NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622864 | 5y3u | 36110 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 HT1 LEU 1 11.311 -6.952 4.033 2 H2 LEU 1 HT2 LEU 1 12.780 -7.777 4.140 3 H3 LEU 1 HT3 LEU 1 11.327 -8.636 4.176 4 HA LEU 1 HA LEU 1 12.399 -8.841 2.034 5 HB2 LEU 1 HB2 LEU 1 9.885 -7.164 2.024 6 HB3 LEU 1 HB1 LEU 1 10.506 -8.029 0.635 7 HG LEU 1 HG LEU 1 9.675 -9.379 3.202 8 HD11 LEU 1 HD11 LEU 1 8.135 -9.016 0.636 9 HD12 LEU 1 HD12 LEU 1 7.753 -8.280 2.192 10 HD13 LEU 1 HD13 LEU 1 7.645 -10.029 1.993 11 HD21 LEU 1 HD21 LEU 1 11.276 -10.627 1.838 12 HD22 LEU 1 HD22 LEU 1 10.222 -10.448 0.436 13 HD23 LEU 1 HD23 LEU 1 9.688 -11.394 1.825 14 H ARG 2 HN ARG 2 11.114 -5.517 2.252 15 HA ARG 2 HA ARG 2 13.610 -4.330 1.560 16 HB2 ARG 2 HB2 ARG 2 12.558 -5.330 -0.646 17 HB3 ARG 2 HB1 ARG 2 11.510 -3.920 -0.532 18 HG2 ARG 2 HG2 ARG 2 13.322 -3.393 -1.986 19 HG3 ARG 2 HG1 ARG 2 13.530 -2.486 -0.491 20 HD2 ARG 2 HD2 ARG 2 15.652 -3.408 -1.235 21 HD3 ARG 2 HD1 ARG 2 15.157 -4.144 0.287 22 HE ARG 2 HE ARG 2 14.327 -5.657 -2.000 23 HH11 ARG 2 HH11 ARG 2 17.005 -5.028 0.171 24 HH12 ARG 2 HH12 ARG 2 17.760 -6.565 -0.107 25 HH21 ARG 2 HH21 ARG 2 15.332 -7.681 -2.378 26 HH22 ARG 2 HH22 ARG 2 16.825 -8.058 -1.581 27 H LEU 3 HN LEU 3 13.351 -1.930 1.362 28 HA LEU 3 HA LEU 3 11.351 -1.072 3.231 29 HB2 LEU 3 HB2 LEU 3 13.527 -0.117 3.454 30 HB3 LEU 3 HB1 LEU 3 13.536 0.383 1.775 31 HG LEU 3 HG LEU 3 11.809 2.045 2.230 32 HD11 LEU 3 HD11 LEU 3 10.641 0.848 4.012 33 HD12 LEU 3 HD12 LEU 3 11.060 2.494 4.491 34 HD13 LEU 3 HD13 LEU 3 12.007 1.133 5.092 35 HD21 LEU 3 HD21 LEU 3 14.154 2.680 2.472 36 HD22 LEU 3 HD22 LEU 3 14.117 2.192 4.166 37 HD23 LEU 3 HD23 LEU 3 13.136 3.550 3.618 38 H ILE 4 HN ILE 4 12.231 0.158 0.030 39 HA ILE 4 HA ILE 4 10.067 1.884 -0.206 40 HB ILE 4 HB ILE 4 11.811 0.627 -2.292 41 HG12 ILE 4 HG12 ILE 4 12.860 2.144 -0.648 42 HG13 ILE 4 HG11 ILE 4 12.913 2.791 -2.284 43 HG21 ILE 4 HG21 ILE 4 9.747 1.202 -3.398 44 HG22 ILE 4 HG22 ILE 4 10.992 2.372 -3.839 45 HG23 ILE 4 HG23 ILE 4 9.759 2.802 -2.653 46 HD11 ILE 4 HD11 ILE 4 11.022 3.615 -0.095 47 HD12 ILE 4 HD12 ILE 4 11.001 4.239 -1.744 48 HD13 ILE 4 HD13 ILE 4 12.395 4.536 -0.706 49 H HIS 5 HN HIS 5 10.304 -1.505 -1.057 50 HA HIS 5 HA HIS 5 7.879 -1.501 -2.615 51 HB2 HIS 5 HB2 HIS 5 9.447 -3.848 -1.521 52 HB3 HIS 5 HB1 HIS 5 8.172 -3.933 -2.732 53 HD1 HIS 5 HD1 HIS 5 9.010 -3.973 -5.080 54 HD2 HIS 5 HD2 HIS 5 11.663 -2.109 -2.484 55 HE1 HIS 5 HE1 HIS 5 10.993 -3.331 -6.486 56 HE2 HIS 5 HE2 HIS 5 12.654 -2.363 -4.859 57 H ALA 6 HN ALA 6 8.701 -1.739 0.666 58 HA ALA 6 HA ALA 6 6.187 -2.951 1.479 59 HB1 ALA 6 HB1 ALA 6 8.409 -1.740 3.131 60 HB2 ALA 6 HB2 ALA 6 8.280 -3.447 2.703 61 HB3 ALA 6 HB3 ALA 6 7.060 -2.702 3.740 62 H VAL 7 HN VAL 7 7.879 0.094 1.425 63 HA VAL 7 HA VAL 7 6.050 1.757 2.682 64 HB VAL 7 HB VAL 7 8.058 2.228 0.494 65 HG11 VAL 7 HG11 VAL 7 6.412 3.870 0.012 66 HG12 VAL 7 HG12 VAL 7 7.707 4.683 0.903 67 HG13 VAL 7 HG13 VAL 7 6.205 4.256 1.724 68 HG21 VAL 7 HG21 VAL 7 8.937 1.773 2.686 69 HG22 VAL 7 HG22 VAL 7 7.919 3.030 3.389 70 HG23 VAL 7 HG23 VAL 7 9.216 3.465 2.272 71 H ARG 8 HN ARG 8 6.432 1.117 -0.783 72 HA ARG 8 HA ARG 8 4.187 2.645 -1.528 73 HB2 ARG 8 HB2 ARG 8 5.731 0.509 -2.978 74 HB3 ARG 8 HB1 ARG 8 4.464 1.479 -3.730 75 HG2 ARG 8 HG2 ARG 8 5.739 3.515 -3.179 76 HG3 ARG 8 HG1 ARG 8 7.026 2.507 -2.516 77 HD2 ARG 8 HD2 ARG 8 7.314 1.450 -4.712 78 HD3 ARG 8 HD1 ARG 8 6.031 2.464 -5.368 79 HE ARG 8 HE ARG 8 7.955 4.141 -4.243 80 HH11 ARG 8 HH11 ARG 8 7.627 1.910 -6.917 81 HH12 ARG 8 HH12 ARG 8 8.838 2.691 -7.880 82 HH21 ARG 8 HH21 ARG 8 9.557 5.164 -5.497 83 HH22 ARG 8 HH22 ARG 8 9.953 4.533 -7.064 84 H GLY 9 HN GLY 9 4.612 -0.779 -0.827 85 HA2 GLY 9 HA2 GLY 9 1.933 -1.483 -1.519 86 HA3 GLY 9 HA1 GLY 9 3.038 -2.451 -0.549 87 H TYR 10 HN TYR 10 3.189 0.332 0.971 88 HA TYR 10 HA TYR 10 1.149 -0.350 2.911 89 HB2 TYR 10 HB2 TYR 10 3.088 0.149 4.057 90 HB3 TYR 10 HB1 TYR 10 3.617 1.314 2.858 91 HD1 TYR 10 HD1 TYR 10 3.523 3.536 3.324 92 HD2 TYR 10 HD2 TYR 10 1.031 0.898 5.536 93 HE1 TYR 10 HE1 TYR 10 2.850 5.402 4.767 94 HE2 TYR 10 HE2 TYR 10 0.344 2.762 6.992 95 HH TYR 10 HH TYR 10 0.958 6.009 6.221 96 H TRP 11 HN TRP 11 2.137 2.615 1.106 97 HA TRP 11 HA TRP 11 -0.329 3.843 1.937 98 HB2 TRP 11 HB2 TRP 11 0.412 5.858 0.766 99 HB3 TRP 11 HB1 TRP 11 1.611 5.260 1.896 100 HD1 TRP 11 HD1 TRP 11 3.823 4.079 0.757 101 HE1 TRP 11 HE1 TRP 11 5.006 4.644 -1.459 102 HE3 TRP 11 HE3 TRP 11 0.043 6.618 -1.546 103 HZ2 TRP 11 HZ2 TRP 11 4.413 5.992 -3.862 104 HZ3 TRP 11 HZ3 TRP 11 0.432 7.524 -3.802 105 HH2 TRP 11 HH2 TRP 11 2.573 7.216 -4.935 106 H LEU 12 HN LEU 12 0.886 2.462 -1.088 107 HA LEU 12 HA LEU 12 -1.214 3.457 -2.709 108 HB2 LEU 12 HB2 LEU 12 0.494 0.992 -3.026 109 HB3 LEU 12 HB1 LEU 12 -0.611 1.588 -4.250 110 HG LEU 12 HG LEU 12 1.722 3.160 -3.171 111 HD11 LEU 12 HD11 LEU 12 2.844 2.634 -5.261 112 HD12 LEU 12 HD12 LEU 12 1.479 1.638 -5.765 113 HD13 LEU 12 HD13 LEU 12 2.462 1.152 -4.383 114 HD21 LEU 12 HD21 LEU 12 1.306 4.576 -5.131 115 HD22 LEU 12 HD22 LEU 12 -0.076 4.539 -4.036 116 HD23 LEU 12 HD23 LEU 12 -0.107 3.598 -5.527 117 H THR 13 HN THR 13 -1.037 0.886 -0.437 118 HA THR 13 HA THR 13 -3.479 -0.360 -1.409 119 HB THR 13 HB THR 13 -1.336 -1.489 -0.279 120 HG1 THR 13 HG1 THR 13 -3.202 -2.566 -1.162 121 HG21 THR 13 HG21 THR 13 -1.844 -2.119 2.054 122 HG22 THR 13 HG22 THR 13 -3.208 -0.998 2.039 123 HG23 THR 13 HG23 THR 13 -1.562 -0.387 1.876 124 H ASN 14 HN ASN 14 -2.607 2.143 0.676 125 HA ASN 14 HA ASN 14 -4.899 1.739 2.446 126 HB2 ASN 14 HB2 ASN 14 -2.254 2.875 2.739 127 HB3 ASN 14 HB1 ASN 14 -3.509 3.942 3.355 128 HD21 ASN 14 HD21 ASN 14 -1.420 2.255 4.673 129 HD22 ASN 14 HD22 ASN 14 -2.286 1.304 5.826 130 H LYS 15 HN LYS 15 -3.484 4.247 0.349 131 HA LYS 15 HA LYS 15 -5.383 6.257 0.947 132 HB2 LYS 15 HB2 LYS 15 -3.934 5.940 -1.684 133 HB3 LYS 15 HB1 LYS 15 -4.535 7.427 -0.967 134 HG2 LYS 15 HG2 LYS 15 -2.287 5.732 0.082 135 HG3 LYS 15 HG1 LYS 15 -2.122 7.272 -0.769 136 HD2 LYS 15 HD2 LYS 15 -3.364 8.383 1.044 137 HD3 LYS 15 HD1 LYS 15 -3.475 6.843 1.896 138 HE2 LYS 15 HE2 LYS 15 -1.676 8.161 2.826 139 HE3 LYS 15 HE1 LYS 15 -1.018 6.751 2.001 140 HZ1 LYS 15 HZ1 LYS 15 -0.506 8.161 0.097 141 HZ2 LYS 15 HZ2 LYS 15 0.254 8.731 1.495 142 HZ3 LYS 15 HZ3 LYS 15 -1.126 9.509 0.907 143 H VAL 16 HN VAL 16 -5.329 3.630 -1.249 144 HA VAL 16 HA VAL 16 -7.632 4.232 -2.743 145 HB VAL 16 HB VAL 16 -6.095 2.668 -3.652 146 HG11 VAL 16 HG11 VAL 16 -6.492 0.966 -1.193 147 HG12 VAL 16 HG12 VAL 16 -5.093 2.004 -1.482 148 HG13 VAL 16 HG13 VAL 16 -5.413 0.626 -2.547 149 HG21 VAL 16 HG21 VAL 16 -8.522 1.148 -2.687 150 HG22 VAL 16 HG22 VAL 16 -7.474 0.668 -4.024 151 HG23 VAL 16 HG23 VAL 16 -8.428 2.146 -4.138 152 HA PRO 17 HA PRO 17 -10.565 3.228 0.522 153 HB2 PRO 17 HB2 PRO 17 -12.757 3.733 -1.053 154 HB3 PRO 17 HB1 PRO 17 -11.886 4.972 -0.147 155 HG2 PRO 17 HG2 PRO 17 -11.739 4.285 -3.041 156 HG3 PRO 17 HG1 PRO 17 -11.638 5.867 -2.252 157 HD2 PRO 17 HD2 PRO 17 -9.463 4.521 -3.186 158 HD3 PRO 17 HD1 PRO 17 -9.394 5.644 -1.820 159 H ILE 18 HN ILE 18 -10.884 1.163 0.915 160 HA ILE 18 HA ILE 18 -11.655 -0.607 -1.303 161 HB ILE 18 HB ILE 18 -10.661 -2.462 0.021 162 HG12 ILE 18 HG12 ILE 18 -9.620 -0.221 1.771 163 HG13 ILE 18 HG11 ILE 18 -10.833 -1.404 2.242 164 HG21 ILE 18 HG21 ILE 18 -8.311 -1.859 -0.427 165 HG22 ILE 18 HG22 ILE 18 -8.806 -0.184 -0.664 166 HG23 ILE 18 HG23 ILE 18 -9.383 -1.438 -1.761 167 HD11 ILE 18 HD11 ILE 18 -7.971 -1.999 1.541 168 HD12 ILE 18 HD12 ILE 18 -9.186 -3.184 2.014 169 HD13 ILE 18 HD13 ILE 18 -8.660 -1.955 3.164 170 H LYS 19 HN LYS 19 -13.528 0.890 0.090 171 HA LYS 19 HA LYS 19 -14.750 -0.811 2.095 172 HB2 LYS 19 HB2 LYS 19 -15.613 1.816 0.872 173 HB3 LYS 19 HB1 LYS 19 -16.516 0.971 2.122 174 HG2 LYS 19 HG2 LYS 19 -13.676 1.930 2.420 175 HG3 LYS 19 HG1 LYS 19 -15.101 2.803 2.990 176 HD2 LYS 19 HD2 LYS 19 -15.667 0.977 4.475 177 HD3 LYS 19 HD1 LYS 19 -14.324 0.019 3.852 178 HE2 LYS 19 HE2 LYS 19 -13.791 1.047 6.012 179 HE3 LYS 19 HE1 LYS 19 -12.735 1.624 4.726 180 HZ1 LYS 19 HZ1 LYS 19 -13.554 3.383 6.238 181 HZ2 LYS 19 HZ2 LYS 19 -15.124 3.096 5.681 182 HZ3 LYS 19 HZ3 LYS 19 -13.939 3.654 4.615 183 H ARG 20 HN ARG 20 -14.996 -0.142 -1.265 184 HA ARG 20 HA ARG 20 -17.517 -1.217 -1.841 185 HB2 ARG 20 HB2 ARG 20 -16.592 -1.603 -4.115 186 HB3 ARG 20 HB1 ARG 20 -16.275 0.019 -3.512 187 HG2 ARG 20 HG2 ARG 20 -13.994 -0.631 -2.943 188 HG3 ARG 20 HG1 ARG 20 -14.312 -2.267 -3.523 189 HD2 ARG 20 HD2 ARG 20 -14.714 -1.410 -5.762 190 HD3 ARG 20 HD1 ARG 20 -14.459 0.239 -5.195 191 HE ARG 20 HE ARG 20 -12.197 -1.313 -4.573 192 HH11 ARG 20 HH11 ARG 20 -13.842 0.018 -7.359 193 HH12 ARG 20 HH12 ARG 20 -12.394 0.195 -8.297 194 HH21 ARG 20 HH21 ARG 20 -10.279 -1.087 -5.805 195 HH22 ARG 20 HH22 ARG 20 -10.366 -0.445 -7.413 196 HA PRO 21 HA PRO 21 -16.850 -5.478 -0.888 197 HB2 PRO 21 HB2 PRO 21 -19.017 -6.526 -2.108 198 HB3 PRO 21 HB1 PRO 21 -19.129 -5.569 -0.628 199 HG2 PRO 21 HG2 PRO 21 -19.638 -4.748 -3.455 200 HG3 PRO 21 HG1 PRO 21 -20.550 -4.344 -1.991 201 HD2 PRO 21 HD2 PRO 21 -18.750 -2.659 -3.161 202 HD3 PRO 21 HD1 PRO 21 -19.128 -2.640 -1.428 203 H SER 22 HN SER 22 -14.916 -5.385 -2.344 204 HA SER 22 HA SER 22 -15.291 -6.616 -4.943 205 HB2 SER 22 HB2 SER 22 -12.732 -5.876 -3.502 206 HB3 SER 22 HB1 SER 22 -12.880 -6.335 -5.198 207 HG SER 22 HG SER 22 -12.905 -3.948 -4.401 Start of MODEL 2 1 H1 LEU 1 HT1 LEU 1 9.737 -9.010 1.550 2 H2 LEU 1 HT2 LEU 1 11.080 -8.600 0.607 3 H3 LEU 1 HT3 LEU 1 9.845 -7.474 0.852 4 HA LEU 1 HA LEU 1 10.342 -7.327 3.168 5 HB2 LEU 1 HB2 LEU 1 11.144 -9.714 3.310 6 HB3 LEU 1 HB1 LEU 1 12.647 -9.187 2.577 7 HG LEU 1 HG LEU 1 12.957 -7.624 4.517 8 HD11 LEU 1 HD11 LEU 1 11.664 -8.081 6.551 9 HD12 LEU 1 HD12 LEU 1 10.636 -9.186 5.641 10 HD13 LEU 1 HD13 LEU 1 10.649 -7.468 5.247 11 HD21 LEU 1 HD21 LEU 1 12.758 -10.566 5.135 12 HD22 LEU 1 HD22 LEU 1 13.679 -9.382 6.059 13 HD23 LEU 1 HD23 LEU 1 14.131 -9.747 4.395 14 H ARG 2 HN ARG 2 10.541 -5.391 1.737 15 HA ARG 2 HA ARG 2 13.327 -4.481 1.749 16 HB2 ARG 2 HB2 ARG 2 12.208 -5.229 -0.602 17 HB3 ARG 2 HB1 ARG 2 11.645 -3.565 -0.515 18 HG2 ARG 2 HG2 ARG 2 13.672 -3.658 -1.790 19 HG3 ARG 2 HG1 ARG 2 13.983 -2.821 -0.269 20 HD2 ARG 2 HD2 ARG 2 15.046 -4.749 0.657 21 HD3 ARG 2 HD1 ARG 2 14.551 -5.746 -0.707 22 HE ARG 2 HE ARG 2 16.035 -4.099 -2.029 23 HH11 ARG 2 HH11 ARG 2 16.661 -5.161 1.254 24 HH12 ARG 2 HH12 ARG 2 18.384 -5.056 1.089 25 HH21 ARG 2 HH21 ARG 2 18.310 -3.982 -2.244 26 HH22 ARG 2 HH22 ARG 2 19.320 -4.390 -0.893 27 H LEU 3 HN LEU 3 13.277 -1.957 1.374 28 HA LEU 3 HA LEU 3 11.375 -0.958 3.264 29 HB2 LEU 3 HB2 LEU 3 13.601 -0.064 3.328 30 HB3 LEU 3 HB1 LEU 3 13.502 0.427 1.648 31 HG LEU 3 HG LEU 3 11.836 2.112 2.196 32 HD11 LEU 3 HD11 LEU 3 12.144 1.173 5.043 33 HD12 LEU 3 HD12 LEU 3 10.723 0.937 4.021 34 HD13 LEU 3 HD13 LEU 3 11.206 2.566 4.503 35 HD21 LEU 3 HD21 LEU 3 13.234 3.592 3.557 36 HD22 LEU 3 HD22 LEU 3 14.174 2.744 2.329 37 HD23 LEU 3 HD23 LEU 3 14.238 2.216 4.010 38 H ILE 4 HN ILE 4 12.151 0.120 -0.004 39 HA ILE 4 HA ILE 4 9.999 1.869 -0.242 40 HB ILE 4 HB ILE 4 11.679 0.522 -2.330 41 HG12 ILE 4 HG12 ILE 4 12.824 2.011 -0.729 42 HG13 ILE 4 HG11 ILE 4 12.857 2.648 -2.368 43 HG21 ILE 4 HG21 ILE 4 9.678 2.747 -2.656 44 HG22 ILE 4 HG22 ILE 4 9.638 1.153 -3.413 45 HG23 ILE 4 HG23 ILE 4 10.891 2.311 -3.860 46 HD11 ILE 4 HD11 ILE 4 10.994 4.152 -1.780 47 HD12 ILE 4 HD12 ILE 4 12.441 4.425 -0.811 48 HD13 ILE 4 HD13 ILE 4 11.073 3.551 -0.124 49 H HIS 5 HN HIS 5 10.227 -1.539 -0.986 50 HA HIS 5 HA HIS 5 7.796 -1.593 -2.523 51 HB2 HIS 5 HB2 HIS 5 9.374 -3.893 -1.347 52 HB3 HIS 5 HB1 HIS 5 8.094 -4.024 -2.549 53 HD1 HIS 5 HD1 HIS 5 8.831 -3.966 -4.934 54 HD2 HIS 5 HD2 HIS 5 11.654 -2.349 -2.348 55 HE1 HIS 5 HE1 HIS 5 10.846 -3.464 -6.354 56 HE2 HIS 5 HE2 HIS 5 12.586 -2.611 -4.750 57 H ALA 6 HN ALA 6 8.660 -1.762 0.765 58 HA ALA 6 HA ALA 6 6.164 -2.937 1.645 59 HB1 ALA 6 HB1 ALA 6 8.388 -1.630 3.217 60 HB2 ALA 6 HB2 ALA 6 8.261 -3.357 2.877 61 HB3 ALA 6 HB3 ALA 6 7.048 -2.565 3.888 62 H VAL 7 HN VAL 7 7.792 0.122 1.378 63 HA VAL 7 HA VAL 7 5.935 1.764 2.669 64 HB VAL 7 HB VAL 7 7.944 2.319 0.494 65 HG11 VAL 7 HG11 VAL 7 7.624 4.735 1.067 66 HG12 VAL 7 HG12 VAL 7 6.154 4.272 1.927 67 HG13 VAL 7 HG13 VAL 7 6.285 3.995 0.186 68 HG21 VAL 7 HG21 VAL 7 8.895 1.716 2.614 69 HG22 VAL 7 HG22 VAL 7 7.885 2.900 3.443 70 HG23 VAL 7 HG23 VAL 7 9.147 3.438 2.330 71 H ARG 8 HN ARG 8 6.399 1.199 -0.816 72 HA ARG 8 HA ARG 8 4.086 2.696 -1.500 73 HB2 ARG 8 HB2 ARG 8 5.696 0.738 -3.141 74 HB3 ARG 8 HB1 ARG 8 4.499 1.861 -3.782 75 HG2 ARG 8 HG2 ARG 8 5.819 3.749 -3.020 76 HG3 ARG 8 HG1 ARG 8 6.999 2.656 -2.300 77 HD2 ARG 8 HD2 ARG 8 7.916 3.351 -4.362 78 HD3 ARG 8 HD1 ARG 8 7.346 1.705 -4.612 79 HE ARG 8 HE ARG 8 5.251 3.133 -5.459 80 HH11 ARG 8 HH11 ARG 8 8.667 3.440 -6.120 81 HH12 ARG 8 HH12 ARG 8 8.437 4.062 -7.721 82 HH21 ARG 8 HH21 ARG 8 4.940 3.979 -7.574 83 HH22 ARG 8 HH22 ARG 8 6.322 4.371 -8.545 84 H GLY 9 HN GLY 9 4.721 -0.706 -0.958 85 HA2 GLY 9 HA2 GLY 9 2.063 -1.549 -1.649 86 HA3 GLY 9 HA1 GLY 9 3.263 -2.490 -0.766 87 H TYR 10 HN TYR 10 3.230 0.289 0.845 88 HA TYR 10 HA TYR 10 1.164 -0.526 2.710 89 HB2 TYR 10 HB2 TYR 10 3.051 0.030 3.920 90 HB3 TYR 10 HB1 TYR 10 3.540 1.267 2.780 91 HD1 TYR 10 HD1 TYR 10 0.765 0.632 5.215 92 HD2 TYR 10 HD2 TYR 10 3.436 3.412 3.440 93 HE1 TYR 10 HE1 TYR 10 -0.077 2.392 6.720 94 HE2 TYR 10 HE2 TYR 10 2.612 5.180 4.930 95 HH TYR 10 HH TYR 10 0.654 4.530 7.646 96 H TRP 11 HN TRP 11 2.119 2.545 1.075 97 HA TRP 11 HA TRP 11 -0.383 3.673 1.934 98 HB2 TRP 11 HB2 TRP 11 0.384 5.777 0.988 99 HB3 TRP 11 HB1 TRP 11 1.573 5.073 2.065 100 HD1 TRP 11 HD1 TRP 11 3.854 4.182 0.925 101 HE1 TRP 11 HE1 TRP 11 5.018 4.879 -1.264 102 HE3 TRP 11 HE3 TRP 11 -0.073 6.503 -1.364 103 HZ2 TRP 11 HZ2 TRP 11 4.350 6.238 -3.646 104 HZ3 TRP 11 HZ3 TRP 11 0.274 7.490 -3.591 105 HH2 TRP 11 HH2 TRP 11 2.437 7.360 -4.708 106 H LEU 12 HN LEU 12 0.744 2.279 -1.055 107 HA LEU 12 HA LEU 12 -1.290 3.537 -2.666 108 HB2 LEU 12 HB2 LEU 12 0.453 1.111 -3.143 109 HB3 LEU 12 HB1 LEU 12 -0.668 1.761 -4.326 110 HG LEU 12 HG LEU 12 1.662 3.293 -3.174 111 HD11 LEU 12 HD11 LEU 12 1.387 1.942 -5.861 112 HD12 LEU 12 HD12 LEU 12 2.413 1.390 -4.538 113 HD13 LEU 12 HD13 LEU 12 2.743 2.933 -5.326 114 HD21 LEU 12 HD21 LEU 12 -0.236 3.861 -5.442 115 HD22 LEU 12 HD22 LEU 12 1.186 4.823 -5.035 116 HD23 LEU 12 HD23 LEU 12 -0.153 4.701 -3.894 117 H THR 13 HN THR 13 -0.987 1.030 -0.496 118 HA THR 13 HA THR 13 -3.330 -0.430 -1.264 119 HB THR 13 HB THR 13 -1.575 -0.709 1.168 120 HG1 THR 13 HG1 THR 13 -0.138 -1.791 -0.086 121 HG21 THR 13 HG21 THR 13 -3.155 -2.666 -0.452 122 HG22 THR 13 HG22 THR 13 -3.590 -2.046 1.138 123 HG23 THR 13 HG23 THR 13 -2.154 -3.050 0.941 124 H ASN 14 HN ASN 14 -2.521 2.255 0.727 125 HA ASN 14 HA ASN 14 -4.760 1.780 2.562 126 HB2 ASN 14 HB2 ASN 14 -2.282 3.424 2.720 127 HB3 ASN 14 HB1 ASN 14 -3.691 3.930 3.636 128 HD21 ASN 14 HD21 ASN 14 -2.915 0.587 2.985 129 HD22 ASN 14 HD22 ASN 14 -2.517 0.163 4.609 130 H LYS 15 HN LYS 15 -3.409 4.493 0.665 131 HA LYS 15 HA LYS 15 -5.363 6.375 1.313 132 HB2 LYS 15 HB2 LYS 15 -3.890 6.254 -1.306 133 HB3 LYS 15 HB1 LYS 15 -4.528 7.681 -0.495 134 HG2 LYS 15 HG2 LYS 15 -2.938 7.016 1.422 135 HG3 LYS 15 HG1 LYS 15 -2.151 6.020 0.191 136 HD2 LYS 15 HD2 LYS 15 -1.792 7.970 -1.193 137 HD3 LYS 15 HD1 LYS 15 -2.690 8.969 -0.051 138 HE2 LYS 15 HE2 LYS 15 -0.990 8.469 1.672 139 HE3 LYS 15 HE1 LYS 15 -0.081 7.552 0.477 140 HZ1 LYS 15 HZ1 LYS 15 0.805 9.770 0.713 141 HZ2 LYS 15 HZ2 LYS 15 -0.696 10.448 0.337 142 HZ3 LYS 15 HZ3 LYS 15 0.150 9.575 -0.833 143 H VAL 16 HN VAL 16 -5.279 3.983 -1.170 144 HA VAL 16 HA VAL 16 -7.519 4.658 -2.672 145 HB VAL 16 HB VAL 16 -6.056 3.026 -3.532 146 HG11 VAL 16 HG11 VAL 16 -6.541 1.398 -1.040 147 HG12 VAL 16 HG12 VAL 16 -5.084 2.335 -1.389 148 HG13 VAL 16 HG13 VAL 16 -5.508 0.941 -2.394 149 HG21 VAL 16 HG21 VAL 16 -7.495 1.015 -3.848 150 HG22 VAL 16 HG22 VAL 16 -8.326 2.541 -4.147 151 HG23 VAL 16 HG23 VAL 16 -8.596 1.674 -2.637 152 HA PRO 17 HA PRO 17 -10.613 3.855 0.536 153 HB2 PRO 17 HB2 PRO 17 -12.702 4.802 -0.926 154 HB3 PRO 17 HB1 PRO 17 -11.595 5.850 -0.035 155 HG2 PRO 17 HG2 PRO 17 -11.628 5.169 -2.947 156 HG3 PRO 17 HG1 PRO 17 -11.346 6.736 -2.167 157 HD2 PRO 17 HD2 PRO 17 -9.328 5.198 -3.108 158 HD3 PRO 17 HD1 PRO 17 -9.151 6.241 -1.688 159 H ILE 18 HN ILE 18 -11.203 1.811 0.783 160 HA ILE 18 HA ILE 18 -12.677 0.498 -1.396 161 HB ILE 18 HB ILE 18 -11.655 -1.681 -0.721 162 HG12 ILE 18 HG12 ILE 18 -9.726 0.089 0.800 163 HG13 ILE 18 HG11 ILE 18 -10.900 -1.005 1.522 164 HG21 ILE 18 HG21 ILE 18 -10.884 -0.544 -2.709 165 HG22 ILE 18 HG22 ILE 18 -9.524 -1.316 -1.895 166 HG23 ILE 18 HG23 ILE 18 -9.766 0.424 -1.753 167 HD11 ILE 18 HD11 ILE 18 -8.554 -1.790 -0.190 168 HD12 ILE 18 HD12 ILE 18 -9.747 -2.902 0.484 169 HD13 ILE 18 HD13 ILE 18 -8.694 -1.982 1.558 170 H LYS 19 HN LYS 19 -13.839 1.858 0.725 171 HA LYS 19 HA LYS 19 -14.734 -0.218 2.579 172 HB2 LYS 19 HB2 LYS 19 -15.296 2.746 2.501 173 HB3 LYS 19 HB1 LYS 19 -15.959 1.645 3.699 174 HG2 LYS 19 HG2 LYS 19 -13.699 1.105 4.459 175 HG3 LYS 19 HG1 LYS 19 -13.032 2.212 3.257 176 HD2 LYS 19 HD2 LYS 19 -14.133 4.086 4.318 177 HD3 LYS 19 HD1 LYS 19 -14.933 3.005 5.460 178 HE2 LYS 19 HE2 LYS 19 -13.028 4.094 6.503 179 HE3 LYS 19 HE1 LYS 19 -12.754 2.359 6.370 180 HZ1 LYS 19 HZ1 LYS 19 -10.797 3.640 5.767 181 HZ2 LYS 19 HZ2 LYS 19 -11.652 4.417 4.536 182 HZ3 LYS 19 HZ3 LYS 19 -11.365 2.752 4.448 183 H ARG 20 HN ARG 20 -15.719 1.444 -0.247 184 HA ARG 20 HA ARG 20 -18.482 0.553 -0.010 185 HB2 ARG 20 HB2 ARG 20 -17.055 2.089 -2.194 186 HB3 ARG 20 HB1 ARG 20 -18.760 1.688 -2.209 187 HG2 ARG 20 HG2 ARG 20 -19.144 3.031 -0.252 188 HG3 ARG 20 HG1 ARG 20 -17.421 3.365 -0.136 189 HD2 ARG 20 HD2 ARG 20 -18.625 5.238 -1.139 190 HD3 ARG 20 HD1 ARG 20 -17.475 4.527 -2.269 191 HE ARG 20 HE ARG 20 -19.774 3.247 -2.870 192 HH11 ARG 20 HH11 ARG 20 -18.982 6.637 -2.502 193 HH12 ARG 20 HH12 ARG 20 -20.150 7.167 -3.670 194 HH21 ARG 20 HH21 ARG 20 -21.310 3.938 -4.404 195 HH22 ARG 20 HH22 ARG 20 -21.467 5.630 -4.763 196 HA PRO 21 HA PRO 21 -17.658 -3.084 -2.392 197 HB2 PRO 21 HB2 PRO 21 -20.295 -3.236 -3.499 198 HB3 PRO 21 HB1 PRO 21 -19.652 -4.103 -2.106 199 HG2 PRO 21 HG2 PRO 21 -21.611 -2.158 -1.992 200 HG3 PRO 21 HG1 PRO 21 -20.595 -2.657 -0.630 201 HD2 PRO 21 HD2 PRO 21 -20.354 -0.270 -2.403 202 HD3 PRO 21 HD1 PRO 21 -20.026 -0.429 -0.667 203 H SER 22 HN SER 22 -17.329 -0.427 -3.719 204 HA SER 22 HA SER 22 -17.643 -1.331 -6.498 205 HB2 SER 22 HB2 SER 22 -17.699 1.117 -7.091 206 HB3 SER 22 HB1 SER 22 -19.088 0.562 -6.159 207 HG SER 22 HG SER 22 -16.802 1.775 -4.999 Start of MODEL 3 1 H1 LEU 1 HT1 LEU 1 12.216 -8.415 0.241 2 H2 LEU 1 HT2 LEU 1 11.056 -9.474 0.864 3 H3 LEU 1 HT3 LEU 1 12.310 -8.915 1.851 4 HA LEU 1 HA LEU 1 10.148 -7.277 0.690 5 HB2 LEU 1 HB2 LEU 1 9.456 -8.737 2.562 6 HB3 LEU 1 HB1 LEU 1 10.727 -8.048 3.553 7 HG LEU 1 HG LEU 1 9.611 -5.826 3.355 8 HD11 LEU 1 HD11 LEU 1 7.416 -7.434 2.061 9 HD12 LEU 1 HD12 LEU 1 8.395 -6.189 1.287 10 HD13 LEU 1 HD13 LEU 1 7.289 -5.757 2.589 11 HD21 LEU 1 HD21 LEU 1 7.790 -6.349 4.905 12 HD22 LEU 1 HD22 LEU 1 9.265 -7.226 5.310 13 HD23 LEU 1 HD23 LEU 1 7.940 -8.059 4.499 14 H ARG 2 HN ARG 2 11.104 -5.446 0.040 15 HA ARG 2 HA ARG 2 13.459 -4.420 1.381 16 HB2 ARG 2 HB2 ARG 2 11.841 -3.405 -0.946 17 HB3 ARG 2 HB1 ARG 2 13.224 -2.552 -0.295 18 HG2 ARG 2 HG2 ARG 2 13.202 -5.241 -1.627 19 HG3 ARG 2 HG1 ARG 2 13.895 -3.728 -2.219 20 HD2 ARG 2 HD2 ARG 2 15.501 -3.748 -0.370 21 HD3 ARG 2 HD1 ARG 2 14.820 -5.272 0.198 22 HE ARG 2 HE ARG 2 15.524 -5.742 -2.406 23 HH11 ARG 2 HH11 ARG 2 17.195 -4.662 0.466 24 HH12 ARG 2 HH12 ARG 2 18.721 -5.328 -0.017 25 HH21 ARG 2 HH21 ARG 2 17.538 -6.636 -3.042 26 HH22 ARG 2 HH22 ARG 2 18.915 -6.457 -2.001 27 H LEU 3 HN LEU 3 13.334 -1.812 1.414 28 HA LEU 3 HA LEU 3 11.341 -1.130 3.370 29 HB2 LEU 3 HB2 LEU 3 13.549 -0.234 3.660 30 HB3 LEU 3 HB1 LEU 3 13.541 0.433 2.040 31 HG LEU 3 HG LEU 3 11.846 2.061 2.682 32 HD11 LEU 3 HD11 LEU 3 10.649 0.725 4.323 33 HD12 LEU 3 HD12 LEU 3 11.128 2.282 4.998 34 HD13 LEU 3 HD13 LEU 3 12.026 0.825 5.423 35 HD21 LEU 3 HD21 LEU 3 14.164 1.972 4.608 36 HD22 LEU 3 HD22 LEU 3 13.190 3.394 4.231 37 HD23 LEU 3 HD23 LEU 3 14.190 2.652 2.982 38 H ILE 4 HN ILE 4 12.212 -0.009 0.122 39 HA ILE 4 HA ILE 4 10.099 1.910 0.074 40 HB ILE 4 HB ILE 4 11.982 0.914 -2.033 41 HG12 ILE 4 HG12 ILE 4 12.901 2.281 -0.202 42 HG13 ILE 4 HG11 ILE 4 13.000 3.110 -1.751 43 HG21 ILE 4 HG21 ILE 4 9.887 3.061 -2.306 44 HG22 ILE 4 HG22 ILE 4 9.966 1.540 -3.198 45 HG23 ILE 4 HG23 ILE 4 11.198 2.777 -3.451 46 HD11 ILE 4 HD11 ILE 4 10.987 3.618 0.426 47 HD12 ILE 4 HD12 ILE 4 11.007 4.417 -1.145 48 HD13 ILE 4 HD13 ILE 4 12.344 4.651 -0.021 49 H HIS 5 HN HIS 5 10.459 -1.366 -0.997 50 HA HIS 5 HA HIS 5 8.083 -1.333 -2.634 51 HB2 HIS 5 HB2 HIS 5 9.716 -3.667 -1.620 52 HB3 HIS 5 HB1 HIS 5 8.443 -3.762 -2.834 53 HD1 HIS 5 HD1 HIS 5 9.179 -3.478 -5.206 54 HD2 HIS 5 HD2 HIS 5 11.951 -2.017 -2.481 55 HE1 HIS 5 HE1 HIS 5 11.158 -2.755 -6.580 56 HE2 HIS 5 HE2 HIS 5 12.891 -2.034 -4.898 57 H ALA 6 HN ALA 6 8.854 -1.721 0.643 58 HA ALA 6 HA ALA 6 6.364 -3.014 1.368 59 HB1 ALA 6 HB1 ALA 6 8.505 -1.744 3.077 60 HB2 ALA 6 HB2 ALA 6 8.434 -3.451 2.632 61 HB3 ALA 6 HB3 ALA 6 7.173 -2.750 3.654 62 H VAL 7 HN VAL 7 7.918 0.100 1.353 63 HA VAL 7 HA VAL 7 5.988 1.649 2.606 64 HB VAL 7 HB VAL 7 8.054 2.247 0.511 65 HG11 VAL 7 HG11 VAL 7 6.044 4.175 1.656 66 HG12 VAL 7 HG12 VAL 7 6.353 3.805 -0.050 67 HG13 VAL 7 HG13 VAL 7 7.559 4.674 0.905 68 HG21 VAL 7 HG21 VAL 7 9.034 3.558 2.356 69 HG22 VAL 7 HG22 VAL 7 8.863 1.844 2.734 70 HG23 VAL 7 HG23 VAL 7 7.721 3.012 3.401 71 H ARG 8 HN ARG 8 6.472 1.091 -0.867 72 HA ARG 8 HA ARG 8 4.199 2.547 -1.659 73 HB2 ARG 8 HB2 ARG 8 5.745 0.400 -3.101 74 HB3 ARG 8 HB1 ARG 8 4.561 1.462 -3.857 75 HG2 ARG 8 HG2 ARG 8 5.919 3.402 -3.289 76 HG3 ARG 8 HG1 ARG 8 7.094 2.358 -2.490 77 HD2 ARG 8 HD2 ARG 8 7.861 2.947 -4.721 78 HD3 ARG 8 HD1 ARG 8 7.521 1.219 -4.624 79 HE ARG 8 HE ARG 8 5.293 2.746 -5.588 80 HH11 ARG 8 HH11 ARG 8 8.299 1.219 -6.532 81 HH12 ARG 8 HH12 ARG 8 7.825 1.029 -8.189 82 HH21 ARG 8 HH21 ARG 8 4.675 2.503 -7.766 83 HH22 ARG 8 HH22 ARG 8 5.768 1.765 -8.894 84 H GLY 9 HN GLY 9 4.718 -0.873 -1.014 85 HA2 GLY 9 HA2 GLY 9 2.044 -1.657 -1.662 86 HA3 GLY 9 HA1 GLY 9 3.219 -2.608 -0.759 87 H TYR 10 HN TYR 10 3.225 0.208 0.801 88 HA TYR 10 HA TYR 10 1.155 -0.553 2.683 89 HB2 TYR 10 HB2 TYR 10 3.061 -0.045 3.868 90 HB3 TYR 10 HB1 TYR 10 3.564 1.192 2.729 91 HD1 TYR 10 HD1 TYR 10 0.680 0.624 5.063 92 HD2 TYR 10 HD2 TYR 10 3.602 3.287 3.504 93 HE1 TYR 10 HE1 TYR 10 -0.107 2.379 6.601 94 HE2 TYR 10 HE2 TYR 10 2.823 5.055 5.027 95 HH TYR 10 HH TYR 10 0.725 5.619 6.273 96 H TRP 11 HN TRP 11 2.133 2.434 0.904 97 HA TRP 11 HA TRP 11 -0.273 3.685 1.868 98 HB2 TRP 11 HB2 TRP 11 0.480 5.716 0.721 99 HB3 TRP 11 HB1 TRP 11 1.682 5.067 1.822 100 HD1 TRP 11 HD1 TRP 11 3.892 4.007 0.693 101 HE1 TRP 11 HE1 TRP 11 5.033 4.519 -1.550 102 HE3 TRP 11 HE3 TRP 11 0.005 6.322 -1.667 103 HZ2 TRP 11 HZ2 TRP 11 4.369 5.746 -4.010 104 HZ3 TRP 11 HZ3 TRP 11 0.339 7.145 -3.961 105 HH2 TRP 11 HH2 TRP 11 2.476 6.863 -5.107 106 H LEU 12 HN LEU 12 0.613 2.126 -1.126 107 