NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616004 | 5vfw | 30281 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 2.110 1.010 -1.624 3 HB1 ALA 1 HB1 ALA 1 4.183 0.422 -1.080 4 HB2 ALA 1 HB2 ALA 1 3.607 -0.827 0.024 5 HB3 ALA 1 HB3 ALA 1 3.813 -1.191 -1.690 6 H MET 2 H MET 2 2.367 0.074 -3.759 7 HA MET 2 HA MET 2 0.500 -2.158 -4.216 8 HB2 MET 2 HB2 MET 2 0.303 -1.124 -6.548 9 HB3 MET 2 HB3 MET 2 -0.469 -0.267 -5.221 10 HG2 MET 2 HG2 MET 2 1.143 1.412 -5.205 11 HG3 MET 2 HG3 MET 2 2.297 0.439 -6.114 12 HE1 MET 2 HE1 MET 2 -0.338 3.173 -6.253 13 HE2 MET 2 HE2 MET 2 1.352 3.531 -6.609 14 HE3 MET 2 HE3 MET 2 0.124 3.739 -7.859 15 H VAL 3 H VAL 3 1.479 -3.976 -4.782 16 HA VAL 3 HA VAL 3 4.145 -3.892 -5.963 17 HB VAL 3 HB VAL 3 4.216 -6.297 -5.573 18 HG11 VAL 3 HG11 VAL 3 3.141 -5.575 -2.973 19 HG12 VAL 3 HG12 VAL 3 4.795 -5.969 -3.444 20 HG13 VAL 3 HG13 VAL 3 4.188 -4.324 -3.641 21 HG21 VAL 3 HG21 VAL 3 2.204 -7.297 -5.814 22 HG22 VAL 3 HG22 VAL 3 2.111 -7.045 -4.071 23 HG23 VAL 3 HG23 VAL 3 1.318 -5.915 -5.169 24 H SER 4 H SER 4 4.689 -5.050 -7.870 25 HA SER 4 HA SER 4 2.412 -5.600 -9.656 26 HB2 SER 4 HB2 SER 4 4.156 -4.822 -11.479 27 HB3 SER 4 HB3 SER 4 3.182 -3.638 -10.608 28 HG SER 4 HG SER 4 5.881 -4.040 -10.573 29 H GLU 5 H GLU 5 3.332 -7.678 -8.301 30 HA GLU 5 HA GLU 5 5.567 -9.006 -9.433 31 HB2 GLU 5 HB2 GLU 5 4.702 -11.002 -8.268 32 HB3 GLU 5 HB3 GLU 5 4.760 -9.592 -7.220 33 HG2 GLU 5 HG2 GLU 5 2.294 -9.275 -7.834 34 HG3 GLU 5 HG3 GLU 5 2.372 -10.932 -8.430 35 H PHE 6 H PHE 6 2.139 -8.958 -10.181 36 HA PHE 6 HA PHE 6 2.369 -11.089 -12.125 37 HB2 PHE 6 HB2 PHE 6 -0.006 -10.742 -12.508 38 HB3 PHE 6 HB3 PHE 6 0.311 -10.798 -10.777 39 HD1 PHE 6 HD1 PHE 6 -0.681 -8.689 -13.589 40 HD2 PHE 6 HD2 PHE 6 0.072 -8.825 -9.402 41 HE1 PHE 6 HE1 PHE 6 -1.810 -6.520 -13.319 42 HE2 PHE 6 HE2 PHE 6 -1.057 -6.657 -9.125 43 HZ PHE 6 HZ PHE 6 -2.001 -5.502 -11.085 44 H LEU 7 H LEU 7 2.294 -7.597 -12.069 45 HA LEU 7 HA LEU 7 1.962 -7.329 -14.917 46 HB2 LEU 7 HB2 LEU 7 1.208 -5.657 -13.187 47 HB3 LEU 7 HB3 LEU 7 2.906 -5.234 -12.972 48 HG LEU 7 HG LEU 7 1.474 -3.733 -14.467 49 HD11 LEU 7 HD11 LEU 7 4.184 -4.543 -14.592 50 HD12 LEU 7 HD12 LEU 7 3.475 -2.998 -15.063 51 HD13 LEU 7 HD13 LEU 7 3.616 -4.299 -16.245 52 HD21 LEU 7 HD21 LEU 7 0.562 -5.848 -15.663 53 HD22 LEU 7 HD22 LEU 7 2.054 -5.750 -16.598 54 HD23 LEU 7 HD23 LEU 7 0.916 -4.402 -16.609 55 H LYS 8 H LYS 8 4.595 -7.640 -12.694 56 HA LYS 8 HA LYS 8 6.623 -6.555 -14.381 57 HB2 LYS 8 HB2 LYS 8 6.559 -8.134 -11.852 58 HB3 LYS 8 HB3 LYS 8 8.061 -8.103 -12.766 59 HG2 LYS 8 HG2 LYS 8 6.635 -5.569 -12.051 60 HG3 LYS 8 HG3 LYS 8 7.718 -6.368 -10.910 61 HD2 LYS 8 HD2 LYS 8 8.584 -5.728 -13.713 62 HD3 LYS 8 HD3 LYS 8 8.695 -4.534 -12.417 63 HE2 LYS 8 HE2 LYS 8 9.811 -7.251 -11.941 64 HE3 LYS 8 HE3 LYS 8 10.704 -6.154 -12.992 65 HZ1 LYS 8 HZ1 LYS 8 11.481 -5.129 -11.209 66 HZ2 LYS 8 HZ2 LYS 8 10.637 -6.192 -10.200 67 HZ3 LYS 8 HZ3 LYS 8 9.913 -4.748 -10.701 68 H GLN 9 H GLN 9 4.758 -9.240 -14.742 69 HA GLN 9 HA GLN 9 6.782 -10.517 -16.443 70 HB2 GLN 9 HB2 GLN 9 6.258 -12.688 -15.695 71 HB3 GLN 9 HB3 GLN 9 6.419 -11.730 -14.229 72 HG2 GLN 9 HG2 GLN 9 3.808 -11.449 -14.576 73 HG3 GLN 9 HG3 GLN 9 4.017 -12.975 -15.434 74 HE21 GLN 9 HE21 GLN 9 2.884 -14.162 -13.928 75 HE22 GLN 9 HE22 GLN 9 3.497 -14.497 -12.348 76 H ALA 10 H ALA 10 3.426 -9.823 -15.762 77 HA ALA 10 HA ALA 10 2.051 -11.210 -17.661 78 HB1 ALA 10 HB1 ALA 10 1.710 -8.457 -16.560 79 HB2 ALA 10 HB2 ALA 10 0.656 -9.014 -17.860 80 HB3 ALA 10 HB3 ALA 10 0.711 -9.892 -16.331 81 H TRP 11 H TRP 11 4.107 -8.401 -18.163 82 HA TRP 11 HA TRP 11 3.498 -8.416 -21.025 83 HB2 TRP 11 HB2 TRP 11 5.091 -6.482 -19.330 84 HB3 TRP 11 HB3 TRP 11 4.865 -6.326 -21.070 85 HD1 TRP 11 HD1 TRP 11 3.617 -4.731 -18.197 86 HE1 TRP 11 HE1 TRP 11 1.191 -3.909 -18.457 87 HE3 TRP 11 HE3 TRP 11 2.250 -7.511 -22.264 88 HZ2 TRP 11 HZ2 TRP 11 -1.010 -4.379 -20.161 89 HZ3 TRP 11 HZ3 TRP 11 -0.033 -7.266 -23.146 90 HH2 TRP 11 HH2 TRP 11 -1.628 -5.732 -22.115 91 H PHE 12 H PHE 12 5.978 -9.271 -18.761 92 HA PHE 12 HA PHE 12 7.799 -9.898 -20.990 93 HB2 PHE 12 HB2 PHE 12 8.806 -9.873 -18.192 94 HB3 PHE 12 HB3 PHE 12 9.608 -9.384 -19.682 95 HD1 PHE 12 HD1 PHE 12 7.042 -8.349 -17.219 96 HD2 PHE 12 HD2 PHE 12 9.709 -7.135 -20.305 97 HE1 PHE 12 HE1 PHE 12 6.583 -5.992 -16.683 98 HE2 PHE 12 HE2 PHE 12 9.256 -4.776 -19.773 99 HZ PHE 12 HZ PHE 12 7.692 -4.202 -17.960 100 H ILE 13 H ILE 13 7.612 -11.968 -21.542 101 HA ILE 13 HA ILE 13 7.652 -13.983 -19.402 102 HB ILE 13 HB ILE 13 6.250 -15.187 -21.481 103 HG12 ILE 13 HG12 ILE 13 5.136 -12.425 -20.940 104 HG13 ILE 13 HG13 ILE 13 5.837 -12.966 -22.461 105 HG21 ILE 13 HG21 ILE 13 4.367 -15.145 -19.878 106 HG22 ILE 13 HG22 ILE 13 5.895 -15.618 -19.137 107 HG23 ILE 13 HG23 ILE 13 5.266 -13.988 -18.896 108 HD11 ILE 13 HD11 ILE 13 3.173 -13.415 -21.348 109 HD12 ILE 13 HD12 ILE 13 3.720 -13.387 -23.025 110 HD13 ILE 13 HD13 ILE 13 3.923 -14.846 -22.055 111 H GLU 14 H GLU 14 9.542 -14.985 -19.610 112 HA GLU 14 HA GLU 14 10.741 -15.327 -22.244 113 HB2 GLU 14 HB2 GLU 14 11.791 -15.909 -19.470 114 HB3 GLU 14 HB3 GLU 14 12.701 -16.176 -20.951 115 HG2 GLU 14 HG2 GLU 14 12.705 -13.833 -21.443 116 HG3 GLU 14 HG3 GLU 14 11.622 -13.503 -20.092 117 H ASN 15 H ASN 15 11.044 -17.253 -23.255 118 HA ASN 15 HA ASN 15 9.303 -19.359 -22.827 119 HB2 ASN 15 HB2 ASN 15 11.970 -19.284 -24.244 120 HB3 ASN 15 HB3 ASN 15 10.904 -20.686 -24.279 121 HD21 ASN 15 HD21 ASN 15 9.145 -20.680 -25.579 122 HD22 ASN 15 HD22 ASN 15 8.753 -19.395 -26.666 123 H GLU 16 H GLU 16 12.547 -18.852 -21.568 124 HA GLU 16 HA GLU 16 12.996 -21.423 -20.536 125 HB2 GLU 16 HB2 GLU 16 14.037 -18.704 -19.775 126 HB3 GLU 16 HB3 GLU 16 14.526 -20.151 -18.905 127 HG2 GLU 16 HG2 GLU 16 14.769 -20.121 -21.867 128 HG3 GLU 16 HG3 GLU 16 15.937 -19.213 -20.908 129 H GLU 17 H GLU 17 11.398 -18.592 -19.156 130 HA GLU 17 HA GLU 17 10.655 -20.202 -16.809 131 HB2 GLU 17 HB2 GLU 17 10.952 -17.247 -17.245 132 HB3 GLU 17 HB3 GLU 17 9.955 -17.857 -15.932 133 HG2 GLU 17 HG2 GLU 17 12.031 -19.230 -15.282 134 HG3 GLU 17 HG3 GLU 17 12.907 -18.113 -16.328 135 H GLN 18 H GLN 18 9.350 -20.535 -19.330 136 HA GLN 18 HA GLN 18 6.768 -19.210 -19.008 137 HB2 GLN 18 HB2 GLN 18 8.262 -20.212 -21.227 138 HB3 GLN 18 HB3 GLN 18 6.723 -21.060 -21.163 139 HG2 GLN 18 HG2 GLN 18 5.749 -18.654 -20.870 140 HG3 GLN 18 HG3 GLN 18 7.279 -18.169 -21.598 141 HE21 GLN 18 HE21 GLN 18 5.330 -17.428 -23.062 142 HE22 GLN 18 HE22 GLN 18 5.023 -18.473 -24.402 143 H GLU 19 H GLU 19 4.795 -20.611 -19.372 144 HA GLU 19 HA GLU 19 4.900 -22.804 -17.480 145 HB2 GLU 19 HB2 GLU 19 3.074 -21.011 -17.591 146 HB3 GLU 19 HB3 GLU 19 2.471 -21.875 -18.998 147 HG2 GLU 19 HG2 GLU 19 1.196 -22.841 -17.393 148 HG3 GLU 19 HG3 GLU 19 2.581 -23.930 -17.352 149 H TYR 20 H TYR 20 5.312 -24.810 -18.096 150 HA TYR 20 HA TYR 20 3.965 -26.021 -20.308 151 HB2 TYR 20 HB2 TYR 20 6.738 -25.055 -20.631 152 HB3 TYR 20 HB3 TYR 20 6.448 -26.708 -21.162 153 HD1 TYR 20 HD1 TYR 20 4.035 -26.849 -22.500 154 HD2 TYR 20 HD2 TYR 20 6.654 -23.501 -22.321 155 HE1 TYR 20 HE1 TYR 20 3.097 -26.009 -24.613 156 HE2 TYR 20 HE2 TYR 20 5.722 -22.651 -24.432 157 HH TYR 20 HH TYR 20 3.957 -24.463 -26.522 158 H VAL 21 H VAL 21 3.962 -28.237 -20.176 159 HA VAL 21 HA VAL 21 4.869 -29.359 -17.682 160 HB VAL 21 HB VAL 21 3.779 -31.423 -18.430 161 HG11 VAL 21 HG11 VAL 21 1.999 -30.445 -17.527 162 HG12 VAL 21 HG12 VAL 21 2.498 -28.860 -18.122 163 HG13 VAL 21 HG13 VAL 21 1.535 -29.925 -19.147 164 HG21 VAL 21 HG21 VAL 21 3.251 -29.911 -20.987 165 HG22 VAL 21 HG22 VAL 21 4.326 -31.297 -20.803 166 HG23 VAL 21 HG23 VAL 21 2.589 -31.493 -20.572 167 H GLN 22 H GLN 22 6.330 -31.058 -17.410 168 HA GLN 22 HA GLN 22 8.562 -31.024 -19.192 169 HB2 GLN 22 HB2 GLN 22 8.497 -31.389 -16.612 170 HB3 GLN 22 HB3 GLN 22 8.203 -33.072 -17.030 171 HG2 GLN 22 HG2 GLN 22 10.293 -33.346 -17.965 172 HG3 GLN 22 HG3 GLN 22 10.508 -31.619 -18.245 173 HE21 GLN 22 HE21 GLN 22 12.288 -33.500 -16.937 174 HE22 GLN 22 HE22 GLN 22 12.543 -32.898 -15.338 175 H THR 23 H THR 23 8.885 -32.238 -20.927 176 HA THR 23 HA THR 23 7.299 -34.704 -21.228 177 HB THR 23 HB THR 23 7.673 -34.384 -23.706 178 HG1 THR 23 HG1 THR 23 8.521 -32.506 -24.417 179 HG21 THR 23 HG21 THR 23 6.054 -32.482 -22.045 180 HG22 THR 23 HG22 THR 23 5.514 -33.868 -22.993 181 HG23 THR 23 HG23 THR 23 6.029 -32.390 -23.805 182 H VAL 24 H VAL 24 8.375 -36.562 -21.311 183 HA VAL 24 HA VAL 24 11.154 -36.742 -20.989 184 HB VAL 24 HB VAL 24 10.888 -39.153 -21.456 185 HG11 VAL 24 HG11 VAL 24 9.989 -39.539 -19.423 186 HG12 VAL 24 HG12 VAL 24 10.022 -37.779 -19.305 187 HG13 VAL 24 HG13 VAL 24 8.534 -38.605 -19.770 188 HG21 VAL 24 HG21 VAL 24 9.310 -39.759 -22.908 189 HG22 VAL 24 HG22 VAL 24 8.140 -39.508 -21.612 190 HG23 VAL 24 HG23 VAL 24 8.478 -38.211 -22.758 191 H LYS 25 H LYS 25 12.534 -38.148 -22.506 192 HA LYS 25 HA LYS 25 12.206 -37.127 -25.250 193 HB2 LYS 25 HB2 LYS 25 14.705 -37.766 -23.680 194 HB3 LYS 25 HB3 LYS 25 14.706 -37.438 -25.408 195 HG2 LYS 25 HG2 LYS 25 14.029 -35.206 -25.088 196 HG3 LYS 25 HG3 LYS 25 13.592 -35.500 -23.404 197 HD2 LYS 25 HD2 LYS 25 16.080 -36.099 -23.092 198 HD3 LYS 25 HD3 LYS 25 16.319 -35.277 -24.636 199 HE2 LYS 25 HE2 LYS 25 16.708 -33.701 -22.875 200 HE3 LYS 25 HE3 LYS 25 15.192 -33.278 -23.670 201 HZ1 LYS 25 HZ1 LYS 25 14.669 -35.053 -21.550 202 HZ2 LYS 25 HZ2 LYS 25 14.147 -33.455 -21.743 203 HZ3 LYS 25 HZ3 LYS 25 15.616 -33.777 -20.968 Start of MODEL 2 1 H1 ALA 1 H ALA 1 2.944 3.034 -1.287 2 HA ALA 1 HA ALA 1 1.965 4.081 -3.823 3 HB1 ALA 1 HB1 ALA 1 4.530 3.438 -2.744 4 HB2 ALA 1 HB2 ALA 1 4.279 2.526 -4.233 5 HB3 ALA 1 HB3 ALA 1 4.133 4.284 -4.240 6 H MET 2 H MET 2 2.253 2.531 -5.754 7 HA MET 2 HA MET 2 1.006 -0.043 -5.047 8 HB2 MET 2 HB2 MET 2 0.122 0.069 -7.445 9 HB3 MET 2 HB3 MET 2 -0.596 1.166 -6.273 10 HG2 MET 2 HG2 MET 2 0.656 3.008 -7.121 11 HG3 MET 2 HG3 MET 2 1.614 1.949 -8.153 12 HE1 MET 2 HE1 MET 2 -0.209 4.567 -8.327 13 HE2 MET 2 HE2 MET 2 -1.207 4.498 -9.779 14 HE3 MET 2 HE3 MET 2 -1.905 4.099 -8.209 15 H VAL 3 H VAL 3 2.343 -1.702 -5.271 16 HA VAL 3 HA VAL 3 4.617 -1.517 -7.085 17 HB VAL 3 HB VAL 3 5.438 -3.537 -6.028 18 HG11 VAL 3 HG11 VAL 3 5.508 -2.722 -3.635 19 HG12 VAL 3 HG12 VAL 3 6.026 -1.564 -4.862 20 HG13 VAL 3 HG13 VAL 3 4.423 -1.427 -4.139 21 HG21 VAL 3 HG21 VAL 3 2.659 -3.680 -5.009 22 HG22 VAL 3 HG22 VAL 3 3.744 -4.970 -5.529 23 HG23 VAL 3 HG23 VAL 3 3.943 -4.239 -3.936 24 H SER 4 H SER 4 5.074 -3.073 -8.683 25 HA SER 4 HA SER 4 2.787 -4.731 -9.513 26 HB2 SER 4 HB2 SER 4 3.759 -4.206 -11.910 27 HB3 SER 4 HB3 SER 4 2.649 -3.081 -11.127 28 HG SER 4 HG SER 4 4.853 -2.372 -12.069 29 H GLU 5 H GLU 5 4.605 -5.921 -8.000 30 HA GLU 5 HA GLU 5 6.870 -6.947 -9.360 31 HB2 GLU 5 HB2 GLU 5 7.030 -8.532 -7.509 32 HB3 GLU 5 HB3 GLU 5 6.715 -6.908 -6.914 33 HG2 GLU 5 HG2 GLU 5 4.213 -7.722 -7.019 34 HG3 GLU 5 HG3 GLU 5 4.970 -9.309 -6.896 35 H PHE 6 H PHE 6 3.546 -8.020 -9.034 36 HA PHE 6 HA PHE 6 4.068 -10.554 -10.332 37 HB2 PHE 6 HB2 PHE 6 1.687 -10.968 -10.062 38 HB3 PHE 6 HB3 PHE 6 2.355 -10.355 -8.553 39 HD1 PHE 6 HD1 PHE 6 1.732 -8.195 -7.702 40 HD2 PHE 6 HD2 PHE 6 0.191 -9.609 -11.409 41 HE1 PHE 6 HE1 PHE 6 0.029 -6.419 -7.668 42 HE2 PHE 6 HE2 PHE 6 -1.513 -7.835 -11.381 43 HZ PHE 6 HZ PHE 6 -1.596 -6.236 -9.510 44 H LEU 7 H LEU 7 2.845 -7.390 -11.167 45 HA LEU 7 HA LEU 7 1.863 -8.198 -13.750 46 HB2 LEU 7 HB2 LEU 7 0.970 -6.284 -12.372 47 HB3 LEU 7 HB3 LEU 7 2.435 -5.401 -12.795 48 HG LEU 7 HG LEU 7 0.309 -4.909 -14.127 49 HD11 LEU 7 HD11 LEU 7 3.046 -5.003 -14.845 50 HD12 LEU 7 HD12 LEU 7 1.783 -3.941 -15.465 51 HD13 LEU 7 HD13 LEU 7 2.101 -5.485 -16.254 52 HD21 LEU 7 HD21 LEU 7 1.075 -7.313 -15.732 53 HD22 LEU 7 HD22 LEU 7 -0.423 -6.383 -15.753 54 HD23 LEU 7 HD23 LEU 7 -0.072 -7.461 -14.401 55 H LYS 8 H LYS 8 4.848 -7.063 -12.420 56 HA LYS 8 HA LYS 8 6.004 -6.142 -14.859 57 HB2 LYS 8 HB2 LYS 8 6.993 -6.731 -12.109 58 HB3 LYS 8 HB3 LYS 8 8.176 -6.635 -13.407 59 HG2 LYS 8 HG2 LYS 8 6.172 -4.463 -12.866 60 HG3 LYS 8 HG3 LYS 8 7.767 -4.515 -12.112 61 HD2 LYS 8 HD2 LYS 8 7.600 -4.784 -15.070 62 HD3 LYS 8 HD3 LYS 8 7.333 -3.189 -14.362 63 HE2 LYS 8 HE2 LYS 8 9.596 -3.107 -14.640 64 HE3 LYS 8 HE3 LYS 8 9.527 -3.811 -13.025 65 HZ1 LYS 8 HZ1 LYS 8 9.431 -5.763 -15.133 66 HZ2 LYS 8 HZ2 LYS 8 10.401 -5.715 -13.748 67 HZ3 LYS 8 HZ3 LYS 8 10.860 -4.857 -15.132 68 H GLN 9 H GLN 9 5.107 -9.167 -13.933 69 HA GLN 9 HA GLN 9 7.043 -10.392 -15.769 70 HB2 GLN 9 HB2 GLN 9 7.437 -12.239 -14.360 71 HB3 GLN 9 HB3 GLN 9 7.570 -10.833 -13.312 72 HG2 GLN 9 HG2 GLN 9 5.002 -11.352 -12.921 73 HG3 GLN 9 HG3 GLN 9 5.525 -12.973 -13.373 74 HE21 GLN 9 HE21 GLN 9 5.214 -13.844 -11.355 75 HE22 GLN 9 HE22 GLN 9 6.205 -13.449 -9.997 76 H ALA 10 H ALA 10 3.865 -10.376 -14.318 77 HA ALA 10 HA ALA 10 2.669 -12.624 -15.286 78 HB1 ALA 10 HB1 ALA 10 1.265 -11.324 -14.010 79 HB2 ALA 10 HB2 ALA 10 1.669 -9.843 -14.879 80 HB3 ALA 10 HB3 ALA 10 0.615 -11.043 -15.626 81 H TRP 11 H TRP 11 3.522 -9.730 -17.095 82 HA TRP 11 HA TRP 11 2.375 -10.868 -19.534 83 HB2 TRP 11 HB2 TRP 11 3.548 -8.139 -18.960 84 HB3 TRP 11 HB3 TRP 11 2.929 -8.644 -20.530 85 HD1 TRP 11 HD1 TRP 11 1.843 -6.539 -17.933 86 HE1 TRP 11 HE1 TRP 11 -0.716 -6.492 -17.659 87 HE3 TRP 11 HE3 TRP 11 0.670 -10.782 -20.533 88 HZ2 TRP 11 HZ2 TRP 11 -2.938 -8.049 -18.441 89 HZ3 TRP 11 HZ3 TRP 11 -1.695 -11.433 -20.723 90 HH2 TRP 11 HH2 TRP 11 -3.460 -10.094 -19.697 91 H PHE 12 H PHE 12 5.409 -10.252 -17.979 92 HA PHE 12 HA PHE 12 6.832 -11.119 -20.408 93 HB2 PHE 12 HB2 PHE 12 8.330 -9.894 -18.149 94 HB3 PHE 12 HB3 PHE 12 8.596 -9.754 -19.884 95 HD1 PHE 12 HD1 PHE 12 6.400 -8.626 -17.123 96 HD2 PHE 12 HD2 PHE 12 7.814 -7.901 -21.071 97 HE1 PHE 12 HE1 PHE 12 5.305 -6.423 -17.106 98 HE2 PHE 12 HE2 PHE 12 6.722 -5.696 -21.061 99 HZ PHE 12 HZ PHE 12 5.467 -4.954 -19.076 100 H ILE 13 H ILE 13 7.234 -13.229 -20.320 101 HA ILE 13 HA ILE 13 8.383 -14.320 -17.844 102 HB ILE 13 HB ILE 13 7.064 -16.469 -19.018 103 HG12 ILE 13 HG12 ILE 13 5.232 -14.063 -18.907 104 HG13 ILE 13 HG13 ILE 13 5.744 -14.892 -20.373 105 HG21 ILE 13 HG21 ILE 13 6.293 -14.752 -16.664 106 HG22 ILE 13 HG22 ILE 13 5.648 -16.359 -16.993 107 HG23 ILE 13 HG23 ILE 13 7.365 -16.152 -16.647 108 HD11 ILE 13 HD11 ILE 13 3.778 -15.943 -20.123 109 HD12 ILE 13 HD12 ILE 13 4.694 -16.953 -19.004 110 HD13 ILE 13 HD13 ILE 13 3.706 -15.629 -18.390 111 H GLU 14 H GLU 14 10.163 -15.532 -18.121 112 HA GLU 14 HA GLU 14 11.310 -15.720 -20.748 113 HB2 GLU 14 HB2 GLU 14 12.348 -16.921 -18.178 114 HB3 GLU 14 HB3 GLU 14 13.264 -16.599 -19.644 115 HG2 GLU 14 HG2 GLU 14 12.019 -14.526 -17.852 116 HG3 GLU 14 HG3 GLU 14 13.729 -14.950 -17.919 117 H ASN 15 H ASN 15 12.023 -17.669 -21.765 118 HA ASN 15 HA ASN 15 10.092 -19.644 -22.005 119 HB2 ASN 15 HB2 ASN 15 13.046 -19.920 -22.601 120 HB3 ASN 15 HB3 ASN 15 11.756 -20.919 -23.263 121 HD21 ASN 15 HD21 ASN 15 10.560 -20.181 -24.948 122 HD22 ASN 15 HD22 ASN 15 10.881 -18.698 -25.775 123 H GLU 16 H GLU 16 12.915 -19.501 -19.913 124 HA GLU 16 HA GLU 16 12.967 -22.155 -19.045 125 HB2 GLU 16 HB2 GLU 16 14.665 -20.294 -18.604 126 HB3 GLU 16 HB3 GLU 16 13.617 -19.800 -17.283 127 HG2 GLU 16 HG2 GLU 16 13.834 -22.304 -16.569 128 HG3 GLU 16 HG3 GLU 16 15.288 -22.246 -17.563 129 H GLU 17 H GLU 17 11.029 -19.418 -17.981 130 HA GLU 17 HA GLU 17 9.629 -21.194 -16.095 131 HB2 GLU 17 HB2 GLU 17 10.773 -18.972 -15.342 132 HB3 GLU 17 HB3 GLU 17 9.363 -18.207 -16.063 133 HG2 GLU 17 HG2 GLU 17 7.954 -19.693 -14.597 134 HG3 GLU 17 HG3 GLU 17 9.442 -20.137 -13.764 135 H GLN 18 H GLN 18 9.114 -21.218 -18.906 136 HA GLN 18 HA GLN 18 6.547 -19.836 -19.165 137 HB2 GLN 18 HB2 GLN 18 8.628 -20.645 -21.000 138 HB3 GLN 18 HB3 GLN 18 7.066 -21.267 -21.519 139 HG2 GLN 18 HG2 GLN 18 6.168 -18.942 -21.292 140 HG3 GLN 18 HG3 GLN 18 7.824 -18.401 -21.023 141 HE21 GLN 18 HE21 GLN 18 6.959 -17.141 -22.994 142 HE22 GLN 18 HE22 GLN 18 7.362 -17.813 -24.533 143 H GLU 19 H GLU 19 4.781 -21.099 -20.282 144 HA GLU 19 HA GLU 19 4.301 -23.502 -18.771 145 HB2 GLU 19 HB2 GLU 19 2.564 -21.734 -19.303 146 HB3 GLU 19 HB3 GLU 19 2.568 -22.343 -20.952 147 HG2 GLU 19 HG2 GLU 19 1.735 -24.454 -20.268 148 HG3 GLU 19 HG3 GLU 19 1.987 -24.073 -18.566 149 H TYR 20 H TYR 20 4.903 -25.459 -19.389 150 HA TYR 20 HA TYR 20 4.601 -26.314 -22.131 151 HB2 TYR 20 HB2 TYR 20 7.252 -25.726 -20.940 152 HB3 TYR 20 HB3 TYR 20 7.119 -27.228 -21.848 153 HD1 TYR 20 HD1 TYR 20 6.065 -27.028 -24.228 154 HD2 TYR 20 HD2 TYR 20 7.706 -23.750 -22.068 155 HE1 TYR 20 HE1 TYR 20 6.337 -25.785 -26.333 156 HE2 TYR 20 HE2 TYR 20 7.981 -22.497 -24.167 157 HH TYR 20 HH TYR 20 7.139 -22.439 -26.400 158 H VAL 21 H VAL 21 4.205 -28.459 -22.277 159 HA VAL 21 HA VAL 21 3.914 -29.929 -19.805 160 HB VAL 21 HB VAL 21 2.862 -31.661 -21.159 161 HG11 VAL 21 HG11 VAL 21 1.520 -29.742 -20.443 162 HG12 VAL 21 HG12 VAL 21 1.921 -28.904 -21.943 163 HG13 VAL 21 HG13 VAL 21 0.961 -30.383 -21.987 164 HG21 VAL 21 HG21 VAL 21 3.892 -31.866 -23.179 165 HG22 VAL 21 HG22 VAL 21 2.526 -30.868 -23.674 166 HG23 VAL 21 HG23 VAL 21 4.098 -30.126 -23.377 167 H GLN 22 H GLN 22 4.899 -31.904 -19.308 168 HA GLN 22 HA GLN 22 7.622 -32.124 -19.977 169 HB2 GLN 22 HB2 GLN 22 6.282 -33.024 -17.920 170 HB3 GLN 22 HB3 GLN 22 6.063 -34.454 -18.920 171 HG2 GLN 22 HG2 GLN 22 8.648 -34.312 -19.198 172 HG3 GLN 22 HG3 GLN 22 8.556 -33.336 -17.733 173 HE21 GLN 22 HE21 GLN 22 9.425 -34.692 -16.279 174 HE22 GLN 22 HE22 GLN 22 8.791 -36.250 -15.887 175 H THR 23 H THR 23 8.412 -32.714 -21.879 176 HA THR 23 HA THR 23 7.008 -34.813 -23.399 177 HB THR 23 HB THR 23 6.974 -32.766 -24.655 178 HG1 THR 23 HG1 THR 23 9.132 -34.144 -25.839 179 HG21 THR 23 HG21 THR 23 9.673 -32.234 -25.244 180 HG22 THR 23 HG22 THR 23 9.571 -32.390 -23.491 181 HG23 THR 23 HG23 THR 23 8.550 -31.225 -24.334 182 H VAL 24 H VAL 24 8.243 -36.409 -24.450 183 HA VAL 24 HA VAL 24 10.383 -37.463 -23.022 184 HB VAL 24 HB VAL 24 8.954 -38.748 -24.603 185 HG11 VAL 24 HG11 VAL 24 10.673 -37.449 -26.715 186 HG12 VAL 24 HG12 VAL 24 9.497 -38.738 -26.983 187 HG13 VAL 24 HG13 VAL 24 8.956 -37.146 -26.450 188 HG21 VAL 24 HG21 VAL 24 10.561 -40.345 -24.994 189 HG22 VAL 24 HG22 VAL 24 11.776 -39.162 -25.478 190 HG23 VAL 24 HG23 VAL 24 11.364 -39.357 -23.774 191 H LYS 25 H LYS 25 12.610 -37.642 -23.481 192 HA LYS 25 HA LYS 25 13.697 -35.683 -25.381 193 HB2 LYS 25 HB2 LYS 25 14.813 -36.094 -22.606 194 HB3 LYS 25 HB3 LYS 25 15.310 -34.891 -23.789 195 HG2 LYS 25 HG2 LYS 25 13.098 -33.827 -23.600 196 HG3 LYS 25 HG3 LYS 25 12.662 -35.003 -22.358 197 HD2 LYS 25 HD2 LYS 25 14.429 -34.197 -20.919 198 HD3 LYS 25 HD3 LYS 25 14.997 -33.099 -22.179 199 HE2 LYS 25 HE2 LYS 25 12.217 -32.970 -21.038 200 HE3 LYS 25 HE3 LYS 25 13.572 -32.083 -20.342 201 HZ1 LYS 25 HZ1 LYS 25 13.805 -31.359 -22.872 202 HZ2 LYS 25 HZ2 LYS 25 12.843 -30.514 -21.768 203 HZ3 LYS 25 HZ3 LYS 25 12.134 -31.622 -22.831 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.860 4.250 -0.472 2 HA ALA 1 HA ALA 1 0.109 4.815 -2.930 3 HB1 ALA 1 HB1 ALA 1 2.293 5.029 -3.249 4 HB2 ALA 1 HB2 ALA 1 2.584 4.105 -1.774 5 HB3 ALA 1 HB3 ALA 1 2.478 3.277 -3.328 6 H MET 2 H MET 2 0.740 3.507 -5.042 7 HA MET 2 HA MET 2 -0.687 0.935 -4.875 8 HB2 MET 2 HB2 MET 2 -0.466 2.673 -7.330 9 HB3 MET 2 HB3 MET 2 -1.545 1.308 -7.069 10 HG2 MET 2 HG2 MET 2 -2.438 2.792 -5.104 11 HG3 MET 2 HG3 MET 2 -1.732 4.097 -6.055 12 HE1 MET 2 HE1 MET 2 -5.230 1.459 -6.636 13 HE2 MET 2 HE2 MET 2 -4.100 0.898 -7.869 14 HE3 MET 2 HE3 MET 2 -3.607 0.944 -6.175 15 H VAL 3 H VAL 3 0.650 -0.733 -5.054 16 HA VAL 3 HA VAL 3 3.166 -0.449 -6.499 17 HB VAL 3 HB VAL 3 3.780 -2.597 -5.549 18 HG11 VAL 3 HG11 VAL 3 4.053 -0.542 -4.198 19 HG12 VAL 3 HG12 VAL 3 2.494 -0.869 -3.438 20 HG13 VAL 3 HG13 VAL 3 3.837 -1.991 -3.216 21 HG21 VAL 3 HG21 VAL 3 1.979 -3.987 -5.437 22 HG22 VAL 3 HG22 VAL 3 2.009 -3.444 -3.760 23 HG23 VAL 3 HG23 VAL 3 0.885 -2.711 -4.904 24 H SER 4 H SER 4 3.776 -1.727 -8.237 25 HA SER 4 HA SER 4 1.600 -3.235 -9.534 26 HB2 SER 4 HB2 SER 4 2.969 -2.549 -11.684 27 HB3 SER 4 HB3 SER 4 1.800 -1.436 -10.974 28 HG SER 4 HG SER 4 3.748 -0.365 -11.361 29 H GLU 5 H GLU 5 3.092 -4.672 -7.888 30 HA GLU 5 HA GLU 5 5.497 -5.705 -8.976 31 HB2 GLU 5 HB2 GLU 5 5.275 -7.470 -7.297 32 HB3 GLU 5 HB3 GLU 5 4.960 -5.889 -6.594 33 HG2 GLU 5 HG2 GLU 5 2.497 -6.388 -6.963 34 HG3 GLU 5 HG3 GLU 5 2.995 -8.050 -7.270 35 H PHE 6 H PHE 6 2.117 -6.595 -9.283 36 HA PHE 6 HA PHE 6 2.722 -9.024 -10.736 37 HB2 PHE 6 HB2 PHE 6 0.323 -9.329 -10.869 38 HB3 PHE 6 HB3 PHE 6 0.752 -8.859 -9.227 39 HD1 PHE 6 HD1 PHE 6 -0.937 -7.860 -12.301 40 HD2 PHE 6 HD2 PHE 6 0.142 -6.679 -8.357 41 HE1 PHE 6 HE1 PHE 6 -2.553 -6.009 -12.417 42 HE2 PHE 6 HE2 PHE 6 -1.472 -4.826 -8.466 43 HZ PHE 6 HZ PHE 6 -2.823 -4.489 -10.498 44 H LEU 7 H LEU 7 1.801 -5.726 -11.424 45 HA LEU 7 HA LEU 7 1.214 -6.226 -14.198 46 HB2 LEU 7 HB2 LEU 7 0.200 -4.397 -12.789 47 HB3 LEU 7 HB3 LEU 7 1.754 -3.572 -12.885 48 HG LEU 7 HG LEU 7 -0.103 -2.825 -14.477 49 HD11 LEU 7 HD11 LEU 7 1.612 -1.831 -15.463 50 HD12 LEU 7 HD12 LEU 7 1.984 -3.314 -16.343 51 HD13 LEU 7 HD13 LEU 7 2.707 -3.022 -14.761 52 HD21 LEU 7 HD21 LEU 7 0.800 -5.112 -16.179 53 HD22 LEU 7 HD22 LEU 7 -0.630 -4.093 -16.338 54 HD23 LEU 7 HD23 LEU 7 -0.553 -5.312 -15.066 55 H LYS 8 H LYS 8 3.994 -5.407 -12.308 56 HA LYS 8 HA LYS 8 5.572 -4.337 -14.429 57 HB2 LYS 8 HB2 LYS 8 6.073 -5.240 -11.632 58 HB3 LYS 8 HB3 LYS 8 7.454 -5.097 -12.712 59 HG2 LYS 8 HG2 LYS 8 7.035 -2.778 -13.064 60 HG3 LYS 8 HG3 LYS 8 5.488 -2.874 -12.219 61 HD2 LYS 8 HD2 LYS 8 7.011 -1.912 -10.687 62 HD3 LYS 8 HD3 LYS 8 6.801 -3.588 -10.175 63 HE2 LYS 8 HE2 LYS 8 9.016 -2.921 -12.053 64 HE3 LYS 8 HE3 LYS 8 9.193 -2.503 -10.350 65 HZ1 LYS 8 HZ1 LYS 8 9.501 -5.014 -11.583 66 HZ2 LYS 8 HZ2 LYS 8 8.238 -5.111 -10.462 67 HZ3 LYS 8 HZ3 LYS 8 9.770 -4.591 -9.968 68 H GLN 9 H GLN 9 4.396 -7.374 -13.968 69 HA GLN 9 HA GLN 9 6.546 -8.541 -15.592 70 HB2 GLN 9 HB2 GLN 9 6.620 -10.531 -14.335 71 HB3 GLN 9 HB3 GLN 9 6.645 -9.240 -13.141 72 HG2 GLN 9 HG2 GLN 9 4.027 -9.632 -13.213 73 HG3 GLN 9 HG3 GLN 9 4.540 -11.234 -13.740 74 HE21 GLN 9 HE21 GLN 9 3.883 -12.281 -11.903 75 HE22 GLN 9 HE22 GLN 9 4.652 -12.072 -10.370 76 H ALA 10 H ALA 10 3.178 -8.462 -14.664 77 HA ALA 10 HA ALA 10 2.052 -10.531 -16.032 78 HB1 ALA 10 HB1 ALA 10 0.542 -9.249 -14.847 79 HB2 ALA 10 HB2 ALA 10 1.123 -7.734 -15.540 80 HB3 ALA 10 HB3 ALA 10 0.145 -8.832 -16.514 81 H TRP 11 H TRP 11 3.321 -7.540 -17.380 82 HA TRP 11 HA TRP 11 2.534 -8.371 -20.072 83 HB2 TRP 11 HB2 TRP 11 3.723 -5.787 -19.046 84 HB3 TRP 11 HB3 TRP 11 3.345 -6.104 -20.737 85 HD1 TRP 11 HD1 TRP 11 1.951 -4.185 -18.142 86 HE1 TRP 11 HE1 TRP 11 -0.614 -4.006 -18.268 87 HE3 TRP 11 HE3 TRP 11 1.020 -8.087 -21.312 88 HZ2 TRP 11 HZ2 TRP 11 -2.749 -5.341 -19.543 89 HZ3 TRP 11 HZ3 TRP 11 -1.311 -8.569 -21.935 90 HH2 TRP 11 HH2 TRP 11 -3.155 -7.224 -21.067 91 H PHE 12 H PHE 12 5.301 -8.094 -18.006 92 HA PHE 12 HA PHE 12 7.057 -8.817 -20.257 93 HB2 PHE 12 HB2 PHE 12 8.223 -7.904 -17.678 94 HB3 PHE 12 HB3 PHE 12 8.775 -7.619 -19.326 95 HD1 PHE 12 HD1 PHE 12 6.214 -6.620 -16.843 96 HD2 PHE 12 HD2 PHE 12 8.282 -5.618 -20.426 97 HE1 PHE 12 HE1 PHE 12 5.234 -4.363 -16.774 98 HE2 PHE 12 HE2 PHE 12 7.307 -3.360 -20.362 99 HZ PHE 12 HZ PHE 12 5.782 -2.730 -18.534 100 H ILE 13 H ILE 13 7.341 -10.947 -20.323 101 HA ILE 13 HA ILE 13 8.021 -12.334 -17.822 102 HB ILE 13 HB ILE 13 6.811 -14.278 -19.400 103 HG12 ILE 13 HG12 ILE 13 5.100 -11.783 -19.334 104 HG13 ILE 13 HG13 ILE 13 5.803 -12.503 -20.778 105 HG21 ILE 13 HG21 ILE 13 5.092 -14.269 -17.622 106 HG22 ILE 13 HG22 ILE 13 6.737 -14.203 -16.993 107 HG23 ILE 13 HG23 ILE 13 5.750 -12.742 -17.033 108 HD11 ILE 13 HD11 ILE 13 3.826 -13.513 -20.974 109 HD12 ILE 13 HD12 ILE 13 4.432 -14.602 -19.725 110 HD13 ILE 13 HD13 ILE 13 3.407 -13.237 -19.283 111 H GLU 14 H GLU 14 9.850 -13.464 -17.939 112 HA GLU 14 HA GLU 14 11.231 -13.654 -20.477 113 HB2 GLU 14 HB2 GLU 14 12.323 -12.996 -18.279 114 HB3 GLU 14 HB3 GLU 14 12.181 -14.684 -17.806 115 HG2 GLU 14 HG2 GLU 14 14.370 -14.407 -18.616 116 HG3 GLU 14 HG3 GLU 14 13.484 -15.259 -19.880 117 H ASN 15 H ASN 15 11.990 -15.578 -21.415 118 HA ASN 15 HA ASN 15 10.345 -17.919 -20.770 119 HB2 ASN 15 HB2 ASN 15 11.013 -18.719 -23.037 120 HB3 ASN 15 HB3 ASN 15 10.147 -17.185 -23.064 121 HD21 ASN 15 HD21 ASN 15 10.960 -16.429 -24.954 122 HD22 ASN 15 HD22 ASN 15 12.622 -16.018 -25.189 123 H GLU 16 H GLU 16 12.547 -17.336 -19.098 124 HA GLU 16 HA GLU 16 14.633 -19.223 -19.884 125 HB2 GLU 16 HB2 GLU 16 15.462 -17.157 -19.006 126 HB3 GLU 16 HB3 GLU 16 14.407 -17.261 -17.604 127 HG2 GLU 16 HG2 GLU 16 16.786 -17.790 -17.139 128 HG3 GLU 16 HG3 GLU 16 15.658 -19.071 -16.697 129 H GLU 17 H GLU 17 12.161 -18.756 -17.413 130 HA GLU 17 HA GLU 17 12.784 -21.398 -16.296 131 HB2 GLU 17 HB2 GLU 17 11.289 -19.016 -15.241 132 HB3 GLU 17 HB3 GLU 17 11.064 -20.607 -14.527 133 HG2 GLU 17 HG2 GLU 17 13.749 -19.290 -14.820 134 HG3 GLU 17 HG3 GLU 17 12.736 -19.135 -13.386 135 H GLN 18 H GLN 18 11.503 -21.179 -18.842 136 HA GLN 18 HA GLN 18 8.688 -21.602 -18.526 137 HB2 GLN 18 HB2 GLN 18 10.443 -21.104 -20.667 138 HB3 GLN 18 HB3 GLN 18 9.723 -22.675 -20.992 139 HG2 GLN 18 HG2 GLN 18 8.239 -20.110 -20.468 140 HG3 GLN 18 HG3 GLN 18 8.437 -20.907 -22.027 141 HE21 GLN 18 HE21 GLN 18 6.824 -20.960 -18.960 142 HE22 GLN 18 HE22 GLN 18 5.644 -22.154 -19.367 143 H GLU 19 H GLU 19 7.724 -23.404 -17.884 144 HA GLU 19 HA GLU 19 9.211 -25.816 -17.464 145 HB2 GLU 19 HB2 GLU 19 6.279 -25.167 -17.151 146 HB3 GLU 19 HB3 GLU 19 6.982 -26.723 -16.733 147 HG2 GLU 19 HG2 GLU 19 7.992 -24.163 -15.546 148 HG3 GLU 19 HG3 GLU 19 6.626 -25.039 -14.858 149 H TYR 20 H TYR 20 9.334 -27.586 -18.705 150 HA TYR 20 HA TYR 20 7.398 -28.033 -20.832 151 HB2 TYR 20 HB2 TYR 20 10.266 -27.326 -21.278 152 HB3 TYR 20 HB3 TYR 20 9.515 -28.504 -22.348 153 HD1 TYR 20 HD1 TYR 20 7.027 -27.677 -23.123 154 HD2 TYR 20 HD2 TYR 20 10.294 -25.166 -22.063 155 HE1 TYR 20 HE1 TYR 20 6.049 -25.853 -24.452 156 HE2 TYR 20 HE2 TYR 20 9.324 -23.335 -23.388 157 HH TYR 20 HH TYR 20 7.425 -23.500 -25.639 158 H VAL 21 H VAL 21 7.006 -30.144 -21.152 159 HA VAL 21 HA VAL 21 8.364 -32.059 -19.469 160 HB VAL 21 HB VAL 21 6.728 -33.684 -20.373 161 HG11 VAL 21 HG11 VAL 21 4.674 -32.483 -19.488 162 HG12 VAL 21 HG12 VAL 21 6.063 -32.574 -18.402 163 HG13 VAL 21 HG13 VAL 21 5.716 -31.077 -19.268 164 HG21 VAL 21 HG21 VAL 21 6.568 -32.559 -22.619 165 HG22 VAL 21 HG22 VAL 21 5.030 -33.051 -21.911 166 HG23 VAL 21 HG23 VAL 21 5.523 -31.359 -21.859 167 H GLN 22 H GLN 22 9.486 -33.890 -20.160 168 HA GLN 22 HA GLN 22 10.748 -33.590 -22.779 169 HB2 GLN 22 HB2 GLN 22 12.025 -33.906 -20.557 170 HB3 GLN 22 HB3 GLN 22 11.542 -35.593 -20.681 171 HG2 GLN 22 HG2 GLN 22 12.717 -35.842 -22.751 172 HG3 GLN 22 HG3 GLN 22 13.068 -34.115 -22.810 173 HE21 GLN 22 HE21 GLN 22 13.819 -37.147 -21.276 174 HE22 GLN 22 HE22 GLN 22 15.295 -36.638 -20.537 175 H THR 23 H THR 23 10.096 -34.766 -24.443 176 HA THR 23 HA THR 23 8.392 -37.089 -23.986 177 HB THR 23 HB THR 23 7.862 -36.989 -26.349 178 HG1 THR 23 HG1 THR 23 9.859 -34.955 -26.438 179 HG21 THR 23 HG21 THR 23 6.643 -34.987 -26.370 180 HG22 THR 23 HG22 THR 23 7.862 -34.130 -25.426 181 HG23 THR 23 HG23 THR 23 6.844 -35.346 -24.655 182 H VAL 24 H VAL 24 9.094 -39.114 -24.147 183 HA VAL 24 HA VAL 24 11.654 -39.602 -25.529 184 HB VAL 24 HB VAL 24 11.931 -39.930 -23.143 185 HG11 VAL 24 HG11 VAL 24 9.736 -41.990 -23.303 186 HG12 VAL 24 HG12 VAL 24 10.632 -41.495 -21.866 187 HG13 VAL 24 HG13 VAL 24 9.532 -40.363 -22.654 188 HG21 VAL 24 HG21 VAL 24 12.762 -41.623 -25.016 189 HG22 VAL 24 HG22 VAL 24 13.097 -41.880 -23.303 190 HG23 VAL 24 HG23 VAL 24 11.768 -42.740 -24.080 191 H LYS 25 H LYS 25 8.424 -40.807 -24.828 192 HA LYS 25 HA LYS 25 8.684 -43.195 -26.374 193 HB2 LYS 25 HB2 LYS 25 7.023 -42.763 -24.491 194 HB3 LYS 25 HB3 LYS 25 6.103 -41.812 -25.650 195 HG2 LYS 25 HG2 LYS 25 5.792 -43.748 -27.055 196 HG3 LYS 25 HG3 LYS 25 6.817 -44.717 -25.995 197 HD2 LYS 25 HD2 LYS 25 5.224 -44.834 -24.338 198 HD3 LYS 25 HD3 LYS 25 4.438 -43.336 -24.842 199 HE2 LYS 25 HE2 LYS 25 4.396 -45.832 -26.518 200 HE3 LYS 25 HE3 LYS 25 3.180 -45.498 -25.286 201 HZ1 LYS 25 HZ1 LYS 25 2.110 -44.318 -26.805 202 HZ2 LYS 25 HZ2 LYS 25 3.372 -44.479 -27.920 203 HZ3 LYS 25 HZ3 LYS 25 3.383 -43.203 -26.809 Start of MODEL 4 1 H1 ALA 1 H ALA 1 1.167 6.626 -4.317 2 HA ALA 1 HA ALA 1 -0.109 6.985 -6.901 3 HB1 ALA 1 HB1 ALA 1 1.968 7.311 -7.603 4 HB2 ALA 1 HB2 ALA 1 2.550 7.016 -5.965 5 HB3 ALA 1 HB3 ALA 1 2.421 5.680 -7.108 6 H MET 2 H MET 2 0.394 5.124 -8.533 7 HA MET 2 HA MET 2 -0.520 2.615 -7.289 8 HB2 MET 2 HB2 MET 2 -0.924 3.410 -10.170 9 HB3 MET 2 HB3 MET 2 -1.711 2.106 -9.290 10 HG2 MET 2 HG2 MET 2 -2.545 4.104 -7.782 11 HG3 MET 2 HG3 MET 2 -2.256 5.020 -9.259 12 HE1 MET 2 HE1 MET 2 -3.974 4.942 -11.390 13 HE2 MET 2 HE2 MET 2 -2.872 3.578 -11.581 14 HE3 MET 2 HE3 MET 2 -4.605 3.353 -11.827 15 H VAL 3 H VAL 3 1.053 1.163 -7.156 16 HA VAL 3 HA VAL 3 3.279 1.225 -9.032 17 HB VAL 3 HB VAL 3 4.337 -0.420 -7.583 18 HG11 VAL 3 HG11 VAL 3 5.022 1.370 -6.461 19 HG12 VAL 3 HG12 VAL 3 3.490 2.197 -6.754 20 HG13 VAL 3 HG13 VAL 3 3.669 1.140 -5.353 21 HG21 VAL 3 HG21 VAL 3 2.410 -1.731 -6.948 22 HG22 VAL 3 HG22 VAL 3 3.221 -1.142 -5.496 23 HG23 VAL 3 HG23 VAL 3 1.737 -0.368 -6.053 24 H SER 4 H SER 4 3.914 -0.533 -10.307 25 HA SER 4 HA SER 4 1.788 -2.513 -10.802 26 HB2 SER 4 HB2 SER 4 3.022 -2.592 -13.135 27 HB3 SER 4 HB3 SER 4 1.836 -1.333 -12.792 28 HG SER 4 HG SER 4 4.265 -0.946 -13.555 29 H GLU 5 H GLU 5 3.423 -3.232 -8.848 30 HA GLU 5 HA GLU 5 5.822 -4.514 -9.647 31 HB2 GLU 5 HB2 GLU 5 5.777 -5.562 -7.446 32 HB3 GLU 5 HB3 GLU 5 5.386 -3.853 -7.323 33 HG2 GLU 5 HG2 GLU 5 2.964 -4.516 -7.297 34 HG3 GLU 5 HG3 GLU 5 3.504 -6.187 -7.142 35 H PHE 6 H PHE 6 2.478 -5.551 -9.418 36 HA PHE 6 HA PHE 6 3.131 -8.318 -9.958 37 HB2 PHE 6 HB2 PHE 6 0.748 -8.721 -9.827 38 HB3 PHE 6 HB3 PHE 6 1.227 -7.684 -8.487 39 HD1 PHE 6 HD1 PHE 6 0.441 -5.433 -8.317 40 HD2 PHE 6 HD2 PHE 6 -0.539 -7.822 -11.701 41 HE1 PHE 6 HE1 PHE 6 -1.268 -3.791 -8.978 42 HE2 PHE 6 HE2 PHE 6 -2.248 -6.183 -12.368 43 HZ PHE 6 HZ PHE 6 -2.614 -4.164 -11.006 44 H LEU 7 H LEU 7 2.021 -5.504 -11.704 45 HA LEU 7 HA LEU 7 1.329 -6.969 -14.085 46 HB2 LEU 7 HB2 LEU 7 0.295 -4.790 -13.349 47 HB3 LEU 7 HB3 LEU 7 1.801 -4.008 -13.822 48 HG LEU 7 HG LEU 7 -0.161 -3.925 -15.460 49 HD11 LEU 7 HD11 LEU 7 2.639 -4.130 -15.827 50 HD12 LEU 7 HD12 LEU 7 1.457 -3.294 -16.833 51 HD13 LEU 7 HD13 LEU 7 1.857 -4.981 -17.159 52 HD21 LEU 7 HD21 LEU 7 -0.713 -5.782 -16.721 53 HD22 LEU 7 HD22 LEU 7 -0.519 -6.471 -15.109 54 HD23 LEU 7 HD23 LEU 7 0.770 -6.639 -16.302 55 H LYS 8 H LYS 8 4.152 -5.456 -12.775 56 HA LYS 8 HA LYS 8 5.576 -5.160 -15.228 57 HB2 LYS 8 HB2 LYS 8 6.250 -5.002 -12.328 58 HB3 LYS 8 HB3 LYS 8 7.570 -5.211 -13.472 59 HG2 LYS 8 HG2 LYS 8 7.195 -3.156 -14.478 60 HG3 LYS 8 HG3 LYS 8 5.540 -3.052 -13.873 61 HD2 LYS 8 HD2 LYS 8 6.752 -1.525 -12.566 62 HD3 LYS 8 HD3 LYS 8 6.582 -2.954 -11.543 63 HE2 LYS 8 HE2 LYS 8 8.839 -2.152 -11.378 64 HE3 LYS 8 HE3 LYS 8 8.844 -3.675 -12.266 65 HZ1 LYS 8 HZ1 LYS 8 10.133 -1.536 -13.105 66 HZ2 LYS 8 HZ2 LYS 8 8.642 -1.230 -13.841 67 HZ3 LYS 8 HZ3 LYS 8 9.470 -2.667 -14.175 68 H GLN 9 H GLN 9 4.570 -7.870 -13.660 69 HA GLN 9 HA GLN 9 6.695 -9.474 -14.898 70 HB2 GLN 9 HB2 GLN 9 6.924 -10.888 -13.029 71 HB3 GLN 9 HB3 GLN 9 6.942 -9.259 -12.368 72 HG2 GLN 9 HG2 GLN 9 4.346 -9.727 -12.139 73 HG3 GLN 9 HG3 GLN 9 4.910 -11.396 -12.101 74 HE21 GLN 9 HE21 GLN 9 4.370 -11.730 -9.974 75 HE22 GLN 9 HE22 GLN 9 5.206 -10.979 -8.662 76 H ALA 10 H ALA 10 3.374 -9.168 -13.855 77 HA ALA 10 HA ALA 10 2.286 -11.618 -14.338 78 HB1 ALA 10 HB1 ALA 10 0.280 -10.253 -15.271 79 HB2 ALA 10 HB2 ALA 10 0.772 -10.044 -13.590 80 HB3 ALA 10 HB3 ALA 10 1.248 -8.855 -14.802 81 H TRP 11 H TRP 11 3.347 -9.261 -16.724 82 HA TRP 11 HA TRP 11 2.474 -11.013 -18.900 83 HB2 TRP 11 HB2 TRP 11 3.585 -8.199 -18.921 84 HB3 TRP 11 HB3 TRP 11 3.143 -9.104 -20.366 85 HD1 TRP 11 HD1 TRP 11 1.782 -6.433 -18.531 86 HE1 TRP 11 HE1 TRP 11 -0.792 -6.383 -18.556 87 HE3 TRP 11 HE3 TRP 11 0.892 -11.228 -20.066 88 HZ2 TRP 11 HZ2 TRP 11 -2.917 -8.143 -19.147 89 HZ3 TRP 11 HZ3 TRP 11 -1.440 -11.966 -20.336 90 HH2 TRP 11 HH2 TRP 11 -3.304 -10.454 -19.885 91 H PHE 12 H PHE 12 5.318 -9.945 -17.234 92 HA PHE 12 HA PHE 12 7.001 -11.365 -19.190 93 HB2 PHE 12 HB2 PHE 12 8.240 -9.568 -17.172 94 HB3 PHE 12 HB3 PHE 12 8.700 -9.867 -18.844 95 HD1 PHE 12 HD1 PHE 12 8.063 -8.398 -20.544 96 HD2 PHE 12 HD2 PHE 12 6.212 -8.129 -16.721 97 HE1 PHE 12 HE1 PHE 12 6.986 -6.292 -21.218 98 HE2 PHE 12 HE2 PHE 12 5.130 -6.023 -17.390 99 HZ PHE 12 HZ PHE 12 5.516 -5.102 -19.641 100 H ILE 13 H ILE 13 7.384 -13.372 -18.522 101 HA ILE 13 HA ILE 13 8.246 -13.767 -15.739 102 HB ILE 13 HB ILE 13 7.058 -16.177 -16.459 103 HG12 ILE 13 HG12 ILE 13 5.234 -13.869 -17.169 104 HG13 ILE 13 HG13 ILE 13 5.903 -15.032 -18.308 105 HG21 ILE 13 HG21 ILE 13 7.093 -15.260 -14.231 106 HG22 ILE 13 HG22 ILE 13 6.038 -13.935 -14.722 107 HG23 ILE 13 HG23 ILE 13 5.424 -15.588 -14.697 108 HD11 ILE 13 HD11 ILE 13 4.676 -16.642 -16.468 109 HD12 ILE 13 HD12 ILE 13 3.599 -15.247 -16.550 110 HD13 ILE 13 HD13 ILE 13 4.000 -16.140 -18.017 111 H GLU 14 H GLU 14 9.755 -15.426 -15.403 112 HA GLU 14 HA GLU 14 11.456 -15.944 -17.663 113 HB2 GLU 14 HB2 GLU 14 11.615 -16.706 -14.749 114 HB3 GLU 14 HB3 GLU 14 12.814 -17.214 -15.931 115 HG2 GLU 14 HG2 GLU 14 12.115 -14.353 -15.319 116 HG3 GLU 14 HG3 GLU 14 13.488 -15.226 -14.641 117 H ASN 15 H ASN 15 12.323 -18.176 -18.046 118 HA ASN 15 HA ASN 15 10.254 -20.233 -17.680 119 HB2 ASN 15 HB2 ASN 15 10.848 -21.033 -20.017 120 HB3 ASN 15 HB3 ASN 15 9.935 -19.530 -19.928 121 HD21 ASN 15 HD21 ASN 15 10.654 -17.918 -21.109 122 HD22 ASN 15 HD22 ASN 15 12.264 -17.734 -21.709 123 H GLU 16 H GLU 16 12.621 -19.847 -16.148 124 HA GLU 16 HA GLU 16 14.444 -21.937 -17.075 125 HB2 GLU 16 HB2 GLU 16 15.440 -19.843 -16.285 126 HB3 GLU 16 HB3 GLU 16 14.650 -20.043 -14.727 127 HG2 GLU 16 HG2 GLU 16 15.932 -22.244 -14.559 128 HG3 GLU 16 HG3 GLU 16 16.900 -21.634 -15.900 129 H GLU 17 H GLU 17 12.307 -21.159 -14.370 130 HA GLU 17 HA GLU 17 12.652 -23.906 -13.370 131 HB2 GLU 17 HB2 GLU 17 11.916 -21.329 -12.019 132 HB3 GLU 17 HB3 GLU 17 11.461 -22.868 -11.302 133 HG2 GLU 17 HG2 GLU 17 13.444 -22.557 -10.258 134 HG3 GLU 17 HG3 GLU 17 14.018 -23.399 -11.696 135 H GLN 18 H GLN 18 10.999 -23.305 -15.622 136 HA GLN 18 HA GLN 18 8.279 -23.551 -14.562 137 HB2 GLN 18 HB2 GLN 18 9.437 -22.402 -16.953 138 HB3 GLN 18 HB3 GLN 18 8.165 -23.546 -17.358 139 HG2 GLN 18 HG2 GLN 18 7.378 -21.215 -17.123 140 HG3 GLN 18 HG3 GLN 18 6.574 -22.350 -16.040 141 HE21 GLN 18 HE21 GLN 18 9.709 -20.716 -15.830 142 HE22 GLN 18 HE22 GLN 18 9.397 -19.936 -14.320 143 H GLU 19 H GLU 19 6.882 -25.230 -15.268 144 HA GLU 19 HA GLU 19 8.309 -27.720 -15.804 145 HB2 GLU 19 HB2 GLU 19 5.551 -27.085 -14.785 146 HB3 GLU 19 HB3 GLU 19 5.981 -28.704 -15.315 147 HG2 GLU 19 HG2 GLU 19 7.564 -28.965 -13.607 148 HG3 GLU 19 HG3 GLU 19 7.577 -27.240 -13.244 149 H TYR 20 H TYR 20 8.286 -28.693 -17.720 150 HA TYR 20 HA TYR 20 6.051 -28.389 -19.534 151 HB2 TYR 20 HB2 TYR 20 8.716 -27.130 -20.021 152 HB3 TYR 20 HB3 TYR 20 7.843 -27.812 -21.388 153 HD1 TYR 20 HD1 TYR 20 5.184 -27.120 -21.262 154 HD2 TYR 20 HD2 TYR 20 8.462 -24.861 -19.761 155 HE1 TYR 20 HE1 TYR 20 3.840 -25.067 -21.432 156 HE2 TYR 20 HE2 TYR 20 7.127 -22.802 -19.927 157 HH TYR 20 HH TYR 20 3.747 -22.886 -21.003 158 H VAL 21 H VAL 21 5.805 -30.125 -20.846 159 HA VAL 21 HA VAL 21 7.599 -32.365 -20.415 160 HB VAL 21 HB VAL 21 5.926 -33.647 -21.750 161 HG11 VAL 21 HG11 VAL 21 3.990 -32.962 -19.986 162 HG12 VAL 21 HG12 VAL 21 5.372 -33.986 -19.594 163 HG13 VAL 21 HG13 VAL 21 5.409 -32.265 -19.206 164 HG21 VAL 21 HG21 VAL 21 3.736 -31.874 -21.646 165 HG22 VAL 21 HG22 VAL 21 5.057 -31.010 -22.432 166 HG23 VAL 21 HG23 VAL 21 4.512 -32.560 -23.074 167 H GLN 22 H GLN 22 8.861 -33.342 -21.939 168 HA GLN 22 HA GLN 22 9.646 -31.756 -24.191 169 HB2 GLN 22 HB2 GLN 22 11.239 -33.113 -22.843 170 HB3 GLN 22 HB3 GLN 22 10.481 -34.570 -23.472 171 HG2 GLN 22 HG2 GLN 22 11.106 -33.846 -25.758 172 HG3 GLN 22 HG3 GLN 22 11.971 -32.485 -25.048 173 HE21 GLN 22 HE21 GLN 22 13.085 -34.535 -26.676 174 HE22 GLN 22 HE22 GLN 22 14.258 -35.373 -25.725 175 H THR 23 H THR 23 9.298 -32.106 -26.341 176 HA THR 23 HA THR 23 6.938 -33.469 -27.100 177 HB THR 23 HB THR 23 7.787 -33.029 -29.468 178 HG1 THR 23 HG1 THR 23 9.723 -31.437 -28.128 179 HG21 THR 23 HG21 THR 23 7.705 -30.428 -28.985 180 HG22 THR 23 HG22 THR 23 7.202 -30.981 -27.387 181 HG23 THR 23 HG23 THR 23 6.271 -31.440 -28.812 182 H VAL 24 H VAL 24 6.955 -35.641 -26.744 183 HA VAL 24 HA VAL 24 9.067 -37.407 -27.087 184 HB VAL 24 HB VAL 24 7.430 -39.196 -27.168 185 HG11 VAL 24 HG11 VAL 24 5.865 -37.835 -25.272 186 HG12 VAL 24 HG12 VAL 24 7.270 -38.863 -24.978 187 HG13 VAL 24 HG13 VAL 24 7.476 -37.123 -25.189 188 HG21 VAL 24 HG21 VAL 24 5.850 -38.342 -28.745 189 HG22 VAL 24 HG22 VAL 24 4.994 -38.629 -27.230 190 HG23 VAL 24 HG23 VAL 24 5.446 -36.988 -27.689 191 H LYS 25 H LYS 25 9.146 -39.203 -28.734 192 HA LYS 25 HA LYS 25 8.490 -38.214 -31.427 193 HB2 LYS 25 HB2 LYS 25 10.626 -38.987 -32.260 194 HB3 LYS 25 HB3 LYS 25 10.892 -37.866 -30.930 195 HG2 LYS 25 HG2 LYS 25 11.320 -39.723 -29.423 196 HG3 LYS 25 HG3 LYS 25 11.000 -40.870 -30.726 197 HD2 LYS 25 HD2 LYS 25 12.875 -39.741 -32.000 198 HD3 LYS 25 HD3 LYS 25 13.271 -38.905 -30.497 199 HE2 LYS 25 HE2 LYS 25 13.246 -41.327 -29.502 200 HE3 LYS 25 HE3 LYS 25 13.497 -41.802 -31.181 201 HZ1 LYS 25 HZ1 LYS 25 15.216 -39.682 -30.183 202 HZ2 LYS 25 HZ2 LYS 25 15.582 -40.990 -31.191 203 HZ3 LYS 25 HZ3 LYS 25 15.479 -41.215 -29.518 Start of MODEL 5 1 H1 ALA 1 H ALA 1 3.728 4.852 -1.744 2 HA ALA 1 HA ALA 1 4.831 6.314 -3.955 3 HB1 ALA 1 HB1 ALA 1 6.616 4.757 -2.438 4 HB2 ALA 1 HB2 ALA 1 6.322 3.873 -3.936 5 HB3 ALA 1 HB3 ALA 1 6.908 5.535 -3.994 6 H MET 2 H MET 2 5.084 4.640 -5.897 7 HA MET 2 HA MET 2 2.643 2.991 -5.856 8 HB2 MET 2 HB2 MET 2 3.979 4.239 -8.262 9 HB3 MET 2 HB3 MET 2 2.439 3.390 -8.236 10 HG2 MET 2 HG2 MET 2 2.021 5.341 -6.386 11 HG3 MET 2 HG3 MET 2 3.083 6.153 -7.534 12 HE1 MET 2 HE1 MET 2 -0.430 6.195 -6.687 13 HE2 MET 2 HE2 MET 2 0.598 7.541 -7.181 14 HE3 MET 2 HE3 MET 2 -0.820 7.115 -8.141 15 H VAL 3 H VAL 3 3.080 0.895 -5.721 16 HA VAL 3 HA VAL 3 5.625 -0.148 -6.665 17 HB VAL 3 HB VAL 3 4.957 -2.249 -5.617 18 HG11 VAL 3 HG11 VAL 3 4.468 -1.200 -3.247 19 HG12 VAL 3 HG12 VAL 3 6.032 -0.990 -4.038 20 HG13 VAL 3 HG13 VAL 3 4.834 0.303 -4.093 21 HG21 VAL 3 HG21 VAL 3 2.346 -0.822 -5.157 22 HG22 VAL 3 HG22 VAL 3 2.618 -2.326 -6.037 23 HG23 VAL 3 HG23 VAL 3 2.820 -2.280 -4.285 24 H SER 4 H SER 4 5.877 -1.682 -8.265 25 HA SER 4 HA SER 4 3.523 -2.123 -9.984 26 HB2 SER 4 HB2 SER 4 5.440 -2.452 -11.770 27 HB3 SER 4 HB3 SER 4 4.879 -0.835 -11.346 28 HG SER 4 HG SER 4 6.856 -0.453 -10.784 29 H GLU 5 H GLU 5 3.735 -3.904 -8.039 30 HA GLU 5 HA GLU 5 5.450 -6.102 -8.550 31 HB2 GLU 5 HB2 GLU 5 4.013 -7.328 -6.975 32 HB3 GLU 5 HB3 GLU 5 4.467 -5.749 -6.351 33 HG2 GLU 5 HG2 GLU 5 2.261 -4.886 -7.105 34 HG3 GLU 5 HG3 GLU 5 1.819 -6.536 -7.541 35 H PHE 6 H PHE 6 2.217 -5.250 -9.614 36 HA PHE 6 HA PHE 6 1.786 -7.814 -10.885 37 HB2 PHE 6 HB2 PHE 6 -0.347 -6.842 -11.627 38 HB3 PHE 6 HB3 PHE 6 -0.112 -6.623 -9.896 39 HD1 PHE 6 HD1 PHE 6 -0.179 -4.948 -13.158 40 HD2 PHE 6 HD2 PHE 6 0.153 -4.443 -8.945 41 HE1 PHE 6 HE1 PHE 6 -0.550 -2.529 -13.422 42 HE2 PHE 6 HE2 PHE 6 -0.218 -2.025 -9.201 43 HZ PHE 6 HZ PHE 6 -0.571 -1.065 -11.442 44 H LEU 7 H LEU 7 2.806 -4.593 -11.773 45 HA LEU 7 HA LEU 7 2.599 -5.060 -14.607 46 HB2 LEU 7 HB2 LEU 7 2.393 -2.819 -13.469 47 HB3 LEU 7 HB3 LEU 7 4.135 -2.879 -13.212 48 HG LEU 7 HG LEU 7 3.259 -1.510 -15.185 49 HD11 LEU 7 HD11 LEU 7 5.132 -3.170 -16.528 50 HD12 LEU 7 HD12 LEU 7 5.580 -3.090 -14.825 51 HD13 LEU 7 HD13 LEU 7 5.395 -1.605 -15.758 52 HD21 LEU 7 HD21 LEU 7 3.197 -4.125 -16.633 53 HD22 LEU 7 HD22 LEU 7 2.538 -2.562 -17.115 54 HD23 LEU 7 HD23 LEU 7 1.741 -3.506 -15.855 55 H LYS 8 H LYS 8 4.984 -5.496 -12.137 56 HA LYS 8 HA LYS 8 7.264 -5.591 -13.848 57 HB2 LYS 8 HB2 LYS 8 6.686 -6.292 -11.009 58 HB3 LYS 8 HB3 LYS 8 8.130 -6.972 -11.748 59 HG2 LYS 8 HG2 LYS 8 7.633 -4.049 -12.000 60 HG3 LYS 8 HG3 LYS 8 8.210 -4.692 -10.461 61 HD2 LYS 8 HD2 LYS 8 10.204 -4.240 -11.506 62 HD3 LYS 8 HD3 LYS 8 9.956 -5.919 -11.994 63 HE2 LYS 8 HE2 LYS 8 9.472 -5.360 -14.158 64 HE3 LYS 8 HE3 LYS 8 8.828 -3.778 -13.720 65 HZ1 LYS 8 HZ1 LYS 8 11.325 -3.373 -13.071 66 HZ2 LYS 8 HZ2 LYS 8 10.787 -3.165 -14.661 67 HZ3 LYS 8 HZ3 LYS 8 11.595 -4.585 -14.221 68 H GLN 9 H GLN 9 4.654 -7.585 -13.658 69 HA GLN 9 HA GLN 9 6.192 -9.835 -14.751 70 HB2 GLN 9 HB2 GLN 9 5.007 -11.445 -13.505 71 HB3 GLN 9 HB3 GLN 9 5.446 -10.203 -12.340 72 HG2 GLN 9 HG2 GLN 9 3.059 -9.267 -13.002 73 HG3 GLN 9 HG3 GLN 9 2.786 -10.964 -13.396 74 HE21 GLN 9 HE21 GLN 9 1.299 -11.212 -11.736 75 HE22 GLN 9 HE22 GLN 9 1.771 -11.277 -10.075 76 H ALA 10 H ALA 10 3.217 -8.008 -14.611 77 HA ALA 10 HA ALA 10 1.493 -9.402 -16.193 78 HB1 ALA 10 HB1 ALA 10 0.615 -7.428 -15.407 79 HB2 ALA 10 HB2 ALA 10 2.020 -6.480 -15.898 80 HB3 ALA 10 HB3 ALA 10 0.864 -7.037 -17.109 81 H TRP 11 H TRP 11 4.330 -7.598 -17.225 82 HA TRP 11 HA TRP 11 3.772 -8.242 -20.024 83 HB2 TRP 11 HB2 TRP 11 5.876 -6.474 -18.761 84 HB3 TRP 11 HB3 TRP 11 5.727 -6.758 -20.493 85 HD1 TRP 11 HD1 TRP 11 5.015 -4.117 -18.286 86 HE1 TRP 11 HE1 TRP 11 2.972 -2.719 -18.991 87 HE3 TRP 11 HE3 TRP 11 2.883 -7.398 -21.576 88 HZ2 TRP 11 HZ2 TRP 11 0.750 -2.974 -20.713 89 HZ3 TRP 11 HZ3 TRP 11 0.799 -6.745 -22.709 90 HH2 TRP 11 HH2 TRP 11 -0.244 -4.578 -22.285 91 H PHE 12 H PHE 12 5.838 -9.119 -17.385 92 HA PHE 12 HA PHE 12 7.391 -10.867 -19.177 93 HB2 PHE 12 HB2 PHE 12 8.330 -10.350 -16.404 94 HB3 PHE 12 HB3 PHE 12 9.258 -10.565 -17.884 95 HD1 PHE 12 HD1 PHE 12 10.067 -8.724 -19.070 96 HD2 PHE 12 HD2 PHE 12 7.123 -8.158 -16.049 97 HE1 PHE 12 HE1 PHE 12 10.372 -6.288 -19.234 98 HE2 PHE 12 HE2 PHE 12 7.423 -5.721 -16.209 99 HZ PHE 12 HZ PHE 12 9.048 -4.783 -17.804 100 H ILE 13 H ILE 13 6.570 -12.853 -19.172 101 HA ILE 13 HA ILE 13 5.956 -14.094 -16.579 102 HB ILE 13 HB ILE 13 4.266 -15.364 -18.386 103 HG12 ILE 13 HG12 ILE 13 4.070 -12.362 -18.716 104 HG13 ILE 13 HG13 ILE 13 4.580 -13.497 -19.961 105 HG21 ILE 13 HG21 ILE 13 2.477 -14.306 -17.045 106 HG22 ILE 13 HG22 ILE 13 3.772 -14.983 -16.059 107 HG23 ILE 13 HG23 ILE 13 3.686 -13.242 -16.325 108 HD11 ILE 13 HD11 ILE 13 2.469 -13.616 -20.601 109 HD12 ILE 13 HD12 ILE 13 2.104 -14.428 -19.078 110 HD13 ILE 13 HD13 ILE 13 1.939 -12.677 -19.207 111 H GLU 14 H GLU 14 7.263 -15.764 -16.288 112 HA GLU 14 HA GLU 14 8.510 -17.065 -18.570 113 HB2 GLU 14 HB2 GLU 14 8.986 -17.040 -15.620 114 HB3 GLU 14 HB3 GLU 14 9.602 -18.388 -16.566 115 HG2 GLU 14 HG2 GLU 14 10.567 -16.468 -18.074 116 HG3 GLU 14 HG3 GLU 14 10.404 -15.527 -16.592 117 H ASN 15 H ASN 15 8.736 -19.500 -18.465 118 HA ASN 15 HA ASN 15 6.086 -20.648 -17.930 119 HB2 ASN 15 HB2 ASN 15 6.991 -22.516 -19.453 120 HB3 ASN 15 HB3 ASN 15 6.603 -20.970 -20.201 121 HD21 ASN 15 HD21 ASN 15 7.996 -21.467 -21.921 122 HD22 ASN 15 HD22 ASN 15 9.711 -21.341 -21.754 123 H GLU 16 H GLU 16 6.558 -20.897 -15.661 124 HA GLU 16 HA GLU 16 8.610 -22.860 -14.976 125 HB2 GLU 16 HB2 GLU 16 8.322 -20.732 -13.659 126 HB3 GLU 16 HB3 GLU 16 6.774 -21.357 -13.108 127 HG2 GLU 16 HG2 GLU 16 8.618 -21.677 -11.493 128 HG3 GLU 16 HG3 GLU 16 7.829 -23.176 -11.979 129 H GLU 17 H GLU 17 5.110 -22.399 -14.819 130 HA GLU 17 HA GLU 17 4.832 -25.252 -14.135 131 HB2 GLU 17 HB2 GLU 17 3.944 -23.449 -12.519 132 HB3 GLU 17 HB3 GLU 17 2.683 -23.190 -13.717 133 HG2 GLU 17 HG2 GLU 17 2.436 -25.811 -13.498 134 HG3 GLU 17 HG3 GLU 17 3.147 -25.498 -11.916 135 H GLN 18 H GLN 18 5.238 -24.286 -16.795 136 HA GLN 18 HA GLN 18 2.656 -24.315 -18.103 137 HB2 GLN 18 HB2 GLN 18 5.363 -23.576 -18.806 138 HB3 GLN 18 HB3 GLN 18 4.654 -24.605 -20.043 139 HG2 GLN 18 HG2 GLN 18 4.362 -22.125 -20.352 140 HG3 GLN 18 HG3 GLN 18 2.896 -23.099 -20.440 141 HE21 GLN 18 HE21 GLN 18 1.234 -22.255 -19.431 142 HE22 GLN 18 HE22 GLN 18 1.290 -21.238 -18.036 143 H GLU 19 H GLU 19 1.762 -25.976 -19.227 144 HA GLU 19 HA GLU 19 2.753 -28.620 -18.671 145 HB2 GLU 19 HB2 GLU 19 0.297 -27.466 -19.899 146 HB3 GLU 19 HB3 GLU 19 0.706 -29.129 -20.296 147 HG2 GLU 19 HG2 GLU 19 0.681 -29.731 -17.955 148 HG3 GLU 19 HG3 GLU 19 0.369 -28.055 -17.505 149 H TYR 20 H TYR 20 4.292 -29.540 -19.841 150 HA TYR 20 HA TYR 20 4.103 -29.673 -22.702 151 HB2 TYR 20 HB2 TYR 20 6.060 -27.858 -21.389 152 HB3 TYR 20 HB3 TYR 20 6.633 -28.809 -22.755 153 HD1 TYR 20 HD1 TYR 20 5.260 -25.751 -21.857 154 HD2 TYR 20 HD2 TYR 20 4.907 -28.777 -24.828 155 HE1 TYR 20 HE1 TYR 20 4.276 -24.110 -23.403 156 HE2 TYR 20 HE2 TYR 20 3.924 -27.144 -26.382 157 HH TYR 20 HH TYR 20 4.113 -24.425 -26.559 158 H VAL 21 H VAL 21 5.148 -31.432 -23.513 159 HA VAL 21 HA VAL 21 6.258 -33.283 -21.578 160 HB VAL 21 HB VAL 21 6.279 -34.902 -23.422 161 HG11 VAL 21 HG11 VAL 21 4.249 -34.668 -22.125 162 HG12 VAL 21 HG12 VAL 21 3.702 -33.354 -23.169 163 HG13 VAL 21 HG13 VAL 21 3.847 -34.990 -23.811 164 HG21 VAL 21 HG21 VAL 21 5.192 -32.652 -25.113 165 HG22 VAL 21 HG22 VAL 21 6.824 -33.310 -25.225 166 HG23 VAL 21 HG23 VAL 21 5.437 -34.324 -25.620 167 H GLN 22 H GLN 22 8.334 -34.057 -21.532 168 HA GLN 22 HA GLN 22 10.306 -32.466 -22.999 169 HB2 GLN 22 HB2 GLN 22 10.446 -32.626 -20.509 170 HB3 GLN 22 HB3 GLN 22 10.749 -34.350 -20.678 171 HG2 GLN 22 HG2 GLN 22 12.850 -33.351 -20.374 172 HG3 GLN 22 HG3 GLN 22 12.744 -33.736 -22.092 173 HE21 GLN 22 HE21 GLN 22 12.772 -31.206 -19.712 174 HE22 GLN 22 HE22 GLN 22 13.024 -29.897 -20.810 175 H THR 23 H THR 23 11.035 -33.301 -24.831 176 HA THR 23 HA THR 23 10.785 -36.069 -25.483 177 HB THR 23 HB THR 23 12.071 -35.464 -27.539 178 HG1 THR 23 HG1 THR 23 11.904 -32.772 -26.683 179 HG21 THR 23 HG21 THR 23 10.348 -33.723 -28.328 180 HG22 THR 23 HG22 THR 23 9.648 -33.890 -26.717 181 HG23 THR 23 HG23 THR 23 9.749 -35.290 -27.784 182 H VAL 24 H VAL 24 12.241 -37.680 -25.359 183 HA VAL 24 HA VAL 24 14.805 -37.077 -24.077 184 HB VAL 24 HB VAL 24 13.456 -39.751 -24.475 185 HG11 VAL 24 HG11 VAL 24 15.620 -40.385 -24.174 186 HG12 VAL 24 HG12 VAL 24 16.050 -38.908 -23.309 187 HG13 VAL 24 HG13 VAL 24 15.161 -40.188 -22.483 188 HG21 VAL 24 HG21 VAL 24 12.083 -38.909 -22.889 189 HG22 VAL 24 HG22 VAL 24 13.413 -39.345 -21.816 190 HG23 VAL 24 HG23 VAL 24 13.243 -37.683 -22.380 191 H LYS 25 H LYS 25 16.666 -37.195 -25.148 192 HA LYS 25 HA LYS 25 16.636 -38.239 -27.885 193 HB2 LYS 25 HB2 LYS 25 17.444 -35.913 -27.453 194 HB3 LYS 25 HB3 LYS 25 18.766 -36.590 -26.512 195 HG2 LYS 25 HG2 LYS 25 19.525 -37.805 -28.528 196 HG3 LYS 25 HG3 LYS 25 18.254 -36.997 -29.451 197 HD2 LYS 25 HD2 LYS 25 19.243 -34.813 -28.785 198 HD3 LYS 25 HD3 LYS 25 20.568 -35.693 -28.019 199 HE2 LYS 25 HE2 LYS 25 21.271 -34.986 -30.204 200 HE3 LYS 25 HE3 LYS 25 21.072 -36.738 -30.212 201 HZ1 LYS 25 HZ1 LYS 25 19.129 -36.588 -31.453 202 HZ2 LYS 25 HZ2 LYS 25 20.126 -35.419 -32.160 203 HZ3 LYS 25 HZ3 