NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280921 | 2kfe | 16178 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.353 1.936 -0.359 2 HA2 GLY 1 2HA GLY 1 2.976 -0.124 -1.567 3 HA3 GLY 1 3HA GLY 1 1.470 -0.310 -0.681 4 H ARG 2 H ARG 2 3.084 1.378 -3.287 5 HA ARG 2 HA ARG 2 1.040 3.093 -4.090 6 HB2 ARG 2 2HB ARG 2 2.125 3.119 -6.273 7 HB3 ARG 2 3HB ARG 2 3.326 3.181 -4.990 8 HG2 ARG 2 2HG ARG 2 2.678 0.481 -5.931 9 HG3 ARG 2 3HG ARG 2 3.433 1.529 -7.133 10 HD2 ARG 2 2HD ARG 2 4.639 1.563 -4.441 11 HD3 ARG 2 3HD ARG 2 4.810 0.058 -5.343 12 HE ARG 2 HE ARG 2 5.567 1.903 -7.147 13 HH11 ARG 2 1HH1 ARG 2 6.478 1.346 -3.834 14 HH12 ARG 2 2HH1 ARG 2 8.084 1.965 -4.035 15 HH21 ARG 2 1HH2 ARG 2 7.678 2.721 -7.424 16 HH22 ARG 2 2HH2 ARG 2 8.765 2.748 -6.077 17 H GLY 3 H GLY 3 1.293 -0.335 -4.327 18 HA2 GLY 3 2HA GLY 3 -0.965 -0.418 -6.220 19 HA3 GLY 3 3HA GLY 3 0.146 -1.745 -5.916 20 H ARG 4 H ARG 4 0.042 -1.336 -3.000 21 HA ARG 4 HA ARG 4 -2.146 -3.064 -2.452 22 HB2 ARG 4 2HB ARG 4 -0.400 -1.517 -0.528 23 HB3 ARG 4 3HB ARG 4 -1.458 -2.856 -0.106 24 HG2 ARG 4 2HG ARG 4 -0.003 -4.089 -1.950 25 HG3 ARG 4 3HG ARG 4 1.174 -2.867 -1.462 26 HD2 ARG 4 2HD ARG 4 1.666 -4.063 0.342 27 HD3 ARG 4 3HD ARG 4 -0.005 -3.929 0.888 28 HE ARG 4 HE ARG 4 0.316 -5.972 -1.074 29 HH11 ARG 4 1HH1 ARG 4 0.751 -5.235 2.301 30 HH12 ARG 4 2HH1 ARG 4 0.614 -6.885 2.813 31 HH21 ARG 4 1HH2 ARG 4 0.134 -8.148 -0.412 32 HH22 ARG 4 2HH2 ARG 4 0.264 -8.540 1.269 33 H GLU 5 H GLU 5 -1.555 0.380 -1.936 34 HA GLU 5 HA GLU 5 -4.136 0.738 -0.660 35 HB2 GLU 5 2HB GLU 5 -1.942 1.995 -0.101 36 HB3 GLU 5 3HB GLU 5 -2.311 2.964 -1.521 37 HG2 GLU 5 2HG GLU 5 -4.270 3.822 -0.565 38 HG3 GLU 5 3HG GLU 5 -4.290 2.594 0.699 39 H PHE 6 H PHE 6 -3.067 0.466 -3.781 40 HA PHE 6 HA PHE 6 -4.950 2.402 -4.893 41 HB2 PHE 6 2HB PHE 6 -2.755 2.340 -5.926 42 HB3 PHE 6 3HB PHE 6 -2.906 0.611 -6.218 43 HD1 PHE 6 HD1 PHE 6 -4.610 3.827 -7.008 44 HD2 PHE 6 HD2 PHE 6 -3.635 -0.116 -8.277 45 HE1 PHE 6 HE1 PHE 6 -5.609 4.292 -9.208 46 HE2 PHE 6 HE2 PHE 6 -4.631 0.342 -10.480 47 HZ PHE 6 HZ PHE 6 -5.619 2.549 -10.948 48 H MET 7 H MET 7 -4.339 -1.079 -4.809 49 HA MET 7 HA MET 7 -6.360 -1.914 -6.537 50 HB2 MET 7 2HB MET 7 -6.266 -4.068 -5.270 51 HB3 MET 7 3HB MET 7 -4.697 -3.477 -5.798 52 HG2 MET 7 2HG MET 7 -4.387 -2.521 -3.507 53 HG3 MET 7 3HG MET 7 -5.859 -3.364 -3.030 54 HE1 MET 7 3HE MET 7 -4.938 -7.000 -2.790 55 HE2 MET 7 1HE MET 7 -6.047 -5.691 -2.380 56 HE3 MET 7 2HE MET 7 -5.897 -6.228 -4.053 57 H SER 8 H SER 8 -6.459 -1.380 -3.027 58 HA SER 8 HA SER 8 -9.179 -2.125 -2.724 59 HB2 SER 8 2HB SER 8 -7.563 -2.094 -0.847 60 HB3 SER 8 3HB SER 8 -7.497 -0.335 -0.951 61 HG SER 8 HG SER 8 -9.207 -0.306 0.249 62 H ASN 9 H ASN 9 -7.581 1.052 -2.891 63 HA ASN 9 HA ASN 9 -9.872 2.630 -2.689 64 HB2 ASN 9 2HB ASN 9 -7.606 3.545 -2.498 65 HB3 ASN 9 3HB ASN 9 -7.315 3.208 -4.202 66 HD21 ASN 9 1HD2 ASN 9 -7.375 4.972 -5.369 67 HD22 ASN 9 2HD2 ASN 9 -8.448 6.309 -5.149 68 H LEU 10 H LEU 10 -8.405 1.059 -5.473 69 HA LEU 10 HA LEU 10 -9.690 2.285 -7.568 70 HB2 LEU 10 2HB LEU 10 -7.978 0.452 -7.677 71 HB3 LEU 10 3HB LEU 10 -9.279 -0.690 -7.348 72 HG LEU 10 HG LEU 10 -10.299 0.571 -9.499 73 HD11 LEU 10 1HD1 LEU 10 -8.760 1.330 -10.996 74 HD12 LEU 10 2HD1 LEU 10 -7.463 0.329 -10.345 75 HD13 LEU 10 3HD1 LEU 10 -7.956 1.794 -9.496 76 HD21 LEU 10 3HD2 LEU 10 -9.677 -1.920 -8.937 77 HD22 LEU 10 1HD2 LEU 10 -8.315 -1.591 -10.007 78 HD23 LEU 10 2HD2 LEU 10 -9.966 -1.410 -10.601 79 H LYS 11 H LYS 11 -10.847 -0.725 -6.035 80 HA LYS 11 HA LYS 11 -13.355 -0.759 -7.240 81 HB2 LYS 11 2HB LYS 11 -11.997 -2.380 -5.485 82 HB3 LYS 11 3HB LYS 11 -13.325 -1.789 -4.494 83 HG2 LYS 11 2HG LYS 11 -14.463 -2.508 -6.952 84 HG3 LYS 11 3HG LYS 11 -13.332 -3.799 -6.536 85 HD2 LYS 11 2HD LYS 11 -14.460 -4.338 -4.591 86 HD3 LYS 11 3HD LYS 11 -15.202 -2.742 -4.457 87 HE2 LYS 11 2HE LYS 11 -16.941 -4.203 -5.086 88 HE3 LYS 11 3HE LYS 11 -16.503 -3.327 -6.552 89 HZ1 LYS 11 3HZ LYS 11 -16.572 -6.079 -6.174 90 HZ2 LYS 11 1HZ LYS 11 -14.942 -5.662 -6.353 91 HZ3 LYS 11 2HZ LYS 11 -16.060 -5.237 -7.549 92 H GLU 12 H GLU 12 -12.229 0.927 -4.380 93 HA GLU 12 HA GLU 12 -14.753 1.660 -3.350 94 HB2 GLU 12 2HB GLU 12 -12.021 2.909 -3.062 95 HB3 GLU 12 3HB GLU 12 -13.439 3.497 -2.205 96 HG2 GLU 12 2HG GLU 12 -13.692 1.330 -1.118 97 HG3 GLU 12 3HG GLU 12 -12.280 0.728 -1.985 98 H LYS 13 H LYS 13 -12.746 2.976 -5.876 99 HA LYS 13 HA LYS 13 -14.358 5.389 -6.095 100 HB2 LYS 13 2HB LYS 13 -11.722 4.918 -6.579 101 HB3 LYS 13 3HB LYS 13 -12.384 4.787 -8.203 102 HG2 LYS 13 2HG LYS 13 -11.968 7.008 -8.189 103 HG3 LYS 13 3HG LYS 13 -13.580 7.048 -7.470 104 HD2 LYS 13 2HD LYS 13 -12.752 7.983 -5.631 105 HD3 LYS 13 3HD LYS 13 -11.669 6.608 -5.400 106 HE2 LYS 13 2HE LYS 13 -10.022 7.648 -6.864 107 HE3 LYS 13 3HE LYS 13 -11.110 9.006 -7.145 108 HZ1 LYS 13 3HZ LYS 13 -10.761 9.838 -5.060 109 HZ2 LYS 13 1HZ LYS 13 -9.243 9.151 -5.354 110 HZ3 LYS 13 2HZ LYS 13 -10.366 8.337 -4.387 111 H LEU 14 H LEU 14 -13.735 2.405 -7.872 112 HA LEU 14 HA LEU 14 -15.099 2.937 -10.222 113 HB2 LEU 14 2HB LEU 14 -14.898 0.345 -8.698 114 HB3 LEU 14 3HB LEU 14 -15.459 0.488 -10.362 115 HG LEU 14 HG LEU 14 -12.734 1.471 -9.613 116 HD11 LEU 14 1HD1 LEU 14 -12.457 -1.106 -10.676 117 HD12 LEU 14 2HD1 LEU 14 -13.633 -1.241 -9.370 118 HD13 LEU 14 3HD1 LEU 14 -12.039 -0.558 -9.053 119 HD21 LEU 14 3HD2 LEU 14 -12.291 0.776 -11.962 120 HD22 LEU 14 1HD2 LEU 14 -13.509 2.042 -11.808 121 HD23 LEU 14 2HD2 LEU 14 -14.002 0.377 -12.120 122 H SER 15 H SER 15 -16.335 2.177 -7.051 123 HA SER 15 HA SER 15 -18.973 1.495 -7.811 124 HB2 SER 15 2HB SER 15 -18.701 0.858 -5.645 125 HB3 SER 15 3HB SER 15 -17.567 2.163 -5.298 126 HG SER 15 HG SER 15 -20.275 2.051 -4.926 127 H GLY 16 H GLY 16 -17.309 4.501 -7.557 128 HA2 GLY 16 2HA GLY 16 -19.858 5.975 -7.693 129 HA3 GLY 16 3HA GLY 16 -18.320 6.665 -7.197 130 H VAL 17 H VAL 17 -16.831 5.413 -9.374 131 HA VAL 17 HA VAL 17 -16.912 7.451 -11.258 132 HB VAL 17 HB VAL 17 -15.115 5.615 -10.846 133 HG11 VAL 17 1HG1 VAL 17 -15.164 3.697 -12.175 134 HG12 VAL 17 2HG1 VAL 17 -16.811 3.821 -11.554 135 HG13 VAL 17 3HG1 VAL 17 -16.449 4.328 -13.204 136 HG21 VAL 17 3HG2 VAL 17 -14.724 5.852 -13.550 137 HG22 VAL 17 1HG2 VAL 17 -15.786 7.214 -13.194 138 HG23 VAL 17 2HG2 VAL 17 -14.253 7.045 -12.339 139 H LYS 18 H LYS 18 -18.741 4.484 -11.080 140 HA LYS 18 HA LYS 18 -19.664 4.430 -13.753 141 HB2 LYS 18 2HB LYS 18 -20.517 3.164 -11.186 142 HB3 LYS 18 3HB LYS 18 -21.619 3.112 -12.556 143 HG2 LYS 18 2HG LYS 18 -19.933 1.995 -13.898 144 HG3 LYS 18 3HG LYS 18 -18.785 2.091 -12.561 145 HD2 LYS 18 2HD LYS 18 -19.870 0.476 -11.336 146 HD3 LYS 18 3HD LYS 18 -21.430 0.797 -12.097 147 HE2 LYS 18 2HE LYS 18 -19.979 -0.057 -14.223 148 HE3 LYS 18 3HE LYS 18 -19.249 -0.995 -12.922 149 HZ1 LYS 18 3HZ LYS 18 -22.119 -0.960 -12.825 150 HZ2 LYS 18 1HZ LYS 18 -21.051 -2.270 -12.744 151 HZ3 LYS 18 2HZ LYS 18 -21.517 -1.649 -14.247 152 H GLU 19 H GLU 19 -20.447 6.418 -11.091 153 HA GLU 19 HA GLU 19 -23.131 7.024 -11.579 154 HB2 GLU 19 2HB GLU 19 -22.071 7.750 -9.543 155 HB3 GLU 19 3HB GLU 19 -20.910 8.722 -10.437 156 HG2 GLU 19 2HG GLU 19 -22.745 10.163 -11.211 157 HG3 GLU 19 3HG GLU 19 -23.874 9.211 -10.249 158 H LYS 20 H LYS 20 -20.181 8.555 -12.832 159 HA LYS 20 HA LYS 20 -21.813 10.106 -14.711 160 HB2 LYS 20 2HB LYS 20 -18.848 10.352 -14.189 161 HB3 LYS 20 3HB LYS 20 -19.873 11.486 -15.059 162 HG2 LYS 20 2HG LYS 20 -20.185 10.835 -12.138 163 HG3 LYS 20 3HG LYS 20 -19.262 12.205 -12.760 164 HD2 LYS 20 2HD LYS 20 -22.179 11.725 -13.355 165 HD3 LYS 20 3HD LYS 20 -21.595 12.760 -12.050 166 HE2 LYS 20 2HE LYS 20 -20.273 13.988 -13.858 167 HE3 LYS 20 3HE LYS 20 -21.281 13.124 -15.017 168 HZ1 LYS 20 3HZ LYS 20 -21.888 15.466 -13.652 169 HZ2 LYS 20 1HZ LYS 20 -22.911 14.271 -13.027 170 HZ3 LYS 20 2HZ LYS 20 -22.893 14.584 -14.689 171 H MET 21 H MET 21 -19.368 7.609 -14.546 172 HA MET 21 HA MET 21 -18.606 7.559 -17.246 173 HB2 MET 21 2HB MET 21 -17.269 6.357 -15.699 174 HB3 MET 21 3HB MET 21 -18.646 5.437 -15.108 175 HG2 MET 21 2HG MET 21 -18.801 4.314 -17.291 176 HG3 MET 21 3HG MET 21 -17.374 5.200 -17.824 177 HE1 MET 21 3HE MET 21 -14.941 2.839 -17.566 178 HE2 MET 21 1HE MET 21 -15.477 4.472 -17.963 179 HE3 MET 21 2HE MET 21 -14.554 4.182 -16.489 180 H LYS 22 H LYS 22 -20.592 5.033 -15.722 181 HA LYS 22 HA LYS 22 -21.666 3.984 -18.031 182 HB2 LYS 22 2HB LYS 22 -21.864 3.286 -15.485 183 HB3 LYS 22 3HB LYS 22 -23.402 4.129 -15.606 184 HG2 LYS 22 2HG LYS 22 -23.801 2.648 -17.675 185 HG3 LYS 22 3HG LYS 22 -22.491 1.660 -17.026 186 HD2 LYS 22 2HD LYS 22 -23.692 1.193 -15.048 187 HD3 LYS 22 3HD LYS 22 -24.873 2.464 -15.374 188 HE2 LYS 22 2HE LYS 22 -24.654 0.404 -17.458 189 HE3 LYS 22 3HE LYS 22 -25.251 -0.174 -15.903 190 HZ1 LYS 22 3HZ LYS 22 -26.384 2.105 -17.436 191 HZ2 LYS 22 1HZ LYS 22 -26.968 1.512 -15.963 192 HZ3 LYS 22 2HZ LYS 22 -27.050 0.552 -17.353 193 H ASN 23 H ASN 23 -22.564 6.880 -16.329 194 HA ASN 23 HA ASN 23 -25.118 7.221 -17.542 195 HB2 ASN 23 2HB ASN 23 -24.385 8.324 -15.413 196 HB3 ASN 23 3HB ASN 23 -23.328 9.358 -16.370 197 HD21 ASN 23 1HD2 ASN 23 -25.738 9.865 -14.660 198 HD22 ASN 23 2HD2 ASN 23 -26.791 10.800 -15.662 199 H SER 24 H SER 24 -21.947 8.729 -18.142 200 HA SER 24 HA SER 24 -22.885 10.037 -20.527 201 HB2 SER 24 2HB SER 24 -21.078 10.928 -18.981 202 HB3 SER 24 3HB SER 24 -20.011 9.698 -19.658 203 HG SER 24 HG SER 24 -19.941 10.751 -21.515 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 3.034 0.462 -1.081 3 HA3 GLY 1 3HA GLY 1 2.223 -1.021 -1.564 4 H ARG 2 H ARG 2 3.056 0.956 -3.374 5 HA ARG 2 HA ARG 2 1.115 2.815 -4.111 6 HB2 ARG 2 2HB ARG 2 2.168 2.818 -6.309 7 HB3 ARG 2 3HB ARG 2 3.389 2.775 -5.044 8 HG2 ARG 2 2HG ARG 2 2.556 0.143 -6.029 9 HG3 ARG 2 3HG ARG 2 3.359 1.166 -7.221 10 HD2 ARG 2 2HD ARG 2 4.604 1.066 -4.549 11 HD3 ARG 2 3HD ARG 2 4.666 -0.427 -5.484 12 HE ARG 2 HE ARG 2 5.512 1.405 -7.262 13 HH11 ARG 2 1HH1 ARG 2 6.435 0.720 -3.976 14 HH12 ARG 2 2HH1 ARG 2 8.073 1.240 -4.189 15 HH21 ARG 2 1HH2 ARG 2 7.666 2.093 -7.556 16 HH22 ARG 2 2HH2 ARG 2 8.773 2.022 -6.226 17 H GLY 3 H GLY 3 1.145 -0.617 -4.419 18 HA2 GLY 3 2HA GLY 3 -1.148 -0.512 -6.270 19 HA3 GLY 3 3HA GLY 3 -0.112 -1.911 -6.028 20 H ARG 4 H ARG 4 -0.157 -1.488 -3.078 21 HA ARG 4 HA ARG 4 -2.387 -3.158 -2.515 22 HB2 ARG 4 2HB ARG 4 -0.597 -1.647 -0.602 23 HB3 ARG 4 3HB ARG 4 -1.685 -2.961 -0.173 24 HG2 ARG 4 2HG ARG 4 -0.262 -4.228 -2.023 25 HG3 ARG 4 3HG ARG 4 0.943 -3.036 -1.532 26 HD2 ARG 4 2HD ARG 4 0.649 -3.735 0.809 27 HD3 ARG 4 3HD ARG 4 -0.511 -4.955 0.284 28 HE ARG 4 HE ARG 4 2.347 -5.107 0.126 29 HH11 ARG 4 1HH1 ARG 4 -0.642 -6.209 -1.278 30 HH12 ARG 4 2HH1 ARG 4 0.043 -7.666 -1.916 31 HH21 ARG 4 1HH2 ARG 4 3.261 -7.023 -0.710 32 HH22 ARG 4 2HH2 ARG 4 2.263 -8.129 -1.592 33 H GLU 5 H GLU 5 -1.716 0.274 -2.046 34 HA GLU 5 HA GLU 5 -4.274 0.705 -0.743 35 HB2 GLU 5 2HB GLU 5 -2.048 1.919 -0.221 36 HB3 GLU 5 3HB GLU 5 -2.406 2.877 -1.651 37 HG2 GLU 5 2HG GLU 5 -4.315 3.816 -0.692 38 HG3 GLU 5 3HG GLU 5 -4.396 2.585 0.567 39 H PHE 6 H PHE 6 -3.241 0.375 -3.872 40 HA PHE 6 HA PHE 6 -5.092 2.338 -4.989 41 HB2 PHE 6 2HB PHE 6 -2.682 1.031 -5.903 42 HB3 PHE 6 3HB PHE 6 -3.980 0.824 -7.074 43 HD1 PHE 6 HD1 PHE 6 -2.038 3.340 -5.190 44 HD2 PHE 6 HD2 PHE 6 -4.671 2.599 -8.451 45 HE1 PHE 6 HE1 PHE 6 -1.637 5.619 -6.027 46 HE2 PHE 6 HE2 PHE 6 -4.273 4.876 -9.294 47 HZ PHE 6 HZ PHE 6 -2.754 6.389 -8.082 48 H MET 7 H MET 7 -4.567 -1.155 -4.861 49 HA MET 7 HA MET 7 -6.625 -1.965 -6.557 50 HB2 MET 7 2HB MET 7 -6.573 -4.101 -5.258 51 HB3 MET 7 3HB MET 7 -4.994 -3.558 -5.811 52 HG2 MET 7 2HG MET 7 -4.638 -2.575 -3.538 53 HG3 MET 7 3HG MET 7 -6.123 -3.376 -3.033 54 HE1 MET 7 3HE MET 7 -5.584 -6.842 -2.672 55 HE2 MET 7 1HE MET 7 -6.622 -5.665 -3.479 56 HE3 MET 7 2HE MET 7 -5.562 -6.705 -4.431 57 H SER 8 H SER 8 -6.675 -1.379 -3.054 58 HA SER 8 HA SER 8 -9.409 -2.050 -2.714 59 HB2 SER 8 2HB SER 8 -7.775 -2.032 -0.853 60 HB3 SER 8 3HB SER 8 -7.666 -0.277 -0.985 61 HG SER 8 HG SER 8 -9.473 -1.747 0.330 62 H ASN 9 H ASN 9 -7.736 1.084 -2.944 63 HA ASN 9 HA ASN 9 -9.985 2.721 -2.744 64 HB2 ASN 9 2HB ASN 9 -7.696 3.582 -2.588 65 HB3 ASN 9 3HB ASN 9 -7.429 3.211 -4.289 66 HD21 ASN 9 1HD2 ASN 9 -7.455 4.960 -5.481 67 HD22 ASN 9 2HD2 ASN 9 -8.492 6.326 -5.274 68 H LEU 10 H LEU 10 -8.583 1.075 -5.519 69 HA LEU 10 HA LEU 10 -9.860 2.301 -7.619 70 HB2 LEU 10 2HB LEU 10 -8.194 0.425 -7.717 71 HB3 LEU 10 3HB LEU 10 -9.520 -0.680 -7.359 72 HG LEU 10 HG LEU 10 -10.614 0.313 -9.481 73 HD11 LEU 10 1HD1 LEU 10 -9.208 1.281 -11.095 74 HD12 LEU 10 2HD1 LEU 10 -7.751 0.900 -10.178 75 HD13 LEU 10 3HD1 LEU 10 -8.858 2.144 -9.597 76 HD21 LEU 10 3HD2 LEU 10 -8.152 -1.367 -9.889 77 HD22 LEU 10 1HD2 LEU 10 -9.661 -1.397 -10.803 78 HD23 LEU 10 2HD2 LEU 10 -9.625 -1.990 -9.142 79 H LYS 11 H LYS 11 -11.074 -0.658 -6.033 80 HA LYS 11 HA LYS 11 -13.594 -0.649 -7.212 81 HB2 LYS 11 2HB LYS 11 -12.548 -2.530 -5.913 82 HB3 LYS 11 3HB LYS 11 -12.956 -1.662 -4.438 83 HG2 LYS 11 2HG LYS 11 -15.323 -1.798 -5.001 84 HG3 LYS 11 3HG LYS 11 -14.924 -2.646 -6.496 85 HD2 LYS 11 2HD LYS 11 -14.015 -4.503 -5.254 86 HD3 LYS 11 3HD LYS 11 -14.233 -3.637 -3.731 87 HE2 LYS 11 2HE LYS 11 -16.182 -4.730 -3.603 88 HE3 LYS 11 3HE LYS 11 -16.748 -3.568 -4.802 89 HZ1 LYS 11 3HZ LYS 11 -17.042 -6.081 -5.233 90 HZ2 LYS 11 1HZ LYS 11 -15.410 -6.039 -5.675 91 HZ3 LYS 11 2HZ LYS 11 -16.534 -5.084 -6.502 92 H GLU 12 H GLU 12 -12.400 1.050 -4.387 93 HA GLU 12 HA GLU 12 -14.896 1.860 -3.347 94 HB2 GLU 12 2HB GLU 12 -12.132 3.044 -3.098 95 HB3 GLU 12 3HB GLU 12 -13.527 3.679 -2.238 96 HG2 GLU 12 2HG GLU 12 -13.824 1.534 -1.120 97 HG3 GLU 12 3HG GLU 12 -12.435 0.885 -1.990 98 H LYS 13 H LYS 13 -12.879 3.089 -5.908 99 HA LYS 13 HA LYS 13 -14.428 5.541 -6.146 100 HB2 LYS 13 2HB LYS 13 -11.812 4.997 -6.647 101 HB3 LYS 13 3HB LYS 13 -12.490 4.849 -8.263 102 HG2 LYS 13 2HG LYS 13 -11.893 7.067 -8.193 103 HG3 LYS 13 3HG LYS 13 -13.595 7.136 -7.731 104 HD2 LYS 13 2HD LYS 13 -13.100 7.969 -5.721 105 HD3 LYS 13 3HD LYS 13 -11.870 6.736 -5.436 106 HE2 LYS 13 2HE LYS 13 -10.252 8.025 -6.705 107 HE3 LYS 13 3HE LYS 13 -11.479 9.230 -7.088 108 HZ1 LYS 13 3HZ LYS 13 -9.785 9.377 -5.006 109 HZ2 LYS 13 1HZ LYS 13 -11.157 8.716 -4.267 110 HZ3 LYS 13 2HZ LYS 13 -11.268 10.187 -5.093 111 H LEU 14 H LEU 14 -13.906 2.515 -7.885 112 HA LEU 14 HA LEU 14 -15.270 3.042 -10.233 113 HB2 LEU 14 2HB LEU 14 -15.143 0.481 -8.650 114 HB3 LEU 14 3HB LEU 14 -15.727 0.601 -10.308 115 HG LEU 14 HG LEU 14 -12.954 1.492 -9.612 116 HD11 LEU 14 1HD1 LEU 14 -13.991 -1.220 -9.482 117 HD12 LEU 14 2HD1 LEU 14 -12.440 -0.572 -8.951 118 HD13 LEU 14 3HD1 LEU 14 -12.668 -1.045 -10.635 119 HD21 LEU 14 3HD2 LEU 14 -12.778 0.426 -12.030 120 HD22 LEU 14 1HD2 LEU 14 -13.329 2.083 -11.780 121 HD23 LEU 14 2HD2 LEU 14 -14.503 0.794 -12.047 122 H SER 15 H SER 15 -16.518 2.337 -7.043 123 HA SER 15 HA SER 15 -19.177 1.745 -7.765 124 HB2 SER 15 2HB SER 15 -18.908 1.174 -5.579 125 HB3 SER 15 3HB SER 15 -17.739 2.461 -5.282 126 HG SER 15 HG SER 15 -20.522 2.901 -5.604 127 H GLY 16 H GLY 16 -17.429 4.722 -7.549 128 HA2 GLY 16 2HA GLY 16 -19.931 6.262 -7.741 129 HA3 GLY 16 3HA GLY 16 -18.366 6.920 -7.288 130 H VAL 17 H VAL 17 -16.905 5.616 -9.413 131 HA VAL 17 HA VAL 17 -16.986 7.572 -11.374 132 HB VAL 17 HB VAL 17 -15.217 5.706 -10.898 133 HG11 VAL 17 1HG1 VAL 17 -16.941 3.938 -11.606 134 HG12 VAL 17 2HG1 VAL 17 -16.551 4.422 -13.257 135 HG13 VAL 17 3HG1 VAL 17 -15.291 3.775 -12.205 136 HG21 VAL 17 3HG2 VAL 17 -15.846 7.266 -13.296 137 HG22 VAL 17 1HG2 VAL 17 -14.341 7.137 -12.387 138 HG23 VAL 17 2HG2 VAL 17 -14.759 5.907 -13.579 139 H LYS 18 H LYS 18 -18.882 4.674 -11.046 140 HA LYS 18 HA LYS 18 -19.801 4.473 -13.711 141 HB2 LYS 18 2HB LYS 18 -20.453 3.281 -11.118 142 HB3 LYS 18 3HB LYS 18 -21.850 3.453 -12.172 143 HG2 LYS 18 2HG LYS 18 -20.201 2.384 -13.938 144 HG3 LYS 18 3HG LYS 18 -19.435 1.757 -12.477 145 HD2 LYS 18 2HD LYS 18 -22.260 1.427 -12.251 146 HD3 LYS 18 3HD LYS 18 -21.735 0.784 -13.809 147 HE2 LYS 18 2HE LYS 18 -21.582 -1.005 -12.272 148 HE3 LYS 18 3HE LYS 18 -19.930 -0.453 -12.547 149 HZ1 LYS 18 3HZ LYS 18 -19.791 -0.350 -10.342 150 HZ2 LYS 18 1HZ LYS 18 -21.464 -0.476 -10.127 151 HZ3 LYS 18 2HZ LYS 18 -20.762 1.033 -10.430 152 H GLU 19 H GLU 19 -20.658 6.542 -11.078 153 HA GLU 19 HA GLU 19 -23.265 7.246 -11.677 154 HB2 GLU 19 2HB GLU 19 -22.275 8.082 -9.678 155 HB3 GLU 19 3HB GLU 19 -20.989 8.883 -10.569 156 HG2 GLU 19 2HG GLU 19 -22.577 10.506 -9.773 157 HG3 GLU 19 3HG GLU 19 -22.629 10.427 -11.533 158 H LYS 20 H LYS 20 -20.255 8.493 -13.060 159 HA LYS 20 HA LYS 20 -21.823 10.018 -15.022 160 HB2 LYS 20 2HB LYS 20 -18.849 10.215 -14.573 161 HB3 LYS 20 3HB LYS 20 -19.898 11.362 -15.397 162 HG2 LYS 20 2HG LYS 20 -20.929 11.129 -12.809 163 HG3 LYS 20 3HG LYS 20 -19.176 11.215 -12.624 164 HD2 LYS 20 2HD LYS 20 -19.094 13.262 -13.893 165 HD3 LYS 20 3HD LYS 20 -20.816 13.145 -14.264 166 HE2 LYS 20 2HE LYS 20 -21.318 13.338 -11.859 167 HE3 LYS 20 3HE LYS 20 -19.596 13.518 -11.529 168 HZ1 LYS 20 3HZ LYS 20 -21.342 15.540 -12.040 169 HZ2 LYS 20 1HZ LYS 20 -20.534 15.353 -13.515 170 HZ3 LYS 20 2HZ LYS 20 -19.655 15.652 -12.101 171 H MET 21 H MET 21 -19.374 7.523 -14.685 172 HA MET 21 HA MET 21 -18.658 7.262 -17.383 173 HB2 MET 21 2HB MET 21 -17.295 6.189 -15.763 174 HB3 MET 21 3HB MET 21 -18.660 5.308 -15.089 175 HG2 MET 21 2HG MET 21 -18.834 4.030 -17.187 176 HG3 MET 21 3HG MET 21 -17.411 4.876 -17.792 177 HE1 MET 21 3HE MET 21 -15.904 2.215 -18.017 178 HE2 MET 21 1HE MET 21 -16.671 1.058 -16.928 179 HE3 MET 21 2HE MET 21 -17.662 2.065 -17.984 180 H LYS 22 H LYS 22 -20.604 4.848 -15.642 181 HA LYS 22 HA LYS 22 -21.712 3.630 -17.851 182 HB2 LYS 22 2HB LYS 22 -21.834 2.974 -15.358 183 HB3 LYS 22 3HB LYS 22 -23.274 3.983 -15.305 184 HG2 LYS 22 2HG LYS 22 -24.117 1.857 -15.666 185 HG3 LYS 22 3HG LYS 22 -24.091 2.563 -17.284 186 HD2 LYS 22 2HD LYS 22 -21.982 1.425 -17.755 187 HD3 LYS 22 3HD LYS 22 -21.982 0.738 -16.129 188 HE2 LYS 22 2HE LYS 22 -24.272 -0.240 -16.770 189 HE3 LYS 22 3HE LYS 22 -23.811 0.136 -18.430 190 HZ1 LYS 22 3HZ LYS 22 -21.738 -1.232 -17.019 191 HZ2 LYS 22 1HZ LYS 22 -22.464 -1.612 -18.499 192 HZ3 LYS 22 2HZ LYS 22 -23.170 -2.132 -17.053 193 H ASN 23 H ASN 23 -22.588 6.640 -16.354 194 HA ASN 23 HA ASN 23 -25.173 6.878 -17.526 195 HB2 ASN 23 2HB ASN 23 -24.388 8.145 -15.507 196 HB3 ASN 23 3HB ASN 23 -23.367 9.108 -16.571 197 HD21 ASN 23 1HD2 ASN 23 -25.780 9.672 -14.838 198 HD22 ASN 23 2HD2 ASN 23 -26.849 10.542 -15.879 199 H SER 24 H SER 24 -22.024 8.344 -18.320 200 HA SER 24 HA SER 24 -23.048 8.829 -21.042 201 HB2 SER 24 2HB SER 24 -22.657 10.982 -20.271 202 HB3 SER 24 3HB SER 24 -21.303 10.484 -19.256 203 HG SER 24 HG SER 24 -20.771 11.671 -21.239 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.922 -0.036 -1.553 2 HA2 GLY 1 2HA GLY 1 1.215 -0.393 -0.533 3 HA3 GLY 1 3HA GLY 1 2.231 1.025 -0.320 4 H ARG 2 H ARG 2 2.875 1.298 -3.130 5 HA ARG 2 HA ARG 2 0.835 3.019 -3.932 6 HB2 ARG 2 2HB ARG 2 1.950 3.088 -6.098 7 HB3 ARG 2 3HB ARG 2 3.133 3.131 -4.798 8 HG2 ARG 2 2HG ARG 2 2.509 0.446 -5.795 9 HG3 ARG 2 3HG ARG 2 3.277 1.518 -6.968 10 HD2 ARG 2 2HD ARG 2 4.445 1.510 -4.259 11 HD3 ARG 2 3HD ARG 2 4.635 0.022 -5.186 12 HE ARG 2 HE ARG 2 5.408 1.901 -6.947 13 HH11 ARG 2 1HH1 ARG 2 6.277 1.289 -3.631 14 HH12 ARG 2 2HH1 ARG 2 7.883 1.918 -3.800 15 HH21 ARG 2 1HH2 ARG 2 7.519 2.732 -7.181 16 HH22 ARG 2 2HH2 ARG 2 8.588 2.740 -5.819 17 H GLY 3 H GLY 3 1.106 -0.404 -4.224 18 HA2 GLY 3 2HA GLY 3 -1.126 -0.462 -6.149 19 HA3 GLY 3 3HA GLY 3 -0.013 -1.790 -5.854 20 H ARG 4 H ARG 4 -0.158 -1.431 -2.932 21 HA ARG 4 HA ARG 4 -2.344 -3.180 -2.444 22 HB2 ARG 4 2HB ARG 4 -0.633 -1.655 -0.470 23 HB3 ARG 4 3HB ARG 4 -1.690 -3.008 -0.085 24 HG2 ARG 4 2HG ARG 4 -0.201 -4.200 -1.930 25 HG3 ARG 4 3HG ARG 4 0.961 -2.981 -1.403 26 HD2 ARG 4 2HD ARG 4 -0.413 -4.314 0.801 27 HD3 ARG 4 3HD ARG 4 0.529 -5.413 -0.205 28 HE ARG 4 HE ARG 4 2.113 -3.185 0.369 29 HH11 ARG 4 1HH1 ARG 4 0.648 -5.880 2.015 30 HH12 ARG 4 2HH1 ARG 4 1.861 -5.953 3.250 31 HH21 ARG 4 1HH2 ARG 4 3.716 -3.271 1.989 32 HH22 ARG 4 2HH2 ARG 4 3.605 -4.468 3.234 33 H GLU 5 H GLU 5 -1.781 0.259 -1.865 34 HA GLU 5 HA GLU 5 -4.381 0.581 -0.618 35 HB2 GLU 5 2HB GLU 5 -2.202 1.841 -0.009 36 HB3 GLU 5 3HB GLU 5 -2.558 2.831 -1.417 37 HG2 GLU 5 2HG GLU 5 -4.404 3.787 -0.455 38 HG3 GLU 5 3HG GLU 5 -4.679 2.424 0.628 39 H PHE 6 H PHE 6 -3.266 0.367 -3.728 40 HA PHE 6 HA PHE 6 -5.146 2.310 -4.834 41 HB2 PHE 6 2HB PHE 6 -2.888 2.220 -5.799 42 HB3 PHE 6 3HB PHE 6 -3.130 0.527 -6.217 43 HD1 PHE 6 HD2 PHE 6 -5.213 3.598 -6.623 44 HD2 PHE 6 HD1 PHE 6 -3.313 0.276 -8.486 45 HE1 PHE 6 HE2 PHE 6 -6.164 4.274 -8.789 46 HE2 PHE 6 HE1 PHE 6 -4.260 0.947 -10.656 47 HZ PHE 6 HZ PHE 6 -5.688 2.948 -10.809 48 H MET 7 H MET 7 -4.517 -1.168 -4.796 49 HA MET 7 HA MET 7 -6.508 -1.987 -6.566 50 HB2 MET 7 2HB MET 7 -6.419 -4.161 -5.334 51 HB3 MET 7 3HB MET 7 -4.845 -3.551 -5.830 52 HG2 MET 7 2HG MET 7 -4.574 -2.632 -3.519 53 HG3 MET 7 3HG MET 7 -6.047 -3.491 -3.077 54 HE1 MET 7 3HE MET 7 -5.900 -5.561 -1.846 55 HE2 MET 7 1HE MET 7 -6.249 -6.245 -3.435 56 HE3 MET 7 2HE MET 7 -5.016 -6.981 -2.410 57 H SER 8 H SER 8 -6.658 -1.510 -3.050 58 HA SER 8 HA SER 8 -9.377 -2.275 -2.796 59 HB2 SER 8 2HB SER 8 -7.787 -2.267 -0.897 60 HB3 SER 8 3HB SER 8 -7.731 -0.506 -0.971 61 HG SER 8 HG SER 8 -9.365 -1.858 0.450 62 H ASN 9 H ASN 9 -7.795 0.912 -2.893 63 HA ASN 9 HA ASN 9 -10.098 2.474 -2.695 64 HB2 ASN 9 2HB ASN 9 -7.840 3.398 -2.457 65 HB3 ASN 9 3HB ASN 9 -7.524 3.091 -4.162 66 HD21 ASN 9 1HD2 ASN 9 -7.581 4.873 -5.302 67 HD22 ASN 9 2HD2 ASN 9 -8.663 6.201 -5.074 68 H LEU 10 H LEU 10 -8.584 0.958 -5.484 69 HA LEU 10 HA LEU 10 -9.847 2.210 -7.576 70 HB2 LEU 10 2HB LEU 10 -8.124 0.388 -7.692 71 HB3 LEU 10 3HB LEU 10 -9.423 -0.766 -7.397 72 HG LEU 10 HG LEU 10 -10.478 0.365 -9.523 73 HD11 LEU 10 1HD1 LEU 10 -7.586 1.122 -9.650 74 HD12 LEU 10 2HD1 LEU 10 -9.012 2.093 -10.016 75 HD13 LEU 10 3HD1 LEU 10 -8.507 0.816 -11.123 76 HD21 LEU 10 3HD2 LEU 10 -9.875 -1.983 -9.345 77 HD22 LEU 10 1HD2 LEU 10 -8.181 -1.588 -9.637 78 HD23 LEU 10 2HD2 LEU 10 -9.377 -1.334 -10.909 79 H LYS 11 H LYS 11 -11.009 -0.830 -6.111 80 HA LYS 11 HA LYS 11 -13.501 -0.856 -7.350 81 HB2 LYS 11 2HB LYS 11 -12.660 -1.990 -4.678 82 HB3 LYS 11 3HB LYS 11 -14.190 -2.356 -5.465 83 HG2 LYS 11 2HG LYS 11 -12.633 -3.042 -7.463 84 HG3 LYS 11 3HG LYS 11 -11.434 -3.214 -6.180 85 HD2 LYS 11 2HD LYS 11 -12.340 -5.329 -6.227 86 HD3 LYS 11 3HD LYS 11 -13.340 -4.561 -4.992 87 HE2 LYS 11 2HE LYS 11 -14.404 -4.142 -7.653 88 HE3 LYS 11 3HE LYS 11 -14.220 -5.858 -7.289 89 HZ1 LYS 11 3HZ LYS 11 -16.291 -4.269 -6.512 90 HZ2 LYS 11 1HZ LYS 11 -15.353 -4.392 -5.110 91 HZ3 LYS 11 2HZ LYS 11 -15.917 -5.791 -5.875 92 H GLU 12 H GLU 12 -12.424 0.787 -4.446 93 HA GLU 12 HA GLU 12 -14.966 1.493 -3.442 94 HB2 GLU 12 2HB GLU 12 -12.244 2.748 -3.092 95 HB3 GLU 12 3HB GLU 12 -13.677 3.315 -2.247 96 HG2 GLU 12 2HG GLU 12 -13.937 1.129 -1.201 97 HG3 GLU 12 3HG GLU 12 -12.509 0.548 -2.056 98 H LYS 13 H LYS 13 -12.927 2.858 -5.916 99 HA LYS 13 HA LYS 13 -14.544 5.270 -6.118 100 HB2 LYS 13 2HB LYS 13 -11.901 4.816 -6.572 101 HB3 LYS 13 3HB LYS 13 -12.539 4.705 -8.207 102 HG2 LYS 13 2HG LYS 13 -13.261 6.909 -8.212 103 HG3 LYS 13 3HG LYS 13 -13.246 7.021 -6.451 104 HD2 LYS 13 2HD LYS 13 -11.204 7.894 -6.552 105 HD3 LYS 13 3HD LYS 13 -10.616 6.387 -7.260 106 HE2 LYS 13 2HE LYS 13 -10.763 7.191 -9.418 107 HE3 LYS 13 3HE LYS 13 -11.980 8.395 -8.998 108 HZ1 LYS 13 3HZ LYS 13 -9.065 8.513 -8.680 109 HZ2 LYS 13 1HZ LYS 13 -10.037 9.374 -7.595 110 HZ3 LYS 13 2HZ LYS 13 -10.133 9.694 -9.253 111 H LEU 14 H LEU 14 -13.889 2.316 -7.934 112 HA LEU 14 HA LEU 14 -15.217 2.879 -10.296 113 HB2 LEU 14 2HB LEU 14 -15.040 0.269 -8.799 114 HB3 LEU 14 3HB LEU 14 -15.584 0.430 -10.468 115 HG LEU 14 HG LEU 14 -12.863 1.393 -9.671 116 HD11 LEU 14 1HD1 LEU 14 -12.279 -0.667 -9.061 117 HD12 LEU 14 2HD1 LEU 14 -12.471 -1.110 -10.757 118 HD13 LEU 14 3HD1 LEU 14 -13.802 -1.355 -9.626 119 HD21 LEU 14 3HD2 LEU 14 -12.498 0.522 -12.081 120 HD22 LEU 14 1HD2 LEU 14 -13.357 2.044 -11.839 121 HD23 LEU 14 2HD2 LEU 14 -14.258 0.568 -12.187 122 H SER 15 H SER 15 -16.507 2.049 -7.158 123 HA SER 15 HA SER 15 -19.131 1.389 -7.965 124 HB2 SER 15 2HB SER 15 -18.885 0.733 -5.800 125 HB3 SER 15 3HB SER 15 -17.770 2.045 -5.421 126 HG SER 15 HG SER 15 -19.552 2.617 -4.347 127 H GLY 16 H GLY 16 -17.476 4.399 -7.628 128 HA2 GLY 16 2HA GLY 16 -20.022 5.872 -7.799 129 HA3 GLY 16 3HA GLY 16 -18.490 6.557 -7.280 130 H VAL 17 H VAL 17 -16.960 5.349 -9.437 131 HA VAL 17 HA VAL 17 -17.043 7.395 -11.313 132 HB VAL 17 HB VAL 17 -15.230 5.571 -10.874 133 HG11 VAL 17 1HG1 VAL 17 -16.878 3.769 -11.654 134 HG12 VAL 17 2HG1 VAL 17 -16.497 4.318 -13.288 135 HG13 VAL 17 3HG1 VAL 17 -15.221 3.682 -12.249 136 HG21 VAL 17 3HG2 VAL 17 -15.855 7.221 -13.196 137 HG22 VAL 17 1HG2 VAL 17 -14.338 7.029 -12.317 138 HG23 VAL 17 2HG2 VAL 17 -14.785 5.870 -13.569 139 H LYS 18 H LYS 18 -18.836 4.408 -11.170 140 HA LYS 18 HA LYS 18 -19.705 4.332 -13.859 141 HB2 LYS 18 2HB LYS 18 -20.508 3.036 -11.311 142 HB3 LYS 18 3HB LYS 18 -21.702 3.053 -12.602 143 HG2 LYS 18 2HG LYS 18 -20.446 1.698 -13.969 144 HG3 LYS 18 3HG LYS 18 -18.925 2.145 -13.194 145 HD2 LYS 18 2HD LYS 18 -19.183 0.058 -12.312 146 HD3 LYS 18 3HD LYS 18 -20.084 0.982 -11.108 147 HE2 LYS 18 2HE LYS 18 -22.150 0.330 -11.985 148 HE3 LYS 18 3HE LYS 18 -21.443 -0.167 -13.522 149 HZ1 LYS 18 3HZ LYS 18 -21.584 -2.205 -12.642 150 HZ2 LYS 18 1HZ LYS 18 -21.703 -1.640 -11.051 151 HZ3 LYS 18 2HZ LYS 18 -20.187 -1.782 -11.787 152 H GLU 19 H GLU 19 -20.520 6.372 -11.265 153 HA GLU 19 HA GLU 19 -23.213 6.945 -11.834 154 HB2 GLU 19 2HB GLU 19 -22.254 7.651 -9.745 155 HB3 GLU 19 3HB GLU 19 -21.047 8.627 -10.571 156 HG2 GLU 19 2HG GLU 19 -22.393 10.375 -10.532 157 HG3 GLU 19 3HG GLU 19 -23.628 9.477 -11.412 158 H LYS 20 H LYS 20 -20.230 8.578 -12.881 159 HA LYS 20 HA LYS 20 -21.771 10.148 -14.806 160 HB2 LYS 20 2HB LYS 20 -18.807 10.327 -14.279 161 HB3 LYS 20 3HB LYS 20 -19.841 11.527 -15.043 162 HG2 LYS 20 2HG LYS 20 -20.928 11.078 -12.498 163 HG3 LYS 20 3HG LYS 20 -19.181 11.194 -12.277 164 HD2 LYS 20 2HD LYS 20 -19.393 13.275 -13.824 165 HD3 LYS 20 3HD LYS 20 -21.096 13.222 -13.362 166 HE2 LYS 20 2HE LYS 20 -20.166 14.649 -11.783 167 HE3 LYS 20 3HE LYS 20 -20.203 13.098 -10.945 168 HZ1 LYS 20 3HZ LYS 20 -18.087 13.949 -10.538 169 HZ2 LYS 20 1HZ LYS 20 -17.878 14.488 -12.129 170 HZ3 LYS 20 2HZ LYS 20 -17.834 12.833 -11.784 171 H MET 21 H MET 21 -19.426 7.567 -14.632 172 HA MET 21 HA MET 21 -18.573 7.557 -17.307 173 HB2 MET 21 2HB MET 21 -17.328 6.267 -15.761 174 HB3 MET 21 3HB MET 21 -18.755 5.395 -15.219 175 HG2 MET 21 2HG MET 21 -18.905 4.312 -17.419 176 HG3 MET 21 3HG MET 21 -17.437 5.152 -17.912 177 HE1 MET 21 3HE MET 21 -17.714 1.236 -17.022 178 HE2 MET 21 1HE MET 21 -17.975 2.428 -18.295 179 HE3 MET 21 2HE MET 21 -16.358 1.789 -18.005 180 H LYS 22 H LYS 22 -20.720 5.092 -15.901 181 HA LYS 22 HA LYS 22 -21.746 4.119 -18.263 182 HB2 LYS 22 2HB LYS 22 -22.079 3.087 -16.035 183 HB3 LYS 22 3HB LYS 22 -23.229 4.357 -15.638 184 HG2 LYS 22 2HG LYS 22 -24.838 3.536 -17.068 185 HG3 LYS 22 3HG LYS 22 -23.662 2.680 -18.068 186 HD2 LYS 22 2HD LYS 22 -23.877 0.823 -16.855 187 HD3 LYS 22 3HD LYS 22 -23.620 1.707 -15.349 188 HE2 LYS 22 2HE LYS 22 -26.229 1.453 -16.844 189 HE3 LYS 22 3HE LYS 22 -25.795 0.603 -15.361 190 HZ1 LYS 22 3HZ LYS 22 -26.956 2.349 -14.511 191 HZ2 LYS 22 1HZ LYS 22 -26.518 3.414 -15.751 192 HZ3 LYS 22 2HZ LYS 22 -25.413 3.043 -14.524 193 H ASN 23 H ASN 23 -22.589 7.032 -16.558 194 HA ASN 23 HA ASN 23 -25.066 7.502 -17.884 195 HB2 ASN 23 2HB ASN 23 -24.394 8.537 -15.702 196 HB3 ASN 23 3HB ASN 23 -23.246 9.539 -16.586 197 HD21 ASN 23 1HD2 ASN 23 -26.244 9.471 -15.274 198 HD22 ASN 23 2HD2 ASN 23 -26.997 10.721 -16.199 199 H SER 24 H SER 24 -21.817 8.907 -18.292 200 HA SER 24 HA SER 24 -22.410 9.314 -21.128 201 HB2 SER 24 2HB SER 24 -20.943 11.587 -20.403 202 HB3 SER 24 3HB SER 24 -22.644 11.529 -20.863 203 HG SER 24 HG SER 24 -21.530 11.422 -18.263 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.636 0.776 0.105 2 HA2 GLY 1 2HA GLY 1 3.034 0.518 -1.154 3 HA3 GLY 1 3HA GLY 1 2.215 -0.989 -1.535 4 H ARG 2 H ARG 2 3.023 0.957 -3.435 5 HA ARG 2 HA ARG 2 1.024 2.725 -4.236 6 HB2 ARG 2 2HB ARG 2 2.075 2.680 -6.435 7 HB3 ARG 2 3HB ARG 2 3.297 2.722 -5.172 8 HG2 ARG 2 2HG ARG 2 2.546 0.031 -6.058 9 HG3 ARG 2 3HG ARG 2 3.317 1.034 -7.288 10 HD2 ARG 2 2HD ARG 2 4.565 1.072 -4.615 11 HD3 ARG 2 3HD ARG 2 4.672 -0.452 -5.495 12 HE ARG 2 HE ARG 2 5.461 1.337 -7.341 13 HH11 ARG 2 1HH1 ARG 2 6.405 0.804 -4.033 14 HH12 ARG 2 2HH1 ARG 2 8.027 1.367 -4.268 15 HH21 ARG 2 1HH2 ARG 2 7.593 2.080 -7.663 16 HH22 ARG 2 2HH2 ARG 2 8.701 2.093 -6.333 17 H GLY 3 H GLY 3 1.161 -0.713 -4.420 18 HA2 GLY 3 2HA GLY 3 -1.128 -0.752 -6.277 19 HA3 GLY 3 3HA GLY 3 -0.056 -2.110 -5.968 20 H ARG 4 H ARG 4 -0.102 -1.646 -3.056 21 HA ARG 4 HA ARG 4 -2.335 -3.295 -2.446 22 HB2 ARG 4 2HB ARG 4 -0.513 -1.769 -0.576 23 HB3 ARG 4 3HB ARG 4 -1.607 -3.067 -0.115 24 HG2 ARG 4 2HG ARG 4 -0.218 -4.377 -1.956 25 HG3 ARG 4 3HG ARG 4 1.003 -3.185 -1.507 26 HD2 ARG 4 2HD ARG 4 -0.298 -4.308 0.820 27 HD3 ARG 4 3HD ARG 4 0.419 -5.564 -0.189 28 HE ARG 4 HE ARG 4 2.222 -3.404 0.226 29 HH11 ARG 4 1HH1 ARG 4 0.871 -6.233 1.741 30 HH12 ARG 4 2HH1 ARG 4 2.234 -6.488 2.779 31 HH21 ARG 4 1HH2 ARG 4 4.022 -3.729 1.589 32 HH22 ARG 4 2HH2 ARG 4 4.026 -5.062 2.693 33 H GLU 5 H GLU 5 -1.629 0.137 -2.000 34 HA GLU 5 HA GLU 5 -4.179 0.599 -0.694 35 HB2 GLU 5 2HB GLU 5 -1.947 1.796 -0.181 36 HB3 GLU 5 3HB GLU 5 -2.288 2.744 -1.621 37 HG2 GLU 5 2HG GLU 5 -3.231 4.102 -0.082 38 HG3 GLU 5 3HG GLU 5 -4.618 3.063 -0.402 39 H PHE 6 H PHE 6 -3.165 0.238 -3.825 40 HA PHE 6 HA PHE 6 -5.004 2.212 -4.945 41 HB2 PHE 6 2HB PHE 6 -2.764 1.982 -5.955 42 HB3 PHE 6 3HB PHE 6 -3.118 0.302 -6.341 43 HD1 PHE 6 HD2 PHE 6 -4.124 3.791 -7.038 44 HD2 PHE 6 HD1 PHE 6 -4.288 -0.273 -8.291 45 HE1 PHE 6 HE2 PHE 6 -5.098 4.496 -9.184 46 HE2 PHE 6 HE1 PHE 6 -5.261 0.425 -10.440 47 HZ PHE 6 HZ PHE 6 -5.668 2.812 -10.889 48 H MET 7 H MET 7 -4.500 -1.285 -4.807 49 HA MET 7 HA MET 7 -6.572 -2.086 -6.490 50 HB2 MET 7 2HB MET 7 -6.524 -4.220 -5.189 51 HB3 MET 7 3HB MET 7 -4.945 -3.686 -5.750 52 HG2 MET 7 2HG MET 7 -4.571 -2.703 -3.481 53 HG3 MET 7 3HG MET 7 -6.060 -3.492 -2.967 54 HE1 MET 7 3HE MET 7 -6.289 -6.377 -3.198 55 HE2 MET 7 1HE MET 7 -5.082 -6.890 -2.018 56 HE3 MET 7 2HE MET 7 -6.030 -5.431 -1.731 57 H SER 8 H SER 8 -6.598 -1.490 -2.988 58 HA SER 8 HA SER 8 -9.334 -2.145 -2.630 59 HB2 SER 8 2HB SER 8 -7.688 -2.135 -0.780 60 HB3 SER 8 3HB SER 8 -7.570 -0.380 -0.914 61 HG SER 8 HG SER 8 -9.363 -1.827 0.429 62 H ASN 9 H ASN 9 -7.641 0.977 -2.879 63 HA ASN 9 HA ASN 9 -9.879 2.629 -2.666 64 HB2 ASN 9 2HB ASN 9 -7.582 3.475 -2.526 65 HB3 ASN 9 3HB ASN 9 -7.330 3.101 -4.229 66 HD21 ASN 9 1HD2 ASN 9 -7.352 4.850 -5.421 67 HD22 ASN 9 2HD2 ASN 9 -8.380 6.223 -5.207 68 H LEU 10 H LEU 10 -8.506 0.968 -5.446 69 HA LEU 10 HA LEU 10 -9.786 2.198 -7.541 70 HB2 LEU 10 2HB LEU 10 -8.135 0.311 -7.647 71 HB3 LEU 10 3HB LEU 10 -9.465 -0.784 -7.276 72 HG LEU 10 HG LEU 10 -10.538 0.330 -9.408 73 HD11 LEU 10 1HD1 LEU 10 -7.813 0.381 -10.488 74 HD12 LEU 10 2HD1 LEU 10 -8.205 1.715 -9.404 75 HD13 LEU 10 3HD1 LEU 10 -9.195 1.421 -10.833 76 HD21 LEU 10 3HD2 LEU 10 -8.421 -1.805 -9.343 77 HD22 LEU 10 1HD2 LEU 10 -9.373 -1.443 -10.783 78 HD23 LEU 10 2HD2 LEU 10 -10.174 -2.002 -9.314 79 H LYS 11 H LYS 11 -11.013 -0.748 -5.942 80 HA LYS 11 HA LYS 11 -13.540 -0.722 -7.106 81 HB2 LYS 11 2HB LYS 11 -12.194 -2.181 -5.039 82 HB3 LYS 11 3HB LYS 11 -13.813 -1.772 -4.487 83 HG2 LYS 11 2HG LYS 11 -14.743 -2.780 -6.527 84 HG3 LYS 11 3HG LYS 11 -13.111 -3.233 -7.026 85 HD2 LYS 11 2HD LYS 11 -13.146 -4.286 -4.551 86 HD3 LYS 11 3HD LYS 11 -14.862 -4.402 -4.952 87 HE2 LYS 11 2HE LYS 11 -12.721 -5.362 -6.828 88 HE3 LYS 11 3HE LYS 11 -13.363 -6.389 -5.547 89 HZ1 LYS 11 3HZ LYS 11 -15.418 -5.130 -7.098 90 HZ2 LYS 11 1HZ LYS 11 -15.214 -6.762 -6.699 91 HZ3 LYS 11 2HZ LYS 11 -14.411 -6.113 -8.038 92 H GLU 12 H GLU 12 -12.316 0.974 -4.291 93 HA GLU 12 HA GLU 12 -14.799 1.805 -3.237 94 HB2 GLU 12 2HB GLU 12 -12.025 2.969 -3.009 95 HB3 GLU 12 3HB GLU 12 -13.410 3.617 -2.141 96 HG2 GLU 12 2HG GLU 12 -13.716 1.476 -1.016 97 HG3 GLU 12 3HG GLU 12 -12.337 0.815 -1.893 98 H LYS 13 H LYS 13 -12.789 3.014 -5.814 99 HA LYS 13 HA LYS 13 -14.324 5.475 -6.048 100 HB2 LYS 13 2HB LYS 13 -11.714 4.910 -6.565 101 HB3 LYS 13 3HB LYS 13 -12.405 4.770 -8.176 102 HG2 LYS 13 2HG LYS 13 -12.557 7.168 -6.361 103 HG3 LYS 13 3HG LYS 13 -11.579 7.006 -7.821 104 HD2 LYS 13 2HD LYS 13 -13.615 6.782 -9.161 105 HD3 LYS 13 3HD LYS 13 -14.595 6.935 -7.700 106 HE2 LYS 13 2HE LYS 13 -12.840 9.128 -7.705 107 HE3 LYS 13 3HE LYS 13 -13.450 8.987 -9.353 108 HZ1 LYS 13 3HZ LYS 13 -15.136 10.185 -8.495 109 HZ2 LYS 13 1HZ LYS 13 -14.860 9.674 -6.906 110 HZ3 LYS 13 2HZ LYS 13 -15.698 8.674 -7.981 111 H LEU 14 H LEU 14 -13.831 2.443 -7.783 112 HA LEU 14 HA LEU 14 -15.210 2.978 -10.123 113 HB2 LEU 14 2HB LEU 14 -15.080 0.412 -8.547 114 HB3 LEU 14 3HB LEU 14 -15.668 0.540 -10.203 115 HG LEU 14 HG LEU 14 -12.893 1.428 -9.519 116 HD11 LEU 14 1HD1 LEU 14 -13.930 -1.292 -9.394 117 HD12 LEU 14 2HD1 LEU 14 -12.395 -0.634 -8.828 118 HD13 LEU 14 3HD1 LEU 14 -12.583 -1.105 -10.517 119 HD21 LEU 14 3HD2 LEU 14 -13.439 0.016 -12.013 120 HD22 LEU 14 1HD2 LEU 14 -12.626 1.555 -11.734 121 HD23 LEU 14 2HD2 LEU 14 -14.386 1.491 -11.817 122 H SER 15 H SER 15 -16.431 2.298 -6.922 123 HA SER 15 HA SER 15 -19.101 1.710 -7.630 124 HB2 SER 15 2HB SER 15 -19.607 1.907 -5.325 125 HB3 SER 15 3HB SER 15 -17.941 1.329 -5.376 126 HG SER 15 HG SER 15 -17.226 3.361 -4.875 127 H GLY 16 H GLY 16 -17.330 4.665 -7.443 128 HA2 GLY 16 2HA GLY 16 -19.826 6.225 -7.587 129 HA3 GLY 16 3HA GLY 16 -18.255 6.869 -7.135 130 H VAL 17 H VAL 17 -16.837 5.536 -9.296 131 HA VAL 17 HA VAL 17 -16.901 7.524 -11.234 132 HB VAL 17 HB VAL 17 -15.143 5.648 -10.790 133 HG11 VAL 17 1HG1 VAL 17 -16.532 4.367 -13.121 134 HG12 VAL 17 2HG1 VAL 17 -15.247 3.716 -12.102 135 HG13 VAL 17 3HG1 VAL 17 -16.881 3.885 -11.461 136 HG21 VAL 17 3HG2 VAL 17 -15.781 7.243 -13.147 137 HG22 VAL 17 1HG2 VAL 17 -14.246 7.024 -12.307 138 HG23 VAL 17 2HG2 VAL 17 -14.771 5.842 -13.505 139 H LYS 18 H LYS 18 -18.797 4.612 -10.941 140 HA LYS 18 HA LYS 18 -19.751 