HA LEU 12 HA LEU 12 -1.404 3.408 -2.698 108 HB2 LEU 12 HB2 LEU 12 0.006 0.757 -3.039 109 HB3 LEU 12 HB1 LEU 12 -1.055 1.475 -4.239 110 HG LEU 12 HG LEU 12 1.475 2.785 -3.235 111 HD11 LEU 12 HD11 LEU 12 0.995 1.204 -5.767 112 HD12 LEU 12 HD12 LEU 12 2.009 0.711 -4.410 113 HD13 LEU 12 HD13 LEU 12 2.455 2.114 -5.381 114 HD21 LEU 12 HD21 LEU 12 1.175 4.191 -5.228 115 HD22 LEU 12 HD22 LEU 12 -0.167 4.337 -4.094 116 HD23 LEU 12 HD23 LEU 12 -0.354 3.375 -5.561 117 H THR 13 HN THR 13 -1.242 0.886 -0.445 118 HA THR 13 HA THR 13 -3.723 -0.402 -1.011 119 HB THR 13 HB THR 13 -2.515 -0.720 1.636 120 HG1 THR 13 HG1 THR 13 -0.545 -1.538 0.781 121 HG21 THR 13 HG21 THR 13 -2.791 -2.610 -0.680 122 HG22 THR 13 HG22 THR 13 -4.048 -2.323 0.527 123 HG23 THR 13 HG23 THR 13 -2.502 -3.031 1.007 124 H ASN 14 HN ASN 14 -2.660 2.274 0.902 125 HA ASN 14 HA ASN 14 -5.120 2.238 2.489 126 HB2 ASN 14 HB2 ASN 14 -2.437 3.461 2.905 127 HB3 ASN 14 HB1 ASN 14 -3.837 4.083 3.764 128 HD21 ASN 14 HD21 ASN 14 -1.663 1.406 3.386 129 HD22 ASN 14 HD22 ASN 14 -2.163 0.547 4.803 130 H LYS 15 HN LYS 15 -3.305 4.292 0.248 131 HA LYS 15 HA LYS 15 -4.732 6.671 0.698 132 HB2 LYS 15 HB2 LYS 15 -3.861 7.437 -1.451 133 HB3 LYS 15 HB1 LYS 15 -2.610 6.647 -0.511 134 HG2 LYS 15 HG2 LYS 15 -2.223 5.820 -2.618 135 HG3 LYS 15 HG1 LYS 15 -3.234 4.555 -1.917 136 HD2 LYS 15 HD2 LYS 15 -5.208 5.627 -2.978 137 HD3 LYS 15 HD1 LYS 15 -4.116 6.764 -3.773 138 HE2 LYS 15 HE2 LYS 15 -2.992 4.901 -4.890 139 HE3 LYS 15 HE1 LYS 15 -4.079 3.764 -4.091 140 HZ1 LYS 15 HZ1 LYS 15 -4.849 5.861 -6.043 141 HZ2 LYS 15 HZ2 LYS 15 -5.942 4.870 -5.221 142 HZ3 LYS 15 HZ3 LYS 15 -4.843 4.194 -6.310 143 H VAL 16 HN VAL 16 -5.500 3.867 -1.090 144 HA VAL 16 HA VAL 16 -7.640 4.808 -2.637 145 HB VAL 16 HB VAL 16 -6.742 2.676 -3.178 146 HG11 VAL 16 HG11 VAL 16 -5.819 2.182 -0.929 147 HG12 VAL 16 HG12 VAL 16 -6.646 0.798 -1.653 148 HG13 VAL 16 HG13 VAL 16 -7.442 1.743 -0.394 149 HG21 VAL 16 HG21 VAL 16 -9.139 2.813 -3.532 150 HG22 VAL 16 HG22 VAL 16 -9.438 2.280 -1.877 151 HG23 VAL 16 HG23 VAL 16 -8.700 1.176 -3.040 152 HA PRO 17 HA PRO 17 -10.355 5.586 0.877 153 HB2 PRO 17 HB2 PRO 17 -12.396 6.592 -0.643 154 HB3 PRO 17 HB1 PRO 17 -11.014 7.550 -0.105 155 HG2 PRO 17 HG2 PRO 17 -11.520 6.275 -2.756 156 HG3 PRO 17 HG1 PRO 17 -10.800 7.852 -2.388 157 HD2 PRO 17 HD2 PRO 17 -9.316 5.689 -3.071 158 HD3 PRO 17 HD1 PRO 17 -8.722 6.945 -1.975 159 H ILE 18 HN ILE 18 -11.270 3.837 1.694 160 HA ILE 18 HA ILE 18 -12.745 2.003 -0.022 161 HB ILE 18 HB ILE 18 -12.859 0.555 2.017 162 HG12 ILE 18 HG12 ILE 18 -11.071 2.708 3.175 163 HG13 ILE 18 HG11 ILE 18 -12.692 2.299 3.722 164 HG21 ILE 18 HG21 ILE 18 -10.121 1.434 1.111 165 HG22 ILE 18 HG22 ILE 18 -11.139 0.211 0.351 166 HG23 ILE 18 HG23 ILE 18 -10.477 -0.070 1.961 167 HD11 ILE 18 HD11 ILE 18 -10.273 0.515 3.867 168 HD12 ILE 18 HD12 ILE 18 -11.899 0.088 4.398 169 HD13 ILE 18 HD13 ILE 18 -11.018 1.383 5.208 170 H LYS 19 HN LYS 19 -13.889 4.480 0.338 171 HA LYS 19 HA LYS 19 -16.001 4.230 2.311 172 HB2 LYS 19 HB2 LYS 19 -15.366 6.371 0.275 173 HB3 LYS 19 HB1 LYS 19 -16.730 6.446 1.382 174 HG2 LYS 19 HG2 LYS 19 -13.835 6.303 2.199 175 HG3 LYS 19 HG1 LYS 19 -14.822 7.768 2.161 176 HD2 LYS 19 HD2 LYS 19 -16.368 6.712 3.785 177 HD3 LYS 19 HD1 LYS 19 -15.283 5.324 3.870 178 HE2 LYS 19 HE2 LYS 19 -13.480 6.844 4.635 179 HE3 LYS 19 HE1 LYS 19 -14.647 8.165 4.654 180 HZ1 LYS 19 HZ1 LYS 19 -14.375 7.209 6.847 181 HZ2 LYS 19 HZ2 LYS 19 -14.817 5.684 6.272 182 HZ3 LYS 19 HZ3 LYS 19 -15.948 6.940 6.285 183 H ARG 20 HN ARG 20 -15.445 3.325 -0.882 184 HA ARG 20 HA ARG 20 -18.233 3.417 -1.679 185 HB2 ARG 20 HB2 ARG 20 -16.009 2.117 -3.228 186 HB3 ARG 20 HB1 ARG 20 -17.488 2.834 -3.833 187 HG2 ARG 20 HG2 ARG 20 -15.100 4.293 -2.734 188 HG3 ARG 20 HG1 ARG 20 -15.617 4.219 -4.418 189 HD2 ARG 20 HD2 ARG 20 -17.179 5.457 -2.155 190 HD3 ARG 20 HD1 ARG 20 -16.224 6.342 -3.340 191 HE ARG 20 HE ARG 20 -18.263 4.651 -4.482 192 HH11 ARG 20 HH11 ARG 20 -17.489 7.820 -3.216 193 HH12 ARG 20 HH12 ARG 20 -18.793 8.615 -4.041 194 HH21 ARG 20 HH21 ARG 20 -19.986 5.694 -5.579 195 HH22 ARG 20 HH22 ARG 20 -20.208 7.404 -5.391 196 HA PRO 21 HA PRO 21 -18.869 -0.888 -0.551 197 HB2 PRO 21 HB2 PRO 21 -20.814 -1.217 -2.682 198 HB3 PRO 21 HB1 PRO 21 -21.092 -1.104 -0.944 199 HG2 PRO 21 HG2 PRO 21 -21.852 0.825 -2.708 200 HG3 PRO 21 HG1 PRO 21 -21.441 1.154 -1.017 201 HD2 PRO 21 HD2 PRO 21 -19.781 1.532 -3.478 202 HD3 PRO 21 HD1 PRO 21 -19.945 2.579 -2.054 203 H SER 22 HN SER 22 -16.661 -0.513 -2.128 204 HA SER 22 HA SER 22 -16.859 -2.597 -4.191 205 HB2 SER 22 HB2 SER 22 -14.817 -0.367 -4.014 206 HB3 SER 22 HB1 SER 22 -15.049 -1.491 -5.353 207 HG SER 22 HG SER 22 -17.375 -0.437 -5.068 Start of MODEL 4 1 H1 LEU 1 HT1 LEU 1 14.095 -7.439 4.970 2 H2 LEU 1 HT2 LEU 1 14.299 -8.029 3.402 3 H3 LEU 1 HT3 LEU 1 13.301 -8.850 4.490 4 HA LEU 1 HA LEU 1 12.006 -7.610 2.889 5 HB2 LEU 1 HB2 LEU 1 11.139 -7.952 5.169 6 HB3 LEU 1 HB1 LEU 1 11.921 -6.474 5.690 7 HG LEU 1 HG LEU 1 10.454 -5.177 4.191 8 HD11 LEU 1 HD11 LEU 1 8.517 -6.276 3.158 9 HD12 LEU 1 HD12 LEU 1 9.164 -7.845 3.642 10 HD13 LEU 1 HD13 LEU 1 10.043 -6.847 2.484 11 HD21 LEU 1 HD21 LEU 1 9.824 -5.564 6.528 12 HD22 LEU 1 HD22 LEU 1 8.956 -7.021 6.047 13 HD23 LEU 1 HD23 LEU 1 8.412 -5.443 5.479 14 H ARG 2 HN ARG 2 12.075 -5.981 1.492 15 HA ARG 2 HA ARG 2 14.046 -3.910 1.794 16 HB2 ARG 2 HB2 ARG 2 13.207 -5.108 -0.382 17 HB3 ARG 2 HB1 ARG 2 11.926 -3.902 -0.321 18 HG2 ARG 2 HG2 ARG 2 13.668 -3.144 -1.785 19 HG3 ARG 2 HG1 ARG 2 13.623 -2.127 -0.348 20 HD2 ARG 2 HD2 ARG 2 15.913 -2.592 -0.887 21 HD3 ARG 2 HD1 ARG 2 15.498 -3.464 0.585 22 HE ARG 2 HE ARG 2 15.131 -5.074 -1.738 23 HH11 ARG 2 HH11 ARG 2 17.539 -3.866 0.494 24 HH12 ARG 2 HH12 ARG 2 18.664 -5.146 0.178 25 HH21 ARG 2 HH21 ARG 2 16.607 -6.779 -2.150 26 HH22 ARG 2 HH22 ARG 2 18.129 -6.806 -1.320 27 H LEU 3 HN LEU 3 13.414 -1.572 1.432 28 HA LEU 3 HA LEU 3 11.314 -0.969 3.317 29 HB2 LEU 3 HB2 LEU 3 13.417 0.184 3.574 30 HB3 LEU 3 HB1 LEU 3 13.335 0.767 1.924 31 HG LEU 3 HG LEU 3 11.454 2.200 2.474 32 HD11 LEU 3 HD11 LEU 3 10.402 0.788 4.156 33 HD12 LEU 3 HD12 LEU 3 10.667 2.421 4.769 34 HD13 LEU 3 HD13 LEU 3 11.734 1.110 5.269 35 HD21 LEU 3 HD21 LEU 3 13.720 2.476 4.445 36 HD22 LEU 3 HD22 LEU 3 12.596 3.751 3.978 37 HD23 LEU 3 HD23 LEU 3 13.708 3.078 2.787 38 H ILE 4 HN ILE 4 12.182 0.355 0.160 39 HA ILE 4 HA ILE 4 9.906 1.897 -0.159 40 HB ILE 4 HB ILE 4 11.847 0.787 -2.147 41 HG12 ILE 4 HG12 ILE 4 12.618 2.426 -0.454 42 HG13 ILE 4 HG11 ILE 4 12.738 3.044 -2.101 43 HG21 ILE 4 HG21 ILE 4 9.822 1.123 -3.392 44 HG22 ILE 4 HG22 ILE 4 10.943 2.435 -3.763 45 HG23 ILE 4 HG23 ILE 4 9.591 2.713 -2.664 46 HD11 ILE 4 HD11 ILE 4 11.922 4.758 -0.621 47 HD12 ILE 4 HD12 ILE 4 10.610 3.712 -0.084 48 HD13 ILE 4 HD13 ILE 4 10.650 4.294 -1.749 49 H HIS 5 HN HIS 5 10.375 -1.481 -0.959 50 HA HIS 5 HA HIS 5 8.044 -1.635 -2.636 51 HB2 HIS 5 HB2 HIS 5 9.624 -3.863 -1.333 52 HB3 HIS 5 HB1 HIS 5 8.402 -4.069 -2.586 53 HD1 HIS 5 HD1 HIS 5 9.238 -4.013 -4.941 54 HD2 HIS 5 HD2 HIS 5 11.893 -2.287 -2.257 55 HE1 HIS 5 HE1 HIS 5 11.278 -3.432 -6.289 56 HE2 HIS 5 HE2 HIS 5 12.945 -2.585 -4.607 57 H ALA 6 HN ALA 6 8.711 -1.847 0.713 58 HA ALA 6 HA ALA 6 6.156 -3.036 1.391 59 HB1 ALA 6 HB1 ALA 6 6.921 -2.804 3.692 60 HB2 ALA 6 HB2 ALA 6 8.299 -1.840 3.153 61 HB3 ALA 6 HB3 ALA 6 8.185 -3.544 2.706 62 H VAL 7 HN VAL 7 7.819 0.006 1.323 63 HA VAL 7 HA VAL 7 5.986 1.657 2.603 64 HB VAL 7 HB VAL 7 8.010 2.150 0.438 65 HG11 VAL 7 HG11 VAL 7 6.134 4.160 1.665 66 HG12 VAL 7 HG12 VAL 7 6.393 3.808 -0.051 67 HG13 VAL 7 HG13 VAL 7 7.657 4.603 0.891 68 HG21 VAL 7 HG21 VAL 7 7.840 2.904 3.343 69 HG22 VAL 7 HG22 VAL 7 9.135 3.390 2.248 70 HG23 VAL 7 HG23 VAL 7 8.890 1.684 2.621 71 H ARG 8 HN ARG 8 6.377 1.057 -0.882 72 HA ARG 8 HA ARG 8 4.123 2.606 -1.594 73 HB2 ARG 8 HB2 ARG 8 5.572 0.464 -3.140 74 HB3 ARG 8 HB1 ARG 8 4.410 1.593 -3.827 75 HG2 ARG 8 HG2 ARG 8 5.865 3.452 -3.218 76 HG3 ARG 8 HG1 ARG 8 7.030 2.321 -2.525 77 HD2 ARG 8 HD2 ARG 8 6.187 2.577 -5.403 78 HD3 ARG 8 HD1 ARG 8 7.779 2.900 -4.725 79 HE ARG 8 HE ARG 8 6.816 0.187 -4.417 80 HH11 ARG 8 HH11 ARG 8 8.738 2.409 -6.319 81 HH12 ARG 8 HH12 ARG 8 9.568 1.152 -7.181 82 HH21 ARG 8 HH21 ARG 8 7.871 -1.464 -5.563 83 HH22 ARG 8 HH22 ARG 8 9.062 -1.061 -6.759 84 H GLY 9 HN GLY 9 4.578 -0.804 -0.903 85 HA2 GLY 9 HA2 GLY 9 1.889 -1.543 -1.571 86 HA3 GLY 9 HA1 GLY 9 3.035 -2.507 -0.645 87 H TYR 10 HN TYR 10 3.142 0.307 0.880 88 HA TYR 10 HA TYR 10 1.099 -0.401 2.813 89 HB2 TYR 10 HB2 TYR 10 3.050 0.070 3.948 90 HB3 TYR 10 HB1 TYR 10 3.557 1.280 2.784 91 HD1 TYR 10 HD1 TYR 10 3.640 3.402 3.501 92 HD2 TYR 10 HD2 TYR 10 0.780 0.800 5.259 93 HE1 TYR 10 HE1 TYR 10 2.948 5.209 5.012 94 HE2 TYR 10 HE2 TYR 10 0.071 2.598 6.783 95 HH TYR 10 HH TYR 10 0.844 4.649 7.702 96 H TRP 11 HN TRP 11 2.118 2.583 1.062 97 HA TRP 11 HA TRP 11 -0.301 3.855 1.965 98 HB2 TRP 11 HB2 TRP 11 0.531 5.891 0.918 99 HB3 TRP 11 HB1 TRP 11 1.730 5.164 1.974 100 HD1 TRP 11 HD1 TRP 11 3.899 4.053 0.738 101 HE1 TRP 11 HE1 TRP 11 5.005 4.650 -1.515 102 HE3 TRP 11 HE3 TRP 11 0.044 6.628 -1.385 103 HZ2 TRP 11 HZ2 TRP 11 4.325 6.037 -3.867 104 HZ3 TRP 11 HZ3 TRP 11 0.351 7.573 -3.639 105 HH2 TRP 11 HH2 TRP 11 2.450 7.279 -4.854 106 H LEU 12 HN LEU 12 0.687 2.310 -1.004 107 HA LEU 12 HA LEU 12 -1.360 3.578 -2.595 108 HB2 LEU 12 HB2 LEU 12 0.362 1.142 -3.071 109 HB3 LEU 12 HB1 LEU 12 -0.794 1.759 -4.237 110 HG LEU 12 HG LEU 12 1.588 3.296 -3.202 111 HD11 LEU 12 HD11 LEU 12 2.547 2.900 -5.411 112 HD12 LEU 12 HD12 LEU 12 1.164 1.896 -5.844 113 HD13 LEU 12 HD13 LEU 12 2.264 1.379 -4.566 114 HD21 LEU 12 HD21 LEU 12 1.041 4.815 -5.054 115 HD22 LEU 12 HD22 LEU 12 -0.245 4.720 -3.850 116 HD23 LEU 12 HD23 LEU 12 -0.409 3.865 -5.385 117 H THR 13 HN THR 13 -0.974 0.946 -0.518 118 HA THR 13 HA THR 13 -3.375 -0.436 -1.256 119 HB THR 13 HB THR 13 -1.374 -0.819 0.975 120 HG1 THR 13 HG1 THR 13 -0.261 -2.076 -0.424 121 HG21 THR 13 HG21 THR 13 -3.335 -2.727 -0.235 122 HG22 THR 13 HG22 THR 13 -3.467 -1.970 1.349 123 HG23 THR 13 HG23 THR 13 -2.153 -3.096 1.018 124 H ASN 14 HN ASN 14 -2.622 2.265 0.501 125 HA ASN 14 HA ASN 14 -4.538 1.787 2.664 126 HB2 ASN 14 HB2 ASN 14 -2.053 3.088 2.487 127 HB3 ASN 14 HB1 ASN 14 -3.258 4.327 2.798 128 HD21 ASN 14 HD21 ASN 14 -1.676 1.502 4.002 129 HD22 ASN 14 HD22 ASN 14 -2.239 1.621 5.632 130 H LYS 15 HN LYS 15 -3.754 4.187 0.161 131 HA LYS 15 HA LYS 15 -5.857 5.979 0.578 132 HB2 LYS 15 HB2 LYS 15 -4.688 5.198 -2.100 133 HB3 LYS 15 HB1 LYS 15 -5.508 6.702 -1.715 134 HG2 LYS 15 HG2 LYS 15 -2.890 5.788 -0.559 135 HG3 LYS 15 HG1 LYS 15 -3.084 6.965 -1.858 136 HD2 LYS 15 HD2 LYS 15 -4.475 8.332 -0.259 137 HD3 LYS 15 HD1 LYS 15 -3.958 7.225 1.013 138 HE2 LYS 15 HE2 LYS 15 -2.524 9.142 1.063 139 HE3 LYS 15 HE1 LYS 15 -1.597 7.780 0.440 140 HZ1 LYS 15 HZ1 LYS 15 -2.850 9.899 -1.221 141 HZ2 LYS 15 HZ2 LYS 15 -1.917 8.616 -1.797 142 HZ3 LYS 15 HZ3 LYS 15 -1.209 9.810 -0.833 143 H VAL 16 HN VAL 16 -5.746 2.893 -0.828 144 HA VAL 16 HA VAL 16 -8.417 2.998 -1.939 145 HB VAL 16 HB VAL 16 -6.858 1.866 -3.320 146 HG11 VAL 16 HG11 VAL 16 -6.071 0.197 -0.932 147 HG12 VAL 16 HG12 VAL 16 -5.141 1.562 -1.557 148 HG13 VAL 16 HG13 VAL 16 -5.373 0.113 -2.552 149 HG21 VAL 16 HG21 VAL 16 -8.998 0.718 -3.176 150 HG22 VAL 16 HG22 VAL 16 -8.426 -0.216 -1.793 151 HG23 VAL 16 HG23 VAL 16 -7.692 -0.451 -3.380 152 HA PRO 17 HA PRO 17 -9.933 1.330 1.983 153 HB2 PRO 17 HB2 PRO 17 -12.550 1.293 1.155 154 HB3 PRO 17 HB1 PRO 17 -11.759 2.703 1.863 155 HG2 PRO 17 HG2 PRO 17 -12.312 2.078 -0.998 156 HG3 PRO 17 HG1 PRO 17 -12.383 3.634 -0.152 157 HD2 PRO 17 HD2 PRO 17 -10.317 2.917 -1.757 158 HD3 PRO 17 HD1 PRO 17 -10.118 3.983 -0.354 159 H ILE 18 HN ILE 18 -9.636 -0.767 2.293 160 HA ILE 18 HA ILE 18 -10.079 -2.632 0.118 161 HB ILE 18 HB ILE 18 -8.973 -4.303 1.567 162 HG12 ILE 18 HG12 ILE 18 -8.681 -1.988 3.498 163 HG13 ILE 18 HG11 ILE 18 -9.695 -3.403 3.746 164 HG21 ILE 18 HG21 ILE 18 -6.742 -3.283 1.504 165 HG22 ILE 18 HG22 ILE 18 -7.481 -1.701 1.255 166 HG23 ILE 18 HG23 ILE 18 -7.656 -2.958 0.032 167 HD11 ILE 18 HD11 ILE 18 -6.696 -3.401 3.517 168 HD12 ILE 18 HD12 ILE 18 -7.712 -4.819 3.771 169 HD13 ILE 18 HD13 ILE 18 -7.630 -3.562 5.005 170 H LYS 19 HN LYS 19 -12.335 -1.472 1.385 171 HA LYS 19 HA LYS 19 -13.596 -3.798 2.655 172 HB2 LYS 19 HB2 LYS 19 -14.456 -0.904 2.516 173 HB3 LYS 19 HB1 LYS 19 -15.431 -2.185 3.221 174 HG2 LYS 19 HG2 LYS 19 -13.718 -2.604 4.891 175 HG3 LYS 19 HG1 LYS 19 -12.687 -1.374 4.159 176 HD2 LYS 19 HD2 LYS 19 -14.310 0.347 4.694 177 HD3 LYS 19 HD1 LYS 19 -15.416 -0.865 5.341 178 HE2 LYS 19 HE2 LYS 19 -14.237 0.279 7.140 179 HE3 LYS 19 HE1 LYS 19 -13.787 -1.424 7.080 180 HZ1 LYS 19 HZ1 LYS 19 -11.886 0.081 7.414 181 HZ2 LYS 19 HZ2 LYS 19 -12.177 0.776 5.904 182 HZ3 LYS 19 HZ3 LYS 19 -11.732 -0.852 6.011 183 H ARG 20 HN ARG 20 -13.245 -2.236 -0.251 184 HA ARG 20 HA ARG 20 -15.806 -2.811 -1.402 185 HB2 ARG 20 HB2 ARG 20 -14.661 -2.254 -3.549 186 HB3 ARG 20 HB1 ARG 20 -14.533 -0.995 -2.332 187 HG2 ARG 20 HG2 ARG 20 -12.260 -1.804 -1.791 188 HG3 ARG 20 HG1 ARG 20 -12.399 -2.974 -3.103 189 HD2 ARG 20 HD2 ARG 20 -11.163 -0.953 -3.774 190 HD3 ARG 20 HD1 ARG 20 -12.632 -1.184 -4.718 191 HE ARG 20 HE ARG 20 -13.274 0.472 -2.576 192 HH11 ARG 20 HH11 ARG 20 -11.201 0.572 -5.402 193 HH12 ARG 20 HH12 ARG 20 -11.324 2.292 -5.585 194 HH21 ARG 20 HH21 ARG 20 -13.453 2.725 -2.831 195 HH22 ARG 20 HH22 ARG 20 -12.613 3.517 -4.128 196 HA PRO 21 HA PRO 21 -14.972 -7.082 -2.281 197 HB2 PRO 21 HB2 PRO 21 -17.006 -7.557 -3.991 198 HB3 PRO 21 HB1 PRO 21 -17.270 -7.315 -2.260 199 HG2 PRO 21 HG2 PRO 21 -17.609 -5.379 -4.516 200 HG3 PRO 21 HG1 PRO 21 -18.661 -5.660 -3.117 201 HD2 PRO 21 HD2 PRO 21 -16.885 -3.598 -3.264 202 HD3 PRO 21 HD1 PRO 21 -17.382 -4.345 -1.735 203 H SER 22 HN SER 22 -13.001 -6.082 -3.416 204 HA SER 22 HA SER 22 -13.170 -6.669 -6.290 205 HB2 SER 22 HB2 SER 22 -12.973 -4.207 -5.809 206 HB3 SER 22 HB1 SER 22 -11.424 -4.533 -5.039 207 HG SER 22 HG SER 22 -11.737 -3.976 -7.504 Start of MODEL 5 1 H1 LEU 1 HT1 LEU 1 11.336 -7.735 2.629 2 H2 LEU 1 HT2 LEU 1 9.889 -8.416 3.156 3 H3 LEU 1 HT3 LEU 1 10.320 -6.863 3.655 4 HA LEU 1 HA LEU 1 9.732 -7.666 0.870 5 HB2 LEU 1 HB2 LEU 1 8.095 -6.240 2.960 6 HB3 LEU 1 HB1 LEU 1 7.781 -6.023 1.254 7 HG LEU 1 HG LEU 1 7.363 -8.479 1.067 8 HD11 LEU 1 HD11 LEU 1 6.866 -9.690 3.188 9 HD12 LEU 1 HD12 LEU 1 7.657 -8.377 4.061 10 HD13 LEU 1 HD13 LEU 1 8.574 -9.359 2.919 11 HD21 LEU 1 HD21 LEU 1 5.522 -6.919 1.284 12 HD22 LEU 1 HD22 LEU 1 5.657 -6.973 3.040 13 HD23 LEU 1 HD23 LEU 1 5.167 -8.414 2.147 14 H ARG 2 HN ARG 2 12.098 -6.339 1.874 15 HA ARG 2 HA ARG 2 13.427 -4.556 1.473 16 HB2 ARG 2 HB2 ARG 2 11.372 -4.215 -0.674 17 HB3 ARG 2 HB1 ARG 2 12.587 -2.976 -0.428 18 HG2 ARG 2 HG2 ARG 2 13.073 -5.858 -1.136 19 HG3 ARG 2 HG1 ARG 2 13.263 -4.442 -2.176 20 HD2 ARG 2 HD2 ARG 2 15.023 -3.603 -0.697 21 HD3 ARG 2 HD1 ARG 2 14.858 -5.036 0.314 22 HE ARG 2 HE ARG 2 15.372 -6.095 -2.103 23 HH11 ARG 2 HH11 ARG 2 16.938 -3.569 -0.254 24 HH12 ARG 2 HH12 ARG 2 18.512 -3.886 -0.913 25 HH21 ARG 2 HH21 ARG 2 17.443 -6.497 -2.993 26 HH22 ARG 2 HH22 ARG 2 18.798 -5.549 -2.469 27 H LEU 3 HN LEU 3 13.201 -1.980 1.012 28 HA LEU 3 HA LEU 3 11.563 -0.950 3.167 29 HB2 LEU 3 HB2 LEU 3 13.825 -0.123 3.020 30 HB3 LEU 3 HB1 LEU 3 13.582 0.337 1.344 31 HG LEU 3 HG LEU 3 12.025 2.080 2.006 32 HD11 LEU 3 HD11 LEU 3 11.647 2.609 4.357 33 HD12 LEU 3 HD12 LEU 3 12.571 1.183 4.830 34 HD13 LEU 3 HD13 LEU 3 11.050 0.998 3.952 35 HD21 LEU 3 HD21 LEU 3 14.586 2.165 3.593 36 HD22 LEU 3 HD22 LEU 3 13.587 3.553 3.166 37 HD23 LEU 3 HD23 LEU 3 14.395 2.626 1.902 38 H ILE 4 HN ILE 4 12.040 -0.337 -0.289 39 HA ILE 4 HA ILE 4 10.041 1.697 -0.324 40 HB ILE 4 HB ILE 4 11.534 0.316 -2.527 41 HG12 ILE 4 HG12 ILE 4 12.841 1.731 -0.986 42 HG13 ILE 4 HG11 ILE 4 12.790 2.398 -2.613 43 HG21 ILE 4 HG21 ILE 4 9.590 2.603 -2.695 44 HG22 ILE 4 HG22 ILE 4 9.479 1.032 -3.497 45 HG23 ILE 4 HG23 ILE 4 10.733 2.180 -3.973 46 HD11 ILE 4 HD11 ILE 4 11.181 3.328 -0.248 47 HD12 ILE 4 HD12 ILE 4 11.042 3.969 -1.885 48 HD13 ILE 4 HD13 ILE 4 12.550 4.155 -0.990 49 H HIS 5 HN HIS 5 10.067 -1.705 -0.978 50 HA HIS 5 HA HIS 5 7.519 -1.681 -2.346 51 HB2 HIS 5 HB2 HIS 5 9.118 -4.016 -1.264 52 HB3 HIS 5 HB1 HIS 5 7.720 -4.135 -2.329 53 HD1 HIS 5 HD1 HIS 5 8.215 -4.161 -4.774 54 HD2 HIS 5 HD2 HIS 5 11.337 -2.577 -2.535 55 HE1 HIS 5 HE1 HIS 5 10.070 -3.709 -6.415 56 HE2 HIS 5 HE2 HIS 5 11.997 -2.893 -5.018 57 H ALA 6 HN ALA 6 8.676 -1.752 0.826 58 HA ALA 6 HA ALA 6 6.256 -2.808 2.013 59 HB1 ALA 6 HB1 ALA 6 8.458 -3.252 3.025 60 HB2 ALA 6 HB2 ALA 6 7.389 -2.376 4.125 61 HB3 ALA 6 HB3 ALA 6 8.676 -1.517 3.273 62 H VAL 7 HN VAL 7 7.707 0.160 1.093 63 HA VAL 7 HA VAL 7 6.001 1.821 2.684 64 HB VAL 7 HB VAL 7 7.989 2.416 0.498 65 HG11 VAL 7 HG11 VAL 7 6.324 4.086 0.195 66 HG12 VAL 7 HG12 VAL 7 7.637 4.834 1.115 67 HG13 VAL 7 HG13 VAL 7 6.159 4.328 1.938 68 HG21 VAL 7 HG21 VAL 7 9.187 3.535 2.339 69 HG22 VAL 7 HG22 VAL 7 8.948 1.810 2.619 70 HG23 VAL 7 HG23 VAL 7 7.932 2.986 3.455 71 H ARG 8 HN ARG 8 6.403 1.287 -0.809 72 HA ARG 8 HA ARG 8 4.107 2.817 -1.457 73 HB2 ARG 8 HB2 ARG 8 5.694 0.849 -3.101 74 HB3 ARG 8 HB1 ARG 8 4.469 1.939 -3.744 75 HG2 ARG 8 HG2 ARG 8 5.767 3.861 -3.033 76 HG3 ARG 8 HG1 ARG 8 6.971 2.799 -2.307 77 HD2 ARG 8 HD2 ARG 8 7.717 3.613 -4.477 78 HD3 ARG 8 HD1 ARG 8 7.493 1.869 -4.497 79 HE ARG 8 HE ARG 8 5.162 2.662 -5.471 80 HH11 ARG 8 HH11 ARG 8 8.375 3.837 -6.197 81 HH12 ARG 8 HH12 ARG 8 8.017 4.174 -7.860 82 HH21 ARG 8 HH21 ARG 8 4.674 3.121 -7.651 83 HH22 ARG 8 HH22 ARG 8 5.908 3.765 -8.686 84 H GLY 9 HN GLY 9 4.691 -0.640 -1.090 85 HA2 GLY 9 HA2 GLY 9 2.022 -1.421 -1.743 86 HA3 GLY 9 HA1 GLY 9 3.205 -2.394 -0.872 87 H TYR 10 HN TYR 10 3.221 0.338 0.798 88 HA TYR 10 HA TYR 10 1.209 -0.541 2.685 89 HB2 TYR 10 HB2 TYR 10 3.133 -0.007 3.848 90 HB3 TYR 10 HB1 TYR 10 3.565 1.283 2.743 91 HD1 TYR 10 HD1 TYR 10 0.851 0.509 5.215 92 HD2 TYR 10 HD2 TYR 10 3.459 3.392 3.504 93 HE1 TYR 10 HE1 TYR 10 0.017 2.194 6.802 94 HE2 TYR 10 HE2 TYR 10 2.640 5.089 5.077 95 HH TYR 10 HH TYR 10 0.654 5.525 6.448 96 H TRP 11 HN TRP 11 2.093 2.602 1.140 97 HA TRP 11 HA TRP 11 -0.430 3.633 2.060 98 HB2 TRP 11 HB2 TRP 11 0.280 5.797 1.199 99 HB3 TRP 11 HB1 TRP 11 1.486 5.078 2.252 100 HD1 TRP 11 HD1 TRP 11 3.787 4.251 1.046 101 HE1 TRP 11 HE1 TRP 11 4.928 5.101 -1.103 102 HE3 TRP 11 HE3 TRP 11 -0.187 6.641 -1.077 103 HZ2 TRP 11 HZ2 TRP 11 4.224 6.591 -3.391 104 HZ3 TRP 11 HZ3 TRP 11 0.125 7.768 -3.243 105 HH2 TRP 11 HH2 TRP 11 2.288 7.740 -4.373 106 H LEU 12 HN LEU 12 0.705 2.358 -0.967 107 HA LEU 12 HA LEU 12 -1.312 3.671 -2.556 108 HB2 LEU 12 HB2 LEU 12 0.434 1.269 -3.118 109 HB3 LEU 12 HB1 LEU 12 -0.649 1.998 -4.288 110 HG LEU 12 HG LEU 12 1.674 3.432 -3.001 111 HD11 LEU 12 HD11 LEU 12 2.788 3.170 -5.158 112 HD12 LEU 12 HD12 LEU 12 1.429 2.216 -5.756 113 HD13 LEU 12 HD13 LEU 12 2.432 1.597 -4.443 114 HD21 LEU 12 HD21 LEU 12 -0.103 4.909 -3.688 115 HD22 LEU 12 HD22 LEU 12 -0.161 4.150 -5.280 116 HD23 LEU 12 HD23 LEU 12 1.265 5.065 -4.789 117 H THR 13 HN THR 13 -0.953 0.971 -0.586 118 HA THR 13 HA THR 13 -3.298 -0.430 -1.452 119 HB THR 13 HB THR 13 -1.336 -0.854 0.807 120 HG1 THR 13 HG1 THR 13 -0.342 -2.292 -0.644 121 HG21 THR 13 HG21 THR 13 -3.429 -2.021 1.130 122 HG22 THR 13 HG22 THR 13 -2.101 -3.129 0.796 123 HG23 THR 13 HG23 THR 13 -3.271 -2.747 -0.466 124 H ASN 14 HN ASN 14 -2.522 2.128 0.624 125 HA ASN 14 HA ASN 14 -4.777 1.598 2.416 126 HB2 ASN 14 HB2 ASN 14 -2.254 3.083 2.670 127 HB3 ASN 14 HB1 ASN 14 -3.653 3.844 3.407 128 HD21 ASN 14 HD21 ASN 14 -1.522 1.103 3.457 129 HD22 ASN 14 HD22 ASN 14 -2.013 0.501 5.005 130 H LYS 15 HN LYS 15 -3.443 4.224 0.389 131 HA LYS 15 HA LYS 15 -5.576 6.010 0.930 132 HB2 LYS 15 HB2 LYS 15 -4.670 7.396 -0.834 133 HB3 LYS 15 HB1 LYS 15 -3.382 6.802 0.191 134 HG2 LYS 15 HG2 LYS 15 -2.502 6.621 -1.944 135 HG3 LYS 15 HG1 LYS 15 -3.078 4.991 -1.613 136 HD2 LYS 15 HD2 LYS 15 -3.723 5.570 -3.837 137 HD3 LYS 15 HD1 LYS 15 -5.167 5.539 -2.821 138 HE2 LYS 15 HE2 LYS 15 -5.231 7.450 -4.290 139 HE3 LYS 15 HE1 LYS 15 -5.064 7.983 -2.625 140 HZ1 LYS 15 HZ1 LYS 15 -2.716 8.338 -3.000 141 HZ2 LYS 15 HZ2 LYS 15 -3.616 9.214 -4.127 142 HZ3 LYS 15 HZ3 LYS 15 -2.851 7.783 -4.591 143 H VAL 16 HN VAL 16 -5.182 3.457 -1.252 144 HA VAL 16 HA VAL 16 -7.149 4.013 -3.142 145 HB VAL 16 HB VAL 16 -5.582 2.230 -3.526 146 HG11 VAL 16 HG11 VAL 16 -5.267 1.591 -1.157 147 HG12 VAL 16 HG12 VAL 16 -5.518 0.197 -2.216 148 HG13 VAL 16 HG13 VAL 16 -6.834 0.780 -1.197 149 HG21 VAL 16 HG21 VAL 16 -8.359 1.099 -3.173 150 HG22 VAL 16 HG22 VAL 16 -7.085 0.412 -4.183 151 HG23 VAL 16 HG23 VAL 16 -7.772 1.988 -4.580 152 HA PRO 17 HA PRO 17 -10.725 3.538 -0.444 153 HB2 PRO 17 HB2 PRO 17 -12.528 4.193 -2.387 154 HB3 PRO 17 HB1 PRO 17 -11.659 5.391 -1.426 155 HG2 PRO 17 HG2 PRO 17 -11.117 4.434 -4.201 156 HG3 PRO 17 HG1 PRO 17 -10.990 6.071 -3.533 157 HD2 PRO 17 HD2 PRO 17 -8.834 4.464 -3.941 158 HD3 PRO 17 HD1 PRO 17 -8.897 5.683 -2.659 159 H ILE 18 HN ILE 18 -11.255 1.499 -0.064 160 HA ILE 18 HA ILE 18 -11.513 -0.369 -2.270 161 HB ILE 18 HB ILE 18 -11.757 -2.111 -0.511 162 HG12 ILE 18 HG12 ILE 18 -11.183 0.165 1.399 163 HG13 ILE 18 HG11 ILE 18 -12.740 -0.637 1.233 164 HG21 ILE 18 HG21 ILE 18 -9.425 -1.988 0.270 165 HG22 ILE 18 HG22 ILE 18 -9.347 -0.315 -0.283 166 HG23 ILE 18 HG23 ILE 18 -9.581 -1.619 -1.447 167 HD11 ILE 18 HD11 ILE 18 -11.722 -2.737 1.972 168 HD12 ILE 18 HD12 ILE 18 -11.539 -1.456 3.169 169 HD13 ILE 18 HD13 ILE 18 -10.173 -1.912 2.152 170 H LYS 19 HN LYS 19 -13.418 1.642 -2.109 171 HA LYS 19 HA LYS 19 -15.868 0.224 -1.316 172 HB2 LYS 19 HB2 LYS 19 -15.452 3.152 -1.952 173 HB3 LYS 19 HB1 LYS 19 -16.961 2.423 -1.430 174 HG2 LYS 19 HG2 LYS 19 -15.974 1.862 0.716 175 HG3 LYS 19 HG1 LYS 19 -14.426 2.523 0.193 176 HD2 LYS 19 HD2 LYS 19 -15.465 4.735 -0.055 177 HD3 LYS 19 HD1 LYS 19 -17.002 4.065 0.493 178 HE2 LYS 19 HE2 LYS 19 -14.450 4.130 2.097 179 HE3 LYS 19 HE1 LYS 19 -15.802 5.244 2.288 180 HZ1 LYS 19 HZ1 LYS 19 -15.890 2.308 2.733 181 HZ2 LYS 19 HZ2 LYS 19 -17.205 3.358 2.885 182 HZ3 LYS 19 HZ3 LYS 19 -15.889 3.496 3.934 183 H ARG 20 HN ARG 20 -13.959 1.098 -3.928 184 HA ARG 20 HA ARG 20 -16.084 1.261 -5.890 185 HB2 ARG 20 HB2 ARG 20 -14.308 1.603 -7.501 186 HB3 ARG 20 HB1 ARG 20 -13.989 2.603 -6.091 187 HG2 ARG 20 HG2 ARG 20 -12.369 0.963 -5.288 188 HG3 ARG 20 HG1 ARG 20 -12.690 -0.043 -6.701 189 HD2 ARG 20 HD2 ARG 20 -11.958 1.859 -8.132 190 HD3 ARG 20 HD1 ARG 20 -11.496 2.720 -6.664 191 HE ARG 20 HE ARG 20 -10.331 0.074 -7.195 192 HH11 ARG 20 HH11 ARG 20 -9.947 3.546 -6.937 193 HH12 ARG 20 HH12 ARG 20 -8.216 3.486 -6.879 194 HH21 ARG 20 HH21 ARG 20 -8.042 -0.010 -7.137 195 HH22 ARG 20 HH22 ARG 20 -7.131 1.461 -7.016 196 HA PRO 21 HA PRO 21 -15.877 -3.101 -6.886 197 HB2 PRO 21 HB2 PRO 21 -17.085 -3.065 -9.291 198 HB3 PRO 21 HB1 PRO 21 -17.983 -2.787 -7.795 199 HG2 PRO 21 HG2 PRO 21 -16.982 -0.810 -9.800 200 HG3 PRO 21 HG1 PRO 21 -18.526 -0.842 -8.932 201 HD2 PRO 21 HD2 PRO 21 -16.391 0.730 -8.218 202 HD3 PRO 21 HD1 PRO 21 -17.647 0.187 -7.091 203 H SER 22 HN SER 22 -13.429 -2.059 -7.128 204 HA SER 22 HA SER 22 -12.362 -3.339 -9.465 205 HB2 SER 22 HB2 SER 22 -13.010 -1.034 -10.283 206 HB3 SER 22 HB1 SER 22 -11.847 -0.369 -9.141 207 HG SER 