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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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642408 |
6r95 ![]() ![]() |
34387 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 0.326 0.868 -0.062 2 HA PHE 1 HA PHE 1 2.990 0.817 -0.732 3 HB2 PHE 1 HB1 PHE 1 1.275 -1.271 -2.232 4 HB3 PHE 1 HB2 PHE 1 2.897 -0.719 -2.806 5 HD1 PHE 1 HD1 PHE 1 4.922 -1.118 -1.393 6 HD2 PHE 1 HD2 PHE 1 1.116 -2.876 -0.467 7 HE1 PHE 1 HE1 PHE 1 6.046 -2.790 0.049 8 HE2 PHE 1 HE2 PHE 1 2.236 -4.553 0.969 9 HZ PHE 1 HZ PHE 1 4.704 -4.511 1.233 10 H LEU 2 HN LEU 2 3.018 1.356 -3.349 11 HA LEU 2 HA LEU 2 2.709 3.094 -4.703 12 HB2 LEU 2 HB1 LEU 2 -0.133 2.035 -4.525 13 HB3 LEU 2 HB2 LEU 2 0.397 3.253 -5.717 14 HG LEU 2 HG LEU 2 2.148 1.627 -6.571 15 HD11 LEU 2 HD11 LEU 2 1.565 -0.838 -6.290 16 HD12 LEU 2 HD12 LEU 2 0.499 -0.390 -4.912 17 HD13 LEU 2 HD13 LEU 2 2.286 -0.105 -4.819 18 HD21 LEU 2 HD21 LEU 2 0.467 0.412 -7.968 19 HD22 LEU 2 HD22 LEU 2 0.048 2.151 -7.772 20 HD23 LEU 2 HD23 LEU 2 -0.833 0.897 -6.821 21 HA PRO 3 HA PRO 3 0.915 5.602 -1.225 22 HB2 PRO 3 HB1 PRO 3 3.033 7.304 -0.478 23 HB3 PRO 3 HB2 PRO 3 2.896 5.584 0.042 24 HG2 PRO 3 HG1 PRO 3 4.467 6.661 -2.370 25 HG3 PRO 3 HG2 PRO 3 5.070 5.585 -1.040 26 HD2 PRO 3 HD1 PRO 3 4.206 4.496 -3.411 27 HD3 PRO 3 HD2 PRO 3 3.727 3.729 -1.824 28 H ILE 4 HN ILE 4 2.565 7.019 -3.963 29 HA ILE 4 HA ILE 4 1.695 9.599 -4.045 30 HB ILE 4 HB ILE 4 1.854 7.702 -6.419 31 HG12 ILE 4 HG11 ILE 4 3.980 9.486 -5.073 32 HG13 ILE 4 HG12 ILE 4 3.947 7.694 -5.025 33 HG21 ILE 4 HG21 ILE 4 0.653 9.879 -6.926 34 HG22 ILE 4 HG22 ILE 4 2.022 10.794 -6.190 35 HG23 ILE 4 HG23 ILE 4 2.259 9.843 -7.699 36 HD11 ILE 4 HD1 ILE 4 4.386 9.439 -7.530 37 HD12 ILE 4 HD2 ILE 4 5.579 8.382 -6.707 38 HD13 ILE 4 HD3 ILE 4 4.169 7.652 -7.564 39 H LEU 5 HN LEU 5 -0.198 6.889 -5.526 40 HA LEU 5 HA LEU 5 -2.289 8.654 -6.189 41 HB2 LEU 5 HB1 LEU 5 -3.487 6.681 -7.036 42 HB3 LEU 5 HB2 LEU 5 -1.819 6.850 -7.632 43 HG LEU 5 HG LEU 5 -1.089 5.085 -5.924 44 HD11 LEU 5 HD11 LEU 5 -2.878 3.436 -5.235 45 HD12 LEU 5 HD12 LEU 5 -4.138 4.631 -5.712 46 HD13 LEU 5 HD13 LEU 5 -3.004 4.987 -4.348 47 HD21 LEU 5 HD21 LEU 5 -1.349 4.646 -8.354 48 HD22 LEU 5 HD22 LEU 5 -3.113 4.345 -8.128 49 HD23 LEU 5 HD23 LEU 5 -1.913 3.226 -7.392 50 H ALA 6 HN ALA 6 -1.703 7.057 -3.162 51 HA ALA 6 HA ALA 6 -4.363 7.000 -2.221 52 HB1 ALA 6 HB1 ALA 6 -3.310 7.005 0.041 53 HB2 ALA 6 HB2 ALA 6 -2.432 5.889 -1.065 54 HB3 ALA 6 HB3 ALA 6 -1.738 7.506 -0.688 55 H SER 7 HN SER 7 -1.951 9.622 -2.361 56 HA SER 7 HA SER 7 -3.520 11.590 -1.031 57 HB2 SER 7 HB1 SER 7 -1.266 11.923 -3.100 58 HB3 SER 7 HB2 SER 7 -2.032 13.279 -2.201 59 HG SER 7 HG1 SER 7 -0.480 11.153 -1.166 60 H LEU 8 HN LEU 8 -3.253 10.653 -4.460 61 HA LEU 8 HA LEU 8 -4.979 12.644 -5.486 62 HB2 LEU 8 HB1 LEU 8 -3.262 11.210 -6.750 63 HB3 LEU 8 HB2 LEU 8 -4.383 9.830 -6.574 64 HG LEU 8 HG LEU 8 -6.131 11.236 -7.851 65 HD11 LEU 8 HD11 LEU 8 -5.252 13.096 -9.270 66 HD12 LEU 8 HD12 LEU 8 -3.649 12.978 -8.464 67 HD13 LEU 8 HD13 LEU 8 -5.097 13.512 -7.527 68 HD21 LEU 8 HD21 LEU 8 -3.494 10.541 -9.294 69 HD22 LEU 8 HD22 LEU 8 -5.109 10.739 -10.063 70 HD23 LEU 8 HD23 LEU 8 -4.829 9.388 -8.906 71 H ALA 9 HN ALA 9 -5.596 9.227 -4.511 72 HA ALA 9 HA ALA 9 -8.302 9.116 -5.042 73 HB1 ALA 9 HB1 ALA 9 -6.652 7.685 -2.868 74 HB2 ALA 9 HB2 ALA 9 -8.260 7.141 -3.490 75 HB3 ALA 9 HB3 ALA 9 -6.821 7.147 -4.575 76 H ALA 10 HN ALA 10 -6.642 10.348 -2.127 77 HA ALA 10 HA ALA 10 -8.985 10.783 -0.629 78 HB1 ALA 10 HB1 ALA 10 -6.674 10.660 0.315 79 HB2 ALA 10 HB2 ALA 10 -6.251 12.189 -0.529 80 HB3 ALA 10 HB3 ALA 10 -7.497 12.189 0.793 81 H LYS 11 HN LYS 11 -8.027 12.450 -3.483 82 HA LYS 11 HA LYS 11 -9.756 14.765 -2.753 83 HB2 LYS 11 HB1 LYS 11 -7.312 14.469 -4.545 84 HB3 LYS 11 HB2 LYS 11 -8.569 15.648 -5.016 85 HG2 LYS 11 HG1 LYS 11 -6.782 16.768 -3.789 86 HG3 LYS 11 HG2 LYS 11 -8.363 16.899 -2.955 87 HD2 LYS 11 HD1 LYS 11 -7.722 15.101 -1.382 88 HD3 LYS 11 HD2 LYS 11 -6.143 14.893 -2.215 89 HE2 LYS 11 HE1 LYS 11 -5.450 17.184 -1.446 90 HE3 LYS 11 HE2 LYS 11 -7.102 17.457 -0.749 91 HZ1 LYS 11 HZ1 LYS 11 -6.757 15.546 0.671 92 HZ2 LYS 11 HZ2 LYS 11 -5.553 16.715 0.941 93 HZ3 LYS 11 HZ3 LYS 11 -5.203 15.309 0.049 94 H PHE 12 HN PHE 12 -9.019 12.386 -5.385 95 HA PHE 12 HA PHE 12 -11.449 13.258 -6.757 96 HB2 PHE 12 HB1 PHE 12 -9.098 11.409 -7.488 97 HB3 PHE 12 HB2 PHE 12 -10.557 11.587 -8.536 98 HD1 PHE 12 HD1 PHE 12 -7.555 13.329 -7.228 99 HD2 PHE 12 HD2 PHE 12 -11.082 13.654 -9.655 100 HE1 PHE 12 HE1 PHE 12 -6.667 15.412 -8.241 101 HE2 PHE 12 HE2 PHE 12 -10.194 15.728 -10.671 102 HZ PHE 12 HZ PHE 12 -7.987 16.610 -9.966 103 H GLY 13 HN GLY 13 -10.832 11.001 -4.342 104 HA2 GLY 13 HA1 GLY 13 -13.149 9.362 -5.207 105 HA3 GLY 13 HA2 GLY 13 -11.782 8.828 -4.182 106 HA PRO 14 HA PRO 14 -14.081 11.338 -0.972 107 HB2 PRO 14 HB1 PRO 14 -16.251 12.998 -1.551 108 HB3 PRO 14 HB2 PRO 14 -14.540 13.546 -1.725 109 HG2 PRO 14 HG1 PRO 14 -16.343 12.418 -3.943 110 HG3 PRO 14 HG2 PRO 14 -15.387 13.958 -3.955 111 HD2 PRO 14 HD1 PRO 14 -14.373 11.655 -5.073 112 HD3 PRO 14 HD2 PRO 14 -13.305 12.781 -4.130 113 H LYS 15 HN LYS 15 -15.872 9.966 -3.563 114 HA LYS 15 HA LYS 15 -18.107 8.837 -2.337 115 HB2 LYS 15 HB1 LYS 15 -17.619 8.939 -4.788 116 HB3 LYS 15 HB2 LYS 15 -16.194 7.887 -4.562 117 HG2 LYS 15 HG1 LYS 15 -17.722 5.978 -3.924 118 HG3 LYS 15 HG2 LYS 15 -19.138 7.045 -4.205 119 HD2 LYS 15 HD1 LYS 15 -18.402 7.388 -6.580 120 HD3 LYS 15 HD2 LYS 15 -16.954 6.372 -6.283 121 HE2 LYS 15 HE1 LYS 15 -18.437 4.366 -5.874 122 HE3 LYS 15 HE2 LYS 15 -19.893 5.388 -6.204 123 HZ1 LYS 15 HZ1 LYS 15 -19.011 5.812 -8.425 124 HZ2 LYS 15 HZ2 LYS 15 -19.198 4.151 -8.158 125 HZ3 LYS 15 HZ3 LYS 15 -17.658 4.849 -8.113 126 H LEU 16 HN LEU 16 -14.713 7.575 -2.499 127 HA LEU 16 HA LEU 16 -15.374 5.247 -0.909 128 HB2 LEU 16 HB1 LEU 16 -12.689 6.492 -1.746 129 HB3 LEU 16 HB2 LEU 16 -12.868 4.929 -0.889 130 HG LEU 16 HG LEU 16 -13.973 5.537 -3.694 131 HD11 LEU 16 HD11 LEU 16 -12.122 4.061 -4.492 132 HD12 LEU 16 HD12 LEU 16 -11.509 3.909 -2.806 133 HD13 LEU 16 HD13 LEU 16 -11.477 5.510 -3.632 134 HD21 LEU 16 HD21 LEU 16 -13.811 2.905 -2.084 135 HD22 LEU 16 HD22 LEU 16 -14.278 3.033 -3.816 136 HD23 LEU 16 HD23 LEU 16 -15.323 3.772 -2.547 137 H PHE 17 HN PHE 17 -13.834 8.429 -0.412 138 HA PHE 17 HA PHE 17 -12.867 7.950 2.118 139 HB2 PHE 17 HB1 PHE 17 -12.566 9.939 0.313 140 HB3 PHE 17 HB2 PHE 17 -13.755 10.781 1.365 141 HD1 PHE 17 HD1 PHE 17 -13.156 11.012 3.864 142 HD2 PHE 17 HD2 PHE 17 -10.339 9.616 0.938 143 HE1 PHE 17 HE1 PHE 17 -11.297 11.508 5.419 144 HE2 PHE 17 HE2 PHE 17 -8.475 10.110 2.493 145 HZ PHE 17 HZ PHE 17 -8.953 11.061 4.737 146 HN2 ABA 18 HN AGL 18 -16.077 9.402 1.282 147 HA ABA 18 HA AGL 18 -16.935 9.737 3.942 148 HB3 ABA 18 HB2 AGL 18 -18.401 9.314 1.288 149 HB2 ABA 18 HB1 AGL 18 -18.077 10.856 2.100 150 HG3 ABA 18 HG AGL 18 -20.268 8.789 2.696 151 H LEU 19 HN LEU 19 -17.229 6.845 1.783 152 HA LEU 19 HA LEU 19 -18.771 5.392 3.659 153 HB2 LEU 19 HB1 LEU 19 -17.065 4.467 1.293 154 HB3 LEU 19 HB2 LEU 19 -18.183 3.402 2.208 155 HG LEU 19 HG LEU 19 -19.026 5.918 0.653 156 HD11 LEU 19 HD11 LEU 19 -19.995 4.323 -0.992 157 HD12 LEU 19 HD12 LEU 19 -19.317 2.932 -0.060 158 HD13 LEU 19 HD13 LEU 19 -18.208 4.120 -0.851 159 HD21 LEU 19 HD21 LEU 19 -21.357 5.018 0.946 160 HD22 LEU 19 HD22 LEU 19 -20.608 5.456 2.519 161 HD23 LEU 19 HD23 LEU 19 -20.714 3.725 2.025 162 H VAL 20 HN VAL 20 -15.179 5.343 3.101 163 HA VAL 20 HA VAL 20 -14.857 3.297 5.042 164 HB VAL 20 HB VAL 20 -13.269 3.706 3.235 165 HG11 VAL 20 HG11 VAL 20 -11.544 5.443 3.410 166 HG12 VAL 20 HG12 VAL 20 -13.163 6.232 3.393 167 HG13 VAL 20 HG13 VAL 20 -12.241 6.078 4.937 168 HG21 VAL 20 HG21 VAL 20 -12.724 2.301 5.241 169 HG22 VAL 20 HG22 VAL 20 -11.271 3.146 4.598 170 HG23 VAL 20 HG23 VAL 20 -12.070 3.754 6.089 171 H THR 21 HN THR 21 -14.529 6.902 5.400 172 HA THR 21 HA THR 21 -13.894 6.640 8.158 173 HB THR 21 HB THR 21 -15.000 9.155 6.873 174 HG1 THR 21 HG1 THR 21 -12.304 8.313 7.066 175 HG21 THR 21 HG21 THR 21 -14.706 9.144 9.427 176 HG22 THR 21 HG22 THR 21 -13.513 10.222 8.615 177 HG23 THR 21 HG23 THR 21 -13.008 8.601 9.207 178 H LYS 22 HN LYS 22 -16.922 6.729 6.409 179 HA LYS 22 HA LYS 22 -19.018 6.599 6.896 180 HB2 LYS 22 HB1 LYS 22 -18.242 5.680 9.692 181 HB3 LYS 22 HB2 LYS 22 -19.798 5.369 8.881 182 HG2 LYS 22 HG1 LYS 22 -18.898 3.801 7.354 183 HG3 LYS 22 HG2 LYS 22 -17.224 4.329 7.567 184 HD2 LYS 22 HD1 LYS 22 -18.899 2.743 9.598 185 HD3 LYS 22 HD2 LYS 22 -17.542 2.160 8.595 186 HE2 LYS 22 HE1 LYS 22 -17.448 3.991 11.062 187 HE3 LYS 22 HE2 LYS 22 -16.587 2.435 10.761 188 HZ1 LYS 22 HZ1 LYS 22 -15.463 3.803 8.862 189 HZ2 LYS 22 HZ2 LYS 22 -14.981 4.071 10.468 190 HZ3 LYS 22 HZ3 LYS 22 -16.042 5.134 9.692 191 H LYS 23 HN LYS 23 -17.559 9.209 7.865 192 HA LYS 23 HA LYS 23 -19.765 10.086 9.658 193 HB2 LYS 23 HB1 LYS 23 -18.388 11.578 10.754 194 HB3 LYS 23 HB2 LYS 23 -17.444 10.085 10.651 195 HG2 LYS 23 HG1 LYS 23 -15.842 10.969 9.260 196 HG3 LYS 23 HG2 LYS 23 -16.910 12.107 8.412 197 HD2 LYS 23 HD1 LYS 23 -16.180 12.543 11.370 198 HD3 LYS 23 HD2 LYS 23 -15.076 13.001 10.050 199 HE2 LYS 23 HE1 LYS 23 -16.358 14.977 10.753 200 HE3 LYS 23 HE2 LYS 23 -16.733 14.538 9.042 201 HZ1 LYS 23 HZ1 LYS 23 -18.765 13.546 9.752 202 HZ2 LYS 23 HZ2 LYS 23 -18.705 15.121 10.355 203 HZ3 LYS 23 HZ3 LYS 23 -18.423 13.805 11.388 204 HN2 ABA 24 HN AGL 24 -19.569 10.204 6.505 205 HA ABA 24 HA AGL 24 -19.608 13.079 6.111 206 HB3 ABA 24 HB2 AGL 24 -18.532 11.750 4.385 207 HB2 ABA 24 HB1 AGL 24 -19.933 12.652 3.744 208 HG3 ABA 24 HG AGL 24 -21.246 10.270 4.255 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 -0.473 -1.020 -3.688 2 HA PHE 1 HA PHE 1 -1.157 1.202 -2.624 3 HB2 PHE 1 HB1 PHE 1 0.623 -0.810 -1.099 4 HB3 PHE 1 HB2 PHE 1 -0.434 0.423 -0.310 5 HD1 PHE 1 HD1 PHE 1 -2.943 0.462 -1.184 6 HD2 PHE 1 HD2 PHE 1 -0.327 -2.938 -1.428 7 HE1 PHE 1 HE1 PHE 1 -4.905 -1.032 -1.388 8 HE2 PHE 1 HE2 PHE 1 -2.293 -4.433 -1.621 9 HZ PHE 1 HZ PHE 1 -4.583 -3.480 -1.610 10 H LEU 2 HN LEU 2 0.971 1.809 -4.400 11 HA LEU 2 HA LEU 2 3.118 3.013 -3.103 12 HB2 LEU 2 HB1 LEU 2 1.772 3.674 -5.773 13 HB3 LEU 2 HB2 LEU 2 3.245 4.506 -5.195 14 HG LEU 2 HG LEU 2 4.414 2.253 -5.068 15 HD11 LEU 2 HD11 LEU 2 3.550 0.453 -6.628 16 HD12 LEU 2 HD12 LEU 2 1.976 1.313 -6.716 17 HD13 LEU 2 HD13 LEU 2 2.554 0.621 -5.151 18 HD21 LEU 2 HD21 LEU 2 4.784 3.931 -6.888 19 HD22 LEU 2 HD22 LEU 2 3.412 3.220 -7.820 20 HD23 LEU 2 HD23 LEU 2 4.890 2.243 -7.517 21 HA PRO 3 HA PRO 3 0.918 6.037 -0.997 22 HB2 PRO 3 HB1 PRO 3 2.866 7.925 -0.191 23 HB3 PRO 3 HB2 PRO 3 2.754 6.240 0.436 24 HG2 PRO 3 HG1 PRO 3 4.519 7.236 -1.869 25 HG3 PRO 3 HG2 PRO 3 5.013 6.255 -0.425 26 HD2 PRO 3 HD1 PRO 3 4.454 5.004 -2.799 27 HD3 PRO 3 HD2 PRO 3 3.803 4.305 -1.245 28 H ILE 4 HN ILE 4 2.674 7.330 -3.692 29 HA ILE 4 HA ILE 4 1.628 9.801 -4.160 30 HB ILE 4 HB ILE 4 2.040 7.651 -6.272 31 HG12 ILE 4 HG11 ILE 4 4.031 9.627 -4.997 32 HG13 ILE 4 HG12 ILE 4 4.044 7.847 -4.777 33 HG21 ILE 4 HG21 ILE 4 0.799 9.727 -7.060 34 HG22 ILE 4 HG22 ILE 4 2.115 10.752 -6.368 35 HG23 ILE 4 HG23 ILE 4 2.447 9.656 -7.747 36 HD11 ILE 4 HD1 ILE 4 4.578 9.352 -7.413 37 HD12 ILE 4 HD2 ILE 4 5.750 8.423 -6.424 38 HD13 ILE 4 HD3 ILE 4 4.411 7.567 -7.279 39 H LEU 5 HN LEU 5 0.065 6.791 -5.436 40 HA LEU 5 HA LEU 5 -2.183 8.178 -6.338 41 HB2 LEU 5 HB1 LEU 5 -3.144 6.058 -6.926 42 HB3 LEU 5 HB2 LEU 5 -1.412 6.096 -7.320 43 HG LEU 5 HG LEU 5 -1.223 4.911 -4.875 44 HD11 LEU 5 HD11 LEU 5 -3.711 4.881 -4.443 45 HD12 LEU 5 HD12 LEU 5 -3.034 3.218 -4.608 46 HD13 LEU 5 HD13 LEU 5 -3.946 3.955 -5.974 47 HD21 LEU 5 HD21 LEU 5 -0.297 4.056 -7.030 48 HD22 LEU 5 HD22 LEU 5 -1.939 3.467 -7.500 49 HD23 LEU 5 HD23 LEU 5 -1.095 2.742 -6.085 50 H ALA 6 HN ALA 6 -1.650 6.620 -3.150 51 HA ALA 6 HA ALA 6 -4.275 6.860 -2.214 52 HB1 ALA 6 HB1 ALA 6 -2.425 5.597 -1.065 53 HB2 ALA 6 HB2 ALA 6 -1.606 7.153 -0.691 54 HB3 ALA 6 HB3 ALA 6 -3.209 6.779 0.055 55 H SER 7 HN SER 7 -1.641 9.266 -2.234 56 HA SER 7 HA SER 7 -3.009 11.329 -0.898 57 HB2 SER 7 HB1 SER 7 -0.761 11.533 -2.990 58 HB3 SER 7 HB2 SER 7 -1.353 12.896 -1.979 59 HG SER 7 HG1 SER 7 -0.079 10.506 -1.124 60 H LEU 8 HN LEU 8 -2.931 10.494 -4.370 61 HA LEU 8 HA LEU 8 -4.570 12.636 -5.261 62 HB2 LEU 8 HB1 LEU 8 -2.970 11.220 -6.643 63 HB3 LEU 8 HB2 LEU 8 -4.061 9.827 -6.415 64 HG LEU 8 HG LEU 8 -5.893 11.181 -7.603 65 HD11 LEU 8 HD11 LEU 8 -5.132 13.057 -9.069 66 HD12 LEU 8 HD12 LEU 8 -3.499 13.009 -8.314 67 HD13 LEU 8 HD13 LEU 8 -4.944 13.489 -7.332 68 HD21 LEU 8 HD21 LEU 8 -3.312 10.566 -9.175 69 HD22 LEU 8 HD22 LEU 8 -4.970 10.719 -9.860 70 HD23 LEU 8 HD23 LEU 8 -4.594 9.375 -8.721 71 H ALA 9 HN ALA 9 -5.292 9.222 -4.384 72 HA ALA 9 HA ALA 9 -7.932 9.122 -5.087 73 HB1 ALA 9 HB1 ALA 9 -6.460 7.616 -2.839 74 HB2 ALA 9 HB2 ALA 9 -8.010 7.095 -3.607 75 HB3 ALA 9 HB3 ALA 9 -6.493 7.142 -4.576 76 H ALA 10 HN ALA 10 -6.566 10.358 -2.053 77 HA ALA 10 HA ALA 10 -9.003 10.581 -0.665 78 HB1 ALA 10 HB1 ALA 10 -6.745 10.733 0.380 79 HB2 ALA 10 HB2 ALA 10 -6.435 12.273 -0.500 80 HB3 ALA 10 HB3 ALA 10 -7.728 12.190 0.770 81 H LYS 11 HN LYS 11 -8.006 12.434 -3.455 82 HA LYS 11 HA LYS 11 -9.980 14.567 -2.781 83 HB2 LYS 11 HB1 LYS 11 -7.716 14.480 -4.870 84 HB3 LYS 11 HB2 LYS 11 -8.976 15.745 -4.806 85 HG2 LYS 11 HG1 LYS 11 -6.977 16.629 -3.857 86 HG3 LYS 11 HG2 LYS 11 -8.213 16.490 -2.565 87 HD2 LYS 11 HD1 LYS 11 -7.117 14.566 -1.597 88 HD3 LYS 11 HD2 LYS 11 -6.114 14.317 -3.065 89 HE2 LYS 11 HE1 LYS 11 -4.804 16.387 -2.547 90 HE3 LYS 11 HE2 LYS 11 -5.798 16.655 -1.052 91 HZ1 LYS 11 HZ1 LYS 11 -5.037 14.619 -0.167 92 HZ2 LYS 11 HZ2 LYS 11 -3.643 15.397 -0.757 93 HZ3 LYS 11 HZ3 LYS 11 -4.365 14.126 -1.628 94 H PHE 12 HN PHE 12 -9.004 12.163 -5.297 95 HA PHE 12 HA PHE 12 -11.386 12.869 -6.847 96 HB2 PHE 12 HB1 PHE 12 -8.931 11.073 -7.343 97 HB3 PHE 12 HB2 PHE 12 -10.347 11.104 -8.463 98 HD1 PHE 12 HD1 PHE 12 -7.510 13.106 -7.144 99 HD2 PHE 12 HD2 PHE 12 -10.918 13.041 -9.755 100 HE1 PHE 12 HE1 PHE 12 -6.697 15.167 -8.263 101 HE2 PHE 12 HE2 PHE 12 -10.101 15.089 -10.877 102 HZ PHE 12 HZ PHE 12 -7.993 16.155 -10.132 103 H GLY 13 HN GLY 13 -10.818 10.753 -4.291 104 HA2 GLY 13 HA1 GLY 13 -13.106 9.063 -5.148 105 HA3 GLY 13 HA2 GLY 13 -11.735 8.551 -4.109 106 HA PRO 14 HA PRO 14 -14.068 11.190 -1.012 107 HB2 PRO 14 HB1 PRO 14 -16.292 12.744 -1.677 108 HB3 PRO 14 HB2 PRO 14 -14.600 13.332 -1.890 109 HG2 PRO 14 HG1 PRO 14 -16.372 12.022 -4.031 110 HG3 PRO 14 HG2 PRO 14 -15.464 13.586 -4.136 111 HD2 PRO 14 HD1 PRO 14 -14.376 11.257 -5.125 112 HD3 PRO 14 HD2 PRO 14 -13.346 12.467 -4.243 113 H LYS 15 HN LYS 15 -15.842 9.623 -3.511 114 HA LYS 15 HA LYS 15 -18.031 8.503 -2.193 115 HB2 LYS 15 HB1 LYS 15 -17.570 8.486 -4.652 116 HB3 LYS 15 HB2 LYS 15 -16.123 7.475 -4.388 117 HG2 LYS 15 HG1 LYS 15 -17.602 5.573 -3.638 118 HG3 LYS 15 HG2 LYS 15 -19.042 6.597 -3.942 119 HD2 LYS 15 HD1 LYS 15 -18.355 6.845 -6.343 120 HD3 LYS 15 HD2 LYS 15 -16.889 5.862 -6.029 121 HE2 LYS 15 HE1 LYS 15 -18.334 3.858 -5.502 122 HE3 LYS 15 HE2 LYS 15 -19.812 4.846 -5.841 123 HZ1 LYS 15 HZ1 LYS 15 -17.615 4.254 -7.779 124 HZ2 LYS 15 HZ2 LYS 15 -18.992 5.182 -8.099 125 HZ3 LYS 15 HZ3 LYS 15 -19.145 3.532 -7.754 126 H LEU 16 HN LEU 16 -14.610 7.318 -2.341 127 HA LEU 16 HA LEU 16 -15.170 5.058 -0.626 128 HB2 LEU 16 HB1 LEU 16 -12.536 6.359 -1.538 129 HB3 LEU 16 HB2 LEU 16 -12.658 4.821 -0.630 130 HG LEU 16 HG LEU 16 -13.804 5.307 -3.444 131 HD11 LEU 16 HD11 LEU 16 -11.914 3.872 -4.217 132 HD12 LEU 16 HD12 LEU 16 -11.281 3.785 -2.533 133 HD13 LEU 16 HD13 LEU 16 -11.309 5.363 -3.403 134 HD21 LEU 16 HD21 LEU 16 -15.086 3.534 -2.234 135 HD22 LEU 16 HD22 LEU 16 -13.542 2.726 -1.766 136 HD23 LEU 16 HD23 LEU 16 -14.031 2.795 -3.495 137 H PHE 17 HN PHE 17 -13.728 8.308 -0.302 138 HA PHE 17 HA PHE 17 -12.739 8.008 2.248 139 HB2 PHE 17 HB1 PHE 17 -12.463 9.889 0.353 140 HB3 PHE 17 HB2 PHE 17 -13.730 10.750 1.295 141 HD1 PHE 17 HD1 PHE 17 -13.217 11.414 3.665 142 HD2 PHE 17 HD2 PHE 17 -10.282 9.470 1.203 143 HE1 PHE 17 HE1 PHE 17 -11.440 12.064 5.266 144 HE2 PHE 17 HE2 PHE 17 -8.504 10.126 2.801 145 HZ PHE 17 HZ PHE 17 -9.086 11.424 4.835 146 HN2 ABA 18 HN AGL 18 -15.993 9.223 1.309 147 HA ABA 18 HA AGL 18 -16.938 9.727 3.903 148 HB3 ABA 18 HB2 AGL 18 -18.336 8.897 1.294 149 HB2 ABA 18 HB1 AGL 18 -18.013 10.553 1.827 150 HG3 ABA 18 HG AGL 18 -20.247 8.676 2.737 151 H LEU 19 HN LEU 19 -17.068 6.652 1.980 152 HA LEU 19 HA LEU 19 -18.562 5.277 3.958 153 HB2 LEU 19 HB1 LEU 19 -16.796 4.260 1.668 154 HB3 LEU 19 HB2 LEU 19 -17.888 3.218 2.641 155 HG LEU 19 HG LEU 19 -18.809 5.595 0.922 156 HD11 LEU 19 HD11 LEU 19 -19.669 3.865 -0.648 157 HD12 LEU 19 HD12 LEU 19 -18.938 2.565 0.370 158 HD13 LEU 19 HD13 LEU 19 -17.877 3.763 -0.469 159 HD21 LEU 19 HD21 LEU 19 -21.098 4.602 1.230 160 HD22 LEU 19 HD22 LEU 19 -20.398 5.153 2.791 161 HD23 LEU 19 HD23 LEU 19 -20.415 3.396 2.380 162 H VAL 20 HN VAL 20 -14.997 5.331 3.342 163 HA VAL 20 HA VAL 20 -14.482 3.425 5.345 164 HB VAL 20 HB VAL 20 -12.974 3.961 3.464 165 HG11 VAL 20 HG11 VAL 20 -12.071 6.343 5.224 166 HG12 VAL 20 HG12 VAL 20 -11.347 5.798 3.675 167 HG13 VAL 20 HG13 VAL 20 -13.016 6.478 3.692 168 HG21 VAL 20 HG21 VAL 20 -10.918 3.492 4.774 169 HG22 VAL 20 HG22 VAL 20 -11.721 4.013 6.292 170 HG23 VAL 20 HG23 VAL 20 -12.300 2.539 5.421 171 H THR 21 HN THR 21 -14.748 6.955 5.563 172 HA THR 21 HA THR 21 -13.872 6.931 8.345 173 HB THR 21 HB THR 21 -14.953 9.402 6.948 174 HG1 THR 21 HG1 THR 21 -13.503 8.749 5.484 175 HG21 THR 21 HG21 THR 21 -12.613 8.837 8.911 176 HG22 THR 21 HG22 THR 21 -14.218 9.473 9.419 177 HG23 THR 21 HG23 THR 21 -13.148 10.454 8.347 178 H LYS 22 HN LYS 22 -16.850 6.630 6.687 179 HA LYS 22 HA LYS 22 -18.939 6.548 7.191 180 HB2 LYS 22 HB1 LYS 22 -18.199 6.137 10.121 181 HB3 LYS 22 HB2 LYS 22 -19.740 5.723 9.324 182 HG2 LYS 22 HG1 LYS 22 -18.855 3.648 9.333 183 HG3 LYS 22 HG2 LYS 22 -18.187 4.191 7.761 184 HD2 LYS 22 HD1 LYS 22 -16.076 4.885 8.997 185 HD3 LYS 22 HD2 LYS 22 -16.769 4.247 10.519 186 HE2 LYS 22 HE1 LYS 22 -16.685 1.930 9.666 187 HE3 LYS 22 HE2 LYS 22 -16.313 2.518 7.990 188 HZ1 LYS 22 HZ1 LYS 22 -14.577 2.996 10.363 189 HZ2 LYS 22 HZ2 LYS 22 -14.299 3.432 8.753 190 HZ3 LYS 22 HZ3 LYS 22 -14.316 1.790 9.184 191 H LYS 23 HN LYS 23 -17.675 9.359 7.617 192 HA LYS 23 HA LYS 23 -19.939 10.421 9.239 193 HB2 LYS 23 HB1 LYS 23 -18.540 11.851 10.444 194 HB3 LYS 23 HB2 LYS 23 -17.773 10.255 10.503 195 HG2 LYS 23 HG1 LYS 23 -15.940 10.859 9.300 196 HG3 LYS 23 HG2 LYS 23 -16.750 12.057 8.261 197 HD2 LYS 23 HD1 LYS 23 -16.306 12.595 11.263 198 HD3 LYS 23 HD2 LYS 23 -15.022 12.847 10.058 199 HE2 LYS 23 HE1 LYS 23 -16.121 14.993 10.514 200 HE3 LYS 23 HE2 LYS 23 -16.377 14.498 8.796 201 HZ1 LYS 23 HZ1 LYS 23 -18.365 14.106 10.985 202 HZ2 LYS 23 HZ2 LYS 23 -18.573 13.797 9.335 203 HZ3 LYS 23 HZ3 LYS 23 -18.383 15.384 9.867 204 HN2 ABA 24 HN AGL 24 -19.450 10.428 6.171 205 HA ABA 24 HA AGL 24 -19.141 13.233 5.611 206 HB3 ABA 24 HB2 AGL 24 -18.331 11.729 3.950 207 HB2 ABA 24 HB1 AGL 24 -19.700 12.633 3.262 208 HG3 ABA 24 HG AGL 24 -21.136 10.409 4.072 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 4.655 -1.092 -3.392 2 HA PHE 1 HA PHE 1 2.277 -0.687 -1.829 3 HB2 PHE 1 HB1 PHE 1 4.998 0.573 -1.048 4 HB3 PHE 1 HB2 PHE 1 3.409 1.082 -0.358 5 HD1 PHE 1 HD1 PHE 1 2.144 -0.437 1.115 6 HD2 PHE 1 HD2 PHE 1 6.049 -1.477 -0.339 7 HE1 PHE 1 HE1 PHE 1 2.343 -2.162 2.881 8 HE2 PHE 1 HE2 PHE 1 6.250 -3.202 1.430 9 HZ PHE 1 HZ PHE 1 4.396 -3.544 3.042 10 H LEU 2 HN LEU 2 1.149 1.151 -2.616 11 HA LEU 2 HA LEU 2 2.574 2.714 -4.701 12 HB2 LEU 2 HB1 LEU 2 -0.394 1.963 -4.553 13 HB3 LEU 2 HB2 LEU 2 0.393 3.002 -5.775 14 HG LEU 2 HG LEU 2 1.927 0.864 -6.206 15 HD11 LEU 2 HD11 LEU 2 -0.660 -0.413 -5.086 16 HD12 LEU 2 HD12 LEU 2 1.001 -0.638 -4.416 17 HD13 LEU 2 HD13 LEU 2 0.594 -1.273 -6.047 18 HD21 LEU 2 HD21 LEU 2 -0.992 1.034 -7.181 19 HD22 LEU 2 HD22 LEU 2 0.353 0.162 -7.995 20 HD23 LEU 2 HD23 LEU 2 0.401 1.958 -7.865 21 HA PRO 3 HA PRO 3 1.097 5.356 -1.328 22 HB2 PRO 3 HB1 PRO 3 3.263 7.037 -0.912 23 HB3 PRO 3 HB2 PRO 3 3.278 5.297 -0.446 24 HG2 PRO 3 HG1 PRO 3 4.409 6.527 -3.023 25 HG3 PRO 3 HG2 PRO 3 5.231 5.398 -1.868 26 HD2 PRO 3 HD1 PRO 3 3.987 4.437 -4.147 27 HD3 PRO 3 HD2 PRO 3 3.889 3.545 -2.566 28 H ILE 4 HN ILE 4 2.581 6.832 -4.184 29 HA ILE 4 HA ILE 4 1.737 9.385 -4.161 30 HB ILE 4 HB ILE 4 1.697 7.613 -6.639 31 HG12 ILE 4 HG11 ILE 4 3.832 7.212 -5.544 32 HG13 ILE 4 HG12 ILE 4 4.052 8.274 -6.958 33 HG21 ILE 4 HG21 ILE 4 2.348 9.786 -7.774 34 HG22 ILE 4 HG22 ILE 4 0.710 9.861 -7.046 35 HG23 ILE 4 HG23 ILE 4 2.098 10.655 -6.218 36 HD11 ILE 4 HD1 ILE 4 4.043 9.219 -4.005 37 HD12 ILE 4 HD2 ILE 4 5.473 9.059 -5.083 38 HD13 ILE 4 HD3 ILE 4 4.216 10.290 -5.442 39 H LEU 5 HN LEU 5 -0.217 6.844 -5.759 40 HA LEU 5 HA LEU 5 -2.349 8.548 -6.274 41 HB2 LEU 5 HB1 LEU 5 -3.564 6.478 -6.959 42 HB3 LEU 5 HB2 LEU 5 -1.964 6.725 -7.696 43 HG LEU 5 HG LEU 5 -0.981 5.052 -6.030 44 HD11 LEU 5 HD11 LEU 5 -2.602 3.347 -5.098 45 HD12 LEU 5 HD12 LEU 5 -3.961 4.465 -5.478 46 HD13 LEU 5 HD13 LEU 5 -2.708 4.926 -4.260 47 HD21 LEU 5 HD21 LEU 5 -1.833 3.106 -7.351 48 HD22 LEU 5 HD22 LEU 5 -1.469 4.522 -8.409 49 HD23 LEU 5 HD23 LEU 5 -3.174 4.123 -7.984 50 H ALA 6 HN ALA 6 -1.654 7.212 -3.142 51 HA ALA 6 HA ALA 6 -4.321 6.911 -2.248 52 HB1 ALA 6 HB1 ALA 6 -1.773 7.708 -0.709 53 HB2 ALA 6 HB2 ALA 6 -3.303 7.099 0.028 54 HB3 ALA 6 HB3 ALA 6 -2.317 6.023 -1.027 55 H SER 7 HN SER 7 -2.102 9.749 -2.223 56 HA SER 7 HA SER 7 -3.906 11.601 -1.147 57 HB2 SER 7 HB1 SER 7 -1.629 12.066 -3.166 58 HB3 SER 7 HB2 SER 7 -2.437 13.346 -2.175 59 HG SER 7 HG1 SER 7 -0.488 12.578 -1.222 60 H LEU 8 HN LEU 8 -3.329 10.593 -4.514 61 HA LEU 8 HA LEU 8 -5.060 12.459 -5.738 62 HB2 LEU 8 HB1 LEU 8 -3.202 11.038 -6.822 63 HB3 LEU 8 HB2 LEU 8 -4.311 9.640 -6.703 64 HG LEU 8 HG LEU 8 -5.979 10.981 -8.137 65 HD11 LEU 8 HD11 LEU 8 -5.037 12.832 -9.529 66 HD12 LEU 8 HD12 LEU 8 -3.493 12.760 -8.608 67 HD13 LEU 8 HD13 LEU 8 -5.011 13.286 -7.785 68 HD21 LEU 8 HD21 LEU 8 -4.784 10.457 -10.257 69 HD22 LEU 8 HD22 LEU 8 -4.566 9.140 -9.048 70 HD23 LEU 8 HD23 LEU 8 -3.229 10.311 -9.362 71 H ALA 9 HN ALA 9 -5.617 9.077 -4.636 72 HA ALA 9 HA ALA 9 -8.292 8.871 -5.339 73 HB1 ALA 9 HB1 ALA 9 -6.717 7.532 -3.057 74 HB2 ALA 9 HB2 ALA 9 -8.289 6.947 -3.726 75 HB3 ALA 9 HB3 ALA 9 -6.808 6.943 -4.752 76 H ALA 10 HN ALA 10 -6.858 10.059 -2.213 77 HA ALA 10 HA ALA 10 -9.347 10.576 -1.009 78 HB1 ALA 10 HB1 ALA 10 -8.020 12.082 0.492 79 HB2 ALA 10 HB2 ALA 10 -7.145 10.536 0.195 80 HB3 ALA 10 HB3 ALA 10 -6.644 12.024 -0.679 81 H LYS 11 HN LYS 11 -7.301 12.708 -3.038 82 HA LYS 11 HA LYS 11 -8.968 14.950 -2.922 83 HB2 LYS 11 HB1 LYS 11 -6.650 15.194 -3.478 84 HB3 LYS 11 HB2 LYS 11 -6.767 13.991 -4.784 85 HG2 LYS 11 HG1 LYS 11 -6.484 16.256 -5.708 86 HG3 LYS 11 HG2 LYS 11 -7.997 15.470 -6.215 87 HD2 LYS 11 HD1 LYS 11 -8.984 16.905 -4.075 88 HD3 LYS 11 HD2 LYS 11 -7.545 17.895 -4.407 89 HE2 LYS 11 HE1 LYS 11 -9.615 18.754 -5.568 90 HE3 LYS 11 HE2 LYS 11 -8.362 18.269 -6.781 91 HZ1 LYS 11 HZ1 LYS 11 -9.554 16.375 -7.319 92 HZ2 LYS 11 HZ2 LYS 11 -10.814 17.479 -7.029 93 HZ3 LYS 11 HZ3 LYS 11 -10.379 16.325 -5.861 94 H PHE 12 HN PHE 12 -9.007 12.305 -5.397 95 HA PHE 12 HA PHE 12 -11.317 13.687 -6.651 96 HB2 PHE 12 HB1 PHE 12 -9.265 11.665 -7.712 97 HB3 PHE 12 HB2 PHE 12 -10.774 12.077 -8.607 98 HD1 PHE 12 HD1 PHE 12 -7.416 13.176 -7.811 99 HD2 PHE 12 HD2 PHE 12 -11.252 14.438 -9.247 100 HE1 PHE 12 HE1 PHE 12 -6.375 15.198 -8.808 101 HE2 PHE 12 HE2 PHE 12 -10.219 16.458 -10.252 102 HZ PHE 12 HZ PHE 12 -7.778 16.843 -10.022 103 H GLY 13 HN GLY 13 -10.859 11.120 -4.468 104 HA2 GLY 13 HA1 GLY 