NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636145 | 6gnz | 34278 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 -13.328 10.062 -1.892 2 H2 ARG 1 HT2 ARG 1 -14.245 11.171 -2.714 3 H3 ARG 1 HT3 ARG 1 -13.559 9.900 -3.567 4 HA ARG 1 HA ARG 1 -15.710 9.717 -1.549 5 HB2 ARG 1 HB2 ARG 1 -16.250 10.667 -3.827 6 HB3 ARG 1 HB3 ARG 1 -15.716 9.157 -4.527 7 HG2 ARG 1 HG2 ARG 1 -17.523 8.046 -3.151 8 HG3 ARG 1 HG3 ARG 1 -18.125 9.673 -2.824 9 HD2 ARG 1 HD2 ARG 1 -18.261 10.099 -5.246 10 HD3 ARG 1 HD3 ARG 1 -17.705 8.446 -5.517 11 HE ARG 1 HE ARG 1 -20.188 8.963 -4.051 12 HH11 ARG 1 HH11 ARG 1 -18.517 7.478 -6.834 13 HH12 ARG 1 HH12 ARG 1 -19.896 6.586 -7.298 14 HH21 ARG 1 HH21 ARG 1 -22.037 7.805 -4.783 15 HH22 ARG 1 HH22 ARG 1 -21.931 6.771 -6.130 16 H ASN 2 H ASN 2 -12.950 8.256 -2.559 17 HA ASN 2 HA ASN 2 -14.076 5.571 -2.492 18 HB2 ASN 2 HB2 ASN 2 -12.008 4.783 -3.522 19 HB3 ASN 2 HB3 ASN 2 -12.719 6.068 -4.479 20 HD21 ASN 2 HD21 ASN 2 -10.045 5.077 -2.566 21 HD22 ASN 2 HD22 ASN 2 -9.018 6.411 -2.895 22 H LYS 3 H LYS 3 -13.565 4.135 -0.962 23 HA LYS 3 HA LYS 3 -11.342 4.092 0.712 24 HB2 LYS 3 HB2 LYS 3 -12.617 6.101 1.628 25 HB3 LYS 3 HB3 LYS 3 -13.911 4.979 2.017 26 HG2 LYS 3 HG2 LYS 3 -12.133 3.665 3.269 27 HG3 LYS 3 HG3 LYS 3 -11.153 5.129 3.112 28 HD2 LYS 3 HD2 LYS 3 -12.254 5.227 5.231 29 HD3 LYS 3 HD3 LYS 3 -13.073 6.364 4.148 30 HE2 LYS 3 HE2 LYS 3 -14.783 4.642 3.663 31 HE3 LYS 3 HE3 LYS 3 -13.970 3.562 4.768 32 HZ1 LYS 3 HZ1 LYS 3 -14.436 5.079 6.570 33 HZ2 LYS 3 HZ2 LYS 3 -15.881 4.678 5.785 34 HZ3 LYS 3 HZ3 LYS 3 -15.154 6.165 5.516 35 H LEU 4 H LEU 4 -11.428 2.048 1.777 36 HA LEU 4 HA LEU 4 -13.668 0.482 2.299 37 HB2 LEU 4 HB2 LEU 4 -13.854 0.681 -0.212 38 HB3 LEU 4 HB3 LEU 4 -12.348 -0.213 -0.339 39 HG LEU 4 HG LEU 4 -13.534 -2.092 0.901 40 HD11 LEU 4 HD11 LEU 4 -15.973 -2.088 0.844 41 HD12 LEU 4 HD12 LEU 4 -15.957 -0.456 0.185 42 HD13 LEU 4 HD13 LEU 4 -15.364 -0.747 1.814 43 HD21 LEU 4 HD21 LEU 4 -13.124 -2.175 -1.510 44 HD22 LEU 4 HD22 LEU 4 -14.616 -1.288 -1.803 45 HD23 LEU 4 HD23 LEU 4 -14.676 -2.905 -1.105 46 H ALA 5 H ALA 5 -12.967 -1.719 2.795 47 HA ALA 5 HA ALA 5 -10.510 -1.859 4.062 48 HB1 ALA 5 HB1 ALA 5 -12.419 -3.268 4.613 49 HB2 ALA 5 HB2 ALA 5 -10.989 -4.263 4.320 50 HB3 ALA 5 HB3 ALA 5 -12.244 -4.120 3.082 51 H TYR 6 H TYR 6 -11.405 -2.646 0.848 52 HA TYR 6 HA TYR 6 -8.889 -3.919 0.216 53 HB2 TYR 6 HB2 TYR 6 -11.224 -3.168 -1.527 54 HB3 TYR 6 HB3 TYR 6 -9.769 -3.963 -2.124 55 HD1 TYR 6 HD1 TYR 6 -9.246 -6.240 -1.458 56 HD2 TYR 6 HD2 TYR 6 -12.873 -4.383 -0.258 57 HE1 TYR 6 HE1 TYR 6 -10.149 -8.420 -0.868 58 HE2 TYR 6 HE2 TYR 6 -13.798 -6.585 0.348 59 HH TYR 6 HH TYR 6 -11.833 -9.338 0.568 60 H ASN 7 H ASN 7 -10.218 -0.800 0.138 61 HA ASN 7 HA ASN 7 -8.319 0.243 -1.735 62 HB2 ASN 7 HB2 ASN 7 -10.410 1.414 -1.628 63 HB3 ASN 7 HB3 ASN 7 -10.276 1.616 0.110 64 HD21 ASN 7 HD21 ASN 7 -9.048 2.680 -2.975 65 HD22 ASN 7 HD22 ASN 7 -8.293 4.125 -2.384 66 H MET 8 H MET 8 -8.842 0.739 1.705 67 HA MET 8 HA MET 8 -6.234 1.861 1.929 68 HB2 MET 8 HB2 MET 8 -8.292 1.314 4.047 69 HB3 MET 8 HB3 MET 8 -6.724 2.030 4.377 70 HG2 MET 8 HG2 MET 8 -8.576 3.289 2.385 71 HG3 MET 8 HG3 MET 8 -8.794 3.555 4.109 72 HE1 MET 8 HE1 MET 8 -5.181 3.394 2.125 73 HE2 MET 8 HE2 MET 8 -5.150 5.074 1.625 74 HE3 MET 8 HE3 MET 8 -6.416 3.999 1.024 75 H GLY 9 H GLY 9 -7.684 -0.989 3.537 76 HA2 GLY 9 HA2 GLY 9 -5.290 -1.822 4.735 77 HA3 GLY 9 HA3 GLY 9 -6.715 -2.811 4.490 78 H HIS 10 H HIS 10 -6.793 -2.893 1.734 79 HA HIS 10 HA HIS 10 -4.818 -4.912 1.317 80 HB2 HIS 10 HB2 HIS 10 -7.135 -4.889 0.301 81 HB3 HIS 10 HB3 HIS 10 -6.549 -3.674 -0.840 82 HD1 HIS 10 HD1 HIS 10 -4.965 -6.923 0.331 83 HD2 HIS 10 HD2 HIS 10 -6.305 -5.044 -3.107 84 HE1 HIS 10 HE1 HIS 10 -4.310 -8.422 -1.536 85 H TYR 11 H TYR 11 -5.109 -1.560 0.158 86 HA TYR 11 HA TYR 11 -2.736 -1.669 -1.374 87 HB2 TYR 11 HB2 TYR 11 -4.453 0.513 -0.387 88 HB3 TYR 11 HB3 TYR 11 -2.802 0.930 -0.825 89 HD1 TYR 11 HD1 TYR 11 -5.965 -0.490 -2.127 90 HD2 TYR 11 HD2 TYR 11 -2.114 1.042 -3.015 91 HE1 TYR 11 HE1 TYR 11 -6.567 -0.391 -4.502 92 HE2 TYR 11 HE2 TYR 11 -2.669 1.163 -5.362 93 HH TYR 11 HH TYR 11 -4.197 0.267 -6.929 94 H ALA 12 H ALA 12 -3.329 -0.982 1.992 95 HA ALA 12 HA ALA 12 -0.832 0.033 2.670 96 HB1 ALA 12 HB1 ALA 12 -2.596 -1.788 4.316 97 HB2 ALA 12 HB2 ALA 12 -2.722 -0.033 4.233 98 HB3 ALA 12 HB3 ALA 12 -1.283 -0.785 4.939 99 H GLY 13 H GLY 13 -1.916 -3.267 2.205 100 HA2 GLY 13 HA2 GLY 13 0.451 -4.578 3.019 101 HA3 GLY 13 HA3 GLY 13 -0.756 -5.234 1.914 102 H LYS 14 H LYS 14 -0.664 -3.470 -0.135 103 HA LYS 14 HA LYS 14 1.585 -4.376 -1.613 104 HB2 LYS 14 HB2 LYS 14 -0.548 -2.360 -2.232 105 HB3 LYS 14 HB3 LYS 14 0.845 -2.516 -3.279 106 HG2 LYS 14 HG2 LYS 14 -0.997 -3.734 -4.198 107 HG3 LYS 14 HG3 LYS 14 0.249 -4.865 -3.690 108 HD2 LYS 14 HD2 LYS 14 -1.027 -5.479 -1.762 109 HD3 LYS 14 HD3 LYS 14 -2.194 -4.194 -2.069 110 HE2 LYS 14 HE2 LYS 14 -3.079 -6.314 -2.791 111 HE3 LYS 14 HE3 LYS 14 -2.813 -5.256 -4.166 112 HZ1 LYS 14 HZ1 LYS 14 -0.672 -6.516 -4.537 113 HZ2 LYS 14 HZ2 LYS 14 -2.075 -7.363 -4.756 114 HZ3 LYS 14 HZ3 LYS 14 -1.207 -7.609 -3.352 115 H ALA 15 H ALA 15 0.784 -1.260 -0.252 116 HA ALA 15 HA ALA 15 3.050 0.040 -1.259 117 HB1 ALA 15 HB1 ALA 15 1.056 1.257 -0.567 118 HB2 ALA 15 HB2 ALA 15 2.513 1.839 0.247 119 HB3 ALA 15 HB3 ALA 15 1.373 0.812 1.117 120 H THR 16 H THR 16 2.506 -1.776 1.657 121 HA THR 16 HA THR 16 4.985 -0.900 2.783 122 HB THR 16 HB THR 16 3.400 -3.329 3.669 123 HG1 THR 16 HG1 THR 16 2.073 -1.549 3.887 124 HG21 THR 16 HG21 THR 16 4.535 -2.923 5.831 125 HG22 THR 16 HG22 THR 16 5.410 -1.573 5.104 126 HG23 THR 16 HG23 THR 16 5.710 -3.215 4.546 127 H ILE 17 H ILE 17 3.986 -3.696 0.851 128 HA ILE 17 HA ILE 17 6.614 -4.766 1.146 129 HB ILE 17 HB ILE 17 4.825 -6.383 0.863 130 HG12 ILE 17 HG12 ILE 17 5.769 -7.806 -0.968 131 HG13 ILE 17 HG13 ILE 17 6.724 -6.423 -1.488 132 HG21 ILE 17 HG21 ILE 17 3.636 -6.725 -1.263 133 HG22 ILE 17 HG22 ILE 17 4.376 -5.249 -1.882 134 HG23 ILE 17 HG23 ILE 17 3.279 -5.174 -0.501 135 HD11 ILE 17 HD11 ILE 17 7.901 -6.425 0.635 136 HD12 ILE 17 HD12 ILE 17 8.020 -8.004 -0.142 137 HD13 ILE 17 HD13 ILE 17 6.897 -7.758 1.198 138 H PHE 18 H PHE 18 4.918 -3.272 -1.605 139 HA PHE 18 HA PHE 18 7.330 -3.246 -3.159 140 HB2 PHE 18 HB2 PHE 18 4.691 -1.924 -3.760 141 HB3 PHE 18 HB3 PHE 18 6.031 -2.187 -4.881 142 HD1 PHE 18 HD1 PHE 18 6.802 -4.922 -4.292 143 HD2 PHE 18 HD2 PHE 18 2.941 -3.177 -4.559 144 HE1 PHE 18 HE1 PHE 18 5.866 -7.100 -4.924 145 HE2 PHE 18 HE2 PHE 18 1.990 -5.345 -5.180 146 HZ PHE 18 HZ PHE 18 3.452 -7.319 -5.361 147 H GLY 19 H GLY 19 5.213 -0.690 -1.951 148 HA2 GLY 19 HA2 GLY 19 6.736 1.506 -2.796 149 HA3 GLY 19 HA3 GLY 19 5.581 1.511 -1.461 150 H LEU 20 H LEU 20 6.552 0.054 0.396 151 HA LEU 20 HA LEU 20 8.513 1.668 1.541 152 HB2 LEU 20 HB2 LEU 20 6.812 -0.067 2.549 153 HB3 LEU 20 HB3 LEU 20 8.231 -1.101 2.544 154 HG LEU 20 HG LEU 20 9.368 0.904 3.698 155 HD11 LEU 20 HD11 LEU 20 7.870 2.291 5.014 156 HD12 LEU 20 HD12 LEU 20 6.502 1.410 4.328 157 HD13 LEU 20 HD13 LEU 20 7.488 2.421 3.280 158 HD21 LEU 20 HD21 LEU 20 7.333 -0.776 5.151 159 HD22 LEU 20 HD22 LEU 20 8.700 0.086 5.876 160 HD23 LEU 20 HD23 LEU 20 8.993 -1.244 4.756 161 H ALA 21 H ALA 21 8.868 -1.304 -0.371 162 HA ALA 21 HA ALA 21 11.494 -1.932 0.357 163 HB1 ALA 21 HB1 ALA 21 10.115 -2.330 -2.301 164 HB2 ALA 21 HB2 ALA 21 10.070 -3.447 -0.946 165 HB3 ALA 21 HB3 ALA 21 11.592 -3.144 -1.786 166 H ALA 22 H ALA 22 10.171 0.385 -1.878 167 HA ALA 22 HA ALA 22 12.617 1.015 -3.177 168 HB1 ALA 22 HB1 ALA 22 11.430 2.938 -4.068 169 HB2 ALA 22 HB2 ALA 22 10.111 2.653 -2.919 170 HB3 ALA 22 HB3 ALA 22 10.455 1.467 -4.183 171 H TRP 23 H TRP 23 11.042 2.067 -0.331 172 HA TRP 23 HA TRP 23 12.842 4.298 -0.034 173 HB2 TRP 23 HB2 TRP 23 10.227 3.749 0.763 174 HB3 TRP 23 HB3 TRP 23 11.176 3.939 2.236 175 HD1 TRP 23 HD1 TRP 23 10.938 6.340 3.000 176 HE1 TRP 23 HE1 TRP 23 10.985 8.661 1.896 177 HE3 TRP 23 HE3 TRP 23 11.464 4.856 -1.834 178 HZ2 TRP 23 HZ2 TRP 23 11.297 9.716 -0.758 179 HZ3 TRP 23 HZ3 TRP 23 11.680 6.516 -3.582 180 HH2 TRP 23 HH2 TRP 23 11.604 8.909 -3.074 181 H ALA 24 H ALA 24 12.142 1.307 1.652 182 HA ALA 24 HA ALA 24 14.115 1.813 3.609 183 HB1 ALA 24 HB1 ALA 24 12.671 -0.748 2.942 184 HB2 ALA 24 HB2 ALA 24 12.145 0.467 4.094 185 HB3 ALA 24 HB3 ALA 24 13.621 -0.453 4.402 186 H LEU 25 H LEU 25 13.859 -0.520 0.954 187 HA LEU 25 HA LEU 25 16.535 -1.500 1.290 188 HB2 LEU 25 HB2 LEU 25 14.339 -2.164 -0.641 189 HB3 LEU 25 HB3 LEU 25 15.905 -2.988 -0.610 190 HG LEU 25 HG LEU 25 13.873 -2.944 1.630 191 HD11 LEU 25 HD11 LEU 25 13.463 -5.286 1.034 192 HD12 LEU 25 HD12 LEU 25 14.562 -5.125 -0.337 193 HD13 LEU 25 HD13 LEU 25 13.069 -4.196 -0.294 194 HD21 LEU 25 HD21 LEU 25 16.435 -4.508 1.298 195 HD22 LEU 25 HD22 LEU 25 15.256 -4.723 2.592 196 HD23 LEU 25 HD23 LEU 25 16.151 -3.213 2.467 197 H LEU 26 H LEU 26 14.858 0.531 -1.072 198 HA LEU 26 HA LEU 26 17.136 0.408 -2.844 199 HB2 LEU 26 HB2 LEU 26 14.904 0.108 -3.768 200 HB3 LEU 26 HB3 LEU 26 14.442 1.668 -3.115 201 HG LEU 26 HG LEU 26 16.047 2.726 -4.620 202 HD11 LEU 26 HD11 LEU 26 17.553 0.908 -5.068 203 HD12 LEU 26 HD12 LEU 26 16.861 1.465 -6.590 204 HD13 LEU 26 HD13 LEU 26 16.268 -0.018 -5.841 205 HD21 LEU 26 HD21 LEU 26 13.712 2.699 -5.153 206 HD22 LEU 26 HD22 LEU 26 13.854 1.102 -5.899 207 HD23 LEU 26 HD23 LEU 26 14.634 2.501 -6.643 208 H ALA 27 H ALA 27 16.053 2.436 -0.453 209 HA ALA 27 HA ALA 27 17.476 4.698 -1.637 210 HB1 ALA 27 HB1 ALA 27 15.502 4.818 0.661 211 HB2 ALA 27 HB2 ALA 27 15.148 5.229 -1.012 212 HB3 ALA 27 HB3 ALA 27 16.295 6.190 -0.096 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 8.113 -6.685 -3.477 2 H2 ARG 1 HT2 ARG 1 8.455 -8.213 -4.008 3 H3 ARG 1 HT3 ARG 1 9.668 -7.012 -4.017 4 HA ARG 1 HA ARG 1 8.394 -8.205 -1.628 5 HB2 ARG 1 HB2 ARG 1 11.283 -8.225 -2.536 6 HB3 ARG 1 HB3 ARG 1 10.618 -9.019 -1.108 7 HG2 ARG 1 HG2 ARG 1 9.300 -10.471 -2.519 8 HG3 ARG 1 HG3 ARG 1 9.920 -9.657 -3.951 9 HD2 ARG 1 HD2 ARG 1 12.197 -10.326 -3.289 10 HD3 ARG 1 HD3 ARG 1 11.516 -11.242 -1.953 11 HE ARG 1 HE ARG 1 10.607 -11.785 -4.665 12 HH11 ARG 1 HH11 ARG 1 12.080 -12.956 -1.694 13 HH12 ARG 1 HH12 ARG 1 12.502 -14.483 -2.303 14 HH21 ARG 1 HH21 ARG 1 11.136 -13.898 -5.539 15 HH22 ARG 1 HH22 ARG 1 11.921 -15.055 -4.580 16 H ASN 2 H ASN 2 8.727 -7.145 0.236 17 HA ASN 2 HA ASN 2 9.590 -4.402 -0.231 18 HB2 ASN 2 HB2 ASN 2 7.672 -5.390 1.902 19 HB3 ASN 2 HB3 ASN 2 8.109 -3.718 1.570 20 HD21 ASN 2 HD21 ASN 2 5.996 -3.024 1.100 21 HD22 ASN 2 HD22 ASN 2 5.148 -3.568 -0.286 22 H LYS 3 H LYS 3 11.066 -3.467 1.007 23 HA LYS 3 HA LYS 3 11.909 -4.544 3.519 24 HB2 LYS 3 HB2 LYS 3 14.273 -4.790 2.793 25 HB3 LYS 3 HB3 LYS 3 13.179 -6.058 2.256 26 HG2 LYS 3 HG2 LYS 3 12.956 -5.018 0.139 27 HG3 LYS 3 HG3 LYS 3 14.011 -3.701 0.643 28 HD2 LYS 3 HD2 LYS 3 14.874 -6.612 0.507 29 HD3 LYS 3 HD3 LYS 3 15.233 -5.419 -0.744 30 HE2 LYS 3 HE2 LYS 3 16.492 -4.094 0.845 31 HE3 LYS 3 HE3 LYS 3 16.050 -5.195 2.141 32 HZ1 LYS 3 HZ1 LYS 3 17.640 -5.957 -0.235 33 HZ2 LYS 3 HZ2 LYS 3 17.283 -6.927 1.084 34 HZ3 LYS 3 HZ3 LYS 3 18.283 -5.582 1.273 35 H LEU 4 H LEU 4 12.511 -2.332 0.952 36 HA LEU 4 HA LEU 4 13.966 -0.491 2.638 37 HB2 LEU 4 HB2 LEU 4 14.387 -1.020 0.262 38 HB3 LEU 4 HB3 LEU 4 12.901 -0.202 -0.153 39 HG LEU 4 HG LEU 4 13.866 1.894 0.883 40 HD11 LEU 4 HD11 LEU 4 16.441 0.335 0.730 41 HD12 LEU 4 HD12 LEU 4 15.615 0.809 2.207 42 HD13 LEU 4 HD13 LEU 4 16.272 2.046 1.133 43 HD21 LEU 4 HD21 LEU 4 13.735 1.623 -1.512 44 HD22 LEU 4 HD22 LEU 4 15.241 0.709 -1.522 45 HD23 LEU 4 HD23 LEU 4 15.249 2.417 -1.085 46 H ALA 5 H ALA 5 13.271 1.763 2.781 47 HA ALA 5 HA ALA 5 10.880 2.102 4.095 48 HB1 ALA 5 HB1 ALA 5 11.344 4.483 3.989 49 HB2 ALA 5 HB2 ALA 5 12.522 4.197 2.701 50 HB3 ALA 5 HB3 ALA 5 12.816 3.563 4.316 51 H TYR 6 H TYR 6 11.633 2.720 0.789 52 HA TYR 6 HA TYR 6 9.005 3.766 0.298 53 HB2 TYR 6 HB2 TYR 6 11.241 3.201 -1.621 54 HB3 TYR 6 HB3 TYR 6 9.658 3.757 -2.141 55 HD1 TYR 6 HD1 TYR 6 8.860 5.977 -1.520 56 HD2 TYR 6 HD2 TYR 6 12.792 4.706 -0.572 57 HE1 TYR 6 HE1 TYR 6 9.499 8.309 -1.114 58 HE2 TYR 6 HE2 TYR 6 13.450 7.043 -0.145 59 HH TYR 6 HH TYR 6 11.160 9.520 0.128 60 H ASN 7 H ASN 7 10.353 0.649 0.309 61 HA ASN 7 HA ASN 7 8.419 -0.440 -1.550 62 HB2 ASN 7 HB2 ASN 7 9.878 -1.959 0.606 63 HB3 ASN 7 HB3 ASN 7 9.018 -2.608 -0.768 64 HD21 ASN 7 HD21 ASN 7 10.372 -0.650 -2.649 65 HD22 ASN 7 HD22 ASN 7 11.948 -1.342 -2.774 66 H MET 8 H MET 8 8.992 -0.787 1.901 67 HA MET 8 HA MET 8 6.321 -1.722 2.216 68 HB2 MET 8 HB2 MET 8 7.922 -2.956 3.443 69 HB3 MET 8 HB3 MET 8 8.567 -1.548 4.212 70 HG2 MET 8 HG2 MET 8 7.148 -2.921 5.703 71 HG3 MET 8 HG3 MET 8 6.601 -1.257 5.555 72 HE1 MET 8 HE1 MET 8 5.964 -4.986 4.439 73 HE2 MET 8 HE2 MET 8 6.026 -4.154 2.871 74 HE3 MET 8 HE3 MET 8 4.506 -4.816 3.455 75 H GLY 9 H GLY 9 8.063 0.970 3.711 76 HA2 GLY 9 HA2 GLY 9 5.860 1.963 5.141 77 HA3 GLY 9 HA3 GLY 9 7.294 2.881 4.723 78 H HIS 10 H HIS 10 7.107 2.919 2.007 79 HA HIS 10 HA HIS 10 5.217 5.011 1.624 80 HB2 HIS 10 HB2 HIS 10 7.385 4.840 0.442 81 HB3 HIS 10 HB3 HIS 10 6.734 3.486 -0.498 82 HD1 HIS 10 HD1 HIS 10 5.613 7.011 0.319 83 HD2 HIS 10 HD2 HIS 10 5.943 4.383 -2.854 84 HE1 HIS 10 HE1 HIS 10 4.669 8.215 -1.623 85 H TYR 11 H TYR 11 5.221 1.610 0.568 86 HA TYR 11 HA TYR 11 2.749 1.788 -0.815 87 HB2 TYR 11 HB2 TYR 11 4.483 -0.391 0.074 88 HB3 TYR 11 HB3 TYR 11 2.790 -0.800 -0.197 89 HD1 TYR 11 HD1 TYR 11 5.822 0.566 -1.820 90 HD2 TYR 11 HD2 TYR 11 1.930 -1.019 -2.305 91 HE1 TYR 11 HE1 TYR 11 6.217 0.371 -4.255 92 HE2 TYR 11 HE2 TYR 11 2.272 -1.228 -4.701 93 HH TYR 11 HH TYR 11 3.660 -0.375 -6.445 94 H ALA 12 H ALA 12 3.546 1.144 2.513 95 HA ALA 12 HA ALA 12 1.142 0.044 3.345 96 HB1 ALA 12 HB1 ALA 12 3.124 0.172 4.765 97 HB2 ALA 12 HB2 ALA 12 1.701 0.825 5.584 98 HB3 ALA 12 HB3 ALA 12 2.914 1.917 4.904 99 H GLY 13 H GLY 13 2.072 3.414 2.986 100 HA2 GLY 13 HA2 GLY 13 -0.280 4.571 4.021 101 HA3 GLY 13 HA3 GLY 13 0.830 5.342 2.901 102 H LYS 14 H LYS 14 0.586 3.486 0.791 103 HA LYS 14 HA LYS 14 -1.822 4.505 -0.382 104 HB2 LYS 14 HB2 LYS 14 0.410 2.812 -1.439 105 HB3 LYS 14 HB3 LYS 14 -1.075 2.964 -2.352 106 HG2 LYS 14 HG2 LYS 14 0.507 4.545 -3.213 107 HG3 LYS 14 HG3 LYS 14 -0.766 5.420 -2.370 108 HD2 LYS 14 HD2 LYS 14 0.727 5.636 -0.409 109 HD3 LYS 14 HD3 LYS 14 1.997 4.816 -1.308 110 HE2 LYS 14 HE2 LYS 14 0.698 7.423 -2.083 111 HE3 LYS 14 HE3 LYS 14 2.298 7.246 -1.369 112 HZ1 LYS 14 HZ1 LYS 14 2.510 7.508 -3.738 113 HZ2 LYS 14 HZ2 LYS 14 1.423 6.279 -4.034 114 HZ3 LYS 14 HZ3 LYS 14 2.913 5.914 -3.359 115 H ALA 15 H ALA 15 -0.790 1.473 0.917 116 HA ALA 15 HA ALA 15 -2.999 0.023 -0.098 117 HB1 ALA 15 HB1 ALA 15 -0.901 -1.071 0.477 118 HB2 ALA 15 HB2 ALA 15 -2.278 -1.765 1.338 119 HB3 ALA 15 HB3 ALA 15 -1.163 -0.682 2.180 120 H THR 16 H THR 16 -2.497 1.929 2.774 121 HA THR 16 HA THR 16 -4.824 0.924 4.042 122 HB THR 16 HB THR 16 -3.567 3.630 4.561 123 HG1 THR 16 HG1 THR 16 -2.988 1.086 5.713 124 HG21 THR 16 HG21 THR 16 -5.741 3.258 5.580 125 HG22 THR 16 HG22 THR 16 -4.489 3.228 6.828 126 HG23 THR 16 HG23 THR 16 -5.189 1.718 6.227 127 H ILE 17 H ILE 17 -4.169 3.687 1.902 128 HA ILE 17 HA ILE 17 -6.898 4.502 2.164 129 HB ILE 17 HB ILE 17 -5.346 6.313 1.740 130 HG12 ILE 17 HG12 ILE 17 -7.066 5.882 -0.723 131 HG13 ILE 17 HG13 ILE 17 -7.625 6.542 0.804 132 HG21 ILE 17 HG21 ILE 17 -4.640 4.960 -0.848 133 HG22 ILE 17 HG22 ILE 17 -3.597 5.151 0.568 134 HG23 ILE 17 HG23 ILE 17 -4.101 6.567 -0.355 135 HD11 ILE 17 HD11 ILE 17 -7.266 8.299 -0.826 136 HD12 ILE 17 HD12 ILE 17 -5.597 7.798 -1.049 137 HD13 ILE 17 HD13 ILE 17 -6.118 8.460 0.500 138 H PHE 18 H PHE 18 -5.076 3.033 -0.518 139 HA PHE 18 HA PHE 18 -7.504 2.690 -1.968 140 HB2 PHE 18 HB2 PHE 18 -4.754 1.657 -2.620 141 HB3 PHE 18 HB3 PHE 18 -6.154 1.658 -3.695 142 HD1 PHE 18 HD1 PHE 18 -3.214 3.233 -3.198 143 HD2 PHE 18 HD2 PHE 18 -7.335 4.129 -3.586 144 HE1 PHE 18 HE1 PHE 18 -2.630 5.498 -3.936 145 HE2 PHE 18 HE2 PHE 18 -6.771 6.420 -4.347 146 HZ PHE 18 HZ PHE 18 -4.415 7.097 -4.521 147 H GLY 19 H GLY 19 -5.098 0.403 -0.794 148 HA2 GLY 19 HA2 GLY 19 -6.405 -1.971 -1.390 149 HA3 GLY 19 HA3 GLY 19 -5.219 -1.773 -0.106 150 H LEU 20 H LEU 20 -6.429 -0.246 1.679 151 HA LEU 20 HA LEU 20 -8.198 -2.070 2.888 152 HB2 LEU 20 HB2 LEU 20 -6.740 -0.001 3.826 153 HB3 LEU 20 HB3 LEU 20 -8.351 0.695 3.848 154 HG LEU 20 HG LEU 20 -9.004 -1.504 5.031 155 HD11 LEU 20 HD11 LEU 20 -6.077 -1.381 5.632 156 HD12 LEU 20 HD12 LEU 20 -6.886 -2.623 4.672 157 HD13 LEU 20 HD13 LEU 20 -7.244 -2.466 6.400 158 HD21 LEU 20 HD21 LEU 20 -8.529 -0.504 7.207 159 HD22 LEU 20 HD22 LEU 20 -9.165 0.662 6.056 160 HD23 LEU 20 HD23 LEU 20 -7.435 0.656 6.442 161 H ALA 21 H ALA 21 -8.823 0.809 0.875 162 HA ALA 21 HA ALA 21 -11.558 1.020 1.507 163 HB1 ALA 21 HB1 ALA 21 -10.321 2.842 0.414 164 HB2 ALA 21 HB2 ALA 21 -11.720 2.362 -0.557 165 HB3 ALA 21 HB3 ALA 21 -10.101 1.825 -1.004 166 H ALA 22 H ALA 22 -9.733 -1.032 -0.546 167 HA ALA 22 HA ALA 22 -11.884 -2.000 -2.142 168 HB1 ALA 22 HB1 ALA 22 -9.311 -3.395 -1.405 169 HB2 ALA 22 HB2 ALA 22 -9.522 -2.336 -2.797 170 HB3 ALA 22 HB3 ALA 22 -10.403 -3.866 -2.706 171 H TRP 23 H TRP 23 -10.738 -2.752 1.043 172 HA TRP 23 HA TRP 23 -12.540 -5.014 1.081 173 HB2 TRP 23 HB2 TRP 23 -10.134 -4.615 2.388 174 HB3 TRP 23 HB3 TRP 23 -11.338 -4.288 3.611 175 HD1 TRP 23 HD1 TRP 23 -11.649 -6.442 5.031 176 HE1 TRP 23 HE1 TRP 23 -12.055 -8.929 4.497 177 HE3 TRP 23 HE3 TRP 23 -11.221 -6.277 -0.071 178 HZ2 TRP 23 HZ2 TRP 23 -12.200 -10.595 2.211 179 HZ3 TRP 23 HZ3 TRP 23 -11.528 -8.321 -1.353 180 HH2 TRP 23 HH2 TRP 23 -12.008 -10.463 -0.235 181 H ALA 24 H ALA 24 -12.242 -1.861 2.573 182 HA ALA 24 HA ALA 24 -14.594 -2.211 4.142 183 HB1 ALA 24 HB1 ALA 24 -13.125 0.326 3.484 184 HB2 ALA 24 HB2 ALA 24 -12.800 -0.725 4.863 185 HB3 ALA 24 HB3 ALA 24 -14.343 0.126 4.741 186 H LEU 25 H LEU 25 -13.903 -0.218 1.288 187 HA LEU 25 HA LEU 25 -16.662 0.586 1.055 188 HB2 LEU 25 HB2 LEU 25 -14.178 1.377 -0.420 189 HB3 LEU 25 HB3 LEU 25 -15.765 1.843 -0.999 190 HG LEU 25 HG LEU 25 -16.096 3.008 1.215 191 HD11 LEU 25 HD11 LEU 25 -13.146 2.504 1.514 192 HD12 LEU 25 HD12 LEU 25 -14.431 1.844 2.530 193 HD13 LEU 25 HD13 LEU 25 -14.116 3.578 2.523 194 HD21 LEU 25 HD21 LEU 25 -13.824 3.922 -0.525 195 HD22 LEU 25 HD22 LEU 25 -14.731 4.941 0.589 196 HD23 LEU 25 HD23 LEU 25 -15.539 4.214 -0.804 197 H LEU 26 H LEU 26 -14.635 -1.766 -0.510 198 HA LEU 26 HA LEU 26 -16.498 -1.906 -2.745 199 HB2 LEU 26 HB2 LEU 26 -14.201 -1.757 -3.377 200 HB3 LEU 26 HB3 LEU 26 -13.774 -3.084 -2.318 201 HG LEU 26 HG LEU 26 -15.200 -4.538 -3.781 202 HD11 LEU 26 HD11 LEU 26 -15.560 -3.795 -6.092 203 HD12 LEU 26 HD12 LEU 26 -15.039 -2.175 -5.626 204 HD13 LEU 26 HD13 LEU 26 -16.500 -2.866 -4.924 205 HD21 LEU 26 HD21 LEU 26 -12.716 -3.278 -4.941 206 HD22 LEU 26 HD22 LEU 26 -13.429 -4.796 -5.489 207 HD23 LEU 26 HD23 LEU 26 -12.793 -4.667 -3.849 208 H ALA 27 H ALA 27 -15.623 -3.590 0.009 209 HA ALA 27 HA ALA 27 -17.012 -5.988 -0.949 210 HB1 ALA 27 HB1 ALA 27 -14.713 -6.400 -0.244 211 HB2 ALA 27 HB2 ALA 27 -15.852 -7.252 0.796 212 HB3 ALA 27 HB3 ALA 27 -15.080 -5.765 1.353 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 11.676 -8.586 -0.667 2 H2 ARG 1 HT2 ARG 1 12.591 -9.348 -1.859 3 H3 ARG 1 HT3 ARG 1 11.094 -9.952 -1.453 4 HA ARG 1 HA ARG 1 11.070 -8.711 -3.558 5 HB2 ARG 1 HB2 ARG 1 9.645 -7.162 -1.374 6 HB3 ARG 1 HB3 ARG 1 9.248 -7.176 -3.071 7 HG2 ARG 1 HG2 ARG 1 9.001 -9.513 -1.209 8 HG3 ARG 1 HG3 ARG 1 7.675 -8.487 -1.751 9 HD2 ARG 1 HD2 ARG 1 8.284 -9.180 -4.107 10 HD3 ARG 1 HD3 ARG 1 9.368 -10.360 -3.373 11 HE ARG 1 HE ARG 1 6.450 -10.308 -3.012 12 HH11 ARG 1 HH11 ARG 1 9.455 -12.215 -3.164 13 HH12 ARG 1 HH12 ARG 1 8.661 -13.699 -2.995 14 HH21 ARG 1 HH21 ARG 1 5.385 -12.347 -2.885 15 HH22 ARG 1 HH22 ARG 1 6.278 -13.782 -2.901 16 H ASN 2 H ASN 2 13.421 -7.765 -1.663 17 HA ASN 2 HA ASN 2 14.915 -6.145 -1.535 18 HB2 ASN 2 HB2 ASN 2 14.772 -5.814 -4.004 19 HB3 ASN 2 HB3 ASN 2 13.402 -4.741 -3.783 20 HD21 ASN 2 HD21 ASN 2 16.795 -5.098 -3.489 21 HD22 ASN 2 HD22 ASN 2 17.181 -3.441 -3.230 22 H LYS 3 H LYS 3 14.794 -5.260 0.374 23 HA LYS 3 HA LYS 3 12.399 -3.924 1.199 24 HB2 LYS 3 HB2 LYS 3 13.801 -5.317 2.769 25 HB3 LYS 3 HB3 LYS 3 14.995 -4.018 2.746 26 HG2 LYS 3 HG2 LYS 3 12.706 -2.661 3.298 27 HG3 LYS 3 HG3 LYS 3 12.395 -4.190 4.099 28 HD2 LYS 3 HD2 LYS 3 13.401 -2.716 5.685 29 HD3 LYS 3 HD3 LYS 3 14.597 -3.953 5.272 30 HE2 LYS 3 HE2 LYS 3 15.763 -2.439 3.842 31 HE3 LYS 3 HE3 LYS 3 14.488 -1.239 3.940 32 HZ1 LYS 3 HZ1 LYS 3 16.239 -2.100 6.185 33 HZ2 LYS 3 HZ2 LYS 3 15.007 -0.960 6.284 34 HZ3 LYS 3 HZ3 LYS 3 16.358 -0.641 5.337 35 H LEU 4 H LEU 4 12.165 -2.115 0.146 36 HA LEU 4 HA LEU 4 14.118 -0.009 0.701 37 HB2 LEU 4 HB2 LEU 4 14.265 -0.798 -1.601 38 HB3 LEU 4 HB3 LEU 4 12.569 -0.429 -1.871 39 HG LEU 4 HG LEU 4 13.212 2.000 -1.363 40 HD11 LEU 4 HD11 LEU 4 15.366 1.505 -0.301 41 HD12 LEU 4 HD12 LEU 4 15.549 2.595 -1.676 42 HD13 LEU 4 HD13 LEU 4 15.969 0.892 -1.839 43 HD21 LEU 4 HD21 LEU 4 14.377 0.637 -3.782 44 HD22 LEU 4 HD22 LEU 4 14.051 2.365 -3.648 45 HD23 LEU 4 HD23 LEU 4 12.721 1.210 -3.614 46 H ALA 5 H ALA 5 13.137 1.947 1.216 47 HA ALA 5 HA ALA 5 10.620 1.859 2.419 48 HB1 ALA 5 HB1 ALA 5 12.183 4.285 1.535 49 HB2 ALA 5 HB2 ALA 5 12.371 3.448 3.077 50 HB3 ALA 5 HB3 ALA 5 10.860 4.270 2.701 51 H TYR 6 H TYR 6 11.593 2.824 -0.718 52 HA TYR 6 HA TYR 6 9.033 3.913 -1.395 53 HB2 TYR 6 HB2 TYR 6 11.388 3.253 -3.138 54 HB3 TYR 6 HB3 TYR 6 9.920 4.034 -3.725 55 HD1 TYR 6 HD1 TYR 6 9.328 6.313 -2.978 56 HD2 TYR 6 HD2 TYR 6 13.010 4.485 -1.871 57 HE1 TYR 6 HE1 TYR 6 10.208 8.503 -2.304 58 HE2 TYR 6 HE2 TYR 6 13.897 6.674 -1.185 59 HH TYR 6 HH TYR 6 13.470 9.043 -1.715 60 H ASN 7 H ASN 7 10.477 0.800 -1.607 61 HA ASN 7 HA ASN 7 8.491 -0.199 -3.452 62 HB2 ASN 7 HB2 ASN 7 10.430 -1.754 -1.712 63 HB3 ASN 7 HB3 ASN 7 9.330 -2.477 -2.868 64 HD21 ASN 7 HD21 ASN 7 12.140 -2.740 -2.795 65 HD22 ASN 7 HD22 ASN 7 12.780 -2.049 -4.222 66 H MET 8 H MET 8 9.236 -0.872 -0.089 67 HA MET 8 HA MET 8 6.677 -2.097 0.226 68 HB2 MET 8 HB2 MET 8 8.769 -1.569 2.327 69 HB3 MET 8 HB3 MET 8 7.311 -2.511 2.557 70 HG2 MET 8 HG2 MET 8 9.691 -3.177 0.837 71 HG3 MET 8 HG3 MET 8 9.079 -4.051 2.234 72 HE1 MET 8 HE1 MET 8 6.557 -5.270 2.165 73 HE2 MET 8 HE2 MET 8 5.655 -5.428 0.652 74 HE3 MET 8 HE3 MET 8 5.842 -3.849 1.392 75 H GLY 9 H GLY 9 8.182 0.690 1.831 76 HA2 GLY 9 HA2 GLY 9 5.902 1.354 3.355 77 HA3 GLY 9 HA3 GLY 9 7.270 2.406 3.058 78 H HIS 10 H HIS 10 7.105 2.741 0.328 79 HA HIS 10 HA HIS 10 5.116 4.772 0.131 80 HB2 HIS 10 HB2 HIS 10 7.261 4.783 -1.091 81 HB3 HIS 10 HB3 HIS 10 6.691 3.449 -2.092 82 HD1 HIS 10 HD1 HIS 10 4.639 6.484 -1.171 83 HD2 HIS 10 HD2 HIS 10 6.563 4.841 -4.458 84 HE1 HIS 10 HE1 HIS 10 3.986 7.866 -3.071 85 H TYR 11 H TYR 11 5.205 1.463 -1.098 86 HA TYR 11 HA TYR 11 2.650 1.669 -2.325 87 HB2 TYR 11 HB2 TYR 11 4.499 -0.520 -1.731 88 HB3 TYR 11 HB3 TYR 11 2.822 -0.940 -2.047 89 HD1 TYR 11 HD1 TYR 11 5.874 0.488 -3.527 90 HD2 TYR 11 HD2 TYR 11 1.880 -0.744 -4.186 91 HE1 TYR 11 HE1 TYR 11 6.256 0.602 -5.976 92 HE2 TYR 11 HE2 TYR 11 2.216 -0.649 -6.597 93 HH TYR 11 HH TYR 11 3.695 0.496 -8.194 94 H ALA 12 H ALA 12 3.756 0.736 0.844 95 HA ALA 12 HA ALA 12 1.518 -0.596 1.781 96 HB1 ALA 12 HB1 ALA 12 3.637 -0.417 3.009 97 HB2 ALA 12 HB2 ALA 12 2.252 0.007 4.021 98 HB3 ALA 12 HB3 ALA 12 3.277 1.273 3.352 99 H GLY 13 H GLY 13 2.226 2.845 1.948 100 HA2 GLY 13 HA2 GLY 13 -0.159 3.651 3.222 101 HA3 GLY 13 HA3 GLY 13 0.852 4.660 2.201 102 H LYS 14 H LYS 14 0.635 3.180 -0.159 103 HA LYS 14 HA LYS 14 -1.847 4.314 -1.015 104 HB2 LYS 14 HB2 LYS 14 0.484 3.099 -2.430 105 HB3 LYS 14 HB3 LYS 14 -1.038 3.214 -3.285 106 HG2 LYS 14 HG2 LYS 14 0.378 5.090 -3.899 107 HG3 LYS 14 HG3 LYS 14 -0.992 5.681 -2.990 108 HD2 LYS 14 HD2 LYS 14 1.686 5.205 -1.673 109 HD3 