LYS 25 18.895 -34.950 -31.099 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.325 7.965 -8.059 2 HA ALA 1 HA ALA 1 0.766 7.774 -10.961 3 HB1 ALA 1 HB1 ALA 1 2.919 7.860 -10.432 4 HB2 ALA 1 HB2 ALA 1 2.544 7.793 -8.710 5 HB3 ALA 1 HB3 ALA 1 2.744 6.300 -9.627 6 H MET 2 H MET 2 1.161 5.622 -11.856 7 HA MET 2 HA MET 2 -0.438 3.572 -10.471 8 HB2 MET 2 HB2 MET 2 -0.740 2.638 -12.832 9 HB3 MET 2 HB3 MET 2 -1.603 4.119 -12.440 10 HG2 MET 2 HG2 MET 2 -0.306 5.406 -13.813 11 HG3 MET 2 HG3 MET 2 1.083 4.329 -13.692 12 HE1 MET 2 HE1 MET 2 1.264 3.236 -16.970 13 HE2 MET 2 HE2 MET 2 1.924 3.470 -15.352 14 HE3 MET 2 HE3 MET 2 1.183 1.930 -15.788 15 H VAL 3 H VAL 3 0.787 2.029 -9.625 16 HA VAL 3 HA VAL 3 3.410 1.450 -10.752 17 HB VAL 3 HB VAL 3 3.793 0.096 -8.775 18 HG11 VAL 3 HG11 VAL 3 4.146 1.851 -7.390 19 HG12 VAL 3 HG12 VAL 3 3.662 2.773 -8.815 20 HG13 VAL 3 HG13 VAL 3 2.491 2.441 -7.538 21 HG21 VAL 3 HG21 VAL 3 1.828 0.348 -7.001 22 HG22 VAL 3 HG22 VAL 3 0.856 0.390 -8.471 23 HG23 VAL 3 HG23 VAL 3 1.896 -0.995 -8.142 24 H SER 4 H SER 4 4.068 -0.593 -11.450 25 HA SER 4 HA SER 4 1.874 -2.464 -12.069 26 HB2 SER 4 HB2 SER 4 3.529 -3.091 -14.028 27 HB3 SER 4 HB3 SER 4 2.435 -1.717 -14.185 28 HG SER 4 HG SER 4 4.078 -0.362 -14.010 29 H GLU 5 H GLU 5 3.009 -2.873 -9.712 30 HA GLU 5 HA GLU 5 5.372 -4.438 -9.729 31 HB2 GLU 5 HB2 GLU 5 4.820 -4.986 -7.434 32 HB3 GLU 5 HB3 GLU 5 4.516 -3.279 -7.721 33 HG2 GLU 5 HG2 GLU 5 2.124 -3.762 -7.975 34 HG3 GLU 5 HG3 GLU 5 2.446 -5.461 -7.634 35 H PHE 6 H PHE 6 1.960 -5.196 -10.031 36 HA PHE 6 HA PHE 6 2.418 -8.051 -9.898 37 HB2 PHE 6 HB2 PHE 6 0.032 -8.273 -10.189 38 HB3 PHE 6 HB3 PHE 6 0.336 -6.997 -9.016 39 HD1 PHE 6 HD1 PHE 6 -0.857 -7.771 -12.381 40 HD2 PHE 6 HD2 PHE 6 -0.148 -4.688 -9.534 41 HE1 PHE 6 HE1 PHE 6 -2.230 -6.227 -13.717 42 HE2 PHE 6 HE2 PHE 6 -1.520 -3.139 -10.864 43 HZ PHE 6 HZ PHE 6 -2.564 -3.908 -12.958 44 H LEU 7 H LEU 7 1.971 -5.584 -12.330 45 HA LEU 7 HA LEU 7 1.615 -7.454 -14.491 46 HB2 LEU 7 HB2 LEU 7 0.686 -5.111 -14.408 47 HB3 LEU 7 HB3 LEU 7 2.329 -4.537 -14.687 48 HG LEU 7 HG LEU 7 0.745 -4.666 -16.690 49 HD11 LEU 7 HD11 LEU 7 2.657 -4.426 -17.780 50 HD12 LEU 7 HD12 LEU 7 2.937 -6.165 -17.696 51 HD13 LEU 7 HD13 LEU 7 3.527 -5.115 -16.408 52 HD21 LEU 7 HD21 LEU 7 0.067 -7.061 -15.958 53 HD22 LEU 7 HD22 LEU 7 1.541 -7.547 -16.796 54 HD23 LEU 7 HD23 LEU 7 0.264 -6.703 -17.674 55 H LYS 8 H LYS 8 4.265 -5.889 -12.910 56 HA LYS 8 HA LYS 8 6.167 -6.182 -15.014 57 HB2 LYS 8 HB2 LYS 8 6.268 -5.485 -12.117 58 HB3 LYS 8 HB3 LYS 8 7.759 -6.004 -12.892 59 HG2 LYS 8 HG2 LYS 8 6.058 -3.810 -14.028 60 HG3 LYS 8 HG3 LYS 8 7.295 -3.509 -12.805 61 HD2 LYS 8 HD2 LYS 8 8.970 -4.549 -14.300 62 HD3 LYS 8 HD3 LYS 8 7.718 -4.736 -15.531 63 HE2 LYS 8 HE2 LYS 8 8.818 -2.770 -16.138 64 HE3 LYS 8 HE3 LYS 8 7.378 -2.207 -15.292 65 HZ1 LYS 8 HZ1 LYS 8 9.934 -2.574 -13.862 66 HZ2 LYS 8 HZ2 LYS 8 8.608 -1.617 -13.431 67 HZ3 LYS 8 HZ3 LYS 8 9.610 -1.145 -14.709 68 H GLN 9 H GLN 9 4.598 -8.452 -13.224 69 HA GLN 9 HA GLN 9 6.748 -10.403 -13.666 70 HB2 GLN 9 HB2 GLN 9 6.462 -11.421 -11.562 71 HB3 GLN 9 HB3 GLN 9 6.512 -9.696 -11.224 72 HG2 GLN 9 HG2 GLN 9 3.910 -9.894 -11.421 73 HG3 GLN 9 HG3 GLN 9 4.226 -11.594 -11.077 74 HE21 GLN 9 HE21 GLN 9 5.848 -11.871 -9.199 75 HE22 GLN 9 HE22 GLN 9 5.517 -10.921 -7.795 76 H ALA 10 H ALA 10 3.337 -9.685 -13.426 77 HA ALA 10 HA ALA 10 2.117 -12.108 -13.669 78 HB1 ALA 10 HB1 ALA 10 0.641 -10.346 -13.570 79 HB2 ALA 10 HB2 ALA 10 1.484 -9.429 -14.819 80 HB3 ALA 10 HB3 ALA 10 0.498 -10.822 -15.263 81 H TRP 11 H TRP 11 3.863 -10.354 -16.169 82 HA TRP 11 HA TRP 11 3.258 -12.451 -18.118 83 HB2 TRP 11 HB2 TRP 11 4.636 -9.776 -18.422 84 HB3 TRP 11 HB3 TRP 11 4.397 -10.924 -19.735 85 HD1 TRP 11 HD1 TRP 11 2.984 -7.858 -18.759 86 HE1 TRP 11 HE1 TRP 11 0.485 -7.653 -19.341 87 HE3 TRP 11 HE3 TRP 11 1.924 -12.799 -19.535 88 HZ2 TRP 11 HZ2 TRP 11 -1.653 -9.360 -20.037 89 HZ3 TRP 11 HZ3 TRP 11 -0.372 -13.429 -20.155 90 HH2 TRP 11 HH2 TRP 11 -2.122 -11.744 -20.400 91 H PHE 12 H PHE 12 5.816 -11.248 -16.113 92 HA PHE 12 HA PHE 12 7.693 -13.139 -17.369 93 HB2 PHE 12 HB2 PHE 12 8.692 -11.053 -15.501 94 HB3 PHE 12 HB3 PHE 12 9.437 -11.712 -16.953 95 HD1 PHE 12 HD1 PHE 12 9.300 -10.581 -18.991 96 HD2 PHE 12 HD2 PHE 12 6.776 -9.426 -15.765 97 HE1 PHE 12 HE1 PHE 12 8.599 -8.591 -20.256 98 HE2 PHE 12 HE2 PHE 12 6.070 -7.435 -17.025 99 HZ PHE 12 HZ PHE 12 6.981 -7.015 -19.274 100 H ILE 13 H ILE 13 7.727 -14.990 -16.275 101 HA ILE 13 HA ILE 13 7.981 -14.867 -13.349 102 HB ILE 13 HB ILE 13 6.714 -17.292 -13.846 103 HG12 ILE 13 HG12 ILE 13 5.313 -15.065 -15.342 104 HG13 ILE 13 HG13 ILE 13 6.068 -16.474 -16.078 105 HG21 ILE 13 HG21 ILE 13 4.836 -16.257 -12.612 106 HG22 ILE 13 HG22 ILE 13 6.405 -15.949 -11.871 107 HG23 ILE 13 HG23 ILE 13 5.610 -14.686 -12.810 108 HD11 ILE 13 HD11 ILE 13 4.453 -17.849 -14.656 109 HD12 ILE 13 HD12 ILE 13 3.586 -16.332 -14.416 110 HD13 ILE 13 HD13 ILE 13 3.800 -16.977 -16.043 111 H GLU 14 H GLU 14 9.701 -15.926 -12.618 112 HA GLU 14 HA GLU 14 11.555 -17.184 -14.274 113 HB2 GLU 14 HB2 GLU 14 11.134 -17.112 -11.311 114 HB3 GLU 14 HB3 GLU 14 12.346 -18.192 -11.985 115 HG2 GLU 14 HG2 GLU 14 13.363 -16.220 -13.123 116 HG3 GLU 14 HG3 GLU 14 12.234 -15.198 -12.235 117 H ASN 15 H ASN 15 11.480 -19.074 -15.275 118 HA ASN 15 HA ASN 15 9.945 -21.264 -14.038 119 HB2 ASN 15 HB2 ASN 15 10.323 -21.018 -17.012 120 HB3 ASN 15 HB3 ASN 15 9.113 -21.943 -16.126 121 HD21 ASN 15 HD21 ASN 15 9.544 -19.316 -17.993 122 HD22 ASN 15 HD22 ASN 15 8.215 -18.346 -17.464 123 H GLU 16 H GLU 16 12.226 -21.503 -13.094 124 HA GLU 16 HA GLU 16 14.070 -22.832 -14.932 125 HB2 GLU 16 HB2 GLU 16 14.643 -21.061 -13.044 126 HB3 GLU 16 HB3 GLU 16 14.671 -22.496 -12.029 127 HG2 GLU 16 HG2 GLU 16 16.200 -22.551 -14.572 128 HG3 GLU 16 HG3 GLU 16 16.835 -21.597 -13.232 129 H GLU 17 H GLU 17 12.199 -23.459 -12.000 130 HA GLU 17 HA GLU 17 12.840 -26.320 -12.263 131 HB2 GLU 17 HB2 GLU 17 12.103 -24.614 -9.907 132 HB3 GLU 17 HB3 GLU 17 11.832 -26.350 -9.864 133 HG2 GLU 17 HG2 GLU 17 13.901 -26.191 -8.902 134 HG3 GLU 17 HG3 GLU 17 14.327 -26.482 -10.588 135 H GLN 18 H GLN 18 10.900 -25.032 -13.921 136 HA GLN 18 HA GLN 18 8.293 -25.690 -12.862 137 HB2 GLN 18 HB2 GLN 18 9.354 -24.235 -15.159 138 HB3 GLN 18 HB3 GLN 18 7.971 -25.240 -15.572 139 HG2 GLN 18 HG2 GLN 18 6.779 -24.164 -13.618 140 HG3 GLN 18 HG3 GLN 18 8.112 -23.011 -13.568 141 HE21 GLN 18 HE21 GLN 18 6.025 -21.691 -13.913 142 HE22 GLN 18 HE22 GLN 18 5.664 -21.299 -15.556 143 H GLU 19 H GLU 19 6.856 -27.229 -13.801 144 HA GLU 19 HA GLU 19 8.264 -29.597 -14.780 145 HB2 GLU 19 HB2 GLU 19 6.741 -29.742 -12.794 146 HB3 GLU 19 HB3 GLU 19 5.396 -29.362 -13.860 147 HG2 GLU 19 HG2 GLU 19 5.717 -31.382 -15.096 148 HG3 GLU 19 HG3 GLU 19 7.208 -31.734 -14.224 149 H TYR 20 H TYR 20 8.320 -29.964 -16.887 150 HA TYR 20 HA TYR 20 5.961 -29.817 -18.505 151 HB2 TYR 20 HB2 TYR 20 7.973 -27.648 -18.600 152 HB3 TYR 20 HB3 TYR 20 7.442 -28.274 -20.157 153 HD1 TYR 20 HD1 TYR 20 6.860 -25.773 -17.877 154 HD2 TYR 20 HD2 TYR 20 4.726 -28.655 -20.168 155 HE1 TYR 20 HE1 TYR 20 4.840 -24.376 -17.741 156 HE2 TYR 20 HE2 TYR 20 2.700 -27.266 -20.039 157 HH TYR 20 HH TYR 20 1.969 -25.258 -18.077 158 H VAL 21 H VAL 21 6.137 -31.008 -20.380 159 HA VAL 21 HA VAL 21 8.428 -32.771 -20.521 160 HB VAL 21 HB VAL 21 7.162 -33.941 -22.282 161 HG11 VAL 21 HG11 VAL 21 5.752 -33.321 -19.701 162 HG12 VAL 21 HG12 VAL 21 5.164 -34.540 -20.834 163 HG13 VAL 21 HG13 VAL 21 6.756 -34.716 -20.094 164 HG21 VAL 21 HG21 VAL 21 5.089 -31.798 -21.822 165 HG22 VAL 21 HG22 VAL 21 6.051 -32.017 -23.284 166 HG23 VAL 21 HG23 VAL 21 4.873 -33.241 -22.812 167 H GLN 22 H GLN 22 9.978 -32.805 -22.062 168 HA GLN 22 HA GLN 22 10.518 -30.485 -23.552 169 HB2 GLN 22 HB2 GLN 22 11.696 -33.193 -23.317 170 HB3 GLN 22 HB3 GLN 22 12.078 -32.302 -24.785 171 HG2 GLN 22 HG2 GLN 22 12.376 -30.883 -22.202 172 HG3 GLN 22 HG3 GLN 22 13.554 -32.133 -22.596 173 HE21 GLN 22 HE21 GLN 22 15.272 -30.794 -22.906 174 HE22 GLN 22 HE22 GLN 22 15.377 -29.657 -24.202 175 H THR 23 H THR 23 10.374 -30.027 -25.737 176 HA THR 23 HA THR 23 8.133 -31.111 -27.102 177 HB THR 23 HB THR 23 8.633 -29.600 -28.881 178 HG1 THR 23 HG1 THR 23 10.785 -29.859 -29.266 179 HG21 THR 23 HG21 THR 23 7.819 -28.520 -26.859 180 HG22 THR 23 HG22 THR 23 8.969 -27.468 -27.686 181 HG23 THR 23 HG23 THR 23 9.468 -28.367 -26.253 182 H VAL 24 H VAL 24 8.056 -32.306 -29.030 183 HA VAL 24 HA VAL 24 10.526 -33.551 -29.968 184 HB VAL 24 HB VAL 24 9.630 -35.065 -28.225 185 HG11 VAL 24 HG11 VAL 24 7.231 -34.439 -28.637 186 HG12 VAL 24 HG12 VAL 24 7.279 -35.482 -30.059 187 HG13 VAL 24 HG13 VAL 24 7.537 -36.165 -28.454 188 HG21 VAL 24 HG21 VAL 24 10.916 -35.942 -30.120 189 HG22 VAL 24 HG22 VAL 24 9.708 -37.099 -29.561 190 HG23 VAL 24 HG23 VAL 24 9.420 -36.163 -31.028 191 H LYS 25 H LYS 25 10.547 -33.856 -32.117 192 HA LYS 25 HA LYS 25 8.169 -34.285 -33.654 193 HB2 LYS 25 HB2 LYS 25 8.220 -31.774 -33.188 194 HB3 LYS 25 HB3 LYS 25 9.643 -31.717 -34.220 195 HG2 LYS 25 HG2 LYS 25 8.447 -32.193 -36.127 196 HG3 LYS 25 HG3 LYS 25 7.141 -32.981 -35.239 197 HD2 LYS 25 HD2 LYS 25 6.469 -30.782 -34.339 198 HD3 LYS 25 HD3 LYS 25 7.733 -30.022 -35.308 199 HE2 LYS 25 HE2 LYS 25 6.560 -31.267 -37.282 200 HE3 LYS 25 HE3 LYS 25 5.184 -31.314 -36.181 201 HZ1 LYS 25 HZ1 LYS 25 6.597 -28.781 -36.718 202 HZ2 LYS 25 HZ2 LYS 25 5.016 -29.018 -36.165 203 HZ3 LYS 25 HZ3 LYS 25 5.405 -29.342 -37.779 Start of MODEL 7 1 H1 ALA 1 H ALA 1 -0.676 4.525 -2.991 2 HA ALA 1 HA ALA 1 -1.043 5.174 -5.674 3 HB1 ALA 1 HB1 ALA 1 1.137 4.428 -3.983 4 HB2 ALA 1 HB2 ALA 1 1.271 3.577 -5.522 5 HB3 ALA 1 HB3 ALA 1 1.161 5.337 -5.494 6 H MET 2 H MET 2 -0.163 3.610 -7.471 7 HA MET 2 HA MET 2 -1.716 1.117 -7.254 8 HB2 MET 2 HB2 MET 2 -0.957 2.511 -9.818 9 HB3 MET 2 HB3 MET 2 -2.143 1.232 -9.596 10 HG2 MET 2 HG2 MET 2 -3.262 3.016 -8.014 11 HG3 MET 2 HG3 MET 2 -2.349 4.136 -9.023 12 HE1 MET 2 HE1 MET 2 -5.621 1.258 -10.532 13 HE2 MET 2 HE2 MET 2 -4.126 0.711 -9.773 14 HE3 MET 2 HE3 MET 2 -5.321 1.603 -8.828 15 H VAL 3 H VAL 3 -0.477 -0.613 -6.996 16 HA VAL 3 HA VAL 3 2.286 -0.597 -7.912 17 HB VAL 3 HB VAL 3 2.516 -2.708 -6.703 18 HG11 VAL 3 HG11 VAL 3 1.412 -0.289 -5.388 19 HG12 VAL 3 HG12 VAL 3 1.592 -1.744 -4.405 20 HG13 VAL 3 HG13 VAL 3 2.994 -1.049 -5.219 21 HG21 VAL 3 HG21 VAL 3 -0.439 -2.407 -6.184 22 HG22 VAL 3 HG22 VAL 3 0.353 -3.689 -7.100 23 HG23 VAL 3 HG23 VAL 3 0.610 -3.560 -5.360 24 H SER 4 H SER 4 3.167 -2.095 -9.344 25 HA SER 4 HA SER 4 1.205 -3.549 -10.995 26 HB2 SER 4 HB2 SER 4 3.114 -3.223 -12.789 27 HB3 SER 4 HB3 SER 4 1.946 -1.939 -12.482 28 HG SER 4 HG SER 4 3.715 -0.817 -12.187 29 H GLU 5 H GLU 5 2.091 -4.933 -8.920 30 HA GLU 5 HA GLU 5 4.552 -6.291 -9.294 31 HB2 GLU 5 HB2 GLU 5 3.733 -7.842 -7.587 32 HB3 GLU 5 HB3 GLU 5 3.454 -6.173 -7.112 33 HG2 GLU 5 HG2 GLU 5 1.115 -6.376 -7.825 34 HG3 GLU 5 HG3 GLU 5 1.405 -8.062 -8.248 35 H PHE 6 H PHE 6 1.262 -6.898 -10.352 36 HA PHE 6 HA PHE 6 1.914 -9.512 -11.409 37 HB2 PHE 6 HB2 PHE 6 -0.410 -9.587 -12.132 38 HB3 PHE 6 HB3 PHE 6 -0.321 -9.047 -10.459 39 HD1 PHE 6 HD1 PHE 6 -0.919 -6.797 -9.843 40 HD2 PHE 6 HD2 PHE 6 -1.064 -8.066 -13.903 41 HE1 PHE 6 HE1 PHE 6 -2.238 -4.800 -10.416 42 HE2 PHE 6 HE2 PHE 6 -2.382 -6.071 -14.483 43 HZ PHE 6 HZ PHE 6 -2.970 -4.435 -12.739 44 H LEU 7 H LEU 7 1.564 -6.235 -12.568 45 HA LEU 7 HA LEU 7 1.595 -6.971 -15.351 46 HB2 LEU 7 HB2 LEU 7 0.491 -4.919 -14.387 47 HB3 LEU 7 HB3 LEU 7 2.108 -4.253 -14.165 48 HG LEU 7 HG LEU 7 0.776 -3.515 -16.219 49 HD11 LEU 7 HD11 LEU 7 3.173 -4.383 -17.470 50 HD12 LEU 7 HD12 LEU 7 3.533 -3.995 -15.788 51 HD13 LEU 7 HD13 LEU 7 2.776 -2.789 -16.828 52 HD21 LEU 7 HD21 LEU 7 1.789 -6.042 -17.456 53 HD22 LEU 7 HD22 LEU 7 0.562 -4.920 -18.044 54 HD23 LEU 7 HD23 LEU 7 0.198 -5.999 -16.697 55 H LYS 8 H LYS 8 3.924 -6.214 -12.907 56 HA LYS 8 HA LYS 8 6.070 -5.521 -14.653 57 HB2 LYS 8 HB2 LYS 8 5.789 -6.166 -11.756 58 HB3 LYS 8 HB3 LYS 8 7.393 -6.266 -12.470 59 HG2 LYS 8 HG2 LYS 8 5.646 -3.830 -12.688 60 HG3 LYS 8 HG3 LYS 8 6.812 -4.078 -11.387 61 HD2 LYS 8 HD2 LYS 8 7.717 -4.363 -14.215 62 HD3 LYS 8 HD3 LYS 8 7.471 -2.744 -13.554 63 HE2 LYS 8 HE2 LYS 8 8.967 -3.373 -11.659 64 HE3 LYS 8 HE3 LYS 8 9.300 -4.893 -12.488 65 HZ1 LYS 8 HZ1 LYS 8 9.850 -3.191 -14.429 66 HZ2 LYS 8 HZ2 LYS 8 11.007 -3.683 -13.297 67 HZ3 LYS 8 HZ3 LYS 8 10.217 -2.199 -13.108 68 H GLN 9 H GLN 9 4.481 -8.373 -14.254 69 HA GLN 9 HA GLN 9 6.806 -9.894 -15.203 70 HB2 GLN 9 HB2 GLN 9 6.360 -11.738 -13.808 71 HB3 GLN 9 HB3 GLN 9 6.242 -10.336 -12.753 72 HG2 GLN 9 HG2 GLN 9 3.702 -10.471 -13.364 73 HG3 GLN 9 HG3 GLN 9 4.102 -12.144 -13.752 74 HE21 GLN 9 HE21 GLN 9 5.516 -13.192 -11.981 75 HE22 GLN 9 HE22 GLN 9 4.958 -12.961 -10.362 76 H ALA 10 H ALA 10 3.346 -9.413 -15.137 77 HA ALA 10 HA ALA 10 2.346 -11.503 -16.568 78 HB1 ALA 10 HB1 ALA 10 1.651 -8.602 -16.513 79 HB2 ALA 10 HB2 ALA 10 0.830 -9.671 -17.651 80 HB3 ALA 10 HB3 ALA 10 0.739 -9.991 -15.919 81 H TRP 11 H TRP 11 4.229 -8.800 -17.801 82 HA TRP 11 HA TRP 11 4.008 -9.837 -20.528 83 HB2 TRP 11 HB2 TRP 11 5.208 -7.277 -19.453 84 HB3 TRP 11 HB3 TRP 11 5.205 -7.736 -21.154 85 HD1 TRP 11 HD1 TRP 11 3.466 -5.435 -19.145 86 HE1 TRP 11 HE1 TRP 11 1.042 -5.038 -19.912 87 HE3 TRP 11 HE3 TRP 11 2.872 -9.549 -22.121 88 HZ2 TRP 11 HZ2 TRP 11 -0.870 -6.302 -21.560 89 HZ3 TRP 11 HZ3 TRP 11 0.715 -9.882 -23.256 90 HH2 TRP 11 HH2 TRP 11 -1.117 -8.291 -22.980 91 H PHE 12 H PHE 12 6.224 -9.593 -17.876 92 HA PHE 12 HA PHE 12 8.367 -10.707 -19.561 93 HB2 PHE 12 HB2 PHE 12 8.989 -9.637 -16.857 94 HB3 PHE 12 HB3 PHE 12 9.942 -9.579 -18.336 95 HD1 PHE 12 HD1 PHE 12 9.953 -7.670 -19.681 96 HD2 PHE 12 HD2 PHE 12 6.999 -8.093 -16.646 97 HE1 PHE 12 HE1 PHE 12 9.254 -5.338 -20.040 98 HE2 PHE 12 HE2 PHE 12 6.295 -5.763 -17.001 99 HZ PHE 12 HZ PHE 12 7.422 -4.382 -18.700 100 H ILE 13 H ILE 13 8.415 -12.849 -19.383 101 HA ILE 13 HA ILE 13 8.324 -14.021 -16.689 102 HB ILE 13 HB ILE 13 7.307 -16.002 -18.355 103 HG12 ILE 13 HG12 ILE 13 5.924 -13.368 -18.910 104 HG13 ILE 13 HG13 ILE 13 6.860 -14.298 -20.075 105 HG21 ILE 13 HG21 ILE 13 6.678 -15.667 -16.052 106 HG22 ILE 13 HG22 ILE 13 5.902 -14.136 -16.451 107 HG23 ILE 13 HG23 ILE 13 5.230 -15.649 -17.058 108 HD11 ILE 13 HD11 ILE 13 5.011 -16.114 -19.152 109 HD12 ILE 13 HD12 ILE 13 4.106 -14.601 -19.235 110 HD13 ILE 13 HD13 ILE 13 4.931 -15.216 -20.667 111 H GLU 14 H GLU 14 10.253 -14.885 -16.326 112 HA GLU 14 HA GLU 14 12.044 -15.623 -18.422 113 HB2 GLU 14 HB2 GLU 14 13.561 -16.280 -16.655 114 HB3 GLU 14 HB3 GLU 14 12.807 -14.748 -16.237 115 HG2 GLU 14 HG2 GLU 14 11.130 -16.179 -14.913 116 HG3 GLU 14 HG3 GLU 14 12.335 -17.457 -15.064 117 H ASN 15 H ASN 15 12.347 -17.535 -19.377 118 HA ASN 15 HA ASN 15 11.056 -19.903 -18.190 119 HB2 ASN 15 HB2 ASN 15 11.348 -19.575 -21.161 120 HB3 ASN 15 HB3 ASN 15 10.234 -20.603 -20.264 121 HD21 ASN 15 HD21 ASN 15 9.930 -18.444 -22.357 122 HD22 ASN 15 HD22 ASN 15 8.723 -17.394 -21.704 123 H GLU 16 H GLU 16 13.731 -19.160 -17.734 124 HA GLU 16 HA GLU 16 15.321 -20.901 -19.463 125 HB2 GLU 16 HB2 GLU 16 16.058 -18.554 -18.764 126 HB3 GLU 16 HB3 GLU 16 16.343 -19.237 -17.169 127 HG2 GLU 16 HG2 GLU 16 17.581 -20.485 -19.582 128 HG3 GLU 16 HG3 GLU 16 18.297 -19.050 -18.850 129 H GLU 17 H GLU 17 14.353 -20.534 -16.084 130 HA GLU 17 HA GLU 17 15.419 -23.230 -15.554 131 HB2 GLU 17 HB2 GLU 17 16.227 -21.083 -14.251 132 HB3 GLU 17 HB3 GLU 17 14.741 -21.334 -13.346 133 HG2 GLU 17 HG2 GLU 17 15.477 -23.278 -12.400 134 HG3 GLU 17 HG3 GLU 17 16.569 -23.643 -13.734 135 H GLN 18 H GLN 18 12.881 -22.746 -16.776 136 HA GLN 18 HA GLN 18 10.840 -23.021 -14.767 137 HB2 GLN 18 HB2 GLN 18 10.881 -22.274 -17.441 138 HB3 GLN 18 HB3 GLN 18 10.070 -23.835 -17.454 139 HG2 GLN 18 HG2 GLN 18 8.569 -22.936 -15.641 140 HG3 GLN 18 HG3 GLN 18 9.272 -21.352 -15.967 141 HE21 GLN 18 HE21 GLN 18 7.090 -20.725 -16.487 142 HE22 GLN 18 HE22 GLN 18 6.455 -21.058 -18.059 143 H GLU 19 H GLU 19 9.919 -24.843 -14.008 144 HA GLU 19 HA GLU 19 11.212 -27.357 -14.620 145 HB2 GLU 19 HB2 GLU 19 8.915 -26.850 -12.726 146 HB3 GLU 19 HB3 GLU 19 9.972 -28.254 -12.757 147 HG2 GLU 19 HG2 GLU 19 10.690 -25.443 -11.975 148 HG3 GLU 19 HG3 GLU 19 10.625 -26.867 -10.938 149 H TYR 20 H TYR 20 10.564 -28.580 -16.252 150 HA TYR 20 HA TYR 20 7.796 -29.260 -16.594 151 HB2 TYR 20 HB2 TYR 20 9.139 -27.348 -18.439 152 HB3 TYR 20 HB3 TYR 20 8.098 -28.572 -19.156 153 HD1 TYR 20 HD1 TYR 20 5.713 -28.786 -18.090 154 HD2 TYR 20 HD2 TYR 20 8.203 -25.358 -17.711 155 HE1 TYR 20 HE1 TYR 20 3.737 -27.416 -17.570 156 HE2 TYR 20 HE2 TYR 20 6.235 -23.978 -17.190 157 HH TYR 20 HH TYR 20 3.767 -24.620 -16.125 158 H VAL 21 H VAL 21 7.525 -31.173 -17.682 159 HA VAL 21 HA VAL 21 9.957 -32.677 -18.210 160 HB VAL 21 HB VAL 21 8.419 -34.617 -18.471 161 HG11 VAL 21 HG11 VAL 21 9.370 -34.306 -16.328 162 HG12 VAL 21 HG12 VAL 21 8.277 -32.972 -15.956 163 HG13 VAL 21 HG13 VAL 21 7.655 -34.619 -16.063 164 HG21 VAL 21 HG21 VAL 21 6.495 -32.716 -18.932 165 HG22 VAL 21 HG22 VAL 21 6.193 -34.423 -18.605 166 HG23 VAL 21 HG23 VAL 21 6.128 -33.248 -17.291 167 H GLN 22 H GLN 22 10.487 -33.629 -20.161 168 HA GLN 22 HA GLN 22 9.744 -32.230 -22.502 169 HB2 GLN 22 HB2 GLN 22 11.097 -33.924 -23.688 170 HB3 GLN 22 HB3 GLN 22 11.937 -33.242 -22.302 171 HG2 GLN 22 HG2 GLN 22 11.165 -35.265 -21.002 172 HG3 GLN 22 HG3 GLN 22 10.669 -35.951 -22.549 173 HE21 GLN 22 HE21 GLN 22 12.259 -36.438 -24.100 174 HE22 GLN 22 HE22 GLN 22 13.911 -36.671 -23.649 175 H THR 23 H THR 23 8.036 -32.482 -23.770 176 HA THR 23 HA THR 23 6.489 -34.977 -23.563 177 HB THR 23 HB THR 23 4.566 -33.691 -24.410 178 HG1 THR 23 HG1 THR 23 6.068 -31.322 -24.041 179 HG21 THR 23 HG21 THR 23 5.931 -33.191 -21.882 180 HG22 THR 23 HG22 THR 23 4.230 -33.535 -22.200 181 HG23 THR 23 HG23 THR 23 4.839 -31.886 -22.344 182 H VAL 24 H VAL 24 6.588 -36.318 -25.231 183 HA VAL 24 HA VAL 24 7.760 -35.483 -27.734 184 HB VAL 24 HB VAL 24 6.562 -38.172 -27.064 185 HG11 VAL 24 HG11 VAL 24 8.322 -38.874 -28.785 186 HG12 VAL 24 HG12 VAL 24 6.874 -38.060 -29.382 187 HG13 VAL 24 HG13 VAL 24 8.388 -37.167 -29.224 188 HG21 VAL 24 HG21 VAL 24 9.091 -38.709 -26.741 189 HG22 VAL 24 HG22 VAL 24 9.225 -36.981 -26.415 190 HG23 VAL 24 HG23 VAL 24 8.172 -37.987 -25.420 191 H LYS 25 H LYS 25 6.705 -34.868 -29.502 192 HA LYS 25 HA LYS 25 3.800 -35.345 -29.629 193 HB2 LYS 25 HB2 LYS 25 3.707 -33.302 -31.053 194 HB3 LYS 25 HB3 LYS 25 4.245 -32.990 -29.408 195 HG2 LYS 25 HG2 LYS 25 6.439 -32.599 -30.065 196 HG3 LYS 25 HG3 LYS 25 6.224 -33.423 -31.611 197 HD2 LYS 25 HD2 LYS 25 4.601 -30.989 -31.017 198 HD3 LYS 25 HD3 LYS 25 6.292 -30.804 -31.489 199 HE2 LYS 25 HE2 LYS 25 5.687 -32.372 -33.443 200 HE3 LYS 25 HE3 LYS 25 4.015 -31.978 -33.047 201 HZ1 LYS 25 HZ1 LYS 25 4.833 -29.562 -33.190 202 HZ2 LYS 25 HZ2 LYS 25 4.567 -30.410 -34.629 203 HZ3 LYS 25 HZ3 LYS 25 6.143 -30.202 -34.049 Start of MODEL 8 1 H1 ALA 1 H ALA 1 0.949 -2.642 1.188 2 HA ALA 1 HA ALA 1 1.321 -0.279 -0.487 3 HB1 ALA 1 HB1 ALA 1 3.432 -2.157 -1.041 4 HB2 ALA 1 HB2 ALA 1 3.529 -0.433 -0.678 5 HB3 ALA 1 HB3 ALA 1 3.503 -1.610 0.635 6 H MET 2 H MET 2 1.750 -0.979 -2.822 7 HA MET 2 HA MET 2 0.084 -3.337 -3.409 8 HB2 MET 2 HB2 MET 2 -0.321 -2.127 -5.626 9 HB3 MET 2 HB3 MET 2 -1.104 -1.467 -4.197 10 HG2 MET 2 HG2 MET 2 0.557 0.265 -4.029 11 HG3 MET 2 HG3 MET 2 1.471 -0.438 -5.361 12 HE1 MET 2 HE1 MET 2 0.687 2.144 -7.633 13 HE2 MET 2 HE2 MET 2 0.511 2.874 -6.038 14 HE3 MET 2 HE3 MET 2 1.722 1.619 -6.305 15 H VAL 3 H VAL 3 1.236 -4.993 -4.132 16 HA VAL 3 HA VAL 3 3.806 -4.539 -5.428 17 HB VAL 3 HB VAL 3 4.168 -6.925 -5.218 18 HG11 VAL 3 HG11 VAL 3 4.740 -5.664 -3.278 19 HG12 VAL 3 HG12 VAL 3 3.061 -5.622 -2.737 20 HG13 VAL 3 HG13 VAL 3 3.953 -7.144 -2.731 21 HG21 VAL 3 HG21 VAL 3 1.253 -6.937 -4.652 22 HG22 VAL 3 HG22 VAL 3 2.231 -8.075 -5.580 23 HG23 VAL 3 HG23 VAL 3 2.259 -8.121 -3.817 24 H SER 4 H SER 4 4.352 -5.361 -7.469 25 HA SER 4 HA SER 4 2.069 -6.106 -9.176 26 HB2 SER 4 HB2 SER 4 3.540 -4.892 -11.002 27 HB3 SER 4 HB3 SER 4 2.459 -3.965 -9.962 28 HG SER 4 HG SER 4 4.135 -3.156 -8.907 29 H GLU 5 H GLU 5 3.395 -8.123 -8.089 30 HA GLU 5 HA GLU 5 5.723 -8.965 -9.470 31 HB2 GLU 5 HB2 GLU 5 5.288 -11.159 -8.456 32 HB3 GLU 5 HB3 GLU 5 5.146 -9.862 -7.278 33 HG2 GLU 5 HG2 GLU 5 2.680 -9.937 -7.590 34 HG3 GLU 5 HG3 GLU 5 2.903 -11.352 -8.616 35 H PHE 6 H PHE 6 2.286 -9.401 -10.021 36 HA PHE 6 HA PHE 6 2.708 -11.280 -12.182 37 HB2 PHE 6 HB2 PHE 6 0.299 -11.323 -12.381 38 HB3 PHE 6 HB3 PHE 6 0.727 -11.422 -10.676 39 HD1 PHE 6 HD1 PHE 6 0.152 -9.678 -9.148 40 HD2 PHE 6 HD2 PHE 6 -0.673 -9.278 -13.305 41 HE1 PHE 6 HE1 PHE 6 -1.301 -7.751 -8.671 42 HE2 PHE 6 HE2 PHE 6 -2.127 -7.349 -12.834 43 HZ PHE 6 HZ PHE 6 -2.442 -6.583 -10.515 44 H LEU 7 H LEU 7 2.091 -7.867 -11.766 45 HA LEU 7 HA LEU 7 1.520 -7.395 -14.548 46 HB2 LEU 7 HB2 LEU 7 0.641 -6.034 -12.617 47 HB3 LEU 7 HB3 LEU 7 2.263 -5.363 -12.455 48 HG LEU 7 HG LEU 7 0.511 -3.983 -13.707 49 HD11 LEU 7 HD11 LEU 7 2.327 -2.882 -14.334 50 HD12 LEU 7 HD12 LEU 7 2.586 -4.029 -15.648 51 HD13 LEU 7 HD13 LEU 7 3.299 -4.328 -14.063 52 HD21 LEU 7 HD21 LEU 7 -0.085 -4.533 -15.872 53 HD22 LEU 7 HD22 LEU 7 -0.143 -6.098 -15.060 54 HD23 LEU 7 HD23 LEU 7 1.246 -5.674 -16.062 55 H LYS 8 H LYS 8 4.322 -7.480 -12.519 56 HA LYS 8 HA LYS 8 6.031 -5.931 -14.197 57 HB2 LYS 8 HB2 LYS 8 6.393 -7.726 -11.844 58 HB3 LYS 8 HB3 LYS 8 7.803 -7.368 -12.832 59 HG2 LYS 8 HG2 LYS 8 7.604 -5.034 -12.412 60 HG3 LYS 8 HG3 LYS 8 6.031 -5.250 -11.641 61 HD2 LYS 8 HD2 LYS 8 6.986 -6.316 -9.765 62 HD3 LYS 8 HD3 LYS 8 8.530 -6.550 -10.587 63 HE2 LYS 8 HE2 LYS 8 7.483 -3.786 -10.159 64 HE3 LYS 8 HE3 LYS 8 8.247 -4.643 -8.822 65 HZ1 LYS 8 HZ1 LYS 8 9.866 -3.323 -9.986 66 HZ2 LYS 8 HZ2 LYS 8 9.475 -4.053 -11.460 67 HZ3 LYS 8 HZ3 LYS 8 10.208 -4.961 -10.236 68 H GLN 9 H GLN 9 4.584 -8.837 -14.727 69 HA GLN 9 HA GLN 9 6.656 -9.607 -16.660 70 HB2 GLN 9 HB2 GLN 9 6.530 -11.894 -16.110 71 HB3 GLN 9 HB3 GLN 9 6.644 -11.063 -14.565 72 HG2 GLN 9 HG2 GLN 9 4.003 -11.176 -14.736 73 HG3 GLN 9 HG3 GLN 9 4.385 -12.562 -15.756 74 HE21 GLN 9 HE21 GLN 9 3.582 -14.067 -14.335 75 HE22 GLN 9 HE22 GLN 9 4.342 -14.437 -12.828 76 H ALA 10 H ALA 10 3.290 -9.530 -15.726 77 HA ALA 10 HA ALA 10 2.016 -10.940 -17.677 78 HB1 ALA 10 HB1 ALA 10 0.576 -9.991 -16.158 79 HB2 ALA 10 HB2 ALA 10 1.331 -8.401 -16.270 80 HB3 ALA 10 HB3 ALA 10 0.291 -8.977 -17.572 81 H TRP 11 H TRP 11 3.569 -7.801 -18.001 82 HA TRP 11 HA TRP 11 2.767 -7.649 -20.811 83 HB2 TRP 11 HB2 TRP 11 4.157 -5.649 -19.018 84 HB3 TRP 11 HB3 TRP 11 3.787 -5.371 -20.718 85 HD1 TRP 11 HD1 TRP 11 2.513 -4.272 -17.631 86 HE1 TRP 11 HE1 TRP 11 -0.023 -3.832 -17.671 87 HE3 TRP 11 HE3 TRP 11 1.310 -6.847 -21.880 88 HZ2 TRP 11 HZ2 TRP 11 -2.240 -4.491 -19.289 89 HZ3 TRP 11 HZ3 TRP 11 -1.041 -6.894 -22.605 90 HH2 TRP 11 HH2 TRP 11 -2.778 -5.739 -21.335 91 H PHE 12 H PHE 12 5.505 -8.299 -18.790 92 HA PHE 12 HA PHE 12 7.237 -8.415 -21.169 93 HB2 PHE 12 HB2 PHE 12 8.426 -8.487 -18.444 94 HB3 PHE 12 HB3 PHE 12 9.033 -7.738 -19.917 95 HD1 PHE 12 HD1 PHE 12 6.520 -7.364 -17.223 96 HD2 PHE 12 HD2 PHE 12 8.740 -5.455 -20.311 97 HE1 PHE 12 HE1 PHE 12 5.740 -5.172 -16.422 98 HE2 PHE 12 HE2 PHE 12 7.966 -3.259 -19.515 99 HZ PHE 12 HZ PHE 12 6.464 -3.116 -17.568 100 H ILE 13 H ILE 13 7.335 -10.427 -21.920 101 HA ILE 13 HA ILE 13 7.840 -12.599 -20.004 102 HB ILE 13 HB ILE 13 6.497 -13.816 -22.114 103 HG12 ILE 13 HG12 ILE 13 5.010 -11.332 -21.232 104 HG13 ILE 13 HG13 ILE 13 5.676 -11.610 -22.837 105 HG21 ILE 13 HG21 ILE 13 6.381 -14.513 -19.810 106 HG22 