22 HG SER 22 -11.115 -2.312 -11.067 Start of MODEL 6 1 H1 LEU 1 HT1 LEU 1 11.615 -7.439 3.681 2 H2 LEU 1 HT2 LEU 1 12.721 -6.530 4.577 3 H3 LEU 1 HT3 LEU 1 12.673 -8.210 4.750 4 HA LEU 1 HA LEU 1 14.557 -7.581 3.436 5 HB2 LEU 1 HB2 LEU 1 12.328 -8.919 1.910 6 HB3 LEU 1 HB1 LEU 1 13.991 -8.877 1.357 7 HG LEU 1 HG LEU 1 13.069 -10.149 3.938 8 HD11 LEU 1 HD11 LEU 1 13.875 -11.413 1.323 9 HD12 LEU 1 HD12 LEU 1 12.242 -11.358 1.984 10 HD13 LEU 1 HD13 LEU 1 13.500 -12.273 2.817 11 HD21 LEU 1 HD21 LEU 1 15.742 -10.158 2.539 12 HD22 LEU 1 HD22 LEU 1 15.333 -11.102 3.971 13 HD23 LEU 1 HD23 LEU 1 15.359 -9.341 4.055 14 H ARG 2 HN ARG 2 11.534 -6.195 2.306 15 HA ARG 2 HA ARG 2 13.115 -4.406 0.585 16 HB2 ARG 2 HB2 ARG 2 10.554 -5.790 0.071 17 HB3 ARG 2 HB1 ARG 2 10.678 -4.133 -0.487 18 HG2 ARG 2 HG2 ARG 2 11.259 -5.674 -2.259 19 HG3 ARG 2 HG1 ARG 2 12.663 -4.718 -1.788 20 HD2 ARG 2 HD2 ARG 2 13.367 -6.641 -0.343 21 HD3 ARG 2 HD1 ARG 2 12.054 -7.577 -1.051 22 HE ARG 2 HE ARG 2 13.846 -6.411 -2.983 23 HH11 ARG 2 HH11 ARG 2 13.156 -9.193 -0.969 24 HH12 ARG 2 HH12 ARG 2 14.183 -10.262 -1.865 25 HH21 ARG 2 HH21 ARG 2 15.188 -7.827 -4.183 26 HH22 ARG 2 HH22 ARG 2 15.325 -9.487 -3.705 27 H LEU 3 HN LEU 3 12.970 -2.359 0.962 28 HA LEU 3 HA LEU 3 11.305 -1.422 3.149 29 HB2 LEU 3 HB2 LEU 3 13.620 -0.786 3.227 30 HB3 LEU 3 HB1 LEU 3 13.556 -0.185 1.582 31 HG LEU 3 HG LEU 3 12.114 1.660 2.287 32 HD11 LEU 3 HD11 LEU 3 10.962 0.583 4.124 33 HD12 LEU 3 HD12 LEU 3 11.726 2.077 4.666 34 HD13 LEU 3 HD13 LEU 3 12.459 0.521 5.054 35 HD21 LEU 3 HD21 LEU 3 13.771 2.895 3.593 36 HD22 LEU 3 HD22 LEU 3 14.529 1.977 2.293 37 HD23 LEU 3 HD23 LEU 3 14.614 1.388 3.953 38 H ILE 4 HN ILE 4 12.057 -0.493 -0.161 39 HA ILE 4 HA ILE 4 10.195 1.631 -0.242 40 HB ILE 4 HB ILE 4 11.678 0.172 -2.403 41 HG12 ILE 4 HG12 ILE 4 12.968 1.495 -0.739 42 HG13 ILE 4 HG11 ILE 4 13.112 2.117 -2.381 43 HG21 ILE 4 HG21 ILE 4 9.708 1.059 -3.444 44 HG22 ILE 4 HG22 ILE 4 11.080 2.084 -3.871 45 HG23 ILE 4 HG23 ILE 4 9.933 2.614 -2.639 46 HD11 ILE 4 HD11 ILE 4 11.455 3.853 -1.837 47 HD12 ILE 4 HD12 ILE 4 12.890 3.931 -0.816 48 HD13 ILE 4 HD13 ILE 4 11.395 3.243 -0.182 49 H HIS 5 HN HIS 5 9.999 -1.754 -1.010 50 HA HIS 5 HA HIS 5 7.499 -1.507 -2.432 51 HB2 HIS 5 HB2 HIS 5 8.858 -4.001 -1.383 52 HB3 HIS 5 HB1 HIS 5 7.519 -3.953 -2.525 53 HD1 HIS 5 HD1 HIS 5 8.186 -4.017 -4.930 54 HD2 HIS 5 HD2 HIS 5 11.246 -2.659 -2.473 55 HE1 HIS 5 HE1 HIS 5 10.166 -3.666 -6.440 56 HE2 HIS 5 HE2 HIS 5 11.967 -2.733 -4.960 57 H ALA 6 HN ALA 6 8.529 -1.760 0.790 58 HA ALA 6 HA ALA 6 5.994 -2.698 1.825 59 HB1 ALA 6 HB1 ALA 6 8.130 -3.257 2.946 60 HB2 ALA 6 HB2 ALA 6 7.019 -2.386 4.005 61 HB3 ALA 6 HB3 ALA 6 8.381 -1.542 3.267 62 H VAL 7 HN VAL 7 7.838 0.210 1.374 63 HA VAL 7 HA VAL 7 6.115 2.024 2.657 64 HB VAL 7 HB VAL 7 8.177 2.339 0.479 65 HG11 VAL 7 HG11 VAL 7 6.470 4.482 1.739 66 HG12 VAL 7 HG12 VAL 7 6.643 4.099 0.019 67 HG13 VAL 7 HG13 VAL 7 7.993 4.810 0.910 68 HG21 VAL 7 HG21 VAL 7 9.053 1.817 2.647 69 HG22 VAL 7 HG22 VAL 7 8.094 3.098 3.387 70 HG23 VAL 7 HG23 VAL 7 9.405 3.505 2.275 71 H ARG 8 HN ARG 8 6.564 1.385 -0.809 72 HA ARG 8 HA ARG 8 4.344 2.948 -1.576 73 HB2 ARG 8 HB2 ARG 8 5.813 0.770 -3.056 74 HB3 ARG 8 HB1 ARG 8 4.672 1.891 -3.793 75 HG2 ARG 8 HG2 ARG 8 6.116 3.763 -3.199 76 HG3 ARG 8 HG1 ARG 8 7.246 2.655 -2.421 77 HD2 ARG 8 HD2 ARG 8 8.025 3.249 -4.650 78 HD3 ARG 8 HD1 ARG 8 7.625 1.536 -4.563 79 HE ARG 8 HE ARG 8 5.645 3.419 -5.627 80 HH11 ARG 8 HH11 ARG 8 7.843 0.740 -6.135 81 HH12 ARG 8 HH12 ARG 8 7.210 0.358 -7.703 82 HH21 ARG 8 HH21 ARG 8 4.804 2.912 -7.673 83 HH22 ARG 8 HH22 ARG 8 5.470 1.591 -8.578 84 H GLY 9 HN GLY 9 4.755 -0.476 -0.908 85 HA2 GLY 9 HA2 GLY 9 2.071 -1.176 -1.609 86 HA3 GLY 9 HA1 GLY 9 3.197 -2.165 -0.687 87 H TYR 10 HN TYR 10 3.257 0.670 0.853 88 HA TYR 10 HA TYR 10 1.272 -0.142 2.806 89 HB2 TYR 10 HB2 TYR 10 3.113 0.508 4.007 90 HB3 TYR 10 HB1 TYR 10 3.651 1.623 2.766 91 HD1 TYR 10 HD1 TYR 10 3.561 3.847 3.171 92 HD2 TYR 10 HD2 TYR 10 0.919 1.300 5.319 93 HE1 TYR 10 HE1 TYR 10 2.786 5.767 4.471 94 HE2 TYR 10 HE2 TYR 10 0.128 3.225 6.631 95 HH TYR 10 HH TYR 10 0.920 5.459 7.294 96 H TRP 11 HN TRP 11 2.089 2.910 1.083 97 HA TRP 11 HA TRP 11 -0.445 3.994 1.905 98 HB2 TRP 11 HB2 TRP 11 0.200 6.022 0.631 99 HB3 TRP 11 HB1 TRP 11 1.370 5.541 1.847 100 HD1 TRP 11 HD1 TRP 11 3.672 4.371 0.864 101 HE1 TRP 11 HE1 TRP 11 4.940 4.877 -1.315 102 HE3 TRP 11 HE3 TRP 11 -0.067 6.699 -1.728 103 HZ2 TRP 11 HZ2 TRP 11 4.428 6.096 -3.796 104 HZ3 TRP 11 HZ3 TRP 11 0.412 7.510 -3.998 105 HH2 TRP 11 HH2 TRP 11 2.613 7.217 -5.011 106 H LEU 12 HN LEU 12 0.806 2.656 -1.114 107 HA LEU 12 HA LEU 12 -1.395 3.473 -2.702 108 HB2 LEU 12 HB2 LEU 12 0.466 1.113 -2.982 109 HB3 LEU 12 HB1 LEU 12 -0.721 1.570 -4.188 110 HG LEU 12 HG LEU 12 1.570 3.320 -3.284 111 HD11 LEU 12 HD11 LEU 12 1.237 1.695 -5.807 112 HD12 LEU 12 HD12 LEU 12 2.358 1.343 -4.491 113 HD13 LEU 12 HD13 LEU 12 2.561 2.805 -5.455 114 HD21 LEU 12 HD21 LEU 12 -0.439 3.611 -5.515 115 HD22 LEU 12 HD22 LEU 12 0.962 4.653 -5.264 116 HD23 LEU 12 HD23 LEU 12 -0.329 4.605 -4.063 117 H THR 13 HN THR 13 -0.793 0.722 -0.637 118 HA THR 13 HA THR 13 -3.186 -0.664 -1.420 119 HB THR 13 HB THR 13 -0.748 -1.331 -0.149 120 HG1 THR 13 HG1 THR 13 -2.879 -2.566 -1.366 121 HG21 THR 13 HG21 THR 13 -1.495 -2.737 1.719 122 HG22 THR 13 HG22 THR 13 -3.124 -2.083 1.554 123 HG23 THR 13 HG23 THR 13 -1.794 -1.026 2.024 124 H ASN 14 HN ASN 14 -2.490 1.836 0.771 125 HA ASN 14 HA ASN 14 -4.786 1.149 2.461 126 HB2 ASN 14 HB2 ASN 14 -2.375 2.796 2.849 127 HB3 ASN 14 HB1 ASN 14 -3.850 3.364 3.619 128 HD21 ASN 14 HD21 ASN 14 -1.424 0.900 3.541 129 HD22 ASN 14 HD22 ASN 14 -1.883 0.108 5.010 130 H LYS 15 HN LYS 15 -3.572 3.783 0.409 131 HA LYS 15 HA LYS 15 -5.618 5.621 0.964 132 HB2 LYS 15 HB2 LYS 15 -4.927 6.783 -1.039 133 HB3 LYS 15 HB1 LYS 15 -3.518 6.242 -0.147 134 HG2 LYS 15 HG2 LYS 15 -2.879 5.697 -2.257 135 HG3 LYS 15 HG1 LYS 15 -3.695 4.197 -1.808 136 HD2 LYS 15 HD2 LYS 15 -5.752 5.033 -2.884 137 HD3 LYS 15 HD1 LYS 15 -4.883 6.487 -3.376 138 HE2 LYS 15 HE2 LYS 15 -4.856 5.099 -5.263 139 HE3 LYS 15 HE1 LYS 15 -3.254 4.927 -4.552 140 HZ1 LYS 15 HZ1 LYS 15 -5.516 3.027 -4.275 141 HZ2 LYS 15 HZ2 LYS 15 -4.022 2.865 -3.497 142 HZ3 LYS 15 HZ3 LYS 15 -4.111 2.790 -5.183 143 H VAL 16 HN VAL 16 -5.566 2.832 -0.950 144 HA VAL 16 HA VAL 16 -7.905 3.316 -2.478 145 HB VAL 16 HB VAL 16 -6.377 1.683 -3.308 146 HG11 VAL 16 HG11 VAL 16 -6.762 0.117 -0.762 147 HG12 VAL 16 HG12 VAL 16 -5.366 1.140 -1.097 148 HG13 VAL 16 HG13 VAL 16 -5.686 -0.280 -2.102 149 HG21 VAL 16 HG21 VAL 16 -8.713 1.164 -3.735 150 HG22 VAL 16 HG22 VAL 16 -8.819 0.287 -2.208 151 HG23 VAL 16 HG23 VAL 16 -7.793 -0.324 -3.509 152 HA PRO 17 HA PRO 17 -10.686 2.559 0.971 153 HB2 PRO 17 HB2 PRO 17 -12.954 2.985 -0.502 154 HB3 PRO 17 HB1 PRO 17 -12.011 4.280 0.243 155 HG2 PRO 17 HG2 PRO 17 -12.037 3.338 -2.587 156 HG3 PRO 17 HG1 PRO 17 -11.904 4.988 -1.953 157 HD2 PRO 17 HD2 PRO 17 -9.769 3.571 -2.872 158 HD3 PRO 17 HD1 PRO 17 -9.635 4.799 -1.603 159 H ILE 18 HN ILE 18 -10.985 0.523 1.510 160 HA ILE 18 HA ILE 18 -11.363 -1.532 -0.476 161 HB ILE 18 HB ILE 18 -11.402 -3.089 1.490 162 HG12 ILE 18 HG12 ILE 18 -10.760 -0.565 3.034 163 HG13 ILE 18 HG11 ILE 18 -12.262 -1.475 3.155 164 HG21 ILE 18 HG21 ILE 18 -9.014 -2.832 1.976 165 HG22 ILE 18 HG22 ILE 18 -9.052 -1.214 1.272 166 HG23 ILE 18 HG23 ILE 18 -9.359 -2.624 0.259 167 HD11 ILE 18 HD11 ILE 18 -10.766 -1.939 5.016 168 HD12 ILE 18 HD12 ILE 18 -9.528 -2.495 3.890 169 HD13 ILE 18 HD13 ILE 18 -11.044 -3.381 4.042 170 H LYS 19 HN LYS 19 -13.417 0.275 -0.485 171 HA LYS 19 HA LYS 19 -15.701 -1.098 0.736 172 HB2 LYS 19 HB2 LYS 19 -15.534 1.572 -0.674 173 HB3 LYS 19 HB1 LYS 19 -16.975 0.908 0.080 174 HG2 LYS 19 HG2 LYS 19 -15.896 0.992 2.257 175 HG3 LYS 19 HG1 LYS 19 -14.418 1.598 1.512 176 HD2 LYS 19 HD2 LYS 19 -15.614 3.448 2.473 177 HD3 LYS 19 HD1 LYS 19 -15.695 3.576 0.716 178 HE2 LYS 19 HE2 LYS 19 -17.944 2.607 0.752 179 HE3 LYS 19 HE1 LYS 19 -17.859 2.475 2.508 180 HZ1 LYS 19 HZ1 LYS 19 -19.082 4.429 1.887 181 HZ2 LYS 19 HZ2 LYS 19 -17.810 4.985 0.926 182 HZ3 LYS 19 HZ3 LYS 19 -17.626 4.904 2.605 183 H ARG 20 HN ARG 20 -13.956 -0.910 -2.084 184 HA ARG 20 HA ARG 20 -16.033 -1.492 -3.960 185 HB2 ARG 20 HB2 ARG 20 -14.170 -2.111 -5.470 186 HB3 ARG 20 HB1 ARG 20 -13.937 -0.530 -4.742 187 HG2 ARG 20 HG2 ARG 20 -12.350 -1.451 -3.164 188 HG3 ARG 20 HG1 ARG 20 -12.633 -3.074 -3.794 189 HD2 ARG 20 HD2 ARG 20 -10.569 -2.126 -4.687 190 HD3 ARG 20 HD1 ARG 20 -11.752 -2.401 -5.963 191 HE ARG 20 HE ARG 20 -12.169 0.188 -5.291 192 HH11 ARG 20 HH11 ARG 20 -9.302 -1.624 -6.181 193 HH12 ARG 20 HH12 ARG 20 -8.504 -0.258 -6.886 194 HH21 ARG 20 HH21 ARG 20 -11.126 1.982 -6.230 195 HH22 ARG 20 HH22 ARG 20 -9.548 1.798 -6.921 196 HA PRO 21 HA PRO 21 -16.484 -5.794 -2.989 197 HB2 PRO 21 HB2 PRO 21 -17.572 -6.694 -5.290 198 HB3 PRO 21 HB1 PRO 21 -18.461 -5.657 -4.168 199 HG2 PRO 21 HG2 PRO 21 -17.053 -4.933 -6.707 200 HG3 PRO 21 HG1 PRO 21 -18.625 -4.382 -6.103 201 HD2 PRO 21 HD2 PRO 21 -16.336 -2.914 -5.896 202 HD3 PRO 21 HD1 PRO 21 -17.686 -2.788 -4.751 203 H SER 22 HN SER 22 -13.870 -5.221 -3.535 204 HA SER 22 HA SER 22 -12.970 -7.643 -4.821 205 HB2 SER 22 HB2 SER 22 -13.181 -5.880 -6.648 206 HB3 SER 22 HB1 SER 22 -11.907 -4.992 -5.818 207 HG SER 22 HG SER 22 -11.760 -7.569 -6.993 Start of MODEL 7 1 H1 LEU 1 HT1 LEU 1 11.065 -8.811 0.534 2 H2 LEU 1 HT2 LEU 1 10.491 -9.796 1.775 3 H3 LEU 1 HT3 LEU 1 12.145 -9.477 1.652 4 HA LEU 1 HA LEU 1 10.011 -7.531 2.297 5 HB2 LEU 1 HB2 LEU 1 12.258 -8.719 3.925 6 HB3 LEU 1 HB1 LEU 1 11.388 -7.284 4.411 7 HG LEU 1 HG LEU 1 9.281 -8.723 4.354 8 HD11 LEU 1 HD11 LEU 1 9.709 -11.144 4.765 9 HD12 LEU 1 HD12 LEU 1 11.371 -10.888 4.230 10 HD13 LEU 1 HD13 LEU 1 10.031 -10.619 3.115 11 HD21 LEU 1 HD21 LEU 1 10.347 -7.962 6.404 12 HD22 LEU 1 HD22 LEU 1 11.441 -9.344 6.356 13 HD23 LEU 1 HD23 LEU 1 9.712 -9.597 6.588 14 H ARG 2 HN ARG 2 10.438 -5.680 1.291 15 HA ARG 2 HA ARG 2 13.240 -4.752 1.216 16 HB2 ARG 2 HB2 ARG 2 11.912 -5.359 -1.002 17 HB3 ARG 2 HB1 ARG 2 11.217 -3.766 -0.747 18 HG2 ARG 2 HG2 ARG 2 13.010 -3.466 -2.232 19 HG3 ARG 2 HG1 ARG 2 13.574 -2.880 -0.670 20 HD2 ARG 2 HD2 ARG 2 14.132 -5.647 -1.706 21 HD3 ARG 2 HD1 ARG 2 15.212 -4.283 -1.965 22 HE ARG 2 HE ARG 2 15.031 -4.223 0.664 23 HH11 ARG 2 HH11 ARG 2 15.347 -7.005 -1.437 24 HH12 ARG 2 HH12 ARG 2 16.254 -7.932 -0.287 25 HH21 ARG 2 HH21 ARG 2 16.222 -5.431 2.181 26 HH22 ARG 2 HH22 ARG 2 16.758 -7.031 1.774 27 H LEU 3 HN LEU 3 13.176 -2.184 0.886 28 HA LEU 3 HA LEU 3 11.525 -1.174 3.029 29 HB2 LEU 3 HB2 LEU 3 13.799 -0.412 2.960 30 HB3 LEU 3 HB1 LEU 3 13.615 0.137 1.307 31 HG LEU 3 HG LEU 3 12.086 1.896 2.028 32 HD11 LEU 3 HD11 LEU 3 11.068 0.756 3.922 33 HD12 LEU 3 HD12 LEU 3 11.703 2.334 4.393 34 HD13 LEU 3 HD13 LEU 3 12.586 0.867 4.814 35 HD21 LEU 3 HD21 LEU 3 14.642 1.832 3.625 36 HD22 LEU 3 HD22 LEU 3 13.685 3.268 3.263 37 HD23 LEU 3 HD23 LEU 3 14.469 2.379 1.958 38 H ILE 4 HN ILE 4 12.150 0.032 -0.239 39 HA ILE 4 HA ILE 4 10.013 1.835 -0.232 40 HB ILE 4 HB ILE 4 11.592 0.645 -2.486 41 HG12 ILE 4 HG12 ILE 4 12.825 2.055 -0.899 42 HG13 ILE 4 HG11 ILE 4 12.702 2.828 -2.474 43 HG21 ILE 4 HG21 ILE 4 10.709 2.456 -3.900 44 HG22 ILE 4 HG22 ILE 4 9.586 2.888 -2.610 45 HG23 ILE 4 HG23 ILE 4 9.461 1.316 -3.401 46 HD11 ILE 4 HD11 ILE 4 12.361 4.462 -0.758 47 HD12 ILE 4 HD12 ILE 4 11.101 3.479 -0.015 48 HD13 ILE 4 HD13 ILE 4 10.834 4.198 -1.603 49 H HIS 5 HN HIS 5 10.139 -1.535 -1.108 50 HA HIS 5 HA HIS 5 7.624 -1.488 -2.513 51 HB2 HIS 5 HB2 HIS 5 9.227 -3.860 -1.531 52 HB3 HIS 5 HB1 HIS 5 7.870 -3.926 -2.653 53 HD1 HIS 5 HD1 HIS 5 8.499 -3.859 -5.072 54 HD2 HIS 5 HD2 HIS 5 11.426 -2.222 -2.622 55 HE1 HIS 5 HE1 HIS 5 10.389 -3.229 -6.605 56 HE2 HIS 5 HE2 HIS 5 12.058 -2.064 -5.128 57 H ALA 6 HN ALA 6 8.658 -1.723 0.699 58 HA ALA 6 HA ALA 6 6.211 -2.888 1.715 59 HB1 ALA 6 HB1 ALA 6 8.396 -3.273 2.824 60 HB2 ALA 6 HB2 ALA 6 7.216 -2.521 3.898 61 HB3 ALA 6 HB3 ALA 6 8.496 -1.546 3.170 62 H VAL 7 HN VAL 7 7.888 0.162 1.488 63 HA VAL 7 HA VAL 7 6.071 1.844 2.730 64 HB VAL 7 HB VAL 7 8.056 2.285 0.516 65 HG11 VAL 7 HG11 VAL 7 7.725 4.735 0.905 66 HG12 VAL 7 HG12 VAL 7 6.249 4.336 1.784 67 HG13 VAL 7 HG13 VAL 7 6.392 3.933 0.068 68 HG21 VAL 7 HG21 VAL 7 9.235 3.525 2.287 69 HG22 VAL 7 HG22 VAL 7 8.966 1.830 2.694 70 HG23 VAL 7 HG23 VAL 7 7.952 3.079 3.414 71 H ARG 8 HN ARG 8 6.403 1.139 -0.740 72 HA ARG 8 HA ARG 8 4.098 2.636 -1.429 73 HB2 ARG 8 HB2 ARG 8 5.688 0.590 -2.963 74 HB3 ARG 8 HB1 ARG 8 4.387 1.548 -3.663 75 HG2 ARG 8 HG2 ARG 8 5.625 3.597 -3.078 76 HG3 ARG 8 HG1 ARG 8 6.946 2.597 -2.468 77 HD2 ARG 8 HD2 ARG 8 7.184 1.594 -4.705 78 HD3 ARG 8 HD1 ARG 8 5.897 2.643 -5.301 79 HE ARG 8 HE ARG 8 7.841 4.261 -4.129 80 HH11 ARG 8 HH11 ARG 8 7.484 2.150 -6.896 81 HH12 ARG 8 HH12 ARG 8 8.695 2.963 -7.833 82 HH21 ARG 8 HH21 ARG 8 9.439 5.334 -5.353 83 HH22 ARG 8 HH22 ARG 8 9.805 4.779 -6.956 84 H GLY 9 HN GLY 9 4.620 -0.710 -0.576 85 HA2 GLY 9 HA2 GLY 9 1.947 -1.507 -1.297 86 HA3 GLY 9 HA1 GLY 9 3.083 -2.439 -0.321 87 H TYR 10 HN TYR 10 3.282 0.306 1.178 88 HA TYR 10 HA TYR 10 1.211 -0.248 3.103 89 HB2 TYR 10 HB2 TYR 10 3.064 0.402 4.290 90 HB3 TYR 10 HB1 TYR 10 3.666 1.409 2.986 91 HD1 TYR 10 HD1 TYR 10 0.912 1.366 5.533 92 HD2 TYR 10 HD2 TYR 10 3.634 3.672 3.223 93 HE1 TYR 10 HE1 TYR 10 0.176 3.402 6.706 94 HE2 TYR 10 HE2 TYR 10 2.911 5.705 4.380 95 HH TYR 10 HH TYR 10 1.006 6.541 5.613 96 H TRP 11 HN TRP 11 2.167 2.662 1.196 97 HA TRP 11 HA TRP 11 -0.318 3.862 1.992 98 HB2 TRP 11 HB2 TRP 11 0.418 5.883 0.835 99 HB3 TRP 11 HB1 TRP 11 1.615 5.290 1.971 100 HD1 TRP 11 HD1 TRP 11 3.828 4.080 0.820 101 HE1 TRP 11 HE1 TRP 11 5.019 4.669 -1.385 102 HE3 TRP 11 HE3 TRP 11 0.080 6.693 -1.448 103 HZ2 TRP 11 HZ2 TRP 11 4.444 6.062 -3.768 104 HZ3 TRP 11 HZ3 TRP 11 0.481 7.635 -3.687 105 HH2 TRP 11 HH2 TRP 11 2.620 7.324 -4.823 106 H LEU 12 HN LEU 12 0.907 2.493 -1.054 107 HA LEU 12 HA LEU 12 -1.149 3.627 -2.664 108 HB2 LEU 12 HB2 LEU 12 0.607 1.210 -3.062 109 HB3 LEU 12 HB1 LEU 12 -0.547 1.760 -4.263 110 HG LEU 12 HG LEU 12 1.757 3.402 -3.219 111 HD11 LEU 12 HD11 LEU 12 2.746 3.018 -5.436 112 HD12 LEU 12 HD12 LEU 12 1.434 1.904 -5.815 113 HD13 LEU 12 HD13 LEU 12 2.567 1.522 -4.523 114 HD21 LEU 12 HD21 LEU 12 -0.101 4.760 -3.932 115 HD22 LEU 12 HD22 LEU 12 -0.218 3.861 -5.446 116 HD23 LEU 12 HD23 LEU 12 1.198 4.861 -5.120 117 H THR 13 HN THR 13 -0.898 0.878 -0.653 118 HA THR 13 HA THR 13 -3.278 -0.392 -1.649 119 HB THR 13 HB THR 13 -1.001 -1.088 -0.007 120 HG1 THR 13 HG1 THR 13 -2.730 -2.221 -1.832 121 HG21 THR 13 HG21 THR 13 -2.528 -1.081 1.859 122 HG22 THR 13 HG22 THR 13 -2.110 -2.741 1.429 123 HG23 THR 13 HG23 THR 13 -3.677 -2.078 0.964 124 H ASN 14 HN ASN 14 -2.532 1.999 0.685 125 HA ASN 14 HA ASN 14 -5.067 1.526 2.079 126 HB2 ASN 14 HB2 ASN 14 -2.557 2.902 2.858 127 HB3 ASN 14 HB1 ASN 14 -4.071 3.429 3.580 128 HD21 ASN 14 HD21 ASN 14 -1.716 0.899 3.391 129 HD22 ASN 14 HD22 ASN 14 -2.357 -0.076 4.675 130 H LYS 15 HN LYS 15 -3.329 4.060 0.294 131 HA LYS 15 HA LYS 15 -5.231 6.100 0.779 132 HB2 LYS 15 HB2 LYS 15 -4.142 7.325 -1.046 133 HB3 LYS 15 HB1 LYS 15 -2.982 6.663 0.090 134 HG2 LYS 15 HG2 LYS 15 -1.986 6.237 -1.938 135 HG3 LYS 15 HG1 LYS 15 -2.801 4.713 -1.598 136 HD2 LYS 15 HD2 LYS 15 -3.261 5.183 -3.858 137 HD3 LYS 15 HD1 LYS 15 -4.730 5.605 -2.971 138 HE2 LYS 15 HE2 LYS 15 -4.145 7.945 -3.037 139 HE3 LYS 15 HE1 LYS 15 -2.598 7.571 -3.794 140 HZ1 LYS 15 HZ1 LYS 15 -5.271 7.084 -4.991 141 HZ2 LYS 15 HZ2 LYS 15 -3.791 6.726 -5.719 142 HZ3 LYS 15 HZ3 LYS 15 -4.214 8.334 -5.414 143 H VAL 16 HN VAL 16 -5.115 3.517 -1.424 144 HA VAL 16 HA VAL 16 -6.963 4.300 -3.338 145 HB VAL 16 HB VAL 16 -5.702 2.294 -3.669 146 HG11 VAL 16 HG11 VAL 16 -7.110 1.116 -1.278 147 HG12 VAL 16 HG12 VAL 16 -5.446 1.704 -1.281 148 HG13 VAL 16 HG13 VAL 16 -5.901 0.323 -2.287 149 HG21 VAL 16 HG21 VAL 16 -7.496 0.643 -4.157 150 HG22 VAL 16 HG22 VAL 16 -7.843 2.266 -4.752 151 HG23 VAL 16 HG23 VAL 16 -8.626 1.680 -3.284 152 HA PRO 17 HA PRO 17 -10.580 4.518 -0.658 153 HB2 PRO 17 HB2 PRO 17 -12.249 5.390 -2.638 154 HB3 PRO 17 HB1 PRO 17 -11.191 6.459 -1.713 155 HG2 PRO 17 HG2 PRO 17 -10.811 5.317 -4.443 156 HG3 PRO 17 HG1 PRO 17 -10.421 6.936 -3.840 157 HD2 PRO 17 HD2 PRO 17 -8.552 4.997 -4.171 158 HD3 PRO 17 HD1 PRO 17 -8.426 6.246 -2.923 159 H ILE 18 HN ILE 18 -11.445 2.647 -0.187 160 HA ILE 18 HA ILE 18 -12.806 1.083 -2.249 161 HB ILE 18 HB ILE 18 -11.840 -1.005 -1.033 162 HG12 ILE 18 HG12 ILE 18 -9.716 1.063 -0.427 163 HG13 ILE 18 HG11 ILE 18 -10.713 0.231 0.760 164 HG21 ILE 18 HG21 ILE 18 -9.899 -1.032 -2.592 165 HG22 ILE 18 HG22 ILE 18 -10.251 0.652 -2.976 166 HG23 ILE 18 HG23 ILE 18 -11.432 -0.599 -3.349 167 HD11 ILE 18 HD11 ILE 18 -8.476 -0.702 0.648 168 HD12 ILE 18 HD12 ILE 18 -8.699 -1.056 -1.064 169 HD13 ILE 18 HD13 ILE 18 -9.683 -1.884 0.143 170 H LYS 19 HN LYS 19 -13.939 2.732 -0.384 171 HA LYS 19 HA LYS 19 -14.897 0.996 1.772 172 HB2 LYS 19 HB2 LYS 19 -15.367 3.950 1.326 173 HB3 LYS 19 HB1 LYS 19 -15.825 3.030 2.751 174 HG2 LYS 19 HG2 LYS 19 -13.431 2.552 3.158 175 HG3 LYS 19 HG1 LYS 19 -13.027 3.593 1.795 176 HD2 LYS 19 HD2 LYS 19 -12.780 4.856 3.819 177 HD3 LYS 19 HD1 LYS 19 -14.192 5.462 2.952 178 HE2 LYS 19 HE2 LYS 19 -14.653 5.266 5.335 179 HE3 LYS 19 HE1 LYS 19 -15.652 4.151 4.409 180 HZ1 LYS 19 HZ1 LYS 19 -14.727 3.119 6.396 181 HZ2 LYS 19 HZ2 LYS 19 -13.159 3.418 5.847 182 HZ3 LYS 19 HZ3 LYS 19 -14.161 2.356 4.999 183 H ARG 20 HN ARG 20 -15.735 2.192 -1.269 184 HA ARG 20 HA ARG 20 -18.498 2.329 -1.189 185 HB2 ARG 20 HB2 ARG 20 -18.330 1.653 -3.654 186 HB3 ARG 20 HB1 ARG 20 -17.507 3.115 -3.153 187 HG2 ARG 20 HG2 ARG 20 -16.055 1.990 -4.633 188 HG3 ARG 20 HG1 ARG 20 -15.392 1.744 -3.021 189 HD2 ARG 20 HD2 ARG 20 -16.558 -0.464 -2.973 190 HD3 ARG 20 HD1 ARG 20 -16.988 -0.208 -4.661 191 HE ARG 20 HE ARG 20 -14.535 -0.134 -5.092 192 HH11 ARG 20 HH11 ARG 20 -15.763 -1.755 -2.230 193 HH12 ARG 20 HH12 ARG 20 -14.452 -2.887 -2.154 194 HH21 ARG 20 HH21 ARG 20 -12.810 -1.630 -4.994 195 HH22 ARG 20 HH22 ARG 20 -12.775 -2.823 -3.737 196 HA PRO 21 HA PRO 21 -19.643 -1.888 -0.583 197 HB2 PRO 21 HB2 PRO 21 -22.283 -1.653 -0.827 198 HB3 PRO 21 HB1 PRO 21 -21.419 -0.828 0.475 199 HG2 PRO 21 HG2 PRO 21 -22.500 0.276 -2.077 200 HG3 PRO 21 HG1 PRO 21 -22.459 1.012 -0.466 201 HD2 PRO 21 HD2 PRO 21 -20.649 1.501 -2.546 202 HD3 PRO 21 HD1 PRO 21 -20.409 1.913 -0.839 203 H SER 22 HN SER 22 -18.722 -1.306 -3.281 204 HA SER 22 HA SER 22 -20.623 -2.309 -5.158 205 HB2 SER 22 HB2 SER 22 -17.623 -2.065 -5.470 206 HB3 SER 22 HB1 SER 22 -18.818 -2.181 -6.763 207 HG SER 22 HG SER 22 -18.774 -0.081 -6.666 Start of MODEL 8 1 H1 LEU 1 HT1 LEU 1 10.331 -8.121 0.111 2 H2 LEU 1 HT2 LEU 1 9.528 -7.160 1.244 3 H3 LEU 1 HT3 LEU 1 9.506 -8.842 1.396 4 HA LEU 1 HA LEU 1 11.012 -7.777 2.956 5 HB2 LEU 1 HB2 LEU 1 12.957 -9.209 2.517 6 HB3 LEU 1 HB1 LEU 1 11.447 -10.069 2.327 7 HG LEU 1 HG LEU 1 12.864 -8.959 -0.077 8 HD11 LEU 1 HD11 LEU 1 14.018 -11.094 -0.326 9 HD12 LEU 1 HD12 LEU 1 13.396 -11.619 1.238 10 HD13 LEU 1 HD13 LEU 1 14.523 -10.266 1.147 11 HD21 LEU 1 HD21 LEU 1 11.066 -11.348 0.333 12 HD22 LEU 1 HD22 LEU 1 11.735 -10.801 -1.204 13 HD23 LEU 1 HD23 LEU 1 10.572 -9.796 -0.342 14 H ARG 2 HN ARG 2 10.842 -5.482 2.072 15 HA ARG 2 HA ARG 2 13.489 -4.503 1.735 16 HB2 ARG 2 HB2 ARG 2 12.605 -5.207 -0.653 17 HB3 ARG 2 HB1 ARG 2 11.693 -3.708 -0.527 18 HG2 ARG 2 HG2 ARG 2 13.727 -3.304 -1.731 19 HG3 ARG 2 HG1 ARG 2 13.804 -2.489 -0.172 20 HD2 ARG 2 HD2 ARG 2 15.134 -4.372 0.711 21 HD3 ARG 2 HD1 ARG 2 15.104 -5.111 -0.889 22 HE ARG 2 HE ARG 2 16.097 -2.554 -1.225 23 HH11 ARG 2 HH11 ARG 2 17.018 -5.464 0.480 24 HH12 ARG 2 HH12 ARG 2 18.714 -5.115 0.415 25 HH21 ARG 2 HH21 ARG 2 18.325 -2.090 -1.310 26 HH22 ARG 2 HH22 ARG 2 19.461 -3.196 -0.606 27 H LEU 3 HN LEU 3 13.273 -1.949 1.336 28 HA LEU 3 HA LEU 3 11.347 -1.090 3.292 29 HB2 LEU 3 HB2 LEU 3 13.566 -0.181 3.446 30 HB3 LEU 3 HB1 LEU 3 13.485 0.407 1.797 31 HG LEU 3 HG LEU 3 11.803 2.045 2.414 32 HD11 LEU 3 HD11 LEU 3 11.122 2.351 4.735 33 HD12 LEU 3 HD12 LEU 3 12.043 0.920 5.201 34 HD13 LEU 3 HD13 LEU 3 10.648 0.761 4.130 35 HD21 LEU 3 HD21 LEU 3 14.147 2.667 2.651 36 HD22 LEU 3 HD22 LEU 3 14.152 2.058 4.305 37 HD23 LEU 3 HD23 LEU 3 13.160 3.452 3.883 38 H ILE 4 HN ILE 4 12.175 0.234 0.112 39 HA ILE 4 HA ILE 4 9.922 1.870 -0.065 40 HB ILE 4 HB ILE 4 11.788 0.821 -2.157 41 HG12 ILE 4 HG12 ILE 4 12.716 2.351 -0.483 42 HG13 ILE 4 HG11 ILE 4 12.680 3.101 -2.074 43 HG21 ILE 4 HG21 ILE 4 9.587 2.843 -2.524 44 HG22 ILE 4 HG22 ILE 4 9.710 1.258 -3.295 45 HG23 ILE 4 HG23 ILE 4 10.875 2.522 -3.685 46 HD11 ILE 4 HD11 ILE 4 10.788 3.608 0.205 47 HD12 ILE 4 HD12 ILE 4 10.619 4.294 -1.409 48 HD13 ILE 4 HD13 ILE 4 12.022 4.701 -0.421 49 H HIS 5 HN HIS 5 10.385 -1.451 -1.031 50 HA HIS 5 HA HIS 5 8.020 -1.586 -2.643 51 HB2 HIS 5 HB2 HIS 5 9.654 -3.837 -1.445 52 HB3 HIS 5 HB1 HIS 5 8.441 -4.003 -2.711 53 HD1 HIS 5 HD1 HIS 5 9.308 -3.873 -5.053 54 HD2 HIS 5 HD2 HIS 5 11.895 -2.139 -2.302 55 HE1 HIS 5 HE1 HIS 5 11.324 -3.162 -6.376 56 HE2 HIS 5 HE2 HIS 5 12.946 -2.269 -4.667 57 H ALA 6 HN ALA 6 8.719 -1.732 0.669 58 HA ALA 6 HA ALA 6 6.197 -2.982 1.401 59 HB1 ALA 6 HB1 ALA 6 8.362 -1.741 3.105 60 HB2 ALA 6 HB2 ALA 6 8.226 -3.457 2.712 61 HB3 ALA 6 HB3 ALA 6 6.983 -2.676 3.694 62 H VAL 7 HN VAL 7 7.848 0.087 1.362 63 HA VAL 7 HA VAL 7 5.984 1.727 2.604 64 HB VAL 7 HB VAL 7 8.023 2.227 0.451 65 HG11 VAL 7 HG11 VAL 7 7.661 4.670 0.852 66 HG12 VAL 7 HG12 VAL 7 6.161 4.252 1.681 67 HG13 VAL 7 HG13 VAL 7 6.363 3.864 -0.033 68 HG21 VAL 7 HG21 VAL 7 9.146 3.456 2.265 69 HG22 VAL 7 HG22 VAL 7 8.878 1.756 2.650 70 HG23 VAL 7 HG23 VAL 7 7.838 2.993 3.357 71 H ARG 8 HN ARG 8 6.404 1.116 -0.875 72 HA ARG 8 HA ARG 8 4.126 2.619 -1.608 73 HB2 ARG 8 HB2 ARG 8 5.695 0.519 -3.099 74 HB3 ARG 8 HB1 ARG 8 4.455 1.533 -3.833 75 HG2 ARG 8 HG2 ARG 8 5.747 3.529 -3.251 76 HG3 ARG 8 HG1 ARG 8 6.986 2.509 -2.523 77 HD2 ARG 8 HD2 ARG 8 7.600 3.236 -4.786 78 HD3 ARG 8 HD1 ARG 8 7.452 1.485 -4.671 79 HE ARG 8 HE ARG 8 5.124 1.902 -5.646 80 HH11 ARG 8 HH11 ARG 8 7.935 3.867 -6.386 81 HH12 ARG 8 HH12 ARG 8 7.363 4.304 -7.963 82 HH21 ARG 8 HH21 ARG 8 4.383 2.463 -7.724 83 HH22 ARG 8 HH22 ARG 8 5.345 3.506 -8.728 84 H GLY 9 HN GLY 9 4.634 -0.767 -0.861 85 HA2 GLY 9 HA2 GLY 9 1.945 -1.541 -1.513 86 HA3 GLY 9 HA1 GLY 9 3.112 -2.491 -0.596 87 H TYR 10 HN TYR 10 3.189 0.359 0.897 88 HA TYR 10 HA TYR 10 1.145 -0.350 2.828 89 HB2 TYR 10 HB2 TYR 10 3.045 0.191 4.007 90 HB3 TYR 10 HB1 TYR 10 3.581 1.357 2.811 91 HD1 TYR 10 HD1 TYR 10 0.711 0.980 5.205 92 HD2 TYR 10 HD2 TYR 10 3.654 3.504 3.468 93 HE1 TYR 10 HE1 TYR 10 -0.044 2.835 6.639 94 HE2 TYR 10 HE2 TYR 10 2.912 5.368 4.887 95 HH TYR 10 HH TYR 10 0.919 6.066 6.123 96 H TRP 11 HN TRP 11 2.129 2.646 1.072 97 HA TRP 11 HA TRP 11 -0.306 3.863 1.986 98 HB2 TRP 11 HB2 TRP 11 0.482 5.918 0.930 99 HB3 TRP 11 HB1 TRP 11 1.684 5.220 2.000 100 HD1 TRP 11 HD1 TRP 11 3.898 4.185 0.804 101 HE1 TRP 11 HE1 TRP 11 5.012 4.779 -1.444 102 HE3 TRP 11 HE3 TRP 11 -0.011 6.595 -1.404 103 HZ2 TRP 11 HZ2 TRP 11 4.311 6.105 -3.835 104 HZ3 TRP 11 HZ3 TRP 11 0.285 7.511 -3.669 105 HH2 TRP 11 HH2 TRP 11 2.404 7.270 -4.862 106 H LEU 12 HN LEU 12 0.625 2.282 -0.954 107 HA LEU 12 HA