LYS 14 HD3 LYS 14 1.344 6.699 -2.537 110 HE2 LYS 14 HE2 LYS 14 -0.577 7.096 -1.040 111 HE3 LYS 14 HE3 LYS 14 -0.197 5.620 -0.170 112 HZ1 LYS 14 HZ1 LYS 14 2.007 6.680 0.403 113 HZ2 LYS 14 HZ2 LYS 14 0.680 7.422 1.045 114 HZ3 LYS 14 HZ3 LYS 14 1.425 8.120 -0.274 115 H ALA 15 H ALA 15 -0.624 1.110 -0.423 116 HA ALA 15 HA ALA 15 -2.789 -0.255 -1.622 117 HB1 ALA 15 HB1 ALA 15 -0.846 -1.241 0.469 118 HB2 ALA 15 HB2 ALA 15 -0.642 -1.358 -1.285 119 HB3 ALA 15 HB3 ALA 15 -1.955 -2.228 -0.483 120 H THR 16 H THR 16 -2.233 1.026 1.573 121 HA THR 16 HA THR 16 -4.484 -0.294 2.674 122 HB THR 16 HB THR 16 -3.196 2.236 3.725 123 HG1 THR 16 HG1 THR 16 -2.644 -0.496 4.398 124 HG21 THR 16 HG21 THR 16 -5.361 1.642 4.741 125 HG22 THR 16 HG22 THR 16 -4.041 1.425 5.899 126 HG23 THR 16 HG23 THR 16 -4.745 0.026 5.078 127 H ILE 17 H ILE 17 -4.016 2.873 1.143 128 HA ILE 17 HA ILE 17 -6.760 3.452 1.685 129 HB ILE 17 HB ILE 17 -5.349 5.389 1.591 130 HG12 ILE 17 HG12 ILE 17 -7.159 5.397 -0.837 131 HG13 ILE 17 HG13 ILE 17 -7.688 5.643 0.818 132 HG21 ILE 17 HG21 ILE 17 -4.223 6.168 -0.446 133 HG22 ILE 17 HG22 ILE 17 -4.698 4.675 -1.262 134 HG23 ILE 17 HG23 ILE 17 -3.608 4.617 0.126 135 HD11 ILE 17 HD11 ILE 17 -7.543 7.740 -0.379 136 HD12 ILE 17 HD12 ILE 17 -5.847 7.437 -0.753 137 HD13 ILE 17 HD13 ILE 17 -6.353 7.697 0.921 138 H PHE 18 H PHE 18 -5.032 2.659 -1.328 139 HA PHE 18 HA PHE 18 -7.505 2.557 -2.762 140 HB2 PHE 18 HB2 PHE 18 -4.715 1.872 -3.651 141 HB3 PHE 18 HB3 PHE 18 -6.117 1.964 -4.710 142 HD1 PHE 18 HD1 PHE 18 -7.524 4.271 -4.022 143 HD2 PHE 18 HD2 PHE 18 -3.325 3.660 -3.951 144 HE1 PHE 18 HE1 PHE 18 -7.174 6.699 -4.318 145 HE2 PHE 18 HE2 PHE 18 -2.959 6.074 -4.238 146 HZ PHE 18 HZ PHE 18 -4.885 7.596 -4.418 147 H GLY 19 H GLY 19 -5.053 0.143 -1.982 148 HA2 GLY 19 HA2 GLY 19 -6.364 -2.067 -3.114 149 HA3 GLY 19 HA3 GLY 19 -5.135 -2.125 -1.848 150 H LEU 20 H LEU 20 -6.148 -1.082 0.255 151 HA LEU 20 HA LEU 20 -7.852 -3.031 1.267 152 HB2 LEU 20 HB2 LEU 20 -6.342 -1.143 2.369 153 HB3 LEU 20 HB3 LEU 20 -7.915 -0.390 2.556 154 HG LEU 20 HG LEU 20 -8.640 -2.576 3.586 155 HD11 LEU 20 HD11 LEU 20 -6.836 -3.910 4.590 156 HD12 LEU 20 HD12 LEU 20 -5.663 -2.850 3.795 157 HD13 LEU 20 HD13 LEU 20 -6.705 -3.871 2.820 158 HD21 LEU 20 HD21 LEU 20 -6.619 -0.837 5.009 159 HD22 LEU 20 HD22 LEU 20 -7.774 -1.916 5.786 160 HD23 LEU 20 HD23 LEU 20 -8.350 -0.526 4.866 161 H ALA 21 H ALA 21 -8.635 0.081 -0.251 162 HA ALA 21 HA ALA 21 -11.260 0.372 0.487 163 HB1 ALA 21 HB1 ALA 21 -10.099 0.962 -2.227 164 HB2 ALA 21 HB2 ALA 21 -10.000 2.024 -0.819 165 HB3 ALA 21 HB3 ALA 21 -11.570 1.657 -1.540 166 H ALA 22 H ALA 22 -9.926 -2.058 -1.615 167 HA ALA 22 HA ALA 22 -12.344 -2.677 -2.966 168 HB1 ALA 22 HB1 ALA 22 -11.295 -4.778 -3.553 169 HB2 ALA 22 HB2 ALA 22 -10.017 -4.500 -2.375 170 HB3 ALA 22 HB3 ALA 22 -10.155 -3.453 -3.798 171 H TRP 23 H TRP 23 -10.949 -3.663 0.073 172 HA TRP 23 HA TRP 23 -13.129 -5.523 0.482 173 HB2 TRP 23 HB2 TRP 23 -10.478 -5.526 1.262 174 HB3 TRP 23 HB3 TRP 23 -11.365 -5.176 2.741 175 HD1 TRP 23 HD1 TRP 23 -11.847 -7.385 3.992 176 HE1 TRP 23 HE1 TRP 23 -12.523 -9.772 3.329 177 HE3 TRP 23 HE3 TRP 23 -11.869 -6.796 -1.066 178 HZ2 TRP 23 HZ2 TRP 23 -13.027 -11.223 0.906 179 HZ3 TRP 23 HZ3 TRP 23 -12.461 -8.670 -2.486 180 HH2 TRP 23 HH2 TRP 23 -13.031 -10.862 -1.529 181 H ALA 24 H ALA 24 -11.949 -2.503 1.678 182 HA ALA 24 HA ALA 24 -13.874 -2.286 3.759 183 HB1 ALA 24 HB1 ALA 24 -11.706 -1.179 3.869 184 HB2 ALA 24 HB2 ALA 24 -13.033 -0.033 4.054 185 HB3 ALA 24 HB3 ALA 24 -12.171 -0.144 2.519 186 H LEU 25 H LEU 25 -13.481 -0.504 0.729 187 HA LEU 25 HA LEU 25 -16.010 0.837 1.022 188 HB2 LEU 25 HB2 LEU 25 -13.883 1.883 0.193 189 HB3 LEU 25 HB3 LEU 25 -14.035 0.911 -1.221 190 HG LEU 25 HG LEU 25 -16.150 2.003 -1.843 191 HD11 LEU 25 HD11 LEU 25 -15.616 3.783 0.533 192 HD12 LEU 25 HD12 LEU 25 -16.969 2.661 0.339 193 HD13 LEU 25 HD13 LEU 25 -16.831 4.067 -0.709 194 HD21 LEU 25 HD21 LEU 25 -13.855 3.903 -1.366 195 HD22 LEU 25 HD22 LEU 25 -15.176 4.162 -2.504 196 HD23 LEU 25 HD23 LEU 25 -14.043 2.840 -2.758 197 H LEU 26 H LEU 26 -14.583 -1.539 -1.189 198 HA LEU 26 HA LEU 26 -16.834 -1.514 -2.963 199 HB2 LEU 26 HB2 LEU 26 -14.608 -1.682 -3.844 200 HB3 LEU 26 HB3 LEU 26 -14.293 -3.110 -2.884 201 HG LEU 26 HG LEU 26 -16.099 -4.232 -4.214 202 HD11 LEU 26 HD11 LEU 26 -16.557 -3.334 -6.452 203 HD12 LEU 26 HD12 LEU 26 -15.707 -1.846 -6.010 204 HD13 LEU 26 HD13 LEU 26 -17.181 -2.307 -5.160 205 HD21 LEU 26 HD21 LEU 26 -14.566 -4.744 -6.071 206 HD22 LEU 26 HD22 LEU 26 -13.761 -4.744 -4.512 207 HD23 LEU 26 HD23 LEU 26 -13.567 -3.366 -5.602 208 H ALA 27 H ALA 27 -15.998 -3.238 -0.250 209 HA ALA 27 HA ALA 27 -17.805 -5.424 -1.018 210 HB1 ALA 27 HB1 ALA 27 -15.819 -5.419 1.257 211 HB2 ALA 27 HB2 ALA 27 -15.551 -6.145 -0.321 212 HB3 ALA 27 HB3 ALA 27 -16.805 -6.785 0.738 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 13.597 -10.964 -3.852 2 H2 ARG 1 HT2 ARG 1 13.617 -9.486 -4.695 3 H3 ARG 1 HT3 ARG 1 12.429 -9.792 -3.571 4 HA ARG 1 HA ARG 1 13.952 -9.714 -1.764 5 HB2 ARG 1 HB2 ARG 1 16.023 -9.195 -3.914 6 HB3 ARG 1 HB3 ARG 1 16.295 -9.025 -2.194 7 HG2 ARG 1 HG2 ARG 1 15.688 -11.581 -3.661 8 HG3 ARG 1 HG3 ARG 1 17.253 -11.069 -3.055 9 HD2 ARG 1 HD2 ARG 1 16.389 -11.088 -0.775 10 HD3 ARG 1 HD3 ARG 1 14.818 -11.617 -1.376 11 HE ARG 1 HE ARG 1 17.059 -13.281 -2.115 12 HH11 ARG 1 HH11 ARG 1 14.582 -12.769 0.365 13 HH12 ARG 1 HH12 ARG 1 14.475 -14.404 0.779 14 HH21 ARG 1 HH21 ARG 1 16.939 -15.485 -1.509 15 HH22 ARG 1 HH22 ARG 1 15.890 -15.995 -0.268 16 H ASN 2 H ASN 2 15.032 -7.714 -1.046 17 HA ASN 2 HA ASN 2 15.404 -5.560 -0.852 18 HB2 ASN 2 HB2 ASN 2 14.696 -5.354 -3.770 19 HB3 ASN 2 HB3 ASN 2 15.203 -3.979 -2.799 20 HD21 ASN 2 HD21 ASN 2 17.274 -3.932 -2.022 21 HD22 ASN 2 HD22 ASN 2 18.563 -4.857 -2.698 22 H LYS 3 H LYS 3 14.475 -3.526 -0.591 23 HA LYS 3 HA LYS 3 11.644 -3.182 -0.914 24 HB2 LYS 3 HB2 LYS 3 11.269 -2.680 1.452 25 HB3 LYS 3 HB3 LYS 3 11.739 -4.360 1.239 26 HG2 LYS 3 HG2 LYS 3 13.842 -4.031 2.080 27 HG3 LYS 3 HG3 LYS 3 13.741 -2.288 1.764 28 HD2 LYS 3 HD2 LYS 3 12.033 -3.687 3.823 29 HD3 LYS 3 HD3 LYS 3 13.602 -2.982 4.223 30 HE2 LYS 3 HE2 LYS 3 12.809 -0.796 3.392 31 HE3 LYS 3 HE3 LYS 3 11.241 -1.492 3.044 32 HZ1 LYS 3 HZ1 LYS 3 11.265 -0.291 5.121 33 HZ2 LYS 3 HZ2 LYS 3 12.452 -1.277 5.752 34 HZ3 LYS 3 HZ3 LYS 3 10.923 -1.901 5.385 35 H LEU 4 H LEU 4 11.226 -0.928 0.285 36 HA LEU 4 HA LEU 4 13.350 0.920 0.425 37 HB2 LEU 4 HB2 LEU 4 13.167 0.429 -2.057 38 HB3 LEU 4 HB3 LEU 4 11.549 1.098 -2.008 39 HG LEU 4 HG LEU 4 12.603 3.278 -1.242 40 HD11 LEU 4 HD11 LEU 4 14.722 2.368 -0.440 41 HD12 LEU 4 HD12 LEU 4 14.976 3.583 -1.698 42 HD13 LEU 4 HD13 LEU 4 15.133 1.873 -2.081 43 HD21 LEU 4 HD21 LEU 4 11.872 2.924 -3.535 44 HD22 LEU 4 HD22 LEU 4 13.433 2.208 -3.936 45 HD23 LEU 4 HD23 LEU 4 13.333 3.908 -3.483 46 H ALA 5 H ALA 5 12.339 3.060 0.785 47 HA ALA 5 HA ALA 5 10.066 2.955 2.381 48 HB1 ALA 5 HB1 ALA 5 11.775 4.704 2.501 49 HB2 ALA 5 HB2 ALA 5 10.159 5.397 2.322 50 HB3 ALA 5 HB3 ALA 5 11.249 5.299 0.931 51 H TYR 6 H TYR 6 10.453 3.628 -0.969 52 HA TYR 6 HA TYR 6 7.700 4.346 -1.363 53 HB2 TYR 6 HB2 TYR 6 9.861 3.724 -3.348 54 HB3 TYR 6 HB3 TYR 6 8.240 4.216 -3.816 55 HD1 TYR 6 HD1 TYR 6 11.403 5.310 -2.332 56 HD2 TYR 6 HD2 TYR 6 7.484 6.473 -3.484 57 HE1 TYR 6 HE1 TYR 6 12.043 7.666 -2.123 58 HE2 TYR 6 HE2 TYR 6 8.099 8.820 -3.280 59 HH TYR 6 HH TYR 6 11.358 9.782 -2.977 60 H ASN 7 H ASN 7 9.501 1.503 -1.334 61 HA ASN 7 HA ASN 7 7.655 -0.109 -2.849 62 HB2 ASN 7 HB2 ASN 7 10.026 -0.722 -2.750 63 HB3 ASN 7 HB3 ASN 7 9.924 -0.899 -1.006 64 HD21 ASN 7 HD21 ASN 7 9.301 -2.316 -4.047 65 HD22 ASN 7 HD22 ASN 7 8.775 -3.863 -3.489 66 H MET 8 H MET 8 8.671 -0.108 0.526 67 HA MET 8 HA MET 8 6.315 -1.529 1.185 68 HB2 MET 8 HB2 MET 8 8.637 -0.690 2.819 69 HB3 MET 8 HB3 MET 8 7.196 -1.351 3.587 70 HG2 MET 8 HG2 MET 8 8.739 -2.778 1.428 71 HG3 MET 8 HG3 MET 8 9.122 -2.925 3.132 72 HE1 MET 8 HE1 MET 8 5.273 -3.057 1.386 73 HE2 MET 8 HE2 MET 8 5.383 -4.771 1.040 74 HE3 MET 8 HE3 MET 8 6.521 -3.654 0.291 75 H GLY 9 H GLY 9 7.508 1.627 2.330 76 HA2 GLY 9 HA2 GLY 9 5.226 2.117 3.902 77 HA3 GLY 9 HA3 GLY 9 6.425 3.303 3.415 78 H HIS 10 H HIS 10 6.126 3.305 0.706 79 HA HIS 10 HA HIS 10 3.828 4.995 0.382 80 HB2 HIS 10 HB2 HIS 10 5.995 5.128 -0.894 81 HB3 HIS 10 HB3 HIS 10 5.456 3.721 -1.814 82 HD1 HIS 10 HD1 HIS 10 3.854 7.041 -0.842 83 HD2 HIS 10 HD2 HIS 10 4.482 4.602 -4.130 84 HE1 HIS 10 HE1 HIS 10 2.744 8.177 -2.727 85 H TYR 11 H TYR 11 4.437 1.619 -0.553 86 HA TYR 11 HA TYR 11 1.871 1.356 -1.705 87 HB2 TYR 11 HB2 TYR 11 4.035 -0.530 -1.058 88 HB3 TYR 11 HB3 TYR 11 2.414 -1.189 -1.257 89 HD1 TYR 11 HD1 TYR 11 1.270 -1.022 -3.371 90 HD2 TYR 11 HD2 TYR 11 5.262 0.336 -2.941 91 HE1 TYR 11 HE1 TYR 11 1.498 -1.041 -5.773 92 HE2 TYR 11 HE2 TYR 11 5.528 0.337 -5.389 93 HH TYR 11 HH TYR 11 4.501 -0.869 -7.285 94 H ALA 12 H ALA 12 3.085 0.806 1.541 95 HA ALA 12 HA ALA 12 0.899 -0.613 2.515 96 HB1 ALA 12 HB1 ALA 12 2.603 1.386 3.985 97 HB2 ALA 12 HB2 ALA 12 2.986 -0.317 3.757 98 HB3 ALA 12 HB3 ALA 12 1.586 0.151 4.731 99 H GLY 13 H GLY 13 1.478 2.847 2.349 100 HA2 GLY 13 HA2 GLY 13 -1.033 3.577 3.472 101 HA3 GLY 13 HA3 GLY 13 0.010 4.641 2.542 102 H LYS 14 H LYS 14 0.147 3.185 0.175 103 HA LYS 14 HA LYS 14 -2.124 4.005 -1.227 104 HB2 LYS 14 HB2 LYS 14 0.377 2.764 -1.793 105 HB3 LYS 14 HB3 LYS 14 -0.887 1.916 -2.674 106 HG2 LYS 14 HG2 LYS 14 0.150 3.692 -3.986 107 HG3 LYS 14 HG3 LYS 14 -1.567 3.977 -3.731 108 HD2 LYS 14 HD2 LYS 14 -1.026 5.599 -1.966 109 HD3 LYS 14 HD3 LYS 14 0.698 5.254 -2.190 110 HE2 LYS 14 HE2 LYS 14 0.662 6.123 -4.388 111 HE3 LYS 14 HE3 LYS 14 -1.103 6.289 -4.371 112 HZ1 LYS 14 HZ1 LYS 14 -0.837 7.957 -2.648 113 HZ2 LYS 14 HZ2 LYS 14 0.000 8.395 -4.036 114 HZ3 LYS 14 HZ3 LYS 14 0.835 7.791 -2.713 115 H ALA 15 H ALA 15 -1.247 0.823 -0.024 116 HA ALA 15 HA ALA 15 -3.526 -0.475 -1.110 117 HB1 ALA 15 HB1 ALA 15 -1.487 -1.707 -0.549 118 HB2 ALA 15 HB2 ALA 15 -2.905 -2.370 0.278 119 HB3 ALA 15 HB3 ALA 15 -1.751 -1.372 1.167 120 H THR 16 H THR 16 -2.957 1.295 1.783 121 HA THR 16 HA THR 16 -5.280 0.364 3.125 122 HB THR 16 HB THR 16 -3.705 2.911 3.658 123 HG1 THR 16 HG1 THR 16 -2.351 1.076 3.880 124 HG21 THR 16 HG21 THR 16 -5.535 1.279 5.418 125 HG22 THR 16 HG22 THR 16 -5.941 2.837 4.697 126 HG23 THR 16 HG23 THR 16 -4.661 2.729 5.908 127 H ILE 17 H ILE 17 -4.507 3.147 1.047 128 HA ILE 17 HA ILE 17 -7.195 4.058 1.334 129 HB ILE 17 HB ILE 17 -5.546 5.780 0.959 130 HG12 ILE 17 HG12 ILE 17 -6.541 6.997 -1.002 131 HG13 ILE 17 HG13 ILE 17 -7.407 5.525 -1.402 132 HG21 ILE 17 HG21 ILE 17 -4.952 4.530 -1.692 133 HG22 ILE 17 HG22 ILE 17 -3.884 4.605 -0.292 134 HG23 ILE 17 HG23 ILE 17 -4.339 6.088 -1.138 135 HD11 ILE 17 HD11 ILE 17 -8.589 5.620 0.715 136 HD12 ILE 17 HD12 ILE 17 -8.826 7.101 -0.206 137 HD13 ILE 17 HD13 ILE 17 -7.708 7.080 1.160 138 H PHE 18 H PHE 18 -5.453 2.515 -1.351 139 HA PHE 18 HA PHE 18 -7.893 2.356 -2.821 140 HB2 PHE 18 HB2 PHE 18 -5.180 1.226 -3.459 141 HB3 PHE 18 HB3 PHE 18 -6.576 1.191 -4.538 142 HD1 PHE 18 HD1 PHE 18 -3.658 2.868 -3.915 143 HD2 PHE 18 HD2 PHE 18 -7.770 3.617 -4.629 144 HE1 PHE 18 HE1 PHE 18 -3.107 5.139 -4.699 145 HE2 PHE 18 HE2 PHE 18 -7.230 5.877 -5.428 146 HZ PHE 18 HZ PHE 18 -4.896 6.638 -5.458 147 H GLY 19 H GLY 19 -5.694 -0.229 -1.695 148 HA2 GLY 19 HA2 GLY 19 -7.346 -2.358 -2.339 149 HA3 GLY 19 HA3 GLY 19 -6.091 -2.392 -1.104 150 H LEU 20 H LEU 20 -6.983 -0.763 0.792 151 HA LEU 20 HA LEU 20 -9.048 -2.232 1.983 152 HB2 LEU 20 HB2 LEU 20 -7.490 0.057 2.765 153 HB3 LEU 20 HB3 LEU 20 -9.143 0.103 3.374 154 HG LEU 20 HG LEU 20 -8.761 -2.218 4.155 155 HD11 LEU 20 HD11 LEU 20 -6.452 -2.931 4.602 156 HD12 LEU 20 HD12 LEU 20 -5.854 -1.495 3.793 157 HD13 LEU 20 HD13 LEU 20 -6.729 -2.718 2.870 158 HD21 LEU 20 HD21 LEU 20 -7.212 0.027 5.391 159 HD22 LEU 20 HD22 LEU 20 -7.642 -1.484 6.220 160 HD23 LEU 20 HD23 LEU 20 -8.908 -0.390 5.642 161 H ALA 21 H ALA 21 -9.290 0.642 0.055 162 HA ALA 21 HA ALA 21 -11.962 1.272 0.695 163 HB1 ALA 21 HB1 ALA 21 -10.558 2.780 -0.631 164 HB2 ALA 21 HB2 ALA 21 -12.073 2.419 -1.457 165 HB3 ALA 21 HB3 ALA 21 -10.578 1.621 -1.957 166 H ALA 22 H ALA 22 -10.586 -1.162 -1.358 167 HA ALA 22 HA ALA 22 -13.076 -1.887 -2.592 168 HB1 ALA 22 HB1 ALA 22 -10.545 -3.495 -2.328 169 HB2 ALA 22 HB2 ALA 22 -10.921 -2.403 -3.664 170 HB3 ALA 22 HB3 ALA 22 -11.902 -3.850 -3.395 171 H TRP 23 H TRP 23 -11.469 -2.777 0.330 172 HA TRP 23 HA TRP 23 -13.402 -4.903 0.665 173 HB2 TRP 23 HB2 TRP 23 -10.818 -4.768 1.465 174 HB3 TRP 23 HB3 TRP 23 -11.650 -4.198 2.899 175 HD1 TRP 23 HD1 TRP 23 -11.783 -6.174 4.536 176 HE1 TRP 23 HE1 TRP 23 -12.623 -8.588 4.395 177 HE3 TRP 23 HE3 TRP 23 -12.693 -6.419 -0.498 178 HZ2 TRP 23 HZ2 TRP 23 -13.551 -10.378 2.404 179 HZ3 TRP 23 HZ3 TRP 23 -13.555 -8.466 -1.442 180 HH2 TRP 23 HH2 TRP 23 -13.982 -10.444 -0.022 181 H ALA 24 H ALA 24 -12.612 -1.830 2.173 182 HA ALA 24 HA ALA 24 -14.759 -1.990 4.043 183 HB1 ALA 24 HB1 ALA 24 -13.148 0.392 3.181 184 HB2 ALA 24 HB2 ALA 24 -12.716 -0.735 4.464 185 HB3 ALA 24 HB3 ALA 24 -14.159 0.277 4.628 186 H LEU 25 H LEU 25 -14.275 -0.051 1.114 187 HA LEU 25 HA LEU 25 -16.918 1.027 1.372 188 HB2 LEU 25 HB2 LEU 25 -14.741 1.518 -0.610 189 HB3 LEU 25 HB3 LEU 25 -16.339 2.252 -0.725 190 HG LEU 25 HG LEU 25 -14.302 2.628 1.497 191 HD11 LEU 25 HD11 LEU 25 -13.667 3.758 -0.560 192 HD12 LEU 25 HD12 LEU 25 -14.152 4.927 0.672 193 HD13 LEU 25 HD13 LEU 25 -15.255 4.518 -0.639 194 HD21 LEU 25 HD21 LEU 25 -16.563 2.756 2.394 195 HD22 LEU 25 HD22 LEU 25 -17.020 3.894 1.128 196 HD23 LEU 25 HD23 LEU 25 -15.834 4.361 2.346 197 H LEU 26 H LEU 26 -15.518 -1.537 -0.461 198 HA LEU 26 HA LEU 26 -17.797 -1.497 -2.299 199 HB2 LEU 26 HB2 LEU 26 -15.686 -1.579 -3.408 200 HB3 LEU 26 HB3 LEU 26 -15.149 -2.894 -2.393 201 HG LEU 26 HG LEU 26 -16.996 -4.256 -3.445 202 HD11 LEU 26 HD11 LEU 26 -16.922 -2.058 -5.495 203 HD12 LEU 26 HD12 LEU 26 -18.297 -2.515 -4.479 204 HD13 LEU 26 HD13 LEU 26 -17.692 -3.628 -5.696 205 HD21 LEU 26 HD21 LEU 26 -15.603 -4.775 -5.421 206 HD22 LEU 26 HD22 LEU 26 -14.727 -4.733 -3.906 207 HD23 LEU 26 HD23 LEU 26 -14.597 -3.372 -5.040 208 H ALA 27 H ALA 27 -16.499 -3.241 0.223 209 HA ALA 27 HA ALA 27 -18.252 -5.549 -0.366 210 HB1 ALA 27 HB1 ALA 27 -15.881 -6.108 -0.161 211 HB2 ALA 27 HB2 ALA 27 -16.834 -6.900 1.097 212 HB3 ALA 27 HB3 ALA 27 -15.869 -5.479 1.482 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 16.640 -5.274 -4.035 2 H2 ARG 1 HT2 ARG 1 16.777 -6.915 -3.913 3 H3 ARG 1 HT3 ARG 1 18.055 -5.956 -3.377 4 HA ARG 1 HA ARG 1 16.843 -6.762 -1.492 5 HB2 ARG 1 HB2 ARG 1 15.886 -3.961 -2.151 6 HB3 ARG 1 HB3 ARG 1 15.837 -4.695 -0.563 7 HG2 ARG 1 HG2 ARG 1 18.339 -4.081 -2.122 8 HG3 ARG 1 HG3 ARG 1 17.658 -3.091 -0.831 9 HD2 ARG 1 HD2 ARG 1 17.912 -4.964 0.721 10 HD3 ARG 1 HD3 ARG 1 18.633 -5.930 -0.564 11 HE ARG 1 HE ARG 1 20.046 -3.537 -0.335 12 HH11 ARG 1 HH11 ARG 1 19.552 -6.579 1.421 13 HH12 ARG 1 HH12 ARG 1 21.003 -6.476 2.291 14 HH21 ARG 1 HH21 ARG 1 22.082 -3.418 0.895 15 HH22 ARG 1 HH22 ARG 1 22.452 -4.654 1.997 16 H ASN 2 H ASN 2 14.621 -6.460 -0.412 17 HA ASN 2 HA ASN 2 12.527 -6.993 -2.392 18 HB2 ASN 2 HB2 ASN 2 13.017 -8.249 0.297 19 HB3 ASN 2 HB3 ASN 2 11.425 -8.274 -0.434 20 HD21 ASN 2 HD21 ASN 2 11.062 -9.539 -2.183 21 HD22 ASN 2 HD22 ASN 2 12.170 -10.746 -2.736 22 H LYS 3 H LYS 3 13.297 -5.698 0.706 23 HA LYS 3 HA LYS 3 10.753 -4.264 0.810 24 HB2 LYS 3 HB2 LYS 3 11.486 -5.583 2.771 25 HB3 LYS 3 HB3 LYS 3 12.929 -4.599 2.877 26 HG2 LYS 3 HG2 LYS 3 11.131 -2.647 2.986 27 HG3 LYS 3 HG3 LYS 3 10.111 -3.959 3.583 28 HD2 LYS 3 HD2 LYS 3 11.119 -2.855 5.443 29 HD3 LYS 3 HD3 LYS 3 11.860 -4.447 5.285 30 HE2 LYS 3 HE2 LYS 3 13.766 -3.371 4.047 31 HE3 LYS 3 HE3 LYS 3 12.997 -1.821 4.319 32 HZ1 LYS 3 HZ1 LYS 3 13.962 -3.665 6.420 33 HZ2 LYS 3 HZ2 LYS 3 13.209 -2.193 6.693 34 HZ3 LYS 3 HZ3 LYS 3 14.713 -2.235 5.928 35 H LEU 4 H LEU 4 10.773 -2.021 1.182 36 HA LEU 4 HA LEU 4 13.185 -0.475 1.205 37 HB2 LEU 4 HB2 LEU 4 12.809 -0.931 -1.180 38 HB3 LEU 4 HB3 LEU 4 11.186 -0.263 -1.075 39 HG LEU 4 HG LEU 4 12.322 1.934 -0.415 40 HD11 LEU 4 HD11 LEU 4 14.498 1.010 0.166 41 HD12 LEU 4 HD12 LEU 4 14.610 2.252 -1.077 42 HD13 LEU 4 HD13 LEU 4 14.749 0.555 -1.523 43 HD21 LEU 4 HD21 LEU 4 12.808 2.534 -2.729 44 HD22 LEU 4 HD22 LEU 4 11.330 1.580 -2.598 45 HD23 LEU 4 HD23 LEU 4 12.822 0.827 -3.170 46 H ALA 5 H ALA 5 12.622 1.705 1.759 47 HA ALA 5 HA ALA 5 10.519 2.046 3.552 48 HB1 ALA 5 HB1 ALA 5 12.010 4.167 2.009 49 HB2 ALA 5 HB2 ALA 5 12.546 3.417 3.502 50 HB3 ALA 5 HB3 ALA 5 11.089 4.420 3.498 51 H TYR 6 H TYR 6 10.788 2.993 0.235 52 HA TYR 6 HA TYR 6 8.142 4.040 0.112 53 HB2 TYR 6 HB2 TYR 6 10.130 3.452 -2.072 54 HB3 TYR 6 HB3 TYR 6 8.525 4.096 -2.396 55 HD1 TYR 6 HD1 TYR 6 11.751 4.831 -0.727 56 HD2 TYR 6 HD2 TYR 6 7.996 6.352 -2.004 57 HE1 TYR 6 HE1 TYR 6 12.521 7.112 -0.253 58 HE2 TYR 6 HE2 TYR 6 8.748 8.628 -1.553 59 HH TYR 6 HH TYR 6 12.038 9.353 -0.865 60 H ASN 7 H ASN 7 9.407 0.943 -0.179 61 HA ASN 7 HA ASN 7 7.253 -0.144 -1.747 62 HB2 ASN 7 HB2 ASN 7 9.412 -1.322 -1.715 63 HB3 ASN 7 HB3 ASN 7 9.269 -1.537 0.024 64 HD21 ASN 7 HD21 ASN 7 8.012 -2.502 -3.060 65 HD22 ASN 7 HD22 ASN 7 7.257 -3.969 -2.549 66 H MET 8 H MET 8 8.206 -0.471 1.613 67 HA MET 8 HA MET 8 5.633 -1.484 2.266 68 HB2 MET 8 HB2 MET 8 8.000 -0.895 4.013 69 HB3 MET 8 HB3 MET 8 6.464 -1.453 4.654 70 HG2 MET 8 HG2 MET 8 7.932 -3.009 2.546 71 HG3 MET 8 HG3 MET 8 8.316 -3.155 4.255 72 HE1 MET 8 HE1 MET 8 5.709 -3.743 1.413 73 HE2 MET 8 HE2 MET 8 4.506 -2.985 2.498 74 HE3 MET 8 HE3 MET 8 4.469 -4.705 2.193 75 H GLY 9 H GLY 9 7.311 1.498 3.218 76 HA2 GLY 9 HA2 GLY 9 5.127 2.371 4.828 77 HA3 GLY 9 HA3 GLY 9 6.559 3.290 4.395 78 H HIS 10 H HIS 10 6.341 3.366 1.666 79 HA HIS 10 HA HIS 10 4.436 5.496 1.371 80 HB2 HIS 10 HB2 HIS 10 6.610 5.383 0.189 81 HB3 HIS 10 HB3 HIS 10 5.979 4.048 -0.781 82 HD1 HIS 10 HD1 HIS 10 5.074 7.641 0.024 83 HD2 HIS 10 HD2 HIS 10 4.871 4.875 -3.037 84 HE1 HIS 10 HE1 HIS 10 3.994 8.811 -1.810 85 H TYR 11 H TYR 11 4.506 2.153 0.172 86 HA TYR 11 HA TYR 11 1.979 2.425 -1.059 87 HB2 TYR 11 HB2 TYR 11 3.600 0.016 -0.387 88 HB3 TYR 11 HB3 TYR 11 1.954 -0.155 -0.984 89 HD1 TYR 11 HD1 TYR 11 1.364 0.643 -3.220 90 HD2 TYR 11 HD2 TYR 11 5.370 0.621 -1.865 91 HE1 TYR 11 HE1 TYR 11 2.123 0.869 -5.538 92 HE2 TYR 11 HE2 TYR 11 6.171 0.849 -4.199 93 HH TYR 11 HH TYR 11 5.327 0.376 -6.459 94 H ALA 12 H ALA 12 2.920 1.643 2.209 95 HA ALA 12 HA ALA 12 0.526 0.542 3.087 96 HB1 ALA 12 HB1 ALA 12 2.520 0.691 4.503 97 HB2 ALA 12 HB2 ALA 12 1.104 1.366 5.316 98 HB3 ALA 12 HB3 ALA 12 2.315 2.439 4.599 99 H GLY 13 H GLY 13 1.429 3.909 2.709 100 HA2 GLY 13 HA2 GLY 13 -1.062 4.926 3.676 101 HA3 GLY 13 HA3 GLY 13 0.135 5.835 2.763 102 H LYS 14 H LYS 14 0.249 4.346 0.458 103 HA LYS 14 HA LYS 14 -2.047 5.445 -0.793 104 HB2 LYS 14 HB2 LYS 14 0.410 4.133 -1.852 105 HB3 LYS 14 HB3 LYS 14 -0.983 4.302 -2.910 106 HG2 LYS 14 HG2 LYS 14 0.606 6.172 -3.170 107 HG3 LYS 14 HG3 LYS 14 -0.975 6.713 -2.615 108 HD2 LYS 14 HD2 LYS 14 -0.040 6.729 -0.277 109 HD3 LYS 14 HD3 LYS 14 1.532 6.387 -0.981 110 HE2 LYS 14 HE2 LYS 14 1.453 8.453 -2.258 111 HE3 LYS 14 HE3 LYS 14 -0.171 8.776 -1.658 112 HZ1 LYS 14 HZ1 LYS 14 1.477 10.030 -0.398 113 HZ2 LYS 14 HZ2 LYS 14 2.292 8.628 -0.011 114 HZ3 LYS 14 HZ3 LYS 14 0.755 8.886 0.601 115 H ALA 15 H ALA 15 -1.186 2.215 0.102 116 HA ALA 15 HA ALA 15 -3.299 1.055 -1.408 117 HB1 ALA 15 HB1 ALA 15 -1.805 -0.108 0.944 118 HB2 ALA 15 HB2 ALA 15 -1.364 -0.307 -0.757 119 HB3 ALA 15 HB3 ALA 15 -2.869 -0.989 -0.149 120 H THR 16 H THR 16 -3.029 2.488 1.732 121 HA THR 16 HA THR 16 -5.514 1.395 2.576 122 HB THR 16 HB THR 16 -4.056 3.744 3.811 123 HG1 THR 16 HG1 THR 16 -2.679 2.010 3.989 124 HG21 THR 16 HG21 THR 16 -5.324 3.108 5.821 125 HG22 THR 16 HG22 THR 16 -6.077 1.791 4.911 126 HG23 THR 16 HG23 THR 16 -6.420 3.461 4.475 127 H ILE 17 H ILE 17 -4.498 4.456 1.117 128 HA ILE 17 HA ILE 17 -7.198 5.377 1.269 129 HB ILE 17 HB ILE 17 -5.447 7.052 1.337 130 HG12 ILE 17 HG12 ILE 17 -6.255 8.645 -0.422 131 HG13 ILE 17 HG13 ILE 17 -7.163 7.312 -1.127 132 HG21 ILE 17 HG21 ILE 17 -3.744 6.070 0.006 133 HG22 ILE 17 HG22 ILE 17 -4.105 7.687 -0.610 134 HG23 ILE 17 HG23 ILE 17 -4.706 6.261 -1.463 135 HD11 ILE 17 HD11 ILE 17 -8.565 8.735 0.265 136 HD12 ILE 17 HD12 ILE 17 -7.513 8.436 1.644 137 HD13 ILE 17 HD13 ILE 17 -8.451 7.114 0.949 138 H PHE 18 H PHE 18 -5.193 4.267 -1.478 139 HA PHE 18 HA PHE 18 -7.483 4.322 -3.187 140 HB2 PHE 18 HB2 PHE 18 -4.703 3.322 -3.728 141 HB3 PHE 18 HB3 PHE 18 -5.988 3.484 -4.924 142 HD1 PHE 18 HD1 PHE 18 -7.182 5.905 -4.638 143 HD2 PHE 18 HD2 PHE 18 -3.131 4.967 -3.863 144 HE1 PHE 18 HE1 PHE 18 -6.568 8.262 -5.071 145 HE2 PHE 18 HE2 PHE 18 -2.484 7.310 -4.279 146 HZ PHE 18 HZ PHE 18 -4.208 8.959 -4.890 147 H GLY 19 H GLY 19 -5.292 1.696 -2.251 148 HA2 GLY 19 HA2 GLY 19 -6.661 -0.435 -3.382 149 HA3 GLY 19 HA3 GLY 19 -5.608 -0.539 -1.973 150 H LEU 20 H LEU 20 -6.888 0.752 -0.084 151 HA LEU 20 HA LEU 20 -8.759 -1.142 0.748 152 HB2 LEU 20 HB2 LEU 20 -7.302 0.624 2.038 153 HB3 LEU 20 HB3 LEU 20 -8.802 1.537 1.989 154 HG LEU 20 HG LEU 20 -9.863 -0.600 2.901 155 HD11 LEU 20 HD11 LEU 20 -8.372 -2.039 4.177 156 HD12 LEU 20 HD12 LEU 20 -7.006 -1.048 3.657 157 HD13 LEU 20 HD13 LEU 20 -7.888 -1.998 2.467 158 HD21 LEU 20 HD21 LEU 20 -9.660 1.455 4.177 159 HD22 LEU 20 HD22 LEU 20 -7.995 1.042 4.603 160 HD23 LEU 20 HD23 LEU 20 -9.333 0.055 5.198 161 H ALA 21 H ALA 21 -9.160 1.969 -0.882 162 HA ALA 21 HA ALA 21 -11.901 2.300 -0.433 163 HB1 ALA 21 HB1 ALA 21 -10.305 3.076 -2.877 164 HB2 ALA 21 HB2 ALA 21 -10.447 4.029 -1.410 165 HB3 ALA 21 HB3 ALA 21 -11.876 3.730 -2.409 166 H ALA 22 H ALA 22 -10.168 0.173 -2.549 167 HA ALA 22 HA ALA 22 -12.423 -0.502 -4.187 168 HB1 ALA 22 HB1 ALA 22 -9.838 -1.983 -3.763 169 HB2 ALA 22 HB2 ALA 22 -10.124 -0.754 -5.002 170 HB3 ALA 22 HB3 ALA 22 -11.013 -2.286 -5.044 171 H TRP 23 H TRP 23 -11.077 -1.626 -1.235 172 HA TRP 23 HA TRP 23 -12.783 -3.958 -1.298 173 HB2 TRP 23 HB2 TRP 23 -10.312 -3.393 -0.141 174 HB3 TRP 23 HB3 TRP 23 -11.418 -3.677 1.200 175 HD1 TRP 23 HD1 TRP 23 -11.222 -6.118 1.868 176 HE1 TRP 23 HE1 TRP 23 -11.057 -8.378 0.647 177 HE3 TRP 23 HE3 TRP 23 -11.160 -4.400 -2.921 178 HZ2 TRP 23 HZ2 TRP 23 -10.951 -9.297 -2.066 179 HZ3 TRP 23 HZ3 TRP 23 -11.067 -5.978 -4.758 180 HH2 TRP 23 HH2 TRP 23 -10.962 -8.394 -4.352 181 H ALA 24 H ALA 24 -12.391 -1.081 0.667 182 HA ALA 24 HA ALA 24 -14.593 -1.754 2.308 183 HB1 ALA 24 HB1 ALA 24 -14.249 0.460 3.305 184 HB2 ALA 24 HB2 ALA 24 -13.126 0.845 1.998 185 HB3 ALA 24 HB3 ALA 24 -12.737 -0.438 3.141 186 H LEU 25 H LEU 25 -14.072 0.758 -0.153 187 HA LEU 25 HA LEU 25 -16.809 1.607 -0.019 188 HB2 LEU 25 HB2 LEU 25 -14.591 2.485 -1.817 189 HB3 LEU 25 HB3 LEU 25 -16.178 3.244 -1.710 190 HG LEU 25 HG LEU 25 -14.044 3.113 0.407 191 HD11 LEU 25 HD11 LEU 25 -15.172 5.438 -1.141 192 HD12 LEU 25 HD12 LEU 25 -13.578 4.722 -1.352 193 HD13 LEU 25 HD13 LEU 25 -13.987 5.543 0.157 194 HD21 LEU 25 HD21 LEU 25 -16.227 2.949 1.451 195 HD22 LEU 25 HD22 LEU 25 -16.782 4.356 0.546 196 HD23 LEU 25 HD23 LEU 25 -15.507 4.528 1.759 197 H LEU 26 H LEU 26 -14.978 -0.418 -2.197 198 HA LEU 26 HA LEU 26 -17.060 -0.206 -4.226 199 HB2 LEU 26 HB2 LEU 26 -14.782 0.204 -4.934 200 HB3 LEU 26 HB3 LEU 26 -14.291 -1.328 -4.255 201 HG LEU 26 HG LEU 26 -15.637 -2.473 -5.944 202 HD11 LEU 26 HD11 LEU 26 -17.235 -0.728 -6.489 203 HD12 LEU 26 HD12 LEU 26 -16.361 -1.218 -7.948 204 HD13 LEU 26 HD13 LEU 26 -15.938 0.280 -7.130 205 HD21 LEU 26 HD21 LEU 26 -13.261 -2.238 -6.251 206 HD22 LEU 26 HD22 LEU 26 -13.465 -0.621 -6.922 207 HD23 LEU 26 HD23 LEU 26 -14.044 -2.020 -7.816 208 H ALA 27 H ALA 27 -15.985 -2.279 -1.849 209 HA ALA 27 HA ALA 27 -17.399 -4.519 -3.116 210 HB1 ALA 27 HB1 ALA 27 -14.979 -4.906 -2.807 211 HB2 ALA 