NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21729 | 2i2j | 15068 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 -14.425 -1.346 -1.351 2 2H SER 1 2H SER 1 -14.325 -1.523 -1.356 3 3H SER 1 3H SER 1 -14.434 -1.465 -1.361 4 HA SER 1 HA SER 1 -14.238 -1.470 -1.266 5 1HB SER 1 HB2 SER 1 -14.285 -1.589 -1.318 6 2HB SER 1 HB1 SER 1 -14.242 -1.576 -1.251 7 HG SER 1 HG SER 1 -14.368 -1.530 -1.345 8 H GLY 2 HN GLY 2 -13.535 -1.585 -1.035 9 1HA GLY 2 HA2 GLY 2 -13.317 -1.721 -1.013 10 2HA GLY 2 HA1 GLY 2 -13.165 -1.791 -1.040 11 H SER 3 HN SER 3 -12.369 -1.578 -0.782 12 HA SER 3 HA SER 3 -11.895 -1.189 -0.492 13 1HB SER 3 HB2 SER 3 -12.067 -1.415 -0.278 14 2HB SER 3 HB1 SER 3 -11.961 -1.450 -0.287 15 HG SER 3 HG SER 3 -12.306 -1.381 -0.185 16 H LEU 4 HN LEU 4 -10.564 -1.115 -1.175 17 HA LEU 4 HA LEU 4 -9.165 -2.191 -0.556 18 1HB LEU 4 HB2 LEU 4 -9.750 -1.920 -2.242 19 2HB LEU 4 HB1 LEU 4 -8.954 -1.718 -2.005 20 HG LEU 4 HG LEU 4 -9.492 -2.750 -1.969 21 1HD1 LEU 4 HD11 LEU 4 -9.881 -3.266 -2.795 22 2HD1 LEU 4 HD12 LEU 4 -9.891 -3.123 -2.705 23 3HD1 LEU 4 HD13 LEU 4 -9.946 -3.142 -2.738 24 1HD2 LEU 4 HD21 LEU 4 -9.177 -3.099 -2.628 25 2HD2 LEU 4 HD22 LEU 4 -9.297 -3.096 -2.699 26 3HD2 LEU 4 HD23 LEU 4 -9.288 -3.198 -2.617 27 H SER 5 HN SER 5 -9.764 0.822 -0.665 28 HA SER 5 HA SER 5 -7.591 1.913 -1.030 29 1HB SER 5 HB2 SER 5 -9.189 2.816 0.031 30 2HB SER 5 HB1 SER 5 -9.150 2.786 0.346 31 HG SER 5 HG SER 5 -9.213 3.319 0.148 32 H THR 6 HN THR 6 -8.477 1.258 2.232 33 HA THR 6 HA THR 6 -6.093 1.816 3.498 34 HB THR 6 HB THR 6 -7.498 -0.286 4.497 35 HG1 THR 6 HG1 THR 6 -8.723 0.516 4.405 36 1HG2 THR 6 HG21 THR 6 -7.370 0.872 5.574 37 2HG2 THR 6 HG22 THR 6 -7.343 1.015 5.520 38 3HG2 THR 6 HG23 THR 6 -7.229 0.917 5.566 39 H PHE 7 HN PHE 7 -7.046 -1.445 2.397 40 HA PHE 7 HA PHE 7 -4.659 -2.804 2.924 41 1HB PHE 7 HB2 PHE 7 -6.944 -3.226 1.392 42 2HB PHE 7 HB1 PHE 7 -5.807 -3.711 0.581 43 HD1 PHE 7 HD1 PHE 7 -4.960 -5.285 2.072 44 HD2 PHE 7 HD2 PHE 7 -7.134 -4.125 2.309 45 HE1 PHE 7 HE1 PHE 7 -4.946 -7.098 3.181 46 HE2 PHE 7 HE2 PHE 7 -7.120 -5.938 3.418 47 HZ PHE 7 HZ PHE 7 -6.026 -7.424 3.854 48 H PHE 8 HN PHE 8 -5.566 -1.406 -0.251 49 HA PHE 8 HA PHE 8 -3.131 -1.757 -1.590 50 1HB PHE 8 HB2 PHE 8 -5.418 -0.584 -2.174 51 2HB PHE 8 HB1 PHE 8 -4.617 0.677 -2.013 52 HD1 PHE 8 HD1 PHE 8 -4.011 1.026 -3.615 53 HD2 PHE 8 HD2 PHE 8 -4.061 -1.807 -3.427 54 HE1 PHE 8 HE1 PHE 8 -3.259 0.810 -5.627 55 HE2 PHE 8 HE2 PHE 8 -3.310 -2.023 -5.438 56 HZ PHE 8 HZ PHE 8 -2.909 -0.714 -6.538 57 H ARG 9 HN ARG 9 -4.134 1.191 0.185 58 HA ARG 9 HA ARG 9 -1.743 2.646 -0.024 59 1HB ARG 9 HB2 ARG 9 -4.021 2.897 1.373 60 2HB ARG 9 HB1 ARG 9 -3.108 2.901 2.410 61 1HG ARG 9 HG2 ARG 9 -2.601 4.304 1.381 62 2HG ARG 9 HG1 ARG 9 -2.999 4.389 1.048 63 1HD ARG 9 HD2 ARG 9 -3.397 5.104 1.627 64 2HD ARG 9 HD1 ARG 9 -3.228 5.045 1.743 65 HE ARG 9 HE ARG 9 -3.183 5.704 1.630 66 1HH1 ARG 9 HH11 ARG 9 -4.236 6.733 1.069 67 2HH1 ARG 9 HH12 ARG 9 -4.083 7.347 1.372 68 1HH2 ARG 9 HH21 ARG 9 -2.678 6.161 2.285 69 2HH2 ARG 9 HH22 ARG 9 -3.201 7.023 2.060 70 H LEU 10 HN LEU 10 -2.683 0.400 2.603 71 HA LEU 10 HA LEU 10 -0.326 0.545 4.138 72 1HB LEU 10 HB2 LEU 10 -2.596 -0.861 4.232 73 2HB LEU 10 HB1 LEU 10 -1.632 -2.009 3.890 74 HG LEU 10 HG LEU 10 -0.851 -0.972 5.666 75 1HD1 LEU 10 HD11 LEU 10 -1.722 -0.832 6.433 76 2HD1 LEU 10 HD12 LEU 10 -1.698 -0.896 6.579 77 3HD1 LEU 10 HD13 LEU 10 -1.789 -0.976 6.489 78 1HD2 LEU 10 HD21 LEU 10 -1.241 -2.044 5.946 79 2HD2 LEU 10 HD22 LEU 10 -1.275 -2.024 5.911 80 3HD2 LEU 10 HD23 LEU 10 -1.213 -2.022 6.122 81 H PHE 11 HN PHE 11 -1.103 -1.771 1.522 82 HA PHE 11 HA PHE 11 1.351 -3.182 1.506 83 1HB PHE 11 HB2 PHE 11 -0.913 -3.192 0.050 84 2HB PHE 11 HB1 PHE 11 0.068 -2.770 -1.009 85 HD1 PHE 11 HD1 PHE 11 0.088 -4.868 0.950 86 HD2 PHE 11 HD2 PHE 11 0.717 -4.250 -1.647 87 HE1 PHE 11 HE1 PHE 11 0.682 -6.923 0.678 88 HE2 PHE 11 HE2 PHE 11 1.311 -6.305 -1.919 89 HZ PHE 11 HZ PHE 11 1.294 -7.641 -0.756 90 H ASN 12 HN ASN 12 0.389 -0.372 -0.499 91 HA ASN 12 HA ASN 12 2.846 -0.028 -1.871 92 1HB ASN 12 HB2 ASN 12 0.536 1.262 -1.832 93 2HB ASN 12 HB1 ASN 12 1.300 2.260 -1.230 94 1HD2 ASN 12 HD21 ASN 12 1.708 2.395 -3.028 95 2HD2 ASN 12 HD22 ASN 12 2.093 2.596 -4.075 96 H ARG 13 HN ARG 13 1.707 1.608 1.106 97 HA ARG 13 HA ARG 13 4.039 3.117 1.637 98 1HB ARG 13 HB2 ARG 13 1.715 2.643 2.898 99 2HB ARG 13 HB1 ARG 13 2.630 2.133 3.873 100 1HG ARG 13 HG2 ARG 13 3.113 3.902 3.587 101 2HG ARG 13 HG1 ARG 13 2.704 4.219 3.467 102 1HD ARG 13 HD2 ARG 13 2.490 4.434 4.240 103 2HD ARG 13 HD1 ARG 13 2.577 4.374 4.246 104 HE ARG 13 HE ARG 13 2.637 5.061 4.605 105 1HH1 ARG 13 HH11 ARG 13 1.666 5.683 5.547 106 2HH1 ARG 13 HH12 ARG 13 2.116 6.291 5.830 107 1HH2 ARG 13 HH21 ARG 13 3.640 5.627 4.643 108 2HH2 ARG 13 HH22 ARG 13 3.234 6.259 5.318 109 H SER 14 HN SER 14 3.161 -0.121 2.888 110 HA SER 14 HA SER 14 5.522 -0.615 4.367 111 1HB SER 14 HB2 SER 14 3.741 -2.258 3.902 112 2HB SER 14 HB1 SER 14 4.018 -2.557 3.444 113 HG SER 14 HG SER 14 4.195 -2.927 4.280 114 H PHE 15 HN PHE 15 4.772 -1.461 0.977 115 HA PHE 15 HA PHE 15 7.246 -2.709 0.352 116 1HB PHE 15 HB2 PHE 15 4.988 -2.247 -0.956 117 2HB PHE 15 HB1 PHE 15 5.837 -1.201 -1.664 118 HD1 PHE 15 HD1 PHE 15 6.021 -3.989 -1.046 119 HD2 PHE 15 HD2 PHE 15 6.860 -2.074 -2.984 120 HE1 PHE 15 HE1 PHE 15 6.845 -5.532 -2.340 121 HE2 PHE 15 HE2 PHE 15 7.684 -3.617 -4.277 122 HZ PHE 15 HZ PHE 15 7.677 -5.346 -3.955 123 H THR 16 HN THR 16 6.219 0.676 -0.188 124 HA THR 16 HA THR 16 8.664 1.629 -1.263 125 HB THR 16 HB THR 16 6.947 3.266 0.191 126 HG1 THR 16 HG1 THR 16 5.971 2.945 -0.968 127 1HG2 THR 16 HG21 THR 16 7.502 4.016 -1.222 128 2HG2 THR 16 HG22 THR 16 7.663 3.954 -1.209 129 3HG2 THR 16 HG23 THR 16 7.587 4.037 -1.064 130 H GLN 17 HN GLN 17 7.501 1.658 2.109 131 HA GLN 17 HA GLN 17 9.794 2.881 3.262 132 1HB GLN 17 HB2 GLN 17 7.528 2.035 4.225 133 2HB GLN 17 HB1 GLN 17 8.261 1.027 4.737 134 1HG GLN 17 HG2 GLN 17 9.010 2.526 5.374 135 2HG GLN 17 HG1 GLN 17 8.527 2.865 5.445 136 1HE2 GLN 17 HE21 GLN 17 8.543 2.759 6.667 137 2HE2 GLN 17 HE22 GLN 17 8.322 2.831 7.344 138 H ALA 18 HN ALA 18 8.974 -0.567 2.886 139 HA ALA 18 HA ALA 18 11.336 -1.611 4.076 140 1HB ALA 18 HB1 ALA 18 9.779 -3.043 2.840 141 2HB ALA 18 HB2 ALA 18 9.864 -3.113 2.825 142 3HB ALA 18 HB3 ALA 18 9.817 -3.066 2.737 143 H LEU 19 HN LEU 19 10.554 -1.110 0.649 144 HA LEU 19 HA LEU 19 13.001 -1.918 -0.465 145 1HB LEU 19 HB2 LEU 19 10.756 -0.877 -1.377 146 2HB LEU 19 HB1 LEU 19 11.663 0.263 -1.667 147 HG LEU 19 HG LEU 19 12.470 -1.477 -2.525 148 1HD1 LEU 19 HD11 LEU 19 11.682 -1.862 -3.205 149 2HD1 LEU 19 HD12 LEU 19 11.737 -1.931 -3.302 150 3HD1 LEU 19 HD13 LEU 19 11.744 -1.880 -3.348 151 1HD2 LEU 19 HD21 LEU 19 12.265 -0.941 -3.378 152 2HD2 LEU 19 HD22 LEU 19 12.263 -0.877 -3.352 153 3HD2 LEU 19 HD23 LEU 19 12.136 -0.860 -3.341 154 H GLY 20 HN GLY 20 12.121 1.187 0.904 155 1HA GLY 20 HA2 GLY 20 14.099 2.541 1.044 156 2HA GLY 20 HA1 GLY 20 14.138 2.478 1.137 157 H LYS 21 HN LYS 21 13.307 1.287 0.630 158 HA LYS 21 HA LYS 21 14.522 2.636 0.985 159 1HB LYS 21 HB2 LYS 21 14.001 2.068 0.950 160 2HB LYS 21 HB1 LYS 21 14.260 2.190 0.952 161 1HG LYS 21 HG2 LYS 21 14.528 2.391 0.954 162 2HG LYS 21 HG1 LYS 21 14.386 2.469 1.042 163 1HD LYS 21 HD2 LYS 21 14.519 2.449 1.109 164 2HD LYS 21 HD1 LYS 21 14.479 2.336 0.985 165 1HE LYS 21 HE2 LYS 21 14.756 2.400 1.167 166 2HE LYS 21 HE1 LYS 21 14.731 2.362 1.094 167 1HZ LYS 21 HZ1 LYS 21 14.727 2.480 1.092 168 2HZ LYS 21 HZ2 LYS 21 14.695 2.597 1.202 169 3HZ LYS 21 HZ3 LYS 21 14.764 2.440 1.223 170 1HN NH2 22 1HN NH2 22 14.436 2.478 0.789 171 2HN NH2 22 2HN NH2 22 14.541 2.537 0.687 Start of MODEL 2 1 1H SER 1 1H SER 1 -11.307 -6.676 -5.495 2 2H SER 1 2H SER 1 -11.367 -6.045 -3.919 3 3H SER 1 3H SER 1 -11.695 -5.043 -5.251 4 HA SER 1 HA SER 1 -13.576 -6.799 -5.706 5 1HB SER 1 HB2 SER 1 -12.799 -7.023 -2.787 6 2HB SER 1 HB1 SER 1 -14.362 -7.558 -3.399 7 HG SER 1 HG SER 1 -12.953 -8.740 -5.006 8 H GLY 2 HN GLY 2 -13.674 -5.296 -2.500 9 1HA GLY 2 HA2 GLY 2 -15.153 -2.981 -3.667 10 2HA GLY 2 HA1 GLY 2 -15.858 -3.888 -2.327 11 H SER 3 HN SER 3 -14.130 -1.160 -3.004 12 HA SER 3 HA SER 3 -12.870 0.320 -1.657 13 1HB SER 3 HB2 SER 3 -14.966 -0.294 -0.289 14 2HB SER 3 HB1 SER 3 -13.915 -1.380 0.616 15 HG SER 3 HG SER 3 -12.533 0.597 0.813 16 H LEU 4 HN LEU 4 -10.687 -0.099 -1.979 17 HA LEU 4 HA LEU 4 -9.433 -2.151 -0.191 18 1HB LEU 4 HB2 LEU 4 -9.122 -1.657 -3.157 19 2HB LEU 4 HB1 LEU 4 -7.889 -2.515 -2.232 20 HG LEU 4 HG LEU 4 -9.901 -3.950 -1.370 21 1HD1 LEU 4 HD11 LEU 4 -11.187 -2.184 -3.216 22 2HD1 LEU 4 HD12 LEU 4 -11.908 -3.488 -2.272 23 3HD1 LEU 4 HD13 LEU 4 -11.260 -3.816 -3.879 24 1HD2 LEU 4 HD21 LEU 4 -9.038 -4.232 -4.263 25 2HD2 LEU 4 HD22 LEU 4 -9.533 -5.523 -3.168 26 3HD2 LEU 4 HD23 LEU 4 -8.014 -4.670 -2.895 27 H SER 5 HN SER 5 -9.700 0.987 -0.482 28 HA SER 5 HA SER 5 -7.223 2.179 -1.054 29 1HB SER 5 HB2 SER 5 -9.495 3.173 -0.368 30 2HB SER 5 HB1 SER 5 -8.989 2.897 1.297 31 HG SER 5 HG SER 5 -6.958 4.044 0.370 32 H THR 6 HN THR 6 -8.283 1.447 2.291 33 HA THR 6 HA THR 6 -5.898 1.737 3.652 34 HB THR 6 HB THR 6 -6.976 -0.527 4.792 35 HG1 THR 6 HG1 THR 6 -9.219 0.801 3.816 36 1HG2 THR 6 HG21 THR 6 -8.554 1.919 5.253 37 2HG2 THR 6 HG22 THR 6 -6.808 2.147 5.366 38 3HG2 THR 6 HG23 THR 6 -7.610 0.956 6.390 39 H PHE 7 HN PHE 7 -6.967 -1.495 2.521 40 HA PHE 7 HA PHE 7 -4.592 -2.905 2.863 41 1HB PHE 7 HB2 PHE 7 -6.590 -3.046 0.580 42 2HB PHE 7 HB1 PHE 7 -5.477 -4.337 1.032 43 HD1 PHE 7 HD1 PHE 7 -5.670 -5.417 3.292 44 HD2 PHE 7 HD2 PHE 7 -8.603 -2.650 1.811 45 HE1 PHE 7 HE1 PHE 7 -7.281 -6.209 5.003 46 HE2 PHE 7 HE2 PHE 7 -10.214 -3.442 3.522 47 HZ PHE 7 HZ PHE 7 -9.553 -5.222 5.118 48 H PHE 8 HN PHE 8 -5.562 -1.339 -0.220 49 HA PHE 8 HA PHE 8 -3.176 -1.707 -1.653 50 1HB PHE 8 HB2 PHE 8 -5.366 0.346 -1.583 51 2HB PHE 8 HB1 PHE 8 -3.984 0.612 -2.646 52 HD1 PHE 8 HD1 PHE 8 -5.187 0.331 -4.734 53 HD2 PHE 8 HD2 PHE 8 -5.231 -2.743 -1.735 54 HE1 PHE 8 HE1 PHE 8 -6.142 -1.260 -6.379 55 HE2 PHE 8 HE2 PHE 8 -6.186 -4.335 -3.380 56 HZ PHE 8 HZ PHE 8 -6.641 -3.593 -5.702 57 H ARG 9 HN ARG 9 -4.048 1.129 0.368 58 HA ARG 9 HA ARG 9 -1.585 2.525 0.104 59 1HB ARG 9 HB2 ARG 9 -3.709 3.422 1.011 60 2HB ARG 9 HB1 ARG 9 -3.539 2.381 2.425 61 1HG ARG 9 HG2 ARG 9 -2.281 3.962 3.410 62 2HG ARG 9 HG1 ARG 9 -1.084 3.779 2.128 63 1HD ARG 9 HD2 ARG 9 -1.877 5.610 0.939 64 2HD ARG 9 HD1 ARG 9 -3.530 5.424 1.559 65 HE ARG 9 HE ARG 9 -1.378 6.879 2.882 66 1HH1 ARG 9 HH11 ARG 9 -4.518 7.099 2.914 67 2HH1 ARG 9 HH12 ARG 9 -4.800 6.860 4.606 68 1HH2 ARG 9 HH21 ARG 9 -1.607 5.664 5.240 69 2HH2 ARG 9 HH22 ARG 9 -3.152 6.048 5.923 70 H LEU 10 HN LEU 10 -2.648 0.287 2.699 71 HA LEU 10 HA LEU 10 -0.322 0.307 4.283 72 1HB LEU 10 HB2 LEU 10 -2.297 -0.802 5.028 73 2HB LEU 10 HB1 LEU 10 -2.368 -1.808 3.581 74 HG LEU 10 HG LEU 10 -0.221 -2.883 4.276 75 1HD1 LEU 10 HD11 LEU 10 0.702 -1.103 5.648 76 2HD1 LEU 10 HD12 LEU 10 0.476 -2.528 6.661 77 3HD1 LEU 10 HD13 LEU 10 -0.670 -1.191 6.752 78 1HD2 LEU 10 HD21 LEU 10 -2.822 -3.108 5.562 79 2HD2 LEU 10 HD22 LEU 10 -1.528 -3.609 6.650 80 3HD2 LEU 10 HD23 LEU 10 -1.706 -4.385 5.077 81 H PHE 11 HN PHE 11 -1.077 -1.867 1.532 82 HA PHE 11 HA PHE 11 1.399 -3.297 1.557 83 1HB PHE 11 HB2 PHE 11 -0.806 -2.717 -0.398 84 2HB PHE 11 HB1 PHE 11 0.642 -3.549 -0.966 85 HD1 PHE 11 HD1 PHE 11 -0.561 -3.863 2.500 86 HD2 PHE 11 HD2 PHE 11 -0.505 -5.664 -1.400 87 HE1 PHE 11 HE1 PHE 11 -1.398 -5.986 3.469 88 HE2 PHE 11 HE2 PHE 11 -1.342 -7.787 -0.431 89 HZ PHE 11 HZ PHE 11 -1.788 -7.949 2.003 90 H ASN 12 HN ASN 12 0.367 -0.458 -0.372 91 HA ASN 12 HA ASN 12 2.802 -0.108 -1.816 92 1HB ASN 12 HB2 ASN 12 0.435 1.545 -1.012 93 2HB ASN 12 HB1 ASN 12 1.821 2.369 -1.729 94 1HD2 ASN 12 HD21 ASN 12 -0.391 2.487 -3.296 95 2HD2 ASN 12 HD22 ASN 12 -0.310 1.386 -4.585 96 H ARG 13 HN ARG 13 1.688 1.409 1.234 97 HA ARG 13 HA ARG 13 4.007 3.002 1.703 98 1HB ARG 13 HB2 ARG 13 1.544 2.378 2.914 99 2HB ARG 13 HB1 ARG 13 2.768 1.959 4.114 100 1HG ARG 13 HG2 ARG 13 2.398 4.234 4.547 101 2HG ARG 13 HG1 ARG 13 3.812 4.272 3.493 102 1HD ARG 13 HD2 ARG 13 1.561 4.247 1.770 103 2HD ARG 13 HD1 ARG 13 1.217 5.445 3.034 104 HE ARG 13 HE ARG 13 3.928 5.778 2.279 105 1HH1 ARG 13 HH11 ARG 13 0.958 7.183 1.899 106 2HH1 ARG 13 HH12 ARG 13 1.288 7.940 0.377 107 1HH2 ARG 13 HH21 ARG 13 4.287 6.268 -0.106 108 2HH2 ARG 13 HH22 ARG 13 3.172 7.422 -0.759 109 H SER 14 HN SER 14 3.160 -0.226 3.022 110 HA SER 14 HA SER 14 5.560 -0.683 4.464 111 1HB SER 14 HB2 SER 14 3.431 -1.989 4.561 112 2HB SER 14 HB1 SER 14 3.798 -2.655 2.972 113 HG SER 14 HG SER 14 5.548 -2.832 5.197 114 H PHE 15 HN PHE 15 4.736 -1.515 1.083 115 HA PHE 15 HA PHE 15 7.220 -2.799 0.448 116 1HB PHE 15 HB2 PHE 15 4.864 -1.634 -0.944 117 2HB PHE 15 HB1 PHE 15 6.319 -1.834 -1.921 118 HD1 PHE 15 HD1 PHE 15 5.005 -3.881 0.924 119 HD2 PHE 15 HD2 PHE 15 5.968 -3.733 -3.259 120 HE1 PHE 15 HE1 PHE 15 4.544 -6.310 0.732 121 HE2 PHE 15 HE2 PHE 15 5.507 -6.162 -3.451 122 HZ PHE 15 HZ PHE 15 4.795 -7.451 -1.456 123 H THR 16 HN THR 16 6.093 0.513 -0.364 124 HA THR 16 HA THR 16 8.523 1.469 -1.463 125 HB THR 16 HB THR 16 6.533 3.044 0.194 126 HG1 THR 16 HG1 THR 16 6.343 1.904 -2.379 127 1HG2 THR 16 HG21 THR 16 7.772 4.760 -0.571 128 2HG2 THR 16 HG22 THR 16 7.204 4.358 -2.191 129 3HG2 THR 16 HG23 THR 16 8.722 3.686 -1.598 130 H GLN 17 HN GLN 17 7.315 1.846 1.897 131 HA GLN 17 HA GLN 17 9.585 3.155 2.974 132 1HB GLN 17 HB2 GLN 17 7.543 3.028 4.205 133 2HB GLN 17 HB1 GLN 17 7.500 1.269 4.089 134 1HG GLN 17 HG2 GLN 17 8.876 1.003 5.870 135 2HG GLN 17 HG1 GLN 17 9.953 2.295 5.338 136 1HE2 GLN 17 HE21 GLN 17 9.220 4.574 5.828 137 2HE2 GLN 17 HE22 GLN 17 8.222 4.843 7.174 138 H ALA 18 HN ALA 18 8.843 -0.352 2.891 139 HA ALA 18 HA ALA 18 11.224 -1.261 4.156 140 1HB ALA 18 HB1 ALA 18 10.607 -3.319 2.592 141 2HB ALA 18 HB2 ALA 18 9.169 -2.352 2.264 142 3HB ALA 18 HB3 ALA 18 9.539 -2.850 3.915 143 H LEU 19 HN LEU 19 10.503 -1.119 0.641 144 HA LEU 19 HA LEU 19 12.962 -1.894 -0.407 145 1HB LEU 19 HB2 LEU 19 10.651 -0.284 -1.183 146 2HB LEU 19 HB1 LEU 19 12.126 0.252 -1.988 147 HG LEU 19 HG LEU 19 12.184 -2.573 -2.046 148 1HD1 LEU 19 HD11 LEU 19 9.576 -1.942 -1.651 149 2HD1 LEU 19 HD12 LEU 19 10.098 -3.323 -2.617 150 3HD1 LEU 19 HD13 LEU 19 9.660 -1.809 -3.408 151 1HD2 LEU 19 HD21 LEU 19 12.576 -2.193 -4.279 152 2HD2 LEU 19 HD22 LEU 19 12.758 -0.531 -3.717 153 3HD2 LEU 19 HD23 LEU 19 11.233 -1.059 -4.427 154 H GLY 20 HN GLY 20 12.058 1.354 0.772 155 1HA GLY 20 HA2 GLY 20 13.901 2.555 2.018 156 2HA GLY 20 HA1 GLY 20 14.967 2.065 0.698 157 H LYS 21 HN LYS 21 12.041 2.714 -0.724 158 HA LYS 21 HA LYS 21 11.212 4.568 -1.935 159 1HB LYS 21 HB2 LYS 21 12.095 5.447 0.615 160 2HB LYS 21 HB1 LYS 21 12.652 6.648 -0.550 161 1HG LYS 21 HG2 LYS 21 10.566 7.472 -0.690 162 2HG LYS 21 HG1 LYS 21 9.997 5.910 -1.281 163 1HD LYS 21 HD2 LYS 21 8.725 6.053 0.637 164 2HD LYS 21 HD1 LYS 21 10.165 5.293 1.315 165 1HE LYS 21 HE2 LYS 21 9.472 7.230 2.696 166 2HE LYS 21 HE1 LYS 21 11.037 7.556 1.925 167 1HZ LYS 21 HZ1 LYS 21 10.105 8.947 0.387 168 2HZ LYS 21 HZ2 LYS 21 9.077 9.257 1.704 169 3HZ LYS 21 HZ3 LYS 21 8.579 8.209 0.462 170 1HN NH2 22 1HN NH2 22 14.471 5.795 -0.990 171 2HN NH2 22 2HN NH2 22 15.064 5.908 -2.576 Start of MODEL 3 1 1H SER 1 1H SER 1 -13.168 2.215 -11.070 2 2H SER 1 2H SER 1 -12.693 1.066 -12.228 3 3H SER 1 3H SER 1 -12.324 2.708 -12.456 4 HA SER 1 HA SER 1 -10.341 1.556 -11.732 5 1HB SER 1 HB2 SER 1 -11.298 3.894 -10.895 6 2HB SER 1 HB1 SER 1 -11.340 3.064 -9.341 7 HG SER 1 HG SER 1 -9.201 2.922 -9.344 8 H GLY 2 HN GLY 2 -9.455 -0.078 -10.465 9 1HA GLY 2 HA2 GLY 2 -11.089 -2.021 -9.236 10 2HA GLY 2 HA1 GLY 2 -9.363 -1.842 -8.917 11 H SER 3 HN SER 3 -8.696 -0.671 -7.074 12 HA SER 3 HA SER 3 -10.422 0.924 -5.431 13 1HB SER 3 HB2 SER 3 -11.152 -1.694 -5.404 14 2HB SER 3 HB1 SER 3 -9.988 -1.686 -4.082 15 HG SER 3 HG SER 3 -11.537 -0.834 -2.958 16 H LEU 4 HN LEU 4 -9.411 0.434 -2.908 17 HA LEU 4 HA LEU 4 -6.489 0.079 -3.037 18 1HB LEU 4 HB2 LEU 4 -7.430 2.504 -3.746 19 2HB LEU 4 HB1 LEU 4 -7.385 2.726 -1.997 20 HG LEU 4 HG LEU 4 -4.977 1.407 -2.951 21 1HD1 LEU 4 HD11 LEU 4 -4.615 2.579 -4.846 22 2HD1 LEU 4 HD12 LEU 4 -4.463 4.014 -3.832 23 3HD1 LEU 4 HD13 LEU 4 -6.020 3.604 -4.553 24 1HD2 LEU 4 HD21 LEU 4 -5.814 3.688 -1.231 25 2HD2 LEU 4 HD22 LEU 4 -4.174 3.750 -1.874 26 3HD2 LEU 4 HD23 LEU 4 -4.683 2.379 -0.888 27 H SER 5 HN SER 5 -8.703 1.919 -0.909 28 HA SER 5 HA SER 5 -9.140 1.687 1.402 29 1HB SER 5 HB2 SER 5 -8.580 -1.225 0.784 30 2HB SER 5 HB1 SER 5 -9.640 -0.588 2.038 31 HG SER 5 HG SER 5 -10.504 -1.315 -0.165 32 H THR 6 HN THR 6 -8.101 0.984 3.502 33 HA THR 6 HA THR 6 -5.409 1.707 3.741 34 HB THR 6 HB THR 6 -5.580 0.456 5.922 35 HG1 THR 6 HG1 THR 6 -6.800 -1.258 5.622 36 1HG2 THR 6 HG21 THR 6 -7.952 1.622 6.440 37 2HG2 THR 6 HG22 THR 6 -7.587 2.395 4.899 38 3HG2 THR 6 HG23 THR 6 -6.462 2.545 6.249 39 H PHE 7 HN PHE 7 -6.789 -1.495 3.066 40 HA PHE 7 HA PHE 7 -4.510 -3.123 3.401 41 1HB PHE 7 HB2 PHE 7 -7.079 -3.431 2.586 42 2HB PHE 7 HB1 PHE 7 -6.254 -3.584 1.035 43 HD1 PHE 7 HD1 PHE 7 -5.963 -5.819 0.449 44 HD2 PHE 7 HD2 PHE 7 -5.419 -4.636 4.543 45 HE1 PHE 7 HE1 PHE 7 -5.296 -8.136 1.031 46 HE2 PHE 7 HE2 PHE 7 -4.753 -6.952 5.123 47 HZ PHE 7 HZ PHE 7 -4.691 -8.703 3.367 48 H PHE 8 HN PHE 8 -5.631 -1.719 0.287 49 HA PHE 8 HA PHE 8 -3.226 -2.309 -1.149 50 1HB PHE 8 HB2 PHE 8 -5.604 -1.651 -1.931 51 2HB PHE 8 HB1 PHE 8 -5.087 0.015 -1.669 52 HD1 PHE 8 HD1 PHE 8 -5.078 -2.743 -3.943 53 HD2 PHE 8 HD2 PHE 8 -2.864 0.754 -2.793 54 HE1 PHE 8 HE1 PHE 8 -3.920 -2.756 -6.136 55 HE2 PHE 8 HE2 PHE 8 -1.706 0.741 -4.986 56 HZ PHE 8 HZ PHE 8 -2.233 -1.013 -6.657 57 H ARG 9 HN ARG 9 -4.324 0.682 0.485 58 HA ARG 9 HA ARG 9 -2.090 2.322 -0.148 59 1HB ARG 9 HB2 ARG 9 -4.392 2.270 1.610 60 2HB ARG 9 HB1 ARG 9 -3.001 2.955 2.452 61 1HG ARG 9 HG2 ARG 9 -3.178 3.943 -0.279 62 2HG ARG 9 HG1 ARG 9 -4.651 4.288 0.627 63 1HD ARG 9 HD2 ARG 9 -1.936 4.834 1.839 64 2HD ARG 9 HD1 ARG 9 -2.737 6.028 0.797 65 HE ARG 9 HE ARG 9 -4.223 4.853 3.104 66 1HH1 ARG 9 HH21 ARG 9 -5.241 7.064 1.242 67 2HH1 ARG 9 HH22 ARG 9 -5.006 8.462 2.238 68 1HH2 ARG 9 HH11 ARG 9 -2.892 6.848 4.464 69 2HH2 ARG 9 HH12 ARG 9 -3.676 8.340 4.063 70 H LEU 10 HN LEU 10 -2.643 0.186 2.674 71 HA LEU 10 HA LEU 10 -0.153 0.718 3.986 72 1HB LEU 10 HB2 LEU 10 -2.118 -0.344 5.024 73 2HB LEU 10 HB1 LEU 10 -1.948 -1.732 3.949 74 HG LEU 10 HG LEU 10 0.578 -1.506 5.051 75 1HD1 LEU 10 HD11 LEU 10 -0.929 -1.528 7.536 76 2HD1 LEU 10 HD12 LEU 10 -1.108 0.014 6.700 77 3HD1 LEU 10 HD13 LEU 10 0.500 -0.585 7.108 78 1HD2 LEU 10 HD21 LEU 10 -1.635 -3.150 6.290 79 2HD2 LEU 10 HD22 LEU 10 0.063 -3.580 6.093 80 3HD2 LEU 10 HD23 LEU 10 -0.999 -3.512 4.686 81 H PHE 11 HN PHE 11 -1.114 -1.882 1.718 82 HA PHE 11 HA PHE 11 1.335 -3.306 1.656 83 1HB PHE 11 HB2 PHE 11 -1.149 -3.088 0.189 84 2HB PHE 11 HB1 PHE 11 0.193 -3.312 -0.933 85 HD1 PHE 11 HD1 PHE 11 -0.596 -4.573 2.517 86 HD2 PHE 11 HD2 PHE 11 0.478 -5.542 -1.527 87 HE1 PHE 11 HE1 PHE 11 -0.488 -6.976 3.121 88 HE2 PHE 11 HE2 PHE 11 0.587 -7.945 -0.923 89 HZ PHE 11 HZ PHE 11 0.104 -8.661 1.402 90 H ASN 12 HN ASN 12 0.231 -0.644 -0.480 91 HA ASN 12 HA ASN 12 2.635 -0.456 -2.023 92 1HB ASN 12 HB2 ASN 12 0.106 0.869 -1.684 93 2HB ASN 12 HB1 ASN 12 1.378 2.089 -1.764 94 1HD2 ASN 12 HD21 ASN 12 -0.362 1.996 -3.923 95 2HD2 ASN 12 HD22 ASN 12 0.407 1.316 -5.274 96 H ARG 13 HN ARG 13 1.518 1.638 0.674 97 HA ARG 13 HA ARG 13 3.879 3.167 0.966 98 1HB ARG 13 HB2 ARG 13 1.392 2.740 2.263 99 2HB ARG 13 HB1 ARG 13 2.636 2.594 3.506 100 1HG ARG 13 HG2 ARG 13 2.562 4.861 3.566 101 2HG ARG 13 HG1 ARG 13 3.514 4.776 2.083 102 1HD ARG 13 HD2 ARG 13 0.487 4.692 2.029 103 2HD ARG 13 HD1 ARG 13 1.391 6.219 1.963 104 HE ARG 13 HE ARG 13 2.653 4.639 0.074 105 1HH1 ARG 13 HH11 ARG 13 -0.444 3.777 0.269 106 2HH1 ARG 13 HH12 ARG 13 -0.998 4.526 -1.192 107 1HH2 ARG 13 HH21 ARG 13 1.884 6.403 -1.636 108 2HH2 ARG 13 HH22 ARG 13 0.321 6.013 -2.270 109 H SER 14 HN SER 14 2.954 0.121 2.607 110 HA SER 14 HA SER 14 5.270 -0.164 4.230 111 1HB SER 14 HB2 SER 14 4.548 -2.513 4.316 112 2HB SER 14 HB1 SER 14 3.144 -1.451 4.377 113 HG SER 14 HG SER 14 4.137 -3.004 2.238 114 H PHE 15 HN PHE 15 4.611 -1.435 0.945 115 HA PHE 15 HA PHE 15 7.100 -2.765 0.560 116 1HB PHE 15 HB2 PHE 15 4.733 -2.241 -0.831 117 2HB PHE 15 HB1 PHE 15 5.987 -1.497 -1.824 118 HD1 PHE 15 HD1 PHE 15 5.304 -4.652 0.086 119 HD2 PHE 15 HD2 PHE 15 7.193 -2.830 -3.314 120 HE1 PHE 15 HE1 PHE 15 5.986 -6.891 -0.736 121 HE2 PHE 15 HE2 PHE 15 7.875 -5.068 -4.135 122 HZ PHE 15 HZ PHE 15 7.273 -7.099 -2.846 123 H THR 16 HN THR 16 6.111 0.569 -0.306 124 HA THR 16 HA THR 16 8.581 1.381 -1.479 125 HB THR 16 HB THR 16 6.306 2.786 -0.067 126 HG1 THR 16 HG1 THR 16 5.575 2.352 -1.990 127 1HG2 THR 16 HG21 THR 16 8.935 3.840 -0.874 128 2HG2 THR 16 HG22 THR 16 7.733 4.527 0.219 129 3HG2 THR 16 HG23 THR 16 7.565 4.741 -1.523 130 H GLN 17 HN GLN 17 7.365 2.097 1.824 131 HA GLN 17 HA GLN 17 9.777 3.212 2.832 132 1HB GLN 17 HB2 GLN 17 8.702 2.892 4.978 133 2HB GLN 17 HB1 GLN 17 7.437 3.253 3.802 134 1HG GLN 17 HG2 GLN 17 6.959 0.852 3.558 135 2HG GLN 17 HG1 GLN 17 8.239 0.473 4.712 136 1HE2 GLN 17 HE21 GLN 17 6.562 -0.503 6.142 137 2HE2 GLN 17 HE22 GLN 17 5.556 0.500 7.071 138 H ALA 18 HN ALA 18 8.646 -0.161 2.720 139 HA ALA 18 HA ALA 18 10.702 -1.321 4.332 140 1HB ALA 18 HB1 ALA 18 8.856 -2.237 2.135 141 2HB ALA 18 HB2 ALA 18 8.813 -2.639 3.852 142 3HB ALA 18 HB3 ALA 18 10.046 -3.350 2.811 143 H LEU 19 HN LEU 19 10.457 -1.234 0.749 144 HA LEU 19 HA LEU 19 13.025 -2.252 0.165 145 1HB LEU 19 HB2 LEU 19 11.115 -0.347 -1.186 146 2HB LEU 19 HB1 LEU 19 12.642 -0.784 -1.952 147 HG LEU 19 HG LEU 19 10.655 -2.832 -0.943 148 1HD1 LEU 19 HD11 LEU 19 9.746 -1.341 -2.782 149 2HD1 LEU 19 HD12 LEU 19 9.844 -3.052 -3.198 150 3HD1 LEU 19 HD13 LEU 19 11.059 -1.925 -3.805 151 1HD2 LEU 19 HD21 LEU 19 13.232 -2.866 -2.483 152 2HD2 LEU 19 HD22 LEU 19 12.031 -4.119 -2.797 153 3HD2 LEU 19 HD23 LEU 19 12.701 -3.924 -1.177 154 H GLY 20 HN GLY 20 12.038 0.995 1.135 155 1HA GLY 20 HA2 GLY 20 14.619 2.202 0.491 156 2HA GLY 20 HA1 GLY 20 13.311 2.974 1.390 157 H LYS 21 HN LYS 21 13.745 0.016 2.826 158 HA LYS 21 HA LYS 21 16.132 0.234 4.338 159 1HB LYS 21 HB2 LYS 21 14.183 2.255 4.873 160 2HB LYS 21 HB1 LYS 21 14.264 1.203 6.286 161 1HG LYS 21 HG2 LYS 21 16.754 1.441 6.264 162 2HG LYS 21 HG1 LYS 21 16.595 2.601 4.944 163 1HD LYS 21 HD2 LYS 21 14.809 3.617 6.744 164 2HD LYS 21 HD1 LYS 21 16.026 2.937 7.824 165 1HE LYS 21 HE2 LYS 21 16.789 5.157 7.386 166 2HE LYS 21 HE1 LYS 21 17.757 4.143 6.297 167 1HZ LYS 21 HZ1 LYS 21 16.757 5.968 5.074 168 2HZ LYS 21 HZ2 LYS 21 15.208 5.510 5.604 169 3HZ LYS 21 HZ3 LYS 21 16.091 4.493 4.567 170 1HN NH2 22 1HN NH2 22 16.267 -1.668 5.615 171 2HN NH2 22 2HN NH2 22 14.941 -2.652 6.009 Start of MODEL 4 1 1H SER 1 1H SER 1 -7.030 -10.331 -7.446 2 2H SER 1 2H SER 1 -5.784 -10.333 -6.291 3 3H SER 1 3H SER 1 -6.480 -8.867 -6.791 4 HA SER 1 HA SER 1 -8.271 -10.869 -5.621 5 1HB SER 1 HB2 SER 1 -7.474 -9.803 -3.369 6 2HB SER 1 HB1 SER 1 -6.503 -11.087 -4.083 7 HG SER 1 HG SER 1 -5.132 -9.414 -3.596 8 H GLY 2 HN GLY 2 -7.007 -7.523 -5.286 9 1HA GLY 2 HA2 GLY 2 -9.007 -6.013 -6.345 10 2HA GLY 2 HA1 GLY 2 -9.727 -6.514 -4.814 11 H SER 3 HN SER 3 -8.006 -6.259 -2.907 12 HA SER 3 HA SER 3 -6.717 -4.761 -1.606 13 1HB SER 3 HB2 SER 3 -5.672 -4.825 -4.226 14 2HB SER 3 HB1 SER 3 -5.744 -3.119 -3.790 15 HG SER 3 HG SER 3 -4.025 -4.985 -2.974 16 H LEU 4 HN LEU 4 -8.165 -3.428 -0.534 17 HA LEU 4 HA LEU 4 -9.693 -1.376 -2.019 18 1HB LEU 4 HB2 LEU 4 -9.897 -2.920 0.401 19 2HB LEU 4 HB1 LEU 4 -10.020 -1.206 0.805 20 HG LEU 4 HG LEU 4 -11.717 -0.990 -1.065 21 1HD1 LEU 4 HD11 LEU 4 -10.944 -3.170 -2.149 22 2HD1 LEU 4 HD12 LEU 4 -12.690 -2.963 -2.007 23 3HD1 LEU 4 HD13 LEU 4 -11.829 -4.008 -0.876 24 1HD2 LEU 4 HD21 LEU 4 -12.023 -2.377 1.521 25 2HD2 LEU 4 HD22 LEU 4 -13.346 -2.662 0.390 26 3HD2 LEU 4 HD23 LEU 4 -12.929 -1.015 0.863 27 H SER 5 HN SER 5 -9.790 0.840 -0.719 28 HA SER 5 HA SER 5 -7.464 2.307 -1.047 29 1HB SER 5 HB2 SER 5 -8.637 3.488 1.142 30 2HB SER 5 HB1 SER 5 -9.197 3.690 -0.516 31 HG SER 5 HG SER 5 -10.801 2.319 -0.154 32 H THR 6 HN THR 6 -8.494 1.631 2.294 33 HA THR 6 HA THR 6 -6.096 1.987 3.614 34 HB THR 6 HB THR 6 -7.167 -0.189 4.906 35 HG1 THR 6 HG1 THR 6 -8.673 -0.334 3.115 36 1HG2 THR 6 HG21 THR 6 -6.860 2.268 5.610 37 2HG2 THR 6 HG22 THR 6 -8.224 1.396 6.311 38 3HG2 THR 6 HG23 THR 6 -8.488 2.522 4.979 39 H PHE 7 HN PHE 7 -7.194 -1.170 2.302 40 HA PHE 7 HA PHE 7 -4.871 -2.671 2.859 41 1HB PHE 7 HB2 PHE 7 -7.060 -2.719 0.803 42 2HB PHE 7 HB1 PHE 7 -5.723 -3.860 0.650 43 HD1 PHE 7 HD1 PHE 7 -7.537 -2.458 3.620 44 HD2 PHE 7 HD2 PHE 7 -6.402 -5.961 1.409 45 HE1 PHE 7 HE1 PHE 7 -8.558 -3.892 5.367 46 HE2 PHE 7 HE2 PHE 7 -7.423 -7.394 3.156 47 HZ PHE 7 HZ PHE 7 -8.501 -6.361 5.135 48 H PHE 8 HN PHE 8 -5.665 -1.326 -0.372 49 HA PHE 8 HA PHE 8 -3.221 -1.679 -1.643 50 1HB PHE 8 HB2 PHE 8 -5.152 -0.818 -2.788 51 2HB PHE 8 HB1 PHE 8 -5.227 0.589 -1.726 52 HD1 PHE 8 HD1 PHE 8 -4.744 2.501 -2.981 53 HD2 PHE 8 HD2 PHE 8 -2.376 -1.038 -3.539 54 HE1 PHE 8 HE1 PHE 8 -3.248 3.744 -4.520 55 HE2 PHE 8 HE2 PHE 8 -0.879 0.205 -5.077 56 HZ PHE 8 HZ PHE 8 -1.316 2.596 -5.568 57 H ARG 9 HN ARG 9 -4.154 1.305 0.124 58 HA ARG 9 HA ARG 9 -1.712 2.676 -0.003 59 1HB ARG 9 HB2 ARG 9 -4.185 2.862 1.300 60 2HB ARG 9 HB1 ARG 9 -3.000 2.861 2.608 61 1HG ARG 9 HG2 ARG 9 -2.051 4.526 0.457 62 2HG ARG 9 HG1 ARG 9 -3.681 5.022 0.909 63 1HD ARG 9 HD2 ARG 9 -3.053 5.438 3.164 64 2HD ARG 9 HD1 ARG 9 -1.538 4.529 2.991 65 HE ARG 9 HE ARG 9 -1.710 6.713 1.085 66 1HH1 ARG 9 HH21 ARG 9 0.575 5.564 2.931 67 2HH1 ARG 9 HH22 ARG 9 0.968 7.002 3.815 68 1HH2 ARG 9 HH11 ARG 9 -1.886 8.705 2.830 69 2HH2 ARG 9 HH12 ARG 9 -0.425 8.780 3.757 70 H LEU 10 HN LEU 10 -2.769 0.518 2.667 71 HA LEU 10 HA LEU 10 -0.429 0.514 4.205 72 1HB LEU 10 HB2 LEU 10 -2.820 -1.060 3.834 73 2HB LEU 10 HB1 LEU 10 -1.452 -2.131 4.142 74 HG LEU 10 HG LEU 10 -2.469 -1.471 6.266 75 1HD1 LEU 10 HD11 LEU 10 -0.486 -0.861 7.373 76 2HD1 LEU 10 HD12 LEU 10 0.051 0.167 6.044 77 3HD1 LEU 10 HD13 LEU 10 0.107 -1.588 5.879 78 1HD2 LEU 10 HD21 LEU 10 -3.536 0.562 6.027 79 2HD2 LEU 10 HD22 LEU 10 -2.263 1.229 5.005 80 3HD2 LEU 10 HD23 LEU 10 -2.032 1.130 6.751 81 H PHE 11 HN PHE 11 -1.230 -1.811 1.588 82 HA PHE 11 HA PHE 11 1.188 -3.255 1.554 83 1HB PHE 11 HB2 PHE 11 -1.159 -3.203 0.161 84 2HB PHE 11 HB1 PHE 11 -0.042 -2.587 -1.058 85 HD1 PHE 11 HD1 PHE 11 0.328 -5.119 1.687 86 HD2 PHE 11 HD2 PHE 11 0.549 -4.305 -2.525 87 HE1 PHE 11 HE1 PHE 11 1.164 -7.420 1.286 88 HE2 PHE 11 HE2 PHE 11 1.384 -6.605 -2.926 89 HZ PHE 11 HZ PHE 11 1.691 -8.162 -1.020 90 H ASN 12 HN ASN 12 0.351 -0.418 -0.483 91 HA ASN 12 HA ASN 12 2.879 -0.101 -1.728 92 1HB ASN 12 HB2 ASN 12 0.829 1.027 -2.432 93 2HB ASN 12 HB1 ASN 12 0.756 1.906 -0.904 94 1HD2 ASN 12 HD21 ASN 12 3.778 1.314 -2.691 95 2HD2 ASN 12 HD22 ASN 12 4.063 2.942 -3.081 96 H ARG 13 HN ARG 13 1.647 1.253 1.338 97 HA ARG 13 HA ARG 13 3.866 2.918 1.969 98 1HB ARG 13 HB2 ARG 13 1.434 2.202 3.059 99 2HB ARG 13 HB1 ARG 13 2.577 1.506 4.209 100 1HG ARG 13 HG2 ARG 13 3.409 4.169 3.406 101 2HG ARG 13 HG1 ARG 13 1.774 4.192 4.068 102 1HD ARG 13 HD2 ARG 13 4.106 2.815 5.443 103 2HD ARG 13 HD1 ARG 13 3.566 4.462 5.826 104 HE ARG 13 HE ARG 13 2.193 2.036 6.599 105 1HH1 ARG 13 HH11 ARG 13 2.148 5.390 6.654 106 2HH1 ARG 13 HH12 ARG 13 0.438 5.541 6.888 107 1HH2 ARG 13 HH21 ARG 13 -0.191 2.165 6.411 108 2HH2 ARG 13 HH22 ARG 13 -0.886 3.714 6.751 109 H SER 14 HN SER 14 3.203 -0.442 3.045 110 HA SER 14 HA SER 14 5.661 -0.850 4.425 111 1HB SER 14 HB2 SER 14 3.318 -2.250 3.768 112 2HB SER 14 HB1 SER 14 4.623 -3.215 3.082 113 HG SER 14 HG SER 14 4.657 -2.182 5.723 114 H PHE 15 HN PHE 15 4.761 -1.630 1.047 115 HA PHE 15 HA PHE 15 7.237 -2.785 0.252 116 1HB PHE 15 HB2 PHE 15 4.821 -2.437 -0.851 117 2HB PHE 15 HB1 PHE 15 5.650 -1.088 -1.629 118 HD1 PHE 15 HD1 PHE 15 6.390 -1.620 -3.768 119 HD2 PHE 15 HD2 PHE 15 6.619 -4.591 -0.674 120 HE1 PHE 15 HE1 PHE 15 7.463 -3.193 -5.357 121 HE2 PHE 15 HE2 PHE 15 7.692 -6.164 -2.264 122 HZ PHE 15 HZ PHE 15 8.113 -5.464 -4.606 123 H THR 16 HN THR 16 6.096 0.597 -0.122 124 HA THR 16 HA THR 16 8.477 1.652 -1.267 125 HB THR 16 HB THR 16 6.277 2.809 0.465 126 HG1 THR 16 HG1 THR 16 5.316 2.680 -1.379 127 1HG2 THR 16 HG21 THR 16 8.198 4.261 0.726 128 2HG2 THR 16 HG22 THR 16 7.075 5.029 -0.396 129 3HG2 THR 16 HG23 THR 16 8.518 4.219 -1.008 130 H GLN 17 HN GLN 17 7.419 1.735 2.164 131 HA GLN 17 HA GLN 17 9.713 2.925 3.285 132 1HB GLN 17 HB2 GLN 17 7.502 2.359 4.363 133 2HB GLN 17 HB1 GLN 17 8.037 0.681 4.452 134 1HG GLN 17 HG2 GLN 17 9.686 2.933 5.603 135 2HG GLN 17 HG1 GLN 17 8.428 2.130 6.542 136 1HE2 GLN 17 HE21 GLN 17 11.714 1.930 5.618 137 2HE2 GLN 17 HE22 GLN 17 11.997 0.329 6.107 138 H ALA 18 HN ALA 18 9.065 -0.563 2.771 139 HA ALA 18 HA ALA 18 11.569 -1.506 3.793 140 1HB ALA 18 HB1 ALA 18 9.735 -3.009 3.537 141 2HB ALA 18 HB2 ALA 18 10.905 -3.511 2.317 142 3HB ALA 18 HB3 ALA 18 9.501 -2.552 1.849 143 H LEU 19 HN LEU 19 10.558 -1.394 0.352 144 HA LEU 19 HA LEU 19 13.118 -1.777 -0.779 145 1HB LEU 19 HB2 LEU 19 10.512 -0.548 -1.600 146 2HB LEU 19 HB1 LEU 19 11.903 -0.341 -2.667 147 HG LEU 19 HG LEU 19 10.480 -2.392 -3.139 148 1HD1 LEU 19 HD11 LEU 19 12.483 -3.895 -3.348 149 2HD1 LEU 19 HD12 LEU 19 13.401 -2.728 -2.396 150 3HD1 LEU 19 HD13 LEU 19 12.757 -2.268 -3.972 151 1HD2 LEU 19 HD21 LEU 19 10.831 -4.320 -1.617 152 2HD2 LEU 19 HD22 LEU 19 10.014 -2.990 -0.794 153 3HD2 LEU 19 HD23 LEU 19 11.732 -3.276 -0.518 154 H GLY 20 HN GLY 20 11.827 0.996 0.837 155 1HA GLY 20 HA2 GLY 20 13.875 2.787 -0.365 156 2HA GLY 20 HA1 GLY 20 12.527 3.310 0.649 157 H LYS 21 HN LYS 21 13.741 0.598 2.123 158 HA LYS 21 HA LYS 21 14.990 0.338 4.114 159 1HB LYS 21 HB2 LYS 21 16.634 0.881 2.151 160 2HB LYS 21 HB1 LYS 21 16.804 2.444 2.951 161 1HG LYS 21 HG2 LYS 21 17.822 1.535 4.822 162 2HG LYS 21 HG1 LYS 21 17.040 -0.032 4.614 163 1HD LYS 21 HD2 LYS 21 18.731 -0.817 3.336 164 2HD LYS 21 HD1 LYS 21 18.775 0.652 2.362 165 1HE LYS 21 HE2 LYS 21 20.904 0.320 3.620 166 2HE LYS 21 HE1 LYS 21 20.068 1.794 4.147 167 1HZ LYS 21 HZ1 LYS 21 19.290 -0.692 5.451 168 2HZ LYS 21 HZ2 LYS 21 19.453 0.869 6.101 169 3HZ LYS 21 HZ3 LYS 21 20.828 -0.096 5.845 170 1HN NH2 22 1HN NH2 22 13.008 2.764 3.831 171 2HN NH2 22 2HN NH2 22 13.453 3.783 5.114 Start of MODEL 5 1 1H SER 1 1H SER 1 -16.168 5.318 -3.689 2 2H SER 1 2H SER 1 -16.288 4.455 -5.147 3 3H SER 1 3H SER 1 -15.447 5.931 -5.096 4 HA SER 1 HA SER 1 -14.178 3.626 -5.018 5 1HB SER 1 HB2 SER 1 -12.673 5.213 -3.351 6 2HB SER 1 HB1 SER 1 -12.774 5.418 -5.098 7 HG SER 1 HG SER 1 -13.293 7.283 -3.628 8 H GLY 2 HN GLY 2 -12.582 3.453 -2.699 9 1HA GLY 2 HA2 GLY 2 -12.732 2.943 -0.328 10 2HA GLY 2 HA1 GLY 2 -14.477 2.759 -0.512 11 H SER 3 HN SER 3 -12.091 1.343 -2.694 12 HA SER 3 HA SER 3 -13.077 -1.361 -1.863 13 1HB SER 3 HB2 SER 3 -11.816 -0.302 -4.412 14 2HB SER 3 HB1 SER 3 -12.302 -1.977 -4.164 15 HG SER 3 HG SER 3 -13.815 0.270 -4.659 16 H LEU 4 HN LEU 4 -11.598 -2.019 -0.280 17 HA LEU 4 HA LEU 4 -9.531 -2.731 0.617 18 1HB LEU 4 HB2 LEU 4 -9.236 -2.897 -2.379 19 2HB LEU 4 HB1 LEU 4 -7.890 -3.339 -1.327 20 HG LEU 4 HG LEU 4 -10.114 -4.599 -0.186 21 1HD1 LEU 4 HD11 LEU 4 -11.497 -5.367 -1.820 22 2HD1 LEU 4 HD12 LEU 4 -10.173 -5.596 -2.961 23 3HD1 LEU 4 HD13 LEU 4 -10.888 -3.998 -2.750 24 1HD2 LEU 4 HD21 LEU 4 -8.559 -6.248 -2.054 25 2HD2 LEU 4 HD22 LEU 4 -8.688 -6.361 -0.299 26 3HD2 LEU 4 HD23 LEU 4 -7.552 -5.226 -1.028 27 H SER 5 HN SER 5 -10.034 0.238 -0.282 28 HA SER 5 HA SER 5 -7.724 1.544 -1.127 29 1HB SER 5 HB2 SER 5 -9.466 2.993 -0.735 30 2HB SER 5 HB1 SER 5 -10.013 2.105 0.685 31 HG SER 5 HG SER 5 -8.646 4.318 0.653 32 H THR 6 HN THR 6 -8.525 0.939 2.321 33 HA THR 6 HA THR 6 -6.141 1.755 3.513 34 HB THR 6 HB THR 6 -8.017 -0.553 4.085 35 HG1 THR 6 HG1 THR 6 -8.482 1.874 4.196 36 1HG2 THR 6 HG21 THR 6 -6.462 -1.299 5.541 37 2HG2 THR 6 HG22 THR 6 -6.803 0.156 6.478 38 3HG2 THR 6 HG23 THR 6 -5.465 0.139 5.329 39 H PHE 7 HN PHE 7 -6.841 -1.625 2.519 40 HA PHE 7 HA PHE 7 -4.302 -2.734 2.956 41 1HB PHE 7 HB2 PHE 7 -6.726 -3.491 1.885 42 2HB PHE 7 HB1 PHE 7 -5.660 -3.590 0.483 43 HD1 PHE 7 