13 -13.386 9.883 -5.405 105 HA3 GLY 13 HA2 GLY 13 -12.013 9.057 -4.607 106 HA PRO 14 HA PRO 14 -13.732 11.244 -0.899 107 HB2 PRO 14 HB1 PRO 14 -15.775 13.149 -0.975 108 HB3 PRO 14 HB2 PRO 14 -14.055 13.558 -1.335 109 HG2 PRO 14 HG1 PRO 14 -16.240 12.843 -3.379 110 HG3 PRO 14 HG2 PRO 14 -15.175 14.310 -3.361 111 HD2 PRO 14 HD1 PRO 14 -14.489 12.107 -4.862 112 HD3 PRO 14 HD2 PRO 14 -13.220 13.001 -3.912 113 H LYS 15 HN LYS 15 -15.809 10.100 -3.327 114 HA LYS 15 HA LYS 15 -18.035 9.132 -1.909 115 HB2 LYS 15 HB1 LYS 15 -17.774 9.197 -4.402 116 HB3 LYS 15 HB2 LYS 15 -16.417 8.038 -4.297 117 HG2 LYS 15 HG1 LYS 15 -18.027 6.272 -3.447 118 HG3 LYS 15 HG2 LYS 15 -19.370 7.445 -3.635 119 HD2 LYS 15 HD1 LYS 15 -18.837 7.649 -6.083 120 HD3 LYS 15 HD2 LYS 15 -17.460 6.516 -5.877 121 HE2 LYS 15 HE1 LYS 15 -19.071 4.674 -5.225 122 HE3 LYS 15 HE2 LYS 15 -20.454 5.813 -5.481 123 HZ1 LYS 15 HZ1 LYS 15 -18.462 4.974 -7.542 124 HZ2 LYS 15 HZ2 LYS 15 -19.742 6.051 -7.789 125 HZ3 LYS 15 HZ3 LYS 15 -20.059 4.430 -7.416 126 H LEU 16 HN LEU 16 -14.752 7.680 -2.400 127 HA LEU 16 HA LEU 16 -15.365 5.341 -0.844 128 HB2 LEU 16 HB1 LEU 16 -12.701 6.576 -1.758 129 HB3 LEU 16 HB2 LEU 16 -12.865 4.979 -0.965 130 HG LEU 16 HG LEU 16 -14.099 5.739 -3.678 131 HD11 LEU 16 HD11 LEU 16 -11.640 4.011 -2.990 132 HD12 LEU 16 HD12 LEU 16 -11.605 5.648 -3.742 133 HD13 LEU 16 HD13 LEU 16 -12.331 4.257 -4.634 134 HD21 LEU 16 HD21 LEU 16 -15.439 3.954 -2.550 135 HD22 LEU 16 HD22 LEU 16 -13.929 3.032 -2.199 136 HD23 LEU 16 HD23 LEU 16 -14.473 3.250 -3.899 137 H PHE 17 HN PHE 17 -13.759 8.469 -0.253 138 HA PHE 17 HA PHE 17 -12.780 7.874 2.266 139 HB2 PHE 17 HB1 PHE 17 -12.511 9.953 0.510 140 HB3 PHE 17 HB2 PHE 17 -13.614 10.750 1.684 141 HD1 PHE 17 HD1 PHE 17 -12.864 10.799 4.150 142 HD2 PHE 17 HD2 PHE 17 -10.267 9.514 0.978 143 HE1 PHE 17 HE1 PHE 17 -10.899 11.150 5.614 144 HE2 PHE 17 HE2 PHE 17 -8.302 9.858 2.445 145 HZ PHE 17 HZ PHE 17 -8.616 10.683 4.762 146 HN2 ABA 18 HN AGL 18 -15.959 9.372 1.434 147 HA ABA 18 HA AGL 18 -16.902 9.593 4.065 148 HB3 ABA 18 HB2 AGL 18 -18.318 9.176 1.376 149 HB2 ABA 18 HB1 AGL 18 -17.970 10.727 2.158 150 HG3 ABA 18 HG AGL 18 -20.224 8.744 2.764 151 H LEU 19 HN LEU 19 -17.083 6.762 1.814 152 HA LEU 19 HA LEU 19 -18.643 5.203 3.581 153 HB2 LEU 19 HB1 LEU 19 -16.790 4.443 1.270 154 HB3 LEU 19 HB2 LEU 19 -17.837 3.262 2.122 155 HG LEU 19 HG LEU 19 -18.903 5.753 0.677 156 HD11 LEU 19 HD11 LEU 19 -18.757 2.827 -0.286 157 HD12 LEU 19 HD12 LEU 19 -17.797 4.215 -0.930 158 HD13 LEU 19 HD13 LEU 19 -19.591 4.185 -1.136 159 HD21 LEU 19 HD21 LEU 19 -20.461 4.917 2.434 160 HD22 LEU 19 HD22 LEU 19 -20.328 3.243 1.776 161 HD23 LEU 19 HD23 LEU 19 -21.102 4.543 0.796 162 H VAL 20 HN VAL 20 -15.015 5.284 3.198 163 HA VAL 20 HA VAL 20 -14.734 3.212 5.116 164 HB VAL 20 HB VAL 20 -12.370 3.691 5.230 165 HG11 VAL 20 HG11 VAL 20 -13.523 3.742 2.360 166 HG12 VAL 20 HG12 VAL 20 -11.899 3.155 2.859 167 HG13 VAL 20 HG13 VAL 20 -13.375 2.279 3.407 168 HG21 VAL 20 HG21 VAL 20 -11.388 5.459 3.719 169 HG22 VAL 20 HG22 VAL 20 -13.039 6.100 3.407 170 HG23 VAL 20 HG23 VAL 20 -12.325 6.190 5.063 171 H THR 21 HN THR 21 -14.522 6.816 5.587 172 HA THR 21 HA THR 21 -14.002 6.470 8.362 173 HB THR 21 HB THR 21 -15.129 9.002 7.127 174 HG1 THR 21 HG1 THR 21 -12.414 8.262 7.379 175 HG21 THR 21 HG21 THR 21 -13.711 10.037 8.948 176 HG22 THR 21 HG22 THR 21 -13.195 8.404 9.498 177 HG23 THR 21 HG23 THR 21 -14.908 8.909 9.681 178 H LYS 22 HN LYS 22 -16.953 6.589 6.484 179 HA LYS 22 HA LYS 22 -19.076 6.479 6.869 180 HB2 LYS 22 HB1 LYS 22 -18.366 5.425 9.642 181 HB3 LYS 22 HB2 LYS 22 -19.959 5.263 8.861 182 HG2 LYS 22 HG1 LYS 22 -19.244 3.687 7.290 183 HG3 LYS 22 HG2 LYS 22 -17.516 4.072 7.439 184 HD2 LYS 22 HD1 LYS 22 -18.838 3.139 9.991 185 HD3 LYS 22 HD2 LYS 22 -18.789 1.937 8.678 186 HE2 LYS 22 HE1 LYS 22 -16.810 1.839 10.305 187 HE3 LYS 22 HE2 LYS 22 -16.384 1.928 8.550 188 HZ1 LYS 22 HZ1 LYS 22 -16.612 4.501 9.879 189 HZ2 LYS 22 HZ2 LYS 22 -15.496 3.910 8.770 190 HZ3 LYS 22 HZ3 LYS 22 -15.324 3.520 10.406 191 H LYS 23 HN LYS 23 -17.603 9.038 8.017 192 HA LYS 23 HA LYS 23 -19.910 9.888 9.695 193 HB2 LYS 23 HB1 LYS 23 -18.605 11.357 10.892 194 HB3 LYS 23 HB2 LYS 23 -17.643 9.872 10.809 195 HG2 LYS 23 HG1 LYS 23 -15.964 10.819 9.571 196 HG3 LYS 23 HG2 LYS 23 -16.992 11.929 8.639 197 HD2 LYS 23 HD1 LYS 23 -16.510 12.386 11.646 198 HD3 LYS 23 HD2 LYS 23 -15.306 12.852 10.420 199 HE2 LYS 23 HE1 LYS 23 -16.635 14.821 10.988 200 HE3 LYS 23 HE2 LYS 23 -16.907 14.358 9.264 201 HZ1 LYS 23 HZ1 LYS 23 -18.952 14.961 10.441 202 HZ2 LYS 23 HZ2 LYS 23 -18.738 13.666 11.518 203 HZ3 LYS 23 HZ3 LYS 23 -18.981 13.380 9.868 204 HN2 ABA 24 HN AGL 24 -19.434 10.120 6.531 205 HA ABA 24 HA AGL 24 -19.274 12.959 6.204 206 HB3 ABA 24 HB2 AGL 24 -18.337 11.579 4.480 207 HB2 ABA 24 HB1 AGL 24 -19.655 12.573 3.811 208 HG3 ABA 24 HG AGL 24 -21.136 10.268 4.338 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 -1.449 0.168 -2.904 2 HA PHE 1 HA PHE 1 0.553 -0.005 -1.361 3 HB2 PHE 1 HB1 PHE 1 0.969 -0.722 -4.344 4 HB3 PHE 1 HB2 PHE 1 1.820 -1.486 -2.947 5 HD1 PHE 1 HD1 PHE 1 0.110 -2.408 -1.053 6 HD2 PHE 1 HD2 PHE 1 -0.835 -1.880 -5.213 7 HE1 PHE 1 HE1 PHE 1 -1.738 -4.043 -0.844 8 HE2 PHE 1 HE2 PHE 1 -2.675 -3.520 -5.002 9 HZ PHE 1 HZ PHE 1 -3.134 -4.599 -2.818 10 H LEU 2 HN LEU 2 0.410 2.437 -3.686 11 HA LEU 2 HA LEU 2 3.208 3.244 -3.153 12 HB2 LEU 2 HB1 LEU 2 1.484 3.834 -5.627 13 HB3 LEU 2 HB2 LEU 2 3.021 4.675 -5.256 14 HG LEU 2 HG LEU 2 3.493 3.108 -6.922 15 HD11 LEU 2 HD11 LEU 2 5.224 3.248 -5.103 16 HD12 LEU 2 HD12 LEU 2 5.221 1.652 -5.951 17 HD13 LEU 2 HD13 LEU 2 4.489 1.793 -4.318 18 HD21 LEU 2 HD21 LEU 2 3.058 0.721 -6.932 19 HD22 LEU 2 HD22 LEU 2 1.506 1.595 -6.665 20 HD23 LEU 2 HD23 LEU 2 2.346 0.779 -5.286 21 HA PRO 3 HA PRO 3 0.943 6.260 -0.927 22 HB2 PRO 3 HB1 PRO 3 2.892 8.200 -0.311 23 HB3 PRO 3 HB2 PRO 3 2.844 6.555 0.417 24 HG2 PRO 3 HG1 PRO 3 4.487 7.443 -2.020 25 HG3 PRO 3 HG2 PRO 3 5.060 6.562 -0.544 26 HD2 PRO 3 HD1 PRO 3 4.418 5.184 -2.831 27 HD3 PRO 3 HD2 PRO 3 3.894 4.534 -1.215 28 H ILE 4 HN ILE 4 2.672 7.451 -3.720 29 HA ILE 4 HA ILE 4 1.586 9.855 -4.307 30 HB ILE 4 HB ILE 4 1.929 7.634 -6.341 31 HG12 ILE 4 HG11 ILE 4 3.984 7.629 -5.042 32 HG13 ILE 4 HG12 ILE 4 4.251 8.417 -6.615 33 HG21 ILE 4 HG21 ILE 4 2.511 9.602 -7.833 34 HG22 ILE 4 HG22 ILE 4 0.819 9.685 -7.237 35 HG23 ILE 4 HG23 ILE 4 2.090 10.722 -6.490 36 HD11 ILE 4 HD1 ILE 4 5.449 9.648 -4.833 37 HD12 ILE 4 HD2 ILE 4 4.160 10.695 -5.505 38 HD13 ILE 4 HD3 ILE 4 3.928 9.900 -3.913 39 H LEU 5 HN LEU 5 0.041 6.798 -5.463 40 HA LEU 5 HA LEU 5 -2.246 8.152 -6.363 41 HB2 LEU 5 HB1 LEU 5 -3.175 5.969 -6.905 42 HB3 LEU 5 HB2 LEU 5 -1.478 6.136 -7.411 43 HG LEU 5 HG LEU 5 -0.958 4.905 -5.088 44 HD11 LEU 5 HD11 LEU 5 -3.341 4.771 -4.264 45 HD12 LEU 5 HD12 LEU 5 -2.658 3.140 -4.583 46 HD13 LEU 5 HD13 LEU 5 -3.795 3.884 -5.763 47 HD21 LEU 5 HD21 LEU 5 -0.964 2.747 -6.330 48 HD22 LEU 5 HD22 LEU 5 -0.355 4.091 -7.367 49 HD23 LEU 5 HD23 LEU 5 -2.030 3.467 -7.591 50 H ALA 6 HN ALA 6 -1.552 6.785 -3.157 51 HA ALA 6 HA ALA 6 -4.198 6.835 -2.197 52 HB1 ALA 6 HB1 ALA 6 -2.273 5.723 -1.021 53 HB2 ALA 6 HB2 ALA 6 -1.553 7.342 -0.701 54 HB3 ALA 6 HB3 ALA 6 -3.126 6.888 0.054 55 H SER 7 HN SER 7 -1.728 9.405 -2.362 56 HA SER 7 HA SER 7 -3.238 11.434 -1.107 57 HB2 SER 7 HB1 SER 7 -1.068 11.743 -3.273 58 HB3 SER 7 HB2 SER 7 -1.703 13.051 -2.209 59 HG SER 7 HG1 SER 7 -0.245 10.730 -1.447 60 H LEU 8 HN LEU 8 -2.997 10.478 -4.541 61 HA LEU 8 HA LEU 8 -4.732 12.426 -5.598 62 HB2 LEU 8 HB1 LEU 8 -3.063 10.946 -6.849 63 HB3 LEU 8 HB2 LEU 8 -4.174 9.572 -6.601 64 HG LEU 8 HG LEU 8 -5.957 10.913 -7.887 65 HD11 LEU 8 HD11 LEU 8 -4.964 13.215 -7.658 66 HD12 LEU 8 HD12 LEU 8 -5.136 12.738 -9.385 67 HD13 LEU 8 HD13 LEU 8 -3.518 12.676 -8.599 68 HD21 LEU 8 HD21 LEU 8 -4.974 10.360 -10.103 69 HD22 LEU 8 HD22 LEU 8 -4.648 9.053 -8.908 70 HD23 LEU 8 HD23 LEU 8 -3.342 10.213 -9.359 71 H ALA 9 HN ALA 9 -5.392 9.073 -4.471 72 HA ALA 9 HA ALA 9 -8.100 8.966 -4.960 73 HB1 ALA 9 HB1 ALA 9 -6.649 6.991 -4.392 74 HB2 ALA 9 HB2 ALA 9 -6.464 7.633 -2.727 75 HB3 ALA 9 HB3 ALA 9 -8.086 7.081 -3.308 76 H ALA 10 HN ALA 10 -6.380 10.394 -2.179 77 HA ALA 10 HA ALA 10 -8.844 10.977 -0.792 78 HB1 ALA 10 HB1 ALA 10 -6.670 10.526 0.332 79 HB2 ALA 10 HB2 ALA 10 -5.944 12.011 -0.377 80 HB3 ALA 10 HB3 ALA 10 -7.306 12.136 0.797 81 H LYS 11 HN LYS 11 -7.955 12.226 -3.626 82 HA LYS 11 HA LYS 11 -9.450 14.713 -2.970 83 HB2 LYS 11 HB1 LYS 11 -7.170 14.310 -4.989 84 HB3 LYS 11 HB2 LYS 11 -8.440 15.520 -5.292 85 HG2 LYS 11 HG1 LYS 11 -6.800 16.799 -4.359 86 HG3 LYS 11 HG2 LYS 11 -8.007 16.667 -3.118 87 HD2 LYS 11 HD1 LYS 11 -6.207 14.434 -2.559 88 HD3 LYS 11 HD2 LYS 11 -5.161 15.576 -3.219 89 HE2 LYS 11 HE1 LYS 11 -5.225 15.774 -0.763 90 HE3 LYS 11 HE2 LYS 11 -5.840 17.332 -1.449 91 HZ1 LYS 11 HZ1 LYS 11 -7.624 15.108 -0.722 92 HZ2 LYS 11 HZ2 LYS 11 -8.036 16.700 -1.034 93 HZ3 LYS 11 HZ3 LYS 11 -7.195 16.329 0.397 94 H PHE 12 HN PHE 12 -8.830 12.191 -5.500 95 HA PHE 12 HA PHE 12 -11.318 12.979 -6.797 96 HB2 PHE 12 HB1 PHE 12 -8.991 11.103 -7.534 97 HB3 PHE 12 HB2 PHE 12 -10.490 11.239 -8.544 98 HD1 PHE 12 HD1 PHE 12 -7.418 13.005 -7.425 99 HD2 PHE 12 HD2 PHE 12 -11.060 13.280 -9.694 100 HE1 PHE 12 HE1 PHE 12 -6.560 15.041 -8.563 101 HE2 PHE 12 HE2 PHE 12 -10.201 15.302 -10.833 102 HZ PHE 12 HZ PHE 12 -7.954 16.183 -10.272 103 H GLY 13 HN GLY 13 -10.633 10.799 -4.321 104 HA2 GLY 13 HA1 GLY 13 -12.911 9.081 -5.108 105 HA3 GLY 13 HA2 GLY 13 -11.560 8.653 -4.029 106 HA PRO 14 HA PRO 14 -13.985 11.260 -1.012 107 HB2 PRO 14 HB1 PRO 14 -16.207 12.806 -1.698 108 HB3 PRO 14 HB2 PRO 14 -14.515 13.407 -1.880 109 HG2 PRO 14 HG1 PRO 14 -16.251 12.100 -4.053 110 HG3 PRO 14 HG2 PRO 14 -15.351 13.667 -4.141 111 HD2 PRO 14 HD1 PRO 14 -14.252 11.339 -5.122 112 HD3 PRO 14 HD2 PRO 14 -13.224 12.550 -4.237 113 H LYS 15 HN LYS 15 -15.757 9.676 -3.526 114 HA LYS 15 HA LYS 15 -17.944 8.598 -2.161 115 HB2 LYS 15 HB1 LYS 15 -17.558 8.542 -4.630 116 HB3 LYS 15 HB2 LYS 15 -16.112 7.520 -4.395 117 HG2 LYS 15 HG1 LYS 15 -17.590 5.651 -3.547 118 HG3 LYS 15 HG2 LYS 15 -19.027 6.682 -3.841 119 HD2 LYS 15 HD1 LYS 15 -18.415 6.838 -6.269 120 HD3 LYS 15 HD2 LYS 15 -16.937 5.869 -5.964 121 HE2 LYS 15 HE1 LYS 15 -18.362 3.887 -5.308 122 HE3 LYS 15 HE2 LYS 15 -19.851 4.857 -5.649 123 HZ1 LYS 15 HZ1 LYS 15 -19.092 5.097 -7.941 124 HZ2 LYS 15 HZ2 LYS 15 -19.234 3.463 -7.520 125 HZ3 LYS 15 HZ3 LYS 15 -17.706 4.183 -7.617 126 H LEU 16 HN LEU 16 -14.550 7.354 -2.379 127 HA LEU 16 HA LEU 16 -15.101 5.097 -0.670 128 HB2 LEU 16 HB1 LEU 16 -12.469 6.408 -1.577 129 HB3 LEU 16 HB2 LEU 16 -12.589 4.856 -0.690 130 HG LEU 16 HG LEU 16 -13.746 5.379 -3.493 131 HD11 LEU 16 HD11 LEU 16 -11.856 3.957 -4.291 132 HD12 LEU 16 HD12 LEU 16 -11.217 3.851 -2.612 133 HD13 LEU 16 HD13 LEU 16 -11.250 5.439 -3.462 134 HD21 LEU 16 HD21 LEU 16 -15.019 3.589 -2.297 135 HD22 LEU 16 HD22 LEU 16 -13.471 2.780 -1.846 136 HD23 LEU 16 HD23 LEU 16 -13.969 2.867 -3.572 137 H PHE 17 HN PHE 17 -13.642 8.331 -0.320 138 HA PHE 17 HA PHE 17 -12.665 8.016 2.229 139 HB2 PHE 17 HB1 PHE 17 -12.442 9.930 0.326 140 HB3 PHE 17 HB2 PHE 17 -13.649 10.778 1.356 141 HD1 PHE 17 HD1 PHE 17 -13.034 11.126 3.840 142 HD2 PHE 17 HD2 PHE 17 -10.200 9.677 0.952 143 HE1 PHE 17 HE1 PHE 17 -11.183 11.666 5.385 144 HE2 PHE 17 HE2 PHE 17 -8.344 10.234 2.497 145 HZ PHE 17 HZ PHE 17 -8.836 11.229 4.715 146 HN2 ABA 18 HN AGL 18 -15.920 9.192 1.278 147 HA ABA 18 HA AGL 18 -16.914 9.724 3.836 148 HB3 ABA 18 HB2 AGL 18 -18.183 8.782 1.204 149 HB2 ABA 18 HB1 AGL 18 -18.007 10.457 1.750 150 HG3 ABA 18 HG AGL 18 -20.161 8.442 2.477 151 H LEU 19 HN LEU 19 -16.886 6.596 2.022 152 HA LEU 19 HA LEU 19 -18.399 5.211 3.975 153 HB2 LEU 19 HB1 LEU 19 -16.470 4.226 1.802 154 HB3 LEU 19 HB2 LEU 19 -17.550 3.151 2.747 155 HG LEU 19 HG LEU 19 -18.536 5.436 0.940 156 HD11 LEU 19 HD11 LEU 19 -18.370 2.407 0.389 157 HD12 LEU 19 HD12 LEU 19 -17.370 3.695 -0.389 158 HD13 LEU 19 HD13 LEU 19 -19.152 3.640 -0.674 159 HD21 LEU 19 HD21 LEU 19 -20.032 3.101 2.299 160 HD22 LEU 19 HD22 LEU 19 -20.749 4.261 1.123 161 HD23 LEU 19 HD23 LEU 19 -20.178 4.847 2.725 162 H VAL 20 HN VAL 20 -14.808 5.316 3.426 163 HA VAL 20 HA VAL 20 -14.315 3.544 5.566 164 HB VAL 20 HB VAL 20 -11.978 4.091 5.424 165 HG11 VAL 20 HG11 VAL 20 -13.048 2.500 3.797 166 HG12 VAL 20 HG12 VAL 20 -13.311 3.861 2.640 167 HG13 VAL 20 HG13 VAL 20 -11.639 3.366 3.083 168 HG21 VAL 20 HG21 VAL 20 -12.051 6.558 5.072 169 HG22 VAL 20 HG22 VAL 20 -11.165 5.770 3.726 170 HG23 VAL 20 HG23 VAL 20 -12.862 6.321 3.475 171 H THR 21 HN THR 21 -14.611 7.077 5.538 172 HA THR 21 HA THR 21 -13.688 7.236 8.290 173 HB THR 21 HB THR 21 -15.122 9.519 6.883 174 HG1 THR 21 HG1 THR 21 -13.554 8.909 5.443 175 HG21 THR 21 HG21 THR 21 -13.449 10.836 8.242 176 HG22 THR 21 HG22 THR 21 -12.719 9.309 8.841 177 HG23 THR 21 HG23 THR 21 -14.387 9.756 9.345 178 H LYS 22 HN LYS 22 -16.593 6.339 6.815 179 HA LYS 22 HA LYS 22 -18.633 5.971 7.460 180 HB2 LYS 22 HB1 LYS 22 -17.109 4.718 9.105 181 HB3 LYS 22 HB2 LYS 22 -17.609 5.942 10.308 182 HG2 LYS 22 HG1 LYS 22 -20.041 4.942 9.095 183 HG3 LYS 22 HG2 LYS 22 -19.003 3.502 9.306 184 HD2 LYS 22 HD1 LYS 22 -19.771 5.565 11.470 185 HD3 LYS 22 HD2 LYS 22 -20.557 3.970 11.238 186 HE2 LYS 22 HE1 LYS 22 -18.401 2.795 11.807 187 HE3 LYS 22 HE2 LYS 22 -17.587 4.392 12.043 188 HZ1 LYS 22 HZ1 LYS 22 -18.334 3.463 14.126 189 HZ2 LYS 22 HZ2 LYS 22 -19.937 3.386 13.576 190 HZ3 LYS 22 HZ3 LYS 22 -19.184 4.888 13.783 191 H LYS 23 HN LYS 23 -17.903 8.966 7.584 192 HA LYS 23 HA LYS 23 -20.325 9.791 9.054 193 HB2 LYS 23 HB1 LYS 23 -19.250 11.306 10.515 194 HB3 LYS 23 HB2 LYS 23 -18.463 9.731 10.730 195 HG2 LYS 23 HG1 LYS 23 -16.451 10.347 9.660 196 HG3 LYS 23 HG2 LYS 23 -17.151 11.715 8.781 197 HD2 LYS 23 HD1 LYS 23 -16.508 11.558 11.784 198 HD3 LYS 23 HD2 LYS 23 -15.706 12.554 10.542 199 HE2 LYS 23 HE1 LYS 23 -18.512 12.941 11.779 200 HE3 LYS 23 HE2 LYS 23 -17.101 14.060 11.831 201 HZ1 LYS 23 HZ1 LYS 23 -18.791 14.745 10.231 202 HZ2 LYS 23 HZ2 LYS 23 -18.634 13.294 9.385 203 HZ3 LYS 23 HZ3 LYS 23 -17.333 14.367 9.439 204 HN2 ABA 24 HN AGL 24 -19.656 9.963 6.148 205 HA ABA 24 HA AGL 24 -19.480 12.834 5.730 206 HB3 ABA 24 HB2 AGL 24 -18.447 11.477 4.033 207 HB2 ABA 24 HB1 AGL 24 -19.831 12.368 3.338 208 HG3 ABA 24 HG AGL 24 -21.187 10.030 3.910 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 0.618 1.117 0.151 2 HA PHE 1 HA PHE 1 3.167 0.785 -0.928 3 HB2 PHE 1 HB1 PHE 1 0.971 -1.154 -1.899 4 HB3 PHE 1 HB2 PHE 1 2.417 -0.760 -2.904 5 HD1 PHE 1 HD1 PHE 1 4.593 -1.613 -2.363 6 HD2 PHE 1 HD2 PHE 1 1.267 -2.377 0.243 7 HE1 PHE 1 HE1 PHE 1 5.918 -3.340 -1.180 8 HE2 PHE 1 HE2 PHE 1 2.588 -4.105 1.426 9 HZ PHE 1 HZ PHE 1 4.916 -4.587 0.719 10 H LEU 2 HN LEU 2 3.039 1.449 -3.358 11 HA LEU 2 HA LEU 2 2.790 3.262 -4.609 12 HB2 LEU 2 HB1 LEU 2 -0.131 2.433 -4.571 13 HB3 LEU 2 HB2 LEU 2 0.681 3.433 -5.809 14 HG LEU 2 HG LEU 2 2.326 1.194 -5.790 15 HD11 LEU 2 HD11 LEU 2 0.854 -0.814 -5.886 16 HD12 LEU 2 HD12 LEU 2 -0.583 0.192 -5.484 17 HD13 LEU 2 HD13 LEU 2 0.708 -0.044 -4.256 18 HD21 LEU 2 HD21 LEU 2 1.415 2.399 -7.794 19 HD22 LEU 2 HD22 LEU 2 -0.189 1.617 -7.520 20 HD23 LEU 2 HD23 LEU 2 1.238 0.609 -7.938 21 HA PRO 3 HA PRO 3 0.950 5.734 -1.127 22 HB2 PRO 3 HB1 PRO 3 3.072 7.449 -0.378 23 HB3 PRO 3 HB2 PRO 3 2.897 5.740 0.178 24 HG2 PRO 3 HG1 PRO 3 4.520 6.756 -2.221 25 HG3 PRO 3 HG2 PRO 3 5.090 5.681 -0.874 26 HD2 PRO 3 HD1 PRO 3 4.263 4.575 -3.239 27 HD3 PRO 3 HD2 PRO 3 3.709 3.839 -1.660 28 H ILE 4 HN ILE 4 2.622 7.156 -3.848 29 HA ILE 4 HA ILE 4 1.692 9.714 -3.986 30 HB ILE 4 HB ILE 4 1.903 7.756 -6.311 31 HG12 ILE 4 HG11 ILE 4 4.005 9.606 -5.022 32 HG13 ILE 4 HG12 ILE 4 3.990 7.817 -4.906 33 HG21 ILE 4 HG21 ILE 4 2.028 10.855 -6.165 34 HG22 ILE 4 HG22 ILE 4 2.280 9.866 -7.647 35 HG23 ILE 4 HG23 ILE 4 0.672 9.902 -6.878 36 HD11 ILE 4 HD1 ILE 4 4.211 7.675 -7.436 37 HD12 ILE 4 HD2 ILE 4 4.409 9.465 -7.477 38 HD13 ILE 4 HD3 ILE 4 5.615 8.455 -6.613 39 H LEU 5 HN LEU 5 -0.104 6.912 -5.420 40 HA LEU 5 HA LEU 5 -2.242 8.612 -6.132 41 HB2 LEU 5 HB1 LEU 5 -3.347 6.659 -7.051 42 HB3 LEU 5 HB2 LEU 5 -1.635 6.765 -7.529 43 HG LEU 5 HG LEU 5 -1.155 5.036 -5.627 44 HD11 LEU 5 HD11 LEU 5 -3.351 5.001 -4.436 45 HD12 LEU 5 HD12 LEU 5 -3.052 3.421 -5.229 46 HD13 LEU 5 HD13 LEU 5 -4.194 4.592 -5.980 47 HD21 LEU 5 HD21 LEU 5 -0.981 4.567 -8.062 48 HD22 LEU 5 HD22 LEU 5 -2.759 4.274 -8.147 49 HD23 LEU 5 HD23 LEU 5 -1.712 3.166 -7.192 50 H ALA 6 HN ALA 6 -1.606 7.040 -3.100 51 HA ALA 6 HA ALA 6 -4.249 6.817 -2.181 52 HB1 ALA 6 HB1 ALA 6 -2.248 5.861 -1.005 53 HB2 ALA 6 HB2 ALA 6 -1.688 7.528 -0.622 54 HB3 ALA 6 HB3 ALA 6 -3.226 6.903 0.089 55 H SER 7 HN SER 7 -2.052 9.658 -2.250 56 HA SER 7 HA SER 7 -3.965 11.412 -1.038 57 HB2 SER 7 HB1 SER 7 -1.511 11.946 -1.178 58 HB3 SER 7 HB2 SER 7 -1.693 12.207 -2.940 59 HG SER 7 HG1 SER 7 -1.823 14.117 -1.659 60 H LEU 8 HN LEU 8 -3.290 10.523 -4.445 61 HA LEU 8 HA LEU 8 -5.024 12.383 -5.639 62 HB2 LEU 8 HB1 LEU 8 -3.154 11.010 -6.735 63 HB3 LEU 8 HB2 LEU 8 -4.243 9.595 -6.652 64 HG LEU 8 HG LEU 8 -5.919 10.925 -8.077 65 HD11 LEU 8 HD11 LEU 8 -5.016 12.825 -9.418 66 HD12 LEU 8 HD12 LEU 8 -3.479 12.781 -8.484 67 HD13 LEU 8 HD13 LEU 8 -5.023 13.247 -7.669 68 HD21 LEU 8 HD21 LEU 8 -4.694 10.479 -10.192 69 HD22 LEU 8 HD22 LEU 8 -4.451 9.140 -9.013 70 HD23 LEU 8 HD23 LEU 8 -3.142 10.353 -9.289 71 H ALA 9 HN ALA 9 -5.624 8.974 -4.623 72 HA ALA 9 HA ALA 9 -8.337 9.031 -5.531 73 HB1 ALA 9 HB1 ALA 9 -6.852 7.016 -5.714 74 HB2 ALA 9 HB2 ALA 9 -6.715 6.966 -3.922 75 HB3 ALA 9 HB3 ALA 9 -8.308 6.661 -4.715 76 H ALA 10 HN ALA 10 -7.040 10.446 -2.907 77 HA ALA 10 HA ALA 10 -9.562 10.173 -1.356 78 HB1 ALA 10 HB1 ALA 10 -6.784 11.275 -0.565 79 HB2 ALA 10 HB2 ALA 10 -8.232 11.194 0.522 80 HB3 ALA 10 HB3 ALA 10 -7.455 9.686 -0.079 81 H LYS 11 HN LYS 11 -7.520 12.327 -3.293 82 HA LYS 11 HA LYS 11 -9.106 14.677 -2.695 83 HB2 LYS 11 HB1 LYS 11 -6.588 14.151 -3.971 84 HB3 LYS 11 HB2 LYS 11 -7.640 14.692 -5.283 85 HG2 LYS 11 HG1 LYS 11 -6.560 16.656 -4.450 86 HG3 LYS 11 HG2 LYS 11 -8.271 16.728 -3.969 87 HD2 LYS 11 HD1 LYS 11 -6.988 17.552 -2.163 88 HD3 LYS 11 HD2 LYS 11 -7.629 15.992 -1.608 89 HE2 LYS 11 HE1 LYS 11 -4.773 16.287 -2.799 90 HE3 LYS 11 HE2 LYS 11 -5.122 16.693 -1.074 91 HZ1 LYS 11 HZ1 LYS 11 -5.836 14.469 -0.676 92 HZ2 LYS 11 HZ2 LYS 11 -4.322 14.398 -1.441 93 HZ3 LYS 11 HZ3 LYS 11 -5.692 14.035 -2.299 94 H PHE 12 HN PHE 12 -8.909 12.343 -5.436 95 HA PHE 12 HA PHE 12 -11.387 13.450 -6.540 96 HB2 PHE 12 HB1 PHE 12 -9.257 11.482 -7.605 97 HB3 PHE 12 HB2 PHE 12 -10.774 11.886 -8.495 98 HD1 PHE 12 HD1 PHE 12 -7.430 13.055 -7.609 99 HD2 PHE 12 HD2 PHE 12 -11.248 14.213 -9.188 100 HE1 PHE 12 HE1 PHE 12 -6.409 15.106 -8.578 101 HE2 PHE 12 HE2 PHE 12 -10.233 16.251 -10.160 102 HZ PHE 12 HZ PHE 12 -7.815 16.699 -9.855 103 H GLY 13 HN GLY 13 -10.745 11.274 -4.195 104 HA2 GLY 13 HA1 GLY 13 -12.956 9.463 -5.033 105 HA3 GLY 13 HA2 GLY 13 -11.601 9.024 -3.966 106 HA PRO 14 HA PRO 14 -14.115 11.424 -0.857 107 HB2 PRO 14 HB1 PRO 14 -16.327 13.001 -1.504 108 HB3 PRO 14 HB2 PRO 14 -14.633 13.620 -1.588 109 HG2 PRO 14 HG1 PRO 14 -16.288 12.465 -3.905 110 HG3 PRO 14 HG2 PRO 14 -15.392 14.039 -3.849 111 HD2 PRO 14 HD1 PRO 14 -14.254 11.787 -4.954 112 HD3 PRO 14 HD2 PRO 14 -13.258 12.937 -3.955 113 H LYS 15 HN LYS 15 -15.789 10.016 -3.535 114 HA LYS 15 HA LYS 15 -18.016 8.828 -2.341 115 HB2 LYS 15 HB1 LYS 15 -17.523 8.956 -4.788 116 HB3 LYS 15 HB2 LYS 15 -16.084 7.921 -4.566 117 HG2 LYS 15 HG1 LYS 15 -17.591 5.994 -3.925 118 HG3 LYS 15 HG2 LYS 15 -19.018 7.044 -4.204 119 HD2 LYS 15 HD1 LYS 15 -18.300 7.383 -6.584 120 HD3 LYS 15 HD2 LYS 15 -16.834 6.391 -6.288 121 HE2 LYS 15 HE1 LYS 15 -18.285 4.367 -5.849 122 HE3 LYS 15 HE2 LYS 15 -19.758 5.363 -6.183 123 HZ1 LYS 15 HZ1 LYS 15 -18.894 5.776 -8.412 124 HZ2 LYS 15 HZ2 LYS 15 -19.052 4.116 -8.126 125 HZ3 LYS 15 HZ3 LYS 15 -17.523 4.838 -8.095 126 H LEU 16 HN LEU 16 -14.600 7.618 -2.490 127 HA LEU 16 HA LEU 16 -15.256 5.263 -0.928 128 HB2 LEU 16 HB1 LEU 16 -12.573 6.525 -1.753 129 HB3 LEU 16 HB2 LEU 16 -12.752 4.945 -0.930 130 HG LEU 16 HG LEU 16 -13.860 5.618 -3.720 131 HD11 LEU 16 HD11 LEU 16 -11.363 5.597 -3.653 132 HD12 LEU 16 HD12 LEU 16 -12.005 4.173 -4.557 133 HD13 LEU 16 HD13 LEU 16 -11.392 3.973 -2.876 134 HD21 LEU 16 HD21 LEU 16 -15.205 3.822 -2.614 135 HD22 LEU 16 HD22 LEU 16 -13.689 2.945 -2.179 136 HD23 LEU 16 HD23 LEU 16 -14.162 3.119 -3.906 137 H PHE 17 HN PHE 17 -13.680 8.426 -0.428 138 HA PHE 17 HA PHE 17 -12.713 7.946 2.093 139 HB2 PHE 17 HB1 PHE 17 -12.285 9.887 0.333 140 HB3 PHE 17 HB2 PHE 17 -13.591 10.758 1.213 141 HD1 PHE 17 HD1 PHE 17 -13.172 11.539 3.511 142 HD2 PHE 17 HD2 PHE 17 -10.217 9.230 1.417 143 HE1 PHE 17 HE1 PHE 17 -11.488 12.133 5.229 144 HE2 PHE 17 HE2 PHE 17 -8.532 9.826 3.133 145 HZ PHE 17 HZ PHE 17 -9.168 11.279 5.041 146 HN2 ABA 18 HN AGL 18 -15.916 9.387 1.252 147 HA ABA 18 HA AGL 18 -16.763 9.812 3.897 148 HB3 ABA 18 HB2 AGL 18 -18.274 9.276 1.278 149 HB2 ABA 18 HB1 AGL 18 -17.806 10.862 1.913 150 HG3 ABA 18 HG AGL 18 -20.180 9.127 2.716 151 H LEU 19 HN LEU 19 -17.127 6.882 1.797 152 HA LEU 19 HA LEU 19 -18.729 5.501 3.674 153 HB2 LEU 19 HB1 LEU 19 -16.992 4.497 1.359 154 HB3 LEU 19 HB2 LEU 19 -18.136 3.463 2.277 155 HG LEU 19 HG LEU 19 -18.936 5.953 0.663 156 HD11 LEU 19 HD11 LEU 19 -18.086 4.135 -0.798 157 HD12 LEU 19 HD12 LEU 19 -19.871 4.331 -0.980 158 HD13 LEU 19 HD13 LEU 19 -19.208 2.957 -0.012 159 HD21 LEU 19 HD21 LEU 19 -20.556 5.509 2.506 160 HD22 LEU 19 HD22 LEU 19 -20.650 3.773 2.025 161 HD23 LEU 19 HD23 LEU 19 -21.273 5.054 0.921 162 H VAL 20 HN VAL 20 -15.147 5.343 3.134 163 HA VAL 20 HA VAL 20 -14.838 3.396 5.173 164 HB VAL 20 HB VAL 20 -13.254 3.729 3.325 165 HG11 VAL 20 HG11 VAL 20 -13.104 6.249 3.405 166 HG12 VAL 20 HG12 VAL 20 -12.212 6.133 4.973 167 HG13 VAL 20 HG13 VAL 20 -11.493 5.446 3.479 168 HG21 VAL 20 HG21 VAL 20 -12.059 3.833 6.176 169 HG22 VAL 20 HG22 VAL 20 -12.728 2.367 5.362 170 HG23 VAL 20 HG23 VAL 20 -11.261 3.179 4.704 171 H THR 21 HN THR 21 -14.700 6.962 5.308 172 HA THR 21 HA THR 21 -13.851 6.980 8.047 173 HB THR 21 HB THR 21 -15.132 9.320 6.566 174 HG1 THR 21 HG1 THR 21 -13.469 8.736 5.315 175 HG21 THR 21 HG21 THR 21 -13.546 10.618 8.058 176 HG22 THR 21 HG22 THR 21 -13.006 9.082 8.818 177 HG23 THR 21 HG23 THR 21 -14.699 9.658 9.059 178 H LYS 22 HN LYS 22 -16.918 6.627 6.517 179 HA LYS 22 HA LYS 22 -19.005 6.533 7.131 180 HB2 LYS 22 HB1 LYS 22 -17.869 5.860 9.869 181 HB3 LYS 22 HB2 LYS 22 -19.528 5.465 9.333 182 HG2 LYS 22 HG1 LYS 22 -18.831 3.801 7.810 183 HG3 LYS 22 HG2 LYS 22 -17.142 4.367 7.737 184 HD2 LYS 22 HD1 LYS 22 -18.388 3.238 10.300 185 HD3 LYS 22 HD2 LYS 22 -17.537 2.232 9.074 186 HE2 LYS 22 HE1 LYS 22 -15.432 3.517 9.363 187 HE3 LYS 22 HE2 LYS 22 -16.227 4.643 10.529 188 HZ1 LYS 22 HZ1 LYS 22 -14.967 2.938 11.638 189 HZ2 LYS 22 HZ2 LYS 22 -15.879 1.710 10.900 190 HZ3 LYS 22 HZ3 LYS 22 -16.619 2.779 11.993 191 H LYS 23 HN LYS 23 -17.712 9.292 7.739 192 HA LYS 23 HA LYS 23 -20.058 10.265 9.228 193 HB2 LYS 23 HB1 LYS 23 -18.906 11.424 10.895 194 HB3 LYS 23 HB2 LYS 23 -18.229 9.779 10.890 195 HG2 LYS 23 HG1 LYS 23 -16.121 10.580 10.608 196 HG3 LYS 23 HG2 LYS 23 -16.596 11.497 9.143 197 HD2 LYS 23 HD1 LYS 23 -17.634 13.257 10.679 198 HD3 LYS 23 HD2 LYS 23 -16.897 12.405 12.075 199 HE2 LYS 23 HE1 LYS 23 -14.594 12.862 11.112 200 HE3 LYS 23 HE2 LYS 23 -15.367 13.678 9.691 201 HZ1 LYS 23 HZ1 LYS 23 -14.701 15.279 11.357 202 HZ2 LYS 23 HZ2 LYS 23 -15.623 14.497 12.546 203 HZ3 LYS 23 HZ3 LYS 23 -16.394 15.235 11.235 204 HN2 ABA 24 HN AGL 24 -19.341 10.481 6.385 205 HA ABA 24 HA AGL 24 -18.685 13.275 