27 HB2 ALA 27 -15.987 -6.061 -1.950 212 HB3 ALA 27 HB3 ALA 27 -15.207 -4.749 -1.063 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 -15.639 -8.371 0.226 2 H2 ARG 1 HT2 ARG 1 -16.314 -8.568 1.727 3 H3 ARG 1 HT3 ARG 1 -15.493 -9.861 1.017 4 HA ARG 1 HA ARG 1 -14.198 -8.788 2.761 5 HB2 ARG 1 HB2 ARG 1 -13.107 -8.186 -0.012 6 HB3 ARG 1 HB3 ARG 1 -12.155 -8.266 1.456 7 HG2 ARG 1 HG2 ARG 1 -12.883 -10.682 1.642 8 HG3 ARG 1 HG3 ARG 1 -13.545 -10.490 0.018 9 HD2 ARG 1 HD2 ARG 1 -11.359 -9.919 -0.848 10 HD3 ARG 1 HD3 ARG 1 -10.673 -9.993 0.774 11 HE ARG 1 HE ARG 1 -11.829 -12.286 -0.639 12 HH11 ARG 1 HH11 ARG 1 -9.213 -10.901 1.368 13 HH12 ARG 1 HH12 ARG 1 -8.497 -12.381 1.717 14 HH21 ARG 1 HH21 ARG 1 -10.750 -14.366 -0.176 15 HH22 ARG 1 HH22 ARG 1 -9.363 -14.356 0.823 16 H ASN 2 H ASN 2 -12.609 -6.742 2.794 17 HA ASN 2 HA ASN 2 -14.333 -4.435 2.735 18 HB2 ASN 2 HB2 ASN 2 -11.403 -4.737 3.484 19 HB3 ASN 2 HB3 ASN 2 -12.297 -3.237 3.598 20 HD21 ASN 2 HD21 ASN 2 -11.721 -6.345 4.978 21 HD22 ASN 2 HD22 ASN 2 -12.545 -6.044 6.470 22 H LYS 3 H LYS 3 -14.618 -3.495 0.770 23 HA LYS 3 HA LYS 3 -12.223 -2.877 -0.756 24 HB2 LYS 3 HB2 LYS 3 -13.304 -4.922 -1.701 25 HB3 LYS 3 HB3 LYS 3 -14.746 -3.944 -1.980 26 HG2 LYS 3 HG2 LYS 3 -13.162 -2.382 -3.272 27 HG3 LYS 3 HG3 LYS 3 -12.057 -3.757 -3.280 28 HD2 LYS 3 HD2 LYS 3 -13.330 -3.754 -5.316 29 HD3 LYS 3 HD3 LYS 3 -13.865 -5.112 -4.321 30 HE2 LYS 3 HE2 LYS 3 -15.792 -3.872 -3.562 31 HE3 LYS 3 HE3 LYS 3 -15.224 -2.421 -4.356 32 HZ1 LYS 3 HZ1 LYS 3 -16.979 -3.530 -5.555 33 HZ2 LYS 3 HZ2 LYS 3 -16.060 -4.916 -5.764 34 HZ3 LYS 3 HZ3 LYS 3 -15.593 -3.457 -6.474 35 H LEU 4 H LEU 4 -12.351 -0.883 -1.695 36 HA LEU 4 HA LEU 4 -14.636 0.656 -2.211 37 HB2 LEU 4 HB2 LEU 4 -14.722 0.501 0.290 38 HB3 LEU 4 HB3 LEU 4 -13.151 1.264 0.379 39 HG LEU 4 HG LEU 4 -14.178 3.278 -0.729 40 HD11 LEU 4 HD11 LEU 4 -16.762 1.811 -0.161 41 HD12 LEU 4 HD12 LEU 4 -16.115 2.197 -1.752 42 HD13 LEU 4 HD13 LEU 4 -16.614 3.490 -0.667 43 HD21 LEU 4 HD21 LEU 4 -13.791 3.146 1.671 44 HD22 LEU 4 HD22 LEU 4 -15.396 2.434 1.891 45 HD23 LEU 4 HD23 LEU 4 -15.232 4.089 1.292 46 H ALA 5 H ALA 5 -13.849 2.863 -2.735 47 HA ALA 5 HA ALA 5 -11.430 2.808 -4.117 48 HB1 ALA 5 HB1 ALA 5 -11.794 5.159 -4.553 49 HB2 ALA 5 HB2 ALA 5 -12.855 5.260 -3.153 50 HB3 ALA 5 HB3 ALA 5 -13.362 4.326 -4.559 51 H TYR 6 H TYR 6 -12.240 3.902 -0.960 52 HA TYR 6 HA TYR 6 -9.591 4.855 -0.431 53 HB2 TYR 6 HB2 TYR 6 -11.988 4.532 1.327 54 HB3 TYR 6 HB3 TYR 6 -10.413 4.987 1.988 55 HD1 TYR 6 HD1 TYR 6 -9.401 7.095 1.411 56 HD2 TYR 6 HD2 TYR 6 -13.258 6.073 -0.018 57 HE1 TYR 6 HE1 TYR 6 -9.764 9.419 0.801 58 HE2 TYR 6 HE2 TYR 6 -13.655 8.418 -0.646 59 HH TYR 6 HH TYR 6 -12.871 10.569 -0.138 60 H ASN 7 H ASN 7 -11.070 1.881 -0.373 61 HA ASN 7 HA ASN 7 -9.256 0.745 1.537 62 HB2 ASN 7 HB2 ASN 7 -11.459 -0.326 1.187 63 HB3 ASN 7 HB3 ASN 7 -11.003 -0.708 -0.466 64 HD21 ASN 7 HD21 ASN 7 -10.615 -1.525 2.847 65 HD22 ASN 7 HD22 ASN 7 -9.655 -2.932 2.627 66 H MET 8 H MET 8 -9.741 0.386 -1.931 67 HA MET 8 HA MET 8 -7.189 -0.862 -2.171 68 HB2 MET 8 HB2 MET 8 -9.226 -0.119 -4.248 69 HB3 MET 8 HB3 MET 8 -7.687 -0.857 -4.655 70 HG2 MET 8 HG2 MET 8 -9.602 -2.146 -2.733 71 HG3 MET 8 HG3 MET 8 -9.769 -2.340 -4.468 72 HE1 MET 8 HE1 MET 8 -7.565 -3.067 -1.281 73 HE2 MET 8 HE2 MET 8 -6.192 -2.475 -2.248 74 HE3 MET 8 HE3 MET 8 -6.355 -4.174 -1.892 75 H GLY 9 H GLY 9 -8.459 2.126 -3.667 76 HA2 GLY 9 HA2 GLY 9 -5.997 2.880 -4.763 77 HA3 GLY 9 HA3 GLY 9 -7.360 3.945 -4.470 78 H HIS 10 H HIS 10 -7.489 3.897 -1.738 79 HA HIS 10 HA HIS 10 -5.424 5.781 -1.043 80 HB2 HIS 10 HB2 HIS 10 -7.717 5.866 -0.141 81 HB3 HIS 10 HB3 HIS 10 -7.405 4.369 0.729 82 HD1 HIS 10 HD1 HIS 10 -5.316 7.548 0.498 83 HD2 HIS 10 HD2 HIS 10 -7.165 5.102 3.287 84 HE1 HIS 10 HE1 HIS 10 -4.626 8.412 2.656 85 H TYR 11 H TYR 11 -5.919 2.364 -0.142 86 HA TYR 11 HA TYR 11 -3.531 2.394 1.401 87 HB2 TYR 11 HB2 TYR 11 -5.366 0.228 0.555 88 HB3 TYR 11 HB3 TYR 11 -3.772 -0.186 1.173 89 HD1 TYR 11 HD1 TYR 11 -3.116 0.579 3.412 90 HD2 TYR 11 HD2 TYR 11 -7.122 0.887 2.044 91 HE1 TYR 11 HE1 TYR 11 -3.822 0.800 5.681 92 HE2 TYR 11 HE2 TYR 11 -7.895 1.119 4.366 93 HH TYR 11 HH TYR 11 -5.773 1.747 6.913 94 H ALA 12 H ALA 12 -4.238 1.522 -1.923 95 HA ALA 12 HA ALA 12 -1.795 0.320 -2.500 96 HB1 ALA 12 HB1 ALA 12 -3.477 2.046 -4.326 97 HB2 ALA 12 HB2 ALA 12 -3.692 0.314 -4.057 98 HB3 ALA 12 HB3 ALA 12 -2.226 0.907 -4.837 99 H GLY 13 H GLY 13 -2.765 3.705 -2.488 100 HA2 GLY 13 HA2 GLY 13 -0.315 4.782 -3.387 101 HA3 GLY 13 HA3 GLY 13 -1.506 5.629 -2.405 102 H LYS 14 H LYS 14 -1.512 4.141 -0.120 103 HA LYS 14 HA LYS 14 0.813 5.182 1.151 104 HB2 LYS 14 HB2 LYS 14 -1.643 3.828 2.074 105 HB3 LYS 14 HB3 LYS 14 -0.239 3.684 3.126 106 HG2 LYS 14 HG2 LYS 14 -1.684 5.568 3.731 107 HG3 LYS 14 HG3 LYS 14 -0.056 6.069 3.299 108 HD2 LYS 14 HD2 LYS 14 -0.939 6.577 0.986 109 HD3 LYS 14 HD3 LYS 14 -2.557 6.294 1.630 110 HE2 LYS 14 HE2 LYS 14 -2.280 8.060 3.239 111 HE3 LYS 14 HE3 LYS 14 -0.616 8.309 2.729 112 HZ1 LYS 14 HZ1 LYS 14 -1.420 8.994 0.557 113 HZ2 LYS 14 HZ2 LYS 14 -2.073 9.938 1.767 114 HZ3 LYS 14 HZ3 LYS 14 -3.019 8.762 1.038 115 H ALA 15 H ALA 15 -0.137 1.943 0.248 116 HA ALA 15 HA ALA 15 2.089 0.792 1.555 117 HB1 ALA 15 HB1 ALA 15 1.506 -1.244 0.401 118 HB2 ALA 15 HB2 ALA 15 0.351 -0.367 -0.615 119 HB3 ALA 15 HB3 ALA 15 0.073 -0.508 1.129 120 H THR 16 H THR 16 1.536 2.062 -1.634 121 HA THR 16 HA THR 16 3.989 1.017 -2.598 122 HB THR 16 HB THR 16 2.337 3.247 -3.835 123 HG1 THR 16 HG1 THR 16 1.119 1.414 -3.767 124 HG21 THR 16 HG21 THR 16 4.408 1.386 -4.979 125 HG22 THR 16 HG22 THR 16 4.662 3.108 -4.669 126 HG23 THR 16 HG23 THR 16 3.510 2.588 -5.907 127 H ILE 17 H ILE 17 3.020 4.126 -1.192 128 HA ILE 17 HA ILE 17 5.644 5.128 -1.685 129 HB ILE 17 HB ILE 17 3.735 6.711 -1.600 130 HG12 ILE 17 HG12 ILE 17 4.787 8.466 -0.183 131 HG13 ILE 17 HG13 ILE 17 5.913 7.251 0.428 132 HG21 ILE 17 HG21 ILE 17 2.775 7.457 0.536 133 HG22 ILE 17 HG22 ILE 17 3.607 6.133 1.340 134 HG23 ILE 17 HG23 ILE 17 2.386 5.793 0.111 135 HD11 ILE 17 HD11 ILE 17 6.918 8.570 -1.339 136 HD12 ILE 17 HD12 ILE 17 5.599 8.154 -2.421 137 HD13 ILE 17 HD13 ILE 17 6.709 6.898 -1.860 138 H PHE 18 H PHE 18 4.020 4.108 1.316 139 HA PHE 18 HA PHE 18 6.499 4.291 2.734 140 HB2 PHE 18 HB2 PHE 18 3.811 3.286 3.620 141 HB3 PHE 18 HB3 PHE 18 5.232 3.418 4.655 142 HD1 PHE 18 HD1 PHE 18 6.428 5.769 4.318 143 HD2 PHE 18 HD2 PHE 18 2.311 4.976 3.825 144 HE1 PHE 18 HE1 PHE 18 5.929 8.146 4.833 145 HE2 PHE 18 HE2 PHE 18 1.771 7.340 4.321 146 HZ PHE 18 HZ PHE 18 3.596 8.924 4.832 147 H GLY 19 H GLY 19 4.334 1.586 2.083 148 HA2 GLY 19 HA2 GLY 19 5.920 -0.427 3.206 149 HA3 GLY 19 HA3 GLY 19 4.696 -0.664 1.964 150 H LEU 20 H LEU 20 5.574 0.406 -0.185 151 HA LEU 20 HA LEU 20 7.520 -1.364 -1.106 152 HB2 LEU 20 HB2 LEU 20 5.758 0.242 -2.324 153 HB3 LEU 20 HB3 LEU 20 7.235 1.148 -2.611 154 HG LEU 20 HG LEU 20 8.174 -1.093 -3.424 155 HD11 LEU 20 HD11 LEU 20 6.531 -2.617 -4.358 156 HD12 LEU 20 HD12 LEU 20 5.249 -1.563 -3.769 157 HD13 LEU 20 HD13 LEU 20 6.277 -2.420 -2.609 158 HD21 LEU 20 HD21 LEU 20 7.817 0.827 -4.848 159 HD22 LEU 20 HD22 LEU 20 6.106 0.398 -5.018 160 HD23 LEU 20 HD23 LEU 20 7.363 -0.658 -5.682 161 H ALA 21 H ALA 21 7.918 1.885 0.292 162 HA ALA 21 HA ALA 21 10.497 2.416 -0.647 163 HB1 ALA 21 HB1 ALA 21 9.105 4.097 0.446 164 HB2 ALA 21 HB2 ALA 21 10.665 3.949 1.254 165 HB3 ALA 21 HB3 ALA 21 9.223 3.226 1.969 166 H ALA 22 H ALA 22 9.342 0.324 1.886 167 HA ALA 22 HA ALA 22 11.865 -0.048 3.137 168 HB1 ALA 22 HB1 ALA 22 9.753 -0.520 4.300 169 HB2 ALA 22 HB2 ALA 22 10.820 -1.921 4.272 170 HB3 ALA 22 HB3 ALA 22 9.438 -1.839 3.172 171 H TRP 23 H TRP 23 10.281 -1.483 0.417 172 HA TRP 23 HA TRP 23 12.310 -3.567 0.336 173 HB2 TRP 23 HB2 TRP 23 9.662 -3.626 -0.403 174 HB3 TRP 23 HB3 TRP 23 10.523 -3.374 -1.918 175 HD1 TRP 23 HD1 TRP 23 10.749 -5.621 -3.078 176 HE1 TRP 23 HE1 TRP 23 11.575 -7.940 -2.413 177 HE3 TRP 23 HE3 TRP 23 11.473 -4.769 1.898 178 HZ2 TRP 23 HZ2 TRP 23 12.467 -9.249 -0.042 179 HZ3 TRP 23 HZ3 TRP 23 12.335 -6.555 3.299 180 HH2 TRP 23 HH2 TRP 23 12.825 -8.796 2.338 181 H ALA 24 H ALA 24 11.303 -0.795 -1.519 182 HA ALA 24 HA ALA 24 13.316 -1.156 -3.513 183 HB1 ALA 24 HB1 ALA 24 12.567 1.019 -4.346 184 HB2 ALA 24 HB2 ALA 24 11.600 1.240 -2.887 185 HB3 ALA 24 HB3 ALA 24 11.204 -0.046 -4.019 186 H LEU 25 H LEU 25 12.864 1.301 -0.999 187 HA LEU 25 HA LEU 25 15.460 2.411 -1.502 188 HB2 LEU 25 HB2 LEU 25 13.305 3.152 0.438 189 HB3 LEU 25 HB3 LEU 25 14.804 4.040 0.218 190 HG LEU 25 HG LEU 25 12.636 3.630 -1.857 191 HD11 LEU 25 HD11 LEU 25 13.412 6.079 -0.287 192 HD12 LEU 25 HD12 LEU 25 11.922 5.161 -0.099 193 HD13 LEU 25 HD13 LEU 25 12.238 6.041 -1.594 194 HD21 LEU 25 HD21 LEU 25 15.179 5.253 -1.989 195 HD22 LEU 25 HD22 LEU 25 13.890 5.271 -3.186 196 HD23 LEU 25 HD23 LEU 25 14.815 3.797 -2.916 197 H LEU 26 H LEU 26 14.124 0.276 0.894 198 HA LEU 26 HA LEU 26 16.321 0.810 2.729 199 HB2 LEU 26 HB2 LEU 26 14.142 0.698 3.721 200 HB3 LEU 26 HB3 LEU 26 13.844 -0.860 2.982 201 HG LEU 26 HG LEU 26 15.760 -1.710 4.359 202 HD11 LEU 26 HD11 LEU 26 16.199 -0.501 6.464 203 HD12 LEU 26 HD12 LEU 26 15.326 0.886 5.798 204 HD13 LEU 26 HD13 LEU 26 16.801 0.313 5.022 205 HD21 LEU 26 HD21 LEU 26 13.209 -0.832 5.706 206 HD22 LEU 26 HD22 LEU 26 14.334 -2.019 6.362 207 HD23 LEU 26 HD23 LEU 26 13.495 -2.351 4.850 208 H ALA 27 H ALA 27 15.347 -1.473 0.502 209 HA ALA 27 HA ALA 27 17.140 -3.500 1.644 210 HB1 ALA 27 HB1 ALA 27 14.972 -3.884 -0.434 211 HB2 ALA 27 HB2 ALA 27 14.801 -4.184 1.281 212 HB3 ALA 27 HB3 ALA 27 15.919 -5.156 0.333 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 -10.122 -9.411 2.534 2 H2 ARG 1 HT2 ARG 1 -11.246 -8.393 3.224 3 H3 ARG 1 HT3 ARG 1 -10.280 -7.868 1.918 4 HA ARG 1 HA ARG 1 -11.244 -9.310 0.432 5 HB2 ARG 1 HB2 ARG 1 -12.937 -10.288 2.727 6 HB3 ARG 1 HB3 ARG 1 -13.178 -10.716 1.040 7 HG2 ARG 1 HG2 ARG 1 -10.861 -11.643 1.023 8 HG3 ARG 1 HG3 ARG 1 -10.812 -11.371 2.767 9 HD2 ARG 1 HD2 ARG 1 -11.400 -13.653 2.270 10 HD3 ARG 1 HD3 ARG 1 -12.753 -12.817 3.042 11 HE ARG 1 HE ARG 1 -13.411 -12.482 0.531 12 HH11 ARG 1 HH11 ARG 1 -12.235 -15.479 2.057 13 HH12 ARG 1 HH12 ARG 1 -12.977 -16.454 0.880 14 HH21 ARG 1 HH21 ARG 1 -14.388 -13.863 -1.005 15 HH22 ARG 1 HH22 ARG 1 -14.220 -15.549 -0.862 16 H ASN 2 H ASN 2 -12.026 -6.809 2.370 17 HA ASN 2 HA ASN 2 -14.512 -6.246 0.989 18 HB2 ASN 2 HB2 ASN 2 -14.743 -4.343 2.575 19 HB3 ASN 2 HB3 ASN 2 -14.561 -5.861 3.433 20 HD21 ASN 2 HD21 ASN 2 -14.097 -3.120 4.303 21 HD22 ASN 2 HD22 ASN 2 -12.458 -3.035 4.809 22 H LYS 3 H LYS 3 -14.711 -4.076 -0.073 23 HA LYS 3 HA LYS 3 -12.094 -3.120 -1.031 24 HB2 LYS 3 HB2 LYS 3 -13.098 -4.832 -2.532 25 HB3 LYS 3 HB3 LYS 3 -14.468 -3.751 -2.739 26 HG2 LYS 3 HG2 LYS 3 -12.647 -2.030 -3.487 27 HG3 LYS 3 HG3 LYS 3 -11.645 -3.468 -3.697 28 HD2 LYS 3 HD2 LYS 3 -12.664 -2.965 -5.802 29 HD3 LYS 3 HD3 LYS 3 -13.447 -4.410 -5.151 30 HE2 LYS 3 HE2 LYS 3 -15.272 -2.992 -4.270 31 HE3 LYS 3 HE3 LYS 3 -14.488 -1.590 -4.963 32 HZ1 LYS 3 HZ1 LYS 3 -15.545 -3.907 -6.474 33 HZ2 LYS 3 HZ2 LYS 3 -14.806 -2.562 -7.163 34 HZ3 LYS 3 HZ3 LYS 3 -16.276 -2.400 -6.353 35 H LEU 4 H LEU 4 -12.046 -0.967 -1.590 36 HA LEU 4 HA LEU 4 -14.190 0.719 -2.170 37 HB2 LEU 4 HB2 LEU 4 -14.561 0.409 0.308 38 HB3 LEU 4 HB3 LEU 4 -12.980 1.103 0.599 39 HG LEU 4 HG LEU 4 -13.777 3.237 -0.443 40 HD11 LEU 4 HD11 LEU 4 -16.448 1.852 -0.450 41 HD12 LEU 4 HD12 LEU 4 -15.531 2.359 -1.873 42 HD13 LEU 4 HD13 LEU 4 -16.187 3.566 -0.769 43 HD21 LEU 4 HD21 LEU 4 -13.832 2.962 1.972 44 HD22 LEU 4 HD22 LEU 4 -15.423 2.215 1.852 45 HD23 LEU 4 HD23 LEU 4 -15.213 3.916 1.425 46 H ALA 5 H ALA 5 -13.296 3.044 -2.245 47 HA ALA 5 HA ALA 5 -11.015 2.888 -3.838 48 HB1 ALA 5 HB1 ALA 5 -12.810 4.577 -4.019 49 HB2 ALA 5 HB2 ALA 5 -11.180 5.247 -4.084 50 HB3 ALA 5 HB3 ALA 5 -12.132 5.383 -2.604 51 H TYR 6 H TYR 6 -11.378 3.932 -0.559 52 HA TYR 6 HA TYR 6 -8.582 4.584 -0.364 53 HB2 TYR 6 HB2 TYR 6 -10.688 4.377 1.764 54 HB3 TYR 6 HB3 TYR 6 -9.017 4.765 2.121 55 HD1 TYR 6 HD1 TYR 6 -8.052 6.876 1.356 56 HD2 TYR 6 HD2 TYR 6 -12.171 5.994 0.823 57 HE1 TYR 6 HE1 TYR 6 -8.492 9.240 0.993 58 HE2 TYR 6 HE2 TYR 6 -12.641 8.372 0.446 59 HH TYR 6 HH TYR 6 -11.583 10.526 1.109 60 H ASN 7 H ASN 7 -10.475 1.797 0.057 61 HA ASN 7 HA ASN 7 -8.628 0.441 1.780 62 HB2 ASN 7 HB2 ASN 7 -11.068 -0.112 1.615 63 HB3 ASN 7 HB3 ASN 7 -10.772 -0.731 0.000 64 HD21 ASN 7 HD21 ASN 7 -11.792 -2.006 2.378 65 HD22 ASN 7 HD22 ASN 7 -10.804 -3.380 2.651 66 H MET 8 H MET 8 -9.568 -0.019 -1.578 67 HA MET 8 HA MET 8 -7.277 -1.670 -2.023 68 HB2 MET 8 HB2 MET 8 -9.453 -2.132 -3.089 69 HB3 MET 8 HB3 MET 8 -9.295 -0.653 -4.011 70 HG2 MET 8 HG2 MET 8 -8.677 -2.286 -5.526 71 HG3 MET 8 HG3 MET 8 -7.133 -1.694 -4.933 72 HE1 MET 8 HE1 MET 8 -5.803 -4.726 -2.793 73 HE2 MET 8 HE2 MET 8 -6.756 -3.483 -2.034 74 HE3 MET 8 HE3 MET 8 -5.551 -3.041 -3.269 75 H GLY 9 H GLY 9 -8.288 1.522 -3.177 76 HA2 GLY 9 HA2 GLY 9 -6.021 1.823 -4.879 77 HA3 GLY 9 HA3 GLY 9 -7.213 3.044 -4.492 78 H HIS 10 H HIS 10 -6.896 3.249 -1.780 79 HA HIS 10 HA HIS 10 -4.553 4.926 -1.632 80 HB2 HIS 10 HB2 HIS 10 -6.698 5.325 -0.417 81 HB3 HIS 10 HB3 HIS 10 -6.296 3.989 0.661 82 HD1 HIS 10 HD1 HIS 10 -4.436 7.043 -0.612 83 HD2 HIS 10 HD2 HIS 10 -5.321 5.055 2.913 84 HE1 HIS 10 HE1 HIS 10 -3.364 8.359 1.156 85 H TYR 11 H TYR 11 -5.276 1.682 -0.474 86 HA TYR 11 HA TYR 11 -2.730 1.455 0.719 87 HB2 TYR 11 HB2 TYR 11 -4.915 -0.453 0.175 88 HB3 TYR 11 HB3 TYR 11 -3.309 -1.101 0.506 89 HD1 TYR 11 HD1 TYR 11 -6.229 0.528 1.933 90 HD2 TYR 11 HD2 TYR 11 -2.205 -0.598 2.593 91 HE1 TYR 11 HE1 TYR 11 -6.529 0.878 4.359 92 HE2 TYR 11 HE2 TYR 11 -2.449 -0.276 4.956 93 HH TYR 11 HH TYR 11 -5.547 0.208 6.429 94 H ALA 12 H ALA 12 -3.923 0.867 -2.477 95 HA ALA 12 HA ALA 12 -1.718 -0.581 -3.438 96 HB1 ALA 12 HB1 ALA 12 -3.779 -0.311 -4.759 97 HB2 ALA 12 HB2 ALA 12 -2.364 0.210 -5.679 98 HB3 ALA 12 HB3 ALA 12 -3.430 1.409 -4.948 99 H GLY 13 H GLY 13 -2.353 2.873 -3.283 100 HA2 GLY 13 HA2 GLY 13 0.127 3.734 -4.345 101 HA3 GLY 13 HA3 GLY 13 -0.919 4.692 -3.298 102 H LYS 14 H LYS 14 -0.959 3.201 -1.051 103 HA LYS 14 HA LYS 14 1.278 3.989 0.409 104 HB2 LYS 14 HB2 LYS 14 -1.166 2.617 0.834 105 HB3 LYS 14 HB3 LYS 14 0.098 1.706 1.628 106 HG2 LYS 14 HG2 LYS 14 -1.027 3.323 3.109 107 HG3 LYS 14 HG3 LYS 14 0.702 3.621 2.958 108 HD2 LYS 14 HD2 LYS 14 0.350 5.481 1.520 109 HD3 LYS 14 HD3 LYS 14 -1.352 5.056 1.291 110 HE2 LYS 14 HE2 LYS 14 -1.888 5.641 3.472 111 HE3 LYS 14 HE3 LYS 14 -0.189 5.766 3.971 112 HZ1 LYS 14 HZ1 LYS 14 0.010 7.696 2.577 113 HZ2 LYS 14 HZ2 LYS 14 -1.284 7.932 3.618 114 HZ3 LYS 14 HZ3 LYS 14 -1.559 7.514 2.009 115 H ALA 15 H ALA 15 0.420 0.791 -0.771 116 HA ALA 15 HA ALA 15 2.786 -0.431 0.197 117 HB1 ALA 15 HB1 ALA 15 0.844 -1.484 -1.850 118 HB2 ALA 15 HB2 ALA 15 0.688 -1.666 -0.098 119 HB3 ALA 15 HB3 ALA 15 2.044 -2.419 -0.951 120 H THR 16 H THR 16 1.983 1.146 -2.788 121 HA THR 16 HA THR 16 4.230 0.057 -4.154 122 HB THR 16 HB THR 16 2.577 2.496 -4.853 123 HG1 THR 16 HG1 THR 16 1.278 0.712 -4.940 124 HG21 THR 16 HG21 THR 16 4.426 0.811 -6.550 125 HG22 THR 16 HG22 THR 16 4.783 2.432 -5.962 126 HG23 THR 16 HG23 THR 16 3.474 2.185 -7.114 127 H ILE 17 H ILE 17 3.621 3.053 -2.350 128 HA ILE 17 HA ILE 17 6.275 3.866 -2.980 129 HB ILE 17 HB ILE 17 4.677 5.650 -2.689 130 HG12 ILE 17 HG12 ILE 17 5.880 7.101 -1.076 131 HG13 ILE 17 HG13 ILE 17 6.745 5.689 -0.483 132 HG21 ILE 17 HG21 ILE 17 4.369 4.761 0.167 133 HG22 ILE 17 HG22 ILE 17 3.145 4.705 -1.109 134 HG23 ILE 17 HG23 ILE 17 3.729 6.261 -0.505 135 HD11 ILE 17 HD11 ILE 17 8.084 7.015 -2.041 136 HD12 ILE 17 HD12 ILE 17 6.864 6.762 -3.297 137 HD13 ILE 17 HD13 ILE 17 7.779 5.397 -2.667 138 H PHE 18 H PHE 18 4.764 2.721 0.034 139 HA PHE 18 HA PHE 18 7.338 2.652 1.291 140 HB2 PHE 18 HB2 PHE 18 4.693 1.686 2.339 141 HB3 PHE 18 HB3 PHE 18 6.186 1.801 3.268 142 HD1 PHE 18 HD1 PHE 18 7.345 4.235 2.829 143 HD2 PHE 18 HD2 PHE 18 3.199 3.347 2.796 144 HE1 PHE 18 HE1 PHE 18 6.854 6.575 3.382 145 HE2 PHE 18 HE2 PHE 18 2.687 5.689 3.337 146 HZ PHE 18 HZ PHE 18 4.522 7.309 3.630 147 H GLY 19 H GLY 19 4.960 0.079 0.697 148 HA2 GLY 19 HA2 GLY 19 6.567 -2.051 1.422 149 HA3 GLY 19 HA3 GLY 19 5.207 -2.154 0.310 150 H LEU 20 H LEU 20 6.052 -0.787 -1.827 151 HA LEU 20 HA LEU 20 7.925 -2.524 -2.957 152 HB2 LEU 20 HB2 LEU 20 6.426 -0.257 -3.913 153 HB3 LEU 20 HB3 LEU 20 8.019 -0.375 -4.643 154 HG LEU 20 HG LEU 20 7.467 -2.754 -5.087 155 HD11 LEU 20 HD11 LEU 20 5.101 -3.379 -5.272 156 HD12 LEU 20 HD12 LEU 20 4.645 -1.815 -4.618 157 HD13 LEU 20 HD13 LEU 20 5.528 -2.965 -3.606 158 HD21 LEU 20 HD21 LEU 20 5.951 -0.584 -6.505 159 HD22 LEU 20 HD22 LEU 20 6.249 -2.199 -7.165 160 HD23 LEU 20 HD23 LEU 20 7.600 -1.122 -6.811 161 H ALA 21 H ALA 21 8.416 0.570 -1.452 162 HA ALA 21 HA ALA 21 11.094 0.844 -2.307 163 HB1 ALA 21 HB1 ALA 21 9.876 2.707 -1.254 164 HB2 ALA 21 HB2 ALA 21 11.417 2.381 -0.460 165 HB3 ALA 21 HB3 ALA 21 9.907 1.838 0.280 166 H ALA 22 H ALA 22 9.621 -1.121 0.106 167 HA ALA 22 HA ALA 22 12.055 -1.721 1.461 168 HB1 ALA 22 HB1 ALA 22 9.881 -2.050 2.550 169 HB2 ALA 22 HB2 ALA 22 10.844 -3.528 2.523 170 HB3 ALA 22 HB3 ALA 22 9.507 -3.327 1.392 171 H TRP 23 H TRP 23 10.373 -2.981 -1.281 172 HA TRP 23 HA TRP 23 12.239 -5.178 -1.423 173 HB2 TRP 23 HB2 TRP 23 9.576 -4.940 -2.158 174 HB3 TRP 23 HB3 TRP 23 10.457 -5.064 -3.678 175 HD1 TRP 23 HD1 TRP 23 10.498 -7.526 -4.404 176 HE1 TRP 23 HE1 TRP 23 10.926 -9.787 -3.230 177 HE3 TRP 23 HE3 TRP 23 10.973 -5.873 0.410 178 HZ2 TRP 23 HZ2 TRP 23 11.412 -10.731 -0.612 179 HZ3 TRP 23 HZ3 TRP 23 11.437 -7.487 2.179 180 HH2 TRP 23 HH2 TRP 23 11.654 -9.880 1.688 181 H ALA 24 H ALA 24 11.435 -2.354 -3.345 182 HA ALA 24 HA ALA 24 13.434 -2.944 -5.272 183 HB1 ALA 24 HB1 ALA 24 11.446 -1.669 -5.853 184 HB2 ALA 24 HB2 ALA 24 12.922 -0.770 -6.219 185 HB3 ALA 24 HB3 ALA 24 11.970 -0.356 -4.797 186 H LEU 25 H LEU 25 13.160 -0.485 -2.769 187 HA LEU 25 HA LEU 25 15.786 0.572 -3.242 188 HB2 LEU 25 HB2 LEU 25 13.703 1.855 -2.617 189 HB3 LEU 25 HB3 LEU 25 13.853 1.150 -1.059 190 HG LEU 25 HG LEU 25 15.962 2.270 -0.618 191 HD11 LEU 25 HD11 LEU 25 15.547 3.560 -3.314 192 HD12 LEU 25 HD12 LEU 25 16.840 2.436 -2.887 193 HD13 LEU 25 HD13 LEU 25 16.763 4.029 -2.131 194 HD21 LEU 25 HD21 LEU 25 13.905 3.344 0.046 195 HD22 LEU 25 HD22 LEU 25 13.745 4.086 -1.542 196 HD23 LEU 25 HD23 LEU 25 15.064 4.565 -0.480 197 H LEU 26 H LEU 26 14.251 -1.321 -0.658 198 HA LEU 26 HA LEU 26 16.553 -1.087 1.063 199 HB2 LEU 26 HB2 LEU 26 14.296 -0.819 1.946 200 HB3 LEU 26 HB3 LEU 26 13.908 -2.436 1.382 201 HG LEU 26 HG LEU 26 15.617 -3.293 2.949 202 HD11 LEU 26 HD11 LEU 26 15.477 -0.498 4.057 203 HD12 LEU 26 HD12 LEU 26 16.877 -1.276 3.325 204 HD13 LEU 26 HD13 LEU 26 16.234 -1.881 4.853 205 HD21 LEU 26 HD21 LEU 26 14.136 -3.133 4.912 206 HD22 LEU 26 HD22 LEU 26 13.267 -3.495 3.422 207 HD23 LEU 26 HD23 LEU 26 13.213 -1.867 4.095 208 H ALA 27 H ALA 27 15.458 -3.241 -1.209 209 HA ALA 27 HA ALA 27 16.744 -5.517 0.099 210 HB1 ALA 27 HB1 ALA 27 14.515 -5.911 -0.855 211 HB2 ALA 27 HB2 ALA 27 15.724 -6.981 -1.549 212 HB3 ALA 27 HB3 ALA 27 15.154 -5.575 -2.462 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 -11.397 -10.056 0.143 2 H2 ARG 1 HT2 ARG 1 -12.008 -11.433 0.878 3 H3 ARG 1 HT3 ARG 1 -10.824 -10.501 1.655 4 HA ARG 1 HA ARG 1 -13.555 -9.596 0.990 5 HB2 ARG 1 HB2 ARG 1 -12.259 -10.196 3.667 6 HB3 ARG 1 HB3 ARG 1 -13.800 -9.394 3.458 7 HG2 ARG 1 HG2 ARG 1 -14.751 -11.418 2.529 8 HG3 ARG 1 HG3 ARG 1 -13.178 -12.229 2.630 9 HD2 ARG 1 HD2 ARG 1 -13.176 -11.854 5.040 10 HD3 ARG 1 HD3 ARG 1 -14.775 -11.118 4.924 11 HE ARG 1 HE ARG 1 -15.306 -13.437 3.899 12 HH11 ARG 1 HH11 ARG 1 -13.078 -12.817 6.606 13 HH12 ARG 1 HH12 ARG 1 -13.513 -14.245 7.442 14 HH21 ARG 1 HH21 ARG 1 -15.878 -15.395 5.130 15 HH22 ARG 1 HH22 ARG 1 -15.143 -15.675 6.640 16 H ASN 2 H ASN 2 -13.974 -7.537 2.193 17 HA ASN 2 HA ASN 2 -13.582 -5.433 2.779 18 HB2 ASN 2 HB2 ASN 2 -10.711 -6.284 3.178 19 HB3 ASN 2 HB3 ASN 2 -11.333 -4.683 3.567 20 HD21 ASN 2 HD21 ASN 2 -12.771 -4.462 5.269 21 HD22 ASN 2 HD22 ASN 2 -12.951 -5.693 6.474 22 H LYS 3 H LYS 3 -13.015 -6.553 -0.032 23 HA LYS 3 HA LYS 3 -11.279 -4.770 -1.340 24 HB2 LYS 3 HB2 LYS 3 -12.348 -6.807 -2.390 25 HB3 LYS 3 HB3 LYS 3 -13.847 -5.901 -2.463 26 HG2 LYS 3 HG2 LYS 3 -12.354 -4.137 -3.699 27 HG3 LYS 3 HG3 LYS 3 -11.344 -5.544 -4.025 28 HD2 LYS 3 HD2 LYS 3 -12.858 -5.248 -5.867 29 HD3 LYS 3 HD3 LYS 3 -13.378 -6.669 -4.950 30 HE2 LYS 3 HE2 LYS 3 -15.129 -5.366 -3.860 31 HE3 LYS 3 HE3 LYS 3 -14.508 -3.896 -4.590 32 HZ1 LYS 3 HZ1 LYS 3 -15.709 -6.166 -6.089 33 HZ2 LYS 3 HZ2 LYS 3 -15.117 -4.759 -6.743 34 HZ3 LYS 3 HZ3 LYS 3 -16.452 -4.700 -5.735 35 H LEU 4 H LEU 4 -11.580 -2.708 -2.043 36 HA LEU 4 HA LEU 4 -14.041 -1.299 -2.046 37 HB2 LEU 4 HB2 LEU 4 -13.682 -1.634 0.383 38 HB3 LEU 4 HB3 LEU 4 -12.112 -0.872 0.240 39 HG LEU 4 HG LEU 4 -13.269 1.254 -0.419 40 HD11 LEU 4 HD11 LEU 4 -15.666 1.466 0.014 41 HD12 LEU 4 HD12 LEU 4 -15.756 -0.277 0.293 42 HD13 LEU 4 HD13 LEU 4 -15.312 0.343 -1.295 43 HD21 LEU 4 HD21 LEU 4 -12.545 0.851 1.869 44 HD22 LEU 4 HD22 LEU 4 -14.085 0.070 2.226 45 HD23 LEU 4 HD23 LEU 4 -14.037 1.790 1.826 46 H ALA 5 H ALA 5 -13.628 0.817 -2.778 47 HA ALA 5 HA ALA 5 -11.468 1.286 -4.410 48 HB1 ALA 5 HB1 ALA 5 -12.131 3.622 -4.427 49 HB2 ALA 5 HB2 ALA 5 -13.061 3.376 -2.945 50 HB3 ALA 5 HB3 ALA 5 -13.554 2.576 -4.438 51 H TYR 6 H TYR 6 -11.807 2.069 -1.057 52 HA TYR 6 HA TYR 6 -9.226 3.303 -0.882 53 HB2 TYR 6 HB2 TYR 6 -11.218 2.552 1.249 54 HB3 TYR 6 HB3 TYR 6 -9.608 3.140 1.645 55 HD1 TYR 6 HD1 TYR 6 -12.871 4.053 0.201 56 HD2 TYR 6 HD2 TYR 6 -8.972 5.415 1.248 57 HE1 TYR 6 HE1 TYR 6 -13.601 6.392 -0.079 58 HE2 TYR 6 HE2 TYR 6 -9.687 7.730 0.966 59 HH TYR 6 HH TYR 6 -12.965 8.622 0.582 60 H ASN 7 H ASN 7 -10.341 0.108 -0.688 61 HA ASN 7 HA ASN 7 -8.073 -0.896 0.760 62 HB2 ASN 7 HB2 ASN 7 -10.194 -2.156 0.770 63 HB3 ASN 7 HB3 ASN 7 -10.079 -2.361 -0.970 64 HD21 ASN 7 HD21 ASN 7 -8.895 -3.417 2.102 65 HD22 ASN 7 HD22 ASN 7 -7.999 -4.768 1.531 66 H MET 8 H MET 8 -9.151 -1.113 -2.575 67 HA MET 8 HA MET 8 -6.582 -2.067 -3.320 68 HB2 MET 8 HB2 MET 8 -9.011 -1.444 -4.953 69 HB3 MET 8 HB3 MET 8 -7.503 -1.942 -5.697 70 HG2 MET 8 HG2 MET 8 -8.855 -3.603 -3.591 71 HG3 MET 8 HG3 MET 8 -9.324 -3.714 -5.279 72 HE1 MET 8 HE1 MET 8 -6.545 -4.333 -2.585 73 HE2 MET 8 HE2 MET 8 -5.451 -3.491 -3.717 74 HE3 MET 8 HE3 MET 8 -5.319 -5.210 -3.482 75 H GLY 9 H GLY 9 -8.368 0.844 -4.223 76 HA2 GLY 9 HA2 GLY 9 -6.216 1.894 -5.730 77 HA3 GLY 9 HA3 GLY 9 -7.678 2.752 -5.271 78 H HIS 10 H HIS 10 -7.439 2.683 -2.512 79 HA HIS 10 HA HIS 10 -5.546 4.824 -2.236 80 HB2 HIS 10 HB2 HIS 10 -7.734 4.788 -1.035 81 HB3 HIS 10 HB3 HIS 10 -7.091 3.504 -0.003 82 HD1 HIS 10 HD1 HIS 10 -5.945 6.966 -1.078 83 HD2 HIS 10 HD2 HIS 10 -6.139 4.504 2.254 84 HE1 HIS 10 HE1 HIS 10 -4.895 8.245 0.728 85 H TYR 11 H TYR 11 -5.563 1.458 -1.053 86 HA TYR 11 HA TYR 11 -3.125 1.678 0.347 87 HB2 TYR 11 HB2 TYR 11 -4.545 -0.633 -0.863 88 HB3 TYR 11 HB3 TYR 11 -2.902 -0.822 -0.292 89 HD1 TYR 11 HD1 TYR 11 -2.436 -1.187 1.950 90 HD2 TYR 11 HD2 TYR 11 -6.292 0.130 0.808 91 HE1 TYR 11 HE1 TYR 11 -3.216 -1.638 4.201 92 HE2 TYR 11 HE2 TYR 11 -7.135 -0.313 3.090 93 HH TYR 11 HH TYR 11 -5.020 -1.050 5.713 94 H ALA 12 H ALA 12 -3.833 1.184 -3.038 95 HA ALA 12 HA ALA 12 -1.343 0.352 -3.908 96 HB1 ALA 12 HB1 ALA 12 -1.943 1.233 -6.093 97 HB2 ALA 12 HB2 ALA 12 -3.198 2.228 -5.364 98 HB3 ALA 12 HB3 ALA 12 -3.347 0.468 -5.347 99 H GLY 13 H GLY 13 -2.485 3.571 -3.146 100 HA2 GLY 13 HA2 GLY 13 -0.124 4.930 -4.010 101 HA3 GLY 13 HA3 GLY 13 -1.346 5.579 -2.920 102 H LYS 14 H LYS 14 -1.255 3.808 -0.860 103 HA LYS 14 HA LYS 14 1.042 4.778 0.500 104 HB2 LYS 14 HB2 LYS 14 -1.294 3.130 1.344 105 HB3 LYS 14 HB3 LYS 14 0.152 3.088 2.351 106 HG2 LYS 14 HG2 