4.484 -13.600 141 HB2 LYS 18 2HB LYS 18 -20.535 3.307 -10.986 142 HB3 LYS 18 3HB LYS 18 -21.752 3.315 -12.256 143 HG2 LYS 18 2HG LYS 18 -20.466 1.953 -13.657 144 HG3 LYS 18 3HG LYS 18 -18.992 2.243 -12.730 145 HD2 LYS 18 2HD LYS 18 -20.180 1.094 -10.791 146 HD3 LYS 18 3HD LYS 18 -21.374 0.566 -11.979 147 HE2 LYS 18 2HE LYS 18 -18.432 0.076 -12.340 148 HE3 LYS 18 3HE LYS 18 -19.462 -1.037 -11.442 149 HZ1 LYS 18 3HZ LYS 18 -20.800 -1.375 -13.386 150 HZ2 LYS 18 1HZ LYS 18 -19.182 -1.652 -13.793 151 HZ3 LYS 18 2HZ LYS 18 -19.934 -0.209 -14.253 152 H GLU 19 H GLU 19 -20.410 6.635 -11.051 153 HA GLU 19 HA GLU 19 -23.097 7.291 -11.558 154 HB2 GLU 19 2HB GLU 19 -22.048 8.025 -9.523 155 HB3 GLU 19 3HB GLU 19 -20.833 8.929 -10.416 156 HG2 GLU 19 2HG GLU 19 -22.112 10.727 -10.392 157 HG3 GLU 19 3HG GLU 19 -23.405 9.848 -11.208 158 H LYS 20 H LYS 20 -20.090 8.777 -12.745 159 HA LYS 20 HA LYS 20 -21.630 10.342 -14.675 160 HB2 LYS 20 2HB LYS 20 -18.654 10.416 -14.168 161 HB3 LYS 20 3HB LYS 20 -19.611 11.598 -15.051 162 HG2 LYS 20 2HG LYS 20 -19.981 11.007 -12.125 163 HG3 LYS 20 3HG LYS 20 -18.937 12.287 -12.748 164 HD2 LYS 20 2HD LYS 20 -21.788 12.140 -13.633 165 HD3 LYS 20 3HD LYS 20 -21.398 12.821 -12.051 166 HE2 LYS 20 2HE LYS 20 -19.667 14.232 -13.373 167 HE3 LYS 20 3HE LYS 20 -20.643 13.801 -14.777 168 HZ1 LYS 20 3HZ LYS 20 -21.240 15.610 -12.596 169 HZ2 LYS 20 1HZ LYS 20 -22.522 14.609 -13.061 170 HZ3 LYS 20 2HZ LYS 20 -21.787 15.624 -14.196 171 H MET 21 H MET 21 -19.378 7.681 -14.486 172 HA MET 21 HA MET 21 -18.608 7.555 -17.183 173 HB2 MET 21 2HB MET 21 -17.364 6.268 -15.633 174 HB3 MET 21 3HB MET 21 -18.805 5.468 -15.021 175 HG2 MET 21 2HG MET 21 -19.062 4.323 -17.179 176 HG3 MET 21 3HG MET 21 -17.579 5.091 -17.743 177 HE1 MET 21 3HE MET 21 -15.504 5.090 -16.397 178 HE2 MET 21 1HE MET 21 -14.866 3.702 -15.515 179 HE3 MET 21 2HE MET 21 -15.047 3.625 -17.268 180 H LYS 22 H LYS 22 -20.799 5.218 -15.635 181 HA LYS 22 HA LYS 22 -21.933 4.210 -17.933 182 HB2 LYS 22 2HB LYS 22 -22.413 4.025 -15.140 183 HB3 LYS 22 3HB LYS 22 -23.961 4.323 -15.919 184 HG2 LYS 22 2HG LYS 22 -22.725 2.385 -17.492 185 HG3 LYS 22 3HG LYS 22 -22.385 1.917 -15.824 186 HD2 LYS 22 2HD LYS 22 -24.914 2.393 -15.453 187 HD3 LYS 22 3HD LYS 22 -25.021 2.230 -17.208 188 HE2 LYS 22 2HE LYS 22 -23.699 0.026 -16.816 189 HE3 LYS 22 3HE LYS 22 -24.263 0.190 -15.153 190 HZ1 LYS 22 3HZ LYS 22 -26.513 0.599 -16.585 191 HZ2 LYS 22 1HZ LYS 22 -26.062 -0.876 -15.890 192 HZ3 LYS 22 2HZ LYS 22 -25.719 -0.568 -17.517 193 H ASN 23 H ASN 23 -22.616 7.205 -16.299 194 HA ASN 23 HA ASN 23 -25.114 7.726 -17.566 195 HB2 ASN 23 2HB ASN 23 -24.338 8.803 -15.440 196 HB3 ASN 23 3HB ASN 23 -23.181 9.733 -16.389 197 HD21 ASN 23 1HD2 ASN 23 -25.157 10.877 -14.788 198 HD22 ASN 23 2HD2 ASN 23 -26.273 11.714 -15.807 199 H SER 24 H SER 24 -21.828 8.994 -18.116 200 HA SER 24 HA SER 24 -22.478 10.509 -20.395 201 HB2 SER 24 2HB SER 24 -20.417 10.888 -19.137 202 HB3 SER 24 3HB SER 24 -19.826 9.289 -19.589 203 HG SER 24 HG SER 24 -19.562 9.955 -21.650 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.940 1.154 0.222 2 HA2 GLY 1 2HA GLY 1 2.030 -0.912 -1.467 3 HA3 GLY 1 3HA GLY 1 1.039 -0.008 -0.331 4 H ARG 2 H ARG 2 2.805 1.038 -3.235 5 HA ARG 2 HA ARG 2 0.844 2.807 -4.116 6 HB2 ARG 2 2HB ARG 2 2.014 2.807 -6.254 7 HB3 ARG 2 3HB ARG 2 3.166 2.829 -4.925 8 HG2 ARG 2 2HG ARG 2 2.507 0.140 -5.837 9 HG3 ARG 2 3HG ARG 2 3.243 1.151 -7.082 10 HD2 ARG 2 2HD ARG 2 4.352 0.606 -4.330 11 HD3 ARG 2 3HD ARG 2 4.946 -0.069 -5.846 12 HE ARG 2 HE ARG 2 5.109 2.611 -6.232 13 HH11 ARG 2 1HH1 ARG 2 6.274 0.449 -3.765 14 HH12 ARG 2 2HH1 ARG 2 7.668 1.411 -3.398 15 HH21 ARG 2 1HH2 ARG 2 6.940 3.886 -5.758 16 HH22 ARG 2 2HH2 ARG 2 8.045 3.366 -4.531 17 H GLY 3 H GLY 3 1.015 -0.628 -4.360 18 HA2 GLY 3 2HA GLY 3 -1.204 -0.629 -6.305 19 HA3 GLY 3 3HA GLY 3 -0.108 -1.976 -6.035 20 H ARG 4 H ARG 4 -0.240 -1.653 -3.105 21 HA ARG 4 HA ARG 4 -2.465 -3.370 -2.643 22 HB2 ARG 4 2HB ARG 4 -0.698 -1.951 -0.641 23 HB3 ARG 4 3HB ARG 4 -1.775 -3.297 -0.296 24 HG2 ARG 4 2HG ARG 4 -0.321 -4.443 -2.200 25 HG3 ARG 4 3HG ARG 4 0.866 -3.270 -1.628 26 HD2 ARG 4 2HD ARG 4 1.109 -4.293 0.378 27 HD3 ARG 4 3HD ARG 4 -0.583 -4.783 0.451 28 HE ARG 4 HE ARG 4 0.746 -6.245 -1.559 29 HH11 ARG 4 1HH1 ARG 4 0.543 -5.965 1.905 30 HH12 ARG 4 2HH1 ARG 4 0.971 -7.618 2.195 31 HH21 ARG 4 1HH2 ARG 4 1.312 -8.424 -1.190 32 HH22 ARG 4 2HH2 ARG 4 1.409 -9.016 0.434 33 H GLU 5 H GLU 5 -1.829 0.046 -2.106 34 HA GLU 5 HA GLU 5 -4.373 0.417 -0.750 35 HB2 GLU 5 2HB GLU 5 -2.179 1.630 -0.175 36 HB3 GLU 5 3HB GLU 5 -2.493 2.607 -1.602 37 HG2 GLU 5 2HG GLU 5 -4.416 3.552 -0.679 38 HG3 GLU 5 3HG GLU 5 -4.538 2.309 0.565 39 H PHE 6 H PHE 6 -3.353 0.195 -3.895 40 HA PHE 6 HA PHE 6 -5.223 2.178 -4.941 41 HB2 PHE 6 2HB PHE 6 -2.815 0.907 -5.910 42 HB3 PHE 6 3HB PHE 6 -4.121 0.727 -7.077 43 HD1 PHE 6 HD1 PHE 6 -2.217 3.215 -5.108 44 HD2 PHE 6 HD2 PHE 6 -4.788 2.519 -8.428 45 HE1 PHE 6 HE1 PHE 6 -1.832 5.518 -5.884 46 HE2 PHE 6 HE2 PHE 6 -4.406 4.821 -9.210 47 HZ PHE 6 HZ PHE 6 -2.926 6.323 -7.938 48 H MET 7 H MET 7 -4.699 -1.313 -4.883 49 HA MET 7 HA MET 7 -6.745 -2.099 -6.602 50 HB2 MET 7 2HB MET 7 -6.709 -4.250 -5.325 51 HB3 MET 7 3HB MET 7 -5.126 -3.705 -5.863 52 HG2 MET 7 2HG MET 7 -4.784 -2.744 -3.576 53 HG3 MET 7 3HG MET 7 -6.271 -3.555 -3.090 54 HE1 MET 7 3HE MET 7 -6.531 -6.170 -2.818 55 HE2 MET 7 1HE MET 7 -5.137 -6.867 -1.992 56 HE3 MET 7 2HE MET 7 -5.787 -5.314 -1.467 57 H SER 8 H SER 8 -6.825 -1.563 -3.091 58 HA SER 8 HA SER 8 -9.563 -2.231 -2.782 59 HB2 SER 8 2HB SER 8 -7.946 -2.235 -0.907 60 HB3 SER 8 3HB SER 8 -7.831 -0.478 -1.020 61 HG SER 8 HG SER 8 -9.825 -2.060 0.048 62 H ASN 9 H ASN 9 -7.889 0.908 -2.946 63 HA ASN 9 HA ASN 9 -10.139 2.541 -2.754 64 HB2 ASN 9 2HB ASN 9 -7.855 3.405 -2.566 65 HB3 ASN 9 3HB ASN 9 -7.566 3.047 -4.266 66 HD21 ASN 9 1HD2 ASN 9 -7.514 4.846 -5.387 67 HD22 ASN 9 2HD2 ASN 9 -8.579 6.194 -5.205 68 H LEU 10 H LEU 10 -8.713 0.929 -5.536 69 HA LEU 10 HA LEU 10 -9.973 2.180 -7.632 70 HB2 LEU 10 2HB LEU 10 -8.302 0.306 -7.736 71 HB3 LEU 10 3HB LEU 10 -9.632 -0.804 -7.409 72 HG LEU 10 HG LEU 10 -10.622 0.471 -9.559 73 HD11 LEU 10 1HD1 LEU 10 -8.361 1.735 -9.609 74 HD12 LEU 10 2HD1 LEU 10 -9.032 1.103 -11.112 75 HD13 LEU 10 3HD1 LEU 10 -7.734 0.235 -10.293 76 HD21 LEU 10 3HD2 LEU 10 -10.110 -2.017 -9.034 77 HD22 LEU 10 1HD2 LEU 10 -8.656 -1.740 -9.992 78 HD23 LEU 10 2HD2 LEU 10 -10.247 -1.497 -10.714 79 H LYS 11 H LYS 11 -11.194 -0.800 -6.091 80 HA LYS 11 HA LYS 11 -13.705 -0.780 -7.292 81 HB2 LYS 11 2HB LYS 11 -12.670 -1.967 -4.734 82 HB3 LYS 11 3HB LYS 11 -14.367 -2.119 -5.171 83 HG2 LYS 11 2HG LYS 11 -13.878 -3.865 -6.433 84 HG3 LYS 11 3HG LYS 11 -12.843 -2.847 -7.438 85 HD2 LYS 11 2HD LYS 11 -11.456 -4.596 -6.690 86 HD3 LYS 11 3HD LYS 11 -11.042 -3.211 -5.676 87 HE2 LYS 11 2HE LYS 11 -13.197 -4.694 -4.493 88 HE3 LYS 11 3HE LYS 11 -11.850 -5.773 -4.852 89 HZ1 LYS 11 3HZ LYS 11 -11.775 -4.701 -2.619 90 HZ2 LYS 11 1HZ LYS 11 -11.540 -3.213 -3.389 91 HZ3 LYS 11 2HZ LYS 11 -10.394 -4.445 -3.561 92 H GLU 12 H GLU 12 -12.535 0.887 -4.438 93 HA GLU 12 HA GLU 12 -15.041 1.676 -3.404 94 HB2 GLU 12 2HB GLU 12 -12.282 2.866 -3.123 95 HB3 GLU 12 3HB GLU 12 -13.685 3.484 -2.263 96 HG2 GLU 12 2HG GLU 12 -13.980 1.323 -1.175 97 HG3 GLU 12 3HG GLU 12 -12.584 0.691 -2.046 98 H LYS 13 H LYS 13 -13.009 2.944 -5.935 99 HA LYS 13 HA LYS 13 -14.567 5.392 -6.155 100 HB2 LYS 13 2HB LYS 13 -11.944 4.862 -6.642 101 HB3 LYS 13 3HB LYS 13 -12.611 4.742 -8.265 102 HG2 LYS 13 2HG LYS 13 -13.521 6.984 -8.084 103 HG3 LYS 13 3HG LYS 13 -12.925 7.108 -6.427 104 HD2 LYS 13 2HD LYS 13 -10.933 7.775 -7.157 105 HD3 LYS 13 3HD LYS 13 -10.780 6.329 -8.157 106 HE2 LYS 13 2HE LYS 13 -12.512 7.765 -9.644 107 HE3 LYS 13 3HE LYS 13 -11.600 9.068 -8.883 108 HZ1 LYS 13 3HZ LYS 13 -10.702 8.259 -11.054 109 HZ2 LYS 13 1HZ LYS 13 -10.313 6.799 -10.292 110 HZ3 LYS 13 2HZ LYS 13 -9.591 8.240 -9.779 111 H LEU 14 H LEU 14 -14.015 2.392 -7.928 112 HA LEU 14 HA LEU 14 -15.368 2.949 -10.278 113 HB2 LEU 14 2HB LEU 14 -15.227 0.359 -8.744 114 HB3 LEU 14 3HB LEU 14 -15.791 0.507 -10.407 115 HG LEU 14 HG LEU 14 -13.040 1.425 -9.669 116 HD11 LEU 14 1HD1 LEU 14 -12.730 -1.116 -10.706 117 HD12 LEU 14 2HD1 LEU 14 -14.030 -1.297 -9.530 118 HD13 LEU 14 3HD1 LEU 14 -12.476 -0.630 -9.030 119 HD21 LEU 14 3HD2 LEU 14 -14.529 0.655 -12.132 120 HD22 LEU 14 1HD2 LEU 14 -12.782 0.415 -12.079 121 HD23 LEU 14 2HD2 LEU 14 -13.459 2.027 -11.841 122 H SER 15 H SER 15 -16.622 2.215 -7.104 123 HA SER 15 HA SER 15 -19.275 1.600 -7.860 124 HB2 SER 15 2HB SER 15 -19.792 1.664 -5.576 125 HB3 SER 15 3HB SER 15 -18.079 1.248 -5.582 126 HG SER 15 HG SER 15 -18.698 2.963 -4.102 127 H GLY 16 H GLY 16 -17.541 4.569 -7.609 128 HA2 GLY 16 2HA GLY 16 -20.054 6.103 -7.752 129 HA3 GLY 16 3HA GLY 16 -18.498 6.757 -7.263 130 H VAL 17 H VAL 17 -17.041 5.468 -9.435 131 HA VAL 17 HA VAL 17 -17.089 7.497 -11.331 132 HB VAL 17 HB VAL 17 -15.324 5.628 -10.905 133 HG11 VAL 17 1HG1 VAL 17 -16.678 4.368 -13.265 134 HG12 VAL 17 2HG1 VAL 17 -15.402 3.712 -12.239 135 HG13 VAL 17 3HG1 VAL 17 -17.045 3.864 -11.616 136 HG21 VAL 17 3HG2 VAL 17 -14.423 7.033 -12.396 137 HG22 VAL 17 1HG2 VAL 17 -14.930 5.860 -13.613 138 HG23 VAL 17 2HG2 VAL 17 -15.953 7.249 -13.247 139 H LYS 18 H LYS 18 -18.968 4.565 -11.129 140 HA LYS 18 HA LYS 18 -19.891 4.505 -13.803 141 HB2 LYS 18 2HB LYS 18 -20.495 3.134 -11.290 142 HB3 LYS 18 3HB LYS 18 -21.907 3.347 -12.317 143 HG2 LYS 18 2HG LYS 18 -20.825 2.199 -14.131 144 HG3 LYS 18 3HG LYS 18 -19.317 2.103 -13.218 145 HD2 LYS 18 2HD LYS 18 -21.692 0.986 -11.877 146 HD3 LYS 18 3HD LYS 18 -21.157 0.124 -13.321 147 HE2 LYS 18 2HE LYS 18 -19.619 -0.876 -12.067 148 HE3 LYS 18 3HE LYS 18 -18.827 0.688 -11.886 149 HZ1 LYS 18 3HZ LYS 18 -20.936 -0.390 -10.093 150 HZ2 LYS 18 1HZ LYS 18 -20.150 1.098 -9.914 151 HZ3 LYS 18 2HZ LYS 18 -19.281 -0.343 -9.745 152 H GLU 19 H GLU 19 -20.603 6.562 -11.192 153 HA GLU 19 HA GLU 19 -23.293 7.196 -11.689 154 HB2 GLU 19 2HB GLU 19 -22.237 7.891 -9.636 155 HB3 GLU 19 3HB GLU 19 -21.058 8.854 -10.515 156 HG2 GLU 19 2HG GLU 19 -22.907 10.295 -11.318 157 HG3 GLU 19 3HG GLU 19 -24.013 9.376 -10.298 158 H LYS 20 H LYS 20 -20.302 8.711 -12.870 159 HA LYS 20 HA LYS 20 -21.871 10.305 -14.759 160 HB2 LYS 20 2HB LYS 20 -18.893 10.453 -14.307 161 HB3 LYS 20 3HB LYS 20 -19.934 11.658 -15.054 162 HG2 LYS 20 2HG LYS 20 -20.957 11.242 -12.476 163 HG3 LYS 20 3HG LYS 20 -19.203 11.344 -12.305 164 HD2 LYS 20 2HD LYS 20 -19.129 13.517 -12.972 165 HD3 LYS 20 3HD LYS 20 -20.501 13.340 -14.069 166 HE2 LYS 20 2HE LYS 20 -21.331 12.955 -11.341 167 HE3 LYS 20 3HE LYS 20 -20.488 14.493 -11.515 168 HZ1 LYS 20 3HZ LYS 20 -22.247 15.353 -12.524 169 HZ2 LYS 20 1HZ LYS 20 -23.106 13.931 -12.201 170 HZ3 LYS 20 2HZ LYS 20 -22.283 14.107 -13.668 171 H MET 21 H MET 21 -19.547 7.701 -14.609 172 HA MET 21 HA MET 21 -18.763 7.649 -17.305 173 HB2 MET 21 2HB MET 21 -17.491 6.369 -15.770 174 HB3 MET 21 3HB MET 21 -18.912 5.514 -15.186 175 HG2 MET 21 2HG MET 21 -19.121 4.408 -17.370 176 HG3 MET 21 3HG MET 21 -17.658 5.231 -17.906 177 HE1 MET 21 3HE MET 21 -15.841 4.354 -18.125 178 HE2 MET 21 1HE MET 21 -14.861 3.532 -16.910 179 HE3 MET 21 2HE MET 21 -15.798 2.591 -18.071 180 H LYS 22 H LYS 22 -20.888 5.215 -15.816 181 HA LYS 22 HA LYS 22 -21.986 4.230 -18.142 182 HB2 LYS 22 2HB LYS 22 -22.403 3.879 -15.388 183 HB3 LYS 22 3HB LYS 22 -23.982 4.280 -16.052 184 HG2 LYS 22 2HG LYS 22 -22.724 2.378 -17.761 185 HG3 LYS 22 3HG LYS 22 -22.645 1.800 -16.096 186 HD2 LYS 22 2HD LYS 22 -25.085 2.234 -15.891 187 HD3 LYS 22 3HD LYS 22 -25.115 2.655 -17.605 188 HE2 LYS 22 2HE LYS 22 -25.809 0.395 -17.453 189 HE3 LYS 22 3HE LYS 22 -24.155 0.371 -18.064 190 HZ1 LYS 22 3HZ LYS 22 -24.848 -0.005 -15.204 191 HZ2 LYS 22 1HZ LYS 22 -23.344 -0.253 -15.938 192 HZ3 LYS 22 2HZ LYS 22 -24.637 -1.285 -16.290 193 H ASN 23 H ASN 23 -22.759 7.160 -16.436 194 HA ASN 23 HA ASN 23 -25.276 7.634 -17.684 195 HB2 ASN 23 2HB ASN 23 -24.525 8.683 -15.534 196 HB3 ASN 23 3HB ASN 23 -23.403 9.672 -16.465 197 HD21 ASN 23 1HD2 ASN 23 -25.447 10.674 -14.818 198 HD22 ASN 23 2HD2 ASN 23 -26.578 11.514 -15.818 199 H SER 24 H SER 24 -22.028 9.000 -18.216 200 HA SER 24 HA SER 24 -21.106 10.088 -19.992 201 HB2 SER 24 2HB SER 24 -22.783 7.941 -21.194 202 HB3 SER 24 3HB SER 24 -22.137 9.170 -22.281 203 HG SER 24 HG SER 24 -20.188 8.399 -22.000 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.916 1.129 0.876 2 HA2 GLY 1 2HA GLY 1 2.987 0.554 -1.071 3 HA3 GLY 1 3HA GLY 1 1.856 -0.787 -1.166 4 H ARG 2 H ARG 2 3.011 1.151 -3.190 5 HA ARG 2 HA ARG 2 1.058 2.892 -4.142 6 HB2 ARG 2 2HB ARG 2 2.225 2.796 -6.279 7 HB3 ARG 2 3HB ARG 2 3.378 2.868 -4.954 8 HG2 ARG 2 2HG ARG 2 2.704 0.146 -5.752 9 HG3 ARG 2 3HG ARG 2 3.444 1.100 -7.039 10 HD2 ARG 2 2HD ARG 2 4.553 0.665 -4.267 11 HD3 ARG 2 3HD ARG 2 5.141 -0.077 -5.755 12 HE ARG 2 HE ARG 2 5.247 2.660 -6.142 13 HH11 ARG 2 1HH1 ARG 2 6.670 0.312 -4.001 14 HH12 ARG 2 2HH1 ARG 2 8.132 1.213 -3.774 15 HH21 ARG 2 1HH2 ARG 2 7.168 3.855 -5.851 16 HH22 ARG 2 2HH2 ARG 2 8.414 3.228 -4.826 17 H GLY 3 H GLY 3 1.210 -0.551 -4.243 18 HA2 GLY 3 2HA GLY 3 -1.011 -0.622 -6.184 19 HA3 GLY 3 3HA GLY 3 0.078 -1.963 -5.857 20 H ARG 4 H ARG 4 -0.051 -1.512 -2.943 21 HA ARG 4 HA ARG 4 -2.284 -3.197 -2.407 22 HB2 ARG 4 2HB ARG 4 -0.510 -1.700 -0.469 23 HB3 ARG 4 3HB ARG 4 -1.593 -3.025 -0.064 24 HG2 ARG 4 2HG ARG 4 -0.146 -4.261 -1.917 25 HG3 ARG 4 3HG ARG 4 1.047 -3.069 -1.398 26 HD2 ARG 4 2HD ARG 4 1.538 -4.503 0.243 27 HD3 ARG 4 3HD ARG 4 0.020 -3.989 0.980 28 HE ARG 4 HE ARG 4 -0.894 -6.023 0.445 29 HH11 ARG 4 1HH1 ARG 4 2.091 -5.604 -1.295 30 HH12 ARG 4 2HH1 ARG 4 2.136 -7.237 -1.872 31 HH21 ARG 4 1HH2 ARG 4 -0.847 -8.176 -0.308 32 HH22 ARG 4 2HH2 ARG 4 0.463 -8.699 -1.311 33 H GLU 5 H GLU 5 -1.630 0.236 -2.014 34 HA GLU 5 HA GLU 5 -4.173 0.678 -0.676 35 HB2 GLU 5 2HB GLU 5 -1.982 1.904 -0.144 36 HB3 GLU 5 3HB GLU 5 -2.271 2.812 -1.622 37 HG2 GLU 5 2HG GLU 5 -3.275 4.225 -0.187 38 HG3 GLU 5 3HG GLU 5 -4.645 3.151 -0.462 39 H PHE 6 H PHE 6 -3.156 0.315 -3.809 40 HA PHE 6 HA PHE 6 -5.017 2.259 -4.940 41 HB2 PHE 6 2HB PHE 6 -2.614 0.938 -5.852 42 HB3 PHE 6 3HB PHE 6 -3.921 0.708 -7.010 43 HD1 PHE 6 HD2 PHE 6 -2.032 3.289 -5.143 44 HD2 PHE 6 HD1 PHE 6 -4.561 2.428 -8.457 45 HE1 PHE 6 HE2 PHE 6 -1.642 5.553 -6.025 46 HE2 PHE 6 HE1 PHE 6 -4.174 4.690 -9.344 47 HZ PHE 6 HZ PHE 6 -2.714 6.256 -8.127 48 H MET 7 H MET 7 -4.508 -1.230 -4.735 49 HA MET 7 HA MET 7 -6.561 -2.077 -6.415 50 HB2 MET 7 2HB MET 7 -6.532 -4.173 -5.049 51 HB3 MET 7 3HB MET 7 -4.948 -3.658 -5.613 52 HG2 MET 7 2HG MET 7 -4.596 -2.604 -3.369 53 HG3 MET 7 3HG MET 7 -6.086 -3.386 -2.847 54 HE1 MET 7 3HE MET 7 -5.214 -7.150 -3.408 55 HE2 MET 7 1HE MET 7 -6.139 -6.201 -2.244 56 HE3 MET 7 2HE MET 7 -6.342 -5.917 -3.973 57 H SER 8 H SER 8 -6.632 -1.394 -2.930 58 HA SER 8 HA SER 8 -9.371 -2.037 -2.588 59 HB2 SER 8 2HB SER 8 -7.751 -1.970 -0.718 60 HB3 SER 8 3HB SER 8 -7.628 -0.220 -0.903 61 HG SER 8 HG SER 8 -9.408 -1.588 0.498 62 H ASN 9 H ASN 9 -7.683 1.085 -2.886 63 HA ASN 9 HA ASN 9 -9.925 2.736 -2.757 64 HB2 ASN 9 2HB ASN 9 -7.636 3.595 -2.610 65 HB3 ASN 9 3HB ASN 9 -7.354 3.166 -4.295 66 HD21 ASN 9 1HD2 ASN 9 -7.293 4.918 -5.486 67 HD22 ASN 9 2HD2 ASN 9 -8.352 6.278 -5.359 68 H LEU 10 H LEU 10 -8.513 1.002 -5.473 69 HA LEU 10 HA LEU 10 -9.772 2.171 -7.616 70 HB2 LEU 10 2HB LEU 10 -8.110 0.286 -7.645 71 HB3 LEU 10 3HB LEU 10 -9.444 -0.803 -7.270 72 HG LEU 10 HG LEU 10 -10.529 0.028 -9.413 73 HD11 LEU 10 1HD1 LEU 10 -9.004 0.948 -11.096 74 HD12 LEU 10 2HD1 LEU 10 -7.736 1.064 -9.876 75 HD13 LEU 10 3HD1 LEU 10 -9.199 2.036 -9.722 76 HD21 LEU 10 3HD2 LEU 10 -8.883 -2.066 -8.912 77 HD22 LEU 10 1HD2 LEU 10 -8.035 -1.282 -10.245 78 HD23 LEU 10 2HD2 LEU 10 -9.711 -1.793 -10.446 79 H LYS 11 H LYS 11 -11.004 -0.736 -5.949 80 HA LYS 11 HA LYS 11 -13.517 -0.754 -7.145 81 HB2 LYS 11 2HB LYS 11 -12.305 -1.969 -4.736 82 HB3 LYS 11 3HB LYS 11 -14.060 -1.867 -4.737 83 HG2 LYS 11 2HG LYS 11 -14.267 -3.508 -6.232 84 HG3 LYS 11 3HG LYS 11 -12.966 -2.874 -7.243 85 HD2 LYS 11 2HD LYS 11 -11.308 -3.875 -5.773 86 HD3 LYS 11 3HD LYS 11 -12.584 -4.456 -4.701 87 HE2 LYS 11 2HE LYS 11 -13.450 -5.554 -6.956 88 HE3 LYS 11 3HE LYS 11 -11.741 -5.441 -7.375 89 HZ1 LYS 11 3HZ LYS 11 -11.267 -7.140 -6.050 90 HZ2 LYS 11 1HZ LYS 11 -12.929 -7.414 -5.894 91 HZ3 LYS 11 2HZ LYS 11 -12.116 -6.475 -4.746 92 H GLU 12 H GLU 12 -12.333 1.024 -4.366 93 HA GLU 12 HA GLU 12 -14.832 1.867 -3.359 94 HB2 GLU 12 2HB GLU 12 -12.067 3.056 -3.135 95 HB3 GLU 12 3HB GLU 12 -13.465 3.715 -2.298 96 HG2 GLU 12 2HG GLU 12 -13.766 1.603 -1.120 97 HG3 GLU 12 3HG GLU 12 -12.375 0.929 -1.967 98 H LYS 13 H LYS 13 -12.802 3.019 -5.946 99 HA LYS 13 HA LYS 13 -14.350 5.463 -6.264 100 HB2 LYS 13 2HB LYS 13 -11.730 4.902 -6.735 101 HB3 LYS 13 3HB LYS 13 -12.402 4.718 -8.350 102 HG2 LYS 13 2HG LYS 13 -11.651 6.956 -8.143 103 HG3 LYS 13 3HG LYS 13 -13.416 6.991 -8.094 104 HD2 LYS 13 2HD LYS 13 -13.107 8.280 -6.276 105 HD3 LYS 13 3HD LYS 13 -12.824 6.742 -5.456 106 HE2 LYS 13 2HE LYS 13 -10.798 7.477 -4.914 107 HE3 LYS 13 3HE LYS 13 -10.378 7.440 -6.625 108 HZ1 LYS 13 3HZ LYS 13 -11.859 9.777 -5.783 109 HZ2 