6.030 206 HB3 ABA 24 HB2 AGL 24 -17.944 11.808 4.286 207 HB2 ABA 24 HB1 AGL 24 -19.180 12.916 3.627 208 HG3 ABA 24 HG AGL 24 -20.860 10.788 4.269 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 0.530 -1.761 -3.799 2 HA PHE 1 HA PHE 1 -0.785 0.465 -2.984 3 HB2 PHE 1 HB1 PHE 1 -0.314 -1.772 -1.700 4 HB3 PHE 1 HB2 PHE 1 1.194 -0.983 -1.115 5 HD1 PHE 1 HD1 PHE 1 1.040 0.578 0.698 6 HD2 PHE 1 HD2 PHE 1 -2.543 -0.665 -1.314 7 HE1 PHE 1 HE1 PHE 1 -0.326 1.655 2.466 8 HE2 PHE 1 HE2 PHE 1 -3.911 0.419 0.443 9 HZ PHE 1 HZ PHE 1 -2.804 1.576 2.338 10 H LEU 2 HN LEU 2 0.546 1.861 -4.582 11 HA LEU 2 HA LEU 2 3.021 2.849 -3.509 12 HB2 LEU 2 HB1 LEU 2 1.427 3.565 -6.014 13 HB3 LEU 2 HB2 LEU 2 2.902 4.450 -5.516 14 HG LEU 2 HG LEU 2 4.179 2.251 -5.558 15 HD11 LEU 2 HD11 LEU 2 3.291 0.464 -7.110 16 HD12 LEU 2 HD12 LEU 2 1.680 1.258 -7.079 17 HD13 LEU 2 HD13 LEU 2 2.379 0.549 -5.572 18 HD21 LEU 2 HD21 LEU 2 2.942 3.269 -8.193 19 HD22 LEU 2 HD22 LEU 2 4.479 2.352 -8.031 20 HD23 LEU 2 HD23 LEU 2 4.344 4.011 -7.331 21 HA PRO 3 HA PRO 3 0.837 5.802 -1.113 22 HB2 PRO 3 HB1 PRO 3 2.861 7.625 -0.347 23 HB3 PRO 3 HB2 PRO 3 2.704 5.944 0.285 24 HG2 PRO 3 HG1 PRO 3 4.452 6.886 -2.059 25 HG3 PRO 3 HG2 PRO 3 4.951 5.893 -0.630 26 HD2 PRO 3 HD1 PRO 3 4.304 4.681 -3.000 27 HD3 PRO 3 HD2 PRO 3 3.683 3.969 -1.447 28 H ILE 4 HN ILE 4 2.597 7.117 -3.841 29 HA ILE 4 HA ILE 4 1.615 9.632 -4.179 30 HB ILE 4 HB ILE 4 1.964 7.545 -6.381 31 HG12 ILE 4 HG11 ILE 4 4.008 9.435 -5.069 32 HG13 ILE 4 HG12 ILE 4 3.986 7.648 -4.893 33 HG21 ILE 4 HG21 ILE 4 0.765 9.675 -7.088 34 HG22 ILE 4 HG22 ILE 4 2.098 10.643 -6.362 35 HG23 ILE 4 HG23 ILE 4 2.401 9.585 -7.790 36 HD11 ILE 4 HD1 ILE 4 4.529 9.215 -7.493 37 HD12 ILE 4 HD2 ILE 4 5.685 8.234 -6.545 38 HD13 ILE 4 HD3 ILE 4 4.317 7.430 -7.411 39 H LEU 5 HN LEU 5 -0.013 6.721 -5.593 40 HA LEU 5 HA LEU 5 -2.272 8.191 -6.368 41 HB2 LEU 5 HB1 LEU 5 -3.277 6.113 -7.055 42 HB3 LEU 5 HB2 LEU 5 -1.560 6.189 -7.521 43 HG LEU 5 HG LEU 5 -1.220 4.820 -5.218 44 HD11 LEU 5 HD11 LEU 5 -4.045 3.969 -6.142 45 HD12 LEU 5 HD12 LEU 5 -3.666 4.771 -4.574 46 HD13 LEU 5 HD13 LEU 5 -3.028 3.123 -4.921 47 HD21 LEU 5 HD21 LEU 5 -2.181 3.579 -7.869 48 HD22 LEU 5 HD22 LEU 5 -1.240 2.737 -6.586 49 HD23 LEU 5 HD23 LEU 5 -0.497 4.105 -7.495 50 H ALA 6 HN ALA 6 -1.623 6.500 -3.279 51 HA ALA 6 HA ALA 6 -4.243 6.639 -2.274 52 HB1 ALA 6 HB1 ALA 6 -2.383 5.307 -1.245 53 HB2 ALA 6 HB2 ALA 6 -1.559 6.841 -0.782 54 HB3 ALA 6 HB3 ALA 6 -3.148 6.407 -0.047 55 H SER 7 HN SER 7 -1.628 9.085 -2.204 56 HA SER 7 HA SER 7 -3.097 11.057 -0.798 57 HB2 SER 7 HB1 SER 7 -0.622 11.164 -1.178 58 HB3 SER 7 HB2 SER 7 -0.915 11.504 -2.913 59 HG SER 7 HG1 SER 7 -0.545 13.357 -1.543 60 H LEU 8 HN LEU 8 -2.910 10.372 -4.322 61 HA LEU 8 HA LEU 8 -4.544 12.518 -5.156 62 HB2 LEU 8 HB1 LEU 8 -2.954 11.099 -6.567 63 HB3 LEU 8 HB2 LEU 8 -4.122 9.757 -6.439 64 HG LEU 8 HG LEU 8 -5.858 11.253 -7.589 65 HD11 LEU 8 HD11 LEU 8 -3.388 13.038 -8.104 66 HD12 LEU 8 HD12 LEU 8 -4.844 13.503 -7.136 67 HD13 LEU 8 HD13 LEU 8 -4.993 13.196 -8.902 68 HD21 LEU 8 HD21 LEU 8 -4.896 10.911 -9.847 69 HD22 LEU 8 HD22 LEU 8 -4.588 9.483 -8.798 70 HD23 LEU 8 HD23 LEU 8 -3.260 10.660 -9.135 71 H ALA 9 HN ALA 9 -5.350 9.117 -4.372 72 HA ALA 9 HA ALA 9 -7.994 9.063 -5.053 73 HB1 ALA 9 HB1 ALA 9 -8.087 7.039 -3.578 74 HB2 ALA 9 HB2 ALA 9 -6.573 7.066 -4.547 75 HB3 ALA 9 HB3 ALA 9 -6.526 7.547 -2.815 76 H ALA 10 HN ALA 10 -6.614 10.263 -1.989 77 HA ALA 10 HA ALA 10 -9.022 10.541 -0.604 78 HB1 ALA 10 HB1 ALA 10 -6.500 12.317 -0.533 79 HB2 ALA 10 HB2 ALA 10 -7.779 12.240 0.747 80 HB3 ALA 10 HB3 ALA 10 -6.747 10.801 0.402 81 H LYS 11 HN LYS 11 -7.698 12.663 -3.171 82 HA LYS 11 HA LYS 11 -9.748 14.680 -2.679 83 HB2 LYS 11 HB1 LYS 11 -7.613 14.521 -4.896 84 HB3 LYS 11 HB2 LYS 11 -8.789 15.840 -4.652 85 HG2 LYS 11 HG1 LYS 11 -6.940 16.784 -3.678 86 HG3 LYS 11 HG2 LYS 11 -7.766 16.100 -2.251 87 HD2 LYS 11 HD1 LYS 11 -6.243 14.038 -2.503 88 HD3 LYS 11 HD2 LYS 11 -5.392 14.892 -3.826 89 HE2 LYS 11 HE1 LYS 11 -4.670 16.681 -2.170 90 HE3 LYS 11 HE2 LYS 11 -5.589 15.818 -0.872 91 HZ1 LYS 11 HZ1 LYS 11 -3.117 14.975 -2.276 92 HZ2 LYS 11 HZ2 LYS 11 -4.164 13.817 -1.713 93 HZ3 LYS 11 HZ3 LYS 11 -3.490 14.918 -0.623 94 H PHE 12 HN PHE 12 -8.918 12.253 -5.211 95 HA PHE 12 HA PHE 12 -11.287 13.070 -6.713 96 HB2 PHE 12 HB1 PHE 12 -8.885 11.235 -7.297 97 HB3 PHE 12 HB2 PHE 12 -10.301 11.349 -8.410 98 HD1 PHE 12 HD1 PHE 12 -7.395 13.199 -7.044 99 HD2 PHE 12 HD2 PHE 12 -10.842 13.369 -9.597 100 HE1 PHE 12 HE1 PHE 12 -6.530 15.285 -8.078 101 HE2 PHE 12 HE2 PHE 12 -9.976 15.441 -10.635 102 HZ PHE 12 HZ PHE 12 -7.822 16.402 -9.878 103 H GLY 13 HN GLY 13 -10.800 10.848 -4.246 104 HA2 GLY 13 HA1 GLY 13 -13.120 9.252 -5.182 105 HA3 GLY 13 HA2 GLY 13 -11.773 8.661 -4.157 106 HA PRO 14 HA PRO 14 -13.995 11.341 -1.016 107 HB2 PRO 14 HB1 PRO 14 -16.215 12.923 -1.637 108 HB3 PRO 14 HB2 PRO 14 -14.519 13.489 -1.890 109 HG2 PRO 14 HG1 PRO 14 -16.349 12.198 -3.996 110 HG3 PRO 14 HG2 PRO 14 -15.421 13.751 -4.111 111 HD2 PRO 14 HD1 PRO 14 -14.368 11.416 -5.121 112 HD3 PRO 14 HD2 PRO 14 -13.321 12.611 -4.242 113 H LYS 15 HN LYS 15 -15.851 9.784 -3.458 114 HA LYS 15 HA LYS 15 -18.027 8.715 -2.080 115 HB2 LYS 15 HB1 LYS 15 -17.626 8.641 -4.547 116 HB3 LYS 15 HB2 LYS 15 -16.180 7.626 -4.296 117 HG2 LYS 15 HG1 LYS 15 -17.656 5.749 -3.469 118 HG3 LYS 15 HG2 LYS 15 -19.096 6.773 -3.775 119 HD2 LYS 15 HD1 LYS 15 -18.451 6.954 -6.193 120 HD3 LYS 15 HD2 LYS 15 -16.976 5.983 -5.878 121 HE2 LYS 15 HE1 LYS 15 -18.410 3.992 -5.265 122 HE3 LYS 15 HE2 LYS 15 -19.893 4.967 -5.614 123 HZ1 LYS 15 HZ1 LYS 15 -19.101 5.237 -7.892 124 HZ2 LYS 15 HZ2 LYS 15 -19.248 3.598 -7.496 125 HZ3 LYS 15 HZ3 LYS 15 -17.721 4.321 -7.561 126 H LEU 16 HN LEU 16 -14.630 7.459 -2.276 127 HA LEU 16 HA LEU 16 -15.217 5.225 -0.541 128 HB2 LEU 16 HB1 LEU 16 -12.566 6.447 -1.507 129 HB3 LEU 16 HB2 LEU 16 -12.714 4.918 -0.586 130 HG LEU 16 HG LEU 16 -13.897 5.424 -3.378 131 HD11 LEU 16 HD11 LEU 16 -12.071 3.918 -4.174 132 HD12 LEU 16 HD12 LEU 16 -11.412 3.822 -2.501 133 HD13 LEU 16 HD13 LEU 16 -11.402 5.395 -3.381 134 HD21 LEU 16 HD21 LEU 16 -13.694 2.844 -1.687 135 HD22 LEU 16 HD22 LEU 16 -14.206 2.918 -3.409 136 HD23 LEU 16 HD23 LEU 16 -15.217 3.700 -2.138 137 H PHE 17 HN PHE 17 -13.666 8.415 -0.267 138 HA PHE 17 HA PHE 17 -12.667 8.135 2.280 139 HB2 PHE 17 HB1 PHE 17 -12.272 9.919 0.342 140 HB3 PHE 17 HB2 PHE 17 -13.578 10.846 1.159 141 HD1 PHE 17 HD1 PHE 17 -12.772 12.442 2.681 142 HD2 PHE 17 HD2 PHE 17 -10.436 8.907 1.982 143 HE1 PHE 17 HE1 PHE 17 -10.966 13.343 4.129 144 HE2 PHE 17 HE2 PHE 17 -8.652 9.787 3.439 145 HZ PHE 17 HZ PHE 17 -8.919 11.998 4.538 146 HN2 ABA 18 HN AGL 18 -15.895 9.392 1.349 147 HA ABA 18 HA AGL 18 -16.825 9.978 3.967 148 HB3 ABA 18 HB2 AGL 18 -18.157 9.209 1.299 149 HB2 ABA 18 HB1 AGL 18 -17.930 10.835 1.949 150 HG3 ABA 18 HG AGL 18 -20.101 8.788 2.628 151 H LEU 19 HN LEU 19 -17.032 6.921 2.010 152 HA LEU 19 HA LEU 19 -18.613 5.633 3.983 153 HB2 LEU 19 HB1 LEU 19 -17.005 4.559 1.618 154 HB3 LEU 19 HB2 LEU 19 -18.121 3.550 2.604 155 HG LEU 19 HG LEU 19 -18.970 6.030 0.999 156 HD11 LEU 19 HD11 LEU 19 -19.296 3.030 0.357 157 HD12 LEU 19 HD12 LEU 19 -18.202 4.193 -0.489 158 HD13 LEU 19 HD13 LEU 19 -19.992 4.402 -0.586 159 HD21 LEU 19 HD21 LEU 19 -21.297 5.150 1.373 160 HD22 LEU 19 HD22 LEU 19 -20.502 5.607 2.920 161 HD23 LEU 19 HD23 LEU 19 -20.631 3.870 2.453 162 H VAL 20 HN VAL 20 -15.069 5.383 3.335 163 HA VAL 20 HA VAL 20 -14.736 3.227 5.086 164 HB VAL 20 HB VAL 20 -13.201 3.828 3.267 165 HG11 VAL 20 HG11 VAL 20 -12.056 5.958 5.196 166 HG12 VAL 20 HG12 VAL 20 -11.449 5.516 3.567 167 HG13 VAL 20 HG13 VAL 20 -13.046 6.330 3.734 168 HG21 VAL 20 HG21 VAL 20 -12.607 2.189 5.070 169 HG22 VAL 20 HG22 VAL 20 -11.160 3.082 4.475 170 HG23 VAL 20 HG23 VAL 20 -11.896 3.519 6.057 171 H THR 21 HN THR 21 -14.392 6.722 5.782 172 HA THR 21 HA THR 21 -13.847 6.087 8.593 173 HB THR 21 HB THR 21 -14.120 8.811 7.274 174 HG1 THR 21 HG1 THR 21 -11.819 7.225 7.642 175 HG21 THR 21 HG21 THR 21 -12.484 9.466 9.147 176 HG22 THR 21 HG22 THR 21 -12.638 7.809 9.828 177 HG23 THR 21 HG23 THR 21 -14.059 8.911 9.811 178 H LYS 22 HN LYS 22 -16.579 6.368 6.704 179 HA LYS 22 HA LYS 22 -18.728 6.482 7.024 180 HB2 LYS 22 HB1 LYS 22 -18.033 5.973 9.953 181 HB3 LYS 22 HB2 LYS 22 -19.623 5.666 9.205 182 HG2 LYS 22 HG1 LYS 22 -18.875 3.832 7.926 183 HG3 LYS 22 HG2 LYS 22 -17.149 4.247 8.055 184 HD2 LYS 22 HD1 LYS 22 -18.846 3.437 10.479 185 HD3 LYS 22 HD2 LYS 22 -17.920 2.270 9.469 186 HE2 LYS 22 HE1 LYS 22 -15.771 3.444 9.992 187 HE3 LYS 22 HE2 LYS 22 -16.653 4.665 10.987 188 HZ1 LYS 22 HZ1 LYS 22 -17.383 2.895 12.440 189 HZ2 LYS 22 HZ2 LYS 22 -15.693 2.934 12.339 190 HZ3 LYS 22 HZ3 LYS 22 -16.563 1.735 11.514 191 H LYS 23 HN LYS 23 -17.216 9.161 7.622 192 HA LYS 23 HA LYS 23 -19.160 10.314 9.528 193 HB2 LYS 23 HB1 LYS 23 -17.577 11.631 10.406 194 HB3 LYS 23 HB2 LYS 23 -16.607 10.208 9.954 195 HG2 LYS 23 HG1 LYS 23 -16.774 12.929 8.483 196 HG3 LYS 23 HG2 LYS 23 -15.469 12.353 9.556 197 HD2 LYS 23 HD1 LYS 23 -14.870 10.565 7.955 198 HD3 LYS 23 HD2 LYS 23 -16.243 10.997 6.886 199 HE2 LYS 23 HE1 LYS 23 -14.127 11.891 5.945 200 HE3 LYS 23 HE2 LYS 23 -15.249 13.232 6.415 201 HZ1 LYS 23 HZ1 LYS 23 -14.028 13.420 8.499 202 HZ2 LYS 23 HZ2 LYS 23 -13.020 13.685 7.160 203 HZ3 LYS 23 HZ3 LYS 23 -12.943 12.216 8.010 204 HN2 ABA 24 HN AGL 24 -19.183 10.304 6.255 205 HA ABA 24 HA AGL 24 -19.389 13.177 5.881 206 HB3 ABA 24 HB2 AGL 24 -18.412 11.911 4.062 207 HB2 ABA 24 HB1 AGL 24 -19.918 12.723 3.558 208 HG3 ABA 24 HG AGL 24 -21.123 10.371 4.067 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 -1.542 0.151 -3.516 2 HA PHE 1 HA PHE 1 0.126 -0.017 -1.619 3 HB2 PHE 1 HB1 PHE 1 -0.188 -1.598 -3.827 4 HB3 PHE 1 HB2 PHE 1 1.448 -0.976 -4.227 5 HD1 PHE 1 HD1 PHE 1 3.360 -1.643 -2.817 6 HD2 PHE 1 HD2 PHE 1 -0.621 -2.913 -1.836 7 HE1 PHE 1 HE1 PHE 1 4.284 -3.315 -1.237 8 HE2 PHE 1 HE2 PHE 1 0.295 -4.580 -0.252 9 HZ PHE 1 HZ PHE 1 2.749 -4.785 0.052 10 H LEU 2 HN LEU 2 0.394 2.419 -3.803 11 HA LEU 2 HA LEU 2 3.165 3.093 -3.027 12 HB2 LEU 2 HB1 LEU 2 1.688 3.937 -5.588 13 HB3 LEU 2 HB2 LEU 2 3.304 4.514 -5.064 14 HG LEU 2 HG LEU 2 3.885 1.900 -5.032 15 HD11 LEU 2 HD11 LEU 2 2.813 0.697 -6.951 16 HD12 LEU 2 HD12 LEU 2 1.663 2.061 -7.178 17 HD13 LEU 2 HD13 LEU 2 1.599 1.065 -5.677 18 HD21 LEU 2 HD21 LEU 2 4.753 2.151 -7.357 19 HD22 LEU 2 HD22 LEU 2 5.034 3.648 -6.392 20 HD23 LEU 2 HD23 LEU 2 3.699 3.587 -7.608 21 HA PRO 3 HA PRO 3 0.932 6.095 -0.792 22 HB2 PRO 3 HB1 PRO 3 2.886 8.026 -0.118 23 HB3 PRO 3 HB2 PRO 3 2.806 6.368 0.584 24 HG2 PRO 3 HG1 PRO 3 4.499 7.283 -1.806 25 HG3 PRO 3 HG2 PRO 3 5.040 6.359 -0.342 26 HD2 PRO 3 HD1 PRO 3 4.424 5.037 -2.666 27 HD3 PRO 3 HD2 PRO 3 3.855 4.364 -1.072 28 H ILE 4 HN ILE 4 2.638 7.364 -3.558 29 HA ILE 4 HA ILE 4 1.541 9.806 -4.027 30 HB ILE 4 HB ILE 4 1.970 7.655 -6.139 31 HG12 ILE 4 HG11 ILE 4 3.935 9.673 -4.886 32 HG13 ILE 4 HG12 ILE 4 3.980 7.895 -4.655 33 HG21 ILE 4 HG21 ILE 4 0.692 9.709 -6.925 34 HG22 ILE 4 HG22 ILE 4 1.988 10.758 -6.241 35 HG23 ILE 4 HG23 ILE 4 2.333 9.663 -7.625 36 HD11 ILE 4 HD1 ILE 4 4.475 9.395 -7.302 37 HD12 ILE 4 HD2 ILE 4 5.666 8.486 -6.314 38 HD13 ILE 4 HD3 ILE 4 4.336 7.604 -7.158 39 H LEU 5 HN LEU 5 -0.001 6.770 -5.279 40 HA LEU 5 HA LEU 5 -2.261 8.161 -6.182 41 HB2 LEU 5 HB1 LEU 5 -3.188 5.998 -6.786 42 HB3 LEU 5 HB2 LEU 5 -1.471 6.137 -7.235 43 HG LEU 5 HG LEU 5 -1.087 4.896 -4.871 44 HD11 LEU 5 HD11 LEU 5 -2.811 3.131 -4.492 45 HD12 LEU 5 HD12 LEU 5 -3.866 3.872 -5.749 46 HD13 LEU 5 HD13 LEU 5 -3.520 4.762 -4.220 47 HD21 LEU 5 HD21 LEU 5 -0.319 4.102 -7.107 48 HD22 LEU 5 HD22 LEU 5 -1.972 3.471 -7.455 49 HD23 LEU 5 HD23 LEU 5 -0.995 2.750 -6.125 50 H ALA 6 HN ALA 6 -1.611 6.801 -2.979 51 HA ALA 6 HA ALA 6 -4.279 6.808 -2.060 52 HB1 ALA 6 HB1 ALA 6 -2.384 5.699 -0.851 53 HB2 ALA 6 HB2 ALA 6 -1.662 7.314 -0.514 54 HB3 ALA 6 HB3 ALA 6 -3.250 6.864 0.211 55 H SER 7 HN SER 7 -1.826 9.396 -2.201 56 HA SER 7 HA SER 7 -3.385 11.415 -0.962 57 HB2 SER 7 HB1 SER 7 -1.155 11.733 -3.062 58 HB3 SER 7 HB2 SER 7 -1.847 13.050 -2.051 59 HG SER 7 HG1 SER 7 -0.370 10.780 -1.183 60 H LEU 8 HN LEU 8 -3.060 10.442 -4.388 61 HA LEU 8 HA LEU 8 -4.784 12.383 -5.478 62 HB2 LEU 8 HB1 LEU 8 -3.091 10.888 -6.693 63 HB3 LEU 8 HB2 LEU 8 -4.220 9.524 -6.458 64 HG LEU 8 HG LEU 8 -5.964 10.863 -7.790 65 HD11 LEU 8 HD11 LEU 8 -4.965 13.163 -7.548 66 HD12 LEU 8 HD12 LEU 8 -5.109 12.681 -9.276 67 HD13 LEU 8 HD13 LEU 8 -3.506 12.616 -8.463 68 HD21 LEU 8 HD21 LEU 8 -3.321 10.153 -9.210 69 HD22 LEU 8 HD22 LEU 8 -4.939 10.302 -9.984 70 HD23 LEU 8 HD23 LEU 8 -4.639 8.996 -8.780 71 H ALA 9 HN ALA 9 -5.454 9.035 -4.340 72 HA ALA 9 HA ALA 9 -8.164 8.931 -4.864 73 HB1 ALA 9 HB1 ALA 9 -6.559 7.622 -2.584 74 HB2 ALA 9 HB2 ALA 9 -8.169 7.069 -3.187 75 HB3 ALA 9 HB3 ALA 9 -6.720 6.973 -4.253 76 H ALA 10 HN ALA 10 -6.482 10.404 -2.077 77 HA ALA 10 HA ALA 10 -8.954 11.016 -0.731 78 HB1 ALA 10 HB1 ALA 10 -6.793 10.563 0.460 79 HB2 ALA 10 HB2 ALA 10 -6.079 12.024 -0.300 80 HB3 ALA 10 HB3 ALA 10 -7.450 12.187 0.874 81 H LYS 11 HN LYS 11 -8.053 12.228 -3.596 82 HA LYS 11 HA LYS 11 -9.536 14.727 -2.996 83 HB2 LYS 11 HB1 LYS 11 -7.261 14.264 -5.013 84 HB3 LYS 11 HB2 LYS 11 -8.542 15.465 -5.338 85 HG2 LYS 11 HG1 LYS 11 -6.817 16.751 -4.445 86 HG3 LYS 11 HG2 LYS 11 -8.047 16.605 -3.164 87 HD2 LYS 11 HD1 LYS 11 -6.323 14.437 -2.591 88 HD3 LYS 11 HD2 LYS 11 -5.194 15.562 -3.356 89 HE2 LYS 11 HE1 LYS 11 -5.189 15.790 -0.873 90 HE3 LYS 11 HE2 LYS 11 -5.787 17.326 -1.625 91 HZ1 LYS 11 HZ1 LYS 11 -7.618 15.158 -0.740 92 HZ2 LYS 11 HZ2 LYS 11 -7.994 16.743 -1.111 93 HZ3 LYS 11 HZ3 LYS 11 -7.118 16.392 0.308 94 H PHE 12 HN PHE 12 -8.873 12.171 -5.488 95 HA PHE 12 HA PHE 12 -11.370 12.928 -6.789 96 HB2 PHE 12 HB1 PHE 12 -9.022 11.086 -7.550 97 HB3 PHE 12 HB2 PHE 12 -10.501 11.274 -8.568 98 HD1 PHE 12 HD1 PHE 12 -7.411 12.921 -7.419 99 HD2 PHE 12 HD2 PHE 12 -11.091 13.415 -9.575 100 HE1 PHE 12 HE1 PHE 12 -6.529 15.000 -8.451 101 HE2 PHE 12 HE2 PHE 12 -10.211 15.485 -10.608 102 HZ PHE 12 HZ PHE 12 -7.932 16.280 -10.048 103 H GLY 13 HN GLY 13 -10.671 10.736 -4.329 104 HA2 GLY 13 HA1 GLY 13 -12.897 8.970 -5.173 105 HA3 GLY 13 HA2 GLY 13 -11.561 8.575 -4.053 106 HA PRO 14 HA PRO 14 -14.019 11.185 -1.095 107 HB2 PRO 14 HB1 PRO 14 -16.252 12.715 -1.794 108 HB3 PRO 14 HB2 PRO 14 -14.562 13.317 -1.987 109 HG2 PRO 14 HG1 PRO 14 -16.295 11.978 -4.142 110 HG3 PRO 14 HG2 PRO 14 -15.397 13.548 -4.247 111 HD2 PRO 14 HD1 PRO 14 -14.282 11.219 -5.203 112 HD3 PRO 14 HD2 PRO 14 -13.268 12.440 -4.316 113 H LYS 15 HN LYS 15 -15.813 9.566 -3.577 114 HA LYS 15 HA LYS 15 -18.011 8.556 -2.170 115 HB2 LYS 15 HB1 LYS 15 -17.570 8.447 -4.662 116 HB3 LYS 15 HB2 LYS 15 -16.241 7.287 -4.358 117 HG2 LYS 15 HG1 LYS 15 -18.010 5.699 -3.340 118 HG3 LYS 15 HG2 LYS 15 -19.262 6.816 -3.947 119 HD2 LYS 15 HD1 LYS 15 -17.108 5.349 -5.614 120 HD3 LYS 15 HD2 LYS 15 -18.815 4.834 -5.432 121 HE2 LYS 15 HE1 LYS 15 -19.594 6.921 -6.609 122 HE3 LYS 15 HE2 LYS 15 -17.878 7.455 -6.807 123 HZ1 LYS 15 HZ1 LYS 15 -18.712 6.366 -8.782 124 HZ2 LYS 15 HZ2 LYS 15 -19.064 4.953 -7.923 125 HZ3 LYS 15 HZ3 LYS 15 -17.460 5.458 -8.103 126 H LEU 16 HN LEU 16 -14.659 7.196 -2.443 127 HA LEU 16 HA LEU 16 -15.237 4.989 -0.687 128 HB2 LEU 16 HB1 LEU 16 -12.589 6.209 -1.674 129 HB3 LEU 16 HB2 LEU 16 -12.731 4.674 -0.762 130 HG LEU 16 HG LEU 16 -13.947 5.190 -3.541 131 HD11 LEU 16 HD11 LEU 16 -12.122 3.697 -4.363 132 HD12 LEU 16 HD12 LEU 16 -11.442 3.599 -2.700 133 HD13 LEU 16 HD13 LEU 16 -11.448 5.174 -3.576 134 HD21 LEU 16 HD21 LEU 16 -14.246 2.685 -3.575 135 HD22 LEU 16 HD22 LEU 16 -15.241 3.456 -2.287 136 HD23 LEU 16 HD23 LEU 16 -13.707 2.608 -1.862 137 H PHE 17 HN PHE 17 -13.677 8.175 -0.404 138 HA PHE 17 HA PHE 17 -12.641 7.880 2.130 139 HB2 PHE 17 HB1 PHE 17 -12.279 9.704 0.259 140 HB3 PHE 17 HB2 PHE 17 -13.662 10.567 1.015 141 HD1 PHE 17 HD1 PHE 17 -13.389 11.541 3.271 142 HD2 PHE 17 HD2 PHE 17 -10.181 9.375 1.406 143 HE1 PHE 17 HE1 PHE 17 -11.801 12.447 4.946 144 HE2 PHE 17 HE2 PHE 17 -8.594 10.284 3.077 145 HZ PHE 17 HZ PHE 17 -9.404 11.819 4.849 146 HN2 ABA 18 HN AGL 18 -15.895 9.203 1.240 147 HA ABA 18 HA AGL 18 -16.715 9.687 3.886 148 HB3 ABA 18 HB2 AGL 18 -18.293 9.045 1.331 149 HB2 ABA 18 HB1 AGL 18 -17.827 10.659 1.894 150 HG3 ABA 18 HG AGL 18 -20.144 8.926 2.845 151 H LEU 19 HN LEU 19 -17.091 6.695 1.864 152 HA LEU 19 HA LEU 19 -18.654 5.366 3.791 153 HB2 LEU 19 HB1 LEU 19 -16.931 4.323 1.488 154 HB3 LEU 19 HB2 LEU 19 -18.028 3.281 2.453 155 HG LEU 19 HG LEU 19 -18.951 5.720 0.830 156 HD11 LEU 19 HD11 LEU 19 -19.096 2.714 0.156 157 HD12 LEU 19 HD12 LEU 19 -18.043 3.941 -0.649 158 HD13 LEU 19 HD13 LEU 19 -19.838 4.054 -0.798 159 HD21 LEU 19 HD21 LEU 19 -20.514 5.201 2.702 160 HD22 LEU 19 HD22 LEU 19 -20.538 3.463 2.217 161 HD23 LEU 19 HD23 LEU 19 -21.238 4.716 1.129 162 H VAL 20 HN VAL 20 -15.059 5.170 3.276 163 HA VAL 20 HA VAL 20 -14.798 3.279 5.374 164 HB VAL 20 HB VAL 20 -13.154 3.548 3.585 165 HG11 VAL 20 HG11 VAL 20 -11.427 5.289 3.677 166 HG12 VAL 20 HG12 VAL 20 -13.035 6.086 3.544 167 HG13 VAL 20 HG13 VAL 20 -12.164 6.043 5.127 168 HG21 VAL 20 HG21 VAL 20 -12.669 2.309 5.714 169 HG22 VAL 20 HG22 VAL 20 -11.196 3.098 5.045 170 HG23 VAL 20 HG23 VAL 20 -12.034 3.826 6.458 171 H THR 21 HN THR 21 -14.514 6.845 5.397 172 HA THR 21 HA THR 21 -13.802 7.022 8.112 173 HB THR 21 HB THR 21 -15.257 9.260 6.662 174 HG1 THR 21 HG1 THR 21 -13.576 8.787 5.354 175 HG21 THR 21 HG21 THR 21 -12.976 9.160 8.769 176 HG22 THR 21 HG22 THR 21 -14.692 9.420 9.219 177 HG23 THR 21 HG23 THR 21 -13.825 10.629 8.187 178 H LYS 22 HN LYS 22 -16.980 6.930 6.533 179 HA LYS 22 HA LYS 22 -19.050 6.885 7.158 180 HB2 LYS 22 HB1 LYS 22 -18.141 6.041 9.938 181 HB3 LYS 22 HB2 LYS 22 -19.745 5.743 9.221 182 HG2 LYS 22 HG1 LYS 22 -18.942 4.090 7.704 183 HG3 LYS 22 HG2 LYS 22 -17.248 4.578 7.839 184 HD2 LYS 22 HD1 LYS 22 -18.888 3.112 9.979 185 HD3 LYS 22 HD2 LYS 22 -17.575 2.463 8.959 186 HE2 LYS 22 HE1 LYS 22 -17.363 4.394 11.345 187 HE3 LYS 22 HE2 LYS 22 -16.574 2.791 11.103 188 HZ1 LYS 22 HZ1 LYS 22 -15.424 4.018 9.123 189 HZ2 LYS 22 HZ2 LYS 22 -14.908 4.346 10.705 190 HZ3 LYS 22 HZ3 LYS 22 -15.932 5.409 9.889 191 H LYS 23 HN LYS 23 -17.344 9.342 7.886 192 HA LYS 23 HA LYS 23 -19.256 10.652 9.746 193 HB2 LYS 23 HB1 LYS 23 -17.161 10.263 10.811 194 HB3 LYS 23 HB2 LYS 23 -16.227 10.768 9.379 195 HG2 LYS 23 HG1 LYS 23 -17.951 12.873 10.691 196 HG3 LYS 23 HG2 LYS 23 -16.519 12.297 11.607 197 HD2 LYS 23 HD1 LYS 23 -14.951 13.009 9.956 198 HD3 LYS 23 HD2 LYS 23 -16.175 13.002 8.663 199 HE2 LYS 23 HE1 LYS 23 -15.514 15.325 9.182 200 HE3 LYS 23 HE2 LYS 23 -17.269 15.032 9.497 201 HZ1 LYS 23 HZ1 LYS 23 -15.112 15.014 11.559 202 HZ2 LYS 23 HZ2 LYS 23 -16.768 14.769 11.823 203 HZ3 LYS 23 HZ3 LYS 23 -16.214 16.275 11.277 204 HN2 ABA 24 HN AGL 24 -18.936 10.472 6.507 205 HA ABA 24 HA AGL 24 -18.542 13.253 5.897 206 HB3 ABA 24 HB2 AGL 24 -17.854 11.648 4.251 207 HB2 ABA 24 HB1 AGL 24 -19.117 12.718 3.592 208 HG3 ABA 24 HG AGL 24 -20.768 10.616 4.399 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 2.255 -1.395 -2.224 2 HA PHE 1 HA PHE 1 0.553 -0.536 -4.227 3 HB2 PHE 1 HB1 PHE 1 -1.008 0.988 -2.934 4 HB3 PHE 1 HB2 PHE 1 -1.293 -0.759 -2.639 5 HD1 PHE 1 HD1 PHE 1 -0.729 -1.798 -0.523 6 HD2 PHE 1 HD2 PHE 1 -0.065 2.398 -1.142 7 HE1 PHE 1 HE1 PHE 1 -0.469 -1.483 1.920 8 HE2 PHE 1 HE2 PHE 1 0.204 2.715 1.303 9 HZ PHE 1 HZ PHE 1 0.007 0.772 2.834 10 H LEU 2 HN LEU 2 0.454 2.120 -4.070 11 HA LEU 2 HA LEU 2 3.231 2.887 -3.462 12 HB2 LEU 2 HB1 LEU 2 1.531 3.852 -5.829 13 HB3 LEU 2 HB2 LEU 2 3.169 4.429 -5.379 14 HG LEU 2 HG LEU 2 3.764 1.802 -5.599 15 HD11 LEU 2 HD11 LEU 2 1.480 2.193 -7.648 16 HD12 LEU 2 HD12 LEU 2 1.442 1.054 -6.249 17 HD13 LEU 2 HD13 LEU 2 2.620 0.805 -7.583 18 HD21 LEU 2 HD21 LEU 2 3.490 3.749 -7.976 19 HD22 LEU 2 HD22 LEU 2 4.548 2.297 -7.913 20 HD23 LEU 2 HD23 LEU 2 4.870 3.686 -6.810 21 HA PRO 3 HA PRO 3 1.030 5.726 -0.946 22 HB2 PRO 3 HB1 PRO 3 3.002 7.577 -0.193 23 HB3 PRO 3 HB2 PRO 3 2.996 5.858 0.343 24 HG2 PRO 3 HG1 PRO 3 4.526 7.038 -2.045 25 HG3 PRO 3 HG2 PRO 3 5.176 6.010 -0.699 26 HD2 PRO 3 HD1 PRO 3 4.437 4.879 -3.098 27 HD3 PRO 3 HD2 PRO 3 4.024 4.047 -1.532 28 H ILE 4 HN ILE 4 2.720 7.170 -3.665 29 HA ILE 4 HA ILE 4 1.702 9.651 -3.925 30 HB ILE 4 HB ILE 4 1.931 7.681 -6.231 31 HG12 ILE 4 HG11 ILE 4 4.016 7.486 -4.988 32 HG13 ILE 4 HG12 ILE 4 4.261 8.445 -6.469 33 HG21 ILE 4 HG21 ILE 4 2.517 9.793 -7.498 34 HG22 ILE 4 HG22 ILE 4 0.846 9.843 -6.847 35 HG23 ILE 4 HG23 ILE 4 2.158 10.763 -6.025 36 HD11 ILE 4 HD1 ILE 4 5.533 9.445 -4.598 37 HD12 ILE 4 HD2 ILE 4 4.245 10.580 -5.120 38 HD13 ILE 4 HD3 ILE 4 4.043 9.619 -3.608 39 H LEU 5 HN LEU 5 0.015 6.806 -5.365 40 HA LEU 5 HA LEU 5 -2.205 8.306 -6.174 41 HB2 LEU 5 HB1 LEU 5 -3.171 6.111 -6.825 42 HB3 LEU 5 HB2 LEU 5 -1.498 6.338 -7.376 43 HG LEU 5 HG LEU 5 -0.843 4.987 -5.178 44 HD11 LEU 5 HD11 LEU 5 -3.129 4.792 -4.162 45 HD12 LEU 5 HD12 LEU 5 -2.491 3.182 -4.637 46 HD13 LEU 5 HD13 LEU 5 -3.727 3.993 -5.665 47 HD21 LEU 5 HD21 LEU 5 -2.083 3.629 -7.649 48 HD22 LEU 5 HD22 LEU 5 -0.945 2.874 -6.477 49 HD23 LEU 5 HD23 LEU 5 -0.393 4.244 -7.509 50 H ALA 6 HN ALA 6 -1.467 7.229 -2.986 51 HA ALA 6 HA ALA 6 -4.170 6.784 -2.159 52 HB1 ALA 6 HB1 ALA 6 -1.657 7.449 -0.504 53 HB2 ALA 6 HB2 ALA 6 -3.245 6.900 0.153 54 HB3 ALA 6 HB3 ALA 6 -2.282 5.808 -0.899 55 H SER 7 HN SER 7 -1.994 9.625 -2.232 56 HA SER 7 HA SER 7 -3.922 11.407 -1.101 57 HB2 SER 7 HB1 SER 7 -1.464 11.925 -1.184 58 HB3 SER 7 HB2 SER 7 -1.609 12.179 -2.953 59 HG SER 7 HG1 SER 7 -1.779 14.095 -1.654 60 H LEU 8 HN LEU 8 -3.186 10.479 -4.502 61 HA LEU 8 HA LEU 8 -4.991 12.252 -5.712 62 HB2 LEU 8 HB1 LEU 8 -3.157 10.785 -6.797 63 HB3 LEU 8 HB2 LEU 8 -4.285 9.408 -6.630 64 HG LEU 8 HG LEU 8 -5.962 10.733 -8.057 65 HD11 LEU 8 HD11 LEU 8 -4.994 13.048 -7.745 66 HD12 LEU 8 HD12 LEU 8 -5.062 12.572 -9.477 67 HD13 LEU 8 HD13 LEU 8 -3.494 12.517 -8.600 68 HD21 LEU 8 HD21 LEU 8 -4.539 8.887 -8.961 69 HD22 LEU 8 HD22 LEU 8 -3.224 10.073 -9.314 70 HD23 LEU 8 HD23 LEU 8 -4.796 10.184 -10.184 71 H ALA 9 HN ALA 9 -5.528 8.837 -4.619 72 HA ALA 9 HA ALA 9 -8.241 8.699 -5.160 73 HB1 ALA 9 HB1 ALA 9 -6.573 7.345 -2.950 74 HB2 ALA 9 HB2 ALA 9 -8.181 6.774 -3.548 75 HB3 ALA 9 HB3 ALA 9 -6.747 6.757 -4.637 76 H ALA 10 HN ALA 10 -6.614 9.885 -2.158 77 HA ALA 10 HA ALA 10 -9.049 10.437 -0.827 78 HB1 ALA 10 HB1 ALA 10 -6.885 10.079 0.340 79 HB2 ALA 10 HB2 ALA 10 -6.219 11.570 -0.407 80 HB3 ALA 10 HB3 ALA 10 -7.586 11.677 0.778 81 H LYS 11 HN LYS 11 -7.653 12.093 -3.484 82 HA LYS 11 HA LYS 11 -9.082 14.593 -2.845 83 HB2 LYS 11 HB1 LYS 11 -6.611 14.030 -4.189 84 HB3 LYS 11 HB2 LYS 11 -7.734 14.458 -5.485 85 HG2 LYS 11 HG1 LYS 11 -6.628 16.484 -4.814 86 HG3 LYS 11 HG2 LYS 11 -8.338 16.576 -4.325 87 HD2 LYS 11 HD1 LYS 11 -7.033 17.545 -2.600 88 HD3 LYS 11 HD2 LYS 11 -7.677 16.035 -1.923 89 HE2 LYS 11 HE1 LYS 11 -4.826 16.216 -3.145 90 HE3 LYS 11 HE2 LYS 11 -5.167 16.762 -1.457 91 HZ1 LYS 11 HZ1 LYS 11 -4.391 14.463 -1.564 92 HZ2 LYS 11 HZ2 LYS 11 -5.688 14.016 -2.496 93 HZ3 LYS 11 HZ3 LYS 11 -5.969 14.562 -0.930 94 H PHE 12 HN PHE 12 -8.914 12.140 -5.510 95 HA PHE 12 HA PHE 12 -11.362 13.294 -6.620 96 HB2 PHE 12 HB1 PHE 12 -9.273 11.284 -7.673 97 HB3 PHE 12 HB2 PHE 12 -10.771 11.719 -8.581 98 HD1 PHE 12 HD1 PHE 12 -7.422 12.826 -7.651 99 HD2 PHE 12 HD2 PHE 12 -11.203 14.057 -9.267 100 HE1 PHE 12 HE1 PHE 12 -6.360 14.875 -8.585 101 HE2 PHE 12 HE2 PHE 12 -10.147 16.092 -10.200 102 HZ PHE 12 HZ PHE 12 -7.729 16.505 -9.854 103 H GLY 13 HN GLY 13 -10.757 10.848 -4.402 104 HA2 GLY 13 HA1 GLY 13 -13.186 9.368 -5.239 105 HA3 GLY 13 HA2 GLY 13 -11.828 8.757 -4.245 106 HA PRO 14 HA PRO 14 -13.961 11.402 -1.031 107 HB2 PRO 14 HB1 PRO 14 -16.200 12.993 -1.567 108 HB3 PRO 14 HB2 PRO 14 -14.510 13.562 -1.847 109 HG2 PRO 14 HG1 PRO 14 -16.391 12.300 -3.923 110 HG3 PRO 14 HG2 PRO 14 -15.473 13.857 -4.049 111 HD2 PRO 14 HD1 PRO 14 -14.453 11.540 -5.116 112 HD3 PRO 14 HD2 PRO 14 -13.367 12.711 -4.247 113 H LYS 15 HN LYS 15 -15.843 9.793 -3.418 114 HA LYS 15 HA LYS 15 -18.015 8.783 -1.988 115 HB2 LYS 15 HB1 LYS 15 -17.552 8.599 -4.475 116 HB3 LYS 15 HB2 LYS 15 -16.205 7.475 -4.121 117 HG2 LYS 15 HG1 LYS 15 -17.951 5.884 -3.074 118 HG3 LYS 15 HG2 LYS 15 -19.221 6.957 -3.724 119 HD2 LYS 15 HD1 LYS 15 -17.024 5.484 -5.330 120 HD3 LYS 15 HD2 LYS 15 -18.722 4.942 -5.146 121 HE2 LYS 15 HE1 LYS 15 -19.531 6.978 -6.392 122 HE3 LYS 15 HE2 LYS 15 -17.822 7.534 -6.596 123 HZ1 LYS 15 HZ1 LYS 15 -18.623 6.371 -8.541 124 HZ2 LYS 15 HZ2 LYS 15 -18.961 4.980 -7.641 125 HZ3 LYS 15 HZ3 LYS 15 -17.363 5.503 -7.826 126 H LEU 16 HN LEU 16 -14.630 7.488 -2.189 127 HA LEU 16 HA LEU 16 -15.195 5.330 -0.365 128 HB2 LEU 16 HB1 LEU 16 -12.551 6.526 -1.382 129 HB3 LEU 16 HB2 LEU 16 -12.696 5.019 -0.424 130 HG LEU 16 HG LEU 16 -13.887 5.457 -3.226 131 HD11 LEU 16 HD11 LEU 16 -11.389 5.410 -3.231 132 HD12 LEU 16 HD12 LEU 16 -12.074 3.920 -3.984 133 HD13 LEU 16 HD13 LEU 16 -11.414 3.860 -2.311 134 HD21 LEU 16 HD21 LEU 16 -13.701 2.922 -1.470 135 HD22 LEU 16 HD22 LEU 16 -14.213 2.956 -3.193 136 HD23 LEU 16 HD23 LEU 16 -15.219 3.775 -1.943 137 H PHE 17 HN PHE 17 -13.673 8.546 -0.161 138 HA PHE 17 HA PHE 17 -12.683 8.293 2.412 139 HB2 PHE 17 HB1 PHE 17 -12.136 10.036 0.553 140 HB3 PHE 17 HB2 PHE 17 -13.589 10.938 1.107 141 HD1 PHE 17 HD1 PHE 17 -13.022 12.728 2.497 142 HD2 PHE 17 HD2 PHE 17 -10.582 9.194 2.647 143 HE1 PHE 17 HE1 PHE 17 -11.523 13.828 4.136 144 HE2 PHE 17 HE2 PHE 17 -9.102 10.282 4.296 145 HZ PHE 17 HZ PHE 17 -9.561 12.603 5.039 146 HN2 ABA 18 HN AGL 18 -15.907 9.520 1.411 147 HA ABA 18 HA AGL 18 -16.868 10.116 4.000 148 HB3 ABA 18 HB2 AGL 18 -18.122 9.299 1.327 149 HB2 ABA 18 HB1 AGL 18 -17.998 10.933 2.001 150 HG3 ABA 18 HG AGL 18 -20.054 8.745 2.619 151 H LEU 19 HN LEU 19 -17.153 7.043 2.071 152 HA LEU 19 HA LEU 19 -18.637 5.751 4.070 153 HB2 LEU 19 HB1 LEU 19 -17.027 4.662 1.703 154 HB3 LEU 19 HB2 LEU 19 -18.141 3.663 2.695 155 HG LEU 19 HG LEU 19 -19.000 6.143 1.095 156 HD11 LEU 19 HD11 LEU 19 -19.998 4.519 -0.509 157 HD12 LEU 19 HD12 LEU 19 -19.290 3.147 0.425 158 HD13 LEU 19 HD13 LEU 19 -18.207 4.329 -0.405 159 HD21 LEU 19 HD21 LEU 19 -20.649 3.956 2.523 160 HD22 LEU 19 HD22 LEU 19 -21.320 5.245 1.459 161 HD23 LEU 19 HD23 LEU 19 -20.531 5.687 3.013 162 H VAL 20 HN VAL 20 -15.090 5.489 3.395 163 HA VAL 20 HA VAL 20 -14.772 3.366 5.185 164 HB VAL 20 HB VAL 20 -13.262 3.926 3.319 165 HG11 VAL 20 HG11 VAL 20 -11.427 5.518 3.638 166 HG12 VAL 20 HG12 VAL 20 -12.983 6.407 3.839 167 HG13 VAL 20 HG13 VAL 20 -11.998 5.951 5.286 168 HG21 VAL 20 HG21 VAL 20 -11.248 3.056 4.497 169 HG22 VAL 20 HG22 VAL 20 -11.962 3.484 6.092 170 HG23 VAL 20 HG23 VAL 20 -12.735 2.220 5.069 171 H THR 21 HN THR 21 -14.493 6.879 5.850 172 HA THR 21 HA THR 21 -13.890 6.236 8.665 173 HB THR 21 HB THR 21 -14.540 9.065 7.919 174 HG1 THR 21 HG1 THR 21 -12.130 7.793 7.197 175 HG21 THR 21 HG21 THR 21 -12.420 7.696 9.711 176 HG22 THR 21 HG22 THR 21 -13.887 8.595 10.231 177 HG23 THR 21 HG23 THR 21 -12.541 9.475 9.445 178 H LYS 22 HN LYS 22 -16.655 6.235 6.822 179 HA LYS 22 HA LYS 22 -18.800 6.412 7.143 180 HB2 LYS 22 HB1 LYS 22 -18.062 6.058 10.075 181 HB3 LYS 22 HB2 LYS 22 -19.678 5.731 9.382 182 HG2 LYS 22 HG1 LYS 22 -18.904 3.867 8.083 183 HG3 LYS 22 HG2 LYS 22 -17.180 4.250 8.318 184 HD2 LYS 22 HD1 LYS 22 -19.043 3.475 10.629 185 HD3 LYS 22 HD2 LYS 22 -18.065 2.301 9.680 186 HE2 LYS 22 HE1 LYS 22 -15.944 3.452 10.344 187 HE3 LYS 22 HE2 LYS 22 -16.877 4.669 11.298 188 HZ1 LYS 22 HZ1 LYS 22 -17.713 2.882 12.675 189 HZ2 LYS 22 HZ2 LYS 22 -16.020 2.902 12.683 190 HZ3 LYS 22 HZ3 LYS 22 -16.849 1.728 11.783 191 H LYS 23 HN LYS 23 -17.351 9.073 7.382 192 HA LYS 23 HA LYS 23 -18.959 10.416 9.449 193 HB2 LYS 23 HB1 LYS 23 -17.163 11.729 9.952 194 HB3 LYS 23 HB2 LYS 23 -16.407 10.177 9.538 195 HG2 LYS 23 HG1 LYS 23 -16.390 12.856 8.058 196 HG3 LYS 23 HG2 LYS 23 -15.022 11.898 8.673 197 HD2 LYS 23 HD1 LYS 23 -15.832 10.147 6.714 198 HD3 LYS 23 HD2 LYS 23 -16.669 11.603 6.125 199 HE2 LYS 23 HE1 LYS 23 -14.587 11.494 4.920 200 HE3 LYS 23 HE2 LYS 23 -14.439 12.856 6.106 201 HZ1 LYS 23 HZ1 LYS 23 -13.302 10.104 6.400 202 HZ2 LYS 23 HZ2 LYS 23 -13.238 11.294 7.570 203 HZ3 LYS 23 HZ3 LYS 23 -12.453 11.512 6.076 204 HN2 ABA 24 HN AGL 24 -19.500 10.255 6.232 205 HA ABA 24 HA AGL 24 -19.702 13.155 5.834 206 HB3 ABA 24 HB2 AGL 24 -18.703 12.039 3.991 207 HB2 ABA 24 HB1 AGL 24 -20.287 12.712 3.511 208 HG3 ABA 24 HG AGL 24 -21.258 10.252 3.963 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 -0.940 -0.348 -3.310 2 HA PHE 1 HA PHE 1 -0.495 0.807 -0.834 3 HB2 PHE 1 HB1 PHE 1 1.437 -0.806 -0.612 4 HB3 PHE 1 HB2 PHE 1 -0.080 -1.585 -1.177 5 HD1 PHE 1 HD1 PHE 1 -0.260 -2.514 -3.417 6 HD2 PHE 1 HD2 PHE 1 3.311 -0.477 -2.173 7 HE1 PHE 1 HE1 PHE 1 0.939 -3.417 -5.385 8 HE2 PHE 1 HE2 PHE 1 4.517 -1.394 -4.137 9 HZ PHE 1 HZ PHE 1 3.327 -2.860 -5.747 10 H LEU 2 HN LEU 2 0.368 2.061 -3.730 11 HA LEU 2 HA LEU 2 2.925 3.157 -2.913 12 HB2 LEU 2 HB1 LEU 2 1.285 3.681 -5.446 13 HB3 LEU 2 HB2 LEU 2 2.884 4.398 -5.073 14 HG LEU 2 HG LEU 2 3.716 1.916 -4.829 15 HD11 LEU 2 HD11 LEU 2 1.229 1.497 -6.620 16 HD12 LEU 2 HD12 LEU 2 1.546 0.697 -5.030 17 HD13 LEU 2 HD13 LEU 2 2.592 0.339 -6.439 18 HD21 LEU 2 HD21 LEU 2 4.269 1.886 -7.257 19 HD22 LEU 2 HD22 LEU 2 4.462 3.542 -6.572 20 HD23 LEU 2 HD23 LEU 2 3.014 3.135 -7.574 21 HA PRO 3 HA PRO 3 0.627 6.286 -0.846 22 HB2 PRO 3 HB1 PRO 3 2.618 8.209 -0.206 23 HB3 PRO 3 HB2 PRO 3 2.400 6.624 0.623 24 HG2 PRO 3 HG1 PRO 3 4.305 7.254 -1.696 25 HG3 PRO 3 HG2 PRO 3 4.679 6.409 -0.135 26 HD2 PRO 3 HD1 PRO 3 4.163 4.956 -2.398 27 HD3 PRO 3 HD2 PRO 3 3.416 4.436 -0.819 28 H ILE 4 HN ILE 4 2.465 7.303 -3.616 29 HA ILE 4 HA ILE 4 1.379 9.695 -4.366 30 HB ILE 4 HB ILE 4 1.867 7.321 -6.211 31 HG12 ILE 4 HG11 ILE 4 3.821 9.461 -5.165 32 HG13 ILE 4 HG12 ILE 4 3.842 7.730 -4.700 33 HG21 ILE 4 HG21 ILE 4 2.278 9.152 -7.900 34 HG22 ILE 4 HG22 ILE 4 0.622 9.286 -7.247 35 HG23 ILE 4 HG23 ILE 4 1.912 10.393 -6.651 36 HD11 ILE 4 HD1 ILE 4 4.397 8.853 -7.515 37 HD12 ILE 4 HD2 ILE 4 5.562 8.074 -6.393 38 HD13 ILE 4 HD3 ILE 4 4.233 7.101 -7.132 39 H LEU 5 HN LEU 5 -0.089 6.516 -5.354 40 HA LEU 5 HA LEU 5 -2.395 7.792 -6.337 41 HB2 LEU 5 HB1 LEU 5 -3.277 5.645 -6.872 42 HB3 LEU 5 HB2 LEU 5 -1.542 5.708 -7.262 43 HG LEU 5 HG LEU 5 -1.290 4.544 -4.840 44 HD11 LEU 5 HD11 LEU 5 -3.757 4.544 -4.274 45 HD12 LEU 5 HD12 LEU 5 -3.110 2.875 -4.454 46 HD13 LEU 5 HD13 LEU 5 -4.083 3.608 -5.779 47 HD21 LEU 5 HD21 LEU 5 -1.272 2.345 -6.010 48 HD22 LEU 5 HD22 LEU 5 -0.499 3.623 -7.023 49 HD23 LEU 5 HD23 LEU 5 -2.171 3.063 -7.395 50 H ALA 6 HN ALA 6 -1.696 6.420 -3.126 51 HA ALA 6 HA ALA 6 -4.314 6.575 -2.121 52 HB1 ALA 6 HB1 ALA 6 -3.203 6.591 0.116 53 HB2 ALA 6 HB2 ALA 6 -2.410 5.402 -0.978 54 HB3 ALA 6 HB3 ALA 6 -1.629 6.995 -0.666 55 H SER 7 HN SER 7 -1.753 9.068 -2.248 56 HA SER 7 HA SER 7 -3.178 11.142 -0.995 57 HB2 SER 7 HB1 SER 7 -1.023 11.372 -3.187 58 HB3 SER 7 HB2 SER 7 -1.561 12.689 -2.085 59 HG SER 7 HG1 SER 7 -0.224 10.272 -1.405 60 H LEU 8 HN LEU 8 -2.968 10.227 -4.450 61 HA LEU 8 HA LEU 8 -4.641 12.237 -5.470 62 HB2 LEU 8 HB1 LEU 8 -3.026 10.709 -6.734 63 HB3 LEU 8 HB2 LEU 8 -4.179 9.370 -6.483 64 HG LEU 8 HG LEU 8 -5.920 10.762 -7.774 65 HD11 LEU 8 HD11 LEU 8 -5.040 12.560 -9.274 66 HD12 LEU 8 HD12 LEU 8 -3.425 12.445 -8.490 67 HD13 LEU 8 HD13 LEU 8 -4.850 13.029 -7.547 68 HD21 LEU 8 HD21 LEU 8 -4.957 10.168 -9.988 69 HD22 LEU 8 HD22 LEU 8 -4.671 8.857 -8.787 70 HD23 LEU 8 HD23 LEU 8 -3.328 9.972 -9.247 71 H ALA 9 HN ALA 9 -5.423 8.902 -4.360 72 HA ALA 9 HA ALA 9 -8.139 8.906 -4.859 73 HB1 ALA 9 HB1 ALA 9 -6.781 6.877 -4.291 74 HB2 ALA 9 HB2 ALA 9 -6.573 7.495 -2.615 75 HB3 ALA 9 HB3 ALA 9 -8.213 7.025 -3.207 76 H ALA 10 HN ALA 10 -6.387 10.255 -2.050 77 HA ALA 10 HA ALA 10 -8.820 10.926 -0.675 78 HB1 ALA 10 HB1 ALA 10 -7.265 12.086 0.899 79 HB2 ALA 10 HB2 ALA 10 -6.656 10.445 0.489 80 HB3 ALA 10 HB3 ALA 10 -5.919 11.881 -0.296 81 H LYS 11 HN LYS 11 -7.912 12.157 -3.555 82 HA LYS 11 HA LYS 11 -9.386 14.652 -2.926 83 HB2 LYS 11 HB1 LYS 11 -7.133 14.192 -4.966 84 HB3 LYS 11 HB2 LYS 11 -8.390 15.431 -5.240 85 HG2 LYS 11 HG1 LYS 11 -6.638 16.660 -4.337 86 HG3 LYS 11 HG2 LYS 11 -7.828 16.480 -3.021 87 HD2 LYS 11 HD1 LYS 11 -6.116 14.268 -2.597 88 HD3 LYS 11 HD2 LYS 11 -4.998 15.407 -3.358 89 HE2 LYS 11 HE1 LYS 11 -4.902 15.520 -0.865 90 HE3 LYS 11 HE2 LYS 11 -5.474 17.101 -1.537 91 HZ1 LYS 11 HZ1 LYS 11 -7.674 16.584 -0.954 92 HZ2 LYS 11 HZ2 LYS 11 -6.767 16.110 0.407 93 HZ3 LYS 11 HZ3 LYS 11 -7.366 14.969 -0.691 94 H PHE 12 HN PHE 12 -8.768 12.104 -5.439 95 HA PHE 12 HA PHE 12 -11.247 12.911 -6.742 96 HB2 PHE 12 HB1 PHE 12 -8.945 11.003 -7.482 97 HB3 PHE 12 HB2 PHE 12 -10.428 11.193 -8.495 98 HD1 PHE 12 HD1 PHE 12 -7.319 12.841 -7.376 99 HD2 PHE 12 HD2 PHE 12 -10.982 13.297 -9.568 100 HE1 PHE 12 HE1 PHE 12 -6.417 14.883 -8.460 101 HE2 PHE 12 HE2 PHE 12 -10.082 15.330 -10.655 102 HZ PHE 12 HZ PHE 12 -7.800 16.125 -10.103 103 H GLY 13 HN GLY 13 -10.589 10.706 -4.272 104 HA2 GLY 13 HA1 GLY 13 -12.875 9.006 -5.090 105 HA3 GLY 13 HA2 GLY 13 -11.534 8.571 -3.991 106 HA PRO 14 HA PRO 14 -13.903 11.193 -0.974 107 HB2 PRO 14 HB1 PRO 14 -16.086 12.808 -1.632 108 HB3 PRO 14 HB2 PRO 14 -14.379 13.360 -1.819 109 HG2 PRO 14 HG1 PRO 14 -16.161 12.125 -3.994 110 HG3 PRO 14 HG2 PRO 14 -15.212 13.667 -4.070 111 HD2 PRO 14 HD1 PRO 14 -14.180 11.321 -5.081 112 HD3 PRO 14 HD2 PRO 14 -13.122 12.491 -4.177 113 H LYS 15 HN LYS 15 -15.753 9.695 -3.490 114 HA LYS 15 HA LYS 15 -17.967 8.701 -2.095 115 HB2 LYS 15 HB1 LYS 15 -17.546 8.663 -4.592 116 HB3 LYS 15 HB2 LYS 15 -16.247 7.457 -4.337 117 HG2 LYS 15 HG1 LYS 15 -18.047 5.882 -3.363 118 HG3 LYS 15 HG2 LYS 15 -19.277 7.055 -3.906 119 HD2 LYS 15 HD1 LYS 15 -17.191 5.596 -5.664 120 HD3 LYS 15 HD2 LYS 15 -18.910 5.126 -5.478 121 HE2 LYS 15 HE1 LYS 15 -19.644 7.278 -6.557 122 HE3 LYS 15 HE2 LYS 15 -17.917 7.777 -6.753 123 HZ1 LYS 15 HZ1 LYS 15 -18.802 6.798 -8.762 124 HZ2 LYS 15 HZ2 LYS 15 -19.178 5.356 -7.962 125 HZ3 LYS 15 HZ3 LYS 15 -17.564 5.832 -8.141 126 H LEU 16 HN LEU 16 -14.650 7.281 -2.432 127 HA LEU 16 HA LEU 16 -15.249 5.027 -0.750 128 HB2 LEU 16 HB1 LEU 16 -12.583 6.244 -1.691 129 HB3 LEU 16 HB2 LEU 16 -12.758 4.667 -0.861 130 HG LEU 16 HG LEU 16 -13.958 5.358 -3.610 131 HD11 LEU 16 HD11 LEU 16 -12.166 3.875 -4.512 132 HD12 LEU 16 HD12 LEU 16 -11.492 3.669 -2.856 133 HD13 LEU 16 HD13 LEU 16 -11.461 5.289 -3.642 134 HD21 LEU 16 HD21 LEU 16 -13.780 2.683 -2.075 135 HD22 LEU 16 HD22 LEU 16 -14.315 2.868 -3.782 136 HD23 LEU 16 HD23 LEU 16 -15.293 3.589 -2.452 137 H PHE 17 HN PHE 17 -13.650 8.185 -0.361 138 HA PHE 17 HA PHE 17 -12.627 7.788 2.166 139 HB2 PHE 17 HB1 PHE 17 -12.255 9.685 0.354 140 HB3 PHE 17 HB2 PHE 17 -13.598 10.542 1.189 141 HD1 PHE 17 HD1 PHE 17 -13.292 11.173 3.622 142 HD2 PHE 17 HD2 PHE 17 -10.106 9.440 1.317 143 HE1 PHE 17 HE1 PHE 17 -11.657 11.906 5.329 144 HE2 PHE 17 HE2 PHE 17 -8.468 10.190 3.018 145 HZ PHE 17 HZ PHE 17 -9.245 11.421 5.028 146 HN2 ABA 18 HN AGL 18 -15.859 9.166 1.302 147 HA ABA 18 HA AGL 18 -16.704 9.577 3.947 148 HB3 ABA 18 HB2 AGL 18 -18.275 9.011 1.374 149 HB2 ABA 18 HB1 AGL 18 -17.791 10.607 1.973 150 HG3 ABA 18 HG AGL 18 -20.106 8.852 2.920 151 H LEU 19 HN LEU 19 -17.011 6.616 1.868 152 HA LEU 19 HA LEU 19 -18.593 5.209 3.720 153 HB2 LEU 19 HB1 LEU 19 -16.695 4.266 1.509 154 HB3 LEU 19 HB2 LEU 19 -17.764 3.151 2.421 155 HG LEU 19 HG LEU 19 -18.795 5.530 0.778 156 HD11 LEU 19 HD11 LEU 19 -18.617 2.543 0.029 157 HD12 LEU 19 HD12 LEU 19 -17.646 3.886 -0.690 158 HD13 LEU 19 HD13 LEU 19 -19.433 3.832 -0.935 159 HD21 LEU 19 HD21 LEU 19 -20.235 3.093 2.013 160 HD22 LEU 19 HD22 LEU 19 -20.992 4.320 0.933 161 HD23 LEU 19 HD23 LEU 19 -20.390 4.805 2.558 162 H VAL 20 HN VAL 20 -14.969 5.137 3.341 163 HA VAL 20 HA VAL 20 -14.731 3.303 5.497 164 HB VAL 20 HB VAL 20 -12.359 3.735 5.540 165 HG11 VAL 20 HG11 VAL 20 -13.512 3.520 2.676 166 HG12 VAL 20 HG12 VAL 20 -11.908 2.939 3.241 167 HG13 VAL 20 HG13 VAL 20 -13.410 2.170 3.870 168 HG21 VAL 20 HG21 VAL 20 -11.338 5.307 3.852 169 HG22 VAL 20 HG22 VAL 20 -12.968 5.967 3.479 170 HG23 VAL 20 HG23 VAL 20 -12.243 6.193 5.121 171 H THR 21 HN THR 21 -14.544 6.870 5.432 172 HA THR 21 HA THR 21 -13.853 7.171 8.143 173 HB THR 21 HB THR 21 -15.386 9.221 6.481 174 HG1 THR 21 HG1 THR 21 -13.558 8.802 5.391 175 HG21 THR 21 HG21 THR 21 -13.391 9.441 8.853 176 HG22 THR 21 HG22 THR 21 -15.166 9.691 9.015 177 HG23 THR 21 HG23 THR 21 -14.176 10.815 8.007 178 H LYS 22 HN LYS 22 -17.034 7.002 6.551 179 HA LYS 22 HA LYS 22 -19.102 7.004 7.166 180 HB2 LYS 22 HB1 LYS 22 -18.221 6.085 9.930 181 HB3 LYS 22 HB2 LYS 22 -19.819 5.814 9.188 182 HG2 LYS 22 HG1 LYS 22 -19.009 4.183 7.650 183 HG3 LYS 22 HG2 LYS 22 -17.313 4.657 7.815 184 HD2 LYS 22 HD1 LYS 22 -18.989 3.163 9.904 185 HD3 LYS 22 HD2 LYS 22 -17.661 2.529 8.895 186 HE2 LYS 22 HE1 LYS 22 -17.490 4.414 11.320 187 HE3 LYS 22 HE2 LYS 22 -16.694 2.816 11.060 188 HZ1 LYS 22 HZ1 LYS 22 -15.499 4.082 9.135 189 HZ2 LYS 22 HZ2 LYS 22 -15.024 4.386 10.731 190 HZ3 LYS 22 HZ3 LYS 22 -16.028 5.459 9.905 191 H LYS 23 HN LYS 23 -17.379 9.469 7.973 192 HA LYS 23 HA LYS 23 -19.411 10.688 9.766 193 HB2 LYS 23 HB1 LYS 23 -17.067 10.330 10.673 194 HB3 LYS 23 HB2 LYS 23 -16.462 11.484 9.453 195 HG2 LYS 23 HG1 LYS 23 -18.743 12.565 11.032 196 HG3 LYS 23 HG2 LYS 23 -17.399 12.024 12.091 197 HD2 LYS 23 HD1 LYS 23 -15.804 13.529 10.991 198 HD3 LYS 23 HD2 LYS 23 -16.927 13.812 9.637 199 HE2 LYS 23 HE1 LYS 23 -16.860 15.820 11.057 200 HE3 LYS 23 HE2 LYS 23 -18.505 15.071 11.074 201 HZ1 LYS 23 HZ1 LYS 23 -17.943 14.025 13.174 202 HZ2 LYS 23 HZ2 LYS 23 -17.790 15.710 13.279 203 HZ3 LYS 23 HZ3 LYS 23 -16.405 14.738 13.168 204 HN2 ABA 24 HN AGL 24 -18.978 10.516 6.560 205 HA ABA 24 HA AGL 24 -18.621 13.281 5.902 206 HB3 ABA 24 HB2 AGL 24 -17.866 11.627 4.319 207 HB2 ABA 24 HB1 AGL 24 -19.121 12.662 3.591 208 HG3 ABA 24 HG AGL 24 -20.758 10.553 4.445 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 -1.358 0.251 -2.874 2 HA PHE 1 HA PHE 1 0.505 0.168 -1.155 3 HB2 PHE 1 HB1 PHE 1 1.145 -0.766 -4.036 4 HB3 PHE 1 HB2 PHE 1 1.867 -1.437 -2.522 5 HD1 PHE 1 HD1 PHE 1 0.015 -2.211 -0.714 6 HD2 PHE 1 HD2 PHE 1 -0.624 -1.944 -4.956 7 HE1 PHE 1 HE1 PHE 1 -1.881 -3.792 -0.530 8 HE2 PHE 1 HE2 PHE 1 -2.513 -3.531 -4.772 9 HZ PHE 1 HZ PHE 1 -3.150 -4.452 -2.558 10 H LEU 2 HN LEU 2 0.582 2.480 -3.597 11 HA LEU 2 HA LEU 2 3.390 3.204 -2.987 12 HB2 LEU 2 HB1 LEU 2 1.739 3.784 -5.513 13 HB3 LEU 2 HB2 LEU 2 3.287 4.599 -5.131 14 HG LEU 2 HG LEU 2 3.747 2.967 -6.747 15 HD11 LEU 2 HD11 LEU 2 5.454 3.168 -4.915 16 HD12 LEU 2 HD12 LEU 2 5.450 1.540 -5.694 17 HD13 LEU 2 HD13 LEU 2 4.697 1.754 -4.078 18 HD21 LEU 2 HD21 LEU 2 2.542 0.727 -5.028 19 HD22 LEU 2 HD22 LEU 2 3.267 0.589 -6.665 20 HD23 LEU 2 HD23 LEU 2 1.729 1.502 -6.444 21 HA PRO 3 HA PRO 3 1.177 6.223 -0.799 22 HB2 PRO 3 HB1 PRO 3 3.128 8.182 -0.187 23 HB3 PRO 3 HB2 PRO 3 3.057 6.543 0.560 24 HG2 PRO 3 HG1 PRO 3 4.729 7.403 -1.866 25 HG3 PRO 3 HG2 PRO 3 5.283 6.514 -0.386 26 HD2 PRO 3 HD1 PRO 3 4.653 5.135 -2.674 27 HD3 PRO 3 HD2 PRO 3 4.089 4.500 -1.063 28 H ILE 4 HN ILE 4 2.859 7.462 -3.592 29 HA ILE 4 HA ILE 4 1.788 9.914 -4.054 30 HB ILE 4 HB ILE 4 2.198 7.754 -6.160 31 HG12 ILE 4 HG11 ILE 4 4.149 9.813 -4.951 32 HG13 ILE 4 HG12 ILE 4 4.216 8.041 -4.693 33 HG21 ILE 4 HG21 ILE 4 0.893 9.776 -6.972 34 HG22 ILE 4 HG22 ILE 4 2.178 10.855 -6.310 35 HG23 ILE 4 HG23 ILE 4 2.530 9.741 -7.678 36 HD11 ILE 4 HD1 ILE 4 5.887 8.627 -6.369 37 HD12 ILE 4 HD2 ILE 4 4.568 7.718 -7.196 38 HD13 ILE 4 HD3 ILE 4 4.683 9.507 -7.365 39 H LEU 5 HN LEU 5 0.203 6.898 -5.272 40 HA LEU 5 HA LEU 5 -2.008 8.279 -6.257 41 HB2 LEU 5 HB1 LEU 5 -2.975 6.130 -6.791 42 HB3 LEU 5 HB2 LEU 5 -1.237 6.165 -7.171 43 HG LEU 5 HG LEU 5 -1.024 5.046 -4.719 44 HD11 LEU 5 HD11 LEU 5 -2.849 3.387 -4.335 45 HD12 LEU 5 HD12 LEU 5 -3.804 4.105 -5.683 46 HD13 LEU 5 HD13 LEU 5 -3.488 5.061 -4.188 47 HD21 LEU 5 HD21 LEU 5 -1.854 3.514 -7.262 48 HD22 LEU 5 HD22 LEU 5 -0.971 2.831 -5.849 49 HD23 LEU 5 HD23 LEU 5 -0.191 4.093 -6.875 50 H ALA 6 HN ALA 6 -1.462 7.096 -2.962 51 HA ALA 6 HA ALA 6 -4.141 7.097 -2.121 52 HB1 ALA 6 HB1 ALA 6 -1.579 7.769 -0.546 53 HB2 ALA 6 HB2 ALA 6 -3.171 7.318 0.172 54 HB3 ALA 6 HB3 ALA 6 -2.252 6.122 -0.809 55 H SER 7 HN SER 7 -1.794 9.768 -2.355 56 HA SER 7 HA SER 7 -3.449 11.800 -1.265 57 HB2 SER 7 HB1 SER 7 -0.970 12.008 -1.583 58 HB3 SER 7 HB2 SER 7 -1.205 12.059 -3.356 59 HG SER 7 HG1 SER 7 -0.994 14.097 -2.095 60 H LEU 8 HN LEU 8 -3.104 10.586 -4.631 61 HA LEU 8 HA LEU 8 -4.934 12.436 -5.783 62 HB2 LEU 8 HB1 LEU 8 -3.175 10.998 -6.986 63 HB3 LEU 8 HB2 LEU 8 -4.221 9.585 -6.677 64 HG LEU 8 HG LEU 8 -6.072 10.784 -7.999 65 HD11 LEU 8 HD11 LEU 8 -5.193 13.143 -7.868 66 HD12 LEU 8 HD12 LEU 8 -5.368 12.586 -9.568 67 HD13 LEU 8 HD13 LEU 8 -3.736 12.639 -8.817 68 HD21 LEU 8 HD21 LEU 8 -4.673 8.957 -8.964 69 HD22 LEU 8 HD22 LEU 8 -3.434 10.167 -9.473 70 HD23 LEU 8 HD23 LEU 8 -5.080 10.201 -10.200 71 H ALA 9 HN ALA 9 -5.342 9.081 -4.561 72 HA ALA 9 HA ALA 9 -7.981 8.711 -5.208 73 HB1 ALA 9 HB1 ALA 9 -7.865 6.812 -3.579 74 HB2 ALA 9 HB2 ALA 9 -6.372 6.901 -4.579 75 HB3 ALA 9 HB3 ALA 9 -6.351 7.512 -2.887 76 H ALA 10 HN ALA 10 -6.674 10.139 -2.166 77 HA ALA 10 HA ALA 10 -9.130 10.340 -0.852 78 HB1 ALA 10 HB1 ALA 10 -6.897 10.718 0.212 79 HB2 ALA 10 HB2 ALA 10 -6.691 12.222 -0.755 80 HB3 ALA 10 HB3 ALA 10 -7.993 12.117 0.497 81 H LYS 11 HN LYS 11 -7.719 12.546 -3.290 82 HA LYS 11 HA LYS 11 -9.801 14.520 -2.937 83 HB2 LYS 11 HB1 LYS 11 -7.731 14.241 -5.185 84 HB3 LYS 11 HB2 LYS 11 -8.731 15.687 -4.827 85 HG2 LYS 11 HG1 LYS 11 -7.606 15.835 -2.547 86 HG3 LYS 11 HG2 LYS 11 -6.574 14.452 -3.011 87 HD2 LYS 11 HD1 LYS 11 -5.962 15.974 -5.137 88 HD3 LYS 11 HD2 LYS 11 -6.653 17.295 -4.161 89 HE2 LYS 11 HE1 LYS 11 -4.246 17.335 -3.764 90 HE3 LYS 11 HE2 LYS 11 -4.994 16.642 -2.267 91 HZ1 LYS 11 HZ1 LYS 11 -3.662 15.181 -4.499 92 HZ2 LYS 11 HZ2 LYS 11 -4.570 14.411 -3.319 93 HZ3 LYS 11 HZ3 LYS 11 -3.185 15.214 -2.877 94 H PHE 12 HN PHE 12 -9.053 12.041 -5.457 95 HA PHE 12 HA PHE 12 -11.458 12.849 -6.921 96 HB2 PHE 12 HB1 PHE 12 -9.065 11.005 -7.520 97 HB3 PHE 12 HB2 PHE 12 -10.517 11.059 -8.588 98 HD1 PHE 12 HD1 PHE 12 -7.606 13.013 -7.374 99 HD2 PHE 12 HD2 PHE 12 -11.088 12.985 -9.881 100 HE1 PHE 12 HE1 PHE 12 -6.779 15.042 -8.549 101 HE2 PHE 12 HE2 PHE 12 -10.263 14.999 -11.059 102 HZ PHE 12 HZ PHE 12 -8.109 16.028 -10.396 103 H GLY 13 HN GLY 13 -10.846 10.668 -4.430 104 HA2 GLY 13 HA1 GLY 13 -13.205 9.056 -5.227 105 HA3 GLY 13 HA2 GLY 13 -11.783 8.457 -4.312 106 HA PRO 14 HA PRO 14 -13.701 11.013 -0.958 107 HB2 PRO 14 HB1 PRO 14 -15.851 12.764 -1.303 108 HB3 PRO 14 HB2 PRO 14 -14.153 13.226 -1.707 109 HG2 PRO 14 HG1 PRO 14 -16.262 12.121 -3.653 110 HG3 PRO 14 HG2 PRO 14 -15.272 13.632 -3.819 111 HD2 PRO 14 HD1 PRO 14 -14.437 11.298 -5.010 112 HD3 PRO 14 HD2 PRO 14 -13.248 12.386 -4.169 113 H LYS 15 HN LYS 15 -15.677 9.494 -3.262 114 HA LYS 15 HA LYS 15 -17.871 8.550 -1.782 115 HB2 LYS 15 HB1 LYS 15 -17.481 8.365 -4.280 116 HB3 LYS 15 HB2 LYS 15 -16.133 7.230 -3.968 117 HG2 LYS 15 HG1 LYS 15 -17.873 5.653 -2.870 118 HG3 LYS 15 HG2 LYS 15 -19.142 6.734 -3.509 119 HD2 LYS 15 HD1 LYS 15 -16.978 5.228 -5.127 120 HD3 LYS 15 HD2 LYS 15 -18.684 4.715 -4.936 121 HE2 LYS 15 HE1 LYS 15 -19.465 6.754 -6.187 122 HE3 LYS 15 HE2 LYS 15 -17.752 7.302 -6.379 123 HZ1 LYS 15 HZ1 LYS 15 -18.895 4.758 -7.443 124 HZ2 LYS 15 HZ2 LYS 15 -17.295 5.281 -7.617 125 HZ3 LYS 15 HZ3 LYS 15 -18.550 6.155 -8.333 126 H LEU 16 HN LEU 16 -14.513 7.212 -2.083 127 HA LEU 16 HA LEU 16 -15.033 5.021 -0.294 128 HB2 LEU 16 HB1 LEU 16 -12.422 6.276 -1.333 129 HB3 LEU 16 HB2 LEU 16 -12.517 4.757 -0.388 130 HG LEU 16 HG LEU 16 -13.785 5.189 -3.157 131 HD11 LEU 16 HD11 LEU 16 -11.291 5.238 -3.232 132 HD12 LEU 16 HD12 LEU 16 -11.935 3.728 -3.981 133 HD13 LEU 16 HD13 LEU 16 -11.227 3.681 -2.327 134 HD21 LEU 16 HD21 LEU 16 -15.015 3.447 -1.849 135 HD22 LEU 16 HD22 LEU 16 -13.453 2.647 -1.432 136 HD23 LEU 16 HD23 LEU 16 -14.020 2.676 -3.138 137 H PHE 17 HN PHE 17 -13.535 8.236 -0.068 138 HA PHE 17 HA PHE 17 -12.514 8.006 2.489 139 HB2 PHE 17 HB1 PHE 17 -12.228 9.808 0.523 140 HB3 PHE 17 HB2 PHE 17 -13.527 10.695 1.388 141 HD1 PHE 17 HD1 PHE 17 -12.993 11.788 3.508 142 HD2 PHE 17 HD2 PHE 17 -10.111 9.239 1.599 143 HE1 PHE 17 HE1 PHE 17 -11.226 12.635 5.034 144 HE2 PHE 17 HE2 PHE 17 -8.350 10.082 3.123 145 HZ PHE 17 HZ PHE 17 -8.907 11.782 4.839 146 HN2 ABA 18 HN AGL 18 -15.750 9.224 1.491 147 HA ABA 18 HA AGL 18 -16.754 9.741 4.054 148 HB3 ABA 18 HB2 AGL 18 -18.046 8.922 1.396 149 HB2 ABA 18 HB1 AGL 18 -17.815 10.572 1.998 150 HG3 ABA 18 HG AGL 18 -20.006 8.572 2.710 151 H LEU 19 HN LEU 19 -16.826 6.627 2.163 152 HA LEU 19 HA LEU 19 -18.403 5.297 4.087 153 HB2 LEU 19 HB1 LEU 19 -16.469 4.279 1.942 154 HB3 LEU 19 HB2 LEU 19 -17.508 3.186 2.913 155 HG LEU 19 HG LEU 19 -18.614 5.447 1.156 156 HD11 LEU 19 HD11 LEU 19 -17.400 3.796 -0.247 157 HD12 LEU 19 HD12 LEU 19 -19.183 3.660 -0.488 158 HD13 LEU 19 HD13 LEU 19 -18.316 2.443 0.524 159 HD21 LEU 19 HD21 LEU 19 -20.184 4.732 2.962 160 HD22 LEU 19 HD22 LEU 19 -19.964 3.008 2.483 161 HD23 LEU 19 HD23 LEU 19 -20.762 4.164 1.356 162 H VAL 20 HN VAL 20 -14.784 5.278 3.711 163 HA VAL 20 HA VAL 20 -14.486 3.517 5.905 164 HB VAL 20 HB VAL 20 -12.124 3.967 5.888 165 HG11 VAL 20 HG11 VAL 20 -13.181 2.387 4.235 166 HG12 VAL 20 HG12 VAL 20 -13.308 3.734 3.038 167 HG13 VAL 20 HG13 VAL 20 -11.693 3.169 3.589 168 HG21 VAL 20 HG21 VAL 20 -12.015 6.413 5.472 169 HG22 VAL 20 HG22 VAL 20 -11.149 5.544 4.167 170 HG23 VAL 20 HG23 VAL 20 -12.793 6.205 3.853 171 H THR 21 HN THR 21 -14.339 7.091 5.767 172 HA THR 21 HA THR 21 -13.678 7.260 8.555 173 HB THR 21 HB THR 21 -14.767 9.662 7.061 174 HG1 THR 21 HG1 THR 21 -13.300 8.917 5.626 175 HG21 THR 21 HG21 THR 21 -12.408 9.154 9.019 176 HG22 THR 21 HG22 THR 21 -14.014 9.765 9.543 177 HG23 THR 21 HG23 THR 21 -12.967 10.759 8.444 178 H LYS 22 HN LYS 22 -16.584 6.897 6.817 179 HA LYS 22 HA LYS 22 -18.655 6.605 7.321 180 HB2 LYS 22 HB1 LYS 22 -17.181 5.126 8.852 181 HB3 LYS 22 HB2 LYS 22 -17.801 6.145 10.200 182 HG2 LYS 22 HG1 LYS 22 -20.176 5.470 9.373 183 HG3 LYS 22 HG2 LYS 22 -19.385 4.299 8.284 184 HD2 LYS 22 HD1 LYS 22 -19.231 4.376 11.383 185 HD3 LYS 22 HD2 LYS 22 -20.251 3.309 10.394 186 HE2 LYS 22 HE1 LYS 22 -18.445 1.928 11.106 187 HE3 LYS 22 HE2 LYS 22 -18.124 2.282 9.363 188 HZ1 LYS 22 HZ1 LYS 22 -16.564 3.978 10.061 189 HZ2 LYS 22 HZ2 LYS 22 -16.143 2.491 10.753 190 HZ3 LYS 22 HZ3 LYS 22 -16.896 3.688 11.694 191 H LYS 23 HN LYS 23 -17.683 9.494 7.970 192 HA LYS 23 HA LYS 23 -20.158 10.221 9.437 193 HB2 LYS 23 HB1 LYS 23 -19.172 11.487 10.970 194 HB3 LYS 23 HB2 LYS 23 -17.884 10.283 10.742 195 HG2 LYS 23 HG1 LYS 23 -17.993 13.174 9.657 196 HG3 LYS 23 HG2 LYS 23 -17.048 12.560 11.040 197 HD2 LYS 23 HD1 LYS 23 -15.652 11.165 9.518 198 HD3 LYS 23 HD2 LYS 23 -16.636 11.669 8.112 199 HE2 LYS 23 HE1 LYS 23 -14.493 12.952 8.175 200 HE3 LYS 23 HE2 LYS 23 -15.926 14.039 8.362 201 HZ1 LYS 23 HZ1 LYS 23 -15.574 13.994 10.747 202 HZ2 LYS 23 HZ2 LYS 23 -14.202 14.582 9.947 203 HZ3 LYS 23 HZ3 LYS 23 -14.214 13.004 10.576 204 HN2 ABA 24 HN AGL 24 -19.346 10.286 6.409 205 HA ABA 24 HA AGL 24 -19.384 13.092 5.837 206 HB3 ABA 24 HB2 AGL 24 -18.276 11.606 4.282 207 HB2 ABA 24 