ILE 13 HA ILE 13 2.179 -8.273 4.205 73 HB ILE 13 HB ILE 13 4.036 -8.772 1.794 74 HG12 ILE 13 HG12 ILE 13 3.365 -10.995 2.499 75 HG13 ILE 13 HG13 ILE 13 4.988 -10.689 3.100 76 HG21 ILE 13 HG21 ILE 13 4.975 -7.007 3.233 77 HG22 ILE 13 HG22 ILE 13 4.699 -7.982 4.694 78 HG23 ILE 13 HG23 ILE 13 5.905 -8.493 3.481 79 HD11 ILE 13 HD11 ILE 13 4.011 -10.190 5.412 80 HD12 ILE 13 HD12 ILE 13 2.388 -10.593 4.769 81 HD13 ILE 13 HD13 ILE 13 3.662 -11.834 4.822 82 H LEU 14 H LEU 14 2.357 -7.231 0.696 83 HA LEU 14 HA LEU 14 3.358 -4.640 1.494 84 HB2 LEU 14 HB2 LEU 14 1.995 -5.345 -1.156 85 HB3 LEU 14 HB3 LEU 14 2.969 -3.898 -0.799 86 HG LEU 14 HG LEU 14 3.980 -6.810 -1.013 87 HD11 LEU 14 HD11 LEU 14 3.566 -5.588 -3.175 88 HD12 LEU 14 HD12 LEU 14 5.297 -5.929 -2.921 89 HD13 LEU 14 HD13 LEU 14 4.664 -4.284 -2.636 90 HD21 LEU 14 HD21 LEU 14 5.536 -4.307 -0.119 91 HD22 LEU 14 HD22 LEU 14 6.298 -5.842 -0.623 92 HD23 LEU 14 HD23 LEU 14 5.288 -5.808 0.831 93 H ASP 15 H ASP 15 0.017 -5.962 0.893 94 HA ASP 15 HA ASP 15 -1.320 -3.589 0.574 95 HB2 ASP 15 HB2 ASP 15 -2.440 -5.833 0.615 96 HB3 ASP 15 HB3 ASP 15 -2.266 -5.877 2.394 97 H ASN 16 H ASN 16 -0.070 -4.881 3.777 98 HA ASN 16 HA ASN 16 -1.465 -2.881 5.304 99 HB2 ASN 16 HB2 ASN 16 0.920 -4.678 5.962 100 HB3 ASN 16 HB3 ASN 16 0.576 -3.260 6.969 101 HD21 ASN 16 HD21 ASN 16 -1.637 -5.792 5.398 102 HD22 ASN 16 HD22 ASN 16 -2.431 -6.126 6.889 103 H LEU 17 H LEU 17 2.146 -2.950 4.646 104 HA LEU 17 HA LEU 17 2.424 -0.260 5.400 105 HB2 LEU 17 HB2 LEU 17 4.657 -0.283 4.366 106 HB3 LEU 17 HB3 LEU 17 4.306 -1.789 5.230 107 HG LEU 17 HG LEU 17 3.536 -2.614 2.748 108 HD11 LEU 17 HD11 LEU 17 5.721 -0.559 2.068 109 HD12 LEU 17 HD12 LEU 17 4.008 -0.366 1.622 110 HD13 LEU 17 HD13 LEU 17 4.950 -1.710 0.940 111 HD21 LEU 17 HD21 LEU 17 5.822 -3.582 2.414 112 HD22 LEU 17 HD22 LEU 17 5.274 -3.751 4.100 113 HD23 LEU 17 HD23 LEU 17 6.458 -2.479 3.670 114 H ALA 18 H ALA 18 1.353 -1.550 2.209 115 HA ALA 18 HA ALA 18 1.882 0.912 0.825 116 HB1 ALA 18 HB1 ALA 18 0.431 0.000 -0.972 117 HB2 ALA 18 HB2 ALA 18 1.605 -1.227 -0.407 118 HB3 ALA 18 HB3 ALA 18 -0.108 -1.321 0.104 119 H ALA 19 H ALA 19 -1.084 -0.524 2.437 120 HA ALA 19 HA ALA 19 -2.944 1.384 1.659 121 HB1 ALA 19 HB1 ALA 19 -3.562 -0.562 3.110 122 HB2 ALA 19 HB2 ALA 19 -2.654 0.144 4.480 123 HB3 ALA 19 HB3 ALA 19 -4.114 0.967 3.856 124 H ARG 20 H ARG 20 -0.495 1.617 4.358 125 HA ARG 20 HA ARG 20 -1.476 4.308 5.038 126 HB2 ARG 20 HB2 ARG 20 1.079 2.898 6.007 127 HB3 ARG 20 HB3 ARG 20 0.304 4.342 6.706 128 HG2 ARG 20 HG2 ARG 20 -0.764 1.432 6.742 129 HG3 ARG 20 HG3 ARG 20 -0.255 2.439 8.113 130 HD2 ARG 20 HD2 ARG 20 -2.177 4.015 7.589 131 HD3 ARG 20 HD3 ARG 20 -2.737 2.834 6.344 132 HE ARG 20 HE ARG 20 -2.440 1.423 8.780 133 HH11 ARG 20 HH12 ARG 20 -4.516 3.997 7.335 134 HH12 ARG 20 HH11 ARG 20 -5.893 3.535 8.327 135 HH21 ARG 20 HH22 ARG 20 -4.264 0.916 10.001 136 HH22 ARG 20 HH21 ARG 20 -5.761 1.833 9.803 137 H ASP 21 H ASP 21 1.321 2.901 3.141 138 HA ASP 21 HA ASP 21 2.727 5.307 2.857 139 HB2 ASP 21 HB2 ASP 21 3.474 3.121 1.793 140 HB3 ASP 21 HB3 ASP 21 2.169 3.295 0.584 141 H PHE 22 H PHE 22 -0.350 4.191 1.223 142 HA PHE 22 HA PHE 22 -0.204 6.429 -0.587 143 HB2 PHE 22 HB2 PHE 22 -1.594 4.009 -0.754 144 HB3 PHE 22 HB3 PHE 22 -2.895 5.160 -0.421 145 HD1 PHE 22 HD1 PHE 22 0.295 4.792 -2.427 146 HD2 PHE 22 HD2 PHE 22 -3.771 6.199 -2.464 147 HE1 PHE 22 HE1 PHE 22 0.579 5.549 -4.763 148 HE2 PHE 22 HE2 PHE 22 -3.515 6.845 -4.839 149 HZ PHE 22 HZ PHE 22 -1.327 6.575 -5.977 150 H ILE 23 H ILE 23 -2.508 5.602 2.154 151 HA ILE 23 HA ILE 23 -3.830 8.099 2.029 152 HB ILE 23 HB ILE 23 -3.290 6.202 4.363 153 HG12 ILE 23 HG12 ILE 23 -4.945 5.566 2.502 154 HG13 ILE 23 HG13 ILE 23 -5.575 5.508 4.160 155 HG21 ILE 23 HG21 ILE 23 -4.818 8.851 4.548 156 HG22 ILE 23 HG22 ILE 23 -4.973 7.520 5.737 157 HG23 ILE 23 HG23 ILE 23 -3.409 8.332 5.507 158 HD11 ILE 23 HD11 ILE 23 -7.222 6.486 2.546 159 HD12 ILE 23 HD12 ILE 23 -6.821 7.631 3.842 160 HD13 ILE 23 HD13 ILE 23 -6.133 7.850 2.210 161 H ASN 24 H ASN 24 -0.798 7.234 3.857 162 HA ASN 24 HA ASN 24 -0.630 9.914 4.907 163 HB2 ASN 24 HB2 ASN 24 0.413 7.822 5.951 164 HB3 ASN 24 HB3 ASN 24 1.683 7.912 4.708 165 HD21 ASN 24 HD21 ASN 24 3.306 9.689 4.968 166 HD22 ASN 24 HD22 ASN 24 3.288 10.724 6.347 167 H TRP 25 H TRP 25 0.613 8.346 1.871 168 HA TRP 25 HA TRP 25 2.529 10.153 1.101 169 HB2 TRP 25 HB2 TRP 25 2.348 8.844 -0.780 170 HB3 TRP 25 HB3 TRP 25 0.640 8.530 -0.483 171 HD1 TRP 25 HD1 TRP 25 2.627 11.565 -1.848 172 HE1 TRP 25 HE1 TRP 25 1.241 12.612 -3.681 173 HE3 TRP 25 HE3 TRP 25 -1.502 8.402 -1.759 174 HZ2 TRP 25 HZ2 TRP 25 -1.189 12.292 -4.905 175 HZ3 TRP 25 HZ3 TRP 25 -3.420 8.986 -3.236 176 HH2 TRP 25 HH2 TRP 25 -3.240 10.854 -4.845 177 H LEU 26 H LEU 26 -1.057 10.619 0.863 178 HA LEU 26 HA LEU 26 -1.039 13.078 -0.441 179 HB2 LEU 26 HB2 LEU 26 -2.858 12.188 1.856 180 HB3 LEU 26 HB3 LEU 26 -3.171 13.638 0.882 181 HG LEU 26 HG LEU 26 -3.012 10.810 -0.368 182 HD11 LEU 26 HD11 LEU 26 -4.872 10.877 1.288 183 HD12 LEU 26 HD12 LEU 26 -5.496 10.833 -0.379 184 HD13 LEU 26 HD13 LEU 26 -5.497 12.373 0.530 185 HD21 LEU 26 HD21 LEU 26 -4.240 11.889 -2.264 186 HD22 LEU 26 HD22 LEU 26 -2.657 12.652 -2.035 187 HD23 LEU 26 HD23 LEU 26 -4.129 13.471 -1.449 188 H ILE 27 H ILE 27 -0.705 12.528 3.165 189 HA ILE 27 HA ILE 27 -0.368 15.310 3.678 190 HB ILE 27 HB ILE 27 0.106 12.814 5.284 191 HG12 ILE 27 HG12 ILE 27 -1.891 14.387 5.468 192 HG13 ILE 27 HG13 ILE 27 -1.101 13.934 6.994 193 HG21 ILE 27 HG21 ILE 27 1.874 15.231 5.902 194 HG22 ILE 27 HG22 ILE 27 1.491 13.915 7.050 195 HG23 ILE 27 HG23 ILE 27 2.386 13.556 5.562 196 HD11 ILE 27 HD11 ILE 27 -0.572 16.642 5.583 197 HD12 ILE 27 HD12 ILE 27 -1.729 16.378 6.908 198 HD13 ILE 27 HD13 ILE 27 0.007 16.133 7.188 199 H GLN 28 H GLN 28 2.137 12.741 2.992 200 HA GLN 28 HA GLN 28 4.185 14.867 3.164 201 HB2 GLN 28 HB2 GLN 28 5.840 13.130 2.971 202 HB3 GLN 28 HB3 GLN 28 4.671 12.761 4.251 203 HG2 GLN 28 HG2 GLN 28 3.711 10.962 2.958 204 HG3 GLN 28 HG3 GLN 28 4.380 11.589 1.429 205 HE21 GLN 28 HE21 GLN 28 5.724 10.560 4.720 206 HE22 GLN 28 HE22 GLN 28 6.983 9.618 4.017 207 H THR 29 H THR 29 2.406 15.540 1.047 208 HA THR 29 HA THR 29 3.971 14.782 -1.391 209 HB THR 29 HB THR 29 1.189 16.061 -1.121 210 HG1 THR 29 HG1 THR 29 1.339 13.736 -0.688 211 HG21 THR 29 HG21 THR 29 1.088 15.719 -3.590 212 HG22 THR 29 HG22 THR 29 2.796 15.194 -3.607 213 HG23 THR 29 HG23 THR 29 2.378 16.883 -3.178 214 H LYS 30 H LYS 30 2.342 17.782 0.056 215 HA LYS 30 HA LYS 30 4.156 19.384 -1.582 216 HB2 LYS 30 HB2 LYS 30 1.774 20.024 -1.201 217 HB3 LYS 30 HB3 LYS 30 2.089 20.198 0.537 218 HG2 LYS 30 HG2 LYS 30 2.034 22.405 -0.594 219 HG3 LYS 30 HG3 LYS 30 3.602 22.090 0.171 220 HD2 LYS 30 HD2 LYS 30 3.804 23.213 -2.053 221 HD3 LYS 30 HD3 LYS 30 4.687 21.682 -1.982 222 HE2 LYS 30 HE2 LYS 30 3.572 21.956 -4.154 223 HE3 LYS 30 HE3 LYS 30 2.883 20.553 -3.324 224 HZ1 LYS 30 HZ1 LYS 30 1.175 21.962 -4.421 225 HZ2 LYS 30 HZ2 LYS 30 1.615 23.314 -3.420 226 HZ3 LYS 30 HZ3 LYS 30 0.893 21.885 -2.721 227 H ILE 31 H ILE 31 3.716 18.659 1.986 228 HA ILE 31 HA ILE 31 5.793 20.433 2.702 229 HB ILE 31 HB ILE 31 4.136 19.649 4.330 230 HG12 ILE 31 HG12 ILE 31 7.065 19.137 5.166 231 HG13 ILE 31 HG13 ILE 31 6.274 20.729 5.043 232 HG21 ILE 31 HG21 ILE 31 4.231 17.466 5.454 233 HG22 ILE 31 HG22 ILE 31 4.138 17.169 3.721 234 HG23 ILE 31 HG23 ILE 31 5.704 17.008 4.563 235 HD11 ILE 31 HD11 ILE 31 6.293 20.123 7.388 236 HD12 ILE 31 HD12 ILE 31 4.601 19.983 6.833 237 HD13 ILE 31 HD13 ILE 31 5.598 18.516 7.080 238 H THR 32 H THR 32 5.988 16.796 2.061 239 HA THR 32 HA THR 32 8.949 17.087 2.352 240 HB THR 32 HB THR 32 7.344 14.540 1.968 241 HG1 THR 32 HG1 THR 32 7.506 14.486 4.358 242 HG21 THR 32 HG21 THR 32 9.361 13.443 2.954 243 HG22 THR 32 HG22 THR 32 10.162 15.030 3.121 244 HG23 THR 32 HG23 THR 32 9.824 14.361 1.495 245 H ASP 33 H ASP 33 6.471 15.675 -0.012 246 HA ASP 33 HA ASP 33 6.669 15.283 -2.267 247 HB2 ASP 33 HB2 ASP 33 7.289 17.855 -2.107 248 HB3 ASP 33 HB3 ASP 33 8.953 17.333 -2.424 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 0.603 -20.262 -8.777 2 HA HIS 1 HA HIS 1 -0.389 -18.822 -7.021 3 HB2 HIS 1 HB2 HIS 1 2.244 -17.302 -7.500 4 HB3 HIS 1 HB3 HIS 1 0.910 -16.688 -6.485 5 HD1 HIS 1 HD1 HIS 1 0.696 -17.719 -4.163 6 HD2 HIS 1 HD2 HIS 1 3.557 -19.594 -6.606 7 HE1 HIS 1 HE1 HIS 1 1.964 -19.288 -2.642 8 H ALA 2 H ALA 2 -1.853 -18.883 -8.978 9 HA ALA 2 HA ALA 2 -1.502 -16.454 -10.742 10 HB1 ALA 2 HB1 ALA 2 -2.267 -19.322 -11.550 11 HB2 ALA 2 HB2 ALA 2 -2.262 -17.886 -12.620 12 HB3 ALA 2 HB3 ALA 2 -0.730 -18.492 -11.921 13 H ASP 3 H ASP 3 -3.049 -15.383 -9.213 14 HA ASP 3 HA ASP 3 -5.204 -14.747 -8.657 15 HB2 ASP 3 HB2 ASP 3 -5.220 -14.498 -11.147 16 HB3 ASP 3 HB3 ASP 3 -5.899 -16.135 -11.314 17 H GLY 4 H GLY 4 -4.637 -16.561 -6.924 18 HA2 GLY 4 HA2 GLY 4 -6.892 -18.575 -7.017 19 HA3 GLY 4 HA3 GLY 4 -5.346 -18.829 -6.185 20 H SER 5 H SER 5 -7.444 -19.153 -4.528 21 HA SER 5 HA SER 5 -8.594 -16.702 -3.587 22 HB2 SER 5 HB2 SER 5 -9.795 -18.775 -3.194 23 HB3 SER 5 HB3 SER 5 -8.470 -19.438 -2.216 24 HG SER 5 HG SER 5 -9.993 -17.110 -1.487 25 H PHE 6 H PHE 6 -6.281 -18.834 -1.642 26 HA PHE 6 HA PHE 6 -5.429 -16.382 -0.229 27 HB2 PHE 6 HB2 PHE 6 -4.878 -19.354 0.195 28 HB3 PHE 6 HB3 PHE 6 -3.728 -18.143 0.785 29 HD1 PHE 6 HD1 PHE 6 -7.489 -17.727 0.670 30 HD2 PHE 6 HD2 PHE 6 -4.032 -18.415 3.138 31 HE1 PHE 6 HE1 PHE 6 -8.781 -17.087 2.669 32 HE2 PHE 6 HE2 PHE 6 -5.340 -17.814 5.135 33 HZ PHE 6 HZ PHE 6 -7.710 -17.111 4.908 34 H SER 7 H SER 7 -4.194 -18.439 -2.955 35 HA SER 7 HA SER 7 -1.514 -17.652 -2.781 36 HB2 SER 7 HB2 SER 7 -3.256 -17.986 -5.299 37 HB3 SER 7 HB3 SER 7 -1.519 -17.618 -5.342 38 HG SER 7 HG SER 7 -2.622 -19.971 -4.103 39 H ASP 8 H ASP 8 -4.402 -15.756 -4.066 40 HA ASP 8 HA ASP 8 -2.803 -13.582 -4.971 41 HB2 ASP 8 HB2 ASP 8 -5.223 -13.773 -5.536 42 HB3 ASP 8 HB3 ASP 8 -5.656 -13.467 -3.830 43 H GLU 9 H GLU 9 -4.268 -14.284 -1.662 44 HA GLU 9 HA GLU 9 -3.194 -11.846 -0.587 45 HB2 GLU 9 HB2 GLU 9 -4.045 -14.395 0.910 46 HB3 GLU 9 HB3 GLU 9 -3.496 -12.908 1.701 47 HG2 GLU 9 HG2 GLU 9 -5.789 -12.577 1.827 48 HG3 GLU 9 HG3 GLU 9 -5.408 -11.663 0.359 49 H MET 10 H MET 10 -1.250 -14.480 -1.713 50 HA MET 10 HA MET 10 0.583 -14.625 0.375 51 HB2 MET 10 HB2 MET 10 2.289 -15.286 -1.181 52 HB3 MET 10 HB3 MET 10 0.744 -15.930 -1.780 53 HG2 MET 10 HG2 MET 10 1.909 -15.085 -3.719 54 HG3 MET 10 HG3 MET 10 0.699 -13.814 -3.371 55 HE1 MET 10 HE1 MET 10 3.811 -11.753 -4.653 56 HE2 MET 10 HE2 MET 10 3.591 -13.460 -5.162 57 HE3 MET 10 HE3 MET 10 2.171 -12.371 -5.034 58 H ASN 11 H ASN 11 -0.040 -11.867 -1.892 59 HA ASN 11 HA ASN 11 2.407 -10.529 -0.912 60 HB2 ASN 11 HB2 ASN 11 1.498 -10.597 -3.362 61 HB3 ASN 11 HB3 ASN 11 0.356 -9.341 -2.834 62 HD21 ASN 11 HD21 ASN 11 2.210 -8.840 -4.924 63 HD22 ASN 11 HD22 ASN 11 3.431 -7.767 -4.351 64 H THR 12 H THR 12 -0.613 -10.900 0.553 65 HA THR 12 HA THR 12 -1.358 -8.249 1.133 66 HB THR 12 HB THR 12 -1.525 -10.738 2.929 67 HG1 THR 12 HG1 THR 12 -3.405 -9.727 1.004 68 HG21 THR 12 HG21 THR 12 -2.041 -8.678 4.269 69 HG22 THR 12 HG22 THR 12 -3.526 -9.612 3.943 70 HG23 THR 12 HG23 THR 12 -3.187 -8.134 3.004 71 H ILE 13 H ILE 13 1.424 -10.181 2.338 72 HA ILE 13 HA ILE 13 2.019 -8.868 4.695 73 HB ILE 13 HB ILE 13 4.065 -9.402 2.457 74 HG12 ILE 13 HG12 ILE 13 3.128 -11.581 2.917 75 HG13 ILE 13 HG13 ILE 13 4.676 -11.487 3.746 76 HG21 ILE 13 HG21 ILE 13 5.763 -9.425 4.342 77 HG22 ILE 13 HG22 ILE 13 5.006 -7.841 4.111 78 HG23 ILE 13 HG23 ILE 13 4.486 -8.877 5.462 79 HD11 ILE 13 HD11 ILE 13 1.900 -11.229 5.063 80 HD12 ILE 13 HD12 ILE 13 3.038 -12.586 5.199 81 HD13 ILE 13 HD13 ILE 13 3.449 -11.018 5.937 82 H LEU 14 H LEU 14 2.606 -7.609 1.311 83 HA LEU 14 HA LEU 14 3.689 -5.124 2.414 84 HB2 LEU 14 HB2 LEU 14 2.765 -5.726 -0.438 85 HB3 LEU 14 HB3 LEU 14 3.700 -4.305 0.092 86 HG LEU 14 HG LEU 14 4.684 -7.236 0.130 87 HD11 LEU 14 HD11 LEU 14 6.238 -6.498 -1.655 88 HD12 LEU 14 HD12 LEU 14 5.590 -4.834 -1.575 89 HD13 LEU 14 HD13 LEU 14 4.561 -6.170 -2.159 90 HD21 LEU 14 HD21 LEU 14 6.941 -6.223 0.725 91 HD22 LEU 14 HD22 LEU 14 5.766 -6.083 2.041 92 HD23 LEU 14 HD23 LEU 14 6.128 -4.661 1.014 93 H ASP 15 H ASP 15 0.371 -6.210 1.433 94 HA ASP 15 HA ASP 15 -0.750 -3.757 0.930 95 HB2 ASP 15 HB2 ASP 15 -2.105 -5.854 0.891 96 HB3 ASP 15 HB3 ASP 15 -2.020 -5.945 2.672 97 H ASN 16 H ASN 16 -0.069 -5.090 4.276 98 HA ASN 16 HA ASN 16 -1.355 -2.966 5.671 99 HB2 ASN 16 HB2 ASN 16 0.976 -4.812 6.418 100 HB3 ASN 16 HB3 ASN 16 0.681 -3.362 7.389 101 HD21 ASN 16 HD21 ASN 16 -1.716 -5.771 5.894 102 HD22 ASN 16 HD22 ASN 16 -2.481 -6.041 7.410 103 H LEU 17 H LEU 17 1.893 -3.124 4.092 104 HA LEU 17 HA LEU 17 2.688 -0.579 5.281 105 HB2 LEU 17 HB2 LEU 17 4.000 -1.832 2.816 106 HB3 LEU 17 HB3 LEU 17 4.687 -0.694 3.996 107 HG LEU 17 HG LEU 17 4.064 -3.702 4.403 108 HD11 LEU 17 HD11 LEU 17 6.714 -2.164 4.545 109 HD12 LEU 17 HD12 LEU 17 6.159 -3.124 3.144 110 HD13 LEU 17 HD13 LEU 17 6.482 -3.930 4.702 111 HD21 LEU 17 HD21 LEU 17 3.454 -2.575 6.529 112 HD22 LEU 17 HD22 LEU 17 5.016 -1.695 6.526 113 HD23 LEU 17 HD23 LEU 17 4.977 -3.475 6.708 114 H ALA 18 H ALA 18 1.683 -1.710 1.940 115 HA ALA 18 HA ALA 18 1.833 0.791 0.718 116 HB1 ALA 18 HB1 ALA 18 0.183 -0.078 -0.953 117 HB2 ALA 18 HB2 ALA 18 1.406 -1.321 -0.558 118 HB3 ALA 18 HB3 ALA 18 -0.236 -1.421 0.150 119 H ALA 19 H ALA 19 -0.841 -0.639 2.729 120 HA ALA 19 HA ALA 19 -2.882 1.109 2.122 121 HB1 ALA 19 HB1 ALA 19 -2.133 0.096 4.944 122 HB2 ALA 19 HB2 ALA 19 -3.704 0.812 4.483 123 HB3 ALA 19 HB3 ALA 19 -3.183 -0.741 3.765 124 H ARG 20 H ARG 20 -0.183 1.653 4.526 125 HA ARG 20 HA ARG 20 -1.128 4.427 