LEU 12 -1.408 3.563 -2.552 108 HB2 LEU 12 HB2 LEU 12 0.183 1.030 -2.997 109 HB3 LEU 12 HB1 LEU 12 -0.909 1.738 -4.174 110 HG LEU 12 HG LEU 12 1.541 3.127 -3.089 111 HD11 LEU 12 HD11 LEU 12 1.134 1.694 -5.715 112 HD12 LEU 12 HD12 LEU 12 2.168 1.157 -4.390 113 HD13 LEU 12 HD13 LEU 12 2.551 2.641 -5.263 114 HD21 LEU 12 HD21 LEU 12 -0.327 3.767 -5.362 115 HD22 LEU 12 HD22 LEU 12 1.162 4.635 -4.986 116 HD23 LEU 12 HD23 LEU 12 -0.177 4.643 -3.839 117 H THR 13 HN THR 13 -0.913 0.703 -0.714 118 HA THR 13 HA THR 13 -3.353 -0.596 -1.188 119 HB THR 13 HB THR 13 -1.433 -0.806 1.130 120 HG1 THR 13 HG1 THR 13 -0.183 -2.059 -0.174 121 HG21 THR 13 HG21 THR 13 -3.266 -2.792 -0.157 122 HG22 THR 13 HG22 THR 13 -3.463 -2.059 1.435 123 HG23 THR 13 HG23 THR 13 -2.107 -3.142 1.120 124 H ASN 14 HN ASN 14 -2.522 2.152 0.623 125 HA ASN 14 HA ASN 14 -4.812 1.844 2.418 126 HB2 ASN 14 HB2 ASN 14 -2.298 3.373 2.530 127 HB3 ASN 14 HB1 ASN 14 -3.716 4.172 3.194 128 HD21 ASN 14 HD21 ASN 14 -1.548 1.468 3.493 129 HD22 ASN 14 HD22 ASN 14 -2.028 1.009 5.095 130 H LYS 15 HN LYS 15 -3.435 4.211 0.119 131 HA LYS 15 HA LYS 15 -5.555 6.055 0.352 132 HB2 LYS 15 HB2 LYS 15 -4.689 7.083 -1.694 133 HB3 LYS 15 HB1 LYS 15 -3.418 6.746 -0.540 134 HG2 LYS 15 HG2 LYS 15 -2.517 6.198 -2.625 135 HG3 LYS 15 HG1 LYS 15 -2.946 4.654 -1.893 136 HD2 LYS 15 HD2 LYS 15 -4.897 4.465 -3.244 137 HD3 LYS 15 HD1 LYS 15 -4.733 6.123 -3.817 138 HE2 LYS 15 HE2 LYS 15 -2.624 4.048 -4.325 139 HE3 LYS 15 HE1 LYS 15 -4.011 4.248 -5.395 140 HZ1 LYS 15 HZ1 LYS 15 -3.365 6.495 -5.825 141 HZ2 LYS 15 HZ2 LYS 15 -2.034 5.496 -6.117 142 HZ3 LYS 15 HZ3 LYS 15 -2.105 6.419 -4.702 143 H VAL 16 HN VAL 16 -5.266 3.153 -1.360 144 HA VAL 16 HA VAL 16 -7.150 3.450 -3.372 145 HB VAL 16 HB VAL 16 -5.753 1.504 -3.349 146 HG11 VAL 16 HG11 VAL 16 -5.885 -0.228 -1.662 147 HG12 VAL 16 HG12 VAL 16 -7.145 0.663 -0.808 148 HG13 VAL 16 HG13 VAL 16 -5.508 1.322 -0.896 149 HG21 VAL 16 HG21 VAL 16 -7.941 1.233 -4.392 150 HG22 VAL 16 HG22 VAL 16 -8.622 0.705 -2.852 151 HG23 VAL 16 HG23 VAL 16 -7.402 -0.280 -3.664 152 HA PRO 17 HA PRO 17 -10.819 3.876 -0.812 153 HB2 PRO 17 HB2 PRO 17 -12.491 4.281 -2.936 154 HB3 PRO 17 HB1 PRO 17 -11.533 5.566 -2.194 155 HG2 PRO 17 HG2 PRO 17 -11.008 4.003 -4.684 156 HG3 PRO 17 HG1 PRO 17 -10.739 5.725 -4.363 157 HD2 PRO 17 HD2 PRO 17 -8.741 3.888 -4.327 158 HD3 PRO 17 HD1 PRO 17 -8.728 5.339 -3.314 159 H ILE 18 HN ILE 18 -11.627 2.042 -0.056 160 HA ILE 18 HA ILE 18 -12.081 -0.220 -1.823 161 HB ILE 18 HB ILE 18 -12.724 -1.447 0.239 162 HG12 ILE 18 HG12 ILE 18 -11.934 1.112 1.653 163 HG13 ILE 18 HG11 ILE 18 -13.577 0.496 1.519 164 HG21 ILE 18 HG21 ILE 18 -10.070 -0.016 0.354 165 HG22 ILE 18 HG22 ILE 18 -10.427 -1.482 -0.559 166 HG23 ILE 18 HG23 ILE 18 -10.468 -1.510 1.204 167 HD11 ILE 18 HD11 ILE 18 -12.941 -1.475 2.805 168 HD12 ILE 18 HD12 ILE 18 -12.614 0.011 3.697 169 HD13 ILE 18 HD13 ILE 18 -11.292 -0.865 2.926 170 H LYS 19 HN LYS 19 -13.614 1.949 -2.434 171 HA LYS 19 HA LYS 19 -16.270 1.549 -1.295 172 HB2 LYS 19 HB2 LYS 19 -15.236 3.585 -3.280 173 HB3 LYS 19 HB1 LYS 19 -16.856 3.564 -2.602 174 HG2 LYS 19 HG2 LYS 19 -16.030 4.034 -0.414 175 HG3 LYS 19 HG1 LYS 19 -14.360 3.821 -0.944 176 HD2 LYS 19 HD2 LYS 19 -14.930 6.189 -0.730 177 HD3 LYS 19 HD1 LYS 19 -14.564 5.767 -2.401 178 HE2 LYS 19 HE2 LYS 19 -16.978 5.604 -2.860 179 HE3 LYS 19 HE1 LYS 19 -17.312 6.095 -1.203 180 HZ1 LYS 19 HZ1 LYS 19 -15.923 7.710 -3.268 181 HZ2 LYS 19 HZ2 LYS 19 -16.154 8.187 -1.663 182 HZ3 LYS 19 HZ3 LYS 19 -17.487 7.965 -2.678 183 H ARG 20 HN ARG 20 -14.420 0.942 -4.143 184 HA ARG 20 HA ARG 20 -16.482 0.436 -5.978 185 HB2 ARG 20 HB2 ARG 20 -14.762 -0.868 -7.201 186 HB3 ARG 20 HB1 ARG 20 -14.197 0.719 -6.722 187 HG2 ARG 20 HG2 ARG 20 -13.041 -0.315 -4.822 188 HG3 ARG 20 HG1 ARG 20 -13.551 -1.899 -5.394 189 HD2 ARG 20 HD2 ARG 20 -11.845 0.060 -6.922 190 HD3 ARG 20 HD1 ARG 20 -11.251 -1.362 -6.072 191 HE ARG 20 HE ARG 20 -12.570 -2.714 -7.660 192 HH11 ARG 20 HH11 ARG 20 -11.856 0.616 -8.521 193 HH12 ARG 20 HH12 ARG 20 -11.891 0.313 -10.227 194 HH21 ARG 20 HH21 ARG 20 -12.625 -3.103 -9.910 195 HH22 ARG 20 HH22 ARG 20 -12.322 -1.799 -11.017 196 HA PRO 21 HA PRO 21 -17.939 -3.409 -4.298 197 HB2 PRO 21 HB2 PRO 21 -19.843 -3.927 -6.099 198 HB3 PRO 21 HB1 PRO 21 -19.994 -2.571 -4.976 199 HG2 PRO 21 HG2 PRO 21 -19.176 -2.566 -7.854 200 HG3 PRO 21 HG1 PRO 21 -20.227 -1.432 -6.987 201 HD2 PRO 21 HD2 PRO 21 -17.557 -0.991 -7.547 202 HD3 PRO 21 HD1 PRO 21 -18.460 -0.191 -6.248 203 H SER 22 HN SER 22 -15.612 -3.338 -6.169 204 HA SER 22 HA SER 22 -15.640 -6.129 -6.877 205 HB2 SER 22 HB2 SER 22 -15.237 -4.031 -9.029 206 HB3 SER 22 HB1 SER 22 -15.028 -5.769 -9.238 207 HG SER 22 HG SER 22 -17.439 -5.293 -8.165 Start of MODEL 9 1 H1 LEU 1 HT1 LEU 1 11.957 -8.097 3.793 2 H2 LEU 1 HT2 LEU 1 10.456 -8.733 3.340 3 H3 LEU 1 HT3 LEU 1 10.654 -7.063 3.498 4 HA LEU 1 HA LEU 1 12.035 -8.764 1.524 5 HB2 LEU 1 HB2 LEU 1 9.615 -8.546 1.091 6 HB3 LEU 1 HB1 LEU 1 9.774 -6.801 1.138 7 HG LEU 1 HG LEU 1 11.278 -6.915 -0.832 8 HD11 LEU 1 HD11 LEU 1 12.143 -9.148 -0.576 9 HD12 LEU 1 HD12 LEU 1 11.325 -9.013 -2.130 10 HD13 LEU 1 HD13 LEU 1 10.534 -9.834 -0.787 11 HD21 LEU 1 HD21 LEU 1 8.566 -8.180 -1.195 12 HD22 LEU 1 HD22 LEU 1 9.523 -7.412 -2.461 13 HD23 LEU 1 HD23 LEU 1 8.909 -6.452 -1.117 14 H ARG 2 HN ARG 2 10.969 -5.378 1.909 15 HA ARG 2 HA ARG 2 13.616 -4.324 2.007 16 HB2 ARG 2 HB2 ARG 2 13.127 -5.053 -0.489 17 HB3 ARG 2 HB1 ARG 2 12.177 -3.573 -0.505 18 HG2 ARG 2 HG2 ARG 2 14.273 -2.998 -1.387 19 HG3 ARG 2 HG1 ARG 2 14.260 -2.371 0.260 20 HD2 ARG 2 HD2 ARG 2 15.497 -5.002 -0.535 21 HD3 ARG 2 HD1 ARG 2 16.393 -3.491 -0.422 22 HE ARG 2 HE ARG 2 15.425 -3.583 2.016 23 HH11 ARG 2 HH11 ARG 2 16.745 -6.192 0.088 24 HH12 ARG 2 HH12 ARG 2 17.266 -7.112 1.461 25 HH21 ARG 2 HH21 ARG 2 16.117 -4.800 3.831 26 HH22 ARG 2 HH22 ARG 2 16.901 -6.327 3.589 27 H LEU 3 HN LEU 3 13.434 -1.793 1.654 28 HA LEU 3 HA LEU 3 11.314 -0.960 3.358 29 HB2 LEU 3 HB2 LEU 3 13.457 0.078 3.603 30 HB3 LEU 3 HB1 LEU 3 13.455 0.589 1.926 31 HG LEU 3 HG LEU 3 11.636 2.152 2.377 32 HD11 LEU 3 HD11 LEU 3 11.841 1.193 5.226 33 HD12 LEU 3 HD12 LEU 3 10.493 0.900 4.123 34 HD13 LEU 3 HD13 LEU 3 10.859 2.544 4.656 35 HD21 LEU 3 HD21 LEU 3 13.937 2.915 2.655 36 HD22 LEU 3 HD22 LEU 3 13.905 2.414 4.346 37 HD23 LEU 3 HD23 LEU 3 12.855 3.720 3.793 38 H ILE 4 HN ILE 4 12.225 0.355 0.200 39 HA ILE 4 HA ILE 4 9.935 1.885 -0.142 40 HB ILE 4 HB ILE 4 11.930 0.799 -2.091 41 HG12 ILE 4 HG12 ILE 4 12.586 2.558 -0.471 42 HG13 ILE 4 HG11 ILE 4 12.699 3.092 -2.144 43 HG21 ILE 4 HG21 ILE 4 9.866 0.995 -3.343 44 HG22 ILE 4 HG22 ILE 4 10.986 2.276 -3.809 45 HG23 ILE 4 HG23 ILE 4 9.630 2.636 -2.737 46 HD11 ILE 4 HD11 ILE 4 10.525 3.772 -0.179 47 HD12 ILE 4 HD12 ILE 4 10.531 4.243 -1.878 48 HD13 ILE 4 HD13 ILE 4 11.780 4.848 -0.791 49 H HIS 5 HN HIS 5 10.516 -1.457 -0.982 50 HA HIS 5 HA HIS 5 8.219 -1.751 -2.649 51 HB2 HIS 5 HB2 HIS 5 9.825 -3.880 -1.213 52 HB3 HIS 5 HB1 HIS 5 8.679 -4.158 -2.521 53 HD1 HIS 5 HD1 HIS 5 9.638 -4.153 -4.826 54 HD2 HIS 5 HD2 HIS 5 12.098 -2.239 -2.077 55 HE1 HIS 5 HE1 HIS 5 11.728 -3.553 -6.086 56 HE2 HIS 5 HE2 HIS 5 13.129 -2.257 -4.451 57 H ALA 6 HN ALA 6 8.786 -1.766 0.725 58 HA ALA 6 HA ALA 6 6.249 -3.033 1.370 59 HB1 ALA 6 HB1 ALA 6 8.264 -3.466 2.737 60 HB2 ALA 6 HB2 ALA 6 6.950 -2.763 3.678 61 HB3 ALA 6 HB3 ALA 6 8.311 -1.756 3.171 62 H VAL 7 HN VAL 7 7.858 0.049 1.369 63 HA VAL 7 HA VAL 7 5.993 1.693 2.579 64 HB VAL 7 HB VAL 7 8.016 2.158 0.409 65 HG11 VAL 7 HG11 VAL 7 6.144 4.194 1.597 66 HG12 VAL 7 HG12 VAL 7 6.372 3.788 -0.113 67 HG13 VAL 7 HG13 VAL 7 7.653 4.611 0.784 68 HG21 VAL 7 HG21 VAL 7 9.151 3.412 2.183 69 HG22 VAL 7 HG22 VAL 7 8.861 1.727 2.625 70 HG23 VAL 7 HG23 VAL 7 7.837 3.003 3.289 71 H ARG 8 HN ARG 8 6.372 1.002 -0.879 72 HA ARG 8 HA ARG 8 4.175 2.582 -1.662 73 HB2 ARG 8 HB2 ARG 8 5.607 0.343 -3.082 74 HB3 ARG 8 HB1 ARG 8 4.452 1.434 -3.848 75 HG2 ARG 8 HG2 ARG 8 5.886 3.334 -3.305 76 HG3 ARG 8 HG1 ARG 8 7.040 2.245 -2.535 77 HD2 ARG 8 HD2 ARG 8 7.797 2.774 -4.766 78 HD3 ARG 8 HD1 ARG 8 7.323 1.079 -4.694 79 HE ARG 8 HE ARG 8 5.377 1.598 -5.949 80 HH11 ARG 8 HH11 ARG 8 7.578 4.294 -5.573 81 HH12 ARG 8 HH12 ARG 8 6.949 5.170 -6.930 82 HH21 ARG 8 HH21 ARG 8 4.528 2.752 -7.732 83 HH22 ARG 8 HH22 ARG 8 5.200 4.292 -8.159 84 H GLY 9 HN GLY 9 4.498 -0.852 -0.954 85 HA2 GLY 9 HA2 GLY 9 1.781 -1.474 -1.607 86 HA3 GLY 9 HA1 GLY 9 2.889 -2.489 -0.696 87 H TYR 10 HN TYR 10 3.092 0.332 0.827 88 HA TYR 10 HA TYR 10 1.061 -0.335 2.780 89 HB2 TYR 10 HB2 TYR 10 3.020 0.136 3.909 90 HB3 TYR 10 HB1 TYR 10 3.533 1.326 2.727 91 HD1 TYR 10 HD1 TYR 10 3.628 3.463 3.413 92 HD2 TYR 10 HD2 TYR 10 0.758 0.905 5.213 93 HE1 TYR 10 HE1 TYR 10 2.930 5.303 4.883 94 HE2 TYR 10 HE2 TYR 10 0.039 2.733 6.692 95 HH TYR 10 HH TYR 10 1.076 5.999 6.216 96 H TRP 11 HN TRP 11 2.105 2.653 1.048 97 HA TRP 11 HA TRP 11 -0.305 3.929 1.960 98 HB2 TRP 11 HB2 TRP 11 0.518 5.955 0.871 99 HB3 TRP 11 HB1 TRP 11 1.715 5.245 1.939 100 HD1 TRP 11 HD1 TRP 11 3.873 4.088 0.715 101 HE1 TRP 11 HE1 TRP 11 4.991 4.664 -1.533 102 HE3 TRP 11 HE3 TRP 11 0.050 6.687 -1.445 103 HZ2 TRP 11 HZ2 TRP 11 4.337 6.040 -3.902 104 HZ3 TRP 11 HZ3 TRP 11 0.381 7.618 -3.703 105 HH2 TRP 11 HH2 TRP 11 2.480 7.296 -4.904 106 H LEU 12 HN LEU 12 0.624 2.361 -1.002 107 HA LEU 12 HA LEU 12 -1.432 3.625 -2.577 108 HB2 LEU 12 HB2 LEU 12 0.175 1.101 -3.035 109 HB3 LEU 12 HB1 LEU 12 -0.937 1.790 -4.202 110 HG LEU 12 HG LEU 12 1.523 3.191 -3.159 111 HD11 LEU 12 HD11 LEU 12 2.487 2.718 -5.354 112 HD12 LEU 12 HD12 LEU 12 1.057 1.782 -5.788 113 HD13 LEU 12 HD13 LEU 12 2.114 1.228 -4.490 114 HD21 LEU 12 HD21 LEU 12 1.091 4.705 -5.054 115 HD22 LEU 12 HD22 LEU 12 -0.200 4.720 -3.853 116 HD23 LEU 12 HD23 LEU 12 -0.417 3.845 -5.370 117 H THR 13 HN THR 13 -0.963 0.852 -0.623 118 HA THR 13 HA THR 13 -3.453 -0.397 -1.234 119 HB THR 13 HB THR 13 -1.230 -0.933 0.736 120 HG1 THR 13 HG1 THR 13 -1.525 -1.325 -1.916 121 HG21 THR 13 HG21 THR 13 -3.536 -2.667 -0.067 122 HG22 THR 13 HG22 THR 13 -3.260 -1.944 1.517 123 HG23 THR 13 HG23 THR 13 -2.156 -3.173 0.903 124 H ASN 14 HN ASN 14 -2.505 2.170 0.709 125 HA ASN 14 HA ASN 14 -4.706 1.735 2.600 126 HB2 ASN 14 HB2 ASN 14 -2.297 3.479 2.619 127 HB3 ASN 14 HB1 ASN 14 -3.716 4.001 3.512 128 HD21 ASN 14 HD21 ASN 14 -2.811 0.648 3.108 129 HD22 ASN 14 HD22 ASN 14 -2.392 0.363 4.757 130 H LYS 15 HN LYS 15 -3.581 3.959 0.097 131 HA LYS 15 HA LYS 15 -5.626 5.884 0.486 132 HB2 LYS 15 HB2 LYS 15 -4.916 6.803 -1.676 133 HB3 LYS 15 HB1 LYS 15 -3.561 6.502 -0.607 134 HG2 LYS 15 HG2 LYS 15 -2.788 5.783 -2.662 135 HG3 LYS 15 HG1 LYS 15 -3.314 4.288 -1.893 136 HD2 LYS 15 HD2 LYS 15 -5.399 4.357 -3.132 137 HD3 LYS 15 HD1 LYS 15 -4.948 5.901 -3.851 138 HE2 LYS 15 HE2 LYS 15 -3.324 3.392 -4.195 139 HE3 LYS 15 HE1 LYS 15 -4.611 3.860 -5.305 140 HZ1 LYS 15 HZ1 LYS 15 -2.215 5.504 -4.686 141 HZ2 LYS 15 HZ2 LYS 15 -3.421 5.881 -5.803 142 HZ3 LYS 15 HZ3 LYS 15 -2.412 4.555 -6.072 143 H VAL 16 HN VAL 16 -5.495 2.919 -1.164 144 HA VAL 16 HA VAL 16 -7.520 3.081 -3.010 145 HB VAL 16 HB VAL 16 -6.210 1.092 -2.886 146 HG11 VAL 16 HG11 VAL 16 -6.246 -0.441 -1.008 147 HG12 VAL 16 HG12 VAL 16 -7.391 0.593 -0.156 148 HG13 VAL 16 HG13 VAL 16 -5.749 1.166 -0.465 149 HG21 VAL 16 HG21 VAL 16 -8.440 0.734 -3.738 150 HG22 VAL 16 HG22 VAL 16 -9.064 0.507 -2.104 151 HG23 VAL 16 HG23 VAL 16 -7.948 -0.673 -2.794 152 HA PRO 17 HA PRO 17 -10.975 4.019 -0.283 153 HB2 PRO 17 HB2 PRO 17 -12.788 4.219 -2.326 154 HB3 PRO 17 HB1 PRO 17 -11.731 5.540 -1.816 155 HG2 PRO 17 HG2 PRO 17 -11.439 3.651 -4.111 156 HG3 PRO 17 HG1 PRO 17 -11.090 5.387 -4.036 157 HD2 PRO 17 HD2 PRO 17 -9.148 3.505 -3.898 158 HD3 PRO 17 HD1 PRO 17 -9.029 5.055 -3.049 159 H ILE 18 HN ILE 18 -11.701 2.324 0.795 160 HA ILE 18 HA ILE 18 -13.355 0.370 -0.605 161 HB ILE 18 HB ILE 18 -12.418 -1.430 0.947 162 HG12 ILE 18 HG12 ILE 18 -10.129 0.544 1.104 163 HG13 ILE 18 HG11 ILE 18 -11.174 0.074 2.439 164 HG21 ILE 18 HG21 ILE 18 -10.547 -1.950 -0.581 165 HG22 ILE 18 HG22 ILE 18 -10.707 -0.338 -1.278 166 HG23 ILE 18 HG23 ILE 18 -12.027 -1.497 -1.426 167 HD11 ILE 18 HD11 ILE 18 -9.047 -1.068 2.564 168 HD12 ILE 18 HD12 ILE 18 -9.284 -1.729 0.946 169 HD13 ILE 18 HD13 ILE 18 -10.347 -2.221 2.264 170 H LYS 19 HN LYS 19 -14.073 2.606 0.881 171 HA LYS 19 HA LYS 19 -15.117 1.487 3.383 172 HB2 LYS 19 HB2 LYS 19 -15.071 4.331 2.359 173 HB3 LYS 19 HB1 LYS 19 -15.823 3.835 3.867 174 HG2 LYS 19 HG2 LYS 19 -12.899 3.618 3.179 175 HG3 LYS 19 HG1 LYS 19 -13.637 4.781 4.283 176 HD2 LYS 19 HD2 LYS 19 -14.381 2.915 5.711 177 HD3 LYS 19 HD1 LYS 19 -13.582 1.782 4.621 178 HE2 LYS 19 HE2 LYS 19 -12.160 2.197 6.520 179 HE3 LYS 19 HE1 LYS 19 -11.433 2.906 5.080 180 HZ1 LYS 19 HZ1 LYS 19 -12.930 4.358 7.192 181 HZ2 LYS 19 HZ2 LYS 19 -12.327 5.062 5.779 182 HZ3 LYS 19 HZ3 LYS 19 -11.261 4.419 6.917 183 H ARG 20 HN ARG 20 -15.990 2.440 0.209 184 HA ARG 20 HA ARG 20 -18.835 2.282 0.670 185 HB2 ARG 20 HB2 ARG 20 -17.309 2.251 -1.944 186 HB3 ARG 20 HB1 ARG 20 -19.013 2.588 -1.730 187 HG2 ARG 20 HG2 ARG 20 -16.725 4.280 -0.795 188 HG3 ARG 20 HG1 ARG 20 -17.832 4.639 -2.117 189 HD2 ARG 20 HD2 ARG 20 -18.589 4.368 0.790 190 HD3 ARG 20 HD1 ARG 20 -18.398 5.888 -0.079 191 HE ARG 20 HE ARG 20 -20.244 4.766 -1.575 192 HH11 ARG 20 HH11 ARG 20 -19.995 4.758 1.920 193 HH12 ARG 20 HH12 ARG 20 -21.711 4.719 2.164 194 HH21 ARG 20 HH21 ARG 20 -22.499 4.706 -1.254 195 HH22 ARG 20 HH22 ARG 20 -23.136 4.679 0.363 196 HA PRO 21 HA PRO 21 -19.166 -2.022 0.115 197 HB2 PRO 21 HB2 PRO 21 -21.484 -2.388 -1.212 198 HB3 PRO 21 HB1 PRO 21 -21.420 -1.718 0.421 199 HG2 PRO 21 HG2 PRO 21 -21.909 -0.359 -2.165 200 HG3 PRO 21 HG1 PRO 21 -22.498 0.050 -0.547 201 HD2 PRO 21 HD2 PRO 21 -20.350 1.248 -1.921 202 HD3 PRO 21 HD1 PRO 21 -20.768 1.477 -0.216 203 H SER 22 HN SER 22 -17.574 -0.778 -1.986 204 HA SER 22 HA SER 22 -16.517 -1.298 -3.923 205 HB2 SER 22 HB2 SER 22 -17.463 -4.093 -3.254 206 HB3 SER 22 HB1 SER 22 -16.104 -3.671 -4.294 207 HG SER 22 HG SER 22 -16.296 -3.696 -1.534 Start of MODEL 10 1 H1 LEU 1 HT1 LEU 1 12.916 -9.141 3.345 2 H2 LEU 1 HT2 LEU 1 13.704 -7.963 2.427 3 H3 LEU 1 HT3 LEU 1 12.369 -8.775 1.790 4 HA LEU 1 HA LEU 1 10.929 -7.804 3.439 5 HB2 LEU 1 HB2 LEU 1 12.578 -7.566 5.216 6 HB3 LEU 1 HB1 LEU 1 13.447 -6.367 4.282 7 HG LEU 1 HG LEU 1 11.499 -4.849 4.454 8 HD11 LEU 1 HD11 LEU 1 9.713 -5.372 6.052 9 HD12 LEU 1 HD12 LEU 1 10.382 -6.990 6.260 10 HD13 LEU 1 HD13 LEU 1 9.734 -6.499 4.696 11 HD21 LEU 1 HD21 LEU 1 13.338 -4.691 6.055 12 HD22 LEU 1 HD22 LEU 1 12.535 -5.864 7.098 13 HD23 LEU 1 HD23 LEU 1 11.795 -4.290 6.811 14 H ARG 2 HN ARG 2 13.554 -5.646 2.368 15 HA ARG 2 HA ARG 2 13.644 -3.948 0.880 16 HB2 ARG 2 HB2 ARG 2 11.348 -5.461 -0.180 17 HB3 ARG 2 HB1 ARG 2 11.450 -3.775 -0.655 18 HG2 ARG 2 HG2 ARG 2 12.501 -5.372 -2.248 19 HG3 ARG 2 HG1 ARG 2 13.583 -4.110 -1.663 20 HD2 ARG 2 HD2 ARG 2 14.498 -5.707 -0.021 21 HD3 ARG 2 HD1 ARG 2 13.445 -6.957 -0.676 22 HE ARG 2 HE ARG 2 15.224 -5.679 -2.576 23 HH11 ARG 2 HH11 ARG 2 14.703 -8.367 -0.392 24 HH12 ARG 2 HH12 ARG 2 15.862 -9.391 -1.177 25 HH21 ARG 2 HH21 ARG 2 16.757 -7.037 -3.606 26 HH22 ARG 2 HH22 ARG 2 17.030 -8.638 -2.994 27 H LEU 3 HN LEU 3 13.331 -1.922 1.179 28 HA LEU 3 HA LEU 3 11.430 -1.086 3.155 29 HB2 LEU 3 HB2 LEU 3 13.644 -0.197 3.307 30 HB3 LEU 3 HB1 LEU 3 13.595 0.342 1.639 31 HG LEU 3 HG LEU 3 11.965 2.055 2.198 32 HD11 LEU 3 HD11 LEU 3 12.179 1.016 5.015 33 HD12 LEU 3 HD12 LEU 3 10.772 0.889 3.958 34 HD13 LEU 3 HD13 LEU 3 11.320 2.472 4.513 35 HD21 LEU 3 HD21 LEU 3 13.378 3.467 3.597 36 HD22 LEU 3 HD22 LEU 3 14.336 2.592 2.403 37 HD23 LEU 3 HD23 LEU 3 14.317 2.057 4.083 38 H ILE 4 HN ILE 4 12.176 -0.077 -0.147 39 HA ILE 4 HA ILE 4 10.102 1.816 -0.301 40 HB ILE 4 HB ILE 4 11.767 0.459 -2.390 41 HG12 ILE 4 HG12 ILE 4 12.840 2.037 -0.807 42 HG13 ILE 4 HG11 ILE 4 12.907 2.592 -2.478 43 HG21 ILE 4 HG21 ILE 4 9.729 0.985 -3.514 44 HG22 ILE 4 HG22 ILE 4 10.930 2.195 -3.970 45 HG23 ILE 4 HG23 ILE 4 9.682 2.592 -2.786 46 HD11 ILE 4 HD11 ILE 4 11.032 3.567 -0.336 47 HD12 ILE 4 HD12 ILE 4 11.008 4.091 -2.018 48 HD13 ILE 4 HD13 ILE 4 12.413 4.434 -1.009 49 H HIS 5 HN HIS 5 10.226 -1.588 -1.008 50 HA HIS 5 HA HIS 5 7.764 -1.638 -2.496 51 HB2 HIS 5 HB2 HIS 5 9.276 -3.918 -1.202 52 HB3 HIS 5 HB1 HIS 5 7.974 -4.080 -2.377 53 HD1 HIS 5 HD1 HIS 5 8.701 -4.243 -4.754 54 HD2 HIS 5 HD2 HIS 5 11.581 -2.490 -2.333 55 HE1 HIS 5 HE1 HIS 5 10.696 -3.857 -6.235 56 HE2 HIS 5 HE2 HIS 5 12.350 -2.636 -4.797 57 H ALA 6 HN ALA 6 8.712 -1.850 0.809 58 HA ALA 6 HA ALA 6 6.176 -2.864 1.741 59 HB1 ALA 6 HB1 ALA 6 8.269 -3.400 2.921 60 HB2 ALA 6 HB2 ALA 6 7.125 -2.549 3.962 61 HB3 ALA 6 HB3 ALA 6 8.497 -1.684 3.266 62 H VAL 7 HN VAL 7 7.798 0.113 1.173 63 HA VAL 7 HA VAL 7 6.055 1.803 2.620 64 HB VAL 7 HB VAL 7 8.038 2.290 0.414 65 HG11 VAL 7 HG11 VAL 7 6.390 3.941 -0.028 66 HG12 VAL 7 HG12 VAL 7 7.687 4.743 0.869 67 HG13 VAL 7 HG13 VAL 7 6.191 4.295 1.695 68 HG21 VAL 7 HG21 VAL 7 9.213 3.517 2.191 69 HG22 VAL 7 HG22 VAL 7 8.953 1.819 2.588 70 HG23 VAL 7 HG23 VAL 7 7.934 3.060 3.321 71 H ARG 8 HN ARG 8 6.415 1.194 -0.854 72 HA ARG 8 HA ARG 8 4.142 2.697 -1.572 73 HB2 ARG 8 HB2 ARG 8 5.655 0.562 -3.067 74 HB3 ARG 8 HB1 ARG 8 4.433 1.607 -3.790 75 HG2 ARG 8 HG2 ARG 8 5.785 3.567 -3.248 76 HG3 ARG 8 HG1 ARG 8 7.000 2.529 -2.505 77 HD2 ARG 8 HD2 ARG 8 7.699 3.130 -4.741 78 HD3 ARG 8 HD1 ARG 8 7.341 1.408 -4.671 79 HE ARG 8 HE ARG 8 5.213 3.160 -5.616 80 HH11 ARG 8 HH11 ARG 8 7.823 0.973 -6.420 81 HH12 ARG 8 HH12 ARG 8 7.219 0.622 -8.006 82 HH21 ARG 8 HH21 ARG 8 4.405 2.705 -7.716 83 HH22 ARG 8 HH22 ARG 8 5.270 1.606 -8.743 84 H GLY 9 HN GLY 9 4.638 -0.742 -0.969 85 HA2 GLY 9 HA2 GLY 9 1.948 -1.488 -1.575 86 HA3 GLY 9 HA1 GLY 9 3.117 -2.454 -0.682 87 H TYR 10 HN TYR 10 3.193 0.344 0.890 88 HA TYR 10 HA TYR 10 1.192 -0.429 2.836 89 HB2 TYR 10 HB2 TYR 10 3.126 0.143 3.966 90 HB3 TYR 10 HB1 TYR 10 3.579 1.351 2.783 91 HD1 TYR 10 HD1 TYR 10 0.748 0.852 5.198 92 HD2 TYR 10 HD2 TYR 10 3.666 3.447 3.538 93 HE1 TYR 10 HE1 TYR 10 -0.003 2.642 6.708 94 HE2 TYR 10 HE2 TYR 10 2.929 5.251 5.028 95 HH TYR 10 HH TYR 10 0.867 5.880 6.283 96 H TRP 11 HN TRP 11 2.110 2.618 1.153 97 HA TRP 11 HA TRP 11 -0.368 3.746 2.073 98 HB2 TRP 11 HB2 TRP 11 0.399 5.857 1.160 99 HB3 TRP 11 HB1 TRP 11 1.623 5.115 2.173 100 HD1 TRP 11 HD1 TRP 11 3.834 4.168 0.884 101 HE1 TRP 11 HE1 TRP 11 4.926 4.951 -1.318 102 HE3 TRP 11 HE3 TRP 11 -0.113 6.706 -1.097 103 HZ2 TRP 11 HZ2 TRP 11 4.195 6.466 -3.589 104 HZ3 TRP 11 HZ3 TRP 11 0.158 7.818 -3.280 105 HH2 TRP 11 HH2 TRP 11 2.271 7.695 -4.501 106 H LEU 12 HN LEU 12 0.709 2.365 -0.934 107 HA LEU 12 HA LEU 12 -1.319 3.663 -2.522 108 HB2 LEU 12 HB2 LEU 12 0.415 1.243 -3.060 109 HB3 LEU 12 HB1 LEU 12 -0.678 1.955 -4.233 110 HG LEU 12 HG LEU 12 1.654 3.413 -2.991 111 HD11 LEU 12 HD11 LEU 12 1.403 2.121 -5.708 112 HD12 LEU 12 HD12 LEU 12 2.425 1.559 -4.387 113 HD13 LEU 12 HD13 LEU 12 2.752 3.112 -5.155 114 HD21 LEU 12 HD21 LEU 12 -0.136 4.867 -3.701 115 HD22 LEU 12 HD22 LEU 12 -0.185 4.081 -5.279 116 HD23 LEU 12 HD23 LEU 12 1.234 5.013 -4.803 117 H THR 13 HN THR 13 -0.934 0.939 -0.555 118 HA THR 13 HA THR 13 -3.252 -0.486 -1.408 119 HB THR 13 HB THR 13 -1.335 -0.791 0.906 120 HG1 THR 13 HG1 THR 13 -0.208 -2.119 -0.435 121 HG21 THR 13 HG21 THR 13 -2.091 -3.090 0.978 122 HG22 THR 13 HG22 THR 13 -3.295 -2.729 -0.258 123 HG23 THR 13 HG23 THR 13 -3.393 -1.955 1.322 124 H ASN 14 HN ASN 14 -2.622 2.163 0.591 125 HA ASN 14 HA ASN 14 -4.921 1.629 2.326 126 HB2 ASN 14 HB2 ASN 14 -2.438 3.164 2.629 127 HB3 ASN 14 HB1 ASN 14 -3.872 3.894 3.329 128 HD21 ASN 14 HD21 ASN 14 -1.653 1.238 3.475 129 HD22 ASN 14 HD22 ASN 14 -2.191 0.616 4.999 130 H LYS 15 HN LYS 15 -3.686 4.042 0.039 131 HA LYS 15 HA LYS 15 -5.578 6.061 0.445 132 HB2 LYS 15 HB2 LYS 15 -4.276 5.252 -2.161 133 HB3 LYS 15 HB1 LYS 15 -5.064 6.793 -1.847 134 HG2 LYS 15 HG2 LYS 15 -2.695 5.770 -0.324 135 HG3 LYS 15 HG1 LYS 15 -2.583 6.849 -1.720 136 HD2 LYS 15 HD2 LYS 15 -3.843 8.554 -0.564 137 HD3 LYS 15 HD1 LYS 15 -4.134 7.470 0.795 138 HE2 LYS 15 HE2 LYS 15 -1.397 8.368 -0.090 139 HE3 LYS 15 HE1 LYS 15 -2.335 9.169 1.169 140 HZ1 LYS 15 HZ1 LYS 15 -1.505 6.322 1.242 141 HZ2 LYS 15 HZ2 LYS 15 -2.297 7.170 2.470 142 HZ3 LYS 15 HZ3 LYS 15 -0.714 7.578 2.049 143 H VAL 16 HN VAL 16 -5.655 3.283 -1.651 144 HA VAL 16 HA VAL 16 -8.167 3.498 -2.772 145 HB VAL 16 HB VAL 16 -6.773 1.792 -3.574 146 HG11 VAL 16 HG11 VAL 16 -5.747 0.079 -2.181 147 HG12 VAL 16 HG12 VAL 16 -6.554 0.729 -0.756 148 HG13 VAL 16 HG13 VAL 16 -5.322 1.688 -1.580 149 HG21 VAL 16 HG21 VAL 16 -9.124 1.080 -3.426 150 HG22 VAL 16 HG22 VAL 16 -8.802 0.374 -1.841 151 HG23 VAL 16 HG23 VAL 16 -8.014 -0.283 -3.277 152 HA PRO 17 HA PRO 17 -10.540 3.186 1.061 153 HB2 PRO 17 HB2 PRO 17 -12.934 3.772 -0.078 154 HB3 PRO 17 HB1 PRO 17 -11.755 5.014 0.363 155 HG2 PRO 17 HG2 PRO 17 -12.298 3.782 -2.312 156 HG3 PRO 17 HG1 PRO 17 -12.009 5.484 -1.900 157 HD2 PRO 17 HD2 PRO 17 -10.081 3.890 -2.940 158 HD3 PRO 17 HD1 PRO 17 -9.724 5.198 -1.798 159 H ILE 18 HN ILE 18 -10.909 1.188 1.731 160 HA ILE 18 HA ILE 18 -11.939 -0.797 -0.136 161 HB ILE 18 HB ILE 18 -11.401 -2.461 1.611 162 HG12 ILE 18 HG12 ILE 18 -10.285 -0.100 3.145 163 HG13 ILE 18 HG11 ILE 18 -11.771 -0.949 3.556 164 HG21 ILE 18 HG21 ILE 18 -9.729 -1.920 -0.052 165 HG22 ILE 18 HG22 ILE 18 -8.952 -2.217 1.504 166 HG23 ILE 18 HG23 ILE 18 -9.162 -0.565 0.923 167 HD11 ILE 18 HD11 ILE 18 -9.009 -2.140 3.528 168 HD12 ILE 18 HD12 ILE 18 -10.498 -2.990 3.945 169 HD13 ILE 18 HD13 ILE 18 -9.926 -1.665 4.957 170 H LYS 19 HN LYS 19 -13.539 1.321 0.949 171 HA LYS 19 HA LYS 19 -15.475 -0.147 2.602 172 HB2 LYS 19 HB2 LYS 19 -15.121 2.833 2.250 173 HB3 LYS 19 HB1 LYS 19 -16.299 2.059 3.298 174 HG2 LYS 19 HG2 LYS 19 -14.523 1.129 4.659 175 HG3 LYS 19 HG1 LYS 19 -13.310 1.806 3.573 176 HD2 LYS 19 HD2 LYS 19 -13.509 3.214 5.524 177 HD3 LYS 19 HD1 LYS 19 -14.149 4.073 4.122 178 HE2 LYS 19 HE2 LYS 19 -16.422 3.448 4.794 179 HE3 LYS 19 HE1 LYS 19 -15.771 2.615 6.203 180 HZ1 LYS 19 HZ1 LYS 19 -15.545 5.522 5.646 181 HZ2 LYS 19 HZ2 LYS 19 -14.892 4.731 6.990 182 HZ3 LYS 19 HZ3 LYS 19 -16.568 4.805 6.787 183 H ARG 20 HN ARG 20 -14.902 1.109 -0.465 184 HA ARG 20 HA ARG 20 -17.729 1.358 -1.135 185 HB2 ARG 20 HB2 ARG 20 -16.926 2.092 -3.349 186 HB3 ARG 20 HB1 ARG 20 -16.251 3.061 -2.052 187 HG2 ARG 20 HG2 ARG 20 -14.163 1.757 -2.207 188 HG3 ARG 20 HG1 ARG 20 -14.852 0.872 -3.572 189 HD2 ARG 20 HD2 ARG 20 -15.117 3.002 -4.783 190 HD3 ARG 20 HD1 ARG 20 -14.365 3.846 -3.431 191 HE ARG 20 HE ARG 20 -12.708 1.750 -4.419 192 HH11 ARG 20 HH11 ARG 20 -13.717 5.049 -5.003 193 HH12 ARG 20 HH12 ARG 20 -12.300 5.459 -5.914 194 HH21 ARG 20 HH21 ARG 20 -10.822 2.289 -5.598 195 HH22 ARG 20 HH22 ARG 20 -10.650 3.886 -6.251 196 HA PRO 21 HA PRO 21 -18.013 -2.747 -2.647 197 HB2 PRO 21 HB2 PRO 21 -20.015 -2.525 -4.438 198 HB3 PRO 21 HB1 PRO 21 -20.282 -2.351 -2.699 199 HG2 PRO 21 HG2 PRO 21 -19.975 -0.229 -4.790 200 HG3 PRO 21 HG1 PRO 21 -21.140 -0.323 -3.455 201 HD2 PRO 21 HD2 PRO 21 -18.882 1.191 -3.353 202 HD3 PRO 21 HD1 PRO 21 -19.629 0.467 -1.916 203 H SER 22 HN SER 22 -15.768 -1.879 -3.729 204 HA SER 22 HA SER 22 -16.000 -2.743 -6.530 205 HB2 SER 22 HB2 SER 22 -15.496 -0.246 -6.230 206 HB3 SER 22 HB1 SER 22 -13.937 -0.746 -5.584 207 HG SER 22 HG SER 22 -14.922 -1.532 -8.130 Start of MODEL 11 1 H1 LEU 1 HT1 LEU 1 10.137 -9.104 2.624 2 H2 LEU 1 HT2 LEU 1 11.449 -8.746 1.623 3 H3 LEU 1 HT3 LEU 1 10.176 -7.650 1.766 4 HA LEU 1 HA LEU 1 10.680 -7.257 4.048 5 HB2 LEU 1 HB2 LEU 1 13.057 -8.227 4.707 6 HB3 LEU 1 HB1 LEU 1 11.572 -9.099 5.020 7 HG LEU 1 HG LEU 1 11.985 -10.359 2.861 8 HD11 LEU 1 HD11 LEU 1 14.722 -9.128 3.129 9 HD12 LEU 1 HD12 LEU 1 13.567 -8.817 1.834 10 HD13 LEU 1 HD13 LEU 1 14.272 -10.422 2.019 11 HD21 LEU 1 HD21 LEU 1 13.613 -11.867 3.892 12 HD22 LEU 1 HD22 LEU 1 12.393 -11.335 5.049 13 HD23 LEU 1 HD23 LEU 1 14.007 -10.625 5.081 14 H ARG 2 HN ARG 2 10.782 -5.589 2.177 15 HA ARG 2 HA ARG 2 13.507 -4.465 2.188 16 HB2 ARG 2 HB2 ARG 2 12.513 -5.404 -0.072 17 HB3 ARG 2 HB1 ARG 2 11.599 -3.901 -0.053 18 HG2 ARG 2 HG2 ARG 2 13.532 -3.558 -1.386 19 HG3 ARG 2 HG1 ARG 2 13.763 -2.676 0.124 20 HD2 ARG 2 HD2 ARG 2 15.807 -3.811 -0.469 21 HD3 ARG 2 HD1 ARG 2 15.118 -4.551 0.975 22 HE ARG 2 HE ARG 2 14.375 -5.830 -1.504 23 HH11 ARG 2 HH11 ARG 2 16.684 -5.717 1.121 24 HH12 ARG 2 HH12 ARG 2 17.244 -7.338 0.871 25 HH21 ARG 2 HH21 ARG 2 15.126 -7.945 -1.866 26 HH22 ARG 2 HH22 ARG 2 16.367 -8.608 -0.850 27 H LEU 3 HN LEU 3 13.263 -1.957 1.568 28 HA LEU 3 HA LEU 3 11.319 -0.936 3.448 29 HB2 LEU 3 HB2 LEU 3 13.532 -0.039 3.629 30 HB3 LEU 3 HB1 LEU 3 13.541 0.405 1.932 31 HG LEU 3 HG LEU 3 11.852 2.109 2.327 32 HD11 LEU 3 HD11 LEU 3 10.617 0.978 4.103 33 HD12 LEU 3 HD12 LEU 3 11.065 2.621 4.571 34 HD13 LEU 3 HD13 LEU 3 11.964 1.247 5.213 35 HD21 LEU 3 HD21 LEU 3 14.190 2.730 2.603 36 HD22 LEU 3 HD22 LEU 3 14.125 2.265 4.303 37 HD23 LEU 3 HD23 LEU 3 13.166 3.627 3.725 38 H ILE 4 HN ILE 4 12.276 0.186 0.229 39 HA ILE 4 HA ILE 4 10.062 1.848 -0.111 40 HB ILE 4 HB ILE 4 11.942 0.645 -2.113 41 HG12 ILE 4 HG12 ILE 4 12.948 2.156 -0.494 42 HG13 ILE 4 HG11 ILE 4 12.915 2.908 -2.085 43 HG21 ILE 4 HG21 ILE 4 9.849 2.760 -2.566 44 HG22 ILE 4 HG22 ILE 4 9.919 1.160 -3.308 45 HG23 ILE 4 HG23 ILE 4 11.148 2.365 -3.693 46 HD11 ILE 4 HD11 ILE 4 12.338 4.530 -0.422 47 HD12 ILE 4 HD12 ILE 4 11.079 3.482 0.225 48 HD13 ILE 4 HD13 ILE 4 10.907 4.173 -1.389 49 H HIS 5 HN HIS 5 10.481 -1.527 -0.905 50 HA HIS 5 HA HIS 5 8.160 -1.664 -2.594 51 HB2 HIS 5 HB2 HIS 5 9.745 -3.901 -1.308 52 HB3 HIS 5 HB1 HIS 5 8.540 -4.094 -2.580 53 HD1 HIS 5 HD1 HIS 5 9.404 -3.993 -4.922 54 HD2 HIS 5 HD2 HIS 5 12.018 -2.280 -2.186 55 HE1 HIS 5 HE1 HIS 5 11.450 -3.375 -6.241 56 HE2 HIS 5 HE2 HIS 5 12.971 -2.232 -4.593 57 H ALA 6 HN ALA 6 8.776 -1.722 0.729 58 HA ALA 6 HA ALA 6 6.259 -2.983 1.453 59 HB1 ALA 6 HB1 ALA 6 7.015 -2.572 3.751 60 HB2 ALA 6 HB2 ALA 6 8.399 -1.663 3.134 61 HB3 ALA 6 HB3 ALA 6 8.262 -3.394 2.811 62 H VAL 7 HN VAL 7 7.883 0.112 1.437 63 HA VAL 7 HA VAL 7 5.975 1.746 2.593 64 HB VAL 7 HB VAL 7 8.054 2.251 0.482 65 HG11 VAL 7 HG11 VAL 7 7.648 4.700 0.891 66 HG12 VAL 7 HG12 VAL 7 6.116 4.244 1.643 67 HG13 VAL 7 HG13 VAL 7 6.411 3.872 -0.063 68 HG21 VAL 7 HG21 VAL 7 7.793 3.013 3.380 69 HG22 VAL 7 HG22 VAL 7 9.112 3.515 2.319 70 HG23 VAL 7 HG23 VAL 7 8.878 1.806 2.690 71 H ARG 8 HN ARG 8 6.465 1.111 -0.865 72 HA ARG 8 HA ARG 8 4.296 2.703 -1.671 73 HB2 ARG 8 HB2 ARG 8 5.751 0.489 -3.100 74 HB3 ARG 8 HB1 ARG 8 4.613 1.590 -3.873 75 HG2 ARG 8 HG2 ARG 8 6.031 3.481 -3.306 76 HG3 ARG 8 HG1 ARG 8 7.151 2.408 -2.470 77 HD2 ARG 8 HD2 ARG 8 8.007 2.929 -4.671 78 HD3 ARG 8 HD1 ARG 8 7.569 1.225 -4.589 79 HE ARG 8 HE ARG 8 5.391 2.685 -5.605 80 HH11 ARG 8 HH11 ARG 8 8.606 1.655 -6.511 81 HH12 ARG 8 HH12 ARG 8 8.274 1.673 -8.212 82 HH21 ARG 8 HH21 ARG 8 4.948 2.695 -7.856 83 HH22 ARG 8 HH22 ARG 8 6.201 2.262 -8.973 84 H GLY 9 HN GLY 9 4.571 -0.780 -1.142 85 HA2 GLY 9 HA2 GLY 9 1.890 -1.383 -1.857 86 HA3 GLY 9 HA1 GLY 9 2.942 -2.389 -0.867 87 H TYR 10 HN TYR 10 3.193 0.232 0.808 88 HA TYR 10 HA TYR 10 1.088 -0.443 2.649 89 HB2 TYR 10 HB2 TYR 10 3.031 0.010 3.816 90 HB3 TYR 10 HB1 TYR 10 3.544 1.243 2.680 91 HD1 TYR 10 HD1 TYR 10 3.352 3.448 3.205 92 HD2 TYR 10 HD2 TYR 10 1.012 0.630 5.356 93 HE1 TYR 10 HE1 TYR 10 2.630 5.230 4.725 94 HE2 TYR 10 HE2 TYR 10 0.266 2.408 6.888 95 HH TYR 10 HH TYR 10 0.819 5.730 6.238 96 H TRP 11 HN TRP 11 2.097 2.617 1.003 97 HA TRP 11 HA TRP 11 -0.330 3.842 1.906 98 HB2 TRP 11 HB2 TRP 11 0.376 5.845 0.658 99 HB3 TRP 11 HB1 TRP 11 1.583 5.264 1.791 100 HD1 TRP 11 HD1 TRP 11 3.803 4.136 0.698 101 HE1 TRP 11 HE1 TRP 11 4.951 4.600 -1.556 102 HE3 TRP 11 HE3 TRP 11 -0.066 6.436 -1.725 103 HZ2 TRP 11 HZ2 TRP 11 4.308 5.777 -4.024 104 HZ3 TRP 11 HZ3 TRP 11 0.287 7.211 -4.033 105 HH2 TRP 11 HH2 TRP 11 2.431 6.888 -5.159 106 H LEU 12 HN LEU 12 0.718 2.445 -1.147 107 HA LEU 12 HA LEU 12 -1.416 3.410 -2.716 108 HB2 LEU 12 HB2 LEU 12 0.171 0.852 -2.937 109 HB3 LEU 12 HB1 LEU 12 -0.955 1.417 -4.155 110 HG LEU 12 HG LEU 12 1.476 2.970 -3.275 111 HD11 LEU 12 HD11 LEU 12 1.096 1.211 -5.700 112 HD12 LEU 12 HD12 LEU 12 2.141 0.862 -4.323 113 HD13 LEU 12 HD13 LEU 12 2.495 2.234 -5.372 114 HD21 LEU 12 HD21 LEU 12 1.054 4.226 -5.343 115 HD22 LEU 12 HD22 LEU 12 -0.290 4.340 -4.208 116 HD23 LEU 12 HD23 LEU 12 -0.409 3.276 -5.609 117 H THR 13 HN THR 13 -1.162 0.792 -0.438 118 HA THR 13 HA THR 13 -3.768 -0.284 -1.169 119 HB THR 13 HB THR 13 -1.533 -1.519 -0.355 120 HG1 THR 13 HG1 THR 13 -3.513 -2.477 -1.130 121 HG21 THR 13 HG21 THR 13 -3.150 -1.165 2.164 122 HG22 THR 13 HG22 THR 13 -1.508 -0.587 1.872 123 HG23 THR 13 HG23 THR 13 -1.829 -2.318 1.958 124 H ASN 14 HN ASN 14 -2.668 2.194 0.646 125 HA ASN 14 HA ASN 14 -4.542 1.836 2.865 126 HB2 ASN 14 HB2 ASN 14 -1.970 3.090 2.523 127 HB3 ASN 14 HB1 ASN 14 -3.130 4.201 3.244 128 HD21 ASN 14 HD21 ASN 14 -3.151 0.718 3.636 129 HD22 ASN 14 HD22 ASN 14 -2.758 0.717 5.317 130 H LYS 15 HN LYS 15 -3.591 4.328 0.499 131 HA LYS 15 HA LYS 15 -5.509 6.248 1.233 132 HB2 LYS 15 HB2 LYS 15 -4.415 5.835 -1.549 133 HB3 LYS 15 HB1 LYS 15 -5.007 7.335 -0.849 134 HG2 LYS 15 HG2 LYS 15 -2.572 5.834 0.064 135 HG3 LYS 15 HG1 LYS 15 -2.559 7.248 -0.994 136 HD2 LYS 15 HD2 LYS 15 -3.730 8.511 0.836 137 HD3 LYS 15 HD1 LYS 15 -3.465 7.112 1.880 138 HE2 LYS 15 HE2 LYS 15 -1.731 8.729 2.284 139 HE3 LYS 15 HE1 LYS 15 -1.031 7.329 1.475 140 HZ1 LYS 15 HZ1 LYS 15 -1.146 8.562 -0.622 141 HZ2 LYS 15 HZ2 LYS 15 -0.185 9.355 0.521 142 HZ3 LYS 15 HZ3 LYS 15 -1.748 9.911 0.199 143 H VAL 16 HN VAL 16 -5.560 3.695 -1.128 144 HA VAL 16 HA VAL 16 -8.015 4.073 -2.312 145 HB VAL 16 HB VAL 16 -6.532 2.452 -3.208 146 HG11 VAL 16 HG11 VAL 16 -6.736 0.952 -0.597 147 HG12 VAL 16 HG12 VAL 16 -5.361 1.940 -1.097 148 HG13 VAL 16 HG13 VAL 16 -5.783 0.481 -2.004 149 HG21 VAL 16 HG21 VAL 16 -8.918 1.071 -1.980 150 HG22 VAL 16 HG22 VAL 16 -7.924 0.396 -3.273 151 HG23 VAL 16 HG23 VAL 16 -8.848 1.873 -3.550 152 HA PRO 17 HA PRO 17 -10.669 3.387 1.262 153 HB2 PRO 17 HB2 PRO 17 -12.983 3.700 -0.207 154 HB3 PRO 17 HB1 PRO 17 -12.097 5.018 0.558 155 HG2 PRO 17 HG2 PRO 17 -12.108 4.137 -2.284 156 HG3 PRO 17 HG1 PRO 17 -11.986 5.772 -1.613 157 HD2 PRO 17 HD2 PRO 17 -9.850 4.411 -2.594 158 HD3 PRO 17 HD1 PRO 17 -9.712 5.600 -1.290 159 H ILE 18 HN ILE 18 -10.860 1.348 1.877 160 HA ILE 18 HA ILE 18 -12.232 -0.537 0.096 161 HB ILE 18 HB ILE 18 -10.795 -2.370 1.048 162 HG12 ILE 18 HG12 ILE 18 -9.046 -0.055 1.910 163 HG13 ILE 18 HG11 ILE 18 -9.951 -1.100 2.999 164 HG21 ILE 18 HG21 ILE 18 -10.460 -1.537 -1.207 165 HG22 ILE 18 HG22 ILE 18 -8.914 -1.951 -0.464 166 HG23 ILE 18 HG23 ILE 18 -9.407 -0.262 -0.594 167 HD11 ILE 18 HD11 ILE 18 -7.729 -1.976 1.168 168 HD12 ILE 18 HD12 ILE 18 -8.623 -3.007 2.286 169 HD13 ILE 18 HD13 ILE 18 -7.601 -1.712 2.908 170 H LYS 19 HN LYS 19 -13.384 1.014 2.094 171 HA LYS 19 HA LYS 19 -13.883 -0.878 4.279 172 HB2 LYS 19 HB2 LYS 19 -14.636 2.040 3.982 173 HB3 LYS 19 HB1 LYS 19 -15.034 1.042 5.373 174 HG2 LYS 19 HG2 LYS 19 -12.730 0.798 5.950 175 HG3 LYS 19 HG1 LYS 19 -12.218 1.568 4.449 176 HD2 LYS 19 HD2 LYS 19 -12.009 3.141 6.263 177 HD3 LYS 19 HD1 LYS 19 -13.315 3.658 5.198 178 HE2 LYS 19 HE2 LYS 19 -14.960 2.771 6.739 179 HE3 LYS 19 HE1 LYS 19 -13.683 2.144 7.780 180 HZ1 LYS 19 HZ1 LYS 19 -14.155 5.011 7.175 181 HZ2 LYS 19 HZ2 LYS 19 -12.948 4.402 8.190 182 HZ3 LYS 19 HZ3 LYS 19 -14.574 4.230 8.614 183 H ARG 20 HN ARG 20 -15.950 1.485 2.617 184 HA ARG 20 HA ARG 20 -17.944 -0.638 2.243 185 HB2 ARG 20 HB2 ARG 20 -19.548 1.201 1.810 186 HB3 ARG 20 HB1 ARG 20 -18.837 1.280 3.417 187 HG2 ARG 20 HG2 ARG 20 -17.303 3.013 2.653 188 HG3 ARG 20 HG1 ARG 20 -18.010 2.935 1.041 189 HD2 ARG 20 HD2 ARG 20 -18.913 4.808 2.306 190 HD3 ARG 20 HD1 ARG 20 -20.165 3.620 1.952 191 HE ARG 20 HE ARG 20 -18.910 3.292 4.527 192 HH11 ARG 20 HH11 ARG 20 -21.447 4.899 2.748 193 HH12 ARG 20 HH12 ARG 20 -22.470 5.106 4.132 194 HH21 ARG 20 HH21 ARG 20 -20.249 3.563 6.366 195 HH22 ARG 20 HH22 ARG 20 -21.789 4.338 6.193 196 HA PRO 21 HA PRO 21 -16.846 -0.494 -2.073 197 HB2 PRO 21 HB2 PRO 21 -18.685 -2.231 -2.998 198 HB3 PRO 21 HB1 PRO 21 -17.296 -2.757 -2.041 199 HG2 PRO 21 HG2 PRO 21 -20.134 -2.370 -1.208 200 HG3 PRO 21 HG1 PRO 21 -18.983 -3.624 -0.723 201 HD2 PRO 21 HD2 PRO 21 -19.613 -1.393 0.779 202 HD3 PRO 21 HD1 PRO 21 -18.125 -2.338 0.952 203 H SER 22 HN SER 22 -18.144 1.750 -1.306 204 HA SER 22 HA SER 22 -20.411 2.024 -3.162 205 HB2 SER 22 HB2 SER 22 -19.791 3.756 -0.760 206 HB3 SER 22 HB1 SER 22 -21.265 3.761 -1.729 207 HG SER 22 HG SER 22 -21.005 1.299 -0.948 Start of MODEL 12 1 H1 LEU 1 HT1 LEU 1 8.268 -8.152 2.757 2 H2 LEU 1 HT2 LEU 1 8.560 -6.555 3.219 3 H3 LEU 1 HT3 LEU 1 9.841 -7.544 2.738 4 HA LEU 1 HA LEU 1 8.945 -7.686 0.513 5 HB2 LEU 1 HB2 LEU 1 6.898 -5.742 1.590 6 HB3 LEU 1 HB1 LEU 1 7.142 -6.072 -0.111 7 HG LEU 1 HG LEU 1 6.626 -8.542 0.565 8 HD11 LEU 1 HD11 LEU 1 5.033 -8.719 2.411 9 HD12 LEU 1 HD12 LEU 1 5.318 -7.027 2.817 10 HD13 LEU 1 HD13 LEU 1 6.621 -8.202 2.972 11 HD21 LEU 1 HD21 LEU 1 4.508 -6.404 0.447 12 HD22 LEU 1 HD22 LEU 1 4.238 -8.126 0.186 13 HD23 LEU 1 HD23 LEU 1 5.257 -7.214 -0.927 14 H ARG 2 HN ARG 2 11.154 -6.630 1.569 15 HA ARG 2 HA ARG 2 12.777 -5.071 1.271 16 HB2 ARG 2 HB2 ARG 2 11.698 -5.378 -1.129 17 HB3 ARG 2 HB1 ARG 2 11.191 -3.718 -0.866 18 HG2 ARG 2 HG2 ARG 2 13.248 -3.813 -2.138 19 HG3 ARG 2 HG1 ARG 2 13.516 -3.045 -0.576 20 HD2 ARG 2 HD2 ARG 2 15.332 -4.566 -1.110 21 HD3 ARG 2 HD1 ARG 2 14.443 -5.132 0.297 22 HE ARG 2 HE ARG 2 13.280 -6.459 -1.770 23 HH11 ARG 2 HH11 ARG 2 16.590 -6.075 -0.696 24 HH12 ARG 2 HH12 ARG 2 17.091 -7.642 -1.249 25 HH21 ARG 2 HH21 ARG 2 13.925 -8.539 -2.481 26 HH22 ARG 2 HH22 ARG 2 15.567 -9.050 -2.250 27 H LEU 3 HN LEU 3 12.830 -2.367 0.730 28 HA LEU 3 HA LEU 3 11.347 -1.311 2.990 29 HB2 LEU 3 HB2 LEU 3 13.677 -0.721 2.881 30 HB3 LEU 3 HB1 LEU 3 13.490 -0.111 1.247 31 HG LEU 3 HG LEU 3 12.115 1.733 2.060 32 HD11 LEU 3 HD11 LEU 3 12.607 0.581 4.800 33 HD12 LEU 3 HD12 LEU 3 11.064 0.603 3.946 34 HD13 LEU 3 HD13 LEU 3 11.820 2.117 4.447 35 HD21 LEU 3 HD21 LEU 3 13.843 2.944 3.296 36 HD22 LEU 3 HD22 LEU 3 14.528 2.040 1.945 37 HD23 LEU 3 HD23 LEU 3 14.695 1.428 3.589 38 H ILE 4 HN ILE 4 12.013 -0.070 -0.252 39 HA ILE 4 HA ILE 4 9.939 1.812 -0.236 40 HB ILE 4 HB ILE 4 11.519 0.589 -2.468 41 HG12 ILE 4 HG12 ILE 4 12.711 2.034 -0.875 42 HG13 ILE 4 HG11 ILE 4 12.638 2.754 -2.479 43 HG21 ILE 4 HG21 ILE 4 10.658 2.394 -3.919 44 HG22 ILE 4 HG22 ILE 4 9.489 2.803 -2.660 45 HG23 ILE 4 HG23 ILE 4 9.423 1.225 -3.450 46 HD11 ILE 4 HD11 ILE 4 10.961 3.499 -0.096 47 HD12 ILE 4 HD12 ILE 4 10.767 4.174 -1.712 48 HD13 ILE 4 HD13 ILE 4 12.262 4.444 -0.817 49 H HIS 5 HN HIS 5 10.011 -1.540 -1.169 50 HA HIS 5 HA HIS 5 7.486 -1.480 -2.538 51 HB2 HIS 5 HB2 HIS 5 9.034 -3.854 -1.478 52 HB3 HIS 5 HB1 HIS 5 7.689 -3.919 -2.612 53 HD1 HIS 5 HD1 HIS 5 8.314 -3.896 -5.020 54 HD2 HIS 5 HD2 HIS 5 11.324 -2.385 -2.589 55 HE1 HIS 5 HE1 HIS 5 10.246 -3.406 -6.557 56 HE2 HIS 5 HE2 HIS 5 12.126 -2.717 -5.028 57 H ALA 6 HN ALA 6 8.544 -1.717 0.690 58 HA ALA 6 HA ALA 6 6.050 -2.787 1.710 59 HB1 ALA 6 HB1 ALA 6 7.086 -2.492 3.893 60 HB2 ALA 6 HB2 ALA 6 8.423 -1.605 3.157 61 HB3 ALA 6 HB3 ALA 6 8.200 -3.319 2.802 62 H VAL 7 HN VAL 7 7.823 0.194 1.408 63 HA VAL 7 HA VAL 7 6.084 1.916 2.751 64 HB VAL 7 HB VAL 7 8.042 2.345 0.505 65 HG11 VAL 7 HG11 VAL 7 7.797 4.801 1.026 66 HG12 VAL 7 HG12 VAL 7 6.298 4.392 1.863 67 HG13 VAL 7 HG13 VAL 7 6.464 4.068 0.132 68 HG21 VAL 7 HG21 VAL 7 8.051 3.069 3.425 69 HG22 VAL 7 HG22 VAL 7 9.313 3.495 2.267 70 HG23 VAL 7 HG23 VAL 7 8.998 1.802 2.646 71 H ARG 8 HN ARG 8 6.377 1.279 -0.736 72 HA ARG 8 HA ARG 8 4.032 2.757 -1.347 73 HB2 ARG 8 HB2 ARG 8 5.621 0.774 -2.968 74 HB3 ARG 8 HB1 ARG 8 4.299 1.742 -3.613 75 HG2 ARG 8 HG2 ARG 8 5.539 3.783 -2.940 76 HG3 ARG 8 HG1 ARG 8 6.896 2.755 -2.469 77 HD2 ARG 8 HD2 ARG 8 7.255 3.647 -4.698 78 HD3 ARG 8 HD1 ARG 8 7.009 1.903 -4.781 79 HE ARG 8 HE ARG 8 4.946 2.248 -5.816 80 HH11 ARG 8 HH11 ARG 8 6.472 5.290 -4.983 81 HH12 ARG 8 HH12 ARG 8 5.437 6.233 -6.005 82 HH21 ARG 8 HH21 ARG 8 3.574 3.506 -7.165 83 HH22 ARG 8 HH22 ARG 8 3.804 5.226 -7.250 84 H GLY 9 HN GLY 9 4.694 -0.622 -0.700 85 HA2 GLY 9 HA2 GLY 9 2.040 -1.507 -1.277 86 HA3 GLY 9 HA1 GLY 9 3.240 -2.381 -0.328 87 H TYR 10 HN TYR 10 3.246 0.482 1.087 88 HA TYR 10 HA TYR 10 1.222 -0.191 3.050 89 HB2 TYR 10 HB2 TYR 10 3.131 0.428 4.183 90 HB3 TYR 10 HB1 TYR 10 3.628 1.554 2.935 91 HD1 TYR 10 HD1 TYR 10 0.791 1.247 5.379 92 HD2 TYR 10 HD2 TYR 10 3.709 3.716 3.530 93 HE1 TYR 10 HE1 TYR 10 0.057 3.138 6.768 94 HE2 TYR 10 HE2 TYR 10 2.989 5.620 4.907 95 HH TYR 10 HH TYR 10 1.013 6.350 6.150 96 H TRP 11 HN TRP 11 2.161 2.784 1.238 97 HA TRP 11 HA TRP 11 -0.369 3.919 1.999 98 HB2 TRP 11 HB2 TRP 11 0.377 5.978 0.934 99 HB3 TRP 11 HB1 TRP 11 1.559 5.360 2.073 100 HD1 TRP 11 HD1 TRP 11 3.847 4.318 0.966 101 HE1 TRP 11 HE1 TRP 11 5.049 4.970 -1.221 102 HE3 TRP 11 HE3 TRP 11 -0.000 6.697 -1.379 103 HZ2 TRP 11 HZ2 TRP 11 4.437 6.322 -3.621 104 HZ3 TRP 11 HZ3 TRP 11 0.384 7.659 -3.614 105 HH2 TRP 11 HH2 TRP 11 2.558 7.471 -4.712 106 H LEU 12 HN LEU 12 0.833 2.391 -0.908 107 HA LEU 12 HA LEU 12 -1.202 3.556 -2.594 108 HB2 LEU 12 HB2 LEU 12 0.603 1.170 -3.006 109 HB3 LEU 12 HB1 LEU 12 -0.518 1.774 -4.211 110 HG LEU 12 HG LEU 12 1.801 3.337 -3.077 111 HD11 LEU 12 HD11 LEU 12 1.470 2.003 -5.764 112 HD12 LEU 12 HD12 LEU 12 2.500 1.421 -4.458 113 HD13 LEU 12 HD13 LEU 12 2.851 2.965 -5.236 114 HD21 LEU 12 HD21 LEU 12 1.299 4.870 -4.933 115 HD22 LEU 12 HD22 LEU 12 -0.022 4.755 -3.770 116 HD23 LEU 12 HD23 LEU 12 -0.131 3.911 -5.316 117 H THR 13 HN THR 13 -0.635 0.675 -0.786 118 HA THR 13 HA THR 13 -2.987 -0.707 -1.515 119 HB THR 13 HB THR 13 -0.860 -0.984 0.593 120 HG1 THR 13 HG1 THR 13 -0.753 -3.051 -0.845 121 HG21 THR 13 HG21 THR 13 -2.906 -1.864 1.525 122 HG22 THR 13 HG22 THR 13 -1.756 -3.148 1.168 123 HG23 THR 13 HG23 THR 13 -3.135 -2.876 0.103 124 H ASN 14 HN ASN 14 -2.390 1.959 0.458 125 HA ASN 14 HA ASN 14 -4.719 1.443 2.155 126 HB2 ASN 14 HB2 ASN 14 -2.355 3.202 2.357 127 HB3 ASN 14 HB1 ASN 14 -3.858 3.822 3.015 128 HD21 ASN 14 HD21 ASN 14 -1.416 3.071 4.387 129 HD22 ASN 14 HD22 ASN 14 -1.853 1.842 5.521 130 H LYS 15 HN LYS 15 -3.425 4.001 0.021 131 HA LYS 15 HA LYS 15 -5.660 5.683 0.187 132 HB2 LYS 15 HB2 LYS 15 -4.770 6.782 -1.828 133 HB3 LYS 15 HB1 LYS 15 -3.540 6.511 -0.610 134 HG2 LYS 15 HG2 LYS 15 -2.433 5.939 -2.531 135 HG3 LYS 15 HG1 LYS 15 -3.022 4.370 -1.983 136 HD2 LYS 15 HD2 LYS 15 -4.961 4.621 -3.500 137 HD3 LYS 15 HD1 LYS 15 -4.255 6.123 -4.103 138 HE2 LYS 15 HE2 LYS 15 -2.246 4.859 -4.793 139 HE3 LYS 15 HE1 LYS 15 -3.030 3.371 -4.268 140 HZ1 LYS 15 HZ1 LYS 15 -4.780 3.794 -5.899 141 HZ2 LYS 15 HZ2 LYS 15 -3.265 3.658 -6.631 142 HZ3 LYS 15 HZ3 LYS 15 -3.967 5.180 -6.424 143 H VAL 16 HN VAL 16 -5.094 2.866 -1.670 144 HA VAL 16 HA VAL 16 -7.101 3.125 -3.602 145 HB VAL 16 HB VAL 16 -5.438 1.409 -3.841 146 HG11 VAL 16 HG11 VAL 16 -5.218 -0.469 -2.346 147 HG12 VAL 16 HG12 VAL 16 -6.575 0.098 -1.375 148 HG13 VAL 16 HG13 VAL 16 -5.072 1.026 -1.413 149 HG21 VAL 16 HG21 VAL 16 -7.605 0.934 -4.839 150 HG22 VAL 16 HG22 VAL 16 -8.147 0.178 -3.342 151 HG23 VAL 16 HG23 VAL 16 -6.844 -0.555 -4.278 152 HA PRO 17 HA PRO 17 -10.596 2.707 -0.796 153 HB2 PRO 17 HB2 PRO 17 -12.476 3.219 -2.697 154 HB3 PRO 17 HB1 PRO 17 -11.580 4.492 -1.860 155 HG2 PRO 17 HG2 PRO 17 -11.142 3.338 -4.580 156 HG3 PRO 17 HG1 PRO 17 -11.025 5.024 -4.043 157 HD2 PRO 17 HD2 PRO 17 -8.848 3.424 -4.417 158 HD3 PRO 17 HD1 PRO 17 -8.889 4.747 -3.242 159 H ILE 18 HN ILE 18 -11.077 0.697 -0.286 160 HA ILE 18 HA ILE 18 -11.435 -1.308 -2.377 161 HB ILE 18 HB ILE 18 -11.464 -2.939 -0.466 162 HG12 ILE 18 HG12 ILE 18 -10.628 -0.517 1.148 163 HG13 ILE 18 HG11 ILE 18 -12.185 -1.327 1.278 164 HG21 ILE 18 HG21 ILE 18 -9.049 -2.810 -0.065 165 HG22 ILE 18 HG22 ILE 18 -9.035 -1.170 -0.713 166 HG23 ILE 18 HG23 ILE 18 -9.448 -2.529 -1.760 167 HD11 ILE 18 HD11 ILE 18 -10.713 -1.983 3.080 168 HD12 ILE 18 HD12 ILE 18 -9.500 -2.523 1.919 169 HD13 ILE 18 HD13 ILE 18 -11.050 -3.358 2.031 170 H LYS 19 HN LYS 19 -13.367 0.670 -2.065 171 HA LYS 19 HA LYS 19 -15.665 -0.818 -0.988 172 HB2 LYS 19 HB2 LYS 19 -15.487 2.137 -1.605 173 HB3 LYS 19 HB1 LYS 19 -16.806 1.307 -0.793 174 HG2 LYS 19 HG2 LYS 19 -15.267 0.738 1.052 175 HG3 LYS 19 HG1 LYS 19 -14.004 1.666 0.246 176 HD2 LYS 19 HD2 LYS 19 -14.965 3.058 1.931 177 HD3 LYS 19 HD1 LYS 19 -15.514 3.660 0.368 178 HE2 LYS 19 HE2 LYS 19 -17.351 3.631 1.954 179 HE3 LYS 19 HE1 LYS 19 -17.638 2.465 0.666 180 HZ1 LYS 19 HZ1 LYS 19 -18.195 1.461 2.733 181 HZ2 LYS 19 HZ2 LYS 19 -16.715 1.887 3.425 182 HZ3 LYS 19 HZ3 LYS 19 -16.768 0.733 2.193 183 H ARG 20 HN ARG 20 -14.142 0.294 -3.787 184 HA ARG 20 HA ARG 20 -16.570 0.196 -5.403 185 HB2 ARG 20 HB2 ARG 20 -15.051 1.017 -7.230 186 HB3 ARG 20 HB1 ARG 20 -15.236 2.111 -5.869 187 HG2 ARG 20 HG2 ARG 20 -13.075 1.315 -4.977 188 HG3 ARG 20 HG1 ARG 20 -12.888 0.305 -6.413 189 HD2 ARG 20 HD2 ARG 20 -11.654 2.406 -6.624 190 HD3 ARG 20 HD1 ARG 20 -12.938 2.285 -7.827 191 HE ARG 20 HE ARG 20 -13.993 3.628 -5.636 192 HH11 ARG 20 HH11 ARG 20 -11.444 4.127 -7.975 193 HH12 ARG 20 HH12 ARG 20 -11.608 5.855 -7.970 194 HH21 ARG 20 HH21 ARG 20 -14.223 5.891 -5.633 195 HH22 ARG 20 HH22 ARG 20 -13.193 6.859 -6.636 196 HA PRO 21 HA PRO 21 -15.167 -3.935 -6.557 197 HB2 PRO 21 HB2 PRO 21 -17.690 -4.578 -7.612 198 HB3 PRO 21 HB1 PRO 21 -17.103 -4.963 -5.998 199 HG2 PRO 21 HG2 PRO 21 -19.181 -3.174 -6.682 200 HG3 PRO 21 HG1 PRO 21 -18.471 -3.428 -5.083 201 HD2 PRO 21 HD2 PRO 21 -18.006 -1.260 -7.029 202 HD3 PRO 21 HD1 PRO 21 -17.802 -1.270 -5.267 203 H SER 22 HN SER 22 -14.428 -1.856 -8.198 204 HA SER 22 HA SER 22 -13.951 -1.238 -10.321 205 HB2 SER 22 HB2 SER 22 -14.710 -4.098 -10.962 206 HB3 SER 22 HB1 SER 22 -13.785 -3.019 -12.006 207 HG SER 22 HG SER 22 -12.218 -4.061 -10.973 Start of MODEL 13 1 H1 LEU 1 HT1 LEU 1 9.124 -8.071 4.226 2 H2 LEU 1 HT2 LEU 1 9.108 -6.906 3.009 3 H3 LEU 1 HT3 LEU 1 10.038 -6.661 4.397 4 HA LEU 1 HA LEU 1 11.425 -8.524 3.843 5 HB2 LEU 1 HB2 LEU 1 11.204 -9.427 1.480 6 HB3 LEU 1 HB1 LEU 1 10.031 -9.971 2.659 7 HG LEU 1 HG LEU 1 8.501 -8.131 1.686 8 HD11 LEU 1 HD11 LEU 1 8.913 -7.594 -0.657 9 HD12 LEU 1 HD12 LEU 1 10.472 -8.413 -0.574 10 HD13 LEU 1 HD13 LEU 1 10.187 -6.960 0.385 11 HD21 LEU 1 HD21 LEU 1 7.731 -9.652 -0.075 12 HD22 LEU 1 HD22 LEU 1 8.092 -10.506 1.424 13 HD23 LEU 1 HD23 LEU 1 9.226 -10.573 0.076 14 H ARG 2 HN ARG 2 10.342 -5.617 2.401 15 HA ARG 2 HA ARG 2 13.103 -4.883 1.907 16 HB2 ARG 2 HB2 ARG 2 11.944 -5.845 -0.271 17 HB3 ARG 2 HB1 ARG 2 11.173 -4.263 -0.293 18 HG2 ARG 2 HG2 ARG 2 13.111 -4.239 -1.718 19 HG3 ARG 2 HG1 ARG 2 13.390 -3.204 -0.317 20 HD2 ARG 2 HD2 ARG 2 14.631 -5.078 0.750 21 HD3 ARG 2 HD1 ARG 2 14.447 -5.996 -0.743 22 HE ARG 2 HE ARG 2 15.600 -3.698 -1.579 23 HH11 ARG 2 HH11 ARG 2 16.431 -6.017 0.917 24 HH12 ARG 2 HH12 ARG 2 18.129 -5.675 0.837 25 HH21 ARG 2 HH21 ARG 2 17.834 -3.261 -1.684 26 HH22 ARG 2 HH22 ARG 2 18.929 -4.115 -0.642 27 H LEU 3 HN LEU 3 13.138 -2.413 1.305 28 HA LEU 3 HA LEU 3 11.394 -1.197 3.245 29 HB2 LEU 3 HB2 LEU 3 13.712 -0.542 3.253 30 HB3 LEU 3 HB1 LEU 3 13.615 -0.044 1.575 31 HG LEU 3 HG LEU 3 12.123 1.788 2.172 32 HD11 LEU 3 HD11 LEU 3 12.450 0.814 5.005 33 HD12 LEU 3 HD12 LEU 3 10.972 0.739 4.040 34 HD13 LEU 3 HD13 LEU 3 11.645 2.302 4.509 35 HD21 LEU 3 HD21 LEU 3 13.707 3.151 3.419 36 HD22 LEU 3 HD22 LEU 3 14.539 2.163 2.218 37 HD23 LEU 3 HD23 LEU 3 14.577 1.701 3.919 38 H ILE 4 HN ILE 4 12.248 -0.171 -0.035 39 HA ILE 4 HA ILE 4 10.208 1.722 -0.222 40 HB ILE 4 HB ILE 4 11.829 0.350 -2.336 41 HG12 ILE 4 HG12 ILE 4 13.025 1.786 -0.738 42 HG13 ILE 4 HG11 ILE 4 13.050 2.463 -2.363 43 HG21 ILE 4 HG21 ILE 4 9.777 1.065 -3.392 44 HG22 ILE 4 HG22 ILE 4 11.102 2.122 -3.880 45 HG23 ILE 4 HG23 ILE 4 9.937 2.668 -2.673 46 HD11 ILE 4 HD11 ILE 4 11.221 3.988 -1.709 47 HD12 ILE 4 HD12 ILE 4 12.689 4.210 -0.761 48 HD13 ILE 4 HD13 ILE 4 11.319 3.347 -0.068 49 H HIS 5 HN HIS 5 10.210 -1.678 -1.012 50 HA HIS 5 HA HIS 5 7.759 -1.559 -2.511 51 HB2 HIS 5 HB2 HIS 5 9.194 -3.968 -1.370 52 HB3 HIS 5 HB1 HIS 5 7.884 -4.010 -2.547 53 HD1 HIS 5 HD1 HIS 5 8.586 -3.992 -4.946 54 HD2 HIS 5 HD2 HIS 5 11.551 -2.575 -2.407 55 HE1 HIS 5 HE1 HIS 5 10.586 -3.574 -6.411 56 HE2 HIS 5 HE2 HIS 5 12.323 -2.592 -4.879 57 H ALA 6 HN ALA 6 8.651 -1.766 0.762 58 HA ALA 6 HA ALA 6 6.097 -2.784 1.676 59 HB1 ALA 6 HB1 ALA 6 8.204 -3.288 2.885 60 HB2 ALA 6 HB2 ALA 6 7.014 -2.471 3.901 61 HB3 ALA 6 HB3 ALA 6 8.380 -1.567 3.238 62 H VAL 7 HN VAL 7 7.915 0.167 1.396 63 HA VAL 7 HA VAL 7 6.164 1.955 2.619 64 HB VAL 7 HB VAL 7 8.195 2.280 0.423 65 HG11 VAL 7 HG11 VAL 7 6.464 4.414 1.657 66 HG12 VAL 7 HG12 VAL 7 6.653 4.018 -0.058 67 HG13 VAL 7 HG13 VAL 7 7.987 4.755 0.834 68 HG21 VAL 7 HG21 VAL 7 8.121 3.052 3.328 69 HG22 VAL 7 HG22 VAL 7 9.415 3.488 2.209 70 HG23 VAL 7 HG23 VAL 7 9.102 1.791 2.581 71 H ARG 8 HN ARG 8 6.577 1.325 -0.852 72 HA ARG 8 HA ARG 8 4.360 2.880 -1.605 73 HB2 ARG 8 HB2 ARG 8 5.819 0.681 -3.061 74 HB3 ARG 8 HB1 ARG 8 4.621 1.739 -3.807 75 HG2 ARG 8 HG2 ARG 8 6.016 3.681 -3.259 76 HG3 ARG 8 HG1 ARG 8 7.219 2.605 -2.549 77 HD2 ARG 8 HD2 ARG 8 7.883 3.214 -4.795 78 HD3 ARG 8 HD1 ARG 8 7.491 1.500 -4.729 79 HE ARG 8 HE ARG 8 5.192 2.851 -5.527 80 HH11 ARG 8 HH11 ARG 8 8.429 2.284 -6.718 81 HH12 ARG 8 HH12 ARG 8 7.966 2.351 -8.387 82 HH21 ARG 8 HH21 ARG 8 4.580 2.974 -7.738 83 HH22 ARG 8 HH22 ARG 8 5.785 2.762 -8.968 84 H GLY 9 HN GLY 9 4.720 -0.565 -0.967 85 HA2 GLY 9 HA2 GLY 9 2.044 -1.250 -1.654 86 HA3 GLY 9 HA1 GLY 9 3.145 -2.221 -0.685 87 H TYR 10 HN TYR 10 3.327 0.471 0.939 88 HA TYR 10 HA TYR 10 1.336 -0.282 2.878 89 HB2 TYR 10 HB2 TYR 10 3.223 0.358 4.012 90 HB3 TYR 10 HB1 TYR 10 3.709 1.491 2.768 91 HD1 TYR 10 HD1 TYR 10 3.702 3.692 3.270 92 HD2 TYR 10 HD2 TYR 10 1.031 1.144 5.378 93 HE1 TYR 10 HE1 TYR 10 3.013 5.589 4.669 94 HE2 TYR 10 HE2 TYR 10 0.329 3.038 6.784 95 HH TYR 10 HH TYR 10 1.162 5.188 7.513 96 H TRP 11 HN TRP 11 2.077 2.750 1.086 97 HA TRP 11 HA TRP 11 -0.439 3.805 2.002 98 HB2 TRP 11 HB2 TRP 11 0.155 5.859 0.759 99 HB3 TRP 11 HB1 TRP 11 1.361 5.365 1.933 100 HD1 TRP 11 HD1 TRP 11 3.637 4.200 0.848 101 HE1 TRP 11 HE1 TRP 11 4.847 4.789 -1.348 102 HE3 TRP 11 HE3 TRP 11 -0.165 6.638 -1.545 103 HZ2 TRP 11 HZ2 TRP 11 4.264 6.100 -3.766 104 HZ3 TRP 11 HZ3 TRP 11 0.245 7.536 -3.798 105 HH2 TRP 11 HH2 TRP 11 2.416 7.273 -4.884 106 H LEU 12 HN LEU 12 0.770 2.539 -1.068 107 HA LEU 12 HA LEU 12 -1.384 3.421 -2.655 108 HB2 