HB1 AGL 24 -19.607 12.484 3.483 208 HG3 ABA 24 HG AGL 24 -21.022 10.185 4.124 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 1.424 1.255 0.648 2 HA PHE 1 HA PHE 1 3.152 0.362 -1.521 3 HB2 PHE 1 HB1 PHE 1 0.339 -0.678 -0.810 4 HB3 PHE 1 HB2 PHE 1 1.061 -0.910 -2.445 5 HD1 PHE 1 HD1 PHE 1 2.936 -2.390 -2.804 6 HD2 PHE 1 HD2 PHE 1 1.323 -1.838 1.137 7 HE1 PHE 1 HE1 PHE 1 4.171 -4.389 -2.021 8 HE2 PHE 1 HE2 PHE 1 2.556 -3.837 1.924 9 HZ PHE 1 HZ PHE 1 3.983 -5.115 0.347 10 H LEU 2 HN LEU 2 3.033 1.540 -3.322 11 HA LEU 2 HA LEU 2 2.667 3.312 -4.595 12 HB2 LEU 2 HB1 LEU 2 -0.147 2.166 -4.488 13 HB3 LEU 2 HB2 LEU 2 0.445 3.340 -5.698 14 HG LEU 2 HG LEU 2 2.299 1.622 -6.284 15 HD11 LEU 2 HD11 LEU 2 0.265 -0.258 -4.908 16 HD12 LEU 2 HD12 LEU 2 2.014 -0.087 -4.485 17 HD13 LEU 2 HD13 LEU 2 1.533 -0.789 -6.067 18 HD21 LEU 2 HD21 LEU 2 -0.655 1.067 -6.956 19 HD22 LEU 2 HD22 LEU 2 0.768 0.526 -7.915 20 HD23 LEU 2 HD23 LEU 2 0.407 2.283 -7.762 21 HA PRO 3 HA PRO 3 0.660 5.894 -1.259 22 HB2 PRO 3 HB1 PRO 3 2.749 7.599 -0.449 23 HB3 PRO 3 HB2 PRO 3 2.564 5.904 0.137 24 HG2 PRO 3 HG1 PRO 3 4.294 6.857 -2.220 25 HG3 PRO 3 HG2 PRO 3 4.803 5.846 -0.802 26 HD2 PRO 3 HD1 PRO 3 4.083 4.642 -3.161 27 HD3 PRO 3 HD2 PRO 3 3.497 3.959 -1.575 28 H ILE 4 HN ILE 4 2.520 7.026 -3.964 29 HA ILE 4 HA ILE 4 1.698 9.577 -4.429 30 HB ILE 4 HB ILE 4 1.834 7.381 -6.537 31 HG12 ILE 4 HG11 ILE 4 3.895 7.207 -5.255 32 HG13 ILE 4 HG12 ILE 4 4.202 7.993 -6.823 33 HG21 ILE 4 HG21 ILE 4 0.872 9.511 -7.398 34 HG22 ILE 4 HG22 ILE 4 2.211 10.454 -6.648 35 HG23 ILE 4 HG23 ILE 4 2.549 9.320 -8.003 36 HD11 ILE 4 HD1 ILE 4 5.507 9.115 -5.040 37 HD12 ILE 4 HD2 ILE 4 4.284 10.254 -5.697 38 HD13 ILE 4 HD3 ILE 4 4.015 9.463 -4.101 39 H LEU 5 HN LEU 5 -0.169 6.703 -5.660 40 HA LEU 5 HA LEU 5 -2.273 8.441 -6.450 41 HB2 LEU 5 HB1 LEU 5 -3.487 6.440 -7.173 42 HB3 LEU 5 HB2 LEU 5 -1.840 6.599 -7.827 43 HG LEU 5 HG LEU 5 -1.037 4.896 -6.109 44 HD11 LEU 5 HD11 LEU 5 -2.858 4.839 -4.431 45 HD12 LEU 5 HD12 LEU 5 -2.789 3.265 -5.277 46 HD13 LEU 5 HD13 LEU 5 -4.070 4.451 -5.718 47 HD21 LEU 5 HD21 LEU 5 -1.423 4.373 -8.507 48 HD22 LEU 5 HD22 LEU 5 -3.170 4.076 -8.179 49 HD23 LEU 5 HD23 LEU 5 -1.929 2.984 -7.473 50 H ALA 6 HN ALA 6 -1.685 6.829 -3.375 51 HA ALA 6 HA ALA 6 -4.337 6.952 -2.415 52 HB1 ALA 6 HB1 ALA 6 -3.267 6.916 -0.153 53 HB2 ALA 6 HB2 ALA 6 -2.480 5.729 -1.252 54 HB3 ALA 6 HB3 ALA 6 -1.673 7.299 -0.900 55 H SER 7 HN SER 7 -1.738 9.354 -2.493 56 HA SER 7 HA SER 7 -3.062 11.459 -1.179 57 HB2 SER 7 HB1 SER 7 -0.849 11.579 -3.319 58 HB3 SER 7 HB2 SER 7 -1.389 12.969 -2.315 59 HG SER 7 HG1 SER 7 -0.130 10.579 -1.449 60 H LEU 8 HN LEU 8 -3.111 10.470 -4.598 61 HA LEU 8 HA LEU 8 -4.768 12.632 -5.488 62 HB2 LEU 8 HB1 LEU 8 -3.198 11.191 -6.904 63 HB3 LEU 8 HB2 LEU 8 -4.316 9.824 -6.653 64 HG LEU 8 HG LEU 8 -6.148 11.255 -7.773 65 HD11 LEU 8 HD11 LEU 8 -5.088 13.520 -7.527 66 HD12 LEU 8 HD12 LEU 8 -5.359 13.107 -9.257 67 HD13 LEU 8 HD13 LEU 8 -3.706 12.982 -8.561 68 HD21 LEU 8 HD21 LEU 8 -3.640 10.529 -9.413 69 HD22 LEU 8 HD22 LEU 8 -5.305 10.756 -10.060 70 HD23 LEU 8 HD23 LEU 8 -4.961 9.398 -8.929 71 H ALA 9 HN ALA 9 -5.425 9.207 -4.573 72 HA ALA 9 HA ALA 9 -8.039 9.058 -5.287 73 HB1 ALA 9 HB1 ALA 9 -8.082 7.005 -3.846 74 HB2 ALA 9 HB2 ALA 9 -6.558 7.113 -4.793 75 HB3 ALA 9 HB3 ALA 9 -6.557 7.554 -3.049 76 H ALA 10 HN ALA 10 -6.812 10.128 -2.085 77 HA ALA 10 HA ALA 10 -9.306 10.280 -0.831 78 HB1 ALA 10 HB1 ALA 10 -8.167 11.903 0.707 79 HB2 ALA 10 HB2 ALA 10 -7.113 10.492 0.339 80 HB3 ALA 10 HB3 ALA 10 -6.816 12.063 -0.487 81 H LYS 11 HN LYS 11 -7.842 12.540 -3.135 82 HA LYS 11 HA LYS 11 -9.757 14.665 -2.605 83 HB2 LYS 11 HB1 LYS 11 -7.440 14.274 -4.574 84 HB3 LYS 11 HB2 LYS 11 -8.562 15.653 -4.724 85 HG2 LYS 11 HG1 LYS 11 -6.480 16.296 -3.636 86 HG3 LYS 11 HG2 LYS 11 -7.914 16.615 -2.619 87 HD2 LYS 11 HD1 LYS 11 -7.408 14.963 -1.044 88 HD3 LYS 11 HD2 LYS 11 -6.416 13.998 -2.164 89 HE2 LYS 11 HE1 LYS 11 -5.494 16.739 -1.060 90 HE3 LYS 11 HE2 LYS 11 -5.100 15.135 -0.313 91 HZ1 LYS 11 HZ1 LYS 11 -4.264 14.460 -2.506 92 HZ2 LYS 11 HZ2 LYS 11 -3.342 15.679 -1.773 93 HZ3 LYS 11 HZ3 LYS 11 -4.403 16.047 -3.059 94 H PHE 12 HN PHE 12 -9.101 12.319 -5.268 95 HA PHE 12 HA PHE 12 -11.468 13.321 -6.680 96 HB2 PHE 12 HB1 PHE 12 -9.170 11.410 -7.419 97 HB3 PHE 12 HB2 PHE 12 -10.619 11.629 -8.473 98 HD1 PHE 12 HD1 PHE 12 -7.593 13.299 -7.134 99 HD2 PHE 12 HD2 PHE 12 -11.104 13.715 -9.569 100 HE1 PHE 12 HE1 PHE 12 -6.667 15.385 -8.118 101 HE2 PHE 12 HE2 PHE 12 -10.180 15.789 -10.554 102 HZ PHE 12 HZ PHE 12 -7.963 16.626 -9.830 103 H GLY 13 HN GLY 13 -10.981 11.058 -4.291 104 HA2 GLY 13 HA1 GLY 13 -13.421 9.595 -5.121 105 HA3 GLY 13 HA2 GLY 13 -12.018 8.873 -4.263 106 HA PRO 14 HA PRO 14 -13.882 11.381 -0.760 107 HB2 PRO 14 HB1 PRO 14 -16.026 13.143 -1.112 108 HB3 PRO 14 HB2 PRO 14 -14.309 13.627 -1.386 109 HG2 PRO 14 HG1 PRO 14 -16.306 12.664 -3.515 110 HG3 PRO 14 HG2 PRO 14 -15.289 14.165 -3.532 111 HD2 PRO 14 HD1 PRO 14 -14.432 11.889 -4.814 112 HD3 PRO 14 HD2 PRO 14 -13.267 12.912 -3.867 113 H LYS 15 HN LYS 15 -15.920 10.173 -3.244 114 HA LYS 15 HA LYS 15 -18.075 9.044 -1.869 115 HB2 LYS 15 HB1 LYS 15 -17.830 9.191 -4.340 116 HB3 LYS 15 HB2 LYS 15 -16.384 8.136 -4.282 117 HG2 LYS 15 HG1 LYS 15 -17.826 6.191 -3.589 118 HG3 LYS 15 HG2 LYS 15 -19.245 7.274 -3.531 119 HD2 LYS 15 HD1 LYS 15 -19.341 6.020 -5.592 120 HD3 LYS 15 HD2 LYS 15 -19.014 7.740 -5.982 121 HE2 LYS 15 HE1 LYS 15 -16.561 7.173 -6.351 122 HE3 LYS 15 HE2 LYS 15 -16.919 5.446 -5.955 123 HZ1 LYS 15 HZ1 LYS 15 -18.428 5.391 -7.850 124 HZ2 LYS 15 HZ2 LYS 15 -16.873 5.852 -8.331 125 HZ3 LYS 15 HZ3 LYS 15 -18.095 7.011 -8.211 126 H LEU 16 HN LEU 16 -14.734 7.721 -2.353 127 HA LEU 16 HA LEU 16 -15.302 5.333 -0.834 128 HB2 LEU 16 HB1 LEU 16 -12.656 6.602 -1.755 129 HB3 LEU 16 HB2 LEU 16 -12.825 4.971 -1.036 130 HG LEU 16 HG LEU 16 -14.072 5.872 -3.702 131 HD11 LEU 16 HD11 LEU 16 -11.610 4.108 -3.126 132 HD12 LEU 16 HD12 LEU 16 -11.579 5.782 -3.790 133 HD13 LEU 16 HD13 LEU 16 -12.313 4.441 -4.749 134 HD21 LEU 16 HD21 LEU 16 -14.461 3.401 -4.051 135 HD22 LEU 16 HD22 LEU 16 -15.405 4.034 -2.651 136 HD23 LEU 16 HD23 LEU 16 -13.895 3.089 -2.373 137 H PHE 17 HN PHE 17 -13.696 8.475 -0.294 138 HA PHE 17 HA PHE 17 -12.604 7.901 2.167 139 HB2 PHE 17 HB1 PHE 17 -12.233 9.911 0.499 140 HB3 PHE 17 HB2 PHE 17 -13.555 10.726 1.405 141 HD1 PHE 17 HD1 PHE 17 -13.192 11.311 3.806 142 HD2 PHE 17 HD2 PHE 17 -10.107 9.419 1.491 143 HE1 PHE 17 HE1 PHE 17 -11.531 11.884 5.549 144 HE2 PHE 17 HE2 PHE 17 -8.441 10.006 3.231 145 HZ PHE 17 HZ PHE 17 -9.156 11.238 5.262 146 HN2 ABA 18 HN AGL 18 -15.854 9.376 1.536 147 HA ABA 18 HA AGL 18 -16.567 9.593 4.249 148 HB3 ABA 18 HB2 AGL 18 -18.267 9.271 1.720 149 HB2 ABA 18 HB1 AGL 18 -17.736 10.800 2.442 150 HG3 ABA 18 HG AGL 18 -20.002 8.948 3.350 151 H LEU 19 HN LEU 19 -16.979 6.804 1.973 152 HA LEU 19 HA LEU 19 -18.479 5.245 3.772 153 HB2 LEU 19 HB1 LEU 19 -16.687 4.492 1.407 154 HB3 LEU 19 HB2 LEU 19 -17.698 3.300 2.285 155 HG LEU 19 HG LEU 19 -18.822 5.775 0.861 156 HD11 LEU 19 HD11 LEU 19 -17.756 4.218 -0.758 157 HD12 LEU 19 HD12 LEU 19 -19.554 4.179 -0.912 158 HD13 LEU 19 HD13 LEU 19 -18.692 2.836 -0.067 159 HD21 LEU 19 HD21 LEU 19 -20.328 4.953 2.672 160 HD22 LEU 19 HD22 LEU 19 -20.198 3.271 2.034 161 HD23 LEU 19 HD23 LEU 19 -21.009 4.549 1.057 162 H VAL 20 HN VAL 20 -14.871 5.252 3.257 163 HA VAL 20 HA VAL 20 -14.524 3.278 5.271 164 HB VAL 20 HB VAL 20 -12.163 3.763 5.280 165 HG11 VAL 20 HG11 VAL 20 -11.757 3.129 2.922 166 HG12 VAL 20 HG12 VAL 20 -13.223 2.283 3.539 167 HG13 VAL 20 HG13 VAL 20 -13.390 3.705 2.440 168 HG21 VAL 20 HG21 VAL 20 -12.874 6.090 3.368 169 HG22 VAL 20 HG22 VAL 20 -12.150 6.256 5.017 170 HG23 VAL 20 HG23 VAL 20 -11.218 5.473 3.700 171 H THR 21 HN THR 21 -14.519 6.836 5.457 172 HA THR 21 HA THR 21 -13.732 6.982 8.159 173 HB THR 21 HB THR 21 -15.442 9.033 6.689 174 HG1 THR 21 HG1 THR 21 -13.589 8.776 5.543 175 HG21 THR 21 HG21 THR 21 -13.411 9.225 9.032 176 HG22 THR 21 HG22 THR 21 -15.192 9.351 9.246 177 HG23 THR 21 HG23 THR 21 -14.297 10.599 8.296 178 H LYS 22 HN LYS 22 -16.992 6.732 6.710 179 HA LYS 22 HA LYS 22 -19.025 6.687 7.449 180 HB2 LYS 22 HB1 LYS 22 -17.962 5.520 10.080 181 HB3 LYS 22 HB2 LYS 22 -19.667 5.632 9.602 182 HG2 LYS 22 HG1 LYS 22 -19.299 3.459 9.140 183 HG3 LYS 22 HG2 LYS 22 -19.158 4.220 7.537 184 HD2 LYS 22 HD1 LYS 22 -17.541 2.447 7.819 185 HD3 LYS 22 HD2 LYS 22 -16.680 3.983 7.616 186 HE2 LYS 22 HE1 LYS 22 -17.205 3.011 10.488 187 HE3 LYS 22 HE2 LYS 22 -16.029 2.077 9.481 188 HZ1 LYS 22 HZ1 LYS 22 -15.874 5.012 9.976 189 HZ2 LYS 22 HZ2 LYS 22 -14.851 4.102 9.029 190 HZ3 LYS 22 HZ3 LYS 22 -14.906 3.820 10.703 191 H LYS 23 HN LYS 23 -17.264 9.158 8.248 192 HA LYS 23 HA LYS 23 -19.296 10.257 10.118 193 HB2 LYS 23 HB1 LYS 23 -16.961 9.690 11.032 194 HB3 LYS 23 HB2 LYS 23 -16.358 11.111 10.142 195 HG2 LYS 23 HG1 LYS 23 -18.784 11.403 12.002 196 HG3 LYS 23 HG2 LYS 23 -17.200 11.100 12.745 197 HD2 LYS 23 HD1 LYS 23 -16.380 13.155 12.405 198 HD3 LYS 23 HD2 LYS 23 -16.960 13.256 10.732 199 HE2 LYS 23 HE1 LYS 23 -18.681 13.828 13.251 200 HE3 LYS 23 HE2 LYS 23 -17.946 15.052 12.139 201 HZ1 LYS 23 HZ1 LYS 23 -20.041 14.840 11.268 202 HZ2 LYS 23 HZ2 LYS 23 -20.178 13.189 11.649 203 HZ3 LYS 23 HZ3 LYS 23 -19.212 13.668 10.363 204 HN2 ABA 24 HN AGL 24 -18.887 10.368 6.996 205 HA ABA 24 HA AGL 24 -18.521 13.193 6.579 206 HB3 ABA 24 HB2 AGL 24 -17.786 11.695 4.837 207 HB2 ABA 24 HB1 AGL 24 -19.082 12.749 4.217 208 HG3 ABA 24 HG AGL 24 -20.636 10.536 4.988 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 1.464 0.947 0.446 2 HA PHE 1 HA PHE 1 3.439 0.269 -1.522 3 HB2 PHE 1 HB1 PHE 1 0.779 -1.237 -1.190 4 HB3 PHE 1 HB2 PHE 1 1.517 -1.067 -2.823 5 HD1 PHE 1 HD1 PHE 1 3.382 -2.353 -3.483 6 HD2 PHE 1 HD2 PHE 1 2.138 -2.388 0.626 7 HE1 PHE 1 HE1 PHE 1 4.909 -4.248 -3.042 8 HE2 PHE 1 HE2 PHE 1 3.663 -4.286 1.074 9 HZ PHE 1 HZ PHE 1 5.057 -5.218 -0.759 10 H LEU 2 HN LEU 2 3.132 1.321 -3.464 11 HA LEU 2 HA LEU 2 2.718 3.150 -4.647 12 HB2 LEU 2 HB1 LEU 2 -0.042 1.896 -4.482 13 HB3 LEU 2 HB2 LEU 2 0.405 3.188 -5.630 14 HG LEU 2 HG LEU 2 2.289 1.677 -6.496 15 HD11 LEU 2 HD11 LEU 2 1.788 -0.807 -6.368 16 HD12 LEU 2 HD12 LEU 2 0.607 -0.476 -5.052 17 HD13 LEU 2 HD13 LEU 2 2.368 -0.147 -4.802 18 HD21 LEU 2 HD21 LEU 2 -0.650 0.862 -6.920 19 HD22 LEU 2 HD22 LEU 2 0.716 0.513 -8.038 20 HD23 LEU 2 HD23 LEU 2 0.209 2.216 -7.747 21 HA PRO 3 HA PRO 3 0.843 5.607 -1.158 22 HB2 PRO 3 HB1 PRO 3 2.931 7.374 -0.474 23 HB3 PRO 3 HB2 PRO 3 2.830 5.671 0.110 24 HG2 PRO 3 HG1 PRO 3 4.369 6.688 -2.348 25 HG3 PRO 3 HG2 PRO 3 5.003 5.680 -0.979 26 HD2 PRO 3 HD1 PRO 3 4.163 4.476 -3.296 27 HD3 PRO 3 HD2 PRO 3 3.690 3.763 -1.685 28 H ILE 4 HN ILE 4 2.432 6.832 -3.983 29 HA ILE 4 HA ILE 4 1.533 9.374 -4.324 30 HB ILE 4 HB ILE 4 1.522 7.227 -6.484 31 HG12 ILE 4 HG11 ILE 4 3.684 7.054 -5.383 32 HG13 ILE 4 HG12 ILE 4 3.852 7.883 -6.950 33 HG21 ILE 4 HG21 ILE 4 1.846 10.307 -6.556 34 HG22 ILE 4 HG22 ILE 4 2.090 9.208 -7.959 35 HG23 ILE 4 HG23 ILE 4 0.465 9.358 -7.215 36 HD11 ILE 4 HD1 ILE 4 3.993 10.117 -5.776 37 HD12 ILE 4 HD2 ILE 4 3.869 9.283 -4.184 38 HD13 ILE 4 HD3 ILE 4 5.283 8.983 -5.253 39 H LEU 5 HN LEU 5 -0.395 6.496 -5.427 40 HA LEU 5 HA LEU 5 -2.526 8.193 -6.162 41 HB2 LEU 5 HB1 LEU 5 -3.743 6.208 -6.822 42 HB3 LEU 5 HB2 LEU 5 -2.061 6.198 -7.403 43 HG LEU 5 HG LEU 5 -1.534 4.652 -5.351 44 HD11 LEU 5 HD11 LEU 5 -4.598 4.271 -5.539 45 HD12 LEU 5 HD12 LEU 5 -3.682 4.801 -4.075 46 HD13 LEU 5 HD13 LEU 5 -3.456 3.144 -4.721 47 HD21 LEU 5 HD21 LEU 5 -3.279 3.698 -7.708 48 HD22 LEU 5 HD22 LEU 5 -2.199 2.663 -6.708 49 HD23 LEU 5 HD23 LEU 5 -1.496 3.961 -7.745 50 H ALA 6 HN ALA 6 -1.784 6.839 -3.032 51 HA ALA 6 HA ALA 6 -4.400 6.929 -1.961 52 HB1 ALA 6 HB1 ALA 6 -1.688 7.466 -0.598 53 HB2 ALA 6 HB2 ALA 6 -3.234 7.073 0.241 54 HB3 ALA 6 HB3 ALA 6 -2.445 5.848 -0.815 55 H SER 7 HN SER 7 -1.902 9.442 -2.376 56 HA SER 7 HA SER 7 -3.365 11.574 -1.190 57 HB2 SER 7 HB1 SER 7 -1.178 11.687 -3.354 58 HB3 SER 7 HB2 SER 7 -1.837 13.102 -2.461 59 HG SER 7 HG1 SER 7 -0.340 10.926 -1.431 60 H LEU 8 HN LEU 8 -3.172 10.359 -4.551 61 HA LEU 8 HA LEU 8 -4.865 12.293 -5.707 62 HB2 LEU 8 HB1 LEU 8 -3.303 10.667 -6.912 63 HB3 LEU 8 HB2 LEU 8 -4.452 9.356 -6.514 64 HG LEU 8 HG LEU 8 -6.239 10.666 -7.831 65 HD11 LEU 8 HD11 LEU 8 -5.428 12.321 -9.504 66 HD12 LEU 8 HD12 LEU 8 -3.765 12.231 -8.825 67 HD13 LEU 8 HD13 LEU 8 -5.109 12.925 -7.840 68 HD21 LEU 8 HD21 LEU 8 -5.062 8.659 -8.731 69 HD22 LEU 8 HD22 LEU 8 -3.728 9.710 -9.344 70 HD23 LEU 8 HD23 LEU 8 -5.386 9.869 -10.025 71 H ALA 9 HN ALA 9 -5.648 9.017 -4.382 72 HA ALA 9 HA ALA 9 -8.377 9.053 -4.813 73 HB1 ALA 9 HB1 ALA 9 -6.753 7.735 -2.549 74 HB2 ALA 9 HB2 ALA 9 -8.421 7.256 -3.053 75 HB3 ALA 9 HB3 ALA 9 -7.032 7.033 -4.179 76 H ALA 10 HN ALA 10 -6.517 10.404 -2.074 77 HA ALA 10 HA ALA 10 -8.771 11.195 -0.584 78 HB1 ALA 10 HB1 ALA 10 -7.123 12.538 0.709 79 HB2 ALA 10 HB2 ALA 10 -6.463 10.910 0.332 80 HB3 ALA 10 HB3 ALA 10 -5.910 12.323 -0.624 81 H LYS 11 HN LYS 11 -7.665 12.582 -3.597 82 HA LYS 11 HA LYS 11 -9.386 14.949 -2.997 83 HB2 LYS 11 HB1 LYS 11 -7.054 14.591 -4.944 84 HB3 LYS 11 HB2 LYS 11 -8.326 15.810 -5.232 85 HG2 LYS 11 HG1 LYS 11 -6.589 17.005 -4.220 86 HG3 LYS 11 HG2 LYS 11 -7.892 16.862 -3.018 87 HD2 LYS 11 HD1 LYS 11 -6.139 14.603 -2.544 88 HD3 LYS 11 HD2 LYS 11 -5.045 15.911 -3.002 89 HE2 LYS 11 HE1 LYS 11 -5.349 15.724 -0.521 90 HE3 LYS 11 HE2 LYS 11 -5.888 17.340 -1.128 91 HZ1 LYS 11 HZ1 LYS 11 -7.780 15.068 -0.749 92 HZ2 LYS 11 HZ2 LYS 11 -8.126 16.685 -0.965 93 HZ3 LYS 11 HZ3 LYS 11 -7.413 16.159 0.486 94 H PHE 12 HN PHE 12 -8.914 12.200 -5.259 95 HA PHE 12 HA PHE 12 -11.259 13.162 -6.767 96 HB2 PHE 12 HB1 PHE 12 -8.926 11.257 -7.403 97 HB3 PHE 12 HB2 PHE 12 -10.376 11.400 -8.465 98 HD1 PHE 12 HD1 PHE 12 -7.407 13.225 -7.162 99 HD2 PHE 12 HD2 PHE 12 -10.826 13.354 -9.756 100 HE1 PHE 12 HE1 PHE 12 -6.481 15.233 -8.284 101 HE2 PHE 12 HE2 PHE 12 -9.899 15.353 -10.881 102 HZ PHE 12 HZ PHE 12 -7.728 16.295 -10.148 103 H GLY 13 HN GLY 13 -10.689 10.924 -4.293 104 HA2 GLY 13 HA1 GLY 13 -12.967 9.257 -5.205 105 HA3 GLY 13 HA2 GLY 13 -11.630 8.767 -4.122 106 HA PRO 14 HA PRO 14 -13.921 11.311 -0.991 107 HB2 PRO 14 HB1 PRO 14 -16.081 12.993 -1.569 108 HB3 PRO 14 HB2 PRO 14 -14.363 13.517 -1.733 109 HG2 PRO 14 HG1 PRO 14 -16.177 12.421 -3.957 110 HG3 PRO 14 HG2 PRO 14 -15.190 13.939 -3.968 111 HD2 PRO 14 HD1 PRO 14 -14.221 11.616 -5.084 112 HD3 PRO 14 HD2 PRO 14 -13.130 12.716 -4.135 113 H LYS 15 HN LYS 15 -15.856 9.986 -3.538 114 HA LYS 15 HA LYS 15 -18.071 8.978 -2.174 115 HB2 LYS 15 HB1 LYS 15 -17.772 9.063 -4.644 116 HB3 LYS 15 HB2 LYS 15 -16.418 7.894 -4.539 117 HG2 LYS 15 HG1 LYS 15 -18.015 6.095 -3.822 118 HG3 LYS 15 HG2 LYS 15 -19.337 7.293 -3.755 119 HD2 LYS 15 HD1 LYS 15 -19.586 6.024 -5.788 120 HD3 LYS 15 HD2 LYS 15 -19.129 7.706 -6.211 121 HE2 LYS 15 HE1 LYS 15 -16.744 6.934 -6.640 122 HE3 LYS 15 HE2 LYS 15 -17.230 5.248 -6.207 123 HZ1 LYS 15 HZ1 LYS 15 -18.796 5.293 -8.056 124 HZ2 LYS 15 HZ2 LYS 15 -17.223 5.612 -8.589 125 HZ3 LYS 15 HZ3 LYS 15 -18.339 6.873 -8.455 126 H LEU 16 HN LEU 16 -14.781 7.502 -2.532 127 HA LEU 16 HA LEU 16 -15.521 5.223 -0.890 128 HB2 LEU 16 HB1 LEU 16 -12.808 6.267 -1.900 129 HB3 LEU 16 HB2 LEU 16 -13.043 4.727 -1.016 130 HG LEU 16 HG LEU 16 -14.287 5.383 -3.751 131 HD11 LEU 16 HD11 LEU 16 -11.797 5.220 -3.863 132 HD12 LEU 16 HD12 LEU 16 -12.576 3.799 -4.656 133 HD13 LEU 16 HD13 LEU 16 -11.858 3.632 -3.015 134 HD21 LEU 16 HD21 LEU 16 -14.152 2.755 -2.133 135 HD22 LEU 16 HD22 LEU 16 -14.737 2.899 -3.826 136 HD23 LEU 16 HD23 LEU 16 -15.645 3.700 -2.491 137 H PHE 17 HN PHE 17 -13.714 8.278 -0.551 138 HA PHE 17 HA PHE 17 -12.556 7.759 1.877 139 HB2 PHE 17 HB1 PHE 17 -12.220 9.665 0.049 140 HB3 PHE 17 HB2 PHE 17 -13.374 10.608 1.053 141 HD1 PHE 17 HD1 PHE 17 -12.702 11.261 3.370 142 HD2 PHE 17 HD2 PHE 17 -10.034 9.077 0.804 143 HE1 PHE 17 HE1 PHE 17 -10.805 11.828 4.856 144 HE2 PHE 17 HE2 PHE 17 -8.136 9.649 2.289 145 HZ PHE 17 HZ PHE 17 -8.521 11.027 4.316 146 HN2 ABA 18 HN AGL 18 -15.719 9.461 1.341 147 HA ABA 18 HA AGL 18 -16.168 9.855 4.098 148 HB3 ABA 18 HB2 AGL 18 -18.731 9.588 2.682 149 HB2 ABA 18 HB1 AGL 18 -17.582 10.365 1.589 150 HG3 ABA 18 HG AGL 18 -17.140 12.223 3.183 151 H LEU 19 HN LEU 19 -17.041 7.084 1.996 152 HA LEU 19 HA LEU 19 -18.621 5.796 3.957 153 HB2 LEU 19 HB1 LEU 19 -17.124 4.698 1.519 154 HB3 LEU 19 HB2 LEU 19 -18.263 3.735 2.514 155 HG LEU 19 HG LEU 19 -19.018 6.267 0.949 156 HD11 LEU 19 HD11 LEU 19 -18.401 4.379 -0.551 157 HD12 LEU 19 HD12 LEU 19 -20.175 4.699 -0.602 158 HD13 LEU 19 HD13 LEU 19 -19.542 3.290 0.331 159 HD21 LEU 19 HD21 LEU 19 -21.382 5.512 1.382 160 HD22 LEU 19 HD22 LEU 19 -20.531 5.939 2.907 161 HD23 LEU 19 HD23 LEU 19 -20.761 4.206 2.454 162 H VAL 20 HN VAL 20 -15.094 5.325 3.158 163 HA VAL 20 HA VAL 20 -14.813 3.340 5.151 164 HB VAL 20 HB VAL 20 -13.302 3.561 3.248 165 HG11 VAL 20 HG11 VAL 20 -12.996 6.063 3.261 166 HG12 VAL 20 HG12 VAL 20 -12.040 5.931 4.790 167 HG13 VAL 20 HG13 VAL 20 -11.434 5.170 3.283 168 HG21 VAL 20 HG21 VAL 20 -11.921 3.632 6.016 169 HG22 VAL 20 HG22 VAL 20 -12.734 2.199 5.278 170 HG23 VAL 20 HG23 VAL 20 -11.270 2.908 4.506 171 H THR 21 HN THR 21 -14.333 6.853 5.295 172 HA THR 21 HA THR 21 -13.491 7.055 7.956 173 HB THR 21 HB THR 21 -15.209 9.111 6.488 174 HG1 THR 21 HG1 THR 21 -13.418 8.787 5.273 175 HG21 THR 21 HG21 THR 21 -13.114 9.275 8.777 176 HG22 THR 21 HG22 THR 21 -14.877 9.553 8.988 177 HG23 THR 21 HG23 THR 21 -13.897 10.689 7.989 178 H LYS 22 HN LYS 22 -16.695 6.631 6.584 179 HA LYS 22 HA LYS 22 -18.750 6.579 7.259 180 HB2 LYS 22 HB1 LYS 22 -17.722 5.721 9.998 181 HB3 LYS 22 HB2 LYS 22 -19.329 5.358 9.322 182 HG2 LYS 22 HG1 LYS 22 -18.517 3.729 7.813 183 HG3 LYS 22 HG2 LYS 22 -16.848 4.314 7.836 184 HD2 LYS 22 HD1 LYS 22 -18.262 2.791 10.093 185 HD3 LYS 22 HD2 LYS 22 -16.980 2.201 8.998 186 HE2 LYS 22 HE1 LYS 22 -16.733 4.163 11.352 187 HE3 LYS 22 HE2 LYS 22 -15.857 2.614 11.059 188 HZ1 LYS 22 HZ1 LYS 22 -14.931 3.917 9.004 189 HZ2 LYS 22 HZ2 LYS 22 -14.322 4.259 10.549 190 HZ3 LYS 22 HZ3 LYS 22 -15.461 5.268 9.825 191 H LYS 23 HN LYS 23 -17.207 9.167 7.960 192 HA LYS 23 HA LYS 23 -18.976 10.145 10.109 193 HB2 LYS 23 HB1 LYS 23 -16.496 10.464 10.156 194 HB3 LYS 23 HB2 LYS 23 -16.612 11.570 8.759 195 HG2 LYS 23 HG1 LYS 23 -18.258 12.018 11.317 196 HG3 LYS 23 HG2 LYS 23 -16.521 12.398 11.327 197 HD2 LYS 23 HD1 LYS 23 -16.657 14.238 9.994 198 HD3 LYS 23 HD2 LYS 23 -17.958 13.591 8.976 199 HE2 LYS 23 HE1 LYS 23 -18.347 14.799 11.807 200 HE3 LYS 23 HE2 LYS 23 -18.739 15.579 10.220 201 HZ1 LYS 23 HZ1 LYS 23 -20.098 13.408 9.891 202 HZ2 LYS 23 HZ2 LYS 23 -20.750 14.670 10.818 203 HZ3 LYS 23 HZ3 LYS 23 -20.067 13.311 11.567 204 HN2 ABA 24 HN AGL 24 -19.053 9.921 6.721 205 HA ABA 24 HA AGL 24 -20.539 12.389 6.289 206 HB3 ABA 24 HB2 AGL 24 -20.981 11.307 3.988 207 HB2 ABA 24 HB1 AGL 24 -19.950 9.940 4.518 208 HG3 ABA 24 HG AGL 24 -18.891 12.867 4.652 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 1.880 0.699 0.638 2 HA PHE 1 HA PHE 1 3.527 -0.141 -1.581 3 HB2 PHE 1 HB1 PHE 1 0.829 -1.356 -0.824 4 HB3 PHE 1 HB2 PHE 1 1.158 -1.090 -2.572 5 HD1 PHE 1 HD1 PHE 1 1.983 -2.882 -3.707 6 HD2 PHE 1 HD2 PHE 1 3.040 -2.476 0.439 7 HE1 PHE 1 HE1 PHE 1 3.259 -4.997 -3.825 8 HE2 PHE 1 HE2 PHE 1 4.326 -4.579 0.317 9 HZ PHE 1 HZ PHE 1 4.440 -5.849 -1.809 10 H LEU 2 HN LEU 2 3.191 1.011 -3.432 11 HA LEU 2 HA LEU 2 2.755 2.831 -4.639 12 HB2 LEU 2 HB1 LEU 2 -0.082 1.967 -3.970 13 HB3 LEU 2 HB2 LEU 2 0.410 2.874 -5.432 14 HG LEU 2 HG LEU 2 1.363 0.026 -4.734 15 HD11 LEU 2 HD11 LEU 2 -1.097 0.123 -5.138 16 HD12 LEU 2 HD12 LEU 2 -0.226 -0.760 -6.446 17 HD13 LEU 2 HD13 LEU 2 -0.802 0.922 -6.727 18 HD21 LEU 2 HD21 LEU 2 1.593 1.671 -7.340 19 HD22 LEU 2 HD22 LEU 2 2.067 -0.051 -7.140 20 HD23 LEU 2 HD23 LEU 2 2.968 1.232 -6.252 21 HA PRO 3 HA PRO 3 1.249 5.321 -0.964 22 HB2 PRO 3 HB1 PRO 3 3.418 7.024 -0.326 23 HB3 PRO 3 HB2 PRO 3 3.256 5.320 0.237 24 HG2 PRO 3 HG1 PRO 3 4.777 6.304 -2.244 25 HG3 PRO 3 HG2 PRO 3 5.388 5.232 -0.910 26 HD2 PRO 3 HD1 PRO 3 4.435 4.103 -3.223 27 HD3 PRO 3 HD2 PRO 3 3.940 3.412 -1.609 28 H ILE 4 HN ILE 4 2.788 6.740 -3.745 29 HA ILE 4 HA ILE 4 1.901 9.317 -3.822 30 HB ILE 4 HB ILE 4 1.996 7.387 -6.174 31 HG12 ILE 4 HG11 ILE 4 4.125 9.242 -4.932 32 HG13 ILE 4 HG12 ILE 4 4.133 7.451 -4.850 33 HG21 ILE 4 HG21 ILE 4 2.093 10.487 -6.015 34 HG22 ILE 4 HG22 ILE 4 2.308 9.513 -7.513 35 HG23 ILE 4 HG23 ILE 4 0.730 9.519 -6.684 36 HD11 ILE 4 HD1 ILE 4 4.297 7.364 -7.391 37 HD12 ILE 4 HD2 ILE 4 4.453 9.156 -7.404 38 HD13 ILE 4 HD3 ILE 4 5.707 8.165 -6.589 39 H LEU 5 HN LEU 5 -0.047 6.561 -5.145 40 HA LEU 5 HA LEU 5 -2.073 8.323 -5.940 41 HB2 LEU 5 HB1 LEU 5 -3.299 6.402 -6.724 42 HB3 LEU 5 HB2 LEU 5 -1.572 6.280 -7.138 43 HG LEU 5 HG LEU 5 -1.390 4.754 -4.978 44 HD11 LEU 5 HD11 LEU 5 -4.401 4.502 -5.630 45 HD12 LEU 5 HD12 LEU 5 -3.703 5.043 -4.059 46 HD13 LEU 5 HD13 LEU 5 -3.453 3.356 -4.614 47 HD21 LEU 5 HD21 LEU 5 -2.782 3.856 -7.580 48 HD22 LEU 5 HD22 LEU 5 -1.934 2.778 -6.412 49 HD23 LEU 5 HD23 LEU 5 -1.004 4.027 -7.324 50 H ALA 6 HN ALA 6 -1.549 7.080 -2.757 51 HA ALA 6 HA ALA 6 -4.206 6.965 -1.852 52 HB1 ALA 6 HB1 ALA 6 -3.167 7.333 0.409 53 HB2 ALA 6 HB2 ALA 6 -2.235 6.132 -0.553 54 HB3 ALA 6 HB3 ALA 6 -1.623 7.814 -0.393 55 H SER 7 HN SER 7 -1.980 9.735 -2.191 56 HA SER 7 HA SER 7 -3.723 11.710 -1.100 57 HB2 SER 7 HB1 SER 7 -1.447 12.008 -3.159 58 HB3 SER 7 HB2 SER 7 -2.285 13.373 -2.333 59 HG SER 7 HG1 SER 7 -0.646 11.370 -1.166 60 H LEU 8 HN LEU 8 -3.226 10.488 -4.404 61 HA LEU 8 HA LEU 8 -4.961 12.280 -5.741 62 HB2 LEU 8 HB1 LEU 8 -3.158 10.903 -6.819 63 HB3 LEU 8 HB2 LEU 8 -4.032 9.413 -6.360 64 HG LEU 8 HG LEU 8 -5.933 10.082 -7.873 65 HD11 LEU 8 HD11 LEU 8 -5.549 11.832 -9.598 66 HD12 LEU 8 HD12 LEU 8 -3.980 12.280 -8.833 67 HD13 LEU 8 HD13 LEU 8 -5.530 12.562 -7.951 68 HD21 LEU 8 HD21 LEU 8 -4.734 9.483 -9.964 69 HD22 LEU 8 HD22 LEU 8 -4.135 8.496 -8.581 70 HD23 LEU 8 HD23 LEU 8 -3.155 9.882 -9.197 71 H ALA 9 HN ALA 9 -5.492 8.953 -4.457 72 HA ALA 9 HA ALA 9 -8.168 8.724 -5.156 73 HB1 ALA 9 HB1 ALA 9 -6.571 7.423 -2.865 74 HB2 ALA 9 HB2 ALA 9 -8.138 6.811 -3.527 75 HB3 ALA 9 HB3 ALA 9 -6.659 6.819 -4.555 76 H ALA 10 HN ALA 10 -6.742 9.925 -2.032 77 HA ALA 10 HA ALA 10 -9.221 10.306 -0.781 78 HB1 ALA 10 HB1 ALA 10 -7.006 10.285 0.387 79 HB2 ALA 10 HB2 ALA 10 -6.560 11.823 -0.429 80 HB3 ALA 10 HB3 ALA 10 -7.920 11.789 0.763 81 H LYS 11 HN LYS 11 -7.289 12.643 -2.743 82 HA LYS 11 HA LYS 11 -9.176 14.734 -2.391 83 HB2 LYS 11 HB1 LYS 11 -6.767 15.109 -2.915 84 HB3 LYS 11 HB2 LYS 11 -7.010 14.365 -4.520 85 HG2 LYS 11 HG1 LYS 11 -8.762 16.179 -4.994 86 HG3 LYS 11 HG2 LYS 11 -8.309 16.971 -3.457 87 HD2 LYS 11 HD1 LYS 11 -6.081 17.479 -4.263 88 HD3 LYS 11 HD2 LYS 11 -6.211 16.328 -5.618 89 HE2 LYS 11 HE1 LYS 11 -7.775 18.992 -5.349 90 HE3 LYS 11 HE2 LYS 11 -6.395 18.654 -6.471 91 HZ1 LYS 11 HZ1 LYS 11 -7.783 16.887 -7.461 92 HZ2 LYS 11 HZ2 LYS 11 -8.475 18.421 -7.635 93 HZ3 LYS 11 HZ3 LYS 11 -9.067 17.327 -6.478 94 H PHE 12 HN PHE 12 -8.785 12.379 -5.130 95 HA PHE 12 HA PHE 12 -11.001 13.774 -6.498 96 HB2 PHE 12 HB1 PHE 12 -8.861 11.791 -7.456 97 HB3 PHE 12 HB2 PHE 12 -10.251 12.301 -8.468 98 HD1 PHE 12 HD1 PHE 12 -7.163 13.531 -6.774 99 HD2 PHE 12 HD2 PHE 12 -10.295 14.382 -9.570 100 HE1 PHE 12 HE1 PHE 12 -5.764 15.305 -7.790 101 HE2 PHE 12 HE2 PHE 12 -8.936 16.196 -10.555 102 HZ PHE 12 HZ PHE 12 -6.641 16.625 -9.712 103 H GLY 13 HN GLY 13 -10.656 11.088 -4.434 104 HA2 GLY 13 HA1 GLY 13 -13.155 9.932 -5.539 105 HA3 GLY 13 HA2 GLY 13 -11.820 9.016 -4.766 106 HA PRO 14 HA PRO 14 -13.273 11.193 -0.986 107 