4.879 126 HB2 ARG 20 HB2 ARG 20 0.811 2.663 6.378 127 HB3 ARG 20 HB3 ARG 20 1.331 4.343 6.178 128 HG2 ARG 20 HG2 ARG 20 0.084 4.148 8.286 129 HG3 ARG 20 HG3 ARG 20 -0.753 5.192 7.140 130 HD2 ARG 20 HD2 ARG 20 -2.508 3.916 8.017 131 HD3 ARG 20 HD3 ARG 20 -2.163 3.032 6.501 132 HE ARG 20 HE ARG 20 -0.638 1.896 8.659 133 HH11 ARG 20 HH12 ARG 20 -4.052 2.184 7.524 134 HH12 ARG 20 HH11 ARG 20 -4.529 0.729 8.389 135 HH21 ARG 20 HH22 ARG 20 -1.363 0.065 9.748 136 HH22 ARG 20 HH21 ARG 20 -3.046 -0.449 9.619 137 H ASP 21 H ASP 21 1.319 2.823 2.788 138 HA ASP 21 HA ASP 21 2.893 5.081 2.340 139 HB2 ASP 21 HB2 ASP 21 3.316 2.916 1.154 140 HB3 ASP 21 HB3 ASP 21 1.866 3.178 0.149 141 H PHE 22 H PHE 22 -0.335 4.255 0.760 142 HA PHE 22 HA PHE 22 -0.221 6.730 -0.714 143 HB2 PHE 22 HB2 PHE 22 -2.244 6.201 -1.736 144 HB3 PHE 22 HB3 PHE 22 -1.517 4.616 -1.443 145 HD1 PHE 22 HD2 PHE 22 -4.047 7.123 -0.295 146 HD2 PHE 22 HD1 PHE 22 -2.670 3.067 0.148 147 HE1 PHE 22 HE2 PHE 22 -6.122 6.553 0.913 148 HE2 PHE 22 HE1 PHE 22 -4.765 2.500 1.347 149 HZ PHE 22 HZ PHE 22 -6.473 4.245 1.764 150 H ILE 23 H ILE 23 -1.927 5.625 2.322 151 HA ILE 23 HA ILE 23 -3.493 7.965 2.468 152 HB ILE 23 HB ILE 23 -3.224 5.674 4.165 153 HG12 ILE 23 HG12 ILE 23 -5.351 6.656 3.405 154 HG13 ILE 23 HG13 ILE 23 -5.322 6.281 5.139 155 HG21 ILE 23 HG21 ILE 23 -3.136 6.530 6.466 156 HG22 ILE 23 HG22 ILE 23 -1.614 6.832 5.593 157 HG23 ILE 23 HG23 ILE 23 -2.749 8.172 5.879 158 HD11 ILE 23 HD11 ILE 23 -6.463 8.452 4.621 159 HD12 ILE 23 HD12 ILE 23 -5.094 8.659 5.740 160 HD13 ILE 23 HD13 ILE 23 -4.923 9.128 4.022 161 H ASN 24 H ASN 24 -0.121 7.368 3.615 162 HA ASN 24 HA ASN 24 -0.008 10.110 4.706 163 HB2 ASN 24 HB2 ASN 24 1.748 7.703 4.982 164 HB3 ASN 24 HB3 ASN 24 2.658 9.170 4.665 165 HD21 ASN 24 HD21 ASN 24 0.200 7.745 6.939 166 HD22 ASN 24 HD22 ASN 24 0.600 8.815 8.229 167 H TRP 25 H TRP 25 0.114 9.003 1.478 168 HA TRP 25 HA TRP 25 2.177 10.924 0.685 169 HB2 TRP 25 HB2 TRP 25 2.124 9.618 -1.175 170 HB3 TRP 25 HB3 TRP 25 0.534 8.963 -0.801 171 HD1 TRP 25 HD1 TRP 25 1.921 12.311 -2.252 172 HE1 TRP 25 HE1 TRP 25 0.279 13.125 -3.983 173 HE3 TRP 25 HE3 TRP 25 -1.762 8.688 -1.729 174 HZ2 TRP 25 HZ2 TRP 25 -2.138 12.412 -5.071 175 HZ3 TRP 25 HZ3 TRP 25 -3.755 8.853 -3.217 176 HH2 TRP 25 HH2 TRP 25 -3.930 10.672 -4.885 177 H LEU 26 H LEU 26 -1.453 10.814 0.864 178 HA LEU 26 HA LEU 26 -1.948 13.168 -0.511 179 HB2 LEU 26 HB2 LEU 26 -3.365 12.221 2.045 180 HB3 LEU 26 HB3 LEU 26 -3.991 13.494 0.972 181 HG LEU 26 HG LEU 26 -3.615 10.546 0.120 182 HD11 LEU 26 HD11 LEU 26 -6.088 10.400 0.255 183 HD12 LEU 26 HD12 LEU 26 -6.175 12.082 0.848 184 HD13 LEU 26 HD13 LEU 26 -5.405 10.816 1.845 185 HD21 LEU 26 HD21 LEU 26 -3.465 12.071 -1.859 186 HD22 LEU 26 HD22 LEU 26 -4.949 12.913 -1.340 187 HD23 LEU 26 HD23 LEU 26 -5.013 11.210 -1.865 188 H ILE 27 H ILE 27 -1.023 12.884 2.992 189 HA ILE 27 HA ILE 27 -1.325 15.692 3.418 190 HB ILE 27 HB ILE 27 -0.066 15.506 5.483 191 HG12 ILE 27 HG12 ILE 27 0.647 12.960 6.110 192 HG13 ILE 27 HG13 ILE 27 0.892 12.856 4.365 193 HG21 ILE 27 HG21 ILE 27 -1.532 13.950 6.672 194 HG22 ILE 27 HG22 ILE 27 -2.464 14.766 5.397 195 HG23 ILE 27 HG23 ILE 27 -1.932 13.077 5.174 196 HD11 ILE 27 HD11 ILE 27 2.238 14.793 6.351 197 HD12 ILE 27 HD12 ILE 27 3.014 13.448 5.469 198 HD13 ILE 27 HD13 ILE 27 2.487 14.908 4.596 199 H GLN 28 H GLN 28 1.467 13.797 2.088 200 HA GLN 28 HA GLN 28 3.033 16.329 2.091 201 HB2 GLN 28 HB2 GLN 28 4.977 14.969 1.403 202 HB3 GLN 28 HB3 GLN 28 4.302 14.404 2.938 203 HG2 GLN 28 HG2 GLN 28 3.431 12.438 1.919 204 HG3 GLN 28 HG3 GLN 28 3.497 13.119 0.265 205 HE21 GLN 28 HE21 GLN 28 4.651 11.066 -0.354 206 HE22 GLN 28 HE22 GLN 28 6.323 10.922 0.029 207 H THR 29 H THR 29 0.643 16.129 0.244 208 HA THR 29 HA THR 29 1.710 15.462 -2.343 209 HB THR 29 HB THR 29 -0.672 17.240 -1.601 210 HG1 THR 29 HG1 THR 29 -1.759 15.186 -2.101 211 HG21 THR 29 HG21 THR 29 0.066 15.954 -4.309 212 HG22 THR 29 HG22 THR 29 0.177 17.706 -3.957 213 HG23 THR 29 HG23 THR 29 -1.409 16.891 -3.955 214 H LYS 30 H LYS 30 1.059 18.705 -0.732 215 HA LYS 30 HA LYS 30 2.153 20.132 -2.853 216 HB2 LYS 30 HB2 LYS 30 2.195 22.092 -1.552 217 HB3 LYS 30 HB3 LYS 30 0.755 21.201 -1.036 218 HG2 LYS 30 HG2 LYS 30 3.448 21.362 0.484 219 HG3 LYS 30 HG3 LYS 30 2.043 22.392 0.790 220 HD2 LYS 30 HD2 LYS 30 2.092 19.351 1.319 221 HD3 LYS 30 HD3 LYS 30 2.276 20.657 2.496 222 HE2 LYS 30 HE2 LYS 30 -0.049 21.502 1.838 223 HE3 LYS 30 HE3 LYS 30 -0.246 20.031 0.854 224 HZ1 LYS 30 HZ1 LYS 30 0.249 20.130 3.848 225 HZ2 LYS 30 HZ2 LYS 30 0.188 18.664 2.911 226 HZ3 LYS 30 HZ3 LYS 30 -1.221 19.670 3.054 227 H ILE 31 H ILE 31 3.878 18.743 -0.022 228 HA ILE 31 HA ILE 31 6.277 20.246 -0.690 229 HB ILE 31 HB ILE 31 5.635 19.695 1.665 230 HG12 ILE 31 HG12 ILE 31 8.446 18.825 0.745 231 HG13 ILE 31 HG13 ILE 31 7.904 20.488 1.093 232 HG21 ILE 31 HG21 ILE 31 6.063 17.473 2.640 233 HG22 ILE 31 HG22 ILE 31 5.022 17.266 1.241 234 HG23 ILE 31 HG23 ILE 31 6.754 16.878 1.102 235 HD11 ILE 31 HD11 ILE 31 9.157 19.725 3.033 236 HD12 ILE 31 HD12 ILE 31 7.438 19.763 3.512 237 HD13 ILE 31 HD13 ILE 31 8.244 18.208 3.142 238 H THR 32 H THR 32 5.151 16.780 -1.136 239 HA THR 32 HA THR 32 7.758 16.243 -2.479 240 HB THR 32 HB THR 32 5.573 14.268 -1.646 241 HG1 THR 32 HG1 THR 32 8.043 14.898 -0.364 242 HG21 THR 32 HG21 THR 32 6.939 13.466 -3.598 243 HG22 THR 32 HG22 THR 32 7.314 12.563 -2.104 244 HG23 THR 32 HG23 THR 32 8.437 13.820 -2.690 245 H ASP 33 H ASP 33 4.215 15.440 -3.154 246 HA ASP 33 HA ASP 33 4.316 16.697 -5.735 247 HB2 ASP 33 HB2 ASP 33 5.821 14.788 -6.366 248 HB3 ASP 33 HB3 ASP 33 4.696 13.635 -5.612 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 4.945 -18.498 -10.938 2 HA HIS 1 HA HIS 1 4.033 -16.261 -9.202 3 HB2 HIS 1 HB2 HIS 1 3.328 -16.812 -12.156 4 HB3 HIS 1 HB3 HIS 1 2.426 -15.680 -11.120 5 HD1 HIS 1 HD1 HIS 1 3.123 -13.420 -11.772 6 HD2 HIS 1 HD2 HIS 1 6.376 -16.086 -11.622 7 HE1 HIS 1 HE1 HIS 1 5.174 -12.031 -12.251 8 H ALA 2 H ALA 2 1.675 -16.343 -8.607 9 HA ALA 2 HA ALA 2 0.154 -18.698 -9.411 10 HB1 ALA 2 HB1 ALA 2 -0.069 -19.624 -7.063 11 HB2 ALA 2 HB2 ALA 2 1.623 -19.724 -7.624 12 HB3 ALA 2 HB3 ALA 2 1.138 -18.435 -6.488 13 H ASP 3 H ASP 3 -2.110 -18.628 -8.449 14 HA ASP 3 HA ASP 3 -2.730 -16.281 -6.864 15 HB2 ASP 3 HB2 ASP 3 -2.631 -15.871 -9.687 16 HB3 ASP 3 HB3 ASP 3 -4.359 -16.104 -9.379 17 H GLY 4 H GLY 4 -4.679 -16.698 -5.684 18 HA2 GLY 4 HA2 GLY 4 -6.764 -18.416 -6.526 19 HA3 GLY 4 HA3 GLY 4 -5.507 -19.419 -5.734 20 H SER 5 H SER 5 -6.851 -19.881 -3.773 21 HA SER 5 HA SER 5 -8.256 -17.742 -2.483 22 HB2 SER 5 HB2 SER 5 -8.977 -20.013 -2.090 23 HB3 SER 5 HB3 SER 5 -7.418 -20.469 -1.358 24 HG SER 5 HG SER 5 -9.003 -19.817 0.293 25 H PHE 6 H PHE 6 -5.304 -19.487 -1.108 26 HA PHE 6 HA PHE 6 -4.687 -16.971 0.317 27 HB2 PHE 6 HB2 PHE 6 -3.737 -19.837 0.625 28 HB3 PHE 6 HB3 PHE 6 -2.578 -18.564 0.993 29 HD1 PHE 6 HD2 PHE 6 -5.985 -19.836 1.903 30 HD2 PHE 6 HD1 PHE 6 -2.830 -17.084 2.891 31 HE1 PHE 6 HE2 PHE 6 -7.017 -19.432 4.118 32 HE2 PHE 6 HE1 PHE 6 -3.854 -16.698 5.101 33 HZ PHE 6 HZ PHE 6 -5.949 -17.874 5.726 34 H SER 7 H SER 7 -3.406 -18.865 -2.516 35 HA SER 7 HA SER 7 -0.923 -17.584 -2.654 36 HB2 SER 7 HB2 SER 7 -2.772 -18.473 -4.955 37 HB3 SER 7 HB3 SER 7 -1.124 -17.831 -5.194 38 HG SER 7 HG SER 7 -1.672 -20.180 -3.644 39 H ASP 8 H ASP 8 -4.198 -16.194 -3.429 40 HA ASP 8 HA ASP 8 -3.002 -13.870 -4.717 41 HB2 ASP 8 HB2 ASP 8 -5.386 -14.456 -5.180 42 HB3 ASP 8 HB3 ASP 8 -5.800 -14.172 -3.468 43 H GLU 9 H GLU 9 -4.273 -14.707 -1.380 44 HA GLU 9 HA GLU 9 -3.655 -12.112 -0.325 45 HB2 GLU 9 HB2 GLU 9 -3.940 -14.821 1.094 46 HB3 GLU 9 HB3 GLU 9 -3.754 -13.291 1.966 47 HG2 GLU 9 HG2 GLU 9 -6.084 -13.768 -0.005 48 HG3 GLU 9 HG3 GLU 9 -6.176 -14.070 1.746 49 H MET 10 H MET 10 -1.392 -14.592 -1.368 50 HA MET 10 HA MET 10 0.469 -14.406 0.701 51 HB2 MET 10 HB2 MET 10 0.652 -15.977 -1.177 52 HB3 MET 10 HB3 MET 10 1.013 -14.651 -2.314 53 HG2 MET 10 HG2 MET 10 2.749 -15.245 0.182 54 HG3 MET 10 HG3 MET 10 3.025 -16.074 -1.370 55 HE1 MET 10 HE1 MET 10 4.495 -13.470 -3.736 56 HE2 MET 10 HE2 MET 10 4.644 -15.162 -3.165 57 HE3 MET 10 HE3 MET 10 3.061 -14.546 -3.744 58 H ASN 11 H ASN 11 -0.072 -12.026 -2.051 59 HA ASN 11 HA ASN 11 2.132 -10.366 -1.042 60 HB2 ASN 11 HB2 ASN 11 0.020 -9.851 -3.204 61 HB3 ASN 11 HB3 ASN 11 1.222 -8.646 -2.690 62 HD21 ASN 11 HD21 ASN 11 2.430 -8.588 -4.714 63 HD22 ASN 11 HD22 ASN 11 3.351 -9.952 -5.213 64 H THR 12 H THR 12 -0.979 -10.827 0.372 65 HA THR 12 HA THR 12 -1.776 -8.249 0.935 66 HB THR 12 HB THR 12 -1.640 -10.598 2.916 67 HG1 THR 12 HG1 THR 12 -3.715 -9.883 1.065 68 HG21 THR 12 HG21 THR 12 -3.653 -9.518 3.976 69 HG22 THR 12 HG22 THR 12 -3.459 -8.102 2.906 70 HG23 THR 12 HG23 THR 12 -2.212 -8.479 4.134 71 H ILE 13 H ILE 13 1.183 -9.934 2.167 72 HA ILE 13 HA ILE 13 1.826 -8.377 4.343 73 HB ILE 13 HB ILE 13 3.791 -8.991 2.042 74 HG12 ILE 13 HG12 ILE 13 3.030 -11.171 2.754 75 HG13 ILE 13 HG13 ILE 13 4.606 -10.896 3.481 76 HG21 ILE 13 HG21 ILE 13 4.340 -8.147 4.949 77 HG22 ILE 13 HG22 ILE 13 5.583 -8.722 3.803 78 HG23 ILE 13 HG23 ILE 13 4.712 -7.215 3.478 79 HD11 ILE 13 HD11 ILE 13 3.437 -10.279 5.685 80 HD12 ILE 13 HD12 ILE 13 1.876 -10.701 4.916 81 HD13 ILE 13 HD13 ILE 13 3.130 -11.943 5.128 82 H LEU 14 H LEU 14 2.292 -7.395 0.838 83 HA LEU 14 HA LEU 14 3.314 -4.830 1.681 84 HB2 LEU 14 HB2 LEU 14 2.115 -5.554 -1.044 85 HB3 LEU 14 HB3 LEU 14 3.067 -4.099 -0.663 86 HG LEU 14 HG LEU 14 4.113 -7.009 -0.685 87 HD11 LEU 14 HD11 LEU 14 5.504 -6.218 -2.584 88 HD12 LEU 14 HD12 LEU 14 4.819 -4.575 -2.436 89 HD13 LEU 14 HD13 LEU 14 3.778 -5.940 -2.939 90 HD21 LEU 14 HD21 LEU 14 6.398 -5.961 -0.266 91 HD22 LEU 14 HD22 LEU 14 5.323 -5.885 1.138 92 HD23 LEU 14 HD23 LEU 14 5.574 -4.425 0.126 93 H ASP 15 H ASP 15 -0.022 -6.042 0.868 94 HA ASP 15 HA ASP 15 -1.252 -3.631 0.454 95 HB2 ASP 15 HB2 ASP 15 -2.452 -5.839 0.459 96 HB3 ASP 15 HB3 ASP 15 -2.400 -5.847 2.247 97 H ASN 16 H ASN 16 -0.207 -4.912 3.736 98 HA ASN 16 HA ASN 16 -1.614 -2.835 5.153 99 HB2 ASN 16 HB2 ASN 16 0.658 -4.709 5.973 100 HB3 ASN 16 HB3 ASN 16 0.312 -3.261 6.935 101 HD21 ASN 16 HD21 ASN 16 -1.916 -5.723 5.276 102 HD22 ASN 16 HD22 ASN 16 -2.804 -6.000 6.724 103 H LEU 17 H LEU 17 2.027 -3.040 4.685 104 HA LEU 17 HA LEU 17 2.335 -0.345 5.433 105 HB2 LEU 17 HB2 LEU 17 4.626 -0.440 4.571 106 HB3 LEU 17 HB3 LEU 17 4.175 -1.934 5.410 107 HG LEU 17 HG LEU 17 3.580 -2.762 2.888 108 HD11 LEU 17 HD11 LEU 17 5.127 -1.882 1.177 109 HD12 LEU 17 HD12 LEU 17 5.833 -0.738 2.351 110 HD13 LEU 17 HD13 LEU 17 4.161 -0.522 1.784 111 HD21 LEU 17 HD21 LEU 17 5.211 -3.906 4.363 112 HD22 LEU 17 HD22 LEU 17 6.432 -2.648 4.013 113 HD23 LEU 17 HD23 LEU 17 5.877 -3.750 2.720 114 H ALA 18 H ALA 18 1.501 -1.669 2.187 115 HA ALA 18 HA ALA 18 2.102 0.784 0.810 116 HB1 ALA 18 HB1 ALA 18 0.145 -1.456 0.005 117 HB2 ALA 18 HB2 ALA 18 0.761 -0.157 -1.057 118 HB3 ALA 18 HB3 ALA 18 1.886 -1.389 -0.408 119 H ALA 19 H ALA 19 -0.918 -0.617 2.354 120 HA ALA 19 HA ALA 19 -2.728 1.261 1.439 121 HB1 ALA 19 HB1 ALA 19 -3.995 0.981 3.598 122 HB2 ALA 19 HB2 ALA 19 -3.464 -0.592 2.940 123 HB3 ALA 19 HB3 ALA 19 -2.591 0.144 4.318 124 H ARG 20 H ARG 20 -0.321 1.534 4.166 125 HA ARG 20 HA ARG 20 -1.275 4.250 4.772 126 HB2 ARG 20 HB2 ARG 20 1.218 2.853 5.867 127 HB3 ARG 20 HB3 ARG 20 0.388 4.293 6.513 128 HG2 ARG 20 HG2 ARG 20 -0.620 1.365 6.526 129 HG3 ARG 20 HG3 ARG 20 -0.237 2.405 7.912 130 HD2 ARG 20 HD2 ARG 20 -2.178 3.897 7.281 131 HD3 ARG 20 HD3 ARG 20 -2.588 2.739 5.957 132 HE ARG 20 HE ARG 20 -2.445 1.258 8.365 133 HH11 ARG 20 HH12 ARG 20 -4.492 3.788 6.802 134 HH12 ARG 20 HH11 ARG 20 -5.941 3.210 7.614 135 HH21 ARG 20 HH22 ARG 20 -4.361 0.603 9.351 136 HH22 ARG 20 HH21 ARG 20 -5.875 1.452 9.027 137 H ASP 21 H ASP 21 1.434 2.791 2.820 138 HA ASP 21 HA ASP 21 3.024 5.062 2.655 139 HB2 ASP 21 HB2 ASP 21 3.578 2.949 1.433 140 HB3 ASP 21 HB3 ASP 21 2.243 3.246 0.288 141 H PHE 22 H PHE 22 -0.027 4.333 0.705 142 HA PHE 22 HA PHE 22 0.239 6.884 -0.611 143 HB2 PHE 22 HB2 PHE 22 -1.658 6.414 -1.878 144 HB3 PHE 22 HB3 PHE 22 -0.969 4.813 -1.577 145 HD1 PHE 22 HD1 PHE 22 -3.571 7.309 -0.542 146 HD2 PHE 22 HD2 PHE 22 -2.341 3.188 -0.284 147 HE1 PHE 22 HE1 PHE 22 -5.763 6.717 0.432 148 HE2 PHE 22 HE2 PHE 22 -4.577 2.593 0.620 149 HZ PHE 22 HZ PHE 22 -6.263 4.358 1.034 150 H ILE 23 H ILE 23 -1.784 5.597 2.162 151 HA ILE 23 HA ILE 23 -3.365 7.916 2.317 152 HB ILE 23 HB ILE 23 -3.212 5.545 3.904 153 HG12 ILE 23 HG12 ILE 23 -5.255 6.538 3.033 154 HG13 ILE 23 HG13 ILE 23 -5.363 6.078 4.741 155 HG21 ILE 23 HG21 ILE 23 -2.880 7.941 5.797 156 HG22 ILE 23 HG22 ILE 23 -3.317 6.276 6.254 157 HG23 ILE 23 HG23 ILE 23 -1.713 6.617 5.563 158 HD11 ILE 23 HD11 ILE 23 -4.923 8.995 3.790 159 HD12 ILE 23 HD12 ILE 23 -6.490 8.279 4.243 160 HD13 ILE 23 HD13 ILE 23 -5.210 8.449 5.466 161 H ASN 24 H ASN 24 -0.069 7.307 3.625 162 HA ASN 24 HA ASN 24 -0.100 9.971 4.935 163 HB2 ASN 24 HB2 ASN 24 1.460 7.473 5.355 164 HB3 ASN 24 HB3 ASN 24 2.536 8.836 5.121 165 HD21 ASN 24 HD21 ASN 24 2.488 10.607 6.761 166 HD22 ASN 24 HD22 ASN 24 1.672 10.353 8.257 167 H TRP 25 H TRP 25 0.254 9.132 1.701 168 HA TRP 25 HA TRP 25 2.454 11.039 1.234 169 HB2 TRP 25 HB2 TRP 25 2.618 9.816 -0.679 170 HB3 TRP 25 HB3 TRP 25 1.014 9.113 -0.488 171 HD1 TRP 25 HD1 TRP 25 2.473 12.530 -1.679 172 HE1 TRP 25 HE1 TRP 25 1.005 13.380 -3.546 173 HE3 TRP 25 HE3 TRP 25 -1.195 8.858 -1.643 174 HZ2 TRP 25 HZ2 TRP 25 -1.270 12.668 -4.908 175 HZ3 TRP 25 HZ3 TRP 25 -3.021 9.035 -3.333 176 HH2 TRP 25 HH2 TRP 25 -3.044 10.899 -4.964 177 H LEU 26 H LEU 26 -1.186 10.887 0.955 178 HA LEU 26 HA LEU 26 -1.552 13.313 -0.331 179 HB2 LEU 26 HB2 LEU 