LEU 12 HB2 LEU 12 0.393 1.005 -2.952 109 HB3 LEU 12 HB1 LEU 12 -0.754 1.531 -4.168 110 HG LEU 12 HG LEU 12 1.547 3.201 -3.169 111 HD11 LEU 12 HD11 LEU 12 2.368 1.243 -4.363 112 HD12 LEU 12 HD12 LEU 12 2.596 2.701 -5.328 113 HD13 LEU 12 HD13 LEU 12 1.281 1.590 -5.706 114 HD21 LEU 12 HD21 LEU 12 -0.355 3.557 -5.483 115 HD22 LEU 12 HD22 LEU 12 1.039 4.579 -5.137 116 HD23 LEU 12 HD23 LEU 12 -0.310 4.518 -4.006 117 H THR 13 HN THR 13 -1.064 0.742 -0.468 118 HA THR 13 HA THR 13 -3.504 -0.532 -1.388 119 HB THR 13 HB THR 13 -1.314 -1.602 -0.319 120 HG1 THR 13 HG1 THR 13 -2.673 -3.138 -0.905 121 HG21 THR 13 HG21 THR 13 -3.111 -1.148 2.056 122 HG22 THR 13 HG22 THR 13 -1.468 -0.541 1.840 123 HG23 THR 13 HG23 THR 13 -1.752 -2.272 2.022 124 H ASN 14 HN ASN 14 -2.723 2.006 0.613 125 HA ASN 14 HA ASN 14 -4.968 1.539 2.432 126 HB2 ASN 14 HB2 ASN 14 -2.391 2.898 2.652 127 HB3 ASN 14 HB1 ASN 14 -3.740 3.765 3.387 128 HD21 ASN 14 HD21 ASN 14 -1.664 1.032 3.549 129 HD22 ASN 14 HD22 ASN 14 -2.234 0.409 5.062 130 H LYS 15 HN LYS 15 -3.673 4.012 0.230 131 HA LYS 15 HA LYS 15 -5.591 6.007 0.711 132 HB2 LYS 15 HB2 LYS 15 -4.256 5.444 -1.940 133 HB3 LYS 15 HB1 LYS 15 -4.919 6.977 -1.396 134 HG2 LYS 15 HG2 LYS 15 -2.566 5.556 -0.187 135 HG3 LYS 15 HG1 LYS 15 -2.480 6.935 -1.290 136 HD2 LYS 15 HD2 LYS 15 -3.737 8.289 0.348 137 HD3 LYS 15 HD1 LYS 15 -3.742 6.915 1.455 138 HE2 LYS 15 HE2 LYS 15 -1.285 6.954 1.484 139 HE3 LYS 15 HE1 LYS 15 -1.304 8.354 0.413 140 HZ1 LYS 15 HZ1 LYS 15 -1.014 8.971 2.744 141 HZ2 LYS 15 HZ2 LYS 15 -2.502 8.265 3.130 142 HZ3 LYS 15 HZ3 LYS 15 -2.442 9.611 2.112 143 H VAL 16 HN VAL 16 -5.561 3.290 -1.439 144 HA VAL 16 HA VAL 16 -7.866 3.696 -2.903 145 HB VAL 16 HB VAL 16 -6.458 1.942 -3.573 146 HG11 VAL 16 HG11 VAL 16 -5.773 0.095 -2.153 147 HG12 VAL 16 HG12 VAL 16 -6.766 0.714 -0.833 148 HG13 VAL 16 HG13 VAL 16 -5.362 1.634 -1.382 149 HG21 VAL 16 HG21 VAL 16 -8.800 1.374 -3.889 150 HG22 VAL 16 HG22 VAL 16 -8.869 0.665 -2.275 151 HG23 VAL 16 HG23 VAL 16 -7.866 -0.078 -3.524 152 HA PRO 17 HA PRO 17 -10.855 3.436 0.467 153 HB2 PRO 17 HB2 PRO 17 -12.999 4.034 -1.114 154 HB3 PRO 17 HB1 PRO 17 -11.924 5.257 -0.425 155 HG2 PRO 17 HG2 PRO 17 -11.959 4.096 -3.178 156 HG3 PRO 17 HG1 PRO 17 -11.704 5.775 -2.670 157 HD2 PRO 17 HD2 PRO 17 -9.664 4.146 -3.375 158 HD3 PRO 17 HD1 PRO 17 -9.487 5.416 -2.152 159 H ILE 18 HN ILE 18 -11.404 1.493 1.102 160 HA ILE 18 HA ILE 18 -12.110 -0.561 -0.823 161 HB ILE 18 HB ILE 18 -12.136 -2.081 1.163 162 HG12 ILE 18 HG12 ILE 18 -11.112 0.369 2.620 163 HG13 ILE 18 HG11 ILE 18 -12.690 -0.371 2.865 164 HG21 ILE 18 HG21 ILE 18 -9.702 -2.068 1.468 165 HG22 ILE 18 HG22 ILE 18 -9.626 -0.465 0.736 166 HG23 ILE 18 HG23 ILE 18 -10.155 -1.848 -0.222 167 HD11 ILE 18 HD11 ILE 18 -11.598 -2.410 3.657 168 HD12 ILE 18 HD12 ILE 18 -11.150 -1.002 4.621 169 HD13 ILE 18 HD13 ILE 18 -10.025 -1.648 3.427 170 H LYS 19 HN LYS 19 -13.965 1.396 -0.820 171 HA LYS 19 HA LYS 19 -16.202 0.417 0.813 172 HB2 LYS 19 HB2 LYS 19 -15.818 3.020 -0.661 173 HB3 LYS 19 HB1 LYS 19 -17.282 2.565 0.192 174 HG2 LYS 19 HG2 LYS 19 -15.959 2.396 2.279 175 HG3 LYS 19 HG1 LYS 19 -14.556 2.987 1.390 176 HD2 LYS 19 HD2 LYS 19 -15.607 4.808 2.597 177 HD3 LYS 19 HD1 LYS 19 -15.787 5.048 0.858 178 HE2 LYS 19 HE2 LYS 19 -17.851 5.557 2.099 179 HE3 LYS 19 HE1 LYS 19 -18.068 4.243 0.945 180 HZ1 LYS 19 HZ1 LYS 19 -19.107 3.826 3.122 181 HZ2 LYS 19 HZ2 LYS 19 -17.581 3.863 3.850 182 HZ3 LYS 19 HZ3 LYS 19 -17.951 2.657 2.722 183 H ARG 20 HN ARG 20 -14.934 -0.062 -2.109 184 HA ARG 20 HA ARG 20 -17.408 -0.094 -3.633 185 HB2 ARG 20 HB2 ARG 20 -14.648 -1.003 -4.459 186 HB3 ARG 20 HB1 ARG 20 -16.002 -0.670 -5.511 187 HG2 ARG 20 HG2 ARG 20 -14.504 1.349 -3.868 188 HG3 ARG 20 HG1 ARG 20 -14.393 1.127 -5.614 189 HD2 ARG 20 HD2 ARG 20 -16.775 1.706 -5.817 190 HD3 ARG 20 HD1 ARG 20 -16.848 1.969 -4.076 191 HE ARG 20 HE ARG 20 -14.815 3.531 -5.340 192 HH11 ARG 20 HH11 ARG 20 -18.238 3.402 -4.623 193 HH12 ARG 20 HH12 ARG 20 -18.449 5.121 -4.736 194 HH21 ARG 20 HH21 ARG 20 -15.091 5.785 -5.484 195 HH22 ARG 20 HH22 ARG 20 -16.662 6.476 -5.217 196 HA PRO 21 HA PRO 21 -17.944 -4.457 -3.027 197 HB2 PRO 21 HB2 PRO 21 -19.122 -5.259 -5.311 198 HB3 PRO 21 HB1 PRO 21 -19.915 -4.161 -4.180 199 HG2 PRO 21 HG2 PRO 21 -18.697 -3.596 -6.813 200 HG3 PRO 21 HG1 PRO 21 -20.009 -2.755 -5.974 201 HD2 PRO 21 HD2 PRO 21 -17.279 -1.988 -6.119 202 HD3 PRO 21 HD1 PRO 21 -18.552 -1.230 -5.150 203 H SER 22 HN SER 22 -15.301 -3.775 -3.948 204 HA SER 22 HA SER 22 -14.538 -6.329 -5.114 205 HB2 SER 22 HB2 SER 22 -12.978 -5.130 -6.700 206 HB3 SER 22 HB1 SER 22 -14.690 -4.944 -7.082 207 HG SER 22 HG SER 22 -13.199 -3.073 -5.555 Start of MODEL 14 1 H1 LEU 1 HT1 LEU 1 13.190 -8.223 3.406 2 H2 LEU 1 HT2 LEU 1 11.885 -8.662 4.384 3 H3 LEU 1 HT3 LEU 1 12.768 -7.261 4.729 4 HA LEU 1 HA LEU 1 11.194 -7.699 2.270 5 HB2 LEU 1 HB2 LEU 1 9.580 -6.118 3.168 6 HB3 LEU 1 HB1 LEU 1 9.722 -7.512 4.218 7 HG LEU 1 HG LEU 1 11.297 -5.044 4.854 8 HD11 LEU 1 HD11 LEU 1 8.379 -5.476 5.482 9 HD12 LEU 1 HD12 LEU 1 9.053 -4.210 4.454 10 HD13 LEU 1 HD13 LEU 1 9.400 -4.220 6.183 11 HD21 LEU 1 HD21 LEU 1 9.950 -7.139 6.556 12 HD22 LEU 1 HD22 LEU 1 10.975 -5.826 7.134 13 HD23 LEU 1 HD23 LEU 1 11.662 -7.106 6.136 14 H ARG 2 HN ARG 2 11.285 -6.034 0.795 15 HA ARG 2 HA ARG 2 13.541 -4.244 1.098 16 HB2 ARG 2 HB2 ARG 2 12.833 -5.505 -1.035 17 HB3 ARG 2 HB1 ARG 2 11.622 -4.245 -1.199 18 HG2 ARG 2 HG2 ARG 2 13.629 -3.825 -2.548 19 HG3 ARG 2 HG1 ARG 2 13.335 -2.561 -1.359 20 HD2 ARG 2 HD2 ARG 2 15.707 -3.160 -1.477 21 HD3 ARG 2 HD1 ARG 2 15.028 -3.536 0.105 22 HE ARG 2 HE ARG 2 15.278 -5.634 -1.946 23 HH11 ARG 2 HH11 ARG 2 16.088 -4.377 1.225 24 HH12 ARG 2 HH12 ARG 2 16.838 -5.847 1.751 25 HH21 ARG 2 HH21 ARG 2 16.271 -7.558 -1.253 26 HH22 ARG 2 HH22 ARG 2 16.955 -7.656 0.339 27 H LEU 3 HN LEU 3 13.394 -2.285 1.814 28 HA LEU 3 HA LEU 3 11.252 -1.359 3.200 29 HB2 LEU 3 HB2 LEU 3 13.408 -0.464 3.615 30 HB3 LEU 3 HB1 LEU 3 13.542 0.136 1.973 31 HG LEU 3 HG LEU 3 11.822 1.818 2.435 32 HD11 LEU 3 HD11 LEU 3 10.533 0.597 4.088 33 HD12 LEU 3 HD12 LEU 3 11.027 2.170 4.714 34 HD13 LEU 3 HD13 LEU 3 11.869 0.710 5.234 35 HD21 LEU 3 HD21 LEU 3 14.175 2.362 2.807 36 HD22 LEU 3 HD22 LEU 3 14.041 1.803 4.474 37 HD23 LEU 3 HD23 LEU 3 13.128 3.213 3.941 38 H ILE 4 HN ILE 4 12.261 -0.025 0.094 39 HA ILE 4 HA ILE 4 10.206 1.842 -0.128 40 HB ILE 4 HB ILE 4 11.958 0.538 -2.172 41 HG12 ILE 4 HG12 ILE 4 12.980 1.998 -0.458 42 HG13 ILE 4 HG11 ILE 4 13.157 2.642 -2.088 43 HG21 ILE 4 HG21 ILE 4 9.967 2.752 -2.599 44 HG22 ILE 4 HG22 ILE 4 10.008 1.176 -3.395 45 HG23 ILE 4 HG23 ILE 4 11.272 2.363 -3.719 46 HD11 ILE 4 HD11 ILE 4 11.225 3.555 0.025 47 HD12 ILE 4 HD12 ILE 4 11.243 4.147 -1.634 48 HD13 ILE 4 HD13 ILE 4 12.632 4.425 -0.586 49 H HIS 5 HN HIS 5 10.255 -1.541 -0.929 50 HA HIS 5 HA HIS 5 7.920 -1.392 -2.634 51 HB2 HIS 5 HB2 HIS 5 9.326 -3.828 -1.507 52 HB3 HIS 5 HB1 HIS 5 8.113 -3.829 -2.785 53 HD1 HIS 5 HD1 HIS 5 9.213 -4.156 -4.995 54 HD2 HIS 5 HD2 HIS 5 11.533 -1.893 -2.402 55 HE1 HIS 5 HE1 HIS 5 11.267 -3.508 -6.296 56 HE2 HIS 5 HE2 HIS 5 12.557 -1.995 -4.773 57 H ALA 6 HN ALA 6 8.619 -1.723 0.669 58 HA ALA 6 HA ALA 6 6.010 -2.799 1.341 59 HB1 ALA 6 HB1 ALA 6 6.797 -2.712 3.639 60 HB2 ALA 6 HB2 ALA 6 8.221 -1.800 3.135 61 HB3 ALA 6 HB3 ALA 6 8.022 -3.476 2.622 62 H VAL 7 HN VAL 7 7.882 0.145 1.480 63 HA VAL 7 HA VAL 7 6.081 1.882 2.657 64 HB VAL 7 HB VAL 7 8.121 2.253 0.477 65 HG11 VAL 7 HG11 VAL 7 6.284 4.355 1.605 66 HG12 VAL 7 HG12 VAL 7 6.541 3.926 -0.094 67 HG13 VAL 7 HG13 VAL 7 7.819 4.733 0.822 68 HG21 VAL 7 HG21 VAL 7 9.283 3.522 2.232 69 HG22 VAL 7 HG22 VAL 7 8.968 1.847 2.685 70 HG23 VAL 7 HG23 VAL 7 7.967 3.141 3.345 71 H ARG 8 HN ARG 8 6.507 1.156 -0.762 72 HA ARG 8 HA ARG 8 4.322 2.674 -1.646 73 HB2 ARG 8 HB2 ARG 8 5.887 0.426 -2.876 74 HB3 ARG 8 HB1 ARG 8 4.662 1.343 -3.763 75 HG2 ARG 8 HG2 ARG 8 5.936 3.418 -3.264 76 HG3 ARG 8 HG1 ARG 8 7.188 2.426 -2.518 77 HD2 ARG 8 HD2 ARG 8 7.440 1.231 -4.693 78 HD3 ARG 8 HD1 ARG 8 6.304 2.378 -5.402 79 HE ARG 8 HE ARG 8 8.453 3.725 -4.125 80 HH11 ARG 8 HH11 ARG 8 7.599 1.980 -7.044 81 HH12 ARG 8 HH12 ARG 8 8.850 2.709 -7.998 82 HH21 ARG 8 HH21 ARG 8 10.106 4.679 -5.384 83 HH22 ARG 8 HH22 ARG 8 10.281 4.235 -7.051 84 H GLY 9 HN GLY 9 4.651 -0.744 -0.822 85 HA2 GLY 9 HA2 GLY 9 1.938 -1.383 -1.480 86 HA3 GLY 9 HA1 GLY 9 3.041 -2.382 -0.541 87 H TYR 10 HN TYR 10 3.208 0.473 0.939 88 HA TYR 10 HA TYR 10 1.222 -0.226 2.926 89 HB2 TYR 10 HB2 TYR 10 3.134 0.377 4.049 90 HB3 TYR 10 HB1 TYR 10 3.636 1.503 2.802 91 HD1 TYR 10 HD1 TYR 10 0.994 1.163 5.443 92 HD2 TYR 10 HD2 TYR 10 3.583 3.720 3.248 93 HE1 TYR 10 HE1 TYR 10 0.287 3.066 6.837 94 HE2 TYR 10 HE2 TYR 10 2.894 5.627 4.627 95 HH TYR 10 HH TYR 10 1.185 5.278 7.528 96 H TRP 11 HN TRP 11 2.083 2.729 1.057 97 HA TRP 11 HA TRP 11 -0.408 3.901 1.896 98 HB2 TRP 11 HB2 TRP 11 0.265 5.895 0.624 99 HB3 TRP 11 HB1 TRP 11 1.478 5.378 1.780 100 HD1 TRP 11 HD1 TRP 11 3.687 4.127 0.675 101 HE1 TRP 11 HE1 TRP 11 4.865 4.619 -1.559 102 HE3 TRP 11 HE3 TRP 11 -0.084 6.626 -1.697 103 HZ2 TRP 11 HZ2 TRP 11 4.279 5.895 -3.991 104 HZ3 TRP 11 HZ3 TRP 11 0.310 7.460 -3.979 105 HH2 TRP 11 HH2 TRP 11 2.447 7.103 -5.103 106 H LEU 12 HN LEU 12 0.822 2.529 -1.134 107 HA LEU 12 HA LEU 12 -1.329 3.379 -2.754 108 HB2 LEU 12 HB2 LEU 12 0.441 0.946 -2.985 109 HB3 LEU 12 HB1 LEU 12 -0.702 1.448 -4.217 110 HG LEU 12 HG LEU 12 1.611 3.129 -3.263 111 HD11 LEU 12 HD11 LEU 12 2.661 2.544 -5.397 112 HD12 LEU 12 HD12 LEU 12 1.331 1.440 -5.748 113 HD13 LEU 12 HD13 LEU 12 2.408 1.119 -4.390 114 HD21 LEU 12 HD21 LEU 12 1.117 4.431 -5.294 115 HD22 LEU 12 HD22 LEU 12 -0.214 4.445 -4.139 116 HD23 LEU 12 HD23 LEU 12 -0.303 3.423 -5.574 117 H THR 13 HN THR 13 -0.997 0.844 -0.446 118 HA THR 13 HA THR 13 -3.428 -0.486 -1.308 119 HB THR 13 HB THR 13 -1.080 -1.354 -0.108 120 HG1 THR 13 HG1 THR 13 -3.296 -3.035 0.060 121 HG21 THR 13 HG21 THR 13 -1.836 -2.481 1.964 122 HG22 THR 13 HG22 THR 13 -3.329 -1.546 1.895 123 HG23 THR 13 HG23 THR 13 -1.783 -0.725 2.110 124 H ASN 14 HN ASN 14 -2.629 2.092 0.670 125 HA ASN 14 HA ASN 14 -4.847 1.609 2.521 126 HB2 ASN 14 HB2 ASN 14 -2.321 3.065 2.695 127 HB3 ASN 14 HB1 ASN 14 -3.701 3.890 3.405 128 HD21 ASN 14 HD21 ASN 14 -1.568 1.180 3.612 129 HD22 ASN 14 HD22 ASN 14 -2.096 0.615 5.162 130 H LYS 15 HN LYS 15 -3.640 4.076 0.258 131 HA LYS 15 HA LYS 15 -5.550 6.061 0.699 132 HB2 LYS 15 HB2 LYS 15 -4.402 5.297 -1.994 133 HB3 LYS 15 HB1 LYS 15 -5.067 6.860 -1.542 134 HG2 LYS 15 HG2 LYS 15 -2.595 5.606 -0.377 135 HG3 LYS 15 HG1 LYS 15 -2.627 6.877 -1.604 136 HD2 LYS 15 HD2 LYS 15 -3.768 8.367 -0.029 137 HD3 LYS 15 HD1 LYS 15 -3.738 7.096 1.193 138 HE2 LYS 15 HE2 LYS 15 -1.308 7.114 1.181 139 HE3 LYS 15 HE1 LYS 15 -1.309 8.344 -0.081 140 HZ1 LYS 15 HZ1 LYS 15 -2.423 9.850 1.454 141 HZ2 LYS 15 HZ2 LYS 15 -0.944 9.326 2.080 142 HZ3 LYS 15 HZ3 LYS 15 -2.386 8.669 2.667 143 H VAL 16 HN VAL 16 -5.622 3.261 -1.339 144 HA VAL 16 HA VAL 16 -8.227 3.502 -2.348 145 HB VAL 16 HB VAL 16 -6.718 2.031 -3.447 146 HG11 VAL 16 HG11 VAL 16 -6.430 0.529 -0.842 147 HG12 VAL 16 HG12 VAL 16 -5.245 1.665 -1.487 148 HG13 VAL 16 HG13 VAL 16 -5.605 0.167 -2.360 149 HG21 VAL 16 HG21 VAL 16 -7.890 -0.132 -3.404 150 HG22 VAL 16 HG22 VAL 16 -9.019 1.224 -3.433 151 HG23 VAL 16 HG23 VAL 16 -8.721 0.355 -1.927 152 HA PRO 17 HA PRO 17 -10.285 2.415 1.529 153 HB2 PRO 17 HB2 PRO 17 -12.806 2.641 0.468 154 HB3 PRO 17 HB1 PRO 17 -11.894 3.996 1.139 155 HG2 PRO 17 HG2 PRO 17 -12.306 3.209 -1.705 156 HG3 PRO 17 HG1 PRO 17 -12.205 4.827 -0.990 157 HD2 PRO 17 HD2 PRO 17 -10.151 3.662 -2.351 158 HD3 PRO 17 HD1 PRO 17 -9.906 4.842 -1.054 159 H ILE 18 HN ILE 18 -10.319 0.333 2.020 160 HA ILE 18 HA ILE 18 -10.669 -1.615 -0.085 161 HB ILE 18 HB ILE 18 -10.059 -3.295 1.660 162 HG12 ILE 18 HG12 ILE 18 -9.600 -0.835 3.366 163 HG13 ILE 18 HG11 ILE 18 -10.859 -2.038 3.628 164 HG21 ILE 18 HG21 ILE 18 -7.702 -2.591 1.791 165 HG22 ILE 18 HG22 ILE 18 -8.173 -0.982 1.241 166 HG23 ILE 18 HG23 ILE 18 -8.387 -2.373 0.181 167 HD11 ILE 18 HD11 ILE 18 -8.970 -2.351 5.135 168 HD12 ILE 18 HD12 ILE 18 -7.896 -2.549 3.751 169 HD13 ILE 18 HD13 ILE 18 -9.170 -3.730 4.054 170 H LYS 19 HN LYS 19 -12.937 -0.154 0.632 171 HA LYS 19 HA LYS 19 -14.689 -2.315 1.582 172 HB2 LYS 19 HB2 LYS 19 -15.169 0.666 1.444 173 HB3 LYS 19 HB1 LYS 19 -16.396 -0.513 1.882 174 HG2 LYS 19 HG2 LYS 19 -14.978 -1.212 3.790 175 HG3 LYS 19 HG1 LYS 19 -13.850 0.077 3.375 176 HD2 LYS 19 HD2 LYS 19 -16.753 0.474 4.095 177 HD3 LYS 19 HD1 LYS 19 -15.395 0.704 5.195 178 HE2 LYS 19 HE2 LYS 19 -14.509 2.451 3.710 179 HE3 LYS 19 HE1 LYS 19 -15.896 2.232 2.644 180 HZ1 LYS 19 HZ1 LYS 19 -16.225 4.103 4.111 181 HZ2 LYS 19 HZ2 LYS 19 -16.000 3.126 5.471 182 HZ3 LYS 19 HZ3 LYS 19 -17.344 2.886 4.474 183 H ARG 20 HN ARG 20 -13.551 -0.711 -1.094 184 HA ARG 20 HA ARG 20 -15.939 -1.173 -2.719 185 HB2 ARG 20 HB2 ARG 20 -13.316 0.061 -3.566 186 HB3 ARG 20 HB1 ARG 20 -14.839 0.112 -4.428 187 HG2 ARG 20 HG2 ARG 20 -15.800 1.489 -2.665 188 HG3 ARG 20 HG1 ARG 20 -14.255 1.435 -1.822 189 HD2 ARG 20 HD2 ARG 20 -13.162 2.554 -3.667 190 HD3 ARG 20 HD1 ARG 20 -14.665 2.538 -4.588 191 HE ARG 20 HE ARG 20 -14.991 3.844 -2.083 192 HH11 ARG 20 HH11 ARG 20 -13.707 4.290 -5.308 193 HH12 ARG 20 HH12 ARG 20 -13.918 6.010 -5.294 194 HH21 ARG 20 HH21 ARG 20 -15.266 6.110 -2.051 195 HH22 ARG 20 HH22 ARG 20 -14.793 7.051 -3.429 196 HA PRO 21 HA PRO 21 -13.946 -4.805 -4.515 197 HB2 PRO 21 HB2 PRO 21 -15.672 -4.467 -6.843 198 HB3 PRO 21 HB1 PRO 21 -15.673 -5.758 -5.639 199 HG2 PRO 21 HG2 PRO 21 -17.667 -3.934 -5.834 200 HG3 PRO 21 HG1 PRO 21 -17.200 -4.687 -4.300 201 HD2 PRO 21 HD2 PRO 21 -16.511 -1.977 -5.373 202 HD3 PRO 21 HD1 PRO 21 -16.964 -2.461 -3.723 203 H SER 22 HN SER 22 -12.471 -2.549 -4.761 204 HA SER 22 HA SER 22 -11.952 -2.004 -7.562 205 HB2 SER 22 HB2 SER 22 -11.816 -0.260 -5.716 206 HB3 SER 22 HB1 SER 22 -10.364 -1.082 -5.154 207 HG SER 22 HG SER 22 -10.081 -0.675 -7.753 Start of MODEL 15 1 H1 LEU 1 HT1 LEU 1 8.767 -7.807 2.568 2 H2 LEU 1 HT2 LEU 1 9.294 -6.580 1.535 3 H3 LEU 1 HT3 LEU 1 9.244 -6.319 3.205 4 HA LEU 1 HA LEU 1 10.935 -7.976 3.564 5 HB2 LEU 1 HB2 LEU 1 11.113 -8.071 0.548 6 HB3 LEU 1 HB1 LEU 1 12.157 -8.914 1.671 7 HG LEU 1 HG LEU 1 9.899 -10.021 2.461 8 HD11 LEU 1 HD11 LEU 1 8.346 -10.363 0.607 9 HD12 LEU 1 HD12 LEU 1 9.277 -9.242 -0.384 10 HD13 LEU 1 HD13 LEU 1 8.444 -8.660 1.057 11 HD21 LEU 1 HD21 LEU 1 11.814 -11.207 1.534 12 HD22 LEU 1 HD22 LEU 1 11.305 -10.774 -0.097 13 HD23 LEU 1 HD23 LEU 1 10.303 -11.842 0.886 14 H ARG 2 HN ARG 2 10.865 -5.655 0.874 15 HA ARG 2 HA ARG 2 13.358 -4.475 1.897 16 HB2 ARG 2 HB2 ARG 2 12.872 -5.264 -0.614 17 HB3 ARG 2 HB1 ARG 2 12.179 -3.648 -0.695 18 HG2 ARG 2 HG2 ARG 2 14.477 -3.653 -1.473 19 HG3 ARG 2 HG1 ARG 2 14.299 -2.683 -0.011 20 HD2 ARG 2 HD2 ARG 2 16.328 -4.173 -0.068 21 HD3 ARG 2 HD1 ARG 2 15.290 -4.357 1.342 22 HE ARG 2 HE ARG 2 14.952 -6.199 -0.914 23 HH11 ARG 2 HH11 ARG 2 16.023 -5.634 2.372 24 HH12 ARG 2 HH12 ARG 2 16.040 -7.317 2.792 25 HH21 ARG 2 HH21 ARG 2 14.967 -8.418 -0.363 26 HH22 ARG 2 HH22 ARG 2 15.451 -8.906 1.232 27 H LEU 3 HN LEU 3 13.453 -2.031 1.729 28 HA LEU 3 HA LEU 3 11.373 -1.048 3.326 29 HB2 LEU 3 HB2 LEU 3 13.579 -0.162 3.572 30 HB3 LEU 3 HB1 LEU 3 13.606 0.366 1.899 31 HG LEU 3 HG LEU 3 11.953 2.071 2.356 32 HD11 LEU 3 HD11 LEU 3 10.644 0.881 4.030 33 HD12 LEU 3 HD12 LEU 3 11.125 2.475 4.612 34 HD13 LEU 3 HD13 LEU 3 11.967 1.037 5.185 35 HD21 LEU 3 HD21 LEU 3 14.172 2.072 4.398 36 HD22 LEU 3 HD22 LEU 3 13.250 3.481 3.880 37 HD23 LEU 3 HD23 LEU 3 14.288 2.637 2.733 38 H ILE 4 HN ILE 4 12.286 0.048 0.073 39 HA ILE 4 HA ILE 4 10.135 1.849 -0.149 40 HB ILE 4 HB ILE 4 11.914 0.622 -2.223 41 HG12 ILE 4 HG12 ILE 4 12.930 2.136 -0.554 42 HG13 ILE 4 HG11 ILE 4 13.008 2.783 -2.189 43 HG21 ILE 4 HG21 ILE 4 11.109 2.417 -3.743 44 HG22 ILE 4 HG22 ILE 4 9.813 2.739 -2.593 45 HG23 ILE 4 HG23 ILE 4 9.915 1.169 -3.394 46 HD11 ILE 4 HD11 ILE 4 12.450 4.539 -0.664 47 HD12 ILE 4 HD12 ILE 4 11.107 3.603 -0.012 48 HD13 ILE 4 HD13 ILE 4 11.045 4.193 -1.672 49 H HIS 5 HN HIS 5 10.428 -1.521 -0.905 50 HA HIS 5 HA HIS 5 8.093 -1.623 -2.580 51 HB2 HIS 5 HB2 HIS 5 9.596 -3.904 -1.273 52 HB3 HIS 5 HB1 HIS 5 8.459 -4.034 -2.612 53 HD1 HIS 5 HD1 HIS 5 9.517 -4.055 -4.873 54 HD2 HIS 5 HD2 HIS 5 11.923 -2.215 -2.033 55 HE1 HIS 5 HE1 HIS 5 11.652 -3.464 -6.060 56 HE2 HIS 5 HE2 HIS 5 13.086 -2.347 -4.334 57 H ALA 6 HN ALA 6 8.777 -1.777 0.769 58 HA ALA 6 HA ALA 6 6.212 -2.924 1.482 59 HB1 ALA 6 HB1 ALA 6 6.947 -2.584 3.784 60 HB2 ALA 6 HB2 ALA 6 8.349 -1.672 3.217 61 HB3 ALA 6 HB3 ALA 6 8.211 -3.394 2.855 62 H VAL 7 HN VAL 7 7.921 0.123 1.446 63 HA VAL 7 HA VAL 7 6.057 1.807 2.593 64 HB VAL 7 HB VAL 7 8.105 2.245 0.440 65 HG11 VAL 7 HG11 VAL 7 6.169 4.275 1.545 66 HG12 VAL 7 HG12 VAL 7 6.472 3.858 -0.153 67 HG13 VAL 7 HG13 VAL 7 7.701 4.714 0.787 68 HG21 VAL 7 HG21 VAL 7 7.868 3.121 3.307 69 HG22 VAL 7 HG22 VAL 7 9.181 3.571 2.215 70 HG23 VAL 7 HG23 VAL 7 8.943 1.880 2.658 71 H ARG 8 HN ARG 8 6.502 1.125 -0.851 72 HA ARG 8 HA ARG 8 4.315 2.661 -1.691 73 HB2 ARG 8 HB2 ARG 8 5.806 0.402 -3.001 74 HB3 ARG 8 HB1 ARG 8 4.597 1.381 -3.834 75 HG2 ARG 8 HG2 ARG 8 5.937 3.389 -3.377 76 HG3 ARG 8 HG1 ARG 8 7.153 2.384 -2.589 77 HD2 ARG 8 HD2 ARG 8 7.792 2.913 -4.889 78 HD3 ARG 8 HD1 ARG 8 7.533 1.181 -4.678 79 HE ARG 8 HE ARG 8 5.181 2.512 -5.605 80 HH11 ARG 8 HH11 ARG 8 8.277 1.275 -6.666 81 HH12 ARG 8 HH12 ARG 8 7.743 0.960 -8.283 82 HH21 ARG 8 HH21 ARG 8 4.473 2.103 -7.731 83 HH22 ARG 8 HH22 ARG 8 5.573 1.427 -8.891 84 H GLY 9 HN GLY 9 4.619 -0.810 -1.085 85 HA2 GLY 9 HA2 GLY 9 1.910 -1.415 -1.706 86 HA3 GLY 9 HA1 GLY 9 3.009 -2.432 -0.783 87 H TYR 10 HN TYR 10 3.184 0.352 0.803 88 HA TYR 10 HA TYR 10 1.194 -0.417 2.765 89 HB2 TYR 10 HB2 TYR 10 3.147 0.083 3.884 90 HB3 TYR 10 HB1 TYR 10 3.625 1.299 2.713 91 HD1 TYR 10 HD1 TYR 10 3.546 3.490 3.302 92 HD2 TYR 10 HD2 TYR 10 1.041 0.748 5.366 93 HE1 TYR 10 HE1 TYR 10 2.846 5.290 4.820 94 HE2 TYR 10 HE2 TYR 10 0.325 2.540 6.890 95 HH TYR 10 HH TYR 10 1.017 5.845 6.312 96 H TRP 11 HN TRP 11 2.105 2.602 1.026 97 HA TRP 11 HA TRP 11 -0.312 3.825 1.996 98 HB2 TRP 11 HB2 TRP 11 0.387 5.835 0.756 99 HB3 TRP 11 HB1 TRP 11 1.618 5.242 1.856 100 HD1 TRP 11 HD1 TRP 11 3.785 4.045 0.674 101 HE1 TRP 11 HE1 TRP 11 4.887 4.540 -1.599 102 HE3 TRP 11 HE3 TRP 11 -0.072 6.523 -1.579 103 HZ2 TRP 11 HZ2 TRP 11 4.217 5.811 -4.015 104 HZ3 TRP 11 HZ3 TRP 11 0.243 7.360 -3.871 105 HH2 TRP 11 HH2 TRP 11 2.346 7.009 -5.063 106 H LEU 12 HN LEU 12 0.733 2.424 -1.055 107 HA LEU 12 HA LEU 12 -1.339 3.464 -2.651 108 HB2 LEU 12 HB2 LEU 12 0.190 0.877 -2.883 109 HB3 LEU 12 HB1 LEU 12 -0.888 1.496 -4.120 110 HG LEU 12 HG LEU 12 1.561 2.958 -3.135 111 HD11 LEU 12 HD11 LEU 12 2.158 0.848 -4.248 112 HD12 LEU 12 HD12 LEU 12 2.613 2.248 -5.215 113 HD13 LEU 12 HD13 LEU 12 1.181 1.312 -5.641 114 HD21 LEU 12 HD21 LEU 12 1.222 4.307 -5.142 115 HD22 LEU 12 HD22 LEU 12 -0.169 4.396 -4.062 116 HD23 LEU 12 HD23 LEU 12 -0.240 3.396 -5.512 117 H THR 13 HN THR 13 -1.213 0.759 -0.462 118 HA THR 13 HA THR 13 -3.780 -0.272 -1.337 119 HB THR 13 HB THR 13 -1.657 -1.566 -0.439 120 HG1 THR 13 HG1 THR 13 -4.192 -2.454 0.475 121 HG21 THR 13 HG21 THR 13 -3.231 -1.046 2.075 122 HG22 THR 13 HG22 THR 13 -1.574 -0.534 1.747 123 HG23 THR 13 HG23 THR 13 -1.952 -2.249 1.911 124 H ASN 14 HN ASN 14 -2.758 2.168 0.607 125 HA ASN 14 HA ASN 14 -4.827 1.811 2.650 126 HB2 ASN 14 HB2 ASN 14 -2.177 2.944 2.595 127 HB3 ASN 14 HB1 ASN 14 -3.345 4.093 3.241 128 HD21 ASN 14 HD21 ASN 14 -1.717 1.081 3.713 129 HD22 ASN 14 HD22 ASN 14 -2.236 0.814 5.345 130 H LYS 15 HN LYS 15 -3.665 4.229 0.308 131 HA LYS 15 HA LYS 15 -5.542 6.234 1.019 132 HB2 LYS 15 HB2 LYS 15 -4.277 5.934 -1.701 133 HB3 LYS 15 HB1 LYS 15 -4.811 7.414 -0.916 134 HG2 LYS 15 HG2 LYS 15 -2.497 5.688 -0.084 135 HG3 LYS 15 HG1 LYS 15 -2.398 7.253 -0.900 136 HD2 LYS 15 HD2 LYS 15 -3.453 8.327 1.034 137 HD3 LYS 15 HD1 LYS 15 -3.565 6.765 1.846 138 HE2 LYS 15 HE2 LYS 15 -1.117 6.579 1.786 139 HE3 LYS 15 HE1 LYS 15 -1.025 8.160 1.012 140 HZ1 LYS 15 HZ1 LYS 15 -2.072 7.588 3.732 141 HZ2 LYS 15 HZ2 LYS 15 -2.099 9.106 2.989 142 HZ3 LYS 15 HZ3 LYS 15 -0.622 8.371 3.354 143 H VAL 16 HN VAL 16 -5.555 3.650 -1.293 144 HA VAL 16 HA VAL 16 -7.894 4.143 -2.676 145 HB VAL 16 HB VAL 16 -6.517 2.380 -3.432 146 HG11 VAL 16 HG11 VAL 16 -6.872 1.033 -0.756 147 HG12 VAL 16 HG12 VAL 16 -5.437 1.935 -1.254 148 HG13 VAL 16 HG13 VAL 16 -5.895 0.452 -2.105 149 HG21 VAL 16 HG21 VAL 16 -8.005 0.429 -3.492 150 HG22 VAL 16 HG22 VAL 16 -8.894 1.931 -3.747 151 HG23 VAL 16 HG23 VAL 16 -8.961 1.121 -2.180 152 HA PRO 17 HA PRO 17 -10.797 3.794 0.751 153 HB2 PRO 17 HB2 PRO 17 -12.984 4.400 -0.767 154 HB3 PRO 17 HB1 PRO 17 -11.910 5.620 -0.079 155 HG2 PRO 17 HG2 PRO 17 -11.993 4.514 -2.854 156 HG3 PRO 17 HG1 PRO 17 -11.742 6.185 -2.320 157 HD2 PRO 17 HD2 PRO 17 -9.701 4.589 -3.101 158 HD3 PRO 17 HD1 PRO 17 -9.508 5.833 -1.857 159 H ILE 18 HN ILE 18 -11.308 1.830 1.365 160 HA ILE 18 HA ILE 18 -12.355 -0.079 -0.616 161 HB ILE 18 HB ILE 18 -11.614 -1.859 0.949 162 HG12 ILE 18 HG12 ILE 18 -10.268 0.414 2.428 163 HG13 ILE 18 HG11 ILE 18 -11.680 -0.463 3.004 164 HG21 ILE 18 HG21 ILE 18 -10.203 -1.187 -0.924 165 HG22 ILE 18 HG22 ILE 18 -9.228 -1.664 0.466 166 HG23 ILE 18 HG23 ILE 18 -9.442 0.045 0.083 167 HD11 ILE 18 HD11 ILE 18 -9.648 -1.244 4.075 168 HD12 ILE 18 HD12 ILE 18 -8.960 -1.642 2.502 169 HD13 ILE 18 HD13 ILE 18 -10.374 -2.515 3.093 170 H LYS 19 HN LYS 19 -13.984 1.829 0.575 171 HA LYS 19 HA LYS 19 -15.349 0.633 2.834 172 HB2 LYS 19 HB2 LYS 19 -16.120 3.080 1.239 173 HB3 LYS 19 HB1 LYS 19 -16.690 2.640 2.843 174 HG2 LYS 19 HG2 LYS 19 -14.455 2.963 3.744 175 HG3 LYS 19 HG1 LYS 19 -13.852 3.360 2.134 176 HD2 LYS 19 HD2 LYS 19 -15.413 5.271 2.063 177 HD3 LYS 19 HD1 LYS 19 -15.919 4.894 3.710 178 HE2 LYS 19 HE2 LYS 19 -13.620 5.241 4.483 179 HE3 LYS 19 HE1 LYS 19 -13.131 5.634 2.834 180 HZ1 LYS 19 HZ1 LYS 19 -15.070 7.145 4.495 181 HZ2 LYS 19 HZ2 LYS 19 -14.703 7.494 2.884 182 HZ3 LYS 19 HZ3 LYS 19 -13.509 7.641 4.072 183 H ARG 20 HN ARG 20 -16.194 1.623 -0.456 184 HA ARG 20 HA ARG 20 -18.726 0.322 -0.467 185 HB2 ARG 20 HB2 ARG 20 -17.001 1.373 -2.715 186 HB3 ARG 20 HB1 ARG 20 -18.650 0.798 -2.916 187 HG2 ARG 20 HG2 ARG 20 -19.497 2.567 -1.567 188 HG3 ARG 20 HG1 ARG 20 -17.877 3.079 -1.112 189 HD2 ARG 20 HD2 ARG 20 -18.838 4.534 -2.819 190 HD3 ARG 20 HD1 ARG 20 -17.426 3.675 -3.414 191 HE ARG 20 HE ARG 20 -19.686 2.184 -4.084 192 HH11 ARG 20 HH11 ARG 20 -18.208 5.250 -4.897 193 HH12 ARG 20 HH12 ARG 20 -18.879 5.297 -6.494 194 HH21 ARG 20 HH21 ARG 20 -20.567 2.230 -6.187 195 HH22 ARG 20 HH22 ARG 20 -20.237 3.580 -7.226 196 HA PRO 21 HA PRO 21 -16.929 -3.714 -1.475 197 HB2 PRO 21 HB2 PRO 21 -19.605 -4.781 -1.185 198 HB3 PRO 21 HB1 PRO 21 -18.195 -5.051 -0.160 199 HG2 PRO 21 HG2 PRO 21 -20.397 -3.650 0.640 200 HG3 PRO 21 HG1 PRO 21 -18.771 -3.382 1.291 201 HD2 PRO 21 HD2 PRO 21 -20.271 -1.817 -0.773 202 HD3 PRO 21 HD1 PRO 21 -19.225 -1.246 0.546 203 H SER 22 HN SER 22 -17.596 -1.889 -3.528 204 HA SER 22 HA SER 22 -19.421 -3.180 -5.343 205 HB2 SER 22 HB2 SER 22 -18.413 -1.339 -6.904 206 HB3 SER 22 HB1 SER 22 -19.462 -0.861 -5.569 207 HG SER 22 HG SER 22 -17.127 0.076 -5.996 Start of MODEL 16 