HB2 PRO 14 HB1 PRO 14 -15.241 13.181 -0.894 108 HB3 PRO 14 HB2 PRO 14 -13.543 13.517 -1.408 109 HG2 PRO 14 HG1 PRO 14 -15.918 12.867 -3.257 110 HG3 PRO 14 HG2 PRO 14 -14.815 14.307 -3.330 111 HD2 PRO 14 HD1 PRO 14 -14.285 12.104 -4.880 112 HD3 PRO 14 HD2 PRO 14 -12.938 12.945 -3.991 113 H LYS 15 HN LYS 15 -15.573 10.080 -3.197 114 HA LYS 15 HA LYS 15 -17.747 9.372 -1.548 115 HB2 LYS 15 HB1 LYS 15 -17.618 9.446 -4.081 116 HB3 LYS 15 HB2 LYS 15 -16.607 7.973 -4.047 117 HG2 LYS 15 HG1 LYS 15 -18.538 6.690 -3.064 118 HG3 LYS 15 HG2 LYS 15 -19.507 8.199 -3.011 119 HD2 LYS 15 HD1 LYS 15 -19.217 8.443 -5.510 120 HD3 LYS 15 HD2 LYS 15 -18.344 6.876 -5.544 121 HE2 LYS 15 HE1 LYS 15 -20.429 5.694 -4.748 122 HE3 LYS 15 HE2 LYS 15 -21.299 7.280 -4.685 123 HZ1 LYS 15 HZ1 LYS 15 -20.888 7.531 -7.057 124 HZ2 LYS 15 HZ2 LYS 15 -21.735 6.098 -6.746 125 HZ3 LYS 15 HZ3 LYS 15 -20.083 6.048 -7.117 126 H LEU 16 HN LEU 16 -14.680 7.596 -2.308 127 HA LEU 16 HA LEU 16 -15.326 5.360 -0.624 128 HB2 LEU 16 HB1 LEU 16 -12.708 6.431 -1.824 129 HB3 LEU 16 HB2 LEU 16 -12.768 4.972 -0.790 130 HG LEU 16 HG LEU 16 -14.289 5.258 -3.439 131 HD11 LEU 16 HD11 LEU 16 -12.538 3.708 -4.337 132 HD12 LEU 16 HD12 LEU 16 -11.665 3.778 -2.765 133 HD13 LEU 16 HD13 LEU 16 -11.811 5.262 -3.777 134 HD21 LEU 16 HD21 LEU 16 -14.515 2.746 -3.219 135 HD22 LEU 16 HD22 LEU 16 -15.380 3.612 -1.897 136 HD23 LEU 16 HD23 LEU 16 -13.782 2.839 -1.580 137 H PHE 17 HN PHE 17 -13.549 8.416 -0.203 138 HA PHE 17 HA PHE 17 -12.423 7.835 2.261 139 HB2 PHE 17 HB1 PHE 17 -12.163 9.825 0.432 140 HB3 PHE 17 HB2 PHE 17 -13.250 10.705 1.558 141 HD1 PHE 17 HD1 PHE 17 -12.181 11.840 3.353 142 HD2 PHE 17 HD2 PHE 17 -10.134 8.589 1.430 143 HE1 PHE 17 HE1 PHE 17 -10.130 12.366 4.640 144 HE2 PHE 17 HE2 PHE 17 -8.090 9.106 2.726 145 HZ PHE 17 HZ PHE 17 -8.084 11.000 4.328 146 HN2 ABA 18 HN AGL 18 -15.560 9.481 1.584 147 HA ABA 18 HA AGL 18 -16.312 9.719 4.276 148 HB3 ABA 18 HB2 AGL 18 -18.712 9.315 2.648 149 HB2 ABA 18 HB1 AGL 18 -17.521 10.110 1.611 150 HG3 ABA 18 HG AGL 18 -17.275 12.031 3.188 151 H LEU 19 HN LEU 19 -16.772 6.953 2.055 152 HA LEU 19 HA LEU 19 -18.402 5.473 3.835 153 HB2 LEU 19 HB1 LEU 19 -16.594 4.651 1.508 154 HB3 LEU 19 HB2 LEU 19 -17.610 3.476 2.401 155 HG LEU 19 HG LEU 19 -18.756 5.933 0.970 156 HD11 LEU 19 HD11 LEU 19 -17.631 4.441 -0.668 157 HD12 LEU 19 HD12 LEU 19 -19.426 4.341 -0.840 158 HD13 LEU 19 HD13 LEU 19 -18.522 3.016 -0.008 159 HD21 LEU 19 HD21 LEU 19 -20.071 3.363 2.070 160 HD22 LEU 19 HD22 LEU 19 -20.913 4.648 1.127 161 HD23 LEU 19 HD23 LEU 19 -20.247 5.020 2.758 162 H VAL 20 HN VAL 20 -14.773 5.378 3.397 163 HA VAL 20 HA VAL 20 -14.538 3.314 5.316 164 HB VAL 20 HB VAL 20 -12.152 3.726 5.411 165 HG11 VAL 20 HG11 VAL 20 -13.341 3.773 2.555 166 HG12 VAL 20 HG12 VAL 20 -11.724 3.155 3.037 167 HG13 VAL 20 HG13 VAL 20 -13.210 2.319 3.618 168 HG21 VAL 20 HG21 VAL 20 -12.065 6.231 5.207 169 HG22 VAL 20 HG22 VAL 20 -11.126 5.446 3.894 170 HG23 VAL 20 HG23 VAL 20 -12.756 6.117 3.543 171 H THR 21 HN THR 21 -14.248 6.885 5.749 172 HA THR 21 HA THR 21 -13.776 6.750 8.512 173 HB THR 21 HB THR 21 -15.205 9.009 7.055 174 HG1 THR 21 HG1 THR 21 -12.442 8.747 7.576 175 HG21 THR 21 HG21 THR 21 -14.107 10.402 8.854 176 HG22 THR 21 HG22 THR 21 -13.414 8.920 9.602 177 HG23 THR 21 HG23 THR 21 -15.191 9.183 9.611 178 H LYS 22 HN LYS 22 -16.710 6.386 6.660 179 HA LYS 22 HA LYS 22 -18.847 6.261 7.019 180 HB2 LYS 22 HB1 LYS 22 -18.191 5.334 9.849 181 HB3 LYS 22 HB2 LYS 22 -19.686 4.969 8.953 182 HG2 LYS 22 HG1 LYS 22 -18.642 3.415 7.504 183 HG3 LYS 22 HG2 LYS 22 -17.005 4.027 7.779 184 HD2 LYS 22 HD1 LYS 22 -18.676 2.398 9.773 185 HD3 LYS 22 HD2 LYS 22 -17.263 1.859 8.826 186 HE2 LYS 22 HE1 LYS 22 -17.331 3.734 11.259 187 HE3 LYS 22 HE2 LYS 22 -16.395 2.212 11.016 188 HZ1 LYS 22 HZ1 LYS 22 -15.920 4.919 9.935 189 HZ2 LYS 22 HZ2 LYS 22 -15.262 3.609 9.132 190 HZ3 LYS 22 HZ3 LYS 22 -14.847 3.904 10.751 191 H LYS 23 HN LYS 23 -17.525 8.855 7.942 192 HA LYS 23 HA LYS 23 -19.503 9.742 9.939 193 HB2 LYS 23 HB1 LYS 23 -17.083 10.092 10.300 194 HB3 LYS 23 HB2 LYS 23 -16.991 11.152 8.866 195 HG2 LYS 23 HG1 LYS 23 -19.006 11.764 11.083 196 HG3 LYS 23 HG2 LYS 23 -17.281 12.033 11.440 197 HD2 LYS 23 HD1 LYS 23 -16.991 13.774 9.958 198 HD3 LYS 23 HD2 LYS 23 -18.237 13.210 8.824 199 HE2 LYS 23 HE1 LYS 23 -18.819 14.588 11.539 200 HE3 LYS 23 HE2 LYS 23 -18.913 15.341 9.896 201 HZ1 LYS 23 HZ1 LYS 23 -20.701 13.400 11.169 202 HZ2 LYS 23 HZ2 LYS 23 -20.433 13.220 9.522 203 HZ3 LYS 23 HZ3 LYS 23 -21.054 14.685 10.113 204 HN2 ABA 24 HN AGL 24 -19.355 9.567 6.582 205 HA ABA 24 HA AGL 24 -20.838 12.039 6.097 206 HB3 ABA 24 HB2 AGL 24 -21.138 10.988 3.758 207 HB2 ABA 24 HB1 AGL 24 -20.089 9.645 4.315 208 HG3 ABA 24 HG AGL 24 -19.158 12.620 4.516 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 -1.315 0.089 -1.989 2 HA PHE 1 HA PHE 1 0.939 -0.908 -2.198 3 HB2 PHE 1 HB1 PHE 1 -0.174 0.390 -4.783 4 HB3 PHE 1 HB2 PHE 1 0.946 -1.024 -4.728 5 HD1 PHE 1 HD1 PHE 1 0.120 -3.090 -3.344 6 HD2 PHE 1 HD2 PHE 1 -2.478 -0.001 -4.821 7 HE1 PHE 1 HE1 PHE 1 -1.809 -4.641 -3.201 8 HE2 PHE 1 HE2 PHE 1 -4.404 -1.553 -4.681 9 HZ PHE 1 HZ PHE 1 -4.070 -3.873 -3.874 10 H LEU 2 HN LEU 2 0.570 2.467 -3.224 11 HA LEU 2 HA LEU 2 3.405 2.875 -2.736 12 HB2 LEU 2 HB1 LEU 2 2.034 3.819 -5.336 13 HB3 LEU 2 HB2 LEU 2 3.617 4.411 -4.734 14 HG LEU 2 HG LEU 2 4.126 1.724 -4.746 15 HD11 LEU 2 HD11 LEU 2 3.245 0.732 -6.855 16 HD12 LEU 2 HD12 LEU 2 2.249 2.206 -7.158 17 HD13 LEU 2 HD13 LEU 2 1.891 1.149 -5.745 18 HD21 LEU 2 HD21 LEU 2 5.336 2.120 -6.885 19 HD22 LEU 2 HD22 LEU 2 5.547 3.500 -5.746 20 HD23 LEU 2 HD23 LEU 2 4.411 3.644 -7.145 21 HA PRO 3 HA PRO 3 1.199 5.906 -0.603 22 HB2 PRO 3 HB1 PRO 3 3.129 7.870 0.057 23 HB3 PRO 3 HB2 PRO 3 3.088 6.205 0.746 24 HG2 PRO 3 HG1 PRO 3 4.706 7.236 -1.661 25 HG3 PRO 3 HG2 PRO 3 5.330 6.290 -0.232 26 HD2 PRO 3 HD1 PRO 3 4.715 4.981 -2.560 27 HD3 PRO 3 HD2 PRO 3 4.218 4.277 -0.948 28 H ILE 4 HN ILE 4 2.869 7.208 -3.344 29 HA ILE 4 HA ILE 4 1.848 9.695 -3.745 30 HB ILE 4 HB ILE 4 2.266 7.634 -5.958 31 HG12 ILE 4 HG11 ILE 4 4.213 9.583 -4.616 32 HG13 ILE 4 HG12 ILE 4 4.240 7.812 -4.416 33 HG21 ILE 4 HG21 ILE 4 2.312 10.721 -5.931 34 HG22 ILE 4 HG22 ILE 4 2.634 9.690 -7.367 35 HG23 ILE 4 HG23 ILE 4 1.002 9.720 -6.659 36 HD11 ILE 4 HD1 ILE 4 4.794 9.344 -7.028 37 HD12 ILE 4 HD2 ILE 4 5.962 8.393 -6.050 38 HD13 ILE 4 HD3 ILE 4 4.624 7.557 -6.918 39 H LEU 5 HN LEU 5 0.296 6.832 -5.075 40 HA LEU 5 HA LEU 5 -1.967 8.188 -6.028 41 HB2 LEU 5 HB1 LEU 5 -2.895 5.984 -6.591 42 HB3 LEU 5 HB2 LEU 5 -1.167 6.169 -7.012 43 HG LEU 5 HG LEU 5 -0.741 5.014 -4.634 44 HD11 LEU 5 HD11 LEU 5 -3.539 3.932 -5.404 45 HD12 LEU 5 HD12 LEU 5 -3.154 4.874 -3.916 46 HD13 LEU 5 HD13 LEU 5 -2.434 3.242 -4.143 47 HD21 LEU 5 HD21 LEU 5 -1.679 3.461 -7.128 48 HD22 LEU 5 HD22 LEU 5 -0.650 2.821 -5.780 49 HD23 LEU 5 HD23 LEU 5 -0.022 4.130 -6.854 50 H ALA 6 HN ALA 6 -1.447 7.100 -2.757 51 HA ALA 6 HA ALA 6 -4.142 6.917 -1.954 52 HB1 ALA 6 HB1 ALA 6 -2.173 6.165 -0.594 53 HB2 ALA 6 HB2 ALA 6 -1.719 7.893 -0.349 54 HB3 ALA 6 HB3 ALA 6 -3.269 7.268 0.332 55 H SER 7 HN SER 7 -1.982 9.826 -2.017 56 HA SER 7 HA SER 7 -3.898 11.673 -1.128 57 HB2 SER 7 HB1 SER 7 -1.540 12.107 -3.046 58 HB3 SER 7 HB2 SER 7 -2.456 13.418 -2.204 59 HG SER 7 HG1 SER 7 -0.502 12.745 -1.123 60 H LEU 8 HN LEU 8 -3.132 10.518 -4.410 61 HA LEU 8 HA LEU 8 -4.906 12.222 -5.798 62 HB2 LEU 8 HB1 LEU 8 -2.944 10.864 -6.746 63 HB3 LEU 8 HB2 LEU 8 -3.946 9.402 -6.552 64 HG LEU 8 HG LEU 8 -5.667 10.502 -8.116 65 HD11 LEU 8 HD11 LEU 8 -3.320 12.440 -8.641 66 HD12 LEU 8 HD12 LEU 8 -4.901 12.891 -7.901 67 HD13 LEU 8 HD13 LEU 8 -4.829 12.326 -9.611 68 HD21 LEU 8 HD21 LEU 8 -2.844 9.965 -9.233 69 HD22 LEU 8 HD22 LEU 8 -4.382 9.936 -10.172 70 HD23 LEU 8 HD23 LEU 8 -4.102 8.719 -8.871 71 H ALA 9 HN ALA 9 -5.339 8.901 -4.506 72 HA ALA 9 HA ALA 9 -7.978 8.512 -5.298 73 HB1 ALA 9 HB1 ALA 9 -6.452 7.396 -2.865 74 HB2 ALA 9 HB2 ALA 9 -7.958 6.699 -3.568 75 HB3 ALA 9 HB3 ALA 9 -6.430 6.701 -4.519 76 H ALA 10 HN ALA 10 -6.742 9.981 -2.203 77 HA ALA 10 HA ALA 10 -9.307 10.437 -1.137 78 HB1 ALA 10 HB1 ALA 10 -8.124 12.111 0.314 79 HB2 ALA 10 HB2 ALA 10 -7.176 10.589 0.173 80 HB3 ALA 10 HB3 ALA 10 -6.693 12.030 -0.781 81 H LYS 11 HN LYS 11 -7.274 12.526 -3.218 82 HA LYS 11 HA LYS 11 -9.022 14.703 -3.312 83 HB2 LYS 11 HB1 LYS 11 -6.704 15.005 -3.813 84 HB3 LYS 11 HB2 LYS 11 -6.721 13.689 -5.019 85 HG2 LYS 11 HG1 LYS 11 -6.477 15.866 -6.133 86 HG3 LYS 11 HG2 LYS 11 -7.955 14.996 -6.617 87 HD2 LYS 11 HD1 LYS 11 -9.054 16.569 -4.650 88 HD3 LYS 11 HD2 LYS 11 -7.640 17.583 -5.011 89 HE2 LYS 11 HE1 LYS 11 -9.671 18.289 -6.316 90 HE3 LYS 11 HE2 LYS 11 -8.376 17.710 -7.440 91 HZ1 LYS 11 HZ1 LYS 11 -10.797 16.834 -7.703 92 HZ2 LYS 11 HZ2 LYS 11 -10.372 15.804 -6.427 93 HZ3 LYS 11 HZ3 LYS 11 -9.480 15.765 -7.854 94 H PHE 12 HN PHE 12 -8.905 11.887 -5.580 95 HA PHE 12 HA PHE 12 -11.229 13.087 -6.992 96 HB2 PHE 12 HB1 PHE 12 -9.077 11.068 -7.839 97 HB3 PHE 12 HB2 PHE 12 -10.582 11.331 -8.795 98 HD1 PHE 12 HD1 PHE 12 -7.297 12.654 -8.031 99 HD2 PHE 12 HD2 PHE 12 -11.151 13.598 -9.654 100 HE1 PHE 12 HE1 PHE 12 -6.325 14.627 -9.186 101 HE2 PHE 12 HE2 PHE 12 -10.186 15.565 -10.819 102 HZ PHE 12 HZ PHE 12 -7.772 16.083 -10.576 103 H GLY 13 HN GLY 13 -10.742 10.718 -4.603 104 HA2 GLY 13 HA1 GLY 13 -13.151 9.262 -5.537 105 HA3 GLY 13 HA2 GLY 13 -11.768 8.594 -4.625 106 HA PRO 14 HA PRO 14 -13.706 10.938 -1.154 107 HB2 PRO 14 HB1 PRO 14 -15.877 12.688 -1.402 108 HB3 PRO 14 HB2 PRO 14 -14.181 13.179 -1.767 109 HG2 PRO 14 HG1 PRO 14 -16.270 12.161 -3.782 110 HG3 PRO 14 HG2 PRO 14 -15.306 13.694 -3.862 111 HD2 PRO 14 HD1 PRO 14 -14.430 11.448 -5.180 112 HD3 PRO 14 HD2 PRO 14 -13.250 12.478 -4.254 113 H LYS 15 HN LYS 15 -15.641 9.348 -3.428 114 HA LYS 15 HA LYS 15 -17.840 8.483 -1.863 115 HB2 LYS 15 HB1 LYS 15 -17.546 8.153 -4.376 116 HB3 LYS 15 HB2 LYS 15 -16.244 6.962 -4.021 117 HG2 LYS 15 HG1 LYS 15 -18.048 5.662 -2.653 118 HG3 LYS 15 HG2 LYS 15 -19.266 6.698 -3.423 119 HD2 LYS 15 HD1 LYS 15 -17.238 4.847 -4.900 120 HD3 LYS 15 HD2 LYS 15 -18.868 4.386 -4.373 121 HE2 LYS 15 HE1 LYS 15 -19.197 4.796 -6.647 122 HE3 LYS 15 HE2 LYS 15 -19.832 6.288 -5.854 123 HZ1 LYS 15 HZ1 LYS 15 -17.697 7.346 -6.358 124 HZ2 LYS 15 HZ2 LYS 15 -18.461 6.783 -7.766 125 HZ3 LYS 15 HZ3 LYS 15 -17.151 5.930 -7.121 126 H LEU 16 HN LEU 16 -14.470 7.195 -2.163 127 HA LEU 16 HA LEU 16 -14.928 5.020 -0.356 128 HB2 LEU 16 HB1 LEU 16 -12.347 6.367 -1.349 129 HB3 LEU 16 HB2 LEU 16 -12.408 4.849 -0.397 130 HG LEU 16 HG LEU 16 -13.618 5.232 -3.201 131 HD11 LEU 16 HD11 LEU 16 -11.720 3.793 -3.956 132 HD12 LEU 16 HD12 LEU 16 -11.064 3.768 -2.279 133 HD13 LEU 16 HD13 LEU 16 -11.121 5.318 -3.199 134 HD21 LEU 16 HD21 LEU 16 -13.807 2.712 -3.171 135 HD22 LEU 16 HD22 LEU 16 -14.861 3.477 -1.925 136 HD23 LEU 16 HD23 LEU 16 -13.300 2.709 -1.445 137 H PHE 17 HN PHE 17 -13.623 8.322 -0.073 138 HA PHE 17 HA PHE 17 -12.658 8.119 2.515 139 HB2 PHE 17 HB1 PHE 17 -12.496 9.985 0.569 140 HB3 PHE 17 HB2 PHE 17 -13.812 10.772 1.508 141 HD1 PHE 17 HD1 PHE 17 -13.335 11.104 4.077 142 HD2 PHE 17 HD2 PHE 17 -10.280 10.140 1.207 143 HE1 PHE 17 HE1 PHE 17 -11.608 11.941 5.632 144 HE2 PHE 17 HE2 PHE 17 -8.551 10.981 2.768 145 HZ PHE 17 HZ PHE 17 -9.213 11.888 4.980 146 HN2 ABA 18 HN AGL 18 -15.945 9.143 1.436 147 HA ABA 18 HA AGL 18 -17.029 9.581 3.982 148 HB3 ABA 18 HB2 AGL 18 -18.214 8.670 1.303 149 HB2 ABA 18 HB1 AGL 18 -18.131 10.329 1.923 150 HG3 ABA 18 HG AGL 18 -20.137 8.119 2.620 151 H LEU 19 HN LEU 19 -16.798 6.490 2.121 152 HA LEU 19 HA LEU 19 -18.257 4.999 4.041 153 HB2 LEU 19 HB1 LEU 19 -16.279 4.152 1.864 154 HB3 LEU 19 HB2 LEU 19 -17.275 2.999 2.809 155 HG LEU 19 HG LEU 19 -18.441 5.232 1.050 156 HD11 LEU 19 HD11 LEU 19 -18.958 3.423 -0.586 157 HD12 LEU 19 HD12 LEU 19 -18.081 2.232 0.447 158 HD13 LEU 19 HD13 LEU 19 -17.179 3.591 -0.325 159 HD21 LEU 19 HD21 LEU 19 -20.565 3.906 1.242 160 HD22 LEU 19 HD22 LEU 19 -20.013 4.512 2.843 161 HD23 LEU 19 HD23 LEU 19 -19.753 2.785 2.395 162 H VAL 20 HN VAL 20 -14.653 5.371 3.645 163 HA VAL 20 HA VAL 20 -14.173 3.541 5.754 164 HB VAL 20 HB VAL 20 -11.859 4.219 5.764 165 HG11 VAL 20 HG11 VAL 20 -12.760 2.570 4.095 166 HG12 VAL 20 HG12 VAL 20 -13.043 3.913 2.924 167 HG13 VAL 20 HG13 VAL 20 -11.370 3.511 3.442 168 HG21 VAL 20 HG21 VAL 20 -12.753 6.402 3.766 169 HG22 VAL 20 HG22 VAL 20 -12.025 6.681 5.390 170 HG23 VAL 20 HG23 VAL 20 -11.048 5.927 4.088 171 H THR 21 HN THR 21 -14.360 7.143 5.832 172 HA THR 21 HA THR 21 -13.787 7.163 8.646 173 HB THR 21 HB THR 21 -14.970 9.433 6.991 174 HG1 THR 21 HG1 THR 21 -12.248 8.861 7.480 175 HG21 THR 21 HG21 THR 21 -13.147 9.363 9.515 176 HG22 THR 21 HG22 THR 21 -14.878 9.857 9.502 177 HG23 THR 21 HG23 THR 21 -13.658 10.844 8.628 178 H LYS 22 HN LYS 22 -16.587 6.507 6.842 179 HA LYS 22 HA LYS 22 -18.747 6.322 7.158 180 HB2 LYS 22 HB1 LYS 22 -17.918 5.899 10.080 181 HB3 LYS 22 HB2 LYS 22 -19.461 5.347 9.381 182 HG2 LYS 22 HG1 LYS 22 -18.494 3.606 8.150 183 HG3 LYS 22 HG2 LYS 22 -16.867 4.330 8.113 184 HD2 LYS 22 HD1 LYS 22 -18.142 3.301 10.705 185 HD3 LYS 22 HD2 LYS 22 -17.122 2.301 9.608 186 HE2 LYS 22 HE1 LYS 22 -15.204 3.904 9.857 187 HE3 LYS 22 HE2 LYS 22 -16.186 4.925 10.982 188 HZ1 LYS 22 HZ1 LYS 22 -16.351 3.027 12.465 189 HZ2 LYS 22 HZ2 LYS 22 -14.729 3.432 12.156 190 HZ3 LYS 22 HZ3 LYS 22 -15.424 2.077 11.403 191 H LYS 23 HN LYS 23 -17.724 9.129 7.607 192 HA LYS 23 HA LYS 23 -19.793 10.100 9.506 193 HB2 LYS 23 HB1 LYS 23 -17.004 10.318 9.554 194 HB3 LYS 23 HB2 LYS 23 -17.497 11.922 8.952 195 HG2 LYS 23 HG1 LYS 23 -18.438 10.505 11.536 196 HG3 LYS 23 HG2 LYS 23 -17.204 11.796 11.430 197 HD2 LYS 23 HD1 LYS 23 -18.959 13.369 10.518 198 HD3 LYS 23 HD2 LYS 23 -20.191 12.087 10.741 199 HE2 LYS 23 HE1 LYS 23 -19.714 12.063 13.233 200 HE3 LYS 23 HE2 LYS 23 -18.514 13.400 12.997 201 HZ1 LYS 23 HZ1 LYS 23 -20.306 14.752 12.090 202 HZ2 LYS 23 HZ2 LYS 23 -20.665 14.239 13.667 203 HZ3 LYS 23 HZ3 LYS 23 -21.421 13.502 12.339 204 HN2 ABA 24 HN AGL 24 -19.510 9.957 6.203 205 HA ABA 24 HA AGL 24 -19.982 12.738 5.636 206 HB3 ABA 24 HB2 AGL 24 -18.799 11.424 3.993 207 HB2 ABA 24 HB1 AGL 24 -20.304 12.094 3.314 208 HG3 ABA 24 HG AGL 24 -21.361 9.655 3.946 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 1.306 -0.185 -0.926 2 HA PHE 1 HA PHE 1 3.954 0.150 -1.703 3 HB2 PHE 1 HB1 PHE 1 2.225 -1.766 -3.391 4 HB3 PHE 1 HB2 PHE 1 3.628 -0.893 -4.108 5 HD1 PHE 1 HD1 PHE 1 5.919 -1.217 -3.174 6 HD2 PHE 1 HD2 PHE 1 2.609 -3.680 -1.991 7 HE1 PHE 1 HE1 PHE 1 7.499 -2.933 -2.343 8 HE2 PHE 1 HE2 PHE 1 4.182 -5.405 -1.165 9 HZ PHE 1 HZ PHE 1 6.636 -5.036 -1.351 10 H LEU 2 HN LEU 2 3.848 1.218 -4.031 11 HA LEU 2 HA LEU 2 3.391 3.089 -5.079 12 HB2 LEU 2 HB1 LEU 2 1.854 1.259 -5.957 13 HB3 LEU 2 HB2 LEU 2 0.528 2.068 -5.087 14 HG LEU 2 HG LEU 2 1.007 4.162 -6.492 15 HD11 LEU 2 HD11 LEU 2 2.305 3.840 -8.624 16 HD12 LEU 2 HD12 LEU 2 2.841 2.224 -8.056 17 HD13 LEU 2 HD13 LEU 2 3.379 3.722 -7.189 18 HD21 LEU 2 HD21 LEU 2 -0.091 3.248 -8.532 19 HD22 LEU 2 HD22 LEU 2 -0.814 2.552 -7.036 20 HD23 LEU 2 HD23 LEU 2 0.335 1.574 -8.024 21 HA PRO 3 HA PRO 3 1.319 4.933 -1.351 22 HB2 PRO 3 HB1 PRO 3 3.258 6.679 -0.286 23 HB3 PRO 3 HB2 PRO 3 3.283 4.895 -0.037 24 HG2 PRO 3 HG1 PRO 3 4.754 6.478 -2.223 25 HG3 PRO 3 HG2 PRO 3 5.467 5.291 -1.051 26 HD2 PRO 3 HD1 PRO 3 4.748 4.474 -3.571 27 HD3 PRO 3 HD2 PRO 3 4.320 3.433 -2.133 28 H ILE 4 HN ILE 4 2.597 6.578 -4.007 29 HA ILE 4 HA ILE 4 1.622 9.120 -3.996 30 HB ILE 4 HB ILE 4 1.433 7.163 -6.322 31 HG12 ILE 4 HG11 ILE 4 3.715 7.012 -5.496 32 HG13 ILE 4 HG12 ILE 4 3.668 7.979 -6.990 33 HG21 ILE 4 HG21 ILE 4 1.609 10.250 -6.151 34 HG22 ILE 4 HG22 ILE 4 1.732 9.295 -7.670 35 HG23 ILE 4 HG23 ILE 4 0.203 9.285 -6.732 36 HD11 ILE 4 HD1 ILE 4 5.232 9.014 -5.366 37 HD12 ILE 4 HD2 ILE 4 3.835 10.109 -5.635 38 HD13 ILE 4 HD3 ILE 4 3.936 9.131 -4.125 39 H LEU 5 HN LEU 5 -0.324 6.240 -5.016 40 HA LEU 5 HA LEU 5 -2.455 7.785 -5.832 41 HB2 LEU 5 HB1 LEU 5 -3.514 5.927 -6.529 42 HB3 LEU 5 HB2 LEU 5 -1.839 5.320 -6.465 43 HG LEU 5 HG LEU 5 -4.030 4.845 -4.332 44 HD11 LEU 5 HD11 LEU 5 -2.980 2.985 -6.545 45 HD12 LEU 5 HD12 LEU 5 -4.597 3.786 -6.501 46 HD13 LEU 5 HD13 LEU 5 -4.168 2.551 -5.260 47 HD21 LEU 5 HD21 LEU 5 -1.304 3.448 -4.673 48 HD22 LEU 5 HD22 LEU 5 -2.553 3.067 -3.440 49 HD23 LEU 5 HD23 LEU 5 -1.682 4.640 -3.377 50 H ALA 6 HN ALA 6 -1.824 6.780 -2.546 51 HA ALA 6 HA ALA 6 -4.421 6.971 -1.510 52 HB1 ALA 6 HB1 ALA 6 -1.695 7.690 -0.258 53 HB2 ALA 6 HB2 ALA 6 -3.221 7.399 0.663 54 HB3 ALA 6 HB3 ALA 6 -2.453 6.060 -0.261 55 H SER 7 HN SER 7 -2.020 9.532 -2.198 56 HA SER 7 HA SER 7 -3.548 11.683 -1.104 57 HB2 SER 7 HB1 SER 7 -1.348 11.677 -3.257 58 HB3 SER 7 HB2 SER 7 -2.078 13.165 -2.553 59 HG SER 7 HG1 SER 7 -0.477 11.216 -1.284 60 H LEU 8 HN LEU 8 -3.355 10.223 -4.342 61 HA LEU 8 HA LEU 8 -5.058 12.060 -5.664 62 HB2 LEU 8 HB1 LEU 8 -3.389 10.454 -6.728 63 HB3 LEU 8 HB2 LEU 8 -4.447 9.098 -6.243 64 HG LEU 8 HG LEU 8 -6.292 10.162 -7.700 65 HD11 LEU 8 HD11 LEU 8 -3.902 11.801 -8.778 66 HD12 LEU 8 HD12 LEU 8 -5.303 12.489 -7.873 67 HD13 LEU 8 HD13 LEU 8 -5.554 11.730 -9.485 68 HD21 LEU 8 HD21 LEU 8 -3.671 9.275 -9.063 69 HD22 LEU 8 HD22 LEU 8 -5.313 9.246 -9.798 70 HD23 LEU 8 HD23 LEU 8 -4.940 8.178 -8.396 71 H ALA 9 HN ALA 9 -5.696 8.838 -4.177 72 HA ALA 9 HA ALA 9 -8.408 8.686 -4.674 73 HB1 ALA 9 HB1 ALA 9 -6.939 6.782 -3.962 74 HB2 ALA 9 HB2 ALA 9 -6.747 7.540 -2.344 75 HB3 ALA 9 HB3 ALA 9 -8.366 6.932 -2.871 76 H ALA 10 HN ALA 10 -6.719 10.260 -1.942 77 HA ALA 10 HA ALA 10 -9.054 10.859 -0.485 78 HB1 ALA 10 HB1 ALA 10 -6.299 12.226 -0.544 79 HB2 ALA 10 HB2 ALA 10 -7.535 12.382 0.780 80 HB3 ALA 10 HB3 ALA 10 -6.739 10.800 0.457 81 H LYS 11 HN LYS 11 -8.030 12.230 -3.481 82 HA LYS 11 HA LYS 11 -9.737 14.626 -3.004 83 HB2 LYS 11 HB1 LYS 11 -7.210 14.159 -4.614 84 HB3 LYS 11 HB2 LYS 11 -8.435 15.252 -5.321 85 HG2 LYS 11 HG1 LYS 11 -6.770 16.557 -4.114 86 HG3 LYS 11 HG2 LYS 11 -8.404 16.734 -3.399 87 HD2 LYS 11 HD1 LYS 11 -7.797 15.066 -1.630 88 HD3 LYS 11 HD2 LYS 11 -6.135 14.950 -2.302 89 HE2 LYS 11 HE1 LYS 11 -5.720 17.340 -1.655 90 HE3 LYS 11 HE2 LYS 11 -7.466 17.535 -1.204 91 HZ1 LYS 11 HZ1 LYS 11 -7.176 15.788 0.428 92 HZ2 LYS 11 HZ2 LYS 11 -6.134 17.092 0.744 93 HZ3 LYS 11 HZ3 LYS 11 -5.533 15.655 0.055 94 H PHE 12 HN PHE 12 -8.990 12.018 -5.403 95 HA PHE 12 HA PHE 12 -11.352 12.825 -6.922 96 HB2 PHE 12 HB1 PHE 12 -9.020 10.870 -7.413 97 HB3 PHE 12 HB2 PHE 12 -10.439 10.988 -8.519 98 HD1 PHE 12 HD1 PHE 12 -7.556 12.929 -7.110 99 HD2 PHE 12 HD2 PHE 12 -10.706 12.778 -10.027 100 HE1 PHE 12 HE1 PHE 12 -6.553 14.860 -8.294 101 HE2 PHE 12 HE2 PHE 12 -9.694 14.695 -11.218 102 HZ PHE 12 HZ PHE 12 -7.622 15.742 -10.353 103 H GLY 13 HN GLY 13 -10.827 10.771 -4.308 104 HA2 GLY 13 HA1 GLY 13 -13.138 9.082 -5.096 105 HA3 GLY 13 HA2 GLY 13 -11.778 8.594 -4.038 106 HA PRO 14 HA PRO 14 -13.971 11.336 -0.967 107 HB2 PRO 14 HB1 PRO 14 -16.123 13.005 -1.604 108 HB3 PRO 14 HB2 PRO 14 -14.402 13.498 -1.837 109 HG2 PRO 14 HG1 PRO 14 -16.266 12.283 -3.957 110 HG3 PRO 14 HG2 PRO 14 -15.277 13.797 -4.073 111 HD2 PRO 14 HD1 PRO 14 -14.322 11.419 -5.072 112 HD3 PRO 14 HD2 PRO 14 -13.221 12.564 -4.192 113 H LYS 15 HN LYS 15 -15.907 9.854 -3.403 114 HA LYS 15 HA LYS 15 -18.124 8.919 -1.981 115 HB2 LYS 15 HB1 LYS 15 -17.814 8.859 -4.449 116 HB3 LYS 15 HB2 LYS 15 -16.441 7.722 -4.270 117 HG2 LYS 15 HG1 LYS 15 -18.002 5.934 -3.475 118 HG3 LYS 15 HG2 LYS 15 -19.350 7.106 -3.464 119 HD2 LYS 15 HD1 LYS 15 -19.565 5.733 -5.439 120 HD3 LYS 15 HD2 LYS 15 -19.157 7.408 -5.933 121 HE2 LYS 15 HE1 LYS 15 -16.743 6.681 -6.319 122 HE3 LYS 15 HE2 LYS 15 -17.199 4.998 -5.838 123 HZ1 LYS 15 HZ1 LYS 15 -17.185 5.292 -8.230 124 HZ2 LYS 15 HZ2 LYS 15 -18.322 6.536 -8.141 125 HZ3 LYS 15 HZ3 LYS 15 -18.756 4.961 -7.700 126 H LEU 16 HN LEU 16 -14.817 7.450 -2.259 127 HA LEU 16 HA LEU 16 -15.504 5.270 -0.491 128 HB2 LEU 16 HB1 LEU 16 -12.820 6.358 -1.520 129 HB3 LEU 16 HB2 LEU 16 -12.984 4.903 -0.489 130 HG LEU 16 HG LEU 16 -14.230 5.199 -3.283 131 HD11 LEU 16 HD11 LEU 16 -12.415 3.633 -4.005 132 HD12 LEU 16 HD12 LEU 16 -11.708 3.685 -2.351 133 HD13 LEU 16 HD13 LEU 16 -11.732 5.175 -3.364 134 HD21 LEU 16 HD21 LEU 16 -14.520 2.693 -3.096 135 HD22 LEU 16 HD22 LEU 16 -15.497 3.572 -1.864 136 HD23 LEU 16 HD23 LEU 16 -13.952 2.770 -1.393 137 H PHE 17 HN PHE 17 -13.878 8.428 -0.217 138 HA PHE 17 HA PHE 17 -12.807 8.081 2.283 139 HB2 PHE 17 HB1 PHE 17 -12.588 9.945 0.339 140 HB3 PHE 17 HB2 PHE 17 -13.724 10.864 1.384 141 HD1 PHE 17 HD1 PHE 17 -12.879 11.821 3.463 142 HD2 PHE 17 HD2 PHE 17 -10.437 9.122 1.180 143 HE1 PHE 17 HE1 PHE 17 -10.913 12.426 4.846 144 HE2 PHE 17 HE2 PHE 17 -8.473 9.724 2.563 145 HZ PHE 17 HZ PHE 17 -8.710 11.378 4.399 146 HN2 ABA 18 HN AGL 18 -16.039 9.522 1.528 147 HA ABA 18 HA AGL 18 -16.755 9.872 4.257 148 HB3 ABA 18 HB2 AGL 18 -19.209 9.518 3.056 149 HB2 ABA 18 HB1 AGL 18 -18.227 9.768 1.599 150 HG3 ABA 18 HG AGL 18 -17.393 12.009 2.541 151 H LEU 19 HN LEU 19 -17.252 7.019 2.096 152 HA LEU 19 HA LEU 19 -18.803 5.635 4.008 153 HB2 LEU 19 HB1 LEU 19 -17.174 4.650 1.614 154 HB3 LEU 19 HB2 LEU 19 -18.273 3.599 2.568 155 HG LEU 19 HG LEU 19 -19.154 6.115 1.040 156 HD11 LEU 19 HD11 LEU 19 -20.162 4.527 -0.588 157 HD12 LEU 19 HD12 LEU 19 -19.459 3.132 0.317 158 HD13 LEU 19 HD13 LEU 19 -18.372 4.325 -0.497 159 HD21 LEU 19 HD21 LEU 19 -20.688 5.636 2.943 160 HD22 LEU 19 HD22 LEU 19 -20.800 3.906 2.436 161 HD23 LEU 19 HD23 LEU 19 -21.471 5.205 1.385 162 H VAL 20 HN VAL 20 -15.232 5.511 3.416 163 HA VAL 20 HA VAL 20 -14.858 3.516 5.390 164 HB VAL 20 HB VAL 20 -13.267 3.922 3.598 165 HG11 VAL 20 HG11 VAL 20 -11.568 5.681 3.774 166 HG12 VAL 20 HG12 VAL 20 -13.192 6.453 3.705 167 HG13 VAL 20 HG13 VAL 20 -12.299 6.333 5.273 168 HG21 VAL 20 HG21 VAL 20 -11.280 3.441 5.016 169 HG22 VAL 20 HG22 VAL 20 -12.128 4.051 6.474 170 HG23 VAL 20 HG23 VAL 20 -12.722 2.564 5.639 171 H THR 21 HN THR 21 -14.704 7.100 5.638 172 HA THR 21 HA THR 21 -13.878 6.922 8.393 173 HB THR 21 HB THR 21 -14.670 9.537 7.053 174 HG1 THR 21 HG1 THR 21 -13.397 8.754 5.519 175 HG21 THR 21 HG21 THR 21 -12.371 8.638 8.937 176 HG22 THR 21 HG22 THR 21 -13.828 9.559 9.460 177 HG23 THR 21 HG23 THR 21 -12.639 10.310 8.340 178 H LYS 22 HN LYS 22 -16.870 6.750 6.991 179 HA LYS 22 HA LYS 22 -18.992 6.966 7.564 180 HB2 LYS 22 HB1 LYS 22 -18.017 6.932 10.471 181 HB3 LYS 22 HB2 LYS 22 -19.613 6.384 9.885 182 HG2 LYS 22 HG1 LYS 22 -16.891 5.065 9.267 183 HG3 LYS 22 HG2 LYS 22 -18.010 4.570 10.561 184 HD2 LYS 22 HD1 LYS 22 -19.769 3.960 8.990 185 HD3 LYS 22 HD2 LYS 22 -18.840 4.567 7.590 186 HE2 LYS 22 HE1 LYS 22 -17.918 2.235 9.423 187 HE3 LYS 22 HE2 LYS 22 -18.766 2.036 7.834 188 HZ1 LYS 22 HZ1 LYS 22 -17.003 3.263 6.789 189 HZ2 LYS 22 HZ2 LYS 22 -16.351 1.913 7.598 190 HZ3 LYS 22 HZ3 LYS 22 -16.175 3.479 8.216 191 H LYS 23 HN LYS 23 -17.471 9.643 7.530 192 HA LYS 23 HA LYS 23 -18.942 11.068 9.639 193 HB2 LYS 23 HB1 LYS 23 -16.418 10.977 9.328 194 HB3 LYS 23 HB2 LYS 23 -16.595 12.119 7.973 195 HG2 LYS 23 HG1 LYS 23 -17.752 12.647 10.794 196 HG3 LYS 23 HG2 LYS 23 -16.025 12.889 10.467 197 HD2 LYS 23 HD1 LYS 23 -16.261 14.822 9.347 198 HD3 LYS 23 HD2 LYS 23 -17.665 14.271 8.413 199 HE2 LYS 23 HE1 LYS 23 -17.767 15.354 11.322 200 HE3 LYS 23 HE2 LYS 23 -18.250 16.229 9.813 201 HZ1 LYS 23 HZ1 LYS 23 -19.554 13.918 11.120 202 HZ2 LYS 23 HZ2 LYS 23 -19.746 14.185 9.473 203 HZ3 LYS 23 HZ3 LYS 23 -20.239 15.375 10.580 204 HN2 ABA 24 HN AGL 24 -19.395 10.573 6.325 205 HA ABA 24 HA AGL 24 -20.466 13.220 5.750 206 HB3 ABA 24 HB2 AGL 24 -21.336 12.053 3.629 207 HB2 ABA 24 HB1 AGL 24 -20.566 10.555 4.217 208 HG3 ABA 24 HG AGL 24 -19.052 