26 -3.227 12.221 2.008 180 HB3 LEU 26 HB3 LEU 26 -3.750 13.541 0.937 181 HG LEU 26 HG LEU 26 -3.256 10.630 -0.004 182 HD11 LEU 26 HD11 LEU 26 -5.889 12.121 0.513 183 HD12 LEU 26 HD12 LEU 26 -5.217 10.813 1.531 184 HD13 LEU 26 HD13 LEU 26 -5.718 10.467 -0.143 185 HD21 LEU 26 HD21 LEU 26 -4.446 13.056 -1.492 186 HD22 LEU 26 HD22 LEU 26 -4.427 11.375 -2.094 187 HD23 LEU 26 HD23 LEU 26 -2.901 12.251 -1.879 188 H ILE 27 H ILE 27 -1.038 12.807 3.234 189 HA ILE 27 HA ILE 27 -1.395 15.573 3.823 190 HB ILE 27 HB ILE 27 -0.298 15.237 5.973 191 HG12 ILE 27 HG12 ILE 27 0.349 12.625 6.451 192 HG13 ILE 27 HG13 ILE 27 0.760 12.674 4.734 193 HG21 ILE 27 HG21 ILE 27 -2.683 14.538 5.646 194 HG22 ILE 27 HG22 ILE 27 -2.147 12.863 5.330 195 HG23 ILE 27 HG23 ILE 27 -1.860 13.609 6.922 196 HD11 ILE 27 HD11 ILE 27 2.303 14.713 5.303 197 HD12 ILE 27 HD12 ILE 27 1.903 14.417 7.008 198 HD13 ILE 27 HD13 ILE 27 2.766 13.170 6.065 199 H GLN 28 H GLN 28 1.545 13.810 2.647 200 HA GLN 28 HA GLN 28 3.047 16.363 2.985 201 HB2 GLN 28 HB2 GLN 28 5.095 15.074 2.411 202 HB3 GLN 28 HB3 GLN 28 4.287 14.433 3.848 203 HG2 GLN 28 HG2 GLN 28 3.551 12.500 2.667 204 HG3 GLN 28 HG3 GLN 28 3.735 13.261 1.058 205 HE21 GLN 28 HE21 GLN 28 5.313 11.836 0.062 206 HE22 GLN 28 HE22 GLN 28 6.822 11.479 0.812 207 H THR 29 H THR 29 0.873 16.171 0.838 208 HA THR 29 HA THR 29 2.252 15.666 -1.613 209 HB THR 29 HB THR 29 -0.173 17.469 -1.125 210 HG1 THR 29 HG1 THR 29 -1.229 15.441 -1.813 211 HG21 THR 29 HG21 THR 29 0.947 17.986 -3.337 212 HG22 THR 29 HG22 THR 29 -0.582 17.109 -3.601 213 HG23 THR 29 HG23 THR 29 0.974 16.239 -3.730 214 H LYS 30 H LYS 30 1.609 18.839 0.197 215 HA LYS 30 HA LYS 30 3.050 20.253 -1.845 216 HB2 LYS 30 HB2 LYS 30 1.832 21.074 0.767 217 HB3 LYS 30 HB3 LYS 30 3.342 21.922 0.430 218 HG2 LYS 30 HG2 LYS 30 0.967 21.802 -1.505 219 HG3 LYS 30 HG3 LYS 30 1.358 23.148 -0.420 220 HD2 LYS 30 HD2 LYS 30 2.771 24.051 -2.009 221 HD3 LYS 30 HD3 LYS 30 3.809 22.628 -1.877 222 HE2 LYS 30 HE2 LYS 30 2.208 21.492 -3.638 223 HE3 LYS 30 HE3 LYS 30 1.505 23.112 -3.846 224 HZ1 LYS 30 HZ1 LYS 30 3.798 23.946 -4.420 225 HZ2 LYS 30 HZ2 LYS 30 3.270 22.678 -5.499 226 HZ3 LYS 30 HZ3 LYS 30 4.419 22.323 -4.249 227 H ILE 31 H ILE 31 4.122 19.417 1.541 228 HA ILE 31 HA ILE 31 6.621 20.522 1.158 229 HB ILE 31 HB ILE 31 5.712 19.737 3.370 230 HG12 ILE 31 HG12 ILE 31 7.842 18.988 4.418 231 HG13 ILE 31 HG13 ILE 31 8.579 18.740 2.815 232 HG21 ILE 31 HG21 ILE 31 5.933 17.392 4.090 233 HG22 ILE 31 HG22 ILE 31 5.040 17.447 2.552 234 HG23 ILE 31 HG23 ILE 31 6.758 16.953 2.568 235 HD11 ILE 31 HD11 ILE 31 7.489 21.463 3.818 236 HD12 ILE 31 HD12 ILE 31 9.188 20.940 3.994 237 HD13 ILE 31 HD13 ILE 31 8.508 21.190 2.370 238 H THR 32 H THR 32 5.601 17.161 0.144 239 HA THR 32 HA THR 32 8.389 16.772 -0.884 240 HB THR 32 HB THR 32 6.181 14.689 -0.439 241 HG1 THR 32 HG1 THR 32 8.500 15.254 1.124 242 HG21 THR 32 HG21 THR 32 8.036 13.066 -0.838 243 HG22 THR 32 HG22 THR 32 9.147 14.401 -1.249 244 HG23 THR 32 HG23 THR 32 7.740 14.049 -2.298 245 H ASP 33 H ASP 33 4.921 16.074 -1.961 246 HA ASP 33 HA ASP 33 4.005 16.200 -4.063 247 HB2 ASP 33 HB2 ASP 33 5.107 18.620 -3.795 248 HB3 ASP 33 HB3 ASP 33 6.269 18.039 -5.006 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 0.157 -14.075 -11.713 2 HA HIS 1 HA HIS 1 2.352 -13.806 -10.567 3 HB2 HIS 1 HB2 HIS 1 2.751 -11.629 -9.382 4 HB3 HIS 1 HB3 HIS 1 2.595 -11.460 -11.148 5 HD1 HIS 1 HD1 HIS 1 0.843 -10.586 -7.975 6 HD2 HIS 1 HD2 HIS 1 0.371 -10.195 -12.134 7 HE1 HIS 1 HE1 HIS 1 -1.006 -8.893 -8.293 8 H ALA 2 H ALA 2 1.062 -15.622 -9.605 9 HA ALA 2 HA ALA 2 0.112 -16.647 -7.770 10 HB1 ALA 2 HB1 ALA 2 2.013 -15.530 -6.620 11 HB2 ALA 2 HB2 ALA 2 0.991 -14.113 -6.258 12 HB3 ALA 2 HB3 ALA 2 0.580 -15.704 -5.568 13 H ASP 3 H ASP 3 -1.986 -16.375 -9.044 14 HA ASP 3 HA ASP 3 -3.867 -14.640 -7.453 15 HB2 ASP 3 HB2 ASP 3 -4.063 -15.751 -10.310 16 HB3 ASP 3 HB3 ASP 3 -5.474 -15.161 -9.400 17 H GLY 4 H GLY 4 -5.890 -15.675 -6.745 18 HA2 GLY 4 HA2 GLY 4 -6.985 -18.006 -6.760 19 HA3 GLY 4 HA3 GLY 4 -5.421 -18.580 -6.114 20 H SER 5 H SER 5 -7.146 -19.156 -4.229 21 HA SER 5 HA SER 5 -8.207 -16.938 -2.769 22 HB2 SER 5 HB2 SER 5 -9.206 -19.131 -2.426 23 HB3 SER 5 HB3 SER 5 -7.678 -19.808 -1.818 24 HG SER 5 HG SER 5 -9.123 -17.714 -0.493 25 H PHE 6 H PHE 6 -5.425 -19.105 -1.668 26 HA PHE 6 HA PHE 6 -4.543 -16.903 0.066 27 HB2 PHE 6 HB2 PHE 6 -3.698 -19.790 -0.243 28 HB3 PHE 6 HB3 PHE 6 -2.394 -18.649 0.079 29 HD1 PHE 6 HD2 PHE 6 -5.948 -19.243 1.240 30 HD2 PHE 6 HD1 PHE 6 -1.920 -18.238 2.374 31 HE1 PHE 6 HE2 PHE 6 -6.644 -19.085 3.611 32 HE2 PHE 6 HE1 PHE 6 -2.618 -18.094 4.731 33 HZ PHE 6 HZ PHE 6 -4.983 -18.503 5.360 34 H SER 7 H SER 7 -3.374 -18.504 -3.005 35 HA SER 7 HA SER 7 -1.023 -17.171 -3.369 36 HB2 SER 7 HB2 SER 7 -3.246 -17.630 -5.397 37 HB3 SER 7 HB3 SER 7 -1.589 -17.176 -5.882 38 HG SER 7 HG SER 7 -0.907 -19.203 -4.831 39 H ASP 8 H ASP 8 -4.320 -15.658 -4.091 40 HA ASP 8 HA ASP 8 -3.144 -13.182 -4.925 41 HB2 ASP 8 HB2 ASP 8 -5.542 -13.622 -5.367 42 HB3 ASP 8 HB3 ASP 8 -5.886 -13.655 -3.614 43 H GLU 9 H GLU 9 -4.376 -14.343 -1.671 44 HA GLU 9 HA GLU 9 -3.534 -11.861 -0.418 45 HB2 GLU 9 HB2 GLU 9 -4.328 -14.553 0.809 46 HB3 GLU 9 HB3 GLU 9 -3.979 -13.102 1.774 47 HG2 GLU 9 HG2 GLU 9 -5.834 -11.846 0.745 48 HG3 GLU 9 HG3 GLU 9 -6.188 -13.194 -0.367 49 H MET 10 H MET 10 -1.494 -14.332 -1.645 50 HA MET 10 HA MET 10 0.254 -14.645 0.547 51 HB2 MET 10 HB2 MET 10 0.326 -15.812 -1.793 52 HB3 MET 10 HB3 MET 10 1.238 -14.388 -2.354 53 HG2 MET 10 HG2 MET 10 1.990 -16.394 -0.106 54 HG3 MET 10 HG3 MET 10 2.750 -16.269 -1.710 55 HE1 MET 10 HE1 MET 10 4.148 -14.144 2.003 56 HE2 MET 10 HE2 MET 10 2.452 -14.712 1.896 57 HE3 MET 10 HE3 MET 10 3.802 -15.871 1.668 58 H ASN 11 H ASN 11 -0.039 -12.041 -2.006 59 HA ASN 11 HA ASN 11 2.221 -10.566 -0.894 60 HB2 ASN 11 HB2 ASN 11 0.074 -9.646 -2.877 61 HB3 ASN 11 HB3 ASN 11 1.636 -8.839 -2.558 62 HD21 ASN 11 HD21 ASN 11 1.412 -9.314 -5.149 63 HD22 ASN 11 HD22 ASN 11 2.253 -10.740 -5.635 64 H THR 12 H THR 12 -0.855 -10.955 0.564 65 HA THR 12 HA THR 12 -1.559 -8.326 1.195 66 HB THR 12 HB THR 12 -1.624 -10.789 3.036 67 HG1 THR 12 HG1 THR 12 -3.605 -9.831 1.195 68 HG21 THR 12 HG21 THR 12 -3.278 -8.176 3.139 69 HG22 THR 12 HG22 THR 12 -2.087 -8.709 4.366 70 HG23 THR 12 HG23 THR 12 -3.589 -9.638 4.115 71 H ILE 13 H ILE 13 1.233 -10.273 2.389 72 HA ILE 13 HA ILE 13 1.923 -8.928 4.687 73 HB ILE 13 HB ILE 13 3.907 -9.468 2.391 74 HG12 ILE 13 HG12 ILE 13 3.002 -11.650 2.830 75 HG13 ILE 13 HG13 ILE 13 4.540 -11.566 3.672 76 HG21 ILE 13 HG21 ILE 13 4.888 -7.923 4.042 77 HG22 ILE 13 HG22 ILE 13 4.408 -8.986 5.390 78 HG23 ILE 13 HG23 ILE 13 5.652 -9.511 4.222 79 HD11 ILE 13 HD11 ILE 13 2.890 -12.672 5.109 80 HD12 ILE 13 HD12 ILE 13 3.285 -11.103 5.859 81 HD13 ILE 13 HD13 ILE 13 1.747 -11.316 4.967 82 H LEU 14 H LEU 14 2.410 -7.701 1.289 83 HA LEU 14 HA LEU 14 3.591 -5.232 2.310 84 HB2 LEU 14 HB2 LEU 14 2.499 -5.936 -0.463 85 HB3 LEU 14 HB3 LEU 14 3.415 -4.458 -0.090 86 HG LEU 14 HG LEU 14 4.574 -7.301 0.288 87 HD11 LEU 14 HD11 LEU 14 4.952 -5.361 -2.072 88 HD12 LEU 14 HD12 LEU 14 4.055 -6.909 -2.116 89 HD13 LEU 14 HD13 LEU 14 5.815 -6.910 -1.841 90 HD21 LEU 14 HD21 LEU 14 5.923 -4.525 0.260 91 HD22 LEU 14 HD22 LEU 14 6.784 -6.089 0.299 92 HD23 LEU 14 HD23 LEU 14 5.785 -5.605 1.680 93 H ASP 15 H ASP 15 0.214 -6.242 1.444 94 HA ASP 15 HA ASP 15 -0.903 -3.787 0.993 95 HB2 ASP 15 HB2 ASP 15 -2.255 -5.904 1.068 96 HB3 ASP 15 HB3 ASP 15 -2.135 -5.914 2.848 97 H ASN 16 H ASN 16 -0.097 -5.103 4.321 98 HA ASN 16 HA ASN 16 -1.297 -2.959 5.745 99 HB2 ASN 16 HB2 ASN 16 1.049 -4.821 6.415 100 HB3 ASN 16 HB3 ASN 16 0.816 -3.359 7.384 101 HD21 ASN 16 HD21 ASN 16 -1.682 -5.746 6.017 102 HD22 ASN 16 HD22 ASN 16 -2.382 -5.994 7.569 103 H LEU 17 H LEU 17 1.940 -3.165 4.108 104 HA LEU 17 HA LEU 17 2.738 -0.603 5.225 105 HB2 LEU 17 HB2 LEU 17 3.981 -1.806 2.697 106 HB3 LEU 17 HB3 LEU 17 4.686 -0.677 3.872 107 HG LEU 17 HG LEU 17 4.174 -3.707 4.191 108 HD11 LEU 17 HD11 LEU 17 6.256 -2.969 2.992 109 HD12 LEU 17 HD12 LEU 17 6.602 -3.832 4.514 110 HD13 LEU 17 HD13 LEU 17 6.739 -2.050 4.449 111 HD21 LEU 17 HD21 LEU 17 3.495 -2.724 6.376 112 HD22 LEU 17 HD22 LEU 17 4.990 -1.739 6.419 113 HD23 LEU 17 HD23 LEU 17 5.074 -3.524 6.530 114 H ALA 18 H ALA 18 1.621 -1.747 1.927 115 HA ALA 18 HA ALA 18 1.762 0.741 0.679 116 HB1 ALA 18 HB1 ALA 18 -0.349 -1.450 0.191 117 HB2 ALA 18 HB2 ALA 18 0.052 -0.121 -0.937 118 HB3 ALA 18 HB3 ALA 18 1.275 -1.374 -0.563 119 H ALA 19 H ALA 19 -0.890 -0.639 2.759 120 HA ALA 19 HA ALA 19 -2.919 1.145 2.194 121 HB1 ALA 19 HB1 ALA 19 -3.684 0.864 4.568 122 HB2 ALA 19 HB2 ALA 19 -3.196 -0.702 3.851 123 HB3 ALA 19 HB3 ALA 19 -2.106 0.133 4.997 124 H ARG 20 H ARG 20 -0.127 1.666 4.491 125 HA ARG 20 HA ARG 20 -1.053 4.428 4.934 126 HB2 ARG 20 HB2 ARG 20 1.038 2.671 6.235 127 HB3 ARG 20 HB3 ARG 20 1.451 4.385 6.102 128 HG2 ARG 20 HG2 ARG 20 0.339 3.952 8.242 129 HG3 ARG 20 HG3 ARG 20 -0.581 5.087 7.242 130 HD2 ARG 20 HD2 ARG 20 -2.458 3.739 7.645 131 HD3 ARG 20 HD3 ARG 20 -1.740 2.587 6.552 132 HE ARG 20 HE ARG 20 -1.269 1.180 8.301 133 HH11 ARG 20 HH12 ARG 20 -1.686 4.516 9.630 134 HH12 ARG 20 HH11 ARG 20 -1.623 3.930 11.285 135 HH21 ARG 20 HH22 ARG 20 -1.193 0.549 10.458 136 HH22 ARG 20 HH21 ARG 20 -1.344 1.742 11.751 137 H ASP 21 H ASP 21 1.354 2.824 2.756 138 HA ASP 21 HA ASP 21 2.916 5.060 2.239 139 HB2 ASP 21 HB2 ASP 21 3.286 2.887 1.053 140 HB3 ASP 21 HB3 ASP 21 1.797 3.142 0.104 141 H PHE 22 H PHE 22 -0.375 4.269 0.777 142 HA PHE 22 HA PHE 22 -0.286 6.737 -0.716 143 HB2 PHE 22 HB2 PHE 22 -2.357 6.227 -1.651 144 HB3 PHE 22 HB3 PHE 22 -1.632 4.634 -1.381 145 HD1 PHE 22 HD2 PHE 22 -4.074 7.181 -0.119 146 HD2 PHE 22 HD1 PHE 22 -2.750 3.095 0.235 147 HE1 PHE 22 HE2 PHE 22 -6.107 6.634 1.177 148 HE2 PHE 22 HE1 PHE 22 -4.813 2.550 1.501 149 HZ PHE 22 HZ PHE 22 -6.470 4.320 2.006 150 H ILE 23 H ILE 23 -1.849 5.667 2.411 151 HA ILE 23 HA ILE 23 -3.409 7.999 2.612 152 HB ILE 23 HB ILE 23 -3.027 5.741 4.331 153 HG12 ILE 23 HG12 ILE 23 -5.186 6.681 3.652 154 HG13 ILE 23 HG13 ILE 23 -5.080 6.337 5.389 155 HG21 ILE 23 HG21 ILE 23 -1.356 6.926 5.699 156 HG22 ILE 23 HG22 ILE 23 -2.490 8.272 5.976 157 HG23 ILE 23 HG23 ILE 23 -2.856 6.646 6.614 158 HD11 ILE 23 HD11 ILE 23 -4.852 8.736 5.938 159 HD12 ILE 23 HD12 ILE 23 -4.768 9.176 4.208 160 HD13 ILE 23 HD13 ILE 23 -6.269 8.496 4.889 161 H ASN 24 H ASN 24 0.015 7.441 3.665 162 HA ASN 24 HA ASN 24 0.152 10.247 4.610 163 HB2 ASN 24 HB2 ASN 24 2.188 7.955 4.572 164 HB3 ASN 24 HB3 ASN 24 2.648 9.608 5.003 165 HD21 ASN 24 HD21 ASN 24 2.109 6.872 6.707 166 HD22 ASN 24 HD22 ASN 24 1.369 7.590 8.088 167 H TRP 25 H TRP 25 0.123 9.058 1.453 168 HA TRP 25 HA TRP 25 2.168 10.991 0.544 169 HB2 TRP 25 HB2 TRP 25 2.078 9.611 -1.277 170 HB3 TRP 25 HB3 TRP 25 0.499 8.960 -0.842 171 HD1 TRP 25 HD1 TRP 25 1.826 12.299 -2.377 172 HE1 TRP 25 HE1 TRP 25 0.126 13.088 -4.065 173 HE3 TRP 25 HE3 TRP 25 -1.818 8.666 -1.702 174 HZ2 TRP 25 HZ2 TRP 25 -2.320 12.353 -5.070 175 HZ3 TRP 25 HZ3 TRP 25 -3.854 8.794 -3.138 176 HH2 TRP 25 HH2 TRP 25 -4.095 10.601 -4.814 177 H LEU 26 H LEU 26 -1.466 10.752 0.824 178 HA LEU 26 HA LEU 26 -2.116 13.100 -0.452 179 HB2 LEU 26 HB2 LEU 26 -3.323 12.149 2.198 180 HB3 LEU 26 HB3 LEU 26 -4.028 13.408 1.157 181 HG LEU 26 HG LEU 26 -3.718 10.436 0.374 182 HD11 LEU 26 HD11 LEU 26 -6.224 12.087 1.041 183 HD12 LEU 26 HD12 LEU 26 -5.474 10.862 2.107 184 HD13 LEU 26 HD13 LEU 26 -6.187 10.369 0.549 185 HD21 LEU 26 HD21 LEU 26 -3.554 11.829 -1.691 186 HD22 LEU 26 HD22 LEU 26 -4.972 12.788 -1.186 187 HD23 LEU 26 HD23 LEU 26 -5.148 11.065 -1.621 188 H ILE 27 H ILE 27 -0.886 12.807 2.963 189 HA ILE 27 HA ILE 27 -1.195 15.625 3.403 190 HB ILE 27 HB ILE 27 0.132 15.442 5.417 191 HG12 ILE 27 HG12 ILE 27 0.878 12.890 6.015 192 HG13 ILE 27 HG13 ILE 27 1.078 12.801 4.263 193 HG21 ILE 27 HG21 ILE 27 -2.263 14.694 5.418 194 HG22 ILE 27 HG22 ILE 27 -1.730 13.005 5.174 195 HG23 ILE 27 HG23 ILE 27 -1.279 13.881 6.659 196 HD11 ILE 27 HD11 ILE 27 3.223 13.413 5.304 197 HD12 ILE 27 HD12 ILE 27 2.649 14.880 4.470 198 HD13 ILE 27 HD13 ILE 27 2.459 14.735 6.231 199 H GLN 28 H GLN 28 1.581 13.733 1.981 200 HA GLN 28 HA GLN 28 3.096 16.299 1.961 201 HB2 GLN 28 HB2 GLN 28 5.079 15.012 1.275 202 HB3 GLN 28 HB3 GLN 28 4.432 14.416 2.810 203 HG2 GLN 28 HG2 GLN 28 3.583 12.431 1.798 204 HG3 GLN 28 HG3 GLN 28 3.668 13.085 0.139 205 HE21 GLN 28 HE21 GLN 28 4.744 10.835 -0.131 206 HE22 GLN 28 HE22 GLN 28 6.448 10.782 0.137 207 H THR 29 H THR 29 0.763 16.167 0.146 208 HA THR 29 HA THR 29 1.807 15.356 -2.439 209 HB THR 29 HB THR 29 -0.633 17.072 -1.748 210 HG1 THR 29 HG1 THR 29 -0.656 14.724 -1.252 211 HG21 THR 29 HG21 THR 29 -1.301 16.643 -4.130 212 HG22 THR 29 HG22 THR 29 0.306 15.929 -4.457 213 HG23 THR 29 HG23 THR 29 0.159 17.668 -4.050 214 H LYS 30 H LYS 30 1.255 18.636 -0.844 215 HA LYS 30 HA LYS 30 2.331 19.957 -3.141 216 HB2 LYS 30 HB2 LYS 30 0.803 21.056 -1.498 217 HB3 LYS 30 HB3 LYS 30 2.073 20.985 -0.259 218 HG2 LYS 30 HG2 LYS 30 1.909 23.241 -1.238 219 HG3 LYS 30 HG3 LYS 30 3.515 22.529 -1.535 220 HD2 LYS 30 HD2 LYS 30 2.614 23.820 -3.482 221 HD3 LYS 30 HD3 LYS 30 2.976 22.136 -3.911 222 HE2 LYS 30 HE2 LYS 30 0.559 21.559 -3.866 223 HE3 LYS 30 HE3 LYS 30 0.146 23.157 -3.185 224 HZ1 LYS 30 HZ1 LYS 30 1.410 22.709 -5.913 225 HZ2 LYS 30 HZ2 LYS 30 0.880 24.236 -5.259 226 HZ3 LYS 30 HZ3 LYS 30 -0.282 22.997 -5.629 227 H ILE 31 H ILE 31 3.851 19.117 0.095 228 HA ILE 31 HA ILE 31 6.275 20.392 -0.639 229 HB ILE 31 HB ILE 31 5.619 19.867 1.731 230 HG12 ILE 31 HG12 ILE 31 7.951 19.221 2.556 231 HG13 ILE 31 HG13 ILE 31 8.443 18.992 0.861 