LYS 14 -1.424 4.735 3.171 107 HG3 LYS 14 HG3 LYS 14 0.053 5.507 2.614 108 HD2 LYS 14 HD2 LYS 14 -1.114 5.991 0.440 109 HD3 LYS 14 HD3 LYS 14 -2.597 5.393 1.185 110 HE2 LYS 14 HE2 LYS 14 -0.951 7.683 2.254 111 HE3 LYS 14 HE3 LYS 14 -2.397 7.855 1.264 112 HZ1 LYS 14 HZ1 LYS 14 -2.868 8.108 3.629 113 HZ2 LYS 14 HZ2 LYS 14 -2.321 6.568 3.961 114 HZ3 LYS 14 HZ3 LYS 14 -3.678 6.778 3.003 115 H ALA 15 H ALA 15 0.281 1.720 -0.945 116 HA ALA 15 HA ALA 15 2.531 0.415 0.176 117 HB1 ALA 15 HB1 ALA 15 0.577 -0.854 -0.552 118 HB2 ALA 15 HB2 ALA 15 2.043 -1.375 -1.395 119 HB3 ALA 15 HB3 ALA 15 0.870 -0.340 -2.218 120 H THR 16 H THR 16 2.000 2.365 -2.640 121 HA THR 16 HA THR 16 4.501 1.608 -3.794 122 HB THR 16 HB THR 16 2.885 4.097 -4.439 123 HG1 THR 16 HG1 THR 16 1.625 2.280 -4.908 124 HG21 THR 16 HG21 THR 16 5.210 4.149 -5.239 125 HG22 THR 16 HG22 THR 16 4.085 3.978 -6.589 126 HG23 THR 16 HG23 THR 16 4.975 2.572 -5.986 127 H ILE 17 H ILE 17 3.450 4.277 -1.702 128 HA ILE 17 HA ILE 17 6.095 5.335 -1.790 129 HB ILE 17 HB ILE 17 4.325 6.917 -1.424 130 HG12 ILE 17 HG12 ILE 17 5.068 8.085 0.653 131 HG13 ILE 17 HG13 ILE 17 6.006 6.658 1.068 132 HG21 ILE 17 HG21 ILE 17 3.649 5.459 1.107 133 HG22 ILE 17 HG22 ILE 17 2.688 5.535 -0.368 134 HG23 ILE 17 HG23 ILE 17 2.949 6.994 0.590 135 HD11 ILE 17 HD11 ILE 17 6.395 8.387 -1.368 136 HD12 ILE 17 HD12 ILE 17 7.364 6.971 -0.939 137 HD13 ILE 17 HD13 ILE 17 7.387 8.403 0.088 138 H PHE 18 H PHE 18 4.287 3.646 0.800 139 HA PHE 18 HA PHE 18 6.671 3.470 2.366 140 HB2 PHE 18 HB2 PHE 18 3.954 2.272 2.865 141 HB3 PHE 18 HB3 PHE 18 5.297 2.248 4.007 142 HD1 PHE 18 HD1 PHE 18 2.331 3.759 3.534 143 HD2 PHE 18 HD2 PHE 18 6.419 4.805 3.972 144 HE1 PHE 18 HE1 PHE 18 1.660 5.992 4.342 145 HE2 PHE 18 HE2 PHE 18 5.767 7.041 4.803 146 HZ PHE 18 HZ PHE 18 3.385 7.634 4.985 147 H GLY 19 H GLY 19 4.641 1.086 0.767 148 HA2 GLY 19 HA2 GLY 19 6.128 -1.190 1.556 149 HA3 GLY 19 HA3 GLY 19 5.014 -1.111 0.194 150 H LEU 20 H LEU 20 6.060 0.514 -1.536 151 HA LEU 20 HA LEU 20 8.071 -0.970 -2.732 152 HB2 LEU 20 HB2 LEU 20 6.452 0.979 -3.581 153 HB3 LEU 20 HB3 LEU 20 7.951 1.881 -3.459 154 HG LEU 20 HG LEU 20 8.964 -0.005 -4.830 155 HD11 LEU 20 HD11 LEU 20 7.392 -1.239 -6.242 156 HD12 LEU 20 HD12 LEU 20 6.057 -0.447 -5.405 157 HD13 LEU 20 HD13 LEU 20 7.103 -1.554 -4.522 158 HD21 LEU 20 HD21 LEU 20 8.606 2.229 -5.715 159 HD22 LEU 20 HD22 LEU 20 6.921 1.835 -6.079 160 HD23 LEU 20 HD23 LEU 20 8.230 1.011 -6.931 161 H ALA 21 H ALA 21 8.358 1.771 -0.477 162 HA ALA 21 HA ALA 21 11.046 2.377 -0.897 163 HB1 ALA 21 HB1 ALA 21 11.000 3.276 1.389 164 HB2 ALA 21 HB2 ALA 21 9.466 2.452 1.670 165 HB3 ALA 21 HB3 ALA 21 9.561 3.756 0.486 166 H ALA 22 H ALA 22 9.523 -0.266 0.783 167 HA ALA 22 HA ALA 22 11.889 -1.112 2.132 168 HB1 ALA 22 HB1 ALA 22 10.646 -3.139 2.655 169 HB2 ALA 22 HB2 ALA 22 9.389 -2.674 1.508 170 HB3 ALA 22 HB3 ALA 22 9.656 -1.709 2.965 171 H TRP 23 H TRP 23 10.513 -1.687 -0.987 172 HA TRP 23 HA TRP 23 12.384 -3.848 -1.427 173 HB2 TRP 23 HB2 TRP 23 9.821 -3.329 -2.387 174 HB3 TRP 23 HB3 TRP 23 10.879 -3.080 -3.758 175 HD1 TRP 23 HD1 TRP 23 10.872 -5.243 -5.156 176 HE1 TRP 23 HE1 TRP 23 11.160 -7.751 -4.661 177 HE3 TRP 23 HE3 TRP 23 11.078 -5.028 -0.059 178 HZ2 TRP 23 HZ2 TRP 23 11.456 -9.419 -2.379 179 HZ3 TRP 23 HZ3 TRP 23 11.383 -7.080 1.212 180 HH2 TRP 23 HH2 TRP 23 11.566 -9.256 0.078 181 H ALA 24 H ALA 24 11.773 -0.623 -2.676 182 HA ALA 24 HA ALA 24 13.969 -0.726 -4.492 183 HB1 ALA 24 HB1 ALA 24 12.020 0.697 -4.895 184 HB2 ALA 24 HB2 ALA 24 13.514 1.634 -4.872 185 HB3 ALA 24 HB3 ALA 24 12.436 1.657 -3.476 186 H LEU 25 H LEU 25 13.415 1.030 -1.469 187 HA LEU 25 HA LEU 25 16.090 2.053 -1.444 188 HB2 LEU 25 HB2 LEU 25 13.803 2.348 0.471 189 HB3 LEU 25 HB3 LEU 25 15.354 3.169 0.649 190 HG LEU 25 HG LEU 25 13.383 3.498 -1.617 191 HD11 LEU 25 HD11 LEU 25 13.011 5.710 -0.684 192 HD12 LEU 25 HD12 LEU 25 14.050 5.310 0.688 193 HD13 LEU 25 HD13 LEU 25 12.541 4.432 0.434 194 HD21 LEU 25 HD21 LEU 25 15.988 4.909 -1.045 195 HD22 LEU 25 HD22 LEU 25 14.806 5.423 -2.235 196 HD23 LEU 25 HD23 LEU 25 15.622 3.874 -2.427 197 H LEU 26 H LEU 26 14.354 -0.459 0.314 198 HA LEU 26 HA LEU 26 16.496 -0.651 2.256 199 HB2 LEU 26 HB2 LEU 26 14.224 -0.592 3.063 200 HB3 LEU 26 HB3 LEU 26 13.812 -1.976 2.073 201 HG LEU 26 HG LEU 26 15.509 -3.239 3.424 202 HD11 LEU 26 HD11 LEU 26 15.946 -2.392 5.706 203 HD12 LEU 26 HD12 LEU 26 15.211 -0.855 5.241 204 HD13 LEU 26 HD13 LEU 26 16.684 -1.407 4.446 205 HD21 LEU 26 HD21 LEU 26 13.139 -3.625 3.662 206 HD22 LEU 26 HD22 LEU 26 12.981 -2.229 4.721 207 HD23 LEU 26 HD23 LEU 26 13.884 -3.647 5.262 208 H ALA 27 H ALA 27 15.494 -2.219 -0.521 209 HA ALA 27 HA ALA 27 17.051 -4.604 0.209 210 HB1 ALA 27 HB1 ALA 27 14.911 -4.409 -1.918 211 HB2 ALA 27 HB2 ALA 27 14.693 -5.087 -0.307 212 HB3 ALA 27 HB3 ALA 27 15.767 -5.877 -1.450 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 -13.104 10.402 -4.066 2 H2 ARG 1 HT2 ARG 1 -11.707 11.221 -3.556 3 H3 ARG 1 HT3 ARG 1 -12.863 10.693 -2.434 4 HA ARG 1 HA ARG 1 -11.326 8.900 -4.181 5 HB2 ARG 1 HB2 ARG 1 -11.063 9.453 -1.210 6 HB3 ARG 1 HB3 ARG 1 -10.161 8.242 -2.092 7 HG2 ARG 1 HG2 ARG 1 -9.012 9.914 -3.354 8 HG3 ARG 1 HG3 ARG 1 -10.021 11.188 -2.668 9 HD2 ARG 1 HD2 ARG 1 -9.127 10.646 -0.446 10 HD3 ARG 1 HD3 ARG 1 -8.085 9.432 -1.179 11 HE ARG 1 HE ARG 1 -7.808 12.070 -2.290 12 HH11 ARG 1 HH11 ARG 1 -6.725 9.961 0.288 13 HH12 ARG 1 HH12 ARG 1 -5.193 10.681 0.460 14 HH21 ARG 1 HH21 ARG 1 -5.809 13.117 -2.045 15 HH22 ARG 1 HH22 ARG 1 -4.631 12.598 -0.926 16 H ASN 2 H ASN 2 -11.523 6.657 -3.022 17 HA ASN 2 HA ASN 2 -14.344 6.329 -2.264 18 HB2 ASN 2 HB2 ASN 2 -12.502 4.442 -3.738 19 HB3 ASN 2 HB3 ASN 2 -14.026 3.932 -3.031 20 HD21 ASN 2 HD21 ASN 2 -13.175 3.897 -5.768 21 HD22 ASN 2 HD22 ASN 2 -14.324 4.837 -6.659 22 H LYS 3 H LYS 3 -14.604 5.829 -0.209 23 HA LYS 3 HA LYS 3 -12.351 4.712 1.178 24 HB2 LYS 3 HB2 LYS 3 -13.542 6.401 2.414 25 HB3 LYS 3 HB3 LYS 3 -15.084 5.525 2.218 26 HG2 LYS 3 HG2 LYS 3 -14.286 5.163 4.435 27 HG3 LYS 3 HG3 LYS 3 -14.025 3.695 3.463 28 HD2 LYS 3 HD2 LYS 3 -11.701 5.050 3.091 29 HD3 LYS 3 HD3 LYS 3 -12.092 5.384 4.785 30 HE2 LYS 3 HE2 LYS 3 -12.156 2.737 3.477 31 HE3 LYS 3 HE3 LYS 3 -10.802 3.311 4.479 32 HZ1 LYS 3 HZ1 LYS 3 -13.613 2.961 5.430 33 HZ2 LYS 3 HZ2 LYS 3 -12.263 3.341 6.394 34 HZ3 LYS 3 HZ3 LYS 3 -12.403 1.843 5.671 35 H LEU 4 H LEU 4 -12.028 2.742 0.710 36 HA LEU 4 HA LEU 4 -14.155 0.769 1.086 37 HB2 LEU 4 HB2 LEU 4 -13.781 1.439 -1.324 38 HB3 LEU 4 HB3 LEU 4 -12.170 0.777 -1.188 39 HG LEU 4 HG LEU 4 -13.230 -1.449 -0.627 40 HD11 LEU 4 HD11 LEU 4 -15.411 -0.632 0.070 41 HD12 LEU 4 HD12 LEU 4 -15.551 -1.777 -1.265 42 HD13 LEU 4 HD13 LEU 4 -15.723 -0.050 -1.567 43 HD21 LEU 4 HD21 LEU 4 -13.770 -1.952 -2.957 44 HD22 LEU 4 HD22 LEU 4 -12.331 -0.938 -2.834 45 HD23 LEU 4 HD23 LEU 4 -13.876 -0.226 -3.297 46 H ALA 5 H ALA 5 -13.270 -1.246 1.752 47 HA ALA 5 HA ALA 5 -11.041 -1.070 3.427 48 HB1 ALA 5 HB1 ALA 5 -12.888 -2.621 3.811 49 HB2 ALA 5 HB2 ALA 5 -11.334 -3.460 3.779 50 HB3 ALA 5 HB3 ALA 5 -12.410 -3.537 2.379 51 H TYR 6 H TYR 6 -11.403 -2.030 0.176 52 HA TYR 6 HA TYR 6 -8.819 -3.253 0.001 53 HB2 TYR 6 HB2 TYR 6 -10.747 -2.434 -2.163 54 HB3 TYR 6 HB3 TYR 6 -9.237 -3.289 -2.451 55 HD1 TYR 6 HD1 TYR 6 -8.931 -5.574 -1.601 56 HD2 TYR 6 HD2 TYR 6 -12.676 -3.584 -1.323 57 HE1 TYR 6 HE1 TYR 6 -10.019 -7.710 -1.167 58 HE2 TYR 6 HE2 TYR 6 -13.787 -5.715 -0.880 59 HH TYR 6 HH TYR 6 -12.120 -8.442 -0.010 60 H ASN 7 H ASN 7 -10.102 -0.123 -0.421 61 HA ASN 7 HA ASN 7 -7.776 0.860 -1.823 62 HB2 ASN 7 HB2 ASN 7 -9.995 1.986 -2.194 63 HB3 ASN 7 HB3 ASN 7 -9.956 2.505 -0.516 64 HD21 ASN 7 HD21 ASN 7 -10.019 4.709 -1.204 65 HD22 ASN 7 HD22 ASN 7 -8.597 5.479 -1.814 66 H MET 8 H MET 8 -9.131 1.551 1.397 67 HA MET 8 HA MET 8 -6.570 2.576 2.094 68 HB2 MET 8 HB2 MET 8 -9.086 2.356 3.687 69 HB3 MET 8 HB3 MET 8 -7.574 2.834 4.438 70 HG2 MET 8 HG2 MET 8 -8.746 4.250 2.063 71 HG3 MET 8 HG3 MET 8 -9.174 4.669 3.707 72 HE1 MET 8 HE1 MET 8 -6.476 4.690 0.918 73 HE2 MET 8 HE2 MET 8 -5.324 3.954 2.073 74 HE3 MET 8 HE3 MET 8 -5.179 5.632 1.618 75 H GLY 9 H GLY 9 -8.379 -0.146 3.475 76 HA2 GLY 9 HA2 GLY 9 -6.327 -0.953 5.218 77 HA3 GLY 9 HA3 GLY 9 -7.673 -1.942 4.704 78 H HIS 10 H HIS 10 -7.158 -2.202 2.028 79 HA HIS 10 HA HIS 10 -5.201 -4.289 2.107 80 HB2 HIS 10 HB2 HIS 10 -7.234 -4.266 0.682 81 HB3 HIS 10 HB3 HIS 10 -6.485 -3.016 -0.316 82 HD1 HIS 10 HD1 HIS 10 -5.140 -6.344 0.999 83 HD2 HIS 10 HD2 HIS 10 -5.779 -4.292 -2.542 84 HE1 HIS 10 HE1 HIS 10 -4.211 -7.764 -0.753 85 H TYR 11 H TYR 11 -5.129 -0.992 0.796 86 HA TYR 11 HA TYR 11 -2.470 -1.287 -0.140 87 HB2 TYR 11 HB2 TYR 11 -4.290 1.052 0.074 88 HB3 TYR 11 HB3 TYR 11 -2.575 1.301 -0.257 89 HD1 TYR 11 HD1 TYR 11 -1.643 0.749 -2.348 90 HD2 TYR 11 HD2 TYR 11 -5.678 -0.215 -1.501 91 HE1 TYR 11 HE1 TYR 11 -1.985 0.237 -4.684 92 HE2 TYR 11 HE2 TYR 11 -6.062 -0.755 -3.863 93 HH TYR 11 HH TYR 11 -3.494 -1.136 -6.052 94 H ALA 12 H ALA 12 -3.781 -0.285 2.903 95 HA ALA 12 HA ALA 12 -1.589 1.026 3.974 96 HB1 ALA 12 HB1 ALA 12 -2.414 0.308 6.175 97 HB2 ALA 12 HB2 ALA 12 -3.434 -0.897 5.395 98 HB3 ALA 12 HB3 ALA 12 -3.752 0.815 5.140 99 H GLY 13 H GLY 13 -2.231 -2.418 3.784 100 HA2 GLY 13 HA2 GLY 13 0.226 -3.151 5.065 101 HA3 GLY 13 HA3 GLY 13 -0.841 -4.246 4.195 102 H LYS 14 H LYS 14 -0.865 -2.907 1.735 103 HA LYS 14 HA LYS 14 1.465 -4.034 0.620 104 HB2 LYS 14 HB2 LYS 14 -0.914 -2.683 -0.497 105 HB3 LYS 14 HB3 LYS 14 0.515 -2.760 -1.518 106 HG2 LYS 14 HG2 LYS 14 -1.050 -4.622 -1.887 107 HG3 LYS 14 HG3 LYS 14 0.548 -5.161 -1.384 108 HD2 LYS 14 HD2 LYS 14 -0.347 -5.355 0.937 109 HD3 LYS 14 HD3 LYS 14 -1.943 -4.973 0.302 110 HE2 LYS 14 HE2 LYS 14 -1.915 -6.932 -1.083 111 HE3 LYS 14 HE3 LYS 14 -0.250 -7.282 -0.605 112 HZ1 LYS 14 HZ1 LYS 14 -1.834 -8.616 0.593 113 HZ2 LYS 14 HZ2 LYS 14 -2.587 -7.241 1.229 114 HZ3 LYS 14 HZ3 LYS 14 -0.994 -7.607 1.643 115 H ALA 15 H ALA 15 0.629 -0.712 1.289 116 HA ALA 15 HA ALA 15 2.912 0.278 -0.054 117 HB1 ALA 15 HB1 ALA 15 1.301 1.580 2.136 118 HB2 ALA 15 HB2 ALA 15 0.994 1.716 0.395 119 HB3 ALA 15 HB3 ALA 15 2.487 2.364 1.090 120 H THR 16 H THR 16 2.346 -1.026 3.113 121 HA THR 16 HA THR 16 4.834 -0.070 4.091 122 HB THR 16 HB THR 16 3.248 -2.362 5.278 123 HG1 THR 16 HG1 THR 16 1.822 -0.631 5.320 124 HG21 THR 16 HG21 THR 16 4.407 -1.600 7.342 125 HG22 THR 16 HG22 THR 16 5.219 -0.355 6.376 126 HG23 THR 16 HG23 THR 16 5.550 -2.048 6.065 127 H ILE 17 H ILE 17 3.769 -3.164 2.687 128 HA ILE 17 HA ILE 17 6.436 -4.159 3.015 129 HB ILE 17 HB ILE 17 4.701 -5.838 3.072 130 HG12 ILE 17 HG12 ILE 17 6.305 -6.166 0.528 131 HG13 ILE 17 HG13 ILE 17 6.891 -6.523 2.153 132 HG21 ILE 17 HG21 ILE 17 2.994 -4.820 1.746 133 HG22 ILE 17 HG22 ILE 17 3.325 -6.438 1.120 134 HG23 ILE 17 HG23 ILE 17 3.957 -5.019 0.281 135 HD11 ILE 17 HD11 ILE 17 4.635 -7.931 0.723 136 HD12 ILE 17 HD12 ILE 17 5.239 -8.318 2.339 137 HD13 ILE 17 HD13 ILE 17 6.278 -8.535 0.934 138 H PHE 18 H PHE 18 4.612 -3.142 0.125 139 HA PHE 18 HA PHE 18 6.949 -3.447 -1.513 140 HB2 PHE 18 HB2 PHE 18 4.267 -2.259 -2.230 141 HB3 PHE 18 HB3 PHE 18 5.548 -2.667 -3.358 142 HD1 PHE 18 HD1 PHE 18 6.429 -5.272 -2.402 143 HD2 PHE 18 HD2 PHE 18 2.515 -3.657 -2.715 144 HE1 PHE 18 HE1 PHE 18 5.502 -7.556 -2.624 145 HE2 PHE 18 HE2 PHE 18 1.588 -5.931 -2.942 146 HZ PHE 18 HZ PHE 18 3.085 -7.874 -2.887 147 H GLY 19 H GLY 19 4.925 -0.736 -0.586 148 HA2 GLY 19 HA2 GLY 19 6.332 1.325 -1.878 149 HA3 GLY 19 HA3 GLY 19 5.267 1.491 -0.485 150 H LEU 20 H LEU 20 6.418 0.383 1.505 151 HA LEU 20 HA LEU 20 8.442 2.140 2.237 152 HB2 LEU 20 HB2 LEU 20 6.853 0.476 3.583 153 HB3 LEU 20 HB3 LEU 20 8.346 -0.442 3.634 154 HG LEU 20 HG LEU 20 9.426 1.695 4.473 155 HD11 LEU 20 HD11 LEU 20 7.562 3.162 3.872 156 HD12 LEU 20 HD12 LEU 20 7.935 3.270 5.600 157 HD13 LEU 20 HD13 LEU 20 6.549 2.320 5.046 158 HD21 LEU 20 HD21 LEU 20 9.061 -0.268 5.866 159 HD22 LEU 20 HD22 LEU 20 7.412 0.264 6.201 160 HD23 LEU 20 HD23 LEU 20 8.787 1.215 6.776 161 H ALA 21 H ALA 21 8.661 -1.126 0.797 162 HA ALA 21 HA ALA 21 11.412 -1.470 1.221 163 HB1 ALA 21 HB1 ALA 21 11.287 -3.110 -0.581 164 HB2 ALA 21 HB2 ALA 21 9.699 -2.489 -1.035 165 HB3 ALA 21 HB3 ALA 21 9.921 -3.291 0.522 166 H ALA 22 H ALA 22 9.566 0.299 -1.147 167 HA ALA 22 HA ALA 22 11.736 0.830 -2.898 168 HB1 ALA 22 HB1 ALA 22 9.227 2.445 -2.455 169 HB2 ALA 22 HB2 ALA 22 9.380 1.100 -3.584 170 HB3 ALA 22 HB3 ALA 22 10.309 2.581 -3.843 171 H TRP 23 H TRP 23 10.601 2.260 0.020 172 HA TRP 23 HA TRP 23 12.385 4.495 -0.306 173 HB2 TRP 23 HB2 TRP 23 10.034 4.081 1.076 174 HB3 TRP 23 HB3 TRP 23 11.249 4.211 2.343 175 HD1 TRP 23 HD1 TRP 23 11.203 6.641 3.167 176 HE1 TRP 23 HE1 TRP 23 11.143 8.977 2.056 177 HE3 TRP 23 HE3 TRP 23 10.860 5.215 -1.728 178 HZ2 TRP 23 HZ2 TRP 23 11.014 10.056 -0.552 179 HZ3 TRP 23 HZ3 TRP 23 10.796 6.919 -3.463 180 HH2 TRP 23 HH2 TRP 23 10.863 9.312 -2.899 181 H ALA 24 H ALA 24 12.188 1.654 1.761 182 HA ALA 24 HA ALA 24 14.596 2.288 3.136 183 HB1 ALA 24 HB1 ALA 24 13.192 -0.368 2.941 184 HB2 ALA 24 HB2 ALA 24 12.813 0.895 4.102 185 HB3 ALA 24 HB3 ALA 24 14.388 0.097 4.154 186 H LEU 25 H LEU 25 13.796 -0.130 0.667 187 HA LEU 25 HA LEU 25 16.525 -0.999 0.494 188 HB2 LEU 25 HB2 LEU 25 13.981 -1.878 -0.795 189 HB3 LEU 25 HB3 LEU 25 15.546 -2.555 -1.287 190 HG LEU 25 HG LEU 25 14.245 -2.727 1.449 191 HD11 LEU 25 HD11 LEU 25 13.121 -4.098 -0.216 192 HD12 LEU 25 HD12 LEU 25 14.014 -5.097 0.939 193 HD13 LEU 25 HD13 LEU 25 14.665 -4.818 -0.675 194 HD21 LEU 25 HD21 LEU 25 16.794 -3.949 0.411 195 HD22 LEU 25 HD22 LEU 25 16.051 -4.291 1.972 196 HD23 LEU 25 HD23 LEU 25 16.665 -2.675 1.622 197 H LEU 26 H LEU 26 14.410 1.023 -1.437 198 HA LEU 26 HA LEU 26 16.287 0.858 -3.663 199 HB2 LEU 26 HB2 LEU 26 13.987 0.421 -4.202 200 HB3 LEU 26 HB3 LEU 26 13.497 1.926 -3.461 201 HG LEU 26 HG LEU 26 14.819 3.100 -5.210 202 HD11 LEU 26 HD11 LEU 26 16.234 1.305 -5.972 203 HD12 LEU 26 HD12 LEU 26 15.238 1.879 -7.313 204 HD13 LEU 26 HD13 LEU 26 14.824 0.383 -6.485 205 HD21 LEU 26 HD21 LEU 26 12.438 3.093 -5.316 206 HD22 LEU 26 HD22 LEU 26 12.413 1.463 -5.986 207 HD23 LEU 26 HD23 LEU 26 13.048 2.797 -6.945 208 H ALA 27 H ALA 27 15.464 2.946 -1.205 209 HA ALA 27 HA ALA 27 16.622 5.191 -2.686 210 HB1 ALA 27 HB1 ALA 27 15.466 6.723 -1.200 211 HB2 ALA 27 HB2 ALA 27 14.878 5.367 -0.237 212 HB3 ALA 27 HB3 ALA 27 14.319 5.575 -1.894 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 16.709 -9.948 -1.185 2 H2 ARG 1 HT2 ARG 1 16.789 -8.381 -0.561 3 H3 ARG 1 HT3 ARG 1 17.101 -8.644 -2.184 4 HA ARG 1 HA ARG 1 14.901 -9.210 -2.635 5 HB2 ARG 1 HB2 ARG 1 14.548 -8.735 0.322 6 HB3 ARG 1 HB3 ARG 1 13.222 -8.672 -0.827 7 HG2 ARG 1 HG2 ARG 1 14.976 -11.073 -0.434 8 HG3 ARG 1 HG3 ARG 1 13.436 -10.811 0.395 9 HD2 ARG 1 HD2 ARG 1 12.327 -10.681 -1.807 10 HD3 ARG 1 HD3 ARG 1 13.876 -11.055 -2.572 11 HE ARG 1 HE ARG 1 13.588 -13.062 -0.845 12 HH11 ARG 1 HH11 ARG 1 11.296 -11.805 -3.301 13 HH12 ARG 1 HH12 ARG 1 10.634 -13.344 -3.562 14 HH21 ARG 1 HH21 ARG 1 12.621 -15.068 -1.262 15 HH22 ARG 1 HH22 ARG 1 11.371 -15.244 -2.407 16 H ASN 2 H ASN 2 13.073 -7.467 -2.497 17 HA ASN 2 HA ASN 2 14.486 -5.009 -3.001 18 HB2 ASN 2 HB2 ASN 2 12.829 -5.892 -4.640 19 HB3 ASN 2 HB3 ASN 2 11.564 -5.599 -3.443 20 HD21 ASN 2 HD21 ASN 2 10.525 -4.165 -4.772 21 HD22 ASN 2 HD22 ASN 2 11.138 -2.584 -5.126 22 H LYS 3 H LYS 3 15.007 -4.362 -0.988 23 HA LYS 3 HA LYS 3 12.867 -3.591 0.903 24 HB2 LYS 3 HB2 LYS 3 14.662 -5.083 1.701 25 HB3 LYS 3 HB3 LYS 3 15.854 -3.895 1.221 26 HG2 LYS 3 HG2 LYS 3 14.427 -2.340 2.836 27 HG3 LYS 3 HG3 LYS 3 13.995 -3.902 3.546 28 HD2 LYS 3 HD2 LYS 3 15.909 -3.092 4.721 29 HD3 LYS 3 HD3 LYS 3 16.482 -4.385 3.660 30 HE2 LYS 3 HE2 LYS 3 17.081 -2.571 1.977 31 HE3 LYS 3 HE3 LYS 3 16.694 -1.416 3.240 32 HZ1 LYS 3 HZ1 LYS 3 19.048 -1.872 3.137 33 HZ2 LYS 3 HZ2 LYS 3 18.742 -3.516 3.411 34 HZ3 LYS 3 HZ3 LYS 3 18.389 -2.399 4.609 35 H LEU 4 H LEU 4 12.513 -1.462 1.173 36 HA LEU 4 HA LEU 4 14.423 0.559 1.028 37 HB2 LEU 4 HB2 LEU 4 14.232 0.097 -1.441 38 HB3 LEU 4 HB3 LEU 4 12.518 0.446 -1.332 39 HG LEU 4 HG LEU 4 13.084 2.771 -0.662 40 HD11 LEU 4 HD11 LEU 4 15.296 2.398 0.251 41 HD12 LEU 4 HD12 LEU 4 15.346 3.598 -1.032 42 HD13 LEU 4 HD13 LEU 4 15.894 1.951 -1.346 43 HD21 LEU 4 HD21 LEU 4 13.742 3.491 -2.907 44 HD22 LEU 4 HD22 LEU 4 12.525 2.215 -2.969 45 HD23 LEU 4 HD23 LEU 4 14.216 1.838 -3.295 46 H ALA 5 H ALA 5 13.474 2.480 1.730 47 HA ALA 5 HA ALA 5 11.272 2.351 3.350 48 HB1 ALA 5 HB1 ALA 5 12.422 4.810 2.055 49 HB2 ALA 5 HB2 ALA 5 12.986 4.066 3.554 50 HB3 ALA 5 HB3 ALA 5 11.384 4.796 3.479 51 H TYR 6 H TYR 6 11.432 3.028 0.005 52 HA TYR 6 HA TYR 6 8.736 4.026 -0.080 53 HB2 TYR 6 HB2 TYR 6 10.753 3.616 -2.288 54 HB3 TYR 6 HB3 TYR 6 9.115 4.224 -2.557 55 HD1 TYR 6 HD1 TYR 6 8.424 6.374 -1.695 56 HD2 TYR 6 HD2 TYR 6 12.415 5.012 -1.178 57 HE1 TYR 6 HE1 TYR 6 9.101 8.627 -1.019 58 HE2 TYR 6 HE2 TYR 6 13.107 7.267 -0.499 59 HH TYR 6 HH TYR 6 10.912 9.609 0.382 60 H ASN 7 H ASN 7 10.253 1.069 -0.319 61 HA ASN 7 HA ASN 7 8.113 -0.203 -1.748 62 HB2 ASN 7 HB2 ASN 7 10.348 -1.453 -0.122 63 HB3 ASN 7 HB3 ASN 7 9.168 -2.336 -1.091 64 HD21 ASN 7 HD21 ASN 7 12.017 -2.296 -1.317 65 HD22 ASN 7 HD22 ASN 7 12.358 -1.742 -2.917 66 H MET 8 H MET 8 9.281 -0.316 1.569 67 HA MET 8 HA MET 8 6.841 -1.553 2.335 68 HB2 MET 8 HB2 MET 8 9.296 -0.804 3.840 69 HB3 MET 8 HB3 MET 8 7.864 -1.313 4.736 70 HG2 MET 8 HG2 MET 8 9.222 -2.942 2.586 71 HG3 MET 8 HG3 MET 8 9.697 -3.002 4.268 72 HE1 MET 8 HE1 MET 8 5.829 -3.048 2.741 73 HE2 MET 8 HE2 MET 8 5.797 -4.790 2.513 74 HE3 MET 8 HE3 MET 8 6.978 -3.808 1.637 75 H GLY 9 H GLY 9 8.302 1.517 3.378 76 HA2 GLY 9 HA2 GLY 9 6.051 2.337 4.876 77 HA3 GLY 9 HA3 GLY 9 7.398 3.343 4.365 78 H HIS 10 H HIS 10 7.114 3.265 1.659 79 HA HIS 10 HA HIS 10 5.007 5.180 1.297 80 HB2 HIS 10 HB2 HIS 10 7.083 5.237 -0.051 81 HB3 HIS 10 HB3 HIS 10 6.597 3.739 -0.845 82 HD1 HIS 10 HD1 HIS 10 4.593 6.876 -0.173 83 HD2 HIS 10 HD2 HIS 10 5.967 4.550 -3.303 84 HE1 HIS 10 HE1 HIS 10 3.505 7.784 -2.181 85 H TYR 11 H TYR 11 5.239 1.736 0.467 86 HA TYR 11 HA TYR 11 2.675 1.717 -0.686 87 HB2 TYR 11 HB2 TYR 11 4.549 -0.400 0.157 88 HB3 TYR 11 HB3 TYR 11 2.849 -0.830 -0.054 89 HD1 TYR 11 HD1 TYR 11 5.818 0.507 -1.735 90 HD2 TYR 11 HD2 TYR 11 1.889 -0.981 -2.164 91 HE1 TYR 11 HE1 TYR 11 6.156 0.356 -4.169 92 HE2 TYR 11 HE2 TYR 11 2.163 -1.152 -4.572 93 HH TYR 11 HH TYR 11 5.287 -0.748 -6.043 94 H ALA 12 H ALA 12 3.756 1.419 2.581 95 HA ALA 12 HA ALA 12 1.416 0.441 3.740 96 HB1 ALA 12 HB1 ALA 12 3.309 2.511 4.884 97 HB2 ALA 12 HB2 ALA 12 3.489 0.766 5.035 98 HB3 ALA 12 HB3 ALA 12 2.127 1.582 5.806 99 H GLY 13 H GLY 13 2.253 3.606 2.583 100 HA2 GLY 13 HA2 GLY 13 -0.013 4.975 3.576 101 HA3 GLY 13 HA3 GLY 13 0.969 5.477 2.202 102 H LYS 14 H LYS 14 0.637 3.474 0.447 103 HA LYS 14 HA LYS 14 -1.916 4.196 -0.596 104 HB2 LYS 14 HB2 LYS 14 0.179 2.358 -1.713 105 HB3 LYS 14 HB3 LYS 14 -1.388 2.529 -2.475 106 HG2 LYS 14 HG2 LYS 14 -0.153 4.036 -3.686 107 HG3 LYS 14 HG3 LYS 14 -0.823 5.071 -2.432 108 HD2 LYS 14 HD2 LYS 14 1.467 5.648 -2.621 109 HD3 LYS 14 HD3 LYS 14 1.332 4.681 -1.152 110 HE2 LYS 14 HE2 LYS 14 3.272 3.972 -2.422 111 HE3 LYS 14 HE3 LYS 14 2.057 2.696 -2.439 112 HZ1 LYS 14 HZ1 LYS 14 3.062 3.080 -4.638 113 HZ2 LYS 14 HZ2 LYS 14 2.485 4.648 -4.634 114 HZ3 LYS 14 HZ3 LYS 14 1.411 3.368 -4.637 115 H ALA 15 H ALA 15 -0.668 1.313 0.899 116 HA ALA 15 HA ALA 15 -2.925 -0.232 0.192 117 HB1 ALA 15 HB1 ALA 15 -2.111 -1.860 1.737 118 HB2 ALA 15 HB2 ALA 15 -0.975 -0.693 2.432 119 HB3 ALA 15 HB3 ALA 15 -0.778 -1.241 0.753 120 H THR 16 H THR 16 -2.193 1.885 2.851 121 HA THR 16 HA THR 16 -4.449 0.992 4.334 122 HB THR 16 HB THR 16 -2.960 3.603 4.759 123 HG1 THR 16 HG1 THR 16 -1.437 2.027 5.032 124 HG21 THR 16 HG21 THR 16 -5.131 3.411 5.904 125 HG22 THR 16 HG22 THR 16 -3.810 3.339 7.075 126 HG23 THR 16 HG23 THR 16 -4.632 1.859 6.559 127 H ILE 17 H ILE 17 -3.839 3.735 2.127 128 HA ILE 17 HA ILE 17 -6.522 4.607 2.565 129 HB ILE 17 HB ILE 17 -4.913 6.334 2.017 130 HG12 ILE 17 HG12 ILE 17 -6.056 7.487 0.125 131 HG13 ILE 17 HG13 ILE 17 -6.947 6.005 -0.198 132 HG21 ILE 17 HG21 ILE 17 -4.539 4.982 -0.639 133 HG22 ILE 17 HG22 ILE 17 -3.353 5.132 0.660 134 HG23 ILE 17 HG23 ILE 17 -3.907 6.567 -0.198 135 HD11 ILE 17 HD11 ILE 17 -7.983 6.155 2.017 136 HD12 ILE 17 HD12 ILE 17 -8.290 7.601 1.060 137 HD13 ILE 17 HD13 ILE 17 -7.068 7.630 2.335 138 H PHE 18 H PHE 18 -4.955 3.064 -0.258 139 HA PHE 18 HA PHE 18 -7.491 2.799 -1.574 140 HB2 PHE 18 HB2 PHE 18 -4.811 1.659 -2.359 141 HB3 PHE 18 HB3 PHE 18 -6.235 1.732 -3.391 142 HD1 PHE 18 HD1 PHE 18 -3.214 3.070 -3.149 143 HD2 PHE 18 HD2 PHE 18 -7.251 4.366 -3.066 144 HE1 PHE 18 HE1 PHE 18 -2.482 5.295 -3.857 145 HE2 PHE 18 HE2 PHE 18 -6.539 6.625 -3.798 146 HZ PHE 18 HZ PHE 18 -4.139 7.085 -4.189 147 H GLY 19 H GLY 19 -5.090 0.462 -0.442 148 HA2 GLY 19 HA2 GLY 19 -6.518 -1.881 -0.984 149 HA3 GLY 19 HA3 GLY 19 -5.269 -1.728 0.234 150 H LEU 20 H LEU 20 -6.218 -0.233 2.103 151 HA LEU 20 HA LEU 20 -8.146 -1.799 3.381 152 HB2 LEU 20 HB2 LEU 20 -6.621 0.493 4.083 153 HB3 LEU 20 HB3 LEU 20 -8.269 0.662 4.687 154 HG LEU 20 HG LEU 20 -8.008 -1.646 5.589 155 HD11 LEU 20 HD11 LEU 20 -6.016 -2.317 4.347 156 HD12 LEU 20 HD12 LEU 20 -5.729 -2.416 6.086 157 HD13 LEU 20 HD13 LEU 20 -5.080 -1.063 5.170 158 HD21 LEU 20 HD21 LEU 20 -6.847 -0.860 7.620 159 HD22 LEU 20 HD22 LEU 20 -8.073 0.253 7.010 160 HD23 LEU 20 HD23 LEU 20 -6.361 0.588 6.730 161 H ALA 21 H ALA 21 -8.600 1.038 1.420 162 HA ALA 21 HA ALA 21 -11.269 1.581 2.146 163 HB1 ALA 21 HB1 ALA 21 -9.978 3.145 0.758 164 HB2 ALA 21 HB2 ALA 21 -11.499 2.714 -0.020 165 HB3 ALA 21 HB3 ALA 21 -9.991 1.979 -0.559 166 H ALA 22 H ALA 22 -9.878 -0.866 0.175 167 HA ALA 22 HA ALA 22 -12.273 -1.578 -1.175 168 HB1 ALA 22 HB1 ALA 22 -10.061 -2.178 -2.048 169 HB2 ALA 22 HB2 ALA 22 -11.099 -3.586 -1.840 170 HB3 ALA 22 HB3 ALA 22 -9.819 -3.248 -0.668 171 H TRP 23 H TRP 23 -10.811 -2.410 1.860 172 HA TRP 23 HA TRP 23 -12.781 -4.481 2.248 173 HB2 TRP 23 HB2 TRP 23 -10.154 -4.232 3.086 174 HB3 TRP 23 HB3 TRP 23 -11.118 -4.000 4.547 175 HD1 TRP 23 HD1 TRP 23 -11.383 -6.276 5.756 176 HE1 TRP 23 HE1 TRP 23 -11.840 -8.715 5.006 177 HE3 TRP 23 HE3 TRP 23 -11.419 -5.616 0.689 178 HZ2 TRP 23 HZ2 TRP 23 -12.177 -10.144 2.625 179 HZ3 TRP 23 HZ3 TRP 23 -11.823 -7.549 -0.750 180 HH2 TRP 23 HH2 TRP 23 -12.193 -9.780 0.204 181 H ALA 24 H ALA 24 -11.904 -1.396 3.660 182 HA ALA 24 HA ALA 24 -14.062 -1.492 5.512 183 HB1 ALA 24 HB1 ALA 24 -12.032 -0.205 5.962 184 HB2 ALA 24 HB2 ALA 24 -13.474 0.814 6.051 185 HB3 ALA 24 HB3 ALA 24 -12.430 0.875 4.631 186 H LEU 25 H LEU 25 -13.549 0.487 2.601 187 HA LEU 25 HA LEU 25 -16.246 1.521 2.728 188 HB2 LEU 25 HB2 LEU 25 -14.013 2.015 0.788 189 HB3 LEU 25 HB3 LEU 25 -15.573 2.822 0.723 190 HG LEU 25 HG LEU 25 -13.592 2.997 2.982 191 HD11 LEU 25 HD11 LEU 25 -12.781 4.122 0.975 192 HD12 LEU 25 HD12 LEU 25 -13.228 5.284 2.225 193 HD13 LEU 25 HD13 LEU 25 -14.306 5.007 0.853 194 HD21 LEU 25 HD21 LEU 25 -15.027 4.823 3.785 195 HD22 LEU 25 HD22 LEU 25 -15.866 3.281 3.786 196 HD23 LEU 25 HD23 LEU 25 -16.193 4.464 2.516 197 H LEU 26 H LEU 26 -14.567 -0.814 0.701 198 HA LEU 26 HA LEU 26 -16.743 -0.827 -1.207 199 HB2 LEU 26 HB2 LEU 26 -14.423 -0.851 -1.970 200 HB3 LEU 26 HB3 LEU 26 -14.156 -2.326 -1.082 201 HG LEU 26 HG LEU 26 -15.819 -3.427 -2.526 202 HD11 LEU 26 HD11 LEU 26 -16.994 -1.496 -3.424 203 HD12 LEU 26 HD12 LEU 26 -16.311 -2.446 -4.737 204 HD13 LEU 26 HD13 LEU 26 -15.521 -0.949 -4.228 205 HD21 LEU 26 HD21 LEU 26 -13.478 -3.835 -2.845 206 HD22 LEU 26 HD22 LEU 26 -13.306 -2.354 -3.793 207 HD23 LEU 26 HD23 LEU 26 -14.241 -3.701 -4.429 208 H ALA 27 H ALA 27 -15.860 -2.529 1.518 209 HA ALA 27 HA ALA 27 -17.433 -4.854 0.690 210 HB1 ALA 27 HB1 ALA 27 -15.178 -5.389 1.477 211 HB2 ALA 27 HB2 ALA 27 -16.412 -6.073 