ILE 13 HG22 ILE 13 5.528 -13.035 -19.369 107 HG23 ILE 13 HG23 ILE 13 4.749 -14.225 -20.412 108 HD11 ILE 13 HD11 ILE 13 3.394 -12.069 -23.026 109 HD12 ILE 13 HD12 ILE 13 4.167 -13.652 -22.930 110 HD13 ILE 13 HD13 ILE 13 3.362 -12.976 -21.514 111 H GLU 14 H GLU 14 9.738 -13.489 -20.433 112 HA GLU 14 HA GLU 14 10.897 -13.229 -23.094 113 HB2 GLU 14 HB2 GLU 14 12.134 -14.368 -20.583 114 HB3 GLU 14 HB3 GLU 14 12.975 -13.955 -22.070 115 HG2 GLU 14 HG2 GLU 14 12.190 -11.578 -21.690 116 HG3 GLU 14 HG3 GLU 14 11.717 -12.101 -20.074 117 H ASN 15 H ASN 15 11.342 -14.901 -24.448 118 HA ASN 15 HA ASN 15 9.814 -17.252 -24.262 119 HB2 ASN 15 HB2 ASN 15 10.904 -16.073 -26.330 120 HB3 ASN 15 HB3 ASN 15 12.277 -17.113 -25.967 121 HD21 ASN 15 HD21 ASN 15 8.764 -17.594 -25.868 122 HD22 ASN 15 HD22 ASN 15 8.755 -18.983 -26.897 123 H GLU 16 H GLU 16 13.194 -16.575 -23.508 124 HA GLU 16 HA GLU 16 14.122 -19.165 -23.130 125 HB2 GLU 16 HB2 GLU 16 15.347 -16.856 -23.015 126 HB3 GLU 16 HB3 GLU 16 14.983 -16.955 -21.298 127 HG2 GLU 16 HG2 GLU 16 17.050 -17.902 -21.327 128 HG3 GLU 16 HG3 GLU 16 16.050 -19.339 -21.533 129 H GLU 17 H GLU 17 12.279 -17.085 -20.970 130 HA GLU 17 HA GLU 17 12.212 -19.250 -18.981 131 HB2 GLU 17 HB2 GLU 17 11.862 -16.276 -18.772 132 HB3 GLU 17 HB3 GLU 17 11.208 -17.339 -17.533 133 HG2 GLU 17 HG2 GLU 17 14.096 -17.246 -18.374 134 HG3 GLU 17 HG3 GLU 17 13.422 -16.431 -16.964 135 H GLN 18 H GLN 18 10.642 -19.358 -21.366 136 HA GLN 18 HA GLN 18 7.947 -18.593 -20.679 137 HB2 GLN 18 HB2 GLN 18 8.591 -18.503 -23.002 138 HB3 GLN 18 HB3 GLN 18 9.076 -20.193 -22.979 139 HG2 GLN 18 HG2 GLN 18 6.966 -19.997 -24.090 140 HG3 GLN 18 HG3 GLN 18 6.730 -20.825 -22.552 141 HE21 GLN 18 HE21 GLN 18 5.927 -18.123 -24.476 142 HE22 GLN 18 HE22 GLN 18 4.846 -17.361 -23.364 143 H GLU 19 H GLU 19 6.245 -19.957 -20.163 144 HA GLU 19 HA GLU 19 6.874 -22.205 -18.573 145 HB2 GLU 19 HB2 GLU 19 4.778 -20.598 -18.602 146 HB3 GLU 19 HB3 GLU 19 4.125 -21.824 -19.679 147 HG2 GLU 19 HG2 GLU 19 3.465 -22.166 -17.344 148 HG3 GLU 19 HG3 GLU 19 4.392 -23.519 -17.991 149 H TYR 20 H TYR 20 7.120 -24.285 -19.070 150 HA TYR 20 HA TYR 20 5.808 -25.496 -21.321 151 HB2 TYR 20 HB2 TYR 20 8.688 -24.745 -21.442 152 HB3 TYR 20 HB3 TYR 20 8.222 -26.305 -22.109 153 HD1 TYR 20 HD1 TYR 20 8.953 -23.137 -23.063 154 HD2 TYR 20 HD2 TYR 20 5.816 -25.978 -23.501 155 HE1 TYR 20 HE1 TYR 20 8.247 -22.028 -25.142 156 HE2 TYR 20 HE2 TYR 20 5.103 -24.878 -25.582 157 HH TYR 20 HH TYR 20 6.975 -22.288 -27.027 158 H VAL 21 H VAL 21 5.520 -27.630 -20.996 159 HA VAL 21 HA VAL 21 6.566 -28.765 -18.534 160 HB VAL 21 HB VAL 21 5.047 -30.667 -19.037 161 HG11 VAL 21 HG11 VAL 21 3.461 -28.144 -19.297 162 HG12 VAL 21 HG12 VAL 21 3.134 -29.576 -18.318 163 HG13 VAL 21 HG13 VAL 21 4.412 -28.455 -17.845 164 HG21 VAL 21 HG21 VAL 21 5.169 -29.729 -21.631 165 HG22 VAL 21 HG22 VAL 21 4.066 -30.963 -21.021 166 HG23 VAL 21 HG23 VAL 21 3.547 -29.280 -21.104 167 H GLN 22 H GLN 22 7.710 -30.719 -18.403 168 HA GLN 22 HA GLN 22 9.386 -31.247 -20.727 169 HB2 GLN 22 HB2 GLN 22 10.329 -30.891 -18.408 170 HB3 GLN 22 HB3 GLN 22 9.630 -32.442 -17.967 171 HG2 GLN 22 HG2 GLN 22 10.962 -33.430 -19.878 172 HG3 GLN 22 HG3 GLN 22 11.814 -31.888 -19.947 173 HE21 GLN 22 HE21 GLN 22 11.439 -34.865 -18.298 174 HE22 GLN 22 HE22 GLN 22 12.679 -34.628 -17.119 175 H THR 23 H THR 23 9.555 -33.213 -21.748 176 HA THR 23 HA THR 23 7.247 -34.835 -21.835 177 HB THR 23 HB THR 23 9.744 -36.046 -22.839 178 HG1 THR 23 HG1 THR 23 10.423 -34.316 -23.834 179 HG21 THR 23 HG21 THR 23 6.921 -35.784 -23.581 180 HG22 THR 23 HG22 THR 23 8.056 -37.098 -23.888 181 HG23 THR 23 HG23 THR 23 8.036 -35.686 -24.944 182 H VAL 24 H VAL 24 6.628 -36.367 -20.472 183 HA VAL 24 HA VAL 24 8.306 -37.332 -18.385 184 HB VAL 24 HB VAL 24 5.870 -37.105 -18.110 185 HG11 VAL 24 HG11 VAL 24 4.323 -38.158 -19.372 186 HG12 VAL 24 HG12 VAL 24 5.633 -38.219 -20.552 187 HG13 VAL 24 HG13 VAL 24 5.295 -39.620 -19.536 188 HG21 VAL 24 HG21 VAL 24 5.489 -39.240 -16.961 189 HG22 VAL 24 HG22 VAL 24 6.891 -39.926 -17.782 190 HG23 VAL 24 HG23 VAL 24 7.101 -38.602 -16.637 191 H LYS 25 H LYS 25 9.410 -39.209 -18.184 192 HA LYS 25 HA LYS 25 9.728 -40.816 -20.601 193 HB2 LYS 25 HB2 LYS 25 11.758 -39.974 -19.529 194 HB3 LYS 25 HB3 LYS 25 11.313 -40.773 -18.026 195 HG2 LYS 25 HG2 LYS 25 12.950 -42.126 -19.050 196 HG3 LYS 25 HG3 LYS 25 11.406 -42.950 -19.284 197 HD2 LYS 25 HD2 LYS 25 12.296 -43.109 -21.395 198 HD3 LYS 25 HD3 LYS 25 11.393 -41.599 -21.538 199 HE2 LYS 25 HE2 LYS 25 13.488 -41.128 -22.474 200 HE3 LYS 25 HE3 LYS 25 13.560 -40.439 -20.853 201 HZ1 LYS 25 HZ1 LYS 25 15.494 -41.910 -21.764 202 HZ2 LYS 25 HZ2 LYS 25 14.505 -43.186 -21.259 203 HZ3 LYS 25 HZ3 LYS 25 15.022 -42.024 -20.143 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.471 5.371 -1.577 2 HA ALA 1 HA ALA 1 2.644 6.598 -3.890 3 HB1 ALA 1 HB1 ALA 1 4.312 4.316 -3.281 4 HB2 ALA 1 HB2 ALA 1 4.769 5.960 -3.729 5 HB3 ALA 1 HB3 ALA 1 4.441 5.565 -2.042 6 H MET 2 H MET 2 2.898 4.999 -5.690 7 HA MET 2 HA MET 2 0.883 2.866 -5.422 8 HB2 MET 2 HB2 MET 2 0.698 3.138 -7.960 9 HB3 MET 2 HB3 MET 2 0.015 4.415 -6.962 10 HG2 MET 2 HG2 MET 2 1.782 5.882 -7.440 11 HG3 MET 2 HG3 MET 2 2.785 4.589 -8.092 12 HE1 MET 2 HE1 MET 2 -0.393 7.114 -9.896 13 HE2 MET 2 HE2 MET 2 0.545 7.246 -8.408 14 HE3 MET 2 HE3 MET 2 1.278 7.678 -9.954 15 H VAL 3 H VAL 3 1.733 0.901 -5.389 16 HA VAL 3 HA VAL 3 4.365 0.427 -6.552 17 HB VAL 3 HB VAL 3 4.306 -1.724 -5.422 18 HG11 VAL 3 HG11 VAL 3 3.291 -0.145 -3.195 19 HG12 VAL 3 HG12 VAL 3 4.905 -0.800 -3.478 20 HG13 VAL 3 HG13 VAL 3 4.436 0.738 -4.204 21 HG21 VAL 3 HG21 VAL 3 2.336 -2.184 -3.885 22 HG22 VAL 3 HG22 VAL 3 1.462 -0.964 -4.810 23 HG23 VAL 3 HG23 VAL 3 2.060 -2.416 -5.611 24 H SER 4 H SER 4 4.789 -1.240 -8.045 25 HA SER 4 HA SER 4 2.434 -2.203 -9.531 26 HB2 SER 4 HB2 SER 4 4.145 -2.100 -11.537 27 HB3 SER 4 HB3 SER 4 3.253 -0.660 -11.048 28 HG SER 4 HG SER 4 5.269 0.072 -11.055 29 H GLU 5 H GLU 5 3.318 -3.811 -7.621 30 HA GLU 5 HA GLU 5 5.456 -5.529 -8.339 31 HB2 GLU 5 HB2 GLU 5 4.683 -6.964 -6.560 32 HB3 GLU 5 HB3 GLU 5 4.574 -5.291 -6.031 33 HG2 GLU 5 HG2 GLU 5 2.118 -5.466 -6.848 34 HG3 GLU 5 HG3 GLU 5 2.391 -7.203 -6.718 35 H PHE 6 H PHE 6 2.010 -5.543 -8.995 36 HA PHE 6 HA PHE 6 2.088 -8.174 -10.200 37 HB2 PHE 6 HB2 PHE 6 -0.283 -7.852 -10.613 38 HB3 PHE 6 HB3 PHE 6 0.091 -7.382 -8.959 39 HD1 PHE 6 HD1 PHE 6 -0.070 -5.090 -8.249 40 HD2 PHE 6 HD2 PHE 6 -0.875 -6.190 -12.281 41 HE1 PHE 6 HE1 PHE 6 -1.108 -2.893 -8.637 42 HE2 PHE 6 HE2 PHE 6 -1.912 -3.994 -12.676 43 HZ PHE 6 HZ PHE 6 -2.029 -2.342 -10.854 44 H LEU 7 H LEU 7 2.148 -4.830 -11.210 45 HA LEU 7 HA LEU 7 1.726 -5.423 -13.996 46 HB2 LEU 7 HB2 LEU 7 1.102 -3.270 -12.845 47 HB3 LEU 7 HB3 LEU 7 2.822 -2.887 -12.800 48 HG LEU 7 HG LEU 7 1.406 -1.839 -14.654 49 HD11 LEU 7 HD11 LEU 7 3.415 -1.419 -15.483 50 HD12 LEU 7 HD12 LEU 7 3.467 -3.024 -16.211 51 HD13 LEU 7 HD13 LEU 7 4.075 -2.780 -14.574 52 HD21 LEU 7 HD21 LEU 7 0.369 -4.168 -15.135 53 HD22 LEU 7 HD22 LEU 7 1.834 -4.434 -16.081 54 HD23 LEU 7 HD23 LEU 7 0.754 -3.097 -16.483 55 H LYS 8 H LYS 8 4.425 -5.170 -11.843 56 HA LYS 8 HA LYS 8 6.431 -4.754 -13.828 57 HB2 LYS 8 HB2 LYS 8 6.398 -5.481 -10.936 58 HB3 LYS 8 HB3 LYS 8 7.866 -5.799 -11.851 59 HG2 LYS 8 HG2 LYS 8 6.565 -3.105 -11.923 60 HG3 LYS 8 HG3 LYS 8 7.644 -3.565 -10.603 61 HD2 LYS 8 HD2 LYS 8 8.507 -3.933 -13.444 62 HD3 LYS 8 HD3 LYS 8 8.604 -2.340 -12.691 63 HE2 LYS 8 HE2 LYS 8 10.092 -3.119 -11.023 64 HE3 LYS 8 HE3 LYS 8 9.789 -4.805 -11.439 65 HZ1 LYS 8 HZ1 LYS 8 11.933 -3.652 -12.262 66 HZ2 LYS 8 HZ2 LYS 8 10.931 -2.990 -13.453 67 HZ3 LYS 8 HZ3 LYS 8 11.086 -4.669 -13.316 68 H GLN 9 H GLN 9 4.449 -7.326 -13.304 69 HA GLN 9 HA GLN 9 6.360 -9.161 -14.571 70 HB2 GLN 9 HB2 GLN 9 5.773 -10.969 -13.182 71 HB3 GLN 9 HB3 GLN 9 6.015 -9.617 -12.083 72 HG2 GLN 9 HG2 GLN 9 3.410 -9.330 -12.456 73 HG3 GLN 9 HG3 GLN 9 3.529 -11.053 -12.813 74 HE21 GLN 9 HE21 GLN 9 2.447 -11.741 -11.014 75 HE22 GLN 9 HE22 GLN 9 3.073 -11.585 -9.412 76 H ALA 10 H ALA 10 3.061 -8.123 -14.076 77 HA ALA 10 HA ALA 10 1.570 -9.955 -15.435 78 HB1 ALA 10 HB1 ALA 10 1.375 -6.991 -15.188 79 HB2 ALA 10 HB2 ALA 10 0.273 -7.839 -16.274 80 HB3 ALA 10 HB3 ALA 10 0.309 -8.248 -14.559 81 H TRP 11 H TRP 11 3.721 -7.533 -16.804 82 HA TRP 11 HA TRP 11 3.015 -8.378 -19.515 83 HB2 TRP 11 HB2 TRP 11 4.746 -6.109 -18.512 84 HB3 TRP 11 HB3 TRP 11 4.475 -6.473 -20.214 85 HD1 TRP 11 HD1 TRP 11 3.387 -4.025 -17.939 86 HE1 TRP 11 HE1 TRP 11 0.994 -3.196 -18.398 87 HE3 TRP 11 HE3 TRP 11 1.775 -7.827 -20.953 88 HZ2 TRP 11 HZ2 TRP 11 -1.277 -4.042 -19.845 89 HZ3 TRP 11 HZ3 TRP 11 -0.521 -7.742 -21.832 90 HH2 TRP 11 HH2 TRP 11 -2.014 -5.888 -21.288 91 H PHE 12 H PHE 12 5.525 -8.652 -17.145 92 HA PHE 12 HA PHE 12 7.239 -10.016 -19.115 93 HB2 PHE 12 HB2 PHE 12 8.351 -9.199 -16.482 94 HB3 PHE 12 HB3 PHE 12 9.114 -9.220 -18.068 95 HD1 PHE 12 HD1 PHE 12 9.302 -7.268 -19.331 96 HD2 PHE 12 HD2 PHE 12 6.674 -7.367 -15.984 97 HE1 PHE 12 HE1 PHE 12 8.968 -4.838 -19.525 98 HE2 PHE 12 HE2 PHE 12 6.336 -4.938 -16.173 99 HZ PHE 12 HZ PHE 12 7.482 -3.670 -17.946 100 H ILE 13 H ILE 13 6.933 -12.141 -19.006 101 HA ILE 13 HA ILE 13 6.974 -13.412 -16.355 102 HB ILE 13 HB ILE 13 5.425 -15.124 -17.873 103 HG12 ILE 13 HG12 ILE 13 4.462 -12.289 -18.312 104 HG13 ILE 13 HG13 ILE 13 5.127 -13.338 -19.559 105 HG21 ILE 13 HG21 ILE 13 4.488 -15.056 -15.859 106 HG22 ILE 13 HG22 ILE 13 5.176 -13.467 -15.527 107 HG23 ILE 13 HG23 ILE 13 3.636 -13.601 -16.375 108 HD11 ILE 13 HD11 ILE 13 3.139 -14.890 -18.566 109 HD12 ILE 13 HD12 ILE 13 2.456 -13.275 -18.377 110 HD13 ILE 13 HD13 ILE 13 2.989 -13.827 -19.965 111 H GLU 14 H GLU 14 8.474 -14.942 -16.194 112 HA GLU 14 HA GLU 14 10.099 -15.656 -18.422 113 HB2 GLU 14 HB2 GLU 14 10.896 -15.482 -16.050 114 HB3 GLU 14 HB3 GLU 14 10.019 -16.964 -15.700 115 HG2 GLU 14 HG2 GLU 14 12.078 -17.830 -16.084 116 HG3 GLU 14 HG3 GLU 14 11.438 -17.874 -17.726 117 H ASN 15 H ASN 15 10.021 -17.383 -19.731 118 HA ASN 15 HA ASN 15 7.832 -19.292 -19.315 119 HB2 ASN 15 HB2 ASN 15 9.314 -18.353 -21.757 120 HB3 ASN 15 HB3 ASN 15 8.402 -19.859 -21.783 121 HD21 ASN 15 HD21 ASN 15 7.714 -17.883 -23.482 122 HD22 ASN 15 HD22 ASN 15 6.213 -17.173 -23.007 123 H GLU 16 H GLU 16 10.138 -19.629 -17.762 124 HA GLU 16 HA GLU 16 11.702 -21.733 -19.026 125 HB2 GLU 16 HB2 GLU 16 12.571 -19.864 -17.421 126 HB3 GLU 16 HB3 GLU 16 11.979 -20.927 -16.152 127 HG2 GLU 16 HG2 GLU 16 14.347 -21.270 -16.554 128 HG3 GLU 16 HG3 GLU 16 13.419 -22.714 -16.954 129 H GLU 17 H GLU 17 9.326 -21.319 -16.457 130 HA GLU 17 HA GLU 17 9.330 -24.208 -15.966 131 HB2 GLU 17 HB2 GLU 17 9.392 -22.380 -14.112 132 HB3 GLU 17 HB3 GLU 17 7.671 -22.232 -14.436 133 HG2 GLU 17 HG2 GLU 17 7.675 -24.817 -14.115 134 HG3 GLU 17 HG3 GLU 17 9.189 -24.512 -13.265 135 H GLN 18 H GLN 18 8.273 -23.202 -18.424 136 HA GLN 18 HA GLN 18 5.406 -23.147 -18.230 137 HB2 GLN 18 HB2 GLN 18 7.413 -22.714 -20.288 138 HB3 GLN 18 HB3 GLN 18 6.054 -23.655 -20.887 139 HG2 GLN 18 HG2 GLN 18 5.650 -21.098 -19.380 140 HG3 GLN 18 HG3 GLN 18 5.952 -21.117 -21.116 141 HE21 GLN 18 HE21 GLN 18 4.171 -20.959 -22.254 142 HE22 GLN 18 HE22 GLN 18 2.631 -21.626 -21.846 143 H GLU 19 H GLU 19 3.953 -24.734 -18.842 144 HA GLU 19 HA GLU 19 4.683 -27.401 -18.312 145 HB2 GLU 19 HB2 GLU 19 2.213 -26.420 -19.753 146 HB3 GLU 19 HB3 GLU 19 2.411 -27.976 -18.958 147 HG2 GLU 19 HG2 GLU 19 2.378 -25.278 -17.626 148 HG3 GLU 19 HG3 GLU 19 1.098 -26.489 -17.585 149 H TYR 20 H TYR 20 5.574 -28.898 -19.562 150 HA TYR 20 HA TYR 20 5.031 -29.045 -22.386 151 HB2 TYR 20 HB2 TYR 20 7.618 -27.998 -21.348 152 HB3 TYR 20 HB3 TYR 20 7.676 -29.097 -22.721 153 HD1 TYR 20 HD1 TYR 20 5.593 -28.437 -24.465 154 HD2 TYR 20 HD2 TYR 20 7.808 -25.794 -21.973 155 HE1 TYR 20 HE1 TYR 20 5.068 -26.574 -25.983 156 HE2 TYR 20 HE2 TYR 20 7.287 -23.924 -23.483 157 HH TYR 20 HH TYR 20 6.670 -23.716 -26.008 158 H VAL 21 H VAL 21 5.301 -31.079 -23.169 159 HA VAL 21 HA VAL 21 5.879 -33.158 -21.249 160 HB VAL 21 HB VAL 21 5.274 -34.712 -23.084 161 HG11 VAL 21 HG11 VAL 21 3.299 -32.473 -22.650 162 HG12 VAL 21 HG12 VAL 21 2.913 -34.111 -23.180 163 HG13 VAL 21 HG13 VAL 21 3.566 -33.836 -21.564 164 HG21 VAL 21 HG21 VAL 21 4.749 -32.203 -24.674 165 HG22 VAL 21 HG22 VAL 21 6.097 -33.308 -24.942 166 HG23 VAL 21 HG23 VAL 21 4.441 -33.861 -25.191 167 H GLN 22 H GLN 22 7.584 -34.559 -21.254 168 HA GLN 22 HA GLN 22 9.847 -33.810 -22.965 169 HB2 GLN 22 HB2 GLN 22 11.193 -35.126 -21.294 170 HB3 GLN 22 HB3 GLN 22 10.407 -33.690 -20.652 171 HG2 GLN 22 HG2 GLN 22 8.975 -36.281 -20.443 172 HG3 GLN 22 HG3 GLN 22 10.353 -35.997 -19.381 173 HE21 GLN 22 HE21 GLN 22 10.304 -33.952 -18.144 174 HE22 GLN 22 HE22 GLN 22 8.779 -33.404 -17.546 175 H THR 23 H THR 23 10.676 -35.169 -24.434 176 HA THR 23 HA THR 23 9.452 -37.834 -24.654 177 HB THR 23 HB THR 23 9.990 -37.807 -26.997 178 HG1 THR 23 HG1 THR 23 11.202 -36.162 -27.916 179 HG21 THR 23 HG21 THR 23 8.257 -35.965 -25.782 180 HG22 THR 23 HG22 THR 23 8.194 -36.563 -27.440 181 HG23 THR 23 HG23 THR 23 9.073 -35.080 -27.070 182 H VAL 24 H VAL 24 10.668 -39.653 -24.662 183 HA VAL 24 HA VAL 24 13.408 -39.430 -23.778 184 HB VAL 24 HB VAL 24 11.848 -41.125 -22.835 185 HG11 VAL 24 HG11 VAL 24 10.890 -41.612 -25.187 186 HG12 VAL 24 HG12 VAL 24 12.243 -42.736 -25.328 187 HG13 VAL 24 HG13 VAL 24 11.054 -42.942 -24.041 188 HG21 VAL 24 HG21 VAL 24 14.516 -41.316 -23.275 189 HG22 VAL 24 HG22 VAL 24 13.578 -42.474 -22.331 190 HG23 VAL 24 HG23 VAL 24 13.944 -42.807 -24.024 191 H LYS 25 H LYS 25 15.233 -40.065 -24.865 192 HA LYS 25 HA LYS 25 14.890 -40.641 -27.735 193 HB2 LYS 25 HB2 LYS 25 17.068 -39.097 -26.320 194 HB3 LYS 25 HB3 LYS 25 17.147 -39.574 -28.011 195 HG2 LYS 25 HG2 LYS 25 14.772 -38.045 -27.089 196 HG3 LYS 25 HG3 LYS 25 16.304 -37.190 -27.289 197 HD2 LYS 25 HD2 LYS 25 15.351 -38.988 -29.471 198 HD3 LYS 25 HD3 LYS 25 14.606 -37.398 -29.283 199 HE2 LYS 25 HE2 LYS 25 16.316 -36.890 -30.721 200 HE3 LYS 25 HE3 LYS 25 17.106 -36.598 -29.172 201 HZ1 LYS 25 HZ1 LYS 25 18.457 -38.365 -29.427 202 HZ2 LYS 25 HZ2 LYS 25 18.152 -38.119 -31.072 203 HZ3 LYS 25 HZ3 LYS 25 17.295 -39.303 -30.221 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.227 8.817 -5.732 2 HA ALA 1 HA ALA 1 2.497 8.575 -8.579 3 HB1 ALA 1 HB1 ALA 1 4.615 8.270 -8.003 4 HB2 ALA 1 HB2 ALA 1 4.158 8.191 -6.301 5 HB3 ALA 1 HB3 ALA 1 4.189 6.721 -7.274 6 H MET 2 H MET 2 2.615 6.540 -9.731 7 HA MET 2 HA MET 2 0.748 4.544 -8.633 8 HB2 MET 2 HB2 MET 2 0.407 3.949 -11.095 9 HB3 MET 2 HB3 MET 2 -0.281 5.468 -10.536 10 HG2 MET 2 HG2 MET 2 1.203 6.741 -11.718 11 HG3 MET 2 HG3 MET 2 2.447 5.492 -11.712 12 HE1 MET 2 HE1 MET 2 2.989 6.142 -14.042 13 HE2 MET 2 HE2 MET 2 2.058 5.723 -15.480 14 HE3 MET 2 HE3 MET 2 1.644 7.163 -14.550 15 H VAL 3 H VAL 3 1.755 2.773 -7.964 16 HA VAL 3 HA VAL 3 4.333 2.025 -9.082 17 HB VAL 3 HB VAL 3 4.438 0.359 -7.318 18 HG11 VAL 3 HG11 VAL 3 4.134 3.178 -6.886 19 HG12 VAL 3 HG12 VAL 3 3.584 2.288 -5.464 20 HG13 VAL 3 HG13 VAL 3 5.216 2.037 -6.088 21 HG21 VAL 3 HG21 VAL 3 1.616 1.215 -6.688 22 HG22 VAL 3 HG22 VAL 3 2.140 -0.368 -7.263 23 HG23 VAL 3 HG23 VAL 3 2.608 0.186 -5.655 24 H SER 4 H SER 4 4.784 0.035 -10.050 25 HA SER 4 HA SER 4 2.426 -1.449 -11.014 26 HB2 SER 4 HB2 SER 4 4.064 -1.966 -13.007 27 HB3 SER 4 HB3 SER 4 3.165 -0.449 -12.971 28 HG SER 4 HG SER 4 5.885 -0.927 -12.512 29 H GLU 5 H GLU 5 3.494 -2.275 -8.693 30 HA GLU 5 HA GLU 5 5.633 -4.113 -8.922 31 HB2 GLU 5 HB2 GLU 5 4.960 -4.901 -6.723 32 HB3 GLU 5 HB3 GLU 5 4.910 -3.145 -6.775 33 HG2 GLU 5 HG2 GLU 5 2.955 -3.606 -5.689 34 HG3 GLU 5 HG3 GLU 5 2.396 -3.519 -7.358 35 H PHE 6 H PHE 6 2.169 -4.384 -9.365 36 HA PHE 6 HA PHE 6 2.276 -7.272 -9.614 37 HB2 PHE 6 HB2 PHE 6 -0.116 -7.169 -9.902 38 HB3 PHE 6 HB3 PHE 6 0.327 -6.101 -8.574 39 HD1 PHE 6 HD1 PHE 6 -0.898 -6.276 -12.016 40 HD2 PHE 6 HD2 PHE 6 0.093 -3.713 -8.766 41 HE1 PHE 6 HE1 PHE 6 -2.073 -4.421 -13.126 42 HE2 PHE 6 HE2 PHE 6 -1.081 -1.854 -9.869 43 HZ PHE 6 HZ PHE 6 -2.167 -2.206 -12.052 44 H LEU 7 H LEU 7 2.168 -4.452 -11.667 45 HA LEU 7 HA LEU 7 1.589 -5.930 -14.069 46 HB2 LEU 7 HB2 LEU 7 0.982 -3.521 -13.647 47 HB3 LEU 7 HB3 LEU 7 2.690 -3.138 -13.849 48 HG LEU 7 HG LEU 7 1.132 -2.764 -15.841 49 HD11 LEU 7 HD11 LEU 7 3.117 -4.390 -17.062 50 HD12 LEU 7 HD12 LEU 7 3.823 -3.617 -15.644 51 HD13 LEU 7 HD13 LEU 7 3.072 -2.634 -16.900 52 HD21 LEU 7 HD21 LEU 7 0.125 -5.124 -15.457 53 HD22 LEU 7 HD22 LEU 7 1.532 -5.682 -16.364 54 HD23 LEU 7 HD23 LEU 7 0.394 -4.555 -17.105 55 H LYS 8 H LYS 8 4.411 -4.966 -12.309 56 HA LYS 8 HA LYS 8 6.276 -5.219 -14.451 57 HB2 LYS 8 HB2 LYS 8 6.717 -3.911 -12.387 58 HB3 LYS 8 HB3 LYS 8 6.766 -5.413 -11.474 59 HG2 LYS 8 HG2 LYS 8 8.771 -6.078 -12.428 60 HG3 LYS 8 HG3 LYS 8 8.584 -4.999 -13.812 61 HD2 LYS 8 HD2 LYS 8 8.791 -3.080 -12.174 62 HD3 LYS 8 HD3 LYS 8 9.286 -4.276 -10.974 63 HE2 LYS 8 HE2 LYS 8 10.645 -3.809 -13.626 64 HE3 LYS 8 HE3 LYS 8 11.199 -3.170 -12.079 65 HZ1 LYS 8 HZ1 LYS 8 10.972 -5.776 -11.526 66 HZ2 LYS 8 HZ2 LYS 8 12.405 -5.043 -12.043 67 HZ3 LYS 8 HZ3 LYS 8 11.418 -5.847 -13.157 68 H GLN 9 H GLN 9 4.402 -7.484 -12.976 69 HA GLN 9 HA GLN 9 6.278 -9.625 -13.697 70 HB2 GLN 9 HB2 GLN 9 5.829 -10.877 -11.755 71 HB3 GLN 9 HB3 GLN 9 6.104 -9.237 -11.181 72 HG2 GLN 9 HG2 GLN 9 3.474 -9.101 -11.446 73 HG3 GLN 9 HG3 GLN 9 3.616 -10.844 -11.224 74 HE21 GLN 9 HE21 GLN 9 2.609 -10.824 -9.235 75 HE22 GLN 9 HE22 GLN 9 3.355 -10.177 -7.818 76 H ALA 10 H ALA 10 2.989 -8.499 -13.344 77 HA ALA 10 HA ALA 10 1.465 -10.683 -13.919 78 HB1 ALA 10 HB1 ALA 10 0.054 -8.978 -15.310 79 HB2 ALA 10 HB2 ALA 10 0.225 -8.780 -13.565 80 HB3 ALA 10 HB3 ALA 10 1.204 -7.807 -14.663 81 H TRP 11 H TRP 11 3.459 -8.840 -16.154 82 HA TRP 11 HA TRP 11 2.608 -10.539 -18.379 83 HB2 TRP 11 HB2 TRP 11 4.332 -8.056 -18.306 84 HB3 TRP 11 HB3 TRP 11 3.960 -8.964 -19.768 85 HD1 TRP 11 HD1 TRP 11 2.954 -5.906 -18.356 86 HE1 TRP 11 HE1 TRP 11 0.512 -5.289 -18.888 87 HE3 TRP 11 HE3 TRP 11 1.257 -10.500 -19.821 88 HZ2 TRP 11 HZ2 TRP 11 -1.824 -6.580 -19.806 89 HZ3 TRP 11 HZ3 TRP 11 -1.095 -10.724 -20.511 90 HH2 TRP 11 HH2 TRP 11 -2.602 -8.803 -20.502 91 H PHE 12 H PHE 12 5.271 -9.992 -16.233 92 HA PHE 12 HA PHE 12 6.897 -11.917 -17.757 93 HB2 PHE 12 HB2 PHE 12 8.141 -10.267 -15.619 94 HB3 PHE 12 HB3 PHE 12 8.811 -10.809 -17.154 95 HD1 PHE 12 HD1 PHE 12 8.861 -9.390 -19.006 96 HD2 PHE 12 HD2 PHE 12 6.453 -8.383 -15.644 97 HE1 PHE 12 HE1 PHE 12 8.448 -7.165 -19.973 98 HE2 PHE 12 HE2 PHE 12 6.035 -6.157 -16.606 99 HZ PHE 12 HZ PHE 12 7.032 -5.546 -18.773 100 H ILE 13 H ILE 13 6.670 -13.891 -16.936 101 HA ILE 13 HA ILE 13 6.900 -14.217 -14.023 102 HB ILE 13 HB ILE 13 5.329 -16.357 -14.846 103 HG12 ILE 13 HG12 ILE 13 4.257 -13.779 -16.016 104 HG13 ILE 13 HG13 ILE 13 4.832 -15.162 -16.942 105 HG21 ILE 13 HG21 ILE 13 3.587 -15.260 -13.474 106 HG22 ILE 13 HG22 ILE 13 5.172 -15.266 -12.704 107 HG23 ILE 13 HG23 ILE 13 4.565 -13.793 -13.458 108 HD11 ILE 13 HD11 ILE 13 2.286 -14.751 -15.527 109 HD12 ILE 13 HD12 ILE 13 2.642 -15.656 -16.999 110 HD13 ILE 13 HD13 ILE 13 2.982 -16.368 -15.422 111 H GLU 14 H GLU 14 8.394 -15.651 -13.428 112 HA GLU 14 HA GLU 14 10.141 -16.858 -15.231 113 HB2 GLU 14 HB2 GLU 14 9.589 -17.191 -12.316 114 HB3 GLU 14 HB3 GLU 14 10.618 -18.371 -13.115 115 HG2 GLU 14 HG2 GLU 14 12.213 -16.735 -13.698 116 HG3 GLU 14 HG3 GLU 14 11.119 -15.417 -13.280 117 H ASN 15 H ASN 15 9.912 -18.548 -16.525 118 HA ASN 15 HA ASN 15 7.816 -20.518 -15.910 119 HB2 ASN 15 HB2 ASN 15 8.064 -21.087 -18.391 120 HB3 ASN 15 HB3 ASN 15 7.331 -19.534 -18.005 121 HD21 ASN 15 HD21 ASN 15 9.699 -21.105 -19.762 122 HD22 ASN 15 HD22 ASN 15 10.615 -19.726 -20.258 123 H GLU 16 H GLU 16 10.259 -20.737 -14.586 124 HA GLU 16 HA GLU 16 11.925 -22.640 -15.973 125 HB2 GLU 16 HB2 GLU 16 11.941 -21.571 -13.151 126 HB3 GLU 16 HB3 GLU 16 13.083 -22.779 -13.723 127 HG2 GLU 16 HG2 GLU 16 12.767 -20.178 -15.162 128 HG3 GLU 16 HG3 GLU 16 13.773 -20.300 -13.720 129 H GLU 17 H GLU 17 9.519 -22.701 -13.390 130 HA GLU 17 HA GLU 17 9.724 -25.624 -13.268 131 HB2 GLU 17 HB2 GLU 17 8.507 -23.570 -11.437 132 HB3 GLU 17 HB3 GLU 17 8.119 -25.278 -11.286 133 HG2 GLU 17 HG2 GLU 17 10.959 -24.337 -11.286 134 HG3 GLU 17 HG3 GLU 17 9.982 -24.298 -9.819 135 H GLN 18 H GLN 18 8.550 -24.378 -15.557 136 HA GLN 18 HA GLN 18 5.692 -24.515 -15.322 137 HB2 GLN 18 HB2 GLN 18 7.552 -23.526 -17.213 138 HB3 GLN 18 HB3 GLN 18 6.572 -24.728 -18.043 139 HG2 GLN 18 HG2 GLN 18 4.561 -23.497 -17.049 140 HG3 GLN 18 HG3 GLN 18 5.699 -22.194 -16.710 141 HE21 GLN 18 HE21 GLN 18 3.614 -21.671 -18.319 142 HE22 GLN 18 HE22 GLN 18 4.132 -21.497 -19.957 143 H GLU 19 H GLU 19 4.410 -25.953 -16.799 144 HA GLU 19 HA GLU 19 5.395 -28.690 -16.510 145 HB2 GLU 19 HB2 GLU 19 3.160 -28.082 -15.603 146 HB3 GLU 19 HB3 GLU 19 2.626 -27.719 -17.238 147 HG2 GLU 19 HG2 GLU 19 1.821 -29.843 -16.949 148 HG3 GLU 19 HG3 GLU 19 3.365 -30.156 -17.740 149 H TYR 20 H TYR 20 6.206 -29.752 -18.182 150 HA TYR 20 HA TYR 20 5.075 -29.551 -20.812 151 HB2 TYR 20 HB2 TYR 20 7.555 -28.091 -20.123 152 HB3 TYR 20 HB3 TYR 20 7.607 -29.031 -21.610 153 HD1 TYR 20 HD1 TYR 20 5.283 -28.721 -23.031 154 HD2 TYR 20 HD2 TYR 20 7.029 -25.871 -20.398 155 HE1 TYR 20 HE1 TYR 20 4.110 -26.914 -24.219 156 HE2 TYR 20 HE2 TYR 20 5.861 -24.057 -21.578 157 HH TYR 20 HH TYR 20 4.695 -23.527 -23.446 158 H VAL 21 H VAL 21 5.438 -31.369 -21.969 159 HA VAL 21 HA VAL 21 6.875 -33.515 -20.659 160 HB VAL 21 HB VAL 21 5.980 -34.946 -22.437 161 HG11 VAL 21 HG11 VAL 21 3.852 -33.122 -21.325 162 HG12 VAL 21 HG12 VAL 21 3.652 -34.799 -21.837 163 HG13 VAL 21 HG13 VAL 21 4.636 -34.418 -20.423 164 HG21 VAL 21 HG21 VAL 21 6.055 -33.430 -24.307 165 HG22 VAL 21 HG22 VAL 21 4.395 -33.981 -24.084 166 HG23 VAL 21 HG23 VAL 21 4.869 -32.370 -23.545 167 H GLN 22 H GLN 22 8.574 -34.707 -21.569 168 HA GLN 22 HA GLN 22 10.412 -33.147 -23.125 169 HB2 GLN 22 HB2 GLN 22 11.976 -34.927 -22.762 170 HB3 GLN 22 HB3 GLN 22 11.098 -34.665 -21.261 171 HG2 GLN 22 HG2 GLN 22 9.569 -36.568 -22.088 172 HG3 GLN 22 HG3 GLN 22 10.893 -36.936 -23.192 173 HE21 GLN 22 HE21 GLN 22 11.574 -38.820 -22.336 174 HE22 GLN 22 HE22 GLN 22 12.211 -38.991 -20.739 175 H THR 23 H THR 23 10.914 -33.314 -25.236 176 HA THR 23 HA THR 23 9.214 -35.015 -26.882 177 HB THR 23 HB THR 23 9.372 -32.702 -27.570 178 HG1 THR 23 HG1 THR 23 10.058 -33.074 -29.729 179 HG21 THR 23 HG21 THR 23 11.252 -31.508 -27.451 180 HG22 THR 23 HG22 THR 23 12.092 -32.637 -28.514 181 HG23 THR 23 HG23 THR 23 12.051 -32.926 -26.775 182 H VAL 24 H VAL 24 9.969 -36.533 -28.343 183 HA VAL 24 HA VAL 24 12.789 -37.326 -28.004 184 HB VAL 24 HB VAL 24 11.249 -38.955 -27.002 185 HG11 VAL 24 HG11 VAL 24 9.537 -40.024 -28.140 186 HG12 VAL 24 HG12 VAL 24 9.422 -38.370 -28.744 187 HG13 VAL 24 HG13 VAL 24 10.197 -39.616 -29.724 188 HG21 VAL 24 HG21 VAL 24 12.053 -40.953 -28.231 189 HG22 VAL 24 HG22 VAL 24 12.637 -39.890 -29.512 190 HG23 VAL 24 HG23 VAL 24 13.329 -39.783 -27.893 191 H LYS 25 H LYS 25 14.004 -37.557 -29.786 192 HA LYS 25 HA LYS 25 12.648 -37.381 -32.397 193 HB2 LYS 25 HB2 LYS 25 15.342 -36.283 -31.576 194 HB3 LYS 25 HB3 LYS 25 14.722 -36.273 -33.221 195 HG2 LYS 25 HG2 LYS 25 12.977 -34.770 -32.643 196 HG3 LYS 25 HG3 LYS 25 13.317 -34.942 -30.920 197 HD2 LYS 25 HD2 LYS 25 14.382 -32.960 -31.337 198 HD3 LYS 25 HD3 LYS 25 15.702 -34.087 -31.659 199 HE2 LYS 25 HE2 LYS 25 15.467 -33.876 -33.978 200 HE3 LYS 25 HE3 LYS 25 13.853 -33.179 -33.840 201 HZ1 LYS 25 HZ1 LYS 25 14.674 -31.132 -33.496 202 HZ2 LYS 25 HZ2 LYS 25 16.058 -31.743 -34.253 203 HZ3 LYS 25 HZ3 