232 HG21 ILE 31 HG21 ILE 31 6.053 17.653 2.719 233 HG22 ILE 31 HG22 ILE 31 4.978 17.444 1.324 234 HG23 ILE 31 HG23 ILE 31 6.710 17.042 1.180 235 HD11 ILE 31 HD11 ILE 31 9.092 21.237 1.859 236 HD12 ILE 31 HD12 ILE 31 8.039 21.458 0.444 237 HD13 ILE 31 HD13 ILE 31 7.367 21.627 2.094 238 H THR 32 H THR 32 5.240 16.894 -1.038 239 HA THR 32 HA THR 32 7.883 16.425 -2.391 240 HB THR 32 HB THR 32 5.931 14.396 -1.204 241 HG1 THR 32 HG1 THR 32 7.695 14.298 0.382 242 HG21 THR 32 HG21 THR 32 8.735 14.041 -2.431 243 HG22 THR 32 HG22 THR 32 7.205 13.471 -3.170 244 HG23 THR 32 HG23 THR 32 7.770 12.765 -1.630 245 H ASP 33 H ASP 33 4.344 15.424 -2.741 246 HA ASP 33 HA ASP 33 3.098 15.170 -4.652 247 HB2 ASP 33 HB2 ASP 33 4.321 17.470 -5.294 248 HB3 ASP 33 HB3 ASP 33 5.236 16.453 -6.427 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 -4.981 -14.691 -14.158 2 HA HIS 1 HA HIS 1 -2.918 -15.527 -15.258 3 HB2 HIS 1 HB2 HIS 1 -2.024 -12.639 -14.681 4 HB3 HIS 1 HB3 HIS 1 -0.912 -13.976 -15.087 5 HD1 HIS 1 HD1 HIS 1 -0.206 -12.995 -17.280 6 HD2 HIS 1 HD2 HIS 1 -4.361 -13.604 -16.989 7 HE1 HIS 1 HE1 HIS 1 -1.115 -12.712 -19.620 8 H ALA 2 H ALA 2 -2.373 -17.048 -13.562 9 HA ALA 2 HA ALA 2 -1.692 -17.802 -11.482 10 HB1 ALA 2 HB1 ALA 2 0.195 -16.576 -10.482 11 HB2 ALA 2 HB2 ALA 2 0.375 -16.663 -12.261 12 HB3 ALA 2 HB3 ALA 2 -0.141 -15.139 -11.488 13 H ASP 3 H ASP 3 -4.124 -17.456 -10.957 14 HA ASP 3 HA ASP 3 -4.353 -15.443 -8.716 15 HB2 ASP 3 HB2 ASP 3 -6.520 -16.756 -10.474 16 HB3 ASP 3 HB3 ASP 3 -6.818 -15.633 -9.122 17 H GLY 4 H GLY 4 -5.852 -16.253 -6.893 18 HA2 GLY 4 HA2 GLY 4 -6.474 -19.017 -6.673 19 HA3 GLY 4 HA3 GLY 4 -4.900 -18.738 -5.870 20 H SER 5 H SER 5 -7.121 -19.597 -4.282 21 HA SER 5 HA SER 5 -8.633 -17.337 -3.349 22 HB2 SER 5 HB2 SER 5 -9.531 -19.580 -3.019 23 HB3 SER 5 HB3 SER 5 -8.168 -20.048 -1.979 24 HG SER 5 HG SER 5 -10.019 -17.974 -1.305 25 H PHE 6 H PHE 6 -6.013 -19.188 -1.533 26 HA PHE 6 HA PHE 6 -5.553 -16.701 0.034 27 HB2 PHE 6 HB2 PHE 6 -4.247 -18.052 1.557 28 HB3 PHE 6 HB3 PHE 6 -5.813 -18.834 1.267 29 HD1 PHE 6 HD1 PHE 6 -2.164 -18.912 0.413 30 HD2 PHE 6 HD2 PHE 6 -5.886 -21.069 0.236 31 HE1 PHE 6 HE1 PHE 6 -0.967 -20.920 -0.385 32 HE2 PHE 6 HE2 PHE 6 -4.681 -23.075 -0.551 33 HZ PHE 6 HZ PHE 6 -2.221 -23.006 -0.874 34 H SER 7 H SER 7 -3.853 -18.777 -2.479 35 HA SER 7 HA SER 7 -1.313 -17.657 -2.115 36 HB2 SER 7 HB2 SER 7 -2.715 -18.410 -4.750 37 HB3 SER 7 HB3 SER 7 -0.976 -18.036 -4.623 38 HG SER 7 HG SER 7 -0.851 -19.895 -3.141 39 H ASP 8 H ASP 8 -4.267 -16.168 -3.706 40 HA ASP 8 HA ASP 8 -2.879 -13.927 -4.764 41 HB2 ASP 8 HB2 ASP 8 -5.294 -14.266 -5.229 42 HB3 ASP 8 HB3 ASP 8 -5.692 -14.016 -3.506 43 H GLU 9 H GLU 9 -4.173 -14.573 -1.396 44 HA GLU 9 HA GLU 9 -3.341 -11.989 -0.458 45 HB2 GLU 9 HB2 GLU 9 -3.957 -14.559 1.125 46 HB3 GLU 9 HB3 GLU 9 -3.630 -12.977 1.871 47 HG2 GLU 9 HG2 GLU 9 -5.583 -11.968 0.702 48 HG3 GLU 9 HG3 GLU 9 -5.956 -13.535 -0.073 49 H MET 10 H MET 10 -1.238 -14.582 -1.406 50 HA MET 10 HA MET 10 0.701 -14.520 0.584 51 HB2 MET 10 HB2 MET 10 0.845 -15.823 -1.629 52 HB3 MET 10 HB3 MET 10 1.209 -14.285 -2.436 53 HG2 MET 10 HG2 MET 10 3.436 -14.848 -2.065 54 HG3 MET 10 HG3 MET 10 3.183 -14.377 -0.370 55 HE1 MET 10 HE1 MET 10 1.214 -16.980 0.657 56 HE2 MET 10 HE2 MET 10 2.568 -17.968 1.284 57 HE3 MET 10 HE3 MET 10 2.559 -16.197 1.561 58 H ASN 11 H ASN 11 0.013 -12.004 -1.996 59 HA ASN 11 HA ASN 11 2.260 -10.363 -1.006 60 HB2 ASN 11 HB2 ASN 11 0.134 -9.764 -3.128 61 HB3 ASN 11 HB3 ASN 11 1.618 -8.819 -2.824 62 HD21 ASN 11 HD21 ASN 11 1.481 -9.569 -5.378 63 HD22 ASN 11 HD22 ASN 11 2.478 -10.940 -5.695 64 H THR 12 H THR 12 -0.673 -10.846 0.549 65 HA THR 12 HA THR 12 -1.597 -8.206 0.912 66 HB THR 12 HB THR 12 -1.515 -10.524 2.936 67 HG1 THR 12 HG1 THR 12 -3.543 -9.828 1.029 68 HG21 THR 12 HG21 THR 12 -2.099 -8.381 4.108 69 HG22 THR 12 HG22 THR 12 -3.538 -9.425 3.945 70 HG23 THR 12 HG23 THR 12 -3.329 -8.027 2.853 71 H ILE 13 H ILE 13 1.328 -9.885 2.210 72 HA ILE 13 HA ILE 13 1.949 -8.318 4.390 73 HB ILE 13 HB ILE 13 3.939 -8.958 2.118 74 HG12 ILE 13 HG12 ILE 13 3.147 -11.137 2.816 75 HG13 ILE 13 HG13 ILE 13 4.719 -10.872 3.554 76 HG21 ILE 13 HG21 ILE 13 5.707 -8.711 3.907 77 HG22 ILE 13 HG22 ILE 13 4.858 -7.196 3.567 78 HG23 ILE 13 HG23 ILE 13 4.454 -8.122 5.033 79 HD11 ILE 13 HD11 ILE 13 1.981 -10.647 4.971 80 HD12 ILE 13 HD12 ILE 13 3.208 -11.917 5.181 81 HD13 ILE 13 HD13 ILE 13 3.547 -10.263 5.751 82 H LEU 14 H LEU 14 2.406 -7.402 0.891 83 HA LEU 14 HA LEU 14 3.489 -4.829 1.596 84 HB2 LEU 14 HB2 LEU 14 2.156 -5.820 -0.975 85 HB3 LEU 14 HB3 LEU 14 2.940 -4.234 -0.846 86 HG LEU 14 HG LEU 14 4.519 -6.793 -0.167 87 HD11 LEU 14 HD11 LEU 14 4.215 -5.535 -2.958 88 HD12 LEU 14 HD12 LEU 14 3.624 -7.148 -2.459 89 HD13 LEU 14 HD13 LEU 14 5.374 -6.825 -2.520 90 HD21 LEU 14 HD21 LEU 14 6.491 -5.391 -0.766 91 HD22 LEU 14 HD22 LEU 14 5.550 -4.584 0.503 92 HD23 LEU 14 HD23 LEU 14 5.421 -4.025 -1.185 93 H ASP 15 H ASP 15 0.092 -5.998 0.850 94 HA ASP 15 HA ASP 15 -1.124 -3.587 0.474 95 HB2 ASP 15 HB2 ASP 15 -2.346 -5.784 0.499 96 HB3 ASP 15 HB3 ASP 15 -2.286 -5.782 2.283 97 H ASN 16 H ASN 16 -0.098 -4.857 3.767 98 HA ASN 16 HA ASN 16 -1.551 -2.799 5.165 99 HB2 ASN 16 HB2 ASN 16 0.710 -4.668 6.026 100 HB3 ASN 16 HB3 ASN 16 0.338 -3.226 6.987 101 HD21 ASN 16 HD21 ASN 16 -1.834 -5.695 5.264 102 HD22 ASN 16 HD22 ASN 16 -2.751 -5.988 6.691 103 H LEU 17 H LEU 17 2.095 -2.992 4.813 104 HA LEU 17 HA LEU 17 2.407 -0.287 5.502 105 HB2 LEU 17 HB2 LEU 17 4.710 -0.423 4.634 106 HB3 LEU 17 HB3 LEU 17 4.244 -1.882 5.522 107 HG LEU 17 HG LEU 17 3.640 -2.798 3.027 108 HD11 LEU 17 HD11 LEU 17 5.909 -0.808 2.423 109 HD12 LEU 17 HD12 LEU 17 4.241 -0.593 1.847 110 HD13 LEU 17 HD13 LEU 17 5.193 -1.982 1.286 111 HD21 LEU 17 HD21 LEU 17 5.256 -3.902 4.546 112 HD22 LEU 17 HD22 LEU 17 6.487 -2.668 4.148 113 HD23 LEU 17 HD23 LEU 17 5.920 -3.815 2.900 114 H ALA 18 H ALA 18 1.542 -1.658 2.297 115 HA ALA 18 HA ALA 18 2.226 0.735 0.856 116 HB1 ALA 18 HB1 ALA 18 0.237 -1.487 0.093 117 HB2 ALA 18 HB2 ALA 18 0.923 -0.253 -0.998 118 HB3 ALA 18 HB3 ALA 18 1.992 -1.485 -0.274 119 H ALA 19 H ALA 19 -0.848 -0.504 2.418 120 HA ALA 19 HA ALA 19 -2.592 1.436 1.420 121 HB1 ALA 19 HB1 ALA 19 -3.373 -0.388 2.956 122 HB2 ALA 19 HB2 ALA 19 -2.497 0.365 4.322 123 HB3 ALA 19 HB3 ALA 19 -3.878 1.213 3.570 124 H ARG 20 H ARG 20 -0.229 1.673 4.201 125 HA ARG 20 HA ARG 20 -1.041 4.440 4.714 126 HB2 ARG 20 HB2 ARG 20 1.447 2.973 5.749 127 HB3 ARG 20 HB3 ARG 20 0.757 4.500 6.352 128 HG2 ARG 20 HG2 ARG 20 -0.446 1.662 6.620 129 HG3 ARG 20 HG3 ARG 20 0.104 2.767 7.898 130 HD2 ARG 20 HD2 ARG 20 -1.769 4.369 7.190 131 HD3 ARG 20 HD3 ARG 20 -2.366 3.063 6.094 132 HE ARG 20 HE ARG 20 -2.095 1.980 8.715 133 HH11 ARG 20 HH12 ARG 20 -4.120 4.360 6.908 134 HH12 ARG 20 HH11 ARG 20 -5.505 4.074 7.954 135 HH21 ARG 20 HH22 ARG 20 -3.923 1.699 9.998 136 HH22 ARG 20 HH21 ARG 20 -5.402 2.605 9.666 137 H ASP 21 H ASP 21 1.577 2.842 2.753 138 HA ASP 21 HA ASP 21 3.183 5.083 2.404 139 HB2 ASP 21 HB2 ASP 21 3.649 2.893 1.260 140 HB3 ASP 21 HB3 ASP 21 2.274 3.174 0.155 141 H PHE 22 H PHE 22 -0.063 4.360 0.862 142 HA PHE 22 HA PHE 22 0.187 6.806 -0.730 143 HB2 PHE 22 HB2 PHE 22 -2.429 5.293 -0.527 144 HB3 PHE 22 HB3 PHE 22 -1.751 6.175 -1.903 145 HD1 PHE 22 HD1 PHE 22 0.850 5.155 -2.457 146 HD2 PHE 22 HD2 PHE 22 -2.490 2.953 -0.859 147 HE1 PHE 22 HE1 PHE 22 1.789 3.056 -3.364 148 HE2 PHE 22 HE2 PHE 22 -1.568 0.871 -1.806 149 HZ PHE 22 HZ PHE 22 0.528 0.931 -3.142 150 H ILE 23 H ILE 23 -2.068 5.570 1.905 151 HA ILE 23 HA ILE 23 -3.561 7.963 2.033 152 HB ILE 23 HB ILE 23 -2.959 5.778 4.082 153 HG12 ILE 23 HG12 ILE 23 -4.587 5.424 2.132 154 HG13 ILE 23 HG13 ILE 23 -5.197 5.044 3.757 155 HG21 ILE 23 HG21 ILE 23 -4.548 8.306 4.720 156 HG22 ILE 23 HG22 ILE 23 -4.651 6.785 5.662 157 HG23 ILE 23 HG23 ILE 23 -3.113 7.670 5.570 158 HD11 ILE 23 HD11 ILE 23 -6.898 6.243 2.351 159 HD12 ILE 23 HD12 ILE 23 -6.523 7.135 3.840 160 HD13 ILE 23 HD13 ILE 23 -5.859 7.685 2.277 161 H ASN 24 H ASN 24 -0.497 7.104 3.795 162 HA ASN 24 HA ASN 24 -0.587 9.771 5.033 163 HB2 ASN 24 HB2 ASN 24 0.537 7.322 5.896 164 HB3 ASN 24 HB3 ASN 24 1.954 8.223 5.332 165 HD21 ASN 24 HD21 ASN 24 2.678 8.224 7.664 166 HD22 ASN 24 HD22 ASN 24 1.862 9.213 8.816 167 H TRP 25 H TRP 25 0.189 8.960 1.887 168 HA TRP 25 HA TRP 25 2.403 10.908 1.707 169 HB2 TRP 25 HB2 TRP 25 2.827 9.576 -0.119 170 HB3 TRP 25 HB3 TRP 25 1.179 8.957 -0.209 171 HD1 TRP 25 HD1 TRP 25 2.972 12.284 -1.150 172 HE1 TRP 25 HE1 TRP 25 1.875 13.174 -3.236 173 HE3 TRP 25 HE3 TRP 25 -0.826 8.778 -1.720 174 HZ2 TRP 25 HZ2 TRP 25 -0.193 12.578 -4.931 175 HZ3 TRP 25 HZ3 TRP 25 -2.313 9.012 -3.701 176 HH2 TRP 25 HH2 TRP 25 -2.004 10.883 -5.292 177 H LEU 26 H LEU 26 -1.151 10.663 0.901 178 HA LEU 26 HA LEU 26 -1.461 13.051 -0.435 179 HB2 LEU 26 HB2 LEU 26 -3.310 11.999 1.763 180 HB3 LEU 26 HB3 LEU 26 -3.745 13.283 0.612 181 HG LEU 26 HG LEU 26 -3.149 10.349 -0.180 182 HD11 LEU 26 HD11 LEU 26 -5.808 11.884 -0.066 183 HD12 LEU 26 HD12 LEU 26 -5.295 10.621 1.089 184 HD13 LEU 26 HD13 LEU 26 -5.581 10.201 -0.618 185 HD21 LEU 26 HD21 LEU 26 -4.092 12.726 -1.897 186 HD22 LEU 26 HD22 LEU 26 -4.051 11.022 -2.427 187 HD23 LEU 26 HD23 LEU 26 -2.538 11.867 -2.071 188 H ILE 27 H ILE 27 -1.185 12.642 3.159 189 HA ILE 27 HA ILE 27 -1.629 15.440 3.629 190 HB ILE 27 HB ILE 27 -0.885 15.114 5.918 191 HG12 ILE 27 HG12 ILE 27 -0.314 12.492 6.495 192 HG13 ILE 27 HG13 ILE 27 0.388 12.562 4.876 193 HG21 ILE 27 HG21 ILE 27 -2.610 12.723 5.037 194 HG22 ILE 27 HG22 ILE 27 -2.569 13.495 6.642 195 HG23 ILE 27 HG23 ILE 27 -3.191 14.401 5.242 196 HD11 ILE 27 HD11 ILE 27 1.100 14.299 7.319 197 HD12 ILE 27 HD12 ILE 27 2.127 13.077 6.519 198 HD13 ILE 27 HD13 ILE 27 1.761 14.621 5.700 199 H GLN 28 H GLN 28 1.420 13.639 2.862 200 HA GLN 28 HA GLN 28 2.901 16.199 3.372 201 HB2 GLN 28 HB2 GLN 28 4.986 14.855 3.302 202 HB3 GLN 28 HB3 GLN 28 3.912 14.333 4.605 203 HG2 GLN 28 HG2 GLN 28 3.320 12.321 3.423 204 HG3 GLN 28 HG3 GLN 28 3.904 12.944 1.853 205 HE21 GLN 28 HE21 GLN 28 5.092 10.804 1.750 206 HE22 GLN 28 HE22 GLN 28 6.579 10.676 2.614 207 H THR 29 H THR 29 1.211 16.083 0.995 208 HA THR 29 HA THR 29 3.033 15.336 -1.205 209 HB THR 29 HB THR 29 0.260 16.627 -1.192 210 HG1 THR 29 HG1 THR 29 0.514 14.290 -0.710 211 HG21 THR 29 HG21 THR 29 2.055 15.797 -3.564 212 HG22 THR 29 HG22 THR 29 1.503 17.460 -3.202 213 HG23 THR 29 HG23 THR 29 0.319 16.206 -3.670 214 H LYS 30 H LYS 30 1.494 18.472 -0.050 215 HA LYS 30 HA LYS 30 3.365 19.918 -1.757 216 HB2 LYS 30 HB2 LYS 30 1.016 20.633 -1.488 217 HB3 LYS 30 HB3 LYS 30 1.274 20.901 0.251 218 HG2 LYS 30 HG2 LYS 30 1.275 23.031 -1.031 219 HG3 LYS 30 HG3 LYS 30 2.792 22.768 -0.157 220 HD2 LYS 30 HD2 LYS 30 3.158 23.746 -2.414 221 HD3 LYS 30 HD3 LYS 30 3.995 22.199 -2.232 222 HE2 LYS 30 HE2 LYS 30 2.998 22.409 -4.465 223 HE3 LYS 30 HE3 LYS 30 2.245 21.051 -3.610 224 HZ1 LYS 30 HZ1 LYS 30 1.024 23.831 -3.837 225 HZ2 LYS 30 HZ2 LYS 30 0.243 22.410 -3.183 226 HZ3 LYS 30 HZ3 LYS 30 0.634 22.488 -4.864 227 H ILE 31 H ILE 31 3.397 18.878 1.706 228 HA ILE 31 HA ILE 31 4.974 21.002 2.614 229 HB ILE 31 HB ILE 31 3.977 19.135 4.079 230 HG12 ILE 31 HG12 ILE 31 6.012 19.103 5.722 231 HG13 ILE 31 HG13 ILE 31 6.864 20.096 4.522 232 HG21 ILE 31 HG21 ILE 31 5.249 17.108 4.506 233 HG22 ILE 31 HG22 ILE 31 4.991 17.211 2.745 234 HG23 ILE 31 HG23 ILE 31 6.580 17.633 3.445 235 HD11 ILE 31 HD11 ILE 31 5.015 21.867 4.792 236 HD12 ILE 31 HD12 ILE 31 4.210 20.785 5.963 237 HD13 ILE 31 HD13 ILE 31 5.814 21.473 6.332 238 H THR 32 H THR 32 5.972 18.005 0.783 239 HA THR 32 HA THR 32 8.786 19.016 0.853 240 HB THR 32 HB THR 32 7.704 16.281 0.003 241 HG1 THR 32 HG1 THR 32 8.584 15.717 2.130 242 HG21 THR 32 HG21 THR 32 10.127 15.615 0.112 243 HG22 THR 32 HG22 THR 32 10.585 17.290 0.532 244 HG23 THR 32 HG23 THR 32 9.918 16.920 -1.088 245 H ASP 33 H ASP 33 6.316 17.608 -1.532 246 HA ASP 33 HA ASP 33 6.199 17.883 -3.815 247 HB2 ASP 33 HB2 ASP 33 5.521 20.171 -3.037 248 HB3 ASP 33 HB3 ASP 33 7.211 20.716 -3.146 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 4.479 -18.162 -8.908 2 HA HIS 1 HA HIS 1 2.906 -15.852 -9.928 3 HB2 HIS 1 HB2 HIS 1 2.629 -18.832 -10.686 4 HB3 HIS 1 HB3 HIS 1 1.443 -17.567 -11.097 5 HD1 HIS 1 HD1 HIS 1 1.825 -17.837 -13.571 6 HD2 HIS 1 HD2 HIS 1 5.304 -16.759 -11.455 7 HE1 HIS 1 HE1 HIS 1 3.516 -17.132 -15.310 8 H ALA 2 H ALA 2 0.541 -15.855 -9.205 9 HA ALA 2 HA ALA 2 -0.172 -17.646 -6.991 10 HB1 ALA 2 HB1 ALA 2 0.768 -14.750 -6.449 11 HB2 ALA 2 HB2 ALA 2 -0.076 -15.793 -5.268 12 HB3 ALA 2 HB3 ALA 2 1.548 -16.239 -5.848 13 H ASP 3 H ASP 3 -2.042 -17.764 -8.589 14 HA ASP 3 HA ASP 3 -3.916 -15.432 -8.143 15 HB2 ASP 3 HB2 ASP 3 -3.567 -17.161 -10.669 16 HB3 ASP 3 HB3 ASP 3 -4.747 -15.841 -10.440 17 H GLY 4 H GLY 4 -4.053 -17.055 -6.156 18 HA2 GLY 4 HA2 GLY 4 -6.325 -18.938 -6.803 19 HA3 GLY 4 HA3 GLY 4 -4.985 -19.384 -5.712 20 H SER 5 H SER 5 -7.158 -19.615 -4.291 21 HA SER 5 HA SER 5 -8.473 -17.179 -3.568 22 HB2 SER 5 HB2 SER 5 -9.605 -19.294 -3.196 23 HB3 SER 5 HB3 SER 5 -8.362 -19.839 -2.040 24 HG SER 5 HG SER 5 -10.200 -18.804 -0.933 25 H PHE 6 H PHE 6 -6.209 -19.145 -1.418 26 HA PHE 6 HA PHE 6 -5.658 -16.657 0.070 27 HB2 PHE 6 HB2 PHE 6 -4.367 -18.017 1.603 28 HB3 PHE 6 HB3 PHE 6 -5.915 -18.830 1.290 29 HD1 PHE 6 HD1 PHE 6 -2.246 -18.817 0.503 30 HD2 PHE 6 HD2 PHE 6 -5.912 -21.060 0.227 31 HE1 PHE 6 HE1 PHE 6 -0.988 -20.777 -0.317 32 HE2 PHE 6 HE2 PHE 6 -4.646 -23.019 -0.584 33 HZ PHE 6 HZ PHE 6 -2.183 -22.884 -0.868 34 H SER 7 H SER 7 -4.034 -18.758 -2.438 35 HA SER 7 HA SER 7 -1.426 -17.808 -2.019 36 HB2 SER 7 HB2 SER 7 -2.784 -18.558 -4.669 37 HB3 SER 7 HB3 