2.541 212 HB3 ALA 27 HB3 ALA 27 -15.544 -4.625 3.019 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 15.036 -6.941 -2.004 2 H2 ARG 1 HT2 ARG 1 16.379 -7.941 -2.100 3 H3 ARG 1 HT3 ARG 1 15.723 -7.274 -3.495 4 HA ARG 1 HA ARG 1 16.951 -5.735 -1.307 5 HB2 ARG 1 HB2 ARG 1 18.001 -6.720 -3.930 6 HB3 ARG 1 HB3 ARG 1 18.625 -5.225 -3.241 7 HG2 ARG 1 HG2 ARG 1 19.399 -6.348 -1.320 8 HG3 ARG 1 HG3 ARG 1 18.576 -7.840 -1.752 9 HD2 ARG 1 HD2 ARG 1 20.974 -7.930 -2.210 10 HD3 ARG 1 HD3 ARG 1 20.031 -8.086 -3.691 11 HE ARG 1 HE ARG 1 20.637 -5.396 -3.397 12 HH11 ARG 1 HH11 ARG 1 22.461 -8.400 -3.846 13 HH12 ARG 1 HH12 ARG 1 23.749 -7.644 -4.656 14 HH21 ARG 1 HH21 ARG 1 22.392 -4.377 -4.522 15 HH22 ARG 1 HH22 ARG 1 23.685 -5.334 -5.085 16 H ASN 2 H ASN 2 14.343 -5.313 -2.336 17 HA ASN 2 HA ASN 2 14.706 -2.932 -3.984 18 HB2 ASN 2 HB2 ASN 2 12.377 -3.221 -4.667 19 HB3 ASN 2 HB3 ASN 2 13.301 -4.665 -5.040 20 HD21 ASN 2 HD21 ASN 2 10.443 -4.287 -4.669 21 HD22 ASN 2 HD22 ASN 2 9.953 -5.356 -3.409 22 H LYS 3 H LYS 3 14.550 -3.794 -0.918 23 HA LYS 3 HA LYS 3 12.368 -2.361 0.149 24 HB2 LYS 3 HB2 LYS 3 13.681 -4.093 1.385 25 HB3 LYS 3 HB3 LYS 3 15.005 -2.938 1.493 26 HG2 LYS 3 HG2 LYS 3 13.141 -1.397 2.503 27 HG3 LYS 3 HG3 LYS 3 12.366 -2.939 2.858 28 HD2 LYS 3 HD2 LYS 3 13.680 -2.215 4.763 29 HD3 LYS 3 HD3 LYS 3 14.417 -3.648 4.043 30 HE2 LYS 3 HE2 LYS 3 16.123 -2.377 3.006 31 HE3 LYS 3 HE3 LYS 3 15.283 -0.861 3.292 32 HZ1 LYS 3 HZ1 LYS 3 16.463 -2.603 5.389 33 HZ2 LYS 3 HZ2 LYS 3 15.690 -1.135 5.637 34 HZ3 LYS 3 HZ3 LYS 3 17.146 -1.192 4.774 35 H LEU 4 H LEU 4 12.132 -0.249 0.453 36 HA LEU 4 HA LEU 4 14.265 1.632 0.802 37 HB2 LEU 4 HB2 LEU 4 14.331 1.169 -1.627 38 HB3 LEU 4 HB3 LEU 4 12.643 1.620 -1.760 39 HG LEU 4 HG LEU 4 13.327 3.938 -0.984 40 HD11 LEU 4 HD11 LEU 4 15.663 4.574 -1.200 41 HD12 LEU 4 HD12 LEU 4 16.080 2.914 -1.602 42 HD13 LEU 4 HD13 LEU 4 15.479 3.292 0.005 43 HD21 LEU 4 HD21 LEU 4 14.155 4.609 -3.177 44 HD22 LEU 4 HD22 LEU 4 12.835 3.451 -3.319 45 HD23 LEU 4 HD23 LEU 4 14.504 2.931 -3.576 46 H ALA 5 H ALA 5 13.307 3.770 1.100 47 HA ALA 5 HA ALA 5 10.988 3.793 2.616 48 HB1 ALA 5 HB1 ALA 5 12.714 5.496 2.737 49 HB2 ALA 5 HB2 ALA 5 11.133 6.236 2.465 50 HB3 ALA 5 HB3 ALA 5 12.281 6.060 1.127 51 H TYR 6 H TYR 6 11.465 4.529 -0.729 52 HA TYR 6 HA TYR 6 8.707 5.151 -1.098 53 HB2 TYR 6 HB2 TYR 6 10.929 4.890 -3.094 54 HB3 TYR 6 HB3 TYR 6 9.259 5.049 -3.604 55 HD1 TYR 6 HD1 TYR 6 11.956 6.777 -1.736 56 HD2 TYR 6 HD2 TYR 6 8.124 7.069 -3.549 57 HE1 TYR 6 HE1 TYR 6 12.034 9.230 -1.502 58 HE2 TYR 6 HE2 TYR 6 8.190 9.498 -3.329 59 HH TYR 6 HH TYR 6 10.992 11.175 -2.616 60 H ASN 7 H ASN 7 10.398 2.299 -1.002 61 HA ASN 7 HA ASN 7 8.496 0.763 -2.539 62 HB2 ASN 7 HB2 ASN 7 10.690 -0.169 -2.421 63 HB3 ASN 7 HB3 ASN 7 10.731 -0.028 -0.670 64 HD21 ASN 7 HD21 ASN 7 9.690 -1.979 -3.376 65 HD22 ASN 7 HD22 ASN 7 9.109 -3.281 -2.411 66 H MET 8 H MET 8 9.333 0.825 0.889 67 HA MET 8 HA MET 8 6.800 -0.348 1.458 68 HB2 MET 8 HB2 MET 8 8.611 -1.169 2.780 69 HB3 MET 8 HB3 MET 8 9.013 0.435 3.338 70 HG2 MET 8 HG2 MET 8 7.843 -1.028 5.013 71 HG3 MET 8 HG3 MET 8 7.119 0.550 4.736 72 HE1 MET 8 HE1 MET 8 5.286 -3.248 2.822 73 HE2 MET 8 HE2 MET 8 6.794 -3.342 3.744 74 HE3 MET 8 HE3 MET 8 6.741 -2.471 2.205 75 H GLY 9 H GLY 9 8.200 2.764 2.498 76 HA2 GLY 9 HA2 GLY 9 5.876 3.512 3.939 77 HA3 GLY 9 HA3 GLY 9 7.193 4.569 3.482 78 H HIS 10 H HIS 10 7.004 4.342 0.731 79 HA HIS 10 HA HIS 10 4.863 6.179 0.187 80 HB2 HIS 10 HB2 HIS 10 7.015 6.181 -0.997 81 HB3 HIS 10 HB3 HIS 10 6.563 4.663 -1.800 82 HD1 HIS 10 HD1 HIS 10 5.216 8.159 -1.368 83 HD2 HIS 10 HD2 HIS 10 5.489 5.134 -4.160 84 HE1 HIS 10 HE1 HIS 10 4.071 9.033 -3.354 85 H TYR 11 H TYR 11 5.315 2.724 -0.613 86 HA TYR 11 HA TYR 11 2.791 2.572 -1.862 87 HB2 TYR 11 HB2 TYR 11 4.680 0.509 -0.864 88 HB3 TYR 11 HB3 TYR 11 3.043 0.045 -1.300 89 HD1 TYR 11 HD1 TYR 11 6.047 1.760 -2.652 90 HD2 TYR 11 HD2 TYR 11 2.506 -0.405 -3.475 91 HE1 TYR 11 HE1 TYR 11 6.721 1.593 -5.001 92 HE2 TYR 11 HE2 TYR 11 3.164 -0.599 -5.851 93 HH TYR 11 HH TYR 11 4.613 0.473 -7.452 94 H ALA 12 H ALA 12 3.821 2.029 1.463 95 HA ALA 12 HA ALA 12 1.476 0.933 2.466 96 HB1 ALA 12 HB1 ALA 12 3.308 2.898 3.857 97 HB2 ALA 12 HB2 ALA 12 3.544 1.154 3.779 98 HB3 ALA 12 HB3 ALA 12 2.153 1.817 4.641 99 H GLY 13 H GLY 13 2.358 4.296 2.001 100 HA2 GLY 13 HA2 GLY 13 0.018 5.455 3.026 101 HA3 GLY 13 HA3 GLY 13 1.074 6.185 1.830 102 H LYS 14 H LYS 14 0.833 4.434 -0.259 103 HA LYS 14 HA LYS 14 -1.675 5.421 -1.249 104 HB2 LYS 14 HB2 LYS 14 0.564 3.952 -2.596 105 HB3 LYS 14 HB3 LYS 14 -0.993 4.045 -3.384 106 HG2 LYS 14 HG2 LYS 14 0.269 5.757 -4.364 107 HG3 LYS 14 HG3 LYS 14 -0.731 6.599 -3.190 108 HD2 LYS 14 HD2 LYS 14 2.095 5.744 -2.597 109 HD3 LYS 14 HD3 LYS 14 1.750 7.253 -3.426 110 HE2 LYS 14 HE2 LYS 14 0.759 6.495 -0.668 111 HE3 LYS 14 HE3 LYS 14 2.139 7.530 -1.003 112 HZ1 LYS 14 HZ1 LYS 14 -0.643 8.119 -1.823 113 HZ2 LYS 14 HZ2 LYS 14 0.695 9.145 -1.976 114 HZ3 LYS 14 HZ3 LYS 14 0.120 8.738 -0.471 115 H ALA 15 H ALA 15 -0.415 2.300 -0.355 116 HA ALA 15 HA ALA 15 -2.550 0.823 -1.418 117 HB1 ALA 15 HB1 ALA 15 -0.636 0.029 0.785 118 HB2 ALA 15 HB2 ALA 15 -0.396 -0.242 -0.939 119 HB3 ALA 15 HB3 ALA 15 -1.726 -1.044 -0.089 120 H THR 16 H THR 16 -2.013 2.370 1.656 121 HA THR 16 HA THR 16 -4.281 1.090 2.826 122 HB THR 16 HB THR 16 -2.928 3.594 3.854 123 HG1 THR 16 HG1 THR 16 -1.364 2.031 3.761 124 HG21 THR 16 HG21 THR 16 -3.801 2.795 6.027 125 HG22 THR 16 HG22 THR 16 -4.513 1.407 5.190 126 HG23 THR 16 HG23 THR 16 -5.113 3.030 4.858 127 H ILE 17 H ILE 17 -3.761 4.220 1.236 128 HA ILE 17 HA ILE 17 -6.499 4.846 1.758 129 HB ILE 17 HB ILE 17 -5.013 6.740 1.615 130 HG12 ILE 17 HG12 ILE 17 -6.937 6.693 -0.716 131 HG13 ILE 17 HG13 ILE 17 -7.333 7.093 0.950 132 HG21 ILE 17 HG21 ILE 17 -4.490 5.977 -1.254 133 HG22 ILE 17 HG22 ILE 17 -3.344 5.890 0.083 134 HG23 ILE 17 HG23 ILE 17 -3.942 7.457 -0.467 135 HD11 ILE 17 HD11 ILE 17 -5.893 9.080 0.786 136 HD12 ILE 17 HD12 ILE 17 -7.194 9.084 -0.395 137 HD13 ILE 17 HD13 ILE 17 -5.554 8.670 -0.895 138 H PHE 18 H PHE 18 -4.806 3.929 -1.235 139 HA PHE 18 HA PHE 18 -7.320 3.816 -2.594 140 HB2 PHE 18 HB2 PHE 18 -4.563 3.102 -3.532 141 HB3 PHE 18 HB3 PHE 18 -6.020 3.107 -4.542 142 HD1 PHE 18 HD1 PHE 18 -7.420 5.369 -4.215 143 HD2 PHE 18 HD2 PHE 18 -3.245 4.935 -3.713 144 HE1 PHE 18 HE1 PHE 18 -7.136 7.786 -4.660 145 HE2 PHE 18 HE2 PHE 18 -2.928 7.344 -4.148 146 HZ PHE 18 HZ PHE 18 -4.882 8.774 -4.621 147 H GLY 19 H GLY 19 -4.801 1.385 -2.068 148 HA2 GLY 19 HA2 GLY 19 -6.159 -0.851 -2.980 149 HA3 GLY 19 HA3 GLY 19 -4.875 -0.872 -1.785 150 H LEU 20 H LEU 20 -5.925 0.285 0.342 151 HA LEU 20 HA LEU 20 -7.592 -1.736 1.365 152 HB2 LEU 20 HB2 LEU 20 -6.050 0.148 2.483 153 HB3 LEU 20 HB3 LEU 20 -7.635 0.838 2.769 154 HG LEU 20 HG LEU 20 -8.211 -1.510 3.659 155 HD11 LEU 20 HD11 LEU 20 -5.227 -1.501 3.945 156 HD12 LEU 20 HD12 LEU 20 -6.165 -2.560 2.895 157 HD13 LEU 20 HD13 LEU 20 -6.324 -2.696 4.650 158 HD21 LEU 20 HD21 LEU 20 -7.468 -0.873 5.884 159 HD22 LEU 20 HD22 LEU 20 -8.197 0.472 5.001 160 HD23 LEU 20 HD23 LEU 20 -6.437 0.390 5.189 161 H ALA 21 H ALA 21 -8.358 1.412 -0.102 162 HA ALA 21 HA ALA 21 -11.040 1.528 0.798 163 HB1 ALA 21 HB1 ALA 21 -11.365 3.157 -0.998 164 HB2 ALA 21 HB2 ALA 21 -9.797 2.704 -1.678 165 HB3 ALA 21 HB3 ALA 21 -9.875 3.488 -0.110 166 H ALA 22 H ALA 22 -9.405 -0.164 -1.703 167 HA ALA 22 HA ALA 22 -11.668 -0.824 -3.242 168 HB1 ALA 22 HB1 ALA 22 -9.387 -1.057 -4.111 169 HB2 ALA 22 HB2 ALA 22 -10.294 -2.563 -4.238 170 HB3 ALA 22 HB3 ALA 22 -9.085 -2.370 -2.971 171 H TRP 23 H TRP 23 -10.246 -2.117 -0.354 172 HA TRP 23 HA TRP 23 -12.056 -4.379 -0.446 173 HB2 TRP 23 HB2 TRP 23 -9.474 -4.126 0.578 174 HB3 TRP 23 HB3 TRP 23 -10.509 -4.118 1.982 175 HD1 TRP 23 HD1 TRP 23 -10.426 -6.507 2.922 176 HE1 TRP 23 HE1 TRP 23 -10.958 -8.857 1.965 177 HE3 TRP 23 HE3 TRP 23 -11.053 -5.279 -2.012 178 HZ2 TRP 23 HZ2 TRP 23 -11.574 -10.004 -0.541 179 HZ3 TRP 23 HZ3 TRP 23 -11.624 -7.011 -3.602 180 HH2 TRP 23 HH2 TRP 23 -11.880 -9.348 -2.894 181 H ALA 24 H ALA 24 -11.534 -1.503 1.458 182 HA ALA 24 HA ALA 24 -13.691 -2.086 3.224 183 HB1 ALA 24 HB1 ALA 24 -11.788 -0.720 3.935 184 HB2 ALA 24 HB2 ALA 24 -13.302 0.147 4.140 185 HB3 ALA 24 HB3 ALA 24 -12.246 0.519 2.773 186 H LEU 25 H LEU 25 -13.299 0.424 0.723 187 HA LEU 25 HA LEU 25 -16.067 1.145 0.922 188 HB2 LEU 25 HB2 LEU 25 -13.784 2.257 -0.676 189 HB3 LEU 25 HB3 LEU 25 -15.428 2.801 -0.918 190 HG LEU 25 HG LEU 25 -15.444 3.538 1.494 191 HD11 LEU 25 HD11 LEU 25 -13.644 2.148 2.360 192 HD12 LEU 25 HD12 LEU 25 -13.323 3.859 2.639 193 HD13 LEU 25 HD13 LEU 25 -12.482 3.006 1.347 194 HD21 LEU 25 HD21 LEU 25 -13.379 4.770 -0.311 195 HD22 LEU 25 HD22 LEU 25 -14.105 5.548 1.092 196 HD23 LEU 25 HD23 LEU 25 -15.110 5.109 -0.292 197 H LEU 26 H LEU 26 -14.131 -0.725 -1.311 198 HA LEU 26 HA LEU 26 -16.212 -0.554 -3.349 199 HB2 LEU 26 HB2 LEU 26 -13.943 -0.102 -4.043 200 HB3 LEU 26 HB3 LEU 26 -13.437 -1.643 -3.387 201 HG LEU 26 HG LEU 26 -14.941 -2.726 -5.058 202 HD11 LEU 26 HD11 LEU 26 -15.444 -1.476 -7.103 203 HD12 LEU 26 HD12 LEU 26 -14.890 0.002 -6.320 204 HD13 LEU 26 HD13 LEU 26 -16.298 -0.860 -5.690 205 HD21 LEU 26 HD21 LEU 26 -13.271 -2.551 -6.879 206 HD22 LEU 26 HD22 LEU 26 -12.570 -2.829 -5.293 207 HD23 LEU 26 HD23 LEU 26 -12.511 -1.212 -6.007 208 H ALA 27 H ALA 27 -15.213 -2.654 -0.966 209 HA ALA 27 HA ALA 27 -16.381 -4.926 -2.415 210 HB1 ALA 27 HB1 ALA 27 -13.980 -5.146 -1.862 211 HB2 ALA 27 HB2 ALA 27 -14.981 -6.425 -1.191 212 HB3 ALA 27 HB3 ALA 27 -14.411 -5.113 -0.154 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 -10.867 -8.317 4.020 2 H2 ARG 1 HT2 ARG 1 -12.106 -7.481 4.815 3 H3 ARG 1 HT3 ARG 1 -11.135 -6.684 3.705 4 HA ARG 1 HA ARG 1 -11.948 -7.939 1.913 5 HB2 ARG 1 HB2 ARG 1 -13.714 -9.256 3.988 6 HB3 ARG 1 HB3 ARG 1 -13.906 -9.430 2.255 7 HG2 ARG 1 HG2 ARG 1 -11.788 -10.555 2.091 8 HG3 ARG 1 HG3 ARG 1 -11.479 -10.257 3.810 9 HD2 ARG 1 HD2 ARG 1 -13.833 -11.809 2.767 10 HD3 ARG 1 HD3 ARG 1 -12.332 -12.561 3.305 11 HE ARG 1 HE ARG 1 -12.838 -11.349 5.483 12 HH11 ARG 1 HH11 ARG 1 -15.440 -12.456 3.347 13 HH12 ARG 1 HH12 ARG 1 -16.525 -12.741 4.628 14 HH21 ARG 1 HH21 ARG 1 -14.269 -11.799 7.159 15 HH22 ARG 1 HH22 ARG 1 -15.859 -12.331 6.903 16 H ASN 2 H ASN 2 -12.324 -5.715 1.607 17 HA ASN 2 HA ASN 2 -15.108 -5.047 1.640 18 HB2 ASN 2 HB2 ASN 2 -14.300 -4.352 3.933 19 HB3 ASN 2 HB3 ASN 2 -13.134 -3.302 3.152 20 HD21 ASN 2 HD21 ASN 2 -15.390 -2.801 4.989 21 HD22 ASN 2 HD22 ASN 2 -16.325 -1.569 4.242 22 H LYS 3 H LYS 3 -15.416 -4.118 -0.313 23 HA LYS 3 HA LYS 3 -13.050 -3.070 -1.647 24 HB2 LYS 3 HB2 LYS 3 -14.651 -4.729 -2.758 25 HB3 LYS 3 HB3 LYS 3 -15.791 -3.396 -2.852 26 HG2 LYS 3 HG2 LYS 3 -13.622 -2.211 -3.901 27 HG3 LYS 3 HG3 LYS 3 -13.309 -3.883 -4.368 28 HD2 LYS 3 HD2 LYS 3 -14.521 -2.865 -6.144 29 HD3 LYS 3 HD3 LYS 3 -15.635 -3.938 -5.284 30 HE2 LYS 3 HE2 LYS 3 -16.575 -2.063 -4.079 31 HE3 LYS 3 HE3 LYS 3 -15.387 -0.997 -4.780 32 HZ1 LYS 3 HZ1 LYS 3 -17.514 -2.442 -6.261 33 HZ2 LYS 3 HZ2 LYS 3 -16.300 -1.569 -6.984 34 HZ3 LYS 3 HZ3 LYS 3 -17.427 -0.766 -6.027 35 H LEU 4 H LEU 4 -12.770 -1.081 -0.938 36 HA LEU 4 HA LEU 4 -14.956 0.875 -1.115 37 HB2 LEU 4 HB2 LEU 4 -14.944 -0.147 1.016 38 HB3 LEU 4 HB3 LEU 4 -13.264 0.282 1.312 39 HG LEU 4 HG LEU 4 -14.189 2.728 0.996 40 HD11 LEU 4 HD11 LEU 4 -16.489 2.987 1.748 41 HD12 LEU 4 HD12 LEU 4 -16.685 1.232 1.738 42 HD13 LEU 4 HD13 LEU 4 -16.373 2.092 0.234 43 HD21 LEU 4 HD21 LEU 4 -14.725 1.075 3.450 44 HD22 LEU 4 HD22 LEU 4 -14.673 2.838 3.412 45 HD23 LEU 4 HD23 LEU 4 -13.221 1.900 3.058 46 H ALA 5 H ALA 5 -14.135 3.067 -1.055 47 HA ALA 5 HA ALA 5 -11.811 3.449 -2.551 48 HB1 ALA 5 HB1 ALA 5 -13.297 5.455 -0.867 49 HB2 ALA 5 HB2 ALA 5 -13.699 5.011 -2.518 50 HB3 ALA 5 HB3 ALA 5 -12.175 5.841 -2.181 51 H TYR 6 H TYR 6 -12.392 3.595 0.848 52 HA TYR 6 HA TYR 6 -9.749 4.552 1.436 53 HB2 TYR 6 HB2 TYR 6 -11.874 3.474 3.275 54 HB3 TYR 6 HB3 TYR 6 -10.302 4.037 3.817 55 HD1 TYR 6 HD1 TYR 6 -13.534 5.092 2.424 56 HD2 TYR 6 HD2 TYR 6 -9.706 6.335 3.808 57 HE1 TYR 6 HE1 TYR 6 -14.325 7.408 2.527 58 HE2 TYR 6 HE2 TYR 6 -10.482 8.643 3.916 59 HH TYR 6 HH TYR 6 -13.803 9.477 3.639 60 H ASN 7 H ASN 7 -11.234 1.496 1.151 61 HA ASN 7 HA ASN 7 -9.067 0.155 2.481 62 HB2 ASN 7 HB2 ASN 7 -11.442 -0.757 2.365 63 HB3 ASN 7 HB3 ASN 7 -11.104 -1.167 0.690 64 HD21 ASN 7 HD21 ASN 7 -8.260 -1.980 1.331 65 HD22 ASN 7 HD22 ASN 7 -8.422 -3.496 2.122 66 H MET 8 H MET 8 -10.135 0.416 -0.880 67 HA MET 8 HA MET 8 -7.663 -0.772 -1.715 68 HB2 MET 8 HB2 MET 8 -9.754 -1.124 -3.016 69 HB3 MET 8 HB3 MET 8 -9.714 0.570 -3.465 70 HG2 MET 8 HG2 MET 8 -8.762 -0.365 -5.320 71 HG3 MET 8 HG3 MET 8 -7.335 -0.011 -4.359 72 HE1 MET 8 HE1 MET 8 -5.935 -1.882 -3.005 73 HE2 MET 8 HE2 MET 8 -6.257 -3.606 -3.131 74 HE3 MET 8 HE3 MET 8 -7.335 -2.594 -2.178 75 H GLY 9 H GLY 9 -9.029 2.485 -2.325 76 HA2 GLY 9 HA2 GLY 9 -6.654 3.429 -3.558 77 HA3 GLY 9 HA3 GLY 9 -8.045 4.377 -3.081 78 H HIS 10 H HIS 10 -8.004 3.984 -0.340 79 HA HIS 10 HA HIS 10 -6.003 5.936 0.375 80 HB2 HIS 10 HB2 HIS 10 -8.205 5.755 1.529 81 HB3 HIS 10 HB3 HIS 10 -7.667 4.242 2.253 82 HD1 HIS 10 HD1 HIS 10 -6.457 7.826 2.074 83 HD2 HIS 10 HD2 HIS 10 -6.668 4.632 4.696 84 HE1 HIS 10 HE1 HIS 10 -5.354 8.597 4.115 85 H TYR 11 H TYR 11 -6.244 2.455 0.861 86 HA TYR 11 HA TYR 11 -3.743 2.243 2.180 87 HB2 TYR 11 HB2 TYR 11 -5.554 0.331 0.857 88 HB3 TYR 11 HB3 TYR 11 -3.906 -0.183 1.184 89 HD1 TYR 11 HD1 TYR 11 -3.147 -0.490 3.427 90 HD2 TYR 11 HD2 TYR 11 -7.121 0.728 2.653 91 HE1 TYR 11 HE1 TYR 11 -3.726 -1.078 5.692 92 HE2 TYR 11 HE2 TYR 11 -7.758 0.144 4.969 93 HH TYR 11 HH TYR 11 -5.484 -0.501 7.369 94 H ALA 12 H ALA 12 -4.680 2.139 -1.223 95 HA ALA 12 HA ALA 12 -2.293 1.212 -2.286 96 HB1 ALA 12 HB1 ALA 12 -2.955 2.286 -4.363 97 HB2 ALA 12 HB2 ALA 12 -4.128 3.279 -3.488 98 HB3 ALA 12 HB3 ALA 12 -4.357 1.536 -3.590 99 H GLY 13 H GLY 13 -3.189 4.480 -1.360 100 HA2 GLY 13 HA2 GLY 13 -0.862 5.763 -2.294 101 HA3 GLY 13 HA3 GLY 13 -1.887 6.340 -0.983 102 H LYS 14 H LYS 14 -1.598 4.222 0.794 103 HA LYS 14 HA LYS 14 0.925 4.950 1.955 104 HB2 LYS 14 HB2 LYS 14 -1.346 3.218 2.875 105 HB3 LYS 14 HB3 LYS 14 0.185 3.178 3.721 106 HG2 LYS 14 HG2 LYS 14 -1.346 4.669 4.842 107 HG3 LYS 14 HG3 LYS 14 -0.017 5.597 4.153 108 HD2 LYS 14 HD2 LYS 14 -1.460 6.254 2.288 109 HD3 LYS 14 HD3 LYS 14 -2.785 5.322 2.969 110 HE2 LYS 14 HE2 LYS 14 -1.395 7.638 4.298 111 HE3 LYS 14 HE3 LYS 14 -2.979 7.704 3.523 112 HZ1 LYS 14 HZ1 LYS 14 -2.263 6.062 5.886 113 HZ2 LYS 14 HZ2 LYS 14 -3.785 6.129 5.197 114 HZ3 LYS 14 HZ3 LYS 14 -3.121 7.499 5.928 115 H ALA 15 H ALA 15 -0.393 2.075 0.497 116 HA ALA 15 HA ALA 15 1.804 0.413 1.109 117 HB1 ALA 15 HB1 ALA 15 0.871 -1.135 -0.480 118 HB2 ALA 15 HB2 ALA 15 -0.251 0.096 -1.072 119 HB3 ALA 15 HB3 ALA 15 -0.388 -0.510 0.587 120 H THR 16 H THR 16 1.178 2.602 -1.524 121 HA THR 16 HA THR 16 3.345 1.578 -3.046 122 HB THR 16 HB THR 16 2.085 4.318 -3.370 123 HG1 THR 16 HG1 THR 16 0.489 2.730 -3.610 124 HG21 THR 16 HG21 THR 16 4.220 4.018 -4.543 125 HG22 THR 16 HG22 THR 16 2.889 4.097 -5.705 126 HG23 THR 16 HG23 THR 16 3.616 2.542 -5.287 127 H ILE 17 H ILE 17 3.024 4.241 -0.709 128 HA ILE 17 HA ILE 17 5.777 4.872 -1.174 129 HB ILE 17 HB ILE 17 4.376 6.735 -0.540 130 HG12 ILE 17 HG12 ILE 17 5.699 7.696 1.356 131 HG13 ILE 17 HG13 ILE 17 6.394 6.101 1.615 132 HG21 ILE 17 HG21 ILE 17 3.423 7.018 1.709 133 HG22 ILE 17 HG22 ILE 17 3.889 5.355 2.085 134 HG23 ILE 17 HG23 ILE 17 2.706 5.674 0.818 135 HD11 ILE 17 HD11 ILE 17 6.667 7.754 -0.890 136 HD12 ILE 17 HD12 ILE 17 7.399 6.174 -0.601 137 HD13 ILE 17 HD13 ILE 17 7.890 7.569 0.365 138 H PHE 18 H PHE 18 4.089 3.355 1.566 139 HA PHE 18 HA PHE 18 6.585 2.785 2.844 140 HB2 PHE 18 HB2 PHE 18 3.787 1.978 3.598 141 HB3 PHE 18 HB3 PHE 18 5.231 1.685 4.561 142 HD1 PHE 18 HD1 PHE 18 6.743 4.001 4.560 143 HD2 PHE 18 HD2 PHE 18 2.506 3.686 4.468 144 HE1 PHE 18 HE1 PHE 18 6.558 6.247 5.584 145 HE2 PHE 18 HE2 PHE 18 2.306 5.919 5.487 146 HZ PHE 18 HZ PHE 18 4.344 7.205 6.037 147 H GLY 19 H GLY 19 4.039 0.806 1.439 148 HA2 GLY 19 HA2 GLY 19 5.229 -1.722 1.956 149 HA3 GLY 19 HA3 GLY 19 3.997 -1.366 0.748 150 H LEU 20 H LEU 20 5.050 0.142 -1.006 151 HA LEU 20 HA LEU 20 6.639 -1.561 -2.525 152 HB2 LEU 20 HB2 LEU 20 5.206 0.592 -3.086 153 HB3 LEU 20 HB3 LEU 20 6.805 1.317 -3.098 154 HG LEU 20 HG LEU 20 7.442 -0.588 -4.652 155 HD11 LEU 20 HD11 LEU 20 5.593 -1.501 -5.963 156 HD12 LEU 20 HD12 LEU 20 4.463 -0.589 -4.957 157 HD13 LEU 20 HD13 LEU 20 5.404 -1.895 -4.239 158 HD21 LEU 20 HD21 LEU 20 6.677 0.680 -6.592 159 HD22 LEU 20 HD22 LEU 20 7.278 1.748 -5.317 160 HD23 LEU 20 HD23 LEU 20 5.539 1.558 -5.564 161 H ALA 21 H ALA 21 7.581 1.027 -0.284 162 HA ALA 21 HA ALA 21 10.233 1.298 -1.084 163 HB1 ALA 21 HB1 ALA 21 9.043 1.605 1.676 164 HB2 ALA 21 HB2 ALA 21 9.166 2.875 0.459 165 HB3 ALA 21 HB3 ALA 21 10.625 2.184 1.171 166 H ALA 22 H ALA 22 8.616 -1.200 0.697 167 HA ALA 22 HA ALA 22 10.943 -2.297 1.880 168 HB1 ALA 22 HB1 ALA 22 8.319 -3.639 1.246 169 HB2 ALA 22 HB2 ALA 22 8.721 -2.804 2.754 170 HB3 ALA 22 HB3 ALA 22 9.579 -4.282 2.305 171 H TRP 23 H TRP 23 9.429 -2.586 -1.221 172 HA TRP 23 HA TRP 23 11.173 -4.790 -1.909 173 HB2 TRP 23 HB2 TRP 23 8.622 -4.074 -2.717 174 HB3 TRP 23 HB3 TRP 23 9.636 -3.709 -4.100 175 HD1 TRP 23 HD1 TRP 23 9.469 -5.706 -5.693 176 HE1 TRP 23 HE1 TRP 23 9.613 -8.284 -5.455 177 HE3 TRP 23 HE3 TRP 23 9.915 -6.023 -0.628 178 HZ2 TRP 23 HZ2 TRP 23 9.908 -10.163 -3.385 179 HZ3 TRP 23 HZ3 TRP 23 10.140 -8.202 0.413 180 HH2 TRP 23 HH2 TRP 23 10.143 -10.260 -0.939 181 H ALA 24 H ALA 24 10.693 -1.425 -2.715 182 HA ALA 24 HA ALA 24 12.791 -1.423 -4.638 183 HB1 ALA 24 HB1 ALA 24 12.462 0.959 -4.751 184 HB2 ALA 24 HB2 ALA 24 11.499 0.926 -3.274 185 HB3 ALA 24 HB3 ALA 24 10.898 0.143 -4.734 186 H LEU 25 H LEU 25 12.529 0.107 -1.450 187 HA LEU 25 HA LEU 25 15.313 0.817 -1.442 188 HB2 LEU 25 HB2 LEU 25 13.096 1.207 0.537 189 HB3 LEU 25 HB3 LEU 25 14.737 1.826 0.776 190 HG LEU 25 HG LEU 25 12.774 2.592 -1.386 191 HD11 LEU 25 HD11 LEU 25 13.785 4.109 1.009 192 HD12 LEU 25 HD12 LEU 25 12.153 3.494 0.777 193 HD13 LEU 25 HD13 LEU 25 12.768 4.779 -0.259 194 HD21 LEU 25 HD21 LEU 25 14.413 4.354 -1.963 195 HD22 LEU 25 HD22 LEU 25 15.015 2.734 -2.270 196 HD23 LEU 25 HD23 LEU 25 15.555 3.620 -0.838 197 H LEU 26 H LEU 26 13.325 -1.628 0.156 198 HA LEU 26 HA LEU 26 15.437 -2.210 2.062 199 HB2 LEU 26 HB2 LEU 26 13.135 -2.016 2.821 200 HB3 LEU 26 HB3 LEU 26 12.668 -3.309 1.736 201 HG LEU 26 HG LEU 26 14.202 -4.773 3.022 202 HD11 LEU 26 HD11 LEU 26 15.489 -3.091 4.148 203 HD12 LEU 26 HD12 LEU 26 14.679 -4.119 5.347 204 HD13 LEU 26 HD13 LEU 26 14.065 -2.503 5.006 205 HD21 LEU 26 HD21 LEU 26 11.747 -3.651 4.385 206 HD22 LEU 26 HD22 LEU 26 12.516 -5.185 4.783 207 HD23 LEU 26 HD23 LEU 26 11.800 -4.953 3.193 208 H ALA 27 H ALA 27 14.445 -3.349 -0.902 209 HA ALA 27 HA ALA 27 15.667 -5.960 -0.379 210 HB1 ALA 27 HB1 ALA 27 13.385 -6.073 -1.265 211 HB2 ALA 27 HB2 ALA 27 14.531 -6.804 -2.382 212 HB3 ALA 27 HB3 ALA 27 13.888 -5.195 -2.703 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 -13.537 -9.703 1.942 2 H2 ARG 1 HT2 ARG 1 -12.458 -8.549 2.395 3 H3 ARG 1 HT3 ARG 1 -11.875 -10.087 2.137 4 HA ARG 1 HA ARG 1 -11.257 -8.662 0.343 5 HB2 ARG 1 HB2 ARG 1 -13.677 -10.231 -0.680 6 HB3 ARG 1 HB3 ARG 1 -12.327 -9.660 -1.637 7 HG2 ARG 1 HG2 ARG 1 -11.949 -11.959 -1.398 8 HG3 ARG 1 HG3 ARG 1 -10.881 -11.219 -0.206 9 HD2 ARG 1 HD2 ARG 1 -12.819 -11.500 1.404 10 HD3 ARG 1 HD3 ARG 1 -13.487 -12.648 0.242 11 HE ARG 1 HE ARG 1 -11.030 -13.589 0.613 12 HH11 ARG 1 HH11 ARG 1 -13.537 -12.541 2.895 13 HH12 ARG 1 HH12 ARG 1 -12.934 -13.434 4.201 14 HH21 ARG 1 HH21 ARG 1 -10.202 -14.833 2.388 15 HH22 ARG 1 HH22 ARG 1 -10.946 -14.758 3.909 16 H ASN 2 H ASN 2 -11.596 -6.552 0.090 17 HA ASN 2 HA ASN 2 -14.372 -5.687 -0.260 18 HB2 ASN 2 HB2 ASN 2 -12.368 -4.220 1.482 19 HB3 ASN 2 HB3 ASN 2 -14.019 -3.724 1.149 20 HD21 ASN 2 HD21 ASN 2 -15.729 -4.928 2.110 21 HD22 ASN 2 HD22 ASN 2 -15.425 -5.922 3.500 22 H LYS 3 H LYS 3 -14.207 -5.242 -2.388 23 HA LYS 3 HA LYS 3 -12.054 -3.607 -3.367 24 HB2 LYS 3 HB2 LYS 3 -13.245 -5.254 -4.809 25 HB3 LYS 3 HB3 LYS 3 -14.707 -4.291 -4.667 26 HG2 LYS 3 HG2 LYS 3 -12.929 -2.426 -5.527 27 HG3 LYS 3 HG3 LYS 3 -12.303 -3.866 -6.322 28 HD2 LYS 3 HD2 LYS 3 -13.858 -2.863 -7.814 29 HD3 LYS 3 HD3 LYS 3 -14.639 -4.302 -7.153 30 HE2 LYS 3 HE2 LYS 3 -15.763 -2.852 -5.457 31 HE3 LYS 3 HE3 LYS 3 -15.059 -1.461 -6.251 32 HZ1 LYS 3 HZ1 LYS 3 -17.320 -1.849 -6.958 33 HZ2 LYS 3 HZ2 LYS 3 -16.923 -3.388 -7.502 34 HZ3 LYS 3 HZ3 LYS 3 -16.290 -2.025 -8.270 35 H LEU 4 H LEU 4 -12.036 -1.690 -2.480 36 HA LEU 4 HA LEU 4 -14.314 0.090 -2.768 37 HB2 LEU 4 HB2 LEU 4 -14.550 -0.929 -0.516 38 HB3 LEU 4 HB3 LEU 4 -12.923 -0.408 -0.131 39 HG LEU 4 HG LEU 4 -13.693 1.950 -0.393 40 HD11 LEU 4 HD11 LEU 4 -16.095 2.414 -0.335 41 HD12 LEU 4 HD12 LEU 4 -16.412 0.691 -0.583 42 HD13 LEU 4 HD13 LEU 4 -15.595 1.625 -1.831 43 HD21 LEU 4 HD21 LEU 4 -14.931 2.017 1.739 44 HD22 LEU 4 HD22 LEU 4 -13.506 0.993 1.809 45 HD23 LEU 4 HD23 LEU 4 -15.104 0.266 1.671 46 H ALA 5 H ALA 5 -13.655 2.235 -2.736 47 HA ALA 5 HA ALA 5 -11.201 2.890 -3.786 48 HB1 ALA 5 HB1 ALA 5 -13.177 4.323 -3.945 49 HB2 ALA 5 HB2 ALA 5 -11.801 5.220 -3.319 50 HB3 ALA 5 HB3 ALA 5 -13.066 4.667 -2.222 51 H TYR 6 H TYR 6 -12.271 3.162 -0.508 52 HA TYR 6 HA TYR 6 -9.830 4.172 0.487 53 HB2 TYR 6 HB2 TYR 6 -12.132 2.913 1.903 54 HB3 TYR 6 HB3 TYR 6 -10.719 3.536 2.756 55 HD1 TYR 6 HD1 TYR 6 -10.161 5.936 2.599 56 HD2 TYR 6 HD2 TYR 6 -13.816 4.390 1.090 57 HE1 TYR 6 HE1 TYR 6 -11.084 8.209 2.549 58 HE2 TYR 6 HE2 TYR 6 -14.760 6.664 1.040 59 HH TYR 6 HH TYR 6 -14.378 8.850 2.120 60 H ASN 7 H ASN 7 -10.912 0.948 -0.020 61 HA ASN 7 HA ASN 7 -8.761 -0.120 1.575 62 HB2 ASN 7 HB2 ASN 7 -10.843 -1.472 1.275 63 HB3 ASN 7 HB3 ASN 7 -10.428 -1.655 -0.433 64 HD21 ASN 7 HD21 ASN 7 -10.213 -3.894 -0.261 65 HD22 ASN 7 HD22 ASN 7 -8.860 -4.625 0.546 66 H MET 8 H MET 8 -9.518 -0.037 -1.852 67 HA MET 8 HA MET 8 -6.923 -1.046 -2.463 68 HB2 MET 8 HB2 MET 8 -9.143 -0.145 -4.266 69 HB3 MET 8 HB3 MET 8 -7.597 -0.735 -4.849 70 HG2 MET 8 HG2 MET 8 -9.343 -2.370 -3.037 71 HG3 MET 8 HG3 MET 8 -9.565 -2.367 -4.775 72 HE1 MET 8 HE1 MET 8 -6.032 -4.343 -2.489 73 HE2 MET 8 HE2 MET 8 -7.279 -3.349 -1.733 74 HE3 MET 8 HE3 MET 8 -5.943 -2.610 -2.635 75 H GLY 9 H GLY 9 -8.508 2.051 -3.271 76 HA2 GLY 9 HA2 GLY 9 -6.125 3.038 -4.460 77 HA3 GLY 9 HA3 GLY 9 -7.578 3.959 -4.103 78 H HIS 10 H HIS 10 -7.672 3.556 -1.317 79 HA HIS 10 HA HIS 10 -5.831 5.610 -0.558 80 HB2 HIS 10 HB2 HIS 10 -8.075 5.382 0.414 81 HB3 HIS 10 HB3 HIS 10 -7.578 3.899 1.223 82 HD1 HIS 10 HD1 HIS 10 -5.953 7.309 0.999 83 HD2 HIS 10 HD2 HIS 10 -7.218 4.532 3.791 84 HE1 HIS 10 HE1 HIS 10 -5.238 8.205 3.183 85 H TYR 11 H TYR 11 -5.847 2.116 0.149 86 HA TYR 11 HA TYR 11 -3.402 2.308 1.634 87 HB2 TYR 11 HB2 TYR 11 -4.856 -0.005 0.466 88 HB3 TYR 11 HB3 TYR 11 -3.284 -0.214 1.204 89 HD1 TYR 11 HD1 TYR 11 -2.999 -0.106 3.595 90 HD2 TYR 11 HD2 TYR 11 -6.807 0.566 1.863 91 HE1 TYR 11 HE1 TYR 11 -4.049 -0.371 5.811 92 HE2 TYR 11 HE2 TYR 11 -7.872 0.309 4.077 93 HH TYR 11 HH TYR 11 -6.094 0.305 6.938 94 H ALA 12 H ALA 12 -4.163 1.846 -1.746 95 HA ALA 12 HA ALA 12 -1.800 0.684 -2.640 96 HB1 ALA 12 HB1 ALA 12 -3.765 0.997 -4.073 97 HB2 ALA 12 HB2 ALA 12 -2.292 1.600 -4.828 98 HB3 ALA 12 HB3 ALA 12 -3.445 2.730 -4.112 99 H GLY 13 H GLY 13 -2.552 4.082 -2.187 100 HA2 GLY 13 HA2 GLY 13 -0.086 5.051 -3.145 101 HA3 GLY 13 HA3 GLY 13 -1.156 5.909 -2.044 102 H LYS 14 H LYS 14 -1.145 4.129 0.097 103 HA LYS 14 HA LYS 14 1.276 5.119 1.274 104 HB2 LYS 14 HB2 LYS 14 -1.127 3.763 2.433 105 HB3 LYS 14 HB3 LYS 14 0.333 3.936 3.383 106 HG2 LYS 14 HG2 LYS 14 -1.203 5.753 3.905 107 HG3 LYS 14 HG3 LYS 14 0.224 