LYS 13 1HZ LYS 13 -10.502 9.657 -6.786 110 HZ3 LYS 13 2HZ LYS 13 -10.315 9.640 -5.106 111 H LEU 14 H LEU 14 -13.813 2.389 -7.912 112 HA LEU 14 HA LEU 14 -15.172 2.855 -10.280 113 HB2 LEU 14 2HB LEU 14 -15.033 0.327 -8.644 114 HB3 LEU 14 3HB LEU 14 -15.599 0.412 -10.311 115 HG LEU 14 HG LEU 14 -12.845 1.354 -9.616 116 HD11 LEU 14 1HD1 LEU 14 -13.847 -1.385 -9.440 117 HD12 LEU 14 2HD1 LEU 14 -12.350 -0.680 -8.831 118 HD13 LEU 14 3HD1 LEU 14 -12.461 -1.196 -10.514 119 HD21 LEU 14 3HD2 LEU 14 -14.381 0.601 -12.027 120 HD22 LEU 14 1HD2 LEU 14 -12.678 0.141 -11.996 121 HD23 LEU 14 2HD2 LEU 14 -13.138 1.834 -11.808 122 H SER 15 H SER 15 -16.416 2.264 -7.075 123 HA SER 15 HA SER 15 -19.074 1.622 -7.798 124 HB2 SER 15 2HB SER 15 -19.596 1.823 -5.509 125 HB3 SER 15 3HB SER 15 -17.905 1.324 -5.519 126 HG SER 15 HG SER 15 -18.995 3.874 -5.002 127 H GLY 16 H GLY 16 -17.330 4.591 -7.678 128 HA2 GLY 16 2HA GLY 16 -19.839 6.126 -7.873 129 HA3 GLY 16 3HA GLY 16 -18.281 6.795 -7.413 130 H VAL 17 H VAL 17 -16.834 5.411 -9.536 131 HA VAL 17 HA VAL 17 -16.871 7.365 -11.508 132 HB VAL 17 HB VAL 17 -15.119 5.504 -11.018 133 HG11 VAL 17 1HG1 VAL 17 -16.496 4.152 -13.316 134 HG12 VAL 17 2HG1 VAL 17 -15.220 3.532 -12.266 135 HG13 VAL 17 3HG1 VAL 17 -16.860 3.724 -11.644 136 HG21 VAL 17 3HG2 VAL 17 -14.731 5.616 -13.732 137 HG22 VAL 17 1HG2 VAL 17 -15.754 7.020 -13.429 138 HG23 VAL 17 2HG2 VAL 17 -14.223 6.844 -12.572 139 H LYS 18 H LYS 18 -18.771 4.455 -11.193 140 HA LYS 18 HA LYS 18 -19.705 4.304 -13.859 141 HB2 LYS 18 2HB LYS 18 -19.911 2.384 -12.434 142 HB3 LYS 18 3HB LYS 18 -20.858 3.288 -11.260 143 HG2 LYS 18 2HG LYS 18 -22.675 3.491 -12.883 144 HG3 LYS 18 3HG LYS 18 -21.725 2.577 -14.056 145 HD2 LYS 18 2HD LYS 18 -23.093 0.943 -13.149 146 HD3 LYS 18 3HD LYS 18 -21.623 0.777 -12.186 147 HE2 LYS 18 2HE LYS 18 -22.731 1.247 -10.316 148 HE3 LYS 18 3HE LYS 18 -23.368 2.736 -11.012 149 HZ1 LYS 18 3HZ LYS 18 -25.039 1.232 -12.162 150 HZ2 LYS 18 1HZ LYS 18 -25.235 1.461 -10.498 151 HZ3 LYS 18 2HZ LYS 18 -24.551 0.028 -11.079 152 H GLU 19 H GLU 19 -20.419 6.438 -11.297 153 HA GLU 19 HA GLU 19 -23.093 7.086 -11.810 154 HB2 GLU 19 2HB GLU 19 -22.015 7.866 -9.803 155 HB3 GLU 19 3HB GLU 19 -20.832 8.774 -10.735 156 HG2 GLU 19 2HG GLU 19 -22.641 10.219 -11.573 157 HG3 GLU 19 3HG GLU 19 -23.783 9.339 -10.558 158 H LYS 20 H LYS 20 -20.104 8.498 -13.110 159 HA LYS 20 HA LYS 20 -21.689 10.013 -15.055 160 HB2 LYS 20 2HB LYS 20 -18.715 10.193 -14.574 161 HB3 LYS 20 3HB LYS 20 -19.730 11.336 -15.443 162 HG2 LYS 20 2HG LYS 20 -19.946 10.751 -12.498 163 HG3 LYS 20 3HG LYS 20 -19.070 12.115 -13.197 164 HD2 LYS 20 2HD LYS 20 -21.984 11.613 -13.750 165 HD3 LYS 20 3HD LYS 20 -21.433 12.570 -12.373 166 HE2 LYS 20 2HE LYS 20 -20.015 13.604 -14.512 167 HE3 LYS 20 3HE LYS 20 -21.611 13.276 -15.186 168 HZ1 LYS 20 3HZ LYS 20 -22.246 14.438 -12.865 169 HZ2 LYS 20 1HZ LYS 20 -22.086 15.276 -14.326 170 HZ3 LYS 20 2HZ LYS 20 -20.803 15.244 -13.224 171 H MET 21 H MET 21 -19.331 7.445 -14.789 172 HA MET 21 HA MET 21 -18.565 7.265 -17.483 173 HB2 MET 21 2HB MET 21 -17.274 6.077 -15.888 174 HB3 MET 21 3HB MET 21 -18.684 5.230 -15.264 175 HG2 MET 21 2HG MET 21 -18.878 4.028 -17.400 176 HG3 MET 21 3HG MET 21 -17.421 4.841 -17.967 177 HE1 MET 21 3HE MET 21 -16.036 2.403 -18.403 178 HE2 MET 21 1HE MET 21 -15.331 3.949 -17.927 179 HE3 MET 21 2HE MET 21 -14.804 2.461 -17.141 180 H LYS 22 H LYS 22 -20.644 4.872 -15.869 181 HA LYS 22 HA LYS 22 -21.749 3.773 -18.140 182 HB2 LYS 22 2HB LYS 22 -22.059 2.698 -16.023 183 HB3 LYS 22 3HB LYS 22 -22.917 4.090 -15.374 184 HG2 LYS 22 2HG LYS 22 -24.872 3.451 -16.254 185 HG3 LYS 22 3HG LYS 22 -24.136 2.938 -17.774 186 HD2 LYS 22 2HD LYS 22 -23.567 0.827 -16.908 187 HD3 LYS 22 3HD LYS 22 -23.823 1.349 -15.241 188 HE2 LYS 22 2HE LYS 22 -26.276 1.793 -16.235 189 HE3 LYS 22 3HE LYS 22 -25.772 0.470 -17.285 190 HZ1 LYS 22 3HZ LYS 22 -25.066 -0.214 -14.680 191 HZ2 LYS 22 1HZ LYS 22 -26.252 -0.926 -15.655 192 HZ3 LYS 22 2HZ LYS 22 -26.660 0.349 -14.621 193 H ASN 23 H ASN 23 -22.550 6.762 -16.553 194 HA ASN 23 HA ASN 23 -25.086 7.147 -17.789 195 HB2 ASN 23 2HB ASN 23 -24.323 8.305 -15.702 196 HB3 ASN 23 3HB ASN 23 -23.224 9.261 -16.691 197 HD21 ASN 23 1HD2 ASN 23 -25.702 9.829 -15.025 198 HD22 ASN 23 2HD2 ASN 23 -26.683 10.799 -16.065 199 H SER 24 H SER 24 -21.861 8.516 -18.434 200 HA SER 24 HA SER 24 -22.654 9.915 -20.767 201 HB2 SER 24 2HB SER 24 -19.999 9.118 -19.604 202 HB3 SER 24 3HB SER 24 -20.089 9.857 -21.202 203 HG SER 24 HG SER 24 -21.163 11.630 -20.232 Start of MODEL 7 1 H1 GLY 1 H GLY 1 0.542 1.094 0.511 2 HA2 GLY 1 2HA GLY 1 2.865 0.820 -0.704 3 HA3 GLY 1 3HA GLY 1 2.121 -0.702 -1.173 4 H ARG 2 H ARG 2 2.979 1.341 -2.958 5 HA ARG 2 HA ARG 2 0.971 3.057 -3.837 6 HB2 ARG 2 2HB ARG 2 2.158 3.118 -5.964 7 HB3 ARG 2 3HB ARG 2 3.298 3.161 -4.625 8 HG2 ARG 2 2HG ARG 2 2.731 0.464 -5.574 9 HG3 ARG 2 3HG ARG 2 3.447 1.511 -6.800 10 HD2 ARG 2 2HD ARG 2 4.547 0.969 -4.044 11 HD3 ARG 2 3HD ARG 2 5.175 0.330 -5.563 12 HE ARG 2 HE ARG 2 5.085 3.194 -5.497 13 HH11 ARG 2 1HH1 ARG 2 6.939 0.386 -4.604 14 HH12 ARG 2 2HH1 ARG 2 8.451 1.231 -4.583 15 HH21 ARG 2 1HH2 ARG 2 7.070 4.317 -5.473 16 HH22 ARG 2 2HH2 ARG 2 8.525 3.466 -5.076 17 H GLY 3 H GLY 3 1.253 -0.368 -4.119 18 HA2 GLY 3 2HA GLY 3 -0.946 -0.418 -6.086 19 HA3 GLY 3 3HA GLY 3 0.187 -1.734 -5.815 20 H ARG 4 H ARG 4 0.019 -1.458 -2.889 21 HA ARG 4 HA ARG 4 -2.167 -3.234 -2.469 22 HB2 ARG 4 2HB ARG 4 -0.448 -1.804 -0.434 23 HB3 ARG 4 3HB ARG 4 -1.497 -3.179 -0.115 24 HG2 ARG 4 2HG ARG 4 -0.005 -4.266 -2.024 25 HG3 ARG 4 3HG ARG 4 1.152 -3.074 -1.430 26 HD2 ARG 4 2HD ARG 4 1.330 -4.066 0.624 27 HD3 ARG 4 3HD ARG 4 -0.301 -4.733 0.561 28 HE ARG 4 HE ARG 4 0.579 -6.637 -0.327 29 HH11 ARG 4 1HH1 ARG 4 2.828 -4.031 -0.847 30 HH12 ARG 4 2HH1 ARG 4 4.055 -5.051 -1.523 31 HH21 ARG 4 1HH2 ARG 4 2.186 -7.990 -1.215 32 HH22 ARG 4 2HH2 ARG 4 3.688 -7.303 -1.733 33 H GLU 5 H GLU 5 -1.612 0.187 -1.862 34 HA GLU 5 HA GLU 5 -4.179 0.476 -0.529 35 HB2 GLU 5 2HB GLU 5 -2.017 1.725 0.093 36 HB3 GLU 5 3HB GLU 5 -2.338 2.722 -1.318 37 HG2 GLU 5 2HG GLU 5 -4.338 3.558 -0.399 38 HG3 GLU 5 3HG GLU 5 -4.353 2.337 0.871 39 H PHE 6 H PHE 6 -3.121 0.336 -3.666 40 HA PHE 6 HA PHE 6 -5.024 2.297 -4.694 41 HB2 PHE 6 2HB PHE 6 -2.832 2.271 -5.742 42 HB3 PHE 6 3HB PHE 6 -2.993 0.555 -6.104 43 HD1 PHE 6 HD1 PHE 6 -4.460 -0.210 -7.881 44 HD2 PHE 6 HD2 PHE 6 -3.971 3.935 -7.050 45 HE1 PHE 6 HE1 PHE 6 -5.473 0.342 -10.055 46 HE2 PHE 6 HE2 PHE 6 -4.984 4.494 -9.221 47 HZ PHE 6 HZ PHE 6 -5.738 2.696 -10.726 48 H MET 7 H MET 7 -4.420 -1.182 -4.698 49 HA MET 7 HA MET 7 -6.430 -1.978 -6.455 50 HB2 MET 7 2HB MET 7 -6.355 -4.155 -5.224 51 HB3 MET 7 3HB MET 7 -4.780 -3.561 -5.733 52 HG2 MET 7 2HG MET 7 -4.484 -2.643 -3.423 53 HG3 MET 7 3HG MET 7 -5.958 -3.496 -2.970 54 HE1 MET 7 3HE MET 7 -5.721 -6.421 -2.270 55 HE2 MET 7 1HE MET 7 -6.316 -5.859 -3.833 56 HE3 MET 7 2HE MET 7 -5.105 -7.139 -3.760 57 H SER 8 H SER 8 -6.556 -1.515 -2.935 58 HA SER 8 HA SER 8 -9.280 -2.255 -2.668 59 HB2 SER 8 2HB SER 8 -7.682 -2.260 -0.778 60 HB3 SER 8 3HB SER 8 -7.608 -0.500 -0.852 61 HG SER 8 HG SER 8 -9.223 -0.630 0.492 62 H ASN 9 H ASN 9 -7.678 0.924 -2.755 63 HA ASN 9 HA ASN 9 -9.967 2.501 -2.550 64 HB2 ASN 9 2HB ASN 9 -7.706 3.413 -2.321 65 HB3 ASN 9 3HB ASN 9 -7.393 3.097 -4.025 66 HD21 ASN 9 1HD2 ASN 9 -7.373 4.919 -5.109 67 HD22 ASN 9 2HD2 ASN 9 -8.471 6.239 -4.910 68 H LEU 10 H LEU 10 -8.476 0.981 -5.350 69 HA LEU 10 HA LEU 10 -9.745 2.245 -7.433 70 HB2 LEU 10 2HB LEU 10 -8.031 0.413 -7.558 71 HB3 LEU 10 3HB LEU 10 -9.337 -0.734 -7.267 72 HG LEU 10 HG LEU 10 -10.365 0.492 -9.392 73 HD11 LEU 10 1HD1 LEU 10 -8.931 1.543 -10.768 74 HD12 LEU 10 2HD1 LEU 10 -7.585 0.482 -10.353 75 HD13 LEU 10 3HD1 LEU 10 -8.015 1.819 -9.286 76 HD21 LEU 10 3HD2 LEU 10 -9.880 -1.420 -10.548 77 HD22 LEU 10 1HD2 LEU 10 -9.524 -1.958 -8.907 78 HD23 LEU 10 2HD2 LEU 10 -8.211 -1.475 -9.981 79 H LYS 11 H LYS 11 -10.913 -0.793 -5.967 80 HA LYS 11 HA LYS 11 -13.411 -0.805 -7.193 81 HB2 LYS 11 2HB LYS 11 -12.364 -2.713 -5.958 82 HB3 LYS 11 3HB LYS 11 -12.768 -1.902 -4.451 83 HG2 LYS 11 2HG LYS 11 -15.146 -1.999 -5.928 84 HG3 LYS 11 3HG LYS 11 -14.394 -3.586 -6.103 85 HD2 LYS 11 2HD LYS 11 -14.202 -3.773 -3.678 86 HD3 LYS 11 3HD LYS 11 -14.916 -2.170 -3.488 87 HE2 LYS 11 2HE LYS 11 -16.967 -3.018 -3.604 88 HE3 LYS 11 3HE LYS 11 -16.600 -3.800 -5.140 89 HZ1 LYS 11 3HZ LYS 11 -17.250 -5.193 -3.043 90 HZ2 LYS 11 1HZ LYS 11 -15.606 -5.033 -2.675 91 HZ3 LYS 11 2HZ LYS 11 -16.081 -5.760 -4.126 92 H GLU 12 H GLU 12 -12.309 0.828 -4.293 93 HA GLU 12 HA GLU 12 -14.843 1.540 -3.271 94 HB2 GLU 12 2HB GLU 12 -12.114 2.784 -2.934 95 HB3 GLU 12 3HB GLU 12 -13.540 3.353 -2.077 96 HG2 GLU 12 2HG GLU 12 -13.799 1.164 -1.037 97 HG3 GLU 12 3HG GLU 12 -12.379 0.581 -1.905 98 H LYS 13 H LYS 13 -12.813 2.904 -5.753 99 HA LYS 13 HA LYS 13 -14.422 5.322 -5.939 100 HB2 LYS 13 2HB LYS 13 -11.783 4.861 -6.409 101 HB3 LYS 13 3HB LYS 13 -12.430 4.755 -8.041 102 HG2 LYS 13 2HG LYS 13 -12.914 6.958 -8.141 103 HG3 LYS 13 3HG LYS 13 -13.323 7.059 -6.427 104 HD2 LYS 13 2HD LYS 13 -11.333 7.974 -6.049 105 HD3 LYS 13 3HD LYS 13 -10.575 6.463 -6.557 106 HE2 LYS 13 2HE LYS 13 -11.484 8.321 -8.683 107 HE3 LYS 13 3HE LYS 13 -10.070 8.797 -7.743 108 HZ1 LYS 13 3HZ LYS 13 -9.038 7.580 -9.322 109 HZ2 LYS 13 1HZ LYS 13 -10.388 6.612 -9.643 110 HZ3 LYS 13 2HZ LYS 13 -9.424 6.297 -8.289 111 H LEU 14 H LEU 14 -13.788 2.371 -7.767 112 HA LEU 14 HA LEU 14 -15.127 2.945 -10.120 113 HB2 LEU 14 2HB LEU 14 -14.952 0.331 -8.629 114 HB3 LEU 14 3HB LEU 14 -15.507 0.497 -10.294 115 HG LEU 14 HG LEU 14 -12.777 1.447 -9.513 116 HD11 LEU 14 1HD1 LEU 14 -13.725 -1.293 -9.455 117 HD12 LEU 14 2HD1 LEU 14 -12.189 -0.615 -8.918 118 HD13 LEU 14 3HD1 LEU 14 -12.413 -1.060 -10.610 119 HD21 LEU 14 3HD2 LEU 14 -14.273 0.824 -11.989 120 HD22 LEU 14 1HD2 LEU 14 -12.558 0.415 -11.967 121 HD23 LEU 14 2HD2 LEU 14 -13.072 2.076 -11.670 122 H SER 15 H SER 15 -16.404 2.110 -6.977 123 HA SER 15 HA SER 15 -19.035 1.465 -7.771 124 HB2 SER 15 2HB SER 15 -19.581 1.490 -5.492 125 HB3 SER 15 3HB SER 15 -17.860 1.103 -5.485 126 HG SER 15 HG SER 15 -17.396 3.164 -4.869 127 H GLY 16 H GLY 16 -17.367 4.468 -7.433 128 HA2 GLY 16 2HA GLY 16 -19.908 5.952 -7.592 129 HA3 GLY 16 3HA GLY 16 -18.369 6.630 -7.081 130 H VAL 17 H VAL 17 -16.854 5.424 -9.245 131 HA VAL 17 HA VAL 17 -16.942 7.470 -11.120 132 HB VAL 17 HB VAL 17 -15.132 5.639 -10.691 133 HG11 VAL 17 1HG1 VAL 17 -16.417 4.399 -13.102 134 HG12 VAL 17 2HG1 VAL 17 -15.133 3.755 -12.075 135 HG13 VAL 17 3HG1 VAL 17 -16.788 3.844 -11.470 136 HG21 VAL 17 3HG2 VAL 17 -15.761 7.296 -13.006 137 HG22 VAL 17 1HG2 VAL 17 -14.242 7.099 -12.132 138 HG23 VAL 17 2HG2 VAL 17 -14.694 5.944 -13.386 139 H LYS 18 H LYS 18 -18.742 4.488 -10.968 140 HA LYS 18 HA LYS 18 -19.623 4.409 -13.652 141 HB2 LYS 18 2HB LYS 18 -19.803 2.438 -12.291 142 HB3 LYS 18 3HB LYS 18 -20.807 3.277 -11.116 143 HG2 LYS 18 2HG LYS 18 -22.588 3.478 -12.776 144 HG3 LYS 18 3HG LYS 18 -21.580 2.634 -13.955 145 HD2 LYS 18 2HD LYS 18 -21.996 1.285 -11.355 146 HD3 LYS 18 3HD LYS 18 -23.397 1.394 -12.422 147 HE2 LYS 18 2HE LYS 18 -22.388 0.130 -14.084 148 HE3 LYS 18 3HE LYS 18 -20.762 0.462 -13.488 149 HZ1 LYS 18 3HZ LYS 18 -21.704 -1.843 -13.081 150 HZ2 LYS 18 1HZ LYS 18 -22.697 -1.126 -11.914 151 HZ3 LYS 18 2HZ LYS 18 -21.015 -1.056 -11.752 152 H GLU 19 H GLU 19 -20.438 6.444 -11.044 153 HA GLU 19 HA GLU 19 -23.122 7.036 -11.618 154 HB2 GLU 19 2HB GLU 19 -22.164 7.735 -9.528 155 HB3 GLU 19 3HB GLU 19 -20.948 8.704 -10.350 156 HG2 GLU 19 2HG GLU 19 -22.282 10.461 -10.316 157 HG3 GLU 19 3HG GLU 19 -23.524 9.570 -11.194 158 H LYS 20 H LYS 20 -20.130 8.651 -12.664 159 HA LYS 20 HA LYS 20 -21.661 10.237 -14.585 160 HB2 LYS 20 2HB LYS 20 -18.710 10.368 -13.940 161 HB3 LYS 20 3HB LYS 20 -19.631 11.531 -14.885 162 HG2 LYS 20 2HG LYS 20 -20.810 11.169 -12.283 163 HG3 LYS 20 3HG LYS 20 -19.106 11.610 -12.153 164 HD2 LYS 20 2HD LYS 20 -20.474 13.608 -12.183 165 HD3 LYS 20 3HD LYS 20 -19.513 13.519 -13.660 166 HE2 LYS 20 2HE LYS 20 -21.403 12.768 -14.921 167 HE3 LYS 20 3HE LYS 20 -22.371 12.584 -13.459 168 HZ1 LYS 20 3HZ LYS 20 -23.003 14.684 -13.630 169 HZ2 LYS 20 1HZ LYS 20 -22.140 14.833 -15.078 170 HZ3 LYS 20 2HZ LYS 20 -21.399 15.221 -13.608 171 H MET 21 H MET 21 -19.327 7.643 -14.423 172 HA MET 21 HA MET 21 -18.488 7.629 -17.101 173 HB2 MET 21 2HB MET 21 -17.244 6.329 -15.562 174 HB3 MET 21 3HB MET 21 -18.675 5.466 -15.014 175 HG2 MET 21 2HG MET 21 -18.843 4.386 -17.215 176 HG3 MET 21 3HG MET 21 -17.370 5.216 -17.713 177 HE1 MET 21 3HE MET 21 -14.601 3.622 -15.639 178 HE2 MET 21 1HE MET 21 -14.917 4.057 -17.319 179 HE3 MET 21 2HE MET 21 -15.294 5.197 -16.027 180 H LYS 22 H LYS 22 -20.646 5.177 -15.688 181 HA LYS 22 HA LYS 22 -21.688 4.209 -18.045 182 HB2 LYS 22 2HB LYS 22 -22.284 3.981 -15.253 183 HB3 LYS 22 3HB LYS 22 -23.792 4.155 -16.142 184 HG2 LYS 22 2HG LYS 22 -21.839 2.243 -17.253 185 HG3 LYS 22 3HG LYS 22 -22.585 1.804 -15.714 186 HD2 LYS 22 2HD LYS 22 -24.791 2.031 -16.672 187 HD3 LYS 22 3HD LYS 22 -24.108 2.625 -18.187 188 HE2 LYS 22 2HE LYS 22 -23.078 0.500 -18.620 189 HE3 LYS 22 3HE LYS 22 -23.539 -0.099 -17.027 190 HZ1 LYS 22 3HZ LYS 22 -25.793 -0.157 -17.641 191 HZ2 LYS 22 1HZ LYS 22 -24.961 -0.836 -18.949 192 HZ3 LYS 22 2HZ LYS 22 -25.533 0.753 -19.043 193 H ASN 23 H ASN 23 -22.509 7.128 -16.336 194 HA ASN 23 HA ASN 23 -24.984 7.617 -17.656 195 HB2 ASN 23 2HB ASN 23 -24.300 8.651 -15.479 196 HB3 ASN 23 3HB ASN 23 -23.143 9.640 -16.366 197 HD21 ASN 23 1HD2 ASN 23 -25.801 10.026 -14.820 198 HD22 ASN 23 2HD2 ASN 23 -26.675 11.118 -15.835 199 H SER 24 H SER 24 -21.727 9.002 -18.077 200 HA SER 24 HA SER 24 -20.704 9.974 -19.861 201 HB2 SER 24 2HB SER 24 -21.358 7.805 -20.946 202 HB3 SER 24 3HB SER 24 -22.815 8.601 -21.540 203 HG SER 24 HG SER 24 -20.490 8.561 -22.700 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.205 1.380 0.677 2 HA2 GLY 1 2HA GLY 1 3.006 0.358 -1.224 3 HA3 GLY 1 3HA GLY 1 1.675 -0.783 -1.099 4 H ARG 2 H ARG 2 3.004 1.203 -3.197 5 HA ARG 2 HA ARG 2 1.021 2.924 -4.125 6 HB2 ARG 2 2HB ARG 2 2.207 2.903 -6.254 7 HB3 ARG 2 3HB ARG 2 3.348 2.968 -4.918 8 HG2 ARG 2 2HG ARG 2 2.739 0.253 -5.785 9 HG3 ARG 2 3HG ARG 2 3.468 1.252 -7.043 10 HD2 ARG 2 2HD ARG 2 4.565 0.776 -4.273 11 HD3 ARG 2 3HD ARG 2 5.181 0.082 -5.773 12 HE ARG 2 HE ARG 2 5.201 2.860 -6.036 13 HH11 ARG 2 1HH1 ARG 2 6.765 0.379 -4.160 14 HH12 ARG 2 2HH1 ARG 2 8.232 1.278 -3.953 15 HH21 ARG 2 1HH2 ARG 2 7.126 4.054 -5.769 16 HH22 ARG 2 2HH2 ARG 2 8.436 3.369 -4.868 17 H GLY 3 H GLY 3 1.249 -0.512 -4.305 18 HA2 GLY 3 2HA GLY 3 -0.955 -0.584 -6.265 19 HA3 GLY 3 3HA GLY 3 0.160 -1.909 -5.961 20 H ARG 4 H ARG 4 0.001 -1.534 -3.039 21 HA ARG 4 HA ARG 4 -2.200 -3.277 -2.562 22 HB2 ARG 4 2HB ARG 4 -0.472 -1.792 -0.574 23 HB3 ARG 4 3HB ARG 4 -1.530 -3.149 -0.210 24 HG2 ARG 4 2HG ARG 4 -0.044 -4.307 -2.082 25 HG3 ARG 4 3HG ARG 4 1.121 -3.105 -1.523 26 HD2 ARG 4 2HD ARG 4 0.096 -4.106 0.822 27 HD3 ARG 4 3HD ARG 4 0.150 -5.527 -0.220 28 HE ARG 4 HE ARG 4 2.589 -4.127 -0.393 29 HH11 ARG 4 1HH1 ARG 4 0.757 -6.121 1.795 30 HH12 ARG 4 2HH1 ARG 4 2.156 -6.740 2.609 31 HH21 ARG 4 1HH2 ARG 4 4.439 -4.934 0.671 32 HH22 ARG 4 2HH2 ARG 4 4.249 -6.063 1.969 33 H GLU 5 H GLU 5 -1.623 0.158 -2.084 34 HA GLU 5 HA GLU 5 -4.184 0.514 -0.754 35 HB2 GLU 5 2HB GLU 5 -2.013 1.772 -0.186 36 HB3 GLU 5 3HB GLU 5 -2.332 2.717 -1.634 37 HG2 GLU 5 2HG GLU 5 -4.245 3.679 -0.740 38 HG3 GLU 5 3HG GLU 5 -4.417 2.427 0.489 39 H PHE 6 H PHE 6 -3.136 0.249 -3.887 40 HA PHE 6 HA PHE 6 -5.030 2.181 -4.985 41 HB2 PHE 6 2HB PHE 6 -2.594 0.931 -5.911 42 HB3 PHE 6 3HB PHE 6 -3.887 0.708 -7.084 43 HD1 PHE 6 HD1 PHE 6 -2.041 3.264 -5.146 44 HD2 PHE 6 HD2 PHE 6 -4.570 2.463 -8.475 45 HE1 PHE 6 HE1 PHE 6 -1.687 5.558 -5.963 46 HE2 PHE 6 HE2 PHE 6 -4.219 4.755 -9.298 47 HZ PHE 6 HZ PHE 6 -2.776 6.306 -8.042 48 H MET 7 H MET 7 -4.449 -1.300 -4.857 49 HA MET 7 HA MET 7 -6.469 -2.150 -6.576 50 HB2 MET 7 2HB MET 7 -6.409 -4.276 -5.258 51 HB3 MET 7 3HB MET 7 -4.831 -3.716 -5.795 52 HG2 MET 7 2HG MET 7 -4.522 -2.707 -3.524 53 HG3 MET 7 3HG MET 7 -5.999 -3.532 -3.034 54 HE1 MET 7 3HE MET 7 -5.092 -6.474 -5.054 55 HE2 MET 7 1HE MET 7 -5.154 -7.238 -3.466 56 HE3 MET 7 2HE MET 7 -6.327 -5.991 -3.891 57 H SER 8 H SER 8 -6.586 -1.550 -3.076 58 HA SER 8 HA SER 8 -9.314 -2.257 -2.775 59 HB2 SER 8 2HB SER 8 -7.712 -2.199 -0.889 60 HB3 SER 8 3HB SER 8 -7.625 -0.443 -1.034 61 HG SER 8 HG SER 8 -9.614 -0.256 -0.237 62 H ASN 9 H ASN 9 -7.690 0.906 -2.986 63 HA ASN 9 HA ASN 9 -9.967 2.505 -2.841 64 HB2 ASN 9 2HB ASN 9 -7.699 3.409 -2.653 65 HB3 ASN 9 3HB ASN 9 -7.392 3.024 -4.344 66 HD21 ASN 9 1HD2 ASN 9 -7.359 4.802 -5.498 67 HD22 ASN 9 2HD2 ASN 9 -8.447 6.136 -5.350 68 H LEU 10 H LEU 10 -8.493 0.865 -5.582 69 HA LEU 10 HA LEU 10 -9.758 2.055 -7.710 70 HB2 LEU 10 2HB LEU 10 -8.056 0.208 -7.766 71 HB3 LEU 10 3HB LEU 10 -9.370 -0.917 -7.429 72 HG LEU 10 HG LEU 10 -10.400 0.208 -9.596 73 HD11 LEU 10 1HD1 LEU 10 -7.427 0.535 -9.972 74 HD12 LEU 10 2HD1 LEU 10 -8.623 1.828 -9.904 75 HD13 LEU 10 3HD1 LEU 10 -8.643 0.679 -11.241 76 HD21 LEU 10 3HD2 LEU 10 -8.844 -2.141 -9.028 77 HD22 LEU 10 1HD2 LEU 10 -8.559 -1.599 -10.682 78 HD23 LEU 10 2HD2 LEU 10 -10.202 -1.937 -10.137 79 H LYS 11 H LYS 11 -10.942 -0.915 -6.122 80 HA LYS 11 HA LYS 11 -13.444 -0.959 -7.342 81 HB2 LYS 11 2HB LYS 11 -12.153 -2.639 -5.699 82 HB3 LYS 11 3HB LYS 11 -13.259 -1.919 -4.536 83 HG2 LYS 11 2HG LYS 11 -15.148 -2.707 -5.673 84 HG3 LYS 11 3HG LYS 11 -14.226 -3.059 -7.136 85 HD2 LYS 11 2HD LYS 11 -13.534 -5.061 -6.368 86 HD3 LYS 11 3HD LYS 11 -13.307 -4.464 -4.723 87 HE2 LYS 11 2HE LYS 11 -15.819 -4.471 -4.501 88 HE3 LYS 11 3HE LYS 11 -15.873 -5.334 -6.038 89 HZ1 LYS 11 3HZ LYS 11 -15.386 -7.225 -5.019 90 HZ2 LYS 11 1HZ LYS 11 -15.564 -6.433 -3.535 91 HZ3 LYS 11 2HZ LYS 11 -14.037 -6.555 -4.250 92 H GLU 12 H GLU 12 -12.323 0.780 -4.512 93 HA GLU 12 HA GLU 12 -14.849 1.547 -3.511 94 HB2 GLU 12 2HB GLU 12 -12.112 2.788 -3.233 95 HB3 GLU 12 3HB GLU 12 -13.532 3.399 -2.394 96 HG2 GLU 12 2HG GLU 12 -13.799 1.254 -1.267 97 HG3 GLU 12 3HG GLU 12 -12.386 0.629 -2.116 98 H LYS 13 H LYS 13 -12.820 2.801 -6.051 99 HA LYS 13 HA LYS 13 -14.417 5.218 -6.328 100 HB2 LYS 13 2HB LYS 13 -11.781 4.723 -6.786 101 HB3 LYS 13 3HB LYS 13 -12.433 4.562 -8.411 102 HG2 LYS 13 2HG LYS 13 -12.509 6.759 -8.631 103 HG3 LYS 13 3HG LYS 13 -13.539 6.895 -7.204 104 HD2 LYS 13 2HD LYS 13 -11.602 6.980 -5.764 105 HD3 LYS 13 3HD LYS 13 -10.529 6.695 -7.136 106 HE2 LYS 13 2HE LYS 13 -10.532 8.853 -7.700 107 HE3 LYS 13 3HE LYS 13 -12.288 8.956 -7.581 108 HZ1 LYS 13 3HZ LYS 13 -11.650 10.372 -5.925 109 HZ2 LYS 13 1HZ LYS 13 -10.253 9.499 -5.540 110 HZ3 LYS 13 2HZ LYS 13 -11.767 8.935 -5.040 111 H LEU 14 H LEU 14 -13.800 2.195 -8.040 112 HA LEU 14 HA LEU 14 -15.146 2.685 -10.410 113 HB2 LEU 14 2HB LEU 14 -14.971 0.126 -8.828 114 HB3 LEU 14 3HB LEU 14 -15.525 0.235 -10.498 115 HG LEU 14 HG LEU 14 -12.796 1.215 -9.757 116 HD11 LEU 14 1HD1 LEU 14 -12.408 -1.329 -10.732 117 HD12 LEU 14 2HD1 LEU 14 -13.742 -1.529 -9.597 118 HD13 LEU 14 3HD1 LEU 14 -12.221 -0.820 -9.054 119 HD21 LEU 14 3HD2 LEU 14 -13.284 1.771 -11.947 120 HD22 LEU 14 1HD2 LEU 14 -14.219 0.302 -12.223 121 HD23 LEU 14 2HD2 LEU 14 -12.459 0.223 -12.133 122 H SER 15 H SER 15 -16.409 1.993 -7.232 123 HA SER 15 HA SER 15 -19.046 1.316 -7.995 124 HB2 SER 15 2HB SER 15 -19.504 1.238 -5.748 125 HB3 SER 15 3HB SER 15 -17.744 1.178 -5.665 126 HG SER 15 HG SER 15 -19.455 3.106 -4.799 127 H GLY 16 H GLY 16 -17.365 4.318 -7.788 128 HA2 GLY 16 2HA GLY 16 -19.904 5.805 -7.979 129 HA3 GLY 16 3HA GLY 16 -18.363 6.495 -7.490 130 H VAL 17 H VAL 17 -16.865 5.193 -9.625 131 HA VAL 17 HA VAL 17 -16.931 7.185 -11.559 132 HB VAL 17 HB VAL 17 -15.141 5.352 -11.088 133 HG11 VAL 17 1HG1 VAL 17 -16.462 4.025 -13.431 134 HG12 VAL 17 2HG1 VAL 17 -15.181 3.409 -12.385 135 HG13 VAL 17 3HG1 VAL 17 -16.831 3.548 -11.774 136 HG21 VAL 17 3HG2 VAL 17 -14.257 6.746 -12.599 137 HG22 VAL 17 1HG2 VAL 17 -14.727 5.537 -13.794 138 HG23 VAL 17 2HG2 VAL 17 -15.782 6.913 -13.470 139 H LYS 18 H LYS 18 -18.765 4.226 -11.320 140 HA LYS 18 HA LYS 18 -19.668 4.103 -13.998 141 HB2 LYS 18 2HB LYS 18 -19.848 2.152 -12.617 142 HB3 LYS 18 3HB LYS 18 -20.818 3.012 -11.429 143 HG2 LYS 18 2HG LYS 18 -22.647 3.188 -13.012 144 HG3 LYS 18 3HG LYS 18 -21.672 2.393 -14.250 145 HD2 LYS 18 2HD LYS 18 -22.893 0.614 -13.466 146 HD3 LYS 18 3HD LYS 18 -21.471 0.511 -12.426 147 HE2 LYS 18 2HE LYS 18 -23.736 2.194 -11.506 148 HE3 LYS 18 3HE LYS 18 -23.948 0.444 -11.463 149 HZ1 LYS 18 3HZ LYS 18 -21.451 0.933 -10.399 150 HZ2 LYS 18 1HZ LYS 18 -22.842 0.463 -9.559 151 HZ3 LYS 18 2HZ LYS 18 -22.461 2.103 -9.713 152 H GLU 19 H GLU 19 -20.460 6.171 -11.403 153 HA GLU 19 HA GLU 19 -23.141 6.769 -11.943 154 HB2 GLU 19 2HB GLU 19 -22.113 7.524 -9.900 155 HB3 GLU 19 3HB GLU 19 -20.937 8.480 -10.789 156 HG2 GLU 19 2HG GLU 19 -22.768 9.902 -11.625 157 HG3 GLU 19 3HG GLU 19 -23.901 8.975 -10.642 158 H LYS 20 H LYS 20 -20.163 8.278 -13.157 159 HA LYS 20 HA LYS 20 -21.748 9.812 -15.087 160 HB2 LYS 20 2HB LYS 20 -18.778 10.032 -14.616 161 HB3 LYS 20 3HB LYS 20 -19.840 11.200 -15.392 162 HG2 LYS 20 2HG LYS 20 -20.872 10.817 -12.816 163 HG3 LYS 20 3HG LYS 20 -19.121 10.947 -12.631 164 HD2 LYS 20 2HD LYS 20 -19.166 13.030 -13.954 165 HD3 LYS 20 3HD LYS 20 -20.924 12.907 -14.052 166 HE2 LYS 20 2HE LYS 20 -21.085 13.070 -11.630 167 HE3 LYS 20 3HE LYS 20 -19.328 13.125 -11.500 168 HZ1 LYS 20 3HZ LYS 20 -21.148 15.238 -12.012 169 HZ2 LYS 20 1HZ LYS 20 -20.016 15.128 -13.264 170 HZ3 LYS 20 2HZ LYS 20 -19.494 15.315 -11.667 171 H MET 21 H MET 21 -19.353 7.274 -14.857 172 HA MET 21 HA MET 21 -18.555 7.173 -17.546 173 HB2 MET 21 2HB MET 21 -17.261 5.966 -15.969 174 HB3 MET 21 3HB MET 21 -18.663 5.085 -15.377 175 HG2 MET 21 2HG MET 21 -18.821 3.928 -17.540 176 HG3 MET 21 3HG MET 21 -17.373 4.776 -18.078 177 HE1 MET 21 3HE MET 21 -15.747 2.079 -18.326 178 HE2 MET 21 1HE MET 21 -15.549 3.832 -18.320 179 HE3 MET 21 2HE MET 21 -14.611 2.835 -17.207 180 H LYS 22 H LYS 22 -20.617 4.713 -16.011 181 HA LYS 22 HA LYS 22 -21.678 3.648 -18.319 182 HB2 LYS 22 2HB LYS 22 -21.994 2.534 -16.218 183 HB3 LYS 22 3HB LYS 22 -22.900 3.894 -15.569 184 HG2 LYS 22 2HG LYS 22 -24.096 2.856 -17.994 185 HG3 LYS 22 3HG LYS 22 -23.944 1.622 -16.741 186 HD2 LYS 22 2HD LYS 22 -24.974 3.328 -15.158 187 HD3 LYS 22 3HD LYS 22 -25.382 4.261 -16.600 188 HE2 LYS 22 2HE LYS 22 -26.351 1.904 -17.364 189 HE3 LYS 22 3HE LYS 22 -26.480 1.683 -15.620 190 HZ1 LYS 22 3HZ LYS 22 -28.507 2.612 -16.512 191 HZ2 LYS 22 1HZ LYS 22 -27.661 3.913 -17.185 192 HZ3 LYS 22 2HZ LYS 22 -27.756 3.745 -15.505 193 H ASN 23 H ASN 23 -22.542 6.591 -16.679 194 HA ASN 23 HA ASN 23 -25.066 6.966 -17.943 195 HB2 ASN 23 2HB ASN 23 -24.350 8.088 -15.819 196 HB3 ASN 23 3HB ASN 23 -23.251 9.083 -16.771 197 HD21 ASN 23 1HD2 ASN 23 -25.726 9.618 -15.122 198 HD22 ASN 23 2HD2 ASN 23 -26.720 10.581 -16.158 199 H SER 24 H SER 24 -21.855 8.404 -18.508 200 HA SER 24 HA SER 24 -22.790 9.336 -21.129 201 HB2 SER 24 2HB SER 24 -21.493 10.763 -19.277 202 HB3 SER 24 3HB SER 24 -20.093 10.077 -20.103 203 HG SER 24 HG SER 24 -20.489 11.291 -21.783 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.108 2.275 0.009 2 HA2 GLY 1 2HA GLY 1 2.437 -0.320 -1.242 3 HA3 GLY 1 3HA GLY 1 0.971 -0.142 -0.289 4 H ARG 2 H ARG 2 2.789 1.349 -2.948 5 HA ARG 2 HA ARG 2 0.798 3.057 -3.881 6 HB2 ARG 2 2HB ARG 2 2.000 3.059 -6.001 7 HB3 ARG 2 3HB ARG 2 3.131 3.126 -4.656 8 HG2 ARG 2 2HG ARG 2 2.550 0.410 -5.543 9 HG3 ARG 2 3HG ARG 2 3.282 1.423 -6.789 10 HD2 ARG 2 2HD ARG 2 4.360 0.939 -4.014 11 HD3 ARG 2 3HD ARG 2 4.993 0.259 -5.513 12 HE ARG 2 HE ARG 2 4.937 3.105 -5.587 13 HH11 ARG 2 1HH1 ARG 2 6.716 0.379 -4.352 14 HH12 ARG 2 2HH1 ARG 2 8.223 1.231 -4.279 15 HH21 ARG 2 1HH2 ARG 2 6.915 4.236 -5.495 16 HH22 ARG 2 2HH2 ARG 2 8.335 3.425 -4.929 17 H GLY 3 H GLY 3 1.057 -0.375 -4.079 18 HA2 GLY 3 2HA GLY 3 -1.128 -0.457 -6.059 19 HA3 GLY 3 3HA GLY 3 -0.008 -1.774 -5.748 20 H ARG 4 H ARG 4 -0.194 -1.423 -2.830 21 HA ARG 4 HA ARG 4 -2.396 -3.173 -2.382 22 HB2 ARG 4 2HB ARG 4 -0.681 -1.704 -0.371 23 HB3 ARG 4 3HB ARG 4 -1.742 -3.063 -0.025 24 HG2 ARG 4 2HG ARG 4 -0.246 -4.210 -1.894 25 HG3 ARG 4 3HG ARG 4 0.916 -3.010 -1.324 26 HD2 ARG 4 2HD ARG 4 0.481 -3.823 1.003 27 HD3 ARG 4 3HD ARG 4 -0.485 -5.122 0.305 28 HE ARG 4 HE ARG 4 2.382 -4.930 0.362 29 HH11 ARG 4 1HH1 ARG 4 -0.365 -6.316 -1.267 30 HH12 ARG 4 2HH1 ARG 4 0.527 -7.656 -1.909 31 HH21 ARG 4 1HH2 ARG 4 3.567 -6.689 -0.477 32 HH22 ARG 4 2HH2 ARG 4 2.763 -7.867 -1.458 33 H GLU 5 H GLU 5 -1.820 0.257 -1.852 34 HA GLU 5 HA GLU 5 -4.395 0.597 -0.547 35 HB2 GLU 5 2HB GLU 5 -2.225 1.846 0.055 36 HB3 GLU 5 3HB GLU 5 -2.538 2.814 -1.379 37 HG2 GLU 5 2HG GLU 5 -4.422 3.791 -0.476 38 HG3 GLU 5 3HG GLU 5 -4.664 2.490 0.689 39 H PHE 6 H PHE 6 -3.316 0.372 -3.672 40 HA PHE 6 HA PHE 6 -5.197 2.320 -4.763 41 HB2 PHE 6 2HB PHE 6 -3.025 2.282 -5.816 42 HB3 PHE 6 3HB PHE 6 -3.137 0.546 -6.084 43 HD1 PHE 6 HD1 PHE 6 -4.597 3.805 -7.047 44 HD2 PHE 6 HD2 PHE 6 -4.158 -0.318 -8.009 45 HE1 PHE 6 HE1 PHE 6 -5.600 4.217 -9.256 46 HE2 PHE 6 HE2 PHE 6 -5.159 0.087 -10.219 47 HZ PHE 6 HZ PHE 6 -5.881 2.357 -10.846 48 H MET 7 H MET 7 -4.616 -1.162 -4.680 49 HA MET 7 HA MET 7 -6.620 -1.987 -6.430 50 HB2 MET 7 2HB MET 7 -6.568 -4.134 -5.147 51 HB3 MET 7 3HB MET 7 -4.986 -3.563 -5.660 52 HG2 MET 7 2HG MET 7 -4.698 -2.592 -3.370 53 HG3 MET 7 3HG MET 7 -6.180 -3.425 -2.907 54 HE1 MET 7 3HE MET 7 -5.368 -6.737 -2.025 55 HE2 MET 7 1HE MET 7 -6.568 -5.541 -2.516 56 HE3 MET 7 2HE MET 7 -5.935 -6.690 -3.695 57 H SER 8 H SER 8 -6.766 -1.440 -2.923 58 HA SER 8 HA SER 8 -9.496 -2.155 -2.656 59 HB2 SER 8 2HB SER 8 -7.910 -2.127 -0.756 60 HB3 SER 8 3HB SER 8 -7.824 -0.369 -0.871 61 HG SER 8 HG SER 8 -9.778 -0.197 -0.029 62 H ASN 9 H ASN 9 -7.872 1.010 -2.806 63 HA ASN 9 HA ASN 9 -10.152 2.607 -2.653 64 HB2 ASN 9 2HB ASN 9 -7.885 3.508 -2.432 65 HB3 ASN 9 3HB ASN 9 -7.564 3.152 -4.126 66 HD21 ASN 9 1HD2 ASN 9 -7.533 4.943 -5.259 67 HD22 ASN 9 2HD2 ASN 9 -8.620 6.276 -5.093 68 H LEU 10 H LEU 10 -8.655 1.010 -5.407 69 HA LEU 10 HA LEU 10 -9.901 2.234 -7.527 70 HB2 LEU 10 2HB LEU 10 -8.199 0.388 -7.598 71 HB3 LEU 10 3HB LEU 10 -9.515 -0.743 -7.288 72 HG LEU 10 HG LEU 10 -10.549 0.350 -9.437 73 HD11 LEU 10 1HD1 LEU 10 -9.167 1.420 -10.885 74 HD12 LEU 10 2HD1 LEU 10 -7.724 0.595 -10.297 75 HD13 LEU 10 3HD1 LEU 10 -8.415 1.928 -9.373 76 HD21 LEU 10 3HD2 LEU 10 -9.181 -1.324 -10.802 77 HD22 LEU 10 1HD2 LEU 10 -10.104 -1.948 -9.435 78 HD23 LEU 10 2HD2 LEU 10 -8.364 -1.703 -9.285 79 H LYS 11 H LYS 11 -11.099 -0.761 -5.997 80 HA LYS 11 HA LYS 11 -13.590 -0.784 -7.238 81 HB2 LYS 11 2HB LYS 11 -12.596 -1.939 -4.647 82 HB3 LYS 11 3HB LYS 11 -14.271 -2.138 -5.143 83 HG2 LYS 11 2HG LYS 11 -13.452 -4.032 -6.048 84 HG3 LYS 11 3HG LYS 11 -13.069 -2.947 -7.387 85 HD2 LYS 11 2HD LYS 11 -10.885 -3.293 -7.124 86 HD3 LYS 11 3HD LYS 11 -10.976 -2.900 -5.406 87 HE2 LYS 11 2HE LYS 11 -10.351 -5.059 -5.173 88 HE3 LYS 11 3HE LYS 11 -12.078 -5.349 -5.372 89 HZ1 LYS 11 3HZ LYS 11 -10.524 -6.722 -6.789 90 HZ2 LYS 11 1HZ LYS 11 -10.217 -5.312 -7.672 91 HZ3 LYS 11 2HZ LYS 11 -11.784 -5.942 -7.604 92 H GLU 12 H GLU 12 -12.494 0.909 -4.371 93 HA GLU 12 HA GLU 12 -15.028 1.662 -3.381 94 HB2 GLU 12 2HB GLU 12 -12.293 2.896 -3.058 95 HB3 GLU 12 3HB GLU 12 -13.720 3.495 -2.223 96 HG2 GLU 12 2HG GLU 12 -13.999 1.333 -1.132 97 HG3 GLU 12 3HG GLU 12 -12.579 0.720 -1.978 98 H LYS 13 H LYS 13 -12.976 2.954 -5.882 99 HA LYS 13 HA LYS 13 -14.569 5.377 -6.135 100 HB2 LYS 13 2HB LYS 13 -11.930 4.887 -6.578 101 HB3 LYS 13 3HB LYS 13 -12.568 4.751 -8.211 102 HG2 LYS 13 2HG LYS 13 -12.716 6.952 -8.402 103 HG3 LYS 13 3HG LYS 13 -13.649 7.073 -6.909 104 HD2 LYS 13 2HD LYS 13 -11.765 7.408 -5.606 105 HD3 LYS 13 3HD LYS 13 -10.690 6.658 -6.789 106 HE2 LYS 13 2HE LYS 13 -10.220 8.654 -7.638 107 HE3 LYS 13 3HE LYS 13 -11.925 8.906 -8.011 108 HZ1 LYS 13 3HZ LYS 13 -10.508 9.629 -5.508 109 HZ2 LYS 13 1HZ LYS 13 -12.191 9.679 -5.674 110 HZ3 LYS 13 2HZ LYS 13 -11.217 10.679 -6.629 111 H LEU 14 H LEU 14 -13.940 2.380 -7.889 112 HA LEU 14 HA LEU 14 -15.264 2.909 -10.263 113 HB2 LEU 14 2HB LEU 14 -15.107 0.326 -8.718 114 HB3 LEU 14 3HB LEU 14 -15.646 0.461 -10.391 115 HG LEU 14 HG LEU 14 -12.922 1.424 -9.611 116 HD11 LEU 14 1HD1 LEU 14 -13.869 -1.310 -9.469 117 HD12 LEU 14 2HD1 LEU 14 -12.327 -0.619 -8.965 118 HD13 LEU 14 3HD1 LEU 14 -12.564 -1.119 -10.639 119 HD21 LEU 14 3HD2 LEU 14 -12.631 0.384 -12.020 120 HD22 LEU 14 1HD2 LEU 14 -13.280 2.008 -11.789 121 HD23 LEU 14 2HD2 LEU 14 -14.373 0.657 -12.091 122 H SER 15 H SER 15 -16.557 2.165 -7.107 123 HA SER 15 HA SER 15 -19.188 1.506 -7.904 124 HB2 SER 15 2HB SER 15 -18.743 0.866 -5.719 125 HB3 SER 15 3HB SER 15 -17.909 2.372 -5.338 126 HG SER 15 HG SER 15 -20.421 1.752 -4.841 127 H GLY 16 H GLY 16 -17.505 4.502 -7.634 128 HA2 GLY 16 2HA GLY 16 -20.040 5.995 -7.824 129 HA3 GLY 16 3HA GLY 16 -18.502 6.676 -7.312 130 H VAL 17 H VAL 17 -16.989 5.405 -9.454 131 HA VAL 17 HA VAL 17 -17.039 7.426 -11.358 132 HB VAL 17 HB VAL 17 -15.251 5.588 -10.897 133 HG11 VAL 17 1HG1 VAL 17 -16.931 3.793 -11.629 134 HG12 VAL 17 2HG1 VAL 17 -16.546 4.298 -13.276 135 HG13 VAL 17 3HG1 VAL 17 -15.276 3.667 -12.226 136 HG21 VAL 17 3HG2 VAL 17 -15.869 7.187 -13.258 137 HG22 VAL 17 1HG2 VAL 17 -14.352 7.005 -12.376 138 HG23 VAL 17 2HG2 VAL 17 -14.811 5.818 -13.597 139 H LYS 18 H LYS 18 -18.872 4.463 -11.178 140 HA LYS 18 HA LYS 18 -19.750 4.378 -13.866 141 HB2 LYS 18 2HB LYS 18 -19.926 2.412 -12.486 142 HB3 LYS 18 3HB LYS 18 -20.950 3.255 -11.332 143 HG2 LYS 18 2HG LYS 18 -22.711 3.430 -13.008 144 HG3 LYS 18 3HG LYS 18 -21.682 2.603 -14.180 145 HD2 LYS 18 2HD LYS 18 -23.093 0.926 -13.346 146 HD3 LYS 18 3HD LYS 18 -21.575 0.701 -12.474 147 HE2 LYS 18 2HE LYS 18 -22.516 2.003 -10.591 148 HE3 LYS 18 3HE LYS 18 -24.047 2.104 -11.460 149 HZ1 LYS 18 3HZ LYS 18 -23.867 -0.451 -11.502 150 HZ2 LYS 18 1HZ LYS 18 -24.358 0.308 -10.072 151 HZ3 LYS 18 2HZ LYS 18 -22.769 -0.248 -10.232 152 H GLU 19 H GLU 19 -20.539 6.435 -11.276 153 HA GLU 19 HA GLU 19 -23.229 7.027 -11.828 154 HB2 GLU 19 2HB GLU 19 -22.223 7.739 -9.755 155 HB3 GLU 19 3HB GLU 19 -21.044 8.722 -10.612 156 HG2 GLU 19 2HG GLU 19 -22.907 10.126 -11.455 157 HG3 GLU 19 3HG GLU 19 -24.010 9.194 -10.444 158 H LYS 20 H LYS 20 -20.238 8.592 -12.944 159 HA LYS 20 HA LYS 20 -21.790 10.159 -14.868 160 HB2 LYS 20 2HB LYS 20 -18.824 10.350 -14.368 161 HB3 LYS 20 3HB LYS 20 -19.873 11.544 -15.121 162 HG2 LYS 20 2HG LYS 20 -20.935 11.115 -12.570 163 HG3 LYS 20 3HG LYS 20 -19.185 11.202 -12.356 164 HD2 LYS 20 2HD LYS 20 -20.736 13.228 -13.954 165 HD3 LYS 20 3HD LYS 20 -20.447 13.397 -12.221 166 HE2 LYS 20 2HE LYS 20 -18.127 13.580 -12.515 167 HE3 LYS 20 3HE LYS 20 -18.198 12.938 -14.156 168 HZ1 LYS 20 3HZ LYS 20 -18.264 15.606 -13.357 169 HZ2 LYS 20 1HZ LYS 20 -19.785 15.251 -14.007 170 HZ3 LYS 20 2HZ LYS 20 -18.391 14.989 -14.927 171 H MET 21 H MET 21 -19.440 7.584 -14.670 172 HA MET 21 HA MET 21 -18.594 7.540 -17.345 173 HB2 MET 21 2HB MET 21 -17.349 6.267 -15.782 174 HB3 MET 21 3HB MET 21 -18.778 5.400 -15.234 175 HG2 MET 21 2HG MET 21 -18.924 4.296 -17.423 176 HG3 MET 21 3HG MET 21 -17.456 5.132 -17.924 177 HE1 MET 21 3HE MET 21 -17.716 1.130 -16.428 178 HE2 MET 21 1HE MET 21 -18.651 2.080 -15.272 179 HE3 MET 21 2HE MET 21 -18.968 2.233 -17.000 180 H LYS 22 H LYS 22 -20.732 5.084 -15.913 181 HA LYS 22 HA LYS 22 -21.767 4.097 -18.267 182 HB2 LYS 22 2HB LYS 22 -22.433 3.948 -15.451 183 HB3 LYS 22 3HB LYS 22 -23.884 3.939 -16.445 184 HG2 LYS 22 2HG LYS 22 -22.501 2.142 -17.807 185 HG3 LYS 22 3HG LYS 22 -21.704 1.939 -16.245 186 HD2 LYS 22 2HD LYS 22 -24.146 1.839 -15.330 187 HD3 LYS 22 3HD LYS 22 -24.554 1.446 -17.002 188 HE2 LYS 22 2HE LYS 22 -23.131 -0.476 -16.967 189 HE3 LYS 22 3HE LYS 22 -22.470 -0.023 -15.396 190 HZ1 LYS 22 3HZ LYS 22 -24.058 -1.231 -14.468 191 HZ2 LYS 22 1HZ LYS 22 -24.768 -1.554 -15.970 192 HZ3 LYS 22 2HZ LYS 22 -25.224 -0.179 -15.097 193 H ASN 23 H ASN 23 -22.611 7.011 -16.564 194 HA ASN 23 HA ASN 23 -25.101 7.468 -17.868 195 HB2 ASN 23 2HB ASN 23 -24.410 8.519 -15.701 196 HB3 ASN 23 3HB ASN 23 -23.271 9.516 -16.602 197 HD21 ASN 23 1HD2 ASN 23 -25.829 9.991 -15.007 198 HD22 ASN 23 2HD2 ASN 23 -26.758 11.027 -16.031 199 H SER 24 H SER 24 -21.853 8.856 -18.331 200 HA SER 24 HA SER 24 -22.712 9.990 -20.883 201 HB2 SER 24 2HB SER 24 -21.251 11.169 -19.030 202 HB3 SER 24 3HB SER 24 -19.932 10.302 -19.817 203 HG SER 24 HG SER 24 -20.340 11.383 -21.694 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.541 0.582 -0.012 2 HA2 GLY 1 2HA GLY 1 3.067 0.573 -1.111 3 HA3 GLY 1 3HA GLY 1 2.336 -0.937 -1.634 4 H ARG 2 H ARG 2 3.154 1.132 -3.374 5 HA ARG 2 HA ARG 2 1.147 2.891 -4.168 6 HB2 ARG 2 2HB ARG 2 2.292 2.994 -6.316 7 HB3 ARG 2 3HB ARG 2 3.458 2.992 -5.000 8 HG2 ARG 2 2HG ARG 2 2.844 0.325 -6.004 9 HG3 ARG 2 3HG ARG 2 3.546 1.396 -7.219 10 HD2 ARG 2 2HD ARG 2 4.696 0.773 -4.501 11 HD3 ARG 2 3HD ARG 2 5.287 0.167 -6.047 12 HE ARG 2 HE ARG 2 5.303 2.942 -6.187 13 HH11 ARG 2 1HH1 ARG 2 6.864 0.418 -4.367 14 HH12 ARG 2 2HH1 ARG 2 8.319 1.323 -4.111 15 HH21 ARG 2 1HH2 ARG 2 7.213 4.144 -5.856 16 HH22 ARG 2 2HH2 ARG 2 8.516 3.443 -4.957 17 H GLY 3 H GLY 3 1.386 -0.528 -4.541 18 HA2 GLY 3 2HA GLY 3 -0.854 -0.505 -6.461 19 HA3 GLY 3 3HA GLY 3 0.272 -1.838 -6.252 20 H ARG 4 H ARG 4 0.164 -1.617 -3.308 21 HA ARG 4 HA ARG 4 -2.015 -3.401 -2.886 22 HB2 ARG 4 2HB ARG 4 -0.264 -2.008 -0.852 23 HB3 ARG 4 3HB ARG 4 -1.306 -3.390 -0.543 24 HG2 ARG 4 2HG ARG 4 0.156 -4.438 -2.497 25 HG3 ARG 4 3HG ARG 4 1.321 -3.256 -1.897 26 HD2 ARG 4 2HD ARG 4 -0.113 -5.014 0.041 27 HD3 ARG 4 3HD ARG 4 1.228 -5.676 -0.893 28 HE ARG 4 HE ARG 4 2.041 -3.249 0.248 29 HH11 ARG 4 1HH1 ARG 4 1.181 -6.486 1.198 30 HH12 ARG 4 2HH1 ARG 4 2.185 -6.479 2.610 31 HH21 ARG 4 1HH2 ARG 4 3.367 -3.227 2.103 32 HH22 ARG 4 2HH2 ARG 4 3.428 -4.624 3.124 33 H GLU 5 H GLU 5 -1.455 0.009 -2.235 34 HA GLU 5 HA GLU 5 -3.995 0.273 -0.847 35 HB2 GLU 5 2HB GLU 5 -1.823 1.517 -0.251 36 HB3 GLU 5 3HB GLU 5 -2.178 2.536 -1.639 37 HG2 GLU 5 2HG GLU 5 -4.082 3.429 -0.659 38 HG3 GLU 5 3HG GLU 5 -4.218 2.112 0.505 39 H PHE 6 H PHE 6 -2.999 0.183 -4.006 40 HA PHE 6 HA PHE 6 -4.925 2.154 -4.968 41 HB2 PHE 6 2HB PHE 6 -2.493 0.983 -5.997 42 HB3 PHE 6 3HB PHE 6 -3.802 0.799 -7.159 43 HD1 PHE 6 HD1 PHE 6 -2.002 3.299 -5.101 44 HD2 PHE 6 HD2 PHE 6 -4.489 2.594 -8.482 45 HE1 PHE 6 HE1 PHE 6 -1.692 5.634 -5.811 46 HE2 PHE 6 HE2 PHE 6 -4.182 4.928 -9.198 47 HZ PHE 6 HZ PHE 6 -2.782 6.451 -7.863 48 H MET 7 H MET 7 -4.316 -1.323 -5.035 49 HA MET 7 HA MET 7 -6.360 -2.097 -6.763 50 HB2 MET 7 2HB MET 7 -6.257 -4.291 -5.567 51 HB3 MET 7 3HB MET 7 -4.693 -3.687 -6.099 52 HG2 MET 7 2HG MET 7 -4.352 -2.803 -3.781 53 HG3 MET 7 3HG MET 7 -5.815 -3.667 -3.312 54 HE1 MET 7 3HE MET 7 -5.628 -5.403 -2.024 55 HE2 MET 7 1HE MET 7 -5.800 -6.649 -3.260 56 HE3 MET 7 2HE MET 7 -4.506 -6.763 -2.068 57 H SER 8 H SER 8 -6.415 -1.687 -3.235 58 HA SER 8 HA SER 8 -9.131 -2.436 -2.923 59 HB2 SER 8 2HB SER 8 -7.495 -2.466 -1.066 60 HB3 SER 8 3HB SER 8 -7.425 -0.704 -1.116 61 HG SER 8 HG SER 8 -8.935 -1.045 0.376 62 H ASN 9 H ASN 9 -7.536 0.747 -2.997 63 HA ASN 9 HA ASN 9 -9.824 2.316 -2.721 64 HB2 ASN 9 2HB ASN 9 -7.560 3.229 -2.525 65 HB3 ASN 9 3HB ASN 9 -7.281 2.939 -4.240 66 HD21 ASN 9 1HD2 ASN 9 -7.289 4.774 -5.301 67 HD22 ASN 9 2HD2 ASN 9 -8.383 6.090 -5.059 68 H LEU 10 H LEU 10 -8.386 0.844 -5.575 69 HA LEU 10 HA LEU 10 -9.700 2.135 -7.611 70 HB2 LEU 10 2HB LEU 10 -7.985 0.309 -7.800 71 HB3 LEU 10 3HB LEU 10 -9.283 -0.845 -7.499 72 HG LEU 10 HG LEU 10 -10.333 0.469 -9.591 73 HD11 LEU 10 1HD1 LEU 10 -8.161 1.841 -9.642 74 HD12 LEU 10 2HD1 LEU 10 -8.763 1.171 -11.157 75 HD13 LEU 10 3HD1 LEU 10 -7.427 0.386 -10.316 76 HD21 LEU 10 3HD2 LEU 10 -8.289 -1.674 -10.062 77 HD22 LEU 10 1HD2 LEU 10 -9.843 -1.425 -10.859 78 HD23 LEU 10 2HD2 LEU 10 -9.789 -2.008 -9.195 79 H LYS 11 H LYS 11 -10.832 -0.928 -6.171 80 HA LYS 11 HA LYS 11 -13.354 -0.927 -7.345 81 HB2 LYS 11 2HB LYS 11 -12.071 -2.730 -5.913 82 HB3 LYS 11 3HB LYS 11 -12.994 -2.032 -4.589 83 HG2 LYS 11 2HG LYS 11 -15.062 -2.441 -5.971 84 HG3 LYS 11 3HG LYS 11 -14.041 -3.383 -7.060 85 HD2 LYS 11 2HD LYS 11 -13.366 -4.425 -4.634 86 HD3 LYS 11 3HD LYS 11 -15.072 -4.040 -4.392 87 HE2 LYS 11 2HE LYS 11 -13.979 -5.647 -6.699 88 HE3 LYS 11 3HE LYS 11 -14.683 -6.340 -5.239 89 HZ1 LYS 11 3HZ LYS 11 -15.984 -5.257 -7.538 90 HZ2 LYS 11 1HZ LYS 11 -16.548 -4.546 -6.111 91 HZ3 LYS 11 2HZ LYS 11 -16.614 -6.225 -6.302 92 H GLU 12 H GLU 12 -12.199 0.663 -4.442 93 HA GLU 12 HA GLU 12 -14.714 1.357 -3.363 94 HB2 GLU 12 2HB GLU 12 -11.980 2.598 -3.056 95 HB3 GLU 12 3HB GLU 12 -13.390 3.152 -2.164 96 HG2 GLU 12 2HG GLU 12 -13.629 0.946 -1.155 97 HG3 GLU 12 3HG GLU 12 -12.224 0.380 -2.056 98 H LYS 13 H LYS 13 -12.731 2.761 -5.860 99 HA LYS 13 HA LYS 13 -14.340 5.182 -5.977 100 HB2 LYS 13 2HB LYS 13 -11.714 4.732 -6.504 101 HB3 LYS 13 3HB LYS 13 -12.389 4.635 -8.126 102 HG2 LYS 13 2HG LYS 13 -11.804 6.866 -7.913 103 HG3 LYS 13 3HG LYS 13 -13.534 6.864 -7.561 104 HD2 LYS 13 2HD LYS 13 -12.905 6.704 -5.117 105 HD3 LYS 13 3HD LYS 13 -11.244 7.037 -5.613 106 HE2 LYS 13 2HE LYS 13 -11.957 9.148 -6.606 107 HE3 LYS 13 3HE LYS 13 -13.626 8.810 -6.152 108 HZ1 LYS 13 3HZ LYS 13 -11.335 9.381 -4.365 109 HZ2 LYS 13 1HZ LYS 13 -12.782 8.714 -3.796 110 HZ3 LYS 13 2HZ LYS 13 -12.782 10.244 -4.516 111 H LEU 14 H LEU 14 -13.752 2.258 -7.862 112 HA LEU 14 HA LEU 14 -15.125 2.858 -10.182 113 HB2 LEU 14 2HB LEU 14 -14.953 0.238 -8.704 114 HB3 LEU 14 3HB LEU 14 -15.554 0.412 -10.351 115 HG LEU 14 HG LEU 14 -12.786 1.307 -9.630 116 HD11 LEU 14 1HD1 LEU 14 -12.675 -1.239 -10.845 117 HD12 LEU 14 2HD1 LEU 14 -13.750 -1.368 -9.453 118 HD13 LEU 14 3HD1 LEU 14 -12.106 -0.764 -9.244 119 HD21 LEU 14 3HD2 LEU 14 -14.300 0.630 -12.115 120 HD22 LEU 14 1HD2 LEU 14 -12.543 0.473 -12.084 121 HD23 LEU 14 2HD2 LEU 14 -13.294 2.035 -11.759 122 H SER 15 H SER 15 -16.373 1.945 -7.037 123 HA SER 15 HA SER 15 -19.016 1.358 -7.781 124 HB2 SER 15 2HB SER 15 -19.514 1.361 -5.505 125 HB3 SER 15 3HB SER 15 -17.779 1.044 -5.499 126 HG SER 15 HG SER 15 -17.606 2.772 -4.335 127 H GLY 16 H GLY 16 -17.334 4.367 -7.397 128 HA2 GLY 16 2HA GLY 16 -19.861 5.863 -7.554 129 HA3 GLY 16 3HA GLY 16 -18.305 6.533 -7.088 130 H VAL 17 H VAL 17 -16.800 5.390 -9.240 131 HA VAL 17 HA VAL 17 -16.959 7.392 -11.141 132 HB VAL 17 HB VAL 17 -15.131 5.559 -10.719 133 HG11 VAL 17 1HG1 VAL 17 -15.138 3.689 -12.106 134 HG12 VAL 17 2HG1 VAL 17 -16.809 3.785 -11.546 135 HG13 VAL 17 3HG1 VAL 17 -16.384 4.355 -13.160 136 HG21 VAL 17 3HG2 VAL 17 -15.784 7.226 -13.034 137 HG22 VAL 17 1HG2 VAL 17 -14.278 7.080 -12.127 138 HG23 VAL 17 2HG2 VAL 17 -14.666 5.909 -13.388 139 H LYS 18 H LYS 18 -18.795 4.463 -10.874 140 HA LYS 18 HA LYS 18 -19.688 4.278 -13.553 141 HB2 LYS 18 2HB LYS 18 -19.905 2.363 -12.137 142 HB3 LYS 18 3HB LYS 18 -20.844 3.266 -10.956 143 HG2 LYS 18 2HG LYS 18 -22.701 3.421 -12.481 144 HG3 LYS 18 3HG LYS 18 -21.757 2.653 -13.759 145 HD2 LYS 18 2HD LYS 18 -21.594 0.615 -12.398 146 HD3 LYS 18 3HD LYS 18 -22.562 1.387 -11.139 147 HE2 LYS 18 2HE LYS 18 -23.802 1.502 -13.775 148 HE3 LYS 18 3HE LYS 18 -23.524 -0.146 -13.215 149 HZ1 LYS 18 3HZ LYS 18 -24.802 1.866 -11.471 150 HZ2 LYS 18 1HZ LYS 18 -24.860 0.179 -11.358 151 HZ3 LYS 18 2HZ LYS 18 -25.708 0.973 -12.587 152 H GLU 19 H GLU 19 -20.770 6.117 -10.780 153 HA GLU 19 HA GLU 19 -23.332 6.820 -11.539 154 HB2 GLU 19 2HB GLU 19 -22.588 7.484 -9.391 155 HB3 GLU 19 3HB GLU 19 -21.210 8.352 -10.051 156 HG2 GLU 19 2HG GLU 19 -22.902 9.894 -9.270 157 HG3 GLU 19 3HG GLU 19 -22.711 10.014 -11.018 158 H LYS 20 H LYS 20 -20.253 8.204 -12.573 159 HA LYS 20 HA LYS 20 -21.656 10.031 -14.380 160 HB2 LYS 20 2HB LYS 20 -19.942 11.118 -13.135 161 HB3 LYS 20 3HB LYS 20 -18.785 9.839 -13.477 162 HG2 LYS 20 2HG LYS 20 -18.118 10.836 -15.341 163 HG3 LYS 20 3HG LYS 20 -19.778 11.019 -15.915 164 HD2 LYS 20 2HD LYS 20 -19.753 12.920 -14.025 165 HD3 LYS 20 3HD LYS 20 -18.043 12.926 -14.460 166 HE2 LYS 20 2HE LYS 20 -19.179 12.892 -16.912 167 HE3 LYS 20 3HE LYS 20 -20.401 13.783 -16.005 168 HZ1 LYS 20 3HZ LYS 20 -19.038 15.538 -15.720 169 HZ2 LYS 20 1HZ LYS 20 -18.290 14.935 -17.112 170 HZ3 LYS 20 2HZ LYS 20 -17.639 14.595 -15.589 171 H MET 21 H MET 21 -19.315 7.382 -14.399 172 HA MET 21 HA MET 21 -18.723 7.363 -17.127 173 HB2 MET 21 2HB MET 21 -17.363 6.026 -15.752 174 HB3 MET 21 3HB MET 21 -18.743 5.214 -15.024 175 HG2 MET 21 2HG MET 21 -19.191 4.099 -17.168 176 HG3 MET 21 3HG MET 21 -17.764 4.876 -17.849 177 HE1 MET 21 3HE MET 21 -19.083 1.727 -16.573 178 HE2 MET 21 1HE MET 21 -18.103 1.761 -18.040 179 HE3 MET 21 2HE MET 21 -17.576 0.813 -16.649 180 H LYS 22 H LYS 22 -20.857 4.997 -15.527 181 HA LYS 22 HA LYS 22 -22.060 3.989 -17.788 182 HB2 LYS 22 2HB LYS 22 -22.374 2.940 -15.639 183 HB3 LYS 22 3HB LYS 22 -23.212 4.357 -15.019 184 HG2 LYS 22 2HG LYS 22 -24.790 2.600 -15.524 185 HG3 LYS 22 3HG LYS 22 -25.033 3.967 -16.613 186 HD2 LYS 22 2HD LYS 22 -24.748 2.640 -18.372 187 HD3 LYS 22 3HD LYS 22 -23.144 2.187 -17.791 188 HE2 LYS 22 2HE LYS 22 -24.265 0.152 -17.945 189 HE3 LYS 22 3HE LYS 22 -24.393 0.565 -16.237 190 HZ1 LYS 22 3HZ LYS 22 -26.617 1.104 -16.449 191 HZ2 LYS 22 1HZ LYS 22 -26.477 -0.233 -17.476 192 HZ3 LYS 22 2HZ LYS 22 -26.526 1.328 -18.123 193 H ASN 23 H ASN 23 -22.711 6.981 -16.119 194 HA ASN 23 HA ASN 23 -25.222 7.520 -17.340 195 HB2 ASN 23 2HB ASN 23 -24.407 8.596 -15.235 196 HB3 ASN 23 3HB ASN 23 -23.249 9.508 -16.198 197 HD21 ASN 23 1HD2 ASN 23 -25.928 9.935 -14.598 198 HD22 ASN 23 2HD2 ASN 23 -26.758 11.078 -15.594 199 H SER 24 H SER 24 -21.962 8.835 -17.943 200 HA SER 24 HA SER 24 -22.855 9.976 -20.461 201 HB2 SER 24 2HB SER 24 -21.078 10.887 -18.658 202 HB3 SER 24 3HB SER 24 -19.977 10.023 -19.730 203 HG SER 24 HG SER 24 -21.159 12.399 -20.097 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.936 -0.652 0.980 2 HA2 GLY 1 2HA GLY 1 3.267 0.403 -0.802 3 HA3 GLY 1 3HA GLY 1 2.507 -1.064 -1.403 4 H ARG 2 H ARG 2 3.313 1.029 -3.072 5 HA ARG 2 HA ARG 2 1.349 2.899 -3.715 6 HB2 ARG 2 2HB ARG 2 2.425 3.055 -5.897 7 HB3 ARG 2 3HB ARG 2 3.633 2.953 -4.623 8 HG2 ARG 2 2HG ARG 2 2.853 0.374 -5.777 9 HG3 ARG 2 3HG ARG 2 3.652 1.481 -6.895 10 HD2 ARG 2 2HD ARG 2 4.870 1.236 -4.220 11 HD3 ARG 2 3HD ARG 2 4.966 -0.195 -5.245 12 HE ARG 2 HE ARG 2 5.800 1.756 -6.897 13 HH11 ARG 2 1HH1 ARG 2 6.700 0.883 -3.649 14 HH12 ARG 2 2HH1 ARG 2 8.332 1.441 -3.811 15 HH21 ARG 2 1HH2 ARG 2 7.946 2.495 -7.123 16 HH22 ARG 2 2HH2 ARG 2 9.040 2.359 -5.788 17 H GLY 3 H GLY 3 1.437 -0.506 -4.233 18 HA2 GLY 3 2HA GLY 3 -0.842 -0.321 -6.096 19 HA3 GLY 3 3HA GLY 3 0.219 -1.714 -5.939 20 H ARG 4 H ARG 4 0.134 -1.451 -2.957 21 HA ARG 4 HA ARG 4 -2.046 -3.220 -2.519 22 HB2 ARG 4 2HB ARG 4 -0.338 -1.756 -0.499 23 HB3 ARG 4 3HB ARG 4 -1.384 -3.128 -0.161 24 HG2 ARG 4 2HG ARG 4 0.112 -4.237 -2.055 25 HG3 ARG 4 3HG ARG 4 1.266 -3.036 -1.472 26 HD2 ARG 4 2HD ARG 4 0.124 -4.187 0.816 27 HD3 ARG 4 3HD ARG 4 0.461 -5.525 -0.281 28 HE ARG 4 HE ARG 4 2.661 -3.712 -0.041 29 HH11 ARG 4 1HH1 ARG 4 1.055 -6.423 1.438 30 HH12 ARG 4 2HH1 ARG 4 2.477 -6.989 2.250 31 HH21 ARG 4 1HH2 ARG 4 4.540 -4.447 1.023 32 HH22 ARG 4 2HH2 ARG 4 4.458 -5.864 2.014 33 H GLU 5 H GLU 5 -1.507 0.206 -1.891 34 HA GLU 5 HA GLU 5 -4.088 0.484 -0.591 35 HB2 GLU 5 2HB GLU 5 -1.921 1.749 0.022 36 HB3 GLU 5 3HB GLU 5 -2.279 2.754 -1.376 37 HG2 GLU 5 2HG GLU 5 -4.273 3.555 -0.422 38 HG3 GLU 5 3HG GLU 5 -4.265 2.313 0.829 39 H PHE 6 H PHE 6 -3.014 0.338 -3.720 40 HA PHE 6 HA PHE 6 -4.922 2.286 -4.766 41 HB2 PHE 6 2HB PHE 6 -2.494 1.875 -5.643 42 HB3 PHE 6 3HB PHE 6 -3.222 0.513 -6.487 43 HD1 PHE 6 HD2 PHE 6 -5.218 0.999 -8.006 44 HD2 PHE 6 HD1 PHE 6 -2.593 4.013 -6.541 45 HE1 PHE 6 HE2 PHE 6 -5.948 2.506 -9.809 46 HE2 PHE 6 HE1 PHE 6 -3.319 5.525 -8.341 47 HZ PHE 6 HZ PHE 6 -4.997 4.772 -9.979 48 H MET 7 H MET 7 -4.281 -1.190 -4.784 49 HA MET 7 HA MET 7 -6.288 -1.994 -6.541 50 HB2 MET 7 2HB MET 7 -6.184 -4.180 -5.331 51 HB3 MET 7 3HB MET 7 -4.617 -3.563 -5.838 52 HG2 MET 7 2HG MET 7 -4.324 -2.663 -3.521 53 HG3 MET 7 3HG MET 7 -5.788 -3.535 -3.072 54 HE1 MET 7 3HE MET 7 -5.435 -6.882 -3.313 55 HE2 MET 7 1HE MET 7 -4.751 -6.454 -1.744 56 HE3 MET 7 2HE MET 7 -6.055 -5.485 -2.431 57 H SER 8 H SER 8 -6.407 -1.559 -3.018 58 HA SER 8 HA SER 8 -9.121 -2.332 -2.747 59 HB2 SER 8 2HB SER 8 -7.515 -2.337 -0.863 60 HB3 SER 8 3HB SER 8 -7.462 -0.575 -0.921 61 HG SER 8 HG SER 8 -9.562 -2.269 -0.129 62 H ASN 9 H ASN 9 -7.552 0.863 -2.819 63 HA ASN 9 HA ASN 9 -9.857 2.414 -2.588 64 HB2 ASN 9 2HB ASN 9 -7.602 3.345 -2.362 65 HB3 ASN 9 3HB ASN 9 -7.297 3.052 -4.071 66 HD21 ASN 9 1HD2 ASN 9 -7.343 4.859 -5.174 67 HD22 ASN 9 2HD2 ASN 9 -8.438 6.175 -4.937 68 H LEU 10 H LEU 10 -8.362 0.934 -5.407 69 HA LEU 10 HA LEU 10 -9.651 2.203 -7.474 70 HB2 LEU 10 2HB LEU 10 -7.919 0.389 -7.622 71 HB3 LEU 10 3HB LEU 10 -9.212 -0.773 -7.334 72 HG LEU 10 HG LEU 10 -10.246 0.504 -9.450 73 HD11 LEU 10 1HD1 LEU 10 -7.398 1.190 -9.405 74 HD12 LEU 10 2HD1 LEU 10 -8.737 1.946 -10.267 75 HD13 LEU 10 3HD1 LEU 10 -7.966 0.504 -10.928 76 HD21 LEU 10 3HD2 LEU 10 -8.946 -1.313 -10.809 77 HD22 LEU 10 1HD2 LEU 10 -10.135 -1.787 -9.595 78 HD23 LEU 10 2HD2 LEU 10 -8.415 -1.839 -9.211 79 H LYS 11 H LYS 11 -10.783 -0.859 -6.029 80 HA LYS 11 HA LYS 11 -13.286 -0.886 -7.246 81 HB2 LYS 11 2HB LYS 11 -12.145 -2.153 -4.791 82 HB3 LYS 11 3HB LYS 11 -13.880 -2.254 -5.064 83 HG2 LYS 11 2HG LYS 11 -12.894 -2.990 -7.495 84 HG3 LYS 11 3HG LYS 11 -11.680 -3.645 -6.393 85 HD2 LYS 11 2HD LYS 11 -13.242 -5.369 -6.591 86 HD3 LYS 11 3HD LYS 11 -13.678 -4.580 -5.074 87 HE2 LYS 11 2HE LYS 11 -15.502 -3.449 -6.090 88 HE3 LYS 11 3HE LYS 11 -14.966 -3.900 -7.708 89 HZ1 LYS 11 3HZ LYS 11 -15.271 -6.289 -6.468 90 HZ2 LYS 11 1HZ LYS 11 -16.403 -5.572 -7.501 91 HZ3 LYS 11 2HZ LYS 11 -16.549 -5.384 -5.827 92 H GLU 12 H GLU 12 -12.190 0.733 -4.335 93 HA GLU 12 HA GLU 12 -14.727 1.412 -3.299 94 HB2 GLU 12 2HB GLU 12 -12.009 2.679 -2.961 95 HB3 GLU 12 3HB GLU 12 -13.437 3.229 -2.095 96 HG2 GLU 12 2HG GLU 12 -13.673 1.029 -1.072 97 HG3 GLU 12 3HG GLU 12 -12.251 0.466 -1.948 98 H LYS 13 H LYS 13 -12.719 2.816 -5.777 99 HA LYS 13 HA LYS 13 -14.350 5.221 -5.937 100 HB2 LYS 13 2HB LYS 13 -11.711 4.792 -6.418 101 HB3 LYS 13 3HB LYS 13 -12.359 4.682 -8.049 102 HG2 LYS 13 2HG LYS 13 -13.048 6.987 -6.267 103 HG3 LYS 13 3HG LYS 13 -11.549 6.962 -7.199 104 HD2 LYS 13 2HD LYS 13 -12.639 7.119 -9.212 105 HD3 LYS 13 3HD LYS 13 -14.107 6.354 -8.599 106 HE2 LYS 13 2HE LYS 13 -13.373 8.957 -7.405 107 HE3 LYS 13 3HE LYS 13 -13.900 8.986 -9.087 108 HZ1 LYS 13 3HZ LYS 13 -15.840 7.565 -8.220 109 HZ2 LYS 13 1HZ LYS 13 -15.858 9.230 -7.916 110 HZ3 LYS 13 2HZ LYS 13 -15.404 8.152 -6.694 111 H LEU 14 H LEU 14 -13.697 2.291 -7.793 112 HA LEU 14 HA LEU 14 -15.048 2.870 -10.136 113 HB2 LEU 14 2HB LEU 14 -14.851 0.249 -8.662 114 HB3 LEU 14 3HB LEU 14 -15.416 0.420 -10.322 115 HG LEU 14 HG LEU 14 -12.687 1.380 -9.547 116 HD11 LEU 14 1HD1 LEU 14 -12.022 -0.675 -9.040 117 HD12 LEU 14 2HD1 LEU 14 -12.397 -1.148 -10.697 118 HD13 LEU 14 3HD1 LEU 14 -13.607 -1.343 -9.429 119 HD21 LEU 14 3HD2 LEU 14 -14.111 0.588 -12.057 120 HD22 LEU 14 1HD2 LEU 14 -12.350 0.538 -11.972 121 HD23 LEU 14 2HD2 LEU 14 -13.203 2.058 -11.701 122 H SER 15 H SER 15 -16.312 1.990 -6.997 123 HA SER 15 HA SER 15 -18.938 1.334 -7.781 124 HB2 SER 15 2HB SER 15 -18.391 0.672 -5.605 125 HB3 SER 15 3HB SER 15 -17.695 2.241 -5.199 126 HG SER 15 HG SER 15 -20.450 1.853 -5.740 127 H GLY 16 H GLY 16 -17.301 4.359 -7.416 128 HA2 GLY 16 2HA GLY 16 -19.854 5.816 -7.579 129 HA3 GLY 16 3HA GLY 16 -18.319 6.509 -7.077 130 H VAL 17 H VAL 17 -16.778 5.362 -9.229 131 HA VAL 17 HA VAL 17 -16.895 7.388 -11.106 132 HB VAL 17 HB VAL 17 -15.082 5.555 -10.698 133 HG11 VAL 17 1HG1 VAL 17 -16.782 3.782 -11.500 134 HG12 VAL 17 2HG1 VAL 17 -16.333 4.318 -13.121 135 HG13 VAL 17 3HG1 VAL 17 -15.107 3.659 -12.037 136 HG21 VAL 17 3HG2 VAL 17 -15.736 7.204 -13.020 137 HG22 VAL 17 1HG2 VAL 17 -14.218 7.037 -12.137 138 HG23 VAL 17 2HG2 VAL 17 -14.646 5.866 -13.384 139 H LYS 18 H LYS 18 -18.755 4.464 -10.907 140 HA LYS 18 HA LYS 18 -19.637 4.365 -13.599 141 HB2 LYS 18 2HB LYS 18 -19.828 2.401 -12.231 142 HB3 LYS 18 3HB LYS 18 -20.813 3.254 -11.049 143 HG2 LYS 18 2HG LYS 18 -22.599 3.477 -12.711 144 HG3 LYS 18 3HG LYS 18 -21.612 2.593 -13.877 145 HD2 LYS 18 2HD LYS 18 -22.171 0.619 -12.991 146 HD3 LYS 18 3HD LYS 18 -21.861 1.185 -11.347 147 HE2 LYS 18 2HE LYS 18 -24.031 1.863 -11.029 148 HE3 LYS 18 3HE LYS 18 -24.314 2.130 -12.748 149 HZ1 LYS 18 3HZ LYS 18 -25.319 0.170 -12.769 150 HZ2 LYS 18 1HZ LYS 18 -24.834 -0.182 -11.186 151 HZ3 LYS 18 2HZ LYS 18 -23.822 -0.565 -12.486 152 H GLU 19 H GLU 19 -20.746 6.072 -10.750 153 HA GLU 19 HA GLU 19 -23.308 6.790 -11.491 154 HB2 GLU 19 2HB GLU 19 -22.568 7.358 -9.309 155 HB3 GLU 19 3HB GLU 19 -21.207 8.282 -9.930 156 HG2 GLU 19 2HG GLU 19 -22.567 10.061 -10.596 157 HG3 GLU 19 3HG GLU 19 -24.036 9.092 -10.492 158 H LYS 20 H LYS 20 -20.235 8.246 -12.442 159 HA LYS 20 HA LYS 20 -21.643 10.142 -14.172 160 HB2 LYS 20 2HB LYS 20 -19.935 11.167 -12.857 161 HB3 LYS 20 3HB LYS 20 -18.766 9.925 -13.288 162 HG2 LYS 20 2HG LYS 20 -18.115 11.065 -15.071 163 HG3 LYS 20 3HG LYS 20 -19.776 11.216 -15.650 164 HD2 LYS 20 2HD LYS 20 -19.807 13.011 -13.638 165 HD3 LYS 20 3HD LYS 20 -18.114 13.119 -14.125 166 HE2 LYS 20 2HE LYS 20 -19.033 13.321 -16.517 167 HE3 LYS 20 3HE LYS 20 -20.580 13.664 -15.745 168 HZ1 LYS 20 3HZ LYS 20 -19.747 15.758 -15.953 169 HZ2 LYS 20 1HZ LYS 20 -18.133 15.272 -15.801 170 HZ3 LYS 20 2HZ LYS 20 -19.119 15.374 -14.430 171 H MET 21 H MET 21 -19.287 7.509 -14.302 172 HA MET 21 HA MET 21 -18.684 7.618 -17.025 173 HB2 MET 21 2HB MET 21 -17.321 6.229 -15.706 174 HB3 MET 21 3HB MET 21 -18.699 5.376 -15.023 175 HG2 MET 21 2HG MET 21 -19.130 4.357 -17.217 176 HG3 MET 21 3HG MET 21 -17.706 5.174 -17.856 177 HE1 MET 21 3HE MET 21 -15.720 2.847 -18.270 178 HE2 MET 21 1HE MET 21 -16.804 1.514 -17.870 179 HE3 MET 21 2HE MET 21 -17.421 2.923 -18.733 180 H LYS 22 H LYS 22 -20.808 5.169 -15.544 181 HA LYS 22 HA LYS 22 -21.997 4.257 -17.853 182 HB2 LYS 22 2HB LYS 22 -22.434 3.987 -15.050 183 HB3 LYS 22 3HB LYS 22 -23.991 4.277 -15.815 184 HG2 LYS 22 2HG LYS 22 -23.087 2.431 -17.490 185 HG3 LYS 22 3HG LYS 22 -22.148 1.972 -16.067 186 HD2 LYS 22 2HD LYS 22 -24.123 1.650 -14.772 187 HD3 LYS 22 3HD LYS 22 -25.133 2.378 -16.024 188 HE2 LYS 22 2HE LYS 22 -23.564 0.134 -17.006 189 HE3 LYS 22 3HE LYS 22 -24.638 -0.317 -15.682 190 HZ1 LYS 22 3HZ LYS 22 -26.231 -0.421 -17.205 191 HZ2 LYS 22 1HZ LYS 22 -25.274 0.318 -18.388 192 HZ3 LYS 22 2HZ LYS 22 -26.166 1.266 -17.308 193 H ASN 23 H ASN 23 -22.673 7.168 -16.054 194 HA ASN 23 HA ASN 23 -25.181 7.747 -17.263 195 HB2 ASN 23 2HB ASN 23 -24.383 8.730 -15.106 196 HB3 ASN 23 3HB ASN 23 -23.227 9.693 -16.022 197 HD21 ASN 23 1HD2 ASN 23 -25.870 10.080 -14.395 198 HD22 ASN 23 2HD2 ASN 23 -26.720 11.242 -15.350 199 H SER 24 H SER 24 -21.926 9.107 -17.788 200 HA SER 24 HA SER 24 -22.832 10.263 -20.312 201 HB2 SER 24 2HB SER 24 -21.317 11.407 -18.473 202 HB3 SER 24 3HB SER 24 -20.026 10.553 -19.317 203 HG SER 24 HG SER 24 -20.128 12.034 -20.787 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.505 0.946 -0.035 2 HA2 GLY 1 2HA GLY 1 2.501 -0.521 -1.510 3 HA3 GLY 1 3HA GLY 1 1.098 -0.223 -0.496 4 H ARG 2 H ARG 2 2.864 1.119 -3.273 5 HA ARG 2 HA ARG 2 0.885 2.853 -4.185 6 HB2 ARG 2 2HB ARG 2 2.014 2.769 -6.343 7 HB3 ARG 2 3HB ARG 2 3.191 2.842 -5.038 8 HG2 ARG 2 2HG ARG 2 2.515 