SER 7 -1.047 -18.185 -4.500 38 HG SER 7 HG SER 7 -2.318 -20.347 -3.118 39 H ASP 8 H ASP 8 -4.225 -16.168 -3.745 40 HA ASP 8 HA ASP 8 -2.585 -14.077 -4.768 41 HB2 ASP 8 HB2 ASP 8 -4.989 -14.418 -5.457 42 HB3 ASP 8 HB3 ASP 8 -5.522 -13.838 -3.854 43 H GLU 9 H GLU 9 -4.179 -14.532 -1.509 44 HA GLU 9 HA GLU 9 -3.368 -11.940 -0.565 45 HB2 GLU 9 HB2 GLU 9 -4.042 -14.499 1.005 46 HB3 GLU 9 HB3 GLU 9 -3.720 -12.933 1.776 47 HG2 GLU 9 HG2 GLU 9 -5.632 -11.872 0.620 48 HG3 GLU 9 HG3 GLU 9 -5.989 -13.379 -0.263 49 H MET 10 H MET 10 -1.272 -14.616 -1.358 50 HA MET 10 HA MET 10 0.636 -14.454 0.659 51 HB2 MET 10 HB2 MET 10 0.787 -15.889 -1.424 52 HB3 MET 10 HB3 MET 10 1.166 -14.441 -2.376 53 HG2 MET 10 HG2 MET 10 3.414 -14.674 -1.834 54 HG3 MET 10 HG3 MET 10 3.059 -14.583 -0.094 55 HE1 MET 10 HE1 MET 10 2.907 -16.655 1.532 56 HE2 MET 10 HE2 MET 10 1.362 -17.048 0.708 57 HE3 MET 10 HE3 MET 10 2.598 -18.321 0.949 58 H ASN 11 H ASN 11 -0.144 -12.013 -1.932 59 HA ASN 11 HA ASN 11 2.211 -10.406 -1.231 60 HB2 ASN 11 HB2 ASN 11 -0.167 -9.616 -2.990 61 HB3 ASN 11 HB3 ASN 11 1.444 -8.868 -2.963 62 HD21 ASN 11 HD21 ASN 11 -0.462 -11.547 -4.368 63 HD22 ASN 11 HD22 ASN 11 0.865 -12.268 -5.194 64 H THR 12 H THR 12 -0.770 -10.783 0.461 65 HA THR 12 HA THR 12 -1.553 -8.153 0.917 66 HB THR 12 HB THR 12 -1.488 -10.481 2.924 67 HG1 THR 12 HG1 THR 12 -3.504 -9.781 1.003 68 HG21 THR 12 HG21 THR 12 -3.306 -7.987 2.836 69 HG22 THR 12 HG22 THR 12 -2.082 -8.338 4.097 70 HG23 THR 12 HG23 THR 12 -3.516 -9.384 3.927 71 H ILE 13 H ILE 13 1.373 -9.850 2.194 72 HA ILE 13 HA ILE 13 1.974 -8.292 4.398 73 HB ILE 13 HB ILE 13 3.976 -8.928 2.135 74 HG12 ILE 13 HG12 ILE 13 3.187 -11.104 2.841 75 HG13 ILE 13 HG13 ILE 13 4.754 -10.835 3.592 76 HG21 ILE 13 HG21 ILE 13 4.483 -8.077 5.047 77 HG22 ILE 13 HG22 ILE 13 5.742 -8.668 3.927 78 HG23 ILE 13 HG23 ILE 13 4.890 -7.157 3.577 79 HD11 ILE 13 HD11 ILE 13 3.238 -11.867 5.218 80 HD12 ILE 13 HD12 ILE 13 3.551 -10.202 5.773 81 HD13 ILE 13 HD13 ILE 13 1.999 -10.615 4.978 82 H LEU 14 H LEU 14 2.426 -7.363 0.902 83 HA LEU 14 HA LEU 14 3.510 -4.793 1.635 84 HB2 LEU 14 HB2 LEU 14 2.224 -5.764 -0.964 85 HB3 LEU 14 HB3 LEU 14 3.034 -4.192 -0.813 86 HG LEU 14 HG LEU 14 4.556 -6.780 -0.108 87 HD11 LEU 14 HD11 LEU 14 3.715 -7.118 -2.425 88 HD12 LEU 14 HD12 LEU 14 5.472 -6.815 -2.433 89 HD13 LEU 14 HD13 LEU 14 4.340 -5.508 -2.895 90 HD21 LEU 14 HD21 LEU 14 6.568 -5.420 -0.611 91 HD22 LEU 14 HD22 LEU 14 5.587 -4.554 0.585 92 HD23 LEU 14 HD23 LEU 14 5.555 -4.042 -1.121 93 H ASP 15 H ASP 15 0.123 -5.966 0.863 94 HA ASP 15 HA ASP 15 -1.087 -3.545 0.491 95 HB2 ASP 15 HB2 ASP 15 -2.335 -5.722 0.480 96 HB3 ASP 15 HB3 ASP 15 -2.236 -5.774 2.264 97 H ASN 16 H ASN 16 -0.055 -4.830 3.776 98 HA ASN 16 HA ASN 16 -1.516 -2.777 5.181 99 HB2 ASN 16 HB2 ASN 16 0.742 -4.653 6.040 100 HB3 ASN 16 HB3 ASN 16 0.376 -3.209 7.002 101 HD21 ASN 16 HD21 ASN 16 -1.808 -5.664 5.273 102 HD22 ASN 16 HD22 ASN 16 -2.728 -5.956 6.700 103 H LEU 17 H LEU 17 2.132 -2.974 4.812 104 HA LEU 17 HA LEU 17 2.441 -0.270 5.522 105 HB2 LEU 17 HB2 LEU 17 4.743 -0.395 4.663 106 HB3 LEU 17 HB3 LEU 17 4.273 -1.864 5.532 107 HG LEU 17 HG LEU 17 3.686 -2.746 3.018 108 HD11 LEU 17 HD11 LEU 17 4.287 -0.513 1.885 109 HD12 LEU 17 HD12 LEU 17 5.225 -1.898 1.289 110 HD13 LEU 17 HD13 LEU 17 5.957 -0.751 2.446 111 HD21 LEU 17 HD21 LEU 17 5.299 -3.868 4.518 112 HD22 LEU 17 HD22 LEU 17 6.527 -2.617 4.161 113 HD23 LEU 17 HD23 LEU 17 5.987 -3.742 2.884 114 H ALA 18 H ALA 18 1.583 -1.637 2.311 115 HA ALA 18 HA ALA 18 2.269 0.762 0.881 116 HB1 ALA 18 HB1 ALA 18 0.311 -1.473 0.083 117 HB2 ALA 18 HB2 ALA 18 1.008 -0.232 -0.996 118 HB3 ALA 18 HB3 ALA 18 2.074 -1.459 -0.253 119 H ALA 19 H ALA 19 -0.802 -0.504 2.426 120 HA ALA 19 HA ALA 19 -2.567 1.400 1.402 121 HB1 ALA 19 HB1 ALA 19 -3.340 -0.399 2.969 122 HB2 ALA 19 HB2 ALA 19 -2.459 0.372 4.322 123 HB3 ALA 19 HB3 ALA 19 -3.845 1.210 3.566 124 H ARG 20 H ARG 20 -0.225 1.706 4.206 125 HA ARG 20 HA ARG 20 -1.044 4.478 4.609 126 HB2 ARG 20 HB2 ARG 20 1.415 3.017 5.733 127 HB3 ARG 20 HB3 ARG 20 0.802 4.614 6.234 128 HG2 ARG 20 HG2 ARG 20 -0.587 1.887 6.664 129 HG3 ARG 20 HG3 ARG 20 0.082 2.983 7.881 130 HD2 ARG 20 HD2 ARG 20 -1.781 4.734 6.873 131 HD3 ARG 20 HD3 ARG 20 -2.464 3.259 6.212 132 HE ARG 20 HE ARG 20 -3.192 2.628 8.314 133 HH11 ARG 20 HH12 ARG 20 -0.643 5.174 8.725 134 HH12 ARG 20 HH11 ARG 20 -1.015 5.348 10.431 135 HH21 ARG 20 HH22 ARG 20 -3.550 2.929 10.510 136 HH22 ARG 20 HH21 ARG 20 -2.604 4.104 11.426 137 H ASP 21 H ASP 21 1.642 2.853 2.758 138 HA ASP 21 HA ASP 21 3.231 5.076 2.367 139 HB2 ASP 21 HB2 ASP 21 3.714 2.902 1.218 140 HB3 ASP 21 HB3 ASP 21 2.300 3.146 0.150 141 H PHE 22 H PHE 22 -0.020 4.377 0.841 142 HA PHE 22 HA PHE 22 0.239 6.827 -0.750 143 HB2 PHE 22 HB2 PHE 22 -2.381 5.332 -0.590 144 HB3 PHE 22 HB3 PHE 22 -1.659 6.191 -1.955 145 HD1 PHE 22 HD1 PHE 22 0.949 5.132 -2.426 146 HD2 PHE 22 HD2 PHE 22 -2.462 2.987 -0.901 147 HE1 PHE 22 HE1 PHE 22 1.865 3.019 -3.324 148 HE2 PHE 22 HE2 PHE 22 -1.555 0.889 -1.830 149 HZ PHE 22 HZ PHE 22 0.561 0.917 -3.136 150 H ILE 23 H ILE 23 -2.083 5.552 1.810 151 HA ILE 23 HA ILE 23 -3.582 7.922 1.956 152 HB ILE 23 HB ILE 23 -2.979 5.733 3.997 153 HG12 ILE 23 HG12 ILE 23 -4.557 5.347 2.017 154 HG13 ILE 23 HG13 ILE 23 -5.189 4.947 3.628 155 HG21 ILE 23 HG21 ILE 23 -4.639 8.218 4.622 156 HG22 ILE 23 HG22 ILE 23 -4.720 6.688 5.552 157 HG23 ILE 23 HG23 ILE 23 -3.203 7.613 5.492 158 HD11 ILE 23 HD11 ILE 23 -6.565 7.008 3.690 159 HD12 ILE 23 HD12 ILE 23 -5.885 7.572 2.139 160 HD13 ILE 23 HD13 ILE 23 -6.893 6.107 2.195 161 H ASN 24 H ASN 24 -0.601 7.065 3.848 162 HA ASN 24 HA ASN 24 -0.743 9.558 5.242 163 HB2 ASN 24 HB2 ASN 24 0.850 7.254 5.633 164 HB3 ASN 24 HB3 ASN 24 2.023 8.466 5.103 165 HD21 ASN 24 HD21 ASN 24 2.897 9.411 7.112 166 HD22 ASN 24 HD22 ASN 24 1.941 9.654 8.525 167 H TRP 25 H TRP 25 0.839 8.566 2.138 168 HA TRP 25 HA TRP 25 2.433 10.815 1.776 169 HB2 TRP 25 HB2 TRP 25 2.818 9.465 -0.052 170 HB3 TRP 25 HB3 TRP 25 1.136 8.931 -0.153 171 HD1 TRP 25 HD1 TRP 25 3.039 12.206 -1.051 172 HE1 TRP 25 HE1 TRP 25 1.981 13.131 -3.147 173 HE3 TRP 25 HE3 TRP 25 -0.845 8.798 -1.667 174 HZ2 TRP 25 HZ2 TRP 25 -0.075 12.577 -4.873 175 HZ3 TRP 25 HZ3 TRP 25 -2.285 9.054 -3.677 176 HH2 TRP 25 HH2 TRP 25 -1.910 10.916 -5.266 177 H LEU 26 H LEU 26 -1.136 10.550 1.039 178 HA LEU 26 HA LEU 26 -1.354 12.941 -0.351 179 HB2 LEU 26 HB2 LEU 26 -3.333 11.856 1.729 180 HB3 LEU 26 HB3 LEU 26 -3.723 13.178 0.603 181 HG LEU 26 HG LEU 26 -3.058 10.295 -0.290 182 HD11 LEU 26 HD11 LEU 26 -5.751 11.771 -0.141 183 HD12 LEU 26 HD12 LEU 26 -5.233 10.454 0.951 184 HD13 LEU 26 HD13 LEU 26 -5.488 10.124 -0.781 185 HD21 LEU 26 HD21 LEU 26 -3.945 11.068 -2.519 186 HD22 LEU 26 HD22 LEU 26 -2.467 11.949 -2.091 187 HD23 LEU 26 HD23 LEU 26 -4.055 12.738 -1.900 188 H ILE 27 H ILE 27 -0.889 12.652 3.232 189 HA ILE 27 HA ILE 27 -1.735 15.428 3.604 190 HB ILE 27 HB ILE 27 -0.116 13.668 5.522 191 HG12 ILE 27 HG12 ILE 27 -2.234 13.719 6.917 192 HG13 ILE 27 HG13 ILE 27 -3.111 14.475 5.562 193 HG21 ILE 27 HG21 ILE 27 -0.620 15.481 7.207 194 HG22 ILE 27 HG22 ILE 27 0.356 16.116 5.871 195 HG23 ILE 27 HG23 ILE 27 -1.401 16.443 5.920 196 HD11 ILE 27 HD11 ILE 27 -3.424 11.920 5.904 197 HD12 ILE 27 HD12 ILE 27 -2.952 12.378 4.258 198 HD13 ILE 27 HD13 ILE 27 -1.725 11.727 5.401 199 H GLN 28 H GLN 28 1.431 13.584 3.409 200 HA GLN 28 HA GLN 28 2.909 16.104 3.621 201 HB2 GLN 28 HB2 GLN 28 4.903 14.746 3.527 202 HB3 GLN 28 HB3 GLN 28 3.786 14.119 4.741 203 HG2 GLN 28 HG2 GLN 28 3.350 12.145 3.517 204 HG3 GLN 28 HG3 GLN 28 3.674 12.900 1.933 205 HE21 GLN 28 HE21 GLN 28 6.032 13.574 1.457 206 HE22 GLN 28 HE22 GLN 28 7.236 12.488 2.047 207 H THR 29 H THR 29 1.183 16.172 1.246 208 HA THR 29 HA THR 29 3.163 15.911 -0.974 209 HB THR 29 HB THR 29 0.133 16.386 -0.982 210 HG1 THR 29 HG1 THR 29 0.842 14.186 -0.395 211 HG21 THR 29 HG21 THR 29 2.124 15.880 -3.291 212 HG22 THR 29 HG22 THR 29 1.204 17.391 -3.016 213 HG23 THR 29 HG23 THR 29 0.344 15.884 -3.438 214 H LYS 30 H LYS 30 0.872 18.320 0.562 215 HA LYS 30 HA LYS 30 2.305 20.514 -0.925 216 HB2 LYS 30 HB2 LYS 30 0.181 21.856 -0.391 217 HB3 LYS 30 HB3 LYS 30 0.050 20.588 -1.619 218 HG2 LYS 30 HG2 LYS 30 -1.934 20.660 -0.142 219 HG3 LYS 30 HG3 LYS 30 -1.149 19.083 -0.170 220 HD2 LYS 30 HD2 LYS 30 0.031 19.888 2.118 221 HD3 LYS 30 HD3 LYS 30 -1.198 21.165 2.097 222 HE2 LYS 30 HE2 LYS 30 -1.601 18.094 2.103 223 HE3 LYS 30 HE3 LYS 30 -1.821 19.182 3.492 224 HZ1 LYS 30 HZ1 LYS 30 -3.530 19.114 0.972 225 HZ2 LYS 30 HZ2 LYS 30 -3.677 20.309 2.245 226 HZ3 LYS 30 HZ3 LYS 30 -3.979 18.622 2.563 227 H ILE 31 H ILE 31 3.451 19.226 1.433 228 HA ILE 31 HA ILE 31 3.779 21.718 2.916 229 HB ILE 31 HB ILE 31 1.829 20.883 4.064 230 HG12 ILE 31 HG12 ILE 31 4.387 20.533 5.756 231 HG13 ILE 31 HG13 ILE 31 3.570 22.071 5.380 232 HG21 ILE 31 HG21 ILE 31 1.587 18.731 5.153 233 HG22 ILE 31 HG22 ILE 31 2.159 18.409 3.509 234 HG23 ILE 31 HG23 ILE 31 3.298 18.323 4.892 235 HD11 ILE 31 HD11 ILE 31 1.494 21.215 6.613 236 HD12 ILE 31 HD12 ILE 31 2.453 19.797 7.140 237 HD13 ILE 31 HD13 ILE 31 2.938 21.433 7.643 238 H THR 32 H THR 32 4.705 18.099 3.006 239 HA THR 32 HA THR 32 7.403 19.016 3.756 240 HB THR 32 HB THR 32 6.589 16.182 2.993 241 HG1 THR 32 HG1 THR 32 6.161 17.415 5.549 242 HG21 THR 32 HG21 THR 32 9.025 16.625 3.339 243 HG22 THR 32 HG22 THR 32 8.356 15.531 4.590 244 HG23 THR 32 HG23 THR 32 8.677 17.245 4.984 245 H ASP 33 H ASP 33 5.724 17.257 0.944 246 HA ASP 33 HA ASP 33 8.227 17.066 -0.471 247 HB2 ASP 33 HB2 ASP 33 6.239 15.512 -0.821 248 HB3 ASP 33 HB3 ASP 33 5.400 16.849 -1.657 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 5.097 -24.869 -8.098 2 HA HIS 1 HA HIS 1 3.087 -23.989 -9.204 3 HB2 HIS 1 HB2 HIS 1 3.581 -26.512 -9.386 4 HB3 HIS 1 HB3 HIS 1 2.493 -26.768 -8.005 5 HD1 HIS 1 HD1 HIS 1 2.533 -25.869 -11.620 6 HD2 HIS 1 HD2 HIS 1 -0.226 -26.410 -8.495 7 HE1 HIS 1 HE1 HIS 1 0.267 -25.993 -12.728 8 H ALA 2 H ALA 2 0.708 -23.446 -8.915 9 HA ALA 2 HA ALA 2 0.229 -22.545 -6.181 10 HB1 ALA 2 HB1 ALA 2 -0.527 -21.174 -8.081 11 HB2 ALA 2 HB2 ALA 2 -1.622 -22.475 -8.631 12 HB3 ALA 2 HB3 ALA 2 -1.912 -21.664 -7.062 13 H ASP 3 H ASP 3 0.039 -24.481 -4.805 14 HA ASP 3 HA ASP 3 -2.134 -26.415 -5.601 15 HB2 ASP 3 HB2 ASP 3 0.198 -26.733 -3.632 16 HB3 ASP 3 HB3 ASP 3 -1.003 -27.978 -4.067 17 H GLY 4 H GLY 4 -3.500 -24.312 -4.812 18 HA2 GLY 4 HA2 GLY 4 -5.210 -24.844 -2.991 19 HA3 GLY 4 HA3 GLY 4 -3.879 -24.609 -1.831 20 H SER 5 H SER 5 -5.625 -22.992 -1.065 21 HA SER 5 HA SER 5 -5.772 -20.501 -2.628 22 HB2 SER 5 HB2 SER 5 -7.643 -21.311 -1.137 23 HB3 SER 5 HB3 SER 5 -6.578 -21.061 0.287 24 HG SER 5 HG SER 5 -7.919 -19.149 -0.193 25 H PHE 6 H PHE 6 -5.363 -18.557 -0.537 26 HA PHE 6 HA PHE 6 -3.699 -17.379 0.471 27 HB2 PHE 6 HB2 PHE 6 -3.217 -19.933 1.424 28 HB3 PHE 6 HB3 PHE 6 -1.672 -19.608 0.623 29 HD1 PHE 6 HD1 PHE 6 -4.218 -18.259 3.032 30 HD2 PHE 6 HD2 PHE 6 -0.103 -18.061 1.785 31 HE1 PHE 6 HE1 PHE 6 -3.656 -17.013 5.093 32 HE2 PHE 6 HE2 PHE 6 0.456 -16.819 3.854 33 HZ PHE 6 HZ PHE 6 -1.311 -16.313 5.523 34 H SER 7 H SER 7 -3.777 -18.170 -2.647 35 HA SER 7 HA SER 7 -0.971 -17.456 -3.287 36 HB2 SER 7 HB2 SER 7 -3.372 -18.084 -5.109 37 HB3 SER 7 HB3 SER 7 -1.729 -17.648 -5.649 38 HG SER 7 HG SER 7 -2.324 -19.957 -4.040 39 H ASP 8 H ASP 8 -4.400 -16.143 -3.869 40 HA ASP 8 HA ASP 8 -3.418 -13.617 -4.749 41 HB2 ASP 8 HB2 ASP 8 -5.648 -12.712 -4.235 42 HB3 ASP 8 HB3 ASP 8 -5.815 -14.301 -5.029 43 H GLU 9 H GLU 9 -3.990 -14.987 -1.416 44 HA GLU 9 HA GLU 9 -3.677 -12.337 -0.219 45 HB2 GLU 9 HB2 GLU 9 -3.668 -15.081 1.136 46 HB3 GLU 9 HB3 GLU 9 -3.740 -13.504 1.961 47 HG2 GLU 9 HG2 GLU 9 -5.933 -12.987 0.896 48 HG3 GLU 9 HG3 GLU 9 -5.885 -14.524 -0.007 49 H MET 10 H MET 10 -1.296 -14.657 -1.450 50 HA MET 10 HA MET 10 0.607 -14.383 0.594 51 HB2 MET 10 HB2 MET 10 2.336 -15.000 -0.946 52 HB3 MET 10 HB3 MET 10 0.865 -15.862 -1.457 53 HG2 MET 10 HG2 MET 10 1.887 -15.064 -3.485 54 HG3 MET 10 HG3 MET 10 0.575 -13.882 -3.199 55 HE1 MET 10 HE1 MET 10 1.775 -12.488 -5.035 56 HE2 MET 10 HE2 MET 10 3.339 -11.645 -4.800 57 HE3 MET 10 HE3 MET 10 3.309 -13.406 -5.144 58 H ASN 11 H ASN 11 -0.446 -11.999 -1.914 59 HA ASN 11 HA ASN 11 1.895 -10.322 -1.306 60 HB2 ASN 11 HB2 ASN 11 0.732 -10.721 -3.633 61 HB3 ASN 11 HB3 ASN 11 -0.456 -9.516 -3.080 62 HD21 ASN 11 HD21 ASN 11 0.710 -8.775 -5.338 63 HD22 ASN 11 HD22 ASN 11 2.057 -7.723 -5.114 64 H THR 12 H THR 12 -0.852 -10.857 0.549 65 HA THR 12 HA THR 12 -1.799 -8.221 0.971 66 HB THR 12 HB THR 12 -1.548 -10.516 3.000 67 HG1 THR 12 HG1 THR 12 -3.663 -9.981 1.136 68 HG21 THR 12 HG21 THR 12 -3.476 -8.097 2.914 69 HG22 THR 12 HG22 THR 12 -2.207 -8.385 4.144 70 HG23 THR 12 HG23 THR 12 -3.607 -9.483 4.032 71 H ILE 13 H ILE 13 1.306 -9.775 1.907 72 HA ILE 13 HA ILE 13 1.947 -8.268 4.150 73 HB ILE 13 HB ILE 13 3.861 -8.845 1.813 74 HG12 ILE 13 HG12 ILE 13 3.101 -11.014 2.605 75 HG13 ILE 13 HG13 ILE 13 4.742 -10.727 3.190 76 HG21 ILE 13 HG21 ILE 13 4.784 -7.040 3.194 77 HG22 ILE 13 HG22 ILE 13 4.452 -7.940 4.695 78 HG23 ILE 13 HG23 ILE 13 5.688 -8.525 3.546 79 HD11 ILE 13 HD11 ILE 13 2.158 -10.521 4.860 80 HD12 ILE 13 HD12 ILE 13 3.410 -11.783 4.954 81 HD13 ILE 13 HD13 ILE 13 3.797 -10.123 5.476 82 H LEU 14 H LEU 14 2.436 -7.196 0.641 83 HA LEU 14 HA LEU 14 3.284 -4.649 1.626 84 HB2 LEU 14 HB2 LEU 14 3.414 -3.798 -0.588 85 HB3 LEU 14 HB3 LEU 14 4.049 -5.459 -0.518 86 HG LEU 14 HG LEU 14 1.764 -6.219 -1.507 87 HD11 LEU 14 HD11 LEU 14 1.516 -3.203 -2.123 88 HD12 LEU 14 HD12 LEU 14 0.350 -4.186 -1.197 89 HD13 LEU 14 HD13 LEU 14 0.568 -4.489 -2.920 90 HD21 LEU 14 HD21 LEU 14 3.897 -6.126 -2.837 91 HD22 