1 H1 LEU 1 HT1 LEU 1 12.091 -8.579 -0.853 2 H2 LEU 1 HT2 LEU 1 10.754 -7.552 -0.826 3 H3 LEU 1 HT3 LEU 1 10.630 -9.113 -0.193 4 HA LEU 1 HA LEU 1 10.790 -7.483 1.559 5 HB2 LEU 1 HB2 LEU 1 13.201 -9.261 1.209 6 HB3 LEU 1 HB1 LEU 1 12.825 -8.420 2.698 7 HG LEU 1 HG LEU 1 11.098 -10.525 1.392 8 HD11 LEU 1 HD11 LEU 1 11.743 -11.915 3.282 9 HD12 LEU 1 HD12 LEU 1 12.792 -10.631 3.885 10 HD13 LEU 1 HD13 LEU 1 13.160 -11.426 2.354 11 HD21 LEU 1 HD21 LEU 1 10.789 -9.043 4.003 12 HD22 LEU 1 HD22 LEU 1 9.802 -10.407 3.481 13 HD23 LEU 1 HD23 LEU 1 9.754 -8.891 2.584 14 H ARG 2 HN ARG 2 11.010 -5.359 1.076 15 HA ARG 2 HA ARG 2 13.702 -4.294 1.267 16 HB2 ARG 2 HB2 ARG 2 13.060 -4.638 -1.223 17 HB3 ARG 2 HB1 ARG 2 11.932 -3.316 -0.956 18 HG2 ARG 2 HG2 ARG 2 13.932 -2.464 -1.959 19 HG3 ARG 2 HG1 ARG 2 13.815 -1.878 -0.301 20 HD2 ARG 2 HD2 ARG 2 15.408 -3.552 0.429 21 HD3 ARG 2 HD1 ARG 2 15.476 -4.224 -1.198 22 HE ARG 2 HE ARG 2 16.148 -1.523 -1.361 23 HH11 ARG 2 HH11 ARG 2 17.408 -4.467 0.034 24 HH12 ARG 2 HH12 ARG 2 19.063 -3.966 -0.073 25 HH21 ARG 2 HH21 ARG 2 18.316 -0.852 -1.519 26 HH22 ARG 2 HH22 ARG 2 19.585 -1.896 -0.964 27 H LEU 3 HN LEU 3 13.486 -1.767 1.352 28 HA LEU 3 HA LEU 3 11.433 -1.164 3.238 29 HB2 LEU 3 HB2 LEU 3 13.578 -0.140 3.528 30 HB3 LEU 3 HB1 LEU 3 13.529 0.536 1.911 31 HG LEU 3 HG LEU 3 11.722 2.043 2.567 32 HD11 LEU 3 HD11 LEU 3 11.029 2.216 4.898 33 HD12 LEU 3 HD12 LEU 3 12.025 0.818 5.302 34 HD13 LEU 3 HD13 LEU 3 10.640 0.634 4.224 35 HD21 LEU 3 HD21 LEU 3 12.992 3.465 4.096 36 HD22 LEU 3 HD22 LEU 3 14.021 2.793 2.832 37 HD23 LEU 3 HD23 LEU 3 14.068 2.116 4.460 38 H ILE 4 HN ILE 4 12.249 0.376 0.154 39 HA ILE 4 HA ILE 4 9.965 1.964 0.027 40 HB ILE 4 HB ILE 4 11.888 1.051 -2.073 41 HG12 ILE 4 HG12 ILE 4 12.668 2.584 -0.304 42 HG13 ILE 4 HG11 ILE 4 12.704 3.335 -1.897 43 HG21 ILE 4 HG21 ILE 4 9.850 1.426 -3.280 44 HG22 ILE 4 HG22 ILE 4 10.926 2.799 -3.551 45 HG23 ILE 4 HG23 ILE 4 9.576 2.947 -2.426 46 HD11 ILE 4 HD11 ILE 4 11.896 4.917 -0.295 47 HD12 ILE 4 HD12 ILE 4 10.677 3.782 0.278 48 HD13 ILE 4 HD13 ILE 4 10.560 4.454 -1.348 49 H HIS 5 HN HIS 5 10.451 -1.327 -1.069 50 HA HIS 5 HA HIS 5 8.082 -1.383 -2.687 51 HB2 HIS 5 HB2 HIS 5 9.716 -3.678 -1.582 52 HB3 HIS 5 HB1 HIS 5 8.462 -3.817 -2.810 53 HD1 HIS 5 HD1 HIS 5 9.255 -3.648 -5.179 54 HD2 HIS 5 HD2 HIS 5 11.923 -1.973 -2.469 55 HE1 HIS 5 HE1 HIS 5 11.240 -2.918 -6.543 56 HE2 HIS 5 HE2 HIS 5 12.927 -2.118 -4.853 57 H ALA 6 HN ALA 6 8.800 -1.744 0.624 58 HA ALA 6 HA ALA 6 6.299 -3.047 1.301 59 HB1 ALA 6 HB1 ALA 6 8.355 -3.527 2.571 60 HB2 ALA 6 HB2 ALA 6 7.100 -2.831 3.600 61 HB3 ALA 6 HB3 ALA 6 8.444 -1.830 3.045 62 H VAL 7 HN VAL 7 7.884 0.053 1.417 63 HA VAL 7 HA VAL 7 5.973 1.601 2.695 64 HB VAL 7 HB VAL 7 8.032 2.214 0.597 65 HG11 VAL 7 HG11 VAL 7 7.594 4.644 1.063 66 HG12 VAL 7 HG12 VAL 7 6.071 4.153 1.808 67 HG13 VAL 7 HG13 VAL 7 6.365 3.826 0.094 68 HG21 VAL 7 HG21 VAL 7 7.746 2.893 3.512 69 HG22 VAL 7 HG22 VAL 7 9.064 3.440 2.472 70 HG23 VAL 7 HG23 VAL 7 8.850 1.719 2.795 71 H ARG 8 HN ARG 8 6.440 1.116 -0.792 72 HA ARG 8 HA ARG 8 4.128 2.563 -1.523 73 HB2 ARG 8 HB2 ARG 8 5.737 0.506 -3.028 74 HB3 ARG 8 HB1 ARG 8 4.500 1.532 -3.755 75 HG2 ARG 8 HG2 ARG 8 5.785 3.517 -3.113 76 HG3 ARG 8 HG1 ARG 8 7.027 2.481 -2.409 77 HD2 ARG 8 HD2 ARG 8 7.742 3.166 -4.598 78 HD3 ARG 8 HD1 ARG 8 7.351 1.448 -4.646 79 HE ARG 8 HE ARG 8 5.129 3.068 -5.411 80 HH11 ARG 8 HH11 ARG 8 8.134 1.699 -6.571 81 HH12 ARG 8 HH12 ARG 8 7.653 1.729 -8.238 82 HH21 ARG 8 HH21 ARG 8 4.494 3.110 -7.609 83 HH22 ARG 8 HH22 ARG 8 5.581 2.521 -8.827 84 H GLY 9 HN GLY 9 4.736 -0.822 -0.853 85 HA2 GLY 9 HA2 GLY 9 2.093 -1.685 -1.544 86 HA3 GLY 9 HA1 GLY 9 3.283 -2.604 -0.627 87 H TYR 10 HN TYR 10 3.230 0.214 0.918 88 HA TYR 10 HA TYR 10 1.123 -0.547 2.762 89 HB2 TYR 10 HB2 TYR 10 2.934 0.032 4.050 90 HB3 TYR 10 HB1 TYR 10 3.535 1.181 2.868 91 HD1 TYR 10 HD1 TYR 10 3.629 3.298 3.579 92 HD2 TYR 10 HD2 TYR 10 0.442 0.864 4.980 93 HE1 TYR 10 HE1 TYR 10 2.776 5.197 4.878 94 HE2 TYR 10 HE2 TYR 10 -0.430 2.758 6.299 95 HH TYR 10 HH TYR 10 0.536 5.928 5.808 96 H TRP 11 HN TRP 11 2.114 2.456 1.012 97 HA TRP 11 HA TRP 11 -0.333 3.668 1.910 98 HB2 TRP 11 HB2 TRP 11 0.445 5.724 0.839 99 HB3 TRP 11 HB1 TRP 11 1.627 5.049 1.947 100 HD1 TRP 11 HD1 TRP 11 3.878 4.031 0.818 101 HE1 TRP 11 HE1 TRP 11 5.042 4.620 -1.400 102 HE3 TRP 11 HE3 TRP 11 0.005 6.390 -1.515 103 HZ2 TRP 11 HZ2 TRP 11 4.402 5.928 -3.817 104 HZ3 TRP 11 HZ3 TRP 11 0.359 7.298 -3.776 105 HH2 TRP 11 HH2 TRP 11 2.513 7.069 -4.902 106 H LEU 12 HN LEU 12 0.643 2.123 -1.044 107 HA LEU 12 HA LEU 12 -1.365 3.390 -2.653 108 HB2 LEU 12 HB2 LEU 12 0.135 0.791 -3.015 109 HB3 LEU 12 HB1 LEU 12 -0.927 1.501 -4.219 110 HG LEU 12 HG LEU 12 1.549 2.852 -3.144 111 HD11 LEU 12 HD11 LEU 12 1.138 1.366 -5.743 112 HD12 LEU 12 HD12 LEU 12 2.130 0.824 -4.389 113 HD13 LEU 12 HD13 LEU 12 2.578 2.275 -5.286 114 HD21 LEU 12 HD21 LEU 12 -0.128 4.390 -3.962 115 HD22 LEU 12 HD22 LEU 12 -0.264 3.482 -5.468 116 HD23 LEU 12 HD23 LEU 12 1.235 4.326 -5.078 117 H THR 13 HN THR 13 -1.145 0.803 -0.461 118 HA THR 13 HA THR 13 -3.644 -0.462 -1.008 119 HB THR 13 HB THR 13 -2.433 -0.822 1.626 120 HG1 THR 13 HG1 THR 13 -0.454 -1.602 0.799 121 HG21 THR 13 HG21 THR 13 -2.788 -2.631 -0.742 122 HG22 THR 13 HG22 THR 13 -3.955 -2.413 0.563 123 HG23 THR 13 HG23 THR 13 -2.379 -3.133 0.895 124 H ASN 14 HN ASN 14 -2.662 2.327 0.620 125 HA ASN 14 HA ASN 14 -4.983 2.322 2.402 126 HB2 ASN 14 HB2 ASN 14 -2.359 3.699 2.429 127 HB3 ASN 14 HB1 ASN 14 -3.726 4.524 3.155 128 HD21 ASN 14 HD21 ASN 14 -1.677 1.706 3.307 129 HD22 ASN 14 HD22 ASN 14 -2.094 1.263 4.927 130 H LYS 15 HN LYS 15 -3.380 4.410 -0.001 131 HA LYS 15 HA LYS 15 -5.292 6.475 0.085 132 HB2 LYS 15 HB2 LYS 15 -4.300 7.244 -2.022 133 HB3 LYS 15 HB1 LYS 15 -3.076 6.835 -0.838 134 HG2 LYS 15 HG2 LYS 15 -2.195 5.945 -2.762 135 HG3 LYS 15 HG1 LYS 15 -3.020 4.548 -2.068 136 HD2 LYS 15 HD2 LYS 15 -4.955 4.998 -3.513 137 HD3 LYS 15 HD1 LYS 15 -4.095 6.363 -4.227 138 HE2 LYS 15 HE2 LYS 15 -2.345 4.822 -5.013 139 HE3 LYS 15 HE1 LYS 15 -3.247 3.469 -4.334 140 HZ1 LYS 15 HZ1 LYS 15 -3.684 3.649 -6.678 141 HZ2 LYS 15 HZ2 LYS 15 -4.149 5.266 -6.518 142 HZ3 LYS 15 HZ3 LYS 15 -5.094 4.047 -5.830 143 H VAL 16 HN VAL 16 -5.280 3.453 -1.485 144 HA VAL 16 HA VAL 16 -7.185 3.837 -3.472 145 HB VAL 16 HB VAL 16 -5.901 1.821 -3.457 146 HG11 VAL 16 HG11 VAL 16 -7.236 1.104 -0.850 147 HG12 VAL 16 HG12 VAL 16 -5.582 1.698 -1.005 148 HG13 VAL 16 HG13 VAL 16 -6.037 0.146 -1.720 149 HG21 VAL 16 HG21 VAL 16 -8.108 1.603 -4.431 150 HG22 VAL 16 HG22 VAL 16 -8.797 1.218 -2.853 151 HG23 VAL 16 HG23 VAL 16 -7.665 0.101 -3.619 152 HA PRO 17 HA PRO 17 -10.770 4.542 -0.855 153 HB2 PRO 17 HB2 PRO 17 -12.488 4.816 -2.974 154 HB3 PRO 17 HB1 PRO 17 -11.494 6.130 -2.339 155 HG2 PRO 17 HG2 PRO 17 -11.042 4.389 -4.721 156 HG3 PRO 17 HG1 PRO 17 -10.730 6.122 -4.521 157 HD2 PRO 17 HD2 PRO 17 -8.770 4.257 -4.401 158 HD3 PRO 17 HD1 PRO 17 -8.710 5.761 -3.468 159 H ILE 18 HN ILE 18 -11.548 2.798 0.087 160 HA ILE 18 HA ILE 18 -12.669 0.666 -1.590 161 HB ILE 18 HB ILE 18 -12.087 -0.952 0.221 162 HG12 ILE 18 HG12 ILE 18 -10.431 1.353 1.279 163 HG13 ILE 18 HG11 ILE 18 -11.862 0.684 2.055 164 HG21 ILE 18 HG21 ILE 18 -10.710 -0.787 -1.774 165 HG22 ILE 18 HG22 ILE 18 -9.710 -1.123 -0.362 166 HG23 ILE 18 HG23 ILE 18 -9.765 0.506 -1.036 167 HD11 ILE 18 HD11 ILE 18 -9.834 -0.112 3.115 168 HD12 ILE 18 HD12 ILE 18 -9.268 -0.764 1.577 169 HD13 ILE 18 HD13 ILE 18 -10.700 -1.444 2.350 170 H LYS 19 HN LYS 19 -13.880 3.000 -0.422 171 HA LYS 19 HA LYS 19 -15.815 1.723 1.401 172 HB2 LYS 19 HB2 LYS 19 -15.534 4.693 0.938 173 HB3 LYS 19 HB1 LYS 19 -16.387 3.881 2.239 174 HG2 LYS 19 HG2 LYS 19 -13.404 3.827 1.862 175 HG3 LYS 19 HG1 LYS 19 -14.262 4.928 2.936 176 HD2 LYS 19 HD2 LYS 19 -15.104 3.046 4.223 177 HD3 LYS 19 HD1 LYS 19 -14.323 1.915 3.118 178 HE2 LYS 19 HE2 LYS 19 -13.035 2.239 5.188 179 HE3 LYS 19 HE1 LYS 19 -12.142 2.745 3.756 180 HZ1 LYS 19 HZ1 LYS 19 -12.730 5.043 4.256 181 HZ2 LYS 19 HZ2 LYS 19 -11.893 4.338 5.544 182 HZ3 LYS 19 HZ3 LYS 19 -13.568 4.547 5.638 183 H ARG 20 HN ARG 20 -15.786 4.352 -0.998 184 HA ARG 20 HA ARG 20 -18.216 3.218 -2.184 185 HB2 ARG 20 HB2 ARG 20 -16.911 5.923 -2.552 186 HB3 ARG 20 HB1 ARG 20 -18.321 5.372 -3.450 187 HG2 ARG 20 HG2 ARG 20 -19.545 5.137 -1.333 188 HG3 ARG 20 HG1 ARG 20 -18.144 5.774 -0.473 189 HD2 ARG 20 HD2 ARG 20 -18.325 7.860 -1.741 190 HD3 ARG 20 HD1 ARG 20 -19.729 7.223 -2.594 191 HE ARG 20 HE ARG 20 -20.219 7.073 0.159 192 HH11 ARG 20 HH11 ARG 20 -19.828 9.490 -2.337 193 HH12 ARG 20 HH12 ARG 20 -20.846 10.654 -1.550 194 HH21 ARG 20 HH21 ARG 20 -21.562 8.602 1.205 195 HH22 ARG 20 HH22 ARG 20 -21.824 10.151 0.468 196 HA PRO 21 HA PRO 21 -15.528 1.678 -5.365 197 HB2 PRO 21 HB2 PRO 21 -17.357 0.335 -6.787 198 HB3 PRO 21 HB1 PRO 21 -16.859 -0.202 -5.178 199 HG2 PRO 21 HG2 PRO 21 -19.333 1.235 -6.015 200 HG3 PRO 21 HG1 PRO 21 -19.128 -0.030 -4.794 201 HD2 PRO 21 HD2 PRO 21 -19.302 2.701 -4.281 202 HD3 PRO 21 HD1 PRO 21 -18.656 1.486 -3.166 203 H SER 22 HN SER 22 -16.635 4.403 -5.600 204 HA SER 22 HA SER 22 -16.931 4.530 -8.521 205 HB2 SER 22 HB2 SER 22 -17.842 6.919 -7.850 206 HB3 SER 22 HB1 SER 22 -18.888 5.503 -7.766 207 HG SER 22 HG SER 22 -17.754 7.019 -5.717 Start of MODEL 17 1 H1 LEU 1 HT1 LEU 1 9.447 -6.477 2.535 2 H2 LEU 1 HT2 LEU 1 10.505 -6.686 3.832 3 H3 LEU 1 HT3 LEU 1 9.460 -7.934 3.395 4 HA LEU 1 HA LEU 1 11.617 -8.488 2.620 5 HB2 LEU 1 HB2 LEU 1 9.826 -7.498 0.395 6 HB3 LEU 1 HB1 LEU 1 11.259 -8.461 0.122 7 HG LEU 1 HG LEU 1 10.165 -10.249 1.572 8 HD11 LEU 1 HD11 LEU 1 7.687 -10.170 1.616 9 HD12 LEU 1 HD12 LEU 1 7.769 -8.483 1.108 10 HD13 LEU 1 HD13 LEU 1 8.450 -8.972 2.657 11 HD21 LEU 1 HD21 LEU 1 8.877 -9.484 -1.041 12 HD22 LEU 1 HD22 LEU 1 8.823 -11.080 -0.291 13 HD23 LEU 1 HD23 LEU 1 10.360 -10.418 -0.845 14 H ARG 2 HN ARG 2 10.585 -5.397 1.182 15 HA ARG 2 HA ARG 2 13.319 -4.414 1.527 16 HB2 ARG 2 HB2 ARG 2 12.658 -5.234 -0.914 17 HB3 ARG 2 HB1 ARG 2 11.862 -3.664 -0.948 18 HG2 ARG 2 HG2 ARG 2 13.886 -3.132 -1.844 19 HG3 ARG 2 HG1 ARG 2 14.181 -2.790 -0.141 20 HD2 ARG 2 HD2 ARG 2 14.954 -5.305 -1.615 21 HD3 ARG 2 HD1 ARG 2 16.042 -4.005 -1.145 22 HE ARG 2 HE ARG 2 14.572 -5.407 0.965 23 HH11 ARG 2 HH11 ARG 2 17.579 -4.840 -0.729 24 HH12 ARG 2 HH12 ARG 2 18.562 -5.538 0.519 25 HH21 ARG 2 HH21 ARG 2 15.858 -6.319 2.617 26 HH22 ARG 2 HH22 ARG 2 17.581 -6.383 2.420 27 H LEU 3 HN LEU 3 13.415 -2.096 1.661 28 HA LEU 3 HA LEU 3 11.367 -1.076 3.214 29 HB2 LEU 3 HB2 LEU 3 13.601 -0.222 3.409 30 HB3 LEU 3 HB1 LEU 3 13.571 0.344 1.751 31 HG LEU 3 HG LEU 3 11.949 2.053 2.309 32 HD11 LEU 3 HD11 LEU 3 11.248 2.415 4.626 33 HD12 LEU 3 HD12 LEU 3 12.060 0.923 5.100 34 HD13 LEU 3 HD13 LEU 3 10.684 0.869 3.997 35 HD21 LEU 3 HD21 LEU 3 13.319 3.409 3.833 36 HD22 LEU 3 HD22 LEU 3 14.288 2.613 2.592 37 HD23 LEU 3 HD23 LEU 3 14.264 1.976 4.238 38 H ILE 4 HN ILE 4 12.248 0.086 -0.011 39 HA ILE 4 HA ILE 4 10.098 1.839 -0.264 40 HB ILE 4 HB ILE 4 11.878 0.539 -2.280 41 HG12 ILE 4 HG12 ILE 4 12.822 2.185 -0.698 42 HG13 ILE 4 HG11 ILE 4 12.898 2.741 -2.369 43 HG21 ILE 4 HG21 ILE 4 9.848 0.945 -3.484 44 HG22 ILE 4 HG22 ILE 4 11.018 2.188 -3.930 45 HG23 ILE 4 HG23 ILE 4 9.715 2.568 -2.801 46 HD11 ILE 4 HD11 ILE 4 12.266 4.560 -0.945 47 HD12 ILE 4 HD12 ILE 4 10.944 3.618 -0.257 48 HD13 ILE 4 HD13 ILE 4 10.885 4.115 -1.948 49 H HIS 5 HN HIS 5 10.293 -1.572 -0.949 50 HA HIS 5 HA HIS 5 7.896 -1.645 -2.536 51 HB2 HIS 5 HB2 HIS 5 9.432 -3.911 -1.241 52 HB3 HIS 5 HB1 HIS 5 8.145 -4.095 -2.431 53 HD1 HIS 5 HD1 HIS 5 8.973 -4.376 -4.759 54 HD2 HIS 5 HD2 HIS 5 11.633 -2.244 -2.385 55 HE1 HIS 5 HE1 HIS 5 10.930 -3.836 -6.248 56 HE2 HIS 5 HE2 HIS 5 12.483 -2.464 -4.825 57 H ALA 6 HN ALA 6 8.710 -1.807 0.788 58 HA ALA 6 HA ALA 6 6.152 -2.876 1.615 59 HB1 ALA 6 HB1 ALA 6 8.228 -3.362 2.872 60 HB2 ALA 6 HB2 ALA 6 7.010 -2.564 3.871 61 HB3 ALA 6 HB3 ALA 6 8.379 -1.643 3.242 62 H VAL 7 HN VAL 7 7.840 0.131 1.289 63 HA VAL 7 HA VAL 7 6.045 1.852 2.551 64 HB VAL 7 HB VAL 7 8.038 2.224 0.334 65 HG11 VAL 7 HG11 VAL 7 7.691 4.699 0.642 66 HG12 VAL 7 HG12 VAL 7 6.178 4.306 1.466 67 HG13 VAL 7 HG13 VAL 7 6.411 3.848 -0.229 68 HG21 VAL 7 HG21 VAL 7 7.904 3.135 3.197 69 HG22 VAL 7 HG22 VAL 7 9.183 3.564 2.058 70 HG23 VAL 7 HG23 VAL 7 8.946 1.880 2.523 71 H ARG 8 HN ARG 8 6.398 1.095 -0.890 72 HA ARG 8 HA ARG 8 4.172 2.605 -1.696 73 HB2 ARG 8 HB2 ARG 8 5.676 0.359 -3.013 74 HB3 ARG 8 HB1 ARG 8 4.419 1.293 -3.830 75 HG2 ARG 8 HG2 ARG 8 5.724 3.347 -3.400 76 HG3 ARG 8 HG1 ARG 8 6.999 2.357 -2.689 77 HD2 ARG 8 HD2 ARG 8 7.309 1.199 -4.800 78 HD3 ARG 8 HD1 ARG 8 5.976 2.098 -5.518 79 HE ARG 8 HE ARG 8 8.057 3.785 -4.487 80 HH11 ARG 8 HH11 ARG 8 7.054 1.863 -7.239 81 HH12 ARG 8 HH12 ARG 8 7.973 2.787 -8.379 82 HH21 ARG 8 HH21 ARG 8 9.285 4.989 -5.975 83 HH22 ARG 8 HH22 ARG 8 9.257 4.568 -7.659 84 H GLY 9 HN GLY 9 4.538 -0.820 -0.928 85 HA2 GLY 9 HA2 GLY 9 1.805 -1.444 -1.512 86 HA3 GLY 9 HA1 GLY 9 2.938 -2.468 -0.634 87 H TYR 10 HN TYR 10 3.140 0.375 0.886 88 HA TYR 10 HA TYR 10 1.177 -0.337 2.899 89 HB2 TYR 10 HB2 TYR 10 3.112 0.250 4.007 90 HB3 TYR 10 HB1 TYR 10 3.594 1.392 2.768 91 HD1 TYR 10 HD1 TYR 10 0.948 1.022 5.406 92 HD2 TYR 10 HD2 TYR 10 3.558 3.593 3.250 93 HE1 TYR 10 HE1 TYR 10 0.232 2.916 6.807 94 HE2 TYR 10 HE2 TYR 10 2.855 5.488 4.636 95 HH TYR 10 HH TYR 10 1.040 5.102 7.505 96 H TRP 11 HN TRP 11 2.074 2.695 1.166 97 HA TRP 11 HA TRP 11 -0.412 3.822 2.073 98 HB2 TRP 11 HB2 TRP 11 0.335 5.922 1.111 99 HB3 TRP 11 HB1 TRP 11 1.574 5.210 2.129 100 HD1 TRP 11 HD1 TRP 11 3.743 4.143 0.790 101 HE1 TRP 11 HE1 TRP 11 4.813 4.900 -1.428 102 HE3 TRP 11 HE3 TRP 11 -0.148 6.829 -1.098 103 HZ2 TRP 11 HZ2 TRP 11 4.095 6.446 -3.676 104 HZ3 TRP 11 HZ3 TRP 11 0.115 7.934 -3.283 105 HH2 TRP 11 HH2 TRP 11 2.197 7.742 -4.547 106 H LEU 12 HN LEU 12 0.761 2.513 -0.960 107 HA LEU 12 HA LEU 12 -1.340 3.680 -2.536 108 HB2 LEU 12 HB2 LEU 12 0.536 1.374 -3.067 109 HB3 LEU 12 HB1 LEU 12 -0.628 1.967 -4.236 110 HG LEU 12 HG LEU 12 1.630 3.595 -3.073 111 HD11 LEU 12 HD11 LEU 12 2.441 1.804 -4.532 112 HD12 LEU 12 HD12 LEU 12 2.657 3.390 -5.269 113 HD13 LEU 12 HD13 LEU 12 1.342 2.341 -5.801 114 HD21 LEU 12 HD21 LEU 12 1.022 5.164 -4.887 115 HD22 LEU 12 HD22 LEU 12 -0.234 4.975 -3.665 116 HD23 LEU 12 HD23 LEU 12 -0.396 4.169 -5.225 117 H THR 13 HN THR 13 -0.905 0.996 -0.529 118 HA THR 13 HA THR 13 -3.209 -0.460 -1.447 119 HB THR 13 HB THR 13 -0.954 -0.835 0.437 120 HG1 THR 13 HG1 THR 13 -0.754 -2.729 -0.691 121 HG21 THR 13 HG21 THR 13 -3.523 -2.356 0.756 122 HG22 THR 13 HG22 THR 13 -2.784 -1.257 1.922 123 HG23 THR 13 HG23 THR 13 -1.979 -2.768 1.503 124 H ASN 14 HN ASN 14 -2.513 2.086 0.701 125 HA ASN 14 HA ASN 14 -4.853 1.542 2.378 126 HB2 ASN 14 HB2 ASN 14 -2.343 3.036 2.752 127 HB3 ASN 14 HB1 ASN 14 -3.774 3.773 3.462 128 HD21 ASN 14 HD21 ASN 14 -1.642 1.028 3.502 129 HD22 ASN 14 HD22 ASN 14 -2.177 0.391 5.022 130 H LYS 15 HN LYS 15 -3.406 4.331 0.662 131 HA LYS 15 HA LYS 15 -5.618 6.017 1.159 132 HB2 LYS 15 HB2 LYS 15 -4.572 7.595 -0.309 133 HB3 LYS 15 HB1 LYS 15 -3.352 6.862 0.710 134 HG2 LYS 15 HG2 LYS 15 -2.274 6.855 -1.295 135 HG3 LYS 15 HG1 LYS 15 -3.054 5.279 -1.369 136 HD2 LYS 15 HD2 LYS 15 -3.553 6.148 -3.443 137 HD3 LYS 15 HD1 LYS 15 -4.987 6.580 -2.509 138 HE2 LYS 15 HE2 LYS 15 -2.642 8.421 -2.970 139 HE3 LYS 15 HE1 LYS 15 -4.096 8.404 -3.959 140 HZ1 LYS 15 HZ1 LYS 15 -3.977 9.015 -1.056 141 HZ2 LYS 15 HZ2 LYS 15 -5.389 8.974 -1.986 142 HZ3 LYS 15 HZ3 LYS 15 -4.203 10.137 -2.298 143 H VAL 16 HN VAL 16 -5.029 3.684 -1.217 144 HA VAL 16 HA VAL 16 -6.490 4.377 -3.389 145 HB VAL 16 HB VAL 16 -5.369 2.290 -3.417 146 HG11 VAL 16 HG11 VAL 16 -7.209 1.376 -1.208 147 HG12 VAL 16 HG12 VAL 16 -5.500 1.784 -1.028 148 HG13 VAL 16 HG13 VAL 16 -5.980 0.395 -2.008 149 HG21 VAL 16 HG21 VAL 16 -7.326 2.333 -4.831 150 HG22 VAL 16 HG22 VAL 16 -8.352 1.827 -3.487 151 HG23 VAL 16 HG23 VAL 16 -7.143 0.717 -4.142 152 HA PRO 17 HA PRO 17 -10.586 5.055 -1.628 153 HB2 PRO 17 HB2 PRO 17 -11.648 5.879 -4.022 154 HB3 PRO 17 HB1 PRO 17 -10.815 6.945 -2.887 155 HG2 PRO 17 HG2 PRO 17 -9.795 5.655 -5.375 156 HG3 PRO 17 HG1 PRO 17 -9.477 7.277 -4.740 157 HD2 PRO 17 HD2 PRO 17 -7.700 5.255 -4.500 158 HD3 PRO 17 HD1 PRO 17 -7.862 6.524 -3.276 159 H ILE 18 HN ILE 18 -11.795 3.352 -1.304 160 HA ILE 18 HA ILE 18 -11.978 1.256 -3.313 161 HB ILE 18 HB ILE 18 -13.125 -0.032 -1.491 162 HG12 ILE 18 HG12 ILE 18 -12.310 2.354 0.185 163 HG13 ILE 18 HG11 ILE 18 -13.963 1.897 -0.208 164 HG21 ILE 18 HG21 ILE 18 -10.375 1.060 -0.903 165 HG22 ILE 18 HG22 ILE 18 -10.760 -0.317 -1.936 166 HG23 ILE 18 HG23 ILE 18 -11.060 -0.406 -0.201 167 HD11 ILE 18 HD11 ILE 18 -13.383 1.227 2.043 168 HD12 ILE 18 HD12 ILE 18 -12.024 0.286 1.431 169 HD13 ILE 18 HD13 ILE 18 -13.676 -0.185 1.030 170 H LYS 19 HN LYS 19 -13.297 3.475 -4.135 171 HA LYS 19 HA LYS 19 -16.140 2.929 -3.649 172 HB2 LYS 19 HB2 LYS 19 -14.757 5.289 -4.930 173 HB3 LYS 19 HB1 LYS 19 -16.500 5.092 -4.852 174 HG2 LYS 19 HG2 LYS 19 -14.627 5.336 -2.506 175 HG3 LYS 19 HG1 LYS 19 -15.735 6.577 -3.098 176 HD2 LYS 19 HD2 LYS 19 -17.634 5.097 -2.596 177 HD3 LYS 19 HD1 LYS 19 -16.514 3.885 -1.976 178 HE2 LYS 19 HE2 LYS 19 -15.750 5.506 -0.278 179 HE3 LYS 19 HE1 LYS 19 -16.948 6.656 -0.870 180 HZ1 LYS 19 HZ1 LYS 19 -18.697 5.145 -0.253 181 HZ2 LYS 19 HZ2 LYS 19 -17.707 5.420 1.089 182 HZ3 LYS 19 HZ3 LYS 19 -17.580 3.969 0.230 183 H ARG 20 HN ARG 20 -13.772 2.005 -5.597 184 HA ARG 20 HA ARG 20 -14.799 1.993 -8.199 185 HB2 ARG 20 HB2 ARG 20 -13.084 -0.065 -6.791 186 HB3 ARG 20 HB1 ARG 20 -13.301 0.057 -8.527 187 HG2 ARG 20 HG2 ARG 20 -12.167 2.300 -6.897 188 HG3 ARG 20 HG1 ARG 20 -11.177 0.998 -7.549 189 HD2 ARG 20 HD2 ARG 20 -11.131 2.916 -9.037 190 HD3 ARG 20 HD1 ARG 20 -11.938 1.556 -9.808 191 HE ARG 20 HE ARG 20 -13.624 3.543 -8.498 192 HH11 ARG 20 HH11 ARG 20 -12.288 2.260 -11.469 193 HH12 ARG 20 HH12 ARG 20 -13.471 3.024 -12.481 194 HH21 ARG 20 HH21 ARG 20 -15.203 4.530 -9.824 195 HH22 ARG 20 HH22 ARG 20 -15.130 4.311 -11.545 196 HA PRO 21 HA PRO 21 -17.951 -1.174 -8.049 197 HB2 PRO 21 HB2 PRO 21 -16.985 -2.367 -10.537 198 HB3 PRO 21 HB1 PRO 21 -18.480 -1.480 -10.234 199 HG2 PRO 21 HG2 PRO 21 -16.473 -0.470 -11.732 200 HG3 PRO 21 HG1 PRO 21 -17.536 0.551 -10.747 201 HD2 PRO 21 HD2 PRO 21 -14.757 -0.409 -10.169 202 HD3 PRO 21 HD1 PRO 21 -15.478 1.192 -9.896 203 H SER 22 HN SER 22 -15.578 -1.790 -6.621 204 HA SER 22 HA SER 22 -14.767 -3.531 -5.435 205 HB2 SER 22 HB2 SER 22 -17.083 -4.518 -5.765 206 HB3 SER 22 HB1 SER 22 -16.415 -5.415 -7.128 207 HG SER 22 HG SER 22 -15.961 -6.814 -5.615 Start of MODEL 18 1 H1 LEU 1 HT1 LEU 1 14.907 -7.889 3.655 2 H2 LEU 1 HT2 LEU 1 14.488 -8.594 2.181 3 H3 LEU 1 HT3 LEU 1 13.969 -9.295 3.628 4 HA LEU 1 HA LEU 1 12.175 -8.111 2.550 5 HB2 LEU 1 HB2 LEU 1 13.215 -6.847 5.087 6 HB3 LEU 1 HB1 LEU 1 11.604 -6.586 4.451 7 HG LEU 1 HG LEU 1 12.709 -9.251 5.348 8 HD11 LEU 1 HD11 LEU 1 12.352 -7.708 7.208 9 HD12 LEU 1 HD12 LEU 1 11.178 -9.023 7.227 10 HD13 LEU 1 HD13 LEU 1 10.700 -7.423 6.658 11 HD21 LEU 1 HD21 LEU 1 10.377 -10.008 5.128 12 HD22 LEU 1 HD22 LEU 1 11.067 -9.512 3.583 13 HD23 LEU 1 HD23 LEU 1 9.949 -8.444 4.433 14 H ARG 2 HN ARG 2 11.330 -6.202 1.699 15 HA ARG 2 HA ARG 2 13.375 -4.262 0.871 16 HB2 ARG 2 HB2 ARG 2 10.921 -5.346 -0.363 17 HB3 ARG 2 HB1 ARG 2 11.210 -3.635 -0.629 18 HG2 ARG 2 HG2 ARG 2 12.077 -5.058 -2.432 19 HG3 ARG 2 HG1 ARG 2 13.335 -4.103 -1.655 20 HD2 ARG 2 HD2 ARG 2 14.014 -6.059 -0.357 21 HD3 ARG 2 HD1 ARG 2 12.721 -7.004 -1.091 22 HE ARG 2 HE ARG 2 14.467 -5.855 -3.040 23 HH11 ARG 2 HH11 ARG 2 14.122 -8.517 -0.798 24 HH12 ARG 2 HH12 ARG 2 15.137 -9.587 -1.711 25 HH21 ARG 2 HH21 ARG 2 15.811 -7.258 -4.240 26 HH22 ARG 2 HH22 ARG 2 16.094 -8.871 -3.666 27 H LEU 3 HN LEU 3 13.081 -2.092 1.138 28 HA LEU 3 HA LEU 3 11.248 -1.329 3.253 29 HB2 LEU 3 HB2 LEU 3 13.512 -0.575 3.500 30 HB3 LEU 3 HB1 LEU 3 13.514 0.107 1.886 31 HG LEU 3 HG LEU 3 11.903 1.812 2.588 32 HD11 LEU 3 HD11 LEU 3 11.301 2.061 4.928 33 HD12 LEU 3 HD12 LEU 3 12.170 0.579 5.323 34 HD13 LEU 3 HD13 LEU 3 10.740 0.516 4.291 35 HD21 LEU 3 HD21 LEU 3 14.304 1.616 4.398 36 HD22 LEU 3 HD22 LEU 3 13.385 3.081 4.060 37 HD23 LEU 3 HD23 LEU 3 14.284 2.286 2.768 38 H ILE 4 HN ILE 4 12.169 -0.058 0.084 39 HA ILE 4 HA ILE 4 10.113 1.875 0.023 40 HB ILE 4 HB ILE 4 11.915 0.762 -2.086 41 HG12 ILE 4 HG12 ILE 4 12.866 2.189 -0.303 42 HG13 ILE 4 HG11 ILE 4 13.004 2.919 -1.900 43 HG21 ILE 4 HG21 ILE 4 9.848 2.926 -2.415 44 HG22 ILE 4 HG22 ILE 4 9.915 1.379 -3.265 45 HG23 ILE 4 HG23 ILE 4 11.153 2.602 -3.557 46 HD11 ILE 4 HD11 ILE 4 11.019 4.307 -1.379 47 HD12 ILE 4 HD12 ILE 4 12.389 4.599 -0.309 48 HD13 ILE 4 HD13 ILE 4 11.025 3.632 0.250 49 H HIS 5 HN HIS 5 10.286 -1.426 -1.079 50 HA HIS 5 HA HIS 5 7.885 -1.276 -2.654 51 HB2 HIS 5 HB2 HIS 5 9.319 -3.728 -1.604 52 HB3 HIS 5 HB1 HIS 5 8.098 -3.700 -2.871 53 HD1 HIS 5 HD1 HIS 5 8.972 -3.517 -5.208 54 HD2 HIS 5 HD2 HIS 5 11.720 -2.227 -2.374 55 HE1 HIS 5 HE1 HIS 5 11.090 -3.032 -6.478 56 HE2 HIS 5 HE2 HIS 5 12.772 -2.369 -4.734 57 H ALA 6 HN ALA 6 8.686 -1.750 0.636 58 HA ALA 6 HA ALA 6 6.132 -2.880 1.395 59 HB1 ALA 6 HB1 ALA 6 8.197 -3.421 2.647 60 HB2 ALA 6 HB2 ALA 6 6.968 -2.673 3.670 61 HB3 ALA 6 HB3 ALA 6 8.341 -1.721 3.101 62 H VAL 7 HN VAL 7 7.864 0.144 1.385 63 HA VAL 7 HA VAL 7 6.031 1.814 2.611 64 HB VAL 7 HB VAL 7 8.075 2.258 0.457 65 HG11 VAL 7 HG11 VAL 7 7.703 4.716 0.748 66 HG12 VAL 7 HG12 VAL 7 6.194 4.331 1.578 67 HG13 VAL 7 HG13 VAL 7 6.415 3.872 -0.115 68 HG21 VAL 7 HG21 VAL 7 9.172 3.559 2.229 69 HG22 VAL 7 HG22 VAL 7 8.890 1.881 2.690 70 HG23 VAL 7 HG23 VAL 7 7.845 3.154 3.319 71 H ARG 8 HN ARG 8 6.397 1.096 -0.847 72 HA ARG 8 HA ARG 8 4.134 2.602 -1.602 73 HB2 ARG 8 HB2 ARG 8 5.633 0.428 -3.046 74 HB3 ARG 8 HB1 ARG 8 4.401 1.446 -3.788 75 HG2 ARG 8 HG2 ARG 8 5.743 3.427 -3.286 76 HG3 ARG 8 HG1 ARG 8 6.981 2.403 -2.557 77 HD2 ARG 8 HD2 ARG 8 7.245 1.250 -4.730 78 HD3 ARG 8 HD1 ARG 8 6.078 2.366 -5.437 79 HE ARG 8 HE ARG 8 7.837 4.094 -4.506 80 HH11 ARG 8 HH11 ARG 8 8.396 1.058 -6.158 81 HH12 ARG 8 HH12 ARG 8 9.891 1.570 -6.868 82 HH21 ARG 8 HH21 ARG 8 9.819 4.771 -5.429 83 HH22 ARG 8 HH22 ARG 8 10.710 3.679 -6.443 84 H GLY 9 HN GLY 9 4.613 -0.818 -0.895 85 HA2 GLY 9 HA2 GLY 9 1.913 -1.576 -1.452 86 HA3 GLY 9 HA1 GLY 9 3.084 -2.506 -0.523 87 H TYR 10 HN TYR 10 3.173 0.370 0.902 88 HA TYR 10 HA TYR 10 1.165 -0.295 2.886 89 HB2 TYR 10 HB2 TYR 10 3.076 0.296 4.010 90 HB3 TYR 10 HB1 TYR 10 3.591 1.414 2.761 91 HD1 TYR 10 HD1 TYR 10 0.939 1.092 5.388 92 HD2 TYR 10 HD2 TYR 10 3.529 3.637 3.184 93 HE1 TYR 10 HE1 TYR 10 0.249 2.996 6.790 94 HE2 TYR 10 HE2 TYR 10 2.850 5.545 4.567 95 HH TYR 10 HH TYR 10 1.252 5.228 7.481 96 H TRP 11 HN TRP 11 2.094 2.667 1.041 97 HA TRP 11 HA TRP 11 -0.395 3.855 1.866 98 HB2 TRP 11 HB2 TRP 11 0.360 5.892 0.756 99 HB3 TRP 11 HB1 TRP 11 1.561 5.260 1.868 100 HD1 TRP 11 HD1 TRP 11 3.791 4.158 0.713 101 HE1 TRP 11 HE1 TRP 11 4.938 4.739 -1.517 102 HE3 TRP 11 HE3 TRP 11 -0.067 6.593 -1.555 103 HZ2 TRP 11 HZ2 TRP 11 4.288 6.065 -3.920 104 HZ3 TRP 11 HZ3 TRP 11 0.271 7.507 -3.817 105 HH2 TRP 11 HH2 TRP 11 2.406 7.245 -4.977 106 H LEU 12 HN LEU 12 0.710 2.288 -1.048 107 HA LEU 12 HA LEU 12 -1.364 3.408 -2.710 108 HB2 LEU 12 HB2 LEU 12 0.441 1.012 -3.084 