HD1 PHE 7 -3.168 -4.540 1.268 44 HD2 PHE 7 HD2 PHE 7 -6.971 -5.508 3.015 45 HE1 PHE 7 HE1 PHE 7 -2.231 -6.669 2.128 46 HE2 PHE 7 HE2 PHE 7 -6.035 -7.637 3.874 47 HZ PHE 7 HZ PHE 7 -3.665 -8.218 3.431 48 H PHE 8 HN PHE 8 -5.510 -1.214 -0.059 49 HA PHE 8 HA PHE 8 -3.194 -1.492 -1.644 50 1HB PHE 8 HB2 PHE 8 -5.248 -0.710 -2.583 51 2HB PHE 8 HB1 PHE 8 -5.351 0.619 -1.428 52 HD1 PHE 8 HD1 PHE 8 -4.602 2.737 -2.066 53 HD2 PHE 8 HD2 PHE 8 -3.075 -0.732 -4.087 54 HE1 PHE 8 HE1 PHE 8 -3.353 4.199 -3.632 55 HE2 PHE 8 HE2 PHE 8 -1.826 0.731 -5.653 56 HZ PHE 8 HZ PHE 8 -1.965 3.196 -5.425 57 H ARG 9 HN ARG 9 -4.104 1.433 0.232 58 HA ARG 9 HA ARG 9 -1.712 2.877 -0.065 59 1HB ARG 9 HB2 ARG 9 -4.094 3.144 1.252 60 2HB ARG 9 HB1 ARG 9 -2.986 2.931 2.608 61 1HG ARG 9 HG2 ARG 9 -2.151 4.802 0.439 62 2HG ARG 9 HG1 ARG 9 -3.433 5.339 1.525 63 1HD ARG 9 HD2 ARG 9 -1.951 4.772 3.474 64 2HD ARG 9 HD1 ARG 9 -0.648 4.421 2.321 65 HE ARG 9 HE ARG 9 -2.019 7.081 2.324 66 1HH1 ARG 9 HH21 ARG 9 0.463 5.541 0.839 67 2HH1 ARG 9 HH22 ARG 9 1.718 6.628 1.334 68 1HH2 ARG 9 HH11 ARG 9 -0.269 8.295 3.636 69 2HH2 ARG 9 HH12 ARG 9 1.303 8.188 2.917 70 H LEU 10 HN LEU 10 -2.546 0.580 2.561 71 HA LEU 10 HA LEU 10 -0.114 0.702 3.999 72 1HB LEU 10 HB2 LEU 10 -2.417 -0.498 4.388 73 2HB LEU 10 HB1 LEU 10 -1.643 -1.855 3.568 74 HG LEU 10 HG LEU 10 0.030 -0.596 5.638 75 1HD1 LEU 10 HD11 LEU 10 -1.872 -2.366 6.938 76 2HD1 LEU 10 HD12 LEU 10 -2.681 -0.947 6.273 77 3HD1 LEU 10 HD13 LEU 10 -1.350 -0.750 7.415 78 1HD2 LEU 10 HD21 LEU 10 0.787 -2.768 5.897 79 2HD2 LEU 10 HD22 LEU 10 0.157 -2.878 4.254 80 3HD2 LEU 10 HD23 LEU 10 -0.806 -3.468 5.609 81 H PHE 11 HN PHE 11 -1.025 -1.441 1.282 82 HA PHE 11 HA PHE 11 1.395 -2.941 1.160 83 1HB PHE 11 HB2 PHE 11 -0.901 -3.234 0.003 84 2HB PHE 11 HB1 PHE 11 -0.286 -2.110 -1.210 85 HD1 PHE 11 HD1 PHE 11 1.397 -4.840 0.731 86 HD2 PHE 11 HD2 PHE 11 0.259 -3.336 -3.129 87 HE1 PHE 11 HE1 PHE 11 2.640 -6.689 -0.358 88 HE2 PHE 11 HE2 PHE 11 1.502 -5.185 -4.216 89 HZ PHE 11 HZ PHE 11 2.693 -6.862 -2.830 90 H ASN 12 HN ASN 12 0.428 -0.007 -0.663 91 HA ASN 12 HA ASN 12 2.847 0.334 -2.119 92 1HB ASN 12 HB2 ASN 12 0.388 1.568 -1.851 93 2HB ASN 12 HB1 ASN 12 1.494 2.785 -1.213 94 1HD2 ASN 12 HD21 ASN 12 2.411 4.113 -2.779 95 2HD2 ASN 12 HD22 ASN 12 2.600 3.706 -4.416 96 H ARG 13 HN ARG 13 1.834 2.068 0.859 97 HA ARG 13 HA ARG 13 4.319 3.340 1.375 98 1HB ARG 13 HB2 ARG 13 1.836 3.382 2.419 99 2HB ARG 13 HB1 ARG 13 2.629 2.384 3.639 100 1HG ARG 13 HG2 ARG 13 4.314 4.094 4.019 101 2HG ARG 13 HG1 ARG 13 3.672 5.070 2.697 102 1HD ARG 13 HD2 ARG 13 2.832 5.958 4.822 103 2HD ARG 13 HD1 ARG 13 1.483 5.200 3.953 104 HE ARG 13 HE ARG 13 2.828 3.251 5.591 105 1HH1 ARG 13 HH11 ARG 13 -0.043 4.865 5.161 106 2HH1 ARG 13 HH12 ARG 13 -0.535 4.830 6.821 107 1HH2 ARG 13 HH21 ARG 13 2.519 3.664 7.977 108 2HH2 ARG 13 HH22 ARG 13 0.916 4.150 8.416 109 H SER 14 HN SER 14 3.055 0.221 2.603 110 HA SER 14 HA SER 14 5.237 -0.494 4.259 111 1HB SER 14 HB2 SER 14 4.354 -2.780 3.915 112 2HB SER 14 HB1 SER 14 3.040 -1.626 4.128 113 HG SER 14 HG SER 14 3.339 -3.268 2.152 114 H PHE 15 HN PHE 15 4.692 -1.303 0.807 115 HA PHE 15 HA PHE 15 7.137 -2.705 0.383 116 1HB PHE 15 HB2 PHE 15 4.882 -1.705 -1.077 117 2HB PHE 15 HB1 PHE 15 6.346 -1.263 -1.956 118 HD1 PHE 15 HD1 PHE 15 7.688 -2.910 -3.053 119 HD2 PHE 15 HD2 PHE 15 4.478 -4.108 -0.463 120 HE1 PHE 15 HE1 PHE 15 7.919 -5.247 -3.850 121 HE2 PHE 15 HE2 PHE 15 4.709 -6.446 -1.259 122 HZ PHE 15 HZ PHE 15 6.429 -7.015 -2.952 123 H THR 16 HN THR 16 6.337 0.729 -0.288 124 HA THR 16 HA THR 16 8.885 1.557 -1.203 125 HB THR 16 HB THR 16 6.855 3.083 0.461 126 HG1 THR 16 HG1 THR 16 6.914 2.181 -2.172 127 1HG2 THR 16 HG21 THR 16 9.327 3.909 -0.392 128 2HG2 THR 16 HG22 THR 16 7.956 4.983 -0.108 129 3HG2 THR 16 HG23 THR 16 8.300 4.405 -1.739 130 H GLN 17 HN GLN 17 7.568 1.613 2.129 131 HA GLN 17 HA GLN 17 9.931 2.656 3.376 132 1HB GLN 17 HB2 GLN 17 7.792 2.723 4.473 133 2HB GLN 17 HB1 GLN 17 7.590 0.977 4.316 134 1HG GLN 17 HG2 GLN 17 10.056 1.379 5.649 135 2HG GLN 17 HG1 GLN 17 8.889 2.453 6.422 136 1HE2 GLN 17 HE21 GLN 17 10.064 -0.124 7.470 137 2HE2 GLN 17 HE22 GLN 17 8.729 -1.117 7.806 138 H ALA 18 HN ALA 18 8.743 -0.706 3.015 139 HA ALA 18 HA ALA 18 10.829 -2.049 4.362 140 1HB ALA 18 HB1 ALA 18 9.718 -3.181 1.832 141 2HB ALA 18 HB2 ALA 18 8.564 -2.738 3.090 142 3HB ALA 18 HB3 ALA 18 9.833 -3.916 3.430 143 H LEU 19 HN LEU 19 10.618 -1.180 0.891 144 HA LEU 19 HA LEU 19 13.102 -2.248 0.049 145 1HB LEU 19 HB2 LEU 19 11.037 -1.025 -1.124 146 2HB LEU 19 HB1 LEU 19 12.111 0.370 -1.013 147 HG LEU 19 HG LEU 19 12.426 -0.817 -3.154 148 1HD1 LEU 19 HD11 LEU 19 14.771 -1.225 -1.272 149 2HD1 LEU 19 HD12 LEU 19 14.346 0.315 -2.021 150 3HD1 LEU 19 HD13 LEU 19 14.851 -1.043 -3.025 151 1HD2 LEU 19 HD21 LEU 19 11.914 -3.087 -1.781 152 2HD2 LEU 19 HD22 LEU 19 13.676 -3.146 -1.784 153 3HD2 LEU 19 HD23 LEU 19 12.794 -3.080 -3.310 154 H GLY 20 HN GLY 20 12.370 1.059 1.224 155 1HA GLY 20 HA2 GLY 20 14.091 1.962 2.867 156 2HA GLY 20 HA1 GLY 20 15.305 1.403 1.713 157 H LYS 21 HN LYS 21 12.751 2.454 -0.127 158 HA LYS 21 HA LYS 21 14.006 4.603 -1.365 159 1HB LYS 21 HB2 LYS 21 11.180 3.761 -0.851 160 2HB LYS 21 HB1 LYS 21 11.446 5.341 -1.588 161 1HG LYS 21 HG2 LYS 21 12.622 4.388 -3.439 162 2HG LYS 21 HG1 LYS 21 12.744 2.820 -2.640 163 1HD LYS 21 HD2 LYS 21 10.806 2.210 -3.604 164 2HD LYS 21 HD1 LYS 21 9.986 3.490 -2.712 165 1HE LYS 21 HE2 LYS 21 11.434 4.636 -4.940 166 2HE LYS 21 HE1 LYS 21 10.342 3.357 -5.509 167 1HZ LYS 21 HZ1 LYS 21 8.514 4.398 -4.666 168 2HZ LYS 21 HZ2 LYS 21 9.451 5.768 -5.026 169 3HZ LYS 21 HZ3 LYS 21 9.376 5.182 -3.432 170 1HN NH2 22 1HN NH2 22 12.349 4.629 1.777 171 2HN NH2 22 2HN NH2 22 12.631 6.267 2.121 Start of MODEL 6 1 1H SER 1 1H SER 1 -13.554 1.041 -2.871 2 2H SER 1 2H SER 1 -13.098 2.317 -3.897 3 3H SER 1 3H SER 1 -11.912 1.399 -3.098 4 HA SER 1 HA SER 1 -13.633 0.594 -5.372 5 1HB SER 1 HB2 SER 1 -11.314 1.806 -5.411 6 2HB SER 1 HB1 SER 1 -10.672 0.238 -4.933 7 HG SER 1 HG SER 1 -10.686 0.272 -7.141 8 H GLY 2 HN GLY 2 -14.694 -0.909 -3.640 9 1HA GLY 2 HA2 GLY 2 -14.989 -3.230 -3.212 10 2HA GLY 2 HA1 GLY 2 -13.358 -3.522 -3.821 11 H SER 3 HN SER 3 -14.135 -1.126 -1.353 12 HA SER 3 HA SER 3 -13.246 -0.905 0.833 13 1HB SER 3 HB2 SER 3 -13.740 -3.878 0.965 14 2HB SER 3 HB1 SER 3 -14.013 -2.666 2.214 15 HG SER 3 HG SER 3 -15.970 -3.242 1.250 16 H LEU 4 HN LEU 4 -11.225 -1.337 -1.170 17 HA LEU 4 HA LEU 4 -9.273 -3.048 0.339 18 1HB LEU 4 HB2 LEU 4 -10.080 -2.830 -2.476 19 2HB LEU 4 HB1 LEU 4 -8.331 -2.763 -2.253 20 HG LEU 4 HG LEU 4 -9.914 -4.848 -0.787 21 1HD1 LEU 4 HD11 LEU 4 -10.179 -6.220 -2.615 22 2HD1 LEU 4 HD12 LEU 4 -8.783 -5.544 -3.455 23 3HD1 LEU 4 HD13 LEU 4 -10.314 -4.667 -3.439 24 1HD2 LEU 4 HD21 LEU 4 -7.331 -5.460 -2.069 25 2HD2 LEU 4 HD22 LEU 4 -7.857 -5.745 -0.410 26 3HD2 LEU 4 HD23 LEU 4 -7.252 -4.157 -0.882 27 H SER 5 HN SER 5 -10.073 0.113 -0.551 28 HA SER 5 HA SER 5 -7.781 1.462 -1.296 29 1HB SER 5 HB2 SER 5 -9.867 2.089 0.808 30 2HB SER 5 HB1 SER 5 -8.684 3.275 0.261 31 HG SER 5 HG SER 5 -9.474 2.850 -1.891 32 H THR 6 HN THR 6 -8.616 1.053 2.169 33 HA THR 6 HA THR 6 -6.234 1.817 3.351 34 HB THR 6 HB THR 6 -7.394 -0.691 4.404 35 HG1 THR 6 HG1 THR 6 -9.414 -0.083 4.362 36 1HG2 THR 6 HG21 THR 6 -5.992 1.080 5.618 37 2HG2 THR 6 HG22 THR 6 -7.466 0.552 6.429 38 3HG2 THR 6 HG23 THR 6 -7.434 2.093 5.572 39 H PHE 7 HN PHE 7 -6.969 -1.547 2.331 40 HA PHE 7 HA PHE 7 -4.485 -2.730 2.881 41 1HB PHE 7 HB2 PHE 7 -6.723 -3.131 0.943 42 2HB PHE 7 HB1 PHE 7 -5.244 -4.052 0.670 43 HD1 PHE 7 HD1 PHE 7 -4.376 -5.587 2.432 44 HD2 PHE 7 HD2 PHE 7 -8.165 -3.600 2.810 45 HE1 PHE 7 HE1 PHE 7 -5.024 -7.165 4.232 46 HE2 PHE 7 HE2 PHE 7 -8.813 -5.178 4.610 47 HZ PHE 7 HZ PHE 7 -7.242 -6.961 5.321 48 H PHE 8 HN PHE 8 -5.500 -1.232 -0.219 49 HA PHE 8 HA PHE 8 -3.062 -1.517 -1.619 50 1HB PHE 8 HB2 PHE 8 -5.472 0.218 -1.678 51 2HB PHE 8 HB1 PHE 8 -4.070 0.824 -2.560 52 HD1 PHE 8 HD1 PHE 8 -3.536 -0.031 -4.688 53 HD2 PHE 8 HD2 PHE 8 -6.200 -2.221 -2.126 54 HE1 PHE 8 HE1 PHE 8 -4.012 -1.614 -6.536 55 HE2 PHE 8 HE2 PHE 8 -6.675 -3.804 -3.975 56 HZ PHE 8 HZ PHE 8 -5.582 -3.501 -6.179 57 H ARG 9 HN ARG 9 -4.183 1.382 0.179 58 HA ARG 9 HA ARG 9 -1.884 2.964 -0.021 59 1HB ARG 9 HB2 ARG 9 -3.981 2.531 2.103 60 2HB ARG 9 HB1 ARG 9 -2.699 3.719 2.343 61 1HG ARG 9 HG2 ARG 9 -4.404 3.672 -0.154 62 2HG ARG 9 HG1 ARG 9 -4.861 4.591 1.281 63 1HD ARG 9 HD2 ARG 9 -3.393 6.239 0.763 64 2HD ARG 9 HD1 ARG 9 -2.072 5.069 0.575 65 HE ARG 9 HE ARG 9 -4.007 5.007 -1.620 66 1HH1 ARG 9 HH21 ARG 9 -1.083 4.358 -1.872 67 2HH1 ARG 9 HH22 ARG 9 -0.482 5.739 -2.727 68 1HH2 ARG 9 HH11 ARG 9 -3.269 7.693 -2.061 69 2HH2 ARG 9 HH12 ARG 9 -1.721 7.628 -2.833 70 H LEU 10 HN LEU 10 -2.609 0.620 2.601 71 HA LEU 10 HA LEU 10 -0.147 0.850 3.993 72 1HB LEU 10 HB2 LEU 10 -2.209 -0.280 4.782 73 2HB LEU 10 HB1 LEU 10 -1.959 -1.554 3.588 74 HG LEU 10 HG LEU 10 0.469 -1.556 4.801 75 1HD1 LEU 10 HD11 LEU 10 0.396 -0.379 6.722 76 2HD1 LEU 10 HD12 LEU 10 -0.742 -1.581 7.331 77 3HD1 LEU 10 HD13 LEU 10 -1.339 -0.112 6.558 78 1HD2 LEU 10 HD21 LEU 10 -0.164 -3.643 5.570 79 2HD2 LEU 10 HD22 LEU 10 -1.498 -3.336 4.458 80 3HD2 LEU 10 HD23 LEU 10 -1.710 -3.061 6.187 81 H PHE 11 HN PHE 11 -1.085 -1.475 1.431 82 HA PHE 11 HA PHE 11 1.310 -2.946 1.259 83 1HB PHE 11 HB2 PHE 11 -1.021 -2.281 -0.413 84 2HB PHE 11 HB1 PHE 11 0.413 -2.719 -1.344 85 HD1 PHE 11 HD1 PHE 11 -1.475 -3.841 1.704 86 HD2 PHE 11 HD2 PHE 11 0.813 -4.978 -1.750 87 HE1 PHE 11 HE1 PHE 11 -1.857 -6.232 2.239 88 HE2 PHE 11 HE2 PHE 11 0.430 -7.369 -1.215 89 HZ PHE 11 HZ PHE 11 -0.905 -7.996 0.779 90 H ASN 12 HN ASN 12 0.428 0.023 -0.553 91 HA ASN 12 HA ASN 12 2.903 0.313 -1.947 92 1HB ASN 12 HB2 ASN 12 0.423 1.652 -1.600 93 2HB ASN 12 HB1 ASN 12 1.687 2.840 -1.279 94 1HD2 ASN 12 HD21 ASN 12 1.419 3.978 -3.307 95 2HD2 ASN 12 HD22 ASN 12 1.827 3.273 -4.795 96 H ARG 13 HN ARG 13 1.777 1.951 1.043 97 HA ARG 13 HA ARG 13 4.140 3.378 1.639 98 1HB ARG 13 HB2 ARG 13 1.868 3.518 2.724 99 2HB ARG 13 HB1 ARG 13 2.242 2.021 3.580 100 1HG ARG 13 HG2 ARG 13 4.481 3.504 4.104 101 2HG ARG 13 HG1 ARG 13 3.242 4.759 4.053 102 1HD ARG 13 HD2 ARG 13 2.112 3.910 5.896 103 2HD ARG 13 HD1 ARG 13 2.655 2.247 5.590 104 HE ARG 13 HE ARG 13 4.948 3.009 6.313 105 1HH1 ARG 13 HH11 ARG 13 2.185 3.767 7.997 106 2HH1 ARG 13 HH12 ARG 13 2.889 5.014 8.972 107 1HH2 ARG 13 HH21 ARG 13 5.863 5.092 7.191 108 2HH2 ARG 13 HH22 ARG 13 4.972 5.763 8.516 109 H SER 14 HN SER 14 3.167 0.225 3.059 110 HA SER 14 HA SER 14 5.564 -0.372 4.405 111 1HB SER 14 HB2 SER 14 3.675 -1.740 4.778 112 2HB SER 14 HB1 SER 14 3.408 -1.993 3.056 113 HG SER 14 HG SER 14 5.287 -3.158 4.788 114 H PHE 15 HN PHE 15 4.664 -1.192 1.036 115 HA PHE 15 HA PHE 15 6.991 -2.612 0.296 116 1HB PHE 15 HB2 PHE 15 4.807 -1.084 -0.980 117 2HB PHE 15 HB1 PHE 15 6.262 -1.235 -1.965 118 HD1 PHE 15 HD1 PHE 15 4.944 -3.630 0.572 119 HD2 PHE 15 HD2 PHE 15 5.650 -2.847 -3.592 120 HE1 PHE 15 HE1 PHE 15 4.337 -5.972 0.029 121 HE2 PHE 15 HE2 PHE 15 5.043 -5.189 -4.135 122 HZ PHE 15 HZ PHE 15 4.387 -6.752 -2.324 123 H THR 16 HN THR 16 6.344 0.893 -0.143 124 HA THR 16 HA THR 16 8.911 1.601 -1.140 125 HB THR 16 HB THR 16 8.155 3.869 -0.046 126 HG1 THR 16 HG1 THR 16 6.706 3.153 1.422 127 1HG2 THR 16 HG21 THR 16 6.118 3.791 -1.771 128 2HG2 THR 16 HG22 THR 16 6.909 2.291 -2.251 129 3HG2 THR 16 HG23 THR 16 7.793 3.815 -2.322 130 H GLN 17 HN GLN 17 7.692 1.404 2.206 131 HA GLN 17 HA GLN 17 10.043 2.465 3.478 132 1HB GLN 17 HB2 GLN 17 7.563 0.996 4.171 133 2HB GLN 17 HB1 GLN 17 8.888 0.818 5.321 134 1HG GLN 17 HG2 GLN 17 8.995 3.499 4.836 135 2HG GLN 17 HG1 GLN 17 7.264 3.202 4.673 136 1HE2 GLN 17 HE21 GLN 17 8.154 4.724 6.865 137 2HE2 GLN 17 HE22 GLN 17 7.978 3.820 8.292 138 H ALA 18 HN ALA 18 8.945 -0.924 3.032 139 HA ALA 18 HA ALA 18 11.229 -2.196 4.142 140 1HB ALA 18 HB1 ALA 18 9.887 -3.427 1.794 141 2HB ALA 18 HB2 ALA 18 8.827 -2.936 3.115 142 3HB ALA 18 HB3 ALA 18 10.136 -4.080 3.413 143 H LEU 19 HN LEU 19 10.512 -1.510 0.692 144 HA LEU 19 HA LEU 19 12.850 -2.452 -0.503 145 1HB LEU 19 HB2 LEU 19 10.672 -0.704 -1.084 146 2HB LEU 19 HB1 LEU 19 12.149 0.096 -1.625 147 HG LEU 19 HG LEU 19 12.686 -2.340 -2.569 148 1HD1 LEU 19 HD11 LEU 19 9.682 -2.234 -2.860 149 2HD1 LEU 19 HD12 LEU 19 10.452 -3.123 -1.545 150 3HD1 LEU 19 HD13 LEU 19 10.769 -3.575 -3.221 151 1HD2 LEU 19 HD21 LEU 19 10.836 -0.292 -3.827 152 2HD2 LEU 19 HD22 LEU 19 11.609 -1.600 -4.722 153 3HD2 LEU 19 HD23 LEU 19 12.594 -0.351 -3.958 154 H GLY 20 HN GLY 20 12.375 0.613 1.240 155 1HA GLY 20 HA2 GLY 20 15.111 1.510 0.669 156 2HA GLY 20 HA1 GLY 20 13.944 2.336 1.703 157 H LYS 21 HN LYS 21 13.902 -0.835 2.680 158 HA LYS 21 HA LYS 21 16.336 -0.892 4.294 159 1HB LYS 21 HB2 LYS 21 14.387 0.801 5.170 160 2HB LYS 21 HB1 LYS 21 13.914 -0.687 5.989 161 1HG LYS 21 HG2 LYS 21 16.587 0.726 6.146 162 2HG LYS 21 HG1 LYS 21 15.436 0.459 7.456 163 1HD LYS 21 HD2 LYS 21 15.767 -2.081 6.823 164 2HD LYS 21 HD1 LYS 21 17.281 -1.498 6.130 165 1HE LYS 21 HE2 LYS 21 17.017 -0.266 8.686 166 2HE LYS 21 HE1 LYS 21 16.686 -1.997 8.895 167 1HZ LYS 21 HZ1 LYS 21 19.064 -1.582 8.961 168 2HZ LYS 21 HZ2 LYS 21 19.002 -0.825 7.442 169 3HZ LYS 21 HZ3 LYS 21 18.669 -2.486 7.582 170 1HN NH2 22 1HN NH2 22 16.329 -3.111 3.341 171 2HN NH2 22 2HN NH2 22 15.287 -4.304 3.949 Start of MODEL 7 1 1H SER 1 1H SER 1 -15.570 -8.914 1.048 2 2H SER 1 2H SER 1 -16.046 -8.182 -0.411 3 3H SER 1 3H SER 1 -16.495 -7.493 1.076 4 HA SER 1 HA SER 1 -14.088 -7.129 1.567 5 1HB SER 1 HB2 SER 1 -12.517 -7.714 -0.069 6 2HB SER 1 HB1 SER 1 -13.694 -9.014 -0.231 7 HG SER 1 HG SER 1 -13.145 -6.853 -1.901 8 H GLY 2 HN GLY 2 -14.681 -4.974 1.819 9 1HA GLY 2 HA2 GLY 2 -15.054 -3.402 -0.696 10 2HA GLY 2 HA1 GLY 2 -16.069 -3.107 0.715 11 H SER 3 HN SER 3 -12.716 -3.937 1.161 12 HA SER 3 HA SER 3 -12.129 -1.069 1.830 13 1HB SER 3 HB2 SER 3 -10.952 -1.908 3.792 14 2HB SER 3 HB1 SER 3 -12.575 -2.591 3.781 15 HG SER 3 HG SER 3 -11.775 -4.516 3.244 16 H LEU 4 HN LEU 4 -11.424 -1.806 -0.670 17 HA LEU 4 HA LEU 4 -8.827 -3.119 -0.831 18 1HB LEU 4 HB2 LEU 4 -10.542 -3.115 -2.623 19 2HB LEU 4 HB1 LEU 4 -10.364 -1.366 -2.778 20 HG LEU 4 HG LEU 4 -7.759 -2.543 -2.903 21 1HD1 LEU 4 HD11 LEU 4 -9.658 -3.657 -4.982 22 2HD1 LEU 4 HD12 LEU 4 -9.121 -4.583 -3.581 23 3HD1 LEU 4 HD13 LEU 4 -7.947 -4.032 -4.776 24 1HD2 LEU 4 HD21 LEU 4 -9.587 -0.907 -4.608 25 2HD2 LEU 4 HD22 LEU 4 -8.191 -1.647 -5.392 26 3HD2 LEU 4 HD23 LEU 4 -7.959 -0.542 -4.037 27 H SER 5 HN SER 5 -9.973 0.212 -0.569 28 HA SER 5 HA SER 5 -7.622 1.602 -1.358 29 1HB SER 5 HB2 SER 5 -9.598 2.846 -1.040 30 2HB SER 5 HB1 SER 5 -9.923 2.102 0.522 31 HG SER 5 HG SER 5 -9.024 4.333 0.471 32 H THR 6 HN THR 6 -8.659 1.099 2.037 33 HA THR 6 HA THR 6 -6.354 1.791 3.387 34 HB THR 6 HB THR 6 -7.095 0.006 5.030 35 HG1 THR 6 HG1 THR 6 -8.541 -1.424 4.417 36 1HG2 THR 6 HG21 THR 6 -9.680 1.096 4.440 37 2HG2 THR 6 HG22 THR 6 -8.458 2.318 4.091 38 3HG2 THR 6 HG23 THR 6 -8.543 1.588 5.694 39 H PHE 7 HN PHE 7 -7.026 -1.572 2.319 40 HA PHE 7 HA PHE 7 -4.536 -2.717 2.918 41 1HB PHE 7 HB2 PHE 7 -6.867 -3.231 1.257 42 2HB PHE 7 HB1 PHE 7 -5.400 -3.842 0.491 43 HD1 PHE 7 HD1 PHE 7 -5.693 -6.194 0.822 44 HD2 PHE 7 HD2 PHE 7 -5.974 -3.486 4.145 45 HE1 PHE 7 HE1 PHE 7 -5.672 -8.116 2.390 46 HE2 PHE 7 HE2 PHE 7 -5.953 -5.408 5.713 47 HZ PHE 7 HZ PHE 7 -5.801 -7.723 4.835 48 H PHE 8 HN PHE 8 -5.517 -1.169 -0.165 49 HA PHE 8 HA PHE 8 -3.093 -1.471 -1.582 50 1HB PHE 8 HB2 PHE 8 -5.334 -0.622 -2.380 51 2HB PHE 8 HB1 PHE 8 -4.966 0.917 -1.599 52 HD1 PHE 8 HD1 PHE 8 -4.671 2.403 -3.419 53 HD2 PHE 8 HD2 PHE 8 -2.639 -1.381 -3.396 54 HE1 PHE 8 HE1 PHE 8 -3.356 3.098 -5.403 55 HE2 PHE 8 HE2 PHE 8 -1.322 -0.686 -5.380 56 HZ PHE 8 HZ PHE 8 -1.681 1.553 -6.384 57 H ARG 9 HN ARG 9 -4.124 1.420 0.286 58 HA ARG 9 HA ARG 9 -1.731 2.891 0.124 59 1HB ARG 9 HB2 ARG 9 -4.028 3.485 1.090 60 2HB ARG 9 HB1 ARG 9 -3.505 2.679 2.568 61 1HG ARG 9 HG2 ARG 9 -2.624 4.682 3.149 62 2HG ARG 9 HG1 ARG 9 -1.355 4.312 1.981 63 1HD ARG 9 HD2 ARG 9 -2.098 6.412 1.228 64 2HD ARG 9 HD1 ARG 9 -3.092 5.318 0.245 65 HE ARG 9 HE ARG 9 -4.675 5.551 2.408 66 1HH1 ARG 9 HH21 ARG 9 -2.680 8.062 2.610 67 2HH1 ARG 9 HH22 ARG 9 -3.800 9.304 2.160 68 1HH2 ARG 9 HH11 ARG 9 -6.203 7.088 1.005 69 2HH2 ARG 9 HH12 ARG 9 -5.794 8.753 1.252 70 H LEU 10 HN LEU 10 -2.696 0.664 2.771 71 HA LEU 10 HA LEU 10 -0.353 0.753 4.312 72 1HB LEU 10 HB2 LEU 10 -2.482 -0.406 4.858 73 2HB LEU 10 HB1 LEU 10 -2.109 -1.635 3.648 74 HG LEU 10 HG LEU 10 0.119 -1.218 5.479 75 1HD1 LEU 10 HD11 LEU 10 -2.591 -1.400 6.594 76 2HD1 LEU 10 HD12 LEU 10 -1.076 -0.973 7.389 77 3HD1 LEU 10 HD13 LEU 10 -1.512 -2.669 7.174 78 1HD2 LEU 10 HD21 LEU 10 0.367 -3.439 5.070 79 2HD2 LEU 10 HD22 LEU 10 -0.902 -3.216 3.867 80 3HD2 LEU 10 HD23 LEU 10 -1.311 -3.788 5.484 81 H PHE 11 HN PHE 11 -1.069 -1.494 1.608 82 HA PHE 11 HA PHE 11 1.407 -2.879 1.596 83 1HB PHE 11 HB2 PHE 11 -0.976 -2.696 0.089 84 2HB PHE 11 HB1 PHE 11 0.338 -2.440 -1.058 85 HD1 PHE 11 HD1 PHE 11 -1.131 -4.786 1.386 86 HD2 PHE 11 HD2 PHE 11 1.960 -4.183 -1.537 87 HE1 PHE 11 HE1 PHE 11 -0.630 -7.215 1.413 88 HE2 PHE 11 HE2 PHE 11 2.460 -6.612 -1.508 89 HZ PHE 11 HZ PHE 11 1.165 -8.128 -0.034 90 H ASN 12 HN ASN 12 0.435 -0.127 -0.498 91 HA ASN 12 HA ASN 12 2.866 0.329 -1.807 92 1HB ASN 12 HB2 ASN 12 0.395 1.523 -1.583 93 2HB ASN 12 HB1 ASN 12 1.454 2.745 -0.877 94 1HD2 ASN 12 HD21 ASN 12 3.581 3.085 -2.289 95 2HD2 ASN 12 HD22 ASN 12 3.332 3.168 -3.966 96 H ARG 13 HN ARG 13 1.813 1.766 1.307 97 HA ARG 13 HA ARG 13 4.172 3.248 1.857 98 1HB ARG 13 HB2 ARG 13 1.741 2.383 3.148 99 2HB ARG 13 HB1 ARG 13 3.088 2.238 4.278 100 1HG ARG 13 HG2 ARG 13 2.864 4.727 2.623 101 2HG ARG 13 HG1 ARG 13 1.801 4.537 4.018 102 1HD ARG 13 HD2 ARG 13 3.682 4.295 5.518 103 2HD ARG 13 HD1 ARG 13 4.818 4.215 4.156 104 HE ARG 13 HE ARG 13 3.192 6.645 4.811 105 1HH1 ARG 13 HH11 ARG 13 5.032 5.520 2.320 106 2HH1 ARG 13 HH12 ARG 13 6.242 6.758 2.381 107 1HH2 ARG 13 HH21 ARG 13 5.143 8.050 5.405 108 2HH2 ARG 13 HH22 ARG 13 6.306 8.190 4.128 109 H SER 14 HN SER 14 3.285 -0.038 2.997 110 HA SER 14 HA SER 14 5.746 -0.601 4.325 111 1HB SER 14 HB2 SER 14 4.833 -2.760 4.498 112 2HB SER 14 HB1 SER 14 3.397 -1.770 4.252 113 HG SER 14 HG SER 14 4.854 -3.224 2.292 114 H PHE 15 HN PHE 15 4.684 -1.333 0.986 115 HA PHE 15 HA PHE 15 6.983 -2.749 0.121 116 1HB PHE 15 HB2 PHE 15 4.665 -1.349 -0.989 117 2HB PHE 15 HB1 PHE 15 6.066 -1.276 -2.058 118 HD1 PHE 15 HD1 PHE 15 5.708 -2.867 -3.748 119 HD2 PHE 15 HD2 PHE 15 4.979 -3.928 0.350 120 HE1 PHE 15 HE1 PHE 15 5.317 -5.220 -4.426 121 HE2 PHE 15 HE2 PHE 15 4.588 -6.281 -0.328 122 HZ PHE 15 HZ PHE 15 4.756 -6.927 -2.716 123 H THR 16 HN THR 16 6.282 0.760 -0.075 124 HA THR 16 HA THR 16 8.794 1.489 -1.269 125 HB THR 16 HB THR 16 8.074 3.755 -0.594 126 HG1 THR 16 HG1 THR 16 7.095 3.826 1.250 127 1HG2 THR 16 HG21 THR 16 6.323 1.792 -1.906 128 2HG2 THR 16 HG22 THR 16 6.808 3.402 -2.439 129 3HG2 THR 16 HG23 THR 16 5.472 3.214 -1.303 130 H GLN 17 HN GLN 17 7.668 1.929 2.114 131 HA GLN 17 HA GLN 17 10.136 2.755 3.221 132 1HB GLN 17 HB2 GLN 17 7.518 1.935 4.048 133 2HB GLN 17 HB1 GLN 17 8.698 1.126 5.081 134 1HG GLN 17 HG2 GLN 17 8.941 4.069 4.477 135 2HG GLN 17 HG1 GLN 17 7.893 3.497 5.776 136 1HE2 GLN 17 HE21 GLN 17 11.294 3.435 4.642 137 2HE2 GLN 17 HE22 GLN 17 11.964 3.148 6.175 138 H ALA 18 HN ALA 18 8.950 -0.484 2.451 139 HA ALA 18 HA ALA 18 11.049 -1.898 3.894 140 1HB ALA 18 HB1 ALA 18 8.866 -2.886 3.421 141 2HB ALA 18 HB2 ALA 18 10.106 -3.820 2.585 142 3HB ALA 18 HB3 ALA 18 9.112 -2.671 1.689 143 H LEU 19 HN LEU 19 10.392 -1.719 0.370 144 HA LEU 19 HA LEU 19 12.884 -2.681 -0.524 145 1HB LEU 19 HB2 LEU 19 10.634 -2.044 -1.712 146 2HB LEU 19 HB1 LEU 19 11.395 -0.467 -1.920 147 HG LEU 19 HG LEU 19 13.023 -2.861 -2.629 148 1HD1 LEU 19 HD11 LEU 19 11.940 -2.688 -4.971 149 2HD1 LEU 19 HD12 LEU 19 10.591 -1.909 -4.145 150 3HD1 LEU 19 HD13 LEU 19 11.045 -3.560 -3.727 151 1HD2 LEU 19 HD21 LEU 19 13.640 -1.258 -4.504 152 2HD2 LEU 19 HD22 LEU 19 14.026 -0.688 -2.881 153 3HD2 LEU 19 HD23 LEU 19 12.606 -0.064 -3.720 154 H GLY 20 HN GLY 20 12.084 0.411 0.867 155 1HA GLY 20 HA2 GLY 20 14.634 1.606 -0.084 156 2HA GLY 20 HA1 GLY 20 13.340 2.475 0.746 157 H LYS 21 HN LYS 21 13.694 -0.376 2.405 158 HA LYS 21 HA LYS 21 16.089 0.032 3.931 159 1HB LYS 21 HB2 LYS 21 13.929 1.861 4.380 160 2HB LYS 21 HB1 LYS 21 14.108 0.856 5.819 161 1HG LYS 21 HG2 LYS 21 16.176 1.695 6.315 162 2HG LYS 21 HG1 LYS 21 16.631 1.851 4.618 163 1HD LYS 21 HD2 LYS 21 14.469 3.650 5.104 164 2HD LYS 21 HD1 LYS 21 15.665 3.887 6.379 165 1HE LYS 21 HE2 LYS 21 16.606 3.658 3.531 166 2HE LYS 21 HE1 LYS 21 15.944 5.199 4.112 167 1HZ LYS 21 HZ1 LYS 21 17.897 3.700 5.736 168 2HZ LYS 21 HZ2 LYS 21 17.524 5.357 5.775 169 3HZ LYS 21 HZ3 LYS 21 18.433 4.717 4.490 170 1HN NH2 22 1HN NH2 22 16.037 -2.335 3.909 171 2HN NH2 22 2HN NH2 22 14.926 -3.217 4.840 Start of MODEL 8 1 1H SER 1 1H SER 1 -10.693 0.364 -6.845 2 2H SER 1 2H SER 1 -9.300 0.423 -7.814 3 3H SER 1 3H SER 1 -10.813 0.101 -8.516 4 HA SER 1 HA SER 1 -9.727 2.510 -8.582 5 1HB SER 1 HB2 SER 1 -12.322 3.142 -8.524 6 2HB SER 1 HB1 SER 1 -11.658 2.139 -9.810 7 HG SER 1 HG SER 1 -13.479 1.525 -7.926 8 H GLY 2 HN GLY 2 -11.932 1.502 -5.941 9 1HA GLY 2 HA2 GLY 2 -10.576 3.225 -4.034 10 2HA GLY 2 HA1 GLY 2 -12.146 3.871 -4.513 11 H SER 3 HN SER 3 -11.214 0.463 -4.102 12 HA SER 3 HA SER 3 -13.409 0.223 -2.077 13 1HB SER 3 HB2 SER 3 -13.430 -1.011 -4.325 14 2HB SER 3 HB1 SER 3 -12.082 -1.959 -3.704 15 HG SER 3 HG SER 3 -13.673 -2.142 -1.788 16 H LEU 4 HN LEU 4 -10.149 -1.053 -2.852 17 HA LEU 4 HA LEU 4 -9.816 -1.865 -0.005 18 1HB LEU 4 HB2 LEU 4 -8.257 -2.368 -2.559 19 2HB LEU 4 HB1 LEU 4 -7.798 -3.014 -0.984 20 HG LEU 4 HG LEU 4 -10.603 -3.459 -1.913 21 1HD1 LEU 4 HD11 LEU 4 -8.312 -4.238 -3.453 22 2HD1 LEU 4 HD12 LEU 4 -10.008 -4.622 -3.745 23 3HD1 LEU 4 HD13 LEU 4 -9.024 -5.683 -2.736 24 1HD2 LEU 4 HD21 LEU 4 -9.808 -4.176 0.329 25 2HD2 LEU 4 HD22 LEU 4 -8.573 -5.171 -0.442 26 3HD2 LEU 4 HD23 LEU 4 -10.280 -5.554 -0.666 27 H SER 5 HN SER 5 -9.820 0.917 -0.337 28 HA SER 5 HA SER 5 -7.436 2.256 -0.924 29 1HB SER 5 HB2 SER 5 -9.231 3.610 -0.330 30 2HB SER 5 HB1 SER 5 -9.684 2.586 1.029 31 HG SER 5 HG SER 5 -7.296 4.114 0.920 32 H THR 6 HN THR 6 -8.300 1.534 2.467 33 HA THR 6 HA THR 6 -5.830 1.831 3.670 34 HB THR 6 HB THR 6 -7.944 -0.299 4.132 35 HG1 THR 6 HG1 THR 6 -8.931 1.557 4.485 36 1HG2 THR 6 HG21 THR 6 -6.656 0.501 6.536 37 2HG2 THR 6 HG22 THR 6 -5.389 0.094 5.377 38 3HG2 THR 6 HG23 THR 6 -6.633 -1.090 5.775 39 H PHE 7 HN PHE 7 -7.023 -1.370 2.562 40 HA PHE 7 HA PHE 7 -4.733 -2.897 2.864 41 1HB PHE 7 HB2 PHE 7 -6.854 -2.792 0.712 42 2HB PHE 7 HB1 PHE 7 -5.629 -4.061 0.739 43 HD1 PHE 7 HD1 PHE 7 -5.408 -5.521 2.798 44 HD2 PHE 7 HD2 PHE 7 -8.715 -2.847 2.193 45 HE1 PHE 7 HE1 PHE 7 -6.716 -6.749 4.510 46 HE2 PHE 7 HE2 PHE 7 -10.023 -4.076 3.905 47 HZ PHE 7 HZ PHE 7 -9.022 -6.027 5.064 48 H PHE 8 HN PHE 8 -5.537 -1.482 -0.326 49 HA PHE 8 HA PHE 8 -3.083 -1.787 -1.595 50 1HB PHE 8 HB2 PHE 8 -5.317 -0.827 -2.413 51 2HB PHE 8 HB1 PHE 8 -4.775 0.719 -1.760 52 HD1 PHE 8 HD1 PHE 8 -2.703 1.799 -2.647 53 HD2 PHE 8 HD2 PHE 8 -4.387 -1.725 -4.436 54 HE1 PHE 8 HE1 PHE 8 -1.355 2.192 -4.691 55 HE2 PHE 8 HE2 PHE 8 -3.040 -1.331 -6.480 56 HZ PHE 8 HZ PHE 8 -1.523 0.628 -6.608 57 H ARG 9 HN ARG 9 -4.068 1.105 0.291 58 HA ARG 9 HA ARG 9 -1.680 2.572 0.146 59 1HB ARG 9 HB2 ARG 9 -4.115 2.538 1.606 60 2HB ARG 9 HB1 ARG 9 -2.819 2.695 2.792 61 1HG ARG 9 HG2 ARG 9 -3.235 4.926 2.189 62 2HG ARG 9 HG1 ARG 9 -1.869 4.494 1.160 63 1HD ARG 9 HD2 ARG 9 -3.107 4.938 -0.681 64 2HD ARG 9 HD1 ARG 9 -4.312 3.738 -0.170 65 HE ARG 9 HE ARG 9 -5.394 5.512 1.174 66 1HH1 ARG 9 HH21 ARG 9 -2.918 7.309 1.221 67 2HH1 ARG 9 HH22 ARG 9 -3.414 8.580 0.156 68 1HH2 ARG 9 HH11 ARG 9 -6.058 6.783 -1.187 69 2HH2 ARG 9 HH12 ARG 9 -5.192 8.283 -1.208 70 H LEU 10 HN LEU 10 -2.583 0.296 2.773 71 HA LEU 10 HA LEU 10 -0.160 0.319 4.201 72 1HB LEU 10 HB2 LEU 10 -2.461 -1.508 3.771 73 2HB LEU 10 HB1 LEU 10 -1.018 -2.249 4.465 74 HG LEU 10 HG LEU 10 -2.361 0.251 5.535 75 1HD1 LEU 10 HD11 LEU 10 -3.554 -1.050 6.987 76 2HD1 LEU 10 HD12 LEU 10 -2.268 -2.250 7.124 77 3HD1 LEU 10 HD13 LEU 10 -3.352 -2.275 5.733 78 1HD2 LEU 10 HD21 LEU 10 0.250 -0.532 5.821 79 2HD2 LEU 10 HD22 LEU 10 -0.504 -1.334 7.198 80 3HD2 LEU 10 HD23 LEU 10 -0.636 0.415 7.016 81 H PHE 11 HN PHE 11 -1.083 -1.766 1.442 82 HA PHE 11 HA PHE 11 1.288 -3.331 1.323 83 1HB PHE 11 HB2 PHE 11 -1.108 -3.077 -0.031 84 2HB PHE 11 HB1 PHE 11 0.069 -2.584 -1.248 85 HD1 PHE 11 HD1 PHE 11 -0.919 -5.316 1.059 86 HD2 PHE 11 HD2 PHE 11 1.608 -4.153 -2.214 87 HE1 PHE 11 HE1 PHE 11 -0.300 -7.690 0.694 88 HE2 PHE 11 HE2 PHE 11 2.228 -6.526 -2.579 89 HZ PHE 11 HZ PHE 11 1.274 -8.295 -1.126 90 H ASN 12 HN ASN 12 0.466 -0.460 -0.672 91 HA ASN 12 HA ASN 12 2.991 -0.144 -1.912 92 1HB ASN 12 HB2 ASN 12 0.908 0.996 -2.562 93 2HB ASN 12 HB1 ASN 12 0.926 1.909 -1.052 94 1HD2 ASN 12 HD21 ASN 12 2.400 1.641 -4.242 95 2HD2 ASN 12 HD22 ASN 12 3.327 3.057 -4.137 96 H ARG 13 HN ARG 13 1.750 1.489 1.033 97 HA ARG 13 HA ARG 13 4.061 2.972 1.689 98 1HB ARG 13 HB2 ARG 13 1.550 2.376 2.760 99 2HB ARG 13 HB1 ARG 13 2.683 1.813 3.989 100 1HG ARG 13 HG2 ARG 13 3.360 4.433 2.813 101 2HG ARG 13 HG1 ARG 13 1.857 4.411 3.736 102 1HD ARG 13 HD2 ARG 13 2.947 3.735 5.726 103 2HD ARG 13 HD1 ARG 13 4.392 3.190 4.849 104 HE ARG 13 HE ARG 13 4.461 5.759 4.157 105 1HH1 ARG 13 HH11 ARG 13 4.058 4.183 7.177 106 2HH1 ARG 13 HH12 ARG 13 4.332 5.610 8.119 107 1HH2 ARG 13 HH21 ARG 13 4.605 7.696 5.362 108 2HH2 ARG 13 HH22 ARG 13 4.641 7.600 7.091 109 H SER 14 HN SER 14 3.134 -0.249 2.980 110 HA SER 14 HA SER 14 5.465 -0.793 4.461 111 1HB SER 14 HB2 SER 14 3.157 -2.049 3.979 112 2HB SER 14 HB1 SER 14 4.161 -2.951 2.848 113 HG SER 14 HG SER 14 4.243 -2.818 5.634 114 H PHE 15 HN PHE 15 4.806 -1.625 1.035 115 HA PHE 15 HA PHE 15 7.396 -2.762 0.518 116 1HB PHE 15 HB2 PHE 15 5.016 -1.791 -0.992 117 2HB PHE 15 HB1 PHE 15 6.515 -1.961 -1.907 118 HD1 PHE 15 HD1 PHE 15 3.919 -3.731 0.013 119 HD2 PHE 15 HD2 PHE 15 7.582 -4.145 -2.193 120 HE1 PHE 15 HE1 PHE 15 3.585 -6.186 -0.081 121 HE2 PHE 15 HE2 PHE 15 7.248 -6.600 -2.287 122 HZ PHE 15 HZ PHE 15 5.249 -7.621 -1.231 123 H THR 16 HN THR 16 6.046 0.476 -0.236 124 HA THR 16 HA THR 16 8.361 1.604 -1.417 125 HB THR 16 HB THR 16 6.140 2.793 0.272 126 HG1 THR 16 HG1 THR 16 6.363 3.074 -2.487 127 1HG2 THR 16 HG21 THR 16 7.566 4.428 -1.751 128 2HG2 THR 16 HG22 THR 16 8.453 4.084 -0.266 129 3HG2 THR 16 HG23 THR 16 6.892 4.901 -0.193 130 H GLN 17 HN GLN 17 7.290 1.835 2.000 131 HA GLN 17 HA GLN 17 9.596 3.209 2.969 132 1HB GLN 17 HB2 GLN 17 7.162 2.158 3.914 133 2HB GLN 17 HB1 GLN 17 8.411 1.370 4.879 134 1HG GLN 17 HG2 GLN 17 8.772 4.280 4.435 135 2HG GLN 17 HG1 GLN 17 7.414 3.824 5.464 136 1HE2 GLN 17 HE21 GLN 17 10.383 4.897 5.919 137 2HE2 GLN 17 HE22 GLN 17 10.910 3.936 7.215 138 H ALA 18 HN ALA 18 8.806 -0.290 3.111 139 HA ALA 18 HA ALA 18 11.228 -1.188 4.269 140 1HB ALA 18 HB1 ALA 18 9.590 -2.603 2.147 141 2HB ALA 18 HB2 ALA 18 9.045 -2.421 3.814 142 3HB ALA 18 HB3 ALA 18 10.508 -3.341 3.460 143 H LEU 19 HN LEU 19 10.458 -0.366 0.914 144 HA LEU 19 HA LEU 19 12.760 -1.516 -0.339 145 1HB LEU 19 HB2 LEU 19 10.762 0.648 -0.908 146 2HB LEU 19 HB1 LEU 19 12.170 0.504 -1.962 147 HG LEU 19 HG LEU 19 10.556 -1.938 -1.276 148 1HD1 LEU 19 HD11 LEU 19 8.850 -1.428 -2.701 149 2HD1 LEU 19 HD12 LEU 19 9.910 -0.561 -3.813 150 3HD1 LEU 19 HD13 LEU 19 9.313 0.239 -2.359 151 1HD2 LEU 19 HD21 LEU 19 12.798 -1.274 -2.934 152 2HD2 LEU 19 HD22 LEU 19 11.469 -1.780 -3.977 153 3HD2 LEU 19 HD23 LEU 19 12.045 -2.851 -2.699 154 H GLY 20 HN GLY 20 12.193 1.943 0.444 155 1HA GLY 20 HA2 GLY 20 13.759 3.421 1.502 156 2HA GLY 20 HA1 GLY 20 15.007 2.185 1.327 157 H LYS 21 HN LYS 21 13.456 2.295 -1.604 158 HA LYS 21 HA LYS 21 14.738 4.683 -2.718 159 1HB LYS 21 HB2 LYS 21 16.339 3.354 -4.092 160 2HB LYS 21 HB1 LYS 21 16.651 3.181 -2.365 161 1HG LYS 21 HG2 LYS 21 16.419 0.954 -2.570 162 2HG LYS 21 HG1 LYS 21 14.742 1.196 -3.063 163 1HD LYS 21 HD2 LYS 21 15.368 1.363 -5.384 164 2HD LYS 21 HD1 LYS 21 17.084 1.398 -4.973 165 1HE LYS 21 HE2 LYS 21 17.180 -0.877 -4.611 166 2HE LYS 21 HE1 LYS 21 15.515 -0.952 -4.002 167 1HZ LYS 21 HZ1 LYS 21 15.021 -0.144 -6.446 168 2HZ LYS 21 HZ2 LYS 21 15.182 -1.795 -6.076 169 3HZ LYS 21 HZ3 LYS 21 16.482 -0.947 -6.765 170 1HN NH2 22 1HN NH2 22 14.919 3.678 -5.423 171 2HN NH2 22 2HN NH2 22 13.359 3.256 -5.942 Start of MODEL 9 1 1H SER 1 1H SER 1 -13.882 -2.058 -3.931 2 2H SER 1 2H SER 1 -14.371 -2.525 -5.489 3 3H SER 1 3H SER 1 -14.134 -3.697 -4.284 4 HA SER 1 HA SER 1 -16.361 -1.786 -4.596 5 1HB SER 1 HB2 SER 1 -16.214 -4.205 -5.448 6 2HB SER 1 HB1 SER 1 -16.242 -4.692 -3.756 7 HG SER 1 HG SER 1 -18.170 -3.000 -4.974 8 H GLY 2 HN GLY 2 -14.621 -3.771 -2.186 9 1HA GLY 2 HA2 GLY 2 -15.679 -1.972 -0.068 10 2HA GLY 2 HA1 GLY 2 -15.916 -3.710 0.118 11 H SER 3 HN SER 3 -14.101 -1.466 1.404 12 HA SER 3 HA SER 3 -11.925 -1.383 2.332 13 1HB SER 3 HB2 SER 3 -13.000 -3.422 3.331 14 2HB SER 3 HB1 SER 3 -12.277 -4.385 2.045 15 HG SER 3 HG SER 3 -10.763 -2.683 3.726 16 H LEU 4 HN LEU 4 -10.996 -0.483 0.313 17 HA LEU 4 HA LEU 4 -9.258 -2.477 -1.105 18 1HB LEU 4 HB2 LEU 4 -11.409 -1.237 -2.186 19 2HB LEU 4 HB1 LEU 4 -10.175 -0.019 -2.511 20 HG LEU 4 HG LEU 4 -10.391 -1.671 -4.366 21 1HD1 LEU 4 HD11 LEU 4 -7.936 -2.291 -4.414 22 2HD1 LEU 4 HD12 LEU 4 -7.812 -1.651 -2.776 23 3HD1 LEU 4 HD13 LEU 4 -8.255 -0.584 -4.109 24 1HD2 LEU 4 HD21 LEU 4 -10.107 -3.951 -4.056 25 2HD2 LEU 4 HD22 LEU 4 -10.843 -3.530 -2.510 26 3HD2 LEU 4 HD23 LEU 4 -9.095 -3.736 -2.628 27 H SER 5 HN SER 5 -9.626 1.089 -0.975 28 HA SER 5 HA SER 5 -6.967 1.827 -1.361 29 1HB SER 5 HB2 SER 5 -7.747 3.737 0.316 30 2HB SER 5 HB1 SER 5 -8.500 3.573 -1.268 31 HG SER 5 HG SER 5 -10.286 3.237 -0.232 32 H THR 6 HN THR 6 -8.526 1.112 1.788 33 HA THR 6 HA THR 6 -6.442 1.557 3.563 34 HB THR 6 HB THR 6 -8.087 -0.972 3.638 35 HG1 THR 6 HG1 THR 6 -8.921 1.714 3.759 36 1HG2 THR 6 HG21 THR 6 -7.415 -0.937 5.780 37 2HG2 THR 6 HG22 THR 6 -8.210 0.623 5.994 38 3HG2 THR 6 HG23 THR 6 -6.523 0.556 5.485 39 H PHE 7 HN PHE 7 -7.051 -1.728 2.263 40 HA PHE 7 HA PHE 7 -4.538 -2.826 2.949 41 1HB PHE 7 HB2 PHE 7 -6.813 -3.782 1.979 42 2HB PHE 7 HB1 PHE 7 -5.974 -3.618 0.437 43 HD1 PHE 7 HD1 PHE 7 -6.852 -6.227 1.917 44 HD2 PHE 7 HD2 PHE 7 -3.152 -4.056 1.704 45 HE1 PHE 7 HE1 PHE 7 -5.599 -8.317 2.374 46 HE2 PHE 7 HE2 PHE 7 -1.898 -6.146 2.161 47 HZ PHE 7 HZ PHE 7 -3.122 -8.278 2.497 48 H PHE 8 HN PHE 8 -5.562 -1.522 -0.235 49 HA PHE 8 HA PHE 8 -3.176 -1.800 -1.662 50 1HB PHE 8 HB2 PHE 8 -5.313 -0.987 -2.566 51 2HB PHE 8 HB1 PHE 8 -5.160 0.498 -1.628 52 HD1 PHE 8 HD1 PHE 8 -4.007 -1.352 -4.570 53 HD2 PHE 8 HD2 PHE 8 -3.411 2.161 -2.171 54 HE1 PHE 8 HE1 PHE 8 -2.660 -0.339 -6.389 55 HE2 PHE 8 HE2 PHE 8 -2.063 3.174 -3.990 56 HZ PHE 8 HZ PHE 8 -1.688 1.924 -6.099 57 H ARG 9 HN ARG 9 -4.131 1.197 0.070 58 HA ARG 9 HA ARG 9 -1.687 2.572 -0.128 59 1HB ARG 9 HB2 ARG 9 -3.709 3.608 0.684 60 2HB ARG 9 HB1 ARG 9 -3.815 2.471 2.029 61 1HG ARG 9 HG2 ARG 9 -1.647 3.368 2.897 62 2HG ARG 9 HG1 ARG 9 -1.673 4.576 1.612 63 1HD ARG 9 HD2 ARG 9 -4.030 5.196 2.516 64 2HD ARG 9 HD1 ARG 9 -3.538 4.309 3.973 65 HE ARG 9 HE ARG 9 -1.500 6.176 3.035 66 1HH1 ARG 9 HH11 ARG 9 -4.592 6.130 4.507 67 2HH1 ARG 9 HH12 ARG 9 -4.190 7.297 5.722 68 1HH2 ARG 9 HH21 ARG 9 -0.862 7.528 4.775 69 2HH2 ARG 9 HH22 ARG 9 -2.078 8.089 5.873 70 H LEU 10 HN LEU 10 -2.755 0.379 2.501 71 HA LEU 10 HA LEU 10 -0.505 0.515 4.173 72 1HB LEU 10 HB2 LEU 10 -2.581 -0.678 4.687 73 2HB LEU 10 HB1 LEU 10 -2.258 -1.840 3.399 74 HG LEU 10 HG LEU 10 0.025 -1.646 5.164 75 1HD1 LEU 10 HD11 LEU 10 -1.582 -1.001 6.884 76 2HD1 LEU 10 HD12 LEU 10 -1.078 -2.668 7.158 77 3HD1 LEU 10 HD13 LEU 10 -2.647 -2.331 6.426 78 1HD2 LEU 10 HD21 LEU 10 -0.594 -3.503 3.580 79 2HD2 LEU 10 HD22 LEU 10 -1.915 -3.924 4.670 80 3HD2 LEU 10 HD23 LEU 10 -0.243 -4.058 5.216 81 H PHE 11 HN PHE 11 -1.037 -1.853 1.526 82 HA PHE 11 HA PHE 11 1.522 -3.084 1.639 83 1HB PHE 11 HB2 PHE 11 -0.745 -3.538 0.327 84 2HB PHE 11 HB1 PHE 11 0.079 -2.648 -0.954 85 HD1 PHE 11 HD1 PHE 11 2.924 -3.532 -0.074 86 HD2 PHE 11 HD2 PHE 11 -0.717 -5.685 -0.821 87 HE1 PHE 11 HE1 PHE 11 4.237 -5.558 -0.640 88 HE2 PHE 11 HE2 PHE 11 0.597 -7.710 -1.388 89 HZ PHE 11 HZ PHE 11 3.074 -7.646 -1.298 90 H ASN 12 HN ASN 12 0.396 -0.434 -0.503 91 HA ASN 12 HA ASN 12 2.800 0.065 -1.880 92 1HB ASN 12 HB2 ASN 12 0.554 1.056 -2.312 93 2HB ASN 12 HB1 ASN 12 0.735 2.046 -0.864 94 1HD2 ASN 12 HD21 ASN 12 1.124 2.171 -4.181 95 2HD2 ASN 12 HD22 ASN 12 2.294 3.398 -4.272 96 H ARG 13 HN ARG 13 1.675 1.595 1.164 97 HA ARG 13 HA ARG 13 3.984 3.195 1.630 98 1HB ARG 13 HB2 ARG 13 1.609 2.209 3.043 99 2HB ARG 13 HB1 ARG 13 2.982 2.476 4.118 100 1HG ARG 13 HG2 ARG 13 2.257 4.555 2.069 101 2HG ARG 13 HG1 ARG 13 1.374 4.476 3.595 102 1HD ARG 13 HD2 ARG 13 3.580 4.587 4.809 103 2HD ARG 13 HD1 ARG 13 4.366 4.868 3.242 104 HE ARG 13 HE ARG 13 2.401 6.706 4.527 105 1HH1 ARG 13 HH11 ARG 13 2.169 6.750 1.553 106 2HH1 ARG 13 HH12 ARG 13 3.314 7.973 1.110 107 1HH2 ARG 13 HH21 ARG 13 4.947 7.927 4.168 108 2HH2 ARG 13 HH22 ARG 13 4.885 8.640 2.591 109 H SER 14 HN SER 14 3.156 0.023 3.100 110 HA SER 14 HA SER 14 5.587 -0.416 4.469 111 1HB SER 14 HB2 SER 14 4.882 -2.835 4.222 112 2HB SER 14 HB1 SER 14 3.608 -1.767 4.802 113 HG SER 14 HG SER 14 2.521 -2.220 3.069 114 H PHE 15 HN PHE 15 4.703 -1.274 1.113 115 HA PHE 15 HA PHE 15 7.119 -2.638 0.434 116 1HB PHE 15 HB2 PHE 15 4.738 -2.216 -0.727 117 2HB PHE 15 HB1 PHE 15 5.659 -0.970 -1.571 118 HD1 PHE 15 HD1 PHE 15 4.435 -3.630 -2.692 119 HD2 PHE 15 HD2 PHE 15 8.359 -2.507 -1.354 120 HE1 PHE 15 HE1 PHE 15 5.432 -5.359 -4.164 121 HE2 PHE 15 HE2 PHE 15 9.357 -4.237 -2.826 122 HZ PHE 15 HZ PHE 15 7.892 -5.663 -4.230 123 H THR 16 HN THR 16 6.184 0.796 0.030 124 HA THR 16 HA THR 16 8.615 1.658 -1.212 125 HB THR 16 HB THR 16 6.714 3.184 0.598 126 HG1 THR 16 HG1 THR 16 6.590 2.479 -2.140 127 1HG2 THR 16 HG21 THR 16 7.987 4.363 -1.820 128 2HG2 THR 16 HG22 THR 16 9.029 4.090 -0.423 129 3HG2 THR 16 HG23 THR 16 7.601 5.114 -0.271 130 H GLN 17 HN GLN 17 7.610 1.553 2.215 131 HA GLN 17 HA GLN 17 9.966 2.798 3.286 132 1HB GLN 17 HB2 GLN 17 7.679 2.377 4.346 133 2HB GLN 17 HB1 GLN 17 8.203 0.711 4.595 134 1HG GLN 17 HG2 GLN 17 9.845 1.313 6.135 135 2HG GLN 17 HG1 GLN 17 9.968 2.959 5.512 136 1HE2 GLN 17 HE21 GLN 17 7.274 3.771 5.536 137 2HE2 GLN 17 HE22 GLN 17 6.697 3.772 7.132 138 H ALA 18 HN ALA 18 9.064 -0.659 2.968 139 HA ALA 18 HA ALA 18 11.505 -1.725 4.012 140 1HB ALA 18 HB1 ALA 18 9.042 -2.593 2.876 141 2HB ALA 18 HB2 ALA 18 10.229 -3.568 3.744 142 3HB ALA 18 HB3 ALA 18 10.336 -3.404 1.991 143 H LEU 19 HN LEU 19 10.472 -1.142 0.630 144 HA LEU 19 HA LEU 19 12.797 -2.074 -0.685 145 1HB LEU 19 HB2 LEU 19 10.767 -1.509 -1.861 146 2HB LEU 19 HB1 LEU 19 10.832 0.157 -1.282 147 HG LEU 19 HG LEU 19 13.081 0.337 -2.486 148 1HD1 LEU 19 HD11 LEU 19 12.110 -1.975 -4.139 149 2HD1 LEU 19 HD12 LEU 19 13.074 -2.287 -2.696 150 3HD1 LEU 19 HD13 LEU 19 13.737 -1.309 -4.005 151 1HD2 LEU 19 HD21 LEU 19 11.823 1.420 -4.010 152 2HD2 LEU 19 HD22 LEU 19 10.401 0.562 -3.417 153 3HD2 LEU 19 HD23 LEU 19 11.352 -0.115 -4.738 154 H GLY 20 HN GLY 20 12.083 1.173 0.631 155 1HA GLY 20 HA2 GLY 20 14.671 2.242 -0.183 156 2HA GLY 20 HA1 GLY 20 13.503 3.048 0.868 157 H LYS 21 HN LYS 21 13.882 0.006 2.138 158 HA LYS 21 HA LYS 21 15.467 0.995 4.377 159 1HB LYS 21 HB2 LYS 21 13.507 -0.760 4.179 160 2HB LYS 21 HB1 LYS 21 14.819 -1.892 3.846 161 1HG LYS 21 HG2 LYS 21 15.333 -0.111 6.133 162 2HG LYS 21 HG1 LYS 21 13.961 -1.196 6.364 163 1HD LYS 21 HD2 LYS 21 16.266 -2.524 5.135 164 2HD LYS 21 HD1 LYS 21 16.618 -1.877 6.738 165 1HE LYS 21 HE2 LYS 21 15.151 -3.315 7.788 166 2HE LYS 21 HE1 LYS 21 14.031 -3.338 6.411 167 1HZ LYS 21 HZ1 LYS 21 15.453 -4.733 5.194 168 2HZ LYS 21 HZ2 LYS 21 15.425 -5.410 6.751 169 3HZ LYS 21 HZ3 LYS 21 16.757 -4.484 6.248 170 1HN NH2 22 1HN NH2 22 17.619 1.447 3.465 171 2HN NH2 22 2HN NH2 22 18.647 0.195 2.958 Start of MODEL 10 1 1H SER 1 1H SER 1 -12.222 5.197 -11.795 2 2H SER 1 2H SER 1 -11.274 5.979 -10.623 3 3H SER 1 3H SER 1 -12.813 5.388 -10.217 4 HA SER 1 HA SER 1 -12.090 3.120 -10.471 5 1HB SER 1 HB2 SER 1 -10.432 4.255 -12.308 6 2HB SER 1 HB1 SER 1 -9.296 3.978 -10.991 7 HG SER 1 HG SER 1 -10.485 1.791 -10.997 8 H GLY 2 HN GLY 2 -10.506 2.025 -8.907 9 1HA GLY 2 HA2 GLY 2 -8.793 2.651 -7.087 10 2HA GLY 2 HA1 GLY 2 -9.984 3.861 -6.608 11 H SER 3 HN SER 3 -8.934 1.484 -5.115 12 HA SER 3 HA SER 3 -11.398 0.639 -3.898 13 1HB SER 3 HB2 SER 3 -11.976 -0.805 -5.573 14 2HB SER 3 HB1 SER 3 -10.345 -0.830 -6.236 15 HG SER 3 HG SER 3 -11.261 -2.191 -3.914 16 H LEU 4 HN LEU 4 -10.979 -1.047 -2.214 17 HA LEU 4 HA LEU 4 -9.654 -1.795 -0.400 18 1HB LEU 4 HB2 LEU 4 -8.432 -2.512 -2.987 19 2HB LEU 4 HB1 LEU 4 -7.312 -2.576 -1.625 20 HG LEU 4 HG LEU 4 -9.412 -3.800 -0.483 21 1HD1 LEU 4 HD11 LEU 4 -10.354 -5.364 -2.253 22 2HD1 LEU 4 HD12 LEU 4 -9.664 -4.281 -3.462 23 3HD1 LEU 4 HD13 LEU 4 -10.909 -3.693 -2.358 24 1HD2 LEU 4 HD21 LEU 4 -8.285 -5.890 -0.941 25 2HD2 LEU 4 HD22 LEU 4 -7.049 -4.638 -0.825 26 3HD2 LEU 4 HD23 LEU 4 -7.556 -5.233 -2.407 27 H SER 5 HN SER 5 -9.566 0.965 -0.527 28 HA SER 5 HA SER 5 -7.077 2.241 -0.892 29 1HB SER 5 HB2 SER 5 -8.030 3.879 0.728 30 2HB SER 5 HB1 SER 5 -9.218 3.367 -0.467 31 HG SER 5 HG SER 5 -9.922 1.808 1.111 32 H THR 6 HN THR 6 -8.380 1.255 2.301 33 HA THR 6 HA THR 6 -6.094 1.551 3.853 34 HB THR 6 HB THR 6 -8.313 -0.505 3.845 35 HG1 THR 6 HG1 THR 6 -8.714 0.872 5.815 36 1HG2 THR 6 HG21 THR 6 -5.968 -0.201 5.695 37 2HG2 THR 6 HG22 THR 6 -6.719 -1.675 5.082 38 3HG2 THR 6 HG23 THR 6 -7.523 -0.731 6.337 39 H PHE 7 HN PHE 7 -7.051 -1.578 2.372 40 HA PHE 7 HA PHE 7 -4.654 -2.978 2.881 41 1HB PHE 7 HB2 PHE 7 -6.996 -3.137 1.096 42 2HB PHE 7 HB1 PHE 7 -5.570 -3.974 0.481 43 HD1 PHE 7 HD1 PHE 7 -7.283 -3.485 3.792 44 HD2 PHE 7 HD2 PHE 7 -5.373 -6.210 1.075 45 HE1 PHE 7 HE1 PHE 7 -7.690 -5.350 5.376 46 HE2 PHE 7 HE2 PHE 7 -5.779 -8.074 2.660 47 HZ PHE 7 HZ PHE 7 -6.938 -7.644 4.810 48 H PHE 8 HN PHE 8 -5.566 -1.279 -0.148 49 HA PHE 8 HA PHE 8 -3.159 -1.624 -1.567 50 1HB PHE 8 HB2 PHE 8 -5.382 -0.630 -2.299 51 2HB PHE 8 HB1 PHE 8 -4.884 0.869 -1.514 52 HD1 PHE 8 HD1 PHE 8 -3.411 -1.693 -3.837 53 HD2 PHE 8 HD2 PHE 8 -3.881 2.466 -2.870 54 HE1 PHE 8 HE1 PHE 8 -2.090 -1.077 -5.844 55 HE2 PHE 8 HE2 PHE 8 -2.560 3.082 -4.877 56 HZ PHE 8 HZ PHE 8 -1.665 1.311 -6.364 57 H ARG 9 HN ARG 9 -4.026 1.419 0.120 58 HA ARG 9 HA ARG 9 -1.546 2.676 0.105 59 1HB ARG 9 HB2 ARG 9 -4.012 2.703 1.677 60 2HB ARG 9 HB1 ARG 9 -2.614 3.210 2.626 61 1HG ARG 9 HG2 ARG 9 -2.751 4.338 -0.106 62 2HG ARG 9 HG1 ARG 9 -4.017 4.882 0.995 63 1HD ARG 9 HD2 ARG 9 -1.067 4.914 1.716 64 2HD ARG 9 HD1 ARG 9 -1.937 6.318 1.066 65 HE ARG 9 HE ARG 9 -3.360 5.117 3.289 66 1HH1 ARG 9 HH11 ARG 9 -2.609 8.069 2.390 67 2HH1 ARG 9 HH12 ARG 9 -1.837 8.603 3.846 68 1HH2 ARG 9 HH21 ARG 9 -1.566 5.415 5.184 69 2HH2 ARG 9 HH22 ARG 9 -1.246 7.100 5.427 70 H LEU 10 HN LEU 10 -2.702 0.275 2.491 71 HA LEU 10 HA LEU 10 -0.462 0.298 4.230 72 1HB LEU 10 HB2 LEU 10 -2.585 -1.656 3.403 73 2HB LEU 10 HB1 LEU 10 -1.283 -2.213 4.455 74 HG LEU 10 HG LEU 10 -2.887 0.282 5.046 75 1HD1 LEU 10 HD11 LEU 10 -4.079 -1.215 6.719 76 2HD1 LEU 10 HD12 LEU 10 -3.390 -2.593 5.860 77 3HD1 LEU 10 HD13 LEU 10 -4.499 -1.501 5.030 78 1HD2 LEU 10 HD21 LEU 10 -1.989 -0.930 7.390 79 2HD2 LEU 10 HD22 LEU 10 -1.249 0.461 6.598 80 3HD2 LEU 10 HD23 LEU 10 -0.655 -1.165 6.261 81 H PHE 11 HN PHE 11 -1.099 -2.040 1.579 82 HA PHE 11 HA PHE 11 1.420 -3.326 1.616 83 1HB PHE 11 HB2 PHE 11 -0.890 -2.981 -0.177 84 2HB PHE 11 HB1 PHE 11 0.612 -3.354 -1.023 85 HD1 PHE 11 HD1 PHE 11 -2.115 -4.705 0.842 86 HD2 PHE 11 HD2 PHE 11 2.038 -5.317 -0.072 87 HE1 PHE 11 HE1 PHE 11 -2.313 -7.080 1.528 88 HE2 PHE 11 HE2 PHE 11 1.839 -7.692 0.615 89 HZ PHE 11 HZ PHE 11 -0.337 -8.574 1.415 90 H ASN 12 HN ASN 12 0.361 -0.501 -0.313 91 HA ASN 12 HA ASN 12 2.765 -0.087 -1.766 92 1HB ASN 12 HB2 ASN 12 0.285 1.281 -1.111 93 2HB ASN 12 HB1 ASN 12 1.629 2.421 -1.191 94 1HD2 ASN 12 HD21 ASN 12 0.747 3.285 -3.245 95 2HD2 ASN 12 HD22 ASN 12 0.932 2.412 -4.690 96 H ARG 13 HN ARG 13 1.710 1.626 1.210 97 HA ARG 13 HA ARG 13 4.095 3.036 1.722 98 1HB ARG 13 HB2 ARG 13 1.618 2.561 2.920 99 2HB ARG 13 HB1 ARG 13 2.784 1.990 4.115 100 1HG ARG 13 HG2 ARG 13 3.039 4.151 4.716 101 2HG ARG 13 HG1 ARG 13 3.896 4.370 3.191 102 1HD ARG 13 HD2 ARG 13 0.884 4.642 3.494 103 2HD ARG 13 HD1 ARG 13 2.017 6.008 3.467 104 HE ARG 13 HE ARG 13 2.537 4.288 1.230 105 1HH1 ARG 13 HH21 ARG 13 1.808 7.382 1.748 106 2HH1 ARG 13 HH22 ARG 13 0.608 7.560 0.512 107 1HH2 ARG 13 HH11 ARG 13 0.320 4.153 -0.070 108 2HH2 ARG 13 HH12 ARG 13 -0.234 5.732 -0.517 109 H SER 14 HN SER 14 3.130 -0.146 3.078 110 HA SER 14 HA SER 14 5.459 -0.736 4.532 111 1HB SER 14 HB2 SER 14 3.496 -2.406 2.953 112 2HB SER 14 HB1 SER 14 4.769 -3.146 3.920 113 HG SER 14 HG SER 14 3.868 -2.357 5.729 114 H PHE 15 HN PHE 15 4.781 -1.638 1.124 115 HA PHE 15 HA PHE 15 7.402 -2.711 0.614 116 1HB PHE 15 HB2 PHE 15 4.974 -2.692 -0.612 117 2HB PHE 15 HB1 PHE 15 5.829 -1.504 -1.596 118 HD1 PHE 15 HD1 PHE 15 5.737 -5.021 -0.497 119 HD2 PHE 15 HD2 PHE 15 7.767 -2.128 -2.938 120 HE1 PHE 15 HE1 PHE 15 6.933 -6.849 -1.670 121 HE2 PHE 15 HE2 PHE 15 8.962 -3.956 -4.111 122 HZ PHE 15 HZ PHE 15 8.545 -6.317 -3.478 123 H THR 16 HN THR 16 5.930 0.442 -0.262 124 HA THR 16 HA THR 16 8.073 1.656 -1.574 125 HB THR 16 HB THR 16 5.984 2.674 0.361 126 HG1 THR 16 HG1 THR 16 6.301 2.386 -2.396 127 1HG2 THR 16 HG21 THR 16 8.195 4.141 -1.027 128 2HG2 THR 16 HG22 THR 16 7.512 4.408 0.576 129 3HG2 THR 16 HG23 THR 16 6.626 4.927 -0.857 130 H GLN 17 HN GLN 17 7.427 1.988 1.944 131 HA GLN 17 HA GLN 17 9.980 3.172 2.539 132 1HB GLN 17 HB2 GLN 17 7.553 2.685 3.795 133 2HB GLN 17 HB1 GLN 17 8.673 1.652 4.682 134 1HG GLN 17 HG2 GLN 17 10.200 3.826 4.606 135 2HG GLN 17 HG1 GLN 17 8.641 4.632 4.427 136 1HE2 GLN 17 HE21 GLN 17 9.762 5.308 6.754 137 2HE2 GLN 17 HE22 GLN 17 9.136 4.432 8.066 138 H ALA 18 HN ALA 18 8.748 -0.157 3.066 139 HA ALA 18 HA ALA 18 10.938 -1.404 4.205 140 1HB ALA 18 HB1 ALA 18 8.835 -2.517 3.672 141 2HB ALA 18 HB2 ALA 18 10.151 -3.411 2.909 142 3HB ALA 18 HB3 ALA 18 9.139 -2.336 1.945 143 H LEU 19 HN LEU 19 10.463 -1.015 0.667 144 HA LEU 19 HA LEU 19 13.097 -1.986 -0.018 145 1HB LEU 19 HB2 LEU 19 10.906 -1.803 -1.390 146 2HB LEU 19 HB1 LEU 19 11.373 -0.123 -1.655 147 HG LEU 19 HG LEU 19 13.710 -1.544 -2.172 148 1HD1 LEU 19 HD11 LEU 19 11.598 -2.918 -3.788 149 2HD1 LEU 19 HD12 LEU 19 11.940 -3.527 -2.169 150 3HD1 LEU 19 HD13 LEU 19 13.224 -3.464 -3.376 151 1HD2 LEU 19 HD21 LEU 19 13.520 -0.082 -3.877 152 2HD2 LEU 19 HD22 LEU 19 11.804 0.131 -3.534 153 3HD2 LEU 19 HD23 LEU 19 12.333 -1.150 -4.624 154 H GLY 20 HN GLY 20 11.722 1.331 -0.124 155 1HA GLY 20 HA2 GLY 20 13.157 3.088 1.038 156 2HA GLY 20 HA1 GLY 20 14.517 2.360 0.179 157 H LYS 21 HN LYS 21 11.944 2.145 -1.903 158 HA LYS 21 HA LYS 21 12.969 4.286 -3.599 159 1HB LYS 21 HB2 LYS 21 12.193 2.210 -4.556 160 2HB LYS 21 HB1 LYS 21 10.638 2.352 -3.735 161 1HG LYS 21 HG2 LYS 21 9.950 4.160 -5.106 162 2HG LYS 21 HG1 LYS 21 11.593 4.453 -5.683 163 1HD LYS 21 HD2 LYS 21 11.384 2.927 -7.333 164 2HD LYS 21 HD1 LYS 21 10.711 1.724 -6.231 165 1HE LYS 21 HE2 LYS 21 8.533 2.304 -6.715 166 2HE LYS 21 HE1 LYS 21 8.938 4.014 -6.965 167 1HZ LYS 21 HZ1 LYS 21 8.486 2.401 -8.992 168 2HZ LYS 21 HZ2 LYS 21 10.136 2.055 -8.775 169 3HZ LYS 21 HZ3 LYS 21 9.633 3.647 -9.084 170 1HN NH2 22 1HN NH2 22 9.475 3.891 -3.299 171 2HN NH2 22 2HN NH2 22 9.149 5.459 -2.736 Start of MODEL 11 1 1H SER 1 1H SER 1 -5.982 -1.498 -9.067 2 2H SER 1 2H SER 1 -7.213 -0.842 -10.035 3 3H SER 1 3H SER 1 -5.950 -1.726 -10.748 4 HA SER 1 HA SER 1 -8.014 -3.040 -10.603 5 1HB SER 1 HB2 SER 1 -5.763 -4.035 -10.644 6 2HB SER 1 HB1 SER 1 -5.637 -3.851 -8.897 7 HG SER 1 HG SER 1 -6.636 -5.684 -8.759 8 H GLY 2 HN GLY 2 -9.873 -2.630 -9.426 9 1HA GLY 2 HA2 GLY 2 -11.330 -2.650 -7.584 10 2HA GLY 2 HA1 GLY 2 -10.086 -3.547 -6.712 11 H SER 3 HN SER 3 -11.301 -1.842 -5.122 12 HA SER 3 HA SER 3 -10.224 0.871 -5.198 13 1HB SER 3 HB2 SER 3 -11.333 -0.370 -2.721 14 2HB SER 3 HB1 SER 3 -11.701 1.190 -3.451 15 HG SER 3 HG SER 3 -13.447 -0.091 -3.836 16 H LEU 4 HN LEU 4 -8.559 1.705 -3.858 17 HA LEU 4 HA LEU 4 -6.413 -0.093 -3.156 18 1HB LEU 4 HB2 LEU 4 -7.052 2.823 -2.657 19 2HB LEU 4 HB1 LEU 4 -5.540 2.090 -2.120 20 HG LEU 4 HG LEU 4 -5.633 1.219 -4.701 21 1HD1 LEU 4 HD11 LEU 4 -7.488 3.445 -4.478 22 2HD1 LEU 4 HD12 LEU 4 -7.159 2.404 -5.864 23 3HD1 LEU 4 HD13 LEU 4 -6.164 3.832 -5.577 24 1HD2 LEU 4 HD21 LEU 4 -4.378 3.719 -4.866 25 2HD2 LEU 4 HD22 LEU 4 -3.616 2.196 -4.405 26 3HD2 LEU 4 HD23 LEU 4 -4.255 3.274 -3.163 27 H SER 5 HN SER 5 -8.539 1.956 -1.113 28 HA SER 5 HA SER 5 -9.171 1.713 1.150 29 1HB SER 5 HB2 SER 5 -9.371 -0.759 -0.241 30 2HB SER 5 HB1 SER 5 -8.739 -1.126 1.360 31 HG SER 5 HG SER 5 -11.204 -0.149 0.584 32 H THR 6 HN THR 6 -8.288 1.081 3.317 33 HA THR 6 HA THR 6 -5.628 1.747 3.769 34 HB THR 6 HB THR 6 -6.094 0.035 5.802 35 HG1 THR 6 HG1 THR 6 -7.997 -0.639 4.430 36 1HG2 THR 6 HG21 THR 6 -6.552 1.951 6.913 37 2HG2 THR 6 HG22 THR 6 -7.970 2.282 5.920 38 3HG2 THR 6 HG23 THR 6 -6.367 2.750 5.352 39 H PHE 7 HN PHE 7 -6.949 -1.451 2.964 40 HA PHE 7 HA PHE 7 -4.676 -3.062 3.444 41 1HB PHE 7 HB2 PHE 7 -7.035 -3.086 1.593 42 2HB PHE 7 HB1 PHE 7 -5.770 -4.292 1.353 43 HD1 PHE 7 HD1 PHE 7 -5.671 -6.212 2.716 44 HD2 PHE 7 HD2 PHE 7 -8.012 -2.835 3.968 45 HE1 PHE 7 HE1 PHE 7 -6.575 -7.539 4.606 46 HE2 PHE 7 HE2 PHE 7 -8.917 -4.162 5.857 47 HZ PHE 7 HZ PHE 7 -8.199 -6.514 6.176 48 H PHE 8 HN PHE 8 -5.647 -1.787 0.228 49 HA PHE 8 HA PHE 8 -3.165 -2.336 -1.058 50 1HB PHE 8 HB2 PHE 8 -5.537 -1.658 -1.928 51 2HB PHE 8 HB1 PHE 8 -4.951 -0.006 -1.742 52 HD1 PHE 8 HD1 PHE 8 -5.107 -2.790 -3.926 53 HD2 PHE 8 HD2 PHE 8 -2.560 0.468 -2.763 54 HE1 PHE 8 HE1 PHE 8 -3.883 -2.980 -6.074 55 HE2 PHE 8 HE2 PHE 8 -1.336 0.277 -4.912 56 HZ PHE 8 HZ PHE 8 -1.998 -1.446 -6.567 57 H ARG 9 HN ARG 9 -4.350 0.628 0.548 58 HA ARG 9 HA ARG 9 -2.173 2.345 -0.015 59 1HB ARG 9 HB2 ARG 9 -4.387 2.872 1.071 60 2HB ARG 9 HB1 ARG 9 -3.778 2.133 2.552 61 1HG ARG 9 HG2 ARG 9 -2.339 3.866 2.991 62 2HG ARG 9 HG1 ARG 9 -2.042 4.189 1.283 63 1HD ARG 9 HD2 ARG 9 -4.737 4.770 2.530 64 2HD ARG 9 HD1 ARG 9 -3.420 5.959 2.568 65 HE ARG 9 HE ARG 9 -4.786 4.978 0.131 66 1HH1 ARG 9 HH21 ARG 9 -1.854 6.237 1.359 67 2HH1 ARG 9 HH22 ARG 9 -1.629 7.370 0.068 68 1HH2 ARG 9 HH11 ARG 9 -4.671 6.662 -1.438 69 2HH2 ARG 9 HH12 ARG 9 -3.224 7.611 -1.515 70 H LEU 10 HN LEU 10 -2.626 0.139 2.774 71 HA LEU 10 HA LEU 10 -0.099 0.685 4.016 72 1HB LEU 10 HB2 LEU 10 -2.359 -1.160 4.219 73 2HB LEU 10 HB1 LEU 10 -0.831 -1.938 4.634 74 HG LEU 10 HG LEU 10 -1.180 0.771 5.757 75 1HD1 LEU 10 HD11 LEU 10 -2.543 -0.833 7.598 76 2HD1 LEU 10 HD12 LEU 10 -3.261 -1.250 6.041 77 3HD1 LEU 10 HD13 LEU 10 -3.252 0.428 6.588 78 1HD2 LEU 10 HD21 LEU 10 0.611 -1.127 6.164 79 2HD2 LEU 10 HD22 LEU 10 -0.601 -1.752 7.281 80 3HD2 LEU 10 HD23 LEU 10 0.061 -0.134 7.514 81 H PHE 11 HN PHE 11 -1.123 -1.953 1.815 82 HA PHE 11 HA PHE 11 1.296 -3.384 1.659 83 1HB PHE 11 HB2 PHE 11 -1.182 -3.045 0.177 84 2HB PHE 11 HB1 PHE 11 0.169 -3.342 -0.918 85 HD1 PHE 11 HD1 PHE 11 1.392 -5.440 -0.879 86 HD2 PHE 11 HD2 PHE 11 -1.794 -4.692 1.903 87 HE1 PHE 11 HE1 PHE 11 1.366 -7.842 -0.263 88 HE2 PHE 11 HE2 PHE 11 -1.821 -7.094 2.518 89 HZ PHE 11 HZ PHE 11 -0.240 -8.669 1.435 90 H ASN 12 HN ASN 12 0.243 -0.609 -0.350 91 HA ASN 12 HA ASN 12 2.661 -0.447 -1.903 92 1HB ASN 12 HB2 ASN 12 0.189 0.601 -2.044 93 2HB ASN 12 HB1 ASN 12 1.015 1.969 -1.298 94 1HD2 ASN 12 HD21 ASN 12 3.619 1.271 -2.647 95 2HD2 ASN 12 HD22 ASN 12 3.424 1.740 -4.266 96 H ARG 13 HN ARG 13 1.512 1.632 0.793 97 HA ARG 13 HA ARG 13 3.865 3.161 1.127 98 1HB ARG 13 HB2 ARG 13 1.695 3.623 2.183 99 2HB ARG 13 HB1 ARG 13 1.839 2.156 3.154 100 1HG ARG 13 HG2 ARG 13 4.222 3.454 3.672 101 2HG ARG 13 HG1 ARG 13 3.074 4.789 3.557 102 1HD ARG 13 HD2 ARG 13 1.843 4.070 5.394 103 2HD ARG 13 HD1 ARG 13 2.294 2.369 5.157 104 HE ARG 13 HE ARG 13 4.679 3.199 5.791 105 1HH1 ARG 13 HH11 ARG 13 3.812 6.016 6.343 106 2HH1 ARG 13 HH12 ARG 13 3.568 5.990 8.058 107 1HH2 ARG 13 HH21 ARG 13 3.468 2.529 8.259 108 2HH2 ARG 13 HH22 ARG 13 3.374 4.016 9.143 109 H SER 14 HN SER 14 2.991 0.000 2.528 110 HA SER 14 HA SER 14 5.297 -0.259 4.227 111 1HB SER 14 HB2 SER 14 3.298 -1.590 4.532 112 2HB SER 14 HB1 SER 14 3.412 -2.227 2.895 113 HG SER 14 HG SER 14 4.262 -3.523 4.774 114 H PHE 15 HN PHE 15 4.604 -1.584 0.965 115 HA PHE 15 HA PHE 15 7.089 -2.887 0.543 116 1HB PHE 15 HB2 PHE 15 4.729 -2.085 -0.909 117 2HB PHE 15 HB1 PHE 15 6.156 -1.792 -1.903 118 HD1 PHE 15 HD1 PHE 15 6.825 -3.552 -3.261 119 HD2 PHE 15 HD2 PHE 15 4.944 -4.415 0.503 120 HE1 PHE 15 HE1 PHE 15 7.002 -5.982 -3.729 121 HE2 PHE 15 HE2 PHE 15 5.120 -6.844 0.035 122 HZ PHE 15 HZ PHE 15 6.149 -7.628 -2.081 123 H THR 16 HN THR 16 6.098 0.426 -0.409 124 HA THR 16 HA THR 16 8.628 1.204 -1.504 125 HB THR 16 HB THR 16 7.574 3.536 -0.868 126 HG1 THR 16 HG1 THR 16 5.166 2.921 -0.732 127 1HG2 THR 16 HG21 THR 16 5.599 2.629 -2.607 128 2HG2 THR 16 HG22 THR 16 6.951 1.533 -2.894 129 3HG2 THR 16 HG23 THR 16 7.173 3.274 -3.071 130 H GLN 17 HN GLN 17 7.222 1.669 1.754 131 HA GLN 17 HA GLN 17 9.334 3.165 2.909 132 1HB GLN 17 HB2 GLN 17 7.069 2.705 3.860 133 2HB GLN 17 HB1 GLN 17 7.567 1.041 4.168 134 1HG GLN 17 HG2 GLN 17 7.828 2.392 6.202 135 2HG GLN 17 HG1 GLN 17 9.406 1.874 5.609 136 1HE2 GLN 17 HE21 GLN 17 10.225 3.838 6.852 137 2HE2 GLN 17 HE22 GLN 17 10.154 5.355 6.097 138 H ALA 18 HN ALA 18 8.848 -0.387 2.888 139 HA ALA 18 HA ALA 18 11.293 -1.028 4.249 140 1HB ALA 18 HB1 ALA 18 10.409 -3.110 4.041 141 2HB ALA 18 HB2 ALA 18 10.318 -2.977 2.285 142 3HB ALA 18 HB3 ALA 18 9.027 -2.315 3.288 143 H LEU 19 HN LEU 19 10.474 -1.008 0.759 144 HA LEU 19 HA LEU 19 12.986 -1.807 -0.265 145 1HB LEU 19 HB2 LEU 19 10.734 -1.447 -1.420 146 2HB LEU 19 HB1 LEU 19 11.136 0.270 -1.463 147 HG LEU 19 HG LEU 19 13.076 -1.781 -2.512 148 1HD1 LEU 19 HD11 LEU 19 11.543 -2.350 -4.082 149 2HD1 LEU 19 HD12 LEU 19 11.816 -0.737 -4.743 150 3HD1 LEU 19 HD13 LEU 19 10.472 -1.021 -3.637 151 1HD2 LEU 19 HD21 LEU 19 14.075 0.343 -2.372 152 2HD2 LEU 19 HD22 LEU 19 12.582 1.178 -2.801 153 3HD2 LEU 19 HD23 LEU 19 13.491 0.305 -4.035 154 H GLY 20 HN GLY 20 11.838 1.423 0.701 155 1HA GLY 20 HA2 GLY 20 14.278 2.754 -0.178 156 2HA GLY 20 HA1 GLY 20 13.000 3.478 0.803 157 H LYS 21 HN LYS 21 13.751 0.617 2.305 158 HA LYS 21 HA LYS 21 16.059 1.726 3.832 159 1HB LYS 21 HB2 LYS 21 13.829 2.455 4.796 160 2HB LYS 21 HB1 LYS 21 13.483 0.751 5.100 161 1HG LYS 21 HG2 LYS 21 16.104 1.291 6.089 162 2HG LYS 21 HG1 LYS 21 15.030 2.551 6.698 163 1HD LYS 21 HD2 LYS 21 13.413 0.605 7.269 164 2HD LYS 21 HD1 LYS 21 14.825 -0.433 7.074 165 1HE LYS 21 HE2 LYS 21 16.022 0.740 8.822 166 2HE LYS 21 HE1 LYS 21 14.757 1.982 8.917 167 1HZ LYS 21 HZ1 LYS 21 14.600 -0.869 9.674 168 2HZ LYS 21 HZ2 LYS 21 13.195 0.001 9.278 169 3HZ LYS 21 HZ3 LYS 21 14.163 0.495 10.583 170 1HN NH2 22 1HN NH2 22 17.326 -0.114 3.023 171 2HN NH2 22 2HN NH2 22 17.005 -1.704 3.524 Start of MODEL 12 1 1H SER 1 1H SER 1 -13.398 -4.778 -5.165 2 2H SER 1 2H SER 1 -14.439 -5.041 -6.480 3 3H SER 1 3H SER 1 -13.178 -6.133 -6.161 4 HA SER 1 HA SER 1 -15.801 -5.916 -4.918 5 1HB SER 1 HB2 SER 1 -13.732 -7.933 -5.742 6 2HB SER 1 HB1 SER 1 -15.005 -8.416 -4.624 7 HG SER 1 HG SER 1 -16.522 -7.701 -6.167 8 H GLY 2 HN GLY 2 -15.730 -4.992 -2.867 9 1HA GLY 2 HA2 GLY 2 -15.384 -5.323 -0.505 10 2HA GLY 2 HA1 GLY 2 -13.982 -6.327 -0.877 11 H SER 3 HN SER 3 -14.607 -3.601 0.640 12 HA SER 3 HA SER 3 -13.217 -1.448 -0.432 13 1HB SER 3 HB2 SER 3 -12.490 -1.256 2.129 14 2HB SER 3 HB1 SER 3 -14.173 -1.069 1.647 15 HG SER 3 HG SER 3 -13.088 -2.898 3.248 16 H LEU 4 HN LEU 4 -11.138 -1.194 -1.145 17 HA LEU 4 HA LEU 4 -9.020 -2.995 -0.014 18 1HB LEU 4 HB2 LEU 4 -8.130 -3.138 -2.313 19 2HB LEU 4 HB1 LEU 4 -9.803 -3.693 -2.264 20 HG LEU 4 HG LEU 4 -9.735 -0.839 -2.685 21 1HD1 LEU 4 HD11 LEU 4 -7.529 -1.196 -3.665 22 2HD1 LEU 4 HD12 LEU 4 -8.694 -0.900 -4.955 23 3HD1 LEU 4 HD13 LEU 4 -8.143 -2.542 -4.626 24 1HD2 LEU 4 HD21 LEU 4 -11.672 -1.842 -3.438 25 2HD2 LEU 4 HD22 LEU 4 -10.835 -3.307 -3.955 26 3HD2 LEU 4 HD23 LEU 4 -10.763 -1.853 -4.950 27 H SER 5 HN SER 5 -10.067 0.155 -0.401 28 HA SER 5 HA SER 5 -7.875 1.696 -1.210 29 1HB SER 5 HB2 SER 5 -9.825 2.120 1.077 30 2HB SER 5 HB1 SER 5 -8.851 3.390 0.341 31 HG SER 5 HG SER 5 -9.914 2.389 -1.693 32 H THR 6 HN THR 6 -8.575 1.247 2.266 33 HA THR 6 HA THR 6 -6.104 1.951 3.317 34 HB THR 6 HB THR 6 -6.868 -0.103 4.947 35 HG1 THR 6 HG1 THR 6 -9.330 0.289 4.595 36 1HG2 THR 6 HG21 THR 6 -8.427 2.480 4.733 37 2HG2 THR 6 HG22 THR 6 -6.782 2.405 5.364 38 3HG2 THR 6 HG23 THR 6 -8.083 1.545 6.188 39 H PHE 7 HN PHE 7 -7.064 -1.326 2.227 40 HA PHE 7 HA PHE 7 -4.687 -2.715 2.821 41 1HB PHE 7 HB2 PHE 7 -7.098 -3.169 1.543 42 2HB PHE 7 HB1 PHE 7 -5.929 -3.369 0.236 43 HD1 PHE 7 HD1 PHE 7 -6.634 -4.418 3.757 44 HD2 PHE 7 HD2 PHE 7 -4.668 -5.350 0.053 45 HE1 PHE 7 HE1 PHE 7 -6.023 -6.652 4.643 46 HE2 PHE 7 HE2 PHE 7 -4.056 -7.583 0.939 47 HZ PHE 7 HZ PHE 7 -4.734 -8.234 3.235 48 H PHE 8 HN PHE 8 -5.531 -1.287 -0.364 49 HA PHE 8 HA PHE 8 -3.038 -1.640 -1.628 50 1HB PHE 8 HB2 PHE 8 -5.433 -0.667 -2.317 51 2HB PHE 8 HB1 PHE 8 -4.603 0.870 -2.067 52 HD1 PHE 8 HD1 PHE 8 -4.357 -2.388 -3.874 53 HD2 PHE 8 HD2 PHE 8 -3.086 1.711 -3.675 54 HE1 PHE 8 HE1 PHE 8 -3.246 -2.625 -6.078 55 HE2 PHE 8 HE2 PHE 8 -1.974 1.473 -5.879 56 HZ PHE 8 HZ PHE 8 -2.055 -0.695 -7.081 57 H ARG 9 HN ARG 9 -4.182 1.226 0.198 58 HA ARG 9 HA ARG 9 -1.862 2.821 -0.020 59 1HB ARG 9 HB2 ARG 9 -4.298 3.022 1.129 60 2HB ARG 9 HB1 ARG 9 -3.328 2.733 2.573 61 1HG ARG 9 HG2 ARG 9 -2.473 4.785 0.540 62 2HG ARG 9 HG1 ARG 9 -3.651 5.191 1.788 63 1HD ARG 9 HD2 ARG 9 -2.049 4.502 3.541 64 2HD ARG 9 HD1 ARG 9 -0.859 4.094 2.288 65 HE ARG 9 HE ARG 9 -0.385 6.402 2.232 66 1HH1 ARG 9 HH11 ARG 9 -2.970 6.271 4.260 67 2HH1 ARG 9 HH12 ARG 9 -3.719 7.744 3.741 68 1HH2 ARG 9 HH21 ARG 9 -1.660 8.125 0.977 69 2HH2 ARG 9 HH22 ARG 9 -2.977 8.794 1.882 70 H LEU 10 HN LEU 10 -2.704 0.582 2.659 71 HA LEU 10 HA LEU 10 -0.297 0.801 4.124 72 1HB LEU 10 HB2 LEU 10 -2.670 -0.760 4.057 73 2HB LEU 10 HB1 LEU 10 -1.320 -1.893 4.141 74 HG LEU 10 HG LEU 10 -2.156 -1.122 6.392 75 1HD1 LEU 10 HD11 LEU 10 -0.060 -1.733 6.943 76 2HD1 LEU 10 HD12 LEU 10 0.440 -0.059 6.707 77 3HD1 LEU 10 HD13 LEU 10 0.550 -1.208 5.373 78 1HD2 LEU 10 HD21 LEU 10 -2.425 1.301 5.340 79 2HD2 LEU 10 HD22 LEU 10 -0.756 1.481 5.879 80 3HD2 LEU 10 HD23 LEU 10 -2.025 1.105 7.046 81 H PHE 11 HN PHE 11 -1.139 -1.605 1.600 82 HA PHE 11 HA PHE 11 1.286 -3.039 1.542 83 1HB PHE 11 HB2 PHE 11 -1.089 -3.039 0.207 84 2HB PHE 11 HB1 PHE 11 -0.018 -2.423 -1.050 85 HD1 PHE 11 HD1 PHE 11 0.480 -4.909 1.716 86 HD2 PHE 11 HD2 PHE 11 0.545 -4.154 -2.512 87 HE1 PHE 11 HE1 PHE 11 1.338 -7.202 1.320 88 HE2 PHE 11 HE2 PHE 11 1.404 -6.448 -2.908 89 HZ PHE 11 HZ PHE 11 1.800 -7.971 -0.992 90 H ASN 12 HN ASN 12 0.391 -0.160 -0.400 91 HA ASN 12 HA ASN 12 2.859 0.123 -1.788 92 1HB ASN 12 HB2 ASN 12 0.778 1.279 -2.367 93 2HB ASN 12 HB1 ASN 12 0.817 2.161 -0.839 94 1HD2 ASN 12 HD21 ASN 12 1.801 4.186 -0.934 95 2HD2 ASN 12 HD22 ASN 12 2.897 4.680 -2.132 96 H ARG 13 HN ARG 13 1.757 1.762 1.209 97 HA ARG 13 HA ARG 13 4.084 3.244 1.774 98 1HB ARG 13 HB2 ARG 13 1.751 3.118 2.899 99 2HB ARG 13 HB1 ARG 13 2.438 1.809 3.861 100 1HG ARG 13 HG2 ARG 13 3.562 4.618 3.653 101 2HG ARG 13 HG1 ARG 13 2.674 3.966 5.030 102 1HD ARG 13 HD2 ARG 13 4.449 2.153 5.192 103 2HD ARG 13 HD1 ARG 13 5.387 3.079 4.003 104 HE ARG 13 HE ARG 13 5.513 4.917 5.598 105 1HH1 ARG 13 HH11 ARG 13 6.328 2.477 7.228 106 2HH1 ARG 13 HH12 ARG 13 5.404 2.715 8.674 107 1HH2 ARG 13 HH21 ARG 13 3.284 5.061 7.250 108 2HH2 ARG 13 HH22 ARG 13 3.681 4.178 8.687 109 H SER 14 HN SER 14 3.267 -0.021 3.027 110 HA SER 14 HA SER 14 5.715 -0.532 4.357 111 1HB SER 14 HB2 SER 14 3.340 -1.791 3.996 112 2HB SER 14 HB1 SER 14 4.355 -2.760 2.931 113 HG SER 14 HG SER 14 4.207 -2.786 5.597 114 H PHE 15 HN PHE 15 4.768 -1.256 0.984 115 HA PHE 15 HA PHE 15 7.124 -2.599 0.164 116 1HB PHE 15 HB2 PHE 15 4.761 -1.388 -0.955 117 2HB PHE 15 HB1 PHE 15 6.152 -0.978 -1.959 118 HD1 PHE 15 HD1 PHE 15 3.663 -3.030 -2.283 119 HD2 PHE 15 HD2 PHE 15 7.860 -3.395 -1.445 120 HE1 PHE 15 HE1 PHE 15 3.654 -5.321 -3.232 121 HE2 PHE 15 HE2 PHE 15 7.851 -5.686 -2.395 122 HZ PHE 15 HZ PHE 15 5.747 -6.649 -3.289 123 H THR 16 HN THR 16 6.339 0.892 -0.121 124 HA THR 16 HA THR 16 8.846 1.719 -1.195 125 HB THR 16 HB THR 16 6.772 3.096 0.539 126 HG1 THR 16 HG1 THR 16 5.960 3.745 -1.391 127 1HG2 THR 16 HG21 THR 16 9.371 3.989 -0.087 128 2HG2 THR 16 HG22 THR 16 8.040 4.952 0.558 129 3HG2 THR 16 HG23 THR 16 8.291 4.848 -1.186 130 H GLN 17 HN GLN 17 7.706 1.681 2.204 131 HA GLN 17 HA GLN 17 10.133 2.645 3.371 132 1HB GLN 17 HB2 GLN 17 7.556 1.771 4.138 133 2HB GLN 17 HB1 GLN 17 8.694 0.775 5.046 134 1HG GLN 17 HG2 GLN 17 9.317 3.678 4.890 135 2HG GLN 17 HG1 GLN 17 7.925 3.226 5.876 136 1HE2 GLN 17 HE21 GLN 17 8.322 2.131 7.870 137 2HE2 GLN 17 HE22 GLN 17 9.882 1.794 8.448 138 H ALA 18 HN ALA 18 8.947 -0.689 2.837 139 HA ALA 18 HA ALA 18 11.182 -2.040 4.007 140 1HB ALA 18 HB1 ALA 18 10.191 -3.955 3.008 141 2HB ALA 18 HB2 ALA 18 9.539 -3.016 1.665 142 3HB ALA 18 HB3 ALA 18 8.836 -2.857 3.276 143 H LEU 19 HN LEU 19 10.456 -1.678 0.509 144 HA LEU 19 HA LEU 19 12.973 -2.512 -0.464 145 1HB LEU 19 HB2 LEU 19 10.590 -1.068 -1.380 146 2HB LEU 19 HB1 LEU 19 12.052 -0.588 -2.243 147 HG LEU 19 HG LEU 19 12.545 -3.022 -2.627 148 1HD1 LEU 19 HD11 LEU 19 9.722 -3.729 -2.069 149 2HD1 LEU 19 HD12 LEU 19 10.731 -3.467 -0.647 150 3HD1 LEU 19 HD13 LEU 19 11.187 -4.682 -1.841 151 1HD2 LEU 19 HD21 LEU 19 10.911 -3.275 -4.422 152 2HD2 LEU 19 HD22 LEU 19 11.382 -1.579 -4.313 153 3HD2 LEU 19 HD23 LEU 19 9.836 -2.109 -3.649 154 H GLY 20 HN GLY 20 11.986 0.568 0.909 155 1HA GLY 20 HA2 GLY 20 13.344 2.355 1.639 156 2HA GLY 20 HA1 GLY 20 14.759 1.428 1.128 157 H LYS 21 HN LYS 21 12.706 1.409 -1.477 158 HA LYS 21 HA LYS 21 14.299 3.484 -2.849 159 1HB LYS 21 HB2 LYS 21 13.186 1.025 -3.491 160 2HB LYS 21 HB1 LYS 21 12.106 2.169 -4.291 161 1HG LYS 21 HG2 LYS 21 13.757 2.962 -5.696 162 2HG LYS 21 HG1 LYS 21 15.047 2.629 -4.540 163 1HD LYS 21 HD2 LYS 21 14.573 0.148 -4.940 164 2HD LYS 21 HD1 LYS 21 13.594 0.661 -6.315 165 1HE LYS 21 HE2 LYS 21 16.294 1.884 -6.177 166 2HE LYS 21 HE1 LYS 21 16.258 0.142 -6.516 167 1HZ LYS 21 HZ1 LYS 21 14.964 2.341 -8.004 168 2HZ LYS 21 HZ2 LYS 21 14.345 0.761 -8.092 169 3HZ LYS 21 HZ3 LYS 21 15.935 1.084 -8.599 170 1HN NH2 22 1HN NH2 22 11.305 3.379 -1.165 171 2HN NH2 22 2HN NH2 22 10.599 4.766 -1.843 Start of MODEL 13 1 1H SER 1 1H SER 1 -19.663 -3.495 1.672 2 2H SER 1 2H SER 1 -18.470 -4.460 0.945 3 3H SER 1 3H SER 1 -19.970 -4.239 0.180 4 HA SER 1 HA SER 1 -19.477 -2.118 -0.527 5 1HB SER 1 HB2 SER 1 -17.406 -2.080 1.689 6 2HB SER 1 HB1 SER 1 -17.947 -0.699 0.738 7 HG SER 1 HG SER 1 -20.129 -1.397 1.587 8 H GLY 2 HN GLY 2 -16.553 -1.303 -0.425 9 1HA GLY 2 HA2 GLY 2 -14.906 -3.405 -1.425 10 2HA GLY 2 HA1 GLY 2 -15.664 -2.591 -2.795 11 H SER 3 HN SER 3 -14.145 -1.570 0.291 12 HA SER 3 HA SER 3 -12.823 0.651 -1.215 13 1HB SER 3 HB2 SER 3 -12.441 1.146 1.442 14 2HB SER 3 HB1 SER 3 -13.859 1.683 0.545 15 HG SER 3 HG SER 3 -13.537 -0.596 2.190 16 H LEU 4 HN LEU 4 -11.228 -1.061 -2.007 17 HA LEU 4 HA LEU 4 -9.458 -2.380 -0.131 18 1HB LEU 4 HB2 LEU 4 -9.264 -1.690 -3.081 19 2HB LEU 4 HB1 LEU 4 -8.157 -2.779 -2.243 20 HG LEU 4 HG LEU 4 -11.157 -3.148 -2.496 21 1HD1 LEU 4 HD11 LEU 4 -10.302 -5.257 -3.728 22 2HD1 LEU 4 HD12 LEU 4 -8.762 -4.404 -3.837 23 3HD1 LEU 4 HD13 LEU 4 -10.204 -3.718 -4.586 24 1HD2 LEU 4 HD21 LEU 4 -9.219 -4.197 -0.628 25 2HD2 LEU 4 HD22 LEU 4 -9.848 -5.504 -1.633 26 3HD2 LEU 4 HD23 LEU 4 -10.955 -4.496 -0.700 27 H SER 5 HN SER 5 -9.784 0.861 -0.912 28 HA SER 5 HA SER 5 -7.272 1.951 -1.362 29 1HB SER 5 HB2 SER 5 -9.748 2.837 -0.614 30 2HB SER 5 HB1 SER 5 -8.822 3.179 0.844 31 HG SER 5 HG SER 5 -7.676 3.830 -1.613 32 H THR 6 HN THR 6 -8.586 1.236 1.903 33 HA THR 6 HA THR 6 -6.337 1.814 3.454 34 HB THR 6 HB THR 6 -7.776 -0.684 4.124 35 HG1 THR 6 HG1 THR 6 -9.741 0.114 3.970 36 1HG2 THR 6 HG21 THR 6 -6.672 0.389 5.908 37 2HG2 THR 6 HG22 THR 6 -8.357 0.864 6.119 38 3HG2 THR 6 HG23 THR 6 -7.207 1.989 5.395 39 H PHE 7 HN PHE 7 -7.144 -1.491 2.308 40 HA PHE 7 HA PHE 7 -4.720 -2.748 2.966 41 1HB PHE 7 HB2 PHE 7 -7.047 -3.169 1.275 42 2HB PHE 7 HB1 PHE 7 -5.599 -3.850 0.532 43 HD1 PHE 7 HD1 PHE 7 -5.219 -6.085 1.032 44 HD2 PHE 7 HD2 PHE 7 -6.984 -3.546 4.014 45 HE1 PHE 7 HE1 PHE 7 -5.304 -7.996 2.610 46 HE2 PHE 7 HE2 PHE 7 -7.068 -5.458 5.592 47 HZ PHE 7 HZ PHE 7 -6.228 -7.682 4.890 48 H PHE 8 HN PHE 8 -5.575 -1.441 -0.269 49 HA PHE 8 HA PHE 8 -3.130 -1.770 -1.573 50 1HB PHE 8 HB2 PHE 8 -5.174 -0.942 -2.622 51 2HB PHE 8 HB1 PHE 8 -5.109 0.531 -1.655 52 HD1 PHE 8 HD1 PHE 8 -3.523 2.303 -2.152 53 HD2 PHE 8 HD2 PHE 8 -3.553 -1.335 -4.435 54 HE1 PHE 8 HE1 PHE 8 -2.068 3.362 -3.858 55 HE2 PHE 8 HE2 PHE 8 -2.098 -0.277 -6.141 56 HZ PHE 8 HZ PHE 8 -1.354 2.072 -5.853 57 H ARG 9 HN ARG 9 -4.116 1.224 0.152 58 HA ARG 9 HA ARG 9 -1.699 2.630 0.016 59 1HB ARG 9 HB2 ARG 9 -4.143 2.958 1.157 60 2HB ARG 9 HB1 ARG 9 -3.165 2.678 2.599 61 1HG ARG 9 HG2 ARG 9 -2.572 4.851 2.480 62 2HG ARG 9 HG1 ARG 9 -1.624 4.421 1.057 63 1HD ARG 9 HD2 ARG 9 -4.328 4.652 0.197 64 2HD ARG 9 HD1 ARG 9 -3.962 6.084 1.180 65 HE ARG 9 HE ARG 9 -1.711 5.916 -0.317 66 1HH1 ARG 9 HH11 ARG 9 -4.545 7.366 -0.861 67 2HH1 ARG 9 HH12 ARG 9 -4.573 7.196 -2.585 68 1HH2 ARG 9 HH21 ARG 9 -1.949 4.933 -2.673 69 2HH2 ARG 9 HH22 ARG 9 -3.104 5.819 -3.610 70 H LEU 10 HN LEU 10 -2.717 0.440 2.673 71 HA LEU 10 HA LEU 10 -0.387 0.516 4.236 72 1HB LEU 10 HB2 LEU 10 -2.681 -1.252 3.755 73 2HB LEU 10 HB1 LEU 10 -1.261 -2.115 4.344 74 HG LEU 10 HG LEU 10 -2.736 -1.264 6.184 75 1HD1 LEU 10 HD11 LEU 10 -0.915 -0.908 7.522 76 2HD1 LEU 10 HD12 LEU 10 -0.260 0.344 6.468 77 3HD1 LEU 10 HD13 LEU 10 -0.025 -1.357 6.068 78 1HD2 LEU 10 HD21 LEU 10 -3.491 0.860 6.143 79 2HD2 LEU 10 HD22 LEU 10 -2.696 1.073 4.583 80 3HD2 LEU 10 HD23 LEU 10 -1.841 1.478 6.072 81 H PHE 11 HN PHE 11 -1.122 -1.920 1.699 82 HA PHE 11 HA PHE 11 1.361 -3.248 1.679 83 1HB PHE 11 HB2 PHE 11 -0.965 -3.505 0.394 84 2HB PHE 11 HB1 PHE 11 -0.077 -2.677 -0.884 85 HD1 PHE 11 HD1 PHE 11 -1.118 -5.632 -0.792 86 HD2 PHE 11 HD2 PHE 11 2.688 -3.805 0.002 87 HE1 PHE 11 HE1 PHE 11 0.023 -7.755 -1.378 88 HE2 PHE 11 HE2 PHE 11 3.829 -5.928 -0.584 89 HZ PHE 11 HZ PHE 11 2.497 -7.903 -1.273 90 H ASN 12 HN ASN 12 0.356 -0.452 -0.331 91 HA ASN 12 HA ASN 12 2.796 -0.090 -1.734 92 1HB ASN 12 HB2 ASN 12 0.300 1.278 -1.223 93 2HB ASN 12 HB1 ASN 12 1.630 2.436 -1.226 94 1HD2 ASN 12 HD21 ASN 12 0.110 -0.139 -3.200 95 2HD2 ASN 12 HD22 ASN 12 0.707 0.429 -4.684 96 H ARG 13 HN ARG 13 1.707 1.364 1.351 97 HA ARG 13 HA ARG 13 3.996 2.980 1.843 98 1HB ARG 13 HB2 ARG 13 1.592 2.495 3.015 99 2HB ARG 13 HB1 ARG 13 2.658 1.638 4.130 100 1HG ARG 13 HG2 ARG 13 2.778 3.744 5.062 101 2HG ARG 13 HG1 ARG 13 4.089 3.883 3.890 102 1HD ARG 13 HD2 ARG 13 1.237 4.875 3.574 103 2HD ARG 13 HD1 ARG 13 2.725 5.843 3.587 104 HE ARG 13 HE ARG 13 1.944 3.953 1.411 105 1HH1 ARG 13 HH11 ARG 13 4.809 5.106 2.519 106 2HH1 ARG 13 HH12 ARG 13 5.211 6.054 1.126 107 1HH2 ARG 13 HH21 ARG 13 2.070 5.752 -0.313 108 2HH2 ARG 13 HH22 ARG 13 3.661 6.419 -0.477 109 H SER 14 HN SER 14 3.279 -0.344 2.985 110 HA SER 14 HA SER 14 5.720 -0.790 4.372 111 1HB SER 14 HB2 SER 14 3.380 -2.204 3.526 112 2HB SER 14 HB1 SER 14 4.784 -3.189 3.124 113 HG SER 14 HG SER 14 5.474 -2.638 5.364 114 H PHE 15 HN PHE 15 4.839 -1.658 1.006 115 HA PHE 15 HA PHE 15 7.321 -2.788 0.233 116 1HB PHE 15 HB2 PHE 15 4.861 -2.278 -0.879 117 2HB PHE 15 HB1 PHE 15 5.891 -1.162 -1.776 118 HD1 PHE 15 HD1 PHE 15 6.135 -4.675 -0.455 119 HD2 PHE 15 HD2 PHE 15 6.773 -1.999 -3.755 120 HE1 PHE 15 HE1 PHE 15 6.994 -6.559 -1.818 121 HE2 PHE 15 HE2 PHE 15 7.633 -3.883 -5.117 122 HZ PHE 15 HZ PHE 15 7.743 -6.165 -4.149 123 H THR 16 HN THR 16 6.196 0.603 0.002 124 HA THR 16 HA THR 16 8.581 1.644 -1.210 125 HB THR 16 HB THR 16 6.393 2.844 0.513 126 HG1 THR 16 HG1 THR 16 6.806 2.333 -2.188 127 1HG2 THR 16 HG21 THR 16 7.468 4.858 -1.074 128 2HG2 THR 16 HG22 THR 16 8.886 3.993 -0.479 129 3HG2 THR 16 HG23 THR 