6.371 3.089 108 HD2 LYS 14 HD2 LYS 14 -1.008 6.457 0.993 109 HD3 LYS 14 HD3 LYS 14 -2.453 5.854 1.799 110 HE2 LYS 14 HE2 LYS 14 -2.522 7.839 3.210 111 HE3 LYS 14 HE3 LYS 14 -1.009 8.403 2.497 112 HZ1 LYS 14 HZ1 LYS 14 -2.984 9.474 1.561 113 HZ2 LYS 14 HZ2 LYS 14 -3.501 7.998 0.949 114 HZ3 LYS 14 HZ3 LYS 14 -2.072 8.688 0.411 115 H ALA 15 H ALA 15 0.038 1.942 0.505 116 HA ALA 15 HA ALA 15 2.142 0.605 1.854 117 HB1 ALA 15 HB1 ALA 15 1.408 -1.399 0.697 118 HB2 ALA 15 HB2 ALA 15 0.371 -0.432 -0.355 119 HB3 ALA 15 HB3 ALA 15 0.027 -0.531 1.377 120 H THR 16 H THR 16 1.749 1.817 -1.373 121 HA THR 16 HA THR 16 4.054 0.474 -2.336 122 HB THR 16 HB THR 16 2.657 2.828 -3.625 123 HG1 THR 16 HG1 THR 16 1.081 1.382 -3.567 124 HG21 THR 16 HG21 THR 16 4.843 2.242 -4.582 125 HG22 THR 16 HG22 THR 16 3.533 1.802 -5.696 126 HG23 THR 16 HG23 THR 16 4.329 0.563 -4.723 127 H ILE 17 H ILE 17 3.426 3.775 -1.115 128 HA ILE 17 HA ILE 17 6.159 4.400 -1.650 129 HB ILE 17 HB ILE 17 4.576 6.272 -1.743 130 HG12 ILE 17 HG12 ILE 17 5.794 7.925 -0.295 131 HG13 ILE 17 HG13 ILE 17 6.608 6.570 0.467 132 HG21 ILE 17 HG21 ILE 17 3.580 7.260 0.262 133 HG22 ILE 17 HG22 ILE 17 4.161 5.896 1.210 134 HG23 ILE 17 HG23 ILE 17 2.973 5.640 -0.072 135 HD11 ILE 17 HD11 ILE 17 7.632 5.951 -1.643 136 HD12 ILE 17 HD12 ILE 17 8.003 7.623 -1.232 137 HD13 ILE 17 HD13 ILE 17 6.778 7.262 -2.453 138 H PHE 18 H PHE 18 4.370 3.825 1.377 139 HA PHE 18 HA PHE 18 6.785 3.981 2.914 140 HB2 PHE 18 HB2 PHE 18 4.015 3.177 3.766 141 HB3 PHE 18 HB3 PHE 18 5.381 3.513 4.835 142 HD1 PHE 18 HD1 PHE 18 6.585 5.837 3.818 143 HD2 PHE 18 HD2 PHE 18 2.469 4.858 3.975 144 HE1 PHE 18 HE1 PHE 18 6.027 8.248 3.854 145 HE2 PHE 18 HE2 PHE 18 1.887 7.260 4.006 146 HZ PHE 18 HZ PHE 18 3.674 8.954 3.949 147 H GLY 19 H GLY 19 4.420 1.392 2.431 148 HA2 GLY 19 HA2 GLY 19 5.842 -0.593 3.824 149 HA3 GLY 19 HA3 GLY 19 4.603 -0.903 2.616 150 H LEU 20 H LEU 20 5.591 -0.109 0.342 151 HA LEU 20 HA LEU 20 7.508 -2.031 -0.259 152 HB2 LEU 20 HB2 LEU 20 6.184 0.033 -1.808 153 HB3 LEU 20 HB3 LEU 20 7.794 -0.387 -2.390 154 HG LEU 20 HG LEU 20 7.073 -2.738 -2.283 155 HD11 LEU 20 HD11 LEU 20 4.670 -3.247 -2.419 156 HD12 LEU 20 HD12 LEU 20 4.303 -1.546 -2.216 157 HD13 LEU 20 HD13 LEU 20 5.066 -2.446 -0.892 158 HD21 LEU 20 HD21 LEU 20 5.797 -0.863 -4.236 159 HD22 LEU 20 HD22 LEU 20 5.923 -2.615 -4.464 160 HD23 LEU 20 HD23 LEU 20 7.386 -1.625 -4.298 161 H ALA 21 H ALA 21 7.973 1.242 0.639 162 HA ALA 21 HA ALA 21 10.658 1.499 -0.150 163 HB1 ALA 21 HB1 ALA 21 9.436 2.700 2.335 164 HB2 ALA 21 HB2 ALA 21 9.367 3.406 0.721 165 HB3 ALA 21 HB3 ALA 21 10.922 3.208 1.531 166 H ALA 22 H ALA 22 9.264 -0.373 2.436 167 HA ALA 22 HA ALA 22 11.739 -0.631 3.835 168 HB1 ALA 22 HB1 ALA 22 9.294 -2.385 3.984 169 HB2 ALA 22 HB2 ALA 22 9.607 -0.961 4.991 170 HB3 ALA 22 HB3 ALA 22 10.666 -2.377 5.092 171 H TRP 23 H TRP 23 10.147 -2.384 1.275 172 HA TRP 23 HA TRP 23 12.232 -4.382 1.449 173 HB2 TRP 23 HB2 TRP 23 9.571 -4.621 0.742 174 HB3 TRP 23 HB3 TRP 23 10.427 -4.691 -0.791 175 HD1 TRP 23 HD1 TRP 23 10.610 -7.182 -1.405 176 HE1 TRP 23 HE1 TRP 23 11.500 -9.314 -0.209 177 HE3 TRP 23 HE3 TRP 23 11.497 -5.232 3.244 178 HZ2 TRP 23 HZ2 TRP 23 12.459 -10.035 2.336 179 HZ3 TRP 23 HZ3 TRP 23 12.402 -6.678 4.974 180 HH2 TRP 23 HH2 TRP 23 12.876 -9.029 4.549 181 H ALA 24 H ALA 24 11.131 -1.942 -0.819 182 HA ALA 24 HA ALA 24 13.212 -2.487 -2.664 183 HB1 ALA 24 HB1 ALA 24 12.468 -0.484 -3.797 184 HB2 ALA 24 HB2 ALA 24 11.549 -0.004 -2.369 185 HB3 ALA 24 HB3 ALA 24 11.071 -1.436 -3.276 186 H LEU 25 H LEU 25 12.712 0.198 -0.389 187 HA LEU 25 HA LEU 25 15.282 1.322 -1.055 188 HB2 LEU 25 HB2 LEU 25 13.158 2.595 -0.673 189 HB3 LEU 25 HB3 LEU 25 13.357 2.271 1.016 190 HG LEU 25 HG LEU 25 15.519 3.475 1.033 191 HD11 LEU 25 HD11 LEU 25 16.157 3.192 -1.310 192 HD12 LEU 25 HD12 LEU 25 16.111 4.898 -0.887 193 HD13 LEU 25 HD13 LEU 25 14.785 4.182 -1.800 194 HD21 LEU 25 HD21 LEU 25 13.455 4.642 1.660 195 HD22 LEU 25 HD22 LEU 25 13.193 5.069 -0.031 196 HD23 LEU 25 HD23 LEU 25 14.573 5.730 0.836 197 H LEU 26 H LEU 26 13.909 -0.409 1.671 198 HA LEU 26 HA LEU 26 16.184 0.223 3.353 199 HB2 LEU 26 HB2 LEU 26 13.952 0.339 4.314 200 HB3 LEU 26 HB3 LEU 26 13.669 -1.320 3.844 201 HG LEU 26 HG LEU 26 15.470 -1.994 5.384 202 HD11 LEU 26 HD11 LEU 26 16.116 -0.451 7.194 203 HD12 LEU 26 HD12 LEU 26 15.251 0.837 6.375 204 HD13 LEU 26 HD13 LEU 26 16.660 0.099 5.608 205 HD21 LEU 26 HD21 LEU 26 13.159 -2.290 5.986 206 HD22 LEU 26 HD22 LEU 26 13.050 -0.630 6.563 207 HD23 LEU 26 HD23 LEU 26 14.074 -1.794 7.407 208 H ALA 27 H ALA 27 15.240 -2.190 1.287 209 HA ALA 27 HA ALA 27 17.005 -4.122 2.625 210 HB1 ALA 27 HB1 ALA 27 15.967 -5.897 1.332 211 HB2 ALA 27 HB2 ALA 27 15.037 -4.712 0.420 212 HB3 ALA 27 HB3 ALA 27 14.726 -4.935 2.134 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 -13.568 -9.934 4.358 2 H2 ARG 1 HT2 ARG 1 -14.470 -9.687 2.930 3 H3 ARG 1 HT3 ARG 1 -15.050 -9.124 4.399 4 HA ARG 1 HA ARG 1 -13.338 -7.520 4.558 5 HB2 ARG 1 HB2 ARG 1 -12.475 -8.714 1.911 6 HB3 ARG 1 HB3 ARG 1 -11.902 -7.174 2.507 7 HG2 ARG 1 HG2 ARG 1 -10.826 -8.250 4.368 8 HG3 ARG 1 HG3 ARG 1 -11.492 -9.810 3.889 9 HD2 ARG 1 HD2 ARG 1 -10.254 -9.752 1.824 10 HD3 ARG 1 HD3 ARG 1 -9.639 -8.142 2.188 11 HE ARG 1 HE ARG 1 -8.775 -9.490 4.289 12 HH11 ARG 1 HH11 ARG 1 -8.713 -10.489 0.884 13 HH12 ARG 1 HH12 ARG 1 -7.218 -11.273 0.963 14 HH21 ARG 1 HH21 ARG 1 -6.678 -10.567 4.402 15 HH22 ARG 1 HH22 ARG 1 -6.008 -11.316 3.035 16 H ASN 2 H ASN 2 -13.325 -5.532 3.075 17 HA ASN 2 HA ASN 2 -15.430 -5.541 1.108 18 HB2 ASN 2 HB2 ASN 2 -16.554 -3.577 2.045 19 HB3 ASN 2 HB3 ASN 2 -16.578 -4.879 3.223 20 HD21 ASN 2 HD21 ASN 2 -15.429 -1.679 2.448 21 HD22 ASN 2 HD22 ASN 2 -14.808 -1.326 4.018 22 H LYS 3 H LYS 3 -15.419 -3.109 0.225 23 HA LYS 3 HA LYS 3 -12.572 -2.406 0.015 24 HB2 LYS 3 HB2 LYS 3 -13.630 -3.426 -2.048 25 HB3 LYS 3 HB3 LYS 3 -14.705 -2.046 -2.091 26 HG2 LYS 3 HG2 LYS 3 -12.482 -0.654 -2.120 27 HG3 LYS 3 HG3 LYS 3 -11.755 -2.173 -2.647 28 HD2 LYS 3 HD2 LYS 3 -12.317 -0.902 -4.567 29 HD3 LYS 3 HD3 LYS 3 -13.469 -2.237 -4.455 30 HE2 LYS 3 HE2 LYS 3 -15.093 -0.719 -3.344 31 HE3 LYS 3 HE3 LYS 3 -13.955 0.590 -3.493 32 HZ1 LYS 3 HZ1 LYS 3 -14.122 0.358 -5.935 33 HZ2 LYS 3 HZ2 LYS 3 -15.596 0.695 -5.216 34 HZ3 LYS 3 HZ3 LYS 3 -15.278 -0.856 -5.730 35 H LEU 4 H LEU 4 -12.267 -0.094 -0.433 36 HA LEU 4 HA LEU 4 -14.382 1.812 -0.062 37 HB2 LEU 4 HB2 LEU 4 -13.797 0.838 2.163 38 HB3 LEU 4 HB3 LEU 4 -12.193 1.532 2.008 39 HG LEU 4 HG LEU 4 -13.340 3.772 1.797 40 HD11 LEU 4 HD11 LEU 4 -15.576 2.992 1.289 41 HD12 LEU 4 HD12 LEU 4 -15.578 3.961 2.769 42 HD13 LEU 4 HD13 LEU 4 -15.670 2.205 2.869 43 HD21 LEU 4 HD21 LEU 4 -12.163 3.102 3.798 44 HD22 LEU 4 HD22 LEU 4 -13.601 2.272 4.391 45 HD23 LEU 4 HD23 LEU 4 -13.605 4.025 4.221 46 H ALA 5 H ALA 5 -13.416 3.970 -0.416 47 HA ALA 5 HA ALA 5 -11.371 3.802 -2.362 48 HB1 ALA 5 HB1 ALA 5 -12.438 6.316 -1.088 49 HB2 ALA 5 HB2 ALA 5 -13.216 5.476 -2.416 50 HB3 ALA 5 HB3 ALA 5 -11.610 6.182 -2.640 51 H TYR 6 H TYR 6 -11.436 4.888 0.907 52 HA TYR 6 HA TYR 6 -8.663 5.556 0.855 53 HB2 TYR 6 HB2 TYR 6 -10.538 5.259 3.190 54 HB3 TYR 6 HB3 TYR 6 -8.830 5.616 3.407 55 HD1 TYR 6 HD1 TYR 6 -12.036 6.877 2.424 56 HD2 TYR 6 HD2 TYR 6 -7.911 7.763 2.585 57 HE1 TYR 6 HE1 TYR 6 -12.551 9.241 2.066 58 HE2 TYR 6 HE2 TYR 6 -8.395 10.152 2.229 59 HH TYR 6 HH TYR 6 -11.508 11.407 2.513 60 H ASN 7 H ASN 7 -10.346 2.730 1.214 61 HA ASN 7 HA ASN 7 -8.235 1.236 2.473 62 HB2 ASN 7 HB2 ASN 7 -10.473 0.332 2.740 63 HB3 ASN 7 HB3 ASN 7 -10.724 0.319 1.008 64 HD21 ASN 7 HD21 ASN 7 -9.067 -1.211 3.644 65 HD22 ASN 7 HD22 ASN 7 -8.696 -2.681 2.835 66 H MET 8 H MET 8 -9.595 1.235 -0.766 67 HA MET 8 HA MET 8 -7.389 -0.288 -1.717 68 HB2 MET 8 HB2 MET 8 -9.672 -0.597 -2.610 69 HB3 MET 8 HB3 MET 8 -9.611 1.011 -3.288 70 HG2 MET 8 HG2 MET 8 -9.180 -0.313 -5.116 71 HG3 MET 8 HG3 MET 8 -7.565 0.152 -4.613 72 HE1 MET 8 HE1 MET 8 -6.200 -3.273 -3.109 73 HE2 MET 8 HE2 MET 8 -7.061 -2.149 -2.087 74 HE3 MET 8 HE3 MET 8 -5.896 -1.539 -3.271 75 H GLY 9 H GLY 9 -8.590 2.943 -2.605 76 HA2 GLY 9 HA2 GLY 9 -6.438 3.482 -4.335 77 HA3 GLY 9 HA3 GLY 9 -7.624 4.643 -3.746 78 H HIS 10 H HIS 10 -7.087 4.481 -1.029 79 HA HIS 10 HA HIS 10 -4.847 6.265 -0.902 80 HB2 HIS 10 HB2 HIS 10 -6.913 6.264 0.571 81 HB3 HIS 10 HB3 HIS 10 -6.174 4.935 1.463 82 HD1 HIS 10 HD1 HIS 10 -4.916 8.330 0.265 83 HD2 HIS 10 HD2 HIS 10 -5.124 5.989 3.688 84 HE1 HIS 10 HE1 HIS 10 -3.759 9.621 2.008 85 H TYR 11 H TYR 11 -5.293 2.866 0.107 86 HA TYR 11 HA TYR 11 -2.618 2.694 0.996 87 HB2 TYR 11 HB2 TYR 11 -4.726 0.631 0.564 88 HB3 TYR 11 HB3 TYR 11 -3.051 0.147 0.836 89 HD1 TYR 11 HD1 TYR 11 -6.022 1.578 2.328 90 HD2 TYR 11 HD2 TYR 11 -1.939 0.648 2.903 91 HE1 TYR 11 HE1 TYR 11 -6.291 1.902 4.787 92 HE2 TYR 11 HE2 TYR 11 -2.162 0.941 5.295 93 HH TYR 11 HH TYR 11 -5.227 1.304 6.818 94 H ALA 12 H ALA 12 -4.090 2.191 -2.119 95 HA ALA 12 HA ALA 12 -2.018 0.821 -3.360 96 HB1 ALA 12 HB1 ALA 12 -4.174 1.267 -4.432 97 HB2 ALA 12 HB2 ALA 12 -2.829 1.817 -5.437 98 HB3 ALA 12 HB3 ALA 12 -3.778 2.988 -4.511 99 H GLY 13 H GLY 13 -2.439 4.218 -2.663 100 HA2 GLY 13 HA2 GLY 13 -0.055 5.114 -3.968 101 HA3 GLY 13 HA3 GLY 13 -1.005 5.997 -2.770 102 H LYS 14 H LYS 14 -0.926 4.423 -0.658 103 HA LYS 14 HA LYS 14 1.469 5.209 0.495 104 HB2 LYS 14 HB2 LYS 14 -0.696 3.465 1.518 105 HB3 LYS 14 HB3 LYS 14 0.651 4.050 2.501 106 HG2 LYS 14 HG2 LYS 14 0.032 6.248 2.315 107 HG3 LYS 14 HG3 LYS 14 -0.944 5.957 0.879 108 HD2 LYS 14 HD2 LYS 14 -2.583 6.123 2.301 109 HD3 LYS 14 HD3 LYS 14 -2.172 4.429 2.597 110 HE2 LYS 14 HE2 LYS 14 -1.156 6.756 4.215 111 HE3 LYS 14 HE3 LYS 14 -2.519 5.753 4.698 112 HZ1 LYS 14 HZ1 LYS 14 -0.991 3.856 4.811 113 HZ2 LYS 14 HZ2 LYS 14 -0.491 5.121 5.808 114 HZ3 LYS 14 HZ3 LYS 14 0.297 4.849 4.375 115 H ALA 15 H ALA 15 0.380 2.038 -0.564 116 HA ALA 15 HA ALA 15 2.632 0.686 0.524 117 HB1 ALA 15 HB1 ALA 15 0.742 -0.208 -1.653 118 HB2 ALA 15 HB2 ALA 15 0.549 -0.503 0.075 119 HB3 ALA 15 HB3 ALA 15 1.909 -1.218 -0.801 120 H THR 16 H THR 16 2.000 2.359 -2.425 121 HA THR 16 HA THR 16 4.285 1.295 -3.744 122 HB THR 16 HB THR 16 2.718 3.784 -4.485 123 HG1 THR 16 HG1 THR 16 1.269 2.141 -4.658 124 HG21 THR 16 HG21 THR 16 4.519 1.955 -6.060 125 HG22 THR 16 HG22 THR 16 4.933 3.595 -5.551 126 HG23 THR 16 HG23 THR 16 3.645 3.337 -6.733 127 H ILE 17 H ILE 17 3.591 4.271 -1.936 128 HA ILE 17 HA ILE 17 6.265 5.158 -2.410 129 HB ILE 17 HB ILE 17 4.602 6.897 -2.144 130 HG12 ILE 17 HG12 ILE 17 5.619 8.300 -0.358 131 HG13 ILE 17 HG13 ILE 17 6.519 6.889 0.186 132 HG21 ILE 17 HG21 ILE 17 3.459 7.370 -0.027 133 HG22 ILE 17 HG22 ILE 17 4.088 5.852 0.620 134 HG23 ILE 17 HG23 ILE 17 2.996 5.839 -0.762 135 HD11 ILE 17 HD11 ILE 17 7.675 6.793 -1.947 136 HD12 ILE 17 HD12 ILE 17 7.876 8.379 -1.202 137 HD13 ILE 17 HD13 ILE 17 6.736 8.163 -2.535 138 H PHE 18 H PHE 18 4.621 3.955 0.525 139 HA PHE 18 HA PHE 18 7.104 3.926 1.960 140 HB2 PHE 18 HB2 PHE 18 4.400 2.883 2.757 141 HB3 PHE 18 HB3 PHE 18 5.809 3.018 3.810 142 HD1 PHE 18 HD1 PHE 18 2.813 4.533 3.136 143 HD2 PHE 18 HD2 PHE 18 6.936 5.464 3.490 144 HE1 PHE 18 HE1 PHE 18 2.232 6.849 3.682 145 HE2 PHE 18 HE2 PHE 18 6.368 7.796 4.041 146 HZ PHE 18 HZ PHE 18 4.002 8.493 4.134 147 H GLY 19 H GLY 19 4.799 1.376 1.123 148 HA2 GLY 19 HA2 GLY 19 6.294 -0.784 2.049 149 HA3 GLY 19 HA3 GLY 19 5.042 -0.886 0.823 150 H LEU 20 H LEU 20 5.977 0.346 -1.275 151 HA LEU 20 HA LEU 20 7.950 -1.353 -2.247 152 HB2 LEU 20 HB2 LEU 20 6.497 0.902 -3.318 153 HB3 LEU 20 HB3 LEU 20 8.141 0.721 -3.959 154 HG LEU 20 HG LEU 20 7.569 -1.634 -4.377 155 HD11 LEU 20 HD11 LEU 20 4.732 -0.641 -4.090 156 HD12 LEU 20 HD12 LEU 20 5.520 -1.788 -3.002 157 HD13 LEU 20 HD13 LEU 20 5.188 -2.240 -4.676 158 HD21 LEU 20 HD21 LEU 20 6.115 0.489 -5.898 159 HD22 LEU 20 HD22 LEU 20 6.432 -1.147 -6.503 160 HD23 LEU 20 HD23 LEU 20 7.777 -0.052 -6.139 161 H ALA 21 H ALA 21 8.343 1.776 -0.753 162 HA ALA 21 HA ALA 21 11.006 2.148 -1.557 163 HB1 ALA 21 HB1 ALA 21 9.716 3.937 -0.494 164 HB2 ALA 21 HB2 ALA 21 11.231 3.648 0.385 165 HB3 ALA 21 HB3 ALA 21 9.708 3.033 1.015 166 H ALA 22 H ALA 22 9.586 0.198 0.911 167 HA ALA 22 HA ALA 22 12.076 -0.487 2.194 168 HB1 ALA 22 HB1 ALA 22 9.446 -1.955 2.270 169 HB2 ALA 22 HB2 ALA 22 9.908 -0.656 3.368 170 HB3 ALA 22 HB3 ALA 22 10.815 -2.179 3.358 171 H TRP 23 H TRP 23 10.299 -1.758 -0.484 172 HA TRP 23 HA TRP 23 12.096 -4.019 -0.486 173 HB2 TRP 23 HB2 TRP 23 9.480 -3.793 -1.308 174 HB3 TRP 23 HB3 TRP 23 10.393 -3.741 -2.812 175 HD1 TRP 23 HD1 TRP 23 10.392 -6.105 -3.835 176 HE1 TRP 23 HE1 TRP 23 10.877 -8.470 -2.951 177 HE3 TRP 23 HE3 TRP 23 11.000 -5.017 1.130 178 HZ2 TRP 23 HZ2 TRP 23 11.453 -9.708 -0.485 179 HZ3 TRP 23 HZ3 TRP 23 11.539 -6.819 2.671 180 HH2 TRP 23 HH2 TRP 23 11.760 -9.141 1.883 181 H ALA 24 H ALA 24 11.471 -1.186 -2.463 182 HA ALA 24 HA ALA 24 13.523 -1.859 -4.305 183 HB1 ALA 24 HB1 ALA 24 13.111 0.252 -5.320 184 HB2 ALA 24 HB2 ALA 24 12.229 0.818 -3.903 185 HB3 ALA 24 HB3 ALA 24 11.566 -0.485 -4.896 186 H LEU 25 H LEU 25 13.331 0.575 -1.710 187 HA LEU 25 HA LEU 25 16.054 1.390 -2.144 188 HB2 LEU 25 HB2 LEU 25 13.870 2.318 -0.346 189 HB3 LEU 25 HB3 LEU 25 15.525 2.852 -0.053 190 HG LEU 25 HG LEU 25 15.473 3.835 -2.380 191 HD11 LEU 25 HD11 LEU 25 13.365 4.201 -3.464 192 HD12 LEU 25 HD12 LEU 25 12.533 3.264 -2.230 193 HD13 LEU 25 HD13 LEU 25 13.685 2.472 -3.313 194 HD21 LEU 25 HD21 LEU 25 15.144 5.211 -0.426 195 HD22 LEU 25 HD22 LEU 25 13.425 4.820 -0.414 196 HD23 LEU 25 HD23 LEU 25 14.108 5.761 -1.744 197 H LEU 26 H LEU 26 14.424 -0.694 0.170 198 HA LEU 26 HA LEU 26 16.703 -0.530 1.967 199 HB2 LEU 26 HB2 LEU 26 14.491 -0.228 2.913 200 HB3 LEU 26 HB3 LEU 26 13.999 -1.782 2.274 201 HG LEU 26 HG LEU 26 15.707 -2.817 3.719 202 HD11 LEU 26 HD11 LEU 26 16.446 -1.543 5.708 203 HD12 LEU 26 HD12 LEU 26 15.764 -0.084 4.979 204 HD13 LEU 26 HD13 LEU 26 17.102 -0.923 4.192 205 HD21 LEU 26 HD21 LEU 26 13.425 -1.347 5.025 206 HD22 LEU 26 HD22 LEU 26 14.302 -2.697 5.749 207 HD23 LEU 26 HD23 LEU 26 13.372 -2.946 4.282 208 H ALA 27 H ALA 27 15.388 -2.587 -0.287 209 HA ALA 27 HA ALA 27 16.723 -4.963 0.776 210 HB1 ALA 27 HB1 ALA 27 14.469 -5.206 -0.168 211 HB2 ALA 27 HB2 ALA 27 15.637 -6.231 -1.010 212 HB3 ALA 27 HB3 ALA 27 15.079 -4.725 -1.742 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 12.023 11.198 4.031 2 H2 ARG 1 HT2 ARG 1 12.716 9.843 4.799 3 H3 ARG 1 HT3 ARG 1 11.323 9.678 3.880 4 HA ARG 1 HA ARG 1 12.363 10.042 1.907 5 HB2 ARG 1 HB2 ARG 1 14.892 10.401 3.537 6 HB3 ARG 1 HB3 ARG 1 14.826 10.320 1.784 7 HG2 ARG 1 HG2 ARG 1 13.427 12.342 1.769 8 HG3 ARG 1 HG3 ARG 1 13.612 12.450 3.522 9 HD2 ARG 1 HD2 ARG 1 16.038 12.602 3.227 10 HD3 ARG 1 HD3 ARG 1 15.825 12.529 1.480 11 HE ARG 1 HE ARG 1 14.815 14.683 3.202 12 HH11 ARG 1 HH11 ARG 1 15.880 13.602 0.036 13 HH12 ARG 1 HH12 ARG 1 16.281 15.150 -0.549 14 HH21 ARG 1 HH21 ARG 1 15.350 16.862 2.379 15 HH22 ARG 1 HH22 ARG 1 16.005 17.021 0.815 16 H ASN 2 H ASN 2 11.749 8.041 1.550 17 HA ASN 2 HA ASN 2 13.450 5.867 2.463 18 HB2 ASN 2 HB2 ASN 2 10.457 6.028 2.906 19 HB3 ASN 2 HB3 ASN 2 11.371 4.532 2.991 20 HD21 ASN 2 HD21 ASN 2 12.561 4.114 4.788 21 HD22 ASN 2 HD22 ASN 2 12.519 5.086 6.207 22 H LYS 3 H LYS 3 13.445 4.147 1.030 23 HA LYS 3 HA LYS 3 11.486 3.950 -1.037 24 HB2 LYS 3 HB2 LYS 3 13.351 5.492 -1.889 25 HB3 LYS 3 HB3 LYS 3 14.419 4.104 -1.739 26 HG2 LYS 3 HG2 LYS 3 12.467 2.948 -3.112 27 HG3 LYS 3 HG3 LYS 3 12.206 4.618 -3.608 28 HD2 LYS 3 HD2 LYS 3 13.673 3.617 -5.232 29 HD3 LYS 3 HD3 LYS 3 14.653 4.686 -4.244 30 HE2 LYS 3 HE2 LYS 3 15.496 2.873 -2.943 31 HE3 LYS 3 HE3 LYS 3 14.356 1.754 -3.667 32 HZ1 LYS 3 HZ1 LYS 3 15.517 1.981 -5.764 33 HZ2 LYS 3 HZ2 LYS 3 16.573 1.536 -4.538 34 HZ3 LYS 3 HZ3 LYS 3 16.576 3.112 -5.093 35 H LEU 4 H LEU 4 11.076 1.814 -0.873 36 HA LEU 4 HA LEU 4 13.302 -0.054 -0.841 37 HB2 LEU 4 HB2 LEU 4 12.791 0.477 1.545 38 HB3 LEU 4 HB3 LEU 4 11.156 -0.107 1.300 39 HG LEU 4 HG LEU 4 12.185 -2.345 0.717 40 HD11 LEU 4 HD11 LEU 4 14.433 -2.781 1.534 41 HD12 LEU 4 HD12 LEU 4 14.623 -1.075 1.936 42 HD13 LEU 4 HD13 LEU 4 14.437 -1.567 0.256 43 HD21 LEU 4 HD21 LEU 4 12.616 -1.263 3.497 44 HD22 LEU 4 HD22 LEU 4 12.490 -2.969 3.059 45 HD23 LEU 4 HD23 LEU 4 11.104 -1.894 2.844 46 H ALA 5 H ALA 5 12.634 -2.128 -1.525 47 HA ALA 5 HA ALA 5 10.573 -2.205 -3.406 48 HB1 ALA 5 HB1 ALA 5 10.950 -4.618 -3.476 49 HB2 ALA 5 HB2 ALA 5 11.860 -4.517 -1.961 50 HB3 ALA 5 HB3 ALA 5 12.481 -3.741 -3.416 51 H TYR 6 H TYR 6 10.673 -3.143 -0.095 52 HA TYR 6 HA TYR 6 7.984 -4.126 -0.206 53 HB2 TYR 6 HB2 TYR 6 9.953 -4.012 2.057 54 HB3 TYR 6 HB3 TYR 6 8.277 -4.470 2.318 55 HD1 TYR 6 HD1 TYR 6 11.351 -5.418 0.446 56 HD2 TYR 6 HD2 TYR 6 7.502 -6.628 1.806 57 HE1 TYR 6 HE1 TYR 6 11.836 -7.731 -0.245 58 HE2 TYR 6 HE2 TYR 6 7.982 -8.938 1.132 59 HH TYR 6 HH TYR 6 11.108 -9.974 0.237 60 H ASN 7 H ASN 7 9.475 -1.193 0.618 61 HA ASN 7 HA ASN 7 7.204 -0.199 2.071 62 HB2 ASN 7 HB2 ASN 7 9.594 1.281 0.945 63 HB3 ASN 7 HB3 ASN 7 8.247 2.096 1.710 64 HD21 ASN 7 HD21 ASN 7 8.046 -0.159 3.717 65 HD22 ASN 7 HD22 ASN 7 9.299 0.178 4.823 66 H MET 8 H MET 8 8.549 0.516 -1.097 67 HA MET 8 HA MET 8 6.214 1.960 -1.826 68 HB2 MET 8 HB2 MET 8 8.383 2.605 -2.744 69 HB3 MET 8 HB3 MET 8 8.554 1.038 -3.499 70 HG2 MET 8 HG2 MET 8 7.959 2.356 -5.277 71 HG3 MET 8 HG3 MET 8 6.406 1.698 -4.794 72 HE1 MET 8 HE1 MET 8 5.662 3.761 -2.194 73 HE2 MET 8 HE2 MET 8 4.571 3.123 -3.421 74 HE3 MET 8 HE3 MET 8 4.664 4.861 -3.145 75 H GLY 9 H GLY 9 7.644 -1.042 -3.082 76 HA2 GLY 9 HA2 GLY 9 5.495 -1.487 -4.891 77 HA3 GLY 9 HA3 GLY 9 6.807 -2.595 -4.536 78 H HIS 10 H HIS 10 6.352 -2.977 -1.814 79 HA HIS 10 HA HIS 10 4.316 -4.979 -2.081 80 HB2 HIS 10 HB2 HIS 10 6.415 -5.119 -0.690 81 HB3 HIS 10 HB3 HIS 10 5.602 -4.097 0.502 82 HD1 HIS 10 HD1 HIS 10 4.570 -7.206 -1.435 83 HD2 HIS 10 HD2 HIS 10 4.731 -5.687 2.406 84 HE1 HIS 10 HE1 HIS 10 3.727 -9.012 0.002 85 H TYR 11 H TYR 11 4.476 -1.858 -0.423 86 HA TYR 11 HA TYR 11 1.855 -2.045 0.594 87 HB2 TYR 11 HB2 TYR 11 3.731 0.263 0.338 88 HB3 TYR 11 HB3 TYR 11 2.036 0.540 0.736 89 HD1 TYR 11 HD1 TYR 11 5.209 -0.693 1.904 90 HD2 TYR 11 HD2 TYR 11 1.090 -0.348 2.764 91 HE1 TYR 11 HE1 TYR 11 5.667 -1.231 4.297 92 HE2 TYR 11 HE2 TYR 11 1.492 -0.860 5.110 93 HH TYR 11 HH TYR 11 3.095 -1.933 6.463 94 H ALA 12 H ALA 12 3.061 -1.044 -2.499 95 HA ALA 12 HA ALA 12 0.800 0.306 -3.406 96 HB1 ALA 12 HB1 ALA 12 2.888 0.213 -4.698 97 HB2 ALA 12 HB2 ALA 12 1.530 -0.332 -5.678 98 HB3 ALA 12 HB3 ALA 12 2.643 -1.504 -4.977 99 H GLY 13 H GLY 13 1.504 -3.113 -3.167 100 HA2 GLY 13 HA2 GLY 13 -0.944 -3.980 -4.395 101 HA3 GLY 13 HA3 GLY 13 0.164 -4.984 -3.470 102 H LYS 14 H LYS 14 0.221 -3.689 -1.062 103 HA LYS 14 HA LYS 14 -2.101 -4.695 0.138 104 HB2 LYS 14 HB2 LYS 14 0.255 -3.238 1.188 105 HB3 LYS 14 HB3 LYS 14 -1.187 -3.269 2.189 106 HG2 LYS 14 HG2 LYS 14 0.288 -5.081 2.821 107 HG3 LYS 14 HG3 LYS 14 -1.178 -5.728 2.093 108 HD2 LYS 14 HD2 LYS 14 0.097 -5.929 -0.040 109 HD3 LYS 14 HD3 LYS 14 1.552 -5.494 0.866 110 HE2 LYS 14 HE2 LYS 14 -0.256 -7.830 1.400 111 HE3 LYS 14 HE3 LYS 14 1.336 -7.918 0.650 112 HZ1 LYS 14 HZ1 LYS 14 0.780 -7.018 3.432 113 HZ2 LYS 14 HZ2 LYS 14 2.296 -7.115 2.748 114 HZ3 LYS 14 HZ3 LYS 14 1.390 -8.509 3.005 115 H ALA 15 H ALA 15 -1.256 -1.376 -0.610 116 HA ALA 15 HA ALA 15 -3.564 -0.359 0.660 117 HB1 ALA 15 HB1 ALA 15 -3.066 1.726 -0.483 118 HB2 ALA 15 HB2 ALA 15 -1.841 0.904 -1.464 119 HB3 ALA 15 HB3 ALA 15 -1.626 1.051 0.284 120 H THR 16 H THR 16 -2.948 -1.689 -2.470 121 HA THR 16 HA THR 16 -5.402 -0.699 -3.504 122 HB THR 16 HB THR 16 -3.663 -2.921 -4.621 123 HG1 THR 16 HG1 THR 16 -2.456 -1.119 -4.786 124 HG21 THR 16 HG21 THR 16 -5.980 -2.962 -5.465 125 HG22 THR 16 HG22 THR 16 -4.877 -2.393 -6.729 126 HG23 THR 16 HG23 THR 16 -5.864 -1.244 -5.813 127 H ILE 17 H ILE 17 -4.407 -3.755 -2.001 128 HA ILE 17 HA ILE 17 -7.075 -4.740 -2.384 129 HB ILE 17 HB ILE 17 -5.195 -6.321 -2.377 130 HG12 ILE 17 HG12 ILE 17 -7.457 -7.218 -1.766 131 HG13 ILE 17 HG13 ILE 17 -6.130 -8.175 -1.142 132 HG21 ILE 17 HG21 ILE 17 -4.778 -5.689 0.497 133 HG22 ILE 17 HG22 ILE 17 -3.706 -5.399 -0.870 134 HG23 ILE 17 HG23 ILE 17 -4.053 -7.059 -0.354 135 HD11 ILE 17 HD11 ILE 17 -7.963 -8.006 0.431 136 HD12 ILE 17 HD12 ILE 17 -7.831 -6.247 0.417 137 HD13 ILE 17 HD13 ILE 17 -6.519 -7.223 1.075 138 H PHE 18 H PHE 18 -5.298 -3.629 0.497 139 HA PHE 18 HA PHE 18 -7.681 -3.786 2.087 140 HB2 PHE 18 HB2 PHE 18 -4.970 -2.665 2.753 141 HB3 PHE 18 HB3 PHE 18 -6.295 -2.895 3.897 142 HD1 PHE 18 HD1 PHE 18 -7.351 -5.365 3.537 143 HD2 PHE 18 HD2 PHE 18 -3.327 -4.229 2.948 144 HE1 PHE 18 HE1 PHE 18 -6.651 -7.689 3.971 145 HE2 PHE 18 HE2 PHE 18 -2.599 -6.544 3.364 146 HZ PHE 18 HZ PHE 18 -4.262 -8.278 3.874 147 H GLY 19 H GLY 19 -5.611 -1.097 1.098 148 HA2 GLY 19 HA2 GLY 19 -7.113 0.971 2.263 149 HA3 GLY 19 HA3 GLY 19 -6.005 1.152 0.917 150 H LEU 20 H LEU 20 -7.037 -0.091 -1.089 151 HA LEU 20 HA LEU 20 -9.071 1.588 -1.976 152 HB2 LEU 20 HB2 LEU 20 -7.398 -0.143 -3.193 153 HB3 LEU 20 HB3 LEU 20 -8.903 -1.022 -3.321 154 HG LEU 20 HG LEU 20 -9.863 1.169 -4.239 155 HD11 LEU 20 HD11 LEU 20 -8.262 2.602 -5.378 156 HD12 LEU 20 HD12 LEU 20 -6.947 1.615 -4.735 157 HD13 LEU 20 HD13 LEU 20 -7.949 2.558 -3.635 158 HD21 LEU 20 HD21 LEU 20 -9.145 0.595 -6.505 159 HD22 LEU 20 HD22 LEU 20 -9.613 -0.827 -5.579 160 HD23 LEU 20 HD23 LEU 20 -7.898 -0.463 -5.841 161 H ALA 21 H ALA 21 -9.312 -1.568 -0.348 162 HA ALA 21 HA ALA 21 -11.976 -2.102 -0.973 163 HB1 ALA 21 HB1 ALA 21 -10.466 -3.742 0.061 164 HB2 ALA 21 HB2 ALA 21 -11.957 -3.547 0.987 165 HB3 ALA 21 HB3 ALA 21 -10.466 -2.785 1.541 166 H ALA 22 H ALA 22 -10.511 0.056 1.319 167 HA ALA 22 HA ALA 22 -12.842 0.534 2.891 168 HB1 ALA 22 HB1 ALA 22 -10.569 1.050 3.728 169 HB2 ALA 22 HB2 ALA 22 -11.628 2.462 3.770 170 HB3 ALA 22 HB3 ALA 22 -10.425 2.304 2.495 171 H TRP 23 H TRP 23 -11.592 1.816 -0.060 172 HA TRP 23 HA TRP 23 -13.612 3.874 -0.015 173 HB2 TRP 23 HB2 TRP 23 -11.077 3.704 -1.157 174 HB3 TRP 23 HB3 TRP 23 -12.184 3.677 -2.516 175 HD1 TRP 23 HD1 TRP 23 -12.673 6.068 -3.380 176 HE1 TRP 23 HE1 TRP 23 -12.951 8.388 -2.307 177 HE3 TRP 23 HE3 TRP 23 -11.847 4.800 1.485 178 HZ2 TRP 23 HZ2 TRP 23 -12.829 9.529 0.279 179 HZ3 TRP 23 HZ3 TRP 23 -11.946 6.542 3.204 180 HH2 TRP 23 HH2 TRP 23 -12.433 8.869 2.609 181 H ALA 24 H ALA 24 -12.895 0.938 -1.794 182 HA ALA 24 HA ALA 24 -15.127 1.204 -3.544 183 HB1 ALA 24 HB1 ALA 24 -13.440 -1.209 -2.935 184 HB2 ALA 24 HB2 ALA 24 -13.105 -0.007 -4.184 185 HB3 ALA 24 HB3 ALA 24 -14.536 -1.033 -4.306 186 H LEU 25 H LEU 25 -14.452 -1.028 -0.873 187 HA LEU 25 HA LEU 25 -17.119 -2.065 -0.968 188 HB2 LEU 25 HB2 LEU 25 -14.676 -2.789 0.573 189 HB3 LEU 25 HB3 LEU 25 -16.247 -3.444 1.028 190 HG LEU 25 HG LEU 25 -15.099 -5.075 -0.259 191 HD11 LEU 25 HD11 LEU 25 -17.117 -3.768 -2.061 192 HD12 LEU 25 HD12 LEU 25 -17.443 -4.931 -0.781 193 HD13 LEU 25 HD13 LEU 25 -16.520 -5.417 -2.199 194 HD21 LEU 25 HD21 LEU 25 -14.642 -2.990 -2.387 195 HD22 LEU 25 HD22 LEU 25 -14.194 -4.693 -2.508 196 HD23 LEU 25 HD23 LEU 25 -13.410 -3.658 -1.320 197 H LEU 26 H LEU 26 -15.493 0.276 1.015 198 HA LEU 26 HA LEU 26 -17.557 0.004 3.055 199 HB2 LEU 26 HB2 LEU 26 -15.336 -0.014 3.917 200 HB3 LEU 26 HB3 LEU 26 -14.913 1.429 3.027 201 HG LEU 26 HG LEU 26 -16.561 2.663 4.454 202 HD11 LEU 26 HD11 LEU 26 -16.434 0.165 6.128 203 HD12 LEU 26 HD12 LEU 26 -17.852 0.802 5.299 204 HD13 LEU 26 HD13 LEU 26 -17.125 1.707 6.630 205 HD21 LEU 26 HD21 LEU 26 -15.003 2.851 6.361 206 HD22 LEU 26 HD22 LEU 26 -14.184 2.899 4.807 207 HD23 LEU 26 HD23 LEU 26 -14.151 1.423 5.776 208 H ALA 27 H ALA 27 -16.560 2.054 0.603 209 HA ALA 27 HA ALA 27 -18.364 4.163 1.576 210 HB1 ALA 27 HB1 ALA 27 -16.037 4.880 1.310 211 HB2 ALA 27 HB2 ALA 27 -17.126 5.776 0.259 212 HB3 ALA 27 HB3 ALA 27 -16.118 4.493 -0.407 