LYS 25 15.978 -31.674 -32.564 Start of MODEL 11 1 H1 ALA 1 H ALA 1 -0.936 1.337 -0.826 2 HA ALA 1 HA ALA 1 -1.393 2.471 -3.280 3 HB1 ALA 1 HB1 ALA 1 1.032 0.912 -3.372 4 HB2 ALA 1 HB2 ALA 1 0.821 2.662 -3.298 5 HB3 ALA 1 HB3 ALA 1 0.850 1.713 -1.811 6 H MET 2 H MET 2 -0.407 1.431 -5.402 7 HA MET 2 HA MET 2 -1.846 -1.105 -5.808 8 HB2 MET 2 HB2 MET 2 -1.103 0.908 -7.932 9 HB3 MET 2 HB3 MET 2 -2.194 -0.463 -8.092 10 HG2 MET 2 HG2 MET 2 -3.454 0.822 -6.135 11 HG3 MET 2 HG3 MET 2 -2.648 2.197 -6.885 12 HE1 MET 2 HE1 MET 2 -6.439 0.453 -7.699 13 HE2 MET 2 HE2 MET 2 -5.422 -0.851 -8.313 14 HE3 MET 2 HE3 MET 2 -5.172 -0.231 -6.680 15 H VAL 3 H VAL 3 -0.531 -2.797 -5.897 16 HA VAL 3 HA VAL 3 2.231 -2.464 -6.772 17 HB VAL 3 HB VAL 3 2.599 -4.724 -5.960 18 HG11 VAL 3 HG11 VAL 3 2.663 -2.850 -4.363 19 HG12 VAL 3 HG12 VAL 3 0.965 -3.140 -3.980 20 HG13 VAL 3 HG13 VAL 3 2.177 -4.365 -3.603 21 HG21 VAL 3 HG21 VAL 3 -0.386 -4.753 -5.741 22 HG22 VAL 3 HG22 VAL 3 0.691 -5.947 -6.465 23 HG23 VAL 3 HG23 VAL 3 0.599 -5.791 -4.711 24 H SER 4 H SER 4 3.175 -3.687 -8.432 25 HA SER 4 HA SER 4 1.272 -4.927 -10.310 26 HB2 SER 4 HB2 SER 4 3.049 -4.097 -12.064 27 HB3 SER 4 HB3 SER 4 1.809 -2.993 -11.471 28 HG SER 4 HG SER 4 4.448 -2.747 -11.300 29 H GLU 5 H GLU 5 2.435 -6.525 -8.493 30 HA GLU 5 HA GLU 5 4.962 -7.567 -9.224 31 HB2 GLU 5 HB2 GLU 5 4.418 -9.432 -7.753 32 HB3 GLU 5 HB3 GLU 5 3.977 -7.906 -7.000 33 HG2 GLU 5 HG2 GLU 5 1.633 -8.296 -7.743 34 HG3 GLU 5 HG3 GLU 5 2.130 -9.895 -8.293 35 H PHE 6 H PHE 6 1.683 -8.278 -10.230 36 HA PHE 6 HA PHE 6 2.495 -10.613 -11.746 37 HB2 PHE 6 HB2 PHE 6 0.132 -10.786 -12.357 38 HB3 PHE 6 HB3 PHE 6 0.309 -10.588 -10.617 39 HD1 PHE 6 HD1 PHE 6 -0.467 -8.609 -9.504 40 HD2 PHE 6 HD2 PHE 6 -0.766 -8.991 -13.733 41 HE1 PHE 6 HE1 PHE 6 -2.002 -6.687 -9.566 42 HE2 PHE 6 HE2 PHE 6 -2.300 -7.069 -13.801 43 HZ PHE 6 HZ PHE 6 -2.920 -5.913 -11.716 44 H LEU 7 H LEU 7 1.773 -7.242 -12.285 45 HA LEU 7 HA LEU 7 1.645 -7.483 -15.151 46 HB2 LEU 7 HB2 LEU 7 0.459 -5.739 -13.771 47 HB3 LEU 7 HB3 LEU 7 2.028 -4.974 -13.533 48 HG LEU 7 HG LEU 7 0.488 -4.018 -15.336 49 HD11 LEU 7 HD11 LEU 7 3.299 -4.307 -15.168 50 HD12 LEU 7 HD12 LEU 7 2.371 -3.018 -15.933 51 HD13 LEU 7 HD13 LEU 7 2.845 -4.436 -16.868 52 HD21 LEU 7 HD21 LEU 7 0.247 -5.100 -17.365 53 HD22 LEU 7 HD22 LEU 7 0.072 -6.424 -16.213 54 HD23 LEU 7 HD23 LEU 7 1.600 -6.191 -17.064 55 H LYS 8 H LYS 8 4.091 -6.933 -12.764 56 HA LYS 8 HA LYS 8 6.029 -5.759 -14.496 57 HB2 LYS 8 HB2 LYS 8 6.075 -5.533 -12.024 58 HB3 LYS 8 HB3 LYS 8 6.458 -7.245 -11.898 59 HG2 LYS 8 HG2 LYS 8 8.587 -6.957 -12.812 60 HG3 LYS 8 HG3 LYS 8 8.186 -5.369 -13.470 61 HD2 LYS 8 HD2 LYS 8 7.814 -4.742 -10.963 62 HD3 LYS 8 HD3 LYS 8 8.827 -6.155 -10.658 63 HE2 LYS 8 HE2 LYS 8 10.434 -4.533 -10.776 64 HE3 LYS 8 HE3 LYS 8 10.366 -5.018 -12.469 65 HZ1 LYS 8 HZ1 LYS 8 9.971 -2.485 -11.430 66 HZ2 LYS 8 HZ2 LYS 8 8.450 -3.004 -11.956 67 HZ3 LYS 8 HZ3 LYS 8 9.754 -2.981 -13.033 68 H GLN 9 H GLN 9 4.715 -8.774 -14.497 69 HA GLN 9 HA GLN 9 7.075 -9.891 -15.841 70 HB2 GLN 9 HB2 GLN 9 6.889 -11.975 -14.764 71 HB3 GLN 9 HB3 GLN 9 6.732 -10.790 -13.475 72 HG2 GLN 9 HG2 GLN 9 4.176 -11.058 -13.942 73 HG3 GLN 9 HG3 GLN 9 4.677 -12.590 -14.656 74 HE21 GLN 9 HE21 GLN 9 6.275 -13.824 -13.208 75 HE22 GLN 9 HE22 GLN 9 5.838 -13.930 -11.540 76 H ALA 10 H ALA 10 3.603 -9.750 -15.483 77 HA ALA 10 HA ALA 10 2.671 -11.652 -17.196 78 HB1 ALA 10 HB1 ALA 10 1.007 -10.424 -16.180 79 HB2 ALA 10 HB2 ALA 10 1.744 -8.877 -16.600 80 HB3 ALA 10 HB3 ALA 10 0.923 -9.828 -17.838 81 H TRP 11 H TRP 11 4.227 -8.614 -18.042 82 HA TRP 11 HA TRP 11 3.882 -9.183 -20.892 83 HB2 TRP 11 HB2 TRP 11 4.950 -6.745 -19.455 84 HB3 TRP 11 HB3 TRP 11 4.854 -6.903 -21.207 85 HD1 TRP 11 HD1 TRP 11 3.094 -5.153 -18.717 86 HE1 TRP 11 HE1 TRP 11 0.593 -4.858 -19.250 87 HE3 TRP 11 HE3 TRP 11 2.607 -8.734 -22.334 88 HZ2 TRP 11 HZ2 TRP 11 -1.331 -5.993 -20.975 89 HZ3 TRP 11 HZ3 TRP 11 0.402 -9.066 -23.375 90 HH2 TRP 11 HH2 TRP 11 -1.525 -7.724 -22.708 91 H PHE 12 H PHE 12 6.266 -9.201 -18.379 92 HA PHE 12 HA PHE 12 8.357 -9.803 -20.364 93 HB2 PHE 12 HB2 PHE 12 9.096 -9.158 -17.556 94 HB3 PHE 12 HB3 PHE 12 9.925 -8.760 -19.057 95 HD1 PHE 12 HD1 PHE 12 7.004 -7.867 -16.961 96 HD2 PHE 12 HD2 PHE 12 9.686 -6.654 -20.035 97 HE1 PHE 12 HE1 PHE 12 6.090 -5.585 -16.854 98 HE2 PHE 12 HE2 PHE 12 8.777 -4.370 -19.933 99 HZ PHE 12 HZ PHE 12 6.977 -3.833 -18.340 100 H ILE 13 H ILE 13 8.589 -11.929 -20.574 101 HA ILE 13 HA ILE 13 8.802 -13.549 -18.129 102 HB ILE 13 HB ILE 13 7.822 -15.303 -20.049 103 HG12 ILE 13 HG12 ILE 13 6.194 -12.752 -20.057 104 HG13 ILE 13 HG13 ILE 13 7.115 -13.381 -21.418 105 HG21 ILE 13 HG21 ILE 13 7.339 -15.420 -17.692 106 HG22 ILE 13 HG22 ILE 13 6.420 -13.918 -17.770 107 HG23 ILE 13 HG23 ILE 13 5.823 -15.360 -18.591 108 HD11 ILE 13 HD11 ILE 13 4.960 -14.042 -21.900 109 HD12 ILE 13 HD12 ILE 13 5.636 -15.479 -21.133 110 HD13 ILE 13 HD13 ILE 13 4.583 -14.402 -20.215 111 H GLU 14 H GLU 14 10.692 -14.550 -18.030 112 HA GLU 14 HA GLU 14 12.429 -14.652 -20.325 113 HB2 GLU 14 HB2 GLU 14 12.687 -15.309 -17.422 114 HB3 GLU 14 HB3 GLU 14 13.860 -15.979 -18.547 115 HG2 GLU 14 HG2 GLU 14 13.258 -13.064 -18.109 116 HG3 GLU 14 HG3 GLU 14 14.700 -13.935 -17.588 117 H ASN 15 H ASN 15 12.282 -16.194 -21.804 118 HA ASN 15 HA ASN 15 10.830 -18.582 -21.489 119 HB2 ASN 15 HB2 ASN 15 12.874 -17.715 -23.534 120 HB3 ASN 15 HB3 ASN 15 12.023 -19.254 -23.634 121 HD21 ASN 15 HD21 ASN 15 12.048 -16.389 -24.971 122 HD22 ASN 15 HD22 ASN 15 10.367 -16.129 -25.269 123 H GLU 16 H GLU 16 14.311 -17.918 -21.378 124 HA GLU 16 HA GLU 16 15.185 -20.565 -21.093 125 HB2 GLU 16 HB2 GLU 16 16.542 -18.407 -21.526 126 HB3 GLU 16 HB3 GLU 16 16.566 -18.244 -19.775 127 HG2 GLU 16 HG2 GLU 16 17.645 -20.426 -19.585 128 HG3 GLU 16 HG3 GLU 16 17.621 -20.589 -21.340 129 H GLU 17 H GLU 17 14.099 -18.201 -18.717 130 HA GLU 17 HA GLU 17 14.543 -20.125 -16.557 131 HB2 GLU 17 HB2 GLU 17 13.927 -17.181 -16.611 132 HB3 GLU 17 HB3 GLU 17 13.759 -18.124 -15.136 133 HG2 GLU 17 HG2 GLU 17 15.882 -17.197 -14.980 134 HG3 GLU 17 HG3 GLU 17 16.175 -18.844 -15.533 135 H GLN 18 H GLN 18 12.501 -20.659 -18.484 136 HA GLN 18 HA GLN 18 10.012 -20.114 -17.045 137 HB2 GLN 18 HB2 GLN 18 10.044 -19.678 -19.463 138 HB3 GLN 18 HB3 GLN 18 10.463 -21.360 -19.762 139 HG2 GLN 18 HG2 GLN 18 8.223 -21.439 -20.132 140 HG3 GLN 18 HG3 GLN 18 8.257 -21.808 -18.409 141 HE21 GLN 18 HE21 GLN 18 6.946 -20.678 -17.173 142 HE22 GLN 18 HE22 GLN 18 6.259 -19.140 -17.555 143 H GLU 19 H GLU 19 8.916 -21.633 -15.950 144 HA GLU 19 HA GLU 19 10.158 -24.238 -15.635 145 HB2 GLU 19 HB2 GLU 19 9.334 -22.858 -13.693 146 HB3 GLU 19 HB3 GLU 19 7.696 -23.170 -14.251 147 HG2 GLU 19 HG2 GLU 19 7.903 -24.816 -12.700 148 HG3 GLU 19 HG3 GLU 19 8.480 -25.674 -14.127 149 H TYR 20 H TYR 20 9.556 -25.966 -16.745 150 HA TYR 20 HA TYR 20 6.802 -26.527 -17.321 151 HB2 TYR 20 HB2 TYR 20 8.614 -25.482 -19.435 152 HB3 TYR 20 HB3 TYR 20 7.552 -26.815 -19.871 153 HD1 TYR 20 HD1 TYR 20 7.796 -23.467 -20.185 154 HD2 TYR 20 HD2 TYR 20 5.058 -26.339 -18.650 155 HE1 TYR 20 HE1 TYR 20 5.949 -21.877 -20.521 156 HE2 TYR 20 HE2 TYR 20 3.203 -24.758 -18.983 157 HH TYR 20 HH TYR 20 3.631 -21.509 -19.512 158 H VAL 21 H VAL 21 6.447 -28.678 -17.742 159 HA VAL 21 HA VAL 21 8.622 -30.463 -17.140 160 HB VAL 21 HB VAL 21 6.958 -32.246 -17.252 161 HG11 VAL 21 HG11 VAL 21 6.337 -29.763 -15.711 162 HG12 VAL 21 HG12 VAL 21 5.265 -31.160 -15.598 163 HG13 VAL 21 HG13 VAL 21 6.962 -31.310 -15.142 164 HG21 VAL 21 HG21 VAL 21 5.283 -30.094 -18.482 165 HG22 VAL 21 HG22 VAL 21 5.536 -31.756 -19.015 166 HG23 VAL 21 HG23 VAL 21 4.523 -31.426 -17.610 167 H GLN 22 H GLN 22 9.439 -32.109 -18.459 168 HA GLN 22 HA GLN 22 9.337 -31.495 -21.307 169 HB2 GLN 22 HB2 GLN 22 11.187 -33.076 -19.559 170 HB3 GLN 22 HB3 GLN 22 11.179 -33.350 -21.296 171 HG2 GLN 22 HG2 GLN 22 12.875 -31.799 -20.982 172 HG3 GLN 22 HG3 GLN 22 11.504 -30.824 -21.510 173 HE21 GLN 22 HE21 GLN 22 10.991 -29.123 -20.328 174 HE22 GLN 22 HE22 GLN 22 11.517 -28.818 -18.711 175 H THR 23 H THR 23 8.518 -32.818 -22.844 176 HA THR 23 HA THR 23 7.239 -35.304 -21.911 177 HB THR 23 HB THR 23 5.625 -33.587 -22.644 178 HG1 THR 23 HG1 THR 23 5.417 -35.975 -23.086 179 HG21 THR 23 HG21 THR 23 5.870 -32.382 -24.510 180 HG22 THR 23 HG22 THR 23 6.144 -33.825 -25.486 181 HG23 THR 23 HG23 THR 23 7.490 -33.066 -24.637 182 H VAL 24 H VAL 24 7.699 -37.177 -22.921 183 HA VAL 24 HA VAL 24 9.295 -37.060 -25.394 184 HB VAL 24 HB VAL 24 9.735 -39.003 -23.122 185 HG11 VAL 24 HG11 VAL 24 11.035 -38.648 -25.808 186 HG12 VAL 24 HG12 VAL 24 11.831 -39.494 -24.479 187 HG13 VAL 24 HG13 VAL 24 10.304 -40.100 -25.124 188 HG21 VAL 24 HG21 VAL 24 10.626 -37.029 -22.303 189 HG22 VAL 24 HG22 VAL 24 12.012 -37.756 -23.114 190 HG23 VAL 24 HG23 VAL 24 11.109 -36.462 -23.901 191 H LYS 25 H LYS 25 7.430 -37.498 -26.620 192 HA LYS 25 HA LYS 25 6.542 -40.296 -26.454 193 HB2 LYS 25 HB2 LYS 25 4.885 -38.419 -25.634 194 HB3 LYS 25 HB3 LYS 25 4.629 -38.183 -27.357 195 HG2 LYS 25 HG2 LYS 25 4.430 -40.927 -26.209 196 HG3 LYS 25 HG3 LYS 25 3.094 -39.791 -26.005 197 HD2 LYS 25 HD2 LYS 25 4.270 -40.154 -28.720 198 HD3 LYS 25 HD3 LYS 25 3.203 -41.407 -28.082 199 HE2 LYS 25 HE2 LYS 25 1.657 -40.076 -29.102 200 HE3 LYS 25 HE3 LYS 25 1.685 -39.321 -27.510 201 HZ1 LYS 25 HZ1 LYS 25 3.646 -38.271 -29.341 202 HZ2 LYS 25 HZ2 LYS 25 2.562 -37.455 -28.332 203 HZ3 LYS 25 HZ3 LYS 25 2.049 -38.021 -29.841 Start of MODEL 12 1 H1 ALA 1 H ALA 1 -2.177 5.794 -4.623 2 HA ALA 1 HA ALA 1 -0.999 6.807 -7.034 3 HB1 ALA 1 HB1 ALA 1 1.004 5.065 -5.939 4 HB2 ALA 1 HB2 ALA 1 1.166 6.709 -6.556 5 HB3 ALA 1 HB3 ALA 1 0.736 6.440 -4.867 6 H MET 2 H MET 2 -0.287 5.017 -8.482 7 HA MET 2 HA MET 2 -1.854 2.583 -7.934 8 HB2 MET 2 HB2 MET 2 -1.872 2.376 -10.482 9 HB3 MET 2 HB3 MET 2 -2.873 3.636 -9.774 10 HG2 MET 2 HG2 MET 2 -1.174 5.298 -10.300 11 HG3 MET 2 HG3 MET 2 -0.147 4.040 -10.983 12 HE1 MET 2 HE1 MET 2 -0.539 2.699 -12.782 13 HE2 MET 2 HE2 MET 2 -2.199 2.349 -13.262 14 HE3 MET 2 HE3 MET 2 -1.173 3.344 -14.296 15 H VAL 3 H VAL 3 -0.589 0.927 -7.424 16 HA VAL 3 HA VAL 3 2.156 0.818 -8.392 17 HB VAL 3 HB VAL 3 2.436 -1.070 -6.866 18 HG11 VAL 3 HG11 VAL 3 1.350 1.527 -5.934 19 HG12 VAL 3 HG12 VAL 3 1.556 0.251 -4.732 20 HG13 VAL 3 HG13 VAL 3 2.938 0.804 -5.679 21 HG21 VAL 3 HG21 VAL 3 -0.505 -0.698 -6.308 22 HG22 VAL 3 HG22 VAL 3 0.261 -2.102 -7.051 23 HG23 VAL 3 HG23 VAL 3 0.579 -1.716 -5.360 24 H SER 4 H SER 4 3.012 -0.862 -9.610 25 HA SER 4 HA SER 4 1.031 -2.603 -10.927 26 HB2 SER 4 HB2 SER 4 2.835 -2.521 -12.842 27 HB3 SER 4 HB3 SER 4 1.663 -1.214 -12.672 28 HG SER 4 HG SER 4 3.950 -0.599 -12.905 29 H GLU 5 H GLU 5 2.119 -3.553 -8.665 30 HA GLU 5 HA GLU 5 4.577 -4.920 -8.974 31 HB2 GLU 5 HB2 GLU 5 3.938 -6.146 -6.963 32 HB3 GLU 5 HB3 GLU 5 3.605 -4.430 -6.776 33 HG2 GLU 5 HG2 GLU 5 1.218 -5.122 -7.607 34 HG3 GLU 5 HG3 GLU 5 1.716 -6.713 -7.033 35 H PHE 6 H PHE 6 1.255 -5.745 -9.713 36 HA PHE 6 HA PHE 6 1.920 -8.498 -10.335 37 HB2 PHE 6 HB2 PHE 6 -0.437 -8.776 -10.811 38 HB3 PHE 6 HB3 PHE 6 -0.261 -7.890 -9.301 39 HD1 PHE 6 HD1 PHE 6 -1.009 -5.635 -9.091 40 HD2 PHE 6 HD2 PHE 6 -1.183 -7.632 -12.846 41 HE1 PHE 6 HE1 PHE 6 -2.452 -3.847 -9.972 42 HE2 PHE 6 HE2 PHE 6 -2.625 -5.847 -13.733 43 HZ PHE 6 HZ PHE 6 -3.261 -3.951 -12.296 44 H LEU 7 H LEU 7 1.387 -5.477 -11.995 45 HA LEU 7 HA LEU 7 1.220 -6.671 -14.610 46 HB2 LEU 7 HB2 LEU 7 0.144 -4.499 -13.918 47 HB3 LEU 7 HB3 LEU 7 1.756 -3.786 -13.938 48 HG LEU 7 HG LEU 7 0.256 -3.417 -15.975 49 HD11 LEU 7 HD11 LEU 7 3.047 -3.788 -15.690 50 HD12 LEU 7 HD12 LEU 7 2.186 -2.787 -16.858 51 HD13 LEU 7 HD13 LEU 7 2.572 -4.462 -17.248 52 HD21 LEU 7 HD21 LEU 7 1.229 -6.107 -16.849 53 HD22 LEU 7 HD22 LEU 7 -0.063 -5.110 -17.519 54 HD23 LEU 7 HD23 LEU 7 -0.301 -5.951 -15.986 55 H LYS 8 H LYS 8 3.713 -5.477 -12.526 56 HA LYS 8 HA LYS 8 5.698 -5.072 -14.533 57 HB2 LYS 8 HB2 LYS 8 5.777 -4.021 -12.284 58 HB3 LYS 8 HB3 LYS 8 6.065 -5.606 -11.579 59 HG2 LYS 8 HG2 LYS 8 8.211 -5.733 -12.401 60 HG3 LYS 8 HG3 LYS 8 7.892 -4.588 -13.707 61 HD2 LYS 8 HD2 LYS 8 7.522 -2.902 -11.745 62 HD3 LYS 8 HD3 LYS 8 8.471 -4.069 -10.821 63 HE2 LYS 8 HE2 LYS 8 9.328 -2.754 -13.397 64 HE3 LYS 8 HE3 LYS 8 9.867 -2.291 -11.784 65 HZ1 LYS 8 HZ1 LYS 8 10.716 -4.486 -13.446 66 HZ2 LYS 8 HZ2 LYS 8 10.405 -4.930 -11.843 67 HZ3 LYS 8 HZ3 LYS 8 11.528 -3.710 -12.180 68 H GLN 9 H GLN 9 4.218 -7.830 -13.522 69 HA GLN 9 HA GLN 9 6.501 -9.466 -14.379 70 HB2 GLN 9 HB2 GLN 9 6.208 -11.046 -12.659 71 HB3 GLN 9 HB3 GLN 9 6.131 -9.485 -11.852 72 HG2 GLN 9 HG2 GLN 9 3.559 -9.752 -12.225 73 HG3 GLN 9 HG3 GLN 9 3.966 -11.461 -12.370 74 HE21 GLN 9 HE21 GLN 9 5.533 -12.196 -10.572 75 HE22 GLN 9 HE22 GLN 9 5.097 -11.711 -8.972 76 H ALA 10 H ALA 10 3.045 -9.020 -14.127 77 HA ALA 10 HA ALA 10 1.994 -11.337 -15.100 78 HB1 ALA 10 HB1 ALA 10 0.352 -9.737 -16.352 79 HB2 ALA 10 HB2 ALA 10 0.402 -9.757 -14.589 80 HB3 ALA 10 HB3 ALA 10 1.228 -8.479 -15.480 81 H TRP 11 H TRP 11 3.708 -8.860 -16.914 82 HA TRP 11 HA TRP 11 3.307 -10.347 -19.402 83 HB2 TRP 11 HB2 TRP 11 4.522 -7.628 -18.871 84 HB3 TRP 11 HB3 TRP 11 4.401 -8.368 -20.465 85 HD1 TRP 11 HD1 TRP 11 2.763 -5.780 -18.740 86 HE1 TRP 11 HE1 TRP 11 0.278 -5.547 -19.369 87 HE3 TRP 11 HE3 TRP 11 2.046 -10.346 -20.925 88 HZ2 TRP 11 HZ2 TRP 11 -1.721 -7.094 -20.624 89 HZ3 TRP 11 HZ3 TRP 11 -0.183 -10.891 -21.814 90 HH2 TRP 11 HH2 TRP 11 -2.026 -9.297 -21.665 91 H PHE 12 H PHE 12 5.709 -9.639 -17.009 92 HA PHE 12 HA PHE 12 7.745 -10.997 -18.648 93 HB2 PHE 12 HB2 PHE 12 8.545 -9.474 -16.222 94 HB3 PHE 12 HB3 PHE 12 9.380 -9.658 -17.761 95 HD1 PHE 12 HD1 PHE 12 9.248 -8.002 -19.400 96 HD2 PHE 12 HD2 PHE 12 6.534 -7.943 -16.122 97 HE1 PHE 12 HE1 PHE 12 8.467 -5.774 -20.092 98 HE2 PHE 12 HE2 PHE 12 5.748 -5.715 -16.808 99 HZ PHE 12 HZ PHE 12 6.714 -4.628 -18.796 100 H ILE 13 H ILE 13 7.857 -13.076 -18.115 101 HA ILE 13 HA ILE 13 8.001 -13.772 -15.263 102 HB ILE 13 HB ILE 13 6.909 -16.020 -16.480 103 HG12 ILE 13 HG12 ILE 13 5.424 -13.537 -17.370 104 HG13 ILE 13 HG13 ILE 13 6.295 -14.643 -18.428 105 HG21 ILE 13 HG21 ILE 13 5.603 -13.867 -14.823 106 HG22 ILE 13 HG22 ILE 13 4.926 -15.469 -15.108 107 HG23 ILE 13 HG23 ILE 13 6.444 -15.298 -14.227 108 HD11 ILE 13 HD11 ILE 13 3.822 -15.228 -16.823 109 HD12 ILE 13 HD12 ILE 13 3.968 -15.124 -18.578 110 HD13 ILE 13 HD13 ILE 13 4.745 -16.445 -17.705 111 H GLU 14 H GLU 14 9.948 -14.585 -14.890 112 HA GLU 14 HA GLU 14 11.674 -15.540 -16.919 113 HB2 GLU 14 HB2 GLU 14 11.754 -15.377 -13.950 114 HB3 GLU 14 HB3 GLU 14 12.870 -16.490 -14.728 115 HG2 GLU 14 HG2 GLU 14 12.676 -13.671 -15.684 116 HG3 GLU 14 HG3 GLU 14 13.599 -14.052 -14.231 117 H ASN 15 H ASN 15 11.283 -17.351 -18.015 118 HA ASN 15 HA ASN 15 10.533 -19.757 -16.489 119 HB2 ASN 15 HB2 ASN 15 9.636 -18.931 -19.257 120 HB3 ASN 15 HB3 ASN 15 9.359 -20.528 -18.569 121 HD21 ASN 15 HD21 ASN 15 7.922 -17.699 -19.165 122 HD22 ASN 15 HD22 ASN 15 6.746 -17.670 -17.899 123 H GLU 16 H GLU 16 13.166 -19.172 -16.777 124 HA GLU 16 HA GLU 16 14.172 -20.617 -19.101 125 HB2 GLU 16 HB2 GLU 16 15.273 -18.519 -18.434 126 HB3 GLU 16 HB3 GLU 16 15.659 -19.221 -16.870 127 HG2 GLU 16 HG2 GLU 16 16.860 -21.043 -18.270 128 HG3 GLU 16 HG3 GLU 16 16.812 -19.833 -19.552 129 H GLU 17 H GLU 17 13.987 -20.912 -15.598 130 HA GLU 17 HA GLU 17 15.116 -23.624 -15.813 131 HB2 GLU 17 HB2 GLU 17 16.128 -21.724 -14.274 132 HB3 GLU 17 HB3 GLU 17 14.846 -22.234 -13.184 133 HG2 GLU 17 HG2 GLU 17 16.775 -23.435 -12.565 134 HG3 GLU 17 HG3 GLU 17 15.727 -24.574 -13.407 135 H GLN 18 H GLN 18 12.395 -23.016 -16.441 136 HA GLN 18 HA GLN 18 10.851 -23.953 -14.155 137 HB2 GLN 18 HB2 GLN 18 9.950 -22.119 -15.513 138 HB3 GLN 18 HB3 GLN 18 9.965 -23.156 -16.934 139 HG2 GLN 18 HG2 GLN 18 7.769 -23.276 -16.292 140 HG3 GLN 18 HG3 GLN 18 8.447 -24.697 -15.501 141 HE21 GLN 18 HE21 GLN 18 6.079 -23.122 -14.834 142 HE22 GLN 18 HE22 GLN 18 6.306 -22.587 -13.208 143 H GLU 19 H GLU 19 10.217 -25.993 -13.874 144 HA GLU 19 HA GLU 19 11.224 -28.109 -15.378 145 HB2 GLU 19 HB2 GLU 19 9.781 -29.544 -14.086 146 HB3 GLU 19 HB3 GLU 19 10.404 -28.278 -13.038 147 HG2 GLU 19 HG2 GLU 19 8.196 -27.057 -13.604 148 HG3 GLU 19 HG3 GLU 19 7.642 -28.653 -14.106 149 H TYR 20 H TYR 20 10.582 -29.146 -17.165 150 HA TYR 20 HA TYR 20 7.853 -29.077 -18.079 151 HB2 TYR 20 HB2 TYR 20 9.960 -27.386 -19.337 152 HB3 TYR 20 HB3 TYR 20 8.815 -28.196 -20.400 153 HD1 TYR 20 HD1 TYR 20 9.423 -25.169 -19.038 154 HD2 TYR 20 HD2 TYR 20 6.276 -28.027 -19.198 155 HE1 TYR 20 HE1 TYR 20 7.786 -23.380 -18.627 156 HE2 TYR 20 HE2 TYR 20 4.630 -26.246 -18.789 157 HH TYR 20 HH TYR 20 5.543 -22.870 -18.764 158 H VAL 21 H VAL 21 7.400 -30.915 -19.113 159 HA VAL 21 HA VAL 21 9.509 -32.817 -19.603 160 HB VAL 21 HB VAL 21 7.719 -34.369 -20.211 161 HG11 VAL 21 HG11 VAL 21 6.714 -34.565 -18.070 162 HG12 VAL 21 HG12 VAL 21 8.319 -33.878 -17.815 163 HG13 VAL 21 HG13 VAL 21 6.894 -32.840 -17.754 164 HG21 VAL 21 HG21 VAL 21 6.227 -31.896 -20.539 165 HG22 VAL 21 HG22 VAL 21 5.914 -33.501 -21.200 166 HG23 VAL 21 HG23 VAL 21 5.358 -33.092 -19.577 167 H GLN 22 H GLN 22 10.401 -33.363 -21.501 168 HA GLN 22 HA GLN 22 9.862 -31.749 -23.810 169 HB2 GLN 22 HB2 GLN 22 12.146 -32.429 -23.268 170 HB3 GLN 22 HB3 GLN 22 11.700 -34.121 -23.447 171 HG2 GLN 22 HG2 GLN 22 11.208 -33.728 -25.817 172 HG3 GLN 22 HG3 GLN 22 11.699 -32.046 -25.627 173 HE21 GLN 22 HE21 GLN 22 13.296 -32.364 -27.220 174 HE22 GLN 22 HE22 GLN 22 14.773 -33.184 -26.855 175 H THR 23 H THR 23 8.522 -32.174 -25.433 176 HA THR 23 HA THR 23 7.219 -34.794 -25.521 177 HB THR 23 HB THR 23 5.598 -33.688 -27.061 178 HG1 THR 23 HG1 THR 23 6.652 -31.985 -27.933 179 HG21 THR 23 HG21 THR 23 6.009 -32.302 -24.408 180 HG22 THR 23 HG22 THR 23 5.139 -33.815 -24.662 181 HG23 THR 23 HG23 THR 23 4.515 -32.313 -25.343 182 H VAL 24 H VAL 24 8.872 -35.980 -26.540 183 HA VAL 24 HA VAL 24 10.138 -35.209 -28.941 184 HB VAL 24 HB VAL 24 11.078 -36.947 -27.517 185 HG11 VAL 24 HG11 VAL 24 8.935 -38.835 -28.434 186 HG12 VAL 24 HG12 VAL 24 10.090 -39.024 -27.113 187 HG13 VAL 24 HG13 VAL 24 8.752 -37.884 -26.961 188 HG21 VAL 24 HG21 VAL 24 11.946 -38.238 -29.212 189 HG22 VAL 24 HG22 VAL 24 10.394 -38.396 -30.035 190 HG23 VAL 24 HG23 VAL 24 11.290 -36.880 -30.126 191 H LYS 25 H LYS 25 7.170 -36.970 -28.268 192 HA LYS 25 HA LYS 25 6.699 -37.295 -31.147 193 HB2 LYS 25 HB2 LYS 25 6.444 -39.165 -29.279 194 HB3 LYS 25 HB3 LYS 25 4.854 -38.435 -29.099 195 HG2 LYS 25 HG2 LYS 25 4.319 -39.972 -30.660 196 HG3 LYS 25 HG3 LYS 25 4.888 -38.709 -31.754 197 HD2 LYS 25 HD2 LYS 25 6.899 -40.614 -30.685 198 HD3 LYS 25 HD3 LYS 25 5.767 -41.215 -31.898 199 HE2 LYS 25 HE2 LYS 25 7.531 -38.785 -32.191 200 HE3 LYS 25 HE3 LYS 25 7.842 -40.368 -32.903 201 HZ1 LYS 25 HZ1 LYS 25 6.128 -38.277 -33.819 202 HZ2 LYS 25 HZ2 LYS 25 5.302 -39.747 -33.695 203 HZ3 LYS 25 HZ3 LYS 25 6.697 -39.639 -34.645 Start of MODEL 13 1 H1 ALA 1 H ALA 1 2.148 -0.288 0.647 2 HA ALA 1 HA ALA 1 1.568 1.751 -1.394 3 HB1 ALA 1 HB1 ALA 1 3.999 0.781 -0.399 4 HB2 ALA 1 HB2 ALA 1 3.846 0.120 -2.027 5 HB3 ALA 1 HB3 ALA 1 3.752 1.862 -1.772 6 H MET 2 H MET 2 2.017 0.824 -3.704 7 HA MET 2 HA MET 2 0.476 -1.675 -3.936 8 HB2 MET 2 HB2 MET 2 0.752 0.430 -6.076 9 HB3 MET 2 HB3 MET 2 -0.411 -0.887 -5.998 10 HG2 MET 2 HG2 MET 2 -1.125 0.333 -3.775 11 HG3 MET 2 HG3 MET 2 -0.392 1.719 -4.579 12 HE1 MET 2 HE1 MET 2 -4.501 1.595 -4.848 13 HE2 MET 2 HE2 MET 2 -3.600 0.600 -3.704 14 HE3 MET 2 HE3 MET 2 -3.195 2.306 -3.899 15 H VAL 3 H VAL 3 1.703 -3.359 -4.442 16 HA VAL 3 HA VAL 3 4.229 -2.981 -5.833 17 HB VAL 3 HB VAL 3 4.641 -5.340 -5.375 18 HG11 VAL 3 HG11 VAL 3 4.353 -3.305 -3.464 19 HG12 VAL 3 HG12 VAL 3 3.716 -4.773 -2.721 20 HG13 VAL 3 HG13 VAL 3 5.360 -4.748 -3.359 21 HG21 VAL 3 HG21 VAL 3 2.992 -6.617 -4.006 22 HG22 VAL 3 HG22 VAL 3 1.826 -5.326 -4.296 23 HG23 VAL 3 HG23 VAL 3 2.451 -6.270 -5.648 24 H SER 4 H SER 4 4.801 -4.104 -7.745 25 HA SER 4 HA SER 4 2.507 -5.001 -9.363 26 HB2 SER 4 HB2 SER 4 4.033 -4.118 -11.317 27 HB3 SER 4 HB3 SER 4 3.016 -2.997 -10.412 28 HG SER 4 HG SER 4 4.904 -2.014 -10.258 29 H GLU 5 H GLU 5 3.806 -6.869 -7.938 30 HA GLU 5 HA GLU 5 6.069 -8.008 -9.198 31 HB2 GLU 5 HB2 GLU 5 5.603 -9.982 -7.840 32 HB3 GLU 5 HB3 GLU 5 5.453 -8.517 -6.880 33 HG2 GLU 5 HG2 GLU 5 2.934 -8.697 -7.468 34 HG3 GLU 5 HG3 GLU 5 3.325 -10.376 -7.838 35 H PHE 6 H PHE 6 2.617 -8.362 -9.674 36 HA PHE 6 HA PHE 6 2.948 -10.572 -11.522 37 HB2 PHE 6 HB2 PHE 6 0.514 -10.517 -11.715 38 HB3 PHE 6 HB3 PHE 6 0.993 -10.496 -10.021 39 HD1 PHE 6 HD1 PHE 6 -0.434 -8.537 -12.769 40 HD2 PHE 6 HD2 PHE 6 0.581 -8.581 -8.636 41 HE1 PHE 6 HE1 PHE 6 -1.786 -6.511 -12.420 42 HE2 PHE 6 HE2 PHE 6 -0.770 -6.556 -8.279 43 HZ PHE 6 HZ PHE 6 -1.956 -5.519 -10.172 44 H LEU 7 H LEU 7 2.453 -7.119 -11.605 45 HA LEU 7 HA LEU 7 1.827 -7.036 -14.414 46 HB2 LEU 7 HB2 LEU 7 1.051 -5.370 -12.691 47 HB3 LEU 7 HB3 LEU 7 2.702 -4.755 -12.656 48 HG LEU 7 HG LEU 7 0.982 -3.494 -14.065 49 HD11 LEU 7 HD11 LEU 7 3.742 -4.007 -14.414 50 HD12 LEU 7 HD12 LEU 7 2.824 -2.577 -14.882 51 HD13 LEU 7 HD13 LEU 7 3.006 -3.916 -16.014 52 HD21 LEU 7 HD21 LEU 7 0.207 -5.749 -15.083 53 HD22 LEU 7 HD22 LEU 7 1.589 -5.541 -16.159 54 HD23 LEU 7 HD23 LEU 7 0.312 -4.324 -16.117 55 H LYS 8 H LYS 8 4.679 -6.927 -12.453 56 HA LYS 8 HA LYS 8 6.396 -5.721 -14.385 57 HB2 LYS 8 HB2 LYS 8 6.875 -5.761 -11.948 58 HB3 LYS 8 HB3 LYS 8 7.119 -7.500 -12.049 59 HG2 LYS 8 HG2 LYS 8 9.091 -7.279 -13.262 60 HG3 LYS 8 HG3 LYS 8 8.719 -5.623 -13.746 61 HD2 LYS 8 HD2 LYS 8 9.046 -6.257 -10.848 62 HD3 LYS 8 HD3 LYS 8 10.482 -6.104 -11.863 63 HE2 LYS 8 HE2 LYS 8 9.430 -3.884 -12.635 64 HE3 LYS 8 HE3 LYS 8 8.399 -4.045 -11.215 65 HZ1 LYS 8 HZ1 LYS 8 11.261 -4.382 -10.795 66 HZ2 LYS 8 HZ2 LYS 8 10.105 -3.631 -9.816 67 HZ3 LYS 8 HZ3 LYS 8 10.735 -2.815 -11.158 68 H GLN 9 H GLN 9 4.833 -8.614 -14.431 69 HA GLN 9 HA GLN 9 6.827 -9.756 -16.260 70 HB2 GLN 9 HB2 GLN 9 6.624 -11.924 -15.364 71 HB3 GLN 9 HB3 GLN 9 6.797 -10.873 -13.965 72 HG2 GLN 9 HG2 GLN 9 4.153 -10.902 -14.081 73 HG3 GLN 9 HG3 GLN 9 4.458 -12.438 -14.890 74 HE21 GLN 9 HE21 GLN 9 3.607 -13.667 -13.242 75 HE22 GLN 9 HE22 GLN 9 4.387 -13.851 -11.712 76 H ALA 10 H ALA 10 3.488 -9.392 -15.297 77 HA ALA 10 HA ALA 10 2.119 -11.026 -16.997 78 HB1 ALA 10 HB1 ALA 10 1.563 -8.289 -15.954 79 HB2 ALA 10 HB2 ALA 10 0.478 -8.988 -17.156 80 HB3 ALA 10 HB3 ALA 10 0.740 -9.813 -15.620 81 H TRP 11 H TRP 11 3.783 -8.034 -17.804 82 HA TRP 11 HA TRP 11 2.921 -8.257 -20.591 83 HB2 TRP 11 HB2 TRP 11 4.436 -6.083 -19.132 84 HB3 TRP 11 HB3 TRP 11 4.041 -6.038 -20.848 85 HD1 TRP 11 HD1 TRP 11 2.883 -4.445 -17.937 86 HE1 TRP 11 HE1 TRP 11 0.368 -3.902 -18.002 87 HE3 TRP 11 HE3 TRP 11 1.479 -7.554 -21.745 88 HZ2 TRP 11 HZ2 TRP 11 -1.910 -4.687 -19.473 89 HZ3 TRP 11 HZ3 TRP 11 -0.887 -7.598 -22.420 90 HH2 TRP 11 HH2 TRP 11 -2.545 -6.194 -21.305 91 H PHE 12 H PHE 12 5.672 -8.746 -18.548 92 HA PHE 12 HA PHE 12 7.338 -9.284 -20.917 93 HB2 PHE 12 HB2 PHE 12 8.599 -9.002 -18.240 94 HB3 PHE 12 HB3 PHE 12 9.192 -8.504 -19.821 95 HD1 PHE 12 HD1 PHE 12 6.755 -7.636 -17.167 96 HD2 PHE 12 HD2 PHE 12 8.995 -6.289 -20.526 97 HE1 PHE 12 HE1 PHE 12 6.084 -5.319 -16.681 98 HE2 PHE 12 HE2 PHE 12 8.329 -3.970 -20.045 99 HZ PHE 12 HZ PHE 12 6.873 -3.483 -18.120 100 H ILE 13 H ILE 13 7.324 -11.389 -21.356 101 HA ILE 13 HA ILE 13 7.802 -13.269 -19.147 102 HB ILE 13 HB ILE 13 6.342 -14.755 -20.962 103 HG12 ILE 13 HG12 ILE 13 4.977 -12.083 -20.569 104 HG13 ILE 13 HG13 ILE 13 5.643 -12.667 -22.089 105 HG21 ILE 13 HG21 ILE 13 6.121 -13.806 -18.249 106 HG22 