16 7.719 4.663 0.661 130 H GLN 17 HN GLN 17 7.479 1.813 2.204 131 HA GLN 17 HA GLN 17 9.768 2.995 3.333 132 1HB GLN 17 HB2 GLN 17 7.514 2.418 4.367 133 2HB GLN 17 HB1 GLN 17 8.111 0.769 4.552 134 1HG GLN 17 HG2 GLN 17 10.189 2.143 5.624 135 2HG GLN 17 HG1 GLN 17 8.858 3.225 6.036 136 1HE2 GLN 17 HE21 GLN 17 7.199 2.422 7.500 137 2HE2 GLN 17 HE22 GLN 17 7.415 0.997 8.395 138 H ALA 18 HN ALA 18 9.137 -0.465 2.698 139 HA ALA 18 HA ALA 18 11.596 -1.435 3.841 140 1HB ALA 18 HB1 ALA 18 9.799 -2.952 3.536 141 2HB ALA 18 HB2 ALA 18 10.960 -3.417 2.294 142 3HB ALA 18 HB3 ALA 18 9.550 -2.449 1.864 143 H LEU 19 HN LEU 19 10.641 -0.868 0.429 144 HA LEU 19 HA LEU 19 13.078 -1.520 -0.821 145 1HB LEU 19 HB2 LEU 19 10.892 0.493 -1.377 146 2HB LEU 19 HB1 LEU 19 12.227 0.245 -2.505 147 HG LEU 19 HG LEU 19 10.797 -2.176 -1.503 148 1HD1 LEU 19 HD11 LEU 19 9.170 -0.221 -2.286 149 2HD1 LEU 19 HD12 LEU 19 8.888 -1.891 -2.784 150 3HD1 LEU 19 HD13 LEU 19 9.672 -0.761 -3.888 151 1HD2 LEU 19 HD21 LEU 19 11.962 -3.099 -3.199 152 2HD2 LEU 19 HD22 LEU 19 12.727 -1.533 -3.463 153 3HD2 LEU 19 HD23 LEU 19 11.264 -1.960 -4.350 154 H GLY 20 HN GLY 20 12.090 1.544 0.709 155 1HA GLY 20 HA2 GLY 20 13.818 2.878 1.873 156 2HA GLY 20 HA1 GLY 20 14.958 2.384 0.619 157 H LYS 21 HN LYS 21 12.096 2.939 -0.963 158 HA LYS 21 HA LYS 21 12.633 5.866 -1.302 159 1HB LYS 21 HB2 LYS 21 13.571 3.988 -3.007 160 2HB LYS 21 HB1 LYS 21 11.963 4.222 -3.692 161 1HG LYS 21 HG2 LYS 21 13.892 6.479 -3.080 162 2HG LYS 21 HG1 LYS 21 13.693 5.752 -4.674 163 1HD LYS 21 HD2 LYS 21 11.428 6.483 -4.837 164 2HD LYS 21 HD1 LYS 21 11.364 6.897 -3.123 165 1HE LYS 21 HE2 LYS 21 12.075 8.992 -3.600 166 2HE LYS 21 HE1 LYS 21 13.548 8.330 -4.338 167 1HZ LYS 21 HZ1 LYS 21 10.957 8.221 -5.750 168 2HZ LYS 21 HZ2 LYS 21 12.524 8.113 -6.396 169 3HZ LYS 21 HZ3 LYS 21 11.931 9.606 -5.843 170 1HN NH2 22 1HN NH2 22 10.647 6.824 -0.751 171 2HN NH2 22 2HN NH2 22 9.121 6.234 -1.203 Start of MODEL 14 1 1H SER 1 1H SER 1 -10.336 2.687 -9.107 2 2H SER 1 2H SER 1 -8.896 1.838 -9.410 3 3H SER 1 3H SER 1 -8.977 2.951 -8.128 4 HA SER 1 HA SER 1 -10.099 0.233 -8.299 5 1HB SER 1 HB2 SER 1 -8.638 1.925 -6.247 6 2HB SER 1 HB1 SER 1 -9.092 0.240 -6.013 7 HG SER 1 HG SER 1 -7.614 1.050 -8.272 8 H GLY 2 HN GLY 2 -10.308 2.921 -5.947 9 1HA GLY 2 HA2 GLY 2 -12.211 3.896 -4.945 10 2HA GLY 2 HA1 GLY 2 -13.214 3.035 -6.114 11 H SER 3 HN SER 3 -10.918 1.158 -4.344 12 HA SER 3 HA SER 3 -12.693 0.483 -2.121 13 1HB SER 3 HB2 SER 3 -12.676 -1.984 -3.243 14 2HB SER 3 HB1 SER 3 -13.971 -0.821 -3.515 15 HG SER 3 HG SER 3 -13.076 -1.697 -5.463 16 H LEU 4 HN LEU 4 -11.702 -1.217 -0.748 17 HA LEU 4 HA LEU 4 -9.829 -2.210 0.299 18 1HB LEU 4 HB2 LEU 4 -9.956 -2.978 -2.360 19 2HB LEU 4 HB1 LEU 4 -8.294 -2.407 -2.200 20 HG LEU 4 HG LEU 4 -8.844 -3.916 0.131 21 1HD1 LEU 4 HD11 LEU 4 -9.181 -5.995 -1.800 22 2HD1 LEU 4 HD12 LEU 4 -10.455 -4.803 -2.059 23 3HD1 LEU 4 HD13 LEU 4 -10.259 -5.555 -0.476 24 1HD2 LEU 4 HD21 LEU 4 -6.707 -3.600 -1.251 25 2HD2 LEU 4 HD22 LEU 4 -7.334 -4.859 -2.316 26 3HD2 LEU 4 HD23 LEU 4 -6.993 -5.223 -0.625 27 H SER 5 HN SER 5 -9.872 0.804 -0.684 28 HA SER 5 HA SER 5 -7.364 1.823 -1.267 29 1HB SER 5 HB2 SER 5 -8.968 3.455 -1.003 30 2HB SER 5 HB1 SER 5 -9.701 2.650 0.382 31 HG SER 5 HG SER 5 -7.240 4.073 0.335 32 H THR 6 HN THR 6 -8.531 1.177 2.068 33 HA THR 6 HA THR 6 -6.221 1.749 3.518 34 HB THR 6 HB THR 6 -8.181 -0.548 3.840 35 HG1 THR 6 HG1 THR 6 -9.486 1.012 4.282 36 1HG2 THR 6 HG21 THR 6 -7.128 -1.080 5.753 37 2HG2 THR 6 HG22 THR 6 -7.159 0.601 6.288 38 3HG2 THR 6 HG23 THR 6 -5.830 0.018 5.285 39 H PHE 7 HN PHE 7 -7.054 -1.596 2.528 40 HA PHE 7 HA PHE 7 -4.616 -2.838 3.041 41 1HB PHE 7 HB2 PHE 7 -6.607 -3.203 0.782 42 2HB PHE 7 HB1 PHE 7 -5.339 -4.371 1.159 43 HD1 PHE 7 HD1 PHE 7 -8.561 -2.983 2.170 44 HD2 PHE 7 HD2 PHE 7 -5.324 -5.546 3.356 45 HE1 PHE 7 HE1 PHE 7 -9.987 -3.962 3.946 46 HE2 PHE 7 HE2 PHE 7 -6.751 -6.526 5.131 47 HZ PHE 7 HZ PHE 7 -9.083 -5.734 5.427 48 H PHE 8 HN PHE 8 -5.561 -1.491 -0.151 49 HA PHE 8 HA PHE 8 -3.118 -1.806 -1.494 50 1HB PHE 8 HB2 PHE 8 -5.305 -1.032 -2.423 51 2HB PHE 8 HB1 PHE 8 -5.059 0.526 -1.636 52 HD1 PHE 8 HD1 PHE 8 -2.981 1.883 -2.235 53 HD2 PHE 8 HD2 PHE 8 -4.299 -1.511 -4.514 54 HE1 PHE 8 HE1 PHE 8 -1.609 2.641 -4.158 55 HE2 PHE 8 HE2 PHE 8 -2.928 -0.753 -6.436 56 HZ PHE 8 HZ PHE 8 -1.583 1.323 -6.258 57 H ARG 9 HN ARG 9 -4.186 1.137 0.267 58 HA ARG 9 HA ARG 9 -1.867 2.683 0.044 59 1HB ARG 9 HB2 ARG 9 -3.895 2.289 2.254 60 2HB ARG 9 HB1 ARG 9 -2.653 3.539 2.343 61 1HG ARG 9 HG2 ARG 9 -3.912 3.590 -0.256 62 2HG ARG 9 HG1 ARG 9 -5.137 3.699 1.010 63 1HD ARG 9 HD2 ARG 9 -4.255 5.693 1.874 64 2HD ARG 9 HD1 ARG 9 -2.646 5.390 1.189 65 HE ARG 9 HE ARG 9 -4.214 5.515 -1.055 66 1HH1 ARG 9 HH21 ARG 9 -5.778 7.227 1.127 67 2HH1 ARG 9 HH22 ARG 9 -5.351 8.812 0.573 68 1HH2 ARG 9 HH11 ARG 9 -2.829 7.687 -1.526 69 2HH2 ARG 9 HH12 ARG 9 -3.681 9.072 -0.929 70 H LEU 10 HN LEU 10 -2.613 0.436 2.746 71 HA LEU 10 HA LEU 10 -0.145 0.621 4.105 72 1HB LEU 10 HB2 LEU 10 -2.518 -0.996 4.056 73 2HB LEU 10 HB1 LEU 10 -1.117 -2.058 4.214 74 HG LEU 10 HG LEU 10 -0.328 -0.842 6.149 75 1HD1 LEU 10 HD11 LEU 10 -0.789 1.420 5.707 76 2HD1 LEU 10 HD12 LEU 10 -1.921 1.039 7.005 77 3HD1 LEU 10 HD13 LEU 10 -2.483 1.099 5.334 78 1HD2 LEU 10 HD21 LEU 10 -2.591 -2.370 6.125 79 2HD2 LEU 10 HD22 LEU 10 -3.204 -0.887 6.859 80 3HD2 LEU 10 HD23 LEU 10 -1.849 -1.743 7.596 81 H PHE 11 HN PHE 11 -1.096 -1.615 1.478 82 HA PHE 11 HA PHE 11 1.295 -3.136 1.346 83 1HB PHE 11 HB2 PHE 11 -1.030 -3.324 0.171 84 2HB PHE 11 HB1 PHE 11 -0.307 -2.293 -1.064 85 HD1 PHE 11 HD1 PHE 11 0.956 -3.261 -2.779 86 HD2 PHE 11 HD2 PHE 11 0.387 -5.413 0.895 87 HE1 PHE 11 HE1 PHE 11 2.104 -5.231 -3.755 88 HE2 PHE 11 HE2 PHE 11 1.536 -7.383 -0.081 89 HZ PHE 11 HZ PHE 11 2.394 -7.292 -2.406 90 H ASN 12 HN ASN 12 0.393 -0.316 -0.688 91 HA ASN 12 HA ASN 12 2.872 -0.010 -2.017 92 1HB ASN 12 HB2 ASN 12 0.392 1.247 -1.863 93 2HB ASN 12 HB1 ASN 12 1.519 2.493 -1.326 94 1HD2 ASN 12 HD21 ASN 12 2.078 3.767 -3.094 95 2HD2 ASN 12 HD22 ASN 12 2.422 3.180 -4.650 96 H ARG 13 HN ARG 13 1.729 1.734 0.906 97 HA ARG 13 HA ARG 13 4.107 3.164 1.456 98 1HB ARG 13 HB2 ARG 13 1.945 3.556 2.536 99 2HB ARG 13 HB1 ARG 13 2.012 1.965 3.296 100 1HG ARG 13 HG2 ARG 13 3.967 2.607 4.589 101 2HG ARG 13 HG1 ARG 13 4.056 4.157 3.751 102 1HD ARG 13 HD2 ARG 13 2.873 4.855 5.613 103 2HD ARG 13 HD1 ARG 13 1.497 4.274 4.654 104 HE ARG 13 HE ARG 13 2.244 1.973 5.851 105 1HH1 ARG 13 HH21 ARG 13 1.089 4.994 6.893 106 2HH1 ARG 13 HH22 ARG 13 1.066 4.581 8.574 107 1HH2 ARG 13 HH11 ARG 13 2.588 1.500 8.111 108 2HH2 ARG 13 HH12 ARG 13 1.915 2.603 9.264 109 H SER 14 HN SER 14 3.094 -0.056 2.654 110 HA SER 14 HA SER 14 5.342 -0.622 4.279 111 1HB SER 14 HB2 SER 14 3.307 -1.960 4.243 112 2HB SER 14 HB1 SER 14 3.572 -2.384 2.554 113 HG SER 14 HG SER 14 4.566 -4.035 3.421 114 H PHE 15 HN PHE 15 4.819 -1.551 0.850 115 HA PHE 15 HA PHE 15 7.357 -2.717 0.380 116 1HB PHE 15 HB2 PHE 15 5.464 -2.905 -1.139 117 2HB PHE 15 HB1 PHE 15 5.461 -1.162 -1.407 118 HD1 PHE 15 HD1 PHE 15 8.369 -3.497 -1.198 119 HD2 PHE 15 HD2 PHE 15 6.004 -0.922 -3.694 120 HE1 PHE 15 HE1 PHE 15 10.008 -3.775 -3.038 121 HE2 PHE 15 HE2 PHE 15 7.643 -1.200 -5.534 122 HZ PHE 15 HZ PHE 15 9.645 -2.627 -5.206 123 H THR 16 HN THR 16 6.305 0.659 -0.226 124 HA THR 16 HA THR 16 8.776 1.679 -1.166 125 HB THR 16 HB THR 16 6.549 2.938 0.468 126 HG1 THR 16 HG1 THR 16 7.051 3.043 -2.313 127 1HG2 THR 16 HG21 THR 16 8.099 4.613 -1.391 128 2HG2 THR 16 HG22 THR 16 9.019 4.042 0.001 129 3HG2 THR 16 HG23 THR 16 7.538 4.967 0.244 130 H GLN 17 HN GLN 17 7.517 1.496 2.179 131 HA GLN 17 HA GLN 17 9.715 2.774 3.472 132 1HB GLN 17 HB2 GLN 17 7.279 1.709 4.148 133 2HB GLN 17 HB1 GLN 17 8.382 0.540 4.874 134 1HG GLN 17 HG2 GLN 17 9.633 2.689 5.736 135 2HG GLN 17 HG1 GLN 17 8.073 3.467 5.462 136 1HE2 GLN 17 HE21 GLN 17 6.146 1.949 6.377 137 2HE2 GLN 17 HE22 GLN 17 6.414 1.359 7.946 138 H ALA 18 HN ALA 18 9.074 -0.722 2.976 139 HA ALA 18 HA ALA 18 11.493 -1.689 4.124 140 1HB ALA 18 HB1 ALA 18 10.803 -3.734 3.179 141 2HB ALA 18 HB2 ALA 18 10.115 -2.948 1.759 142 3HB ALA 18 HB3 ALA 18 9.289 -2.840 3.313 143 H LEU 19 HN LEU 19 10.728 -0.711 0.780 144 HA LEU 19 HA LEU 19 13.163 -1.496 -0.459 145 1HB LEU 19 HB2 LEU 19 11.119 -0.778 -1.628 146 2HB LEU 19 HB1 LEU 19 11.310 0.852 -0.982 147 HG LEU 19 HG LEU 19 13.610 -0.336 -2.476 148 1HD1 LEU 19 HD11 LEU 19 11.277 0.972 -3.892 149 2HD1 LEU 19 HD12 LEU 19 11.476 -0.778 -3.801 150 3HD1 LEU 19 HD13 LEU 19 12.689 0.206 -4.619 151 1HD2 LEU 19 HD21 LEU 19 13.269 2.239 -3.301 152 2HD2 LEU 19 HD22 LEU 19 14.207 1.788 -1.878 153 3HD2 LEU 19 HD23 LEU 19 12.533 2.315 -1.701 154 H GLY 20 HN GLY 20 12.268 1.752 0.787 155 1HA GLY 20 HA2 GLY 20 15.085 2.601 0.640 156 2HA GLY 20 HA1 GLY 20 13.723 3.609 1.136 157 H LYS 21 HN LYS 21 13.374 0.765 2.809 158 HA LYS 21 HA LYS 21 13.805 0.167 5.053 159 1HB LYS 21 HB2 LYS 21 16.254 1.361 3.916 160 2HB LYS 21 HB1 LYS 21 16.195 1.370 5.679 161 1HG LYS 21 HG2 LYS 21 15.275 -1.164 4.543 162 2HG LYS 21 HG1 LYS 21 16.942 -0.789 4.100 163 1HD LYS 21 HD2 LYS 21 17.558 -1.514 6.142 164 2HD LYS 21 HD1 LYS 21 16.746 -0.098 6.812 165 1HE LYS 21 HE2 LYS 21 15.032 -2.446 6.104 166 2HE LYS 21 HE1 LYS 21 16.036 -2.565 7.563 167 1HZ LYS 21 HZ1 LYS 21 13.878 -0.682 6.944 168 2HZ LYS 21 HZ2 LYS 21 15.179 -0.118 7.879 169 3HZ LYS 21 HZ3 LYS 21 14.256 -1.441 8.413 170 1HN NH2 22 1HN NH2 22 12.790 3.108 4.167 171 2HN NH2 22 2HN NH2 22 12.798 3.933 5.650 Start of MODEL 15 1 1H SER 1 1H SER 1 -17.965 -5.436 0.552 2 2H SER 1 2H SER 1 -18.832 -5.849 1.953 3 3H SER 1 3H SER 1 -17.317 -6.555 1.650 4 HA SER 1 HA SER 1 -17.412 -3.633 1.814 5 1HB SER 1 HB2 SER 1 -17.287 -5.238 4.337 6 2HB SER 1 HB1 SER 1 -17.855 -3.589 4.092 7 HG SER 1 HG SER 1 -19.196 -5.982 3.917 8 H GLY 2 HN GLY 2 -15.514 -3.558 3.902 9 1HA GLY 2 HA2 GLY 2 -13.326 -4.471 4.497 10 2HA GLY 2 HA1 GLY 2 -13.289 -5.291 2.935 11 H SER 3 HN SER 3 -14.023 -3.174 1.248 12 HA SER 3 HA SER 3 -13.073 -1.322 0.126 13 1HB SER 3 HB2 SER 3 -11.890 -0.542 2.782 14 2HB SER 3 HB1 SER 3 -12.586 0.492 1.539 15 HG SER 3 HG SER 3 -13.842 -1.120 3.464 16 H LEU 4 HN LEU 4 -11.269 -1.447 -1.150 17 HA LEU 4 HA LEU 4 -8.896 -2.918 -0.188 18 1HB LEU 4 HB2 LEU 4 -10.132 -3.062 -2.472 19 2HB LEU 4 HB1 LEU 4 -9.274 -1.571 -2.862 20 HG LEU 4 HG LEU 4 -7.753 -3.914 -1.756 21 1HD1 LEU 4 HD11 LEU 4 -9.071 -3.707 -4.398 22 2HD1 LEU 4 HD12 LEU 4 -8.496 -5.135 -3.535 23 3HD1 LEU 4 HD13 LEU 4 -7.361 -4.141 -4.448 24 1HD2 LEU 4 HD21 LEU 4 -6.028 -2.527 -2.173 25 2HD2 LEU 4 HD22 LEU 4 -7.168 -1.297 -2.717 26 3HD2 LEU 4 HD23 LEU 4 -6.490 -2.442 -3.873 27 H SER 5 HN SER 5 -9.926 0.368 -0.604 28 HA SER 5 HA SER 5 -7.674 1.853 -1.187 29 1HB SER 5 HB2 SER 5 -8.649 3.522 0.383 30 2HB SER 5 HB1 SER 5 -9.886 2.754 -0.608 31 HG SER 5 HG SER 5 -9.876 2.893 1.962 32 H THR 6 HN THR 6 -8.492 1.206 2.237 33 HA THR 6 HA THR 6 -6.059 1.836 3.417 34 HB THR 6 HB THR 6 -6.811 -0.185 4.976 35 HG1 THR 6 HG1 THR 6 -9.082 -0.534 4.574 36 1HG2 THR 6 HG21 THR 6 -8.547 2.249 4.473 37 2HG2 THR 6 HG22 THR 6 -7.098 2.216 5.478 38 3HG2 THR 6 HG23 THR 6 -8.521 1.289 5.953 39 H PHE 7 HN PHE 7 -6.979 -1.438 2.267 40 HA PHE 7 HA PHE 7 -4.551 -2.769 2.764 41 1HB PHE 7 HB2 PHE 7 -6.984 -3.295 1.590 42 2HB PHE 7 HB1 PHE 7 -5.887 -3.410 0.212 43 HD1 PHE 7 HD1 PHE 7 -5.240 -5.599 -0.224 44 HD2 PHE 7 HD2 PHE 7 -5.665 -4.315 3.853 45 HE1 PHE 7 HE1 PHE 7 -4.488 -7.831 0.557 46 HE2 PHE 7 HE2 PHE 7 -4.914 -6.547 4.634 47 HZ PHE 7 HZ PHE 7 -4.325 -8.304 2.986 48 H PHE 8 HN PHE 8 -5.514 -0.976 -0.185 49 HA PHE 8 HA PHE 8 -3.124 -1.402 -1.674 50 1HB PHE 8 HB2 PHE 8 -5.248 -0.527 -2.567 51 2HB PHE 8 HB1 PHE 8 -5.058 0.940 -1.605 52 HD1 PHE 8 HD1 PHE 8 -2.925 -1.123 -3.915 53 HD2 PHE 8 HD2 PHE 8 -4.284 2.789 -2.775 54 HE1 PHE 8 HE1 PHE 8 -1.545 -0.118 -5.715 55 HE2 PHE 8 HE2 PHE 8 -2.904 3.794 -4.575 56 HZ PHE 8 HZ PHE 8 -1.535 2.339 -6.045 57 H ARG 9 HN ARG 9 -4.048 1.454 0.299 58 HA ARG 9 HA ARG 9 -1.609 2.870 0.094 59 1HB ARG 9 HB2 ARG 9 -4.023 3.250 1.240 60 2HB ARG 9 HB1 ARG 9 -3.084 2.865 2.683 61 1HG ARG 9 HG2 ARG 9 -2.998 5.263 2.349 62 2HG ARG 9 HG1 ARG 9 -1.408 4.598 1.976 63 1HD ARG 9 HD2 ARG 9 -1.726 5.940 0.098 64 2HD ARG 9 HD1 ARG 9 -2.477 4.440 -0.484 65 HE ARG 9 HE ARG 9 -4.374 6.022 1.015 66 1HH1 ARG 9 HH21 ARG 9 -3.197 7.997 -0.941 67 2HH1 ARG 9 HH22 ARG 9 -4.237 7.795 -2.312 68 1HH2 ARG 9 HH11 ARG 9 -5.535 4.772 -1.215 69 2HH2 ARG 9 HH12 ARG 9 -5.560 5.969 -2.467 70 H LEU 10 HN LEU 10 -2.613 0.475 2.560 71 HA LEU 10 HA LEU 10 -0.251 0.551 4.146 72 1HB LEU 10 HB2 LEU 10 -2.659 -1.008 3.813 73 2HB LEU 10 HB1 LEU 10 -1.292 -2.085 4.100 74 HG LEU 10 HG LEU 10 -2.396 -1.314 6.213 75 1HD1 LEU 10 HD11 LEU 10 -0.208 -1.961 6.635 76 2HD1 LEU 10 HD12 LEU 10 -0.136 -0.270 7.130 77 3HD1 LEU 10 HD13 LEU 10 0.468 -0.751 5.545 78 1HD2 LEU 10 HD21 LEU 10 -2.493 0.935 6.816 79 2HD2 LEU 10 HD22 LEU 10 -2.754 1.045 5.076 80 3HD2 LEU 10 HD23 LEU 10 -1.160 1.382 5.751 81 H PHE 11 HN PHE 11 -1.096 -1.569 1.386 82 HA PHE 11 HA PHE 11 1.307 -3.105 1.361 83 1HB PHE 11 HB2 PHE 11 -0.812 -3.604 0.157 84 2HB PHE 11 HB1 PHE 11 -0.503 -2.241 -0.920 85 HD1 PHE 11 HD1 PHE 11 1.341 -2.303 -2.544 86 HD2 PHE 11 HD2 PHE 11 0.489 -5.655 0.002 87 HE1 PHE 11 HE1 PHE 11 2.765 -3.748 -3.970 88 HE2 PHE 11 HE2 PHE 11 1.912 -7.100 -1.424 89 HZ PHE 11 HZ PHE 11 3.050 -6.147 -3.410 90 H ASN 12 HN ASN 12 0.433 -0.224 -0.595 91 HA ASN 12 HA ASN 12 2.945 0.071 -1.908 92 1HB ASN 12 HB2 ASN 12 0.608 1.822 -1.199 93 2HB ASN 12 HB1 ASN 12 2.037 2.553 -1.930 94 1HD2 ASN 12 HD21 ASN 12 2.875 0.844 -3.849 95 2HD2 ASN 12 HD22 ASN 12 1.645 0.478 -4.959 96 H ARG 13 HN ARG 13 1.742 1.453 1.159 97 HA ARG 13 HA ARG 13 4.024 3.091 1.723 98 1HB ARG 13 HB2 ARG 13 1.814 1.786 3.307 99 2HB ARG 13 HB1 ARG 13 3.071 2.716 4.125 100 1HG ARG 13 HG2 ARG 13 1.491 3.823 1.795 101 2HG ARG 13 HG1 ARG 13 0.978 4.023 3.471 102 1HD ARG 13 HD2 ARG 13 3.786 4.696 3.218 103 2HD ARG 13 HD1 ARG 13 2.814 5.648 2.078 104 HE ARG 13 HE ARG 13 1.877 5.406 4.895 105 1HH1 ARG 13 HH11 ARG 13 4.233 7.318 4.214 106 2HH1 ARG 13 HH12 ARG 13 3.373 8.814 4.062 107 1HH2 ARG 13 HH21 ARG 13 0.257 7.308 3.854 108 2HH2 ARG 13 HH22 ARG 13 1.122 8.808 3.857 109 H SER 14 HN SER 14 3.159 -0.135 3.042 110 HA SER 14 HA SER 14 5.555 -0.608 4.473 111 1HB SER 14 HB2 SER 14 4.828 -2.959 4.328 112 2HB SER 14 HB1 SER 14 3.441 -1.907 4.599 113 HG SER 14 HG SER 14 2.703 -2.411 2.690 114 H PHE 15 HN PHE 15 4.729 -1.497 1.102 115 HA PHE 15 HA PHE 15 7.193 -2.785 0.459 116 1HB PHE 15 HB2 PHE 15 5.271 -3.041 -0.940 117 2HB PHE 15 HB1 PHE 15 5.084 -1.297 -1.120 118 HD1 PHE 15 HD1 PHE 15 5.547 -0.632 -3.305 119 HD2 PHE 15 HD2 PHE 15 8.002 -3.637 -1.459 120 HE1 PHE 15 HE1 PHE 15 7.000 -0.680 -5.314 121 HE2 PHE 15 HE2 PHE 15 9.453 -3.686 -3.469 122 HZ PHE 15 HZ PHE 15 8.952 -2.207 -5.397 123 H THR 16 HN THR 16 6.153 0.596 -0.145 124 HA THR 16 HA THR 16 8.553 1.540 -1.317 125 HB THR 16 HB THR 16 6.370 2.789 0.361 126 HG1 THR 16 HG1 THR 16 5.671 3.472 -1.615 127 1HG2 THR 16 HG21 THR 16 8.952 3.918 -0.445 128 2HG2 THR 16 HG22 THR 16 7.771 4.528 0.714 129 3HG2 THR 16 HG23 THR 16 7.573 4.864 -1.006 130 H GLN 17 HN GLN 17 7.539 1.856 2.114 131 HA GLN 17 HA GLN 17 10.004 2.907 3.083 132 1HB GLN 17 HB2 GLN 17 7.622 1.463 4.200 133 2HB GLN 17 HB1 GLN 17 9.013 1.738 5.249 134 1HG GLN 17 HG2 GLN 17 8.738 4.025 5.252 135 2HG GLN 17 HG1 GLN 17 8.039 4.049 3.633 136 1HE2 GLN 17 HE21 GLN 17 6.517 5.538 5.171 137 2HE2 GLN 17 HE22 GLN 17 5.157 4.729 5.786 138 H ALA 18 HN ALA 18 8.850 -0.460 2.807 139 HA ALA 18 HA ALA 18 11.043 -1.733 4.112 140 1HB ALA 18 HB1 ALA 18 9.089 -2.992 3.682 141 2HB ALA 18 HB2 ALA 18 10.255 -3.647 2.532 142 3HB ALA 18 HB3 ALA 18 9.036 -2.493 1.991 143 H LEU 19 HN LEU 19 10.486 -1.626 0.570 144 HA LEU 19 HA LEU 19 13.077 -2.428 -0.216 145 1HB LEU 19 HB2 LEU 19 10.690 -1.169 -1.348 146 2HB LEU 19 HB1 LEU 19 12.167 -0.652 -2.163 147 HG LEU 19 HG LEU 19 11.206 -2.698 -3.195 148 1HD1 LEU 19 HD11 LEU 19 13.269 -3.786 -3.449 149 2HD1 LEU 19 HD12 LEU 19 13.727 -3.516 -1.767 150 3HD1 LEU 19 HD13 LEU 19 13.754 -2.177 -2.914 151 1HD2 LEU 19 HD21 LEU 19 11.455 -3.645 -0.357 152 2HD2 LEU 19 HD22 LEU 19 11.651 -4.811 -1.666 153 3HD2 LEU 19 HD23 LEU 19 10.145 -3.906 -1.508 154 H GLY 20 HN GLY 20 12.002 0.608 1.086 155 1HA GLY 20 HA2 GLY 20 14.209 2.190 0.011 156 2HA GLY 20 HA1 GLY 20 13.080 2.707 1.265 157 H LYS 21 HN LYS 21 14.169 -0.273 2.234 158 HA LYS 21 HA LYS 21 15.504 0.481 4.534 159 1HB LYS 21 HB2 LYS 21 15.604 -1.839 2.658 160 2HB LYS 21 HB1 LYS 21 16.841 -1.766 3.914 161 1HG LYS 21 HG2 LYS 21 15.346 -2.154 5.591 162 2HG LYS 21 HG1 LYS 21 14.088 -1.183 4.827 163 1HD LYS 21 HD2 LYS 21 13.100 -3.061 4.084 164 2HD LYS 21 HD1 LYS 21 14.552 -3.449 3.161 165 1HE LYS 21 HE2 LYS 21 15.531 -4.448 5.273 166 2HE LYS 21 HE1 LYS 21 13.936 -4.245 6.023 167 1HZ LYS 21 HZ1 LYS 21 14.547 -5.755 3.538 168 2HZ LYS 21 HZ2 LYS 21 12.978 -5.448 4.113 169 3HZ LYS 21 HZ3 LYS 21 14.044 -6.411 5.019 170 1HN NH2 22 1HN NH2 22 17.318 -0.461 1.543 171 2HN NH2 22 2HN NH2 22 18.639 0.564 1.838 Start of MODEL 16 1 1H SER 1 1H SER 1 -16.051 2.177 -4.919 2 2H SER 1 2H SER 1 -15.440 2.056 -6.499 3 3H SER 1 3H SER 1 -15.638 3.581 -5.776 4 HA SER 1 HA SER 1 -13.281 2.493 -5.867 5 1HB SER 1 HB2 SER 1 -12.817 3.837 -3.865 6 2HB SER 1 HB1 SER 1 -14.033 4.643 -4.852 7 HG SER 1 HG SER 1 -14.589 2.920 -2.662 8 H GLY 2 HN GLY 2 -13.150 0.184 -5.695 9 1HA GLY 2 HA2 GLY 2 -13.154 -0.801 -2.888 10 2HA GLY 2 HA1 GLY 2 -14.053 -1.715 -4.100 11 H SER 3 HN SER 3 -10.843 -0.125 -4.113 12 HA SER 3 HA SER 3 -9.621 -2.783 -4.729 13 1HB SER 3 HB2 SER 3 -10.033 -1.739 -6.862 14 2HB SER 3 HB1 SER 3 -9.428 -0.189 -6.285 15 HG SER 3 HG SER 3 -7.651 -0.935 -7.177 16 H LEU 4 HN LEU 4 -8.817 0.685 -4.257 17 HA LEU 4 HA LEU 4 -6.189 0.179 -3.192 18 1HB LEU 4 HB2 LEU 4 -7.956 2.369 -3.822 19 2HB LEU 4 HB1 LEU 4 -7.219 2.647 -2.243 20 HG LEU 4 HG LEU 4 -5.879 3.524 -4.209 21 1HD1 LEU 4 HD11 LEU 4 -3.921 3.139 -3.067 22 2HD1 LEU 4 HD12 LEU 4 -4.218 1.407 -2.931 23 3HD1 LEU 4 HD13 LEU 4 -5.045 2.530 -1.853 24 1HD2 LEU 4 HD21 LEU 4 -4.699 0.944 -4.823 25 2HD2 LEU 4 HD22 LEU 4 -5.356 2.153 -5.925 26 3HD2 LEU 4 HD23 LEU 4 -6.421 0.947 -5.204 27 H SER 5 HN SER 5 -8.681 1.871 -1.325 28 HA SER 5 HA SER 5 -9.272 1.693 0.956 29 1HB SER 5 HB2 SER 5 -8.633 -1.233 0.545 30 2HB SER 5 HB1 SER 5 -9.875 -0.529 1.576 31 HG SER 5 HG SER 5 -11.057 -0.938 -0.138 32 H THR 6 HN THR 6 -8.377 1.044 3.140 33 HA THR 6 HA THR 6 -5.713 1.801 3.546 34 HB THR 6 HB THR 6 -7.560 -0.056 5.074 35 HG1 THR 6 HG1 THR 6 -8.343 1.751 5.763 36 1HG2 THR 6 HG21 THR 6 -5.477 -0.628 5.977 37 2HG2 THR 6 HG22 THR 6 -5.990 0.701 7.018 38 3HG2 THR 6 HG23 THR 6 -4.819 0.990 5.731 39 H PHE 7 HN PHE 7 -7.023 -1.429 2.864 40 HA PHE 7 HA PHE 7 -4.767 -3.033 3.390 41 1HB PHE 7 HB2 PHE 7 -7.262 -3.393 2.422 42 2HB PHE 7 HB1 PHE 7 -6.354 -3.530 0.915 43 HD1 PHE 7 HD1 PHE 7 -4.639 -5.288 0.629 44 HD2 PHE 7 HD2 PHE 7 -7.047 -5.045 4.179 45 HE1 PHE 7 HE1 PHE 7 -3.966 -7.595 1.243 46 HE2 PHE 7 HE2 PHE 7 -6.374 -7.353 4.793 47 HZ PHE 7 HZ PHE 7 -4.834 -8.627 3.325 48 H PHE 8 HN PHE 8 -5.665 -1.737 0.158 49 HA PHE 8 HA PHE 8 -3.153 -2.331 -1.072 50 1HB PHE 8 HB2 PHE 8 -5.509 -1.661 -1.998 51 2HB PHE 8 HB1 PHE 8 -4.916 -0.008 -1.829 52 HD1 PHE 8 HD1 PHE 8 -5.067 -2.806 -3.983 53 HD2 PHE 8 HD2 PHE 8 -2.480 0.411 -2.794 54 HE1 PHE 8 HE1 PHE 8 -3.801 -3.042 -6.102 55 HE2 PHE 8 HE2 PHE 8 -1.214 0.175 -4.913 56 HZ PHE 8 HZ PHE 8 -1.874 -1.552 -6.568 57 H ARG 9 HN ARG 9 -4.377 0.657 0.466 58 HA ARG 9 HA ARG 9 -2.139 2.330 -0.067 59 1HB ARG 9 HB2 ARG 9 -4.576 2.392 1.325 60 2HB ARG 9 HB1 ARG 9 -3.352 2.742 2.547 61 1HG ARG 9 HG2 ARG 9 -2.413 4.511 1.107 62 2HG ARG 9 HG1 ARG 9 -3.637 4.166 -0.115 63 1HD ARG 9 HD2 ARG 9 -5.424 4.812 1.425 64 2HD ARG 9 HD1 ARG 9 -4.243 5.058 2.727 65 HE ARG 9 HE ARG 9 -3.196 6.816 1.219 66 1HH1 ARG 9 HH11 ARG 9 -5.892 5.592 -0.333 67 2HH1 ARG 9 HH12 ARG 9 -6.652 7.122 -0.612 68 1HH2 ARG 9 HH21 ARG 9 -4.414 8.893 1.357 69 2HH2 ARG 9 HH22 ARG 9 -5.817 8.991 0.345 70 H LEU 10 HN LEU 10 -2.815 0.247 2.772 71 HA LEU 10 HA LEU 10 -0.388 0.815 4.179 72 1HB LEU 10 HB2 LEU 10 -2.671 -0.466 4.728 73 2HB LEU 10 HB1 LEU 10 -1.697 -1.873 4.304 74 HG LEU 10 HG LEU 10 0.080 -0.767 5.898 75 1HD1 LEU 10 HD11 LEU 10 -1.896 1.144 6.079 76 2HD1 LEU 10 HD12 LEU 10 -0.613 0.905 7.267 77 3HD1 LEU 10 HD13 LEU 10 -2.194 0.165 7.516 78 1HD2 LEU 10 HD21 LEU 10 -1.393 -1.813 7.875 79 2HD2 LEU 10 HD22 LEU 10 -0.648 -2.830 6.641 80 3HD2 LEU 10 HD23 LEU 10 -2.351 -2.393 6.511 81 H PHE 11 HN PHE 11 -1.235 -1.859 1.951 82 HA PHE 11 HA PHE 11 1.226 -3.259 2.028 83 1HB PHE 11 HB2 PHE 11 -1.176 -3.512 0.794 84 2HB PHE 11 HB1 PHE 11 -0.193 -2.981 -0.571 85 HD1 PHE 11 HD1 PHE 11 1.670 -4.336 -1.394 86 HD2 PHE 11 HD2 PHE 11 -0.723 -5.631 1.929 87 HE1 PHE 11 HE1 PHE 11 2.626 -6.615 -1.594 88 HE2 PHE 11 HE2 PHE 11 0.232 -7.911 1.729 89 HZ PHE 11 HZ PHE 11 1.907 -8.403 -0.033 90 H ASN 12 HN ASN 12 0.202 -0.600 -0.141 91 HA ASN 12 HA ASN 12 2.634 -0.445 -1.645 92 1HB ASN 12 HB2 ASN 12 0.109 0.862 -1.410 93 2HB ASN 12 HB1 ASN 12 1.355 2.109 -1.352 94 1HD2 ASN 12 HD21 ASN 12 1.196 -1.013 -3.159 95 2HD2 ASN 12 HD22 ASN 12 1.462 -0.312 -4.681 96 H ARG 13 HN ARG 13 1.496 1.548 1.116 97 HA ARG 13 HA ARG 13 3.775 3.166 1.451 98 1HB ARG 13 HB2 ARG 13 1.426 2.309 2.926 99 2HB ARG 13 HB1 ARG 13 2.802 2.510 4.012 100 1HG ARG 13 HG2 ARG 13 2.084 4.598 1.952 101 2HG ARG 13 HG1 ARG 13 1.374 4.600 3.566 102 1HD ARG 13 HD2 ARG 13 3.226 5.896 4.037 103 2HD ARG 13 HD1 ARG 13 4.004 4.309 4.209 104 HE ARG 13 HE ARG 13 3.913 5.417 1.471 105 1HH1 ARG 13 HH11 ARG 13 5.735 3.506 3.387 106 2HH1 ARG 13 HH12 ARG 13 7.250 4.299 3.117 107 1HH2 ARG 13 HH21 ARG 13 5.834 7.046 1.547 108 2HH2 ARG 13 HH22 ARG 13 7.307 6.304 2.075 109 H SER 14 HN SER 14 3.099 -0.013 2.964 110 HA SER 14 HA SER 14 5.555 -0.251 4.394 111 1HB SER 14 HB2 SER 14 3.511 -1.621 4.712 112 2HB SER 14 HB1 SER 14 3.773 -2.365 3.138 113 HG SER 14 HG SER 14 4.901 -3.734 4.282 114 H PHE 15 HN PHE 15 4.641 -1.616 1.202 115 HA PHE 15 HA PHE 15 7.116 -2.800 0.536 116 1HB PHE 15 HB2 PHE 15 4.825 -2.862 -0.621 117 2HB PHE 15 HB1 PHE 15 5.286 -1.339 -1.381 118 HD1 PHE 15 HD1 PHE 15 6.003 -1.635 -3.574 119 HD2 PHE 15 HD2 PHE 15 7.080 -4.549 -0.608 120 HE1 PHE 15 HE1 PHE 15 7.317 -2.876 -5.271 121 HE2 PHE 15 HE2 PHE 15 8.394 -5.790 -2.306 122 HZ PHE 15 HZ PHE 15 8.512 -4.954 -4.637 123 H THR 16 HN THR 16 6.000 0.551 -0.006 124 HA THR 16 HA THR 16 8.320 1.464 -1.418 125 HB THR 16 HB THR 16 6.164 2.752 0.266 126 HG1 THR 16 HG1 THR 16 5.497 2.013 -1.715 127 1HG2 THR 16 HG21 THR 16 8.290 4.088 0.368 128 2HG2 THR 16 HG22 THR 16 6.958 4.928 -0.427 129 3HG2 THR 16 HG23 THR 16 8.243 4.200 -1.391 130 H GLN 17 HN GLN 17 7.436 1.757 2.047 131 HA GLN 17 HA GLN 17 9.780 3.060 2.950 132 1HB GLN 17 HB2 GLN 17 7.721 2.723 4.255 133 2HB GLN 17 HB1 GLN 17 8.016 0.984 4.290 134 1HG GLN 17 HG2 GLN 17 10.400 1.969 5.231 135 2HG GLN 17 HG1 GLN 17 9.246 3.126 5.894 136 1HE2 GLN 17 HE21 GLN 17 9.067 2.418 8.060 137 2HE2 GLN 17 HE22 GLN 17 8.606 0.845 8.504 138 H ALA 18 HN ALA 18 9.098 -0.451 2.747 139 HA ALA 18 HA ALA 18 11.637 -1.334 3.734 140 1HB ALA 18 HB1 ALA 18 9.578 -2.698 3.548 141 2HB ALA 18 HB2 ALA 18 10.923 -3.470 2.710 142 3HB ALA 18 HB3 ALA 18 9.687 -2.614 1.790 143 H LEU 19 HN LEU 19 10.457 -0.827 0.391 144 HA LEU 19 HA LEU 19 12.680 -1.694 -1.072 145 1HB LEU 19 HB2 LEU 19 10.343 -0.601 -1.673 146 2HB LEU 19 HB1 LEU 19 11.296 0.880 -1.760 147 HG LEU 19 HG LEU 19 12.073 -1.655 -3.217 148 1HD1 LEU 19 HD11 LEU 19 10.122 0.485 -3.905 149 2HD1 LEU 19 HD12 LEU 19 10.165 -1.203 -4.414 150 3HD1 LEU 19 HD13 LEU 19 11.223 -0.022 -5.186 151 1HD2 LEU 19 HD21 LEU 19 13.280 0.159 -4.613 152 2HD2 LEU 19 HD22 LEU 19 13.942 -0.210 -3.020 153 3HD2 LEU 19 HD23 LEU 19 12.956 1.233 -3.252 154 H GLY 20 HN GLY 20 12.196 1.475 0.504 155 1HA GLY 20 HA2 GLY 20 13.979 2.782 1.461 156 2HA GLY 20 HA1 GLY 20 15.138 1.847 0.511 157 H LYS 21 HN LYS 21 12.657 2.572 -1.572 158 HA LYS 21 HA LYS 21 12.381 4.216 -3.251 159 1HB LYS 21 HB2 LYS 21 12.860 5.518 -0.867 160 2HB LYS 21 HB1 LYS 21 14.119 6.180 -1.909 161 1HG LYS 21 HG2 LYS 21 12.385 6.699 -3.623 162 2HG LYS 21 HG1 LYS 21 11.146 6.130 -2.502 163 1HD LYS 21 HD2 LYS 21 11.690 7.859 -0.909 164 2HD LYS 21 HD1 LYS 21 13.106 8.344 -1.842 165 1HE LYS 21 HE2 LYS 21 11.658 9.910 -2.705 166 2HE LYS 21 HE1 LYS 21 11.140 8.564 -3.738 167 1HZ LYS 21 HZ1 LYS 21 9.197 9.336 -2.676 168 2HZ LYS 21 HZ2 LYS 21 9.961 9.441 -1.163 169 3HZ LYS 21 HZ3 LYS 21 9.629 7.921 -1.847 170 1HN NH2 22 1HN NH2 22 15.682 5.002 -2.018 171 2HN NH2 22 2HN NH2 22 16.482 4.641 -3.472 Start of MODEL 17 1 1H SER 1 1H SER 1 -13.006 -7.044 -5.028 2 2H SER 1 2H SER 1 -13.921 -5.770 -5.679 3 3H SER 1 3H SER 1 -14.201 -6.293 -4.087 4 HA SER 1 HA SER 1 -12.871 -4.162 -4.336 5 1HB SER 1 HB2 SER 1 -11.625 -6.502 -2.869 6 2HB SER 1 HB1 SER 1 -11.612 -4.810 -2.380 7 HG SER 1 HG SER 1 -13.361 -6.612 -1.714 8 H GLY 2 HN GLY 2 -11.534 -3.470 -5.986 9 1HA GLY 2 HA2 GLY 2 -9.638 -5.199 -7.317 10 2HA GLY 2 HA1 GLY 2 -9.737 -3.447 -7.505 11 H SER 3 HN SER 3 -8.005 -2.347 -6.743 12 HA SER 3 HA SER 3 -6.501 -3.491 -4.416 13 1HB SER 3 HB2 SER 3 -5.630 -3.748 -6.925 14 2HB SER 3 HB1 SER 3 -5.084 -2.095 -6.656 15 HG SER 3 HG SER 3 -3.450 -3.343 -5.925 16 H LEU 4 HN LEU 4 -7.455 -1.872 -3.034 17 HA LEU 4 HA LEU 4 -6.105 0.719 -3.099 18 1HB LEU 4 HB2 LEU 4 -8.233 0.548 -4.740 19 2HB LEU 4 HB1 LEU 4 -9.076 0.942 -3.242 20 HG LEU 4 HG LEU 4 -7.226 2.791 -3.012 21 1HD1 LEU 4 HD11 LEU 4 -6.685 3.649 -5.372 22 2HD1 LEU 4 HD12 LEU 4 -7.151 2.045 -5.941 23 3HD1 LEU 4 HD13 LEU 4 -5.795 2.227 -4.828 24 1HD2 LEU 4 HD21 LEU 4 -8.711 4.158 -4.783 25 2HD2 LEU 4 HD22 LEU 4 -9.346 3.678 -3.209 26 3HD2 LEU 4 HD23 LEU 4 -9.724 2.721 -4.643 27 H SER 5 HN SER 5 -8.478 1.888 -1.613 28 HA SER 5 HA SER 5 -9.109 2.090 0.659 29 1HB SER 5 HB2 SER 5 -10.263 -0.003 -0.178 30 2HB SER 5 HB1 SER 5 -8.927 -0.934 0.493 31 HG SER 5 HG SER 5 -11.035 0.308 1.739 32 H THR 6 HN THR 6 -8.440 1.098 2.969 33 HA THR 6 HA THR 6 -5.803 1.793 3.564 34 HB THR 6 HB THR 6 -6.403 -0.161 5.408 35 HG1 THR 6 HG1 THR 6 -8.824 0.393 5.504 36 1HG2 THR 6 HG21 THR 6 -7.927 2.393 5.593 37 2HG2 THR 6 HG22 THR 6 -6.175 2.509 5.426 38 3HG2 THR 6 HG23 THR 6 -6.875 1.623 6.780 39 H PHE 7 HN PHE 7 -7.035 -1.518 2.941 40 HA PHE 7 HA PHE 7 -4.767 -3.061 3.252 41 1HB PHE 7 HB2 PHE 7 -6.727 -3.110 0.933 42 2HB PHE 7 HB1 PHE 7 -5.743 -4.470 1.471 43 HD1 PHE 7 HD1 PHE 7 -8.960 -3.481 1.506 44 HD2 PHE 7 HD2 PHE 7 -5.876 -4.458 4.331 45 HE1 PHE 7 HE1 PHE 7 -10.686 -4.066 3.188 46 HE2 PHE 7 HE2 PHE 7 -7.602 -5.044 6.012 47 HZ PHE 7 HZ PHE 7 -10.007 -4.849 5.441 48 H PHE 8 HN PHE 8 -5.623 -1.646 0.067 49 HA PHE 8 HA PHE 8 -3.102 -2.094 -1.162 50 1HB PHE 8 HB2 PHE 8 -5.361 -1.445 -2.163 51 2HB PHE 8 HB1 PHE 8 -4.999 0.213 -1.678 52 HD1 PHE 8 HD1 PHE 8 -2.852 -2.523 -3.085 53 HD2 PHE 8 HD2 PHE 8 -4.418 1.446 -3.577 54 HE1 PHE 8 HE1 PHE 8 -1.464 -2.228 -5.119 55 HE2 PHE 8 HE2 PHE 8 -3.031 1.742 -5.611 56 HZ PHE 8 HZ PHE 8 -1.553 -0.095 -6.382 57 H ARG 9 HN ARG 9 -4.345 0.798 0.539 58 HA ARG 9 HA ARG 9 -2.100 2.494 0.166 59 1HB ARG 9 HB2 ARG 9 -4.541 2.389 1.627 60 2HB ARG 9 HB1 ARG 9 -3.270 2.815 2.775 61 1HG ARG 9 HG2 ARG 9 -3.030 4.217 0.207 62 2HG ARG 9 HG1 ARG 9 -4.524 4.587 1.067 63 1HD ARG 9 HD2 ARG 9 -3.335 5.996 2.385 64 2HD ARG 9 HD1 ARG 9 -2.462 4.587 3.021 65 HE ARG 9 HE ARG 9 -1.035 4.873 0.842 66 1HH1 ARG 9 HH21 ARG 9 -1.578 7.010 3.357 67 2HH1 ARG 9 HH22 ARG 9 -0.872 8.389 2.580 68 1HH2 ARG 9 HH11 ARG 9 -0.535 6.815 -0.492 69 2HH2 ARG 9 HH12 ARG 9 -0.281 8.277 0.402 70 H LEU 10 HN LEU 10 -2.804 0.233 2.857 71 HA LEU 10 HA LEU 10 -0.399 0.702 4.328 72 1HB LEU 10 HB2 LEU 10 -2.483 -0.445 5.106 73 2HB LEU 10 HB1 LEU 10 -2.072 -1.820 4.079 74 HG LEU 10 HG LEU 10 0.263 -1.523 5.425 75 1HD1 LEU 10 HD11 LEU 10 -0.765 -1.327 7.892 76 2HD1 LEU 10 HD12 LEU 10 -1.908 -0.280 7.051 77 3HD1 LEU 10 HD13 LEU 10 -0.182 0.086 7.013 78 1HD2 LEU 10 HD21 LEU 10 -1.989 -3.288 5.435 79 2HD2 LEU 10 HD22 LEU 10 -1.450 -3.082 7.101 80 3HD2 LEU 10 HD23 LEU 10 -0.320 -3.652 5.873 81 H PHE 11 HN PHE 11 -1.195 -1.903 1.993 82 HA PHE 11 HA PHE 11 1.296 -3.233 1.985 83 1HB PHE 11 HB2 PHE 11 -0.956 -3.794 0.876 84 2HB PHE 11 HB1 PHE 11 -0.443 -2.740 -0.443 85 HD1 PHE 11 HD1 PHE 11 2.169 -3.188 -1.128 86 HD2 PHE 11 HD2 PHE 11 -0.540 -6.058 0.568 87 HE1 PHE 11 HE1 PHE 11 3.531 -5.033 -2.073 88 HE2 PHE 11 HE2 PHE 11 0.822 -7.903 -0.377 89 HZ PHE 11 HZ PHE 11 2.858 -7.390 -1.697 90 H ASN 12 HN ASN 12 0.224 -0.446 0.019 91 HA ASN 12 HA ASN 12 2.631 -0.203 -1.530 92 1HB ASN 12 HB2 ASN 12 0.115 1.168 -1.063 93 2HB ASN 12 HB1 ASN 12 1.433 2.330 -1.217 94 1HD2 ASN 12 HD21 ASN 12 1.169 3.052 -3.369 95 2HD2 ASN 12 HD22 ASN 12 1.166 2.023 -4.718 96 H ARG 13 HN ARG 13 1.527 1.531 1.409 97 HA ARG 13 HA ARG 13 3.789 3.195 1.773 98 1HB ARG 13 HB2 ARG 13 1.670 3.385 2.996 99 2HB ARG 13 HB1 ARG 13 1.960 1.829 3.776 100 1HG ARG 13 HG2 ARG 13 3.821 2.676 5.004 101 2HG ARG 13 HG1 ARG 13 3.893 4.140 4.022 102 1HD ARG 13 HD2 ARG 13 1.556 4.699 4.888 103 2HD ARG 13 HD1 ARG 13 1.783 3.388 6.062 104 HE ARG 13 HE ARG 13 3.598 5.761 5.854 105 1HH1 ARG 13 HH11 ARG 13 1.429 4.129 7.814 106 2HH1 ARG 13 HH12 ARG 13 2.447 4.088 9.215 107 1HH2 ARG 13 HH21 ARG 13 5.240 5.287 7.548 108 2HH2 ARG 13 HH22 ARG 13 4.604 4.745 9.065 109 H SER 14 HN SER 14 3.153 -0.005 3.276 110 HA SER 14 HA SER 14 5.702 -0.264 4.542 111 1HB SER 14 HB2 SER 14 5.017 -2.629 4.708 112 2HB SER 14 HB1 SER 14 3.651 -1.568 5.042 113 HG SER 14 HG SER 14 3.020 -1.863 2.854 114 H PHE 15 HN PHE 15 4.526 -1.513 1.397 115 HA PHE 15 HA PHE 15 6.912 -2.842 0.602 116 1HB PHE 15 HB2 PHE 15 4.869 -3.217 -0.569 117 2HB PHE 15 HB1 PHE 15 4.629 -1.493 -0.853 118 HD1 PHE 15 HD1 PHE 15 7.010 -4.285 -1.604 119 HD2 PHE 15 HD2 PHE 15 5.362 -0.522 -2.858 120 HE1 PHE 15 HE1 PHE 15 8.232 -4.467 -3.755 121 HE2 PHE 15 HE2 PHE 15 6.584 -0.704 -5.009 122 HZ PHE 15 HZ PHE 15 8.019 -2.675 -5.457 123 H THR 16 HN THR 16 5.843 0.525 0.030 124 HA THR 16 HA THR 16 8.118 1.322 -1.530 125 HB THR 16 HB THR 16 6.365 2.988 0.303 126 HG1 THR 16 HG1 THR 16 5.141 3.174 -1.730 127 1HG2 THR 16 HG21 THR 16 6.985 4.166 -2.238 128 2HG2 THR 16 HG22 THR 16 8.483 3.625 -1.481 129 3HG2 THR 16 HG23 THR 16 7.417 4.741 -0.627 130 H GLN 17 HN GLN 17 7.397 1.670 1.961 131 HA GLN 17 HA GLN 17 9.801 3.015 2.696 132 1HB GLN 17 HB2 GLN 17 7.961 1.103 4.168 133 2HB GLN 17 HB1 GLN 17 9.196 2.081 4.962 134 1HG GLN 17 HG2 GLN 17 7.281 3.469 3.135 135 2HG GLN 17 HG1 GLN 17 6.690 2.957 4.717 136 1HE2 GLN 17 HE21 GLN 17 6.891 4.617 6.216 137 2HE2 GLN 17 HE22 GLN 17 8.166 5.736 6.273 138 H ALA 18 HN ALA 18 9.029 -0.470 2.550 139 HA ALA 18 HA ALA 18 11.575 -1.378 3.553 140 1HB ALA 18 HB1 ALA 18 10.740 -3.529 2.883 141 2HB ALA 18 HB2 ALA 18 9.682 -2.808 1.670 142 3HB ALA 18 HB3 ALA 18 9.332 -2.593 3.385 143 H LEU 19 HN LEU 19 10.266 -1.231 0.214 144 HA LEU 19 HA LEU 19 12.489 -2.133 -1.220 145 1HB LEU 19 HB2 LEU 19 10.059 -1.146 -1.807 146 2HB LEU 19 HB1 LEU 19 11.025 0.274 -2.208 147 HG LEU 19 HG LEU 19 12.529 -1.389 -3.520 148 1HD1 LEU 19 HD11 LEU 19 11.882 -3.544 -3.225 149 2HD1 LEU 19 HD12 LEU 19 10.602 -3.164 -4.378 150 3HD1 LEU 19 HD13 LEU 19 10.283 -3.076 -2.646 151 1HD2 LEU 19 HD21 LEU 19 11.260 0.240 -4.723 152 2HD2 LEU 19 HD22 LEU 19 9.736 -0.561 -4.341 153 3HD2 LEU 19 HD23 LEU 19 10.865 -1.308 -5.470 154 H GLY 20 HN GLY 20 12.009 0.994 0.347 155 1HA GLY 20 HA2 GLY 20 13.732 2.507 0.998 156 2HA GLY 20 HA1 GLY 20 14.877 1.579 0.026 157 H LYS 21 HN LYS 21 12.229 2.027 -1.920 158 HA LYS 21 HA LYS 21 11.900 3.406 -3.811 159 1HB LYS 21 HB2 LYS 21 12.253 4.988 -1.392 160 2HB LYS 21 HB1 LYS 21 12.743 5.894 -2.824 161 1HG LYS 21 HG2 LYS 21 10.621 5.866 -3.741 162 2HG LYS 21 HG1 LYS 21 10.190 4.344 -2.958 163 1HD LYS 21 HD2 LYS 21 9.672 5.375 -0.933 164 2HD LYS 21 HD1 LYS 21 10.689 6.777 -1.271 165 1HE LYS 21 HE2 LYS 21 8.258 6.199 -2.971 166 2HE LYS 21 HE1 LYS 21 8.122 7.114 -1.454 167 1HZ LYS 21 HZ1 LYS 21 9.498 8.772 -2.216 168 2HZ LYS 21 HZ2 LYS 21 8.687 8.357 -3.651 169 3HZ LYS 21 HZ3 LYS 21 10.259 7.780 -3.363 170 1HN NH2 22 1HN NH2 22 13.216 5.282 -5.139 171 2HN NH2 22 2HN NH2 22 14.877 4.973 -5.305 