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 14.377 -9.410 -2.575 2 H2 ARG 1 HT2 ARG 1 15.567 -9.405 -1.359 3 H3 ARG 1 HT3 ARG 1 14.839 -7.972 -1.823 4 HA ARG 1 HA ARG 1 12.768 -8.620 -0.953 5 HB2 ARG 1 HB2 ARG 1 13.585 -11.177 -1.300 6 HB3 ARG 1 HB3 ARG 1 14.052 -10.984 0.375 7 HG2 ARG 1 HG2 ARG 1 11.270 -10.626 -0.722 8 HG3 ARG 1 HG3 ARG 1 11.867 -12.045 0.128 9 HD2 ARG 1 HD2 ARG 1 11.639 -9.264 1.255 10 HD3 ARG 1 HD3 ARG 1 10.501 -10.577 1.544 11 HE ARG 1 HE ARG 1 13.280 -11.043 2.300 12 HH11 ARG 1 HH11 ARG 1 9.972 -10.282 3.350 13 HH12 ARG 1 HH12 ARG 1 10.338 -10.524 5.005 14 HH21 ARG 1 HH21 ARG 1 13.723 -11.379 4.561 15 HH22 ARG 1 HH22 ARG 1 12.466 -11.152 5.692 16 H ASN 2 H ASN 2 13.689 -6.684 -0.104 17 HA ASN 2 HA ASN 2 15.256 -7.014 2.370 18 HB2 ASN 2 HB2 ASN 2 15.360 -4.656 0.452 19 HB3 ASN 2 HB3 ASN 2 16.359 -4.897 1.870 20 HD21 ASN 2 HD21 ASN 2 18.328 -4.717 0.702 21 HD22 ASN 2 HD22 ASN 2 18.787 -5.906 -0.461 22 H LYS 3 H LYS 3 14.829 -5.260 3.894 23 HA LYS 3 HA LYS 3 12.063 -4.338 3.763 24 HB2 LYS 3 HB2 LYS 3 12.897 -5.383 5.841 25 HB3 LYS 3 HB3 LYS 3 14.112 -4.126 5.973 26 HG2 LYS 3 HG2 LYS 3 11.859 -2.625 5.757 27 HG3 LYS 3 HG3 LYS 3 11.227 -4.043 6.579 28 HD2 LYS 3 HD2 LYS 3 11.916 -2.461 8.236 29 HD3 LYS 3 HD3 LYS 3 13.058 -3.805 8.259 30 HE2 LYS 3 HE2 LYS 3 14.630 -2.483 6.894 31 HE3 LYS 3 HE3 LYS 3 13.478 -1.172 6.840 32 HZ1 LYS 3 HZ1 LYS 3 15.139 -0.791 8.536 33 HZ2 LYS 3 HZ2 LYS 3 14.745 -2.244 9.299 34 HZ3 LYS 3 HZ3 LYS 3 13.635 -0.996 9.255 35 H LEU 4 H LEU 4 11.808 -2.444 2.795 36 HA LEU 4 HA LEU 4 13.805 -0.374 3.309 37 HB2 LEU 4 HB2 LEU 4 14.212 -1.358 1.206 38 HB3 LEU 4 HB3 LEU 4 12.560 -1.135 0.668 39 HG LEU 4 HG LEU 4 12.999 1.376 0.866 40 HD11 LEU 4 HD11 LEU 4 15.292 2.129 0.807 41 HD12 LEU 4 HD12 LEU 4 15.859 0.474 1.004 42 HD13 LEU 4 HD13 LEU 4 14.955 1.255 2.300 43 HD21 LEU 4 HD21 LEU 4 14.117 1.497 -1.284 44 HD22 LEU 4 HD22 LEU 4 12.902 0.216 -1.269 45 HD23 LEU 4 HD23 LEU 4 14.618 -0.188 -1.126 46 H ALA 5 H ALA 5 12.978 1.675 3.483 47 HA ALA 5 HA ALA 5 10.381 1.961 4.465 48 HB1 ALA 5 HB1 ALA 5 12.206 4.130 3.453 49 HB2 ALA 5 HB2 ALA 5 12.225 3.445 5.083 50 HB3 ALA 5 HB3 ALA 5 10.816 4.347 4.521 51 H TYR 6 H TYR 6 11.667 2.476 1.325 52 HA TYR 6 HA TYR 6 9.319 3.715 0.296 53 HB2 TYR 6 HB2 TYR 6 11.630 2.402 -1.087 54 HB3 TYR 6 HB3 TYR 6 10.294 3.140 -1.959 55 HD1 TYR 6 HD1 TYR 6 9.932 5.568 -1.861 56 HD2 TYR 6 HD2 TYR 6 13.335 3.772 -0.050 57 HE1 TYR 6 HE1 TYR 6 11.035 7.756 -1.763 58 HE2 TYR 6 HE2 TYR 6 14.443 5.972 0.057 59 HH TYR 6 HH TYR 6 12.755 8.882 -0.546 60 H ASN 7 H ASN 7 10.351 0.476 0.684 61 HA ASN 7 HA ASN 7 8.377 -0.636 -1.090 62 HB2 ASN 7 HB2 ASN 7 10.313 -1.867 0.860 63 HB3 ASN 7 HB3 ASN 7 9.053 -2.835 0.104 64 HD21 ASN 7 HD21 ASN 7 9.116 -1.714 -2.467 65 HD22 ASN 7 HD22 ASN 7 10.606 -2.121 -3.213 66 H MET 8 H MET 8 8.887 -0.874 2.386 67 HA MET 8 HA MET 8 6.166 -1.673 2.688 68 HB2 MET 8 HB2 MET 8 7.792 -2.721 4.144 69 HB3 MET 8 HB3 MET 8 8.251 -1.169 4.807 70 HG2 MET 8 HG2 MET 8 6.763 -2.568 6.276 71 HG3 MET 8 HG3 MET 8 6.212 -0.924 5.961 72 HE1 MET 8 HE1 MET 8 5.925 -3.777 3.259 73 HE2 MET 8 HE2 MET 8 4.385 -4.516 3.666 74 HE3 MET 8 HE3 MET 8 5.771 -4.705 4.754 75 H GLY 9 H GLY 9 7.934 1.132 3.943 76 HA2 GLY 9 HA2 GLY 9 5.676 2.291 5.199 77 HA3 GLY 9 HA3 GLY 9 7.160 3.132 4.809 78 H HIS 10 H HIS 10 7.186 3.103 2.104 79 HA HIS 10 HA HIS 10 5.427 5.249 1.472 80 HB2 HIS 10 HB2 HIS 10 7.653 4.876 0.464 81 HB3 HIS 10 HB3 HIS 10 7.001 3.495 -0.411 82 HD1 HIS 10 HD1 HIS 10 5.435 6.941 -0.002 83 HD2 HIS 10 HD2 HIS 10 7.008 4.451 -2.926 84 HE1 HIS 10 HE1 HIS 10 5.000 8.073 -2.131 85 H TYR 11 H TYR 11 5.304 1.802 0.611 86 HA TYR 11 HA TYR 11 2.897 2.151 -0.832 87 HB2 TYR 11 HB2 TYR 11 4.433 -0.222 0.027 88 HB3 TYR 11 HB3 TYR 11 2.776 -0.425 -0.544 89 HD1 TYR 11 HD1 TYR 11 2.174 0.208 -2.804 90 HD2 TYR 11 HD2 TYR 11 6.179 0.320 -1.472 91 HE1 TYR 11 HE1 TYR 11 2.892 0.338 -5.119 92 HE2 TYR 11 HE2 TYR 11 6.964 0.448 -3.826 93 HH TYR 11 HH TYR 11 4.864 1.198 -6.332 94 H ALA 12 H ALA 12 3.616 1.257 2.477 95 HA ALA 12 HA ALA 12 1.124 0.274 3.213 96 HB1 ALA 12 HB1 ALA 12 3.073 0.159 4.684 97 HB2 ALA 12 HB2 ALA 12 1.704 0.909 5.515 98 HB3 ALA 12 HB3 ALA 12 3.021 1.909 4.894 99 H GLY 13 H GLY 13 2.228 3.562 2.913 100 HA2 GLY 13 HA2 GLY 13 -0.087 4.801 3.993 101 HA3 GLY 13 HA3 GLY 13 1.067 5.555 2.891 102 H LYS 14 H LYS 14 0.823 3.945 0.687 103 HA LYS 14 HA LYS 14 -1.570 5.062 -0.387 104 HB2 LYS 14 HB2 LYS 14 0.735 3.601 -1.594 105 HB3 LYS 14 HB3 LYS 14 -0.749 3.782 -2.516 106 HG2 LYS 14 HG2 LYS 14 0.870 5.545 -3.074 107 HG3 LYS 14 HG3 LYS 14 -0.586 6.201 -2.351 108 HD2 LYS 14 HD2 LYS 14 0.573 6.410 -0.205 109 HD3 LYS 14 HD3 LYS 14 2.034 5.734 -0.925 110 HE2 LYS 14 HE2 LYS 14 2.221 7.605 -2.428 111 HE3 LYS 14 HE3 LYS 14 0.665 8.243 -1.892 112 HZ1 LYS 14 HZ1 LYS 14 1.629 8.640 0.281 113 HZ2 LYS 14 HZ2 LYS 14 2.482 9.430 -0.913 114 HZ3 LYS 14 HZ3 LYS 14 3.126 8.052 -0.225 115 H ALA 15 H ALA 15 -0.514 1.819 0.359 116 HA ALA 15 HA ALA 15 -2.732 0.506 -0.784 117 HB1 ALA 15 HB1 ALA 15 -2.037 -1.435 0.515 118 HB2 ALA 15 HB2 ALA 15 -0.930 -0.419 1.453 119 HB3 ALA 15 HB3 ALA 15 -0.653 -0.669 -0.269 120 H THR 16 H THR 16 -2.233 2.021 2.301 121 HA THR 16 HA THR 16 -4.598 0.927 3.416 122 HB THR 16 HB THR 16 -3.001 3.325 4.329 123 HG1 THR 16 HG1 THR 16 -1.703 1.544 4.508 124 HG21 THR 16 HG21 THR 16 -4.085 2.941 6.487 125 HG22 THR 16 HG22 THR 16 -4.972 1.586 5.796 126 HG23 THR 16 HG23 THR 16 -5.314 3.228 5.242 127 H ILE 17 H ILE 17 -3.834 3.952 1.740 128 HA ILE 17 HA ILE 17 -6.510 4.786 2.212 129 HB ILE 17 HB ILE 17 -4.859 6.540 2.041 130 HG12 ILE 17 HG12 ILE 17 -5.914 8.034 0.380 131 HG13 ILE 17 HG13 ILE 17 -6.801 6.663 -0.267 132 HG21 ILE 17 HG21 ILE 17 -4.398 5.665 -0.789 133 HG22 ILE 17 HG22 ILE 17 -3.266 5.588 0.565 134 HG23 ILE 17 HG23 ILE 17 -3.773 7.150 -0.073 135 HD11 ILE 17 HD11 ILE 17 -7.938 6.383 1.890 136 HD12 ILE 17 HD12 ILE 17 -8.191 7.997 1.245 137 HD13 ILE 17 HD13 ILE 17 -7.014 7.733 2.541 138 H PHE 18 H PHE 18 -4.815 3.666 -0.715 139 HA PHE 18 HA PHE 18 -7.276 3.674 -2.183 140 HB2 PHE 18 HB2 PHE 18 -4.595 2.567 -2.981 141 HB3 PHE 18 HB3 PHE 18 -6.005 2.805 -4.015 142 HD1 PHE 18 HD1 PHE 18 -2.964 4.163 -3.380 143 HD2 PHE 18 HD2 PHE 18 -7.036 5.256 -3.562 144 HE1 PHE 18 HE1 PHE 18 -2.295 6.480 -3.859 145 HE2 PHE 18 HE2 PHE 18 -6.402 7.596 -4.049 146 HZ PHE 18 HZ PHE 18 -4.017 8.208 -4.199 147 H GLY 19 H GLY 19 -5.020 1.073 -1.369 148 HA2 GLY 19 HA2 GLY 19 -6.590 -1.037 -2.338 149 HA3 GLY 19 HA3 GLY 19 -5.302 -1.188 -1.146 150 H LEU 20 H LEU 20 -6.163 0.006 0.993 151 HA LEU 20 HA LEU 20 -8.162 -1.677 1.964 152 HB2 LEU 20 HB2 LEU 20 -6.743 0.609 3.111 153 HB3 LEU 20 HB3 LEU 20 -8.340 0.235 3.762 154 HG LEU 20 HG LEU 20 -7.553 -2.087 4.050 155 HD11 LEU 20 HD11 LEU 20 -4.784 -0.934 3.706 156 HD12 LEU 20 HD12 LEU 20 -5.593 -1.998 2.559 157 HD13 LEU 20 HD13 LEU 20 -5.188 -2.585 4.172 158 HD21 LEU 20 HD21 LEU 20 -6.217 0.076 5.625 159 HD22 LEU 20 HD22 LEU 20 -6.333 -1.612 6.151 160 HD23 LEU 20 HD23 LEU 20 -7.799 -0.647 5.907 161 H ALA 21 H ALA 21 -8.496 1.456 0.581 162 HA ALA 21 HA ALA 21 -11.230 1.793 1.345 163 HB1 ALA 21 HB1 ALA 21 -11.488 3.295 -0.535 164 HB2 ALA 21 HB2 ALA 21 -9.925 2.770 -1.199 165 HB3 ALA 21 HB3 ALA 21 -9.992 3.649 0.330 166 H ALA 22 H ALA 22 -9.705 0.012 -1.198 167 HA ALA 22 HA ALA 22 -12.158 -0.646 -2.549 168 HB1 ALA 22 HB1 ALA 22 -10.026 -0.587 -3.772 169 HB2 ALA 22 HB2 ALA 22 -10.790 -2.172 -3.884 170 HB3 ALA 22 HB3 ALA 22 -9.432 -1.921 -2.787 171 H TRP 23 H TRP 23 -10.212 -2.033 -0.088 172 HA TRP 23 HA TRP 23 -11.710 -4.499 -0.143 173 HB2 TRP 23 HB2 TRP 23 -9.131 -3.725 0.668 174 HB3 TRP 23 HB3 TRP 23 -9.949 -4.414 2.067 175 HD1 TRP 23 HD1 TRP 23 -9.220 -6.811 2.225 176 HE1 TRP 23 HE1 TRP 23 -9.016 -8.831 0.596 177 HE3 TRP 23 HE3 TRP 23 -10.405 -4.439 -2.094 178 HZ2 TRP 23 HZ2 TRP 23 -9.378 -9.308 -2.185 179 HZ3 TRP 23 HZ3 TRP 23 -10.497 -5.693 -4.178 180 HH2 TRP 23 HH2 TRP 23 -9.990 -8.087 -4.235 181 H ALA 24 H ALA 24 -11.189 -1.911 2.202 182 HA ALA 24 HA ALA 24 -12.970 -3.123 4.040 183 HB1 ALA 24 HB1 ALA 24 -11.794 -0.358 3.982 184 HB2 ALA 24 HB2 ALA 24 -11.149 -1.757 4.843 185 HB3 ALA 24 HB3 ALA 24 -12.684 -1.037 5.343 186 H LEU 25 H LEU 25 -13.078 -0.252 1.982 187 HA LEU 25 HA LEU 25 -15.794 0.348 2.727 188 HB2 LEU 25 HB2 LEU 25 -13.927 1.715 0.812 189 HB3 LEU 25 HB3 LEU 25 -15.547 2.264 1.194 190 HG LEU 25 HG LEU 25 -13.231 2.055 3.133 191 HD11 LEU 25 HD11 LEU 25 -12.917 3.836 1.531 192 HD12 LEU 25 HD12 LEU 25 -13.278 4.493 3.126 193 HD13 LEU 25 HD13 LEU 25 -14.530 4.461 1.883 194 HD21 LEU 25 HD21 LEU 25 -15.381 1.700 4.243 195 HD22 LEU 25 HD22 LEU 25 -16.003 3.188 3.531 196 HD23 LEU 25 HD23 LEU 25 -14.683 3.255 4.696 197 H LEU 26 H LEU 26 -14.258 -1.087 -0.085 198 HA LEU 26 HA LEU 26 -16.732 -0.794 -1.603 199 HB2 LEU 26 HB2 LEU 26 -14.653 -0.031 -2.616 200 HB3 LEU 26 HB3 LEU 26 -13.967 -1.619 -2.395 201 HG LEU 26 HG LEU 26 -15.692 -2.495 -3.915 202 HD11 LEU 26 HD11 LEU 26 -16.133 0.433 -4.536 203 HD12 LEU 26 HD12 LEU 26 -17.298 -0.669 -3.811 204 HD13 LEU 26 HD13 LEU 26 -16.772 -0.915 -5.476 205 HD21 LEU 26 HD21 LEU 26 -14.488 -1.744 -5.954 206 HD22 LEU 26 HD22 LEU 26 -13.418 -2.205 -4.641 207 HD23 LEU 26 HD23 LEU 26 -13.707 -0.498 -4.982 208 H ALA 27 H ALA 27 -15.036 -3.134 0.054 209 HA ALA 27 HA ALA 27 -16.400 -5.273 -1.442 210 HB1 ALA 27 HB1 ALA 27 -14.763 -6.873 -0.541 211 HB2 ALA 27 HB2 ALA 27 -14.032 -5.583 0.416 212 HB3 ALA 27 HB3 ALA 27 -13.955 -5.527 -1.339 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 15.584 -10.099 -1.019 2 H2 ARG 1 HT2 ARG 1 15.986 -9.714 -2.573 3 H3 ARG 1 HT3 ARG 1 15.273 -11.219 -2.247 4 HA ARG 1 HA ARG 1 13.686 -9.666 -3.220 5 HB2 ARG 1 HB2 ARG 1 13.217 -10.131 -0.254 6 HB3 ARG 1 HB3 ARG 1 11.993 -9.650 -1.418 7 HG2 ARG 1 HG2 ARG 1 13.525 -12.240 -1.487 8 HG3 ARG 1 HG3 ARG 1 11.899 -12.030 -0.854 9 HD2 ARG 1 HD2 ARG 1 11.087 -11.352 -3.023 10 HD3 ARG 1 HD3 ARG 1 12.713 -11.409 -3.692 11 HE ARG 1 HE ARG 1 11.946 -13.861 -2.522 12 HH11 ARG 1 HH11 ARG 1 11.435 -11.908 -5.415 13 HH12 ARG 1 HH12 ARG 1 11.252 -13.239 -6.462 14 HH21 ARG 1 HH21 ARG 1 11.730 -15.701 -3.974 15 HH22 ARG 1 HH22 ARG 1 11.518 -15.426 -5.634 16 H ASN 2 H ASN 2 12.656 -7.625 -3.114 17 HA ASN 2 HA ASN 2 14.319 -5.559 -2.071 18 HB2 ASN 2 HB2 ASN 2 13.119 -5.226 -4.163 19 HB3 ASN 2 HB3 ASN 2 11.575 -5.449 -3.352 20 HD21 ASN 2 HD21 ASN 2 14.319 -3.357 -3.727 21 HD22 ASN 2 HD22 ASN 2 13.558 -1.914 -3.154 22 H LYS 3 H LYS 3 14.400 -5.256 0.009 23 HA LYS 3 HA LYS 3 11.909 -4.959 1.473 24 HB2 LYS 3 HB2 LYS 3 13.351 -7.109 1.857 25 HB3 LYS 3 HB3 LYS 3 14.438 -6.012 2.697 26 HG2 LYS 3 HG2 LYS 3 13.022 -7.122 4.242 27 HG3 LYS 3 HG3 LYS 3 12.594 -5.404 4.206 28 HD2 LYS 3 HD2 LYS 3 11.117 -7.020 2.268 29 HD3 LYS 3 HD3 LYS 3 10.824 -7.502 3.932 30 HE2 LYS 3 HE2 LYS 3 10.641 -4.644 2.978 31 HE3 LYS 3 HE3 LYS 3 9.253 -5.736 2.974 32 HZ1 LYS 3 HZ1 LYS 3 9.363 -4.341 4.980 33 HZ2 LYS 3 HZ2 LYS 3 10.842 -4.990 5.385 34 HZ3 LYS 3 HZ3 LYS 3 9.475 -5.959 5.364 35 H LEU 4 H LEU 4 11.894 -2.907 2.341 36 HA LEU 4 HA LEU 4 14.282 -1.475 3.021 37 HB2 LEU 4 HB2 LEU 4 14.094 -1.588 0.468 38 HB3 LEU 4 HB3 LEU 4 12.685 -0.587 0.632 39 HG LEU 4 HG LEU 4 14.144 1.138 1.783 40 HD11 LEU 4 HD11 LEU 4 16.011 -0.331 2.367 41 HD12 LEU 4 HD12 LEU 4 16.535 1.029 1.382 42 HD13 LEU 4 HD13 LEU 4 16.349 -0.567 0.652 43 HD21 LEU 4 HD21 LEU 4 15.010 2.018 -0.316 44 HD22 LEU 4 HD22 LEU 4 13.392 1.336 -0.560 45 HD23 LEU 4 HD23 LEU 4 14.822 0.436 -1.060 46 H ALA 5 H ALA 5 13.650 0.637 3.784 47 HA ALA 5 HA ALA 5 11.271 0.798 5.199 48 HB1 ALA 5 HB1 ALA 5 13.277 2.093 5.722 49 HB2 ALA 5 HB2 ALA 5 11.868 3.149 5.556 50 HB3 ALA 5 HB3 ALA 5 13.054 3.029 4.247 51 H TYR 6 H TYR 6 12.142 1.993 2.081 52 HA TYR 6 HA TYR 6 9.592 3.217 1.638 53 HB2 TYR 6 HB2 TYR 6 11.974 2.820 -0.141 54 HB3 TYR 6 HB3 TYR 6 10.452 3.439 -0.777 55 HD1 TYR 6 HD1 TYR 6 9.696 5.644 -0.252 56 HD2 TYR 6 HD2 TYR 6 13.272 4.156 1.498 57 HE1 TYR 6 HE1 TYR 6 10.225 7.886 0.514 58 HE2 TYR 6 HE2 TYR 6 13.834 6.416 2.277 59 HH TYR 6 HH TYR 6 13.333 8.682 1.906 60 H ASN 7 H ASN 7 10.685 0.086 1.421 61 HA ASN 7 HA ASN 7 8.841 -0.755 -0.630 62 HB2 ASN 7 HB2 ASN 7 10.817 -2.134 -0.254 63 HB3 ASN 7 HB3 ASN 7 10.392 -2.347 1.436 64 HD21 ASN 7 HD21 ASN 7 9.834 -3.370 -1.776 65 HD22 ASN 7 HD22 ASN 7 8.787 -4.700 -1.410 66 H MET 8 H MET 8 9.090 -1.342 2.835 67 HA MET 8 HA MET 8 6.323 -2.026 2.904 68 HB2 MET 8 HB2 MET 8 7.834 -3.246 4.330 69 HB3 MET 8 HB3 MET 8 8.250 -1.763 5.184 70 HG2 MET 8 HG2 MET 8 6.652 -3.197 6.425 71 HG3 MET 8 HG3 MET 8 6.065 -1.577 6.091 72 HE1 MET 8 HE1 MET 8 4.673 -5.166 3.508 73 HE2 MET 8 HE2 MET 8 5.949 -5.331 4.721 74 HE3 MET 8 HE3 MET 8 6.213 -4.343 3.285 75 H GLY 9 H GLY 9 8.152 0.632 4.410 76 HA2 GLY 9 HA2 GLY 9 5.917 1.729 5.728 77 HA3 GLY 9 HA3 GLY 9 7.435 2.541 5.396 78 H HIS 10 H HIS 10 7.463 2.641 2.703 79 HA HIS 10 HA HIS 10 5.748 4.862 2.178 80 HB2 HIS 10 HB2 HIS 10 7.960 4.602 1.139 81 HB3 HIS 10 HB3 HIS 10 7.373 3.212 0.230 82 HD1 HIS 10 HD1 HIS 10 5.867 6.663 0.727 83 HD2 HIS 10 HD2 HIS 10 7.141 4.124 -2.279 84 HE1 HIS 10 HE1 HIS 10 5.209 7.758 -1.370 85 H TYR 11 H TYR 11 5.567 1.479 1.194 86 HA TYR 11 HA TYR 11 3.157 1.886 -0.261 87 HB2 TYR 11 HB2 TYR 11 4.691 -0.484 0.575 88 HB3 TYR 11 HB3 TYR 11 3.021 -0.713 0.104 89 HD1 TYR 11 HD1 TYR 11 2.277 -0.333 -2.119 90 HD2 TYR 11 HD2 TYR 11 6.367 0.203 -1.117 91 HE1 TYR 11 HE1 TYR 11 2.816 -0.321 -4.479 92 HE2 TYR 11 HE2 TYR 11 6.956 0.223 -3.509 93 HH TYR 11 HH TYR 11 5.950 -0.681 -5.610 94 H ALA 12 H ALA 12 3.865 1.091 3.055 95 HA ALA 12 HA ALA 12 1.468 -0.047 3.803 96 HB1 ALA 12 HB1 ALA 12 1.989 0.615 6.088 97 HB2 ALA 12 HB2 ALA 12 3.176 1.779 5.497 98 HB3 ALA 12 HB3 ALA 12 3.443 0.053 5.259 99 H GLY 13 H GLY 13 2.331 3.350 3.691 100 HA2 GLY 13 HA2 GLY 13 -0.169 4.292 4.702 101 HA3 GLY 13 HA3 GLY 13 1.001 5.265 3.822 102 H LYS 14 H LYS 14 1.015 3.610 1.476 103 HA LYS 14 HA LYS 14 -1.292 4.794 0.276 104 HB2 LYS 14 HB2 LYS 14 1.069 3.344 -0.872 105 HB3 LYS 14 HB3 LYS 14 -0.356 3.642 -1.856 106 HG2 LYS 14 HG2 LYS 14 1.327 5.371 -2.253 107 HG3 LYS 14 HG3 LYS 14 -0.100 6.062 -1.493 108 HD2 LYS 14 HD2 LYS 14 1.055 6.084 0.665 109 HD3 LYS 14 HD3 LYS 14 2.465 5.338 -0.078 110 HE2 LYS 14 HE2 LYS 14 2.760 7.276 -1.526 111 HE3 LYS 14 HE3 LYS 14 1.324 8.027 -0.832 112 HZ1 LYS 14 HZ1 LYS 14 3.448 8.852 0.126 113 HZ2 LYS 14 HZ2 LYS 14 3.761 7.326 0.730 114 HZ3 LYS 14 HZ3 LYS 14 2.444 8.179 1.290 115 H ALA 15 H ALA 15 -0.342 1.656 1.267 116 HA ALA 15 HA ALA 15 -2.339 0.233 -0.114 117 HB1 ALA 15 HB1 ALA 15 -0.331 -0.864 0.723 118 HB2 ALA 15 HB2 ALA 15 -1.786 -1.607 1.411 119 HB3 ALA 15 HB3 ALA 15 -0.820 -0.497 2.375 120 H THR 16 H THR 16 -2.297 1.917 2.932 121 HA THR 16 HA THR 16 -4.752 0.807 3.799 122 HB THR 16 HB THR 16 -3.685 3.501 4.670 123 HG1 THR 16 HG1 THR 16 -3.021 1.340 6.234 124 HG21 THR 16 HG21 THR 16 -5.284 1.336 6.042 125 HG22 THR 16 HG22 THR 16 -5.936 2.848 5.414 126 HG23 THR 16 HG23 THR 16 -4.807 2.874 6.771 127 H ILE 17 H ILE 17 -3.909 3.664 1.870 128 HA ILE 17 HA ILE 17 -6.684 4.384 1.790 129 HB ILE 17 HB ILE 17 -5.109 6.242 1.662 130 HG12 ILE 17 HG12 ILE 17 -5.947 7.419 -0.374 131 HG13 ILE 17 HG13 ILE 17 -6.638 5.887 -0.909 132 HG21 ILE 17 HG21 ILE 17 -3.241 5.195 0.619 133 HG22 ILE 17 HG22 ILE 17 -3.675 6.662 -0.269 134 HG23 ILE 17 HG23 ILE 17 -4.111 5.075 -0.908 135 HD11 ILE 17 HD11 ILE 17 -8.099 5.846 1.019 136 HD12 ILE 17 HD12 ILE 17 -8.302 7.366 0.136 137 HD13 ILE 17 HD13 ILE 17 -7.367 7.328 1.631 138 H PHE 18 H PHE 18 -4.464 3.051 -0.644 139 HA PHE 18 HA PHE 18 -6.639 2.676 -2.454 140 HB2 PHE 18 HB2 PHE 18 -3.780 1.800 -2.622 141 HB3 PHE 18 HB3 PHE 18 -4.982 1.572 -3.897 142 HD1 PHE 18 HD1 PHE 18 -6.386 3.890 -4.163 143 HD2 PHE 18 HD2 PHE 18 -2.328 3.485 -3.089 144 HE1 PHE 18 HE1 PHE 18 -5.940 6.143 -5.089 145 HE2 PHE 18 HE2 PHE 18 -1.840 5.739 -3.984 146 HZ PHE 18 HZ PHE 18 -3.659 7.074 -4.991 147 H GLY 19 H GLY 19 -4.432 0.363 -0.937 148 HA2 GLY 19 HA2 GLY 19 -5.628 -1.989 -1.872 149 HA3 GLY 19 HA3 GLY 19 -4.635 -1.826 -0.425 150 H LEU 20 H LEU 20 -5.964 -0.402 1.251 151 HA LEU 20 HA LEU 20 -7.825 -2.218 2.270 152 HB2 LEU 20 HB2 LEU 20 -6.437 -0.264 3.356 153 HB3 LEU 20 HB3 LEU 20 -7.966 0.582 3.179 154 HG LEU 20 HG LEU 20 -8.966 -1.496 4.308 155 HD11 LEU 20 HD11 LEU 20 -6.950 -2.852 4.138 156 HD12 LEU 20 HD12 LEU 20 -7.433 -2.635 5.831 157 HD13 LEU 20 HD13 LEU 20 -6.102 -1.691 5.155 158 HD21 LEU 20 HD21 LEU 20 -7.261 0.464 5.818 159 HD22 LEU 20 HD22 LEU 20 -8.551 -0.543 6.506 160 HD23 LEU 20 HD23 LEU 20 -8.942 0.690 5.312 161 H ALA 21 H ALA 21 -8.266 0.615 0.204 162 HA ALA 21 HA ALA 21 -10.968 1.078 0.658 163 HB1 ALA 21 HB1 ALA 21 -10.986 2.159 -1.513 164 HB2 ALA 21 HB2 ALA 21 -9.421 1.420 -1.904 165 HB3 ALA 21 HB3 ALA 21 -9.543 2.597 -0.603 166 H ALA 22 H ALA 22 -9.419 -1.519 -1.050 167 HA ALA 22 HA ALA 22 -11.681 -2.217 -2.657 168 HB1 ALA 22 HB1 ALA 22 -10.454 -4.282 -3.115 169 HB2 ALA 22 HB2 ALA 22 -9.301 -3.892 -1.837 170 HB3 ALA 22 HB3 ALA 22 -9.391 -2.884 -3.274 171 H TRP 23 H TRP 23 -10.534 -3.026 0.517 172 HA TRP 23 HA TRP 23 -12.689 -4.929 0.770 173 HB2 TRP 23 HB2 TRP 23 -10.144 -4.781 1.928 174 HB3 TRP 23 HB3 TRP 23 -11.282 -4.515 3.235 175 HD1 TRP 23 HD1 TRP 23 -12.001 -6.739 4.361 176 HE1 TRP 23 HE1 TRP 23 -12.444 -9.161 3.560 177 HE3 TRP 23 HE3 TRP 23 -10.897 -6.180 -0.601 178 HZ2 TRP 23 HZ2 TRP 23 -12.333 -10.616 1.151 179 HZ3 TRP 23 HZ3 TRP 23 -11.097 -8.105 -2.083 180 HH2 TRP 23 HH2 TRP 23 -11.795 -10.297 -1.226 181 H ALA 24 H ALA 24 -11.810 -1.803 1.976 182 HA ALA 24 HA ALA 24 -14.014 -1.680 3.779 183 HB1 ALA 24 HB1 ALA 24 -12.288 0.564 2.749 184 HB2 ALA 24 HB2 ALA 24 -11.986 -0.405 4.194 185 HB3 ALA 24 HB3 ALA 24 -13.400 0.648 4.117 186 H LEU 25 H LEU 25 -13.354 0.042 0.743 187 HA LEU 25 HA LEU 25 -16.037 1.092 0.663 188 HB2 LEU 25 HB2 LEU 25 -13.597 1.527 -1.000 189 HB3 LEU 25 HB3 LEU 25 -15.162 2.093 -1.563 190 HG LEU 25 HG LEU 25 -15.270 3.493 0.539 191 HD11 LEU 25 HD11 LEU 25 -13.206 3.970 1.729 192 HD12 LEU 25 HD12 LEU 25 -12.385 2.691 0.830 193 HD13 LEU 25 HD13 LEU 25 -13.698 2.290 1.939 194 HD21 LEU 25 HD21 LEU 25 -13.726 5.188 -0.279 195 HD22 LEU 25 HD22 LEU 25 -14.653 4.460 -1.587 196 HD23 LEU 25 HD23 LEU 25 -12.965 3.994 -1.327 197 H LEU 26 H LEU 26 -14.268 -1.418 -1.019 198 HA LEU 26 HA LEU 26 -16.337 -1.584 -3.051 199 HB2 LEU 26 HB2 LEU 26 -14.062 -1.580 -3.827 200 HB3 LEU 26 HB3 LEU 26 -13.663 -2.912 -2.765 201 HG LEU 26 HG LEU 26 -15.236 -4.308 -4.085 202 HD11 LEU 26 HD11 LEU 26 -16.571 -2.620 -5.149 203 HD12 LEU 26 HD12 LEU 26 -15.780 -3.603 -6.376 204 HD13 LEU 26 HD13 LEU 26 -15.162 -1.993 -6.002 205 HD21 LEU 26 HD21 LEU 26 -13.627 -4.661 -5.939 206 HD22 LEU 26 HD22 LEU 26 -12.873 -4.545 -4.352 207 HD23 LEU 26 HD23 LEU 26 -12.812 -3.167 -5.457 208 H ALA 27 H ALA 27 -15.480 -3.173 -0.236 209 HA ALA 27 HA ALA 27 -17.031 -5.523 -1.047 210 HB1 ALA 27 HB1 ALA 27 -15.014 -5.338 1.182 211 HB2 ALA 27 HB2 ALA 27 -14.730 -6.016 -0.420 212 HB3 ALA 27 HB3 ALA 27 -15.860 -6.798 0.673 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 15.788 -1.567 -3.673 2 H2 ARG 1 HT2 ARG 1 17.325 -1.133 -4.206 3 H3 ARG 1 HT3 ARG 1 17.010 -1.349 -2.546 4 HA ARG 1 HA ARG 1 16.865 -3.458 -4.577 5 HB2 ARG 1 HB2 ARG 1 18.852 -2.968 -2.349 6 HB3 ARG 1 HB3 ARG 1 18.817 -4.398 -3.351 7 HG2 ARG 1 HG2 ARG 1 19.244 -2.927 -5.325 8 HG3 ARG 1 HG3 ARG 1 19.453 -1.589 -4.198 9 HD2 ARG 1 HD2 ARG 1 21.055 -4.135 -4.259 10 HD3 ARG 1 HD3 ARG 1 21.586 -2.563 -4.837 11 HE ARG 1 HE ARG 1 21.226 -1.844 -2.430 12 HH11 ARG 1 HH11 ARG 1 22.241 -5.142 -3.331 13 HH12 ARG 1 HH12 ARG 1 23.092 -5.401 -1.898 14 HH21 ARG 1 HH21 ARG 1 22.481 -2.217 -0.510 15 HH22 ARG 1 HH22 ARG 1 23.298 -3.726 -0.312 16 H ASN 2 H ASN 2 15.443 -4.900 -3.995 17 HA ASN 2 HA ASN 2 14.100 -6.285 -2.825 18 HB2 ASN 2 HB2 ASN 2 16.098 -6.919 -1.510 19 HB3 ASN 2 HB3 ASN 2 15.796 -5.562 -0.428 20 HD21 ASN 2 HD21 ASN 2 13.333 -7.795 -1.729 21 HD22 ASN 2 HD22 ASN 2 12.935 -8.449 -0.189 22 H LYS 3 H LYS 3 14.730 -3.820 -0.465 23 HA LYS 3 HA LYS 3 11.821 -3.229 -0.371 24 HB2 LYS 3 HB2 LYS 3 12.860 -4.182 1.733 25 HB3 LYS 3 HB3 LYS 3 13.854 -2.734 1.811 26 HG2 LYS 3 HG2 LYS 3 11.460 -1.580 1.572 27 HG3 LYS 3 HG3 LYS 3 10.972 -3.081 2.340 28 HD2 LYS 3 HD2 LYS 3 11.313 -1.477 4.054 29 HD3 LYS 3 HD3 LYS 3 12.673 -2.604 4.120 30 HE2 LYS 3 HE2 LYS 3 12.984 -0.202 2.420 31 HE3 LYS 3 HE3 LYS 3 12.988 0.081 4.164 32 HZ1 LYS 3 HZ1 LYS 3 14.855 -1.483 4.315 33 HZ2 LYS 3 HZ2 LYS 3 15.209 -0.192 3.331 34 HZ3 LYS 3 HZ3 LYS 3 14.880 -1.686 2.644 35 H LEU 4 H LEU 4 11.262 -1.059 -0.396 36 HA LEU 4 HA LEU 4 13.369 0.951 -0.450 37 HB2 LEU 4 HB2 LEU 4 12.726 0.195 -2.778 38 HB3 LEU 4 HB3 LEU 4 11.133 0.860 -2.475 39 HG LEU 4 HG LEU 4 12.281 3.098 -2.067 40 HD11 LEU 4 HD11 LEU 4 14.608 1.687 -3.353 41 HD12 LEU 4 HD12 LEU 4 14.527 2.268 -1.689 42 HD13 LEU 4 HD13 LEU 4 14.482 3.415 -3.028 43 HD21 LEU 4 HD21 LEU 4 12.537 1.901 -4.828 44 HD22 LEU 4 HD22 LEU 4 12.493 3.616 -4.441 45 HD23 LEU 4 HD23 LEU 4 11.075 2.612 -4.147 46 H ALA 5 H ALA 5 12.554 2.944 0.303 47 HA ALA 5 HA ALA 5 10.621 2.782 2.288 48 HB1 ALA 5 HB1 ALA 5 11.602 5.268 0.916 49 HB2 ALA 5 HB2 ALA 5 12.467 4.425 2.192 50 HB3 ALA 5 HB3 ALA 5 10.896 5.160 2.531 51 H TYR 6 H TYR 6 10.404 4.019 -0.913 52 HA TYR 6 HA TYR 6 7.689 4.860 -0.585 53 HB2 TYR 6 HB2 TYR 6 9.322 4.645 -3.117 54 HB3 TYR 6 HB3 TYR 6 7.685 5.268 -3.033 55 HD1 TYR 6 HD1 TYR 6 11.174 6.013 -2.449 56 HD2 TYR 6 HD2 TYR 6 7.193 7.316 -1.752 57 HE1 TYR 6 HE1 TYR 6 12.008 8.254 -1.877 58 HE2 TYR 6 HE2 TYR 6 8.001 9.538 -1.196 59 HH TYR 6 HH TYR 6 11.133 10.567 -1.890 60 H ASN 7 H ASN 7 9.215 1.999 -1.629 61 HA ASN 7 HA ASN 7 6.841 1.028 -2.875 62 HB2 ASN 7 HB2 ASN 7 9.413 -0.444 -2.252 63 HB3 ASN 7 HB3 ASN 7 8.010 -1.204 -2.982 64 HD21 ASN 7 HD21 ASN 7 8.972 -1.655 -4.919 65 HD22 ASN 7 HD22 ASN 7 9.453 -0.443 -6.047 66 H MET 8 H MET 8 8.531 0.340 0.113 67 HA MET 8 HA MET 8 6.422 -1.374 0.969 68 HB2 MET 8 HB2 MET 8 8.651 -1.848 1.715 69 HB3 MET 8 HB3 MET 8 8.799 -0.258 2.438 70 HG2 MET 8 HG2 MET 8 8.428 -1.555 4.296 71 HG3 MET 8 HG3 MET 8 6.804 -1.023 3.918 72 HE1 MET 8 HE1 MET 8 5.013 -2.614 2.631 73 HE2 MET 8 HE2 MET 8 5.243 -4.347 2.398 74 HE3 MET 8 HE3 MET 8 6.121 -3.218 1.382 75 H GLY 9 H GLY 9 7.621 1.742 2.263 76 HA2 GLY 9 HA2 GLY 9 5.474 1.930 4.076 77 HA3 GLY 9 HA3 GLY 9 6.682 3.151 3.754 78 H HIS 10 H HIS 10 6.121 3.540 0.999 79 HA HIS 10 HA HIS 10 3.936 5.365 1.382 80 HB2 HIS 10 HB2 HIS 10 5.941 5.798 -0.096 81 HB3 HIS 10 HB3 HIS 10 5.224 4.694 -1.268 82 HD1 HIS 10 HD1 HIS 10 3.975 7.732 0.705 83 HD2 HIS 10 HD2 HIS 10 3.984 6.119 -3.116 84 HE1 HIS 10 HE1 HIS 10 2.669 9.282 -0.646 85 H TYR 11 H TYR 11 4.252 2.287 -0.363 86 HA TYR 11 HA TYR 11 1.552 2.337 -1.241 87 HB2 TYR 11 HB2 TYR 11 3.553 0.124 -1.072 88 HB3 TYR 11 HB3 TYR 11 1.875 -0.218 -1.458 89 HD1 TYR 11 HD1 TYR 11 4.962 1.196 -2.629 90 HD2 TYR 11 HD2 TYR 11 0.880 0.629 -3.493 91 HE1 TYR 11 HE1 TYR 11 5.399 1.773 -5.005 92 HE2 TYR 11 HE2 TYR 11 1.245 1.194 -5.828 93 HH TYR 11 HH TYR 11 4.361 1.398 -7.182 94 H ALA 12 H ALA 12 3.080 1.241 1.687 95 HA ALA 12 HA ALA 12 0.982 -0.272 2.727 96 HB1 ALA 12 HB1 ALA 12 3.228 -0.144 3.737 97 HB2 ALA 12 HB2 ALA 12 1.947 0.151 4.913 98 HB3 ALA 12 HB3 ALA 12 2.876 1.504 4.264 99 H GLY 13 H GLY 13 1.460 3.176 2.595 100 HA2 GLY 13 HA2 GLY 13 -0.794 3.805 4.234 101 HA3 GLY 13 HA3 GLY 13 0.052 4.909 3.153 102 H LYS 14 H LYS 14 -0.242 3.693 0.742 103 HA LYS 14 HA LYS 14 -2.866 4.550 0.127 104 HB2 LYS 14 HB2 LYS 14 -0.631 3.580 -1.597 105 HB3 LYS 14 HB3 LYS 14 -2.253 3.673 -2.269 106 HG2 LYS 14 HG2 LYS 14 -1.132 5.687 -2.828 107 HG3 LYS 14 HG3 LYS 14 -2.325 6.063 -1.593 108 HD2 LYS 14 HD2 LYS 14 -0.501 5.965 0.105 109 HD3 LYS 14 HD3 LYS 14 0.657 5.768 -1.209 110 HE2 LYS 14 HE2 LYS 14 -1.191 8.109 -0.767 111 HE3 LYS 14 HE3 LYS 14 0.548 8.089 -0.520 112 