109 HB3 LEU 12 HB1 LEU 12 -0.701 1.574 -4.289 110 HG LEU 12 HG LEU 12 1.623 3.186 -3.237 111 HD11 LEU 12 HD11 LEU 12 2.638 2.779 -5.420 112 HD12 LEU 12 HD12 LEU 12 1.283 1.743 -5.867 113 HD13 LEU 12 HD13 LEU 12 2.367 1.263 -4.561 114 HD21 LEU 12 HD21 LEU 12 1.088 4.654 -5.136 115 HD22 LEU 12 HD22 LEU 12 -0.209 4.573 -3.943 116 HD23 LEU 12 HD23 LEU 12 -0.349 3.681 -5.459 117 H THR 13 HN THR 13 -0.956 0.938 -0.472 118 HA THR 13 HA THR 13 -3.289 -0.582 -1.183 119 HB THR 13 HB THR 13 -1.274 -0.749 1.064 120 HG1 THR 13 HG1 THR 13 -0.206 -2.153 -0.222 121 HG21 THR 13 HG21 THR 13 -3.299 -2.742 0.129 122 HG22 THR 13 HG22 THR 13 -3.338 -1.837 1.638 123 HG23 THR 13 HG23 THR 13 -2.060 -3.012 1.351 124 H ASN 14 HN ASN 14 -2.589 2.212 0.552 125 HA ASN 14 HA ASN 14 -4.639 1.746 2.595 126 HB2 ASN 14 HB2 ASN 14 -2.146 3.222 2.516 127 HB3 ASN 14 HB1 ASN 14 -3.478 4.193 3.125 128 HD21 ASN 14 HD21 ASN 14 -1.529 1.363 3.629 129 HD22 ASN 14 HD22 ASN 14 -1.982 1.098 5.281 130 H LYS 15 HN LYS 15 -3.641 4.257 0.265 131 HA LYS 15 HA LYS 15 -5.694 6.085 0.795 132 HB2 LYS 15 HB2 LYS 15 -4.420 5.615 -1.900 133 HB3 LYS 15 HB1 LYS 15 -5.160 7.099 -1.320 134 HG2 LYS 15 HG2 LYS 15 -2.651 5.831 -0.264 135 HG3 LYS 15 HG1 LYS 15 -2.743 7.265 -1.291 136 HD2 LYS 15 HD2 LYS 15 -4.187 8.280 0.562 137 HD3 LYS 15 HD1 LYS 15 -3.617 6.948 1.569 138 HE2 LYS 15 HE2 LYS 15 -2.198 8.823 1.978 139 HE3 LYS 15 HE1 LYS 15 -1.280 7.653 1.033 140 HZ1 LYS 15 HZ1 LYS 15 -1.814 8.957 -0.965 141 HZ2 LYS 15 HZ2 LYS 15 -0.931 9.850 0.167 142 HZ3 LYS 15 HZ3 LYS 15 -2.593 10.107 0.001 143 H VAL 16 HN VAL 16 -5.508 3.453 -1.460 144 HA VAL 16 HA VAL 16 -7.946 3.652 -2.734 145 HB VAL 16 HB VAL 16 -6.316 2.147 -3.571 146 HG11 VAL 16 HG11 VAL 16 -6.467 0.648 -0.957 147 HG12 VAL 16 HG12 VAL 16 -5.179 1.771 -1.404 148 HG13 VAL 16 HG13 VAL 16 -5.416 0.277 -2.327 149 HG21 VAL 16 HG21 VAL 16 -7.523 -0.019 -3.656 150 HG22 VAL 16 HG22 VAL 16 -8.568 1.368 -3.961 151 HG23 VAL 16 HG23 VAL 16 -8.604 0.569 -2.390 152 HA PRO 17 HA PRO 17 -10.714 2.638 0.695 153 HB2 PRO 17 HB2 PRO 17 -12.928 2.648 -0.988 154 HB3 PRO 17 HB1 PRO 17 -12.347 4.026 -0.053 155 HG2 PRO 17 HG2 PRO 17 -12.028 3.425 -2.929 156 HG3 PRO 17 HG1 PRO 17 -12.089 4.989 -2.105 157 HD2 PRO 17 HD2 PRO 17 -9.793 3.849 -3.072 158 HD3 PRO 17 HD1 PRO 17 -9.826 5.016 -1.743 159 H ILE 18 HN ILE 18 -10.780 0.621 1.292 160 HA ILE 18 HA ILE 18 -11.298 -1.491 -0.693 161 HB ILE 18 HB ILE 18 -9.834 -2.939 0.836 162 HG12 ILE 18 HG12 ILE 18 -8.831 -0.213 1.683 163 HG13 ILE 18 HG11 ILE 18 -9.784 -1.288 2.700 164 HG21 ILE 18 HG21 ILE 18 -8.547 -0.728 -0.756 165 HG22 ILE 18 HG22 ILE 18 -9.160 -2.250 -1.401 166 HG23 ILE 18 HG23 ILE 18 -7.782 -2.250 -0.301 167 HD11 ILE 18 HD11 ILE 18 -7.986 -2.949 2.595 168 HD12 ILE 18 HD12 ILE 18 -7.438 -1.413 3.267 169 HD13 ILE 18 HD13 ILE 18 -7.037 -1.841 1.603 170 H LYS 19 HN LYS 19 -13.350 -0.361 0.681 171 HA LYS 19 HA LYS 19 -13.925 -1.858 3.076 172 HB2 LYS 19 HB2 LYS 19 -15.602 0.002 1.389 173 HB3 LYS 19 HB1 LYS 19 -16.184 -0.767 2.858 174 HG2 LYS 19 HG2 LYS 19 -13.798 1.064 2.723 175 HG3 LYS 19 HG1 LYS 19 -15.426 1.566 3.187 176 HD2 LYS 19 HD2 LYS 19 -15.305 -0.224 4.985 177 HD3 LYS 19 HD1 LYS 19 -13.586 -0.343 4.611 178 HE2 LYS 19 HE2 LYS 19 -15.029 2.153 5.497 179 HE3 LYS 19 HE1 LYS 19 -14.014 1.140 6.518 180 HZ1 LYS 19 HZ1 LYS 19 -12.825 3.083 5.724 181 HZ2 LYS 19 HZ2 LYS 19 -13.098 2.632 4.119 182 HZ3 LYS 19 HZ3 LYS 19 -12.126 1.672 5.113 183 H ARG 20 HN ARG 20 -14.632 -2.044 -0.323 184 HA ARG 20 HA ARG 20 -16.405 -4.334 0.050 185 HB2 ARG 20 HB2 ARG 20 -15.486 -2.894 -2.453 186 HB3 ARG 20 HB1 ARG 20 -16.547 -4.292 -2.458 187 HG2 ARG 20 HG2 ARG 20 -17.998 -2.498 -2.685 188 HG3 ARG 20 HG1 ARG 20 -18.087 -2.881 -0.966 189 HD2 ARG 20 HD2 ARG 20 -16.528 -1.079 -0.470 190 HD3 ARG 20 HD1 ARG 20 -16.380 -0.718 -2.189 191 HE ARG 20 HE ARG 20 -19.057 -0.581 -1.075 192 HH11 ARG 20 HH11 ARG 20 -16.144 1.156 -1.937 193 HH12 ARG 20 HH12 ARG 20 -16.948 2.683 -2.094 194 HH21 ARG 20 HH21 ARG 20 -20.119 1.432 -1.264 195 HH22 ARG 20 HH22 ARG 20 -19.211 2.838 -1.720 196 HA PRO 21 HA PRO 21 -13.078 -7.184 -0.647 197 HB2 PRO 21 HB2 PRO 21 -14.411 -9.388 -1.378 198 HB3 PRO 21 HB1 PRO 21 -14.562 -8.723 0.254 199 HG2 PRO 21 HG2 PRO 21 -16.422 -8.466 -2.075 200 HG3 PRO 21 HG1 PRO 21 -16.802 -8.744 -0.367 201 HD2 PRO 21 HD2 PRO 21 -16.941 -6.290 -1.610 202 HD3 PRO 21 HD1 PRO 21 -16.713 -6.517 0.135 203 H SER 22 HN SER 22 -13.777 -5.398 -2.865 204 HA SER 22 HA SER 22 -12.598 -6.900 -5.032 205 HB2 SER 22 HB2 SER 22 -15.284 -5.533 -5.380 206 HB3 SER 22 HB1 SER 22 -14.351 -6.327 -6.648 207 HG SER 22 HG SER 22 -14.602 -8.095 -4.725 Start of MODEL 19 1 H1 LEU 1 HT1 LEU 1 9.866 -8.454 2.641 2 H2 LEU 1 HT2 LEU 1 10.657 -7.745 1.331 3 H3 LEU 1 HT3 LEU 1 9.940 -6.773 2.508 4 HA LEU 1 HA LEU 1 11.491 -7.505 4.154 5 HB2 LEU 1 HB2 LEU 1 12.379 -9.302 1.926 6 HB3 LEU 1 HB1 LEU 1 13.522 -8.812 3.157 7 HG LEU 1 HG LEU 1 11.978 -9.792 4.876 8 HD11 LEU 1 HD11 LEU 1 9.897 -9.784 3.683 9 HD12 LEU 1 HD12 LEU 1 10.331 -11.450 4.061 10 HD13 LEU 1 HD13 LEU 1 10.563 -10.829 2.429 11 HD21 LEU 1 HD21 LEU 1 12.614 -12.111 4.394 12 HD22 LEU 1 HD22 LEU 1 13.944 -10.987 4.113 13 HD23 LEU 1 HD23 LEU 1 13.039 -11.643 2.748 14 H ARG 2 HN ARG 2 11.047 -5.281 2.520 15 HA ARG 2 HA ARG 2 13.725 -4.182 2.445 16 HB2 ARG 2 HB2 ARG 2 12.966 -5.184 0.098 17 HB3 ARG 2 HB1 ARG 2 12.070 -3.675 0.010 18 HG2 ARG 2 HG2 ARG 2 14.094 -3.267 -1.091 19 HG3 ARG 2 HG1 ARG 2 14.262 -2.505 0.488 20 HD2 ARG 2 HD2 ARG 2 16.300 -3.635 0.065 21 HD3 ARG 2 HD1 ARG 2 15.427 -4.602 1.252 22 HE ARG 2 HE ARG 2 14.840 -5.505 -1.363 23 HH11 ARG 2 HH11 ARG 2 17.393 -5.537 1.029 24 HH12 ARG 2 HH12 ARG 2 18.123 -6.984 0.412 25 HH21 ARG 2 HH21 ARG 2 15.796 -7.415 -2.175 26 HH22 ARG 2 HH22 ARG 2 17.213 -8.052 -1.405 27 H LEU 3 HN LEU 3 13.424 -1.694 1.741 28 HA LEU 3 HA LEU 3 11.365 -0.732 3.505 29 HB2 LEU 3 HB2 LEU 3 13.538 0.300 3.631 30 HB3 LEU 3 HB1 LEU 3 13.476 0.721 1.929 31 HG LEU 3 HG LEU 3 11.668 2.296 2.346 32 HD11 LEU 3 HD11 LEU 3 10.565 1.114 4.162 33 HD12 LEU 3 HD12 LEU 3 10.925 2.782 4.619 34 HD13 LEU 3 HD13 LEU 3 11.926 1.465 5.231 35 HD21 LEU 3 HD21 LEU 3 12.899 3.930 3.690 36 HD22 LEU 3 HD22 LEU 3 13.955 3.102 2.544 37 HD23 LEU 3 HD23 LEU 3 13.980 2.653 4.250 38 H ILE 4 HN ILE 4 12.279 0.309 0.252 39 HA ILE 4 HA ILE 4 9.978 1.808 -0.202 40 HB ILE 4 HB ILE 4 11.986 0.615 -2.071 41 HG12 ILE 4 HG12 ILE 4 12.712 2.390 -0.519 42 HG13 ILE 4 HG11 ILE 4 12.800 2.899 -2.202 43 HG21 ILE 4 HG21 ILE 4 11.089 2.075 -3.835 44 HG22 ILE 4 HG22 ILE 4 9.725 2.470 -2.787 45 HG23 ILE 4 HG23 ILE 4 9.955 0.814 -3.351 46 HD11 ILE 4 HD11 ILE 4 10.689 3.651 -0.199 47 HD12 ILE 4 HD12 ILE 4 10.654 4.083 -1.907 48 HD13 ILE 4 HD13 ILE 4 11.943 4.692 -0.872 49 H HIS 5 HN HIS 5 10.611 -1.573 -0.818 50 HA HIS 5 HA HIS 5 8.340 -1.963 -2.522 51 HB2 HIS 5 HB2 HIS 5 9.972 -4.017 -1.009 52 HB3 HIS 5 HB1 HIS 5 8.832 -4.362 -2.306 53 HD1 HIS 5 HD1 HIS 5 9.800 -4.423 -4.619 54 HD2 HIS 5 HD2 HIS 5 12.214 -2.375 -1.923 55 HE1 HIS 5 HE1 HIS 5 11.883 -3.818 -5.896 56 HE2 HIS 5 HE2 HIS 5 13.403 -2.748 -4.193 57 H ALA 6 HN ALA 6 8.869 -1.786 0.822 58 HA ALA 6 HA ALA 6 6.332 -3.012 1.536 59 HB1 ALA 6 HB1 ALA 6 8.300 -3.346 2.973 60 HB2 ALA 6 HB2 ALA 6 7.010 -2.500 3.830 61 HB3 ALA 6 HB3 ALA 6 8.408 -1.602 3.226 62 H VAL 7 HN VAL 7 7.937 0.081 1.314 63 HA VAL 7 HA VAL 7 6.041 1.765 2.422 64 HB VAL 7 HB VAL 7 8.110 2.164 0.288 65 HG11 VAL 7 HG11 VAL 7 6.137 4.207 1.283 66 HG12 VAL 7 HG12 VAL 7 6.468 3.731 -0.390 67 HG13 VAL 7 HG13 VAL 7 7.675 4.632 0.534 68 HG21 VAL 7 HG21 VAL 7 8.904 1.885 2.539 69 HG22 VAL 7 HG22 VAL 7 7.812 3.144 3.116 70 HG23 VAL 7 HG23 VAL 7 9.144 3.557 2.033 71 H ARG 8 HN ARG 8 6.493 0.972 -1.007 72 HA ARG 8 HA ARG 8 4.388 2.583 -1.893 73 HB2 ARG 8 HB2 ARG 8 5.760 0.233 -3.173 74 HB3 ARG 8 HB1 ARG 8 4.618 1.279 -4.017 75 HG2 ARG 8 HG2 ARG 8 6.068 3.200 -3.592 76 HG3 ARG 8 HG1 ARG 8 7.207 2.155 -2.744 77 HD2 ARG 8 HD2 ARG 8 7.968 2.545 -5.015 78 HD3 ARG 8 HD1 ARG 8 7.518 0.853 -4.812 79 HE ARG 8 HE ARG 8 5.655 2.783 -6.025 80 HH11 ARG 8 HH11 ARG 8 7.524 -0.173 -6.213 81 HH12 ARG 8 HH12 ARG 8 6.771 -0.704 -7.681 82 HH21 ARG 8 HH21 ARG 8 4.665 2.079 -7.961 83 HH22 ARG 8 HH22 ARG 8 5.145 0.572 -8.673 84 H GLY 9 HN GLY 9 4.470 -0.872 -1.141 85 HA2 GLY 9 HA2 GLY 9 1.740 -1.304 -1.873 86 HA3 GLY 9 HA1 GLY 9 2.743 -2.399 -0.930 87 H TYR 10 HN TYR 10 3.173 0.222 0.749 88 HA TYR 10 HA TYR 10 1.185 -0.452 2.707 89 HB2 TYR 10 HB2 TYR 10 3.167 0.010 3.769 90 HB3 TYR 10 HB1 TYR 10 3.643 1.208 2.582 91 HD1 TYR 10 HD1 TYR 10 3.508 3.439 3.060 92 HD2 TYR 10 HD2 TYR 10 1.294 0.703 5.444 93 HE1 TYR 10 HE1 TYR 10 2.936 5.261 4.600 94 HE2 TYR 10 HE2 TYR 10 0.707 2.522 6.995 95 HH TYR 10 HH TYR 10 1.314 5.837 6.249 96 H TRP 11 HN TRP 11 2.058 2.604 1.020 97 HA TRP 11 HA TRP 11 -0.346 3.797 2.062 98 HB2 TRP 11 HB2 TRP 11 0.375 5.862 0.965 99 HB3 TRP 11 HB1 TRP 11 1.639 5.171 1.968 100 HD1 TRP 11 HD1 TRP 11 3.712 3.971 0.595 101 HE1 TRP 11 HE1 TRP 11 4.733 4.603 -1.682 102 HE3 TRP 11 HE3 TRP 11 -0.140 6.752 -1.274 103 HZ2 TRP 11 HZ2 TRP 11 4.005 6.088 -3.956 104 HZ3 TRP 11 HZ3 TRP 11 0.106 7.760 -3.506 105 HH2 TRP 11 HH2 TRP 11 2.137 7.433 -4.820 106 H LEU 12 HN LEU 12 0.708 2.574 -1.077 107 HA LEU 12 HA LEU 12 -1.401 3.668 -2.587 108 HB2 LEU 12 HB2 LEU 12 0.225 1.166 -3.010 109 HB3 LEU 12 HB1 LEU 12 -0.902 1.812 -4.191 110 HG LEU 12 HG LEU 12 1.476 3.333 -3.137 111 HD11 LEU 12 HD11 LEU 12 2.213 1.348 -4.363 112 HD12 LEU 12 HD12 LEU 12 2.546 2.820 -5.275 113 HD13 LEU 12 HD13 LEU 12 1.179 1.797 -5.720 114 HD21 LEU 12 HD21 LEU 12 -0.395 3.804 -5.452 115 HD22 LEU 12 HD22 LEU 12 1.051 4.751 -5.104 116 HD23 LEU 12 HD23 LEU 12 -0.296 4.750 -3.967 117 H THR 13 HN THR 13 -1.246 0.944 -0.466 118 HA THR 13 HA THR 13 -3.807 -0.095 -1.391 119 HB THR 13 HB THR 13 -1.676 -1.425 -0.507 120 HG1 THR 13 HG1 THR 13 -3.124 -2.870 -1.052 121 HG21 THR 13 HG21 THR 13 -2.072 -2.214 1.802 122 HG22 THR 13 HG22 THR 13 -3.343 -1.000 1.969 123 HG23 THR 13 HG23 THR 13 -1.668 -0.497 1.726 124 H ASN 14 HN ASN 14 -2.696 2.182 0.840 125 HA ASN 14 HA ASN 14 -4.830 1.637 2.775 126 HB2 ASN 14 HB2 ASN 14 -2.145 2.744 2.941 127 HB3 ASN 14 HB1 ASN 14 -3.341 3.705 3.804 128 HD21 ASN 14 HD21 ASN 14 -1.616 0.733 3.663 129 HD22 ASN 14 HD22 ASN 14 -2.134 0.107 5.192 130 H LYS 15 HN LYS 15 -3.401 4.429 1.077 131 HA LYS 15 HA LYS 15 -5.216 6.345 2.037 132 HB2 LYS 15 HB2 LYS 15 -3.884 6.466 -0.667 133 HB3 LYS 15 HB1 LYS 15 -4.340 7.808 0.372 134 HG2 LYS 15 HG2 LYS 15 -2.212 5.785 0.995 135 HG3 LYS 15 HG1 LYS 15 -1.918 7.393 0.332 136 HD2 LYS 15 HD2 LYS 15 -3.498 7.158 2.842 137 HD3 LYS 15 HD1 LYS 15 -1.758 6.901 2.925 138 HE2 LYS 15 HE2 LYS 15 -2.252 9.205 3.403 139 HE3 LYS 15 HE1 LYS 15 -1.418 9.102 1.862 140 HZ1 LYS 15 HZ1 LYS 15 -3.271 10.655 1.803 141 HZ2 LYS 15 HZ2 LYS 15 -4.349 9.419 2.209 142 HZ3 LYS 15 HZ3 LYS 15 -3.523 9.371 0.734 143 H VAL 16 HN VAL 16 -5.289 4.204 -0.664 144 HA VAL 16 HA VAL 16 -7.525 5.160 -2.038 145 HB VAL 16 HB VAL 16 -6.073 3.609 -3.114 146 HG11 VAL 16 HG11 VAL 16 -5.664 1.354 -2.321 147 HG12 VAL 16 HG12 VAL 16 -6.760 1.605 -0.965 148 HG13 VAL 16 HG13 VAL 16 -5.248 2.516 -1.052 149 HG21 VAL 16 HG21 VAL 16 -8.683 2.215 -2.511 150 HG22 VAL 16 HG22 VAL 16 -7.611 1.853 -3.866 151 HG23 VAL 16 HG23 VAL 16 -8.414 3.421 -3.771 152 HA PRO 17 HA PRO 17 -10.553 3.914 1.080 153 HB2 PRO 17 HB2 PRO 17 -12.653 5.136 -0.154 154 HB3 PRO 17 HB1 PRO 17 -11.525 5.989 0.904 155 HG2 PRO 17 HG2 PRO 17 -11.620 5.888 -2.080 156 HG3 PRO 17 HG1 PRO 17 -11.266 7.260 -1.014 157 HD2 PRO 17 HD2 PRO 17 -9.333 5.849 -2.308 158 HD3 PRO 17 HD1 PRO 17 -9.069 6.640 -0.743 159 H ILE 18 HN ILE 18 -11.147 1.877 0.946 160 HA ILE 18 HA ILE 18 -12.024 0.757 -1.604 161 HB ILE 18 HB ILE 18 -11.996 -1.431 -0.347 162 HG12 ILE 18 HG12 ILE 18 -10.652 0.259 1.778 163 HG13 ILE 18 HG11 ILE 18 -12.229 -0.509 1.930 164 HG21 ILE 18 HG21 ILE 18 -10.166 -0.767 -1.788 165 HG22 ILE 18 HG22 ILE 18 -9.540 -1.596 -0.364 166 HG23 ILE 18 HG23 ILE 18 -9.438 0.160 -0.477 167 HD11 ILE 18 HD11 ILE 18 -9.597 -1.929 1.603 168 HD12 ILE 18 HD12 ILE 18 -11.174 -2.702 1.758 169 HD13 ILE 18 HD13 ILE 18 -10.515 -1.764 3.099 170 H LYS 19 HN LYS 19 -13.854 2.447 -1.007 171 HA LYS 19 HA LYS 19 -15.922 1.092 0.586 172 HB2 LYS 19 HB2 LYS 19 -15.607 4.029 -0.042 173 HB3 LYS 19 HB1 LYS 19 -16.899 3.327 0.919 174 HG2 LYS 19 HG2 LYS 19 -15.273 2.568 2.570 175 HG3 LYS 19 HG1 LYS 19 -13.967 3.239 1.597 176 HD2 LYS 19 HD2 LYS 19 -14.298 4.898 3.169 177 HD3 LYS 19 HD1 LYS 19 -15.285 5.463 1.824 178 HE2 LYS 19 HE2 LYS 19 -16.335 3.899 4.174 179 HE3 LYS 19 HE1 LYS 19 -16.379 5.653 4.053 180 HZ1 LYS 19 HZ1 LYS 19 -17.793 3.699 2.325 181 HZ2 LYS 19 HZ2 LYS 19 -17.713 5.355 1.994 182 HZ3 LYS 19 HZ3 LYS 19 -18.480 4.811 3.398 183 H ARG 20 HN ARG 20 -15.103 2.099 -2.569 184 HA ARG 20 HA ARG 20 -17.874 2.251 -3.447 185 HB2 ARG 20 HB2 ARG 20 -15.291 2.521 -4.989 186 HB3 ARG 20 HB1 ARG 20 -16.881 2.583 -5.729 187 HG2 ARG 20 HG2 ARG 20 -16.400 4.807 -5.498 188 HG3 ARG 20 HG1 ARG 20 -17.297 4.497 -4.013 189 HD2 ARG 20 HD2 ARG 20 -15.172 4.222 -2.811 190 HD3 ARG 20 HD1 ARG 20 -14.299 4.576 -4.301 191 HE ARG 20 HE ARG 20 -16.186 6.546 -3.223 192 HH11 ARG 20 HH11 ARG 20 -12.907 5.647 -4.057 193 HH12 ARG 20 HH12 ARG 20 -12.284 7.253 -3.866 194 HH21 ARG 20 HH21 ARG 20 -15.369 8.661 -2.971 195 HH22 ARG 20 HH22 ARG 20 -13.682 8.965 -3.238 196 HA PRO 21 HA PRO 21 -17.720 -2.038 -4.678 197 HB2 PRO 21 HB2 PRO 21 -20.318 -2.318 -5.254 198 HB3 PRO 21 HB1 PRO 21 -19.770 -2.134 -3.584 199 HG2 PRO 21 HG2 PRO 21 -21.072 -0.153 -5.380 200 HG3 PRO 21 HG1 PRO 21 -21.221 -0.349 -3.625 201 HD2 PRO 21 HD2 PRO 21 -19.596 1.516 -4.972 202 HD3 PRO 21 HD1 PRO 21 -19.521 1.107 -3.250 203 H SER 22 HN SER 22 -17.072 0.202 -6.491 204 HA SER 22 HA SER 22 -17.405 -1.143 -8.993 205 HB2 SER 22 HB2 SER 22 -18.506 0.841 -10.107 206 HB3 SER 22 HB1 SER 22 -19.550 -0.044 -8.995 207 HG SER 22 HG SER 22 -18.080 2.278 -8.291 Start of MODEL 20 1 H1 LEU 1 HT1 LEU 1 13.647 -8.473 3.306 2 H2 LEU 1 HT2 LEU 1 13.211 -8.982 1.757 3 H3 LEU 1 HT3 LEU 1 12.308 -9.482 3.096 4 HA LEU 1 HA LEU 1 11.185 -7.765 1.852 5 HB2 LEU 1 HB2 LEU 1 10.868 -6.171 3.779 6 HB3 LEU 1 HB1 LEU 1 10.607 -7.864 4.137 7 HG LEU 1 HG LEU 1 13.041 -7.834 5.025 8 HD11 LEU 1 HD11 LEU 1 12.414 -4.887 5.114 9 HD12 LEU 1 HD12 LEU 1 13.672 -5.652 4.144 10 HD13 LEU 1 HD13 LEU 1 13.777 -5.680 5.903 11 HD21 LEU 1 HD21 LEU 1 12.261 -7.087 7.220 12 HD22 LEU 1 HD22 LEU 1 11.084 -8.134 6.426 13 HD23 LEU 1 HD23 LEU 1 10.826 -6.389 6.469 14 H ARG 2 HN ARG 2 11.068 -5.403 1.474 15 HA ARG 2 HA ARG 2 13.654 -4.059 1.336 16 HB2 ARG 2 HB2 ARG 2 13.102 -5.357 -0.827 17 HB3 ARG 2 HB1 ARG 2 11.876 -4.127 -1.076 18 HG2 ARG 2 HG2 ARG 2 14.016 -3.760 -2.296 19 HG3 ARG 2 HG1 ARG 2 13.504 -2.421 -1.278 20 HD2 ARG 2 HD2 ARG 2 15.921 -2.875 -1.105 21 HD3 ARG 2 HD1 ARG 2 15.095 -3.088 0.437 22 HE ARG 2 HE ARG 2 15.272 -5.541 -0.994 23 HH11 ARG 2 HH11 ARG 2 17.180 -3.319 0.916 24 HH12 ARG 2 HH12 ARG 2 18.232 -4.552 1.530 25 HH21 ARG 2 HH21 ARG 2 16.669 -7.170 -0.200 26 HH22 ARG 2 HH22 ARG 2 17.941 -6.743 0.901 27 H LEU 3 HN LEU 3 13.463 -1.973 1.793 28 HA LEU 3 HA LEU 3 11.256 -1.157 3.204 29 HB2 LEU 3 HB2 LEU 3 13.362 -0.130 3.610 30 HB3 LEU 3 HB1 LEU 3 13.449 0.472 1.965 31 HG LEU 3 HG LEU 3 11.581 2.006 2.424 32 HD11 LEU 3 HD11 LEU 3 11.768 0.952 5.241 33 HD12 LEU 3 HD12 LEU 3 10.435 0.687 4.115 34 HD13 LEU 3 HD13 LEU 3 10.781 2.314 4.705 35 HD21 LEU 3 HD21 LEU 3 12.781 3.535 3.882 36 HD22 LEU 3 HD22 LEU 3 13.888 2.750 2.754 37 HD23 LEU 3 HD23 LEU 3 13.815 2.217 4.433 38 H ILE 4 HN ILE 4 12.207 0.185 0.076 39 HA ILE 4 HA ILE 4 10.067 1.958 -0.122 40 HB ILE 4 HB ILE 4 11.894 0.781 -2.178 41 HG12 ILE 4 HG12 ILE 4 12.802 2.296 -0.432 42 HG13 ILE 4 HG11 ILE 4 12.973 2.940 -2.064 43 HG21 ILE 4 HG21 ILE 4 9.859 1.334 -3.363 44 HG22 ILE 4 HG22 ILE 4 11.118 2.507 -3.749 45 HG23 ILE 4 HG23 ILE 4 9.832 2.934 -2.618 46 HD11 ILE 4 HD11 ILE 4 11.013 4.365 -1.677 47 HD12 ILE 4 HD12 ILE 4 12.317 4.680 -0.534 48 HD13 ILE 4 HD13 ILE 4 10.910 3.746 -0.030 49 H HIS 5 HN HIS 5 10.274 -1.404 -0.939 50 HA HIS 5 HA HIS 5 7.947 -1.378 -2.645 51 HB2 HIS 5 HB2 HIS 5 9.393 -3.740 -1.421 52 HB3 HIS 5 HB1 HIS 5 8.220 -3.806 -2.735 53 HD1 HIS 5 HD1 HIS 5 9.213 -3.796 -5.016 54 HD2 HIS 5 HD2 HIS 5 11.748 -2.112 -2.195 55 HE1 HIS 5 HE1 HIS 5 11.344 -3.271 -6.234 56 HE2 HIS 5 HE2 HIS 5 12.896 -2.343 -4.499 57 H ALA 6 HN ALA 6 8.678 -1.850 0.692 58 HA ALA 6 HA ALA 6 6.074 -2.919 1.342 59 HB1 ALA 6 HB1 ALA 6 8.239 -1.873 3.173 60 HB2 ALA 6 HB2 ALA 6 8.112 -3.549 2.627 61 HB3 ALA 6 HB3 ALA 6 6.847 -2.853 3.640 62 H VAL 7 HN VAL 7 7.841 0.061 1.369 63 HA VAL 7 HA VAL 7 6.042 1.753 2.621 64 HB VAL 7 HB VAL 7 8.041 2.142 0.418 65 HG11 VAL 7 HG11 VAL 7 6.403 3.735 -0.211 66 HG12 VAL 7 HG12 VAL 7 7.657 4.620 0.670 67 HG13 VAL 7 HG13 VAL 7 6.135 4.221 1.470 68 HG21 VAL 7 HG21 VAL 7 9.136 3.527 2.134 69 HG22 VAL 7 HG22 VAL 7 8.900 1.850 2.629 70 HG23 VAL 7 HG23 VAL 7 7.836 3.111 3.253 71 H ARG 8 HN ARG 8 6.374 0.975 -0.790 72 HA ARG 8 HA ARG 8 4.179 2.465 -1.667 73 HB2 ARG 8 HB2 ARG 8 5.709 0.166 -2.830 74 HB3 ARG 8 HB1 ARG 8 4.435 1.009 -3.724 75 HG2 ARG 8 HG2 ARG 8 5.685 3.130 -3.369 76 HG3 ARG 8 HG1 ARG 8 6.989 2.189 -2.640 77 HD2 ARG 8 HD2 ARG 8 7.437 2.687 -5.002 78 HD3 ARG 8 HD1 ARG 8 7.283 0.955 -4.719 79 HE ARG 8 HE ARG 8 5.077 1.061 -5.709 80 HH11 ARG 8 HH11 ARG 8 7.094 3.881 -6.192 81 HH12 ARG 8 HH12 ARG 8 6.243 4.401 -7.608 82 HH21 ARG 8 HH21 ARG 8 3.946 1.752 -7.556 83 HH22 ARG 8 HH22 ARG 8 4.453 3.187 -8.393 84 H GLY 9 HN GLY 9 4.479 -0.953 -0.805 85 HA2 GLY 9 HA2 GLY 9 1.760 -1.572 -1.397 86 HA3 GLY 9 HA1 GLY 9 2.850 -2.545 -0.415 87 H TYR 10 HN TYR 10 3.120 0.296 0.987 88 HA TYR 10 HA TYR 10 1.103 -0.263 2.986 89 HB2 TYR 10 HB2 TYR 10 3.090 0.213 4.058 90 HB3 TYR 10 HB1 TYR 10 3.600 1.357 2.829 91 HD1 TYR 10 HD1 TYR 10 3.583 3.570 3.299 92 HD2 TYR 10 HD2 TYR 10 1.032 1.006 5.529 93 HE1 TYR 10 HE1 TYR 10 2.945 5.464 4.722 94 HE2 TYR 10 HE2 TYR 10 0.377 2.895 6.965 95 HH TYR 10 HH TYR 10 1.206 5.064 7.648 96 H TRP 11 HN TRP 11 2.133 2.648 1.100 97 HA TRP 11 HA TRP 11 -0.314 3.933 1.917 98 HB2 TRP 11 HB2 TRP 11 0.483 5.923 0.757 99 HB3 TRP 11 HB1 TRP 11 1.682 5.287 1.870 100 HD1 TRP 11 HD1 TRP 11 3.838 4.032 0.688 101 HE1 TRP 11 HE1 TRP 11 4.991 4.561 -1.551 102 HE3 TRP 11 HE3 TRP 11 0.098 6.688 -1.536 103 HZ2 TRP 11 HZ2 TRP 11 4.398 5.935 -3.939 104 HZ3 TRP 11 HZ3 TRP 11 0.471 7.597 -3.796 105 HH2 TRP 11 HH2 TRP 11 2.578 7.223 -4.972 106 H LEU 12 HN LEU 12 0.829 2.411 -1.045 107 HA LEU 12 HA LEU 12 -1.199 3.537 -2.713 108 HB2 LEU 12 HB2 LEU 12 0.516 1.074 -3.036 109 HB3 LEU 12 HB1 LEU 12 -0.594 1.654 -4.264 110 HG LEU 12 HG LEU 12 1.757 3.220 -3.203 111 HD11 LEU 12 HD11 LEU 12 2.470 1.250 -4.469 112 HD12 LEU 12 HD12 LEU 12 2.797 2.739 -5.357 113 HD13 LEU 12 HD13 LEU 12 1.423 1.728 -5.805 114 HD21 LEU 12 HD21 LEU 12 1.294 4.665 -5.138 115 HD22 LEU 12 HD22 LEU 12 -0.032 4.636 -3.978 116 HD23 LEU 12 HD23 LEU 12 -0.155 3.716 -5.478 117 H THR 13 HN THR 13 -0.935 0.860 -0.597 118 HA THR 13 HA THR 13 -3.425 -0.347 -1.446 119 HB THR 13 HB THR 13 -1.052 -1.104 0.096 120 HG1 THR 13 HG1 THR 13 -2.982 -2.617 -1.355 121 HG21 THR 13 HG21 THR 13 -2.157 -2.849 1.415 122 HG22 THR 13 HG22 THR 13 -3.724 -2.161 0.986 123 HG23 THR 13 HG23 THR 13 -2.578 -1.219 1.941 124 H ASN 14 HN ASN 14 -2.483 2.133 0.574 125 HA ASN 14 HA ASN 14 -4.449 1.640 2.667 126 HB2 ASN 14 HB2 ASN 14 -1.949 2.843 2.594 127 HB3 ASN 14 HB1 ASN 14 -3.072 4.185 2.776 128 HD21 ASN 14 HD21 ASN 14 -1.768 1.326 4.188 129 HD22 ASN 14 HD22 ASN 14 -2.396 1.570 5.779 130 H LYS 15 HN LYS 15 -3.610 4.268 0.411 131 HA LYS 15 HA LYS 15 -5.709 5.977 1.208 132 HB2 LYS 15 HB2 LYS 15 -4.356 6.020 -1.485 133 HB3 LYS 15 HB1 LYS 15 -5.050 7.374 -0.601 134 HG2 LYS 15 HG2 LYS 15 -2.604 5.806 0.177 135 HG3 LYS 15 HG1 LYS 15 -2.625 7.432 -0.515 136 HD2 LYS 15 HD2 LYS 15 -3.805 8.272 1.441 137 HD3 LYS 15 HD1 LYS 15 -3.868 6.647 2.124 138 HE2 LYS 15 HE2 LYS 15 -1.414 6.602 2.207 139 HE3 LYS 15 HE1 LYS 15 -1.370 8.241 1.559 140 HZ1 LYS 15 HZ1 LYS 15 -2.588 8.988 3.518 141 HZ2 LYS 15 HZ2 LYS 15 -1.128 8.258 3.948 142 HZ3 LYS 15 HZ3 LYS 15 -2.580 7.417 4.143 143 H VAL 16 HN VAL 16 -5.457 3.521 -1.199 144 HA VAL 16 HA VAL 16 -7.812 3.977 -2.636 145 HB VAL 16 HB VAL 16 -6.227 2.500 -3.578 146 HG11 VAL 16 HG11 VAL 16 -5.411 0.486 -2.498 147 HG12 VAL 16 HG12 VAL 16 -6.433 0.800 -1.097 148 HG13 VAL 16 HG13 VAL 16 -5.101 1.897 -1.476 149 HG21 VAL 16 HG21 VAL 16 -8.515 1.805 -4.021 150 HG22 VAL 16 HG22 VAL 16 -8.517 0.817 -2.562 151 HG23 VAL 16 HG23 VAL 16 -7.459 0.399 -3.910 152 HA PRO 17 HA PRO 17 -10.640 2.761 0.679 153 HB2 PRO 17 HB2 PRO 17 -12.891 3.415 -0.728 154 HB3 PRO 17 HB1 PRO 17 -11.949 4.586 0.198 155 HG2 PRO 17 HG2 PRO 17 -11.967 4.060 -2.738 156 HG3 PRO 17 HG1 PRO 17 -11.836 5.602 -1.874 157 HD2 PRO 17 HD2 PRO 17 -9.697 4.324 -2.977 158 HD3 PRO 17 HD1 PRO 17 -9.573 5.368 -1.553 159 H ILE 18 HN ILE 18 -10.945 0.657 0.886 160 HA ILE 18 HA ILE 18 -11.623 -0.899 -1.508 161 HB ILE 18 HB ILE 18 -10.600 -2.853 -0.322 162 HG12 ILE 18 HG12 ILE 18 -9.636 -0.701 1.577 163 HG13 ILE 18 HG11 ILE 18 -10.757 -1.999 1.971 164 HG21 ILE 18 HG21 ILE 18 -9.397 -1.614 -2.046 165 HG22 ILE 18 HG22 ILE 18 -8.298 -2.196 -0.798 166 HG23 ILE 18 HG23 ILE 18 -8.782 -0.502 -0.824 167 HD11 ILE 18 HD11 ILE 18 -8.987 -3.638 1.561 168 HD12 ILE 18 HD12 ILE 18 -8.541 -2.480 2.814 169 HD13 ILE 18 HD13 ILE 18 -7.868 -2.325 1.193 170 H LYS 19 HN LYS 19 -13.492 0.394 0.221 171 HA LYS 19 HA LYS 19 -14.933 -1.927 1.297 172 HB2 LYS 19 HB2 LYS 19 -15.431 1.036 1.644 173 HB3 LYS 19 HB1 LYS 19 -16.509 -0.215 2.247 174 HG2 LYS 19 HG2 LYS 19 -14.671 -1.096 3.630 175 HG3 LYS 19 HG1 LYS 19 -13.647 0.223 3.067 176 HD2 LYS 19 HD2 LYS 19 -16.258 0.590 4.531 177 HD3 LYS 19 HD1 LYS 19 -14.670 0.625 5.298 178 HE2 LYS 19 HE2 LYS 19 -15.562 2.477 3.091 179 HE3 LYS 19 HE1 LYS 19 -15.580 2.878 4.806 180 HZ1 LYS 19 HZ1 LYS 19 -13.187 2.602 4.868 181 HZ2 LYS 19 HZ2 LYS 19 -13.611 3.739 3.691 182 HZ3 LYS 19 HZ3 LYS 19 -13.160 2.177 3.235 183 H ARG 20 HN ARG 20 -14.984 0.581 -1.097 184 HA ARG 20 HA ARG 20 -17.539 -0.065 -2.205 185 HB2 ARG 20 HB2 ARG 20 -16.814 1.345 -4.094 186 HB3 ARG 20 HB1 ARG 20 -16.529 2.145 -2.554 187 HG2 ARG 20 HG2 ARG 20 -14.193 1.683 -2.657 188 HG3 ARG 20 HG1 ARG 20 -14.410 0.627 -4.053 189 HD2 ARG 20 HD2 ARG 20 -15.137 2.544 -5.384 190 HD3 ARG 20 HD1 ARG 20 -14.913 3.599 -3.989 191 HE ARG 20 HE ARG 20 -12.511 2.918 -4.095 192 HH11 ARG 20 HH11 ARG 20 -14.510 2.748 -6.972 193 HH12 ARG 20 HH12 ARG 20 -13.177 2.995 -8.057 194 HH21 ARG 20 HH21 ARG 20 -10.764 3.238 -5.538 195 HH22 ARG 20 HH22 ARG 20 -11.062 3.271 -7.243 196 HA PRO 21 HA PRO 21 -16.123 -3.429 -4.828 197 HB2 PRO 21 HB2 PRO 21 -18.188 -3.512 -6.557 198 HB3 PRO 21 HB1 PRO 21 -18.339 -4.081 -4.891 199 HG2 PRO 21 HG2 PRO 21 -19.219 -1.492 -6.092 200 HG3 PRO 21 HG1 PRO 21 -20.055 -2.521 -4.918 201 HD2 PRO 21 HD2 PRO 21 -18.649 -0.265 -4.250 202 HD3 PRO 21 HD1 PRO 21 -18.916 -1.629 -3.148 203 H SER 22 HN SER 22 -14.842 -1.054 -5.265 204 HA SER 22 HA SER 22 -13.737 0.231 -6.750 205 HB2 SER 22 HB2 SER 22 -14.463 -1.935 -8.735 206 HB3 SER 22 HB1 SER 22 -13.150 -0.767 -8.889 207 HG SER 22 HG SER 22 -13.242 -3.114 -7.496
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