Start of MODEL 18 1 1H SER 1 1H SER 1 -11.092 -2.369 -7.517 2 2H SER 1 2H SER 1 -11.817 -3.868 -7.178 3 3H SER 1 3H SER 1 -12.528 -2.812 -8.301 4 HA SER 1 HA SER 1 -11.491 -4.165 -9.788 5 1HB SER 1 HB2 SER 1 -10.471 -1.729 -9.464 6 2HB SER 1 HB1 SER 1 -9.029 -2.639 -9.014 7 HG SER 1 HG SER 1 -9.484 -2.075 -11.356 8 H GLY 2 HN GLY 2 -9.662 -3.955 -6.753 9 1HA GLY 2 HA2 GLY 2 -9.165 -6.777 -6.669 10 2HA GLY 2 HA1 GLY 2 -7.718 -5.944 -7.238 11 H SER 3 HN SER 3 -6.726 -4.363 -5.811 12 HA SER 3 HA SER 3 -6.678 -5.157 -3.046 13 1HB SER 3 HB2 SER 3 -4.750 -4.199 -4.140 14 2HB SER 3 HB1 SER 3 -5.656 -2.757 -4.590 15 HG SER 3 HG SER 3 -5.061 -3.623 -1.948 16 H LEU 4 HN LEU 4 -6.939 -3.290 -1.311 17 HA LEU 4 HA LEU 4 -9.569 -1.931 -1.811 18 1HB LEU 4 HB2 LEU 4 -8.626 -3.807 0.175 19 2HB LEU 4 HB1 LEU 4 -9.113 -2.305 0.959 20 HG LEU 4 HG LEU 4 -11.018 -3.875 0.739 21 1HD1 LEU 4 HD11 LEU 4 -11.437 -1.598 -1.198 22 2HD1 LEU 4 HD12 LEU 4 -11.200 -1.303 0.524 23 3HD1 LEU 4 HD13 LEU 4 -12.573 -2.264 -0.025 24 1HD2 LEU 4 HD21 LEU 4 -11.469 -3.569 -2.091 25 2HD2 LEU 4 HD22 LEU 4 -11.313 -5.057 -1.157 26 3HD2 LEU 4 HD23 LEU 4 -9.879 -4.285 -1.830 27 H SER 5 HN SER 5 -9.838 0.139 -0.683 28 HA SER 5 HA SER 5 -7.844 2.037 -0.953 29 1HB SER 5 HB2 SER 5 -10.340 1.696 0.521 30 2HB SER 5 HB1 SER 5 -9.237 2.788 1.352 31 HG SER 5 HG SER 5 -9.588 3.031 -1.419 32 H THR 6 HN THR 6 -8.691 0.969 2.345 33 HA THR 6 HA THR 6 -6.333 1.759 3.628 34 HB THR 6 HB THR 6 -7.056 -0.480 5.002 35 HG1 THR 6 HG1 THR 6 -8.683 -1.310 3.982 36 1HG2 THR 6 HG21 THR 6 -7.225 1.602 6.076 37 2HG2 THR 6 HG22 THR 6 -8.903 1.073 5.974 38 3HG2 THR 6 HG23 THR 6 -8.283 2.263 4.830 39 H PHE 7 HN PHE 7 -7.023 -1.596 2.547 40 HA PHE 7 HA PHE 7 -4.517 -2.743 3.001 41 1HB PHE 7 HB2 PHE 7 -6.737 -3.114 1.021 42 2HB PHE 7 HB1 PHE 7 -5.257 -4.050 0.805 43 HD1 PHE 7 HD1 PHE 7 -6.644 -2.920 4.058 44 HD2 PHE 7 HD2 PHE 7 -6.074 -6.230 1.381 45 HE1 PHE 7 HE1 PHE 7 -7.374 -4.485 5.838 46 HE2 PHE 7 HE2 PHE 7 -6.803 -7.796 3.161 47 HZ PHE 7 HZ PHE 7 -7.453 -6.923 5.389 48 H PHE 8 HN PHE 8 -5.567 -1.435 -0.174 49 HA PHE 8 HA PHE 8 -3.171 -1.545 -1.571 50 1HB PHE 8 HB2 PHE 8 -5.184 -0.797 -2.620 51 2HB PHE 8 HB1 PHE 8 -5.378 0.523 -1.467 52 HD1 PHE 8 HD1 PHE 8 -3.038 -0.768 -4.090 53 HD2 PHE 8 HD2 PHE 8 -4.529 2.654 -1.965 54 HE1 PHE 8 HE1 PHE 8 -1.732 0.726 -5.578 55 HE2 PHE 8 HE2 PHE 8 -3.224 4.147 -3.453 56 HZ PHE 8 HZ PHE 8 -1.825 3.184 -5.260 57 H ARG 9 HN ARG 9 -4.237 1.277 0.379 58 HA ARG 9 HA ARG 9 -1.902 2.834 0.174 59 1HB ARG 9 HB2 ARG 9 -4.008 3.582 1.168 60 2HB ARG 9 HB1 ARG 9 -3.828 2.423 2.486 61 1HG ARG 9 HG2 ARG 9 -1.446 3.738 2.644 62 2HG ARG 9 HG1 ARG 9 -2.500 5.035 2.078 63 1HD ARG 9 HD2 ARG 9 -3.812 4.993 4.002 64 2HD ARG 9 HD1 ARG 9 -3.443 3.289 4.337 65 HE ARG 9 HE ARG 9 -1.012 4.224 4.699 66 1HH1 ARG 9 HH21 ARG 9 -4.016 5.234 5.948 67 2HH1 ARG 9 HH22 ARG 9 -3.349 6.459 6.976 68 1HH2 ARG 9 HH11 ARG 9 -0.114 6.068 5.790 69 2HH2 ARG 9 HH12 ARG 9 -1.140 6.931 6.887 70 H LEU 10 HN LEU 10 -2.700 0.633 2.898 71 HA LEU 10 HA LEU 10 -0.266 0.732 4.276 72 1HB LEU 10 HB2 LEU 10 -2.578 -1.038 3.992 73 2HB LEU 10 HB1 LEU 10 -1.113 -1.920 4.426 74 HG LEU 10 HG LEU 10 -0.759 -0.549 6.366 75 1HD1 LEU 10 HD11 LEU 10 -1.272 1.645 5.930 76 2HD1 LEU 10 HD12 LEU 10 -2.787 1.201 6.718 77 3HD1 LEU 10 HD13 LEU 10 -2.683 1.229 4.958 78 1HD2 LEU 10 HD21 LEU 10 -3.656 -1.364 6.011 79 2HD2 LEU 10 HD22 LEU 10 -2.996 -0.820 7.555 80 3HD2 LEU 10 HD23 LEU 10 -2.367 -2.281 6.792 81 H PHE 11 HN PHE 11 -1.139 -1.420 1.553 82 HA PHE 11 HA PHE 11 1.301 -2.890 1.439 83 1HB PHE 11 HB2 PHE 11 -1.103 -2.926 0.191 84 2HB PHE 11 HB1 PHE 11 -0.123 -2.192 -1.079 85 HD1 PHE 11 HD1 PHE 11 0.851 -3.657 -2.595 86 HD2 PHE 11 HD2 PHE 11 0.214 -4.955 1.450 87 HE1 PHE 11 HE1 PHE 11 1.790 -5.882 -3.161 88 HE2 PHE 11 HE2 PHE 11 1.153 -7.179 0.884 89 HZ PHE 11 HZ PHE 11 1.941 -7.643 -1.421 90 H ASN 12 HN ASN 12 0.301 -0.036 -0.497 91 HA ASN 12 HA ASN 12 2.712 0.359 -1.910 92 1HB ASN 12 HB2 ASN 12 0.468 1.487 -2.194 93 2HB ASN 12 HB1 ASN 12 0.858 2.483 -0.790 94 1HD2 ASN 12 HD21 ASN 12 0.589 4.180 -2.709 95 2HD2 ASN 12 HD22 ASN 12 2.023 4.584 -3.524 96 H ARG 13 HN ARG 13 1.715 1.904 1.172 97 HA ARG 13 HA ARG 13 4.127 3.315 1.671 98 1HB ARG 13 HB2 ARG 13 1.912 3.550 2.823 99 2HB ARG 13 HB1 ARG 13 2.223 2.024 3.651 100 1HG ARG 13 HG2 ARG 13 4.290 4.193 3.784 101 2HG ARG 13 HG1 ARG 13 2.859 4.312 4.810 102 1HD ARG 13 HD2 ARG 13 3.853 1.614 4.940 103 2HD ARG 13 HD1 ARG 13 5.181 2.740 5.285 104 HE ARG 13 HE ARG 13 3.368 3.881 6.821 105 1HH1 ARG 13 HH11 ARG 13 2.060 1.019 5.996 106 2HH1 ARG 13 HH12 ARG 13 2.111 0.285 7.563 107 1HH2 ARG 13 HH21 ARG 13 4.159 2.725 8.932 108 2HH2 ARG 13 HH22 ARG 13 3.300 1.250 9.226 109 H SER 14 HN SER 14 3.113 0.179 3.097 110 HA SER 14 HA SER 14 5.504 -0.477 4.419 111 1HB SER 14 HB2 SER 14 3.655 -2.344 2.902 112 2HB SER 14 HB1 SER 14 4.651 -2.757 4.295 113 HG SER 14 HG SER 14 2.205 -1.586 4.187 114 H PHE 15 HN PHE 15 4.585 -1.255 1.044 115 HA PHE 15 HA PHE 15 6.939 -2.660 0.308 116 1HB PHE 15 HB2 PHE 15 4.861 -2.560 -1.003 117 2HB PHE 15 HB1 PHE 15 5.106 -0.836 -1.286 118 HD1 PHE 15 HD1 PHE 15 7.398 -0.163 -2.375 119 HD2 PHE 15 HD2 PHE 15 5.706 -4.108 -2.542 120 HE1 PHE 15 HE1 PHE 15 8.811 -0.685 -4.345 121 HE2 PHE 15 HE2 PHE 15 7.119 -4.631 -4.512 122 HZ PHE 15 HZ PHE 15 8.671 -2.919 -5.414 123 H THR 16 HN THR 16 6.176 0.799 -0.287 124 HA THR 16 HA THR 16 8.654 1.602 -1.346 125 HB THR 16 HB THR 16 7.871 3.797 0.006 126 HG1 THR 16 HG1 THR 16 5.511 3.513 0.149 127 1HG2 THR 16 HG21 THR 16 6.956 2.457 -2.472 128 2HG2 THR 16 HG22 THR 16 7.616 4.077 -2.244 129 3HG2 THR 16 HG23 THR 16 5.919 3.755 -1.880 130 H GLN 17 HN GLN 17 7.640 1.717 2.096 131 HA GLN 17 HA GLN 17 10.148 2.602 3.139 132 1HB GLN 17 HB2 GLN 17 7.567 1.877 4.029 133 2HB GLN 17 HB1 GLN 17 8.689 0.853 4.928 134 1HG GLN 17 HG2 GLN 17 9.208 3.806 4.634 135 2HG GLN 17 HG1 GLN 17 8.129 3.204 5.893 136 1HE2 GLN 17 HE21 GLN 17 9.132 1.377 7.302 137 2HE2 GLN 17 HE22 GLN 17 10.783 1.514 7.672 138 H ALA 18 HN ALA 18 8.779 -0.711 2.966 139 HA ALA 18 HA ALA 18 11.083 -2.055 3.997 140 1HB ALA 18 HB1 ALA 18 9.008 -3.199 3.943 141 2HB ALA 18 HB2 ALA 18 9.955 -3.991 2.683 142 3HB ALA 18 HB3 ALA 18 8.735 -2.795 2.248 143 H LEU 19 HN LEU 19 9.971 -2.202 0.596 144 HA LEU 19 HA LEU 19 12.471 -3.061 -0.469 145 1HB LEU 19 HB2 LEU 19 9.926 -1.845 -1.467 146 2HB LEU 19 HB1 LEU 19 11.292 -1.921 -2.579 147 HG LEU 19 HG LEU 19 11.245 -4.434 -1.343 148 1HD1 LEU 19 HD11 LEU 19 9.063 -4.291 -0.485 149 2HD1 LEU 19 HD12 LEU 19 8.814 -5.063 -2.052 150 3HD1 LEU 19 HD13 LEU 19 8.486 -3.341 -1.854 151 1HD2 LEU 19 HD21 LEU 19 11.451 -3.425 -3.856 152 2HD2 LEU 19 HD22 LEU 19 9.835 -4.125 -3.937 153 3HD2 LEU 19 HD23 LEU 19 11.217 -5.140 -3.522 154 H GLY 20 HN GLY 20 11.548 0.017 0.723 155 1HA GLY 20 HA2 GLY 20 13.204 1.634 -1.034 156 2HA GLY 20 HA1 GLY 20 12.498 2.164 0.495 157 H LYS 21 HN LYS 21 14.057 -0.679 1.191 158 HA LYS 21 HA LYS 21 16.255 0.716 2.526 159 1HB LYS 21 HB2 LYS 21 15.040 -1.183 3.516 160 2HB LYS 21 HB1 LYS 21 15.545 -2.216 2.177 161 1HG LYS 21 HG2 LYS 21 17.025 -2.621 4.061 162 2HG LYS 21 HG1 LYS 21 17.932 -1.769 2.810 163 1HD LYS 21 HD2 LYS 21 18.304 -0.011 4.169 164 2HD LYS 21 HD1 LYS 21 16.595 0.101 4.587 165 1HE LYS 21 HE2 LYS 21 17.662 -0.399 6.656 166 2HE LYS 21 HE1 LYS 21 17.060 -1.974 6.103 167 1HZ LYS 21 HZ1 LYS 21 19.716 -0.994 5.270 168 2HZ LYS 21 HZ2 LYS 21 19.134 -2.589 5.307 169 3HZ LYS 21 HZ3 LYS 21 19.524 -1.790 6.755 170 1HN NH2 22 1HN NH2 22 18.342 0.968 1.660 171 2HN NH2 22 2HN NH2 22 18.934 0.156 0.293 Start of MODEL 19 1 1H SER 1 1H SER 1 -16.677 1.395 5.320 2 2H SER 1 2H SER 1 -15.743 0.791 6.605 3 3H SER 1 3H SER 1 -17.113 -0.061 6.074 4 HA SER 1 HA SER 1 -14.664 -0.725 5.319 5 1HB SER 1 HB2 SER 1 -17.161 -1.537 4.891 6 2HB SER 1 HB1 SER 1 -16.886 -0.814 3.308 7 HG SER 1 HG SER 1 -15.927 -2.644 2.906 8 H GLY 2 HN GLY 2 -16.734 1.185 3.093 9 1HA GLY 2 HA2 GLY 2 -16.119 2.890 1.581 10 2HA GLY 2 HA1 GLY 2 -14.513 2.899 2.312 11 H SER 3 HN SER 3 -13.128 0.937 1.747 12 HA SER 3 HA SER 3 -13.706 -0.698 -0.540 13 1HB SER 3 HB2 SER 3 -13.554 1.837 -1.312 14 2HB SER 3 HB1 SER 3 -11.821 1.528 -1.242 15 HG SER 3 HG SER 3 -12.029 0.480 -3.041 16 H LEU 4 HN LEU 4 -11.196 -0.997 -1.658 17 HA LEU 4 HA LEU 4 -9.691 -2.202 0.567 18 1HB LEU 4 HB2 LEU 4 -9.614 -2.181 -2.439 19 2HB LEU 4 HB1 LEU 4 -8.231 -2.803 -1.540 20 HG LEU 4 HG LEU 4 -11.010 -3.739 -0.867 21 1HD1 LEU 4 HD11 LEU 4 -9.318 -5.298 -2.781 22 2HD1 LEU 4 HD12 LEU 4 -10.266 -3.953 -3.414 23 3HD1 LEU 4 HD13 LEU 4 -11.071 -5.288 -2.587 24 1HD2 LEU 4 HD21 LEU 4 -9.190 -4.327 0.657 25 2HD2 LEU 4 HD22 LEU 4 -8.229 -4.943 -0.687 26 3HD2 LEU 4 HD23 LEU 4 -9.711 -5.773 -0.209 27 H SER 5 HN SER 5 -9.874 0.879 -0.207 28 HA SER 5 HA SER 5 -7.405 1.899 -1.022 29 1HB SER 5 HB2 SER 5 -9.771 2.782 0.224 30 2HB SER 5 HB1 SER 5 -8.465 3.332 1.269 31 HG SER 5 HG SER 5 -8.151 3.621 -1.488 32 H THR 6 HN THR 6 -8.339 1.253 2.386 33 HA THR 6 HA THR 6 -5.881 1.785 3.626 34 HB THR 6 HB THR 6 -7.998 1.281 4.774 35 HG1 THR 6 HG1 THR 6 -5.686 -0.182 5.286 36 1HG2 THR 6 HG21 THR 6 -7.560 -1.615 4.036 37 2HG2 THR 6 HG22 THR 6 -8.595 -0.550 3.086 38 3HG2 THR 6 HG23 THR 6 -8.985 -0.884 4.773 39 H PHE 7 HN PHE 7 -6.969 -1.280 2.138 40 HA PHE 7 HA PHE 7 -4.630 -2.809 2.765 41 1HB PHE 7 HB2 PHE 7 -7.100 -3.205 1.624 42 2HB PHE 7 HB1 PHE 7 -6.031 -3.379 0.230 43 HD1 PHE 7 HD1 PHE 7 -3.600 -4.514 1.397 44 HD2 PHE 7 HD2 PHE 7 -7.717 -5.383 2.258 45 HE1 PHE 7 HE1 PHE 7 -2.959 -6.782 2.169 46 HE2 PHE 7 HE2 PHE 7 -7.076 -7.651 3.030 47 HZ PHE 7 HZ PHE 7 -4.697 -8.351 2.985 48 H PHE 8 HN PHE 8 -5.554 -1.463 -0.433 49 HA PHE 8 HA PHE 8 -3.143 -1.848 -1.789 50 1HB PHE 8 HB2 PHE 8 -5.352 0.182 -1.858 51 2HB PHE 8 HB1 PHE 8 -3.949 0.425 -2.898 52 HD1 PHE 8 HD1 PHE 8 -5.152 -2.914 -1.885 53 HD2 PHE 8 HD2 PHE 8 -5.114 0.047 -4.996 54 HE1 PHE 8 HE1 PHE 8 -6.046 -4.585 -3.485 55 HE2 PHE 8 HE2 PHE 8 -6.007 -1.623 -6.596 56 HZ PHE 8 HZ PHE 8 -6.474 -3.939 -5.842 57 H ARG 9 HN ARG 9 -4.065 1.093 0.052 58 HA ARG 9 HA ARG 9 -1.636 2.513 -0.230 59 1HB ARG 9 HB2 ARG 9 -3.797 2.358 1.872 60 2HB ARG 9 HB1 ARG 9 -2.443 3.476 2.045 61 1HG ARG 9 HG2 ARG 9 -3.590 3.574 -0.633 62 2HG ARG 9 HG1 ARG 9 -4.787 3.948 0.607 63 1HD ARG 9 HD2 ARG 9 -2.762 5.428 1.570 64 2HD ARG 9 HD1 ARG 9 -2.319 5.448 -0.149 65 HE ARG 9 HE ARG 9 -5.101 5.904 -0.032 66 1HH1 ARG 9 HH21 ARG 9 -3.921 7.420 2.424 67 2HH1 ARG 9 HH22 ARG 9 -3.766 9.007 1.748 68 1HH2 ARG 9 HH11 ARG 9 -4.150 7.936 -1.528 69 2HH2 ARG 9 HH12 ARG 9 -3.896 9.299 -0.490 70 H LEU 10 HN LEU 10 -2.628 0.407 2.505 71 HA LEU 10 HA LEU 10 -0.267 0.483 4.015 72 1HB LEU 10 HB2 LEU 10 -2.340 -0.599 4.718 73 2HB LEU 10 HB1 LEU 10 -2.183 -1.799 3.435 74 HG LEU 10 HG LEU 10 0.244 -1.711 4.997 75 1HD1 LEU 10 HD11 LEU 10 -2.356 -1.734 6.469 76 2HD1 LEU 10 HD12 LEU 10 -0.783 -1.122 6.979 77 3HD1 LEU 10 HD13 LEU 10 -1.103 -2.855 7.002 78 1HD2 LEU 10 HD21 LEU 10 -1.521 -4.049 5.249 79 2HD2 LEU 10 HD22 LEU 10 0.115 -3.942 4.597 80 3HD2 LEU 10 HD23 LEU 10 -1.269 -3.539 3.579 81 H PHE 11 HN PHE 11 -1.055 -1.748 1.324 82 HA PHE 11 HA PHE 11 1.390 -3.220 1.359 83 1HB PHE 11 HB2 PHE 11 -0.993 -3.257 0.012 84 2HB PHE 11 HB1 PHE 11 0.100 -2.694 -1.251 85 HD1 PHE 11 HD1 PHE 11 -0.296 -5.352 1.349 86 HD2 PHE 11 HD2 PHE 11 1.514 -4.206 -2.373 87 HE1 PHE 11 HE1 PHE 11 0.556 -7.662 1.053 88 HE2 PHE 11 HE2 PHE 11 2.366 -6.517 -2.670 89 HZ PHE 11 HZ PHE 11 1.887 -8.244 -0.957 90 H ASN 12 HN ASN 12 0.436 -0.410 -0.659 91 HA ASN 12 HA ASN 12 2.913 -0.101 -2.028 92 1HB ASN 12 HB2 ASN 12 0.877 1.980 -1.164 93 2HB ASN 12 HB1 ASN 12 2.025 2.147 -2.493 94 1HD2 ASN 12 HD21 ASN 12 1.830 -0.407 -3.692 95 2HD2 ASN 12 HD22 ASN 12 0.258 -0.623 -4.294 96 H ARG 13 HN ARG 13 1.713 1.667 0.857 97 HA ARG 13 HA ARG 13 4.040 3.175 1.395 98 1HB ARG 13 HB2 ARG 13 1.543 2.731 2.503 99 2HB ARG 13 HB1 ARG 13 2.630 2.114 3.748 100 1HG ARG 13 HG2 ARG 13 3.308 4.735 2.483 101 2HG ARG 13 HG1 ARG 13 1.976 4.698 3.639 102 1HD ARG 13 HD2 ARG 13 3.383 3.895 5.395 103 2HD ARG 13 HD1 ARG 13 4.686 3.489 4.260 104 HE ARG 13 HE ARG 13 4.371 6.046 5.418 105 1HH1 ARG 13 HH21 ARG 13 6.746 5.405 3.792 106 2HH1 ARG 13 HH22 ARG 13 6.551 6.417 2.400 107 1HH2 ARG 13 HH11 ARG 13 3.183 7.012 2.977 108 2HH2 ARG 13 HH12 ARG 13 4.533 7.327 1.938 109 H SER 14 HN SER 14 3.113 0.028 2.858 110 HA SER 14 HA SER 14 5.485 -0.424 4.332 111 1HB SER 14 HB2 SER 14 4.636 -2.625 4.516 112 2HB SER 14 HB1 SER 14 3.198 -1.658 4.204 113 HG SER 14 HG SER 14 3.327 -2.252 2.037 114 H PHE 15 HN PHE 15 4.728 -1.213 0.937 115 HA PHE 15 HA PHE 15 7.112 -2.674 0.346 116 1HB PHE 15 HB2 PHE 15 5.184 -2.723 -1.099 117 2HB PHE 15 HB1 PHE 15 5.218 -0.970 -1.294 118 HD1 PHE 15 HD1 PHE 15 6.672 -4.155 -2.348 119 HD2 PHE 15 HD2 PHE 15 7.019 0.119 -2.609 120 HE1 PHE 15 HE1 PHE 15 8.189 -4.396 -4.295 121 HE2 PHE 15 HE2 PHE 15 8.537 -0.123 -4.555 122 HZ PHE 15 HZ PHE 15 9.123 -2.381 -5.398 123 H THR 16 HN THR 16 6.336 0.781 -0.237 124 HA THR 16 HA THR 16 8.934 1.508 -1.205 125 HB THR 16 HB THR 16 7.876 3.788 -0.116 126 HG1 THR 16 HG1 THR 16 5.533 3.331 -0.615 127 1HG2 THR 16 HG21 THR 16 7.306 4.295 -2.291 128 2HG2 THR 16 HG22 THR 16 6.557 2.723 -2.571 129 3HG2 THR 16 HG23 THR 16 8.314 2.877 -2.586 130 H GLN 17 HN GLN 17 7.474 1.765 2.055 131 HA GLN 17 HA GLN 17 9.700 2.968 3.365 132 1HB GLN 17 HB2 GLN 17 7.386 2.753 4.240 133 2HB GLN 17 HB1 GLN 17 7.619 1.012 4.400 134 1HG GLN 17 HG2 GLN 17 9.543 1.455 5.934 135 2HG GLN 17 HG1 GLN 17 9.172 3.178 5.846 136 1HE2 GLN 17 HE21 GLN 17 8.722 3.056 8.231 137 2HE2 GLN 17 HE22 GLN 17 7.230 2.447 8.765 138 H ALA 18 HN ALA 18 8.871 -0.468 2.852 139 HA ALA 18 HA ALA 18 11.109 -1.522 4.345 140 1HB ALA 18 HB1 ALA 18 10.386 -3.615 3.356 141 2HB ALA 18 HB2 ALA 18 9.546 -2.762 2.060 142 3HB ALA 18 HB3 ALA 18 8.944 -2.666 3.714 143 H LEU 19 HN LEU 19 10.538 -1.419 0.801 144 HA LEU 19 HA LEU 19 13.091 -2.236 -0.050 145 1HB LEU 19 HB2 LEU 19 11.030 -1.877 -1.425 146 2HB LEU 19 HB1 LEU 19 11.280 -0.136 -1.285 147 HG LEU 19 HG LEU 19 13.739 -0.897 -2.139 148 1HD1 LEU 19 HD11 LEU 19 13.263 -2.521 -4.046 149 2HD1 LEU 19 HD12 LEU 19 11.731 -2.873 -3.247 150 3HD1 LEU 19 HD13 LEU 19 13.253 -3.225 -2.429 151 1HD2 LEU 19 HD21 LEU 19 12.122 0.828 -3.075 152 2HD2 LEU 19 HD22 LEU 19 11.405 -0.473 -4.026 153 3HD2 LEU 19 HD23 LEU 19 13.089 -0.017 -4.284 154 H GLY 20 HN GLY 20 12.141 0.758 1.437 155 1HA GLY 20 HA2 GLY 20 14.401 2.314 0.445 156 2HA GLY 20 HA1 GLY 20 13.303 2.795 1.742 157 H LYS 21 HN LYS 21 14.284 -0.280 2.509 158 HA LYS 21 HA LYS 21 16.738 0.664 3.944 159 1HB LYS 21 HB2 LYS 21 14.833 0.828 5.454 160 2HB LYS 21 HB1 LYS 21 14.319 -0.809 5.038 161 1HG LYS 21 HG2 LYS 21 15.789 -1.744 6.479 162 2HG LYS 21 HG1 LYS 21 17.104 -0.702 5.930 163 1HD LYS 21 HD2 LYS 21 16.624 0.957 7.482 164 2HD LYS 21 HD1 LYS 21 14.926 0.493 7.608 165 1HE LYS 21 HE2 LYS 21 17.025 -1.460 8.516 166 2HE LYS 21 HE1 LYS 21 16.576 -0.111 9.579 167 1HZ LYS 21 HZ1 LYS 21 14.839 -2.225 8.458 168 2HZ LYS 21 HZ2 LYS 21 14.191 -0.746 8.987 169 3HZ LYS 21 HZ3 LYS 21 15.016 -1.754 10.077 170 1HN NH2 22 1HN NH2 22 15.107 -2.451 4.424 171 2HN NH2 22 2HN NH2 22 16.286 -3.399 3.653 Start of MODEL 20 1 1H SER 1 1H SER 1 -14.764 1.303 8.279 2 2H SER 1 2H SER 1 -14.713 0.080 7.101 3 3H SER 1 3H SER 1 -16.192 0.809 7.508 4 HA SER 1 HA SER 1 -15.769 1.986 5.616 5 1HB SER 1 HB2 SER 1 -15.783 3.396 7.725 6 2HB SER 1 HB1 SER 1 -14.023 3.402 7.651 7 HG SER 1 HG SER 1 -14.620 4.078 5.298 8 H GLY 2 HN GLY 2 -14.468 0.561 4.271 9 1HA GLY 2 HA2 GLY 2 -12.315 1.315 2.955 10 2HA GLY 2 HA1 GLY 2 -11.520 0.912 4.478 11 H SER 3 HN SER 3 -12.374 -0.326 1.498 12 HA SER 3 HA SER 3 -12.378 -3.142 2.535 13 1HB SER 3 HB2 SER 3 -13.571 -1.775 0.120 14 2HB SER 3 HB1 SER 3 -13.394 -3.526 0.187 15 HG SER 3 HG SER 3 -15.280 -3.327 1.148 16 H LEU 4 HN LEU 4 -11.273 -1.158 -0.243 17 HA LEU 4 HA LEU 4 -8.946 -3.034 -0.519 18 1HB LEU 4 HB2 LEU 4 -10.882 -2.683 -2.307 19 2HB LEU 4 HB1 LEU 4 -9.931 -1.257 -2.724 20 HG LEU 4 HG LEU 4 -7.951 -2.635 -3.090 21 1HD1 LEU 4 HD11 LEU 4 -7.926 -4.460 -1.707 22 2HD1 LEU 4 HD12 LEU 4 -8.657 -5.248 -3.105 23 3HD1 LEU 4 HD13 LEU 4 -9.674 -4.672 -1.784 24 1HD2 LEU 4 HD21 LEU 4 -9.236 -4.337 -4.794 25 2HD2 LEU 4 HD22 LEU 4 -8.945 -2.633 -5.148 26 3HD2 LEU 4 HD23 LEU 4 -10.505 -3.145 -4.502 27 H SER 5 HN SER 5 -9.994 0.368 -0.818 28 HA SER 5 HA SER 5 -7.628 1.675 -1.439 29 1HB SER 5 HB2 SER 5 -9.866 2.285 0.496 30 2HB SER 5 HB1 SER 5 -8.583 3.451 0.186 31 HG SER 5 HG SER 5 -10.726 3.107 -1.224 32 H THR 6 HN THR 6 -8.661 1.231 1.967 33 HA THR 6 HA THR 6 -6.337 1.914 3.296 34 HB THR 6 HB THR 6 -8.175 -0.445 3.824 35 HG1 THR 6 HG1 THR 6 -9.551 1.008 4.426 36 1HG2 THR 6 HG21 THR 6 -6.615 1.172 5.843 37 2HG2 THR 6 HG22 THR 6 -5.974 -0.308 5.129 38 3HG2 THR 6 HG23 THR 6 -7.452 -0.360 6.090 39 H PHE 7 HN PHE 7 -7.077 -1.457 2.299 40 HA PHE 7 HA PHE 7 -4.615 -2.647 2.903 41 1HB PHE 7 HB2 PHE 7 -6.970 -3.152 1.318 42 2HB PHE 7 HB1 PHE 7 -5.547 -3.709 0.438 43 HD1 PHE 7 HD1 PHE 7 -5.393 -6.029 0.713 44 HD2 PHE 7 HD2 PHE 7 -6.287 -3.555 4.109 45 HE1 PHE 7 HE1 PHE 7 -5.248 -8.012 2.195 46 HE2 PHE 7 HE2 PHE 7 -6.142 -5.538 5.591 47 HZ PHE 7 HZ PHE 7 -5.621 -7.766 4.635 48 H PHE 8 HN PHE 8 -5.548 -1.135 -0.215 49 HA PHE 8 HA PHE 8 -3.124 -1.485 -1.609 50 1HB PHE 8 HB2 PHE 8 -5.573 -0.169 -1.909 51 2HB PHE 8 HB1 PHE 8 -4.374 1.118 -2.035 52 HD1 PHE 8 HD1 PHE 8 -4.470 -2.488 -3.083 53 HD2 PHE 8 HD2 PHE 8 -3.856 1.599 -4.253 54 HE1 PHE 8 HE1 PHE 8 -3.914 -3.230 -5.385 55 HE2 PHE 8 HE2 PHE 8 -3.300 0.857 -6.553 56 HZ PHE 8 HZ PHE 8 -3.330 -1.557 -7.119 57 H ARG 9 HN ARG 9 -4.104 1.384 0.316 58 HA ARG 9 HA ARG 9 -1.695 2.841 0.124 59 1HB ARG 9 HB2 ARG 9 -3.986 3.443 1.115 60 2HB ARG 9 HB1 ARG 9 -3.441 2.641 2.587 61 1HG ARG 9 HG2 ARG 9 -1.364 4.398 1.671 62 2HG ARG 9 HG1 ARG 9 -2.879 5.299 1.749 63 1HD ARG 9 HD2 ARG 9 -2.005 3.511 4.029 64 2HD ARG 9 HD1 ARG 9 -1.492 5.206 3.924 65 HE ARG 9 HE ARG 9 -4.321 5.021 3.455 66 1HH1 ARG 9 HH21 ARG 9 -1.866 5.651 5.721 67 2HH1 ARG 9 HH22 ARG 9 -2.935 5.773 7.078 68 1HH2 ARG 9 HH11 ARG 9 -5.744 4.803 5.291 69 2HH2 ARG 9 HH12 ARG 9 -5.130 5.293 6.835 70 H LEU 10 HN LEU 10 -2.655 0.468 2.634 71 HA LEU 10 HA LEU 10 -0.309 0.568 4.213 72 1HB LEU 10 HB2 LEU 10 -2.652 -0.696 4.346 73 2HB LEU 10 HB1 LEU 10 -1.706 -2.025 3.675 74 HG LEU 10 HG LEU 10 -0.003 -1.531 5.539 75 1HD1 LEU 10 HD11 LEU 10 -0.433 0.248 6.848 76 2HD1 LEU 10 HD12 LEU 10 -1.880 -0.571 7.433 77 3HD1 LEU 10 HD13 LEU 10 -1.978 0.507 6.040 78 1HD2 LEU 10 HD21 LEU 10 -1.801 -2.569 7.265 79 2HD2 LEU 10 HD22 LEU 10 -1.088 -3.514 5.957 80 3HD2 LEU 10 HD23 LEU 10 -2.688 -2.800 5.757 81 H PHE 11 HN PHE 11 -1.063 -1.677 1.516 82 HA PHE 11 HA PHE 11 1.411 -3.057 1.463 83 1HB PHE 11 HB2 PHE 11 -0.950 -2.635 -0.194 84 2HB PHE 11 HB1 PHE 11 0.500 -2.836 -1.178 85 HD1 PHE 11 HD1 PHE 11 2.170 -4.667 0.273 86 HD2 PHE 11 HD2 PHE 11 -2.108 -4.663 -0.109 87 HE1 PHE 11 HE1 PHE 11 2.129 -7.108 0.709 88 HE2 PHE 11 HE2 PHE 11 -2.149 -7.104 0.326 89 HZ PHE 11 HZ PHE 11 -0.030 -8.326 0.735 90 H ASN 12 HN ASN 12 0.412 -0.225 -0.504 91 HA ASN 12 HA ASN 12 2.843 0.202 -1.874 92 1HB ASN 12 HB2 ASN 12 0.538 1.298 -2.116 93 2HB ASN 12 HB1 ASN 12 1.016 2.360 -0.791 94 1HD2 ASN 12 HD21 ASN 12 1.215 4.300 -2.056 95 2HD2 ASN 12 HD22 ASN 12 2.390 4.483 -3.268 96 H ARG 13 HN ARG 13 1.798 1.514 1.289 97 HA ARG 13 HA ARG 13 4.157 3.054 1.805 98 1HB ARG 13 HB2 ARG 13 1.987 1.776 3.473 99 2HB ARG 13 HB1 ARG 13 3.282 2.709 4.222 100 1HG ARG 13 HG2 ARG 13 2.063 4.045 1.904 101 2HG ARG 13 HG1 ARG 13 0.939 3.776 3.238 102 1HD ARG 13 HD2 ARG 13 2.254 5.039 4.756 103 2HD ARG 13 HD1 ARG 13 3.687 4.955 3.711 104 HE ARG 13 HE ARG 13 1.235 6.332 2.715 105 1HH1 ARG 13 HH11 ARG 13 3.950 7.029 4.533 106 2HH1 ARG 13 HH12 ARG 13 4.562 8.264 3.484 107 1HH2 ARG 13 HH21 ARG 13 2.276 7.620 0.958 108 2HH2 ARG 13 HH22 ARG 13 3.614 8.598 1.459 109 H SER 14 HN SER 14 3.232 -0.224 2.931 110 HA SER 14 HA SER 14 5.571 -0.842 4.388 111 1HB SER 14 HB2 SER 14 3.808 -2.355 4.585 112 2HB SER 14 HB1 SER 14 3.481 -2.353 2.854 113 HG SER 14 HG SER 14 5.206 -3.670 2.527 114 H PHE 15 HN PHE 15 4.886 -1.424 0.919 115 HA PHE 15 HA PHE 15 7.429 -2.602 0.298 116 1HB PHE 15 HB2 PHE 15 4.991 -1.757 -0.989 117 2HB PHE 15 HB1 PHE 15 6.372 -1.236 -1.955 118 HD1 PHE 15 HD1 PHE 15 4.922 -4.204 -0.210 119 HD2 PHE 15 HD2 PHE 15 7.575 -2.780 -3.274 120 HE1 PHE 15 HE1 PHE 15 5.236 -6.528 -1.018 121 HE2 PHE 15 HE2 PHE 15 7.888 -5.104 -4.082 122 HZ PHE 15 HZ PHE 15 6.719 -6.977 -2.955 123 H THR 16 HN THR 16 6.224 0.724 -0.324 124 HA THR 16 HA THR 16 8.565 1.871 -1.350 125 HB THR 16 HB THR 16 6.386 2.938 0.466 126 HG1 THR 16 HG1 THR 16 5.953 3.940 -1.718 127 1HG2 THR 16 HG21 THR 16 7.681 4.946 -1.157 128 2HG2 THR 16 HG22 THR 16 8.861 4.163 -0.105 129 3HG2 THR 16 HG23 THR 16 7.430 4.925 0.589 130 H GLN 17 HN GLN 17 7.643 1.451 2.076 131 HA GLN 17 HA GLN 17 10.066 2.710 3.094 132 1HB GLN 17 HB2 GLN 17 7.558 2.016 4.030 133 2HB GLN 17 HB1 GLN 17 8.604 0.841 4.830 134 1HG GLN 17 HG2 GLN 17 8.477 2.788 6.252 135 2HG GLN 17 HG1 GLN 17 10.085 2.761 5.529 136 1HE2 GLN 17 HE21 GLN 17 6.832 3.985 4.516 137 2HE2 GLN 17 HE22 GLN 17 7.407 5.495 3.996 138 H ALA 18 HN ALA 18 8.892 -0.677 3.293 139 HA ALA 18 HA ALA 18 11.146 -1.951 4.274 140 1HB ALA 18 HB1 ALA 18 9.039 -2.651 2.250 141 2HB ALA 18 HB2 ALA 18 9.266 -3.284 3.880 142 3HB ALA 18 HB3 ALA 18 10.332 -3.805 2.576 143 H LEU 19 HN LEU 19 10.514 -1.407 0.782 144 HA LEU 19 HA LEU 19 12.925 -2.377 -0.269 145 1HB LEU 19 HB2 LEU 19 10.674 -1.039 -1.146 146 2HB LEU 19 HB1 LEU 19 11.955 0.131 -1.463 147 HG LEU 19 HG LEU 19 13.146 -2.148 -2.348 148 1HD1 LEU 19 HD11 LEU 19 10.210 -2.404 -3.066 149 2HD1 LEU 19 HD12 LEU 19 11.043 -3.430 -1.898 150 3HD1 LEU 19 HD13 LEU 19 11.518 -3.461 -3.596 151 1HD2 LEU 19 HD21 LEU 19 11.490 -0.017 -3.650 152 2HD2 LEU 19 HD22 LEU 19 12.047 -1.364 -4.643 153 3HD2 LEU 19 HD23 LEU 19 13.217 -0.344 -3.807 154 H GLY 20 HN GLY 20 12.276 1.085 0.429 155 1HA GLY 20 HA2 GLY 20 13.836 2.455 1.733 156 2HA GLY 20 HA1 GLY 20 15.132 1.353 1.259 157 H LYS 21 HN LYS 21 13.283 1.763 -1.464 158 HA LYS 21 HA LYS 21 15.146 3.871 -2.477 159 1HB LYS 21 HB2 LYS 21 13.772 1.454 -3.532 160 2HB LYS 21 HB1 LYS 21 13.949 2.798 -4.663 161 1HG LYS 21 HG2 LYS 21 16.288 1.855 -3.011 162 2HG LYS 21 HG1 LYS 21 15.873 1.056 -4.528 163 1HD LYS 21 HD2 LYS 21 15.765 3.704 -5.249 164 2HD LYS 21 HD1 LYS 21 17.079 3.706 -4.072 165 1HE LYS 21 HE2 LYS 21 17.517 1.409 -5.646 166 2HE LYS 21 HE1 LYS 21 17.098 2.699 -6.791 167 1HZ LYS 21 HZ1 LYS 21 19.334 2.534 -4.922 168 2HZ LYS 21 HZ2 LYS 21 18.614 4.060 -5.116 169 3HZ LYS 21 HZ3 LYS 21 19.260 3.246 -6.459 170 1HN NH2 22 1HN NH2 22 13.623 5.549 -1.398 171 2HN NH2 22 2HN NH2 22 12.232 6.015 -2.251 Start of MODEL 21 1 1H SER 1 1H SER 1 -17.991 -6.288 3.907 2 2H SER 1 2H SER 1 -17.728 -4.638 4.215 3 3H SER 1 3H SER 1 -17.743 -5.753 5.497 4 HA SER 1 HA SER 1 -15.494 -5.576 5.259 5 1HB SER 1 HB2 SER 1 -16.660 -7.851 4.454 6 2HB SER 1 HB1 SER 1 -15.864 -7.427 2.941 7 HG SER 1 HG SER 1 -14.011 -7.017 4.587 8 H GLY 2 HN GLY 2 -14.047 -6.254 2.771 9 1HA GLY 2 HA2 GLY 2 -13.758 -5.239 0.539 10 2HA GLY 2 HA1 GLY 2 -14.567 -3.796 1.152 11 H SER 3 HN SER 3 -13.366 -2.283 2.336 12 HA SER 3 HA SER 3 -11.401 -1.131 2.974 13 1HB SER 3 HB2 SER 3 -11.270 -2.623 4.779 14 2HB SER 3 HB1 SER 3 -11.019 -4.017 3.733 15 HG SER 3 HG SER 3 -8.953 -3.651 3.803 16 H LEU 4 HN LEU 4 -11.451 -1.353 0.271 17 HA LEU 4 HA LEU 4 -9.141 -2.776 -0.812 18 1HB LEU 4 HB2 LEU 4 -11.295 -0.920 -1.748 19 2HB LEU 4 HB1 LEU 4 -9.871 -1.115 -2.770 20 HG LEU 4 HG LEU 4 -10.277 -3.683 -2.340 21 1HD1 LEU 4 HD11 LEU 4 -13.143 -2.815 -2.248 22 2HD1 LEU 4 HD12 LEU 4 -12.234 -2.880 -0.739 23 3HD1 LEU 4 HD13 LEU 4 -12.417 -4.333 -1.720 24 1HD2 LEU 4 HD21 LEU 4 -11.532 -3.784 -4.396 25 2HD2 LEU 4 HD22 LEU 4 -10.466 -2.384 -4.513 26 3HD2 LEU 4 HD23 LEU 4 -12.176 -2.161 -4.147 27 H SER 5 HN SER 5 -9.924 0.726 -0.743 28 HA SER 5 HA SER 5 -7.440 1.776 -1.428 29 1HB SER 5 HB2 SER 5 -9.428 2.729 0.659 30 2HB SER 5 HB1 SER 5 -8.188 3.739 -0.079 31 HG SER 5 HG SER 5 -9.167 3.167 -2.125 32 H THR 6 HN THR 6 -8.527 1.270 1.959 33 HA THR 6 HA THR 6 -6.178 1.855 3.326 34 HB THR 6 HB THR 6 -7.059 -0.105 4.842 35 HG1 THR 6 HG1 THR 6 -8.856 -1.035 4.182 36 1HG2 THR 6 HG21 THR 6 -8.425 2.452 4.080 37 2HG2 THR 6 HG22 THR 6 -7.612 2.027 5.586 38 3HG2 THR 6 HG23 THR 6 -9.211 1.371 5.231 39 H PHE 7 HN PHE 7 -7.066 -1.418 2.141 40 HA PHE 7 HA PHE 7 -4.669 -2.752 2.770 41 1HB PHE 7 HB2 PHE 7 -6.924 -3.577 1.822 42 2HB PHE 7 HB1 PHE 7 -6.264 -3.177 0.236 43 HD1 PHE 7 HD1 PHE 7 -4.717 -4.658 3.317 44 HD2 PHE 7 HD2 PHE 7 -5.632 -5.145 -0.852 45 HE1 PHE 7 HE1 PHE 7 -3.468 -6.799 3.294 46 HE2 PHE 7 HE2 PHE 7 -4.383 -7.287 -0.875 47 HZ PHE 7 HZ PHE 7 -3.300 -8.115 1.197 48 H PHE 8 HN PHE 8 -5.506 -1.292 -0.404 49 HA PHE 8 HA PHE 8 -3.038 -1.650 -1.699 50 1HB PHE 8 HB2 PHE 8 -5.397 -0.610 -2.354 51 2HB PHE 8 HB1 PHE 8 -4.570 0.909 -2.005 52 HD1 PHE 8 HD1 PHE 8 -1.771 0.065 -2.814 53 HD2 PHE 8 HD2 PHE 8 -5.578 -0.453 -4.736 54 HE1 PHE 8 HE1 PHE 8 -0.644 -0.040 -5.020 55 HE2 PHE 8 HE2 PHE 8 -4.449 -0.558 -6.942 56 HZ PHE 8 HZ PHE 8 -1.983 -0.352 -7.084 57 H ARG 9 HN ARG 9 -4.079 1.191 0.231 58 HA ARG 9 HA ARG 9 -1.676 2.684 0.046 59 1HB ARG 9 HB2 ARG 9 -3.878 2.416 2.098 60 2HB ARG 9 HB1 ARG 9 -2.568 3.579 2.305 61 1HG ARG 9 HG2 ARG 9 -3.993 3.510 -0.325 62 2HG ARG 9 HG1 ARG 9 -4.808 4.262 1.047 63 1HD ARG 9 HD2 ARG 9 -2.861 5.743 1.406 64 2HD ARG 9 HD1 ARG 9 -2.038 4.990 0.025 65 HE ARG 9 HE ARG 9 -4.624 6.486 -0.203 66 1HH1 ARG 9 HH21 ARG 9 -3.447 4.451 -2.291 67 2HH1 ARG 9 HH22 ARG 9 -2.824 5.571 -3.457 68 1HH2 ARG 9 HH11 ARG 9 -3.043 8.307 -1.339 69 2HH2 ARG 9 HH12 ARG 9 -2.595 7.754 -2.918 70 H LEU 10 HN LEU 10 -2.683 0.349 2.574 71 HA LEU 10 HA LEU 10 -0.371 0.478 4.198 72 1HB LEU 10 HB2 LEU 10 -2.743 -0.874 4.150 73 2HB LEU 10 HB1 LEU 10 -1.616 -2.176 3.772 74 HG LEU 10 HG LEU 10 -0.750 -0.389 5.958 75 1HD1 LEU 10 HD11 LEU 10 -3.260 -2.058 6.118 76 2HD1 LEU 10 HD12 LEU 10 -3.011 -0.397 6.656 77 3HD1 LEU 10 HD13 LEU 10 -2.283 -1.732 7.549 78 1HD2 LEU 10 HD21 LEU 10 0.085 -2.757 4.999 79 2HD2 LEU 10 HD22 LEU 10 -1.056 -3.346 6.207 80 3HD2 LEU 10 HD23 LEU 10 0.287 -2.312 6.694 81 H PHE 11 HN PHE 11 -1.065 -1.826 1.534 82 HA PHE 11 HA PHE 11 1.435 -3.172 1.556 83 1HB PHE 11 HB2 PHE 11 -0.908 -3.402 0.248 84 2HB PHE 11 HB1 PHE 11 0.044 -2.640 -1.027 85 HD1 PHE 11 HD1 PHE 11 2.748 -3.811 -0.054 86 HD2 PHE 11 HD2 PHE 11 -1.091 -5.568 -0.845 87 HE1 PHE 11 HE1 PHE 11 3.843 -5.983 -0.539 88 HE2 PHE 11 HE2 PHE 11 0.004 -7.741 -1.330 89 HZ PHE 11 HZ PHE 11 2.470 -7.948 -1.177 90 H ASN 12 HN ASN 12 0.391 -0.342 -0.377 91 HA ASN 12 HA ASN 12 2.818 0.049 -1.810 92 1HB ASN 12 HB2 ASN 12 0.767 1.151 -2.426 93 2HB ASN 12 HB1 ASN 12 0.631 1.909 -0.839 94 1HD2 ASN 12 HD21 ASN 12 0.539 3.870 -2.527 95 2HD2 ASN 12 HD22 ASN 12 2.034 4.608 -2.845 96 H ARG 13 HN ARG 13 1.710 1.595 1.233 97 HA ARG 13 HA ARG 13 4.026 3.153 1.738 98 1HB ARG 13 HB2 ARG 13 1.884 1.853 3.419 99 2HB ARG 13 HB1 ARG 13 3.170 2.794 4.176 100 1HG ARG 13 HG2 ARG 13 2.077 4.203 1.886 101 2HG ARG 13 HG1 ARG 13 0.805 3.798 3.040 102 1HD ARG 13 HD2 ARG 13 3.393 4.949 4.061 103 2HD ARG 13 HD1 ARG 13 2.156 6.027 3.383 104 HE ARG 13 HE ARG 13 1.133 4.051 5.301 105 1HH1 ARG 13 HH21 ARG 13 1.025 7.227 4.339 106 2HH1 ARG 13 HH22 ARG 13 0.920 7.907 5.929 107 1HH2 ARG 13 HH11 ARG 13 1.581 4.911 7.543 108 2HH2 ARG 13 HH12 ARG 13 1.234 6.596 7.742 109 H SER 14 HN SER 14 3.222 -0.118 2.978 110 HA SER 14 HA SER 14 5.627 -0.595 4.396 111 1HB SER 14 HB2 SER 14 3.936 -2.568 2.831 112 2HB SER 14 HB1 SER 14 4.935 -2.926 4.237 113 HG SER 14 HG SER 14 3.327 -2.319 5.429 114 H PHE 15 HN PHE 15 4.819 -1.350 0.991 115 HA PHE 15 HA PHE 15 7.292 -2.583 0.292 116 1HB PHE 15 HB2 PHE 15 5.263 -2.701 -1.060 117 2HB PHE 15 HB1 PHE 15 5.286 -0.954 -1.300 118 HD1 PHE 15 HD1 PHE 15 6.480 -0.007 -3.096 119 HD2 PHE 15 HD2 PHE 15 7.305 -4.046 -1.889 120 HE1 PHE 15 HE1 PHE 15 7.957 -0.295 -5.067 121 HE2 PHE 15 HE2 PHE 15 8.782 -4.333 -3.861 122 HZ PHE 15 HZ PHE 15 9.108 -2.458 -5.449 123 H THR 16 HN THR 16 6.234 0.799 -0.292 124 HA THR 16 HA THR 16 8.675 1.790 -1.321 125 HB THR 16 HB THR 16 6.485 3.062 0.348 126 HG1 THR 16 HG1 THR 16 6.991 3.208 -2.430 127 1HG2 THR 16 HG21 THR 16 9.022 4.129 -0.424 128 2HG2 THR 16 HG22 THR 16 7.688 4.957 0.379 129 3HG2 THR 16 HG23 THR 16 7.774 4.925 -1.383 130 H GLN 17 HN GLN 17 7.587 1.453 2.054 131 HA GLN 17 HA GLN 17 9.900 2.780 3.205 132 1HB GLN 17 HB2 GLN 17 7.643 1.022 4.157 133 2HB GLN 17 HB1 GLN 17 8.936 1.486 5.263 134 1HG GLN 17 HG2 GLN 17 8.055 3.798 3.782 135 2HG GLN 17 HG1 GLN 17 6.669 3.016 4.543 136 1HE2 GLN 17 HE21 GLN 17 7.813 5.582 5.397 137 2HE2 GLN 17 HE22 GLN 17 8.378 5.366 6.982 138 H ALA 18 HN ALA 18 8.914 -0.675 3.212 139 HA ALA 18 HA ALA 18 11.284 -1.772 4.259 140 1HB ALA 18 HB1 ALA 18 9.995 -3.276 2.070 141 2HB ALA 18 HB2 ALA 18 8.874 -2.653 3.280 142 3HB ALA 18 HB3 ALA 18 10.195 -3.716 3.765 143 H LEU 19 HN LEU 19 10.548 -0.769 0.938 144 HA LEU 19 HA LEU 19 12.830 -1.937 -0.343 145 1HB LEU 19 HB2 LEU 19 10.736 0.080 -0.858 146 2HB LEU 19 HB1 LEU 19 12.222 0.329 -1.774 147 HG LEU 19 HG LEU 19 10.584 -1.137 -2.966 148 1HD1 LEU 19 HD11 LEU 19 12.206 -2.815 -3.608 149 2HD1 LEU 19 HD12 LEU 19 13.070 -2.631 -2.081 150 3HD1 LEU 19 HD13 LEU 19 13.081 -1.323 -3.265 151 1HD2 LEU 19 HD21 LEU 19 10.504 -3.535 -1.982 152 2HD2 LEU 19 HD22 LEU 19 9.480 -2.310 -1.233 153 3HD2 LEU 19 HD23 LEU 19 10.998 -2.781 -0.467 154 H GLY 20 HN GLY 20 12.303 1.403 0.858 155 1HA GLY 20 HA2 GLY 20 15.195 1.953 0.554 156 2HA GLY 20 HA1 GLY 20 13.958 3.138 0.985 157 H LYS 21 HN LYS 21 13.327 0.478 2.865 158 HA LYS 21 HA LYS 21 15.234 1.295 5.020 159 1HB LYS 21 HB2 LYS 21 13.048 2.520 5.158 160 2HB LYS 21 HB1 LYS 21 12.230 0.964 5.299 161 1HG LYS 21 HG2 LYS 21 14.273 0.843 7.202 162 2HG LYS 21 HG1 LYS 21 13.646 2.486 7.337 163 1HD LYS 21 HD2 LYS 21 11.431 1.717 7.755 164 2HD LYS 21 HD1 LYS 21 11.825 0.075 7.246 165 1HE LYS 21 HE2 LYS 21 13.599 0.230 9.216 166 2HE LYS 21 HE1 LYS 21 12.474 1.460 9.826 167 1HZ LYS 21 HZ1 LYS 21 12.017 -1.395 9.338 168 2HZ LYS 21 HZ2 LYS 21 10.722 -0.324 9.088 169 3HZ LYS 21 HZ3 LYS 21 11.467 -0.420 10.611 170 1HN NH2 22 1HN NH2 22 16.211 -0.894 4.437 171 2HN NH2 22 2HN NH2 22 15.473 -2.305 5.028 Start of MODEL 22 1 1H SER 1 1H SER 1 -14.778 -5.002 -7.090 2 2H SER 1 2H SER 1 -15.605 -4.306 -5.781 3 3H SER 1 3H SER 1 -14.667 -5.703 -5.550 4 HA SER 1 HA SER 1 -12.762 -4.150 -6.479 5 1HB SER 1 HB2 SER 1 -15.022 -2.424 -5.473 6 2HB SER 1 HB1 SER 1 -13.358 -1.849 -5.417 7 HG SER 1 HG SER 1 -13.713 -1.332 -7.424 8 H GLY 2 HN GLY 2 -11.854 -5.671 -4.934 9 1HA GLY 2 HA2 GLY 2 -12.287 -4.952 -2.067 10 2HA GLY 2 HA1 GLY 2 -11.701 -6.519 -2.625 11 H SER 3 HN SER 3 -10.496 -3.579 -4.070 12 HA SER 3 HA SER 3 -7.849 -4.103 -2.760 13 1HB SER 3 HB2 SER 3 -8.091 -2.492 -5.249 14 2HB SER 3 HB1 SER 3 -6.905 -3.723 -4.823 15 HG SER 3 HG SER 3 -8.262 -5.273 -5.470 16 H LEU 4 HN LEU 4 -6.739 -1.603 -3.706 17 HA LEU 4 HA LEU 4 -6.443 0.587 -2.855 18 1HB LEU 4 HB2 LEU 4 -8.842 0.291 -4.189 19 2HB LEU 4 HB1 LEU 4 -9.349 1.018 -2.664 20 HG LEU 4 HG LEU 4 -7.048 2.438 -3.371 21 1HD1 LEU 4 HD11 LEU 4 -8.787 1.843 -5.779 22 2HD1 LEU 4 HD12 LEU 4 -7.047 1.596 -5.624 23 3HD1 LEU 4 HD13 LEU 4 -7.703 3.232 -5.693 24 1HD2 LEU 4 HD21 LEU 4 -9.828 3.347 -4.102 25 2HD2 LEU 4 HD22 LEU 4 -8.510 4.282 -3.395 26 3HD2 LEU 4 HD23 LEU 4 -9.385 3.106 -2.412 27 H SER 5 HN SER 5 -8.585 1.890 -1.192 28 HA SER 5 HA SER 5 -8.994 2.190 1.117 29 1HB SER 5 HB2 SER 5 -9.117 -0.808 0.712 30 2HB SER 5 HB1 SER 5 -9.578 -0.036 2.226 31 HG SER 5 HG SER 5 -10.909 1.345 0.679 32 H THR 6 HN THR 6 -8.166 1.196 3.390 33 HA THR 6 HA THR 6 -5.471 1.808 3.748 34 HB THR 6 HB THR 6 -6.868 -0.395 5.271 35 HG1 THR 6 HG1 THR 6 -7.412 2.385 5.258 36 1HG2 THR 6 HG21 THR 6 -4.487 0.689 5.728 37 2HG2 THR 6 HG22 THR 6 -5.574 0.292 7.059 38 3HG2 THR 6 HG23 THR 6 -5.465 1.953 6.476 39 H PHE 7 HN PHE 7 -6.838 -1.469 3.236 40 HA PHE 7 HA PHE 7 -4.598 -3.075 3.355 41 1HB PHE 7 HB2 PHE 7 -7.186 -3.200 2.344 42 2HB PHE 7 HB1 PHE 7 -6.183 -3.547 0.935 43 HD1 PHE 7 HD1 PHE 7 -6.496 -4.450 4.563 44 HD2 PHE 7 HD2 PHE 7 -5.388 -5.721 0.612 45 HE1 PHE 