LEU 14 HD22 LEU 14 3.619 -4.393 -3.178 92 HD23 LEU 14 HD23 LEU 14 2.515 -5.628 -3.845 93 H ASP 15 H ASP 15 0.011 -5.956 1.003 94 HA ASP 15 HA ASP 15 -1.293 -3.530 0.512 95 HB2 ASP 15 HB2 ASP 15 -2.401 -5.786 0.469 96 HB3 ASP 15 HB3 ASP 15 -2.383 -5.805 2.260 97 H ASN 16 H ASN 16 -0.128 -4.846 3.718 98 HA ASN 16 HA ASN 16 -1.573 -2.848 5.230 99 HB2 ASN 16 HB2 ASN 16 0.783 -4.655 5.941 100 HB3 ASN 16 HB3 ASN 16 0.380 -3.253 6.957 101 HD21 ASN 16 HD21 ASN 16 -1.734 -5.790 5.248 102 HD22 ASN 16 HD22 ASN 16 -2.592 -6.145 6.699 103 H LEU 17 H LEU 17 2.042 -2.964 4.555 104 HA LEU 17 HA LEU 17 2.352 -0.290 5.391 105 HB2 LEU 17 HB2 LEU 17 4.588 -0.319 4.393 106 HB3 LEU 17 HB3 LEU 17 4.216 -1.867 5.178 107 HG LEU 17 HG LEU 17 3.459 -2.543 2.656 108 HD11 LEU 17 HD11 LEU 17 3.980 -0.253 1.651 109 HD12 LEU 17 HD12 LEU 17 4.913 -1.575 0.914 110 HD13 LEU 17 HD13 LEU 17 5.686 -0.490 2.105 111 HD21 LEU 17 HD21 LEU 17 5.731 -3.530 2.289 112 HD22 LEU 17 HD22 LEU 17 5.170 -3.770 3.963 113 HD23 LEU 17 HD23 LEU 17 6.384 -2.504 3.603 114 H ALA 18 H ALA 18 1.300 -1.528 2.161 115 HA ALA 18 HA ALA 18 1.858 0.975 0.831 116 HB1 ALA 18 HB1 ALA 18 -0.096 -1.252 0.012 117 HB2 ALA 18 HB2 ALA 18 0.461 0.099 -1.021 118 HB3 ALA 18 HB3 ALA 18 1.632 -1.134 -0.459 119 H ALA 19 H ALA 19 -1.118 -0.521 2.354 120 HA ALA 19 HA ALA 19 -2.970 1.389 1.569 121 HB1 ALA 19 HB1 ALA 19 -3.640 -0.577 2.952 122 HB2 ALA 19 HB2 ALA 19 -2.754 0.075 4.363 123 HB3 ALA 19 HB3 ALA 19 -4.191 0.934 3.733 124 H ARG 20 H ARG 20 -0.650 1.560 4.397 125 HA ARG 20 HA ARG 20 -1.663 4.245 4.988 126 HB2 ARG 20 HB2 ARG 20 -0.231 2.310 6.576 127 HB3 ARG 20 HB3 ARG 20 0.912 3.638 6.313 128 HG2 ARG 20 HG2 ARG 20 -0.285 4.185 8.344 129 HG3 ARG 20 HG3 ARG 20 -0.948 5.252 7.086 130 HD2 ARG 20 HD2 ARG 20 -2.822 4.392 8.377 131 HD3 ARG 20 HD3 ARG 20 -2.869 3.539 6.801 132 HE ARG 20 HE ARG 20 -1.357 2.001 8.729 133 HH11 ARG 20 HH12 ARG 20 -4.747 2.986 7.983 134 HH12 ARG 20 HH11 ARG 20 -5.402 1.540 8.740 135 HH21 ARG 20 HH22 ARG 20 -2.296 0.199 9.683 136 HH22 ARG 20 HH21 ARG 20 -4.050 -0.002 9.693 137 H ASP 21 H ASP 21 1.214 2.901 3.221 138 HA ASP 21 HA ASP 21 2.631 5.305 3.045 139 HB2 ASP 21 HB2 ASP 21 3.403 3.178 1.903 140 HB3 ASP 21 HB3 ASP 21 2.097 3.378 0.701 141 H PHE 22 H PHE 22 -0.392 4.258 1.308 142 HA PHE 22 HA PHE 22 -0.279 6.555 -0.417 143 HB2 PHE 22 HB2 PHE 22 -1.810 4.161 -0.503 144 HB3 PHE 22 HB3 PHE 22 -3.007 5.437 -0.223 145 HD1 PHE 22 HD1 PHE 22 0.208 4.900 -2.170 146 HD2 PHE 22 HD2 PHE 22 -3.876 6.251 -2.346 147 HE1 PHE 22 HE1 PHE 22 0.535 5.580 -4.524 148 HE2 PHE 22 HE2 PHE 22 -3.589 6.769 -4.747 149 HZ PHE 22 HZ PHE 22 -1.368 6.508 -5.824 150 H ILE 23 H ILE 23 -2.335 5.797 2.526 151 HA ILE 23 HA ILE 23 -3.608 8.358 2.412 152 HB ILE 23 HB ILE 23 -3.156 6.393 4.697 153 HG12 ILE 23 HG12 ILE 23 -4.853 5.910 2.819 154 HG13 ILE 23 HG13 ILE 23 -5.482 5.851 4.483 155 HG21 ILE 23 HG21 ILE 23 -4.515 9.132 4.938 156 HG22 ILE 23 HG22 ILE 23 -4.742 7.787 6.101 157 HG23 ILE 23 HG23 ILE 23 -3.129 8.504 5.870 158 HD11 ILE 23 HD11 ILE 23 -6.592 8.046 4.222 159 HD12 ILE 23 HD12 ILE 23 -5.906 8.260 2.586 160 HD13 ILE 23 HD13 ILE 23 -7.073 6.956 2.902 161 H ASN 24 H ASN 24 -0.601 7.341 4.207 162 HA ASN 24 HA ASN 24 -0.146 10.163 4.920 163 HB2 ASN 24 HB2 ASN 24 1.378 7.580 5.495 164 HB3 ASN 24 HB3 ASN 24 2.208 9.126 5.661 165 HD21 ASN 24 HD21 ASN 24 0.872 7.012 7.758 166 HD22 ASN 24 HD22 ASN 24 0.253 8.160 8.885 167 H TRP 25 H TRP 25 0.101 8.856 1.856 168 HA TRP 25 HA TRP 25 2.601 10.306 1.234 169 HB2 TRP 25 HB2 TRP 25 2.501 8.825 -0.517 170 HB3 TRP 25 HB3 TRP 25 0.761 8.596 -0.353 171 HD1 TRP 25 HD1 TRP 25 2.988 11.484 -1.721 172 HE1 TRP 25 HE1 TRP 25 1.809 12.434 -3.741 173 HE3 TRP 25 HE3 TRP 25 -1.316 8.564 -1.685 174 HZ2 TRP 25 HZ2 TRP 25 -0.482 12.056 -5.190 175 HZ3 TRP 25 HZ3 TRP 25 -3.030 9.042 -3.425 176 HH2 TRP 25 HH2 TRP 25 -2.587 10.696 -5.209 177 H LEU 26 H LEU 26 -1.005 10.752 0.821 178 HA LEU 26 HA LEU 26 -0.935 13.072 -0.667 179 HB2 LEU 26 HB2 LEU 26 -2.802 12.501 1.692 180 HB3 LEU 26 HB3 LEU 26 -3.049 13.821 0.519 181 HG LEU 26 HG LEU 26 -3.070 10.820 -0.216 182 HD11 LEU 26 HD11 LEU 26 -5.020 11.481 1.212 183 HD12 LEU 26 HD12 LEU 26 -5.527 11.114 -0.456 184 HD13 LEU 26 HD13 LEU 26 -5.399 12.813 0.081 185 HD21 LEU 26 HD21 LEU 26 -3.722 13.317 -1.909 186 HD22 LEU 26 HD22 LEU 26 -4.051 11.631 -2.398 187 HD23 LEU 26 HD23 LEU 26 -2.378 12.176 -2.194 188 H ILE 27 H ILE 27 -0.487 12.838 2.929 189 HA ILE 27 HA ILE 27 -0.341 15.683 3.213 190 HB ILE 27 HB ILE 27 0.556 15.394 5.447 191 HG12 ILE 27 HG12 ILE 27 0.685 12.795 6.237 192 HG13 ILE 27 HG13 ILE 27 1.182 12.560 4.557 193 HG21 ILE 27 HG21 ILE 27 -1.325 14.193 6.446 194 HG22 ILE 27 HG22 ILE 27 -1.900 15.092 5.022 195 HG23 ILE 27 HG23 ILE 27 -1.663 13.323 4.930 196 HD11 ILE 27 HD11 ILE 27 3.176 12.840 5.970 197 HD12 ILE 27 HD12 ILE 27 3.042 14.332 5.003 198 HD13 ILE 27 HD13 ILE 27 2.516 14.330 6.701 199 H GLN 28 H GLN 28 2.252 13.260 2.402 200 HA GLN 28 HA GLN 28 4.205 15.512 2.545 201 HB2 GLN 28 HB2 GLN 28 5.982 13.801 2.261 202 HB3 GLN 28 HB3 GLN 28 5.000 13.533 3.710 203 HG2 GLN 28 HG2 GLN 28 3.979 11.604 2.751 204 HG3 GLN 28 HG3 GLN 28 4.351 12.085 1.078 205 HE21 GLN 28 HE21 GLN 28 6.250 11.439 4.186 206 HE22 GLN 28 HE22 GLN 28 7.418 10.454 3.387 207 H THR 29 H THR 29 2.288 15.809 0.415 208 HA THR 29 HA THR 29 3.546 14.673 -1.986 209 HB THR 29 HB THR 29 1.250 16.661 -1.612 210 HG1 THR 29 HG1 THR 29 0.947 14.308 -1.273 211 HG21 THR 29 HG21 THR 29 2.447 17.305 -3.709 212 HG22 THR 29 HG22 THR 29 0.915 16.461 -4.073 213 HG23 THR 29 HG23 THR 29 2.467 15.590 -4.227 214 H LYS 30 H LYS 30 3.051 18.107 -0.800 215 HA LYS 30 HA LYS 30 4.772 19.235 -2.614 216 HB2 LYS 30 HB2 LYS 30 4.991 21.181 -1.261 217 HB3 LYS 30 HB3 LYS 30 3.329 20.593 -1.062 218 HG2 LYS 30 HG2 LYS 30 5.651 20.215 0.945 219 HG3 LYS 30 HG3 LYS 30 4.445 21.501 1.036 220 HD2 LYS 30 HD2 LYS 30 3.852 18.504 1.395 221 HD3 LYS 30 HD3 LYS 30 3.996 19.727 2.664 222 HE2 LYS 30 HE2 LYS 30 1.781 19.628 0.527 223 HE3 LYS 30 HE3 LYS 30 1.649 19.183 2.238 224 HZ1 LYS 30 HZ1 LYS 30 2.112 21.967 1.137 225 HZ2 LYS 30 HZ2 LYS 30 2.236 21.558 2.836 226 HZ3 LYS 30 HZ3 LYS 30 0.732 21.372 1.979 227 H ILE 31 H ILE 31 5.743 17.588 0.444 228 HA ILE 31 HA ILE 31 8.465 18.625 0.137 229 HB ILE 31 HB ILE 31 7.356 18.401 2.379 230 HG12 ILE 31 HG12 ILE 31 10.077 17.001 1.982 231 HG13 ILE 31 HG13 ILE 31 9.795 18.756 2.156 232 HG21 ILE 31 HG21 ILE 31 6.399 16.078 1.986 233 HG22 ILE 31 HG22 ILE 31 8.038 15.401 2.180 234 HG23 ILE 31 HG23 ILE 31 7.220 16.240 3.533 235 HD11 ILE 31 HD11 ILE 31 8.842 18.306 4.494 236 HD12 ILE 31 HD12 ILE 31 9.408 16.611 4.338 237 HD13 ILE 31 HD13 ILE 31 10.581 17.943 4.302 238 H THR 32 H THR 32 6.781 15.374 -0.286 239 HA THR 32 HA THR 32 9.427 14.327 -1.220 240 HB THR 32 HB THR 32 6.923 12.733 -0.517 241 HG1 THR 32 HG1 THR 32 9.249 13.222 1.062 242 HG21 THR 32 HG21 THR 32 8.449 11.599 -2.168 243 HG22 THR 32 HG22 THR 32 8.491 10.804 -0.567 244 HG23 THR 32 HG23 THR 32 9.833 11.870 -1.066 245 H ASP 33 H ASP 33 5.897 13.834 -2.268 246 HA ASP 33 HA ASP 33 6.437 14.971 -4.818 247 HB2 ASP 33 HB2 ASP 33 7.656 12.408 -4.596 248 HB3 ASP 33 HB3 ASP 33 6.089 12.001 -5.301 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 6.821 -23.969 -0.891 2 HA HIS 1 HA HIS 1 5.015 -24.139 -2.552 3 HB2 HIS 1 HB2 HIS 1 6.905 -26.393 -2.026 4 HB3 HIS 1 HB3 HIS 1 5.421 -26.958 -2.818 5 HD1 HIS 1 HD1 HIS 1 7.888 -24.098 -3.325 6 HD2 HIS 1 HD2 HIS 1 5.440 -26.784 -5.437 7 HE1 HIS 1 HE1 HIS 1 8.343 -23.653 -5.774 8 H ALA 2 H ALA 2 2.718 -24.275 -2.397 9 HA ALA 2 HA ALA 2 1.578 -26.780 -1.417 10 HB1 ALA 2 HB1 ALA 2 1.049 -24.170 0.138 11 HB2 ALA 2 HB2 ALA 2 0.147 -25.705 0.345 12 HB3 ALA 2 HB3 ALA 2 1.881 -25.618 0.777 13 H ASP 3 H ASP 3 -0.226 -27.103 -2.878 14 HA ASP 3 HA ASP 3 -0.927 -24.783 -4.537 15 HB2 ASP 3 HB2 ASP 3 -0.721 -27.341 -5.238 16 HB3 ASP 3 HB3 ASP 3 -2.396 -27.457 -4.648 17 H GLY 4 H GLY 4 -3.521 -24.438 -4.855 18 HA2 GLY 4 HA2 GLY 4 -5.680 -24.598 -3.773 19 HA3 GLY 4 HA3 GLY 4 -4.891 -24.749 -2.193 20 H SER 5 H SER 5 -6.136 -22.860 -1.405 21 HA SER 5 HA SER 5 -5.965 -20.354 -2.919 22 HB2 SER 5 HB2 SER 5 -7.988 -21.056 -1.573 23 HB3 SER 5 HB3 SER 5 -7.012 -20.876 -0.078 24 HG SER 5 HG SER 5 -8.206 -18.874 -0.651 25 H PHE 6 H PHE 6 -5.600 -18.457 -0.767 26 HA PHE 6 HA PHE 6 -3.925 -17.354 0.317 27 HB2 PHE 6 HB2 PHE 6 -3.633 -19.875 1.317 28 HB3 PHE 6 HB3 PHE 6 -2.056 -19.731 0.520 29 HD1 PHE 6 HD2 PHE 6 -4.464 -18.066 2.881 30 HD2 PHE 6 HD1 PHE 6 -0.348 -18.327 1.647 31 HE1 PHE 6 HE2 PHE 6 -3.779 -16.822 4.906 32 HE2 PHE 6 HE1 PHE 6 0.332 -17.090 3.680 33 HZ PHE 6 HZ PHE 6 -1.376 -16.355 5.325 34 H SER 7 H SER 7 -3.976 -18.034 -2.790 35 HA SER 7 HA SER 7 -1.120 -17.410 -3.360 36 HB2 SER 7 HB2 SER 7 -3.539 -17.923 -5.196 37 HB3 SER 7 HB3 SER 7 -1.928 -17.421 -5.770 38 HG SER 7 HG SER 7 -1.118 -19.431 -4.800 39 H ASP 8 H ASP 8 -4.497 -15.959 -3.970 40 HA ASP 8 HA ASP 8 -3.410 -13.476 -4.796 41 HB2 ASP 8 HB2 ASP 8 -5.580 -12.464 -4.267 42 HB3 ASP 8 HB3 ASP 8 -5.832 -14.033 -5.079 43 H GLU 9 H GLU 9 -4.192 -14.760 -1.445 44 HA GLU 9 HA GLU 9 -3.544 -12.140 -0.314 45 HB2 GLU 9 HB2 GLU 9 -4.086 -14.803 1.121 46 HB3 GLU 9 HB3 GLU 9 -3.885 -13.213 1.883 47 HG2 GLU 9 HG2 GLU 9 -5.866 -12.437 0.246 48 HG3 GLU 9 HG3 GLU 9 -6.207 -14.180 0.134 49 H MET 10 H MET 10 -1.377 -14.606 -1.464 50 HA MET 10 HA MET 10 0.461 -14.537 0.666 51 HB2 MET 10 HB2 MET 10 2.204 -15.184 -0.840 52 HB3 MET 10 HB3 MET 10 0.706 -15.954 -1.416 53 HG2 MET 10 HG2 MET 10 1.819 -15.157 -3.401 54 HG3 MET 10 HG3 MET 10 0.556 -13.924 -3.118 55 HE1 MET 10 HE1 MET 10 3.475 -11.792 -4.590 56 HE2 MET 10 HE2 MET 10 3.326 -13.538 -4.981 57 HE3 MET 10 HE3 MET 10 1.858 -12.515 -4.867 58 H ASN 11 H ASN 11 -0.400 -12.018 -1.802 59 HA ASN 11 HA ASN 11 2.000 -10.479 -1.102 60 HB2 ASN 11 HB2 ASN 11 0.839 -10.726 -3.451 61 HB3 ASN 11 HB3 ASN 11 -0.324 -9.524 -2.844 62 HD21 ASN 11 HD21 ASN 11 0.542 -8.221 -4.764 63 HD22 ASN 11 HD22 ASN 11 2.056 -7.416 -4.614 64 H THR 12 H THR 12 -1.002 -10.841 0.538 65 HA THR 12 HA THR 12 -1.771 -8.212 1.009 66 HB THR 12 HB THR 12 -1.746 -10.564 2.987 67 HG1 THR 12 HG1 THR 12 -3.927 -10.785 2.014 68 HG21 THR 12 HG21 THR 12 -3.691 -9.402 4.063 69 HG22 THR 12 HG22 THR 12 -3.503 -8.018 2.952 70 HG23 THR 12 HG23 THR 12 -2.239 -8.379 4.175 71 H ILE 13 H ILE 13 1.143 -9.943 2.244 72 HA ILE 13 HA ILE 13 1.830 -8.383 4.412 73 HB ILE 13 HB ILE 13 3.751 -9.071 2.100 74 HG12 ILE 13 HG12 ILE 13 2.930 -11.214 2.891 75 HG13 ILE 13 HG13 ILE 13 4.553 -10.966 3.522 76 HG21 ILE 13 HG21 ILE 13 4.358 -8.154 4.981 77 HG22 ILE 13 HG22 ILE 13 5.569 -8.811 3.843 78 HG23 ILE 13 HG23 ILE 13 4.738 -7.291 3.469 79 HD11 ILE 13 HD11 ILE 13 3.549 -10.299 5.781 80 HD12 ILE 13 HD12 ILE 13 1.926 -10.661 5.114 81 HD13 ILE 13 HD13 ILE 13 3.139 -11.953 5.263 82 H LEU 14 H LEU 14 2.256 -7.443 0.902 83 HA LEU 14 HA LEU 14 3.315 -4.876 1.664 84 HB2 LEU 14 HB2 LEU 14 1.979 -5.722 -0.969 85 HB3 LEU 14 HB3 LEU 14 2.848 -4.187 -0.721 86 HG LEU 14 HG LEU 14 4.150 -6.982 -0.544 87 HD11 LEU 14 HD11 LEU 14 5.204 -6.424 -2.711 88 HD12 LEU 14 HD12 LEU 14 4.410 -4.819 -2.722 89 HD13 LEU 14 HD13 LEU 14 3.435 -6.299 -2.878 90 HD21 LEU 14 HD21 LEU 14 6.331 -5.668 -0.601 91 HD22 LEU 14 HD22 LEU 14 5.434 -5.402 0.900 92 HD23 LEU 14 HD23 LEU 14 5.404 -4.160 -0.388 93 H ASP 15 H ASP 15 -0.061 -6.053 0.897 94 HA ASP 15 HA ASP 15 -1.268 -3.643 0.529 95 HB2 ASP 15 HB2 ASP 15 -2.519 -5.808 0.527 96 HB3 ASP 15 HB3 ASP 15 -2.418 -5.863 2.311 97 H ASN 16 H ASN 16 -0.199 -4.891 3.810 98 HA ASN 16 HA ASN 16 -1.640 -2.807 5.209 99 HB2 ASN 16 HB2 ASN 16 0.617 -4.680 6.065 100 HB3 ASN 16 HB3 ASN 16 0.253 -3.229 7.020 101 HD21 ASN 16 HD21 ASN 16 -1.932 -5.705 5.343 102 HD22 ASN 16 HD22 ASN 16 -2.851 -5.977 6.775 103 H LEU 17 H LEU 17 2.003 -3.024 4.859 104 HA LEU 17 HA LEU 17 2.339 -0.321 5.491 105 HB2 LEU 17 HB2 LEU 17 4.614 -0.451 4.579 106 HB3 LEU 17 HB3 LEU 17 4.175 -1.891 5.513 107 HG LEU 17 HG LEU 17 3.540 -2.898 3.077 108 HD11 LEU 17 HD11 LEU 17 5.042 -2.138 1.273 109 HD12 LEU 17 HD12 LEU 17 5.772 -0.905 2.340 110 HD13 LEU 17 HD13 LEU 17 4.084 -0.737 1.798 111 HD21 LEU 17 HD21 LEU 17 5.201 -3.912 4.594 112 HD22 LEU 17 HD22 LEU 17 6.411 -2.677 4.125 113 HD23 LEU 17 HD23 LEU 17 5.836 -3.879 2.932 114 H ALA 18 H ALA 18 1.472 -1.711 2.280 115 HA ALA 18 HA ALA 18 2.080 0.702 0.849 116 HB1 ALA 18 HB1 ALA 18 0.699 -0.252 -0.972 117 HB2 ALA 18 HB2 ALA 18 1.813 -1.493 -0.322 118 HB3 ALA 18 HB3 ALA 18 0.079 -1.524 0.120 119 H ALA 19 H ALA 19 -0.936 -0.600 2.488 120 HA ALA 19 HA ALA 19 -2.719 1.299 1.528 121 HB1 ALA 19 HB1 ALA 19 -2.621 0.202 4.405 122 HB2 ALA 19 HB2 ALA 19 -4.000 1.064 3.661 123 HB3 ALA 19 HB3 ALA 19 -3.491 -0.525 3.021 124 H ARG 20 H ARG 20 -0.412 1.561 4.345 125 HA ARG 20 HA ARG 20 -1.240 4.321 4.827 126 HB2 ARG 20 HB2 ARG 20 0.721 2.451 6.150 127 HB3 ARG 20 HB3 ARG 20 1.165 4.164 6.172 128 HG2 ARG 20 HG2 ARG 20 -0.113 3.587 8.181 129 HG3 ARG 20 HG3 ARG 20 -0.924 4.835 7.217 130 HD2 ARG 20 HD2 ARG 20 -2.861 3.537 7.053 131 HD3 ARG 20 HD3 ARG 20 -1.938 2.216 6.362 132 HE ARG 20 HE ARG 20 -1.988 1.089 8.342 133 HH11 ARG 20 HH12 ARG 20 -2.469 4.594 9.076 134 HH12 ARG 20 HH11 ARG 20 -2.720 4.266 10.783 135 HH21 ARG 20 HH22 ARG 20 -2.329 0.791 10.542 136 HH22 ARG 20 HH21 ARG 20 -2.650 2.167 11.598 137 H ASP 21 H ASP 21 1.413 2.769 2.860 138 HA ASP 21 HA ASP 21 3.035 4.994 2.642 139 HB2 ASP 21 HB2 ASP 21 3.575 2.876 1.438 140 HB3 ASP 21 HB3 ASP 21 2.206 3.138 0.322 141 H PHE 22 H PHE 22 -0.033 4.311 0.706 142 HA PHE 22 HA PHE 22 0.283 6.854 -0.628 143 HB2 PHE 22 HB2 PHE 22 -1.641 6.407 -1.886 144 HB3 PHE 22 HB3 PHE 22 -0.956 4.803 -1.592 145 HD1 PHE 22 