13.259 3.706 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 1.846 -0.308 -1.987 2 HA PHE 1 HA PHE 1 4.060 0.188 -0.454 3 HB2 PHE 1 HB1 PHE 1 4.663 -1.100 -3.192 4 HB3 PHE 1 HB2 PHE 1 5.856 -0.003 -2.404 5 HD1 PHE 1 HD1 PHE 1 7.214 -0.726 -0.607 6 HD2 PHE 1 HD2 PHE 1 3.991 -3.218 -1.964 7 HE1 PHE 1 HE1 PHE 1 8.091 -2.596 0.754 8 HE2 PHE 1 HE2 PHE 1 4.865 -5.092 -0.596 9 HZ PHE 1 HZ PHE 1 6.919 -4.781 0.764 10 H LEU 2 HN LEU 2 5.409 1.974 -1.673 11 HA LEU 2 HA LEU 2 5.080 4.209 -1.935 12 HB2 LEU 2 HB1 LEU 2 6.521 3.016 -3.582 13 HB3 LEU 2 HB2 LEU 2 5.163 3.066 -4.738 14 HG LEU 2 HG LEU 2 5.222 5.589 -4.652 15 HD11 LEU 2 HD11 LEU 2 6.229 5.985 -2.402 16 HD12 LEU 2 HD12 LEU 2 7.249 6.728 -3.681 17 HD13 LEU 2 HD13 LEU 2 7.755 5.172 -2.927 18 HD21 LEU 2 HD21 LEU 2 7.901 4.246 -5.375 19 HD22 LEU 2 HD22 LEU 2 7.304 5.835 -5.991 20 HD23 LEU 2 HD23 LEU 2 6.429 4.317 -6.414 21 HA PRO 3 HA PRO 3 0.755 4.268 -3.075 22 HB2 PRO 3 HB1 PRO 3 -0.467 5.250 -0.836 23 HB3 PRO 3 HB2 PRO 3 0.483 3.719 -0.792 24 HG2 PRO 3 HG1 PRO 3 1.508 6.529 -0.069 25 HG3 PRO 3 HG2 PRO 3 1.515 5.052 0.984 26 HD2 PRO 3 HD1 PRO 3 3.713 5.711 -0.556 27 HD3 PRO 3 HD2 PRO 3 3.165 3.977 -0.385 28 H ILE 4 HN ILE 4 1.984 6.066 -4.487 29 HA ILE 4 HA ILE 4 1.312 8.710 -4.604 30 HB ILE 4 HB ILE 4 1.234 6.716 -6.921 31 HG12 ILE 4 HG11 ILE 4 3.590 8.358 -5.821 32 HG13 ILE 4 HG12 ILE 4 3.364 6.594 -5.581 33 HG21 ILE 4 HG21 ILE 4 0.209 8.965 -7.489 34 HG22 ILE 4 HG22 ILE 4 1.680 9.787 -6.849 35 HG23 ILE 4 HG23 ILE 4 1.774 8.749 -8.316 36 HD11 ILE 4 HD1 ILE 4 3.812 7.977 -8.299 37 HD12 ILE 4 HD2 ILE 4 4.943 6.901 -7.415 38 HD13 ILE 4 HD3 ILE 4 3.404 6.239 -8.084 39 H LEU 5 HN LEU 5 -0.682 6.137 -6.098 40 HA LEU 5 HA LEU 5 -2.839 7.735 -6.701 41 HB2 LEU 5 HB1 LEU 5 -4.021 5.655 -7.242 42 HB3 LEU 5 HB2 LEU 5 -2.344 5.668 -7.833 43 HG LEU 5 HG LEU 5 -1.822 4.327 -5.569 44 HD11 LEU 5 HD11 LEU 5 -4.152 4.406 -4.592 45 HD12 LEU 5 HD12 LEU 5 -3.676 2.724 -5.018 46 HD13 LEU 5 HD13 LEU 5 -4.792 3.638 -6.091 47 HD21 LEU 5 HD21 LEU 5 -1.451 3.511 -7.899 48 HD22 LEU 5 HD22 LEU 5 -3.195 3.078 -8.029 49 HD23 LEU 5 HD23 LEU 5 -2.140 2.215 -6.853 50 H ALA 6 HN ALA 6 -2.149 6.402 -3.500 51 HA ALA 6 HA ALA 6 -4.817 6.424 -2.551 52 HB1 ALA 6 HB1 ALA 6 -2.180 6.864 -1.025 53 HB2 ALA 6 HB2 ALA 6 -3.770 6.432 -0.294 54 HB3 ALA 6 HB3 ALA 6 -2.931 5.263 -1.374 55 H SER 7 HN SER 7 -2.317 8.953 -2.728 56 HA SER 7 HA SER 7 -3.790 11.001 -1.412 57 HB2 SER 7 HB1 SER 7 -1.611 11.258 -3.581 58 HB3 SER 7 HB2 SER 7 -2.233 12.598 -2.551 59 HG SER 7 HG1 SER 7 -0.752 10.312 -1.750 60 H LEU 8 HN LEU 8 -3.545 10.010 -4.829 61 HA LEU 8 HA LEU 8 -5.187 12.041 -5.901 62 HB2 LEU 8 HB1 LEU 8 -3.531 10.473 -7.115 63 HB3 LEU 8 HB2 LEU 8 -4.744 9.175 -6.928 64 HG LEU 8 HG LEU 8 -6.382 10.709 -8.231 65 HD11 LEU 8 HD11 LEU 8 -3.742 12.162 -8.928 66 HD12 LEU 8 HD12 LEU 8 -5.095 12.871 -7.966 67 HD13 LEU 8 HD13 LEU 8 -5.345 12.436 -9.698 68 HD21 LEU 8 HD21 LEU 8 -5.281 8.707 -9.226 69 HD22 LEU 8 HD22 LEU 8 -3.837 9.702 -9.654 70 HD23 LEU 8 HD23 LEU 8 -5.426 10.039 -10.429 71 H ALA 9 HN ALA 9 -5.952 8.684 -4.847 72 HA ALA 9 HA ALA 9 -8.668 8.710 -5.396 73 HB1 ALA 9 HB1 ALA 9 -8.724 6.719 -3.870 74 HB2 ALA 9 HB2 ALA 9 -7.297 6.658 -4.968 75 HB3 ALA 9 HB3 ALA 9 -7.084 7.162 -3.255 76 H ALA 10 HN ALA 10 -6.983 9.664 -2.328 77 HA ALA 10 HA ALA 10 -9.339 10.263 -0.926 78 HB1 ALA 10 HB1 ALA 10 -7.068 10.029 0.111 79 HB2 ALA 10 HB2 ALA 10 -6.532 11.523 -0.732 80 HB3 ALA 10 HB3 ALA 10 -7.816 11.612 0.539 81 H LYS 11 HN LYS 11 -7.344 12.359 -3.059 82 HA LYS 11 HA LYS 11 -8.907 14.674 -2.661 83 HB2 LYS 11 HB1 LYS 11 -6.582 14.733 -3.446 84 HB3 LYS 11 HB2 LYS 11 -7.021 13.841 -4.931 85 HG2 LYS 11 HG1 LYS 11 -8.354 15.703 -5.768 86 HG3 LYS 11 HG2 LYS 11 -8.234 16.567 -4.194 87 HD2 LYS 11 HD1 LYS 11 -5.816 16.957 -4.541 88 HD3 LYS 11 HD2 LYS 11 -5.799 15.868 -5.956 89 HE2 LYS 11 HE1 LYS 11 -5.746 18.327 -6.604 90 HE3 LYS 11 HE2 LYS 11 -7.133 17.407 -7.315 91 HZ1 LYS 11 HZ1 LYS 11 -7.845 19.515 -6.417 92 HZ2 LYS 11 HZ2 LYS 11 -7.257 19.106 -4.872 93 HZ3 LYS 11 HZ3 LYS 11 -8.529 18.221 -5.558 94 H PHE 12 HN PHE 12 -9.116 12.226 -5.319 95 HA PHE 12 HA PHE 12 -11.370 13.776 -6.431 96 HB2 PHE 12 HB1 PHE 12 -9.503 11.616 -7.575 97 HB3 PHE 12 HB2 PHE 12 -10.962 12.210 -8.452 98 HD1 PHE 12 HD1 PHE 12 -7.506 12.938 -7.633 99 HD2 PHE 12 HD2 PHE 12 -11.205 14.635 -8.982 100 HE1 PHE 12 HE1 PHE 12 -6.264 14.833 -8.651 101 HE2 PHE 12 HE2 PHE 12 -9.976 16.531 -9.993 102 HZ PHE 12 HZ PHE 12 -7.501 16.622 -9.849 103 H GLY 13 HN GLY 13 -11.000 11.045 -4.415 104 HA2 GLY 13 HA1 GLY 13 -13.610 9.971 -5.314 105 HA3 GLY 13 HA2 GLY 13 -12.295 9.092 -4.478 106 HA PRO 14 HA PRO 14 -13.704 11.377 -0.789 107 HB2 PRO 14 HB1 PRO 14 -15.506 13.515 -0.722 108 HB3 PRO 14 HB2 PRO 14 -13.773 13.719 -1.181 109 HG2 PRO 14 HG1 PRO 14 -16.139 13.299 -3.103 110 HG3 PRO 14 HG2 PRO 14 -14.908 14.634 -3.127 111 HD2 PRO 14 HD1 PRO 14 -14.542 12.404 -4.691 112 HD3 PRO 14 HD2 PRO 14 -13.145 13.118 -3.768 113 H LYS 15 HN LYS 15 -16.079 10.484 -3.079 114 HA LYS 15 HA LYS 15 -18.285 9.891 -1.404 115 HB2 LYS 15 HB1 LYS 15 -17.250 8.415 -3.908 116 HB3 LYS 15 HB2 LYS 15 -18.885 8.226 -3.200 117 HG2 LYS 15 HG1 LYS 15 -19.431 10.584 -3.746 118 HG3 LYS 15 HG2 LYS 15 -17.779 10.852 -4.388 119 HD2 LYS 15 HD1 LYS 15 -18.150 9.067 -6.110 120 HD3 LYS 15 HD2 LYS 15 -19.824 8.833 -5.504 121 HE2 LYS 15 HE1 LYS 15 -20.418 11.183 -6.165 122 HE3 LYS 15 HE2 LYS 15 -18.718 11.474 -6.707 123 HZ1 LYS 15 HZ1 LYS 15 -18.997 9.742 -8.362 124 HZ2 LYS 15 HZ2 LYS 15 -20.179 10.935 -8.545 125 HZ3 LYS 15 HZ3 LYS 15 -20.585 9.444 -7.854 126 H LEU 16 HN LEU 16 -15.357 7.965 -2.275 127 HA LEU 16 HA LEU 16 -16.104 5.696 -0.707 128 HB2 LEU 16 HB1 LEU 16 -13.389 6.622 -1.818 129 HB3 LEU 16 HB2 LEU 16 -13.706 5.013 -1.098 130 HG LEU 16 HG LEU 16 -15.046 6.111 -3.641 131 HD11 LEU 16 HD11 LEU 16 -13.594 4.476 -4.839 132 HD12 LEU 16 HD12 LEU 16 -12.806 4.023 -3.284 133 HD13 LEU 16 HD13 LEU 16 -12.605 5.689 -3.942 134 HD21 LEU 16 HD21 LEU 16 -15.791 3.725 -3.966 135 HD22 LEU 16 HD22 LEU 16 -16.525 4.457 -2.494 136 HD23 LEU 16 HD23 LEU 16 -15.139 3.311 -2.341 137 H PHE 17 HN PHE 17 -14.045 8.553 -0.189 138 HA PHE 17 HA PHE 17 -12.964 7.776 2.245 139 HB2 PHE 17 HB1 PHE 17 -12.490 9.796 0.509 140 HB3 PHE 17 HB2 PHE 17 -13.505 10.738 1.652 141 HD1 PHE 17 HD1 PHE 17 -12.735 10.872 4.083 142 HD2 PHE 17 HD2 PHE 17 -10.315 9.085 1.019 143 HE1 PHE 17 HE1 PHE 17 -10.734 11.087 5.534 144 HE2 PHE 17 HE2 PHE 17 -8.317 9.297 2.466 145 HZ PHE 17 HZ PHE 17 -8.524 10.302 4.723 146 HN2 ABA 18 HN AGL 18 -15.969 9.703 1.650 147 HA ABA 18 HA AGL 18 -16.712 9.926 4.357 148 HB3 ABA 18 HB2 AGL 18 -18.282 9.901 1.726 149 HB2 ABA 18 HB1 AGL 18 -17.714 11.326 2.616 150 HG3 ABA 18 HG AGL 18 -20.160 9.557 3.177 151 H LEU 19 HN LEU 19 -17.495 7.307 1.959 152 HA LEU 19 HA LEU 19 -19.164 5.920 3.738 153 HB2 LEU 19 HB1 LEU 19 -17.619 5.033 1.262 154 HB3 LEU 19 HB2 LEU 19 -18.742 3.941 2.137 155 HG LEU 19 HG LEU 19 -19.592 6.645 0.960 156 HD11 LEU 19 HD11 LEU 19 -18.823 5.124 -0.849 157 HD12 LEU 19 HD12 LEU 19 -20.616 5.329 -0.893 158 HD13 LEU 19 HD13 LEU 19 -19.897 3.812 -0.224 159 HD21 LEU 19 HD21 LEU 19 -21.907 5.703 1.190 160 HD22 LEU 19 HD22 LEU 19 -21.095 5.860 2.786 161 HD23 LEU 19 HD23 LEU 19 -21.228 4.242 2.001 162 H VAL 20 HN VAL 20 -15.596 5.409 3.209 163 HA VAL 20 HA VAL 20 -15.606 3.190 4.971 164 HB VAL 20 HB VAL 20 -13.189 3.320 5.071 165 HG11 VAL 20 HG11 VAL 20 -14.407 2.196 3.183 166 HG12 VAL 20 HG12 VAL 20 -14.361 3.734 2.239 167 HG13 VAL 20 HG13 VAL 20 -12.830 2.893 2.659 168 HG21 VAL 20 HG21 VAL 20 -12.774 5.784 5.079 169 HG22 VAL 20 HG22 VAL 20 -11.987 5.033 3.653 170 HG23 VAL 20 HG23 VAL 20 -13.526 5.937 3.446 171 H THR 21 HN THR 21 -14.840 6.672 5.691 172 HA THR 21 HA THR 21 -14.364 6.025 8.425 173 HB THR 21 HB THR 21 -15.031 8.823 7.480 174 HG1 THR 21 HG1 THR 21 -12.538 7.477 7.453 175 HG21 THR 21 HG21 THR 21 -13.258 7.570 9.718 176 HG22 THR 21 HG22 THR 21 -14.792 8.472 9.982 177 HG23 THR 21 HG23 THR 21 -13.335 9.323 9.343 178 H LYS 22 HN LYS 22 -17.272 6.811 6.627 179 HA LYS 22 HA LYS 22 -19.372 7.053 7.068 180 HB2 LYS 22 HB1 LYS 22 -18.899 5.708 9.755 181 HB3 LYS 22 HB2 LYS 22 -20.455 5.809 8.893 182 HG2 LYS 22 HG1 LYS 22 -19.827 4.258 7.211 183 HG3 LYS 22 HG2 LYS 22 -18.090 4.414 7.508 184 HD2 LYS 22 HD1 LYS 22 -20.115 2.992 9.328 185 HD3 LYS 22 HD2 LYS 22 -18.870 2.256 8.281 186 HE2 LYS 22 HE1 LYS 22 -18.492 3.763 10.934 187 HE3 LYS 22 HE2 LYS 22 -17.951 2.104 10.476 188 HZ1 LYS 22 HZ1 LYS 22 -16.501 3.391 8.756 189 HZ2 LYS 22 HZ2 LYS 22 -16.045 3.414 10.392 190 HZ3 LYS 22 HZ3 LYS 22 -16.845 4.731 9.700 191 H LYS 23 HN LYS 23 -17.452 9.165 8.234 192 HA LYS 23 HA LYS 23 -19.358 10.358 10.166 193 HB2 LYS 23 HB1 LYS 23 -17.756 10.611 11.603 194 HB3 LYS 23 HB2 LYS 23 -16.709 9.620 10.577 195 HG2 LYS 23 HG1 LYS 23 -16.883 12.696 10.660 196 HG3 LYS 23 HG2 LYS 23 -15.648 11.684 11.451 197 HD2 LYS 23 HD1 LYS 23 -14.613 11.067 9.351 198 HD3 LYS 23 HD2 LYS 23 -16.016 11.622 8.396 199 HE2 LYS 23 HE1 LYS 23 -14.081 13.208 8.206 200 HE3 LYS 23 HE2 LYS 23 -15.567 13.982 8.889 201 HZ1 LYS 23 HZ1 LYS 23 -14.662 13.688 11.087 202 HZ2 LYS 23 HZ2 LYS 23 -13.597 14.593 10.131 203 HZ3 LYS 23 HZ3 LYS 23 -13.257 12.966 10.480 204 HN2 ABA 24 HN AGL 24 -19.169 10.594 7.029 205 HA ABA 24 HA AGL 24 -18.745 13.464 6.808 206 HB3 ABA 24 HB2 AGL 24 -17.959 12.140 4.947 207 HB2 ABA 24 HB1 AGL 24 -19.249 13.266 4.441 208 HG3 ABA 24 HG AGL 24 -20.860 11.066 4.853 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 2.667 -0.856 -0.366 2 HA PHE 1 HA PHE 1 5.045 0.394 -0.747 3 HB2 PHE 1 HB1 PHE 1 3.482 -1.352 -2.749 4 HB3 PHE 1 HB2 PHE 1 5.213 -0.897 -2.957 5 HD1 PHE 1 HD1 PHE 1 6.775 -1.362 -0.882 6 HD2 PHE 1 HD2 PHE 1 3.049 -3.369 -1.623 7 HE1 PHE 1 HE1 PHE 1 7.505 -3.244 0.550 8 HE2 PHE 1 HE2 PHE 1 3.783 -5.256 -0.196 9 HZ PHE 1 HZ PHE 1 6.009 -5.193 0.897 10 H LEU 2 HN LEU 2 5.265 2.478 -1.133 11 HA LEU 2 HA LEU 2 5.093 4.480 -2.002 12 HB2 LEU 2 HB1 LEU 2 6.615 3.169 -3.510 13 HB3 LEU 2 HB2 LEU 2 5.260 3.045 -4.666 14 HG LEU 2 HG LEU 2 5.206 5.560 -4.839 15 HD11 LEU 2 HD11 LEU 2 7.751 5.461 -3.088 16 HD12 LEU 2 HD12 LEU 2 6.178 6.226 -2.641 17 HD13 LEU 2 HD13 LEU 2 7.145 6.906 -3.989 18 HD21 LEU 2 HD21 LEU 2 6.471 4.168 -6.457 19 HD22 LEU 2 HD22 LEU 2 7.947 4.284 -5.431 20 HD23 LEU 2 HD23 LEU 2 7.255 5.770 -6.213 21 HA PRO 3 HA PRO 3 0.772 4.091 -3.335 22 HB2 PRO 3 HB1 PRO 3 -0.698 4.893 -1.176 23 HB3 PRO 3 HB2 PRO 3 0.327 3.412 -1.115 24 HG2 PRO 3 HG1 PRO 3 1.132 6.226 -0.166 25 HG3 PRO 3 HG2 PRO 3 1.127 4.694 0.809 26 HD2 PRO 3 HD1 PRO 3 3.416 5.542 -0.490 27 HD3 PRO 3 HD2 PRO 3 2.941 3.779 -0.452 28 H ILE 4 HN ILE 4 1.901 5.951 -4.639 29 HA ILE 4 HA ILE 4 1.198 8.571 -4.711 30 HB ILE 4 HB ILE 4 1.088 6.662 -7.093 31 HG12 ILE 4 HG11 ILE 4 3.212 6.269 -6.006 32 HG13 ILE 4 HG12 ILE 4 3.441 7.222 -7.488 33 HG21 ILE 4 HG21 ILE 4 1.576 9.715 -6.888 34 HG22 ILE 4 HG22 ILE 4 1.769 8.723 -8.377 35 HG23 ILE 4 HG23 ILE 4 0.147 8.903 -7.637 36 HD11 ILE 4 HD1 ILE 4 3.516 8.348 -4.600 37 HD12 ILE 4 HD2 ILE 4 4.919 8.070 -5.695 38 HD13 ILE 4 HD3 ILE 4 3.706 9.328 -6.104 39 H LEU 5 HN LEU 5 -0.787 6.033 -6.268 40 HA LEU 5 HA LEU 5 -2.962 7.554 -6.861 41 HB2 LEU 5 HB1 LEU 5 -4.132 5.553 -7.344 42 HB3 LEU 5 HB2 LEU 5 -2.433 5.310 -7.816 43 HG LEU 5 HG LEU 5 -3.757 4.213 -5.251 44 HD11 LEU 5 HD11 LEU 5 -3.067 2.806 -7.901 45 HD12 LEU 5 HD12 LEU 5 -4.719 3.235 -7.324 46 HD13 LEU 5 HD13 LEU 5 -3.735 2.025 -6.423 47 HD21 LEU 5 HD21 LEU 5 -1.768 2.676 -5.147 48 HD22 LEU 5 HD22 LEU 5 -1.291 4.390 -4.899 49 HD23 LEU 5 HD23 LEU 5 -0.998 3.579 -6.494 50 H ALA 6 HN ALA 6 -2.321 6.108 -3.639 51 HA ALA 6 HA ALA 6 -4.958 6.390 -2.668 52 HB1 ALA 6 HB1 ALA 6 -2.289 6.513 -1.143 53 HB2 ALA 6 HB2 ALA 6 -3.913 6.212 -0.420 54 HB3 ALA 6 HB3 ALA 6 -3.195 5.008 -1.546 55 H SER 7 HN SER 7 -2.239 8.676 -2.817 56 HA SER 7 HA SER 7 -3.491 10.794 -1.395 57 HB2 SER 7 HB1 SER 7 -1.020 10.658 -1.892 58 HB3 SER 7 HB2 SER 7 -1.368 10.987 -3.617 59 HG SER 7 HG1 SER 7 -0.750 12.817 -2.353 60 H LEU 8 HN LEU 8 -3.481 9.908 -4.873 61 HA LEU 8 HA LEU 8 -5.058 12.100 -5.744 62 HB2 LEU 8 HB1 LEU 8 -3.554 10.561 -7.148 63 HB3 LEU 8 HB2 LEU 8 -4.784 9.284 -6.947 64 HG LEU 8 HG LEU 8 -6.468 10.898 -8.063 65 HD11 LEU 8 HD11 LEU 8 -5.505 12.707 -9.484 66 HD12 LEU 8 HD12 LEU 8 -3.869 12.401 -8.804 67 HD13 LEU 8 HD13 LEU 8 -5.185 13.047 -7.746 68 HD21 LEU 8 HD21 LEU 8 -4.016 9.988 -9.696 69 HD22 LEU 8 HD22 LEU 8 -5.647 10.376 -10.349 70 HD23 LEU 8 HD23 LEU 8 -5.436 8.965 -9.251 71 H ALA 9 HN ALA 9 -5.935 8.717 -4.871 72 HA ALA 9 HA ALA 9 -8.622 8.830 -5.403 73 HB1 ALA 9 HB1 ALA 9 -7.290 6.740 -5.065 74 HB2 ALA 9 HB2 ALA 9 -7.111 7.141 -3.320 75 HB3 ALA 9 HB3 ALA 9 -8.741 6.759 -4.000 76 H ALA 10 HN ALA 10 -6.987 9.690 -2.310 77 HA ALA 10 HA ALA 10 -9.332 10.149 -0.856 78 HB1 ALA 10 HB1 ALA 10 -7.865 11.558 0.604 79 HB2 ALA 10 HB2 ALA 10 -7.039 10.030 0.129 80 HB3 ALA 10 HB3 ALA 10 -6.603 11.569 -0.696 81 H LYS 11 HN LYS 11 -7.687 12.283 -3.189 82 HA LYS 11 HA LYS 11 -9.330 14.578 -2.550 83 HB2 LYS 11 HB1 LYS 11 -7.384 13.986 -4.846 84 HB3 LYS 11 HB2 LYS 11 -8.129 15.587 -4.545 85 HG2 LYS 11 HG1 LYS 11 -6.940 15.853 -2.441 86 HG3 LYS 11 HG2 LYS 11 -6.433 14.134 -2.440 87 HD2 LYS 11 HD1 LYS 11 -5.116 14.564 -4.581 88 HD3 LYS 11 HD2 LYS 11 -5.520 16.297 -4.447 89 HE2 LYS 11 HE1 LYS 11 -3.202 15.766 -3.601 90 HE3 LYS 11 HE2 LYS 11 -4.244 16.465 -2.294 91 HZ1 LYS 11 HZ1 LYS 11 -2.875 14.079 -2.154 92 HZ2 LYS 11 HZ2 LYS 11 -4.411 13.606 -2.544 93 HZ3 LYS 11 HZ3 LYS 11 -4.181 14.543 -1.162 94 H PHE 12 HN PHE 12 -9.165 12.235 -5.297 95 HA PHE 12 HA PHE 12 -11.474 13.574 -6.511 96 HB2 PHE 12 HB1 PHE 12 -9.435 11.485 -7.490 97 HB3 PHE 12 HB2 PHE 12 -10.895 11.941 -8.451 98 HD1 PHE 12 HD1 PHE 12 -7.609 13.112 -7.241 99 HD2 PHE 12 HD2 PHE 12 -11.208 14.182 -9.318 100 HE1 PHE 12 HE1 PHE 12 -6.489 15.139 -8.141 101 HE2 PHE 12 HE2 PHE 12 -10.092 16.196 -10.223 102 HZ PHE 12 HZ PHE 12 -7.734 16.678 -9.635 103 H GLY 13 HN GLY 13 -11.095 11.035 -4.331 104 HA2 GLY 13 HA1 GLY 13 -13.659 9.834 -5.215 105 HA3 GLY 13 HA2 GLY 13 -12.340 9.012 -4.326 106 HA PRO 14 HA PRO 14 -13.945 11.464 -0.741 107 HB2 PRO 14 HB1 PRO 14 -15.796 13.553 -0.912 108 HB3 PRO 14 HB2 PRO 14 -14.029 13.786 -1.200 109 HG2 PRO 14 HG1 PRO 14 -16.185 13.292 -3.335 110 HG3 PRO 14 HG2 PRO 14 -14.953 14.620 -3.276 111 HD2 PRO 14 HD1 PRO 14 -14.473 12.336 -4.731 112 HD3 PRO 14 HD2 PRO 14 -13.151 13.107 -3.749 113 H LYS 15 HN LYS 15 -16.233 10.749 -3.233 114 HA LYS 15 HA LYS 15 -18.457 9.941 -1.718 115 HB2 LYS 15 HB1 LYS 15 -18.482 10.291 -4.152 116 HB3 LYS 15 HB2 LYS 15 -17.324 8.948 -4.403 117 HG2 LYS 15 HG1 LYS 15 -19.033 7.281 -3.767 118 HG3 LYS 15 HG2 LYS 15 -20.080 8.558 -3.100 119 HD2 LYS 15 HD1 LYS 15 -21.044 7.861 -5.224 120 HD3 LYS 15 HD2 LYS 15 -20.481 9.546 -5.299 121 HE2 LYS 15 HE1 LYS 15 -19.964 8.503 -7.425 122 HE3 LYS 15 HE2 LYS 15 -18.401 8.794 -6.576 123 HZ1 LYS 15 HZ1 LYS 15 -19.903 6.219 -6.712 124 HZ2 LYS 15 HZ2 LYS 15 -18.452 6.465 -5.868 125 HZ3 LYS 15 HZ3 LYS 15 -18.492 6.611 -7.559 126 H LEU 16 HN LEU 16 -15.441 8.123 -2.514 127 HA LEU 16 HA LEU 16 -16.366 5.750 -1.129 128 HB2 LEU 16 HB1 LEU 16 -13.584 6.613 -2.114 129 HB3 LEU 16 HB2 LEU 16 -13.977 5.006 -1.428 130 HG LEU 16 HG LEU 16 -15.181 6.170 -4.009 131 HD11 LEU 16 HD11 LEU 16 -13.718 4.506 -5.167 132 HD12 LEU 16 HD12 LEU 16 -13.008 4.024 -3.584 133 HD13 LEU 16 HD13 LEU 16 -12.742 5.689 -4.218 134 HD21 LEU 16 HD21 LEU 16 -15.387 3.359 -2.742 135 HD22 LEU 16 HD22 LEU 16 -15.967 3.793 -4.387 136 HD23 LEU 16 HD23 LEU 16 -16.743 4.531 -2.933 137 H PHE 17 HN PHE 17 -14.223 8.536 -0.470 138 HA PHE 17 HA PHE 17 -13.187 7.614 1.914 139 HB2 PHE 17 HB1 PHE 17 -12.574 9.662 0.321 140 HB3 PHE 17 HB2 PHE 17 -13.634 10.612 1.416 141 HD1 PHE 17 HD1 PHE 17 -13.041 10.624 3.922 142 HD2 PHE 17 HD2 PHE 17 -10.423 8.978 0.940 143 HE1 PHE 17 HE1 PHE 17 -11.148 10.774 5.503 144 HE2 PHE 17 HE2 PHE 17 -8.523 9.131 2.523 145 HZ PHE 17 HZ PHE 17 -8.883 10.032 4.807 146 HN2 ABA 18 HN AGL 18 -16.102 9.735 1.494 147 HA ABA 18 HA AGL 18 -16.681 9.915 4.233 148 HB3 ABA 18 HB2 AGL 18 -18.464 10.121 1.750 149 HB2 ABA 18 HB1 AGL 18 -17.624 11.455 2.563 150 HG3 ABA 18 HG AGL 18 -20.218 10.057 3.386 151 H LEU 19 HN LEU 19 -17.712 7.400 1.845 152 HA LEU 19 HA LEU 19 -19.401 6.077 3.689 153 HB2 LEU 19 HB1 LEU 19 -18.002 5.097 1.153 154 HB3 LEU 19 HB2 LEU 19 -19.204 4.125 2.066 155 HG LEU 19 HG LEU 19 -19.779 6.864 0.799 156 HD11 LEU 19 HD11 LEU 19 -19.306 5.135 -0.920 157 HD12 LEU 19 HD12 LEU 19 -21.054 5.584 -0.913 158 HD13 LEU 19 HD13 LEU 19 -20.519 4.029 -0.164 159 HD21 LEU 19 HD21 LEU 19 -22.189 6.252 1.175 160 HD22 LEU 19 HD22 LEU 19 -21.294 6.426 2.723 161 HD23 LEU 19 HD23 LEU 19 -21.665 4.782 2.081 162 H VAL 20 HN VAL 20 -15.885 5.471 2.965 163 HA VAL 20 HA VAL 20 -15.866 3.309 4.828 164 HB VAL 20 HB VAL 20 -14.296 3.438 2.991 165 HG11 VAL 20 HG11 VAL 20 -12.848 5.625 4.635 166 HG12 VAL 20 HG12 VAL 20 -12.269 4.838 3.128 167 HG13 VAL 20 HG13 VAL 20 -13.734 5.882 3.082 168 HG21 VAL 20 HG21 VAL 20 -12.382 2.535 4.282 169 HG22 VAL 20 HG22 VAL 20 -13.000 3.279 5.796 170 HG23 VAL 20 HG23 VAL 20 -13.936 1.963 4.988 171 H THR 21 HN THR 21 -14.921 6.785 5.253 172 HA THR 21 HA THR 21 -14.183 6.495 7.942 173 HB THR 21 HB THR 21 -15.256 9.005 6.594 174 HG1 THR 21 HG1 THR 21 -12.605 8.062 6.972 175 HG21 THR 21 HG21 THR 21 -13.465 8.573 9.103 176 HG22 THR 21 HG22 THR 21 -15.152 9.198 9.134 177 HG23 THR 21 HG23 THR 21 -13.851 10.162 8.351 178 H LYS 22 HN LYS 22 -17.364 7.105 6.487 179 HA LYS 22 HA LYS 22 -19.379 7.391 7.190 180 HB2 LYS 22 HB1 LYS 22 -18.648 5.893 9.734 181 HB3 LYS 22 HB2 LYS 22 -20.270 6.010 9.008 182 HG2 LYS 22 HG1 LYS 22 -19.758 4.531 7.217 183 HG3 LYS 22 HG2 LYS 22 -18.005 4.686 7.397 184 HD2 LYS 22 HD1 LYS 22 -19.892 3.182 9.291 185 HD3 LYS 22 HD2 LYS 22 -18.694 2.505 8.153 186 HE2 LYS 22 HE1 LYS 22 -18.199 3.931 10.832 187 HE3 LYS 22 HE2 LYS 22 -17.658 2.298 10.292 188 HZ1 LYS 22 HZ1 LYS 22 -16.627 4.967 9.527 189 HZ2 LYS 22 HZ2 LYS 22 -16.311 3.657 8.550 190 HZ3 LYS 22 HZ3 LYS 22 -15.778 3.654 10.160 191 H LYS 23 HN LYS 23 -17.292 9.418 8.364 192 HA LYS 23 HA LYS 23 -19.305 10.615 10.169 193 HB2 LYS 23 HB1 LYS 23 -17.906 11.178 11.815 194 HB3 LYS 23 HB2 LYS 23 -17.177 9.645 11.307 195 HG2 LYS 23 HG1 LYS 23 -15.178 10.719 11.160 196 HG3 LYS 23 HG2 LYS 23 -15.806 11.693 9.792 197 HD2 LYS 23 HD1 LYS 23 -16.881 13.244 11.545 198 HD3 LYS 23 HD2 LYS 23 -16.003 12.327 12.808 199 HE2 LYS 23 HE1 LYS 23 -13.800 13.044 11.771 200 HE3 LYS 23 HE2 LYS 23 -14.714 13.940 10.490 201 HZ1 LYS 23 HZ1 LYS 23 -14.054 15.406 12.282 202 HZ2 LYS 23 HZ2 LYS 23 -14.852 14.445 13.427 203 HZ3 LYS 23 HZ3 LYS 23 -15.743 15.256 12.241 204 HN2 ABA 24 HN AGL 24 -18.821 10.899 7.196 205 HA ABA 24 HA AGL 24 -17.857 13.601 6.931 206 HB3 ABA 24 HB2 AGL 24 -17.432 12.080 5.092 207 HB2 ABA 24 HB1 AGL 24 -18.454 13.444 4.560 208 HG3 ABA 24 HG AGL 24 -20.460 11.571 5.188 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 0.582 -1.534 -3.215 2 HA PHE 1 HA PHE 1 1.435 -0.507 -5.438 3 HB2 PHE 1 HB1 PHE 1 -1.011 0.606 -3.910 4 HB3 PHE 1 HB2 PHE 1 -0.732 0.791 -5.683 5 HD1 PHE 1 HD1 PHE 1 -0.176 -1.487 -6.959 6 HD2 PHE 1 HD2 PHE 1 -2.419 -1.161 -3.309 7 HE1 PHE 1 HE1 PHE 1 -1.290 -3.639 -7.453 8 HE2 PHE 1 HE2 PHE 1 -3.542 -3.314 -3.809 9 HZ PHE 1 HZ PHE 1 -2.975 -4.555 -5.882 10 H LEU 2 HN LEU 2 2.605 0.668 -2.864 11 HA LEU 2 HA LEU 2 4.051 2.302 -2.408 12 HB2 LEU 2 HB1 LEU 2 3.435 3.348 -5.211 13 HB3 LEU 2 HB2 LEU 2 4.420 4.293 -4.084 14 HG LEU 2 HG LEU 2 5.999 2.318 -3.844 15 HD11 LEU 2 HD11 LEU 2 6.044 0.671 -5.769 16 HD12 LEU 2 HD12 LEU 2 4.423 1.267 -6.282 17 HD13 LEU 2 HD13 LEU 2 4.619 0.433 -4.697 18 HD21 LEU 2 HD21 LEU 2 7.142 2.835 -6.006 19 HD22 LEU 2 HD22 LEU 2 6.469 4.333 -5.250 20 HD23 LEU 2 HD23 LEU 2 5.620 3.559 -6.641 21 HA PRO 3 HA PRO 3 1.398 5.182 -0.503 22 HB2 PRO 3 HB1 PRO 3 2.819 7.598 -0.104 23 HB3 PRO 3 HB2 PRO 3 3.084 6.076 0.824 24 HG2 PRO 3 HG1 PRO 3 4.622 7.036 -1.650 25 HG3 PRO 3 HG2 PRO 3 5.300 6.435 -0.078 26 HD2 PRO 3 HD1 PRO 3 5.111 4.742 -2.196 27 HD3 PRO 3 HD2 PRO 3 4.559 4.157 -0.563 28 H ILE 4 HN ILE 4 2.742 6.353 -3.470 29 HA ILE 4 HA ILE 4 2.148 8.895 -3.615 30 HB ILE 4 HB ILE 4 1.863 7.057 -6.028 31 HG12 ILE 4 HG11 ILE 4 3.930 6.437 -4.904 32 HG13 ILE 4 HG12 ILE 4 4.275 7.379 -6.374 33 HG21 ILE 4 HG21 ILE 4 2.777 9.083 -7.251 34 HG22 ILE 4 HG22 ILE 4 1.165 9.392 -6.528 35 HG23 ILE 4 HG23 ILE 4 2.644 10.041 -5.733 36 HD11 ILE 4 HD1 ILE 4 4.402 8.500 -3.485 37 HD12 ILE 4 HD2 ILE 4 5.798 8.067 -4.534 38 HD13 ILE 4 HD3 ILE 4 4.728 9.436 -4.989 39 H LEU 5 HN LEU 5 -0.107 6.610 -5.137 40 HA LEU 5 HA LEU 5 -2.091 8.373 -5.819 41 HB2 LEU 5 HB1 LEU 5 -3.418 6.305 -6.213 42 HB3 LEU 5 HB2 LEU 5 -1.736 6.163 -6.782 43 HG LEU 5 HG LEU 5 -1.399 5.093 -4.274 44 HD11 LEU 5 HD11 LEU 5 -3.827 5.264 -3.633 45 HD12 LEU 5 HD12 LEU 5 -3.283 3.554 -3.774 46 HD13 LEU 5 HD13 LEU 5 -4.266 4.293 -5.090 47 HD21 LEU 5 HD21 LEU 5 -0.706 4.069 -6.431 48 HD22 LEU 5 HD22 LEU 5 -2.415 3.583 -6.758 49 HD23 LEU 5 HD23 LEU 5 -1.518 2.880 -5.359 50 H ALA 6 HN ALA 6 -1.479 7.496 -2.510 51 HA ALA 6 HA ALA 6 -4.115 7.418 -1.559 52 HB1 ALA 6 HB1 ALA 6 -3.069 7.940 0.656 53 HB2 ALA 6 HB2 ALA 6 -2.121 6.698 -0.240 54 HB3 ALA 6 HB3 ALA 6 -1.538 8.394 -0.191 55 H SER 7 HN SER 7 -1.978 10.219 -2.247 56 HA SER 7 HA SER 7 -3.729 12.177 -1.144 57 HB2 SER 7 HB1 SER 7 -2.352 13.835 -2.407 58 HB3 SER 7 HB2 SER 7 -1.339 12.669 -1.482 59 HG SER 7 HG1 SER 7 -0.507 12.822 -3.560 60 H LEU 8 HN LEU 8 -3.305 10.857 -4.390 61 HA LEU 8 HA LEU 8 -5.246 12.353 -5.743 62 HB2 LEU 8 HB1 LEU 8 -3.339 10.871 -6.667 63 HB3 LEU 8 HB2 LEU 8 -4.357 9.456 -6.284 64 HG LEU 8 HG LEU 8 -6.154 10.527 -7.837 65 HD11 LEU 8 HD11 LEU 8 -3.696 12.174 -8.740 66 HD12 LEU 8 HD12 LEU 8 -5.154 12.854 -7.926 67 HD13 LEU 8 HD13 LEU 8 -5.294 12.112 -9.561 68 HD21 LEU 8 HD21 LEU 8 -3.451 9.642 -9.033 69 HD22 LEU 8 HD22 LEU 8 -5.039 9.633 -9.880 70 HD23 LEU 8 HD23 LEU 8 -4.770 8.548 -8.466 71 H ALA 9 HN ALA 9 -5.524 9.128 -4.151 72 HA ALA 9 HA ALA 9 -8.233 8.696 -4.591 73 HB1 ALA 9 HB1 ALA 9 -6.441 7.809 -2.245 74 HB2 ALA 9 HB2 ALA 9 -8.012 7.047 -2.709 75 HB3 ALA 9 HB3 ALA 9 -6.595 6.958 -3.819 76 H ALA 10 HN ALA 10 -6.606 10.448 -1.905 77 HA ALA 10 HA ALA 10 -9.104 11.139 -0.660 78 HB1 ALA 10 HB1 ALA 10 -7.627 12.445 0.873 79 HB2 ALA 10 HB2 ALA 10 -6.957 10.796 0.599 80 HB3 ALA 10 HB3 ALA 10 -6.239 12.196 -0.264 81 H LYS 11 HN LYS 11 -8.304 12.066 -3.592 82 HA LYS 11 HA LYS 11 -9.580 14.692 -3.161 83 HB2 LYS 11 HB1 LYS 11 -7.041 14.715 -3.909 84 HB3 LYS 11 HB2 LYS 11 -7.616 14.040 -5.439 85 HG2 LYS 11 HG1 LYS 11 -7.321 16.476 -5.622 86 HG3 LYS 11 HG2 LYS 11 -9.025 16.029 -5.867 87 HD2 LYS 11 HD1 LYS 11 -8.788 18.088 -4.575 88 HD3 LYS 11 HD2 LYS 11 -9.651 16.863 -3.621 89 HE2 LYS 11 HE1 LYS 11 -6.603 17.335 -3.293 90 HE3 LYS 11 HE2 LYS 11 -7.812 18.401 -2.479 91 HZ1 LYS 11 HZ1 LYS 11 -7.750 15.437 -2.128 92 HZ2 LYS 11 HZ2 LYS 11 -8.707 16.528 -1.323 93 HZ3 LYS 11 HZ3 LYS 11 -7.032 16.541 -1.080 94 H PHE 12 HN PHE 12 -9.056 12.054 -5.573 95 HA PHE 12 HA PHE 12 -11.563 12.839 -6.863 96 HB2 PHE 12 HB1 PHE 12 -9.258 10.947 -7.657 97 HB3 PHE 12 HB2 PHE 12 -10.739 11.209 -8.656 98 HD1 PHE 12 HD1 PHE 12 -7.534 12.638 -7.604 99 HD2 PHE 12 HD2 PHE 12 -11.264 13.445 -9.568 100 HE1 PHE 12 HE1 PHE 12 -6.557 14.684 -8.621 101 HE2 PHE 12 HE2 PHE 12 -10.291 15.481 -10.587 102 HZ PHE 12 HZ PHE 12 -7.939 16.103 -10.113 103 H GLY 13 HN GLY 13 -10.723 10.730 -4.376 104 HA2 GLY 13 HA1 GLY 13 -12.908 8.861 -5.082 105 HA3 GLY 13 HA2 GLY 13 -11.547 8.580 -3.959 106 HA PRO 14 HA PRO 14 -14.076 11.100 -1.015 107 HB2 PRO 14 HB1 PRO 14 -16.263 12.689 -1.703 108 HB3 PRO 