7 HE1 PHE 7 -6.089 -6.744 5.414 46 HE2 PHE 7 HE2 PHE 7 -4.983 -8.014 1.462 47 HZ PHE 7 HZ PHE 7 -5.334 -8.526 3.864 48 H PHE 8 HN PHE 8 -5.670 -1.663 0.235 49 HA PHE 8 HA PHE 8 -3.253 -2.159 -1.173 50 1HB PHE 8 HB2 PHE 8 -5.719 -1.270 -1.773 51 2HB PHE 8 HB1 PHE 8 -4.872 0.278 -1.765 52 HD1 PHE 8 HD1 PHE 8 -4.548 -3.214 -3.094 53 HD2 PHE 8 HD2 PHE 8 -3.702 0.957 -3.675 54 HE1 PHE 8 HE1 PHE 8 -3.609 -3.716 -5.334 55 HE2 PHE 8 HE2 PHE 8 -2.764 0.455 -5.914 56 HZ PHE 8 HZ PHE 8 -2.717 -1.882 -6.744 57 H ARG 9 HN ARG 9 -4.336 0.801 0.529 58 HA ARG 9 HA ARG 9 -2.085 2.435 -0.008 59 1HB ARG 9 HB2 ARG 9 -4.452 2.559 1.413 60 2HB ARG 9 HB1 ARG 9 -3.239 2.646 2.691 61 1HG ARG 9 HG2 ARG 9 -3.531 4.900 2.060 62 2HG ARG 9 HG1 ARG 9 -2.081 4.410 1.182 63 1HD ARG 9 HD2 ARG 9 -3.114 4.576 -0.854 64 2HD ARG 9 HD1 ARG 9 -4.640 3.912 -0.238 65 HE ARG 9 HE ARG 9 -3.769 6.750 0.052 66 1HH1 ARG 9 HH11 ARG 9 -5.411 5.733 2.368 67 2HH1 ARG 9 HH12 ARG 9 -7.018 6.130 1.861 68 1HH2 ARG 9 HH21 ARG 9 -6.138 6.620 -1.457 69 2HH2 ARG 9 HH22 ARG 9 -7.430 6.632 -0.304 70 H LEU 10 HN LEU 10 -2.657 0.200 2.733 71 HA LEU 10 HA LEU 10 -0.169 0.657 4.067 72 1HB LEU 10 HB2 LEU 10 -2.448 -0.658 4.603 73 2HB LEU 10 HB1 LEU 10 -1.470 -2.032 4.083 74 HG LEU 10 HG LEU 10 -1.166 -1.813 6.461 75 1HD1 LEU 10 HD11 LEU 10 1.265 -0.413 5.375 76 2HD1 LEU 10 HD12 LEU 10 0.880 -2.050 4.842 77 3HD1 LEU 10 HD13 LEU 10 1.174 -1.724 6.550 78 1HD2 LEU 10 HD21 LEU 10 0.008 0.581 7.031 79 2HD2 LEU 10 HD22 LEU 10 -1.718 0.271 7.222 80 3HD2 LEU 10 HD23 LEU 10 -1.121 1.068 5.767 81 H PHE 11 HN PHE 11 -1.127 -1.813 1.661 82 HA PHE 11 HA PHE 11 1.320 -3.252 1.565 83 1HB PHE 11 HB2 PHE 11 -1.134 -2.895 0.011 84 2HB PHE 11 HB1 PHE 11 0.256 -3.265 -1.010 85 HD1 PHE 11 HD1 PHE 11 -0.924 -4.327 2.399 86 HD2 PHE 11 HD2 PHE 11 0.474 -5.530 -1.481 87 HE1 PHE 11 HE1 PHE 11 -1.043 -6.704 3.092 88 HE2 PHE 11 HE2 PHE 11 0.356 -7.908 -0.786 89 HZ PHE 11 HZ PHE 11 -0.404 -8.495 1.501 90 H ASN 12 HN ASN 12 0.223 -0.524 -0.491 91 HA ASN 12 HA ASN 12 2.634 -0.280 -2.011 92 1HB ASN 12 HB2 ASN 12 0.450 1.669 -1.217 93 2HB ASN 12 HB1 ASN 12 1.681 2.028 -2.429 94 1HD2 ASN 12 HD21 ASN 12 1.586 0.861 -4.473 95 2HD2 ASN 12 HD22 ASN 12 0.219 -0.039 -4.920 96 H ARG 13 HN ARG 13 1.500 1.711 0.755 97 HA ARG 13 HA ARG 13 3.832 3.260 1.111 98 1HB ARG 13 HB2 ARG 13 1.534 2.312 2.759 99 2HB ARG 13 HB1 ARG 13 2.895 3.022 3.625 100 1HG ARG 13 HG2 ARG 13 2.397 5.107 2.906 101 2HG ARG 13 HG1 ARG 13 2.152 4.558 1.247 102 1HD ARG 13 HD2 ARG 13 -0.065 4.921 1.601 103 2HD ARG 13 HD1 ARG 13 -0.027 3.491 2.653 104 HE ARG 13 HE ARG 13 -0.349 6.138 3.610 105 1HH1 ARG 13 HH21 ARG 13 0.628 3.047 4.508 106 2HH1 ARG 13 HH22 ARG 13 1.395 3.530 5.984 107 1HH2 ARG 13 HH11 ARG 13 1.087 6.924 5.344 108 2HH2 ARG 13 HH12 ARG 13 1.655 5.725 6.457 109 H SER 14 HN SER 14 2.980 0.154 2.689 110 HA SER 14 HA SER 14 5.349 -0.158 4.224 111 1HB SER 14 HB2 SER 14 3.547 -1.596 4.684 112 2HB SER 14 HB1 SER 14 3.295 -1.977 2.984 113 HG SER 14 HG SER 14 4.440 -3.552 4.485 114 H PHE 15 HN PHE 15 4.600 -1.353 0.930 115 HA PHE 15 HA PHE 15 7.058 -2.668 0.410 116 1HB PHE 15 HB2 PHE 15 4.689 -1.789 -0.959 117 2HB PHE 15 HB1 PHE 15 6.093 -1.410 -1.957 118 HD1 PHE 15 HD1 PHE 15 5.919 -3.078 -3.653 119 HD2 PHE 15 HD2 PHE 15 5.792 -4.194 0.493 120 HE1 PHE 15 HE1 PHE 15 6.112 -5.466 -4.290 121 HE2 PHE 15 HE2 PHE 15 5.985 -6.583 -0.144 122 HZ PHE 15 HZ PHE 15 6.146 -7.219 -2.535 123 H THR 16 HN THR 16 6.108 0.702 -0.375 124 HA THR 16 HA THR 16 8.591 1.527 -1.492 125 HB THR 16 HB THR 16 6.330 2.912 -0.041 126 HG1 THR 16 HG1 THR 16 5.558 2.996 -1.979 127 1HG2 THR 16 HG21 THR 16 8.338 4.262 0.323 128 2HG2 THR 16 HG22 THR 16 7.293 5.049 -0.860 129 3HG2 THR 16 HG23 THR 16 8.729 4.175 -1.394 130 H GLN 17 HN GLN 17 7.410 1.695 1.881 131 HA GLN 17 HA GLN 17 9.788 2.948 2.938 132 1HB GLN 17 HB2 GLN 17 7.265 2.498 3.790 133 2HB GLN 17 HB1 GLN 17 8.084 1.175 4.621 134 1HG GLN 17 HG2 GLN 17 9.720 2.803 5.548 135 2HG GLN 17 HG1 GLN 17 8.827 4.112 4.774 136 1HE2 GLN 17 HE21 GLN 17 8.735 4.681 7.287 137 2HE2 GLN 17 HE22 GLN 17 7.368 4.101 8.109 138 H ALA 18 HN ALA 18 8.614 -0.440 3.133 139 HA ALA 18 HA ALA 18 10.829 -1.591 4.427 140 1HB ALA 18 HB1 ALA 18 8.811 -2.516 2.391 141 2HB ALA 18 HB2 ALA 18 8.918 -2.924 4.104 142 3HB ALA 18 HB3 ALA 18 10.062 -3.623 2.957 143 H LEU 19 HN LEU 19 10.337 -1.074 0.920 144 HA LEU 19 HA LEU 19 12.720 -2.285 -0.021 145 1HB LEU 19 HB2 LEU 19 10.982 0.010 -0.941 146 2HB LEU 19 HB1 LEU 19 12.357 -0.542 -1.898 147 HG LEU 19 HG LEU 19 10.265 -2.478 -0.910 148 1HD1 LEU 19 HD11 LEU 19 10.239 -1.134 -3.622 149 2HD1 LEU 19 HD12 LEU 19 9.261 -0.560 -2.271 150 3HD1 LEU 19 HD13 LEU 19 9.004 -2.181 -2.919 151 1HD2 LEU 19 HD21 LEU 19 12.690 -2.586 -2.479 152 2HD2 LEU 19 HD22 LEU 19 11.322 -3.126 -3.453 153 3HD2 LEU 19 HD23 LEU 19 11.678 -3.918 -1.917 154 H GLY 20 HN GLY 20 12.137 1.097 0.996 155 1HA GLY 20 HA2 GLY 20 13.680 2.630 1.925 156 2HA GLY 20 HA1 GLY 20 14.912 1.366 1.867 157 H LYS 21 HN LYS 21 13.557 1.418 -1.161 158 HA LYS 21 HA LYS 21 15.406 3.558 -2.148 159 1HB LYS 21 HB2 LYS 21 15.096 0.713 -3.165 160 2HB LYS 21 HB1 LYS 21 16.135 1.942 -3.887 161 1HG LYS 21 HG2 LYS 21 17.765 1.489 -2.406 162 2HG LYS 21 HG1 LYS 21 16.664 1.785 -1.060 163 1HD LYS 21 HD2 LYS 21 17.121 -0.443 -0.674 164 2HD LYS 21 HD1 LYS 21 15.750 -0.623 -1.767 165 1HE LYS 21 HE2 LYS 21 17.757 -0.438 -3.586 166 2HE LYS 21 HE1 LYS 21 18.620 -1.211 -2.242 167 1HZ LYS 21 HZ1 LYS 21 15.919 -2.112 -3.015 168 2HZ LYS 21 HZ2 LYS 21 17.122 -2.959 -2.167 169 3HZ LYS 21 HZ3 LYS 21 17.280 -2.698 -3.838 170 1HN NH2 22 1HN NH2 22 14.863 3.986 -4.607 171 2HN NH2 22 2HN NH2 22 13.222 3.947 -5.037 Start of MODEL 23 1 1H SER 1 1H SER 1 -15.552 -0.879 -2.587 2 2H SER 1 2H SER 1 -16.292 -2.289 -1.997 3 3H SER 1 3H SER 1 -14.603 -2.218 -2.160 4 HA SER 1 HA SER 1 -14.688 -0.295 -0.502 5 1HB SER 1 HB2 SER 1 -17.082 0.085 -0.776 6 2HB SER 1 HB1 SER 1 -17.434 -1.570 -0.291 7 HG SER 1 HG SER 1 -17.245 0.523 1.255 8 H GLY 2 HN GLY 2 -15.399 -3.684 -0.844 9 1HA GLY 2 HA2 GLY 2 -14.836 -4.426 1.905 10 2HA GLY 2 HA1 GLY 2 -14.911 -5.533 0.533 11 H SER 3 HN SER 3 -12.809 -3.376 2.352 12 HA SER 3 HA SER 3 -10.451 -3.308 2.495 13 1HB SER 3 HB2 SER 3 -10.215 -5.505 3.075 14 2HB SER 3 HB1 SER 3 -11.296 -6.051 1.796 15 HG SER 3 HG SER 3 -9.642 -6.277 0.493 16 H LEU 4 HN LEU 4 -10.058 -1.655 0.935 17 HA LEU 4 HA LEU 4 -8.915 -2.627 -1.627 18 1HB LEU 4 HB2 LEU 4 -11.515 -1.920 -1.560 19 2HB LEU 4 HB1 LEU 4 -10.800 -0.322 -1.785 20 HG LEU 4 HG LEU 4 -9.617 -2.394 -3.504 21 1HD1 LEU 4 HD11 LEU 4 -12.488 -1.537 -3.979 22 2HD1 LEU 4 HD12 LEU 4 -12.011 -3.135 -3.405 23 3HD1 LEU 4 HD13 LEU 4 -11.518 -2.591 -5.008 24 1HD2 LEU 4 HD21 LEU 4 -9.062 -0.108 -3.902 25 2HD2 LEU 4 HD22 LEU 4 -10.751 0.393 -3.823 26 3HD2 LEU 4 HD23 LEU 4 -10.174 -0.546 -5.199 27 H SER 5 HN SER 5 -9.949 0.561 -0.367 28 HA SER 5 HA SER 5 -7.603 1.948 -1.208 29 1HB SER 5 HB2 SER 5 -9.430 3.305 -0.739 30 2HB SER 5 HB1 SER 5 -9.883 2.372 0.686 31 HG SER 5 HG SER 5 -8.930 3.991 1.664 32 H THR 6 HN THR 6 -8.474 1.517 2.227 33 HA THR 6 HA THR 6 -6.021 1.959 3.412 34 HB THR 6 HB THR 6 -6.857 0.428 5.189 35 HG1 THR 6 HG1 THR 6 -8.225 -1.087 4.706 36 1HG2 THR 6 HG21 THR 6 -8.023 2.337 5.570 37 2HG2 THR 6 HG22 THR 6 -9.391 1.445 4.907 38 3HG2 THR 6 HG23 THR 6 -8.454 2.520 3.870 39 H PHE 7 HN PHE 7 -7.112 -1.117 1.963 40 HA PHE 7 HA PHE 7 -4.858 -2.713 2.647 41 1HB PHE 7 HB2 PHE 7 -7.163 -3.267 1.585 42 2HB PHE 7 HB1 PHE 7 -6.385 -2.889 0.048 43 HD1 PHE 7 HD1 PHE 7 -5.892 -4.941 3.145 44 HD2 PHE 7 HD2 PHE 7 -5.157 -4.542 -1.069 45 HE1 PHE 7 HE1 PHE 7 -4.860 -7.196 3.110 46 HE2 PHE 7 HE2 PHE 7 -4.124 -6.796 -1.102 47 HZ PHE 7 HZ PHE 7 -3.976 -8.124 0.987 48 H PHE 8 HN PHE 8 -5.499 -1.117 -0.507 49 HA PHE 8 HA PHE 8 -2.963 -1.563 -1.669 50 1HB PHE 8 HB2 PHE 8 -5.218 -0.587 -2.562 51 2HB PHE 8 HB1 PHE 8 -4.553 0.968 -2.062 52 HD1 PHE 8 HD1 PHE 8 -1.961 1.279 -2.766 53 HD2 PHE 8 HD2 PHE 8 -4.812 -1.244 -4.756 54 HE1 PHE 8 HE1 PHE 8 -0.591 1.360 -4.833 55 HE2 PHE 8 HE2 PHE 8 -3.442 -1.162 -6.823 56 HZ PHE 8 HZ PHE 8 -1.333 0.141 -6.860 57 H ARG 9 HN ARG 9 -4.084 1.250 0.244 58 HA ARG 9 HA ARG 9 -1.729 2.810 0.130 59 1HB ARG 9 HB2 ARG 9 -4.183 3.026 1.225 60 2HB ARG 9 HB1 ARG 9 -3.263 2.643 2.681 61 1HG ARG 9 HG2 ARG 9 -1.609 4.481 1.700 62 2HG ARG 9 HG1 ARG 9 -3.079 5.038 0.897 63 1HD ARG 9 HD2 ARG 9 -4.235 5.149 3.088 64 2HD ARG 9 HD1 ARG 9 -2.742 4.620 3.890 65 HE ARG 9 HE ARG 9 -2.075 6.875 3.716 66 1HH1 ARG 9 HH21 ARG 9 -4.700 6.505 1.645 67 2HH1 ARG 9 HH22 ARG 9 -4.224 7.750 0.539 68 1HH2 ARG 9 HH11 ARG 9 -1.123 8.239 2.013 69 2HH2 ARG 9 HH12 ARG 9 -2.198 8.732 0.747 70 H LEU 10 HN LEU 10 -2.672 0.437 2.652 71 HA LEU 10 HA LEU 10 -0.283 0.566 4.182 72 1HB LEU 10 HB2 LEU 10 -2.707 -0.774 4.202 73 2HB LEU 10 HB1 LEU 10 -1.542 -2.078 3.961 74 HG LEU 10 HG LEU 10 -1.046 0.017 6.062 75 1HD1 LEU 10 HD11 LEU 10 -3.225 -1.905 6.016 76 2HD1 LEU 10 HD12 LEU 10 -2.878 -0.644 7.198 77 3HD1 LEU 10 HD13 LEU 10 -2.122 -2.229 7.352 78 1HD2 LEU 10 HD21 LEU 10 0.805 -1.293 6.167 79 2HD2 LEU 10 HD22 LEU 10 0.054 -2.572 5.214 80 3HD2 LEU 10 HD23 LEU 10 -0.239 -2.478 6.951 81 H PHE 11 HN PHE 11 -1.165 -1.691 1.540 82 HA PHE 11 HA PHE 11 1.208 -3.225 1.488 83 1HB PHE 11 HB2 PHE 11 -0.839 -3.744 0.245 84 2HB PHE 11 HB1 PHE 11 -0.630 -2.298 -0.743 85 HD1 PHE 11 HD1 PHE 11 0.097 -2.782 -2.898 86 HD2 PHE 11 HD2 PHE 11 1.619 -5.088 0.393 87 HE1 PHE 11 HE1 PHE 11 1.544 -4.057 -4.459 88 HE2 PHE 11 HE2 PHE 11 3.065 -6.361 -1.169 89 HZ PHE 11 HZ PHE 11 3.027 -5.846 -3.594 90 H ASN 12 HN ASN 12 0.445 -0.231 -0.328 91 HA ASN 12 HA ASN 12 2.961 -0.010 -1.671 92 1HB ASN 12 HB2 ASN 12 0.848 1.181 -2.228 93 2HB ASN 12 HB1 ASN 12 1.014 2.131 -0.751 94 1HD2 ASN 12 HD21 ASN 12 1.642 4.196 -1.434 95 2HD2 ASN 12 HD22 ASN 12 2.911 4.510 -2.517 96 H ARG 13 HN ARG 13 1.797 1.773 1.221 97 HA ARG 13 HA ARG 13 4.146 3.128 1.902 98 1HB ARG 13 HB2 ARG 13 1.685 2.197 3.172 99 2HB ARG 13 HB1 ARG 13 3.025 2.287 4.316 100 1HG ARG 13 HG2 ARG 13 2.582 4.564 2.415 101 2HG ARG 13 HG1 ARG 13 1.552 4.426 3.840 102 1HD ARG 13 HD2 ARG 13 3.356 4.698 5.329 103 2HD ARG 13 HD1 ARG 13 4.554 4.235 4.104 104 HE ARG 13 HE ARG 13 2.950 6.654 3.529 105 1HH1 ARG 13 HH11 ARG 13 5.346 6.115 5.727 106 2HH1 ARG 13 HH12 ARG 13 6.539 7.126 4.983 107 1HH2 ARG 13 HH21 ARG 13 4.720 7.580 2.066 108 2HH2 ARG 13 HH22 ARG 13 6.184 7.956 2.910 109 H SER 14 HN SER 14 3.205 -0.186 2.882 110 HA SER 14 HA SER 14 5.550 -0.755 4.423 111 1HB SER 14 HB2 SER 14 3.201 -1.940 4.056 112 2HB SER 14 HB1 SER 14 4.095 -2.847 2.839 113 HG SER 14 HG SER 14 4.175 -3.009 5.550 114 H PHE 15 HN PHE 15 4.749 -1.609 1.031 115 HA PHE 15 HA PHE 15 7.252 -2.831 0.401 116 1HB PHE 15 HB2 PHE 15 4.856 -2.548 -0.793 117 2HB PHE 15 HB1 PHE 15 5.739 -1.291 -1.660 118 HD1 PHE 15 HD1 PHE 15 8.494 -2.727 -1.338 119 HD2 PHE 15 HD2 PHE 15 4.643 -4.014 -2.738 120 HE1 PHE 15 HE1 PHE 15 9.584 -4.457 -2.742 121 HE2 PHE 15 HE2 PHE 15 5.731 -5.744 -4.143 122 HZ PHE 15 HZ PHE 15 8.202 -5.965 -4.145 123 H THR 16 HN THR 16 6.112 0.523 -0.143 124 HA THR 16 HA THR 16 8.519 1.506 -1.332 125 HB THR 16 HB THR 16 6.250 2.752 0.238 126 HG1 THR 16 HG1 THR 16 5.857 3.536 -1.969 127 1HG2 THR 16 HG21 THR 16 7.051 4.933 -0.557 128 2HG2 THR 16 HG22 THR 16 8.451 4.159 -1.300 129 3HG2 THR 16 HG23 THR 16 8.272 4.163 0.455 130 H GLN 17 HN GLN 17 7.419 1.467 2.068 131 HA GLN 17 HA GLN 17 9.644 2.884 3.178 132 1HB GLN 17 HB2 GLN 17 7.608 2.560 4.416 133 2HB GLN 17 HB1 GLN 17 7.706 0.808 4.233 134 1HG GLN 17 HG2 GLN 17 9.008 0.626 6.060 135 2HG GLN 17 HG1 GLN 17 10.131 1.835 5.437 136 1HE2 GLN 17 HE21 GLN 17 10.053 2.349 7.946 137 2HE2 GLN 17 HE22 GLN 17 8.896 3.493 8.425 138 H ALA 18 HN ALA 18 9.051 -0.638 2.860 139 HA ALA 18 HA ALA 18 11.534 -1.493 3.991 140 1HB ALA 18 HB1 ALA 18 9.883 -3.130 3.792 141 2HB ALA 18 HB2 ALA 18 10.909 -3.528 2.414 142 3HB ALA 18 HB3 ALA 18 9.423 -2.609 2.172 143 H LEU 19 HN LEU 19 10.581 -0.905 0.592 144 HA LEU 19 HA LEU 19 12.934 -1.694 -0.722 145 1HB LEU 19 HB2 LEU 19 10.693 -0.840 -1.620 146 2HB LEU 19 HB1 LEU 19 11.320 0.788 -1.356 147 HG LEU 19 HG LEU 19 13.003 -1.174 -2.872 148 1HD1 LEU 19 HD11 LEU 19 11.794 -1.035 -4.824 149 2HD1 LEU 19 HD12 LEU 19 11.117 0.541 -4.416 150 3HD1 LEU 19 HD13 LEU 19 10.454 -0.919 -3.683 151 1HD2 LEU 19 HD21 LEU 19 13.633 0.957 -4.043 152 2HD2 LEU 19 HD22 LEU 19 13.953 0.996 -2.310 153 3HD2 LEU 19 HD23 LEU 19 12.540 1.824 -2.964 154 H GLY 20 HN GLY 20 12.216 1.431 0.852 155 1HA GLY 20 HA2 GLY 20 14.838 2.531 0.174 156 2HA GLY 20 HA1 GLY 20 13.639 3.286 1.227 157 H LYS 21 HN LYS 21 13.937 0.169 2.321 158 HA LYS 21 HA LYS 21 16.142 0.918 4.216 159 1HB LYS 21 HB2 LYS 21 13.604 0.936 4.914 160 2HB LYS 21 HB1 LYS 21 13.799 -0.817 4.958 161 1HG LYS 21 HG2 LYS 21 15.930 -0.294 6.376 162 2HG LYS 21 HG1 LYS 21 15.168 1.275 6.632 163 1HD LYS 21 HD2 LYS 21 13.644 0.413 8.061 164 2HD LYS 21 HD1 LYS 21 13.298 -0.945 6.989 165 1HE LYS 21 HE2 LYS 21 14.699 -2.335 8.127 166 2HE LYS 21 HE1 LYS 21 15.956 -1.089 8.263 167 1HZ LYS 21 HZ1 LYS 21 14.198 0.019 9.814 168 2HZ LYS 21 HZ2 LYS 21 15.223 -1.192 10.420 169 3HZ LYS 21 HZ3 LYS 21 13.623 -1.567 9.987 170 1HN NH2 22 1HN NH2 22 16.611 -0.658 1.833 171 2HN NH2 22 2HN NH2 22 16.947 -2.254 2.307 Start of MODEL 24 1 1H SER 1 1H SER 1 -20.743 -2.734 1.171 2 2H SER 1 2H SER 1 -20.379 -2.185 2.737 3 3H SER 1 3H SER 1 -20.905 -3.781 2.495 4 HA SER 1 HA SER 1 -18.554 -3.867 2.836 5 1HB SER 1 HB2 SER 1 -18.731 -4.066 -0.122 6 2HB SER 1 HB1 SER 1 -18.267 -5.289 1.058 7 HG SER 1 HG SER 1 -20.511 -5.408 1.626 8 H GLY 2 HN GLY 2 -16.678 -2.673 2.841 9 1HA GLY 2 HA2 GLY 2 -16.651 -0.073 1.491 10 2HA GLY 2 HA1 GLY 2 -15.389 -0.704 2.550 11 H SER 3 HN SER 3 -13.796 -0.019 0.957 12 HA SER 3 HA SER 3 -13.724 -1.765 -1.484 13 1HB SER 3 HB2 SER 3 -13.967 0.588 -2.013 14 2HB SER 3 HB1 SER 3 -12.672 1.020 -0.900 15 HG SER 3 HG SER 3 -11.756 0.944 -2.897 16 H LEU 4 HN LEU 4 -10.935 -0.883 -1.962 17 HA LEU 4 HA LEU 4 -9.575 -2.468 0.195 18 1HB LEU 4 HB2 LEU 4 -9.188 -2.299 -2.806 19 2HB LEU 4 HB1 LEU 4 -8.021 -3.079 -1.736 20 HG LEU 4 HG LEU 4 -10.514 -4.111 -0.963 21 1HD1 LEU 4 HD11 LEU 4 -11.694 -3.484 -2.893 22 2HD1 LEU 4 HD12 LEU 4 -11.135 -5.107 -3.296 23 3HD1 LEU 4 HD13 LEU 4 -10.288 -3.700 -3.937 24 1HD2 LEU 4 HD21 LEU 4 -9.423 -6.059 -2.549 25 2HD2 LEU 4 HD22 LEU 4 -8.896 -5.717 -0.901 26 3HD2 LEU 4 HD23 LEU 4 -8.023 -5.023 -2.268 27 H SER 5 HN SER 5 -9.942 0.611 -0.832 28 HA SER 5 HA SER 5 -7.521 1.810 -1.407 29 1HB SER 5 HB2 SER 5 -9.875 2.759 -0.859 30 2HB SER 5 HB1 SER 5 -9.311 2.816 0.809 31 HG SER 5 HG SER 5 -7.375 3.879 -0.396 32 H THR 6 HN THR 6 -8.638 1.220 1.956 33 HA THR 6 HA THR 6 -6.305 1.923 3.331 34 HB THR 6 HB THR 6 -7.687 -0.529 4.250 35 HG1 THR 6 HG1 THR 6 -9.657 0.224 4.108 36 1HG2 THR 6 HG21 THR 6 -8.166 1.748 5.878 37 2HG2 THR 6 HG22 THR 6 -6.500 1.860 5.311 38 3HG2 THR 6 HG23 THR 6 -7.041 0.423 6.178 39 H PHE 7 HN PHE 7 -7.156 -1.451 2.448 40 HA PHE 7 HA PHE 7 -4.758 -2.721 3.064 41 1HB PHE 7 HB2 PHE 7 -7.101 -3.385 1.882 42 2HB PHE 7 HB1 PHE 7 -6.042 -3.420 0.471 43 HD1 PHE 7 HD1 PHE 7 -5.452 -4.295 4.070 44 HD2 PHE 7 HD2 PHE 7 -5.509 -5.646 -0.007 45 HE1 PHE 7 HE1 PHE 7 -4.563 -6.497 4.786 46 HE2 PHE 7 HE2 PHE 7 -4.621 -7.847 0.709 47 HZ PHE 7 HZ PHE 7 -4.148 -8.273 3.106 48 H PHE 8 HN PHE 8 -5.545 -1.567 -0.244 49 HA PHE 8 HA PHE 8 -3.046 -1.873 -1.441 50 1HB PHE 8 HB2 PHE 8 -5.449 -0.203 -1.760 51 2HB PHE 8 HB1 PHE 8 -4.000 0.502 -2.476 52 HD1 PHE 8 HD1 PHE 8 -6.510 -2.108 -2.731 53 HD2 PHE 8 HD2 PHE 8 -2.652 -0.839 -4.131 54 HE1 PHE 8 HE1 PHE 8 -6.687 -3.679 -4.641 55 HE2 PHE 8 HE2 PHE 8 -2.829 -2.411 -6.042 56 HZ PHE 8 HZ PHE 8 -4.846 -3.831 -6.297 57 H ARG 9 HN ARG 9 -4.196 1.059 0.279 58 HA ARG 9 HA ARG 9 -1.892 2.648 0.076 59 1HB ARG 9 HB2 ARG 9 -4.276 2.404 1.729 60 2HB ARG 9 HB1 ARG 9 -2.913 3.019 2.663 61 1HG ARG 9 HG2 ARG 9 -2.613 4.483 0.408 62 2HG ARG 9 HG1 ARG 9 -4.363 4.265 0.392 63 1HD ARG 9 HD2 ARG 9 -4.635 5.731 2.102 64 2HD ARG 9 HD1 ARG 9 -3.377 4.930 3.066 65 HE ARG 9 HE ARG 9 -1.912 6.619 2.327 66 1HH1 ARG 9 HH21 ARG 9 -4.151 8.317 1.296 67 2HH1 ARG 9 HH22 ARG 9 -3.714 8.524 -0.368 68 1HH2 ARG 9 HH11 ARG 9 -1.446 5.902 -0.376 69 2HH2 ARG 9 HH12 ARG 9 -2.183 7.157 -1.314 70 H LEU 10 HN LEU 10 -2.669 0.338 2.712 71 HA LEU 10 HA LEU 10 -0.238 0.596 4.154 72 1HB LEU 10 HB2 LEU 10 -2.597 -1.025 4.087 73 2HB LEU 10 HB1 LEU 10 -1.203 -2.094 4.250 74 HG LEU 10 HG LEU 10 -2.033 -1.355 6.461 75 1HD1 LEU 10 HD11 LEU 10 0.627 -1.160 5.459 76 2HD1 LEU 10 HD12 LEU 10 0.115 -1.497 7.113 77 3HD1 LEU 10 HD13 LEU 10 0.394 0.166 6.597 78 1HD2 LEU 10 HD21 LEU 10 -2.817 0.904 5.485 79 2HD2 LEU 10 HD22 LEU 10 -1.146 1.429 5.690 80 3HD2 LEU 10 HD23 LEU 10 -2.093 0.933 7.094 81 H PHE 11 HN PHE 11 -1.108 -1.657 1.517 82 HA PHE 11 HA PHE 11 1.293 -3.168 1.454 83 1HB PHE 11 HB2 PHE 11 -0.834 -3.652 0.255 84 2HB PHE 11 HB1 PHE 11 -0.517 -2.290 -0.820 85 HD1 PHE 11 HD1 PHE 11 0.495 -2.762 -2.860 86 HD2 PHE 11 HD2 PHE 11 1.281 -5.311 0.508 87 HE1 PHE 11 HE1 PHE 11 1.907 -4.217 -4.289 88 HE2 PHE 11 HE2 PHE 11 2.693 -6.765 -0.921 89 HZ PHE 11 HZ PHE 11 3.006 -6.218 -3.319 90 H ASN 12 HN ASN 12 0.425 -0.330 -0.569 91 HA ASN 12 HA ASN 12 2.936 -0.025 -1.855 92 1HB ASN 12 HB2 ASN 12 0.838 1.086 -2.506 93 2HB ASN 12 HB1 ASN 12 0.859 2.024 -1.012 94 1HD2 ASN 12 HD21 ASN 12 2.805 1.442 -3.982 95 2HD2 ASN 12 HD22 ASN 12 3.511 2.985 -4.002 96 H ARG 13 HN ARG 13 1.712 1.577 1.111 97 HA ARG 13 HA ARG 13 3.969 3.149 1.726 98 1HB ARG 13 HB2 ARG 13 1.655 3.014 2.811 99 2HB ARG 13 HB1 ARG 13 2.267 1.631 3.718 100 1HG ARG 13 HG2 ARG 13 3.461 2.948 5.115 101 2HG ARG 13 HG1 ARG 13 4.098 3.913 3.783 102 1HD ARG 13 HD2 ARG 13 1.584 4.836 3.733 103 2HD ARG 13 HD1 ARG 13 1.655 4.369 5.443 104 HE ARG 13 HE ARG 13 3.582 5.854 5.717 105 1HH1 ARG 13 HH11 ARG 13 1.414 7.523 4.330 106 2HH1 ARG 13 HH12 ARG 13 2.353 8.334 3.122 107 1HH2 ARG 13 HH21 ARG 13 5.075 6.209 3.429 108 2HH2 ARG 13 HH22 ARG 13 4.425 7.590 2.612 109 H SER 14 HN SER 14 3.253 -0.162 2.916 110 HA SER 14 HA SER 14 5.702 -0.575 4.299 111 1HB SER 14 HB2 SER 14 3.421 -2.108 3.272 112 2HB SER 14 HB1 SER 14 4.908 -3.050 3.327 113 HG SER 14 HG SER 14 5.110 -2.154 5.534 114 H PHE 15 HN PHE 15 4.815 -1.284 0.911 115 HA PHE 15 HA PHE 15 7.208 -2.585 0.112 116 1HB PHE 15 HB2 PHE 15 4.819 -1.497 -1.013 117 2HB PHE 15 HB1 PHE 15 6.176 -0.917 -1.978 118 HD1 PHE 15 HD1 PHE 15 7.513 -2.422 -3.304 119 HD2 PHE 15 HD2 PHE 15 4.447 -3.936 -0.704 120 HE1 PHE 15 HE1 PHE 15 7.709 -4.651 -4.372 121 HE2 PHE 15 HE2 PHE 15 4.643 -6.166 -1.772 122 HZ PHE 15 HZ PHE 15 6.274 -6.523 -3.606 123 H THR 16 HN THR 16 6.350 0.889 -0.173 124 HA THR 16 HA THR 16 8.878 1.755 -1.188 125 HB THR 16 HB THR 16 7.961 3.960 -0.057 126 HG1 THR 16 HG1 THR 16 6.454 3.289 1.297 127 1HG2 THR 16 HG21 THR 16 7.044 4.367 -2.089 128 2HG2 THR 16 HG22 THR 16 5.944 2.994 -1.966 129 3HG2 THR 16 HG23 THR 16 7.607 2.746 -2.499 130 H GLN 17 HN GLN 17 7.617 1.594 2.154 131 HA GLN 17 HA GLN 17 9.880 2.748 3.458 132 1HB GLN 17 HB2 GLN 17 7.781 2.478 4.591 133 2HB GLN 17 HB1 GLN 17 7.756 0.744 4.263 134 1HG GLN 17 HG2 GLN 17 10.198 1.442 5.633 135 2HG GLN 17 HG1 GLN 17 8.810 2.037 6.546 136 1HE2 GLN 17 HE21 GLN 17 7.424 0.482 7.548 137 2HE2 GLN 17 HE22 GLN 17 7.723 -1.188 7.502 138 H ALA 18 HN ALA 18 9.070 -0.692 2.851 139 HA ALA 18 HA ALA 18 11.444 -1.793 4.007 140 1HB ALA 18 HB1 ALA 18 10.732 -3.798 2.823 141 2HB ALA 18 HB2 ALA 18 9.762 -2.837 1.706 142 3HB ALA 18 HB3 ALA 18 9.294 -2.958 3.403 143 H LEU 19 HN LEU 19 10.670 -0.914 0.624 144 HA LEU 19 HA LEU 19 13.122 -1.745 -0.558 145 1HB LEU 19 HB2 LEU 19 10.771 -0.757 -1.417 146 2HB LEU 19 HB1 LEU 19 11.733 0.719 -1.512 147 HG LEU 19 HG LEU 19 13.318 -1.395 -2.573 148 1HD1 LEU 19 HD11 LEU 19 11.669 -2.812 -3.284 149 2HD1 LEU 19 HD12 LEU 19 11.523 -1.638 -4.592 150 3HD1 LEU 19 HD13 LEU 19 10.426 -1.563 -3.214 151 1HD2 LEU 19 HD21 LEU 19 13.489 0.057 -4.418 152 2HD2 LEU 19 HD22 LEU 19 13.106 1.155 -3.092 153 3HD2 LEU 19 HD23 LEU 19 11.841 0.655 -4.216 154 H GLY 20 HN GLY 20 12.186 1.389 0.883 155 1HA GLY 20 HA2 GLY 20 13.956 2.577 2.190 156 2HA GLY 20 HA1 GLY 20 15.094 2.101 0.928 157 H LYS 21 HN LYS 21 12.267 2.809 -0.656 158 HA LYS 21 HA LYS 21 11.754 4.613 -2.105 159 1HB LYS 21 HB2 LYS 21 10.959 5.229 0.224 160 2HB LYS 21 HB1 LYS 21 12.447 6.158 0.409 161 1HG LYS 21 HG2 LYS 21 11.713 7.226 -1.888 162 2HG LYS 21 HG1 LYS 21 10.111 6.670 -1.401 163 1HD LYS 21 HD2 LYS 21 11.432 7.920 0.840 164 2HD LYS 21 HD1 LYS 21 11.439 9.013 -0.544 165 1HE LYS 21 HE2 LYS 21 9.367 9.413 0.628 166 2HE LYS 21 HE1 LYS 21 8.942 8.459 -0.807 167 1HZ LYS 21 HZ1 LYS 21 9.438 6.463 0.714 168 2HZ LYS 21 HZ2 LYS 21 7.955 7.272 0.904 169 3HZ LYS 21 HZ3 LYS 21 9.231 7.561 1.990 170 1HN NH2 22 1HN NH2 22 13.717 4.434 -3.502 171 2HN NH2 22 2HN NH2 22 14.984 5.553 -3.352 Start of MODEL 25 1 1H SER 1 1H SER 1 -13.488 5.704 0.838 2 2H SER 1 2H SER 1 -12.435 4.478 0.313 3 3H SER 1 3H SER 1 -14.070 4.128 0.614 4 HA SER 1 HA SER 1 -14.780 4.982 -1.357 5 1HB SER 1 HB2 SER 1 -14.212 7.234 -0.830 6 2HB SER 1 HB1 SER 1 -12.487 6.882 -0.833 7 HG SER 1 HG SER 1 -14.142 6.595 -3.117 8 H GLY 2 HN GLY 2 -13.756 2.653 -1.596 9 1HA GLY 2 HA2 GLY 2 -12.596 2.307 -4.072 10 2HA GLY 2 HA1 GLY 2 -11.205 2.522 -3.008 11 H SER 3 HN SER 3 -11.831 0.088 -4.420 12 HA SER 3 HA SER 3 -13.184 -1.886 -2.915 13 1HB SER 3 HB2 SER 3 -12.316 -2.127 -5.217 14 2HB SER 3 HB1 SER 3 -10.667 -2.075 -4.604 15 HG SER 3 HG SER 3 -11.105 -4.196 -4.703 16 H LEU 4 HN LEU 4 -9.616 -1.568 -3.012 17 HA LEU 4 HA LEU 4 -9.569 -2.443 -0.141 18 1HB LEU 4 HB2 LEU 4 -7.468 -2.791 -2.302 19 2HB LEU 4 HB1 LEU 4 -7.486 -3.556 -0.713 20 HG LEU 4 HG LEU 4 -9.959 -4.021 -2.203 21 1HD1 LEU 4 HD11 LEU 4 -9.144 -4.683 -4.192 22 2HD1 LEU 4 HD12 LEU 4 -8.034 -5.792 -3.387 23 3HD1 LEU 4 HD13 LEU 4 -7.543 -4.129 -3.704 24 1HD2 LEU 4 HD21 LEU 4 -8.065 -5.389 -0.422 25 2HD2 LEU 4 HD22 LEU 4 -8.725 -6.441 -1.675 26 3HD2 LEU 4 HD23 LEU 4 -9.810 -5.593 -0.573 27 H SER 5 HN SER 5 -9.843 0.318 -0.791 28 HA SER 5 HA SER 5 -7.635 1.933 -1.150 29 1HB SER 5 HB2 SER 5 -8.913 3.127 0.974 30 2HB SER 5 HB1 SER 5 -9.468 3.208 -0.695 31 HG SER 5 HG SER 5 -10.513 1.879 1.453 32 H THR 6 HN THR 6 -8.651 1.251 2.204 33 HA THR 6 HA THR 6 -6.321 1.890 3.546 34 HB THR 6 HB THR 6 -7.178 -0.327 4.903 35 HG1 THR 6 HG1 THR 6 -9.377 -0.528 4.464 36 1HG2 THR 6 HG21 THR 6 -9.052 1.403 5.697 37 2HG2 THR 6 HG22 THR 6 -8.075 2.514 4.735 38 3HG2 THR 6 HG23 THR 6 -7.348 1.643 6.086 39 H PHE 7 HN PHE 7 -7.082 -1.445 2.448 40 HA PHE 7 HA PHE 7 -4.629 -2.670 3.024 41 1HB PHE 7 HB2 PHE 7 -6.937 -3.447 1.954 42 2HB PHE 7 HB1 PHE 7 -6.044 -3.254 0.446 43 HD1 PHE 7 HD1 PHE 7 -3.861 -4.493 0.134 44 HD2 PHE 7 HD2 PHE 7 -6.530 -5.291 3.405 45 HE1 PHE 7 HE1 PHE 7 -2.734 -6.668 0.523 46 HE2 PHE 7 HE2 PHE 7 -5.403 -7.466 3.793 47 HZ PHE 7 HZ PHE 7 -3.505 -8.154 2.353 48 H PHE 8 HN PHE 8 -5.522 -1.420 -0.223 49 HA PHE 8 HA PHE 8 -3.084 -1.613 -1.524 50 1HB PHE 8 HB2 PHE 8 -5.542 -0.152 -1.737 51 2HB PHE 8 HB1 PHE 8 -4.213 0.940 -2.131 52 HD1 PHE 8 HD1 PHE 8 -2.224 -0.572 -3.450 53 HD2 PHE 8 HD2 PHE 8 -6.484 -1.081 -3.653 54 HE1 PHE 8 HE1 PHE 8 -1.988 -1.657 -5.667 55 HE2 PHE 8 HE2 PHE 8 -6.248 -2.166 -5.870 56 HZ PHE 8 HZ PHE 8 -4.000 -2.455 -6.877 57 H ARG 9 HN ARG 9 -4.134 1.260 0.359 58 HA ARG 9 HA ARG 9 -1.765 2.765 0.204 59 1HB ARG 9 HB2 ARG 9 -3.999 3.401 1.175 60 2HB ARG 9 HB1 ARG 9 -3.599 2.442 2.600 61 1HG ARG 9 HG2 ARG 9 -2.521 4.230 3.440 62 2HG ARG 9 HG1 ARG 9 -1.360 4.099 2.117 63 1HD ARG 9 HD2 ARG 9 -2.178 6.288 1.831 64 2HD ARG 9 HD1 ARG 9 -3.237 5.367 0.745 65 HE ARG 9 HE ARG 9 -4.064 6.630 3.223 66 1HH1 ARG 9 HH11 ARG 9 -5.659 5.826 0.678 67 2HH1 ARG 9 HH12 ARG 9 -6.782 4.702 1.368 68 1HH2 ARG 9 HH21 ARG 9 -5.017 4.354 4.333 69 2HH2 ARG 9 HH22 ARG 9 -6.419 3.869 3.438 70 H LEU 10 HN LEU 10 -2.668 0.556 2.889 71 HA LEU 10 HA LEU 10 -0.269 0.630 4.340 72 1HB LEU 10 HB2 LEU 10 -2.637 -1.002 4.079 73 2HB LEU 10 HB1 LEU 10 -1.233 -2.035 4.353 74 HG LEU 10 HG LEU 10 -0.610 -0.678 6.314 75 1HD1 LEU 10 HD11 LEU 10 -2.018 1.324 5.169 76 2HD1 LEU 10 HD12 LEU 10 -1.656 1.279 6.895 77 3HD1 LEU 10 HD13 LEU 10 -3.227 0.732 6.309 78 1HD2 LEU 10 HD21 LEU 10 -2.536 -1.310 7.760 79 2HD2 LEU 10 HD22 LEU 10 -2.084 -2.610 6.657 80 3HD2 LEU 10 HD23 LEU 10 -3.498 -1.614 6.313 81 H PHE 11 HN PHE 11 -1.116 -1.633 1.690 82 HA PHE 11 HA PHE 11 1.352 -3.049 1.619 83 1HB PHE 11 HB2 PHE 11 -1.100 -2.883 0.207 84 2HB PHE 11 HB1 PHE 11 0.176 -2.703 -0.997 85 HD1 PHE 11 HD1 PHE 11 0.728 -4.715 -2.022 86 HD2 PHE 11 HD2 PHE 11 -0.230 -4.694 2.166 87 HE1 PHE 11 HE1 PHE 11 1.183 -7.150 -1.905 88 HE2 PHE 11 HE2 PHE 11 0.225 -7.129 2.283 89 HZ PHE 11 HZ PHE 11 0.932 -8.357 0.246 90 H ASN 12 HN ASN 12 0.301 -0.169 -0.232 91 HA ASN 12 HA ASN 12 2.640 0.183 -1.798 92 1HB ASN 12 HB2 ASN 12 0.568 1.384 -2.190 93 2HB ASN 12 HB1 ASN 12 0.652 2.134 -0.596 94 1HD2 ASN 12 HD21 ASN 12 0.523 4.152 -2.155 95 2HD2 ASN 12 HD22 ASN 12 2.010 4.781 -2.676 96 H ARG 13 HN ARG 13 1.815 1.754 1.323 97 HA ARG 13 HA ARG 13 4.276 3.115 1.705 98 1HB ARG 13 HB2 ARG 13 1.860 2.816 2.993 99 2HB ARG 13 HB1 ARG 13 2.968 2.014 4.108 100 1HG ARG 13 HG2 ARG 13 4.343 3.977 4.282 101 2HG ARG 13 HG1 ARG 13 3.489 4.765 2.957 102 1HD ARG 13 HD2 ARG 13 1.995 5.621 4.425 103 2HD ARG 13 HD1 ARG 13 1.570 3.983 4.959 104 HE ARG 13 HE ARG 13 3.926 5.477 6.054 105 1HH1 ARG 13 HH21 ARG 13 2.939 2.434 6.333 106 2HH1 ARG 13 HH22 ARG 13 2.445 2.483 7.993 107 1HH2 ARG 13 HH11 ARG 13 2.561 5.943 8.199 108 2HH2 ARG 13 HH12 ARG 13 2.232 4.470 9.049 109 H SER 14 HN SER 14 3.263 -0.112 2.892 110 HA SER 14 HA SER 14 5.646 -0.799 4.266 111 1HB SER 14 HB2 SER 14 4.791 -3.082 4.006 112 2HB SER 14 HB1 SER 14 3.446 -1.984 4.301 113 HG SER 14 HG SER 14 4.159 -3.394 2.016 114 H PHE 15 HN PHE 15 4.757 -1.315 0.841 115 HA PHE 15 HA PHE 15 7.145 -2.711 0.083 116 1HB PHE 15 HB2 PHE 15 4.778 -2.208 -1.050 117 2HB PHE 15 HB1 PHE 15 5.689 -0.898 -1.801 118 HD1 PHE 15 HD1 PHE 15 4.478 -3.443 -3.142 119 HD2 PHE 15 HD2 PHE 15 8.396 -2.460 -1.681 120 HE1 PHE 15 HE1 PHE 15 5.479 -5.053 -4.742 121 HE2 PHE 15 HE2 PHE 15 9.397 -4.069 -3.281 122 HZ PHE 15 HZ PHE 15 7.938 -5.365 -4.813 123 H THR 16 HN THR 16 6.248 0.740 -0.332 124 HA THR 16 HA THR 16 8.772 1.584 -1.387 125 HB THR 16 HB THR 16 6.552 2.984 0.132 126 HG1 THR 16 HG1 THR 16 6.291 1.980 -2.040 127 1HG2 THR 16 HG21 THR 16 7.684 4.934 0.041 128 2HG2 THR 16 HG22 THR 16 8.206 4.635 -1.617 129 3HG2 THR 16 HG23 THR 16 9.122 3.961 -0.269 130 H GLN 17 HN GLN 17 7.477 1.668 1.951 131 HA GLN 17 HA GLN 17 9.773 2.855 3.177 132 1HB GLN 17 HB2 GLN 17 7.472 1.116 4.052 133 2HB GLN 17 HB1 GLN 17 8.722 1.581 5.207 134 1HG GLN 17 HG2 GLN 17 7.971 3.908 3.718 135 2HG GLN 17 HG1 GLN 17 6.502 3.130 4.311 136 1HE2 GLN 17 HE21 GLN 17 7.407 2.043 6.752 137 2HE2 GLN 17 HE22 GLN 17 7.875 3.303 7.790 138 H ALA 18 HN ALA 18 8.855 -0.577 2.742 139 HA ALA 18 HA ALA 18 11.122 -1.705 4.079 140 1HB ALA 18 HB1 ALA 18 9.100 -2.958 3.577 141 2HB ALA 18 HB2 ALA 18 10.442 -3.721 2.723 142 3HB ALA 18 HB3 ALA 18 9.315 -2.686 1.847 143 H LEU 19 HN LEU 19 10.541 -1.024 0.610 144 HA LEU 19 HA LEU 19 12.989 -1.998 -0.425 145 1HB LEU 19 HB2 LEU 19 10.789 -0.997 -1.482 146 2HB LEU 19 HB1 LEU 19 11.693 0.519 -1.438 147 HG LEU 19 HG LEU 19 13.600 -0.823 -2.566 148 1HD1 LEU 19 HD11 LEU 19 11.892 -2.932 -2.129 149 2HD1 LEU 19 HD12 LEU 19 13.198 -2.931 -3.315 150 3HD1 LEU 19 HD13 LEU 19 11.552 -2.535 -3.814 151 1HD2 LEU 19 HD21 LEU 19 12.747 0.706 -4.044 152 2HD2 LEU 19 HD22 LEU 19 11.078 0.243 -3.714 153 3HD2 LEU 19 HD23 LEU 19 12.064 -0.734 -4.802 154 H GLY 20 HN GLY 20 12.232 1.089 1.147 155 1HA GLY 20 HA2 GLY 20 14.876 2.213 0.563 156 2HA GLY 20 HA1 GLY 20 13.635 2.954 1.577 157 H LYS 21 HN LYS 21 13.883 -0.180 2.635 158 HA LYS 21 HA LYS 21 16.308 -0.256 4.128 159 1HB LYS 21 HB2 LYS 21 14.266 1.616 5.015 160 2HB LYS 21 HB1 LYS 21 14.620 0.428 6.270 161 1HG LYS 21 HG2 LYS 21 17.039 1.397 4.942 162 2HG LYS 21 HG1 LYS 21 16.128 2.695 5.716 163 1HD LYS 21 HD2 LYS 21 16.954 2.039 7.702 164 2HD LYS 21 HD1 LYS 21 16.096 0.508 7.518 165 1HE LYS 21 HE2 LYS 21 18.093 -0.249 6.070 166 2HE LYS 21 HE1 LYS 21 18.948 1.153 6.743 167 1HZ LYS 21 HZ1 LYS 21 18.905 -1.147 8.004 168 2HZ LYS 21 HZ2 LYS 21 17.428 -0.539 8.583 169 3HZ LYS 21 HZ3 LYS 21 18.866 0.325 8.847 170 1HN NH2 22 1HN NH2 22 12.990 -0.679 5.455 171 2HN NH2 22 2HN NH2 22 13.071 -2.371 5.562 Start of MODEL 26 1 1H SER 1 1H SER 1 -18.320 -2.310 -2.570 2 2H SER 1 2H SER 1 -18.197 -0.647 -2.242 3 3H SER 1 3H SER 1 -19.649 -1.293 -2.844 4 HA SER 1 HA SER 1 -19.579 -0.781 -0.363 5 1HB SER 1 HB2 SER 1 -20.263 -3.508 -1.504 6 2HB SER 1 HB1 SER 1 -20.907 -2.864 0.004 7 HG SER 1 HG SER 1 -22.267 -2.518 -1.855 8 H GLY 2 HN GLY 2 -17.175 -0.741 0.194 9 1HA GLY 2 HA2 GLY 2 -16.504 -2.615 2.166 10 2HA GLY 2 HA1 GLY 2 -15.760 -3.207 0.679 11 H SER 3 HN SER 3 -13.629 -2.794 1.485 12 HA SER 3 HA SER 3 -12.823 0.060 1.243 13 1HB SER 3 HB2 SER 3 -13.318 -0.365 3.622 14 2HB SER 3 HB1 SER 3 -12.237 -1.755 3.607 15 HG SER 3 HG SER 3 -11.543 0.603 4.234 16 H LEU 4 HN LEU 4 -11.424 -0.231 -0.487 17 HA LEU 4 HA LEU 4 -9.476 -2.498 -0.364 18 1HB LEU 4 HB2 LEU 4 -11.039 -1.124 -2.412 19 2HB LEU 4 HB1 LEU 4 -9.334 -1.232 -2.853 20 HG LEU 4 HG LEU 4 -9.339 -3.631 -2.555 21 1HD1 LEU 4 HD11 LEU 4 -10.734 -4.567 -1.059 22 2HD1 LEU 4 HD12 LEU 4 -12.094 -4.203 -2.120 23 3HD1 LEU 4 HD13 LEU 4 -11.600 -3.040 -0.890 24 1HD2 LEU 4 HD21 LEU 4 -10.235 -3.861 -4.611 25 2HD2 LEU 4 HD22 LEU 4 -10.959 -2.262 -4.442 26 3HD2 LEU 4 HD23 LEU 4 -11.861 -3.695 -3.950 27 H SER 5 HN SER 5 -9.756 1.015 -0.542 28 HA SER 5 HA SER 5 -7.143 1.772 -1.248 29 1HB SER 5 HB2 SER 5 -9.488 2.912 -0.189 30 2HB SER 5 HB1 SER 5 -8.214 3.348 0.945 31 HG SER 5 HG SER 5 -7.008 3.901 -1.080 32 H THR 6 HN THR 6 -8.370 1.293 2.093 33 HA THR 6 HA THR 6 -6.075 1.642 3.586 34 HB THR 6 HB THR 6 -7.073 -0.097 5.088 35 HG1 THR 6 HG1 THR 6 -8.289 -1.562 4.238 36 1HG2 THR 6 HG21 THR 6 -8.536 1.497 5.690 37 2HG2 THR 6 HG22 THR 6 -9.551 1.139 4.292 38 3HG2 THR 6 HG23 THR 6 -8.235 2.304 4.151 39 H PHE 7 HN PHE 7 -7.031 -1.567 2.285 40 HA PHE 7 HA PHE 7 -4.619 -2.924 2.856 41 1HB PHE 7 HB2 PHE 7 -7.066 -3.410 1.627 42 2HB PHE 7 HB1 PHE 7 -5.901 -3.674 0.330 43 HD1 PHE 7 HD1 PHE 7 -3.713 -5.021 1.094 44 HD2 PHE 7 HD2 PHE 7 -7.540 -5.203 3.037 45 HE1 PHE 7 HE1 PHE 7 -3.108 -7.214 2.081 46 HE2 PHE 7 HE2 PHE 7 -6.935 -7.397 4.023 47 HZ PHE 7 HZ PHE 7 -4.719 -8.402 3.545 48 H PHE 8 HN PHE 8 -5.565 -1.215 -0.148 49 HA PHE 8 HA PHE 8 -3.172 -1.702 -1.614 50 1HB PHE 8 HB2 PHE 8 -5.490 0.142 -1.644 51 2HB PHE 8 HB1 PHE 8 -4.063 0.723 -2.502 52 HD1 PHE 8 HD1 PHE 8 -7.020 -0.814 -3.120 53 HD2 PHE 8 HD2 PHE 8 -2.825 -1.532 -3.696 54 HE1 PHE 8 HE1 PHE 8 -7.539 -2.327 -5.016 55 HE2 PHE 8 HE2 PHE 8 -3.344 -3.046 -5.590 56 HZ PHE 8 HZ PHE 8 -5.701 -3.443 -6.250 57 H ARG 9 HN ARG 9 -4.050 1.464 -0.190 58 HA ARG 9 HA ARG 9 -1.563 2.699 -0.266 59 1HB ARG 9 HB2 ARG 9 -2.456 4.128 1.449 60 2HB ARG 9 HB1 ARG 9 -3.838 3.558 0.512 61 1HG ARG 9 HG2 ARG 9 -4.297 1.827 2.177 62 2HG ARG 9 HG1 ARG 9 -2.871 2.306 3.099 63 1HD ARG 9 HD2 ARG 9 -5.178 4.188 2.495 64 2HD ARG 9 HD1 ARG 9 -5.011 3.280 4.011 65 HE ARG 9 HE ARG 9 -2.634 4.820 3.201 66 1HH1 ARG 9 HH21 ARG 9 -5.673 5.702 4.254 67 2HH1 ARG 9 HH22 ARG 9 -5.151 6.446 5.729 68 1HH2 ARG 9 HH11 ARG 9 -1.883 5.321 5.449 69 2HH2 ARG 9 HH12 ARG 9 -3.004 6.230 6.405 70 H LEU 10 HN LEU 10 -2.728 0.348 2.132 71 HA LEU 10 HA LEU 10 -0.549 0.571 3.979 72 1HB LEU 10 HB2 LEU 10 -2.805 -0.543 4.272 73 2HB LEU 10 HB1 LEU 10 -2.204 -1.873 3.279 74 HG LEU 10 HG LEU 10 -0.189 -1.451 5.173 75 1HD1 LEU 10 HD11 LEU 10 -2.516 -0.302 6.205 76 2HD1 LEU 10 HD12 LEU 10 -1.102 -0.801 7.132 77 3HD1 LEU 10 HD13 LEU 10 -2.464 -1.904 6.939 78 1HD2 LEU 10 HD21 LEU 10 -1.578 -3.542 4.143 79 2HD2 LEU 10 HD22 LEU 10 -2.263 -3.493 5.767 80 3HD2 LEU 10 HD23 LEU 10 -0.524 -3.687 5.550 81 H PHE 11 HN PHE 11 -1.121 -1.924 1.460 82 HA PHE 11 HA PHE 11 1.392 -3.216 1.653 83 1HB PHE 11 HB2 PHE 11 -0.736 -3.878 0.410 84 2HB PHE 11 HB1 PHE 11 -0.232 -2.770 -0.867 85 HD1 PHE 11 HD1 PHE 11 2.296 -3.062 -1.651 86 HD2 PHE 11 HD2 PHE 11 -0.047 -6.102 0.278 87 HE1 PHE 11 HE1 PHE 11 3.799 -4.806 -2.574 88 HE2 PHE 11 HE2 PHE 11 1.456 -7.846 -0.645 89 HZ PHE 11 HZ PHE 11 3.379 -7.198 -2.071 90 H ASN 12 HN ASN 12 0.389 -0.547 -0.518 91 HA ASN 12 HA ASN 12 2.846 -0.217 -1.899 92 1HB ASN 12 HB2 ASN 12 0.440 0.827 -2.134 93 2HB ASN 12 HB1 ASN 12 1.092 2.091 -1.090 94 1HD2 ASN 12 HD21 ASN 12 0.521 3.133 -3.462 95 2HD2 ASN 12 HD22 ASN 12 1.874 3.272 -4.477 96 H ARG 13 HN ARG 13 1.662 1.606 0.961 97 HA ARG 13 HA ARG 13 3.978 3.135 1.457 98 1HB ARG 13 HB2 ARG 13 1.888 1.895 3.270 99 2HB ARG 13 HB1 ARG 13 3.070 3.078 3.837 100 1HG ARG 13 HG2 ARG 13 1.773 3.949 1.377 101 2HG ARG 13 HG1 ARG 13 0.602 3.652 2.662 102 1HD ARG 13 HD2 ARG 13 2.390 4.992 4.125 103 2HD ARG 13 HD1 ARG 13 2.799 5.681 2.542 104 HE ARG 13 HE ARG 13 0.008 5.674 3.636 105 1HH1 ARG 13 HH21 ARG 13 2.686 7.539 2.781 106 2HH1 ARG 13 HH22 ARG 13 1.787 8.729 1.899 107 1HH2 ARG 13 HH11 ARG 13 -1.206 6.989 2.085 108 2HH2 ARG 13 HH12 ARG 13 -0.417 8.417 1.505 109 H SER 14 HN SER 14 3.123 -0.058 2.854 110 HA SER 14 HA SER 14 5.480 -0.467 4.370 111 1HB SER 14 HB2 SER 14 3.715 -2.425 2.865 112 2HB SER 14 HB1 SER 14 4.824 -2.861 4.162 113 HG SER 14 HG SER 14 2.412 -2.271 4.537 114 H PHE 15 HN PHE 15 4.792 -1.282 0.959 115 HA PHE 15 HA PHE 15 7.258 -2.604 0.388 116 1HB PHE 15 HB2 PHE 15 4.893 -1.976 -0.892 117 2HB PHE 15 HB1 PHE 15 6.065 -0.985 -1.763 118 HD1 PHE 15 HD1 PHE 15 5.467 -4.469 -0.540 119 HD2 PHE 15 HD2 PHE 15 7.484 -1.950 -3.375 120 HE1 PHE 15 HE1 PHE 15 6.265 -6.477 -1.756 121 HE2 PHE 15 HE2 PHE 15 8.281 -3.958 -4.592 122 HZ PHE 15 HZ PHE 15 7.672 -6.222 -3.783 123 H THR 16 HN THR 16 6.296 0.812 -0.132 124 HA THR 16 HA THR 16 8.785 1.732 -1.166 125 HB THR 16 HB THR 16 7.879 3.944 -0.483 126 HG1 THR 16 HG1 THR 16 6.238 2.260 1.056 127 1HG2 THR 16 HG21 THR 16 6.882 2.311 -2.358 128 2HG2 THR 16 HG22 THR 16 6.173 3.890 -2.023 129 3HG2 THR 16 HG23 THR 16 5.453 2.435 -1.331 130 H GLN 17 HN GLN 17 7.574 1.601 2.195 131 HA GLN 17 HA GLN 17 9.829 2.853 3.433 132 1HB GLN 17 HB2 GLN 17 7.848 0.765 4.402 133 2HB GLN 17 HB1 GLN 17 8.903 1.707 5.458 134 1HG GLN 17 HG2 GLN 17 6.963 2.975 3.511 135 2HG GLN 17 HG1 GLN 17 6.554 2.632 5.192 136 1HE2 GLN 17 HE21 GLN 17 6.472 5.288 4.564 137 2HE2 GLN 17 HE22 GLN 17 7.833 6.108 5.160 138 H ALA 18 HN ALA 18 9.049 -0.636 3.095 139 HA ALA 18 HA ALA 18 11.559 -1.565 4.148 140 1HB ALA 18 HB1 ALA 18 9.105 -2.601 3.399 141 2HB ALA 18 HB2 ALA 18 10.501 -3.562 3.888 142 3HB ALA 18 HB3 ALA 18 10.190 -3.266 2.178 143 H LEU 19 HN LEU 19 10.370 -1.289 0.774 144 HA LEU 19 HA LEU 19 12.668 -2.187 -0.581 145 1HB LEU 19 HB2 LEU 19 10.529 -1.711 -1.649 146 2HB LEU 19 HB1 LEU 19 10.669 -0.001 -1.242 147 HG LEU 19 HG LEU 19 12.972 -1.111 -2.722 148 1HD1 LEU 19 HD11 LEU 19 11.894 -1.889 -4.541 149 2HD1 LEU 19 HD12 LEU 19 10.876 -0.451 -4.613 150 3HD1 LEU 19 HD13 LEU 19 10.397 -1.820 -3.609 151 1HD2 LEU 19 HD21 LEU 19 12.527 1.045 -4.010 152 2HD2 LEU 19 HD22 LEU 19 12.875 1.249 -2.293 153 3HD2 LEU 19 HD23 LEU 19 11.213 1.351 -2.874 154 H GLY 20 HN GLY 20 12.152 0.794 1.165 155 1HA GLY 20 HA2 GLY 20 14.705 1.890 0.065 156 2HA GLY 20 HA1 GLY 20 13.453 2.862 0.845 157 H LYS 21 HN LYS 21 13.645 0.070 2.627 158 HA LYS 21 HA LYS 21 14.550 1.141 5.010 159 1HB LYS 21 HB2 LYS 21 13.736 -1.263 4.184 160 2HB LYS 21 HB1 LYS 21 15.466 -1.603 4.244 161 1HG LYS 21 HG2 LYS 21 15.507 -0.737 6.592 162 2HG LYS 21 HG1 LYS 21 13.754 -0.562 6.519 163 1HD LYS 21 HD2 LYS 21 13.988 -2.678 7.488 164 2HD LYS 21 HD1 LYS 21 13.800 -3.077 5.780 165 1HE LYS 21 HE2 LYS 21 15.797 -4.139 5.859 166 2HE LYS 21 HE1 LYS 21 16.573 -2.582 6.213 167 1HZ LYS 21 HZ1 LYS 21 15.257 -4.339 8.217 168 2HZ LYS 21 HZ2 LYS 21 16.021 -2.856 8.539 169 3HZ LYS 21 HZ3 LYS 21 16.934 -4.187 8.006 170 1HN NH2 22 1HN NH2 22 16.753 0.825 6.123 171 2HN NH2 22 2HN NH2 22 18.158 1.007 5.190 Start of MODEL 27 1 1H SER 1 1H SER 1 -19.565 0.836 -4.447 2 2H SER 1 2H SER 1 -19.098 0.807 -6.081 3 3H SER 1 3H SER 1 -19.685 2.242 -5.387 4 HA SER 1 HA SER 1 -17.101 1.808 -5.694 5 1HB SER 1 HB2 SER 1 -17.819 3.901 -4.972 6 2HB SER 1 HB1 SER 1 -18.818 3.227 -3.688 7 HG SER 1 HG SER 1 -17.147 3.223 -2.395 8 H GLY 2 HN GLY 2 -15.311 1.322 -4.164 9 1HA GLY 2 HA2 GLY 2 -16.073 -0.668 -2.067 10 2HA GLY 2 HA1 GLY 2 -14.756 -0.999 -3.193 11 H SER 3 HN SER 3 -14.037 -1.071 -0.606 12 HA SER 3 HA SER 3 -12.649 1.553 -0.159 13 1HB SER 3 HB2 SER 3 -13.614 -0.441 1.912 14 2HB SER 3 HB1 SER 3 -12.976 1.172 2.217 15 HG SER 3 HG SER 3 -15.470 0.361 1.334 16 H LEU 4 HN LEU 4 -11.253 -0.138 -1.709 17 HA LEU 4 HA LEU 4 -9.650 -2.016 -0.095 18 1HB LEU 4 HB2 LEU 4 -10.306 -1.487 -2.862 19 2HB LEU 4 HB1 LEU 4 -8.557 -1.617 -2.673 20 HG LEU 4 HG LEU 4 -9.641 -3.823 -3.112 21 1HD1 LEU 4 HD11 LEU 4 -8.758 -4.804 -0.769 22 2HD1 LEU 4 HD12 LEU 4 -8.079 -3.180 -0.657 23 3HD1 LEU 4 HD13 LEU 4 -7.658 -4.222 -2.018 24 1HD2 LEU 4 HD21 LEU 4 -11.324 -2.861 -0.908 25 2HD2 LEU 4 HD22 LEU 4 -10.739 -4.505 -0.660 26 3HD2 LEU 4 HD23 LEU 4 -11.657 -4.106 -2.111 27 H SER 5 HN SER 5 -9.564 1.311 -0.863 28 HA SER 5 HA SER 5 -6.915 2.012 -1.282 29 1HB SER 5 HB2 SER 5 -9.178 3.136 0.333 30 2HB SER 5 HB1 SER 5 -7.606 3.925 0.423 31 HG SER 5 HG SER 5 -7.772 4.511 -1.624 32 H THR 6 HN THR 6 -8.395 1.253 1.892 33 HA THR 6 HA THR 6 -6.197 1.660 3.578 34 HB THR 6 HB THR 6 -7.354 -0.511 4.683 35 HG1 THR 6 HG1 THR 6 -9.327 -0.868 3.846 36 1HG2 THR 6 HG21 THR 6 -8.345 2.315 4.389 37 2HG2 THR 6 HG22 THR 6 -7.591 1.547 5.785 38 3HG2 THR 6 HG23 THR 6 -9.251 1.145 5.348 39 H PHE 7 HN PHE 7 -7.096 -1.589 2.353 40 HA PHE 7 HA PHE 7 -4.679 -2.893 2.975 41 1HB PHE 7 HB2 PHE 7 -7.093 -3.495 1.815 42 2HB PHE 7 HB1 PHE 7 -5.992 -3.674 0.448 43 HD1 PHE 7 HD1 PHE 7 -7.487 -5.447 3.012 44 HD2 PHE 7 HD2 PHE 7 -3.621 -4.827 1.243 45 HE1 PHE 7 HE1 PHE 7 -6.728 -7.631 3.906 46 HE2 PHE 7 HE2 PHE 7 -2.863 -7.011 2.139 47 HZ PHE 7 HZ PHE 7 -4.415 -8.414 3.470 48 H PHE 8 HN PHE 8 -5.610 -1.535 -0.216 49 HA PHE 8 HA PHE 8 -3.195 -1.959 -1.588 50 1HB PHE 8 HB2 PHE 8 -5.596 -0.831 -2.110 51 2HB PHE 8 HB1 PHE 8 -4.616 0.630 -1.977 52 HD1 PHE 8 HD1 PHE 8 -4.167 1.391 -4.146 53 HD2 PHE 8 HD2 PHE 8 -3.795 -2.795 -3.256 54 HE1 PHE 8 HE1 PHE 8 -3.255 0.988 -6.417 55 HE2 PHE 8 HE2 PHE 8 -2.883 -3.197 -5.527 56 HZ PHE 8 HZ PHE 8 -2.613 -1.305 -7.108 57 H ARG 9 HN ARG 9 -4.137 1.069 0.101 58 HA ARG 9 HA ARG 9 -1.680 2.433 -0.139 59 1HB ARG 9 HB2 ARG 9 -3.755 3.446 0.647 60 2HB ARG 9 HB1 ARG 9 -3.763 2.401 2.068 61 1HG ARG 9 HG2 ARG 9 -2.498 3.894 3.174 62 2HG ARG 9 HG1 ARG 9 -1.227 3.710 1.964 63 1HD ARG 9 HD2 ARG 9 -3.194 5.301 0.720 64 2HD ARG 9 HD1 ARG 9 -3.022 5.950 2.364 65 HE ARG 9 HE ARG 9 -0.574 6.105 1.950 66 1HH1 ARG 9 HH21 ARG 9 -1.748 7.969 -0.020 67 2HH1 ARG 9 HH22 ARG 9 -1.029 7.458 -1.512 68 1HH2 ARG 9 HH11 ARG 9 -0.031 4.374 -0.279 69 2HH2 ARG 9 HH12 ARG 9 -0.057 5.421 -1.658 70 H LEU 10 HN LEU 10 -2.766 0.242 2.478 71 HA LEU 10 HA LEU 10 -0.505 0.422 4.162 72 1HB LEU 10 HB2 LEU 10 -2.644 -0.708 4.675 73 2HB LEU 10 HB1 LEU 10 -2.265 -1.960 3.491 74 HG LEU 10 HG LEU 10 -0.359 -2.696 4.770 75 1HD1 LEU 10 HD11 LEU 10 -0.234 -1.383 7.138 76 2HD1 LEU 10 HD12 LEU 10 -0.750 -0.064 6.087 77 3HD1 LEU 10 HD13 LEU 10 0.742 -0.937 5.739 78 1HD2 LEU 10 HD21 LEU 10 -2.861 -3.130 5.559 79 2HD2 LEU 10 HD22 LEU 10 -2.339 -2.197 6.963 80 3HD2 LEU 10 HD23 LEU 10 -1.500 -3.687 6.532 81 H PHE 11 HN PHE 11 -1.116 -2.034 1.614 82 HA PHE 11 HA PHE 11 1.408 -3.322 1.740 83 1HB PHE 11 HB2 PHE 11 -0.921 -3.629 0.389 84 2HB PHE 11 HB1 PHE 11 0.086 -2.973 -0.902 85 HD1 PHE 11 HD1 PHE 11 2.160 -4.140 -1.602 86 HD2 PHE 11 HD2 PHE 11 -0.508 -5.821 1.315 87 HE1 PHE 11 HE1 PHE 11 3.248 -6.351 -1.881 88 HE2 PHE 11 HE2 PHE 11 0.580 -8.032 1.035 89 HZ PHE 11 HZ PHE 11 2.458 -8.297 -0.563 90 H ASN 12 HN ASN 12 0.351 -0.741 -0.522 91 HA ASN 12 HA ASN 12 2.786 -0.338 -1.877 92 1HB ASN 12 HB2 ASN 12 0.587 0.665 -2.426 93 2HB ASN 12 HB1 ASN 12 0.703 1.688 -0.994 94 1HD2 ASN 12 HD21 ASN 12 0.497 3.316 -3.012 95 2HD2 ASN 12 HD22 ASN 12 1.979 3.879 -3.618 96 H ARG 13 HN ARG 13 1.617 1.440 1.016 97 HA ARG 13 HA ARG 13 3.918 3.010 1.479 98 1HB ARG 13 HB2 ARG 13 1.906 3.431 2.683 99 2HB ARG 13 HB1 ARG 13 1.811 1.765 3.254 100 1HG ARG 13 HG2 ARG 13 3.348 2.104 4.925 101 2HG ARG 13 HG1 ARG 13 4.262 3.285 3.985 102 1HD ARG 13 HD2 ARG 13 3.266 4.871 5.277 103 2HD ARG 13 HD1 ARG 13 1.774 4.510 4.385 104 HE ARG 13 HE ARG 13 2.558 3.036 6.873 105 1HH1 ARG 13 HH21 ARG 13 0.237 3.240 4.475 106 2HH1 ARG 13 HH22 ARG 13 -1.119 3.379 5.544 107 1HH2 ARG 13 HH11 ARG 13 0.829 3.753 8.390 108 2HH2 ARG 13 HH12 ARG 13 -0.784 3.670 7.761 109 H SER 14 HN SER 14 3.144 -0.240 2.772 110 HA SER 14 HA SER 14 5.477 -0.629 4.329 111 1HB SER 14 HB2 SER 14 3.468 -2.060 4.334 112 2HB SER 14 HB1 SER 14 3.830 -2.587 2.694 113 HG SER 14 HG SER 14 5.378 -3.837 3.433 114 H PHE 15 HN PHE 15 4.888 -1.606 0.927 115 HA PHE 15 HA PHE 15 7.473 -2.663 0.398 116 1HB PHE 15 HB2 PHE 15 5.670 -3.069 -1.107 117 2HB PHE 15 HB1 PHE 15 5.320 -1.348 -1.271 118 HD1 PHE 15 HD1 PHE 15 8.018 -3.868 -1.896 119 HD2 PHE 15 HD2 PHE 15 6.261 -0.117 -3.033 120 HE1 PHE 15 HE1 PHE 15 9.555 -3.737 -3.838 121 HE2 PHE 15 HE2 PHE 15 7.798 0.014 -4.974 122 HZ PHE 15 HZ PHE 15 9.445 -1.795 -5.377 123 H THR 16 HN THR 16 6.214 0.658 -0.012 124 HA THR 16 HA THR 16 8.560 1.803 -1.170 125 HB THR 16 HB THR 16 6.346 2.917 0.581 126 HG1 THR 16 HG1 THR 16 6.800 2.911 -2.219 127 1HG2 THR 16 HG21 THR 16 7.070 5.084 0.116 128 2HG2 THR 16 HG22 THR 16 8.018 4.574 -1.282 129 3HG2 THR 16 HG23 THR 16 8.602 4.242 0.349 130 H GLN 17 HN GLN 17 7.494 1.691 2.252 131 HA GLN 17 HA GLN 17 9.761 3.018 3.365 132 1HB GLN 17 HB2 GLN 17 7.369 1.788 4.190 133 2HB GLN 17 HB1 GLN 17 8.648 0.931 5.052 134 1HG GLN 17 HG2 GLN 17 9.577 3.112 5.798 135 2HG GLN 17 HG1 GLN 17 8.238 3.935 4.997 136 1HE2 GLN 17 HE21 GLN 17 8.511 1.069 7.190 137 2HE2 GLN 17 HE22 GLN 17 7.272 1.572 8.234 138 H ALA 18 HN ALA 18 9.114 -0.476 2.911 139 HA ALA 18 HA ALA 18 11.600 -1.396 4.008 140 1HB ALA 18 HB1 ALA 18 9.320 -2.407 2.415 141 2HB ALA 18 HB2 ALA 18 10.118 -3.127 3.813 142 3HB ALA 18 HB3 ALA 18 10.823 -3.305 2.207 143 H LEU 19 HN LEU 19 10.582 -0.859 0.612 144 HA LEU 19 HA LEU 19 12.971 -1.595 -0.688 145 1HB LEU 19 HB2 LEU 19 10.918 -1.098 -1.867 146 2HB LEU 19 HB1 LEU 19 10.910 0.557 -1.254 147 HG LEU 19 HG LEU 19 13.325 -0.333 -2.764 148 1HD1 LEU 19 HD11 LEU 19 10.575 0.026 -3.925 149 2HD1 LEU 19 HD12 LEU 19 11.814 -1.157 -4.346 150 3HD1 LEU 19 HD13 LEU 19 11.988 0.522 -4.857 151 1HD2 LEU 19 HD21 LEU 19 11.715 2.193 -2.376 152 2HD2 LEU 19 HD22 LEU 19 12.929 2.070 -3.650 153 3HD2 LEU 19 HD23 LEU 19 13.403 1.893 -1.960 154 H GLY 20 HN GLY 20 12.155 1.408 1.004 155 1HA GLY 20 HA2 GLY 20 14.536 2.823 0.100 156 2HA GLY 20 HA1 GLY 20 13.445 3.350 1.384 157 H LYS 21 HN LYS 21 14.209 0.206 2.114 158 HA LYS 21 HA LYS 21 16.756 0.885 3.513 159 1HB LYS 21 HB2 LYS 21 14.082 0.138 4.690 160 2HB LYS 21 HB1 LYS 21 15.573 -0.229 5.560 161 1HG LYS 21 HG2 LYS 21 16.216 2.216 5.245 162 2HG LYS 21 HG1 LYS 21 14.562 2.489 4.695 163 1HD LYS 21 HD2 LYS 21 14.394 2.954 6.981 164 2HD LYS 21 HD1 LYS 21 13.901 1.261 6.913 165 1HE LYS 21 HE2 LYS 21 15.583 0.748 8.338 166 2HE LYS 21 HE1 LYS 21 16.752 1.315 7.128 167 1HZ LYS 21 HZ1 LYS 21 16.613 2.535 9.388 168 2HZ LYS 21 HZ2 LYS 21 15.222 3.256 8.732 169 3HZ LYS 21 HZ3 LYS 21 16.725 3.451 7.965 170 1HN NH2 22 1HN NH2 22 18.008 -1.058 4.032 171 2HN NH2 22 2HN NH2 22 17.595 -2.583 3.410 Start of MODEL 28 1 1H SER 1 1H SER 1 -16.713 2.379 -9.488 2 2H SER 1 2H SER 1 -15.225 1.558 -9.528 3 3H SER 1 3H SER 1 -15.265 3.254 -9.618 4 HA SER 1 HA SER 1 -15.614 3.524 -7.390 5 1HB SER 1 HB2 SER 1 -16.861 1.725 -6.133 6 2HB SER 1 HB1 SER 1 -17.762 2.398 -7.489 7 HG SER 1 HG SER 1 -17.757 0.489 -8.349 8 H GLY 2 HN GLY 2 -15.325 0.008 -7.221 9 1HA GLY 2 HA2 GLY 2 -13.296 -1.282 -7.017 10 2HA GLY 2 HA1 GLY 2 -12.394 0.220 -6.808 11 H SER 3 HN SER 3 -11.420 -0.734 -4.880 12 HA SER 3 HA SER 3 -12.590 0.077 -2.430 13 1HB SER 3 HB2 SER 3 -12.973 -2.555 -1.819 14 2HB SER 3 HB1 SER 3 -14.257 -1.489 -2.382 15 HG SER 3 HG SER 3 -14.377 -2.962 -3.901 16 H LEU 4 HN LEU 4 -11.621 -1.842 -0.652 17 HA LEU 4 HA LEU 4 -9.616 -2.657 0.302 18 1HB LEU 4 HB2 LEU 4 -9.608 -3.216 -2.538 19 2HB LEU 4 HB1 LEU 4 -7.964 -2.915 -1.976 20 HG LEU 4 HG LEU 4 -8.678 -4.495 0.013 21 1HD1 LEU 4 HD11 LEU 4 -10.825 -4.803 -2.003 22 2HD1 LEU 4 HD12 LEU 4 -10.852 -5.130 -0.271 23 3HD1 LEU 4 HD13 LEU 4 -10.154 -6.310 -1.380 24 1HD2 LEU 4 HD21 LEU 4 -6.891 -5.233 -1.305 25 2HD2 LEU 4 HD22 LEU 4 -7.843 -5.200 -2.789 26 3HD2 LEU 4 HD23 LEU 4 -8.096 -6.485 -1.608 27 H SER 5 HN SER 5 -10.048 0.306 -0.720 28 HA SER 5 HA SER 5 -7.687 1.579 -1.438 29 1HB SER 5 HB2 SER 5 -10.169 2.291 -0.540 30 2HB SER 5 HB1 SER 5 -9.168 2.803 0.816 31 HG SER 5 HG SER 5 -8.372 4.339 -0.382 32 H THR 6 HN THR 6 -8.681 1.164 1.986 33 HA THR 6 HA THR 6 -6.334 1.937 3.260 34 HB THR 6 HB THR 6 -7.145 -0.129 4.813 35 HG1 THR 6 HG1 THR 6 -8.557 -1.016 3.382 36 1HG2 THR 6 HG21 THR 6 -9.030 1.503 5.545 37 2HG2 THR 6 HG22 THR 6 -8.379 2.570 4.300 38 3HG2 THR 6 HG23 THR 6 -7.360 2.059 5.646 39 H PHE 7 HN PHE 7 -7.103 -1.424 2.255 40 HA PHE 7 HA PHE 7 -4.659 -2.642 2.934 41 1HB PHE 7 HB2 PHE 7 -6.988 -3.410 1.827 42 2HB PHE 7 HB1 PHE 7 -5.997 -3.378 0.369 43 HD1 PHE 7 HD1 PHE 7 -7.226 -5.656 2.460 44 HD2 PHE 7 HD2 PHE 7 -3.361 -4.186 1.296 45 HE1 PHE 7 HE1 PHE 7 -6.208 -7.824 3.103 46 HE2 PHE 7 HE2 PHE 7 -2.343 -6.355 1.940 47 HZ PHE 7 HZ PHE 7 -3.766 -8.173 2.843 48 H PHE 8 HN PHE 8 -5.554 -1.215 -0.236 49 HA PHE 8 HA PHE 8 -3.105 -1.592 -1.580 50 1HB PHE 8 HB2 PHE 8 -5.237 -0.782 -2.554 51 2HB PHE 8 HB1 PHE 8 -5.041 0.746 -1.696 52 HD1 PHE 8 HD1 PHE 8 -3.725 2.487 -2.601 53 HD2 PHE 8 HD2 PHE 8 -3.405 -1.485 -4.204 54 HE1 PHE 8 HE1 PHE 8 -2.307 3.346 -4.447 55 HE2 PHE 8 HE2 PHE 8 -1.988 -0.626 -6.049 56 HZ PHE 8 HZ PHE 8 -1.438 1.788 -6.171 57 H ARG 9 HN ARG 9 -4.132 1.326 0.244 58 HA ARG 9 HA ARG 9 -1.740 2.803 0.043 59 1HB ARG 9 HB2 ARG 9 -3.998 3.469 0.982 60 2HB ARG 9 HB1 ARG 9 -3.566 2.600 2.456 61 1HG ARG 9 HG2 ARG 9 -1.991 4.155 3.081 62 2HG ARG 9 HG1 ARG 9 -1.583 4.566 1.413 63 1HD ARG 9 HD2 ARG 9 -4.353 5.261 2.083 64 2HD ARG 9 HD1 ARG 9 -3.164 6.115 3.087 65 HE ARG 9 HE ARG 9 -2.977 6.053 0.097 66 1HH1 ARG 9 HH11 ARG 9 -4.095 8.132 2.356 67 2HH1 ARG 9 HH12 ARG 9 -2.944 9.397 2.080 68 1HH2 ARG 9 HH21 ARG 9 -0.888 7.451 0.078 69 2HH2 ARG 9 HH22 ARG 9 -1.128 9.011 0.790 70 H LEU 10 HN LEU 10 -2.692 0.535 2.656 71 HA LEU 10 HA LEU 10 -0.336 0.675 4.207 72 1HB LEU 10 HB2 LEU 10 -2.714 -0.673 4.241 73 2HB LEU 10 HB1 LEU 10 -1.595 -1.984 3.866 74 HG LEU 10 HG LEU 10 -0.580 -0.213 5.961 75 1HD1 LEU 10 HD11 LEU 10 -3.046 -0.075 6.404 76 2HD1 LEU 10 HD12 LEU 10 -2.149 -0.869 7.698 77 3HD1 LEU 10 HD13 LEU 10 -3.076 -1.832 6.547 78 1HD2 LEU 10 HD21 LEU 10 -0.234 -2.412 7.073 79 2HD2 LEU 10 HD22 LEU 10 0.379 -2.409 5.419 80 3HD2 LEU 10 HD23 LEU 10 -1.159 -3.189 5.787 81 H PHE 11 HN PHE 11 -1.092 -1.538 1.492 82 HA PHE 11 HA PHE 11 1.354 -2.992 1.501 83 1HB PHE 11 HB2 PHE 11 -0.539 -3.757 0.251 84 2HB PHE 11 HB1 PHE 11 -0.660 -2.233 -0.628 85 HD1 PHE 11 HD1 PHE 11 0.383 -2.002 -2.714 86 HD2 PHE 11 HD2 PHE 11 1.695 -5.084 -0.025 87 HE1 PHE 11 HE1 PHE 11 1.893 -2.892 -4.469 88 HE2 PHE 11 HE2 PHE 11 3.206 -5.973 -1.779 89 HZ PHE 11 HZ PHE 11 3.304 -4.876 -4.002 90 H ASN 12 HN ASN 12 0.428 -0.119 -0.438 91 HA ASN 12 HA ASN 12 2.884 0.241 -1.804 92 1HB ASN 12 HB2 ASN 12 0.911 1.443 -2.438 93 2HB ASN 12 HB1 ASN 12 0.726 2.122 -0.820 94 1HD2 ASN 12 HD21 ASN 12 3.551 1.930 -3.067 95 2HD2 ASN 12 HD22 ASN 12 3.889 3.594 -3.013 96 H ARG 13 HN ARG 13 1.813 1.604 1.329 97 HA ARG 13 HA ARG 13 4.179 3.115 1.872 98 1HB ARG 13 HB2 ARG 13 1.735 2.849 2.965 99 2HB ARG 13 HB1 ARG 13 2.641 1.824 4.079 100 1HG ARG 13 HG2 ARG 13 3.623 3.604 5.058 101 2HG ARG 13 HG1 ARG 13 4.058 4.306 3.500 102 1HD ARG 13 HD2 ARG 13 2.179 5.633 3.425 103 2HD ARG 13 HD1 ARG 13 1.172 4.423 4.246 104 HE ARG 13 HE ARG 13 1.882 5.304 6.333 105 1HH1 ARG 13 HH21 ARG 13 2.111 7.936 4.873 106 2HH1 ARG 13 HH22 ARG 13 3.710 8.442 5.310 107 1HH2 ARG 13 HH11 ARG 13 4.689 5.302 6.408 108 2HH2 ARG 13 HH12 ARG 13 5.168 6.950 6.180 109 H SER 14 HN SER 14 3.209 -0.110 3.118 110 HA SER 14 HA SER 14 5.559 -0.743 4.531 111 1HB SER 14 HB2 SER 14 3.263 -2.100 3.315 112 2HB SER 14 HB1 SER 14 4.695 -3.124 3.388 113 HG SER 14 HG SER 14 3.899 -1.575 5.605 114 H PHE 15 HN PHE 15 4.814 -1.411 1.090 115 HA PHE 15 HA PHE 15 7.328 -2.643 0.465 116 1HB PHE 15 HB2 PHE 15 4.878 -2.011 -0.766 117 2HB PHE 15 HB1 PHE 15 6.101 -1.179 -1.726 118 HD1 PHE 15 HD1 PHE 15 8.060 -2.481 -2.641 119 HD2 PHE 15 HD2 PHE 15 4.666 -4.386 -0.821 120 HE1 PHE 15 HE1 PHE 15 8.709 -4.635 -3.685 121 HE2 PHE 15 HE2 PHE 15 5.316 -6.540 -1.865 122 HZ PHE 15 HZ PHE 15 7.336 -6.665 -3.297 123 H THR 16 HN THR 16 6.170 0.711 -0.065 124 HA THR 16 HA THR 16 8.489 1.802 -1.228 125 HB THR 16 HB THR 16 7.594 3.919 -0.016 126 HG1 THR 16 HG1 THR 16 6.011 3.633 1.333 127 1HG2 THR 16 HG21 THR 16 6.677 2.420 -2.228 128 2HG2 THR 16 HG22 THR 16 6.415 4.136 -1.916 129 3HG2 THR 16 HG23 THR 16 5.236 2.948 -1.359 130 H GLN 17 HN GLN 17 7.695 1.444 2.239 131 HA GLN 17 HA GLN 17 10.120 2.681 3.204 132 1HB GLN 17 HB2 GLN 17 8.080 0.771 4.377 133 2HB GLN 17 HB1 GLN 17 9.373 1.501 5.329 134 1HG GLN 17 HG2 GLN 17 8.545 3.716 4.914 135 2HG GLN 17 HG1 GLN 17 7.413 3.129 3.695 136 1HE2 GLN 17 HE21 GLN 17 5.321 2.737 4.440 137 2HE2 GLN 17 HE22 GLN 17 4.898 2.491 6.065 138 H ALA 18 HN ALA 18 9.128 -0.765 3.031 139 HA ALA 18 HA ALA 18 11.556 -1.925 3.890 140 1HB ALA 18 HB1 ALA 18 9.998 -3.564 3.657 141 2HB ALA 18 HB2 ALA 18 10.521 -3.645 1.975 142 3HB ALA 18 HB3 ALA 18 9.124 -2.663 2.418 143 H LEU 19 HN LEU 19 10.535 -1.044 0.576 144 HA LEU 19 HA LEU 19 12.714 -2.010 -0.898 145 1HB LEU 19 HB2 LEU 19 10.483 -0.516 -1.351 146 2HB LEU 19 HB1 LEU 19 11.734 0.712 -1.553 147 HG LEU 19 HG LEU 19 11.477 -1.913 -3.039 148 1HD1 LEU 19 HD11 LEU 19 11.111 0.985 -3.661 149 2HD1 LEU 19 HD12 LEU 19 10.211 -0.412 -4.252 150 3HD1 LEU 19 HD13 LEU 19 11.798 -0.039 -4.922 151 1HD2 LEU 19 HD21 LEU 19 13.595 -0.615 -4.180 152 2HD2 LEU 19 HD22 LEU 19 13.758 -1.893 -2.975 153 3HD2 LEU 19 HD23 LEU 19 13.824 -0.201 -2.480 154 H GLY 20 HN GLY 20 12.428 1.307 0.449 155 1HA GLY 20 HA2 GLY 20 14.311 2.281 1.722 156 2HA GLY 20 HA1 GLY 20 15.405 1.329 0.715 157 H LYS 21 HN LYS 21 13.030 2.403 -1.336 158 HA LYS 21 HA LYS 21 14.736 4.214 -2.744 159 1HB LYS 21 HB2 LYS 21 11.722 3.837 -2.727 160 2HB LYS 21 HB1 LYS 21 12.619 4.693 -3.982 161 1HG LYS 21 HG2 LYS 21 12.809 1.761 -3.253 162 2HG LYS 21 HG1 LYS 21 12.295 2.458 -4.790 163 1HD LYS 21 HD2 LYS 21 14.704 3.570 -4.707 164 2HD LYS 21 HD1 LYS 21 15.053 2.196 -3.656 165 1HE LYS 21 HE2 LYS 21 15.560 1.389 -5.835 166 2HE LYS 21 HE1 LYS 21 13.924 0.770 -5.534 167 1HZ LYS 21 HZ1 LYS 21 14.727 3.147 -7.102 168 2HZ LYS 21 HZ2 LYS 21 13.149 2.980 -6.492 169 3HZ LYS 21 HZ3 LYS 21 13.763 1.841 -7.592 170 1HN NH2 22 1HN NH2 22 13.710 6.603 -3.226 171 2HN NH2 22 2HN NH2 22 13.380 7.510 -1.830 Start of MODEL 29 1 1H SER 1 1H SER 1 -18.766 0.899 -7.679 2 2H SER 1 2H SER 1 -18.283 -0.283 -6.557 3 3H SER 1 3H SER 1 -18.017 -0.525 -8.217 4 HA SER 1 HA SER 1 -16.338 1.113 -8.313 5 1HB SER 1 HB2 SER 1 -16.070 2.701 -6.487 6 2HB SER 1 HB1 SER 1 -17.771 2.661 -6.940 7 HG SER 1 HG SER 1 -16.483 1.706 -4.657 8 H GLY 2 HN GLY 2 -14.758 1.434 -5.806 9 1HA GLY 2 HA2 GLY 2 -14.096 -1.433 -5.271 10 2HA GLY 2 HA1 GLY 2 -12.832 -0.248 -5.603 11 H SER 3 HN SER 3 -12.585 -1.532 -3.246 12 HA SER 3 HA SER 3 -12.968 0.637 -1.293 13 1HB SER 3 HB2 SER 3 -15.133 -0.654 -1.409 14 2HB SER 3 HB1 SER 3 -14.249 -2.083 -0.881 15 HG SER 3 HG SER 3 -13.579 -0.739 0.952 16 H LEU 4 HN LEU 4 -10.551 -0.287 -2.147 17 HA LEU 4 HA LEU 4 -9.615 -2.030 0.111 18 1HB LEU 4 HB2 LEU 4 -9.435 -2.275 -2.784 19 2HB LEU 4 HB1 LEU 4 -7.834 -2.284 -2.043 20 HG LEU 4 HG LEU 4 -9.058 -3.932 -0.328 21 1HD1 LEU 4 HD11 LEU 4 -10.886 -3.669 -2.585 22 2HD1 LEU 4 HD12 LEU 4 -11.140 -4.456 -1.027 23 3HD1 LEU 4 HD13 LEU 4 -10.377 -5.341 -2.347 24 1HD2 LEU 4 HD21 LEU 4 -7.052 -4.477 -1.631 25 2HD2 LEU 4 HD22 LEU 4 -8.031 -4.700 -3.080 26 3HD2 LEU 4 HD23 LEU 4 -8.202 -5.811 -1.721 27 H SER 5 HN SER 5 -9.675 1.047 -0.637 28 HA SER 5 HA SER 5 -7.172 2.138 -1.093 29 1HB SER 5 HB2 SER 5 -8.013 4.035 0.089 30 2HB SER 5 HB1 SER 5 -9.441 3.212 -0.533 31 HG SER 5 HG SER 5 -8.517 3.505 2.064 32 H THR 6 HN THR 6 -8.384 1.193 2.152 33 HA THR 6 HA THR 6 -6.027 1.671 3.623 34 HB THR 6 HB THR 6 -8.196 -0.435 3.878 35 HG1 THR 6 HG1 THR 6 -7.822 2.211 4.711 36 1HG2 THR 6 HG21 THR 6 -7.494 -0.477 6.295 37 2HG2 THR 6 HG22 THR 6 -6.068 0.454 5.840 38 3HG2 THR 6 HG23 THR 6 -6.305 -1.169 5.192 39 H PHE 7 HN PHE 7 -7.090 -1.539 2.412 40 HA PHE 7 HA PHE 7 -4.735 -2.976 2.938 41 1HB PHE 7 HB2 PHE 7 -7.149 -3.192 1.356 42 2HB PHE 7 HB1 PHE 7 -5.787 -3.886 0.475 43 HD1 PHE 7 HD1 PHE 7 -5.371 -6.141 0.846 44 HD2 PHE 7 HD2 PHE 7 -7.046 -3.776 4.017 45 HE1 PHE 7 HE1 PHE 7 -5.449 -8.148 2.302 46 HE2 PHE 7 HE2 PHE 7 -7.123 -5.782 5.472 47 HZ PHE 7 HZ PHE 7 -6.325 -7.968 4.614 48 H PHE 8 HN PHE 8 -5.590 -1.756 -0.325 49 HA PHE 8 HA PHE 8 -3.108 -2.084 -1.565 50 1HB PHE 8 HB2 PHE 8 -5.546 -1.044 -2.193 51 2HB PHE 8 HB1 PHE 8 -4.576 0.428 -2.147 52 HD1 PHE 8 HD1 PHE 8 -3.814 1.071 -4.248 53 HD2 PHE 8 HD2 PHE 8 -3.991 -3.109 -3.276 54 HE1 PHE 8 HE1 PHE 8 -2.861 0.516 -6.468 55 HE2 PHE 8 HE2 PHE 8 -3.037 -3.665 -5.497 56 HZ PHE 8 HZ PHE 8 -2.473 -1.853 -7.093 57 H ARG 9 HN ARG 9 -4.245 0.973 -0.060 58 HA ARG 9 HA ARG 9 -1.895 2.477 -0.258 59 1HB ARG 9 HB2 ARG 9 -4.091 3.263 0.562 60 2HB ARG 9 HB1 ARG 9 -3.883 2.312 2.033 61 1HG ARG 9 HG2 ARG 9 -2.732 4.001 2.966 62 2HG ARG 9 HG1 ARG 9 -1.533 3.896 1.676 63 1HD ARG 9 HD2 ARG 9 -2.242 6.016 1.168 64 2HD ARG 9 HD1 ARG 9 -3.613 5.186 0.405 65 HE ARG 9 HE ARG 9 -4.964 5.840 2.236 66 1HH1 ARG 9 HH21 ARG 9 -3.375 8.268 2.643 67 2HH1 ARG 9 HH22 ARG 9 -2.846 8.130 4.287 68 1HH2 ARG 9 HH11 ARG 9 -3.525 4.736 4.498 69 2HH2 ARG 9 HH12 ARG 9 -2.932 6.131 5.337 70 H LEU 10 HN LEU 10 -2.822 0.328 2.463 71 HA LEU 10 HA LEU 10 -0.505 0.637 4.046 72 1HB LEU 10 HB2 LEU 10 -2.672 -0.558 4.565 73 2HB LEU 10 HB1 LEU 10 -2.100 -1.901 3.574 74 HG LEU 10 HG LEU 10 0.013 -1.224 5.347 75 1HD1 LEU 10 HD11 LEU 10 -0.922 -1.169 7.488 76 2HD1 LEU 10 HD12 LEU 10 -2.451 -1.864 6.945 77 3HD1 LEU 10 HD13 LEU 10 -2.066 -0.183 6.576 78 1HD2 LEU 10 HD21 LEU 10 -0.007 -3.494 5.708 79 2HD2 LEU 10 HD22 LEU 10 -1.072 -3.465 4.301 80 3HD2 LEU 10 HD23 LEU 10 -1.757 -3.549 5.926 81 H PHE 11 HN PHE 11 -1.138 -1.937 1.621 82 HA PHE 11 HA PHE 11 1.371 -3.211 1.697 83 1HB PHE 11 HB2 PHE 11 -0.971 -3.418 0.302 84 2HB PHE 11 HB1 PHE 11 0.119 -2.847 -0.962 85 HD1 PHE 11 HD1 PHE 11 2.264 -4.106 -1.409 86 HD2 PHE 11 HD2 PHE 11 -0.833 -5.645 1.138 87 HE1 PHE 11 HE1 PHE 11 3.234 -6.380 -1.602 88 HE2 PHE 11 HE2 PHE 11 0.137 -7.918 0.945 89 HZ PHE 11 HZ PHE 11 2.172 -8.286 -0.426 90 H ASN 12 HN ASN 12 0.356 -0.605 -0.555 91 HA ASN 12 HA ASN 12 2.806 -0.212 -1.883 92 1HB ASN 12 HB2 ASN 12 0.772 1.862 -0.999 93 2HB ASN 12 HB1 ASN 12 1.881 2.009 -2.365 94 1HD2 ASN 12 HD21 ASN 12 1.499 -0.937 -3.029 95 2HD2 ASN 12 HD22 ASN 12 -0.021 -1.015 -3.782 96 H ARG 13 HN ARG 13 1.637 1.488 1.053 97 HA ARG 13 HA ARG 13 3.920 3.080 1.539 98 1HB ARG 13 HB2 ARG 13 1.747 3.262 2.688 99 2HB ARG 13 HB1 ARG 13 2.022 1.705 3.470 100 1HG ARG 13 HG2 ARG 13 3.556 2.561 4.945 101 2HG ARG 13 HG1 ARG 13 4.162 3.746 3.788 102 1HD ARG 13 HD2 ARG 13 2.981 4.976 5.508 103 2HD ARG 13 HD1 ARG 13 1.934 4.975 4.075 104 HE ARG 13 HE ARG 13 1.046 2.741 5.261 105 1HH1 ARG 13 HH11 ARG 13 0.654 5.959 5.928 106 2HH1 ARG 13 HH12 ARG 13 0.133 5.760 7.568 107 1HH2 ARG 13 HH21 ARG 13 0.924 2.387 7.691 108 2HH2 ARG 13 HH22 ARG 13 0.287 3.738 8.566 109 H SER 14 HN SER 14 3.165 -0.103 3.022 110 HA SER 14 HA SER 14 5.583 -0.500 4.405 111 1HB SER 14 HB2 SER 14 3.288 -2.000 3.498 112 2HB SER 14 HB1 SER 14 4.740 -2.983 3.333 113 HG SER 14 HG SER 14 5.218 -2.374 5.535 114 H PHE 15 HN PHE 15 4.803 -1.265 1.006 115 HA PHE 15 HA PHE 15 7.269 -2.558 0.347 116 1HB PHE 15 HB2 PHE 15 4.844 -1.799 -0.866 117 2HB PHE 15 HB1 PHE 15 6.103 -1.011 -1.817 118 HD1 PHE 15 HD1 PHE 15 8.310 -3.056 -1.250 119 HD2 PHE 15 HD2 PHE 15 4.210 -3.494 -2.456 120 HE1 PHE 15 HE1 PHE 15 8.857 -5.224 -2.325 121 HE2 PHE 15 HE2 PHE 15 4.757 -5.661 -3.530 122 HZ PHE 15 HZ PHE 15 7.081 -6.527 -3.464 123 H THR 16 HN THR 16 6.246 0.852 -0.076 124 HA THR 16 HA THR 16 8.694 1.810 -1.188 125 HB THR 16 HB THR 16 6.430 3.032 0.401 126 HG1 THR 16 HG1 THR 16 7.095 3.698 -2.214 127 1HG2 THR 16 HG21 THR 16 8.409 4.395 0.841 128 2HG2 THR 16 HG22 THR 16 7.342 5.245 -0.277 129 3HG2 THR 16 HG23 THR 16 8.789 4.437 -0.881 130 H GLN 17 HN GLN 17 7.593 1.538 2.193 131 HA GLN 17 HA GLN 17 9.855 2.859 3.382 132 1HB GLN 17 HB2 GLN 17 7.813 2.575 4.606 133 2HB GLN 17 HB1 GLN 17 7.809 0.834 4.321 134 1HG GLN 17 HG2 GLN 17 10.289 1.578 5.573 135 2HG GLN 17 HG1 GLN 17 8.946 2.221 6.519 136 1HE2 GLN 17 HE21 GLN 17 10.705 -0.065 7.257 137 2HE2 GLN 17 HE22 GLN 17 9.682 -1.409 7.426 138 H ALA 18 HN ALA 18 9.092 -0.642 3.134 139 HA ALA 18 HA ALA 18 11.644 -1.541 4.088 140 1HB ALA 18 HB1 ALA 18 10.444 -3.413 2.286 141 2HB ALA 18 HB2 ALA 18 9.150 -2.579 3.146 142 3HB ALA 18 HB3 ALA 18 10.405 -3.428 4.049 143 H LEU 19 HN LEU 19 10.344 -1.313 0.752 144 HA LEU 19 HA LEU 19 12.624 -2.190 -0.656 145 1HB LEU 19 HB2 LEU 19 10.354 -1.725 -1.568 146 2HB LEU 19 HB1 LEU 19 10.650 0.003 -1.374 147 HG LEU 19 HG LEU 19 12.656 -0.235 -2.865 148 1HD1 LEU 19 HD11 LEU 19 11.555 -3.045 -3.072 149 2HD1 LEU 19 HD12 LEU 19 13.193 -2.551 -2.641 150 3HD1 LEU 19 HD13 LEU 19 12.619 -2.356 -4.298 151 1HD2 LEU 19 HD21 LEU 19 10.755 -1.223 -4.751 152 2HD2 LEU 19 HD22 LEU 19 11.200 0.455 -4.440 153 3HD2 LEU 19 HD23 LEU 19 9.872 -0.285 -3.547 154 H GLY 20 HN GLY 20 11.940 0.959 0.805 155 1HA GLY 20 HA2 GLY 20 14.337 2.175 -0.403 156 2HA GLY 20 HA1 GLY 20 13.218 2.972 0.707 157 H LYS 21 HN LYS 21 13.877 0.025 2.082 158 HA LYS 21 HA LYS 21 16.513 0.495 3.197 159 1HB LYS 21 HB2 LYS 21 15.466 2.334 4.306 160 2HB LYS 21 HB1 LYS 21 14.025 1.383 4.672 161 1HG LYS 21 HG2 LYS 21 14.996 0.351 6.470 162 2HG LYS 21 HG1 LYS 21 16.589 0.307 5.713 163 1HD LYS 21 HD2 LYS 21 15.544 3.004 6.384 164 2HD LYS 21 HD1 LYS 21 15.975 1.979 7.752 165 1HE LYS 21 HE2 LYS 21 18.180 2.330 7.372 166 2HE LYS 21 HE1 LYS 21 18.007 1.801 5.686 167 1HZ LYS 21 HZ1 LYS 21 17.206 3.944 5.066 168 2HZ LYS 21 HZ2 LYS 21 18.650 4.178 5.929 169 3HZ LYS 21 HZ3 LYS 21 17.153 4.466 6.679 170 1HN NH2 22 1HN NH2 22 13.347 -0.769 4.423 171 2HN NH2 22 2HN NH2 22 13.915 -2.343 4.713 Start of MODEL 30 1 1H SER 1 1H SER 1 -14.164 -6.907 -6.030 2 2H SER 1 2H SER 1 -12.623 -6.789 -6.736 3 3H SER 1 3H SER 1 -13.801 -5.607 -7.057 4 HA SER 1 HA SER 1 -13.044 -6.031 -4.256 5 1HB SER 1 HB2 SER 1 -11.166 -4.275 -4.956 6 2HB SER 1 HB1 SER 1 -10.870 -6.007 -5.071 7 HG SER 1 HG SER 1 -11.317 -4.112 -7.063 8 H GLY 2 HN GLY 2 -12.813 -3.651 -3.366 9 1HA GLY 2 HA2 GLY 2 -14.142 -1.527 -4.801 10 2HA GLY 2 HA1 GLY 2 -15.238 -2.282 -3.644 11 H SER 3 HN SER 3 -14.268 -2.525 -1.365 12 HA SER 3 HA SER 3 -13.136 0.093 -0.585 13 1HB SER 3 HB2 SER 3 -15.083 -1.438 0.436 14 2HB SER 3 HB1 SER 3 -13.731 -2.116 1.339 15 HG SER 3 HG SER 3 -13.231 0.002 2.022 16 H LEU 4 HN LEU 4 -11.120 -1.045 -1.915 17 HA LEU 4 HA LEU 4 -9.442 -2.572 0.026 18 1HB LEU 4 HB2 LEU 4 -10.000 -2.858 -2.665 19 2HB LEU 4 HB1 LEU 4 -8.434 -2.046 -2.689 20 HG LEU 4 HG LEU 4 -7.764 -3.811 -0.886 21 1HD1 LEU 4 HD11 LEU 4 -8.983 -5.966 -1.202 22 2HD1 LEU 4 HD12 LEU 4 -10.161 -5.121 -2.207 23 3HD1 LEU 4 HD13 LEU 4 -10.003 -4.710 -0.499 24 1HD2 LEU 4 HD21 LEU 4 -6.923 -3.665 -3.252 25 2HD2 LEU 4 HD22 LEU 4 -8.250 -4.720 -3.740 26 3HD2 LEU 4 HD23 LEU 4 -7.008 -5.316 -2.638 27 H SER 5 HN SER 5 -10.015 0.594 -0.733 28 HA SER 5 HA SER 5 -7.663 1.927 -1.297 29 1HB SER 5 HB2 SER 5 -9.686 2.521 0.886 30 2HB SER 5 HB1 SER 5 -8.576 3.701 0.194 31 HG SER 5 HG SER 5 -10.796 3.529 -0.719 32 H THR 6 HN THR 6 -8.621 1.384 2.113 33 HA THR 6 HA THR 6 -6.236 1.950 3.391 34 HB THR 6 HB THR 6 -7.045 -0.007 4.944 35 HG1 THR 6 HG1 THR 6 -8.987 -0.839 4.410 36 1HG2 THR 6 HG21 THR 6 -9.129 1.409 5.508 37 2HG2 THR 6 HG22 THR 6 -8.609 2.459 4.189 38 3HG2 THR 6 HG23 THR 6 -7.559 2.210 5.585 39 H PHE 7 HN PHE 7 -7.129 -1.394 2.434 40 HA PHE 7 HA PHE 7 -4.733 -2.705 2.914 41 1HB PHE 7 HB2 PHE 7 -6.642 -2.951 0.567 42 2HB PHE 7 HB1 PHE 7 -5.461 -4.180 1.019 43 HD1 PHE 7 HD1 PHE 7 -5.622 -5.304 3.256 44 HD2 PHE 7 HD2 PHE 7 -8.689 -2.682 1.780 45 HE1 PHE 7 HE1 PHE 7 -7.207 -6.212 4.935 46 HE2 PHE 7 HE2 PHE 7 -10.272 -3.589 3.460 47 HZ PHE 7 HZ PHE 7 -9.531 -5.355 5.037 48 H PHE 8 HN PHE 8 -5.566 -1.428 -0.335 49 HA PHE 8 HA PHE 8 -3.117 -1.679 -1.606 50 1HB PHE 8 HB2 PHE 8 -5.200 -0.842 -2.619 51 2HB PHE 8 HB1 PHE 8 -5.066 0.649 -1.686 52 HD1 PHE 8 HD1 PHE 8 -2.222 -1.181 -3.209 53 HD2 PHE 8 HD2 PHE 8 -4.842 2.209 -3.500 54 HE1 PHE 8 HE1 PHE 8 -0.768 -0.209 -4.966 55 HE2 PHE 8 HE2 PHE 8 -3.388 3.181 -5.259 56 HZ PHE 8 HZ PHE 8 -1.350 1.972 -5.991 57 H ARG 9 HN ARG 9 -4.134 1.275 0.167 58 HA ARG 9 HA ARG 9 -1.722 2.703 0.053 59 1HB ARG 9 HB2 ARG 9 -4.083 3.229 1.032 60 2HB ARG 9 HB1 ARG 9 -3.434 2.567 2.533 61 1HG ARG 9 HG2 ARG 9 -1.954 4.306 2.825 62 2HG ARG 9 HG1 ARG 9 -1.760 4.570 1.091 63 1HD ARG 9 HD2 ARG 9 -4.490 5.114 1.725 64 2HD ARG 9 HD1 ARG 9 -3.477 5.985 2.894 65 HE ARG 9 HE ARG 9 -2.378 7.112 1.050 66 1HH1 ARG 9 HH21 ARG 9 -5.442 6.982 0.367 67 2HH1 ARG 9 HH22 ARG 9 -5.342 6.683 -1.336 68 1HH2 ARG 9 HH11 ARG 9 -1.982 5.829 -1.257 69 2HH2 ARG 9 HH12 ARG 9 -3.383 6.030 -2.255 70 H LEU 10 HN LEU 10 -2.730 0.347 2.560 71 HA LEU 10 HA LEU 10 -0.416 0.469 4.188 72 1HB LEU 10 HB2 LEU 10 -2.599 -1.466 3.568 73 2HB LEU 10 HB1 LEU 10 -1.201 -2.100 4.438 74 HG LEU 10 HG LEU 10 -1.450 -0.190 6.066 75 1HD1 LEU 10 HD11 LEU 10 -4.181 0.142 4.806 76 2HD1 LEU 10 HD12 LEU 10 -2.817 1.183 4.399 77 3HD1 LEU 10 HD13 LEU 10 -3.434 1.143 6.051 78 1HD2 LEU 10 HD21 LEU 10 -2.324 -2.087 7.029 79 2HD2 LEU 10 HD22 LEU 10 -3.394 -2.411 5.665 80 3HD2 LEU 10 HD23 LEU 10 -3.831 -1.187 6.856 81 H PHE 11 HN PHE 11 -1.115 -1.830 1.519 82 HA PHE 11 HA PHE 11 1.363 -3.197 1.524 83 1HB PHE 11 HB2 PHE 11 -1.008 -3.006 -0.018 84 2HB PHE 11 HB1 PHE 11 0.332 -2.797 -1.145 85 HD1 PHE 11 HD1 PHE 11 1.496 -4.673 -1.932 86 HD2 PHE 11 HD2 PHE 11 -0.787 -4.971 1.695 87 HE1 PHE 11 HE1 PHE 11 1.953 -7.108 -1.844 88 HE2 PHE 11 HE2 PHE 11 -0.330 -7.406 1.783 89 HZ PHE 11 HZ PHE 11 1.040 -8.475 0.014 90 H ASN 12 HN ASN 12 0.402 -0.402 -0.514 91 HA ASN 12 HA ASN 12 2.849 0.022 -1.839 92 1HB ASN 12 HB2 ASN 12 0.396 1.176 -1.762 93 2HB ASN 12 HB1 ASN 12 1.328 2.395 -0.891 94 1HD2 ASN 12 HD21 ASN 12 3.840 2.033 -2.294 95 2HD2 ASN 12 HD22 ASN 12 3.621 2.574 -3.888 96 H ARG 13 HN ARG 13 1.753 1.505 1.239 97 HA ARG 13 HA ARG 13 4.092 2.998 1.809 98 1HB ARG 13 HB2 ARG 13 1.675 2.056 3.113 99 2HB ARG 13 HB1 ARG 13 3.035 2.039 4.237 100 1HG ARG 13 HG2 ARG 13 2.872 4.270 4.451 101 2HG ARG 13 HG1 ARG 13 3.213 4.448 2.730 102 1HD ARG 13 HD2 ARG 13 0.592 3.690 2.632 103 2HD ARG 13 HD1 ARG 13 0.620 4.606 4.152 104 HE ARG 13 HE ARG 13 1.498 6.530 2.914 105 1HH1 ARG 13 HH11 ARG 13 1.552 3.819 0.885 106 2HH1 ARG 13 HH12 ARG 13 1.027 4.667 -0.532 107 1HH2 ARG 13 HH21 ARG 13 0.396 7.630 1.153 108 2HH2 ARG 13 HH22 ARG 13 0.373 6.825 -0.379 109 H SER 14 HN SER 14 3.229 -0.281 2.995 110 HA SER 14 HA SER 14 5.598 -0.865 4.397 111 1HB SER 14 HB2 SER 14 3.826 -2.655 2.701 112 2HB SER 14 HB1 SER 14 4.938 -3.222 3.944 113 HG SER 14 HG SER 14 3.059 -3.008 5.004 114 H PHE 15 HN PHE 15 4.873 -1.623 0.964 115 HA PHE 15 HA PHE 15 7.385 -2.733 0.272 116 1HB PHE 15 HB2 PHE 15 5.054 -2.405 -0.958 117 2HB PHE 15 HB1 PHE 15 5.859 -0.984 -1.626 118 HD1 PHE 15 HD1 PHE 15 8.701 -2.202 -1.521 119 HD2 PHE 15 HD2 PHE 15 4.954 -3.660 -3.033 120 HE1 PHE 15 HE1 PHE 15 9.913 -3.643 -3.134 121 HE2 PHE 15 HE2 PHE 15 6.166 -5.102 -4.646 122 HZ PHE 15 HZ PHE 15 8.646 -5.093 -4.697 123 H THR 16 HN THR 16 6.286 0.638 -0.305 124 HA THR 16 HA THR 16 8.720 1.712 -1.224 125 HB THR 16 HB THR 16 7.735 3.856 -0.391 126 HG1 THR 16 HG1 THR 16 5.903 3.769 0.850 127 1HG2 THR 16 HG21 THR 16 6.470 3.716 -2.240 128 2HG2 THR 16 HG22 THR 16 5.263 2.795 -1.340 129 3HG2 THR 16 HG23 THR 16 6.569 1.955 -2.179 130 H GLN 17 HN GLN 17 7.526 1.564 2.153 131 HA GLN 17 HA