HD2 PHE 22 -3.538 7.308 -0.539 146 HD2 PHE 22 HD1 PHE 22 -2.321 3.183 -0.284 147 HE1 PHE 22 HE2 PHE 22 -5.733 6.723 0.431 148 HE2 PHE 22 HE1 PHE 22 -4.556 2.596 0.630 149 HZ PHE 22 HZ PHE 22 -6.239 4.366 1.039 150 H ILE 23 H ILE 23 -1.764 5.612 2.140 151 HA ILE 23 HA ILE 23 -3.323 7.920 2.284 152 HB ILE 23 HB ILE 23 -3.117 5.606 3.941 153 HG12 ILE 23 HG12 ILE 23 -5.187 6.530 3.016 154 HG13 ILE 23 HG13 ILE 23 -5.302 6.118 4.736 155 HG21 ILE 23 HG21 ILE 23 -1.675 6.761 5.573 156 HG22 ILE 23 HG22 ILE 23 -2.856 8.086 5.740 157 HG23 ILE 23 HG23 ILE 23 -3.283 6.434 6.264 158 HD11 ILE 23 HD11 ILE 23 -6.466 8.276 4.160 159 HD12 ILE 23 HD12 ILE 23 -5.206 8.505 5.396 160 HD13 ILE 23 HD13 ILE 23 -4.907 9.014 3.708 161 H ASN 24 H ASN 24 -0.046 7.348 3.735 162 HA ASN 24 HA ASN 24 -0.105 10.020 4.937 163 HB2 ASN 24 HB2 ASN 24 1.983 7.805 4.898 164 HB3 ASN 24 HB3 ASN 24 2.486 9.458 5.263 165 HD21 ASN 24 HD21 ASN 24 0.769 6.677 6.687 166 HD22 ASN 24 HD22 ASN 24 0.439 7.483 8.177 167 H TRP 25 H TRP 25 0.505 9.015 1.642 168 HA TRP 25 HA TRP 25 2.456 11.166 1.206 169 HB2 TRP 25 HB2 TRP 25 2.777 9.899 -0.678 170 HB3 TRP 25 HB3 TRP 25 1.215 9.094 -0.543 171 HD1 TRP 25 HD1 TRP 25 2.612 12.466 -1.866 172 HE1 TRP 25 HE1 TRP 25 1.130 13.235 -3.759 173 HE3 TRP 25 HE3 TRP 25 -1.059 8.817 -1.632 174 HZ2 TRP 25 HZ2 TRP 25 -1.169 12.489 -5.046 175 HZ3 TRP 25 HZ3 TRP 25 -2.901 8.924 -3.310 176 HH2 TRP 25 HH2 TRP 25 -2.949 10.728 -5.006 177 H LEU 26 H LEU 26 -1.165 10.893 1.143 178 HA LEU 26 HA LEU 26 -1.560 13.268 -0.351 179 HB2 LEU 26 HB2 LEU 26 -3.261 12.234 1.994 180 HB3 LEU 26 HB3 LEU 26 -3.772 13.499 0.848 181 HG LEU 26 HG LEU 26 -3.202 10.556 0.075 182 HD11 LEU 26 HD11 LEU 26 -5.233 10.806 1.519 183 HD12 LEU 26 HD12 LEU 26 -5.662 10.353 -0.151 184 HD13 LEU 26 HD13 LEU 26 -5.881 12.041 0.398 185 HD21 LEU 26 HD21 LEU 26 -2.796 12.053 -1.876 186 HD22 LEU 26 HD22 LEU 26 -4.350 12.887 -1.586 187 HD23 LEU 26 HD23 LEU 26 -4.323 11.176 -2.098 188 H ILE 27 H ILE 27 -1.053 12.880 3.245 189 HA ILE 27 HA ILE 27 -1.319 15.687 3.722 190 HB ILE 27 HB ILE 27 0.062 15.406 5.768 191 HG12 ILE 27 HG12 ILE 27 0.096 12.381 5.293 192 HG13 ILE 27 HG13 ILE 27 1.421 13.397 4.685 193 HG21 ILE 27 HG21 ILE 27 -1.591 13.950 6.994 194 HG22 ILE 27 HG22 ILE 27 -2.380 15.096 5.883 195 HG23 ILE 27 HG23 ILE 27 -2.232 13.374 5.430 196 HD11 ILE 27 HD11 ILE 27 2.042 12.429 6.839 197 HD12 ILE 27 HD12 ILE 27 1.962 14.211 6.936 198 HD13 ILE 27 HD13 ILE 27 0.650 13.213 7.641 199 H GLN 28 H GLN 28 1.461 13.841 2.294 200 HA GLN 28 HA GLN 28 3.147 16.241 2.739 201 HB2 GLN 28 HB2 GLN 28 3.917 13.551 1.450 202 HB3 GLN 28 HB3 GLN 28 5.007 14.870 1.931 203 HG2 GLN 28 HG2 GLN 28 3.944 14.540 4.349 204 HG3 GLN 28 HG3 GLN 28 3.481 12.940 3.719 205 HE21 GLN 28 HE21 GLN 28 6.020 14.426 5.446 206 HE22 GLN 28 HE22 GLN 28 7.242 13.296 5.009 207 H THR 29 H THR 29 0.805 16.583 0.890 208 HA THR 29 HA THR 29 1.974 16.422 -1.774 209 HB THR 29 HB THR 29 -0.518 17.912 -0.785 210 HG1 THR 29 HG1 THR 29 -0.261 15.365 -2.067 211 HG21 THR 29 HG21 THR 29 0.349 18.926 -2.906 212 HG22 THR 29 HG22 THR 29 -1.133 17.971 -3.217 213 HG23 THR 29 HG23 THR 29 0.468 17.300 -3.653 214 H LYS 30 H LYS 30 1.127 19.187 0.517 215 HA LYS 30 HA LYS 30 2.241 21.108 -1.118 216 HB2 LYS 30 HB2 LYS 30 2.308 22.670 0.631 217 HB3 LYS 30 HB3 LYS 30 0.870 21.671 0.895 218 HG2 LYS 30 HG2 LYS 30 3.570 21.417 2.405 219 HG3 LYS 30 HG3 LYS 30 2.194 22.358 2.980 220 HD2 LYS 30 HD2 LYS 30 2.157 19.273 2.701 221 HD3 LYS 30 HD3 LYS 30 2.395 20.231 4.171 222 HE2 LYS 30 HE2 LYS 30 0.079 21.292 3.746 223 HE3 LYS 30 HE3 LYS 30 -0.161 20.073 2.463 224 HZ1 LYS 30 HZ1 LYS 30 -1.137 19.295 4.537 225 HZ2 LYS 30 HZ2 LYS 30 0.339 19.534 5.401 226 HZ3 LYS 30 HZ3 LYS 30 0.247 18.296 4.166 227 H ILE 31 H ILE 31 3.985 18.991 1.230 228 HA ILE 31 HA ILE 31 6.368 20.654 0.992 229 HB ILE 31 HB ILE 31 5.669 19.539 3.132 230 HG12 ILE 31 HG12 ILE 31 8.530 19.020 2.108 231 HG13 ILE 31 HG13 ILE 31 7.904 20.530 2.826 232 HG21 ILE 31 HG21 ILE 31 5.170 17.236 2.101 233 HG22 ILE 31 HG22 ILE 31 6.929 16.981 1.975 234 HG23 ILE 31 HG23 ILE 31 6.142 17.190 3.570 235 HD11 ILE 31 HD11 ILE 31 7.431 19.240 4.993 236 HD12 ILE 31 HD12 ILE 31 8.297 17.840 4.283 237 HD13 ILE 31 HD13 ILE 31 9.161 19.367 4.563 238 H THR 32 H THR 32 5.321 17.358 -0.262 239 HA THR 32 HA THR 32 7.936 17.232 -1.699 240 HB THR 32 HB THR 32 5.829 15.032 -1.344 241 HG1 THR 32 HG1 THR 32 8.198 15.500 0.186 242 HG21 THR 32 HG21 THR 32 7.680 13.531 -2.029 243 HG22 THR 32 HG22 THR 32 8.769 14.930 -2.264 244 HG23 THR 32 HG23 THR 32 7.344 14.715 -3.329 245 H ASP 33 H ASP 33 4.354 16.624 -2.338 246 HA ASP 33 HA ASP 33 3.124 16.996 -4.230 247 HB2 ASP 33 HB2 ASP 33 4.594 19.371 -3.776 248 HB3 ASP 33 HB3 ASP 33 4.980 19.018 -5.468 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 2.069 -16.990 -12.253 2 HA HIS 1 HA HIS 1 1.521 -17.934 -10.033 3 HB2 HIS 1 HB2 HIS 1 3.456 -16.634 -9.076 4 HB3 HIS 1 HB3 HIS 1 2.452 -15.169 -8.996 5 HD1 HIS 1 HD1 HIS 1 3.635 -16.423 -6.511 6 HD2 HIS 1 HD2 HIS 1 -0.189 -17.391 -7.985 7 HE1 HIS 1 HE1 HIS 1 2.354 -17.373 -4.551 8 H ALA 2 H ALA 2 -0.611 -17.889 -11.140 9 HA ALA 2 HA ALA 2 -2.065 -15.259 -10.936 10 HB1 ALA 2 HB1 ALA 2 -2.203 -17.416 -13.139 11 HB2 ALA 2 HB2 ALA 2 -3.164 -15.910 -13.081 12 HB3 ALA 2 HB3 ALA 2 -1.385 -15.834 -13.283 13 H ASP 3 H ASP 3 -4.407 -15.438 -10.609 14 HA ASP 3 HA ASP 3 -6.257 -16.295 -9.593 15 HB2 ASP 3 HB2 ASP 3 -6.165 -17.753 -11.656 16 HB3 ASP 3 HB3 ASP 3 -5.326 -19.005 -10.710 17 H GLY 4 H GLY 4 -7.122 -17.639 -7.727 18 HA2 GLY 4 HA2 GLY 4 -6.189 -19.459 -6.197 19 HA3 GLY 4 HA3 GLY 4 -4.871 -18.314 -5.855 20 H SER 5 H SER 5 -7.383 -19.346 -4.134 21 HA SER 5 HA SER 5 -8.693 -16.795 -3.601 22 HB2 SER 5 HB2 SER 5 -9.921 -18.872 -3.152 23 HB3 SER 5 HB3 SER 5 -8.695 -19.402 -1.970 24 HG SER 5 HG SER 5 -10.496 -18.233 -0.926 25 H PHE 6 H PHE 6 -6.418 -18.881 -1.575 26 HA PHE 6 HA PHE 6 -5.705 -16.413 -0.097 27 HB2 PHE 6 HB2 PHE 6 -4.665 -17.792 1.540 28 HB3 PHE 6 HB3 PHE 6 -6.205 -18.571 1.131 29 HD1 PHE 6 HD1 PHE 6 -2.491 -18.660 0.663 30 HD2 PHE 6 HD2 PHE 6 -6.169 -20.818 0.060 31 HE1 PHE 6 HE1 PHE 6 -1.208 -20.667 0.015 32 HE2 PHE 6 HE2 PHE 6 -4.877 -22.826 -0.580 33 HZ PHE 6 HZ PHE 6 -2.396 -22.757 -0.612 34 H SER 7 H SER 7 -4.199 -18.701 -2.542 35 HA SER 7 HA SER 7 -1.555 -17.883 -2.037 36 HB2 SER 7 HB2 SER 7 -2.790 -18.637 -4.739 37 HB3 SER 7 HB3 SER 7 -1.042 -18.453 -4.408 38 HG SER 7 HG SER 7 -1.752 -20.699 -4.084 39 H ASP 8 H ASP 8 -4.198 -16.195 -3.963 40 HA ASP 8 HA ASP 8 -2.458 -14.120 -4.911 41 HB2 ASP 8 HB2 ASP 8 -5.436 -13.961 -4.134 42 HB3 ASP 8 HB3 ASP 8 -4.524 -12.685 -4.989 43 H GLU 9 H GLU 9 -4.180 -14.612 -1.740 44 HA GLU 9 HA GLU 9 -3.455 -12.019 -0.740 45 HB2 GLU 9 HB2 GLU 9 -4.116 -14.566 0.846 46 HB3 GLU 9 HB3 GLU 9 -3.969 -12.941 1.540 47 HG2 GLU 9 HG2 GLU 9 -5.901 -12.116 0.270 48 HG3 GLU 9 HG3 GLU 9 -6.027 -13.630 -0.654 49 H MET 10 H MET 10 -1.291 -14.702 -1.435 50 HA MET 10 HA MET 10 0.384 -14.580 0.770 51 HB2 MET 10 HB2 MET 10 2.211 -15.341 -0.620 52 HB3 MET 10 HB3 MET 10 0.715 -16.092 -1.215 53 HG2 MET 10 HG2 MET 10 1.919 -15.414 -3.190 54 HG3 MET 10 HG3 MET 10 0.702 -14.123 -3.021 55 HE1 MET 10 HE1 MET 10 3.614 -14.028 -4.752 56 HE2 MET 10 HE2 MET 10 2.221 -12.899 -4.796 57 HE3 MET 10 HE3 MET 10 3.869 -12.275 -4.459 58 H ASN 11 H ASN 11 -0.076 -12.084 -1.830 59 HA ASN 11 HA ASN 11 2.346 -10.689 -0.899 60 HB2 ASN 11 HB2 ASN 11 1.472 -10.942 -3.371 61 HB3 ASN 11 HB3 ASN 11 0.350 -9.628 -2.956 62 HD21 ASN 11 HD21 ASN 11 1.871 -8.980 -5.012 63 HD22 ASN 11 HD22 ASN 11 3.279 -8.081 -4.593 64 H THR 12 H THR 12 -0.636 -10.920 0.601 65 HA THR 12 HA THR 12 -1.381 -8.206 0.883 66 HB THR 12 HB THR 12 -1.635 -10.509 2.907 67 HG1 THR 12 HG1 THR 12 -3.411 -9.760 0.779 68 HG21 THR 12 HG21 THR 12 -3.301 -7.926 2.599 69 HG22 THR 12 HG22 THR 12 -2.232 -8.321 3.981 70 HG23 THR 12 HG23 THR 12 -3.696 -9.292 3.677 71 H ILE 13 H ILE 13 1.421 -10.018 2.218 72 HA ILE 13 HA ILE 13 1.899 -8.570 4.529 73 HB ILE 13 HB ILE 13 4.046 -9.301 2.449 74 HG12 ILE 13 HG12 ILE 13 3.036 -11.419 3.067 75 HG13 ILE 13 HG13 ILE 13 4.568 -11.259 3.920 76 HG21 ILE 13 HG21 ILE 13 4.334 -8.501 5.409 77 HG22 ILE 13 HG22 ILE 13 5.649 -9.157 4.394 78 HG23 ILE 13 HG23 ILE 13 4.919 -7.593 3.993 79 HD11 ILE 13 HD11 ILE 13 1.753 -10.874 5.133 80 HD12 ILE 13 HD12 ILE 13 2.883 -12.216 5.421 81 HD13 ILE 13 HD13 ILE 13 3.278 -10.588 6.031 82 H LEU 14 H LEU 14 2.901 -7.532 1.129 83 HA LEU 14 HA LEU 14 3.813 -5.044 2.226 84 HB2 LEU 14 HB2 LEU 14 4.306 -4.249 0.053 85 HB3 LEU 14 HB3 LEU 14 4.772 -5.955 0.208 86 HG LEU 14 HG LEU 14 2.565 -6.510 -1.089 87 HD11 LEU 14 HD11 LEU 14 2.722 -3.491 -1.744 88 HD12 LEU 14 HD12 LEU 14 1.354 -4.303 -0.950 89 HD13 LEU 14 HD13 LEU 14 1.733 -4.684 -2.626 90 HD21 LEU 14 HD21 LEU 14 4.801 -4.914 -2.478 91 HD22 LEU 14 HD22 LEU 14 3.669 -6.022 -3.297 92 HD23 LEU 14 HD23 LEU 14 4.848 -6.664 -2.127 93 H ASP 15 H ASP 15 0.564 -6.128 1.105 94 HA ASP 15 HA ASP 15 -0.480 -3.608 0.509 95 HB2 ASP 15 HB2 ASP 15 -1.770 -5.730 0.187 96 HB3 ASP 15 HB3 ASP 15 -1.957 -5.870 1.959 97 H ASN 16 H ASN 16 -0.058 -5.117 3.811 98 HA ASN 16 HA ASN 16 -1.512 -3.084 5.202 99 HB2 ASN 16 HB2 ASN 16 0.795 -4.929 6.052 100 HB3 ASN 16 HB3 ASN 16 0.351 -3.550 7.069 101 HD21 ASN 16 HD21 ASN 16 -1.804 -5.941 5.205 102 HD22 ASN 16 HD22 ASN 16 -2.690 -6.334 6.624 103 H LEU 17 H LEU 17 1.848 -3.128 3.854 104 HA LEU 17 HA LEU 17 2.512 -0.653 5.256 105 HB2 LEU 17 HB2 LEU 17 4.055 -1.711 2.837 106 HB3 LEU 17 HB3 LEU 17 4.618 -0.679 4.167 107 HG LEU 17 HG LEU 17 4.008 -3.710 4.252 108 HD11 LEU 17 HD11 LEU 17 6.389 -3.945 4.767 109 HD12 LEU 17 HD12 LEU 17 6.602 -2.170 4.771 110 HD13 LEU 17 HD13 LEU 17 6.199 -3.023 3.252 111 HD21 LEU 17 HD21 LEU 17 4.684 -3.687 6.655 112 HD22 LEU 17 HD22 LEU 17 3.183 -2.768 6.419 113 HD23 LEU 17 HD23 LEU 17 4.732 -1.900 6.634 114 H ALA 18 H ALA 18 1.830 -1.607 1.784 115 HA ALA 18 HA ALA 18 2.064 0.950 0.711 116 HB1 ALA 18 HB1 ALA 18 1.785 -1.101 -0.705 117 HB2 ALA 18 HB2 ALA 18 0.088 -1.251 -0.160 118 HB3 ALA 18 HB3 ALA 18 0.588 0.151 -1.152 119 H ALA 19 H ALA 19 -0.787 -0.603 2.355 120 HA ALA 19 HA ALA 19 -2.768 1.161 1.662 121 HB1 ALA 19 HB1 ALA 19 -2.267 0.013 4.483 122 HB2 ALA 19 HB2 ALA 19 -3.802 0.746 3.930 123 HB3 ALA 19 HB3 ALA 19 -3.207 -0.759 3.172 124 H ARG 20 H ARG 20 -0.284 1.618 4.308 125 HA ARG 20 HA ARG 20 -1.323 4.333 4.796 126 HB2 ARG 20 HB2 ARG 20 0.560 2.516 6.267 127 HB3 ARG 20 HB3 ARG 20 1.128 4.188 6.161 128 HG2 ARG 20 HG2 ARG 20 -0.200 3.894 8.190 129 HG3 ARG 20 HG3 ARG 20 -0.990 5.039 7.099 130 HD2 ARG 20 HD2 ARG 20 -2.931 3.749 7.528 131 HD3 ARG 20 HD3 ARG 20 -2.273 2.699 6.305 132 HE ARG 20 HE ARG 20 -1.815 1.084 7.874 133 HH11 ARG 20 HH12 ARG 20 -2.183 4.246 9.593 134 HH12 ARG 20 HH11 ARG 20 -2.162 3.462 11.165 135 HH21 ARG 20 HH22 ARG 20 -1.790 0.198 9.942 136 HH22 ARG 20 HH21 ARG 20 -1.939 1.229 11.365 137 H ASP 21 H ASP 21 1.398 2.904 2.869 138 HA ASP 21 HA ASP 21 2.928 5.191 2.621 139 HB2 ASP 21 HB2 ASP 21 3.485 3.083 1.382 140 HB3 ASP 21 HB3 ASP 21 2.111 3.362 0.278 141 H PHE 22 H PHE 22 -0.159 4.405 0.759 142 HA PHE 22 HA PHE 22 0.053 6.915 -0.612 143 HB2 PHE 22 HB2 PHE 22 -1.907 6.463 -1.778 144 HB3 PHE 22 HB3 PHE 22 -1.177 4.873 -1.515 145 HD1 PHE 22 HD1 PHE 22 -3.795 7.305 -0.389 146 HD2 PHE 22 HD2 PHE 22 -2.443 3.223 -0.139 147 HE1 PHE 22 HE1 PHE 22 -5.955 6.654 0.616 148 HE2 PHE 22 HE2 PHE 22 -4.626 2.572 0.840 149 HZ PHE 22 HZ PHE 22 -6.367 4.287 1.256 150 H ILE 23 H ILE 23 -1.913 5.681 2.225 151 HA ILE 23 HA ILE 23 -3.540 7.921 2.346 152 HB ILE 23 HB ILE 23 -3.285 5.643 4.012 153 HG12 ILE 23 HG12 ILE 23 -5.375 6.543 3.176 154 HG13 ILE 23 HG13 ILE 23 -5.424 6.150 4.905 155 HG21 ILE 23 HG21 ILE 23 -1.787 6.799 5.602 156 HG22 ILE 23 HG22 ILE 23 -2.966 8.114 5.819 157 HG23 ILE 23 HG23 ILE 23 -3.360 6.460 6.354 158 HD11 ILE 23 HD11 ILE 23 -5.315 8.548 5.527 159 HD12 ILE 23 HD12 ILE 23 -5.095 9.029 3.821 160 HD13 ILE 23 HD13 ILE 23 -6.627 8.293 4.355 161 H ASN 24 H ASN 24 -0.246 7.561 3.862 162 HA ASN 24 HA ASN 24 -0.429 10.241 5.009 163 HB2 ASN 24 HB2 ASN 24 1.970 8.360 4.599 164 HB3 ASN 24 HB3 ASN 24 2.088 10.001 5.290 165 HD21 ASN 24 HD21 ASN 24 3.031 8.541 7.145 166 HD22 ASN 24 HD22 ASN 24 1.866 8.055 8.323 167 H TRP 25 H TRP 25 0.845 8.879 1.864 168 HA TRP 25 HA TRP 25 2.321 11.030 1.045 169 HB2 TRP 25 HB2 TRP 25 2.347 9.585 -0.744 170 HB3 TRP 25 HB3 TRP 25 0.673 9.093 -0.485 171 HD1 TRP 25 HD1 TRP 25 2.435 12.198 -2.007 172 HE1 TRP 25 HE1 TRP 25 0.967 13.044 -3.884 173 HE3 TRP 25 HE3 TRP 25 -1.578 8.942 -1.520 174 HZ2 TRP 25 HZ2 TRP 25 -1.465 12.517 -5.033 175 HZ3 TRP 25 HZ3 TRP 25 -3.451 9.172 -3.141 176 HH2 TRP 25 HH2 TRP 25 -3.401 10.934 -4.878 177 H LEU 26 H LEU 26 -1.306 10.867 1.057 178 HA LEU 26 HA LEU 26 -1.748 13.272 -0.315 179 HB2 LEU 26 HB2 LEU 26 -3.310 12.186 2.096 180 HB3 LEU 26 HB3 LEU 26 -3.883 13.515 1.063 181 HG LEU 26 HG LEU 26 -3.397 10.632 0.046 182 HD11 LEU 26 HD11 LEU 26 -6.030 12.062 0.730 183 HD12 LEU 26 HD12 LEU 26 -5.291 10.742 1.682 184 HD13 LEU 26 HD13 LEU 26 -5.873 10.426 0.029 185 HD21 LEU 26 HD21 LEU 26 -4.698 13.074 -1.317 186 HD22 LEU 26 HD22 LEU 26 -4.714 11.410 -1.959 187 HD23 LEU 26 HD23 LEU 26 -3.179 12.284 -1.819 188 H ILE 27 H ILE 27 -1.083 12.876 3.274 189 HA ILE 27 HA ILE 27 -1.314 15.687 3.740 190 HB ILE 27 HB ILE 27 0.207 13.500 5.232 191 HG12 ILE 27 HG12 ILE 27 -2.357 13.694 5.373 192 HG13 ILE 27 HG13 ILE 27 -1.472 13.675 6.916 193 HG21 ILE 27 HG21 ILE 27 1.649 15.410 5.596 194 HG22 ILE 27 HG22 ILE 27 0.266 16.492 5.896 195 HG23 ILE 27 HG23 ILE 27 0.673 15.195 7.064 196 HD11 ILE 27 HD11 ILE 27 -2.559 16.267 5.618 197 HD12 ILE 27 HD12 ILE 27 -3.340 15.341 