HZ1 LYS 14 HZ1 LYS 14 0.870 7.800 -2.901 113 HZ2 LYS 14 HZ2 LYS 14 -0.156 9.121 -2.668 114 HZ3 LYS 14 HZ3 LYS 14 -0.774 7.653 -3.130 115 H ALA 15 H ALA 15 -1.441 1.362 0.272 116 HA ALA 15 HA ALA 15 -3.710 0.117 -0.869 117 HB1 ALA 15 HB1 ALA 15 -1.542 -0.988 -0.879 118 HB2 ALA 15 HB2 ALA 15 -2.776 -1.966 -0.071 119 HB3 ALA 15 HB3 ALA 15 -1.578 -1.092 0.889 120 H THR 16 H THR 16 -2.874 1.112 2.339 121 HA THR 16 HA THR 16 -4.979 -0.425 3.477 122 HB THR 16 HB THR 16 -3.590 1.914 4.809 123 HG1 THR 16 HG1 THR 16 -1.927 0.530 4.521 124 HG21 THR 16 HG21 THR 16 -4.206 0.705 6.875 125 HG22 THR 16 HG22 THR 16 -4.973 -0.546 5.892 126 HG23 THR 16 HG23 THR 16 -5.644 1.088 5.916 127 H ILE 17 H ILE 17 -4.653 2.918 2.347 128 HA ILE 17 HA ILE 17 -7.313 3.428 3.245 129 HB ILE 17 HB ILE 17 -5.855 5.337 3.230 130 HG12 ILE 17 HG12 ILE 17 -7.203 6.987 1.918 131 HG13 ILE 17 HG13 ILE 17 -8.009 5.640 1.129 132 HG21 ILE 17 HG21 ILE 17 -4.344 4.769 1.476 133 HG22 ILE 17 HG22 ILE 17 -5.008 6.385 1.184 134 HG23 ILE 17 HG23 ILE 17 -5.607 4.997 0.265 135 HD11 ILE 17 HD11 ILE 17 -8.913 4.913 3.274 136 HD12 ILE 17 HD12 ILE 17 -9.357 6.584 2.933 137 HD13 ILE 17 HD13 ILE 17 -8.064 6.229 4.078 138 H PHE 18 H PHE 18 -5.945 3.003 -0.035 139 HA PHE 18 HA PHE 18 -8.587 3.052 -1.126 140 HB2 PHE 18 HB2 PHE 18 -5.956 2.464 -2.478 141 HB3 PHE 18 HB3 PHE 18 -7.505 2.640 -3.300 142 HD1 PHE 18 HD1 PHE 18 -8.719 4.931 -2.088 143 HD2 PHE 18 HD2 PHE 18 -4.622 4.259 -3.008 144 HE1 PHE 18 HE1 PHE 18 -8.365 7.362 -2.250 145 HE2 PHE 18 HE2 PHE 18 -4.263 6.678 -3.176 146 HZ PHE 18 HZ PHE 18 -6.137 8.240 -2.798 147 H GLY 19 H GLY 19 -6.035 0.590 -1.226 148 HA2 GLY 19 HA2 GLY 19 -7.496 -1.519 -2.263 149 HA3 GLY 19 HA3 GLY 19 -6.106 -1.680 -1.199 150 H LEU 20 H LEU 20 -6.879 -0.881 1.159 151 HA LEU 20 HA LEU 20 -8.440 -3.016 2.042 152 HB2 LEU 20 HB2 LEU 20 -6.776 -1.352 3.252 153 HB3 LEU 20 HB3 LEU 20 -8.288 -0.624 3.748 154 HG LEU 20 HG LEU 20 -8.961 -2.974 4.461 155 HD11 LEU 20 HD11 LEU 20 -5.996 -3.276 4.322 156 HD12 LEU 20 HD12 LEU 20 -7.153 -4.099 3.275 157 HD13 LEU 20 HD13 LEU 20 -7.114 -4.459 5.012 158 HD21 LEU 20 HD21 LEU 20 -8.474 -1.175 6.034 159 HD22 LEU 20 HD22 LEU 20 -6.751 -1.562 5.947 160 HD23 LEU 20 HD23 LEU 20 -7.901 -2.736 6.613 161 H ALA 21 H ALA 21 -9.395 0.280 1.136 162 HA ALA 21 HA ALA 21 -11.940 0.292 2.324 163 HB1 ALA 21 HB1 ALA 21 -10.897 2.327 1.431 164 HB2 ALA 21 HB2 ALA 21 -12.496 2.056 0.730 165 HB3 ALA 21 HB3 ALA 21 -11.046 1.679 -0.200 166 H ALA 22 H ALA 22 -10.712 -1.264 -0.484 167 HA ALA 22 HA ALA 22 -13.225 -1.751 -1.709 168 HB1 ALA 22 HB1 ALA 22 -11.146 -1.892 -2.985 169 HB2 ALA 22 HB2 ALA 22 -12.059 -3.402 -3.060 170 HB3 ALA 22 HB3 ALA 22 -10.641 -3.278 -2.010 171 H TRP 23 H TRP 23 -11.395 -3.312 0.807 172 HA TRP 23 HA TRP 23 -13.238 -5.534 0.716 173 HB2 TRP 23 HB2 TRP 23 -10.557 -5.423 1.404 174 HB3 TRP 23 HB3 TRP 23 -11.390 -5.552 2.941 175 HD1 TRP 23 HD1 TRP 23 -11.423 -8.046 3.637 176 HE1 TRP 23 HE1 TRP 23 -12.032 -10.264 2.476 177 HE3 TRP 23 HE3 TRP 23 -12.222 -6.298 -1.103 178 HZ2 TRP 23 HZ2 TRP 23 -12.746 -11.150 -0.107 179 HZ3 TRP 23 HZ3 TRP 23 -12.883 -7.863 -2.847 180 HH2 TRP 23 HH2 TRP 23 -13.134 -10.260 -2.374 181 H ALA 24 H ALA 24 -12.381 -2.890 2.822 182 HA ALA 24 HA ALA 24 -14.281 -3.660 4.803 183 HB1 ALA 24 HB1 ALA 24 -13.799 -1.514 5.839 184 HB2 ALA 24 HB2 ALA 24 -12.893 -1.016 4.408 185 HB3 ALA 24 HB3 ALA 24 -12.320 -2.360 5.395 186 H LEU 25 H LEU 25 -14.220 -0.939 2.532 187 HA LEU 25 HA LEU 25 -16.935 -0.289 3.199 188 HB2 LEU 25 HB2 LEU 25 -14.883 1.051 1.499 189 HB3 LEU 25 HB3 LEU 25 -16.556 1.585 1.457 190 HG LEU 25 HG LEU 25 -15.393 3.073 2.877 191 HD11 LEU 25 HD11 LEU 25 -16.802 1.134 4.675 192 HD12 LEU 25 HD12 LEU 25 -17.540 2.451 3.765 193 HD13 LEU 25 HD13 LEU 25 -16.397 2.802 5.064 194 HD21 LEU 25 HD21 LEU 25 -14.245 0.699 4.337 195 HD22 LEU 25 HD22 LEU 25 -14.021 2.394 4.791 196 HD23 LEU 25 HD23 LEU 25 -13.355 1.796 3.275 197 H LEU 26 H LEU 26 -15.363 -1.860 0.492 198 HA LEU 26 HA LEU 26 -17.722 -1.477 -1.157 199 HB2 LEU 26 HB2 LEU 26 -15.583 -1.061 -2.189 200 HB3 LEU 26 HB3 LEU 26 -15.025 -2.649 -1.720 201 HG LEU 26 HG LEU 26 -16.795 -3.575 -3.204 202 HD11 LEU 26 HD11 LEU 26 -18.200 -1.649 -3.479 203 HD12 LEU 26 HD12 LEU 26 -17.592 -2.162 -5.055 204 HD13 LEU 26 HD13 LEU 26 -16.894 -0.755 -4.260 205 HD21 LEU 26 HD21 LEU 26 -15.406 -3.296 -5.243 206 HD22 LEU 26 HD22 LEU 26 -14.476 -3.667 -3.800 207 HD23 LEU 26 HD23 LEU 26 -14.521 -2.010 -4.419 208 H ALA 27 H ALA 27 -16.448 -3.802 0.852 209 HA ALA 27 HA ALA 27 -18.047 -5.890 -0.458 210 HB1 ALA 27 HB1 ALA 27 -15.659 -6.445 -0.307 211 HB2 ALA 27 HB2 ALA 27 -16.643 -7.555 0.640 212 HB3 ALA 27 HB3 ALA 27 -15.732 -6.284 1.448 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 -13.580 -11.675 1.701 2 H2 ARG 1 HT2 ARG 1 -12.282 -10.863 0.968 3 H3 ARG 1 HT3 ARG 1 -12.946 -12.224 0.246 4 HA ARG 1 HA ARG 1 -13.576 -10.206 -0.861 5 HB2 ARG 1 HB2 ARG 1 -15.054 -12.261 -0.740 6 HB3 ARG 1 HB3 ARG 1 -15.941 -11.457 0.546 7 HG2 ARG 1 HG2 ARG 1 -16.391 -9.592 -1.066 8 HG3 ARG 1 HG3 ARG 1 -15.718 -10.616 -2.340 9 HD2 ARG 1 HD2 ARG 1 -18.104 -10.851 -2.352 10 HD3 ARG 1 HD3 ARG 1 -17.401 -12.344 -1.732 11 HE ARG 1 HE ARG 1 -18.510 -10.237 0.006 12 HH11 ARG 1 HH11 ARG 1 -18.117 -13.701 -0.746 13 HH12 ARG 1 HH12 ARG 1 -19.143 -14.196 0.506 14 HH21 ARG 1 HH21 ARG 1 -19.865 -11.001 1.791 15 HH22 ARG 1 HH22 ARG 1 -20.067 -12.678 1.966 16 H ASN 2 H ASN 2 -13.368 -9.864 2.408 17 HA ASN 2 HA ASN 2 -15.302 -7.743 2.564 18 HB2 ASN 2 HB2 ASN 2 -14.953 -9.304 4.504 19 HB3 ASN 2 HB3 ASN 2 -13.355 -8.610 4.722 20 HD21 ASN 2 HD21 ASN 2 -15.749 -8.654 6.471 21 HD22 ASN 2 HD22 ASN 2 -16.057 -6.999 6.876 22 H LYS 3 H LYS 3 -14.721 -6.190 1.386 23 HA LYS 3 HA LYS 3 -12.109 -4.878 1.751 24 HB2 LYS 3 HB2 LYS 3 -12.334 -4.214 -0.598 25 HB3 LYS 3 HB3 LYS 3 -12.165 -5.957 -0.399 26 HG2 LYS 3 HG2 LYS 3 -14.453 -6.319 -0.722 27 HG3 LYS 3 HG3 LYS 3 -14.756 -4.584 -0.529 28 HD2 LYS 3 HD2 LYS 3 -13.143 -5.695 -2.800 29 HD3 LYS 3 HD3 LYS 3 -14.896 -5.480 -2.896 30 HE2 LYS 3 HE2 LYS 3 -14.555 -3.106 -2.239 31 HE3 LYS 3 HE3 LYS 3 -12.826 -3.353 -2.392 32 HZ1 LYS 3 HZ1 LYS 3 -13.838 -2.426 -4.439 33 HZ2 LYS 3 HZ2 LYS 3 -14.775 -3.823 -4.574 34 HZ3 LYS 3 HZ3 LYS 3 -13.113 -3.923 -4.708 35 H LEU 4 H LEU 4 -12.379 -2.665 0.609 36 HA LEU 4 HA LEU 4 -14.856 -1.322 0.692 37 HB2 LEU 4 HB2 LEU 4 -14.156 -1.555 3.102 38 HB3 LEU 4 HB3 LEU 4 -12.743 -0.576 2.739 39 HG LEU 4 HG LEU 4 -14.414 1.239 2.008 40 HD11 LEU 4 HD11 LEU 4 -16.619 1.131 2.966 41 HD12 LEU 4 HD12 LEU 4 -16.287 -0.474 3.610 42 HD13 LEU 4 HD13 LEU 4 -16.390 -0.236 1.871 43 HD21 LEU 4 HD21 LEU 4 -14.324 0.421 4.915 44 HD22 LEU 4 HD22 LEU 4 -14.764 2.011 4.310 45 HD23 LEU 4 HD23 LEU 4 -13.129 1.407 4.073 46 H ALA 5 H ALA 5 -14.378 0.882 -0.055 47 HA ALA 5 HA ALA 5 -12.409 0.945 -2.038 48 HB1 ALA 5 HB1 ALA 5 -13.881 3.253 -0.793 49 HB2 ALA 5 HB2 ALA 5 -14.489 2.232 -2.093 50 HB3 ALA 5 HB3 ALA 5 -13.071 3.249 -2.362 51 H TYR 6 H TYR 6 -12.434 2.022 1.219 52 HA TYR 6 HA TYR 6 -9.857 3.283 0.935 53 HB2 TYR 6 HB2 TYR 6 -11.614 2.930 3.355 54 HB3 TYR 6 HB3 TYR 6 -9.997 3.616 3.438 55 HD1 TYR 6 HD1 TYR 6 -9.481 5.723 2.312 56 HD2 TYR 6 HD2 TYR 6 -13.452 4.221 2.522 57 HE1 TYR 6 HE1 TYR 6 -10.332 7.943 1.747 58 HE2 TYR 6 HE2 TYR 6 -14.325 6.453 1.941 59 HH TYR 6 HH TYR 6 -12.399 8.849 0.688 60 H ASN 7 H ASN 7 -11.025 0.251 1.670 61 HA ASN 7 HA ASN 7 -8.714 -0.653 3.096 62 HB2 ASN 7 HB2 ASN 7 -10.754 -1.812 3.563 63 HB3 ASN 7 HB3 ASN 7 -11.038 -2.141 1.861 64 HD21 ASN 7 HD21 ASN 7 -9.194 -3.035 4.698 65 HD22 ASN 7 HD22 ASN 7 -8.642 -4.545 4.097 66 H MET 8 H MET 8 -10.006 -1.410 -0.105 67 HA MET 8 HA MET 8 -7.449 -2.426 -0.811 68 HB2 MET 8 HB2 MET 8 -9.971 -2.145 -2.412 69 HB3 MET 8 HB3 MET 8 -8.469 -2.746 -3.113 70 HG2 MET 8 HG2 MET 8 -9.684 -4.006 -0.683 71 HG3 MET 8 HG3 MET 8 -10.261 -4.402 -2.293 72 HE1 MET 8 HE1 MET 8 -7.204 -4.506 0.200 73 HE2 MET 8 HE2 MET 8 -6.282 -3.875 -1.187 74 HE3 MET 8 HE3 MET 8 -6.060 -5.521 -0.655 75 H GLY 9 H GLY 9 -9.319 0.268 -2.161 76 HA2 GLY 9 HA2 GLY 9 -7.289 1.110 -3.915 77 HA3 GLY 9 HA3 GLY 9 -8.689 2.048 -3.439 78 H HIS 10 H HIS 10 -8.248 2.445 -0.802 79 HA HIS 10 HA HIS 10 -6.378 4.606 -0.883 80 HB2 HIS 10 HB2 HIS 10 -8.404 4.535 0.528 81 HB3 HIS 10 HB3 HIS 10 -7.608 3.351 1.569 82 HD1 HIS 10 HD1 HIS 10 -6.974 6.875 0.262 83 HD2 HIS 10 HD2 HIS 10 -6.330 4.495 3.585 84 HE1 HIS 10 HE1 HIS 10 -5.857 8.306 1.846 85 H TYR 11 H TYR 11 -6.157 1.374 0.597 86 HA TYR 11 HA TYR 11 -3.531 1.807 1.544 87 HB2 TYR 11 HB2 TYR 11 -5.166 -0.626 1.131 88 HB3 TYR 11 HB3 TYR 11 -3.443 -0.805 1.420 89 HD1 TYR 11 HD1 TYR 11 -2.500 -0.374 3.554 90 HD2 TYR 11 HD2 TYR 11 -6.634 0.285 2.882 91 HE1 TYR 11 HE1 TYR 11 -2.842 -0.204 5.965 92 HE2 TYR 11 HE2 TYR 11 -7.002 0.456 5.312 93 HH TYR 11 HH TYR 11 -5.908 -0.266 7.425 94 H ALA 12 H ALA 12 -4.765 0.612 -1.526 95 HA ALA 12 HA ALA 12 -2.394 -0.388 -2.583 96 HB1 ALA 12 HB1 ALA 12 -3.347 0.041 -4.789 97 HB2 ALA 12 HB2 ALA 12 -4.553 1.106 -4.068 98 HB3 ALA 12 HB3 ALA 12 -4.567 -0.622 -3.697 99 H GLY 13 H GLY 13 -3.611 2.885 -2.490 100 HA2 GLY 13 HA2 GLY 13 -1.550 4.083 -3.993 101 HA3 GLY 13 HA3 GLY 13 -2.594 4.903 -2.843 102 H LYS 14 H LYS 14 -1.902 3.540 -0.528 103 HA LYS 14 HA LYS 14 0.497 4.984 0.045 104 HB2 LYS 14 HB2 LYS 14 -1.449 3.512 1.748 105 HB3 LYS 14 HB3 LYS 14 0.136 3.890 2.398 106 HG2 LYS 14 HG2 LYS 14 -1.388 5.608 3.076 107 HG3 LYS 14 HG3 LYS 14 -0.285 6.285 1.886 108 HD2 LYS 14 HD2 LYS 14 -2.021 5.993 0.163 109 HD3 LYS 14 HD3 LYS 14 -3.127 5.411 1.411 110 HE2 LYS 14 HE2 LYS 14 -1.818 8.118 1.287 111 HE3 LYS 14 HE3 LYS 14 -3.520 7.775 0.972 112 HZ1 LYS 14 HZ1 LYS 14 -3.214 8.642 3.156 113 HZ2 LYS 14 HZ2 LYS 14 -2.086 7.465 3.540 114 HZ3 LYS 14 HZ3 LYS 14 -3.693 7.033 3.326 115 H ALA 15 H ALA 15 -0.360 1.618 -0.244 116 HA ALA 15 HA ALA 15 2.055 0.663 0.827 117 HB1 ALA 15 HB1 ALA 15 1.469 -1.475 -0.121 118 HB2 ALA 15 HB2 ALA 15 0.164 -0.726 -1.059 119 HB3 ALA 15 HB3 ALA 15 0.083 -0.759 0.705 120 H THR 16 H THR 16 1.160 1.701 -2.360 121 HA THR 16 HA THR 16 3.537 0.582 -3.477 122 HB THR 16 HB THR 16 1.817 2.724 -4.747 123 HG1 THR 16 HG1 THR 16 1.226 0.184 -4.136 124 HG21 THR 16 HG21 THR 16 4.031 2.431 -5.752 125 HG22 THR 16 HG22 THR 16 2.785 1.787 -6.836 126 HG23 THR 16 HG23 THR 16 3.761 0.697 -5.844 127 H ILE 17 H ILE 17 2.645 3.794 -2.267 128 HA ILE 17 HA ILE 17 5.219 4.754 -3.059 129 HB ILE 17 HB ILE 17 3.444 6.403 -3.053 130 HG12 ILE 17 HG12 ILE 17 5.422 7.012 -0.849 131 HG13 ILE 17 HG13 ILE 17 5.701 7.234 -2.569 132 HG21 ILE 17 HG21 ILE 17 3.150 5.941 -0.091 133 HG22 ILE 17 HG22 ILE 17 1.978 5.537 -1.352 134 HG23 ILE 17 HG23 ILE 17 2.357 7.218 -1.011 135 HD11 ILE 17 HD11 ILE 17 5.219 9.353 -1.489 136 HD12 ILE 17 HD12 ILE 17 3.684 8.727 -0.892 137 HD13 ILE 17 HD13 ILE 17 3.936 8.937 -2.626 138 H PHE 18 H PHE 18 3.799 4.053 0.130 139 HA PHE 18 HA PHE 18 6.340 4.435 1.387 140 HB2 PHE 18 HB2 PHE 18 3.734 3.488 2.528 141 HB3 PHE 18 HB3 PHE 18 5.173 3.885 3.484 142 HD1 PHE 18 HD1 PHE 18 6.166 6.270 2.611 143 HD2 PHE 18 HD2 PHE 18 2.109 5.050 2.630 144 HE1 PHE 18 HE1 PHE 18 5.473 8.627 2.668 145 HE2 PHE 18 HE2 PHE 18 1.386 7.411 2.687 146 HZ PHE 18 HZ PHE 18 3.084 9.205 2.697 147 H GLY 19 H GLY 19 4.123 1.669 1.304 148 HA2 GLY 19 HA2 GLY 19 5.734 -0.256 2.451 149 HA3 GLY 19 HA3 GLY 19 4.457 -0.562 1.284 150 H LEU 20 H LEU 20 5.373 0.406 -0.995 151 HA LEU 20 HA LEU 20 7.244 -1.527 -1.776 152 HB2 LEU 20 HB2 LEU 20 5.532 0.030 -3.116 153 HB3 LEU 20 HB3 LEU 20 7.032 0.866 -3.466 154 HG LEU 20 HG LEU 20 7.916 -1.460 -4.094 155 HD11 LEU 20 HD11 LEU 20 6.028 -2.691 -3.163 156 HD12 LEU 20 HD12 LEU 20 6.211 -3.018 -4.892 157 HD13 LEU 20 HD13 LEU 20 4.962 -1.902 -4.321 158 HD21 LEU 20 HD21 LEU 20 5.862 -0.073 -5.808 159 HD22 LEU 20 HD22 LEU 20 7.110 -1.195 -6.379 160 HD23 LEU 20 HD23 LEU 20 7.571 0.355 -5.679 161 H ALA 21 H ALA 21 7.683 1.852 -0.763 162 HA ALA 21 HA ALA 21 10.375 2.066 -1.596 163 HB1 ALA 21 HB1 ALA 21 8.975 3.467 0.681 164 HB2 ALA 21 HB2 ALA 21 9.023 4.031 -0.988 165 HB3 ALA 21 HB3 ALA 21 10.507 3.952 -0.041 166 H ALA 22 H ALA 22 8.829 0.635 1.120 167 HA ALA 22 HA ALA 22 11.179 0.277 2.686 168 HB1 ALA 22 HB1 ALA 22 9.862 -1.302 3.982 169 HB2 ALA 22 HB2 ALA 22 8.593 -1.280 2.755 170 HB3 ALA 22 HB3 ALA 22 8.939 0.174 3.694 171 H TRP 23 H TRP 23 9.672 -1.447 0.117 172 HA TRP 23 HA TRP 23 11.405 -3.724 0.526 173 HB2 TRP 23 HB2 TRP 23 8.858 -3.422 -0.543 174 HB3 TRP 23 HB3 TRP 23 9.892 -3.845 -1.912 175 HD1 TRP 23 HD1 TRP 23 9.756 -6.373 -2.253 176 HE1 TRP 23 HE1 TRP 23 9.842 -8.441 -0.723 177 HE3 TRP 23 HE3 TRP 23 9.938 -4.009 2.264 178 HZ2 TRP 23 HZ2 TRP 23 9.974 -8.976 2.062 179 HZ3 TRP 23 HZ3 TRP 23 10.059 -5.326 4.297 180 HH2 TRP 23 HH2 TRP 23 10.086 -7.770 4.216 181 H ALA 24 H ALA 24 10.933 -1.227 -1.902 182 HA ALA 24 HA ALA 24 13.106 -2.170 -3.460 183 HB1 ALA 24 HB1 ALA 24 11.673 0.464 -3.540 184 HB2 ALA 24 HB2 ALA 24 11.241 -0.966 -4.471 185 HB3 ALA 24 HB3 ALA 24 12.776 -0.139 -4.773 186 H LEU 25 H LEU 25 12.635 0.750 -1.521 187 HA LEU 25 HA LEU 25 15.384 1.524 -1.842 188 HB2 LEU 25 HB2 LEU 25 13.115 2.818 -0.386 189 HB3 LEU 25 HB3 LEU 25 14.725 3.516 -0.571 190 HG LEU 25 HG LEU 25 12.707 2.926 -2.744 191 HD11 LEU 25 HD11 LEU 25 12.129 4.845 -1.401 192 HD12 LEU 25 HD12 LEU 25 12.618 5.336 -3.026 193 HD13 LEU 25 HD13 LEU 25 13.727 5.542 -1.671 194 HD21 LEU 25 HD21 LEU 25 14.965 2.576 -3.604 195 HD22 LEU 25 HD22 LEU 25 15.461 4.143 -2.974 196 HD23 LEU 25 HD23 LEU 25 14.262 4.048 -4.268 197 H LEU 26 H LEU 26 13.599 -0.088 0.680 198 HA LEU 26 HA LEU 26 15.708 0.571 2.595 199 HB2 LEU 26 HB2 LEU 26 13.439 1.022 3.329 200 HB3 LEU 26 HB3 LEU 26 12.976 -0.623 2.957 201 HG LEU 26 HG LEU 26 14.556 -1.358 4.712 202 HD11 LEU 26 HD11 LEU 26 15.196 0.259 6.450 203 HD12 LEU 26 HD12 LEU 26 14.559 1.563 5.440 204 HD13 LEU 26 HD13 LEU 26 15.937 0.610 4.888 205 HD21 LEU 26 HD21 LEU 26 12.180 -1.363 5.113 206 HD22 LEU 26 HD22 LEU 26 12.207 0.349 5.530 207 HD23 LEU 26 HD23 LEU 26 13.008 -0.829 6.575 208 H ALA 27 H ALA 27 14.685 -1.891 0.630 209 HA ALA 27 HA ALA 27 16.154 -3.895 2.212 210 HB1 ALA 27 HB1 ALA 27 14.073 -4.417 0.093 211 HB2 ALA 27 HB2 ALA 27 13.769 -4.449 1.825 212 HB3 ALA 27 HB3 ALA 27 14.857 -5.634 1.102 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 18.650 -9.880 -0.781 2 H2 ARG 1 HT2 ARG 1 17.978 -9.767 -2.340 3 H3 ARG 1 HT3 ARG 1 17.086 -10.428 -1.102 4 HA ARG 1 HA ARG 1 17.023 -8.327 0.053 5 HB2 ARG 1 HB2 ARG 1 18.283 -7.331 -2.505 6 HB3 ARG 1 HB3 ARG 1 17.756 -6.341 -1.155 7 HG2 ARG 1 HG2 ARG 1 19.492 -7.239 0.247 8 HG3 ARG 1 HG3 ARG 1 19.967 -8.394 -0.991 9 HD2 ARG 1 HD2 ARG 1 20.152 -5.390 -1.150 10 HD3 ARG 1 HD3 ARG 1 21.488 -6.536 -1.012 11 HE ARG 1 HE ARG 1 20.329 -7.365 -3.240 12 HH11 ARG 1 HH11 ARG 1 21.296 -4.137 -2.191 13 HH12 ARG 1 HH12 ARG 1 21.496 -3.495 -3.742 14 HH21 ARG 1 HH21 ARG 1 20.631 -6.506 -5.447 15 HH22 ARG 1 HH22 ARG 1 21.127 -4.893 -5.631 16 H ASN 2 H ASN 2 15.309 -6.782 -0.599 17 HA ASN 2 HA ASN 2 13.935 -7.037 -3.080 18 HB2 ASN 2 HB2 ASN 2 13.415 -9.292 -2.149 19 HB3 ASN 2 HB3 ASN 2 12.652 -8.522 -0.769 20 HD21 ASN 2 HD21 ASN 2 12.416 -7.607 -4.207 21 HD22 ASN 2 HD22 ASN 2 10.718 -7.903 -4.308 22 H LYS 3 H LYS 3 13.839 -6.327 0.299 23 HA LYS 3 HA LYS 3 11.546 -4.581 0.046 24 HB2 LYS 3 HB2 LYS 3 11.926 -6.083 1.987 25 HB3 LYS 3 HB3 LYS 3 13.318 -5.108 2.419 26 HG2 LYS 3 HG2 LYS 3 11.523 -3.152 2.350 27 HG3 LYS 3 HG3 LYS 3 10.407 -4.490 2.616 28 HD2 LYS 3 HD2 LYS 3 11.010 -3.552 4.735 29 HD3 LYS 3 HD3 LYS 3 11.758 -5.145 4.594 30 HE2 LYS 3 HE2 LYS 3 13.888 -4.117 3.973 31 HE3 LYS 3 HE3 LYS 3 13.147 -2.522 4.005 32 HZ1 LYS 3 HZ1 LYS 3 12.805 -2.805 6.389 33 HZ2 LYS 3 HZ2 LYS 3 14.421 -3.023 5.990 34 HZ3 LYS 3 HZ3 LYS 3 13.451 -4.358 6.302 35 H LEU 4 H LEU 4 11.640 -2.389 0.696 36 HA LEU 4 HA LEU 4 14.014 -0.928 1.235 37 HB2 LEU 4 HB2 LEU 4 14.158 -1.151 -1.201 38 HB3 LEU 4 HB3 LEU 4 12.517 -0.566 -1.390 39 HG LEU 4 HG LEU 4 13.373 1.633 -0.387 40 HD11 LEU 4 HD11 LEU 4 15.711 2.081 -0.497 41 HD12 LEU 4 HD12 LEU 4 16.032 0.452 -1.075 42 HD13 LEU 4 HD13 LEU 4 15.442 0.698 0.567 43 HD21 LEU 4 HD21 LEU 4 12.885 1.377 -2.761 44 HD22 LEU 4 HD22 LEU 4 14.496 0.711 -3.021 45 HD23 LEU 4 HD23 LEU 4 14.310 2.388 -2.517 46 H ALA 5 H ALA 5 13.310 1.326 1.607 47 HA ALA 5 HA ALA 5 11.079 1.502 3.196 48 HB1 ALA 5 HB1 ALA 5 12.446 3.758 1.755 49 HB2 ALA 5 HB2 ALA 5 13.010 3.002 3.240 50 HB3 ALA 5 HB3 ALA 5 11.479 3.886 3.233 51 H TYR 6 H TYR 6 11.416 2.273 -0.154 52 HA TYR 6 HA TYR 6 8.767 3.293 -0.417 53 HB2 TYR 6 HB2 TYR 6 10.704 2.417 -2.545 54 HB3 TYR 6 HB3 TYR 6 9.115 3.071 -2.886 55 HD1 TYR 6 HD1 TYR 6 8.589 5.384 -2.408 56 HD2 TYR 6 HD2 TYR 6 12.496 3.849 -1.803 57 HE1 TYR 6 HE1 TYR 6 9.466 7.675 -2.334 58 HE2 TYR 6 HE2 TYR 6 13.386 6.136 -1.718 59 HH TYR 6 HH TYR 6 12.815 8.318 -2.492 60 H ASN 7 H ASN 7 10.148 0.183 -0.637 61 HA ASN 7 HA ASN 7 7.983 -1.000 -2.066 62 HB2 ASN 7 HB2 ASN 7 10.243 -2.229 -0.487 63 HB3 ASN 7 HB3 ASN 7 8.988 -3.198 -1.248 64 HD21 ASN 7 HD21 ASN 7 9.051 -3.480 -3.456 65 HD22 ASN 7 HD22 ASN 7 10.315 -2.859 -4.456 66 H MET 8 H MET 8 8.991 -1.352 1.287 67 HA MET 8 HA MET 8 6.360 -2.323 1.871 68 HB2 MET 8 HB2 MET 8 8.154 -3.367 3.071 69 HB3 MET 8 HB3 MET 8 8.655 -1.830 3.753 70 HG2 MET 8 HG2 MET 8 7.394 -3.319 5.320 71 HG3 MET 8 HG3 MET 8 6.736 -1.700 5.132 72 HE1 MET 8 HE1 MET 8 6.259 -4.421 2.348 73 HE2 MET 8 HE2 MET 8 4.836 -5.298 2.914 74 HE3 MET 8 HE3 MET 8 6.363 -5.430 3.796 75 H GLY 9 H GLY 9 8.144 0.520 3.040 76 HA2 GLY 9 HA2 GLY 9 6.015 1.474 4.617 77 HA3 GLY 9 HA3 GLY 9 7.438 2.381 4.150 78 H HIS 10 H HIS 10 7.158 2.531 1.432 79 HA HIS 10 HA HIS 10 5.222 4.637 1.227 80 HB2 HIS 10 HB2 HIS 10 7.343 4.579 -0.081 81 HB3 HIS 10 HB3 HIS 10 6.663 3.274 -1.059 82 HD1 HIS 10 HD1 HIS 10 5.704 6.808 -0.046 83 HD2 HIS 10 HD2 HIS 10 5.501 4.188 -3.250 84 HE1 HIS 10 HE1 HIS 10 4.595 8.055 -1.798 85 H TYR 11 H TYR 11 5.295 1.322 -0.002 86 HA TYR 11 HA TYR 11 2.778 1.562 -1.227 87 HB2 TYR 11 HB2 TYR 11 4.493 -0.762 -0.582 88 HB3 TYR 11 HB3 TYR 11 2.799 -1.027 -0.971 89 HD1 TYR 11 HD1 TYR 11 1.915 -0.297 -3.100 90 HD2 TYR 11 HD2 TYR 11 6.045 -0.226 -2.257 91 HE1 TYR 11 HE1 TYR 11 2.343 -0.175 -5.487 92 HE2 TYR 11 HE2 TYR 11 6.547 -0.079 -4.684 93 HH TYR 11 HH TYR 11 5.388 -0.730 -6.814 94 H ALA 12 H ALA 12 3.691 0.817 2.033 95 HA ALA 12 HA ALA 12 1.356 -0.398 2.891 96 HB1 ALA 12 HB1 ALA 12 1.916 0.383 5.129 97 HB2 ALA 12 HB2 ALA 12 3.045 1.559 4.452 98 HB3 ALA 12 HB3 ALA 12 3.366 -0.169 4.289 99 H GLY 13 H GLY 13 2.069 2.985 2.380 100 HA2 GLY 13 HA2 GLY 13 -0.388 3.974 3.437 101 HA3 GLY 13 HA3 GLY 13 0.701 4.848 2.370 102 H LYS 14 H LYS 14 0.716 3.191 0.163 103 HA LYS 14 HA LYS 14 -1.732 4.005 -1.031 104 HB2 LYS 14 HB2 LYS 14 0.648 2.555 -2.143 105 HB3 LYS 14 HB3 LYS 14 -0.825 2.690 -3.090 106 HG2 LYS 14 HG2 LYS 14 0.649 4.441 -3.762 107 HG3 LYS 14 HG3 LYS 14 -0.670 5.172 -2.856 108 HD2 LYS 14 HD2 LYS 14 0.847 5.100 -0.836 109 HD3 LYS 14 HD3 LYS 14 2.154 4.656 -1.929 110 HE2 LYS 14 HE2 LYS 14 0.504 7.179 -2.071 111 HE3 LYS 14 HE3 LYS 14 2.152 7.057 -1.473 112 HZ1 LYS 14 HZ1 LYS 14 2.852 6.384 -3.701 113 HZ2 LYS 14 HZ2 LYS 14 2.086 7.886 -3.690 114 HZ3 LYS 14 HZ3 LYS 14 1.253 6.554 -4.258 115 H ALA 15 H ALA 15 -0.545 0.973 0.124 116 HA ALA 15 HA ALA 15 -2.595 -0.582 -0.989 117 HB1 ALA 15 HB1 ALA 15 -0.869 -1.122 1.423 118 HB2 ALA 15 HB2 ALA 15 -0.514 -1.583 -0.249 119 HB3 ALA 15 HB3 ALA 15 -1.896 -2.297 0.596 120 H THR 16 H THR 16 -2.399 1.383 1.862 121 HA THR 16 HA THR 16 -4.735 0.259 3.035 122 HB THR 16 HB THR 16 -3.559 2.994 3.625 123 HG1 THR 16 HG1 THR 16 -1.953 1.365 4.009 124 HG21 THR 16 HG21 THR 16 -4.664 2.716 5.792 125 HG22 THR 16 HG22 THR 16 -5.186 1.108 5.320 126 HG23 THR 16 HG23 THR 16 -5.856 2.514 4.498 127 H ILE 17 H ILE 17 -4.080 3.032 0.886 128 HA ILE 17 HA ILE 17 -6.869 3.685 0.974 129 HB ILE 17 HB ILE 17 -5.423 5.563 0.613 130 HG12 ILE 17 HG12 ILE 17 -6.987 4.957 -1.921 131 HG13 ILE 17 HG13 ILE 17 -7.594 5.745 -0.471 132 HG21 ILE 17 HG21 ILE 17 -4.011 5.858 -1.386 133 HG22 ILE 17 HG22 ILE 17 -4.394 4.199 -1.849 134 HG23 ILE 17 HG23 ILE 17 -3.524 4.515 -0.347 135 HD11 ILE 17 HD11 ILE 17 -7.187 7.354 -2.229 136 HD12 ILE 17 HD12 ILE 17 -5.509 6.822 -2.340 137 HD13 ILE 17 HD13 ILE 17 -6.080 7.621 -0.877 138 H PHE 18 H PHE 18 -4.799 2.311 -1.578 139 HA PHE 18 HA PHE 18 -7.095 1.839 -3.208 140 HB2 PHE 18 HB2 PHE 18 -4.221 1.075 -3.652 141 HB3 PHE 18 HB3 PHE 18 -5.529 0.885 -4.828 142 HD1 PHE 18 HD1 PHE 18 -6.971 3.116 -5.040 143 HD2 PHE 18 HD2 PHE 18 -2.891 2.902 -3.960 144 HE1 PHE 18 HE1 PHE 18 -6.664 5.433 -5.825 145 HE2 PHE 18 HE2 PHE 18 -2.548 5.219 -4.715 146 HZ PHE 18 HZ PHE 18 -4.435 6.492 -5.653 147 H GLY 19 H GLY 19 -4.753 -0.248 -1.610 148 HA2 GLY 19 HA2 GLY 19 -5.830 -2.718 -2.444 149 HA3 GLY 19 HA3 GLY 19 -4.808 -2.465 -1.040 150 H LEU 20 H LEU 20 -6.116 -1.053 0.623 151 HA LEU 20 HA LEU 20 -8.071 -2.743 1.681 152 HB2 LEU 20 HB2 LEU 20 -6.873 -0.276 2.481 153 HB3 LEU 20 HB3 LEU 20 -8.591 -0.288 2.860 154 HG LEU 20 HG LEU 20 -8.255 -2.455 3.925 155 HD11 LEU 20 HD11 LEU 20 -6.100 -3.090 2.892 156 HD12 LEU 20 HD12 LEU 20 -5.951 -3.071 4.648 157 HD13 LEU 20 HD13 LEU 20 -5.319 -1.727 3.697 158 HD21 LEU 20 HD21 LEU 20 -6.760 -0.116 5.087 159 HD22 LEU 20 HD22 LEU 20 -7.292 -1.528 5.994 160 HD23 LEU 20 HD23 LEU 20 -8.481 -0.461 5.246 161 H ALA 21 H ALA 21 -8.478 0.028 -0.397 162 HA ALA 21 HA ALA 21 -11.237 0.332 -0.114 163 HB1 ALA 21 HB1 ALA 21 -9.656 0.676 -2.658 164 HB2 ALA 21 HB2 ALA 21 -9.865 1.907 -1.411 165 HB3 ALA 21 HB3 ALA 21 -11.256 1.342 -2.337 166 H ALA 22 H ALA 22 -9.419 -2.144 -1.715 167 HA ALA 22 HA ALA 22 -11.578 -3.191 -3.223 168 HB1 ALA 22 HB1 ALA 22 -9.271 -3.690 -3.810 169 HB2 ALA 22 HB2 ALA 22 -10.184 -5.174 -3.537 170 HB3 ALA 22 HB3 ALA 22 -9.060 -4.591 -2.310 171 H TRP 23 H TRP 23 -10.518 -3.614 0.072 172 HA TRP 23 HA TRP 23 -12.368 -5.838 0.360 173 HB2 TRP 23 HB2 TRP 23 -9.963 -5.400 1.538 174 HB3 TRP 23 HB3 TRP 23 -11.079 -4.802 2.769 175 HD1 TRP 23 HD1 TRP 23 -11.453 -6.651 4.491 176 HE1 TRP 23 HE1 TRP 23 -11.923 -9.178 4.395 177 HE3 TRP 23 HE3 TRP 23 -11.132 -7.315 -0.550 178 HZ2 TRP 23 HZ2 TRP 23 -12.153 -11.188 2.401 179 HZ3 TRP 23 HZ3 TRP 23 -11.501 -9.512 -1.489 180 HH2 TRP 23 HH2 TRP 23 -12.004 -11.446 -0.033 181 H ALA 24 H ALA 24 -11.938 -2.565 1.523 182 HA ALA 24 HA ALA 24 -14.362 -2.560 3.016 183 HB1 ALA 24 HB1 ALA 24 -12.464 -1.101 3.506 184 HB2 ALA 24 HB2 ALA 24 -13.956 -0.182 3.285 185 HB3 ALA 24 HB3 ALA 24 -12.746 -0.234 2.002 186 H LEU 25 H LEU 25 -13.524 -0.910 -0.026 187 HA LEU 25 HA LEU 25 -16.258 -0.098 -0.388 188 HB2 LEU 25 HB2 LEU 25 -13.757 0.497 -1.909 189 HB3 LEU 25 HB3 LEU 25 -15.330 0.948 -2.516 190 HG LEU 25 HG LEU 25 -15.639 2.356 -0.435 191 HD11 LEU 25 HD11 LEU 25 -13.703 2.974 0.884 192 HD12 LEU 25 HD12 LEU 25 -12.718 1.797 0.018 193 HD13 LEU 25 HD13 LEU 25 -14.052 1.253 1.034 194 HD21 LEU 25 HD21 LEU 25 -14.174 4.162 -1.172 195 HD22 LEU 25 HD22 LEU 25 -14.981 3.374 -2.522 196 HD23 LEU 25 HD23 LEU 25 -13.285 3.030 -2.187 197 H LEU 26 H LEU 26 -14.317 -2.665 -1.629 198 HA LEU 26 HA LEU 26 -16.032 -2.964 -3.994 199 HB2 LEU 26 HB2 LEU 26 -13.676 -2.908 -4.434 200 HB3 LEU 26 HB3 LEU 26 -13.395 -4.167 -3.249 201 HG LEU 26 HG LEU 26 -14.868 -5.604 -4.747 202 HD11 LEU 26 HD11 LEU 26 -15.703 -3.897 -6.209 203 HD12 LEU 26 HD12 LEU 26 -14.789 -5.080 -7.133 204 HD13 LEU 26 HD13 LEU 26 -14.072 -3.514 -6.757 205 HD21 LEU 26 HD21 LEU 26 -12.547 -6.103 -4.406 206 HD22 LEU 26 HD22 LEU 26 -12.058 -4.830 -5.524 207 HD23 LEU 26 HD23 LEU 26 -12.886 -6.259 -6.129 208 H ALA 27 H ALA 27 -15.419 -4.369 -1.025 209 HA ALA 27 HA ALA 27 -16.524 -6.918 -1.911 210 HB1 ALA 27 HB1 ALA 27 -14.301 -7.038 -0.914 211 HB2 ALA 27 HB2 ALA 27 -15.476 -7.953 0.039 212 HB3 ALA 27 HB3 ALA 27 -14.937 -6.363 0.581
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