ILE 13 HG22 ILE 13 4.533 -13.951 -19.000 107 HG23 ILE 13 HG23 ILE 13 5.613 -15.344 -18.946 108 HD11 ILE 13 HD11 ILE 13 3.911 -14.671 -21.178 109 HD12 ILE 13 HD12 ILE 13 3.073 -13.137 -20.939 110 HD13 ILE 13 HD13 ILE 13 3.680 -13.570 -22.537 111 H GLU 14 H GLU 14 9.725 -14.149 -19.505 112 HA GLU 14 HA GLU 14 10.773 -14.389 -22.199 113 HB2 GLU 14 HB2 GLU 14 12.024 -13.733 -19.961 114 HB3 GLU 14 HB3 GLU 14 12.206 -15.476 -19.816 115 HG2 GLU 14 HG2 GLU 14 13.485 -15.621 -21.769 116 HG3 GLU 14 HG3 GLU 14 12.998 -14.016 -22.310 117 H ASN 15 H ASN 15 11.758 -16.419 -22.939 118 HA ASN 15 HA ASN 15 9.961 -18.517 -23.048 119 HB2 ASN 15 HB2 ASN 15 11.944 -19.884 -23.845 120 HB3 ASN 15 HB3 ASN 15 11.650 -18.384 -24.720 121 HD21 ASN 15 HD21 ASN 15 13.122 -16.741 -24.610 122 HD22 ASN 15 HD22 ASN 15 14.675 -16.909 -23.873 123 H GLU 16 H GLU 16 12.616 -17.971 -20.806 124 HA GLU 16 HA GLU 16 12.813 -20.458 -19.612 125 HB2 GLU 16 HB2 GLU 16 13.235 -17.665 -18.620 126 HB3 GLU 16 HB3 GLU 16 13.330 -19.006 -17.487 127 HG2 GLU 16 HG2 GLU 16 14.996 -18.648 -19.967 128 HG3 GLU 16 HG3 GLU 16 15.528 -18.417 -18.303 129 H GLU 17 H GLU 17 10.440 -17.914 -19.086 130 HA GLU 17 HA GLU 17 9.099 -19.563 -17.066 131 HB2 GLU 17 HB2 GLU 17 8.914 -16.657 -17.812 132 HB3 GLU 17 HB3 GLU 17 7.654 -17.429 -16.859 133 HG2 GLU 17 HG2 GLU 17 9.535 -18.157 -15.292 134 HG3 GLU 17 HG3 GLU 17 10.526 -16.973 -16.143 135 H GLN 18 H GLN 18 9.035 -20.352 -19.812 136 HA GLN 18 HA GLN 18 6.296 -19.729 -20.645 137 HB2 GLN 18 HB2 GLN 18 7.979 -19.475 -22.371 138 HB3 GLN 18 HB3 GLN 18 8.555 -21.114 -22.097 139 HG2 GLN 18 HG2 GLN 18 7.197 -20.993 -24.099 140 HG3 GLN 18 HG3 GLN 18 6.429 -22.006 -22.878 141 HE21 GLN 18 HE21 GLN 18 6.436 -18.752 -24.241 142 HE22 GLN 18 HE22 GLN 18 4.764 -18.431 -23.946 143 H GLU 19 H GLU 19 4.732 -21.295 -20.924 144 HA GLU 19 HA GLU 19 4.859 -23.538 -19.199 145 HB2 GLU 19 HB2 GLU 19 2.887 -22.512 -21.198 146 HB3 GLU 19 HB3 GLU 19 2.698 -24.147 -20.579 147 HG2 GLU 19 HG2 GLU 19 2.892 -23.039 -18.255 148 HG3 GLU 19 HG3 GLU 19 2.526 -21.546 -19.119 149 H TYR 20 H TYR 20 5.904 -25.370 -19.555 150 HA TYR 20 HA TYR 20 5.663 -26.737 -22.089 151 HB2 TYR 20 HB2 TYR 20 8.192 -25.435 -21.212 152 HB3 TYR 20 HB3 TYR 20 8.313 -27.030 -21.946 153 HD1 TYR 20 HD1 TYR 20 6.830 -27.259 -24.181 154 HD2 TYR 20 HD2 TYR 20 8.394 -23.624 -22.619 155 HE1 TYR 20 HE1 TYR 20 6.691 -26.245 -26.417 156 HE2 TYR 20 HE2 TYR 20 8.258 -22.599 -24.850 157 HH TYR 20 HH TYR 20 7.283 -24.479 -27.679 158 H VAL 21 H VAL 21 5.571 -28.873 -21.776 159 HA VAL 21 HA VAL 21 6.001 -29.900 -19.094 160 HB VAL 21 HB VAL 21 5.027 -32.004 -19.998 161 HG11 VAL 21 HG11 VAL 21 3.693 -30.080 -19.016 162 HG12 VAL 21 HG12 VAL 21 3.270 -29.662 -20.677 163 HG13 VAL 21 HG13 VAL 21 2.803 -31.229 -20.015 164 HG21 VAL 21 HG21 VAL 21 5.022 -32.366 -22.188 165 HG22 VAL 21 HG22 VAL 21 3.864 -31.051 -22.384 166 HG23 VAL 21 HG23 VAL 21 5.593 -30.725 -22.489 167 H GLN 22 H GLN 22 7.720 -31.031 -18.462 168 HA GLN 22 HA GLN 22 9.905 -31.462 -20.260 169 HB2 GLN 22 HB2 GLN 22 9.928 -30.911 -17.706 170 HB3 GLN 22 HB3 GLN 22 9.773 -32.652 -17.513 171 HG2 GLN 22 HG2 GLN 22 12.040 -32.413 -17.435 172 HG3 GLN 22 HG3 GLN 22 11.803 -32.717 -19.155 173 HE21 GLN 22 HE21 GLN 22 13.561 -31.642 -19.902 174 HE22 GLN 22 HE22 GLN 22 13.780 -29.934 -19.760 175 H THR 23 H THR 23 10.317 -33.200 -21.449 176 HA THR 23 HA THR 23 8.560 -35.412 -21.540 177 HB THR 23 HB THR 23 9.850 -34.673 -23.502 178 HG1 THR 23 HG1 THR 23 9.366 -36.692 -23.957 179 HG21 THR 23 HG21 THR 23 12.181 -34.975 -23.712 180 HG22 THR 23 HG22 THR 23 12.267 -35.956 -22.249 181 HG23 THR 23 HG23 THR 23 11.954 -34.225 -22.133 182 H VAL 24 H VAL 24 8.904 -37.585 -20.985 183 HA VAL 24 HA VAL 24 10.942 -37.997 -18.895 184 HB VAL 24 HB VAL 24 8.695 -38.091 -17.969 185 HG11 VAL 24 HG11 VAL 24 7.545 -38.714 -20.072 186 HG12 VAL 24 HG12 VAL 24 8.169 -40.354 -19.892 187 HG13 VAL 24 HG13 VAL 24 7.053 -39.698 -18.694 188 HG21 VAL 24 HG21 VAL 24 10.515 -39.649 -17.188 189 HG22 VAL 24 HG22 VAL 24 8.867 -40.164 -16.824 190 HG23 VAL 24 HG23 VAL 24 9.747 -40.906 -18.160 191 H LYS 25 H LYS 25 9.314 -39.388 -21.684 192 HA LYS 25 HA LYS 25 10.453 -41.933 -21.667 193 HB2 LYS 25 HB2 LYS 25 9.977 -41.971 -24.086 194 HB3 LYS 25 HB3 LYS 25 8.620 -41.350 -23.155 195 HG2 LYS 25 HG2 LYS 25 8.658 -39.832 -24.847 196 HG3 LYS 25 HG3 LYS 25 9.743 -39.031 -23.709 197 HD2 LYS 25 HD2 LYS 25 11.625 -39.536 -24.941 198 HD3 LYS 25 HD3 LYS 25 10.875 -40.939 -25.706 199 HE2 LYS 25 HE2 LYS 25 9.471 -39.467 -27.049 200 HE3 LYS 25 HE3 LYS 25 10.177 -38.057 -26.262 201 HZ1 LYS 25 HZ1 LYS 25 12.318 -38.636 -27.190 202 HZ2 LYS 25 HZ2 LYS 25 11.176 -38.490 -28.428 203 HZ3 LYS 25 HZ3 LYS 25 11.672 -40.023 -27.912 Start of MODEL 14 1 H1 ALA 1 H ALA 1 4.363 -2.286 2.747 2 HA ALA 1 HA ALA 1 3.972 -0.074 1.032 3 HB1 ALA 1 HB1 ALA 1 6.030 -1.902 1.564 4 HB2 ALA 1 HB2 ALA 1 5.685 -2.044 -0.160 5 HB3 ALA 1 HB3 ALA 1 6.096 -0.474 0.530 6 H MET 2 H MET 2 4.267 -0.630 -1.494 7 HA MET 2 HA MET 2 1.972 -2.345 -2.180 8 HB2 MET 2 HB2 MET 2 1.895 -0.884 -4.278 9 HB3 MET 2 HB3 MET 2 1.379 -0.146 -2.768 10 HG2 MET 2 HG2 MET 2 3.564 0.926 -2.547 11 HG3 MET 2 HG3 MET 2 4.072 0.192 -4.067 12 HE1 MET 2 HE1 MET 2 3.827 3.956 -4.675 13 HE2 MET 2 HE2 MET 2 4.814 2.595 -4.143 14 HE3 MET 2 HE3 MET 2 4.305 2.710 -5.828 15 H VAL 3 H VAL 3 2.587 -4.209 -3.045 16 HA VAL 3 HA VAL 3 5.137 -4.420 -4.432 17 HB VAL 3 HB VAL 3 4.773 -6.817 -4.421 18 HG11 VAL 3 HG11 VAL 3 3.923 -6.505 -1.698 19 HG12 VAL 3 HG12 VAL 3 5.528 -6.878 -2.332 20 HG13 VAL 3 HG13 VAL 3 5.022 -5.199 -2.141 21 HG21 VAL 3 HG21 VAL 3 2.067 -6.182 -3.245 22 HG22 VAL 3 HG22 VAL 3 2.377 -6.846 -4.849 23 HG23 VAL 3 HG23 VAL 3 2.758 -7.797 -3.413 24 H SER 4 H SER 4 5.398 -4.864 -6.573 25 HA SER 4 HA SER 4 2.968 -4.726 -8.229 26 HB2 SER 4 HB2 SER 4 4.783 -4.111 -10.032 27 HB3 SER 4 HB3 SER 4 4.224 -2.892 -8.887 28 HG SER 4 HG SER 4 6.301 -2.717 -8.527 29 H GLU 5 H GLU 5 3.427 -7.183 -7.247 30 HA GLU 5 HA GLU 5 5.149 -8.811 -8.792 31 HB2 GLU 5 HB2 GLU 5 3.893 -10.697 -7.843 32 HB3 GLU 5 HB3 GLU 5 4.333 -9.525 -6.609 33 HG2 GLU 5 HG2 GLU 5 1.948 -8.567 -7.104 34 HG3 GLU 5 HG3 GLU 5 1.657 -10.191 -7.724 35 H PHE 6 H PHE 6 1.832 -7.758 -9.192 36 HA PHE 6 HA PHE 6 1.385 -9.526 -11.446 37 HB2 PHE 6 HB2 PHE 6 -0.848 -8.610 -11.505 38 HB3 PHE 6 HB3 PHE 6 -0.433 -8.967 -9.832 39 HD1 PHE 6 HD1 PHE 6 -1.047 -6.321 -12.281 40 HD2 PHE 6 HD2 PHE 6 -0.134 -7.205 -8.219 41 HE1 PHE 6 HE1 PHE 6 -1.601 -4.007 -11.656 42 HE2 PHE 6 HE2 PHE 6 -0.688 -4.893 -7.588 43 HZ PHE 6 HZ PHE 6 -1.424 -3.290 -9.307 44 H LEU 7 H LEU 7 2.212 -6.191 -10.836 45 HA LEU 7 HA LEU 7 1.765 -5.335 -13.547 46 HB2 LEU 7 HB2 LEU 7 1.603 -3.872 -11.501 47 HB3 LEU 7 HB3 LEU 7 3.362 -3.932 -11.416 48 HG LEU 7 HG LEU 7 2.281 -1.874 -12.481 49 HD11 LEU 7 HD11 LEU 7 4.664 -3.295 -13.039 50 HD12 LEU 7 HD12 LEU 7 4.359 -1.564 -13.180 51 HD13 LEU 7 HD13 LEU 7 4.069 -2.626 -14.558 52 HD21 LEU 7 HD21 LEU 7 1.420 -1.979 -14.625 53 HD22 LEU 7 HD22 LEU 7 0.759 -3.437 -13.885 54 HD23 LEU 7 HD23 LEU 7 2.156 -3.547 -14.957 55 H LYS 8 H LYS 8 4.378 -6.680 -11.718 56 HA LYS 8 HA LYS 8 6.491 -5.844 -13.442 57 HB2 LYS 8 HB2 LYS 8 6.831 -6.542 -11.082 58 HB3 LYS 8 HB3 LYS 8 6.412 -8.189 -11.533 59 HG2 LYS 8 HG2 LYS 8 8.517 -7.094 -13.202 60 HG3 LYS 8 HG3 LYS 8 8.940 -7.094 -11.489 61 HD2 LYS 8 HD2 LYS 8 8.883 -9.378 -11.335 62 HD3 LYS 8 HD3 LYS 8 7.695 -9.543 -12.629 63 HE2 LYS 8 HE2 LYS 8 9.453 -10.224 -13.850 64 HE3 LYS 8 HE3 LYS 8 9.806 -8.502 -13.982 65 HZ1 LYS 8 HZ1 LYS 8 10.876 -10.141 -11.766 66 HZ2 LYS 8 HZ2 LYS 8 11.415 -8.635 -12.314 67 HZ3 LYS 8 HZ3 LYS 8 11.682 -10.019 -13.249 68 H GLN 9 H GLN 9 3.966 -7.878 -13.994 69 HA GLN 9 HA GLN 9 5.457 -9.291 -16.094 70 HB2 GLN 9 HB2 GLN 9 4.433 -11.360 -15.636 71 HB3 GLN 9 HB3 GLN 9 4.936 -10.750 -14.065 72 HG2 GLN 9 HG2 GLN 9 2.476 -9.773 -14.073 73 HG3 GLN 9 HG3 GLN 9 2.217 -11.121 -15.178 74 HE21 GLN 9 HE21 GLN 9 0.898 -12.213 -13.742 75 HE22 GLN 9 HE22 GLN 9 1.509 -12.982 -12.321 76 H ALA 10 H ALA 10 2.460 -7.915 -14.939 77 HA ALA 10 HA ALA 10 0.641 -8.553 -16.864 78 HB1 ALA 10 HB1 ALA 10 1.113 -6.037 -15.325 79 HB2 ALA 10 HB2 ALA 10 -0.151 -6.093 -16.554 80 HB3 ALA 10 HB3 ALA 10 -0.199 -7.208 -15.188 81 H TRP 11 H TRP 11 3.327 -6.300 -17.145 82 HA TRP 11 HA TRP 11 2.540 -5.640 -19.886 83 HB2 TRP 11 HB2 TRP 11 4.701 -4.506 -18.098 84 HB3 TRP 11 HB3 TRP 11 4.406 -3.984 -19.754 85 HD1 TRP 11 HD1 TRP 11 3.824 -2.680 -16.542 86 HE1 TRP 11 HE1 TRP 11 1.690 -1.248 -16.392 87 HE3 TRP 11 HE3 TRP 11 1.495 -4.244 -20.816 88 HZ2 TRP 11 HZ2 TRP 11 -0.668 -0.836 -17.888 89 HZ3 TRP 11 HZ3 TRP 11 -0.697 -3.282 -21.384 90 HH2 TRP 11 HH2 TRP 11 -1.755 -1.614 -19.949 91 H PHE 12 H PHE 12 4.848 -7.491 -18.085 92 HA PHE 12 HA PHE 12 6.282 -8.132 -20.576 93 HB2 PHE 12 HB2 PHE 12 7.450 -8.868 -17.942 94 HB3 PHE 12 HB3 PHE 12 8.249 -8.332 -19.417 95 HD1 PHE 12 HD1 PHE 12 6.216 -7.152 -16.553 96 HD2 PHE 12 HD2 PHE 12 8.909 -6.109 -19.679 97 HE1 PHE 12 HE1 PHE 12 6.437 -4.893 -15.604 98 HE2 PHE 12 HE2 PHE 12 9.136 -3.848 -18.734 99 HZ PHE 12 HZ PHE 12 7.900 -3.238 -16.694 100 H ILE 13 H ILE 13 5.515 -9.953 -21.423 101 HA ILE 13 HA ILE 13 5.167 -12.270 -19.647 102 HB ILE 13 HB ILE 13 3.355 -12.692 -21.712 103 HG12 ILE 13 HG12 ILE 13 3.055 -9.879 -20.635 104 HG13 ILE 13 HG13 ILE 13 3.485 -10.300 -22.290 105 HG21 ILE 13 HG21 ILE 13 3.058 -13.427 -19.437 106 HG22 ILE 13 HG22 ILE 13 2.911 -11.761 -18.880 107 HG23 ILE 13 HG23 ILE 13 1.666 -12.456 -19.918 108 HD11 ILE 13 HD11 ILE 13 1.186 -11.673 -22.026 109 HD12 ILE 13 HD12 ILE 13 0.874 -10.311 -20.950 110 HD13 ILE 13 HD13 ILE 13 1.289 -10.023 -22.640 111 H GLU 14 H GLU 14 6.602 -13.750 -20.232 112 HA GLU 14 HA GLU 14 7.589 -13.833 -22.970 113 HB2 GLU 14 HB2 GLU 14 8.478 -15.016 -20.367 114 HB3 GLU 14 HB3 GLU 14 9.046 -15.719 -21.875 115 HG2 GLU 14 HG2 GLU 14 10.578 -14.040 -20.861 116 HG3 GLU 14 HG3 GLU 14 10.100 -13.694 -22.522 117 H ASN 15 H ASN 15 7.952 -16.055 -23.932 118 HA ASN 15 HA ASN 15 5.484 -17.319 -24.338 119 HB2 ASN 15 HB2 ASN 15 7.586 -17.305 -25.836 120 HB3 ASN 15 HB3 ASN 15 8.123 -18.669 -24.859 121 HD21 ASN 15 HD21 ASN 15 7.254 -18.341 -27.722 122 HD22 ASN 15 HD22 ASN 15 6.075 -19.582 -27.954 123 H GLU 16 H GLU 16 4.499 -18.120 -22.540 124 HA GLU 16 HA GLU 16 5.767 -19.529 -20.466 125 HB2 GLU 16 HB2 GLU 16 3.606 -20.008 -19.643 126 HB3 GLU 16 HB3 GLU 16 3.469 -18.444 -20.433 127 HG2 GLU 16 HG2 GLU 16 2.661 -21.082 -21.635 128 HG3 GLU 16 HG3 GLU 16 1.566 -19.903 -20.916 129 H GLU 17 H GLU 17 4.404 -20.567 -23.520 130 HA GLU 17 HA GLU 17 5.078 -23.354 -22.854 131 HB2 GLU 17 HB2 GLU 17 3.064 -22.143 -24.720 132 HB3 GLU 17 HB3 GLU 17 3.642 -23.782 -24.982 133 HG2 GLU 17 HG2 GLU 17 3.007 -24.035 -22.433 134 HG3 GLU 17 HG3 GLU 17 1.931 -22.693 -22.818 135 H GLN 18 H GLN 18 7.067 -21.448 -23.607 136 HA GLN 18 HA GLN 18 7.761 -21.449 -26.298 137 HB2 GLN 18 HB2 GLN 18 8.847 -20.365 -24.088 138 HB3 GLN 18 HB3 GLN 18 9.974 -21.692 -24.341 139 HG2 GLN 18 HG2 GLN 18 9.301 -20.019 -26.687 140 HG3 GLN 18 HG3 GLN 18 10.305 -19.296 -25.432 141 HE21 GLN 18 HE21 GLN 18 12.098 -20.850 -24.667 142 HE22 GLN 18 HE22 GLN 18 12.994 -21.621 -25.927 143 H GLU 19 H GLU 19 9.545 -22.630 -27.351 144 HA GLU 19 HA GLU 19 9.090 -25.375 -27.414 145 HB2 GLU 19 HB2 GLU 19 10.136 -24.059 -29.242 146 HB3 GLU 19 HB3 GLU 19 11.601 -23.931 -28.280 147 HG2 GLU 19 HG2 GLU 19 11.861 -26.353 -28.337 148 HG3 GLU 19 HG3 GLU 19 10.382 -26.493 -29.285 149 H TYR 20 H TYR 20 9.528 -26.859 -25.937 150 HA TYR 20 HA TYR 20 12.139 -27.090 -24.773 151 HB2 TYR 20 HB2 TYR 20 9.865 -25.996 -23.197 152 HB3 TYR 20 HB3 TYR 20 10.910 -27.166 -22.400 153 HD1 TYR 20 HD1 TYR 20 10.459 -23.752 -23.207 154 HD2 TYR 20 HD2 TYR 20 13.468 -26.681 -22.524 155 HE1 TYR 20 HE1 TYR 20 12.080 -21.966 -22.727 156 HE2 TYR 20 HE2 TYR 20 15.097 -24.903 -22.041 157 HH TYR 20 HH TYR 20 14.571 -22.117 -21.150 158 H VAL 21 H VAL 21 12.563 -29.145 -24.082 159 HA VAL 21 HA VAL 21 10.665 -31.174 -24.827 160 HB VAL 21 HB VAL 21 12.416 -32.774 -24.174 161 HG11 VAL 21 HG11 VAL 21 12.905 -32.357 -26.321 162 HG12 VAL 21 HG12 VAL 21 12.779 -30.609 -26.111 163 HG13 VAL 21 HG13 VAL 21 14.269 -31.447 -25.674 164 HG21 VAL 21 HG21 VAL 21 13.304 -30.660 -22.554 165 HG22 VAL 21 HG22 VAL 21 14.027 -32.259 -22.731 166 HG23 VAL 21 HG23 VAL 21 14.571 -30.927 -23.752 167 H GLN 22 H GLN 22 9.747 -32.744 -23.483 168 HA GLN 22 HA GLN 22 8.922 -31.816 -20.928 169 HB2 GLN 22 HB2 GLN 22 8.431 -34.214 -22.602 170 HB3 GLN 22 HB3 GLN 22 8.158 -34.392 -20.874 171 HG2 GLN 22 HG2 GLN 22 6.977 -32.033 -22.225 172 HG3 GLN 22 HG3 GLN 22 6.254 -33.612 -22.527 173 HE21 GLN 22 HE21 GLN 22 5.475 -31.105 -20.972 174 HE22 GLN 22 HE22 GLN 22 4.949 -31.720 -19.446 175 H THR 23 H THR 23 9.402 -32.599 -18.877 176 HA THR 23 HA THR 23 12.092 -33.397 -18.457 177 HB THR 23 HB THR 23 11.614 -33.368 -16.118 178 HG1 THR 23 HG1 THR 23 9.473 -33.372 -15.345 179 HG21 THR 23 HG21 THR 23 9.899 -31.288 -17.484 180 HG22 THR 23 HG22 THR 23 11.635 -31.170 -17.196 181 HG23 THR 23 HG23 THR 23 10.515 -31.196 -15.835 182 H VAL 24 H VAL 24 12.909 -35.327 -17.582 183 HA VAL 24 HA VAL 24 11.440 -37.694 -18.404 184 HB VAL 24 HB VAL 24 13.506 -38.919 -17.924 185 HG11 VAL 24 HG11 VAL 24 14.642 -38.208 -19.792 186 HG12 VAL 24 HG12 VAL 24 13.069 -37.449 -20.048 187 HG13 VAL 24 HG13 VAL 24 14.414 -36.501 -19.413 188 HG21 VAL 24 HG21 VAL 24 14.693 -36.263 -17.135 189 HG22 VAL 24 HG22 VAL 24 14.191 -37.505 -15.988 190 HG23 VAL 24 HG23 VAL 24 15.493 -37.835 -17.131 191 H LYS 25 H LYS 25 11.031 -39.482 -17.042 192 HA LYS 25 HA LYS 25 10.713 -38.741 -14.216 193 HB2 LYS 25 HB2 LYS 25 8.770 -39.530 -15.836 194 HB3 LYS 25 HB3 LYS 25 9.361 -41.127 -15.394 195 HG2 LYS 25 HG2 LYS 25 8.745 -39.124 -13.267 196 HG3 LYS 25 HG3 LYS 25 7.444 -40.038 -14.034 197 HD2 LYS 25 HD2 LYS 25 9.821 -41.536 -13.059 198 HD3 LYS 25 HD3 LYS 25 8.681 -40.917 -11.861 199 HE2 LYS 25 HE2 LYS 25 7.754 -42.966 -12.272 200 HE3 LYS 25 HE3 LYS 25 6.911 -42.001 -13.483 201 HZ1 LYS 25 HZ1 LYS 25 9.443 -43.245 -14.253 202 HZ2 LYS 25 HZ2 LYS 25 8.058 -42.955 -15.178 203 HZ3 LYS 25 HZ3 LYS 25 8.094 -44.252 -14.094 Start of MODEL 15 1 H1 ALA 1 H ALA 1 0.110 3.793 -1.133 2 HA ALA 1 HA ALA 1 -0.221 4.791 -3.818 3 HB1 ALA 1 HB1 ALA 1 2.104 3.093 -3.321 4 HB2 ALA 1 HB2 ALA 1 2.014 4.750 -3.920 5 HB3 ALA 1 HB3 ALA 1 1.944 4.434 -2.186 6 H MET 2 H MET 2 0.277 3.418 -5.716 7 HA MET 2 HA MET 2 -0.930 0.752 -5.395 8 HB2 MET 2 HB2 MET 2 -1.421 1.011 -7.890 9 HB3 MET 2 HB3 MET 2 -2.360 2.003 -6.783 10 HG2 MET 2 HG2 MET 2 -1.031 3.929 -7.283 11 HG3 MET 2 HG3 MET 2 0.083 2.963 -8.247 12 HE1 MET 2 HE1 MET 2 -1.591 2.392 -11.542 13 HE2 MET 2 HE2 MET 2 -0.129 3.160 -10.922 14 HE3 MET 2 HE3 MET 2 -0.644 1.598 -10.283 15 H VAL 3 H VAL 3 0.497 -0.843 -5.501 16 HA VAL 3 HA VAL 3 3.022 -0.460 -6.905 17 HB VAL 3 HB VAL 3 3.719 -2.563 -5.879 18 HG11 VAL 3 HG11 VAL 3 2.827 -0.229 -4.397 19 HG12 VAL 3 HG12 VAL 3 2.902 -1.679 -3.394 20 HG13 VAL 3 HG13 VAL 3 4.332 -1.139 -4.274 21 HG21 VAL 3 HG21 VAL 3 1.995 -4.020 -5.661 22 HG22 VAL 3 HG22 VAL 3 1.945 -3.341 -4.034 23 HG23 VAL 3 HG23 VAL 3 0.830 -2.756 -5.268 24 H SER 4 H SER 4 3.707 -1.663 -8.639 25 HA SER 4 HA SER 4 1.635 -3.286 -9.962 26 HB2 SER 4 HB2 SER 4 3.164 -2.745 -12.034 27 HB3 SER 4 HB3 SER 4 2.007 -1.549 -11.451 28 HG SER 4 HG SER 4 3.719 -0.323 -11.365 29 H GLU 5 H GLU 5 3.032 -4.622 -8.098 30 HA GLU 5 HA GLU 5 5.447 -5.794 -8.991 31 HB2 GLU 5 HB2 GLU 5 5.124 -7.404 -7.201 32 HB3 GLU 5 HB3 GLU 5 4.740 -5.787 -6.630 33 HG2 GLU 5 HG2 GLU 5 2.338 -6.289 -6.997 34 HG3 GLU 5 HG3 GLU 5 2.791 -7.945 -7.398 35 H PHE 6 H PHE 6 2.068 -6.596 -9.449 36 HA PHE 6 HA PHE 6 2.687 -9.138 -10.701 37 HB2 PHE 6 HB2 PHE 6 0.295 -9.421 -10.911 38 HB3 PHE 6 HB3 PHE 6 0.654 -8.835 -9.291 39 HD1 PHE 6 HD1 PHE 6 -0.888 -8.058 -12.499 40 HD2 PHE 6 HD2 PHE 6 0.051 -6.580 -8.619 41 HE1 PHE 6 HE1 PHE 6 -2.469 -6.201 -12.827 42 HE2 PHE 6 HE2 PHE 6 -1.529 -4.722 -8.941 43 HZ PHE 6 HZ PHE 6 -2.792 -4.531 -11.046 44 H LEU 7 H LEU 7 1.881 -5.871 -11.627 45 HA LEU 7 HA LEU 7 1.383 -6.522 -14.386 46 HB2 LEU 7 HB2 LEU 7 0.378 -4.580 -13.135 47 HB3 LEU 7 HB3 LEU 7 1.962 -3.812 -13.211 48 HG LEU 7 HG LEU 7 0.201 -3.102 -14.922 49 HD11 LEU 7 HD11 LEU 7 3.010 -3.404 -15.072 50 HD12 LEU 7 HD12 LEU 7 1.987 -2.225 -15.893 51 HD13 LEU 7 HD13 LEU 7 2.345 -3.771 -16.664 52 HD21 LEU 7 HD21 LEU 7 1.091 -5.516 -16.446 53 HD22 LEU 7 HD22 LEU 7 -0.292 -4.459 -16.730 54 HD23 LEU 7 HD23 LEU 7 -0.315 -5.601 -15.385 55 H LYS 8 H LYS 8 4.118 -5.664 -12.443 56 HA LYS 8 HA LYS 8 5.806 -4.787 -14.568 57 HB2 LYS 8 HB2 LYS 8 6.172 -4.198 -12.183 58 HB3 LYS 8 HB3 LYS 8 6.579 -5.877 -11.855 59 HG2 LYS 8 HG2 LYS 8 8.603 -5.741 -12.924 60 HG3 LYS 8 HG3 LYS 8 8.086 -4.414 -13.966 61 HD2 LYS 8 HD2 LYS 8 8.330 -4.029 -11.004 62 HD3 LYS 8 HD3 LYS 8 9.751 -3.926 -12.046 63 HE2 LYS 8 HE2 LYS 8 8.730 -2.154 -13.329 64 HE3 LYS 8 HE3 LYS 8 7.230 -2.313 -12.417 65 HZ1 LYS 8 HZ1 LYS 8 9.816 -1.204 -11.543 66 HZ2 LYS 8 HZ2 LYS 8 8.725 -1.812 -10.402 67 HZ3 LYS 8 HZ3 LYS 8 8.269 -0.532 -11.411 68 H GLN 9 H GLN 9 4.518 -7.749 -13.951 69 HA GLN 9 HA GLN 9 6.693 -9.087 -15.403 70 HB2 GLN 9 HB2 GLN 9 6.647 -10.989 -14.017 71 HB3 GLN 9 HB3 GLN 9 6.658 -9.624 -12.908 72 HG2 GLN 9 HG2 GLN 9 4.036 -9.944 -13.076 73 HG3 GLN 9 HG3 GLN 9 4.518 -11.590 -13.483 74 HE21 GLN 9 HE21 GLN 9 3.768 -12.520 -11.625 75 HE22 GLN 9 HE22 GLN 9 4.466 -12.235 -10.071 76 H ALA 10 H ALA 10 3.293 -8.841 -14.636 77 HA ALA 10 HA ALA 10 2.161 -10.961 -15.923 78 HB1 ALA 10 HB1 ALA 10 0.345 -9.205 -16.605 79 HB2 ALA 10 HB2 ALA 10 0.619 -9.594 -14.906 80 HB3 ALA 10 HB3 ALA 10 1.305 -8.123 -15.596 81 H TRP 11 H TRP 11 3.580 -8.097 -17.389 82 HA TRP 11 HA TRP 11 2.873 -9.061 -20.059 83 HB2 TRP 11 HB2 TRP 11 4.112 -6.462 -19.133 84 HB3 TRP 11 HB3 TRP 11 3.796 -6.866 -20.818 85 HD1 TRP 11 HD1 TRP 11 2.361 -4.751 -18.405 86 HE1 TRP 11 HE1 TRP 11 -0.188 -4.494 -18.659 87 HE3 TRP 11 HE3 TRP 11 1.428 -8.801 -21.382 88 HZ2 TRP 11 HZ2 TRP 11 -2.312 -5.831 -19.949 89 HZ3 TRP 11 HZ3 TRP 11 -0.889 -9.242 -22.082 90 HH2 TRP 11 HH2 TRP 11 -2.719 -7.787 -21.378 91 H PHE 12 H PHE 12 5.559 -8.771 -17.894 92 HA PHE 12 HA PHE 12 7.376 -9.688 -20.023 93 HB2 PHE 12 HB2 PHE 12 8.480 -8.652 -17.465 94 HB3 PHE 12 HB3 PHE 12 9.097 -8.487 -19.106 95 HD1 PHE 12 HD1 PHE 12 8.732 -6.535 -20.328 96 HD2 PHE 12 HD2 PHE 12 6.469 -7.262 -16.796 97 HE1 PHE 12 HE1 PHE 12 7.834 -4.246 -20.436 98 HE2 PHE 12 HE2 PHE 12 5.567 -4.975 -16.899 99 HZ PHE 12 HZ PHE 12 6.249 -3.464 -18.721 100 H ILE 13 H ILE 13 7.576 -11.827 -19.941 101 HA ILE 13 HA ILE 13 8.121 -13.069 -17.333 102 HB ILE 13 HB ILE 13 6.891 -15.083 -18.768 103 HG12 ILE 13 HG12 ILE 13 5.269 -12.545 -19.065 104 HG13 ILE 13 HG13 ILE 13 6.057 -13.405 -20.383 105 HG21 ILE 13 HG21 ILE 13 6.125 -15.246 -16.688 106 HG22 ILE 13 HG22 ILE 13 6.457 -13.544 -16.371 107 HG23 ILE 13 HG23 ILE 13 4.925 -14.022 -17.102 108 HD11 ILE 13 HD11 ILE 13 3.570 -14.017 -18.937 109 HD12 ILE 13 HD12 ILE 13 4.015 -14.310 -20.619 110 HD13 ILE 13 HD13 ILE 13 4.587 -15.397 -19.353 111 H GLU 14 H GLU 14 9.974 -14.149 -17.333 112 HA GLU 14 HA GLU 14 11.359 -14.641 -19.827 113 HB2 GLU 14 HB2 GLU 14 12.439 -13.753 -17.697 114 HB3 GLU 14 HB3 GLU 14 12.297 -15.386 -17.060 115 HG2 GLU 14 HG2 GLU 14 14.514 -15.007 -17.938 116 HG3 GLU 14 HG3 GLU 14 13.673 -16.224 -18.896 117 H ASN 15 H ASN 15 11.953 -16.627 -20.647 118 HA ASN 15 HA ASN 15 10.342 -18.879 -19.706 119 HB2 ASN 15 HB2 ASN 15 10.621 -17.977 -22.201 120 HB3 ASN 15 HB3 ASN 15 12.000 -19.073 -22.173 121 HD21 ASN 15 HD21 ASN 15 8.804 -18.825 -22.879 122 HD22 ASN 15 HD22 ASN 15 8.359 -20.493 -22.794 123 H GLU 16 H GLU 16 12.601 -18.126 -18.152 124 HA GLU 16 HA GLU 16 14.620 -20.155 -18.743 125 HB2 GLU 16 HB2 GLU 16 15.285 -17.818 -18.121 126 HB3 GLU 16 HB3 GLU 16 14.608 -18.106 -16.524 127 HG2 GLU 16 HG2 GLU 16 16.206 -19.870 -16.122 128 HG3 GLU 16 HG3 GLU 16 16.845 -19.698 -17.756 129 H GLU 17 H GLU 17 12.278 -19.263 -16.254 130 HA GLU 17 HA GLU 17 12.732 -21.881 -14.981 131 HB2 GLU 17 HB2 GLU 17 13.170 -19.722 -13.650 132 HB3 GLU 17 HB3 GLU 17 11.423 -19.532 -13.632 133 HG2 GLU 17 HG2 GLU 17 11.696 -20.623 -11.665 134 HG3 GLU 17 HG3 GLU 17 11.515 -22.012 -12.736 135 H GLN 18 H GLN 18 11.061 -21.496 -17.267 136 HA GLN 18 HA GLN 18 8.325 -21.441 -16.342 137 HB2 GLN 18 HB2 GLN 18 9.642 -21.080 -18.818 138 HB3 GLN 18 HB3 GLN 18 8.579 -22.468 -19.010 139 HG2 GLN 18 HG2 GLN 18 6.796 -20.938 -17.923 140 HG3 GLN 18 HG3 GLN 18 7.889 -19.634 -18.381 141 HE21 GLN 18 HE21 GLN 18 7.014 -18.682 -20.082 142 HE22 GLN 18 HE22 GLN 18 6.441 -19.480 -21.503 143 H GLU 19 H GLU 19 6.816 -23.218 -16.866 144 HA GLU 19 HA GLU 19 8.018 -25.774 -16.119 145 HB2 GLU 19 HB2 GLU 19 5.665 -26.472 -15.692 146 HB3 GLU 19 HB3 GLU 19 6.175 -25.087 -14.737 147 HG2 GLU 19 HG2 GLU 19 4.829 -24.538 -17.315 148 HG3 GLU 19 HG3 GLU 19 3.845 -25.177 -15.999 149 H TYR 20 H TYR 20 7.903 -27.600 -17.347 150 HA TYR 20 HA TYR 20 6.273 -27.770 -19.702 151 HB2 TYR 20 HB2 TYR 20 9.134 -27.011 -19.897 152 HB3 TYR 20 HB3 TYR 20 8.570 -28.239 -21.024 153 HD1 TYR 20 HD1 TYR 20 9.118 -24.855 -20.693 154 HD2 TYR 20 HD2 TYR 20 6.144 -27.564 -22.079 155 HE1 TYR 20 HE1 TYR 20 8.194 -23.092 -22.138 156 HE2 TYR 20 HE2 TYR 20 5.213 -25.809 -23.529 157 HH TYR 20 HH TYR 20 5.863 -22.611 -23.193 158 H VAL 21 H VAL 21 5.993 -29.855 -20.362 159 HA VAL 21 HA VAL 21 7.122 -31.909 -18.646 160 HB VAL 21 HB VAL 21 5.545 -33.431 -19.796 161 HG11 VAL 21 HG11 VAL 21 4.263 -30.893 -18.790 162 HG12 VAL 21 HG12 VAL 21 3.513 -32.489 -18.857 163 HG13 VAL 21 HG13 VAL 21 4.878 -32.199 -17.778 164 HG21 VAL 21 HG21 VAL 21 4.894 -32.880 -21.854 165 HG22 VAL 21 HG22 VAL 21 3.803 -31.714 -21.105 166 HG23 VAL 21 HG23 VAL 21 5.403 -31.204 -21.643 167 H GLN 22 H GLN 22 8.363 -33.632 -19.325 168 HA GLN 22 HA GLN 22 9.927 -33.169 -21.711 169 HB2 GLN 22 HB2 GLN 22 10.940 -33.900 -19.547 170 HB3 GLN 22 HB3 GLN 22 10.121 -35.445 -19.733 171 HG2 GLN 22 HG2 GLN 22 11.347 -35.800 -21.845 172 HG3 GLN 22 HG3 GLN 22 12.219 -34.295 -21.558 173 HE21 GLN 22 HE21 GLN 22 13.149 -37.089 -21.775 174 HE22 GLN 22 HE22 GLN 22 14.035 -37.391 -20.323 175 H THR 23 H THR 23 9.796 -34.236 -23.595 176 HA THR 23 HA THR 23 7.580 -36.079 -23.960 177 HB THR 23 HB THR 23 8.055 -35.898 -26.355 178 HG1 THR 23 HG1 THR 23 9.771 -34.557 -27.048 179 HG21 THR 23 HG21 THR 23 6.693 -34.158 -25.191 180 HG22 THR 23 HG22 THR 23 7.492 -33.579 -26.654 181 HG23 THR 23 HG23 THR 23 8.148 -33.169 -25.069 182 H VAL 24 H VAL 24 7.762 -38.174 -24.779 183 HA VAL 24 HA VAL 24 10.461 -39.353 -24.634 184 HB VAL 24 HB VAL 24 9.018 -39.994 -22.706 185 HG11 VAL 24 HG11 VAL 24 7.362 -41.386 -24.809 186 HG12 VAL 24 HG12 VAL 24 7.140 -41.496 -23.062 187 HG13 VAL 24 HG13 VAL 24 6.868 -39.964 -23.892 188 HG21 VAL 24 HG21 VAL 24 9.811 -42.150 -22.646 189 HG22 VAL 24 HG22 VAL 24 9.417 -42.460 -24.337 190 HG23 VAL 24 HG23 VAL 24 10.814 -41.465 -23.925 191 H LYS 25 H LYS 25 11.066 -40.710 -26.242 192 HA LYS 25 HA LYS 25 9.148 -41.078 -28.443 193 HB2 LYS 25 HB2 LYS 25 11.449 -39.844 -28.690 194 HB3 LYS 25 HB3 LYS 25 12.102 -41.477 -28.748 195 HG2 LYS 25 HG2 LYS 25 11.783 -40.814 -30.983 196 HG3 LYS 25 HG3 LYS 25 10.469 -41.934 -30.616 197 HD2 LYS 25 HD2 LYS 25 9.004 -39.979 -30.164 198 HD3 LYS 25 HD3 LYS 25 10.317 -38.921 -30.686 199 HE2 LYS 25 HE2 LYS 25 8.958 -41.032 -32.360 200 HE3 LYS 25 HE3 LYS 25 8.713 -39.290 -32.487 201 HZ1 LYS 25 HZ1 LYS 25 11.128 -40.854 -33.171 202 HZ2 LYS 25 HZ2 LYS 25 11.192 -39.181 -32.931 203 HZ3 LYS 25 HZ3 LYS 25 10.228 -39.821 -34.164 Start of MODEL 16 1 H1 ALA 1 H ALA 1 1.277 -2.725 1.446 2 HA ALA 1 HA ALA 1 0.442 -0.623 -0.353 3 HB1 ALA 1 HB1 ALA 1 2.619 -0.369 -0.785 4 HB2 ALA 1 HB2 ALA 1 2.881 -1.479 0.561 5 HB3 ALA 1 HB3 ALA 1 2.851 -2.090 -1.093 6 H MET 2 H MET 2 1.169 -1.147 -2.788 7 HA MET 2 HA MET 2 -0.350 -3.551 -3.553 8 HB2 MET 2 HB2 MET 2 -0.777 -2.354 -5.702 9 HB3 MET 2 HB3 MET 2 -1.480 -1.565 -4.296 10 HG2 MET 2 HG2 MET 2 -0.459 0.308 -4.855 11 HG3 MET 2 HG3 MET 2 1.098 -0.486 -4.636 12 HE1 MET 2 HE1 MET 2 2.292 0.822 -7.872 13 HE2 MET 2 HE2 MET 2 1.262 1.856 -6.882 14 HE3 MET 2 HE3 MET 2 2.398 0.746 -6.113 15 H VAL 3 H VAL 3 0.928 -5.149 -4.196 16 HA VAL 3 HA VAL 3 3.544 -4.565 -5.345 17 HB VAL 3 HB VAL 3 3.996 -6.945 -5.129 18 HG11 VAL 3 HG11 VAL 3 4.620 -6.312 -3.087 19 HG12 VAL 3 HG12 VAL 3 3.237 -5.228 -2.924 20 HG13 VAL 3 HG13 VAL 3 3.074 -6.936 -2.513 21 HG21 VAL 3 HG21 VAL 3 1.102 -7.113 -4.317 22 HG22 VAL 3 HG22 VAL 3 1.900 -7.931 -5.660 23 HG23 VAL 3 HG23 VAL 3 2.273 -8.393 -4.000 24 H SER 4 H SER 4 4.091 -4.884 -7.427 25 HA SER 4 HA SER 4 1.968 -5.810 -9.240 26 HB2 SER 4 HB2 SER 4 3.571 -4.636 -10.965 27 HB3 SER 4 HB3 SER 4 2.486 -3.670 -9.966 28 HG SER 4 HG SER 4 4.152 -2.829 -8.995 29 H GLU 5 H GLU 5 3.234 -7.845 -8.029 30 HA GLU 5 HA GLU 5 5.581 -8.760 -9.317 31 HB2 GLU 5 HB2 GLU 5 5.136 -10.886 -8.252 32 HB3 GLU 5 HB3 GLU 5 4.803 -9.586 -7.118 33 HG2 GLU 5 HG2 GLU 5 2.388 -9.794 -7.704 34 HG3 GLU 5 HG3 GLU 5 2.801 -11.221 -8.654 35 H PHE 6 H PHE 6 2.165 -9.089 -10.021 36 HA PHE 6 HA PHE 6 2.635 -11.007 -12.144 37 HB2 PHE 6 HB2 PHE 6 0.241 -11.039 -12.420 38 HB3 PHE 6 HB3 PHE 6 0.598 -11.099 -10.697 39 HD1 PHE 6 HD1 PHE 6 0.137 -9.189 -9.263 40 HD2 PHE 6 HD2 PHE 6 -0.834 -9.133 -13.407 41 HE1 PHE 6 HE1 PHE 6 -1.316 -7.238 -8.893 42 HE2 PHE 6 HE2 PHE 6 -2.287 -7.181 -13.043 43 HZ PHE 6 HZ PHE 6 -2.529 -6.231 -10.785 44 H LEU 7 H LEU 7 2.072 -7.585 -11.761 45 HA LEU 7 HA LEU 7 1.586 -7.110 -14.559 46 HB2 LEU 7 HB2 LEU 7 0.690 -5.718 -12.660 47 HB3 LEU 7 HB3 LEU 7 2.324 -5.092 -12.451 48 HG LEU 7 HG LEU 7 0.650 -3.666 -13.755 49 HD11 LEU 7 HD11 LEU 7 2.780 -3.777 -15.634 50 HD12 LEU 7 HD12 LEU 7 3.435 -4.086 -14.027 51 HD13 LEU 7 HD13 LEU 7 2.511 -2.616 -14.334 52 HD21 LEU 7 HD21 LEU 7 0.103 -4.203 -15.937 53 HD22 LEU 7 HD22 LEU 7 -0.026 -5.763 -15.123 54 HD23 LEU 7 HD23 LEU 7 1.405 -5.384 -16.084 55 H LYS 8 H LYS 8 4.333 -7.243 -12.454 56 HA LYS 8 HA LYS 8 6.120 -5.750 -14.102 57 HB2 LYS 8 HB2 LYS 8 6.477 -6.133 -11.673 58 HB3 LYS 8 HB3 LYS 8 6.762 -7.836 -12.008 59 HG2 LYS 8 HG2 LYS 8 8.811 -7.449 -12.961 60 HG3 LYS 8 HG3 LYS 8 8.407 -5.793 -13.418 61 HD2 LYS 8 HD2 LYS 8 8.679 -6.631 -10.545 62 HD3 LYS 8 HD3 LYS 8 10.068 -6.113 -11.503 63 HE2 LYS 8 HE2 LYS 8 8.670 -4.031 -12.041 64 HE3 LYS 8 HE3 LYS 8 7.643 -4.536 -10.700 65 HZ1 LYS 8 HZ1 LYS 8 9.106 -3.761 -9.245 66 HZ2 LYS 8 HZ2 LYS 8 9.938 -3.045 -10.532 67 HZ3 LYS 8 HZ3 LYS 8 10.396 -4.576 -9.976 68 H GLN 9 H GLN 9 4.622 -8.628 -14.641 69 HA GLN 9 HA GLN 9 6.729 -9.468 -16.507 70 HB2 GLN 9 HB2 GLN 9 6.527 -11.745 -15.941 71 HB3 GLN 9 HB3 GLN 9 6.608 -10.903 -14.399 72 HG2 GLN 9 HG2 GLN 9 3.974 -10.950 -14.657 73 HG3 GLN 9 HG3 GLN 9 4.351 -12.351 -15.658 74 HE21 GLN 9 HE21 GLN 9 3.265 -13.648 -14.113 75 HE22 GLN 9 HE22 GLN 9 4.041 -14.101 -12.637 76 H ALA 10 H ALA 10 3.339 -9.291 -15.679 77 HA ALA 10 HA ALA 10 2.092 -10.683 -17.664 78 HB1 ALA 10 HB1 ALA 10 0.621 -9.700 -16.203 79 HB2 ALA 10 HB2 ALA 10 1.426 -8.132 -16.274 80 HB3 ALA 10 HB3 ALA 10 0.418 -8.667 -17.618 81 H TRP 11 H TRP 11 3.732 -7.585 -17.949 82 HA TRP 11 HA TRP 11 3.015 -7.418 -20.781 83 HB2 TRP 11 HB2 TRP 11 4.409 -5.455 -18.949 84 HB3 TRP 11 HB3 TRP 11 4.100 -5.169 -20.660 85 HD1 TRP 11 HD1 TRP 11 2.763 -4.026 -17.617 86 HE1 TRP 11 HE1 TRP 11 0.244 -3.514 -17.736 87 HE3 TRP 11 HE3 TRP 11 1.619 -6.576 -21.897 88 HZ2 TRP 11 HZ2 TRP 11 -1.940 -4.111 -19.422 89 HZ3 TRP 11 HZ3 TRP 11 -0.709 -6.556 -22.695 90 HH2 TRP 11 HH2 TRP 11 -2.450 -5.349 -21.482 91 H PHE 12 H PHE 12 5.670 -8.157 -18.685 92 HA PHE 12 HA PHE 12 7.464 -8.328 -21.016 93 HB2 PHE 12 HB2 PHE 12 8.584 -8.414 -18.263 94 HB3 PHE 12 HB3 PHE 12 9.243 -7.686 -19.724 95 HD1 PHE 12 HD1 PHE 12 9.036 -5.396 -20.115 96 HD2 PHE 12 HD2 PHE 12 6.659 -7.241 -17.105 97 HE1 PHE 12 HE1 PHE 12 8.297 -3.179 -19.345 98 HE2 PHE 12 HE2 PHE 12 5.916 -5.027 -16.330 99 HZ PHE 12 HZ PHE 12 6.734 -2.993 -17.450 100 H ILE 13 H ILE 13 7.517 -10.349 -21.749 101 HA ILE 13 HA ILE 13 7.923 -12.517 -19.807 102 HB ILE 13 HB ILE 13 6.588 -13.749 -21.888 103 HG12 ILE 13 HG12 ILE 13 5.149 -11.180 -21.193 104 HG13 ILE 13 HG13 ILE 13 5.902 -11.532 -22.744 105 HG21 ILE 13 HG21 ILE 13 4.666 -13.257 -19.929 106 HG22 ILE 13 HG22 ILE 13 5.767 -14.630 -20.021 107 HG23 ILE 13 HG23 ILE 13 6.213 -13.204 -19.084 108 HD11 ILE 13 HD11 ILE 13 3.332 -12.400 -21.654 109 HD12 ILE 13 HD12 ILE 13 3.850 -12.189 -23.327 110 HD13 ILE 13 HD13 ILE 13 4.258 -13.668 -22.457 111 H GLU 14 H GLU 14 9.675 -13.680 -20.236 112 HA GLU 14 HA GLU 14 11.023 -13.324 -22.792 113 HB2 GLU 14 HB2 GLU 14 11.822 -14.379 -20.109 114 HB3 GLU 14 HB3 GLU 14 12.761 -14.834 -21.524 115 HG2 GLU 14 HG2 GLU 14 12.161 -11.963 -20.949 116 HG3 GLU 14 HG3 GLU 14 13.489 -12.792 -20.140 117 H ASN 15 H ASN 15 11.802 -15.109 -24.039 118 HA ASN 15 HA ASN 15 9.870 -17.227 -24.249 119 HB2 ASN 15 HB2 ASN 15 11.036 -17.866 -26.252 120 HB3 ASN 15 HB3 ASN 15 10.937 -16.108 -26.224 121 HD21 ASN 15 HD21 ASN 15 12.958 -18.778 -26.500 122 HD22 ASN 15 HD22 ASN 15 14.476 -17.957 -26.409 123 H GLU 16 H GLU 16 13.224 -16.915 -23.217 124 HA GLU 16 HA GLU 16 13.889 -19.617 -23.027 125 HB2 GLU 16 HB2 GLU 16 15.552 -17.848 -22.817 126 HB3 GLU 16 HB3 GLU 16 14.812 -17.301 -21.319 127 HG2 GLU 16 HG2 GLU 16 16.738 -18.544 -20.739 128 HG3 GLU 16 HG3 GLU 16 15.338 -19.537 -20.338 129 H GLU 17 H GLU 17 12.142 -17.520 -20.808 130 HA GLU 17 HA GLU 17 11.892 -19.704 -18.876 131 HB2 GLU 17 HB2 GLU 17 12.469 -17.274 -18.244 132 HB3 GLU 17 HB3 GLU 17 10.772 -16.932 -18.545 133 HG2 GLU 17 HG2 GLU 17 10.122 -18.536 -16.846 134 HG3 GLU 17 HG3 GLU 17 11.813 -18.946 -16.566 135 H GLN 18 H GLN 18 10.562 -19.938 -21.395 136 HA GLN 18 HA GLN 18 7.843 -19.207 -21.255 137 HB2 GLN 18 HB2 GLN 18 9.537 -20.819 -22.984 138 HB3 GLN 18 HB3 GLN 18 7.935 -21.519 -22.796 139 HG2 GLN 18 HG2 GLN 18 6.883 -19.714 -23.773 140 HG3 GLN 18 HG3 GLN 18 8.225 -18.620 -23.438 141 HE21 GLN 18 HE21 GLN 18 7.214 -18.542 -25.892 142 HE22 GLN 18 HE22 GLN 18 8.267 -19.297 -27.034 143 H GLU 19 H GLU 19 6.002 -20.435 -20.748 144 HA GLU 19 HA GLU 19 6.395 -22.266 -18.552 145 HB2 GLU 19 HB2 GLU 19 4.036 -20.916 -19.801 146 HB3 GLU 19 HB3 GLU 19 3.774 -22.310 -18.763 147 HG2 GLU 19 HG2 GLU 19 3.542 -20.402 -17.402 148 HG3 GLU 19 HG3 GLU 19 5.101 -21.118 -16.998 149 H TYR 20 H TYR 20 6.722 -24.360 -18.850 150 HA TYR 20 HA TYR 20 5.026 -25.898 -20.587 151 HB2 TYR 20 HB2 TYR 20 7.834 -25.262 -21.347 152 HB3 TYR 20 HB3 TYR 20 7.265 -26.903 -21.632 153 HD1 TYR 20 HD1 TYR 20 7.555 -23.715 -23.034 154 HD2 TYR 20 HD2 TYR 20 4.887 -27.022 -22.826 155 HE1 TYR 20 HE1 TYR 20 6.481 -22.972 -25.118 156 HE2 TYR 20 HE2 TYR 20 3.806 -26.289 -24.911 157 HH TYR 20 HH TYR 20 4.470 -23.213 -26.341 158 H VAL 21 H VAL 21 4.897 -28.005 -19.960 159 HA VAL 21 HA VAL 21 6.336 -28.713 -17.524 160 HB VAL 21 HB VAL 21 4.764 -30.653 -17.451 161 HG11 VAL 21 HG11 VAL 21 4.376 -28.171 -16.593 162 HG12 VAL 21 HG12 VAL 21 3.038 -28.257 -17.742 163 HG13 VAL 21 HG13 VAL 21 3.147 -29.424 -16.423 164 HG21 VAL 21 HG21 VAL 21 2.816 -29.620 -19.280 165 HG22 VAL 21 HG22 VAL 21 4.324 -29.943 -20.136 166 HG23 VAL 21 HG23 VAL 21 3.541 -31.227 -19.215 167 H GLN 22 H GLN 22 7.500 -30.642 -17.273 168 HA GLN 22 HA GLN 22 8.789 -31.554 -19.709 169 HB2 GLN 22 HB2 GLN 22 10.251 -31.043 -17.878 170 HB3 GLN 22 HB3 GLN 22 9.336 -32.075 -16.787 171 HG2 GLN 22 HG2 GLN 22 10.579 -33.277 -19.209 172 HG3 GLN 22 HG3 GLN 22 11.596 -32.878 -17.825 173 HE21 GLN 22 HE21 GLN 22 11.134 -35.479 -18.831 174 HE22 GLN 22 HE22 GLN 22 10.326 -36.386 -17.602 175 H THR 23 H THR 23 8.609 -33.540 -20.601 176 HA THR 23 HA THR 23 6.682 -35.385 -19.349 177 HB THR 23 HB THR 23 6.458 -36.308 -21.727 178 HG1 THR 23 HG1 THR 23 8.153 -35.331 -22.772 179 HG21 THR 23 HG21 THR 23 4.522 -35.216 -21.587 180 HG22 THR 23 HG22 THR 23 5.316 -33.748 -22.157 181 HG23 THR 23 HG23 THR 23 5.226 -34.089 -20.429 182 H VAL 24 H VAL 24 7.211 -37.500 -19.063 183 HA VAL 24 HA VAL 24 9.979 -38.194 -19.059 184 HB VAL 24 HB VAL 24 7.638 -40.059 -18.668 185 HG11 VAL 24 HG11 VAL 24 9.529 -41.388 -18.855 186 HG12 VAL 24 HG12 VAL 24 10.567 -40.198 -18.067 187 HG13 VAL 24 HG13 VAL 24 9.409 -41.129 -17.115 188 HG21 VAL 24 HG21 VAL 24 8.615 -39.408 -16.170 189 HG22 VAL 24 HG22 VAL 24 8.601 -37.864 -17.023 190 HG23 VAL 24 HG23 VAL 24 7.119 -38.811 -16.890 191 H LYS 25 H LYS 25 11.025 -39.830 -20.239 192 HA LYS 25 HA LYS 25 9.650 -40.752 -22.668 193 HB2 LYS 25 HB2 LYS 25 11.734 -40.352 -23.954 194 HB3 LYS 25 HB3 LYS 25 11.000 -38.871 -23.355 195 HG2 LYS 25 HG2 LYS 25 13.131 -38.422 -22.771 196 HG3 LYS 25 HG3 LYS 25 12.683 -39.350 -21.338 197 HD2 LYS 25 HD2 LYS 25 14.609 -40.439 -21.887 198 HD3 LYS 25 HD3 LYS 25 13.475 -41.371 -22.866 199 HE2 LYS 25 HE2 LYS 25 14.725 -38.937 -24.044 200 HE3 LYS 25 HE3 LYS 25 15.698 -40.400 -23.894 201 HZ1 LYS 25 HZ1 LYS 25 14.788 -40.806 -25.903 202 HZ2 LYS 25 HZ2 LYS 25 13.418 -39.855 -25.620 203 HZ3 LYS 25 HZ3 LYS 25 13.512 -41.416 -24.975 Start of MODEL 17 1 H1 ALA 1 H ALA 1 -0.758 1.508 -0.041 2 HA ALA 1 HA ALA 1 -1.289 2.858 -2.461 3 HB1 ALA 1 HB1 ALA 1 1.182 1.441 -2.633 4 HB2 ALA 1 HB2 ALA 1 0.905 3.165 -2.380 5 HB3 ALA 1 HB3 ALA 1 0.991 2.074 -0.998 6 H MET 2 H MET 2 -0.277 1.852 -4.582 7 HA MET 2 HA MET 2 -1.567 -0.769 -4.962 8 HB2 MET 2 HB2 MET 2 -1.089 1.291 -7.113 9 HB3 MET 2 HB3 MET 2 -2.104 -0.142 -7.202 10 HG2 MET 2 HG2 MET 2 -3.272 1.125 -5.142 11 HG3 MET 2 HG3 MET 2 -2.656 2.507 -6.046 12 HE1 MET 2 HE1 MET 2 -3.110 1.469 -9.289 13 HE2 MET 2 HE2 MET 2 -4.487 2.572 -9.287 14 HE3 MET 2 HE3 MET 2 -3.030 2.978 -8.378 15 H VAL 3 H VAL 3 -0.124 -2.346 -5.140 16 HA VAL 3 HA VAL 3 2.562 -1.778 -6.115 17 HB VAL 3 HB VAL 3 3.132 -4.026 -5.388 18 HG11 VAL 3 HG11 VAL 3 3.302 -3.412 -3.239 19 HG12 VAL 3 HG12 VAL 3 2.495 -1.932 -3.759 20 HG13 VAL 3 HG13 VAL 3 1.557 -3.246 -3.048 21 HG21 VAL 3 HG21 VAL 3 0.889 -4.918 -3.989 22 HG22 VAL 3 HG22 VAL 3 0.280 -4.413 -5.565 23 HG23 VAL 3 HG23 VAL 3 1.571 -5.610 -5.462 24 H SER 4 H SER 4 3.521 -2.818 -7.869 25 HA SER 4 HA SER 4 1.614 -3.993 -9.783 26 HB2 SER 4 HB2 SER 4 3.527 -3.291 -11.444 27 HB3 SER 4 HB3 SER 4 2.381 -2.085 -10.858 28 HG SER 4 HG SER 4 4.498 -1.317 -10.658 29 H GLU 5 H GLU 5 2.609 -5.702 -7.919 30 HA GLU 5 HA GLU 5 5.031 -6.973 -8.619 31 HB2 GLU 5 HB2 GLU 5 4.262 -8.813 -7.202 32 HB3 GLU 5 HB3 GLU 5 3.986 -7.260 -6.425 33 HG2 GLU 5 HG2 GLU 5 1.613 -7.459 -7.456 34 HG3 GLU 5 HG3 GLU 5 2.011 -9.172 -7.580 35 H PHE 6 H PHE 6 1.708 -7.414 -9.668 36 HA PHE 6 HA PHE 6 2.379 -9.757 -11.243 37 HB2 PHE 6 HB2 PHE 6 0.025 -9.838 -11.805 38 HB3 PHE 6 HB3 PHE 6 0.191 -9.569 -10.073 39 HD1 PHE 6 HD1 PHE 6 -0.703 -8.021 -13.281 40 HD2 PHE 6 HD2 PHE 6 -0.566 -7.552 -9.053 41 HE1 PHE 6 HE1 PHE 6 -2.142 -6.033 -13.458 42 HE2 PHE 6 HE2 PHE 6 -2.006 -5.564 -9.223 43 HZ PHE 6 HZ PHE 6 -2.796 -4.802 -11.428 44 H LEU 7 H LEU 7 1.910 -6.337 -11.678 45 HA LEU 7 HA LEU 7 1.707 -6.470 -14.545 46 HB2 LEU 7 HB2 LEU 7 0.718 -4.671 -13.083 47 HB3 LEU 7 HB3 LEU 7 2.356 -4.062 -12.859 48 HG LEU 7 HG LEU 7 0.875 -2.908 -14.593 49 HD11 LEU 7 HD11 LEU 7 2.829 -2.067 -15.206 50 HD12 LEU 7 HD12 LEU 7 3.151 -3.492 -16.193 51 HD13 LEU 7 HD13 LEU 7 3.649 -3.460 -14.501 52 HD21 LEU 7 HD21 LEU 7 0.221 -5.236 -15.535 53 HD22 LEU 7 HD22 LEU 7 1.744 -5.113 -16.417 54 HD23 LEU 7 HD23 LEU 7 0.489 -3.895 -16.649 55 H LYS 8 H LYS 8 4.245 -6.231 -12.204 56 HA LYS 8 HA LYS 8 6.245 -5.182 -13.945 57 HB2 LYS 8 HB2 LYS 8 7.804 -5.691 -12.194 58 HB3 LYS 8 HB3 LYS 8 6.335 -5.075 -11.448 59 HG2 LYS 8 HG2 LYS 8 6.291 -6.869 -10.158 60 HG3 LYS 8 HG3 LYS 8 6.026 -7.861 -11.594 61 HD2 LYS 8 HD2 LYS 8 7.935 -8.851 -10.869 62 HD3 LYS 8 HD3 LYS 8 8.673 -7.536 -11.786 63 HE2 LYS 8 HE2 LYS 8 9.790 -7.200 -9.851 64 HE3 LYS 8 HE3 LYS 8 8.332 -6.304 -9.426 65 HZ1 LYS 8 HZ1 LYS 8 8.328 -9.163 -8.862 66 HZ2 LYS 8 HZ2 LYS 8 7.676 -7.883 -7.970 67 HZ3 LYS 8 HZ3 LYS 8 9.335 -8.205 -7.898 68 H GLN 9 H GLN 9 4.654 -8.059 -14.015 69 HA GLN 9 HA GLN 9 6.871 -9.343 -15.451 70 HB2 GLN 9 HB2 GLN 9 6.514 -11.437 -14.439 71 HB3 GLN 9 HB3 GLN 9 6.493 -10.288 -13.107 72 HG2 GLN 9 HG2 GLN 9 3.911 -10.306 -13.538 73 HG3 GLN 9 HG3 GLN 9 4.264 -11.860 -14.293 74 HE21 GLN 9 HE21 GLN 9 5.541 -13.388 -12.957 75 HE22 GLN 9 HE22 GLN 9 5.210 -13.445 -11.262 76 H ALA 10 H ALA 10 3.435 -8.891 -15.004 77 HA ALA 10 HA ALA 10 2.292 -10.637 -16.756 78 HB1 ALA 10 HB1 ALA 10 0.789 -9.282 -15.639 79 HB2 ALA 10 HB2 ALA 10 1.642 -7.800 -16.074 80 HB3 ALA 10 HB3 ALA 10 0.696 -8.662 -17.288 81 H TRP 11 H TRP 11 4.111 -7.730 -17.539 82 HA TRP 11 HA TRP 11 3.653 -8.165 -20.397 83 HB2 TRP 11 HB2 TRP 11 4.974 -5.888 -18.908 84 HB3 TRP 11 HB3 TRP 11 4.825 -5.975 -20.661 85 HD1 TRP 11 HD1 TRP 11 3.292 -4.158 -18.072 86 HE1 TRP 11 HE1 TRP 11 0.818 -3.614 -18.532 87 HE3 TRP 11 HE3 TRP 11 2.393 -7.550 -21.790 88 HZ2 TRP 11 HZ2 TRP 11 -1.241 -4.506 -20.244 89 HZ3 TRP 11 HZ3 TRP 11 0.145 -7.640 -22.786 90 HH2 TRP 11 HH2 TRP 11 -1.634 -6.149 -22.027 91 H PHE 12 H PHE 12 6.077 -8.491 -17.944 92 HA PHE 12 HA PHE 12 8.062 -9.213 -19.997 93 HB2 PHE 12 HB2 PHE 12 8.913 -8.741 -17.187 94 HB3 PHE 12 HB3 PHE 12 9.746 -8.369 -18.692 95 HD1 PHE 12 HD1 PHE 12 6.965 -7.282 -16.499 96 HD2 PHE 12 HD2 PHE 12 9.686 -6.216 -19.594 97 HE1 PHE 12 HE1 PHE 12 6.271 -4.930 -16.295 98 HE2 PHE 12 HE2 PHE 12 8.997 -3.863 -19.394 99 HZ PHE 12 HZ PHE 12 7.289 -3.217 -17.743 100 H ILE 13 H ILE 13 8.090 -11.343 -20.285 101 HA ILE 13 HA ILE 13 8.200 -13.063 -17.903 102 HB ILE 13 HB ILE 13 7.021 -14.649 -19.857 103 HG12 ILE 13 HG12 ILE 13 5.641 -11.958 -19.742 104 HG13 ILE 13 HG13 ILE 13 6.470 -12.623 -21.145 105 HG21 ILE 13 HG21 ILE 13 5.795 -13.218 -17.503 106 HG22 ILE 13 HG22 ILE 13 5.057 -14.573 -18.356 107 HG23 ILE 13 HG23 ILE 13 6.577 -14.799 -17.491 108 HD11 ILE 13 HD11 ILE 13 4.415 -13.284 -21.729 109 HD12 ILE 13 HD12 ILE 13 4.720 -14.608 -20.602 110 HD13 ILE 13 HD13 ILE 13 3.804 -13.195 -20.077 111 H GLU 14 H GLU 14 9.715 -14.633 -17.954 112 HA GLU 14 HA GLU 14 11.710 -14.547 -19.987 113 HB2 GLU 14 HB2 GLU 14 11.317 -16.484 -17.700 114 HB3 GLU 14 HB3 GLU 14 12.751 -16.404 -18.713 115 HG2 GLU 14 HG2 GLU 14 12.762 -13.895 -17.950 116 HG3 GLU 14 HG3 GLU 14 11.806 -14.528 -16.611 117 H ASN 15 H ASN 15 11.297 -15.330 -21.954 118 HA ASN 15 HA ASN 15 9.517 -17.545 -22.383 119 HB2 ASN 15 HB2 ASN 15 9.490 -15.867 -24.064 120 HB3 ASN 15 HB3 ASN 15 11.245 -15.887 -24.217 121 HD21 ASN 15 HD21 ASN 15 11.885 -16.770 -26.031 122 HD22 ASN 15 HD22 ASN 15 11.142 -18.103 -26.840 123 H GLU 16 H GLU 16 13.009 -16.998 -22.751 124 HA GLU 16 HA GLU 16 13.722 -19.502 -23.724 125 HB2 GLU 16 HB2 GLU 16 15.282 -17.662 -21.903 126 HB3 GLU 16 HB3 GLU 16 15.967 -19.033 -22.765 127 HG2 GLU 16 HG2 GLU 16 14.516 -16.960 -24.322 128 HG3 GLU 16 HG3 GLU 16 16.129 -16.591 -23.715 129 H GLU 17 H GLU 17 13.190 -18.426 -20.410 130 HA GLU 17 HA GLU 17 13.649 -21.176 -19.475 131 HB2 GLU 17 HB2 GLU 17 13.816 -18.504 -18.116 132 HB3 GLU 17 HB3 GLU 17 13.586 -19.970 -17.173 133 HG2 GLU 17 HG2 GLU 17 15.646 -20.857 -18.411 134 HG3 GLU 17 HG3 GLU 17 15.924 -19.177 -18.864 135 H GLN 18 H GLN 18 11.245 -20.438 -20.831 136 HA GLN 18 HA GLN 18 9.142 -19.883 -19.020 137 HB2 GLN 18 HB2 GLN 18 8.985 -19.570 -21.476 138 HB3 GLN 18 HB3 GLN 18 9.000 -21.317 -21.677 139 HG2 GLN 18 HG2 GLN 18 6.763 -20.921 -21.773 140 HG3 GLN 18 HG3 GLN 18 6.952 -21.203 -20.043 141 HE21 GLN 18 HE21 GLN 18 5.127 -19.519 -21.848 142 HE22 GLN 18 HE22 GLN 18 5.101 -17.981 -21.061 143 H GLU 19 H GLU 19 7.858 -21.186 -17.817 144 HA GLU 19 HA GLU 19 8.804 -23.690 -16.989 145 HB2 GLU 19 HB2 GLU 19 6.102 -22.382 -16.683 146 HB3 GLU 19 HB3 GLU 19 6.519 -23.911 -15.923 147 HG2 GLU 19 HG2 GLU 19 8.461 -22.695 -14.852 148 HG3 GLU 19 HG3 GLU 19 7.705 -21.203 -15.410 149 H TYR 20 H TYR 20 8.741 -25.587 -17.976 150 HA TYR 20 HA TYR 20 6.385 -26.477 -19.375 151 HB2 TYR 20 HB2 TYR 20 8.846 -25.639 -20.828 152 HB3 TYR 20 HB3 TYR 20 8.023 -27.090 -21.388 153 HD1 TYR 20 HD1 TYR 20 8.341 -23.788 -22.093 154 HD2 TYR 20 HD2 TYR 20 5.268 -26.625 -21.311 155 HE1 TYR 20 HE1 TYR 20 6.744 -22.392 -23.338 156 HE2 TYR 20 HE2 TYR 20 3.663 -25.237 -22.555 157 HH TYR 20 HH TYR 20 4.067 -23.329 -24.588 158 H VAL 21 H VAL 21 6.165 -28.629 -19.208 159 HA VAL 21 HA VAL 21 8.212 -30.111 -17.800 160 HB VAL 21 HB VAL 21 6.590 -31.935 -17.725 161 HG11 VAL 21 HG11 VAL 21 5.954 -29.204 -16.829 162 HG12 VAL 21 HG12 VAL 21 4.610 -30.348 -16.798 163 HG13 VAL 21 HG13 VAL 21 6.091 -30.701 -15.907 164 HG21 VAL 21 HG21 VAL 21 5.417 -31.986 -19.698 165 HG22 VAL 21 HG22 VAL 21 4.225 -31.243 -18.632 166 HG23 VAL 21 HG23 VAL 21 5.175 -30.240 -19.728 167 H GLN 22 H GLN 22 9.482 -31.707 -18.595 168 HA GLN 22 HA GLN 22 9.606 -31.968 -21.491 169 HB2 GLN 22 HB2 GLN 22 11.644 -31.555 -20.052 170 HB3 GLN 22 HB3 GLN 22 11.456 -33.196 -19.447 171 HG2 GLN 22 HG2 GLN 22 12.987 -33.520 -21.108 172 HG3 GLN 22 HG3 GLN 22 11.485 -33.820 -21.981 173 HE21 GLN 22 HE21 GLN 22 14.310 -31.964 -21.801 174 HE22 GLN 22 HE22 GLN 22 13.954 -30.855 -23.076 175 H THR 23 H THR 23 8.909 -33.681 -22.595 176 HA THR 23 HA THR 23 7.948 -36.003 -21.071 177 HB THR 23 HB THR 23 6.536 -36.523 -22.990 178 HG1 THR 23 HG1 THR 23 6.820 -35.576 -24.876 179 HG21 THR 23 HG21 THR 23 5.689 -33.808 -22.962 180 HG22 THR 23 HG22 THR 23 6.309 -34.206 -21.359 181 HG23 THR 23 HG23 THR 23 5.020 -35.176 -22.073 182 H VAL 24 H VAL 24 8.681 -38.030 -21.470 183 HA VAL 24 HA VAL 24 10.521 -38.437 -23.721 184 HB VAL 24 HB VAL 24 11.869 -37.986 -21.688 185 HG11 VAL 24 HG11 VAL 24 9.959 -39.421 -20.365 186 HG12 VAL 24 HG12 VAL 24 11.290 -40.576 -20.459 187 HG13 VAL 24 HG13 VAL 24 11.542 -38.997 -19.715 188 HG21 VAL 24 HG21 VAL 24 12.539 -39.568 -23.571 189 HG22 VAL 24 HG22 VAL 24 13.415 -39.718 -22.048 190 HG23 VAL 24 HG23 VAL 24 12.150 -40.877 -22.456 191 H LYS 25 H LYS 25 10.322 -40.366 -24.721 192 HA LYS 25 HA LYS 25 8.242 -42.166 -23.729 193 HB2 LYS 25 HB2 LYS 25 8.361 -41.210 -26.134 194 HB3 LYS 25 HB3 LYS 25 9.621 -42.411 -26.388 195 HG2 LYS 25 HG2 LYS 25 6.979 -43.239 -25.274 196 HG3 LYS 25 HG3 LYS 25 7.166 -42.963 -27.007 197 HD2 LYS 25 HD2 LYS 25 9.157 -44.535 -26.893 198 HD3 LYS 25 HD3 LYS 25 8.600 -44.961 -25.272 199 HE2 LYS 25 HE2 LYS 25 7.722 -46.581 -26.783 200 HE3 LYS 25 HE3 LYS 25 6.387 -45.546 -26.282 201 HZ1 LYS 25 HZ1 LYS 25 6.039 -44.922 -28.369 202 HZ2 LYS 25 HZ2 LYS 25 7.113 -46.135 -28.854 203 HZ3 LYS 25 HZ3 LYS 25 7.671 -44.554 -28.626 Start of MODEL 18 1 H1 ALA 1 H ALA 1 2.251 2.367 0.552 2 HA ALA 1 HA ALA 1 2.437 3.371 -2.018 3 HB1 ALA 1 HB1 ALA 1 4.520 2.794 -1.452 4 HB2 ALA 1 HB2 ALA 1 3.968 1.515 -0.369 5 HB3 ALA 1 HB3 ALA 1 4.114 1.203 -2.098 6 H MET 2 H MET 2 2.711 2.102 -4.058 7 HA MET 2 HA MET 2 0.604 0.053 -4.252 8 HB2 MET 2 HB2 MET 2 0.559 0.759 -6.708 9 HB3 MET 2 HB3 MET 2 -0.109 1.889 -5.539 10 HG2 MET 2 HG2 MET 2 1.926 3.202 -5.605 11 HG3 MET 2 HG3 MET 2 2.654 2.046 -6.718 12 HE1 MET 2 HE1 MET 2 -0.676 5.035 -7.466 13 HE2 MET 2 HE2 MET 2 0.013 4.488 -5.938 14 HE3 MET 2 HE3 MET 2 0.902 5.629 -6.949 15 H VAL 3 H VAL 3 1.412 -1.923 -4.452 16 HA VAL 3 HA VAL 3 4.072 -2.334 -5.545 17 HB VAL 3 HB VAL 3 3.834 -4.644 -4.845 18 HG11 VAL 3 HG11 VAL 3 2.785 -3.750 -2.384 19 HG12 VAL 3 HG12 VAL 3 4.479 -3.918 -2.849 20 HG13 VAL 3 HG13 VAL 3 3.641 -2.388 -3.106 21 HG21 VAL 3 HG21 VAL 3 1.703 -5.379 -5.194 22 HG22 VAL 3 HG22 VAL 3 1.610 -5.059 -3.463 23 HG23 VAL 3 HG23 VAL 3 0.972 -3.884 -4.612 24 H SER 4 H SER 4 4.554 -3.310 -7.449 25 HA SER 4 HA SER 4 2.282 -4.070 -9.168 26 HB2 SER 4 HB2 SER 4 4.025 -3.446 -11.039 27 HB3 SER 4 HB3 SER 4 3.087 -2.182 -10.246 28 HG SER 4 HG SER 4 5.528 -2.005 -10.444 29 H GLU 5 H GLU 5 3.268 -6.011 -7.592 30 HA GLU 5 HA GLU 5 5.457 -7.451 -8.660 31 HB2 GLU 5 HB2 GLU 5 4.682 -9.302 -7.269 32 HB3 GLU 5 HB3 GLU 5 4.645 -7.791 -6.371 33 HG2 GLU 5 HG2 GLU 5 2.195 -7.648 -6.938 34 HG3 GLU 5 HG3 GLU 5 2.325 -9.303 -7.533 35 H PHE 6 H PHE 6 2.025 -7.428 -9.355 36 HA PHE 6 HA PHE 6 2.211 -9.738 -11.098 37 HB2 PHE 6 HB2 PHE 6 -0.177 -9.442 -11.439 38 HB3 PHE 6 HB3 PHE 6 0.189 -9.345 -9.720 39 HD1 PHE 6 HD1 PHE 6 -0.160 -7.334 -8.488 40 HD2 PHE 6 HD2 PHE 6 -0.770 -7.425 -12.700 41 HE1 PHE 6 HE1 PHE 6 -1.301 -5.157 -8.367 42 HE2 PHE 6 HE2 PHE 6 -1.911 -5.248 -12.585 43 HZ PHE 6 HZ PHE 6 -2.177 -4.111 -10.417 44 H LEU 7 H LEU 7 2.137 -6.259 -11.334 45 HA LEU 7 HA LEU 7 1.700 -6.224 -14.180 46 HB2 LEU 7 HB2 LEU 7 1.020 -4.408 -12.569 47 HB3 LEU 7 HB3 LEU 7 2.727 -3.984 -12.450 48 HG LEU 7 HG LEU 7 1.253 -2.597 -14.011 49 HD11 LEU 7 HD11 LEU 7 3.950 -3.439 -14.165 50 HD12 LEU 7 HD12 LEU 7 3.234 -1.934 -14.743 51 HD13 LEU 7 HD13 LEU 7 3.325 -3.334 -15.812 52 HD21 LEU 7 HD21 LEU 7 1.738 -4.788 -15.988 53 HD22 LEU 7 HD22 LEU 7 0.610 -3.434 -16.070 54 HD23 LEU 7 HD23 LEU 7 0.281 -4.793 -14.994 55 H LYS 8 H LYS 8 4.416 -6.357 -12.035 56 HA LYS 8 HA LYS 8 6.384 -5.436 -13.880 57 HB2 LYS 8 HB2 LYS 8 6.691 -5.453 -11.411 58 HB3 LYS 8 HB3 LYS 8 6.747 -7.210 -11.459 59 HG2 LYS 8 HG2 LYS 8 8.974 -6.152 -11.327 60 HG3 LYS 8 HG3 LYS 8 8.765 -7.172 -12.753 61 HD2 LYS 8 HD2 LYS 8 8.420 -5.247 -14.149 62 HD3 LYS 8 HD3 LYS 8 8.411 -4.177 -12.745 63 HE2 LYS 8 HE2 LYS 8 10.770 -5.881 -13.517 64 HE3 LYS 8 HE3 LYS 8 10.553 -4.221 -14.070 65 HZ1 LYS 8 HZ1 LYS 8 11.301 -5.218 -11.448 66 HZ2 LYS 8 HZ2 LYS 8 10.225 -3.914 -11.451 67 HZ3 LYS 8 HZ3 LYS 8 11.726 -3.774 -12.220 68 H GLN 9 H GLN 9 4.498 -8.136 -13.936 69 HA GLN 9 HA GLN 9 6.449 -9.559 -15.608 70 HB2 GLN 9 HB2 GLN 9 5.945 -11.658 -14.665 71 HB3 GLN 9 HB3 GLN 9 6.163 -10.584 -13.289 72 HG2 GLN 9 HG2 GLN 9 3.542 -10.315 -13.565 73 HG3 GLN 9 HG3 GLN 9 3.715 -11.908 -14.298 74 HE21 GLN 9 HE21 GLN 9 2.606 -12.924 -12.642 75 HE22 GLN 9 HE22 GLN 9 3.286 -13.143 -11.069 76 H ALA 10 H ALA 10 3.126 -8.781 -14.864 77 HA ALA 10 HA ALA 10 1.671 -10.310 -16.587 78 HB1 ALA 10 HB1 ALA 10 0.269 -8.145 -16.913 79 HB2 ALA 10 HB2 ALA 10 0.405 -8.865 -15.308 80 HB3 ALA 10 HB3 ALA 10 1.386 -7.462 -15.731 81 H TRP 11 H TRP 11 3.724 -7.571 -17.398 82 HA TRP 11 HA TRP 11 3.008 -7.821 -20.225 83 HB2 TRP 11 HB2 TRP 11 4.672 -5.764 -18.759 84 HB3 TRP 11 HB3 TRP 11 4.381 -5.753 -20.496 85 HD1 TRP 11 HD1 TRP 11 3.249 -3.913 -17.723 86 HE1 TRP 11 HE1 TRP 11 0.819 -3.098 -17.961 87 HE3 TRP 11 HE3 TRP 11 1.718 -7.013 -21.488 88 HZ2 TRP 11 HZ2 TRP 11 -1.447 -3.691 -19.536 89 HZ3 TRP 11 HZ3 TRP 11 -0.596 -6.826 -22.303 90 HH2 TRP 11 HH2 TRP 11 -2.144 -5.199 -21.345 91 H PHE 12 H PHE 12 5.562 -8.511 -17.990 92 HA PHE 12 HA PHE 12 7.299 -9.331 -20.223 93 HB2 PHE 12 HB2 PHE 12 8.401 -9.087 -17.470 94 HB3 PHE 12 HB3 PHE 12 9.157 -8.733 -19.020 95 HD1 PHE 12 HD1 PHE 12 6.674 -7.467 -16.580 96 HD2 PHE 12 HD2 PHE 12 9.267 -6.545 -19.827 97 HE1 PHE 12 HE1 PHE 12 6.254 -5.068 -16.230 98 HE2 PHE 12 HE2 PHE 12 8.851 -4.145 -19.482 99 HZ PHE 12 HZ PHE 12 7.344 -3.403 -17.681 100 H ILE 13 H ILE 13 7.079 -11.436 -20.600 101 HA ILE 13 HA ILE 13 7.185 -13.273 -18.308 102 HB ILE 13 HB ILE 13 5.699 -14.633 -20.222 103 HG12 ILE 13 HG12 ILE 13 4.626 -11.822 -19.893 104 HG13 ILE 13 HG13 ILE 13 5.274 -12.501 -21.382 105 HG21 ILE 13 HG21 ILE 13 3.870 -14.422 -18.568 106 HG22 ILE 13 HG22 ILE 13 5.418 -14.852 -17.840 107 