GLN 17 9.726 2.795 3.431 132 1HB GLN 17 HB2 GLN 17 7.365 1.392 4.079 133 2HB GLN 17 HB1 GLN 17 8.663 0.552 4.928 134 1HG GLN 17 HG2 GLN 17 8.826 3.498 5.040 135 2HG GLN 17 HG1 GLN 17 7.428 2.807 5.864 136 1HE2 GLN 17 HE21 GLN 17 7.892 1.128 7.559 137 2HE2 GLN 17 HE22 GLN 17 9.390 1.146 8.358 138 H ALA 18 HN ALA 18 9.185 -0.730 3.002 139 HA ALA 18 HA ALA 18 11.743 -1.560 3.945 140 1HB ALA 18 HB1 ALA 18 10.264 -3.312 3.781 141 2HB ALA 18 HB2 ALA 18 11.013 -3.501 2.195 142 3HB ALA 18 HB3 ALA 18 9.480 -2.643 2.350 143 H LEU 19 HN LEU 19 10.666 -1.551 0.522 144 HA LEU 19 HA LEU 19 13.229 -1.853 -0.639 145 1HB LEU 19 HB2 LEU 19 10.523 -1.356 -1.400 146 2HB LEU 19 HB1 LEU 19 11.538 -0.203 -2.267 147 HG LEU 19 HG LEU 19 11.264 -2.348 -3.508 148 1HD1 LEU 19 HD11 LEU 19 13.316 -1.959 -4.350 149 2HD1 LEU 19 HD12 LEU 19 14.082 -2.619 -2.904 150 3HD1 LEU 19 HD13 LEU 19 13.630 -0.915 -2.963 151 1HD2 LEU 19 HD21 LEU 19 13.015 -3.651 -1.440 152 2HD2 LEU 19 HD22 LEU 19 11.952 -4.403 -2.630 153 3HD2 LEU 19 HD23 LEU 19 11.268 -3.624 -1.203 154 H GLY 20 HN GLY 20 11.852 0.887 0.947 155 1HA GLY 20 HA2 GLY 20 13.790 2.739 -0.350 156 2HA GLY 20 HA1 GLY 20 12.421 3.233 0.649 157 H LYS 21 HN LYS 21 13.768 0.637 2.217 158 HA LYS 21 HA LYS 21 15.062 0.496 4.188 159 1HB LYS 21 HB2 LYS 21 16.512 2.411 2.365 160 2HB LYS 21 HB1 LYS 21 17.173 2.015 3.952 161 1HG LYS 21 HG2 LYS 21 17.946 0.051 3.176 162 2HG LYS 21 HG1 LYS 21 16.323 -0.408 2.657 163 1HD LYS 21 HD2 LYS 21 17.516 -0.413 0.638 164 2HD LYS 21 HD1 LYS 21 16.786 1.194 0.643 165 1HE LYS 21 HE2 LYS 21 18.850 2.201 1.437 166 2HE LYS 21 HE1 LYS 21 19.592 0.603 1.650 167 1HZ LYS 21 HZ1 LYS 21 19.247 0.173 -0.710 168 2HZ LYS 21 HZ2 LYS 21 20.214 1.552 -0.486 169 3HZ LYS 21 HZ3 LYS 21 18.578 1.718 -0.913 170 1HN NH2 22 1HN NH2 22 12.897 1.862 4.945 171 2HN NH2 22 2HN NH2 22 13.258 3.302 5.767 Start of MODEL 31 1 1H SER 1 1H SER 1 -1.889 -6.559 -6.958 2 2H SER 1 2H SER 1 -1.994 -7.828 -8.082 3 3H SER 1 3H SER 1 -2.336 -8.111 -6.443 4 HA SER 1 HA SER 1 -3.987 -6.778 -8.482 5 1HB SER 1 HB2 SER 1 -3.896 -9.197 -7.061 6 2HB SER 1 HB1 SER 1 -5.197 -8.282 -6.303 7 HG SER 1 HG SER 1 -4.944 -8.473 -9.110 8 H GLY 2 HN GLY 2 -6.079 -5.868 -7.365 9 1HA GLY 2 HA2 GLY 2 -5.174 -3.924 -5.309 10 2HA GLY 2 HA1 GLY 2 -6.627 -3.767 -6.299 11 H SER 3 HN SER 3 -6.329 -3.671 -3.332 12 HA SER 3 HA SER 3 -8.179 -5.938 -2.658 13 1HB SER 3 HB2 SER 3 -7.034 -5.302 -0.294 14 2HB SER 3 HB1 SER 3 -6.329 -6.474 -1.403 15 HG SER 3 HG SER 3 -4.711 -5.162 -1.592 16 H LEU 4 HN LEU 4 -7.161 -2.675 -1.560 17 HA LEU 4 HA LEU 4 -9.782 -1.537 -1.638 18 1HB LEU 4 HB2 LEU 4 -9.582 -3.470 0.280 19 2HB LEU 4 HB1 LEU 4 -9.126 -2.040 1.207 20 HG LEU 4 HG LEU 4 -11.415 -1.513 -0.515 21 1HD1 LEU 4 HD11 LEU 4 -11.815 -3.937 -0.111 22 2HD1 LEU 4 HD12 LEU 4 -13.028 -2.924 0.670 23 3HD1 LEU 4 HD13 LEU 4 -11.730 -3.640 1.626 24 1HD2 LEU 4 HD21 LEU 4 -12.294 -0.560 1.523 25 2HD2 LEU 4 HD22 LEU 4 -10.570 -0.191 1.476 26 3HD2 LEU 4 HD23 LEU 4 -11.165 -1.492 2.507 27 H SER 5 HN SER 5 -9.796 0.637 -0.688 28 HA SER 5 HA SER 5 -7.558 2.220 -1.013 29 1HB SER 5 HB2 SER 5 -9.956 2.863 -0.481 30 2HB SER 5 HB1 SER 5 -9.593 2.547 1.212 31 HG SER 5 HG SER 5 -7.669 4.038 0.573 32 H THR 6 HN THR 6 -8.626 1.194 2.256 33 HA THR 6 HA THR 6 -6.280 1.900 3.649 34 HB THR 6 HB THR 6 -7.639 -0.589 4.488 35 HG1 THR 6 HG1 THR 6 -9.087 1.825 4.152 36 1HG2 THR 6 HG21 THR 6 -7.295 2.169 5.696 37 2HG2 THR 6 HG22 THR 6 -6.300 0.752 6.030 38 3HG2 THR 6 HG23 THR 6 -7.989 0.781 6.533 39 H PHE 7 HN PHE 7 -7.136 -1.377 2.453 40 HA PHE 7 HA PHE 7 -4.680 -2.647 3.050 41 1HB PHE 7 HB2 PHE 7 -6.971 -3.014 1.176 42 2HB PHE 7 HB1 PHE 7 -5.521 -3.967 0.854 43 HD1 PHE 7 HD1 PHE 7 -8.570 -4.154 2.419 44 HD2 PHE 7 HD2 PHE 7 -4.410 -4.811 3.264 45 HE1 PHE 7 HE1 PHE 7 -9.188 -5.714 4.245 46 HE2 PHE 7 HE2 PHE 7 -5.028 -6.371 5.090 47 HZ PHE 7 HZ PHE 7 -7.417 -6.823 5.580 48 H PHE 8 HN PHE 8 -5.691 -1.393 -0.161 49 HA PHE 8 HA PHE 8 -3.324 -1.699 -1.582 50 1HB PHE 8 HB2 PHE 8 -5.651 -0.695 -2.182 51 2HB PHE 8 HB1 PHE 8 -4.945 0.845 -1.692 52 HD1 PHE 8 HD1 PHE 8 -2.556 1.363 -2.709 53 HD2 PHE 8 HD2 PHE 8 -5.382 -1.401 -4.391 54 HE1 PHE 8 HE1 PHE 8 -1.427 1.549 -4.909 55 HE2 PHE 8 HE2 PHE 8 -4.253 -1.216 -6.592 56 HZ PHE 8 HZ PHE 8 -2.276 0.259 -6.851 57 H ARG 9 HN ARG 9 -4.194 1.313 0.173 58 HA ARG 9 HA ARG 9 -1.733 2.650 -0.065 59 1HB ARG 9 HB2 ARG 9 -4.082 3.250 0.975 60 2HB ARG 9 HB1 ARG 9 -3.333 2.715 2.479 61 1HG ARG 9 HG2 ARG 9 -1.429 4.366 1.190 62 2HG ARG 9 HG1 ARG 9 -2.976 5.209 1.082 63 1HD ARG 9 HD2 ARG 9 -2.578 4.005 3.720 64 2HD ARG 9 HD1 ARG 9 -1.315 5.187 3.316 65 HE ARG 9 HE ARG 9 -4.197 5.870 2.910 66 1HH1 ARG 9 HH21 ARG 9 -1.082 7.062 3.113 67 2HH1 ARG 9 HH22 ARG 9 -1.453 8.362 4.196 68 1HH2 ARG 9 HH11 ARG 9 -4.692 7.283 4.804 69 2HH2 ARG 9 HH12 ARG 9 -3.497 8.487 5.152 70 H LEU 10 HN LEU 10 -2.758 0.328 2.453 71 HA LEU 10 HA LEU 10 -0.463 0.454 4.111 72 1HB LEU 10 HB2 LEU 10 -2.769 -0.768 4.296 73 2HB LEU 10 HB1 LEU 10 -1.940 -2.097 3.486 74 HG LEU 10 HG LEU 10 -1.109 -0.780 6.088 75 1HD1 LEU 10 HD11 LEU 10 -2.222 -3.509 5.384 76 2HD1 LEU 10 HD12 LEU 10 -2.957 -2.293 6.428 77 3HD1 LEU 10 HD13 LEU 10 -1.494 -3.130 6.944 78 1HD2 LEU 10 HD21 LEU 10 0.188 -2.952 4.415 79 2HD2 LEU 10 HD22 LEU 10 0.632 -2.606 6.086 80 3HD2 LEU 10 HD23 LEU 10 0.877 -1.385 4.838 81 H PHE 11 HN PHE 11 -1.135 -1.862 1.450 82 HA PHE 11 HA PHE 11 1.385 -3.174 1.478 83 1HB PHE 11 HB2 PHE 11 -1.018 -3.081 -0.049 84 2HB PHE 11 HB1 PHE 11 0.323 -2.935 -1.185 85 HD1 PHE 11 HD1 PHE 11 -0.458 -4.861 1.948 86 HD2 PHE 11 HD2 PHE 11 1.158 -4.930 -2.031 87 HE1 PHE 11 HE1 PHE 11 0.006 -7.285 2.179 88 HE2 PHE 11 HE2 PHE 11 1.621 -7.356 -1.800 89 HZ PHE 11 HZ PHE 11 1.045 -8.533 0.305 90 H ASN 12 HN ASN 12 0.296 -0.351 -0.439 91 HA ASN 12 HA ASN 12 2.667 0.069 -1.936 92 1HB ASN 12 HB2 ASN 12 0.309 1.151 -2.014 93 2HB ASN 12 HB1 ASN 12 0.935 2.267 -0.799 94 1HD2 ASN 12 HD21 ASN 12 0.493 3.830 -2.752 95 2HD2 ASN 12 HD22 ASN 12 1.779 4.053 -3.837 96 H ARG 13 HN ARG 13 1.699 1.767 1.078 97 HA ARG 13 HA ARG 13 4.126 3.135 1.540 98 1HB ARG 13 HB2 ARG 13 1.731 2.270 3.026 99 2HB ARG 13 HB1 ARG 13 3.147 2.527 4.045 100 1HG ARG 13 HG2 ARG 13 2.785 4.618 2.016 101 2HG ARG 13 HG1 ARG 13 1.448 4.517 3.164 102 1HD ARG 13 HD2 ARG 13 3.692 4.262 4.792 103 2HD ARG 13 HD1 ARG 13 4.177 5.485 3.599 104 HE ARG 13 HE ARG 13 2.658 6.925 4.679 105 1HH1 ARG 13 HH21 ARG 13 2.003 3.717 5.614 106 2HH1 ARG 13 HH22 ARG 13 0.390 4.042 6.156 107 1HH2 ARG 13 HH11 ARG 13 0.401 7.332 5.059 108 2HH2 ARG 13 HH12 ARG 13 -0.517 6.088 5.842 109 H SER 14 HN SER 14 3.107 -0.024 2.908 110 HA SER 14 HA SER 14 5.439 -0.668 4.335 111 1HB SER 14 HB2 SER 14 3.108 -1.982 3.196 112 2HB SER 14 HB1 SER 14 4.515 -3.039 3.139 113 HG SER 14 HG SER 14 4.795 -2.261 5.428 114 H PHE 15 HN PHE 15 4.724 -1.304 0.885 115 HA PHE 15 HA PHE 15 7.177 -2.639 0.266 116 1HB PHE 15 HB2 PHE 15 4.902 -1.347 -1.106 117 2HB PHE 15 HB1 PHE 15 6.392 -1.389 -2.050 118 HD1 PHE 15 HD1 PHE 15 6.809 -3.287 -3.330 119 HD2 PHE 15 HD2 PHE 15 4.387 -3.632 0.200 120 HE1 PHE 15 HE1 PHE 15 6.429 -5.687 -3.825 121 HE2 PHE 15 HE2 PHE 15 4.008 -6.033 -0.294 122 HZ PHE 15 HZ PHE 15 5.029 -7.060 -2.307 123 H THR 16 HN THR 16 6.237 0.787 -0.251 124 HA THR 16 HA THR 16 8.720 1.719 -1.246 125 HB THR 16 HB THR 16 7.699 3.849 0.118 126 HG1 THR 16 HG1 THR 16 5.392 3.472 0.036 127 1HG2 THR 16 HG21 THR 16 6.090 3.971 -1.963 128 2HG2 THR 16 HG22 THR 16 6.982 2.542 -2.485 129 3HG2 THR 16 HG23 THR 16 7.836 4.058 -2.196 130 H GLN 17 HN GLN 17 7.520 1.730 2.134 131 HA GLN 17 HA GLN 17 9.864 2.819 3.334 132 1HB GLN 17 HB2 GLN 17 7.377 2.148 4.130 133 2HB GLN 17 HB1 GLN 17 8.255 0.757 4.766 134 1HG GLN 17 HG2 GLN 17 9.357 3.505 5.240 135 2HG GLN 17 HG1 GLN 17 8.006 2.944 6.226 136 1HE2 GLN 17 HE21 GLN 17 8.708 1.966 8.121 137 2HE2 GLN 17 HE22 GLN 17 10.138 1.068 8.288 138 H ALA 18 HN ALA 18 8.928 -0.569 2.699 139 HA ALA 18 HA ALA 18 11.161 -1.816 3.974 140 1HB ALA 18 HB1 ALA 18 9.069 -2.926 3.248 141 2HB ALA 18 HB2 ALA 18 10.481 -3.733 2.565 142 3HB ALA 18 HB3 ALA 18 9.513 -2.652 1.564 143 H LEU 19 HN LEU 19 10.677 -0.785 0.581 144 HA LEU 19 HA LEU 19 13.078 -1.712 -0.551 145 1HB LEU 19 HB2 LEU 19 11.397 0.770 -0.978 146 2HB LEU 19 HB1 LEU 19 12.736 0.346 -2.045 147 HG LEU 19 HG LEU 19 10.312 -1.376 -1.453 148 1HD1 LEU 19 HD11 LEU 19 9.730 0.405 -2.966 149 2HD1 LEU 19 HD12 LEU 19 9.958 -1.047 -3.942 150 3HD1 LEU 19 HD13 LEU 19 11.219 0.185 -3.886 151 1HD2 LEU 19 HD21 LEU 19 11.415 -2.690 -3.432 152 2HD2 LEU 19 HD22 LEU 19 12.049 -2.919 -1.803 153 3HD2 LEU 19 HD23 LEU 19 12.888 -1.859 -2.935 154 H GLY 20 HN GLY 20 12.524 1.545 0.859 155 1HA GLY 20 HA2 GLY 20 14.329 2.257 2.522 156 2HA GLY 20 HA1 GLY 20 15.481 1.718 1.297 157 H LYS 21 HN LYS 21 12.927 2.987 -0.395 158 HA LYS 21 HA LYS 21 14.419 5.461 -0.968 159 1HB LYS 21 HB2 LYS 21 12.790 3.668 -2.347 160 2HB LYS 21 HB1 LYS 21 11.783 5.108 -2.190 161 1HG LYS 21 HG2 LYS 21 13.014 6.226 -3.710 162 2HG LYS 21 HG1 LYS 21 14.515 5.816 -2.879 163 1HD LYS 21 HD2 LYS 21 14.366 3.522 -3.935 164 2HD LYS 21 HD1 LYS 21 13.028 4.131 -4.909 165 1HE LYS 21 HE2 LYS 21 14.476 5.864 -5.875 166 2HE LYS 21 HE1 LYS 21 15.826 5.320 -4.858 167 1HZ LYS 21 HZ1 LYS 21 16.020 3.361 -5.985 168 2HZ LYS 21 HZ2 LYS 21 15.483 4.348 -7.258 169 3HZ LYS 21 HZ3 LYS 21 14.390 3.326 -6.455 170 1HN NH2 22 1HN NH2 22 13.231 7.615 -0.922 171 2HN NH2 22 2HN NH2 22 12.060 7.886 0.277 Start of MODEL 32 1 1H SER 1 1H SER 1 -15.158 -4.070 -1.390 2 2H SER 1 2H SER 1 -13.730 -3.157 -1.270 3 3H SER 1 3H SER 1 -13.884 -4.615 -0.412 4 HA SER 1 HA SER 1 -13.493 -5.915 -2.237 5 1HB SER 1 HB2 SER 1 -14.126 -5.026 -4.514 6 2HB SER 1 HB1 SER 1 -15.472 -5.097 -3.379 7 HG SER 1 HG SER 1 -15.353 -2.927 -3.103 8 H GLY 2 HN GLY 2 -12.933 -2.927 -4.003 9 1HA GLY 2 HA2 GLY 2 -9.999 -3.272 -3.514 10 2HA GLY 2 HA1 GLY 2 -10.660 -2.783 -5.076 11 H SER 3 HN SER 3 -10.651 -0.625 -5.457 12 HA SER 3 HA SER 3 -10.577 1.703 -5.050 13 1HB SER 3 HB2 SER 3 -11.742 1.196 -2.340 14 2HB SER 3 HB1 SER 3 -12.207 2.390 -3.548 15 HG SER 3 HG SER 3 -12.756 0.308 -4.787 16 H LEU 4 HN LEU 4 -8.280 0.056 -4.256 17 HA LEU 4 HA LEU 4 -6.241 0.396 -3.107 18 1HB LEU 4 HB2 LEU 4 -7.628 2.916 -3.320 19 2HB LEU 4 HB1 LEU 4 -6.766 2.852 -1.782 20 HG LEU 4 HG LEU 4 -5.165 1.779 -3.972 21 1HD1 LEU 4 HD11 LEU 4 -6.759 3.945 -4.713 22 2HD1 LEU 4 HD12 LEU 4 -5.268 3.436 -5.506 23 3HD1 LEU 4 HD13 LEU 4 -5.223 4.684 -4.261 24 1HD2 LEU 4 HD21 LEU 4 -4.669 4.185 -2.201 25 2HD2 LEU 4 HD22 LEU 4 -3.471 3.132 -2.953 26 3HD2 LEU 4 HD23 LEU 4 -4.467 2.529 -1.630 27 H SER 5 HN SER 5 -8.555 2.050 -0.942 28 HA SER 5 HA SER 5 -9.075 1.645 1.329 29 1HB SER 5 HB2 SER 5 -9.709 -0.505 -0.126 30 2HB SER 5 HB1 SER 5 -8.454 -1.244 0.863 31 HG SER 5 HG SER 5 -9.873 -1.307 2.398 32 H THR 6 HN THR 6 -8.107 0.803 3.407 33 HA THR 6 HA THR 6 -5.419 1.498 3.778 34 HB THR 6 HB THR 6 -6.961 -0.641 5.279 35 HG1 THR 6 HG1 THR 6 -8.331 1.012 5.283 36 1HG2 THR 6 HG21 THR 6 -4.727 1.265 5.986 37 2HG2 THR 6 HG22 THR 6 -4.739 -0.494 6.114 38 3HG2 THR 6 HG23 THR 6 -5.715 0.477 7.216 39 H PHE 7 HN PHE 7 -6.792 -1.619 2.805 40 HA PHE 7 HA PHE 7 -4.532 -3.291 3.146 41 1HB PHE 7 HB2 PHE 7 -6.933 -3.169 1.355 42 2HB PHE 7 HB1 PHE 7 -5.688 -4.367 1.001 43 HD1 PHE 7 HD1 PHE 7 -7.476 -2.991 4.008 44 HD2 PHE 7 HD2 PHE 7 -5.948 -6.457 1.983 45 HE1 PHE 7 HE1 PHE 7 -8.347 -4.437 5.825 46 HE2 PHE 7 HE2 PHE 7 -6.821 -7.904 3.799 47 HZ PHE 7 HZ PHE 7 -8.021 -6.893 5.720 48 H PHE 8 HN PHE 8 -5.550 -1.695 0.090 49 HA PHE 8 HA PHE 8 -3.092 -2.221 -1.293 50 1HB PHE 8 HB2 PHE 8 -5.452 -1.543 -2.122 51 2HB PHE 8 HB1 PHE 8 -4.948 0.113 -1.782 52 HD1 PHE 8 HD1 PHE 8 -2.801 0.979 -2.867 53 HD2 PHE 8 HD2 PHE 8 -4.752 -2.646 -4.096 54 HE1 PHE 8 HE1 PHE 8 -1.572 1.047 -5.019 55 HE2 PHE 8 HE2 PHE 8 -3.523 -2.577 -6.249 56 HZ PHE 8 HZ PHE 8 -1.934 -0.731 -6.711 57 H ARG 9 HN ARG 9 -4.282 0.718 0.379 58 HA ARG 9 HA ARG 9 -1.997 2.355 -0.089 59 1HB ARG 9 HB2 ARG 9 -4.430 2.313 1.479 60 2HB ARG 9 HB1 ARG 9 -3.105 2.973 2.439 61 1HG ARG 9 HG2 ARG 9 -2.583 4.579 0.661 62 2HG ARG 9 HG1 ARG 9 -3.858 3.897 -0.350 63 1HD ARG 9 HD2 ARG 9 -5.429 4.434 1.671 64 2HD ARG 9 HD1 ARG 9 -4.126 5.532 2.169 65 HE ARG 9 HE ARG 9 -4.650 5.868 -0.634 66 1HH1 ARG 9 HH11 ARG 9 -7.098 5.833 1.546 67 2HH1 ARG 9 HH12 ARG 9 -7.468 7.524 1.480 68 1HH2 ARG 9 HH21 ARG 9 -4.622 8.349 -0.321 69 2HH2 ARG 9 HH22 ARG 9 -6.066 8.948 0.423 70 H LEU 10 HN LEU 10 -2.742 0.079 2.558 71 HA LEU 10 HA LEU 10 -0.399 0.634 4.132 72 1HB LEU 10 HB2 LEU 10 -2.410 -0.481 4.981 73 2HB LEU 10 HB1 LEU 10 -2.171 -1.817 3.854 74 HG LEU 10 HG LEU 10 0.236 -1.856 5.044 75 1HD1 LEU 10 HD11 LEU 10 -1.037 0.071 6.545 76 2HD1 LEU 10 HD12 LEU 10 0.333 -0.892 7.098 77 3HD1 LEU 10 HD13 LEU 10 -1.312 -1.383 7.502 78 1HD2 LEU 10 HD21 LEU 10 -0.891 -3.874 5.101 79 2HD2 LEU 10 HD22 LEU 10 -2.385 -3.142 5.688 80 3HD2 LEU 10 HD23 LEU 10 -1.043 -3.419 6.798 81 H PHE 11 HN PHE 11 -1.109 -1.995 1.797 82 HA PHE 11 HA PHE 11 1.433 -3.271 1.907 83 1HB PHE 11 HB2 PHE 11 -0.928 -3.122 0.117 84 2HB PHE 11 HB1 PHE 11 0.558 -3.702 -0.637 85 HD1 PHE 11 HD1 PHE 11 -2.305 -4.849 0.844 86 HD2 PHE 11 HD2 PHE 11 1.953 -5.280 1.204 87 HE1 PHE 11 HE1 PHE 11 -2.620 -7.061 1.919 88 HE2 PHE 11 HE2 PHE 11 1.639 -7.492 2.280 89 HZ PHE 11 HZ PHE 11 -0.648 -8.383 2.637 90 H ASN 12 HN ASN 12 0.255 -0.603 -0.150 91 HA ASN 12 HA ASN 12 2.634 -0.379 -1.760 92 1HB ASN 12 HB2 ASN 12 0.121 1.065 -1.220 93 2HB ASN 12 HB1 ASN 12 1.450 2.107 -1.729 94 1HD2 ASN 12 HD21 ASN 12 2.361 1.759 -3.883 95 2HD2 ASN 12 HD22 ASN 12 1.550 0.823 -5.043 96 H ARG 13 HN ARG 13 1.488 1.551 1.039 97 HA ARG 13 HA ARG 13 3.771 3.227 1.282 98 1HB ARG 13 HB2 ARG 13 1.785 2.128 3.294 99 2HB ARG 13 HB1 ARG 13 2.915 3.434 3.653 100 1HG ARG 13 HG2 ARG 13 1.065 3.580 1.275 101 2HG ARG 13 HG1 ARG 13 0.538 4.096 2.876 102 1HD ARG 13 HD2 ARG 13 3.155 5.125 1.807 103 2HD ARG 13 HD1 ARG 13 1.637 5.866 1.263 104 HE ARG 13 HE ARG 13 1.295 5.700 3.991 105 1HH1 ARG 13 HH11 ARG 13 3.144 7.445 1.726 106 2HH1 ARG 13 HH12 ARG 13 3.921 8.449 2.903 107 1HH2 ARG 13 HH21 ARG 13 2.565 6.773 5.619 108 2HH2 ARG 13 HH22 ARG 13 3.594 8.069 5.107 109 H SER 14 HN SER 14 3.023 0.177 3.017 110 HA SER 14 HA SER 14 5.485 0.006 4.454 111 1HB SER 14 HB2 SER 14 3.090 -1.402 4.177 112 2HB SER 14 HB1 SER 14 4.316 -2.547 3.640 113 HG SER 14 HG SER 14 3.963 -2.589 5.921 114 H PHE 15 HN PHE 15 4.507 -1.456 1.333 115 HA PHE 15 HA PHE 15 6.938 -2.837 0.793 116 1HB PHE 15 HB2 PHE 15 4.864 -3.225 -0.416 117 2HB PHE 15 HB1 PHE 15 4.848 -1.559 -0.996 118 HD1 PHE 15 HD1 PHE 15 6.299 -4.890 -1.417 119 HD2 PHE 15 HD2 PHE 15 6.516 -0.783 -2.658 120 HE1 PHE 15 HE1 PHE 15 7.678 -5.553 -3.369 121 HE2 PHE 15 HE2 PHE 15 7.895 -1.445 -4.609 122 HZ PHE 15 HZ PHE 15 8.476 -3.830 -4.965 123 H THR 16 HN THR 16 5.880 0.414 -0.291 124 HA THR 16 HA THR 16 8.260 1.117 -1.685 125 HB THR 16 HB THR 16 6.195 2.750 -0.175 126 HG1 THR 16 HG1 THR 16 5.334 2.974 -2.260 127 1HG2 THR 16 HG21 THR 16 7.114 4.397 -2.122 128 2HG2 THR 16 HG22 THR 16 8.596 3.521 -1.733 129 3HG2 THR 16 HG23 THR 16 7.738 4.407 -0.472 130 H GLN 17 HN GLN 17 7.289 1.939 1.673 131 HA GLN 17 HA GLN 17 9.731 3.225 2.404 132 1HB GLN 17 HB2 GLN 17 7.559 3.364 3.598 133 2HB GLN 17 HB1 GLN 17 7.726 1.674 4.076 134 1HG GLN 17 HG2 GLN 17 10.109 3.238 4.714 135 2HG GLN 17 HG1 GLN 17 8.664 3.870 5.506 136 1HE2 GLN 17 HE21 GLN 17 10.730 2.593 7.021 137 2HE2 GLN 17 HE22 GLN 17 10.121 1.132 7.635 138 H ALA 18 HN ALA 18 8.661 -0.166 2.792 139 HA ALA 18 HA ALA 18 10.917 -1.148 4.208 140 1HB ALA 18 HB1 ALA 18 10.153 -3.294 2.837 141 2HB ALA 18 HB2 ALA 18 8.816 -2.241 2.369 142 3HB ALA 18 HB3 ALA 18 9.103 -2.600 4.072 143 H LEU 19 HN LEU 19 10.310 -1.174 0.670 144 HA LEU 19 HA LEU 19 12.763 -2.299 -0.159 145 1HB LEU 19 HB2 LEU 19 10.481 -1.296 -1.302 146 2HB LEU 19 HB1 LEU 19 11.673 -0.095 -1.798 147 HG LEU 19 HG LEU 19 12.356 -3.001 -2.061 148 1HD1 LEU 19 HD11 LEU 19 10.307 -1.493 -3.622 149 2HD1 LEU 19 HD12 LEU 19 10.402 -3.217 -3.264 150 3HD1 LEU 19 HD13 LEU 19 11.418 -2.522 -4.527 151 1HD2 LEU 19 HD21 LEU 19 13.149 -1.519 -4.297 152 2HD2 LEU 19 HD22 LEU 19 14.169 -1.965 -2.929 153 3HD2 LEU 19 HD23 LEU 19 13.349 -0.404 -2.944 154 H GLY 20 HN GLY 20 11.945 1.177 0.195 155 1HA GLY 20 HA2 GLY 20 13.416 2.883 1.004 156 2HA GLY 20 HA1 GLY 20 14.755 1.735 0.915 157 H LYS 21 HN LYS 21 13.125 1.405 -1.954 158 HA LYS 21 HA LYS 21 13.652 2.097 -4.150 159 1HB LYS 21 HB2 LYS 21 13.040 4.301 -2.497 160 2HB LYS 21 HB1 LYS 21 14.441 4.797 -3.446 161 1HG LYS 21 HG2 LYS 21 12.905 5.284 -5.051 162 2HG LYS 21 HG1 LYS 21 12.923 3.546 -5.349 163 1HD LYS 21 HD2 LYS 21 10.738 3.493 -4.815 164 2HD LYS 21 HD1 LYS 21 11.184 3.921 -3.163 165 1HE LYS 21 HE2 LYS 21 11.313 6.330 -4.654 166 2HE LYS 21 HE1 LYS 21 9.791 5.535 -5.104 167 1HZ LYS 21 HZ1 LYS 21 9.595 6.862 -3.047 168 2HZ LYS 21 HZ2 LYS 21 10.761 5.866 -2.314 169 3HZ LYS 21 HZ3 LYS 21 9.267 5.216 -2.796 170 1HN NH2 22 1HN NH2 22 15.936 1.304 -2.124 171 2HN NH2 22 2HN NH2 22 17.345 1.847 -2.899 Start of MODEL 33 1 1H SER 1 1H SER 1 -9.774 -10.462 -7.944 2 2H SER 1 2H SER 1 -8.486 -11.523 -7.624 3 3H SER 1 3H SER 1 -8.175 -9.944 -8.165 4 HA SER 1 HA SER 1 -9.594 -10.457 -5.612 5 1HB SER 1 HB2 SER 1 -7.569 -10.831 -4.561 6 2HB SER 1 HB1 SER 1 -7.176 -11.505 -6.141 7 HG SER 1 HG SER 1 -5.682 -10.036 -6.195 8 H GLY 2 HN GLY 2 -10.535 -8.488 -5.217 9 1HA GLY 2 HA2 GLY 2 -9.405 -6.035 -6.384 10 2HA GLY 2 HA1 GLY 2 -10.900 -6.147 -5.455 11 H SER 3 HN SER 3 -9.310 -4.073 -4.793 12 HA SER 3 HA SER 3 -8.154 -4.926 -2.165 13 1HB SER 3 HB2 SER 3 -6.875 -2.669 -3.599 14 2HB SER 3 HB1 SER 3 -6.134 -3.978 -2.682 15 HG SER 3 HG SER 3 -7.217 -4.086 -5.307 16 H LEU 4 HN LEU 4 -7.440 -2.366 -1.287 17 HA LEU 4 HA LEU 4 -9.720 -0.537 -1.650 18 1HB LEU 4 HB2 LEU 4 -9.983 -2.601 0.135 19 2HB LEU 4 HB1 LEU 4 -9.326 -1.332 1.170 20 HG LEU 4 HG LEU 4 -11.450 -0.432 -0.670 21 1HD1 LEU 4 HD11 LEU 4 -13.224 -1.389 0.877 22 2HD1 LEU 4 HD12 LEU 4 -11.975 -2.454 1.521 23 3HD1 LEU 4 HD13 LEU 4 -12.438 -2.566 -0.176 24 1HD2 LEU 4 HD21 LEU 4 -10.465 0.023 2.100 25 2HD2 LEU 4 HD22 LEU 4 -12.184 0.308 1.825 26 3HD2 LEU 4 HD23 LEU 4 -10.982 1.192 0.885 27 H SER 5 HN SER 5 -9.374 1.486 -0.371 28 HA SER 5 HA SER 5 -6.888 2.667 -0.585 29 1HB SER 5 HB2 SER 5 -9.016 3.770 0.051 30 2HB SER 5 HB1 SER 5 -8.919 3.025 1.645 31 HG SER 5 HG SER 5 -7.061 4.834 0.479 32 H THR 6 HN THR 6 -8.041 1.644 2.643 33 HA THR 6 HA THR 6 -5.619 1.667 4.009 34 HB THR 6 HB THR 6 -7.371 -0.658 4.546 35 HG1 THR 6 HG1 THR 6 -9.102 0.411 4.047 36 1HG2 THR 6 HG21 THR 6 -6.570 -0.177 6.587 37 2HG2 THR 6 HG22 THR 6 -7.445 1.354 6.554 38 3HG2 THR 6 HG23 THR 6 -5.789 1.272 5.953 39 H PHE 7 HN PHE 7 -7.019 -1.320 2.589 40 HA PHE 7 HA PHE 7 -4.762 -2.978 2.873 41 1HB PHE 7 HB2 PHE 7 -7.249 -3.298 2.000 42 2HB PHE 7 HB1 PHE 7 -6.485 -3.114 0.422 43 HD1 PHE 7 HD1 PHE 7 -6.213 -5.210 -0.567 44 HD2 PHE 7 HD2 PHE 7 -5.367 -4.735 3.617 45 HE1 PHE 7 HE1 PHE 7 -5.422 -7.558 -0.460 46 HE2 PHE 7 HE2 PHE 7 -4.576 -7.082 3.724 47 HZ PHE 7 HZ PHE 7 -4.603 -8.494 1.685 48 H PHE 8 HN PHE 8 -5.722 -1.533 -0.262 49 HA PHE 8 HA PHE 8 -3.347 -1.940 -1.668 50 1HB PHE 8 HB2 PHE 8 -5.451 -1.068 -2.600 51 2HB PHE 8 HB1 PHE 8 -5.235 0.439 -1.711 52 HD1 PHE 8 HD1 PHE 8 -4.458 -1.364 -4.723 53 HD2 PHE 8 HD2 PHE 8 -3.118 1.820 -2.171 54 HE1 PHE 8 HE1 PHE 8 -3.069 -0.467 -6.571 55 HE2 PHE 8 HE2 PHE 8 -1.728 2.717 -4.019 56 HZ PHE 8 HZ PHE 8 -1.703 1.572 -6.219 57 H ARG 9 HN ARG 9 -4.184 1.120 0.017 58 HA ARG 9 HA ARG 9 -1.706 2.421 -0.237 59 1HB ARG 9 HB2 ARG 9 -4.038 3.089 0.772 60 2HB ARG 9 HB1 ARG 9 -3.334 2.540 2.293 61 1HG ARG 9 HG2 ARG 9 -1.345 4.121 1.088 62 2HG ARG 9 HG1 ARG 9 -2.853 5.007 0.849 63 1HD ARG 9 HD2 ARG 9 -3.338 4.936 3.236 64 2HD ARG 9 HD1 ARG 9 -1.923 3.903 3.526 65 HE ARG 9 HE ARG 9 -0.543 5.830 2.600 66 1HH1 ARG 9 HH11 ARG 9 -2.518 6.200 5.152 67 2HH1 ARG 9 HH12 ARG 9 -2.794 7.902 4.984 68 1HH2 ARG 9 HH21 ARG 9 -1.406 8.082 1.811 69 2HH2 ARG 9 HH22 ARG 9 -2.165 8.968 3.092 70 H LEU 10 HN LEU 10 -2.784 0.298 2.445 71 HA LEU 10 HA LEU 10 -0.476 0.380 4.049 72 1HB LEU 10 HB2 LEU 10 -2.689 -0.723 4.506 73 2HB LEU 10 HB1 LEU 10 -2.213 -2.027 3.417 74 HG LEU 10 HG LEU 10 -0.074 -1.558 5.267 75 1HD1 LEU 10 HD11 LEU 10 -1.773 -2.545 7.179 76 2HD1 LEU 10 HD12 LEU 10 -2.798 -1.351 6.382 77 3HD1 LEU 10 HD13 LEU 10 -1.256 -0.862 7.083 78 1HD2 LEU 10 HD21 LEU 10 -1.814 -3.731 4.296 79 2HD2 LEU 10 HD22 LEU 10 -1.214 -3.971 5.936 80 3HD2 LEU 10 HD23 LEU 10 -0.077 -3.735 4.608 81 H PHE 11 HN PHE 11 -1.194 -1.975 1.437 82 HA PHE 11 HA PHE 11 1.289 -3.356 1.508 83 1HB PHE 11 HB2 PHE 11 -1.082 -3.499 0.151 84 2HB PHE 11 HB1 PHE 11 0.000 -2.938 -1.124 85 HD1 PHE 11 HD1 PHE 11 0.897 -4.641 -2.422 86 HD2 PHE 11 HD2 PHE 11 0.236 -5.332 1.765 87 HE1 PHE 11 HE1 PHE 11 1.817 -6.933 -2.655 88 HE2 PHE 11 HE2 PHE 11 1.156 -7.623 1.532 89 HZ PHE 11 HZ PHE 11 1.946 -8.424 -0.678 90 H ASN 12 HN ASN 12 0.281 -0.667 -0.646 91 HA ASN 12 HA ASN 12 2.724 -0.318 -2.023 92 1HB ASN 12 HB2 ASN 12 0.580 0.743 -2.598 93 2HB ASN 12 HB1 ASN 12 0.646 1.704 -1.119 94 1HD2 ASN 12 HD21 ASN 12 3.457 0.994 -3.202 95 2HD2 ASN 12 HD22 ASN 12 3.717 2.602 -3.678 96 H ARG 13 HN ARG 13 1.592 1.485 0.870 97 HA ARG 13 HA ARG 13 3.926 2.989 1.356 98 1HB ARG 13 HB2 ARG 13 1.811 3.332 2.510 99 2HB ARG 13 HB1 ARG 13 1.903 1.727 3.234 100 1HG ARG 13 HG2 ARG 13 4.249 3.472 3.708 101 2HG ARG 13 HG1 ARG 13 2.753 3.983 4.489 102 1HD ARG 13 HD2 ARG 13 3.845 1.156 4.684 103 2HD ARG 13 HD1 ARG 13 4.134 2.411 5.905 104 HE ARG 13 HE ARG 13 1.313 2.051 5.153 105 1HH1 ARG 13 HH11 ARG 13 2.761 -0.412 6.462 106 2HH1 ARG 13 HH12 ARG 13 2.249 -0.203 8.103 107 1HH2 ARG 13 HH21 ARG 13 1.138 3.046 7.623 108 2HH2 ARG 13 HH22 ARG 13 1.330 1.754 8.761 109 H SER 14 HN SER 14 3.060 -0.186 2.792 110 HA SER 14 HA SER 14 5.431 -0.639 4.251 111 1HB SER 14 HB2 SER 14 3.219 -2.199 3.062 112 2HB SER 14 HB1 SER 14 4.682 -3.127 3.383 113 HG SER 14 HG SER 14 2.839 -2.259 5.102 114 H PHE 15 HN PHE 15 4.714 -1.399 0.835 115 HA PHE 15 HA PHE 15 7.176 -2.729 0.239 116 1HB PHE 15 HB2 PHE 15 4.806 -1.741 -1.071 117 2HB PHE 15 HB1 PHE 15 6.221 -1.324 -2.038 118 HD1 PHE 15 HD1 PHE 15 3.913 -3.903 -1.203 119 HD2 PHE 15 HD2 PHE 15 7.985 -3.227 -2.391 120 HE1 PHE 15 HE1 PHE 15 4.076 -6.252 -1.982 121 HE2 PHE 15 HE2 PHE 15 8.148 -5.576 -3.169 122 HZ PHE 15 HZ PHE 15 6.193 -7.088 -2.965 123 H THR 16 HN THR 16 6.205 0.658 -0.454 124 HA THR 16 HA THR 16 8.797 1.509 -1.338 125 HB THR 16 HB THR 16 6.946 3.424 -0.008 126 HG1 THR 16 HG1 THR 16 5.305 2.388 -0.828 127 1HG2 THR 16 HG21 THR 16 7.215 4.130 -2.637 128 2HG2 THR 16 HG22 THR 16 8.717 3.247 -2.360 129 3HG2 THR 16 HG23 THR 16 8.313 4.639 -1.354 130 H GLN 17 HN GLN 17 7.213 1.574 1.853 131 HA GLN 17 HA GLN 17 9.224 3.087 3.226 132 1HB GLN 17 HB2 GLN 17 7.036 1.151 3.930 133 2HB GLN 17 HB1 GLN 17 8.144 1.692 5.191 134 1HG GLN 17 HG2 GLN 17 7.000 3.792 3.416 135 2HG GLN 17 HG1 GLN 17 5.905 3.046 4.582 136 1HE2 GLN 17 HE21 GLN 17 5.785 4.643 6.211 137 2HE2 GLN 17 HE22 GLN 17 7.135 5.271 7.022 138 H ALA 18 HN ALA 18 8.735 -0.449 2.922 139 HA ALA 18 HA ALA 18 11.093 -1.164 4.428 140 1HB ALA 18 HB1 ALA 18 10.539 -3.380 3.677 141 2HB ALA 18 HB2 ALA 18 9.678 -2.754 2.272 142 3HB ALA 18 HB3 ALA 18 9.007 -2.533 3.887 143 H LEU 19 HN LEU 19 10.442 -1.275 0.897 144 HA LEU 19 HA LEU 19 13.044 -1.957 0.038 145 1HB LEU 19 HB2 LEU 19 11.215 -2.002 -1.487 146 2HB LEU 19 HB1 LEU 19 10.787 -0.326 -1.139 147 HG LEU 19 HG LEU 19 13.543 -0.636 -2.095 148 1HD1 LEU 19 HD11 LEU 19 11.381 -1.067 -4.148 149 2HD1 LEU 19 HD12 LEU 19 12.125 -2.443 -3.333 150 3HD1 LEU 19 HD13 LEU 19 13.116 -1.347 -4.296 151 1HD2 LEU 19 HD21 LEU 19 11.176 1.134 -2.433 152 2HD2 LEU 19 HD22 LEU 19 12.300 1.071 -3.790 153 3HD2 LEU 19 HD23 LEU 19 12.872 1.557 -2.194 154 H GLY 20 HN GLY 20 11.886 1.012 1.401 155 1HA GLY 20 HA2 GLY 20 14.022 2.668 0.258 156 2HA GLY 20 HA1 GLY 20 12.852 3.180 1.477 157 H LYS 21 HN LYS 21 14.036 0.277 2.559 158 HA LYS 21 HA LYS 21 15.643 1.552 4.630 159 1HB LYS 21 HB2 LYS 21 14.763 -1.214 3.854 160 2HB LYS 21 HB1 LYS 21 16.015 -1.022 5.082 161 1HG LYS 21 HG2 LYS 21 13.290 0.307 5.165 162 2HG LYS 21 HG1 LYS 21 13.738 -1.133 6.078 163 1HD LYS 21 HD2 LYS 21 14.363 0.326 7.700 164 2HD LYS 21 HD1 LYS 21 15.789 0.592 6.696 165 1HE LYS 21 HE2 LYS 21 15.035 2.788 6.916 166 2HE LYS 21 HE1 LYS 21 14.133 2.308 5.465 167 1HZ LYS 21 HZ1 LYS 21 12.526 1.336 7.299 168 2HZ LYS 21 HZ2 LYS 21 12.395 2.943 6.762 169 3HZ LYS 21 HZ3 LYS 21 13.196 2.594 8.220 170 1HN NH2 22 1HN NH2 22 16.358 0.447 1.448 171 2HN NH2 22 2HN NH2 22 18.042 0.307 1.619 Start of MODEL 34 1 1H SER 1 1H SER 1 -13.519 -8.654 -0.451 2 2H SER 1 2H SER 1 -12.249 -9.292 0.480 3 3H SER 1 3H SER 1 -12.184 -9.369 -1.216 4 HA SER 1 HA SER 1 -12.403 -6.749 -0.958 5 1HB SER 1 HB2 SER 1 -12.511 -7.405 1.587 6 2HB SER 1 HB1 SER 1 -10.760 -7.530 1.439 7 HG SER 1 HG SER 1 -12.445 -5.297 1.100 8 H GLY 2 HN GLY 2 -9.696 -6.077 -0.072 9 1HA GLY 2 HA2 GLY 2 -7.403 -6.545 -0.626 10 2HA GLY 2 HA1 GLY 2 -7.949 -7.862 -1.665 11 H SER 3 HN SER 3 -8.398 -4.310 -1.459 12 HA SER 3 HA SER 3 -7.286 -3.858 -4.094 13 1HB SER 3 HB2 SER 3 -9.555 -3.241 -5.095 14 2HB SER 3 HB1 SER 3 -9.282 -4.964 -4.843 15 HG SER 3 HG SER 3 -10.473 -4.816 -2.931 16 H LEU 4 HN LEU 4 -6.552 -1.775 -3.954 17 HA LEU 4 HA LEU 4 -6.304 0.426 -3.100 18 1HB LEU 4 HB2 LEU 4 -9.318 0.323 -3.419 19 2HB LEU 4 HB1 LEU 4 -8.272 1.732 -3.607 20 HG LEU 4 HG LEU 4 -8.148 -0.749 -5.346 21 1HD1 LEU 4 HD11 LEU 4 -8.895 1.300 -6.979 22 2HD1 LEU 4 HD12 LEU 4 -9.725 1.754 -5.490 23 3HD1 LEU 4 HD13 LEU 4 -10.035 0.183 -6.229 24 1HD2 LEU 4 HD21 LEU 4 -6.669 1.881 -5.280 25 2HD2 LEU 4 HD22 LEU 4 -6.811 0.959 -6.777 26 3HD2 LEU 4 HD23 LEU 4 -6.007 0.250 -5.377 27 H SER 5 HN SER 5 -8.550 1.774 -1.643 28 HA SER 5 HA SER 5 -9.147 2.146 0.614 29 1HB SER 5 HB2 SER 5 -9.406 -0.754 0.010 30 2HB SER 5 HB1 SER 5 -9.460 -0.310 1.714 31 HG SER 5 HG SER 5 -11.267 0.145 -0.303 32 H THR 6 HN THR 6 -8.469 1.243 2.978 33 HA THR 6 HA THR 6 -5.821 1.938 3.508 34 HB THR 6 HB THR 6 -6.354 0.135 5.472 35 HG1 THR 6 HG1 THR 6 -8.176 -0.660 4.397 36 1HG2 THR 6 HG21 THR 6 -6.942 2.942 4.945 37 2HG2 THR 6 HG22 THR 6 -6.363 2.178 6.425 38 3HG2 THR 6 HG23 THR 6 -8.091 2.225 6.074 39 H PHE 7 HN PHE 7 -7.081 -1.388 3.040 40 HA PHE 7 HA PHE 7 -4.815 -2.930 3.376 41 1HB PHE 7 HB2 PHE 7 -7.216 -2.960 1.640 42 2HB PHE 7 HB1 PHE 7 -5.903 -4.015 1.116 43 HD1 PHE 7 HD1 PHE 7 -6.565 -3.066 4.635 44 HD2 PHE 7 HD2 PHE 7 -6.928 -6.131 1.647 45 HE1 PHE 7 HE1 PHE 7 -7.180 -4.705 6.391 46 HE2 PHE 7 HE2 PHE 7 -7.542 -7.770 3.404 47 HZ PHE 7 HZ PHE 7 -7.668 -7.058 5.775 48 H PHE 8 HN PHE 8 -5.722 -1.637 0.153 49 HA PHE 8 HA PHE 8 -3.231 -2.153 -1.108 50 1HB PHE 8 HB2 PHE 8 -5.446 -1.553 -2.147 51 2HB PHE 8 HB1 PHE 8 -5.183 0.113 -1.630 52 HD1 PHE 8 HD1 PHE 8 -3.046 -2.554 -3.195 53 HD2 PHE 8 HD2 PHE 8 -4.480 1.491 -3.365 54 HE1 PHE 8 HE1 PHE 8 -1.658 -2.147 -5.210 55 HE2 PHE 8 HE2 PHE 8 -3.092 1.900 -5.378 56 HZ PHE 8 HZ PHE 8 -1.681 0.080 -6.301 57 H ARG 9 HN ARG 9 -4.408 0.823 0.501 58 HA ARG 9 HA ARG 9 -2.140 2.463 0.032 59 1HB ARG 9 HB2 ARG 9 -4.570 2.498 1.466 60 2HB ARG 9 HB1 ARG 9 -3.315 2.848 2.655 61 1HG ARG 9 HG2 ARG 9 -3.625 4.271 -0.006 62 2HG ARG 9 HG1 ARG 9 -4.152 4.914 1.550 63 1HD ARG 9 HD2 ARG 9 -1.308 3.990 1.300 64 2HD ARG 9 HD1 ARG 9 -1.759 5.556 0.595 65 HE ARG 9 HE ARG 9 -2.561 6.252 2.821 66 1HH1 ARG 9 HH11 ARG 9 0.032 4.133 2.600 67 2HH1 ARG 9 HH12 ARG 9 0.057 3.710 4.280 68 1HH2 ARG 9 HH21 ARG 9 -2.910 5.347 5.010 69 2HH2 ARG 9 HH22 ARG 9 -1.608 4.398 5.645 70 H LEU 10 HN LEU 10 -2.853 0.348 2.839 71 HA LEU 10 HA LEU 10 -0.432 0.817 4.266 72 1HB LEU 10 HB2 LEU 10 -2.767 -0.732 4.459 73 2HB LEU 10 HB1 LEU 10 -1.448 -1.902 4.477 74 HG LEU 10 HG LEU 10 -1.813 -1.248 6.758 75 1HD1 LEU 10 HD11 LEU 10 0.394 -1.008 7.160 76 2HD1 LEU 10 HD12 LEU 10 0.413 0.600 6.436 77 3HD1 LEU 10 HD13 LEU 10 0.609 -0.828 5.419 78 1HD2 LEU 10 HD21 LEU 10 -2.840 0.735 7.105 79 2HD2 LEU 10 HD22 LEU 10 -2.378 1.319 5.507 80 3HD2 LEU 10 HD23 LEU 10 -1.270 1.502 6.866 81 H PHE 11 HN PHE 11 -1.257 -1.845 2.005 82 HA PHE 11 HA PHE 11 1.224 -3.189 2.013 83 1HB PHE 11 HB2 PHE 11 -1.219 -3.099 0.519 84 2HB PHE 11 HB1 PHE 11 0.121 -3.157 -0.626 85 HD1 PHE 11 HD1 PHE 11 2.142 -4.673 0.930 86 HD2 PHE 11 HD2 PHE 11 -2.085 -5.300 0.500 87 HE1 PHE 11 HE1 PHE 11 2.451 -7.086 1.412 88 HE2 PHE 11 HE2 PHE 11 -1.776 -7.714 0.982 89 HZ PHE 11 HZ PHE 11 0.492 -8.606 1.438 90 H ASN 12 HN ASN 12 0.151 -0.500 -0.094 91 HA ASN 12 HA ASN 12 2.540 -0.268 -1.634 92 1HB ASN 12 HB2 ASN 12 0.178 1.403 -0.901 93 2HB ASN 12 HB1 ASN 12 1.557 2.239 -1.617 94 1HD2 ASN 12 HD21 ASN 12 -0.054 2.551 -3.491 95 2HD2 ASN 12 HD22 ASN 12 -0.175 1.306 -4.638 96 H ARG 13 HN ARG 13 1.514 1.568 1.275 97 HA ARG 13 HA ARG 13 3.817 3.158 1.611 98 1HB ARG 13 HB2 ARG 13 1.519 3.021 2.845 99 2HB ARG 13 HB1 ARG 13 2.340 1.872 3.904 100 1HG ARG 13 HG2 ARG 13 4.186 3.682 4.094 101 2HG ARG 13 HG1 ARG 13 2.970 4.785 3.448 102 1HD ARG 13 HD2 ARG 13 1.834 3.147 5.565 103 2HD ARG 13 HD1 ARG 13 3.256 4.038 6.141 104 HE ARG 13 HE ARG 13 0.755 5.239 5.170 105 1HH1 ARG 13 HH11 ARG 13 3.364 5.743 7.123 106 2HH1 ARG 13 HH12 ARG 13 3.643 7.392 6.672 107 1HH2 ARG 13 HH21 ARG 13 1.432 7.314 4.002 108 2HH2 ARG 13 HH22 ARG 13 2.549 8.282 4.905 109 H SER 14 HN SER 14 3.150 -0.049 3.078 110 HA SER 14 HA SER 14 5.643 -0.390 4.388 111 1HB SER 14 HB2 SER 14 3.626 -1.770 4.719 112 2HB SER 14 HB1 SER 14 3.783 -2.405 3.083 113 HG SER 14 HG SER 14 4.929 -3.278 5.306 114 H PHE 15 HN PHE 15 4.639 -1.536 1.140 115 HA PHE 15 HA PHE 15 7.062 -2.741 0.345 116 1HB PHE 15 HB2 PHE 15 4.651 -1.558 -0.886 117 2HB PHE 15 HB1 PHE 15 6.054 -1.624 -1.953 118 HD1 PHE 15 HD1 PHE 15 6.794 -3.678 -2.887 119 HD2 PHE 15 HD2 PHE 15 3.903 -3.683 0.290 120 HE1 PHE 15 HE1 PHE 15 6.423 -6.106 -3.229 121 HE2 PHE 15 HE2 PHE 15 3.533 -6.110 -0.051 122 HZ PHE 15 HZ PHE 15 4.793 -7.323 -1.810 123 H THR 16 HN THR 16 6.046 0.673 0.030 124 HA THR 16 HA THR 16 8.396 1.591 -1.336 125 HB THR 16 HB THR 16 6.466 3.002 0.538 126 HG1 THR 16 HG1 THR 16 6.457 2.395 -2.216 127 1HG2 THR 16 HG21 THR 16 8.835 3.966 -0.509 128 2HG2 THR 16 HG22 THR 16 7.469 4.957 0.003 129 3HG2 THR 16 HG23 THR 16 7.639 4.498 -1.691 130 H GLN 17 HN GLN 17 7.522 1.622 2.140 131 HA GLN 17 HA GLN 17 9.881 2.853 3.128 132 1HB GLN 17 HB2 GLN 17 7.619 2.178 4.229 133 2HB GLN 17 HB1 GLN 17 8.403 0.627 4.528 134 1HG GLN 17 HG2 GLN 17 10.222 2.717 5.260 135 2HG GLN 17 HG1 GLN 17 8.666 3.033 6.030 136 1HE2 GLN 17 HE21 GLN 17 7.973 1.596 7.704 137 2HE2 GLN 17 HE22 GLN 17 8.923 0.306 8.266 138 H ALA 18 HN ALA 18 9.155 -0.615 2.624 139 HA ALA 18 HA ALA 18 11.689 -1.595 3.565 140 1HB ALA 18 HB1 ALA 18 10.869 -3.553 1.983 141 2HB ALA 18 HB2 ALA 18 9.401 -2.580 1.890 142 3HB ALA 18 HB3 ALA 18 9.970 -3.171 3.452 143 H LEU 19 HN LEU 19 10.469 -1.011 0.243 144 HA LEU 19 HA LEU 19 12.762 -1.750 -1.212 145 1HB LEU 19 HB2 LEU 19 10.316 -0.252 -1.551 146 2HB LEU 19 HB1 LEU 19 11.628 0.551 -2.415 147 HG LEU 19 HG LEU 19 11.227 -2.426 -2.643 148 1HD1 LEU 19 HD11 LEU 19 9.898 -0.250 -4.286 149 2HD1 LEU 19 HD12 LEU 19 9.083 -1.428 -3.257 150 3HD1 LEU 19 HD13 LEU 19 9.920 -1.960 -4.716 151 1HD2 LEU 19 HD21 LEU 19 12.094 -1.009 -5.004 152 2HD2 LEU 19 HD22 LEU 19 12.956 -2.237 -4.078 153 3HD2 LEU 19 HD23 LEU 19 13.092 -0.536 -3.630 154 H GLY 20 HN GLY 20 11.993 1.406 0.283 155 1HA GLY 20 HA2 GLY 20 13.518 3.027 1.098 156 2HA GLY 20 HA1 GLY 20 14.848 2.000 0.555 157 H LYS 21 HN LYS 21 12.778 2.200 -2.029 158 HA LYS 21 HA LYS 21 12.812 3.465 -4.025 159 1HB LYS 21 HB2 LYS 21 12.798 5.215 -1.836 160 2HB LYS 21 HB1 LYS 21 14.079 5.828 -2.883 161 1HG LYS 21 HG2 LYS 21 11.254 5.189 -3.782 162 2HG LYS 21 HG1 LYS 21 11.872 6.809 -3.460 163 1HD LYS 21 HD2 LYS 21 13.678 6.346 -5.182 164 2HD LYS 21 HD1 LYS 21 12.789 4.884 -5.609 165 1HE LYS 21 HE2 LYS 21 10.991 7.165 -5.496 166 2HE LYS 21 HE1 LYS 21 12.324 7.460 -6.630 167 1HZ LYS 21 HZ1 LYS 21 10.644 5.008 -6.525 168 2HZ LYS 21 HZ2 LYS 21 11.946 5.268 -7.587 169 3HZ LYS 21 HZ3 LYS 21 10.544 6.221 -7.706 170 1HN NH2 22 1HN NH2 22 14.939 1.731 -3.920 171 2HN NH2 22 2HN NH2 22 16.380 2.478 -4.413
Contact the webmaster for help, if required. Friday, May 17, 2024 5:13:20 AM GMT (wattos1)