6.918 198 HD13 ILE 27 HD13 ILE 27 -1.771 16.118 7.212 199 H GLN 28 H GLN 28 1.658 13.670 2.969 200 HA GLN 28 HA GLN 28 3.228 16.159 2.901 201 HB2 GLN 28 HB2 GLN 28 5.148 14.774 2.314 202 HB3 GLN 28 HB3 GLN 28 4.338 14.205 3.786 203 HG2 GLN 28 HG2 GLN 28 3.554 12.215 2.712 204 HG3 GLN 28 HG3 GLN 28 3.644 12.938 1.084 205 HE21 GLN 28 HE21 GLN 28 5.825 11.919 3.843 206 HE22 GLN 28 HE22 GLN 28 7.114 11.453 2.794 207 H THR 29 H THR 29 1.302 16.833 1.160 208 HA THR 29 HA THR 29 2.571 16.404 -1.535 209 HB THR 29 HB THR 29 -0.400 16.776 -0.860 210 HG1 THR 29 HG1 THR 29 1.001 14.458 -1.717 211 HG21 THR 29 HG21 THR 29 0.228 17.828 -3.071 212 HG22 THR 29 HG22 THR 29 -0.732 16.340 -3.306 213 HG23 THR 29 HG23 THR 29 1.035 16.309 -3.560 214 H LYS 30 H LYS 30 0.280 18.753 0.188 215 HA LYS 30 HA LYS 30 1.437 20.865 -1.460 216 HB2 LYS 30 HB2 LYS 30 -0.992 20.784 -0.834 217 HB3 LYS 30 HB3 LYS 30 -0.561 20.976 0.876 218 HG2 LYS 30 HG2 LYS 30 -1.336 23.109 -0.103 219 HG3 LYS 30 HG3 LYS 30 0.332 23.228 0.492 220 HD2 LYS 30 HD2 LYS 30 -0.029 24.434 -1.675 221 HD3 LYS 30 HD3 LYS 30 1.256 23.218 -1.770 222 HE2 LYS 30 HE2 LYS 30 -0.115 23.229 -3.811 223 HE3 LYS 30 HE3 LYS 30 -0.272 21.661 -3.004 224 HZ1 LYS 30 HZ1 LYS 30 -2.294 23.931 -2.824 225 HZ2 LYS 30 HZ2 LYS 30 -2.497 22.334 -2.146 226 HZ3 LYS 30 HZ3 LYS 30 -2.429 22.549 -3.856 227 H ILE 31 H ILE 31 1.506 19.880 2.076 228 HA ILE 31 HA ILE 31 3.167 22.066 2.763 229 HB ILE 31 HB ILE 31 1.894 20.777 4.441 230 HG12 ILE 31 HG12 ILE 31 4.912 20.988 5.036 231 HG13 ILE 31 HG13 ILE 31 3.751 22.337 5.073 232 HG21 ILE 31 HG21 ILE 31 4.120 18.642 4.342 233 HG22 ILE 31 HG22 ILE 31 2.661 18.624 5.363 234 HG23 ILE 31 HG23 ILE 31 2.507 18.412 3.621 235 HD11 ILE 31 HD11 ILE 31 4.114 21.634 7.362 236 HD12 ILE 31 HD12 ILE 31 2.457 21.142 6.912 237 HD13 ILE 31 HD13 ILE 31 3.774 19.930 6.992 238 H THR 32 H THR 32 4.077 18.648 1.738 239 HA THR 32 HA THR 32 6.926 19.404 2.089 240 HB THR 32 HB THR 32 5.677 16.787 1.151 241 HG1 THR 32 HG1 THR 32 6.568 17.539 3.775 242 HG21 THR 32 HG21 THR 32 7.899 15.796 1.758 243 HG22 THR 32 HG22 THR 32 8.538 17.428 2.106 244 HG23 THR 32 HG23 THR 32 8.069 16.986 0.438 245 H ASP 33 H ASP 33 4.730 18.162 -0.619 246 HA ASP 33 HA ASP 33 5.060 18.246 -2.907 247 HB2 ASP 33 HB2 ASP 33 4.595 20.694 -2.331 248 HB3 ASP 33 HB3 ASP 33 6.349 20.975 -2.231 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 -5.868 -11.725 -15.343 2 HA HIS 1 HA HIS 1 -7.336 -13.676 -15.533 3 HB2 HIS 1 HB2 HIS 1 -4.394 -14.169 -16.283 4 HB3 HIS 1 HB3 HIS 1 -5.649 -15.399 -16.573 5 HD1 HIS 1 HD1 HIS 1 -4.777 -11.887 -17.652 6 HD2 HIS 1 HD2 HIS 1 -7.340 -15.084 -18.594 7 HE1 HIS 1 HE1 HIS 1 -5.855 -11.277 -19.859 8 H ALA 2 H ALA 2 -8.171 -15.371 -14.191 9 HA ALA 2 HA ALA 2 -8.208 -16.962 -12.515 10 HB1 ALA 2 HB1 ALA 2 -7.047 -18.103 -14.402 11 HB2 ALA 2 HB2 ALA 2 -5.461 -17.580 -13.764 12 HB3 ALA 2 HB3 ALA 2 -6.480 -18.705 -12.813 13 H ASP 3 H ASP 3 -8.009 -14.900 -11.011 14 HA ASP 3 HA ASP 3 -5.507 -14.865 -9.465 15 HB2 ASP 3 HB2 ASP 3 -8.291 -13.690 -8.873 16 HB3 ASP 3 HB3 ASP 3 -6.859 -13.482 -7.844 17 H GLY 4 H GLY 4 -5.119 -16.170 -7.529 18 HA2 GLY 4 HA2 GLY 4 -7.130 -18.289 -7.005 19 HA3 GLY 4 HA3 GLY 4 -5.500 -18.158 -6.316 20 H SER 5 H SER 5 -7.555 -18.723 -4.523 21 HA SER 5 HA SER 5 -8.661 -16.235 -3.475 22 HB2 SER 5 HB2 SER 5 -9.979 -18.232 -3.154 23 HB3 SER 5 HB3 SER 5 -8.669 -19.065 -2.298 24 HG SER 5 HG SER 5 -9.959 -16.699 -1.315 25 H PHE 6 H PHE 6 -6.515 -18.575 -1.588 26 HA PHE 6 HA PHE 6 -5.397 -16.246 -0.219 27 HB2 PHE 6 HB2 PHE 6 -4.949 -19.259 0.049 28 HB3 PHE 6 HB3 PHE 6 -3.704 -18.152 0.627 29 HD1 PHE 6 HD1 PHE 6 -7.330 -19.017 1.047 30 HD2 PHE 6 HD2 PHE 6 -4.011 -16.731 2.551 31 HE1 PHE 6 HE1 PHE 6 -8.581 -18.556 3.135 32 HE2 PHE 6 HE2 PHE 6 -5.254 -16.291 4.637 33 HZ PHE 6 HZ PHE 6 -7.542 -17.205 4.938 34 H SER 7 H SER 7 -4.437 -18.271 -3.048 35 HA SER 7 HA SER 7 -1.747 -17.790 -2.980 36 HB2 SER 7 HB2 SER 7 -3.398 -18.780 -5.033 37 HB3 SER 7 HB3 SER 7 -2.730 -17.308 -5.771 38 HG SER 7 HG SER 7 -0.603 -18.267 -5.162 39 H ASP 8 H ASP 8 -4.337 -15.493 -4.161 40 HA ASP 8 HA ASP 8 -2.444 -13.417 -4.793 41 HB2 ASP 8 HB2 ASP 8 -5.451 -13.279 -4.155 42 HB3 ASP 8 HB3 ASP 8 -4.458 -11.858 -4.578 43 H GLU 9 H GLU 9 -4.328 -14.141 -1.691 44 HA GLU 9 HA GLU 9 -3.327 -11.769 -0.480 45 HB2 GLU 9 HB2 GLU 9 -4.244 -14.354 0.918 46 HB3 GLU 9 HB3 GLU 9 -3.718 -12.896 1.781 47 HG2 GLU 9 HG2 GLU 9 -6.069 -12.723 1.780 48 HG3 GLU 9 HG3 GLU 9 -5.525 -11.545 0.567 49 H MET 10 H MET 10 -1.388 -14.521 -1.430 50 HA MET 10 HA MET 10 0.410 -14.530 0.749 51 HB2 MET 10 HB2 MET 10 1.029 -14.801 -2.249 52 HB3 MET 10 HB3 MET 10 2.213 -15.108 -0.963 53 HG2 MET 10 HG2 MET 10 -0.435 -16.666 -1.284 54 HG3 MET 10 HG3 MET 10 1.167 -17.258 -1.781 55 HE1 MET 10 HE1 MET 10 2.867 -18.069 1.644 56 HE2 MET 10 HE2 MET 10 3.037 -17.987 -0.139 57 HE3 MET 10 HE3 MET 10 3.120 -16.485 0.849 58 H ASN 11 H ASN 11 -0.035 -12.040 -1.878 59 HA ASN 11 HA ASN 11 2.325 -10.573 -0.802 60 HB2 ASN 11 HB2 ASN 11 0.389 -9.807 -3.047 61 HB3 ASN 11 HB3 ASN 11 1.941 -9.019 -2.671 62 HD21 ASN 11 HD21 ASN 11 3.988 -10.507 -2.767 63 HD22 ASN 11 HD22 ASN 11 3.971 -11.737 -3.978 64 H THR 12 H THR 12 -0.352 -10.977 0.874 65 HA THR 12 HA THR 12 -1.295 -8.235 1.079 66 HB THR 12 HB THR 12 -1.573 -10.617 2.999 67 HG1 THR 12 HG1 THR 12 -3.369 -9.646 0.980 68 HG21 THR 12 HG21 THR 12 -3.574 -9.381 3.884 69 HG22 THR 12 HG22 THR 12 -3.139 -7.958 2.903 70 HG23 THR 12 HG23 THR 12 -2.066 -8.497 4.233 71 H ILE 13 H ILE 13 1.567 -10.033 2.279 72 HA ILE 13 HA ILE 13 1.984 -8.694 4.689 73 HB ILE 13 HB ILE 13 4.149 -9.374 2.609 74 HG12 ILE 13 HG12 ILE 13 3.104 -11.498 3.157 75 HG13 ILE 13 HG13 ILE 13 4.640 -11.385 4.008 76 HG21 ILE 13 HG21 ILE 13 5.020 -7.719 4.206 77 HG22 ILE 13 HG22 ILE 13 4.415 -8.661 5.591 78 HG23 ILE 13 HG23 ILE 13 5.736 -9.301 4.571 79 HD11 ILE 13 HD11 ILE 13 3.366 -10.768 6.146 80 HD12 ILE 13 HD12 ILE 13 1.834 -11.004 5.247 81 HD13 ILE 13 HD13 ILE 13 2.948 -12.370 5.485 82 H LEU 14 H LEU 14 3.042 -7.581 1.343 83 HA LEU 14 HA LEU 14 3.933 -5.097 2.473 84 HB2 LEU 14 HB2 LEU 14 4.409 -4.309 0.268 85 HB3 LEU 14 HB3 LEU 14 4.859 -6.018 0.418 86 HG LEU 14 HG LEU 14 2.470 -6.466 -0.740 87 HD11 LEU 14 HD11 LEU 14 3.023 -3.573 -1.683 88 HD12 LEU 14 HD12 LEU 14 1.634 -4.048 -0.683 89 HD13 LEU 14 HD13 LEU 14 1.774 -4.667 -2.334 90 HD21 LEU 14 HD21 LEU 14 3.539 -6.310 -3.004 91 HD22 LEU 14 HD22 LEU 14 4.654 -7.017 -1.810 92 HD23 LEU 14 HD23 LEU 14 4.847 -5.309 -2.306 93 H ASP 15 H ASP 15 0.699 -6.192 1.213 94 HA ASP 15 HA ASP 15 -0.393 -3.691 0.700 95 HB2 ASP 15 HB2 ASP 15 -1.678 -5.817 0.394 96 HB3 ASP 15 HB3 ASP 15 -1.837 -5.967 2.168 97 H ASN 16 H ASN 16 0.097 -5.287 3.945 98 HA ASN 16 HA ASN 16 -1.356 -3.401 5.454 99 HB2 ASN 16 HB2 ASN 16 1.364 -4.531 6.349 100 HB3 ASN 16 HB3 ASN 16 0.012 -4.038 7.396 101 HD21 ASN 16 HD21 ASN 16 -2.231 -5.425 6.448 102 HD22 ASN 16 HD22 ASN 16 -1.898 -7.116 6.423 103 H LEU 17 H LEU 17 1.981 -3.210 4.088 104 HA LEU 17 HA LEU 17 2.531 -0.684 5.449 105 HB2 LEU 17 HB2 LEU 17 4.014 -1.772 2.987 106 HB3 LEU 17 HB3 LEU 17 4.583 -0.596 4.193 107 HG LEU 17 HG LEU 17 4.172 -3.645 4.584 108 HD11 LEU 17 HD11 LEU 17 6.605 -3.690 4.923 109 HD12 LEU 17 HD12 LEU 17 6.700 -1.916 4.718 110 HD13 LEU 17 HD13 LEU 17 6.228 -2.956 3.341 111 HD21 LEU 17 HD21 LEU 17 4.959 -1.551 6.701 112 HD22 LEU 17 HD22 LEU 17 5.067 -3.324 6.908 113 HD23 LEU 17 HD23 LEU 17 3.476 -2.558 6.706 114 H ALA 18 H ALA 18 1.685 -1.717 2.031 115 HA ALA 18 HA ALA 18 1.879 0.818 0.915 116 HB1 ALA 18 HB1 ALA 18 -0.177 -1.339 0.139 117 HB2 ALA 18 HB2 ALA 18 0.348 0.028 -0.887 118 HB3 ALA 18 HB3 ALA 18 1.514 -1.261 -0.453 119 H ALA 19 H ALA 19 -0.884 -0.670 2.749 120 HA ALA 19 HA ALA 19 -2.913 1.055 2.143 121 HB1 ALA 19 HB1 ALA 19 -3.747 0.760 4.514 122 HB2 ALA 19 HB2 ALA 19 -3.185 -0.784 3.804 123 HB3 ALA 19 HB3 ALA 19 -2.156 0.084 4.979 124 H ARG 20 H ARG 20 -0.206 1.672 4.493 125 HA ARG 20 HA ARG 20 -1.176 4.433 4.933 126 HB2 ARG 20 HB2 ARG 20 0.998 2.714 6.164 127 HB3 ARG 20 HB3 ARG 20 1.248 4.460 6.167 128 HG2 ARG 20 HG2 ARG 20 0.106 3.512 8.235 129 HG3 ARG 20 HG3 ARG 20 -0.680 4.922 7.508 130 HD2 ARG 20 HD2 ARG 20 -2.580 3.765 6.844 131 HD3 ARG 20 HD3 ARG 20 -1.792 2.231 6.565 132 HE ARG 20 HE ARG 20 -2.974 3.196 9.051 133 HH11 ARG 20 HH12 ARG 20 -0.359 1.039 7.767 134 HH12 ARG 20 HH11 ARG 20 -0.436 0.007 9.186 135 HH21 ARG 20 HH22 ARG 20 -2.944 1.823 10.829 136 HH22 ARG 20 HH21 ARG 20 -1.845 0.443 10.887 137 H ASP 21 H ASP 21 1.380 2.832 2.872 138 HA ASP 21 HA ASP 21 2.896 5.095 2.383 139 HB2 ASP 21 HB2 ASP 21 3.359 2.924 1.222 140 HB3 ASP 21 HB3 ASP 21 1.902 3.146 0.212 141 H PHE 22 H PHE 22 -0.331 4.234 0.819 142 HA PHE 22 HA PHE 22 -0.225 6.690 -0.689 143 HB2 PHE 22 HB2 PHE 22 -2.243 6.131 -1.717 144 HB3 PHE 22 HB3 PHE 22 -1.487 4.563 -1.400 145 HD1 PHE 22 HD1 PHE 22 -4.036 7.061 -0.256 146 HD2 PHE 22 HD2 PHE 22 -2.656 3.000 0.159 147 HE1 PHE 22 HE1 PHE 22 -6.121 6.474 0.931 148 HE2 PHE 22 HE2 PHE 22 -4.774 2.412 1.306 149 HZ PHE 22 HZ PHE 22 -6.485 4.150 1.735 150 H ILE 23 H ILE 23 -1.920 5.597 2.376 151 HA ILE 23 HA ILE 23 -3.512 7.914 2.504 152 HB ILE 23 HB ILE 23 -3.189 5.660 4.236 153 HG12 ILE 23 HG12 ILE 23 -5.307 6.547 3.434 154 HG13 ILE 23 HG13 ILE 23 -5.289 6.205 5.174 155 HG21 ILE 23 HG21 ILE 23 -3.174 6.598 6.532 156 HG22 ILE 23 HG22 ILE 23 -1.618 6.868 5.718 157 HG23 ILE 23 HG23 ILE 23 -2.772 8.214 5.896 158 HD11 ILE 23 HD11 ILE 23 -4.986 9.057 4.001 159 HD12 ILE 23 HD12 ILE 23 -6.503 8.342 4.605 160 HD13 ILE 23 HD13 ILE 23 -5.148 8.619 5.725 161 H ASN 24 H ASN 24 -0.142 7.387 3.746 162 HA ASN 24 HA ASN 24 -0.067 10.183 4.692 163 HB2 ASN 24 HB2 ASN 24 1.945 7.874 4.798 164 HB3 ASN 24 HB3 ASN 24 2.493 9.528 5.043 165 HD21 ASN 24 HD21 ASN 24 0.841 6.888 6.717 166 HD22 ASN 24 HD22 ASN 24 0.548 7.808 8.145 167 H TRP 25 H TRP 25 0.009 9.046 1.507 168 HA TRP 25 HA TRP 25 2.116 10.966 0.720 169 HB2 TRP 25 HB2 TRP 25 2.146 9.595 -1.109 170 HB3 TRP 25 HB3 TRP 25 0.563 8.907 -0.748 171 HD1 TRP 25 HD1 TRP 25 1.911 12.230 -2.280 172 HE1 TRP 25 HE1 TRP 25 0.286 12.964 -4.065 173 HE3 TRP 25 HE3 TRP 25 -1.725 8.568 -1.711 174 HZ2 TRP 25 HZ2 TRP 25 -2.113 12.199 -5.154 175 HZ3 TRP 25 HZ3 TRP 25 -3.694 8.652 -3.240 176 HH2 TRP 25 HH2 TRP 25 -3.882 10.434 -4.949 177 H LEU 26 H LEU 26 -1.525 10.746 0.787 178 HA LEU 26 HA LEU 26 -2.117 13.081 -0.561 179 HB2 LEU 26 HB2 LEU 26 -3.428 12.182 2.059 180 HB3 LEU 26 HB3 LEU 26 -4.099 13.398 0.945 181 HG LEU 26 HG LEU 26 -3.734 10.394 0.284 182 HD11 LEU 26 HD11 LEU 26 -6.278 12.048 0.761 183 HD12 LEU 26 HD12 LEU 26 -5.580 10.873 1.915 184 HD13 LEU 26 HD13 LEU 26 -6.204 10.314 0.343 185 HD21 LEU 26 HD21 LEU 26 -5.046 10.926 -1.799 186 HD22 LEU 26 HD22 LEU 26 -3.459 11.712 -1.814 187 HD23 LEU 26 HD23 LEU 26 -4.916 12.668 -1.425 188 H ILE 27 H ILE 27 -1.025 12.829 2.898 189 HA ILE 27 HA ILE 27 -1.318 15.661 3.293 190 HB ILE 27 HB ILE 27 -0.101 15.462 5.376 191 HG12 ILE 27 HG12 ILE 27 0.559 12.878 5.998 192 HG13 ILE 27 HG13 ILE 27 0.874 12.819 4.259 193 HG21 ILE 27 HG21 ILE 27 -2.509 14.755 5.266 194 HG22 ILE 27 HG22 ILE 27 -1.997 13.058 5.045 195 HG23 ILE 27 HG23 ILE 27 -1.602 13.923 6.552 196 HD11 ILE 27 HD11 ILE 27 2.432 14.879 4.594 197 HD12 ILE 27 HD12 ILE 27 2.151 14.692 6.341 198 HD13 ILE 27 HD13 ILE 27 2.954 13.386 5.422 199 H GLN 28 H GLN 28 1.468 13.731 1.983 200 HA GLN 28 HA GLN 28 3.023 16.295 1.965 201 HB2 GLN 28 HB2 GLN 28 5.042 14.929 1.518 202 HB3 GLN 28 HB3 GLN 28 4.304 14.521 3.070 203 HG2 GLN 28 HG2 GLN 28 3.465 12.439 2.247 204 HG3 GLN 28 HG3 GLN 28 3.663 12.880 0.536 205 HE21 GLN 28 HE21 GLN 28 6.014 13.257 -0.247 206 HE22 GLN 28 HE22 GLN 28 7.204 12.227 0.462 207 H THR 29 H THR 29 0.883 16.147 0.061 208 HA THR 29 HA THR 29 2.149 15.241 -2.459 209 HB THR 29 HB THR 29 -0.531 16.621 -1.911 210 HG1 THR 29 HG1 THR 29 -0.250 14.307 -1.341 211 HG21 THR 29 HG21 THR 29 -1.022 16.066 -4.306 212 HG22 THR 29 HG22 THR 29 0.679 15.572 -4.550 213 HG23 THR 29 HG23 THR 29 0.284 17.280 -4.183 214 H LYS 30 H LYS 30 0.953 18.445 -1.100 215 HA LYS 30 HA LYS 30 2.322 19.809 -3.264 216 HB2 LYS 30 HB2 LYS 30 0.171 20.607 -2.283 217 HB3 LYS 30 HB3 LYS 30 0.981 20.893 -0.726 218 HG2 LYS 30 HG2 LYS 30 0.640 23.000 -1.990 219 HG3 LYS 30 HG3 LYS 30 2.361 22.693 -1.670 220 HD2 LYS 30 HD2 LYS 30 1.924 23.623 -3.937 221 HD3 LYS 30 HD3 LYS 30 2.749 22.056 -4.036 222 HE2 LYS 30 HE2 LYS 30 0.638 20.921 -4.680 223 HE3 LYS 30 HE3 LYS 30 -0.302 22.405 -4.365 224 HZ1 LYS 30 HZ1 LYS 30 0.842 23.532 -6.216 225 HZ2 LYS 30 HZ2 LYS 30 0.166 22.040 -6.783 226 HZ3 LYS 30 HZ3 LYS 30 1.878 22.154 -6.472 227 H ILE 31 H ILE 31 3.195 18.995 0.163 228 HA ILE 31 HA ILE 31 5.074 21.015 0.485 229 HB ILE 31 HB ILE 31 4.357 19.335 2.272 230 HG12 ILE 31 HG12 ILE 31 6.562 19.211 3.482 231 HG13 ILE 31 HG13 ILE 31 7.389 19.835 2.035 232 HG21 ILE 31 HG21 ILE 31 4.862 17.267 0.834 233 HG22 ILE 31 HG22 ILE 31 6.593 17.545 1.140 234 HG23 ILE 31 HG23 ILE 31 5.499 17.202 2.502 235 HD11 ILE 31 HD11 ILE 31 6.904 21.582 3.827 236 HD12 ILE 31 HD12 ILE 31 6.159 22.019 2.276 237 HD13 ILE 31 HD13 ILE 31 5.156 21.326 3.586 238 H THR 32 H THR 32 5.424 17.927 -1.376 239 HA THR 32 HA THR 32 8.136 18.900 -2.246 240 HB THR 32 HB THR 32 7.159 16.016 -1.875 241 HG1 THR 32 HG1 THR 32 9.082 17.511 -0.379 242 HG21 THR 32 HG21 THR 32 8.748 16.212 -3.823 243 HG22 THR 32 HG22 THR 32 9.532 15.416 -2.431 244 HG23 THR 32 HG23 THR 32 9.897 17.125 -2.803 245 H ASP 33 H ASP 33 5.349 16.716 -3.374 246 HA ASP 33 HA ASP 33 4.384 16.600 -5.451 247 HB2 ASP 33 HB2 ASP 33 4.130 19.128 -4.909 248 HB3 ASP 33 HB3 ASP 33 5.486 19.417 -6.024
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