HG23 ILE 13 HG23 ILE 13 4.817 -13.198 -17.722 108 HD11 ILE 13 HD11 ILE 13 3.451 -14.259 -21.180 109 HD12 ILE 13 HD12 ILE 13 2.735 -13.206 -19.959 110 HD13 ILE 13 HD13 ILE 13 2.954 -12.621 -21.608 111 H GLU 14 H GLU 14 8.785 -14.690 -18.485 112 HA GLU 14 HA GLU 14 10.392 -14.837 -20.834 113 HB2 GLU 14 HB2 GLU 14 10.397 -16.340 -18.224 114 HB3 GLU 14 HB3 GLU 14 11.515 -16.734 -19.522 115 HG2 GLU 14 HG2 GLU 14 12.449 -14.509 -19.445 116 HG3 GLU 14 HG3 GLU 14 11.275 -14.032 -18.220 117 H ASN 15 H ASN 15 10.939 -16.862 -21.950 118 HA ASN 15 HA ASN 15 8.507 -18.392 -22.500 119 HB2 ASN 15 HB2 ASN 15 9.512 -19.000 -24.588 120 HB3 ASN 15 HB3 ASN 15 9.780 -17.273 -24.363 121 HD21 ASN 15 HD21 ASN 15 11.199 -20.215 -25.063 122 HD22 ASN 15 HD22 ASN 15 12.855 -19.755 -24.889 123 H GLU 16 H GLU 16 11.855 -18.801 -21.492 124 HA GLU 16 HA GLU 16 12.057 -21.571 -21.617 125 HB2 GLU 16 HB2 GLU 16 13.830 -21.370 -19.949 126 HB3 GLU 16 HB3 GLU 16 13.965 -20.103 -21.159 127 HG2 GLU 16 HG2 GLU 16 12.719 -18.614 -19.527 128 HG3 GLU 16 HG3 GLU 16 13.009 -19.871 -18.326 129 H GLU 17 H GLU 17 10.598 -19.507 -19.173 130 HA GLU 17 HA GLU 17 9.941 -21.841 -17.534 131 HB2 GLU 17 HB2 GLU 17 10.880 -19.635 -16.593 132 HB3 GLU 17 HB3 GLU 17 9.270 -18.985 -16.869 133 HG2 GLU 17 HG2 GLU 17 9.056 -19.635 -14.706 134 HG3 GLU 17 HG3 GLU 17 8.541 -21.116 -15.511 135 H GLN 18 H GLN 18 8.672 -21.544 -20.078 136 HA GLN 18 HA GLN 18 5.961 -20.659 -19.470 137 HB2 GLN 18 HB2 GLN 18 7.074 -20.075 -21.640 138 HB3 GLN 18 HB3 GLN 18 7.037 -21.782 -22.059 139 HG2 GLN 18 HG2 GLN 18 4.679 -21.809 -22.151 140 HG3 GLN 18 HG3 GLN 18 4.561 -20.227 -21.382 141 HE21 GLN 18 HE21 GLN 18 6.031 -18.566 -22.680 142 HE22 GLN 18 HE22 GLN 18 5.676 -18.511 -24.370 143 H GLU 19 H GLU 19 4.123 -22.033 -19.880 144 HA GLU 19 HA GLU 19 4.304 -24.538 -18.647 145 HB2 GLU 19 HB2 GLU 19 2.167 -23.312 -20.386 146 HB3 GLU 19 HB3 GLU 19 1.978 -24.882 -19.618 147 HG2 GLU 19 HG2 GLU 19 1.980 -23.964 -17.470 148 HG3 GLU 19 HG3 GLU 19 2.654 -22.435 -18.030 149 H TYR 20 H TYR 20 5.204 -26.331 -19.390 150 HA TYR 20 HA TYR 20 4.599 -27.305 -22.035 151 HB2 TYR 20 HB2 TYR 20 7.305 -26.251 -21.322 152 HB3 TYR 20 HB3 TYR 20 7.193 -27.660 -22.372 153 HD1 TYR 20 HD1 TYR 20 5.601 -27.414 -24.431 154 HD2 TYR 20 HD2 TYR 20 7.210 -24.130 -22.256 155 HE1 TYR 20 HE1 TYR 20 5.206 -25.948 -26.365 156 HE2 TYR 20 HE2 TYR 20 6.818 -22.654 -24.183 157 HH TYR 20 HH TYR 20 4.841 -23.422 -26.716 158 H VAL 21 H VAL 21 4.770 -29.502 -22.184 159 HA VAL 21 HA VAL 21 5.097 -30.943 -19.714 160 HB VAL 21 HB VAL 21 4.560 -32.950 -21.088 161 HG11 VAL 21 HG11 VAL 21 2.859 -31.362 -20.027 162 HG12 VAL 21 HG12 VAL 21 2.577 -30.771 -21.666 163 HG13 VAL 21 HG13 VAL 21 2.277 -32.465 -21.273 164 HG21 VAL 21 HG21 VAL 21 5.336 -31.259 -23.210 165 HG22 VAL 21 HG22 VAL 21 4.784 -32.932 -23.298 166 HG23 VAL 21 HG23 VAL 21 3.622 -31.612 -23.430 167 H GLN 22 H GLN 22 6.657 -32.452 -19.202 168 HA GLN 22 HA GLN 22 9.185 -32.141 -20.610 169 HB2 GLN 22 HB2 GLN 22 8.866 -32.055 -18.052 170 HB3 GLN 22 HB3 GLN 22 8.749 -33.807 -18.145 171 HG2 GLN 22 HG2 GLN 22 10.978 -33.805 -19.282 172 HG3 GLN 22 HG3 GLN 22 11.089 -32.085 -18.914 173 HE21 GLN 22 HE21 GLN 22 12.799 -34.246 -18.028 174 HE22 GLN 22 HE22 GLN 22 12.740 -34.243 -16.302 175 H THR 23 H THR 23 9.727 -33.489 -22.178 176 HA THR 23 HA THR 23 8.368 -36.008 -22.528 177 HB THR 23 HB THR 23 8.966 -34.580 -24.465 178 HG1 THR 23 HG1 THR 23 8.727 -36.576 -25.207 179 HG21 THR 23 HG21 THR 23 11.070 -33.936 -24.965 180 HG22 THR 23 HG22 THR 23 11.765 -35.483 -24.482 181 HG23 THR 23 HG23 THR 23 11.383 -34.269 -23.262 182 H VAL 24 H VAL 24 9.337 -38.064 -22.571 183 HA VAL 24 HA VAL 24 11.952 -38.251 -21.224 184 HB VAL 24 HB VAL 24 9.597 -40.084 -20.752 185 HG11 VAL 24 HG11 VAL 24 11.020 -40.992 -18.939 186 HG12 VAL 24 HG12 VAL 24 11.693 -41.261 -20.548 187 HG13 VAL 24 HG13 VAL 24 12.347 -39.987 -19.519 188 HG21 VAL 24 HG21 VAL 24 9.002 -38.158 -19.612 189 HG22 VAL 24 HG22 VAL 24 9.876 -39.069 -18.380 190 HG23 VAL 24 HG23 VAL 24 10.673 -37.745 -19.229 191 H LYS 25 H LYS 25 13.389 -39.636 -22.091 192 HA LYS 25 HA LYS 25 12.490 -41.239 -24.391 193 HB2 LYS 25 HB2 LYS 25 14.128 -39.422 -24.870 194 HB3 LYS 25 HB3 LYS 25 15.275 -40.220 -23.802 195 HG2 LYS 25 HG2 LYS 25 15.340 -42.151 -25.250 196 HG3 LYS 25 HG3 LYS 25 14.100 -41.446 -26.290 197 HD2 LYS 25 HD2 LYS 25 15.569 -39.684 -26.964 198 HD3 LYS 25 HD3 LYS 25 16.772 -40.153 -25.760 199 HE2 LYS 25 HE2 LYS 25 16.931 -42.366 -26.956 200 HE3 LYS 25 HE3 LYS 25 15.947 -41.658 -28.235 201 HZ1 LYS 25 HZ1 LYS 25 18.614 -41.573 -28.181 202 HZ2 LYS 25 HZ2 LYS 25 18.253 -40.095 -27.441 203 HZ3 LYS 25 HZ3 LYS 25 17.654 -40.435 -28.986 Start of MODEL 19 1 H1 ALA 1 H ALA 1 2.324 5.377 -0.347 2 HA ALA 1 HA ALA 1 2.633 5.907 -2.966 3 HB1 ALA 1 HB1 ALA 1 4.677 5.150 -2.562 4 HB2 ALA 1 HB2 ALA 1 4.105 4.488 -1.030 5 HB3 ALA 1 HB3 ALA 1 4.082 3.491 -2.485 6 H MET 2 H MET 2 2.886 4.478 -4.874 7 HA MET 2 HA MET 2 0.730 2.472 -4.950 8 HB2 MET 2 HB2 MET 2 0.758 2.977 -7.457 9 HB3 MET 2 HB3 MET 2 0.089 4.211 -6.398 10 HG2 MET 2 HG2 MET 2 2.043 5.544 -6.576 11 HG3 MET 2 HG3 MET 2 2.926 4.250 -7.383 12 HE1 MET 2 HE1 MET 2 -0.920 5.762 -8.781 13 HE2 MET 2 HE2 MET 2 -0.107 6.313 -7.316 14 HE3 MET 2 HE3 MET 2 0.006 7.263 -8.798 15 H VAL 3 H VAL 3 1.446 0.456 -5.043 16 HA VAL 3 HA VAL 3 4.125 -0.097 -6.054 17 HB VAL 3 HB VAL 3 3.852 -2.324 -5.126 18 HG11 VAL 3 HG11 VAL 3 3.416 -1.673 -2.717 19 HG12 VAL 3 HG12 VAL 3 4.662 -0.752 -3.561 20 HG13 VAL 3 HG13 VAL 3 3.060 -0.054 -3.319 21 HG21 VAL 3 HG21 VAL 3 1.782 -2.879 -3.850 22 HG22 VAL 3 HG22 VAL 3 1.031 -1.438 -4.536 23 HG23 VAL 3 HG23 VAL 3 1.541 -2.754 -5.593 24 H SER 4 H SER 4 4.571 -1.237 -7.867 25 HA SER 4 HA SER 4 2.273 -2.011 -9.538 26 HB2 SER 4 HB2 SER 4 4.168 -1.885 -11.372 27 HB3 SER 4 HB3 SER 4 3.366 -0.419 -10.810 28 HG SER 4 HG SER 4 5.187 0.237 -9.998 29 H GLU 5 H GLU 5 2.820 -3.881 -7.748 30 HA GLU 5 HA GLU 5 4.852 -5.725 -8.462 31 HB2 GLU 5 HB2 GLU 5 3.753 -7.259 -6.935 32 HB3 GLU 5 HB3 GLU 5 3.814 -5.652 -6.224 33 HG2 GLU 5 HG2 GLU 5 1.426 -5.431 -7.268 34 HG3 GLU 5 HG3 GLU 5 1.477 -7.193 -7.232 35 H PHE 6 H PHE 6 1.497 -5.328 -9.406 36 HA PHE 6 HA PHE 6 1.447 -7.821 -10.875 37 HB2 PHE 6 HB2 PHE 6 -0.834 -7.220 -11.454 38 HB3 PHE 6 HB3 PHE 6 -0.578 -6.957 -9.732 39 HD1 PHE 6 HD1 PHE 6 -0.658 -4.763 -8.784 40 HD2 PHE 6 HD2 PHE 6 -1.043 -5.327 -12.985 41 HE1 PHE 6 HE1 PHE 6 -1.445 -2.444 -9.020 42 HE2 PHE 6 HE2 PHE 6 -1.830 -3.009 -13.228 43 HZ PHE 6 HZ PHE 6 -2.032 -1.564 -11.244 44 H LEU 7 H LEU 7 1.916 -4.419 -11.512 45 HA LEU 7 HA LEU 7 1.710 -4.692 -14.372 46 HB2 LEU 7 HB2 LEU 7 1.176 -2.610 -13.052 47 HB3 LEU 7 HB3 LEU 7 2.912 -2.405 -12.827 48 HG LEU 7 HG LEU 7 1.772 -1.048 -14.670 49 HD11 LEU 7 HD11 LEU 7 3.879 -0.750 -15.281 50 HD12 LEU 7 HD12 LEU 7 3.850 -2.272 -16.171 51 HD13 LEU 7 HD13 LEU 7 4.326 -2.253 -14.473 52 HD21 LEU 7 HD21 LEU 7 0.578 -3.207 -15.475 53 HD22 LEU 7 HD22 LEU 7 2.093 -3.520 -16.323 54 HD23 LEU 7 HD23 LEU 7 1.177 -2.052 -16.667 55 H LYS 8 H LYS 8 4.198 -4.926 -11.979 56 HA LYS 8 HA LYS 8 6.418 -4.516 -13.722 57 HB2 LYS 8 HB2 LYS 8 6.036 -5.520 -10.942 58 HB3 LYS 8 HB3 LYS 8 7.550 -5.898 -11.753 59 HG2 LYS 8 HG2 LYS 8 6.547 -3.085 -11.696 60 HG3 LYS 8 HG3 LYS 8 7.367 -3.768 -10.290 61 HD2 LYS 8 HD2 LYS 8 9.362 -4.105 -11.482 62 HD3 LYS 8 HD3 LYS 8 8.560 -3.917 -13.044 63 HE2 LYS 8 HE2 LYS 8 9.903 -1.951 -12.476 64 HE3 LYS 8 HE3 LYS 8 8.189 -1.555 -12.584 65 HZ1 LYS 8 HZ1 LYS 8 8.012 -1.415 -10.266 66 HZ2 LYS 8 HZ2 LYS 8 9.452 -0.607 -10.633 67 HZ3 LYS 8 HZ3 LYS 8 9.501 -2.177 -10.005 68 H GLN 9 H GLN 9 4.169 -6.915 -13.659 69 HA GLN 9 HA GLN 9 6.018 -8.793 -14.954 70 HB2 GLN 9 HB2 GLN 9 5.148 -10.666 -13.824 71 HB3 GLN 9 HB3 GLN 9 5.407 -9.463 -12.568 72 HG2 GLN 9 HG2 GLN 9 2.903 -8.872 -13.045 73 HG3 GLN 9 HG3 GLN 9 2.862 -10.508 -13.699 74 HE21 GLN 9 HE21 GLN 9 4.583 -11.798 -11.992 75 HE22 GLN 9 HE22 GLN 9 3.906 -11.827 -10.403 76 H ALA 10 H ALA 10 2.793 -7.492 -14.620 77 HA ALA 10 HA ALA 10 1.272 -9.020 -16.284 78 HB1 ALA 10 HB1 ALA 10 0.232 -6.739 -16.991 79 HB2 ALA 10 HB2 ALA 10 0.123 -7.273 -15.313 80 HB3 ALA 10 HB3 ALA 10 1.332 -6.077 -15.782 81 H TRP 11 H TRP 11 3.752 -6.705 -17.210 82 HA TRP 11 HA TRP 11 3.226 -7.214 -20.043 83 HB2 TRP 11 HB2 TRP 11 5.052 -5.229 -18.674 84 HB3 TRP 11 HB3 TRP 11 4.902 -5.400 -20.421 85 HD1 TRP 11 HD1 TRP 11 3.837 -3.087 -17.997 86 HE1 TRP 11 HE1 TRP 11 1.576 -1.991 -18.556 87 HE3 TRP 11 HE3 TRP 11 2.169 -6.409 -21.507 88 HZ2 TRP 11 HZ2 TRP 11 -0.623 -2.471 -20.259 89 HZ3 TRP 11 HZ3 TRP 11 -0.024 -6.018 -22.553 90 HH2 TRP 11 HH2 TRP 11 -1.390 -4.089 -21.940 91 H PHE 12 H PHE 12 5.481 -7.942 -17.515 92 HA PHE 12 HA PHE 12 7.244 -9.270 -19.466 93 HB2 PHE 12 HB2 PHE 12 8.164 -8.824 -16.674 94 HB3 PHE 12 HB3 PHE 12 9.073 -8.770 -18.180 95 HD1 PHE 12 HD1 PHE 12 9.540 -6.736 -19.227 96 HD2 PHE 12 HD2 PHE 12 6.632 -6.891 -16.123 97 HE1 PHE 12 HE1 PHE 12 9.445 -4.277 -19.198 98 HE2 PHE 12 HE2 PHE 12 6.531 -4.433 -16.090 99 HZ PHE 12 HZ PHE 12 7.938 -3.123 -17.629 100 H ILE 13 H ILE 13 6.754 -11.358 -19.611 101 HA ILE 13 HA ILE 13 6.421 -12.880 -17.118 102 HB ILE 13 HB ILE 13 4.907 -14.263 -18.997 103 HG12 ILE 13 HG12 ILE 13 4.220 -11.316 -19.076 104 HG13 ILE 13 HG13 ILE 13 4.872 -12.251 -20.418 105 HG21 ILE 13 HG21 ILE 13 4.424 -14.151 -16.638 106 HG22 ILE 13 HG22 ILE 13 4.053 -12.432 -16.760 107 HG23 ILE 13 HG23 ILE 13 3.009 -13.617 -17.546 108 HD11 ILE 13 HD11 ILE 13 2.505 -11.957 -20.699 109 HD12 ILE 13 HD12 ILE 13 2.848 -13.656 -20.371 110 HD13 ILE 13 HD13 ILE 13 2.195 -12.626 -19.097 111 H GLU 14 H GLU 14 8.189 -14.111 -17.031 112 HA GLU 14 HA GLU 14 9.444 -15.113 -19.437 113 HB2 GLU 14 HB2 GLU 14 11.154 -15.998 -17.937 114 HB3 GLU 14 HB3 GLU 14 10.825 -14.309 -17.578 115 HG2 GLU 14 HG2 GLU 14 9.411 -14.997 -15.696 116 HG3 GLU 14 HG3 GLU 14 9.789 -16.683 -16.045 117 H ASN 15 H ASN 15 9.468 -17.190 -20.156 118 HA ASN 15 HA ASN 15 7.847 -19.140 -18.654 119 HB2 ASN 15 HB2 ASN 15 8.059 -19.082 -21.662 120 HB3 ASN 15 HB3 ASN 15 6.904 -19.967 -20.670 121 HD21 ASN 15 HD21 ASN 15 5.032 -19.027 -20.129 122 HD22 ASN 15 HD22 ASN 15 4.596 -17.402 -20.525 123 H GLU 16 H GLU 16 10.257 -19.359 -17.886 124 HA GLU 16 HA GLU 16 11.799 -21.075 -19.678 125 HB2 GLU 16 HB2 GLU 16 13.081 -19.355 -18.609 126 HB3 GLU 16 HB3 GLU 16 12.450 -19.789 -17.027 127 HG2 GLU 16 HG2 GLU 16 13.723 -21.745 -16.925 128 HG3 GLU 16 HG3 GLU 16 14.057 -21.722 -18.656 129 H GLU 17 H GLU 17 10.195 -21.146 -16.533 130 HA GLU 17 HA GLU 17 10.809 -23.989 -16.246 131 HB2 GLU 17 HB2 GLU 17 9.676 -21.912 -14.389 132 HB3 GLU 17 HB3 GLU 17 9.573 -23.626 -14.012 133 HG2 GLU 17 HG2 GLU 17 11.877 -23.846 -13.798 134 HG3 GLU 17 HG3 GLU 17 12.197 -22.355 -14.682 135 H GLN 18 H GLN 18 9.035 -23.188 -18.340 136 HA GLN 18 HA GLN 18 6.339 -23.728 -17.478 137 HB2 GLN 18 HB2 GLN 18 7.625 -22.710 -19.841 138 HB3 GLN 18 HB3 GLN 18 6.512 -23.999 -20.279 139 HG2 GLN 18 HG2 GLN 18 5.866 -21.494 -18.745 140 HG3 GLN 18 HG3 GLN 18 5.372 -21.896 -20.389 141 HE21 GLN 18 HE21 GLN 18 3.938 -23.726 -20.662 142 HE22 GLN 18 HE22 GLN 18 2.804 -24.106 -19.415 143 H GLU 19 H GLU 19 5.488 -25.673 -17.193 144 HA GLU 19 HA GLU 19 6.903 -28.060 -17.614 145 HB2 GLU 19 HB2 GLU 19 4.809 -29.197 -17.045 146 HB3 GLU 19 HB3 GLU 19 5.127 -27.861 -15.946 147 HG2 GLU 19 HG2 GLU 19 3.476 -27.205 -18.288 148 HG3 GLU 19 HG3 GLU 19 2.753 -28.322 -17.131 149 H TYR 20 H TYR 20 6.404 -29.831 -19.034 150 HA TYR 20 HA TYR 20 4.685 -29.593 -21.262 151 HB2 TYR 20 HB2 TYR 20 7.359 -28.447 -21.537 152 HB3 TYR 20 HB3 TYR 20 7.013 -29.672 -22.753 153 HD1 TYR 20 HD1 TYR 20 6.882 -26.277 -22.131 154 HD2 TYR 20 HD2 TYR 20 4.499 -29.407 -23.752 155 HE1 TYR 20 HE1 TYR 20 5.599 -24.623 -23.421 156 HE2 TYR 20 HE2 TYR 20 3.210 -27.761 -25.048 157 HH TYR 20 HH TYR 20 3.479 -25.493 -25.931 158 H VAL 21 H VAL 21 5.573 -31.243 -23.073 159 HA VAL 21 HA VAL 21 6.011 -33.729 -21.608 160 HB VAL 21 HB VAL 21 5.475 -34.823 -23.790 161 HG11 VAL 21 HG11 VAL 21 3.296 -34.805 -23.253 162 HG12 VAL 21 HG12 VAL 21 3.800 -33.760 -21.923 163 HG13 VAL 21 HG13 VAL 21 3.169 -33.054 -23.412 164 HG21 VAL 21 HG21 VAL 21 5.904 -32.208 -24.776 165 HG22 VAL 21 HG22 VAL 21 5.481 -33.660 -25.683 166 HG23 VAL 21 HG23 VAL 21 4.210 -32.608 -25.062 167 H GLN 22 H GLN 22 7.934 -34.671 -21.510 168 HA GLN 22 HA GLN 22 10.077 -33.721 -23.248 169 HB2 GLN 22 HB2 GLN 22 11.593 -34.786 -21.701 170 HB3 GLN 22 HB3 GLN 22 10.432 -33.827 -20.794 171 HG2 GLN 22 HG2 GLN 22 9.150 -35.878 -20.324 172 HG3 GLN 22 HG3 GLN 22 10.385 -36.813 -21.164 173 HE21 GLN 22 HE21 GLN 22 10.693 -37.976 -19.206 174 HE22 GLN 22 HE22 GLN 22 11.637 -37.306 -17.924 175 H THR 23 H THR 23 10.910 -34.874 -24.869 176 HA THR 23 HA THR 23 9.880 -37.590 -25.290 177 HB THR 23 HB THR 23 10.563 -37.328 -27.629 178 HG1 THR 23 HG1 THR 23 12.176 -35.942 -27.833 179 HG21 THR 23 HG21 THR 23 9.152 -34.779 -27.286 180 HG22 THR 23 HG22 THR 23 8.428 -36.132 -26.416 181 HG23 THR 23 HG23 THR 23 8.670 -36.233 -28.159 182 H VAL 24 H VAL 24 11.227 -38.953 -24.225 183 HA VAL 24 HA VAL 24 14.115 -38.712 -24.745 184 HB VAL 24 HB VAL 24 13.601 -38.650 -22.381 185 HG11 VAL 24 HG11 VAL 24 12.664 -41.323 -21.956 186 HG12 VAL 24 HG12 VAL 24 11.924 -39.794 -21.479 187 HG13 VAL 24 HG13 VAL 24 11.581 -40.484 -23.065 188 HG21 VAL 24 HG21 VAL 24 15.101 -40.302 -21.630 189 HG22 VAL 24 HG22 VAL 24 14.668 -41.406 -22.936 190 HG23 VAL 24 HG23 VAL 24 15.595 -39.947 -23.285 191 H LYS 25 H LYS 25 15.158 -40.263 -25.838 192 HA LYS 25 HA LYS 25 13.670 -42.725 -26.484 193 HB2 LYS 25 HB2 LYS 25 14.019 -41.143 -28.401 194 HB3 LYS 25 HB3 LYS 25 15.752 -41.374 -28.210 195 HG2 LYS 25 HG2 LYS 25 15.264 -43.868 -28.510 196 HG3 LYS 25 HG3 LYS 25 13.685 -43.349 -29.107 197 HD2 LYS 25 HD2 LYS 25 14.580 -42.330 -30.976 198 HD3 LYS 25 HD3 LYS 25 16.163 -42.111 -30.227 199 HE2 LYS 25 HE2 LYS 25 15.131 -44.865 -30.761 200 HE3 LYS 25 HE3 LYS 25 15.830 -43.920 -32.075 201 HZ1 LYS 25 HZ1 LYS 25 17.121 -45.108 -29.752 202 HZ2 LYS 25 HZ2 LYS 25 17.699 -43.595 -30.238 203 HZ3 LYS 25 HZ3 LYS 25 17.707 -44.891 -31.324 Start of MODEL 20 1 H1 ALA 1 H ALA 1 -0.461 0.399 0.320 2 HA ALA 1 HA ALA 1 0.177 2.550 -1.587 3 HB1 ALA 1 HB1 ALA 1 2.143 0.366 -1.346 4 HB2 ALA 1 HB2 ALA 1 2.387 2.093 -1.611 5 HB3 ALA 1 HB3 ALA 1 2.060 1.488 0.012 6 H MET 2 H MET 2 0.817 1.677 -3.760 7 HA MET 2 HA MET 2 -0.851 -0.662 -4.403 8 HB2 MET 2 HB2 MET 2 -0.845 0.353 -6.743 9 HB3 MET 2 HB3 MET 2 -1.773 1.200 -5.513 10 HG2 MET 2 HG2 MET 2 0.092 2.772 -5.217 11 HG3 MET 2 HG3 MET 2 0.973 1.939 -6.496 12 HE1 MET 2 HE1 MET 2 0.392 4.215 -9.159 13 HE2 MET 2 HE2 MET 2 0.749 5.003 -7.622 14 HE3 MET 2 HE3 MET 2 1.461 3.432 -7.995 15 H VAL 3 H VAL 3 0.307 -2.432 -4.756 16 HA VAL 3 HA VAL 3 3.061 -2.227 -5.685 17 HB VAL 3 HB VAL 3 3.227 -4.610 -5.215 18 HG11 VAL 3 HG11 VAL 3 2.006 -2.883 -3.085 19 HG12 VAL 3 HG12 VAL 3 2.577 -4.517 -2.745 20 HG13 VAL 3 HG13 VAL 3 3.702 -3.293 -3.336 21 HG21 VAL 3 HG21 VAL 3 1.046 -5.480 -3.932 22 HG22 VAL 3 HG22 VAL 3 0.279 -4.388 -5.085 23 HG23 VAL 3 HG23 VAL 3 1.293 -5.710 -5.663 24 H SER 4 H SER 4 3.851 -3.251 -7.539 25 HA SER 4 HA SER 4 1.794 -3.964 -9.526 26 HB2 SER 4 HB2 SER 4 3.709 -3.226 -11.169 27 HB3 SER 4 HB3 SER 4 2.679 -2.010 -10.412 28 HG SER 4 HG SER 4 4.313 -1.340 -9.232 29 H GLU 5 H GLU 5 2.673 -5.954 -7.920 30 HA GLU 5 HA GLU 5 4.978 -7.314 -8.825 31 HB2 GLU 5 HB2 GLU 5 4.061 -9.256 -7.627 32 HB3 GLU 5 HB3 GLU 5 3.984 -7.793 -6.654 33 HG2 GLU 5 HG2 GLU 5 1.572 -7.603 -7.564 34 HG3 GLU 5 HG3 GLU 5 1.767 -9.309 -7.961 35 H PHE 6 H PHE 6 1.608 -7.382 -9.819 36 HA PHE 6 HA PHE 6 2.073 -9.559 -11.683 37 HB2 PHE 6 HB2 PHE 6 -0.322 -9.286 -12.236 38 HB3 PHE 6 HB3 PHE 6 -0.059 -9.492 -10.507 39 HD1 PHE 6 HD1 PHE 6 -0.584 -7.759 -8.958 40 HD2 PHE 6 HD2 PHE 6 -0.943 -7.096 -13.147 41 HE1 PHE 6 HE1 PHE 6 -1.840 -5.690 -8.519 42 HE2 PHE 6 HE2 PHE 6 -2.199 -5.025 -12.714 43 HZ PHE 6 HZ PHE 6 -2.649 -4.319 -10.398 44 H LEU 7 H LEU 7 1.829 -6.087 -11.688 45 HA LEU 7 HA LEU 7 1.543 -5.852 -14.540 46 HB2 LEU 7 HB2 LEU 7 0.728 -4.183 -12.835 47 HB3 LEU 7 HB3 LEU 7 2.413 -3.720 -12.602 48 HG LEU 7 HG LEU 7 0.965 -2.266 -14.129 49 HD11 LEU 7 HD11 LEU 7 3.147 -2.789 -15.869 50 HD12 LEU 7 HD12 LEU 7 3.697 -3.012 -14.209 51 HD13 LEU 7 HD13 LEU 7 2.958 -1.486 -14.696 52 HD21 LEU 7 HD21 LEU 7 1.629 -4.280 -16.237 53 HD22 LEU 7 HD22 LEU 7 0.453 -2.965 -16.272 54 HD23 LEU 7 HD23 LEU 7 0.128 -4.415 -15.321 55 H LYS 8 H LYS 8 4.154 -6.094 -12.285 56 HA LYS 8 HA LYS 8 6.179 -4.970 -13.947 57 HB2 LYS 8 HB2 LYS 8 7.748 -5.876 -12.343 58 HB3 LYS 8 HB3 LYS 8 6.388 -5.164 -11.486 59 HG2 LYS 8 HG2 LYS 8 5.682 -7.152 -10.669 60 HG3 LYS 8 HG3 LYS 8 6.211 -8.051 -12.093 61 HD2 LYS 8 HD2 LYS 8 7.674 -8.769 -10.430 62 HD3 LYS 8 HD3 LYS 8 8.597 -7.520 -11.269 63 HE2 LYS 8 HE2 LYS 8 7.551 -5.944 -9.472 64 HE3 LYS 8 HE3 LYS 8 7.300 -7.442 -8.577 65 HZ1 LYS 8 HZ1 LYS 8 9.369 -6.626 -7.888 66 HZ2 LYS 8 HZ2 LYS 8 9.861 -6.254 -9.463 67 HZ3 LYS 8 HZ3 LYS 8 9.743 -7.869 -8.973 68 H GLN 9 H GLN 9 4.377 -7.696 -14.327 69 HA GLN 9 HA GLN 9 6.448 -8.928 -16.004 70 HB2 GLN 9 HB2 GLN 9 5.972 -11.108 -15.257 71 HB3 GLN 9 HB3 GLN 9 6.080 -10.145 -13.789 72 HG2 GLN 9 HG2 GLN 9 3.497 -9.930 -14.088 73 HG3 GLN 9 HG3 GLN 9 3.694 -11.374 -15.080 74 HE21 GLN 9 HE21 GLN 9 4.579 -13.261 -14.101 75 HE22 GLN 9 HE22 GLN 9 4.433 -13.515 -12.399 76 H ALA 10 H ALA 10 3.072 -8.303 -15.364 77 HA ALA 10 HA ALA 10 1.745 -9.723 -17.272 78 HB1 ALA 10 HB1 ALA 10 1.339 -6.973 -16.187 79 HB2 ALA 10 HB2 ALA 10 0.309 -7.557 -17.495 80 HB3 ALA 10 HB3 ALA 10 0.365 -8.427 -15.962 81 H TRP 11 H TRP 11 3.752 -6.876 -17.762 82 HA TRP 11 HA TRP 11 3.176 -6.916 -20.631 83 HB2 TRP 11 HB2 TRP 11 4.706 -4.941 -18.927 84 HB3 TRP 11 HB3 TRP 11 4.499 -4.797 -20.670 85 HD1 TRP 11 HD1 TRP 11 3.180 -3.218 -17.819 86 HE1 TRP 11 HE1 TRP 11 0.741 -2.450 -18.114 87 HE3 TRP 11 HE3 TRP 11 1.926 -6.043 -21.891 88 HZ2 TRP 11 HZ2 TRP 11 -1.428 -2.974 -19.842 89 HZ3 TRP 11 HZ3 TRP 11 -0.352 -5.852 -22.803 90 HH2 TRP 11 HH2 TRP 11 -1.992 -4.348 -21.798 91 H PHE 12 H PHE 12 5.647 -7.707 -18.334 92 HA PHE 12 HA PHE 12 7.510 -8.300 -20.536 93 HB2 PHE 12 HB2 PHE 12 8.472 -8.254 -17.722 94 HB3 PHE 12 HB3 PHE 12 9.290 -7.753 -19.198 95 HD1 PHE 12 HD1 PHE 12 6.666 -6.760 -16.780 96 HD2 PHE 12 HD2 PHE 12 9.359 -5.504 -19.827 97 HE1 PHE 12 HE1 PHE 12 6.155 -4.410 -16.258 98 HE2 PHE 12 HE2 PHE 12 8.854 -3.152 -19.309 99 HZ PHE 12 HZ PHE 12 7.251 -2.603 -17.522 100 H ILE 13 H ILE 13 7.373 -10.372 -21.092 101 HA ILE 13 HA ILE 13 7.426 -12.388 -18.953 102 HB ILE 13 HB ILE 13 6.074 -13.623 -21.044 103 HG12 ILE 13 HG12 ILE 13 4.901 -10.880 -20.535 104 HG13 ILE 13 HG13 ILE 13 5.636 -11.414 -22.042 105 HG21 ILE 13 HG21 ILE 13 4.166 -13.604 -19.469 106 HG22 ILE 13 HG22 ILE 13 5.691 -14.049 -18.704 107 HG23 ILE 13 HG23 ILE 13 5.033 -12.429 -18.480 108 HD11 ILE 13 HD11 ILE 13 3.748 -13.327 -21.648 109 HD12 ILE 13 HD12 ILE 13 2.963 -11.897 -20.977 110 HD13 ILE 13 HD13 ILE 13 3.542 -11.886 -22.642 111 H GLU 14 H GLU 14 9.312 -13.397 -19.137 112 HA GLU 14 HA GLU 14 10.539 -13.720 -21.768 113 HB2 GLU 14 HB2 GLU 14 11.577 -14.083 -18.961 114 HB3 GLU 14 HB3 GLU 14 12.496 -14.567 -20.379 115 HG2 GLU 14 HG2 GLU 14 11.476 -11.774 -19.958 116 HG3 GLU 14 HG3 GLU 14 13.063 -12.320 -19.418 117 H ASN 15 H ASN 15 10.655 -15.608 -22.814 118 HA ASN 15 HA ASN 15 9.465 -17.953 -21.531 119 HB2 ASN 15 HB2 ASN 15 8.833 -16.968 -23.889 120 HB3 ASN 15 HB3 ASN 15 10.240 -17.884 -24.423 121 HD21 ASN 15 HD21 ASN 15 6.965 -17.997 -23.572 122 HD22 ASN 15 HD22 ASN 15 6.750 -19.709 -23.670 123 H GLU 16 H GLU 16 11.995 -17.341 -20.606 124 HA GLU 16 HA GLU 16 13.859 -19.092 -22.010 125 HB2 GLU 16 HB2 GLU 16 14.131 -17.106 -19.774 126 HB3 GLU 16 HB3 GLU 16 15.396 -18.288 -20.078 127 HG2 GLU 16 HG2 GLU 16 14.358 -16.429 -22.195 128 HG3 GLU 16 HG3 GLU 16 15.706 -16.025 -21.133 129 H GLU 17 H GLU 17 12.203 -18.822 -18.900 130 HA GLU 17 HA GLU 17 13.052 -21.577 -18.285 131 HB2 GLU 17 HB2 GLU 17 13.734 -19.629 -16.732 132 HB3 GLU 17 HB3 GLU 17 12.048 -19.621 -16.235 133 HG2 GLU 17 HG2 GLU 17 13.458 -20.910 -14.712 134 HG3 GLU 17 HG3 GLU 17 12.219 -21.906 -15.475 135 H GLN 18 H GLN 18 10.838 -20.939 -19.976 136 HA GLN 18 HA GLN 18 8.369 -20.978 -18.639 137 HB2 GLN 18 HB2 GLN 18 9.024 -20.640 -21.187 138 HB3 GLN 18 HB3 GLN 18 8.655 -22.357 -21.267 139 HG2 GLN 18 HG2 GLN 18 6.607 -21.529 -21.756 140 HG3 GLN 18 HG3 GLN 18 6.471 -21.575 -19.999 141 HE21 GLN 18 HE21 GLN 18 4.949 -19.919 -21.688 142 HE22 GLN 18 HE22 GLN 18 5.349 -18.277 -21.333 143 H GLU 19 H GLU 19 6.906 -22.680 -18.244 144 HA GLU 19 HA GLU 19 8.132 -25.067 -17.272 145 HB2 GLU 19 HB2 GLU 19 5.201 -24.389 -17.579 146 HB3 GLU 19 HB3 GLU 19 5.849 -25.732 -16.648 147 HG2 GLU 19 HG2 GLU 19 6.979 -24.160 -15.161 148 HG3 GLU 19 HG3 GLU 19 6.330 -22.812 -16.094 149 H TYR 20 H TYR 20 8.710 -26.727 -18.492 150 HA TYR 20 HA TYR 20 6.882 -27.767 -20.493 151 HB2 TYR 20 HB2 TYR 20 9.488 -26.481 -21.145 152 HB3 TYR 20 HB3 TYR 20 9.054 -27.940 -22.030 153 HD1 TYR 20 HD1 TYR 20 8.903 -24.476 -22.110 154 HD2 TYR 20 HD2 TYR 20 6.497 -27.896 -22.893 155 HE1 TYR 20 HE1 TYR 20 7.498 -23.134 -23.617 156 HE2 TYR 20 HE2 TYR 20 5.086 -26.564 -24.404 157 HH TYR 20 HH TYR 20 4.497 -24.119 -24.693 158 H VAL 21 H VAL 21 6.962 -29.938 -20.618 159 HA VAL 21 HA VAL 21 8.718 -31.340 -18.804 160 HB VAL 21 HB VAL 21 7.465 -33.350 -19.453 161 HG11 VAL 21 HG11 VAL 21 6.327 -32.473 -17.708 162 HG12 VAL 21 HG12 VAL 21 6.163 -30.890 -18.470 163 HG13 VAL 21 HG13 VAL 21 5.090 -32.210 -18.936 164 HG21 VAL 21 HG21 VAL 21 6.892 -31.841 -21.771 165 HG22 VAL 21 HG22 VAL 21 6.418 -33.500 -21.406 166 HG23 VAL 21 HG23 VAL 21 5.357 -32.162 -20.963 167 H GLN 22 H GLN 22 10.222 -32.923 -19.347 168 HA GLN 22 HA GLN 22 11.460 -32.556 -21.947 169 HB2 GLN 22 HB2 GLN 22 12.913 -32.543 -20.014 170 HB3 GLN 22 HB3 GLN 22 12.315 -34.117 -19.506 171 HG2 GLN 22 HG2 GLN 22 13.434 -35.232 -21.215 172 HG3 GLN 22 HG3 GLN 22 13.658 -33.757 -22.155 173 HE21 GLN 22 HE21 GLN 22 15.263 -32.285 -21.535 174 HE22 GLN 22 HE22 GLN 22 16.573 -32.754 -20.511 175 H THR 23 H THR 23 11.432 -33.975 -23.585 176 HA THR 23 HA THR 23 9.549 -36.065 -23.647 177 HB THR 23 HB THR 23 11.715 -36.323 -25.604 178 HG1 THR 23 HG1 THR 23 10.198 -33.932 -25.719 179 HG21 THR 23 HG21 THR 23 9.047 -35.473 -26.469 180 HG22 THR 23 HG22 THR 23 9.052 -36.930 -25.476 181 HG23 THR 23 HG23 THR 23 10.005 -36.869 -26.959 182 H VAL 24 H VAL 24 9.658 -38.092 -22.948 183 HA VAL 24 HA VAL 24 12.316 -39.291 -22.516 184 HB VAL 24 HB VAL 24 11.344 -38.790 -20.357 185 HG11 VAL 24 HG11 VAL 24 8.987 -40.482 -21.176 186 HG12 VAL 24 HG12 VAL 24 9.212 -39.647 -19.638 187 HG13 VAL 24 HG13 VAL 24 8.986 -38.720 -21.121 188 HG21 VAL 24 HG21 VAL 24 11.741 -40.828 -19.369 189 HG22 VAL 24 HG22 VAL 24 10.873 -41.725 -20.615 190 HG23 VAL 24 HG23 VAL 24 12.477 -41.076 -20.952 191 H LYS 25 H LYS 25 8.944 -39.812 -23.376 192 HA LYS 25 HA LYS 25 9.383 -42.596 -24.033 193 HB2 LYS 25 HB2 LYS 25 7.206 -41.465 -23.134 194 HB3 LYS 25 HB3 LYS 25 6.937 -41.048 -24.821 195 HG2 LYS 25 HG2 LYS 25 6.976 -43.387 -25.440 196 HG3 LYS 25 HG3 LYS 25 7.344 -43.843 -23.774 197 HD2 LYS 25 HD2 LYS 25 4.918 -42.195 -24.296 198 HD3 LYS 25 HD3 LYS 25 4.875 -43.911 -24.707 199 HE2 LYS 25 HE2 LYS 25 5.739 -42.893 -22.010 200 HE3 LYS 25 HE3 LYS 25 4.064 -43.290 -22.391 201 HZ1 LYS 25 HZ1 LYS 25 6.237 -45.243 -22.826 202 HZ2 LYS 25 HZ2 LYS 25 4.578 -45.528 -22.660 203 HZ3 LYS 25 HZ3 LYS 25 5.497 -45.080 -21.313
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