14 HB2 PRO 14 -14.562 13.268 -1.869 109 HG2 PRO 14 HG1 PRO 14 -16.301 12.007 -4.066 110 HG3 PRO 14 HG2 PRO 14 -15.378 13.564 -4.131 111 HD2 PRO 14 HD1 PRO 14 -14.310 11.224 -5.124 112 HD3 PRO 14 HD2 PRO 14 -13.270 12.423 -4.236 113 H LYS 15 HN LYS 15 -15.791 9.552 -3.577 114 HA LYS 15 HA LYS 15 -18.047 8.522 -2.302 115 HB2 LYS 15 HB1 LYS 15 -17.574 8.444 -4.747 116 HB3 LYS 15 HB2 LYS 15 -16.176 7.359 -4.458 117 HG2 LYS 15 HG1 LYS 15 -17.729 5.537 -3.710 118 HG3 LYS 15 HG2 LYS 15 -19.110 6.662 -3.824 119 HD2 LYS 15 HD1 LYS 15 -19.160 5.234 -5.760 120 HD3 LYS 15 HD2 LYS 15 -18.749 6.898 -6.289 121 HE2 LYS 15 HE1 LYS 15 -16.310 6.215 -6.498 122 HE3 LYS 15 HE2 LYS 15 -16.745 4.548 -5.951 123 HZ1 LYS 15 HZ1 LYS 15 -17.777 5.918 -8.396 124 HZ2 LYS 15 HZ2 LYS 15 -18.185 4.356 -7.890 125 HZ3 LYS 15 HZ3 LYS 15 -16.597 4.710 -8.351 126 H LEU 16 HN LEU 16 -14.657 7.270 -2.269 127 HA LEU 16 HA LEU 16 -15.382 5.051 -0.538 128 HB2 LEU 16 HB1 LEU 16 -12.661 6.237 -1.356 129 HB3 LEU 16 HB2 LEU 16 -12.886 4.723 -0.426 130 HG LEU 16 HG LEU 16 -13.870 5.188 -3.304 131 HD11 LEU 16 HD11 LEU 16 -11.981 3.688 -3.954 132 HD12 LEU 16 HD12 LEU 16 -11.437 3.621 -2.239 133 HD13 LEU 16 HD13 LEU 16 -11.378 5.180 -3.139 134 HD21 LEU 16 HD21 LEU 16 -13.757 2.635 -1.569 135 HD22 LEU 16 HD22 LEU 16 -14.166 2.682 -3.320 136 HD23 LEU 16 HD23 LEU 16 -15.255 3.473 -2.121 137 H PHE 17 HN PHE 17 -13.790 8.239 -0.280 138 HA PHE 17 HA PHE 17 -12.825 7.930 2.264 139 HB2 PHE 17 HB1 PHE 17 -12.458 9.744 0.304 140 HB3 PHE 17 HB2 PHE 17 -13.589 10.727 1.299 141 HD1 PHE 17 HD1 PHE 17 -12.959 11.032 3.811 142 HD2 PHE 17 HD2 PHE 17 -10.225 9.443 0.899 143 HE1 PHE 17 HE1 PHE 17 -11.068 11.524 5.318 144 HE2 PHE 17 HE2 PHE 17 -8.329 9.937 2.414 145 HZ PHE 17 HZ PHE 17 -8.748 10.986 4.623 146 HN2 ABA 18 HN AGL 18 -15.987 9.403 1.352 147 HA ABA 18 HA AGL 18 -16.636 10.222 3.946 148 HB3 ABA 18 HB2 AGL 18 -18.993 9.437 2.241 149 HB2 ABA 18 HB1 AGL 18 -17.788 10.356 1.338 150 HG3 ABA 18 HG AGL 18 -17.960 12.327 2.751 151 H LEU 19 HN LEU 19 -17.165 7.109 2.349 152 HA LEU 19 HA LEU 19 -18.760 5.985 4.441 153 HB2 LEU 19 HB1 LEU 19 -17.140 4.681 2.178 154 HB3 LEU 19 HB2 LEU 19 -18.328 3.828 3.214 155 HG LEU 19 HG LEU 19 -18.973 6.136 1.283 156 HD11 LEU 19 HD11 LEU 19 -18.273 4.072 0.102 157 HD12 LEU 19 HD12 LEU 19 -20.038 4.370 -0.112 158 HD13 LEU 19 HD13 LEU 19 -19.471 3.103 1.044 159 HD21 LEU 19 HD21 LEU 19 -20.599 6.078 3.179 160 HD22 LEU 19 HD22 LEU 19 -20.831 4.304 2.940 161 HD23 LEU 19 HD23 LEU 19 -21.368 5.466 1.671 162 H VAL 20 HN VAL 20 -15.240 5.651 3.568 163 HA VAL 20 HA VAL 20 -14.796 3.734 5.562 164 HB VAL 20 HB VAL 20 -13.427 4.040 3.521 165 HG11 VAL 20 HG11 VAL 20 -11.991 6.239 5.160 166 HG12 VAL 20 HG12 VAL 20 -11.548 5.625 3.530 167 HG13 VAL 20 HG13 VAL 20 -13.084 6.546 3.761 168 HG21 VAL 20 HG21 VAL 20 -12.789 2.531 5.424 169 HG22 VAL 20 HG22 VAL 20 -11.340 3.267 4.644 170 HG23 VAL 20 HG23 VAL 20 -11.925 3.896 6.224 171 H THR 21 HN THR 21 -14.434 7.296 5.750 172 HA THR 21 HA THR 21 -13.543 7.074 8.509 173 HB THR 21 HB THR 21 -14.371 9.637 7.089 174 HG1 THR 21 HG1 THR 21 -11.840 8.386 7.061 175 HG21 THR 21 HG21 THR 21 -12.253 8.965 9.271 176 HG22 THR 21 HG22 THR 21 -13.790 9.862 9.549 177 HG23 THR 21 HG23 THR 21 -12.508 10.585 8.525 178 H LYS 22 HN LYS 22 -16.403 6.420 7.236 179 HA LYS 22 HA LYS 22 -18.518 6.413 7.788 180 HB2 LYS 22 HB1 LYS 22 -17.104 5.256 9.651 181 HB3 LYS 22 HB2 LYS 22 -17.572 6.646 10.672 182 HG2 LYS 22 HG1 LYS 22 -20.055 5.988 10.049 183 HG3 LYS 22 HG2 LYS 22 -19.366 4.460 9.429 184 HD2 LYS 22 HD1 LYS 22 -19.135 5.618 12.282 185 HD3 LYS 22 HD2 LYS 22 -20.233 4.293 11.775 186 HE2 LYS 22 HE1 LYS 22 -18.250 2.819 11.276 187 HE3 LYS 22 HE2 LYS 22 -17.127 4.150 11.766 188 HZ1 LYS 22 HZ1 LYS 22 -18.116 4.113 13.961 189 HZ2 LYS 22 HZ2 LYS 22 -17.492 2.591 13.555 190 HZ3 LYS 22 HZ3 LYS 22 -19.166 2.861 13.517 191 H LYS 23 HN LYS 23 -17.540 9.235 7.448 192 HA LYS 23 HA LYS 23 -19.078 10.636 9.531 193 HB2 LYS 23 HB1 LYS 23 -16.577 10.957 8.906 194 HB3 LYS 23 HB2 LYS 23 -17.160 11.977 7.569 195 HG2 LYS 23 HG1 LYS 23 -17.926 12.365 10.557 196 HG3 LYS 23 HG2 LYS 23 -16.436 13.025 9.859 197 HD2 LYS 23 HD1 LYS 23 -17.411 14.814 8.990 198 HD3 LYS 23 HD2 LYS 23 -18.633 13.862 8.127 199 HE2 LYS 23 HE1 LYS 23 -18.830 14.814 11.082 200 HE3 LYS 23 HE2 LYS 23 -19.672 15.540 9.655 201 HZ1 LYS 23 HZ1 LYS 23 -20.106 12.887 10.903 202 HZ2 LYS 23 HZ2 LYS 23 -20.561 13.192 9.317 203 HZ3 LYS 23 HZ3 LYS 23 -21.238 14.112 10.572 204 HN2 ABA 24 HN AGL 24 -19.427 9.783 6.207 205 HA ABA 24 HA AGL 24 -21.426 11.897 5.756 206 HB3 ABA 24 HB2 AGL 24 -21.664 10.791 3.481 207 HB2 ABA 24 HB1 AGL 24 -20.395 9.619 3.966 208 HG3 ABA 24 HG AGL 24 -19.918 12.710 4.040 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 6.422 -0.819 -1.527 2 HA PHE 1 HA PHE 1 4.052 0.213 -1.694 3 HB2 PHE 1 HB1 PHE 1 6.244 1.588 -0.004 4 HB3 PHE 1 HB2 PHE 1 4.472 1.643 0.333 5 HD1 PHE 1 HD1 PHE 1 3.322 -0.790 0.478 6 HD2 PHE 1 HD2 PHE 1 7.482 0.039 1.183 7 HE1 PHE 1 HE1 PHE 1 3.496 -2.830 1.866 8 HE2 PHE 1 HE2 PHE 1 7.651 -2.000 2.577 9 HZ PHE 1 HZ PHE 1 5.656 -3.435 2.923 10 H LEU 2 HN LEU 2 3.248 1.445 -3.367 11 HA LEU 2 HA LEU 2 4.547 4.070 -3.841 12 HB2 LEU 2 HB1 LEU 2 3.040 2.253 -5.763 13 HB3 LEU 2 HB2 LEU 2 3.379 3.979 -6.066 14 HG LEU 2 HG LEU 2 5.899 3.334 -5.558 15 HD11 LEU 2 HD11 LEU 2 5.562 0.933 -4.920 16 HD12 LEU 2 HD12 LEU 2 6.497 1.047 -6.450 17 HD13 LEU 2 HD13 LEU 2 4.752 0.623 -6.498 18 HD21 LEU 2 HD21 LEU 2 6.206 2.927 -8.023 19 HD22 LEU 2 HD22 LEU 2 4.999 4.236 -7.711 20 HD23 LEU 2 HD23 LEU 2 4.450 2.586 -8.174 21 HA PRO 3 HA PRO 3 0.370 4.872 -2.283 22 HB2 PRO 3 HB1 PRO 3 0.890 6.693 -0.304 23 HB3 PRO 3 HB2 PRO 3 1.534 5.013 -0.184 24 HG2 PRO 3 HG1 PRO 3 3.015 7.487 -1.268 25 HG3 PRO 3 HG2 PRO 3 3.560 6.357 0.043 26 HD2 PRO 3 HD1 PRO 3 4.338 6.015 -2.605 27 HD3 PRO 3 HD2 PRO 3 3.985 4.604 -1.509 28 H ILE 4 HN ILE 4 2.014 6.626 -4.422 29 HA ILE 4 HA ILE 4 1.040 9.146 -4.648 30 HB ILE 4 HB ILE 4 1.326 7.132 -6.925 31 HG12 ILE 4 HG11 ILE 4 3.500 8.633 -7.194 32 HG13 ILE 4 HG12 ILE 4 3.336 8.919 -5.444 33 HG21 ILE 4 HG21 ILE 4 1.250 10.230 -6.885 34 HG22 ILE 4 HG22 ILE 4 1.678 9.217 -8.305 35 HG23 ILE 4 HG23 ILE 4 0.019 9.143 -7.640 36 HD11 ILE 4 HD1 ILE 4 3.584 6.427 -5.041 37 HD12 ILE 4 HD2 ILE 4 3.514 6.140 -6.826 38 HD13 ILE 4 HD3 ILE 4 4.912 7.008 -6.103 39 H LEU 5 HN LEU 5 -0.683 6.329 -6.121 40 HA LEU 5 HA LEU 5 -2.944 7.775 -6.806 41 HB2 LEU 5 HB1 LEU 5 -2.652 4.776 -6.259 42 HB3 LEU 5 HB2 LEU 5 -4.018 5.543 -7.124 43 HG LEU 5 HG LEU 5 -1.086 5.539 -8.065 44 HD11 LEU 5 HD11 LEU 5 -3.576 4.018 -9.061 45 HD12 LEU 5 HD12 LEU 5 -2.206 3.305 -8.134 46 HD13 LEU 5 HD13 LEU 5 -1.933 3.954 -9.795 47 HD21 LEU 5 HD21 LEU 5 -3.635 6.609 -9.449 48 HD22 LEU 5 HD22 LEU 5 -2.027 6.412 -10.227 49 HD23 LEU 5 HD23 LEU 5 -2.228 7.597 -8.895 50 H ALA 6 HN ALA 6 -2.299 6.155 -3.669 51 HA ALA 6 HA ALA 6 -4.925 6.407 -2.651 52 HB1 ALA 6 HB1 ALA 6 -3.139 4.953 -1.651 53 HB2 ALA 6 HB2 ALA 6 -2.203 6.425 -1.203 54 HB3 ALA 6 HB3 ALA 6 -3.803 6.102 -0.436 55 H SER 7 HN SER 7 -2.166 8.650 -2.691 56 HA SER 7 HA SER 7 -3.316 10.674 -1.085 57 HB2 SER 7 HB1 SER 7 -1.185 10.955 -3.292 58 HB3 SER 7 HB2 SER 7 -1.617 12.218 -2.091 59 HG SER 7 HG1 SER 7 -0.486 9.661 -1.578 60 H LEU 8 HN LEU 8 -3.451 10.018 -4.542 61 HA LEU 8 HA LEU 8 -4.892 12.337 -5.349 62 HB2 LEU 8 HB1 LEU 8 -3.410 10.878 -6.820 63 HB3 LEU 8 HB2 LEU 8 -4.583 9.550 -6.626 64 HG LEU 8 HG LEU 8 -6.345 11.080 -7.724 65 HD11 LEU 8 HD11 LEU 8 -5.182 13.296 -7.458 66 HD12 LEU 8 HD12 LEU 8 -5.477 12.900 -9.189 67 HD13 LEU 8 HD13 LEU 8 -3.830 12.702 -8.503 68 HD21 LEU 8 HD21 LEU 8 -3.871 10.265 -9.373 69 HD22 LEU 8 HD22 LEU 8 -5.521 10.587 -10.013 70 HD23 LEU 8 HD23 LEU 8 -5.248 9.189 -8.912 71 H ALA 9 HN ALA 9 -5.857 8.924 -4.672 72 HA ALA 9 HA ALA 9 -8.539 9.110 -5.194 73 HB1 ALA 9 HB1 ALA 9 -7.250 6.983 -4.915 74 HB2 ALA 9 HB2 ALA 9 -7.066 7.327 -3.158 75 HB3 ALA 9 HB3 ALA 9 -8.702 6.997 -3.852 76 H ALA 10 HN ALA 10 -6.845 9.913 -2.170 77 HA ALA 10 HA ALA 10 -9.123 10.421 -0.623 78 HB1 ALA 10 HB1 ALA 10 -6.822 10.122 0.261 79 HB2 ALA 10 HB2 ALA 10 -6.306 11.651 -0.531 80 HB3 ALA 10 HB3 ALA 10 -7.518 11.683 0.823 81 H LYS 11 HN LYS 11 -8.233 12.195 -3.435 82 HA LYS 11 HA LYS 11 -9.851 14.519 -2.508 83 HB2 LYS 11 HB1 LYS 11 -7.650 14.305 -4.644 84 HB3 LYS 11 HB2 LYS 11 -8.828 15.647 -4.624 85 HG2 LYS 11 HG1 LYS 11 -6.728 16.362 -3.653 86 HG3 LYS 11 HG2 LYS 11 -8.051 16.445 -2.443 87 HD2 LYS 11 HD1 LYS 11 -7.282 14.463 -1.311 88 HD3 LYS 11 HD2 LYS 11 -6.209 14.022 -2.685 89 HE2 LYS 11 HE1 LYS 11 -4.709 15.981 -2.100 90 HE3 LYS 11 HE2 LYS 11 -5.773 16.332 -0.669 91 HZ1 LYS 11 HZ1 LYS 11 -3.844 14.862 -0.174 92 HZ2 LYS 11 HZ2 LYS 11 -4.504 13.708 -1.245 93 HZ3 LYS 11 HZ3 LYS 11 -5.353 14.141 0.149 94 H PHE 12 HN PHE 12 -9.220 12.241 -5.253 95 HA PHE 12 HA PHE 12 -11.616 13.266 -6.572 96 HB2 PHE 12 HB1 PHE 12 -9.348 11.360 -7.402 97 HB3 PHE 12 HB2 PHE 12 -10.795 11.664 -8.438 98 HD1 PHE 12 HD1 PHE 12 -7.679 13.136 -7.122 99 HD2 PHE 12 HD2 PHE 12 -11.281 13.874 -9.339 100 HE1 PHE 12 HE1 PHE 12 -6.700 15.235 -8.018 101 HE2 PHE 12 HE2 PHE 12 -10.304 15.963 -10.237 102 HZ PHE 12 HZ PHE 12 -8.013 16.644 -9.580 103 H GLY 13 HN GLY 13 -11.112 10.838 -4.288 104 HA2 GLY 13 HA1 GLY 13 -13.526 9.394 -5.238 105 HA3 GLY 13 HA2 GLY 13 -12.204 8.728 -4.230 106 HA PRO 14 HA PRO 14 -14.109 11.410 -0.972 107 HB2 PRO 14 HB1 PRO 14 -16.221 13.198 -1.387 108 HB3 PRO 14 HB2 PRO 14 -14.502 13.618 -1.743 109 HG2 PRO 14 HG1 PRO 14 -16.583 12.551 -3.740 110 HG3 PRO 14 HG2 PRO 14 -15.539 14.025 -3.893 111 HD2 PRO 14 HD1 PRO 14 -14.760 11.645 -5.032 112 HD3 PRO 14 HD2 PRO 14 -13.554 12.712 -4.189 113 H LYS 15 HN LYS 15 -16.358 10.042 -3.267 114 HA LYS 15 HA LYS 15 -18.457 9.301 -1.554 115 HB2 LYS 15 HB1 LYS 15 -18.523 9.110 -4.048 116 HB3 LYS 15 HB2 LYS 15 -17.217 7.891 -3.996 117 HG2 LYS 15 HG1 LYS 15 -18.792 6.341 -2.702 118 HG3 LYS 15 HG2 LYS 15 -20.092 7.552 -2.928 119 HD2 LYS 15 HD1 LYS 15 -19.869 7.320 -5.413 120 HD3 LYS 15 HD2 LYS 15 -18.477 6.208 -5.189 121 HE2 LYS 15 HE1 LYS 15 -20.000 4.547 -4.017 122 HE3 LYS 15 HE2 LYS 15 -21.404 5.640 -4.332 123 HZ1 LYS 15 HZ1 LYS 15 -20.952 5.421 -6.709 124 HZ2 LYS 15 HZ2 LYS 15 -21.215 3.907 -5.994 125 HZ3 LYS 15 HZ3 LYS 15 -19.646 4.393 -6.399 126 H LEU 16 HN LEU 16 -15.344 7.607 -2.248 127 HA LEU 16 HA LEU 16 -15.947 5.368 -0.568 128 HB2 LEU 16 HB1 LEU 16 -13.274 6.452 -1.643 129 HB3 LEU 16 HB2 LEU 16 -13.504 4.850 -0.874 130 HG LEU 16 HG LEU 16 -14.805 5.769 -3.510 131 HD11 LEU 16 HD11 LEU 16 -12.464 3.835 -2.979 132 HD12 LEU 16 HD12 LEU 16 -12.332 5.486 -3.689 133 HD13 LEU 16 HD13 LEU 16 -13.205 4.186 -4.582 134 HD21 LEU 16 HD21 LEU 16 -14.783 3.015 -2.111 135 HD22 LEU 16 HD22 LEU 16 -15.387 3.330 -3.775 136 HD23 LEU 16 HD23 LEU 16 -16.230 4.064 -2.359 137 H PHE 17 HN PHE 17 -14.099 8.387 -0.205 138 HA PHE 17 HA PHE 17 -13.023 7.849 2.291 139 HB2 PHE 17 HB1 PHE 17 -12.579 9.744 0.433 140 HB3 PHE 17 HB2 PHE 17 -13.701 10.723 1.438 141 HD1 PHE 17 HD1 PHE 17 -13.062 11.136 3.879 142 HD2 PHE 17 HD2 PHE 17 -10.405 9.181 1.127 143 HE1 PHE 17 HE1 PHE 17 -11.175 11.495 5.442 144 HE2 PHE 17 HE2 PHE 17 -8.515 9.552 2.685 145 HZ PHE 17 HZ PHE 17 -8.904 10.700 4.851 146 HN2 ABA 18 HN AGL 18 -16.112 9.538 1.502 147 HA ABA 18 HA AGL 18 -16.843 10.066 4.168 148 HB3 ABA 18 HB2 AGL 18 -18.441 9.714 1.574 149 HB2 ABA 18 HB1 AGL 18 -17.837 11.237 2.244 150 HG3 ABA 18 HG AGL 18 -20.350 9.699 3.001 151 H LEU 19 HN LEU 19 -17.650 7.206 2.078 152 HA LEU 19 HA LEU 19 -19.242 5.988 4.061 153 HB2 LEU 19 HB1 LEU 19 -17.764 4.851 1.636 154 HB3 LEU 19 HB2 LEU 19 -18.920 3.897 2.624 155 HG LEU 19 HG LEU 19 -19.645 6.492 1.144 156 HD11 LEU 19 HD11 LEU 19 -20.178 3.566 0.335 157 HD12 LEU 19 HD12 LEU 19 -19.038 4.711 -0.477 158 HD13 LEU 19 HD13 LEU 19 -20.815 5.034 -0.495 159 HD21 LEU 19 HD21 LEU 19 -21.407 4.358 2.511 160 HD22 LEU 19 HD22 LEU 19 -22.010 5.743 1.527 161 HD23 LEU 19 HD23 LEU 19 -21.154 6.052 3.078 162 H VAL 20 HN VAL 20 -15.722 5.420 3.321 163 HA VAL 20 HA VAL 20 -15.566 3.389 5.281 164 HB VAL 20 HB VAL 20 -14.042 3.618 3.349 165 HG11 VAL 20 HG11 VAL 20 -13.496 6.096 3.604 166 HG12 VAL 20 HG12 VAL 20 -12.543 5.696 5.084 167 HG13 VAL 20 HG13 VAL 20 -12.046 5.034 3.494 168 HG21 VAL 20 HG21 VAL 20 -12.095 2.701 4.607 169 HG22 VAL 20 HG22 VAL 20 -12.749 3.358 6.147 170 HG23 VAL 20 HG23 VAL 20 -13.643 2.060 5.270 171 H THR 21 HN THR 21 -14.788 6.877 5.487 172 HA THR 21 HA THR 21 -13.986 6.698 8.215 173 HB THR 21 HB THR 21 -14.879 9.315 6.954 174 HG1 THR 21 HG1 THR 21 -13.527 8.592 5.446 175 HG21 THR 21 HG21 THR 21 -14.083 9.218 9.413 176 HG22 THR 21 HG22 THR 21 -12.954 10.144 8.349 177 HG23 THR 21 HG23 THR 21 -12.556 8.462 8.833 178 H LYS 22 HN LYS 22 -17.043 6.792 6.690 179 HA LYS 22 HA LYS 22 -19.108 6.717 7.359 180 HB2 LYS 22 HB1 LYS 22 -17.750 4.995 8.751 181 HB3 LYS 22 HB2 LYS 22 -18.101 6.068 10.153 182 HG2 LYS 22 HG1 LYS 22 -20.618 5.746 9.507 183 HG3 LYS 22 HG2 LYS 22 -20.071 4.461 8.397 184 HD2 LYS 22 HD1 LYS 22 -19.722 4.577 11.478 185 HD3 LYS 22 HD2 LYS 22 -20.889 3.596 10.564 186 HE2 LYS 22 HE1 LYS 22 -19.207 2.049 11.221 187 HE3 LYS 22 HE2 LYS 22 -18.900 2.353 9.466 188 HZ1 LYS 22 HZ1 LYS 22 -17.476 3.632 11.760 189 HZ2 LYS 22 HZ2 LYS 22 -17.177 3.920 10.120 190 HZ3 LYS 22 HZ3 LYS 22 -16.866 2.389 10.776 191 H LYS 23 HN LYS 23 -17.664 9.408 8.006 192 HA LYS 23 HA LYS 23 -19.837 10.471 9.730 193 HB2 LYS 23 HB1 LYS 23 -18.310 11.660 11.134 194 HB3 LYS 23 HB2 LYS 23 -17.808 9.960 11.117 195 HG2 LYS 23 HG1 LYS 23 -15.837 10.323 10.054 196 HG3 LYS 23 HG2 LYS 23 -16.382 11.694 9.058 197 HD2 LYS 23 HD1 LYS 23 -16.004 11.987 12.104 198 HD3 LYS 23 HD2 LYS 23 -14.641 12.080 10.964 199 HE2 LYS 23 HE1 LYS 23 -15.362 14.355 11.488 200 HE3 LYS 23 HE2 LYS 23 -15.655 13.996 9.744 201 HZ1 LYS 23 HZ1 LYS 23 -17.737 13.850 11.875 202 HZ2 LYS 23 HZ2 LYS 23 -17.952 13.663 10.208 203 HZ3 LYS 23 HZ3 LYS 23 -17.507 15.164 10.824 204 HN2 ABA 24 HN AGL 24 -19.218 10.779 6.713 205 HA ABA 24 HA AGL 24 -18.436 13.530 6.484 206 HB3 ABA 24 HB2 AGL 24 -17.881 12.093 4.656 207 HB2 ABA 24 HB1 AGL 24 -19.025 13.333 4.087 208 HG3 ABA 24 HG AGL 24 -20.884 11.335 4.637 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 0.951 0.800 0.529 2 HA PHE 1 HA PHE 1 0.251 -0.264 -1.866 3 HB2 PHE 1 HB1 PHE 1 -2.129 0.416 -1.043 4 HB3 PHE 1 HB2 PHE 1 -1.606 2.126 -1.186 5 HD1 PHE 1 HD1 PHE 1 -2.037 3.179 -3.270 6 HD2 PHE 1 HD2 PHE 1 -1.726 -1.106 -3.147 7 HE1 PHE 1 HE1 PHE 1 -2.655 3.059 -5.672 8 HE2 PHE 1 HE2 PHE 1 -2.330 -1.218 -5.545 9 HZ PHE 1 HZ PHE 1 -2.788 0.863 -6.808 10 H LEU 2 HN LEU 2 0.300 1.915 -3.570 11 HA LEU 2 HA LEU 2 2.893 3.015 -2.996 12 HB2 LEU 2 HB1 LEU 2 1.029 3.242 -5.397 13 HB3 LEU 2 HB2 LEU 2 2.561 4.161 -5.257 14 HG LEU 2 HG LEU 2 3.794 1.950 -4.968 15 HD11 LEU 2 HD11 LEU 2 2.710 -0.076 -6.027 16 HD12 LEU 2 HD12 LEU 2 1.125 0.773 -5.988 17 HD13 LEU 2 HD13 LEU 2 1.973 0.350 -4.449 18 HD21 LEU 2 HD21 LEU 2 3.806 3.304 -7.069 19 HD22 LEU 2 HD22 LEU 2 2.307 2.463 -7.620 20 HD23 LEU 2 HD23 LEU 2 3.836 1.536 -7.425 21 HA PRO 3 HA PRO 3 0.655 6.055 -0.847 22 HB2 PRO 3 HB1 PRO 3 2.661 7.811 0.089 23 HB3 PRO 3 HB2 PRO 3 2.418 6.125 0.679 24 HG2 PRO 3 HG1 PRO 3 4.355 7.048 -1.516 25 HG3 PRO 3 HG2 PRO 3 4.713 6.016 -0.067 26 HD2 PRO 3 HD1 PRO 3 4.203 4.837 -2.485 27 HD3 PRO 3 HD2 PRO 3 3.435 4.161 -0.978 28 H ILE 4 HN ILE 4 2.649 7.369 -3.404 29 HA ILE 4 HA ILE 4 1.615 9.861 -3.886 30 HB ILE 4 HB ILE 4 2.205 7.690 -5.944 31 HG12 ILE 4 HG11 ILE 4 4.038 9.838 -4.715 32 HG13 ILE 4 HG12 ILE 4 4.106 8.091 -4.325 33 HG21 ILE 4 HG21 ILE 4 2.103 10.785 -6.157 34 HG22 ILE 4 HG22 ILE 4 2.592 9.664 -7.475 35 HG23 ILE 4 HG23 ILE 4 0.907 9.653 -6.891 36 HD11 ILE 4 HD1 ILE 4 4.707 9.356 -7.072 37 HD12 ILE 4 HD2 ILE 4 5.867 8.582 -5.943 38 HD13 ILE 4 HD3 ILE 4 4.610 7.584 -6.765 39 H LEU 5 HN LEU 5 0.242 6.863 -5.298 40 HA LEU 5 HA LEU 5 -2.106 7.988 -6.256 41 HB2 LEU 5 HB1 LEU 5 -1.379 5.097 -5.505 42 HB3 LEU 5 HB2 LEU 5 -2.890 5.566 -6.342 43 HG LEU 5 HG LEU 5 -1.447 4.684 -7.961 44 HD11 LEU 5 HD11 LEU 5 -2.790 6.683 -8.660 45 HD12 LEU 5 HD12 LEU 5 -1.286 6.476 -9.626 46 HD13 LEU 5 HD13 LEU 5 -1.358 7.741 -8.353 47 HD21 LEU 5 HD21 LEU 5 0.779 5.386 -8.554 48 HD22 LEU 5 HD22 LEU 5 0.770 5.007 -6.793 49 HD23 LEU 5 HD23 LEU 5 0.765 6.731 -7.369 50 H ALA 6 HN ALA 6 -1.412 6.683 -2.991 51 HA ALA 6 HA ALA 6 -4.084 6.599 -2.126 52 HB1 ALA 6 HB1 ALA 6 -3.149 6.675 0.163 53 HB2 ALA 6 HB2 ALA 6 -2.155 5.593 -0.876 54 HB3 ALA 6 HB3 ALA 6 -1.568 7.250 -0.481 55 H SER 7 HN SER 7 -1.793 9.385 -2.171 56 HA SER 7 HA SER 7 -3.685 11.215 -1.070 57 HB2 SER 7 HB1 SER 7 -1.223 11.689 -1.155 58 HB3 SER 7 HB2 SER 7 -1.364 11.934 -2.928 59 HG SER 7 HG1 SER 7 -1.508 13.874 -1.681 60 H LEU 8 HN LEU 8 -3.046 10.199 -4.452 61 HA LEU 8 HA LEU 8 -4.810 12.029 -5.669 62 HB2 LEU 8 HB1 LEU 8 -3.014 10.549 -6.768 63 HB3 LEU 8 HB2 LEU 8 -4.132 9.169 -6.566 64 HG LEU 8 HG LEU 8 -5.835 10.463 -7.990 65 HD11 LEU 8 HD11 LEU 8 -4.871 12.780 -7.732 66 HD12 LEU 8 HD12 LEU 8 -4.948 12.277 -9.458 67 HD13 LEU 8 HD13 LEU 8 -3.374 12.240 -8.588 68 HD21 LEU 8 HD21 LEU 8 -4.703 9.887 -10.129 69 HD22 LEU 8 HD22 LEU 8 -4.436 8.603 -8.894 70 HD23 LEU 8 HD23 LEU 8 -3.119 9.776 -9.283 71 H ALA 9 HN ALA 9 -5.392 8.691 -4.460 72 HA ALA 9 HA ALA 9 -8.125 8.553 -4.980 73 HB1 ALA 9 HB1 ALA 9 -6.456 7.248 -2.741 74 HB2 ALA 9 HB2 ALA 9 -8.084 6.692 -3.292 75 HB3 ALA 9 HB3 ALA 9 -6.669 6.600 -4.403 76 H ALA 10 HN ALA 10 -6.439 9.747 -2.011 77 HA ALA 10 HA ALA 10 -8.897 10.663 -0.827 78 HB1 ALA 10 HB1 ALA 10 -7.387 11.600 0.923 79 HB2 ALA 10 HB2 ALA 10 -6.936 9.901 0.535 80 HB3 ALA 10 HB3 ALA 10 -5.959 11.252 -0.133 81 H LYS 11 HN LYS 11 -8.631 11.640 -3.422 82 HA LYS 11 HA LYS 11 -9.035 14.463 -2.953 83 HB2 LYS 11 HB1 LYS 11 -6.550 13.647 -4.048 84 HB3 LYS 11 HB2 LYS 11 -7.507 13.923 -5.506 85 HG2 LYS 11 HG1 LYS 11 -6.342 15.980 -5.032 86 HG3 LYS 11 HG2 LYS 11 -8.076 16.230 -4.715 87 HD2 LYS 11 HD1 LYS 11 -6.918 17.362 -3.010 88 HD3 LYS 11 HD2 LYS 11 -7.629 15.948 -2.203 89 HE2 LYS 11 HE1 LYS 11 -4.673 16.096 -3.163 90 HE3 LYS 11 HE2 LYS 11 -5.222 16.656 -1.537 91 HZ1 LYS 11 HZ1 LYS 11 -4.443 14.430 -1.303 92 HZ2 LYS 11 HZ2 LYS 11 -5.326 13.870 -2.588 93 HZ3 LYS 11 HZ3 LYS 11 -6.149 14.361 -1.239 94 H PHE 12 HN PHE 12 -8.802 12.037 -5.640 95 HA PHE 12 HA PHE 12 -11.289 13.065 -6.742 96 HB2 PHE 12 HB1 PHE 12 -9.204 10.986 -7.674 97 HB3 PHE 12 HB2 PHE 12 -10.702 11.364 -8.605 98 HD1 PHE 12 HD1 PHE 12 -7.354 12.553 -7.705 99 HD2 PHE 12 HD2 PHE 12 -11.111 13.615 -9.490 100 HE1 PHE 12 HE1 PHE 12 -6.284 14.512 -8.800 101 HE2 PHE 12 HE2 PHE 12 -10.043 15.558 -10.591 102 HZ PHE 12 HZ PHE 12 -7.630 16.007 -10.247 103 H GLY 13 HN GLY 13 -10.614 10.677 -4.422 104 HA2 GLY 13 HA1 GLY 13 -13.027 9.135 -5.175 105 HA3 GLY 13 HA2 GLY 13 -11.653 8.595 -4.168 106 HA PRO 14 HA PRO 14 -13.860 11.164 -0.947 107 HB2 PRO 14 HB1 PRO 14 -16.071 12.786 -1.487 108 HB3 PRO 14 HB2 PRO 14 -14.373 13.351 -1.714 109 HG2 PRO 14 HG1 PRO 14 -16.222 12.170 -3.864 110 HG3 PRO 14 HG2 PRO 14 -15.282 13.718 -3.927 111 HD2 PRO 14 HD1 PRO 14 -14.286 11.403 -5.035 112 HD3 PRO 14 HD2 PRO 14 -13.193 12.552 -4.148 113 H LYS 15 HN LYS 15 -15.756 9.707 -3.441 114 HA LYS 15 HA LYS 15 -17.928 8.631 -2.058 115 HB2 LYS 15 HB1 LYS 15 -17.590 8.619 -4.533 116 HB3 LYS 15 HB2 LYS 15 -16.148 7.581 -4.347 117 HG2 LYS 15 HG1 LYS 15 -17.628 5.702 -3.520 118 HG3 LYS 15 HG2 LYS 15 -19.061 6.751 -3.775 119 HD2 LYS 15 HD1 LYS 15 -18.472 6.958 -6.205 120 HD3 LYS 15 HD2 LYS 15 -16.999 5.969 -5.937 121 HE2 LYS 15 HE1 LYS 15 -18.435 3.984 -5.316 122 HE3 LYS 15 HE2 LYS 15 -19.918 4.974 -5.621 123 HZ1 LYS 15 HZ1 LYS 15 -19.329 3.621 -7.530 124 HZ2 LYS 15 HZ2 LYS 15 -17.797 4.328 -7.623 125 HZ3 LYS 15 HZ3 LYS 15 -19.175 5.261 -7.913 126 H LEU 16 HN LEU 16 -14.571 7.295 -2.397 127 HA LEU 16 HA LEU 16 -15.147 5.027 -0.711 128 HB2 LEU 16 HB1 LEU 16 -12.504 6.267 -1.679 129 HB3 LEU 16 HB2 LEU 16 -12.641 4.713 -0.800 130 HG LEU 16 HG LEU 16 -13.874 5.288 -3.558 131 HD11 LEU 16 HD11 LEU 16 -11.363 3.682 -2.770 132 HD12 LEU 16 HD12 LEU 16 -11.377 5.275 -3.611 133 HD13 LEU 16 HD13 LEU 16 -12.054 3.816 -4.427 134 HD21 LEU 16 HD21 LEU 16 -13.619 2.671 -1.937 135 HD22 LEU 16 HD22 LEU 16 -14.170 2.783 -3.644 136 HD23 LEU 16 HD23 LEU 16 -15.158 3.525 -2.332 137 H PHE 17 HN PHE 17 -13.599 8.215 -0.327 138 HA PHE 17 HA PHE 17 -12.555 7.798 2.190 139 HB2 PHE 17 HB1 PHE 17 -12.195 9.708 0.388 140 HB3 PHE 17 HB2 PHE 17 -13.516 10.566 1.254 141 HD1 PHE 17 HD1 PHE 17 -13.133 11.314 3.599 142 HD2 PHE 17 HD2 PHE 17 -10.068 9.247 1.408 143 HE1 PHE 17 HE1 PHE 17 -11.459 11.998 5.291 144 HE2 PHE 17 HE2 PHE 17 -8.393 9.940 3.098 145 HZ PHE 17 HZ PHE 17 -9.090 11.316 5.040 146 HN2 ABA 18 HN AGL 18 -15.801 9.185 1.383 147 HA ABA 18 HA AGL 18 -16.593 9.546 4.061 148 HB3 ABA 18 HB2 AGL 18 -18.206 9.083 1.499 149 HB2 ABA 18 HB1 AGL 18 -17.725 10.652 2.172 150 HG3 ABA 18 HG AGL 18 -20.034 8.854 3.014 151 H LEU 19 HN LEU 19 -16.913 6.629 1.929 152 HA LEU 19 HA LEU 19 -18.456 5.170 3.776 153 HB2 LEU 19 HB1 LEU 19 -16.590 4.289 1.514 154 HB3 LEU 19 HB2 LEU 19 -17.619 3.143 2.432 155 HG LEU 19 HG LEU 19 -18.723 5.522 0.838 156 HD11 LEU 19 HD11 LEU 19 -19.382 3.824 -0.868 157 HD12 LEU 19 HD12 LEU 19 -18.528 2.540 0.071 158 HD13 LEU 19 HD13 LEU 19 -17.590 3.897 -0.664 159 HD21 LEU 19 HD21 LEU 19 -20.271 4.771 2.648 160 HD22 LEU 19 HD22 LEU 19 -20.103 3.062 2.097 161 HD23 LEU 19 HD23 LEU 19 -20.901 4.280 1.036 162 H VAL 20 HN VAL 20 -14.831 5.162 3.365 163 HA VAL 20 HA VAL 20 -14.552 3.286 5.480 164 HB VAL 20 HB VAL 20 -12.188 3.766 5.531 165 HG11 VAL 20 HG11 VAL 20 -13.211 2.207 3.838 166 HG12 VAL 20 HG12 VAL 20 -13.342 3.574 2.666 167 HG13 VAL 20 HG13 VAL 20 -11.725 3.015 3.220 168 HG21 VAL 20 HG21 VAL 20 -12.846 6.012 3.502 169 HG22 VAL 20 HG22 VAL 20 -12.135 6.237 5.149 170 HG23 VAL 20 HG23 VAL 20 -11.202 5.388 3.876 171 H THR 21 HN THR 21 -14.444 6.853 5.501 172 HA THR 21 HA THR 21 -13.753 7.094 8.217 173 HB THR 21 HB THR 21 -15.329 9.204 6.692 174 HG1 THR 21 HG1 THR 21 -13.554 8.788 5.465 175 HG21 THR 21 HG21 THR 21 -13.140 9.307 8.896 176 HG22 THR 21 HG22 THR 21 -14.891 9.476 9.254 177 HG23 THR 21 HG23 THR 21 -14.043 10.707 8.231 178 H LYS 22 HN LYS 22 -16.902 6.830 6.636 179 HA LYS 22 HA LYS 22 -18.972 6.717 7.217 180 HB2 LYS 22 HB1 LYS 22 -18.076 5.724 9.951 181 HB3 LYS 22 HB2 LYS 22 -19.622 5.353 9.148 182 HG2 LYS 22 HG1 LYS 22 -18.637 3.859 7.582 183 HG3 LYS 22 HG2 LYS 22 -16.990 4.461 7.820 184 HD2 LYS 22 HD1 LYS 22 -18.602 2.764 9.802 185 HD3 LYS 22 HD2 LYS 22 -17.194 2.277 8.819 186 HE2 LYS 22 HE1 LYS 22 -17.256 4.079 11.311 187 HE3 LYS 22 HE2 LYS 22 -16.316 2.568 11.018 188 HZ1 LYS 22 HZ1 LYS 22 -15.853 5.301 9.975 189 HZ2 LYS 22 HZ2 LYS 22 -15.188 3.998 9.177 190 HZ3 LYS 22 HZ3 LYS 22 -14.783 4.288 10.798 191 H LYS 23 HN LYS 23 -17.495 9.321 8.355 192 HA LYS 23 HA LYS 23 -19.986 10.101 9.779 193 HB2 LYS 23 HB1 LYS 23 -18.910 11.536 11.295 194 HB3 LYS 23 HB2 LYS 23 -18.119 9.956 11.345 195 HG2 LYS 23 HG1 LYS 23 -16.339 11.427 11.561 196 HG3 LYS 23 HG2 LYS 23 -16.251 10.832 9.887 197 HD2 LYS 23 HD1 LYS 23 -15.597 13.127 9.975 198 HD3 LYS 23 HD2 LYS 23 -17.098 13.050 9.039 199 HE2 LYS 23 HE1 LYS 23 -16.884 13.946 12.019 200 HE3 LYS 23 HE2 LYS 23 -16.853 15.048 10.590 201 HZ1 LYS 23 HZ1 LYS 23 -19.044 15.119 11.067 202 HZ2 LYS 23 HZ2 LYS 23 -19.096 13.559 11.734 203 HZ3 LYS 23 HZ3 LYS 23 -19.063 13.750 10.065 204 HN2 ABA 24 HN AGL 24 -19.020 10.303 6.813 205 HA ABA 24 HA AGL 24 -18.619 13.054 6.355 206 HB3 ABA 24 HB2 AGL 24 -17.787 11.432 4.769 207 HB2 ABA 24 HB1 AGL 24 -18.917 12.548 3.961 208 HG3 ABA 24 HG AGL 24 -20.670 10.415 4.682
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