0.120 -5.833 9 HG3 ARG 2 3HG ARG 2 3.229 1.082 -7.129 10 HD2 ARG 2 2HD ARG 2 4.388 0.642 -4.379 11 HD3 ARG 2 3HD ARG 2 4.953 -0.092 -5.879 12 HE ARG 2 HE ARG 2 5.004 2.692 -6.176 13 HH11 ARG 2 1HH1 ARG 2 6.608 0.179 -4.378 14 HH12 ARG 2 2HH1 ARG 2 8.102 1.047 -4.247 15 HH21 ARG 2 1HH2 ARG 2 6.965 3.844 -6.010 16 HH22 ARG 2 2HH2 ARG 2 8.304 3.132 -5.175 17 H GLY 3 H GLY 3 1.053 -0.589 -4.299 18 HA2 GLY 3 2HA GLY 3 -1.200 -0.666 -6.202 19 HA3 GLY 3 3HA GLY 3 -0.101 -2.003 -5.894 20 H ARG 4 H ARG 4 -0.179 -1.574 -2.982 21 HA ARG 4 HA ARG 4 -2.406 -3.256 -2.415 22 HB2 ARG 4 2HB ARG 4 -0.588 -1.781 -0.501 23 HB3 ARG 4 3HB ARG 4 -1.669 -3.104 -0.085 24 HG2 ARG 4 2HG ARG 4 -0.266 -4.333 -1.974 25 HG3 ARG 4 3HG ARG 4 0.944 -3.150 -1.473 26 HD2 ARG 4 2HD ARG 4 -0.418 -4.463 0.755 27 HD3 ARG 4 3HD ARG 4 0.486 -5.572 -0.275 28 HE ARG 4 HE ARG 4 1.563 -3.616 1.518 29 HH11 ARG 4 1HH1 ARG 4 2.147 -5.402 -1.413 30 HH12 ARG 4 2HH1 ARG 4 3.872 -5.294 -1.290 31 HH21 ARG 4 1HH2 ARG 4 3.833 -3.466 1.691 32 HH22 ARG 4 2HH2 ARG 4 4.830 -4.193 0.476 33 H GLU 5 H GLU 5 -1.729 0.171 -1.999 34 HA GLU 5 HA GLU 5 -4.248 0.610 -0.615 35 HB2 GLU 5 2HB GLU 5 -2.034 1.818 -0.112 36 HB3 GLU 5 3HB GLU 5 -2.359 2.751 -1.567 37 HG2 GLU 5 2HG GLU 5 -3.199 4.089 0.119 38 HG3 GLU 5 3HG GLU 5 -4.632 3.258 -0.483 39 H PHE 6 H PHE 6 -3.283 0.278 -3.768 40 HA PHE 6 HA PHE 6 -5.153 2.245 -4.845 41 HB2 PHE 6 2HB PHE 6 -3.036 2.142 -5.983 42 HB3 PHE 6 3HB PHE 6 -3.165 0.396 -6.171 43 HD1 PHE 6 HD1 PHE 6 -5.158 3.443 -7.000 44 HD2 PHE 6 HD2 PHE 6 -3.737 -0.370 -8.249 45 HE1 PHE 6 HE1 PHE 6 -6.232 3.764 -9.190 46 HE2 PHE 6 HE2 PHE 6 -4.808 -0.054 -10.442 47 HZ PHE 6 HZ PHE 6 -6.057 2.015 -10.915 48 H MET 7 H MET 7 -4.656 -1.248 -4.686 49 HA MET 7 HA MET 7 -6.738 -2.067 -6.347 50 HB2 MET 7 2HB MET 7 -6.696 -4.180 -5.008 51 HB3 MET 7 3HB MET 7 -5.118 -3.663 -5.588 52 HG2 MET 7 2HG MET 7 -4.730 -2.639 -3.336 53 HG3 MET 7 3HG MET 7 -6.216 -3.421 -2.802 54 HE1 MET 7 3HE MET 7 -5.587 -6.563 -1.754 55 HE2 MET 7 1HE MET 7 -6.724 -5.559 -2.655 56 HE3 MET 7 2HE MET 7 -5.885 -6.883 -3.464 57 H SER 8 H SER 8 -6.752 -1.423 -2.853 58 HA SER 8 HA SER 8 -9.488 -2.060 -2.476 59 HB2 SER 8 2HB SER 8 -7.839 -2.021 -0.631 60 HB3 SER 8 3HB SER 8 -7.713 -0.270 -0.798 61 HG SER 8 HG SER 8 -9.434 -0.105 0.376 62 H ASN 9 H ASN 9 -7.793 1.057 -2.768 63 HA ASN 9 HA ASN 9 -10.026 2.715 -2.584 64 HB2 ASN 9 2HB ASN 9 -7.732 3.564 -2.463 65 HB3 ASN 9 3HB ASN 9 -7.477 3.153 -4.156 66 HD21 ASN 9 1HD2 ASN 9 -7.429 4.918 -5.330 67 HD22 ASN 9 2HD2 ASN 9 -8.480 6.280 -5.171 68 H LEU 10 H LEU 10 -8.661 1.010 -5.342 69 HA LEU 10 HA LEU 10 -9.948 2.207 -7.452 70 HB2 LEU 10 2HB LEU 10 -8.295 0.317 -7.529 71 HB3 LEU 10 3HB LEU 10 -9.627 -0.772 -7.145 72 HG LEU 10 HG LEU 10 -10.639 0.459 -9.318 73 HD11 LEU 10 1HD1 LEU 10 -8.293 1.627 -9.411 74 HD12 LEU 10 2HD1 LEU 10 -9.086 1.072 -10.885 75 HD13 LEU 10 3HD1 LEU 10 -7.804 0.105 -10.156 76 HD21 LEU 10 3HD2 LEU 10 -9.341 -2.056 -8.714 77 HD22 LEU 10 1HD2 LEU 10 -9.137 -1.603 -10.406 78 HD23 LEU 10 2HD2 LEU 10 -10.755 -1.727 -9.717 79 H LYS 11 H LYS 11 -11.166 -0.716 -5.802 80 HA LYS 11 HA LYS 11 -13.697 -0.710 -6.960 81 HB2 LYS 11 2HB LYS 11 -12.415 -1.999 -4.653 82 HB3 LYS 11 3HB LYS 11 -14.156 -1.810 -4.491 83 HG2 LYS 11 2HG LYS 11 -14.441 -2.943 -6.669 84 HG3 LYS 11 3HG LYS 11 -12.698 -3.213 -6.721 85 HD2 LYS 11 2HD LYS 11 -12.855 -4.481 -4.615 86 HD3 LYS 11 3HD LYS 11 -14.604 -4.245 -4.619 87 HE2 LYS 11 2HE LYS 11 -14.381 -6.353 -5.549 88 HE3 LYS 11 3HE LYS 11 -14.495 -5.321 -6.973 89 HZ1 LYS 11 3HZ LYS 11 -12.612 -6.274 -7.622 90 HZ2 LYS 11 1HZ LYS 11 -12.342 -6.987 -6.112 91 HZ3 LYS 11 2HZ LYS 11 -11.826 -5.403 -6.404 92 H GLU 12 H GLU 12 -12.466 1.031 -4.176 93 HA GLU 12 HA GLU 12 -14.947 1.874 -3.126 94 HB2 GLU 12 2HB GLU 12 -12.173 3.046 -2.925 95 HB3 GLU 12 3HB GLU 12 -13.557 3.703 -2.062 96 HG2 GLU 12 2HG GLU 12 -13.854 1.578 -0.905 97 HG3 GLU 12 3HG GLU 12 -12.477 0.908 -1.777 98 H LYS 13 H LYS 13 -12.947 3.046 -5.727 99 HA LYS 13 HA LYS 13 -14.484 5.502 -5.994 100 HB2 LYS 13 2HB LYS 13 -11.876 4.936 -6.508 101 HB3 LYS 13 3HB LYS 13 -12.569 4.762 -8.115 102 HG2 LYS 13 2HG LYS 13 -12.190 6.962 -8.258 103 HG3 LYS 13 3HG LYS 13 -13.688 7.098 -7.334 104 HD2 LYS 13 2HD LYS 13 -12.372 7.141 -5.252 105 HD3 LYS 13 3HD LYS 13 -10.888 7.067 -6.206 106 HE2 LYS 13 2HE LYS 13 -11.903 9.168 -7.389 107 HE3 LYS 13 3HE LYS 13 -12.853 9.297 -5.910 108 HZ1 LYS 13 3HZ LYS 13 -10.348 10.275 -6.272 109 HZ2 LYS 13 1HZ LYS 13 -10.066 8.844 -5.414 110 HZ3 LYS 13 2HZ LYS 13 -11.097 10.023 -4.777 111 H LEU 14 H LEU 14 -13.994 2.444 -7.686 112 HA LEU 14 HA LEU 14 -15.377 2.939 -10.029 113 HB2 LEU 14 2HB LEU 14 -15.248 0.404 -8.406 114 HB3 LEU 14 3HB LEU 14 -15.847 0.500 -10.060 115 HG LEU 14 HG LEU 14 -13.064 1.391 -9.405 116 HD11 LEU 14 1HD1 LEU 14 -12.783 -1.162 -10.375 117 HD12 LEU 14 2HD1 LEU 14 -14.113 -1.320 -9.228 118 HD13 LEU 14 3HD1 LEU 14 -12.564 -0.664 -8.697 119 HD21 LEU 14 3HD2 LEU 14 -13.406 1.928 -11.581 120 HD22 LEU 14 1HD2 LEU 14 -14.652 0.699 -11.805 121 HD23 LEU 14 2HD2 LEU 14 -12.949 0.239 -11.810 122 H SER 15 H SER 15 -16.598 2.300 -6.816 123 HA SER 15 HA SER 15 -19.267 1.707 -7.502 124 HB2 SER 15 2HB SER 15 -18.954 1.168 -5.309 125 HB3 SER 15 3HB SER 15 -17.809 2.483 -5.042 126 HG SER 15 HG SER 15 -20.553 2.428 -4.733 127 H GLY 16 H GLY 16 -17.502 4.678 -7.354 128 HA2 GLY 16 2HA GLY 16 -19.999 6.227 -7.549 129 HA3 GLY 16 3HA GLY 16 -18.425 6.885 -7.123 130 H VAL 17 H VAL 17 -16.984 5.550 -9.235 131 HA VAL 17 HA VAL 17 -17.064 7.465 -11.227 132 HB VAL 17 HB VAL 17 -15.318 5.585 -10.750 133 HG11 VAL 17 1HG1 VAL 17 -16.680 4.262 -13.065 134 HG12 VAL 17 2HG1 VAL 17 -15.453 3.615 -11.974 135 HG13 VAL 17 3HG1 VAL 17 -17.108 3.841 -11.407 136 HG21 VAL 17 3HG2 VAL 17 -14.431 6.944 -12.295 137 HG22 VAL 17 1HG2 VAL 17 -14.936 5.717 -13.458 138 HG23 VAL 17 2HG2 VAL 17 -15.962 7.119 -13.153 139 H LYS 18 H LYS 18 -19.037 4.639 -10.813 140 HA LYS 18 HA LYS 18 -19.987 4.419 -13.474 141 HB2 LYS 18 2HB LYS 18 -21.035 3.469 -10.817 142 HB3 LYS 18 3HB LYS 18 -21.928 3.198 -12.308 143 HG2 LYS 18 2HG LYS 18 -19.114 2.404 -12.434 144 HG3 LYS 18 3HG LYS 18 -20.079 1.504 -11.261 145 HD2 LYS 18 2HD LYS 18 -21.765 1.481 -13.355 146 HD3 LYS 18 3HD LYS 18 -20.223 1.546 -14.213 147 HE2 LYS 18 2HE LYS 18 -21.062 -0.496 -12.157 148 HE3 LYS 18 3HE LYS 18 -20.896 -0.757 -13.893 149 HZ1 LYS 18 3HZ LYS 18 -18.869 -1.478 -13.296 150 HZ2 LYS 18 1HZ LYS 18 -18.856 -0.623 -11.837 151 HZ3 LYS 18 2HZ LYS 18 -18.472 0.167 -13.283 152 H GLU 19 H GLU 19 -20.960 6.332 -10.707 153 HA GLU 19 HA GLU 19 -23.505 7.115 -11.435 154 HB2 GLU 19 2HB GLU 19 -22.694 7.780 -9.309 155 HB3 GLU 19 3HB GLU 19 -21.309 8.604 -10.011 156 HG2 GLU 19 2HG GLU 19 -22.599 10.403 -10.746 157 HG3 GLU 19 3HG GLU 19 -24.107 9.507 -10.574 158 H LYS 20 H LYS 20 -20.399 8.376 -12.542 159 HA LYS 20 HA LYS 20 -21.769 10.227 -14.350 160 HB2 LYS 20 2HB LYS 20 -19.988 11.254 -13.138 161 HB3 LYS 20 3HB LYS 20 -18.884 9.939 -13.517 162 HG2 LYS 20 2HG LYS 20 -18.232 10.934 -15.385 163 HG3 LYS 20 3HG LYS 20 -19.899 11.134 -15.930 164 HD2 LYS 20 2HD LYS 20 -19.434 13.331 -15.720 165 HD3 LYS 20 3HD LYS 20 -19.772 13.037 -14.012 166 HE2 LYS 20 2HE LYS 20 -17.137 12.329 -14.216 167 HE3 LYS 20 3HE LYS 20 -17.250 13.669 -15.356 168 HZ1 LYS 20 3HZ LYS 20 -17.362 13.694 -12.485 169 HZ2 LYS 20 1HZ LYS 20 -18.615 14.576 -13.203 170 HZ3 LYS 20 2HZ LYS 20 -17.005 14.948 -13.564 171 H MET 21 H MET 21 -19.526 7.495 -14.375 172 HA MET 21 HA MET 21 -18.991 7.416 -17.114 173 HB2 MET 21 2HB MET 21 -17.650 6.052 -15.746 174 HB3 MET 21 3HB MET 21 -19.043 5.300 -14.979 175 HG2 MET 21 2HG MET 21 -19.573 4.170 -17.095 176 HG3 MET 21 3HG MET 21 -18.135 4.887 -17.817 177 HE1 MET 21 3HE MET 21 -15.470 3.816 -17.162 178 HE2 MET 21 1HE MET 21 -15.843 2.137 -17.557 179 HE3 MET 21 2HE MET 21 -16.625 3.446 -18.444 180 H LYS 22 H LYS 22 -21.174 5.152 -15.436 181 HA LYS 22 HA LYS 22 -22.457 4.153 -17.656 182 HB2 LYS 22 2HB LYS 22 -22.797 4.016 -14.852 183 HB3 LYS 22 3HB LYS 22 -24.369 4.420 -15.529 184 HG2 LYS 22 2HG LYS 22 -22.674 2.106 -16.444 185 HG3 LYS 22 3HG LYS 22 -23.974 1.987 -15.255 186 HD2 LYS 22 2HD LYS 22 -25.610 2.244 -16.818 187 HD3 LYS 22 3HD LYS 22 -24.618 3.282 -17.844 188 HE2 LYS 22 2HE LYS 22 -23.387 1.390 -18.662 189 HE3 LYS 22 3HE LYS 22 -24.185 0.317 -17.514 190 HZ1 LYS 22 3HZ LYS 22 -26.317 0.978 -18.664 191 HZ2 LYS 22 1HZ LYS 22 -25.267 -0.009 -19.550 192 HZ3 LYS 22 2HZ LYS 22 -25.356 1.647 -19.884 193 H ASN 23 H ASN 23 -22.967 7.193 -16.024 194 HA ASN 23 HA ASN 23 -25.481 7.802 -17.207 195 HB2 ASN 23 2HB ASN 23 -24.588 8.878 -15.133 196 HB3 ASN 23 3HB ASN 23 -23.419 9.736 -16.133 197 HD21 ASN 23 1HD2 ASN 23 -26.277 10.037 -14.610 198 HD22 ASN 23 2HD2 ASN 23 -26.998 11.287 -15.560 199 H SER 24 H SER 24 -22.188 8.991 -17.889 200 HA SER 24 HA SER 24 -21.246 9.877 -19.760 201 HB2 SER 24 2HB SER 24 -22.797 7.645 -20.606 202 HB3 SER 24 3HB SER 24 -22.979 8.912 -21.818 203 HG SER 24 HG SER 24 -21.162 7.825 -22.383 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.250 0.375 1.235 2 HA2 GLY 1 2HA GLY 1 2.818 -0.517 -1.163 3 HA3 GLY 1 3HA GLY 1 1.239 -0.880 -0.482 4 H ARG 2 H ARG 2 2.998 0.955 -2.829 5 HA ARG 2 HA ARG 2 1.059 2.776 -3.656 6 HB2 ARG 2 2HB ARG 2 2.260 2.864 -5.776 7 HB3 ARG 2 3HB ARG 2 3.392 2.823 -4.430 8 HG2 ARG 2 2HG ARG 2 2.705 0.194 -5.533 9 HG3 ARG 2 3HG ARG 2 3.562 1.269 -6.640 10 HD2 ARG 2 2HD ARG 2 4.617 1.135 -3.889 11 HD3 ARG 2 3HD ARG 2 4.784 -0.333 -4.851 12 HE ARG 2 HE ARG 2 5.704 1.560 -6.523 13 HH11 ARG 2 1HH1 ARG 2 6.411 0.823 -3.195 14 HH12 ARG 2 2HH1 ARG 2 8.045 1.390 -3.280 15 HH21 ARG 2 1HH2 ARG 2 7.855 2.311 -6.648 16 HH22 ARG 2 2HH2 ARG 2 8.865 2.237 -5.244 17 H GLY 3 H GLY 3 1.213 -0.645 -4.047 18 HA2 GLY 3 2HA GLY 3 -0.931 -0.563 -6.067 19 HA3 GLY 3 3HA GLY 3 0.104 -1.946 -5.745 20 H ARG 4 H ARG 4 -0.143 -1.721 -2.849 21 HA ARG 4 HA ARG 4 -2.422 -3.355 -2.493 22 HB2 ARG 4 2HB ARG 4 -0.760 -1.913 -0.418 23 HB3 ARG 4 3HB ARG 4 -1.897 -3.215 -0.093 24 HG2 ARG 4 2HG ARG 4 -0.365 -4.460 -1.877 25 HG3 ARG 4 3HG ARG 4 0.820 -3.310 -1.254 26 HD2 ARG 4 2HD ARG 4 -0.732 -4.566 0.857 27 HD3 ARG 4 3HD ARG 4 0.138 -5.741 -0.128 28 HE ARG 4 HE ARG 4 1.800 -3.558 0.645 29 HH11 ARG 4 1HH1 ARG 4 0.410 -6.550 1.755 30 HH12 ARG 4 2HH1 ARG 4 1.657 -6.848 2.921 31 HH21 ARG 4 1HH2 ARG 4 3.447 -3.938 2.176 32 HH22 ARG 4 2HH2 ARG 4 3.383 -5.361 3.160 33 H GLU 5 H GLU 5 -1.785 0.057 -1.843 34 HA GLU 5 HA GLU 5 -4.406 0.463 -0.688 35 HB2 GLU 5 2HB GLU 5 -2.237 1.697 -0.051 36 HB3 GLU 5 3HB GLU 5 -2.498 2.638 -1.513 37 HG2 GLU 5 2HG GLU 5 -4.762 3.227 -0.617 38 HG3 GLU 5 3HG GLU 5 -4.282 2.466 0.899 39 H PHE 6 H PHE 6 -3.229 0.175 -3.778 40 HA PHE 6 HA PHE 6 -5.046 2.124 -4.965 41 HB2 PHE 6 2HB PHE 6 -2.594 0.861 -5.769 42 HB3 PHE 6 3HB PHE 6 -3.836 0.549 -6.978 43 HD1 PHE 6 HD1 PHE 6 -2.172 3.264 -5.080 44 HD2 PHE 6 HD2 PHE 6 -4.441 2.192 -8.518 45 HE1 PHE 6 HE1 PHE 6 -1.829 5.518 -6.005 46 HE2 PHE 6 HE2 PHE 6 -4.101 4.443 -9.449 47 HZ PHE 6 HZ PHE 6 -2.793 6.110 -8.193 48 H MET 7 H MET 7 -4.487 -1.380 -4.945 49 HA MET 7 HA MET 7 -6.524 -2.157 -6.662 50 HB2 MET 7 2HB MET 7 -6.493 -4.320 -5.393 51 HB3 MET 7 3HB MET 7 -4.912 -3.768 -5.933 52 HG2 MET 7 2HG MET 7 -4.570 -2.816 -3.640 53 HG3 MET 7 3HG MET 7 -6.051 -3.638 -3.157 54 HE1 MET 7 3HE MET 7 -2.625 -5.800 -5.136 55 HE2 MET 7 1HE MET 7 -3.056 -4.095 -5.275 56 HE3 MET 7 2HE MET 7 -1.997 -4.633 -3.971 57 H SER 8 H SER 8 -6.642 -1.673 -3.143 58 HA SER 8 HA SER 8 -9.374 -2.359 -2.863 59 HB2 SER 8 2HB SER 8 -7.779 -2.356 -0.973 60 HB3 SER 8 3HB SER 8 -7.671 -0.599 -1.080 61 HG SER 8 HG SER 8 -9.812 -2.207 -0.231 62 H ASN 9 H ASN 9 -7.735 0.801 -2.986 63 HA ASN 9 HA ASN 9 -9.995 2.414 -2.804 64 HB2 ASN 9 2HB ASN 9 -7.725 3.303 -2.615 65 HB3 ASN 9 3HB ASN 9 -7.422 2.936 -4.310 66 HD21 ASN 9 1HD2 ASN 9 -7.443 4.683 -5.505 67 HD22 ASN 9 2HD2 ASN 9 -8.495 6.041 -5.315 68 H LEU 10 H LEU 10 -8.544 0.836 -5.598 69 HA LEU 10 HA LEU 10 -9.831 2.077 -7.683 70 HB2 LEU 10 2HB LEU 10 -8.125 0.240 -7.808 71 HB3 LEU 10 3HB LEU 10 -9.427 -0.901 -7.477 72 HG LEU 10 HG LEU 10 -10.401 0.473 -9.635 73 HD11 LEU 10 1HD1 LEU 10 -7.450 0.600 -9.664 74 HD12 LEU 10 2HD1 LEU 10 -8.642 1.648 -10.432 75 HD13 LEU 10 3HD1 LEU 10 -8.235 0.094 -11.160 76 HD21 LEU 10 3HD2 LEU 10 -8.667 -1.947 -9.973 77 HD22 LEU 10 1HD2 LEU 10 -10.186 -1.544 -10.773 78 HD23 LEU 10 2HD2 LEU 10 -10.185 -2.033 -9.078 79 H LYS 11 H LYS 11 -10.994 -0.934 -6.157 80 HA LYS 11 HA LYS 11 -13.506 -0.955 -7.356 81 HB2 LYS 11 2HB LYS 11 -12.245 -2.271 -5.038 82 HB3 LYS 11 3HB LYS 11 -14.000 -2.176 -4.972 83 HG2 LYS 11 2HG LYS 11 -14.265 -3.714 -6.575 84 HG3 LYS 11 3HG LYS 11 -12.945 -3.067 -7.552 85 HD2 LYS 11 2HD LYS 11 -12.208 -5.197 -6.914 86 HD3 LYS 11 3HD LYS 11 -11.388 -4.099 -5.801 87 HE2 LYS 11 2HE LYS 11 -12.765 -4.687 -4.017 88 HE3 LYS 11 3HE LYS 11 -14.018 -5.336 -5.074 89 HZ1 LYS 11 3HZ LYS 11 -12.653 -7.022 -3.852 90 HZ2 LYS 11 1HZ LYS 11 -11.335 -6.567 -4.811 91 HZ3 LYS 11 2HZ LYS 11 -12.714 -7.233 -5.530 92 H GLU 12 H GLU 12 -12.364 0.718 -4.494 93 HA GLU 12 HA GLU 12 -14.884 1.454 -3.454 94 HB2 GLU 12 2HB GLU 12 -12.147 2.692 -3.166 95 HB3 GLU 12 3HB GLU 12 -13.560 3.279 -2.302 96 HG2 GLU 12 2HG GLU 12 -13.815 1.106 -1.227 97 HG3 GLU 12 3HG GLU 12 -12.407 0.506 -2.101 98 H LYS 13 H LYS 13 -12.878 2.773 -5.979 99 HA LYS 13 HA LYS 13 -14.479 5.194 -6.182 100 HB2 LYS 13 2HB LYS 13 -11.849 4.719 -6.673 101 HB3 LYS 13 3HB LYS 13 -12.512 4.585 -8.296 102 HG2 LYS 13 2HG LYS 13 -12.853 6.785 -8.465 103 HG3 LYS 13 3HG LYS 13 -13.481 6.911 -6.820 104 HD2 LYS 13 2HD LYS 13 -11.297 7.049 -5.904 105 HD3 LYS 13 3HD LYS 13 -10.552 6.573 -7.432 106 HE2 LYS 13 2HE LYS 13 -10.776 8.647 -8.343 107 HE3 LYS 13 3HE LYS 13 -12.252 9.001 -7.447 108 HZ1 LYS 13 3HZ LYS 13 -9.738 9.929 -6.880 109 HZ2 LYS 13 1HZ LYS 13 -10.010 8.736 -5.711 110 HZ3 LYS 13 2HZ LYS 13 -11.094 10.023 -5.873 111 H LEU 14 H LEU 14 -13.877 2.215 -7.974 112 HA LEU 14 HA LEU 14 -15.238 2.757 -10.320 113 HB2 LEU 14 2HB LEU 14 -15.062 0.168 -8.788 114 HB3 LEU 14 3HB LEU 14 -15.638 0.308 -10.447 115 HG LEU 14 HG LEU 14 -12.892 1.254 -9.719 116 HD11 LEU 14 1HD1 LEU 14 -13.822 -1.432 -9.455 117 HD12 LEU 14 2HD1 LEU 14 -12.198 -0.788 -9.217 118 HD13 LEU 14 3HD1 LEU 14 -12.705 -1.332 -10.816 119 HD21 LEU 14 3HD2 LEU 14 -14.319 0.364 -12.202 120 HD22 LEU 14 1HD2 LEU 14 -12.557 0.393 -12.114 121 HD23 LEU 14 2HD2 LEU 14 -13.475 1.882 -11.889 122 H SER 15 H SER 15 -16.489 1.969 -7.153 123 HA SER 15 HA SER 15 -19.129 1.326 -7.902 124 HB2 SER 15 2HB SER 15 -19.679 1.514 -5.598 125 HB3 SER 15 3HB SER 15 -18.011 0.942 -5.639 126 HG SER 15 HG SER 15 -17.534 2.637 -4.515 127 H GLY 16 H GLY 16 -17.452 4.338 -7.617 128 HA2 GLY 16 2HA GLY 16 -19.988 5.823 -7.796 129 HA3 GLY 16 3HA GLY 16 -18.441 6.508 -7.321 130 H VAL 17 H VAL 17 -16.931 5.291 -9.457 131 HA VAL 17 HA VAL 17 -17.035 7.276 -11.380 132 HB VAL 17 HB VAL 17 -15.244 5.428 -10.943 133 HG11 VAL 17 1HG1 VAL 17 -16.974 3.661 -11.691 134 HG12 VAL 17 2HG1 VAL 17 -16.530 4.152 -13.327 135 HG13 VAL 17 3HG1 VAL 17 -15.305 3.502 -12.238 136 HG21 VAL 17 3HG2 VAL 17 -14.826 5.672 -13.639 137 HG22 VAL 17 1HG2 VAL 17 -15.894 7.033 -13.296 138 HG23 VAL 17 2HG2 VAL 17 -14.370 6.865 -12.424 139 H LYS 18 H LYS 18 -18.933 4.382 -11.100 140 HA LYS 18 HA LYS 18 -19.836 4.234 -13.783 141 HB2 LYS 18 2HB LYS 18 -20.056 2.298 -12.397 142 HB3 LYS 18 3HB LYS 18 -20.979 3.188 -11.193 143 HG2 LYS 18 2HG LYS 18 -22.860 3.353 -12.658 144 HG3 LYS 18 3HG LYS 18 -21.934 2.676 -14.000 145 HD2 LYS 18 2HD LYS 18 -22.044 1.027 -11.558 146 HD3 LYS 18 3HD LYS 18 -23.574 1.228 -12.416 147 HE2 LYS 18 2HE LYS 18 -22.851 -0.508 -13.644 148 HE3 LYS 18 3HE LYS 18 -21.885 0.711 -14.475 149 HZ1 LYS 18 3HZ LYS 18 -20.089 -0.395 -13.847 150 HZ2 LYS 18 1HZ LYS 18 -21.011 -1.491 -12.947 151 HZ3 LYS 18 2HZ LYS 18 -20.452 -0.066 -12.228 152 H GLU 19 H GLU 19 -20.901 6.021 -10.966 153 HA GLU 19 HA GLU 19 -23.458 6.757 -11.704 154 HB2 GLU 19 2HB GLU 19 -22.693 7.366 -9.542 155 HB3 GLU 19 3HB GLU 19 -21.325 8.257 -10.195 156 HG2 GLU 19 2HG GLU 19 -22.656 10.043 -10.877 157 HG3 GLU 19 3HG GLU 19 -24.139 9.097 -10.771 158 H LYS 20 H LYS 20 -20.373 8.150 -12.711 159 HA LYS 20 HA LYS 20 -21.769 10.023 -14.476 160 HB2 LYS 20 2HB LYS 20 -20.038 11.057 -13.200 161 HB3 LYS 20 3HB LYS 20 -18.890 9.788 -13.606 162 HG2 LYS 20 2HG LYS 20 -18.236 10.872 -15.424 163 HG3 LYS 20 3HG LYS 20 -19.899 11.036 -15.993 164 HD2 LYS 20 2HD LYS 20 -18.720 12.816 -13.872 165 HD3 LYS 20 3HD LYS 20 -18.626 13.192 -15.594 166 HE2 LYS 20 2HE LYS 20 -21.231 12.607 -14.213 167 HE3 LYS 20 3HE LYS 20 -20.546 14.230 -14.279 168 HZ1 LYS 20 3HZ LYS 20 -21.639 14.387 -16.201 169 HZ2 LYS 20 1HZ LYS 20 -21.873 12.716 -16.331 170 HZ3 LYS 20 2HZ LYS 20 -20.421 13.410 -16.853 171 H MET 21 H MET 21 -19.448 7.358 -14.561 172 HA MET 21 HA MET 21 -18.866 7.394 -17.291 173 HB2 MET 21 2HB MET 21 -17.511 6.018 -15.950 174 HB3 MET 21 3HB MET 21 -18.894 5.200 -15.236 175 HG2 MET 21 2HG MET 21 -19.356 4.135 -17.402 176 HG3 MET 21 3HG MET 21 -17.926 4.918 -18.071 177 HE1 MET 21 3HE MET 21 -15.866 3.894 -18.294 178 HE2 MET 21 1HE MET 21 -15.418 2.296 -17.694 179 HE3 MET 21 2HE MET 21 -16.778 2.472 -18.803 180 H LYS 22 H LYS 22 -21.011 5.009 -15.736 181 HA LYS 22 HA LYS 22 -22.229 4.058 -18.012 182 HB2 LYS 22 2HB LYS 22 -22.547 2.966 -15.887 183 HB3 LYS 22 3HB LYS 22 -23.367 4.377 -15.232 184 HG2 LYS 22 2HG LYS 22 -24.576 3.230 -17.654 185 HG3 LYS 22 3HG LYS 22 -24.627 2.208 -16.215 186 HD2 LYS 22 2HD LYS 22 -25.442 4.419 -15.058 187 HD3 LYS 22 3HD LYS 22 -25.887 4.869 -16.706 188 HE2 LYS 22 2HE LYS 22 -27.672 3.540 -16.664 189 HE3 LYS 22 3HE LYS 22 -26.714 2.170 -16.106 190 HZ1 LYS 22 3HZ LYS 22 -27.934 4.288 -14.421 191 HZ2 LYS 22 1HZ LYS 22 -26.886 3.094 -13.838 192 HZ3 LYS 22 2HZ LYS 22 -28.385 2.659 -14.490 193 H ASN 23 H ASN 23 -22.853 7.020 -16.279 194 HA ASN 23 HA ASN 23 -25.363 7.602 -17.483 195 HB2 ASN 23 2HB ASN 23 -24.535 8.627 -15.356 196 HB3 ASN 23 3HB ASN 23 -23.374 9.552 -16.303 197 HD21 ASN 23 1HD2 ASN 23 -25.986 10.027 -14.662 198 HD22 ASN 23 2HD2 ASN 23 -26.833 11.172 -15.641 199 H SER 24 H SER 24 -22.095 8.907 -18.064 200 HA SER 24 HA SER 24 -23.000 9.725 -20.746 201 HB2 SER 24 2HB SER 24 -21.227 10.994 -18.744 202 HB3 SER 24 3HB SER 24 -20.691 11.105 -20.420 203 HG SER 24 HG SER 24 -22.693 12.426 -19.167 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.770 2.185 0.413 2 HA2 GLY 1 2HA GLY 1 2.720 -0.112 -0.984 3 HA3 GLY 1 3HA GLY 1 1.112 -0.391 -0.334 4 H ARG 2 H ARG 2 3.011 1.391 -2.646 5 HA ARG 2 HA ARG 2 1.094 3.155 -3.630 6 HB2 ARG 2 2HB ARG 2 2.424 3.226 -5.672 7 HB3 ARG 2 3HB ARG 2 3.469 3.235 -4.258 8 HG2 ARG 2 2HG ARG 2 2.934 0.557 -5.275 9 HG3 ARG 2 3HG ARG 2 3.739 1.608 -6.441 10 HD2 ARG 2 2HD ARG 2 4.653 1.024 -3.626 11 HD3 ARG 2 3HD ARG 2 5.370 0.393 -5.108 12 HE ARG 2 HE ARG 2 5.415 3.161 -5.297 13 HH11 ARG 2 1HH1 ARG 2 6.785 0.679 -3.277 14 HH12 ARG 2 2HH1 ARG 2 8.211 1.589 -2.903 15 HH21 ARG 2 1HH2 ARG 2 7.287 4.369 -4.812 16 HH22 ARG 2 2HH2 ARG 2 8.496 3.688 -3.775 17 H GLY 3 H GLY 3 1.338 -0.269 -3.941 18 HA2 GLY 3 2HA GLY 3 -0.733 -0.250 -6.044 19 HA3 GLY 3 3HA GLY 3 0.371 -1.584 -5.742 20 H ARG 4 H ARG 4 0.084 -1.512 -2.864 21 HA ARG 4 HA ARG 4 -2.170 -3.217 -2.616 22 HB2 ARG 4 2HB ARG 4 -0.527 -1.918 -0.435 23 HB3 ARG 4 3HB ARG 4 -1.609 -3.289 -0.237 24 HG2 ARG 4 2HG ARG 4 -0.019 -4.271 -2.149 25 HG3 ARG 4 3HG ARG 4 1.113 -3.165 -1.367 26 HD2 ARG 4 2HD ARG 4 1.432 -4.659 0.243 27 HD3 ARG 4 3HD ARG 4 -0.271 -4.532 0.681 28 HE ARG 4 HE ARG 4 -0.608 -6.579 -0.264 29 HH11 ARG 4 1HH1 ARG 4 2.342 -5.239 -1.538 30 HH12 ARG 4 2HH1 ARG 4 2.764 -6.669 -2.420 31 HH21 ARG 4 1HH2 ARG 4 -0.063 -8.468 -1.421 32 HH22 ARG 4 2HH2 ARG 4 1.395 -8.505 -2.353 33 H GLU 5 H GLU 5 -1.642 0.183 -2.072 34 HA GLU 5 HA GLU 5 -4.181 0.499 -0.686 35 HB2 GLU 5 2HB GLU 5 -2.022 1.782 -0.141 36 HB3 GLU 5 3HB GLU 5 -2.368 2.727 -1.583 37 HG2 GLU 5 2HG GLU 5 -4.279 3.668 -0.665 38 HG3 GLU 5 3HG GLU 5 -4.426 2.409 0.561 39 H PHE 6 H PHE 6 -3.039 0.457 -3.858 40 HA PHE 6 HA PHE 6 -4.990 2.319 -4.915 41 HB2 PHE 6 2HB PHE 6 -2.871 2.248 -6.044 42 HB3 PHE 6 3HB PHE 6 -2.974 0.501 -6.240 43 HD1 PHE 6 HD1 PHE 6 -4.307 3.734 -7.378 44 HD2 PHE 6 HD2 PHE 6 -4.216 -0.473 -8.020 45 HE1 PHE 6 HE1 PHE 6 -5.368 4.049 -9.575 46 HE2 PHE 6 HE2 PHE 6 -5.276 -0.164 -10.218 47 HZ PHE 6 HZ PHE 6 -5.853 2.099 -10.999 48 H MET 7 H MET 7 -4.469 -1.172 -4.801 49 HA MET 7 HA MET 7 -6.536 -1.985 -6.481 50 HB2 MET 7 2HB MET 7 -6.488 -4.113 -5.165 51 HB3 MET 7 3HB MET 7 -4.911 -3.581 -5.733 52 HG2 MET 7 2HG MET 7 -4.538 -2.580 -3.469 53 HG3 MET 7 3HG MET 7 -6.022 -3.376 -2.949 54 HE1 MET 7 3HE MET 7 -3.052 -3.866 -5.057 55 HE2 MET 7 1HE MET 7 -1.998 -4.847 -4.038 56 HE3 MET 7 2HE MET 7 -3.038 -5.621 -5.233 57 H SER 8 H SER 8 -6.576 -1.387 -2.979 58 HA SER 8 HA SER 8 -9.310 -2.047 -2.627 59 HB2 SER 8 2HB SER 8 -7.673 -2.016 -0.771 60 HB3 SER 8 3HB SER 8 -7.557 -0.263 -0.918 61 HG SER 8 HG SER 8 -9.259 -1.594 0.535 62 H ASN 9 H ASN 9 -7.637 1.088 -2.868 63 HA ASN 9 HA ASN 9 -9.884 2.726 -2.681 64 HB2 ASN 9 2HB ASN 9 -7.598 3.592 -2.535 65 HB3 ASN 9 3HB ASN 9 -7.328 3.201 -4.231 66 HD21 ASN 9 1HD2 ASN 9 -7.340 4.944 -5.434 67 HD22 ASN 9 2HD2 ASN 9 -8.382 6.309 -5.248 68 H LEU 10 H LEU 10 -8.486 1.066 -5.451 69 HA LEU 10 HA LEU 10 -9.773 2.277 -7.553 70 HB2 LEU 10 2HB LEU 10 -8.100 0.402 -7.640 71 HB3 LEU 10 3HB LEU 10 -9.428 -0.702 -7.285 72 HG LEU 10 HG LEU 10 -10.442 0.526 -9.444 73 HD11 LEU 10 1HD1 LEU 10 -7.955 1.628 -9.416 74 HD12 LEU 10 2HD1 LEU 10 -8.960 1.439 -10.853 75 HD13 LEU 10 3HD1 LEU 10 -7.719 0.242 -10.482 76 HD21 LEU 10 3HD2 LEU 10 -9.825 -1.956 -8.868 77 HD22 LEU 10 1HD2 LEU 10 -8.455 -1.641 -9.933 78 HD23 LEU 10 2HD2 LEU 10 -10.102 -1.462 -10.539 79 H LYS 11 H LYS 11 -10.972 -0.676 -5.944 80 HA LYS 11 HA LYS 11 -13.496 -0.682 -7.118 81 HB2 LYS 11 2HB LYS 11 -12.152 -2.302 -5.359 82 HB3 LYS 11 3HB LYS 11 -13.438 -1.656 -4.348 83 HG2 LYS 11 2HG LYS 11 -15.115 -2.577 -5.695 84 HG3 LYS 11 3HG LYS 11 -14.003 -2.859 -7.036 85 HD2 LYS 11 2HD LYS 11 -14.468 -4.964 -5.984 86 HD3 LYS 11 3HD LYS 11 -12.804 -4.512 -5.608 87 HE2 LYS 11 2HE LYS 11 -13.220 -4.409 -3.413 88 HE3 LYS 11 3HE LYS 11 -14.721 -3.517 -3.655 89 HZ1 LYS 11 3HZ LYS 11 -15.721 -5.382 -3.012 90 HZ2 LYS 11 1HZ LYS 11 -14.320 -6.315 -3.183 91 HZ3 LYS 11 2HZ LYS 11 -15.312 -6.025 -4.522 92 H GLU 12 H GLU 12 -12.298 1.038 -4.307 93 HA GLU 12 HA GLU 12 -14.793 1.844 -3.262 94 HB2 GLU 12 2HB GLU 12 -12.033 3.041 -3.030 95 HB3 GLU 12 3HB GLU 12 -13.427 3.673 -2.167 96 HG2 GLU 12 2HG GLU 12 -13.710 1.532 -1.037 97 HG3 GLU 12 3HG GLU 12 -12.321 0.886 -1.910 98 H LYS 13 H LYS 13 -12.790 3.067 -5.836 99 HA LYS 13 HA LYS 13 -14.351 5.511 -6.083 100 HB2 LYS 13 2HB LYS 13 -11.734 4.977 -6.588 101 HB3 LYS 13 3HB LYS 13 -12.416 4.815 -8.201 102 HG2 LYS 13 2HG LYS 13 -11.778 7.041 -8.094 103 HG3 LYS 13 3HG LYS 13 -13.508 7.093 -7.750 104 HD2 LYS 13 2HD LYS 13 -12.915 8.318 -5.967 105 HD3 LYS 13 3HD LYS 13 -12.445 6.773 -5.254 106 HE2 LYS 13 2HE LYS 13 -10.167 7.130 -6.267 107 HE3 LYS 13 3HE LYS 13 -10.686 8.764 -6.674 108 HZ1 LYS 13 3HZ LYS 13 -10.363 9.434 -4.594 109 HZ2 LYS 13 1HZ LYS 13 -9.555 7.972 -4.321 110 HZ3 LYS 13 2HZ LYS 13 -11.196 8.116 -3.938 111 H LEU 14 H LEU 14 -13.819 2.478 -7.808 112 HA LEU 14 HA LEU 14 -15.194 2.988 -10.153 113 HB2 LEU 14 2HB LEU 14 -15.048 0.434 -8.560 114 HB3 LEU 14 3HB LEU 14 -15.639 0.544 -10.217 115 HG LEU 14 HG LEU 14 -12.869 1.457 -9.537 116 HD11 LEU 14 1HD1 LEU 14 -12.682 -1.134 -10.566 117 HD12 LEU 14 2HD1 LEU 14 -13.863 -1.225 -9.261 118 HD13 LEU 14 3HD1 LEU 14 -12.249 -0.588 -8.946 119 HD21 LEU 14 3HD2 LEU 14 -14.278 0.449 -11.997 120 HD22 LEU 14 1HD2 LEU 14 -12.526 0.628 -11.899 121 HD23 LEU 14 2HD2 LEU 14 -13.568 2.040 -11.720 122 H SER 15 H SER 15 -16.427 2.297 -6.956 123 HA SER 15 HA SER 15 -19.085 1.685 -7.664 124 HB2 SER 15 2HB SER 15 -18.433 1.120 -5.463 125 HB3 SER 15 3HB SER 15 -17.823 2.743 -5.138 126 HG SER 15 HG SER 15 -19.751 2.783 -4.181 127 H GLY 16 H GLY 16 -17.352 4.672 -7.470 128 HA2 GLY 16 2HA GLY 16 -19.863 6.198 -7.660 129 HA3 GLY 16 3HA GLY 16 -18.299 6.866 -7.217 130 H VAL 17 H VAL 17 -16.833 5.571 -9.337 131 HA VAL 17 HA VAL 17 -16.921 7.510 -11.306 132 HB VAL 17 HB VAL 17 -15.158 5.643 -10.842 133 HG11 VAL 17 1HG1 VAL 17 -16.494 4.334 -13.181 134 HG12 VAL 17 2HG1 VAL 17 -15.266 3.687 -12.091 135 HG13 VAL 17 3HG1 VAL 17 -16.926 3.888 -11.530 136 HG21 VAL 17 3HG2 VAL 17 -15.802 7.203 -13.226 137 HG22 VAL 17 1HG2 VAL 17 -14.273 7.024 -12.365 138 HG23 VAL 17 2HG2 VAL 17 -14.766 5.813 -13.549 139 H LYS 18 H LYS 18 -18.867 4.659 -10.938 140 HA LYS 18 HA LYS 18 -19.799 4.461 -13.608 141 HB2 LYS 18 2HB LYS 18 -20.251 3.130 -11.112 142 HB3 LYS 18 3HB LYS 18 -21.805 3.518 -11.838 143 HG2 LYS 18 2HG LYS 18 -20.615 2.517 -13.989 144 HG3 LYS 18 3HG LYS 18 -19.689 1.661 -12.754 145 HD2 LYS 18 2HD LYS 18 -22.125 1.249 -11.770 146 HD3 LYS 18 3HD LYS 18 -22.565 1.454 -13.468 147 HE2 LYS 18 2HE LYS 18 -20.416 -0.216 -13.644 148 HE3 LYS 18 3HE LYS 18 -21.153 -0.741 -12.131 149 HZ1 LYS 18 3HZ LYS 18 -22.280 -2.012 -13.638 150 HZ2 LYS 18 1HZ LYS 18 -22.236 -0.838 -14.856 151 HZ3 LYS 18 2HZ LYS 18 -23.313 -0.675 -13.562 152 H GLU 19 H GLU 19 -20.803 6.336 -10.826 153 HA GLU 19 HA GLU 19 -23.354 7.100 -11.558 154 HB2 GLU 19 2HB GLU 19 -22.557 7.748 -9.419 155 HB3 GLU 19 3HB GLU 19 -21.180 8.597 -10.107 156 HG2 GLU 19 2HG GLU 19 -22.482 10.393 -10.814 157 HG3 GLU 19 3HG GLU 19 -23.981 9.476 -10.683 158 H LYS 20 H LYS 20 -20.255 8.412 -12.628 159 HA LYS 20 HA LYS 20 -21.635 10.266 -14.425 160 HB2 LYS 20 2HB LYS 20 -19.873 11.300 -13.192 161 HB3 LYS 20 3HB LYS 20 -18.752 10.001 -13.577 162 HG2 LYS 20 2HG LYS 20 -18.097 11.027 -15.427 163 HG3 LYS 20 3HG LYS 20 -19.762 11.207 -15.985 164 HD2 LYS 20 2HD LYS 20 -18.632 13.014 -13.874 165 HD3 LYS 20 3HD LYS 20 -18.358 13.333 -15.588 166 HE2 LYS 20 2HE LYS 20 -20.568 13.801 -15.993 167 HE3 LYS 20 3HE LYS 20 -21.136 12.794 -14.661 168 HZ1 LYS 20 3HZ LYS 20 -21.423 15.173 -14.231 169 HZ2 LYS 20 1HZ LYS 20 -19.751 15.402 -14.346 170 HZ3 LYS 20 2HZ LYS 20 -20.391 14.452 -13.102 171 H MET 21 H MET 21 -19.364 7.558 -14.466 172 HA MET 21 HA MET 21 -18.807 7.516 -17.202 173 HB2 MET 21 2HB MET 21 -17.464 6.150 -15.840 174 HB3 MET 21 3HB MET 21 -18.854 5.374 -15.093 175 HG2 MET 21 2HG MET 21 -19.356 4.266 -17.227 176 HG3 MET 21 3HG MET 21 -17.919 5.005 -17.928 177 HE1 MET 21 3HE MET 21 -16.509 2.233 -18.385 178 HE2 MET 21 1HE MET 21 -17.537 1.131 -17.469 179 HE3 MET 21 2HE MET 21 -18.263 2.408 -18.445 180 H LYS 22 H LYS 22 -20.979 5.210 -15.567 181 HA LYS 22 HA LYS 22 -22.236 4.225 -17.808 182 HB2 LYS 22 2HB LYS 22 -22.455 3.388 -15.439 183 HB3 LYS 22 3HB LYS 22 -23.613 4.682 -15.160 184 HG2 LYS 22 2HG LYS 22 -25.251 3.471 -16.023 185 HG3 LYS 22 3HG LYS 22 -24.341 3.223 -17.515 186 HD2 LYS 22 2HD LYS 22 -23.036 1.479 -16.033 187 HD3 LYS 22 3HD LYS 22 -24.527 1.503 -15.088 188 HE2 LYS 22 2HE LYS 22 -25.605 0.282 -16.609 189 HE3 LYS 22 3HE LYS 22 -25.064 1.323 -17.926 190 HZ1 LYS 22 3HZ LYS 22 -23.458 -0.859 -16.709 191 HZ2 LYS 22 1HZ LYS 22 -22.997 0.108 -18.018 192 HZ3 LYS 22 2HZ LYS 22 -24.292 -0.968 -18.176 193 H ASN 23 H ASN 23 -22.790 7.239 -16.143 194 HA ASN 23 HA ASN 23 -25.301 7.837 -17.338 195 HB2 ASN 23 2HB ASN 23 -24.434 8.898 -15.245 196 HB3 ASN 23 3HB ASN 23 -23.266 9.779 -16.226 197 HD21 ASN 23 1HD2 ASN 23 -26.116 10.059 -14.705 198 HD22 ASN 23 2HD2 ASN 23 -26.851 11.303 -15.652 199 H SER 24 H SER 24 -22.016 9.068 -17.982 200 HA SER 24 HA SER 24 -21.078 10.012 -19.828 201 HB2 SER 24 2HB SER 24 -22.642 7.769 -20.739 202 HB3 SER 24 3HB SER 24 -22.642 9.039 -21.963 203 HG SER 24 HG SER 24 -20.478 8.904 -22.128 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.647 0.721 0.740 2 HA2 GLY 1 2HA GLY 1 2.878 -0.185 -1.421 3 HA3 GLY 1 3HA GLY 1 1.332 -0.842 -0.905 4 H ARG 2 H ARG 2 2.940 1.116 -3.161 5 HA ARG 2 HA ARG 2 0.945 2.860 -4.017 6 HB2 ARG 2 2HB ARG 2 2.141 2.951 -6.138 7 HB3 ARG 2 3HB ARG 2 3.275 2.963 -4.795 8 HG2 ARG 2 2HG ARG 2 2.694 0.286 -5.793 9 HG3 ARG 2 3HG ARG 2 3.421 1.351 -6.998 10 HD2 ARG 2 2HD ARG 2 4.508 0.752 -4.249 11 HD3 ARG 2 3HD ARG 2 5.138 0.136 -5.776 12 HE ARG 2 HE ARG 2 5.181 2.881 -5.997 13 HH11 ARG 2 1HH1 ARG 2 6.585 0.487 -3.895 14 HH12 ARG 2 2HH1 ARG 2 8.001 1.426 -3.556 15 HH21 ARG 2 1HH2 ARG 2 7.041 4.127 -5.559 16 HH22 ARG 2 2HH2 ARG 2 8.259 3.497 -4.503 17 H GLY 3 H GLY 3 1.207 -0.561 -4.359 18 HA2 GLY 3 2HA GLY 3 -0.985 -0.562 -6.333 19 HA3 GLY 3 3HA GLY 3 0.137 -1.890 -6.081 20 H ARG 4 H ARG 4 -0.040 -1.662 -3.150 21 HA ARG 4 HA ARG 4 -2.239 -3.431 -2.770 22 HB2 ARG 4 2HB ARG 4 -0.519 -2.047 -0.704 23 HB3 ARG 4 3HB ARG 4 -1.578 -3.420 -0.412 24 HG2 ARG 4 2HG ARG 4 -0.087 -4.486 -2.332 25 HG3 ARG 4 3HG ARG 4 1.076 -3.310 -1.716 26 HD2 ARG 4 2HD ARG 4 -0.354 -5.427 -0.113 27 HD3 ARG 4 3HD ARG 4 1.342 -5.448 -0.592 28 HE ARG 4 HE ARG 4 0.815 -3.098 0.859 29 HH11 ARG 4 1HH1 ARG 4 1.083 -6.539 1.312 30 HH12 ARG 4 2HH1 ARG 4 1.593 -6.413 2.964 31 HH21 ARG 4 1HH2 ARG 4 1.486 -2.919 3.031 32 HH22 ARG 4 2HH2 ARG 4 1.821 -4.354 3.941 33 H GLU 5 H GLU 5 -1.663 -0.025 -2.098 34 HA GLU 5 HA GLU 5 -4.234 0.258 -0.771 35 HB2 GLU 5 2HB GLU 5 -2.073 1.482 -0.113 36 HB3 GLU 5 3HB GLU 5 -2.368 2.501 -1.515 37 HG2 GLU 5 2HG GLU 5 -3.981 3.651 -0.490 38 HG3 GLU 5 3HG GLU 5 -4.687 2.207 0.234 39 H PHE 6 H PHE 6 -3.166 0.165 -3.906 40 HA PHE 6 HA PHE 6 -5.052 2.155 -4.908 41 HB2 PHE 6 2HB PHE 6 -2.831 2.103 -5.931 42 HB3 PHE 6 3HB PHE 6 -3.056 0.412 -6.368 43 HD1 PHE 6 HD2 PHE 6 -4.843 3.663 -6.795 44 HD2 PHE 6 HD1 PHE 6 -3.614 -0.018 -8.543 45 HE1 PHE 6 HE2 PHE 6 -5.835 4.353 -8.937 46 HE2 PHE 6 HE1 PHE 6 -4.604 0.667 -10.689 47 HZ PHE 6 HZ PHE 6 -5.717 2.855 -10.888 48 H MET 7 H MET 7 -4.469 -1.327 -4.973 49 HA MET 7 HA MET 7 -6.480 -2.079 -6.748 50 HB2 MET 7 2HB MET 7 -6.422 -4.278 -5.557 51 HB3 MET 7 3HB MET 7 -4.842 -3.685 -6.052 52 HG2 MET 7 2HG MET 7 -4.545 -2.810 -3.725 53 HG3 MET 7 3HG MET 7 -6.025 -3.663 -3.291 54 HE1 MET 7 3HE MET 7 -6.349 -6.139 -3.238 55 HE2 MET 7 1HE MET 7 -5.028 -7.153 -2.656 56 HE3 MET 7 2HE MET 7 -5.493 -5.709 -1.756 57 H SER 8 H SER 8 -6.612 -1.680 -3.221 58 HA SER 8 HA SER 8 -9.341 -2.407 -2.974 59 HB2 SER 8 2HB SER 8 -7.747 -2.458 -1.080 60 HB3 SER 8 3HB SER 8 -7.662 -0.697 -1.122 61 HG SER 8 HG SER 8 -9.440 -0.638 -0.021 62 H ASN 9 H ASN 9 -7.718 0.763 -2.997 63 HA ASN 9 HA ASN 9 -9.997 2.350 -2.768 64 HB2 ASN 9 2HB ASN 9 -7.730 3.242 -2.518 65 HB3 ASN 9 3HB ASN 9 -7.416 2.958 -4.227 66 HD21 ASN 9 1HD2 ASN 9 -7.383 4.800 -5.276 67 HD22 ASN 9 2HD2 ASN 9 -8.472 6.122 -5.053 68 H LEU 10 H LEU 10 -8.511 0.873 -5.593 69 HA LEU 10 HA LEU 10 -9.766 2.184 -7.654 70 HB2 LEU 10 2HB LEU 10 -8.064 0.343 -7.810 71 HB3 LEU 10 3HB LEU 10 -9.378 -0.800 -7.542 72 HG LEU 10 HG LEU 10 -10.341 0.592 -9.659 73 HD11 LEU 10 1HD1 LEU 10 -7.343 0.617 -9.840 74 HD12 LEU 10 2HD1 LEU 10 -8.468 1.955 -10.069 75 HD13 LEU 10 3HD1 LEU 10 -8.381 0.662 -11.266 76 HD21 LEU 10 3HD2 LEU 10 -9.787 -1.955 -9.142 77 HD22 LEU 10 1HD2 LEU 10 -8.477 -1.630 -10.277 78 HD23 LEU 10 2HD2 LEU 10 -10.152 -1.383 -10.771 79 H LYS 11 H LYS 11 -10.958 -0.873 -6.247 80 HA LYS 11 HA LYS 11 -13.454 -0.846 -7.478 81 HB2 LYS 11 2HB LYS 11 -12.109 -2.454 -5.597 82 HB3 LYS 11 3HB LYS 11 -13.636 -2.009 -4.847 83 HG2 LYS 11 2HG LYS 11 -14.668 -3.556 -6.039 84 HG3 LYS 11 3HG LYS 11 -14.183 -2.738 -7.526 85 HD2 LYS 11 2HD LYS 11 -13.430 -5.038 -7.573 86 HD3 LYS 11 3HD LYS 11 -12.038 -3.958 -7.463 87 HE2 LYS 11 2HE LYS 11 -11.447 -4.732 -5.438 88 HE3 LYS 11 3HE LYS 11 -13.116 -4.819 -4.876 89 HZ1 LYS 11 3HZ LYS 11 -11.528 -6.936 -5.535 90 HZ2 LYS 11 1HZ LYS 11 -12.543 -6.775 -6.879 91 HZ3 LYS 11 2HZ LYS 11 -13.207 -6.977 -5.337 92 H GLU 12 H GLU 12 -12.346 0.725 -4.546 93 HA GLU 12 HA GLU 12 -14.877 1.435 -3.515 94 HB2 GLU 12 2HB GLU 12 -12.141 2.655 -3.151 95 HB3 GLU 12 3HB GLU 12 -13.564 3.218 -2.286 96 HG2 GLU 12 2HG GLU 12 -13.839 1.012 -1.287 97 HG3 GLU 12 3HG GLU 12 -12.422 0.436 -2.163 98 H LYS 13 H LYS 13 -12.835 2.832 -5.968 99 HA LYS 13 HA LYS 13 -14.428 5.263 -6.112 100 HB2 LYS 13 2HB LYS 13 -11.792 4.797 -6.583 101 HB3 LYS 13 3HB LYS 13 -12.434 4.719 -8.219 102 HG2 LYS 13 2HG LYS 13 -13.010 6.927 -8.250 103 HG3 LYS 13 3HG LYS 13 -13.239 7.006 -6.502 104 HD2 LYS 13 2HD LYS 13 -11.238 7.989 -6.408 105 HD3 LYS 13 3HD LYS 13 -10.550 6.410 -6.796 106 HE2 LYS 13 2HE LYS 13 -9.674 7.405 -8.594 107 HE3 LYS 13 3HE LYS 13 -11.308 7.379 -9.257 108 HZ1 LYS 13 3HZ LYS 13 -9.787 9.608 -8.151 109 HZ2 LYS 13 1HZ LYS 13 -11.450 9.594 -7.843 110 HZ3 LYS 13 2HZ LYS 13 -10.886 9.580 -9.437 111 H LEU 14 H LEU 14 -13.806 2.344 -7.996 112 HA LEU 14 HA LEU 14 -15.138 2.970 -10.339 113 HB2 LEU 14 2HB LEU 14 -14.982 0.327 -8.899 114 HB3 LEU 14 3HB LEU 14 -15.530 0.529 -10.562 115 HG LEU 14 HG LEU 14 -12.798 1.450 -9.756 116 HD11 LEU 14 1HD1 LEU 14 -12.496 -1.063 -10.911 117 HD12 LEU 14 2HD1 LEU 14 -13.751 -1.273 -9.690 118 HD13 LEU 14 3HD1 LEU 14 -12.178 -0.617 -9.234 119 HD21 LEU 14 3HD2 LEU 14 -13.861 0.317 -12.339 120 HD22 LEU 14 1HD2 LEU 14 -12.302 1.096 -12.072 121 HD23 LEU 14 2HD2 LEU 14 -13.788 2.039 -11.964 122 H SER 15 H SER 15 -16.425 2.088 -7.214 123 HA SER 15 HA SER 15 -19.056 1.465 -8.019 124 HB2 SER 15 2HB SER 15 -18.744 0.771 -5.861 125 HB3 SER 15 3HB SER 15 -17.706 2.138 -5.459 126 HG SER 15 HG SER 15 -20.445 1.874 -5.257 127 H GLY 16 H GLY 16 -17.382 4.462 -7.621 128 HA2 GLY 16 2HA GLY 16 -19.917 5.954 -7.775 129 HA3 GLY 16 3HA GLY 16 -18.378 6.621 -7.252 130 H VAL 17 H VAL 17 -16.837 5.478 -9.410 131 HA VAL 17 HA VAL 17 -16.903 7.532 -11.258 132 HB VAL 17 HB VAL 17 -15.128 5.662 -10.871 133 HG11 VAL 17 1HG1 VAL 17 -16.417 4.473 -13.301 134 HG12 VAL 17 2HG1 VAL 17 -15.183 3.784 -12.245 135 HG13 VAL 17 3HG1 VAL 17 -16.849 3.922 -11.683 136 HG21 VAL 17 3HG2 VAL 17 -15.756 7.319 -13.205 137 HG22 VAL 17 1HG2 VAL 17 -14.257 7.169 -12.287 138 HG23 VAL 17 2HG2 VAL 17 -14.650 5.985 -13.534 139 H LYS 18 H LYS 18 -18.799 4.617 -11.135 140 HA LYS 18 HA LYS 18 -19.671 4.566 -13.820 141 HB2 LYS 18 2HB LYS 18 -21.596 3.219 -12.868 142 HB3 LYS 18 3HB LYS 18 -19.984 2.596 -12.542 143 HG2 LYS 18 2HG LYS 18 -20.315 2.695 -10.354 144 HG3 LYS 18 3HG LYS 18 -20.819 4.384 -10.449 145 HD2 LYS 18 2HD LYS 18 -22.655 2.118 -11.180 146 HD3 LYS 18 3HD LYS 18 -22.513 2.717 -9.526 147 HE2 LYS 18 2HE LYS 18 -23.063 4.997 -10.397 148 HE3 LYS 18 3HE LYS 18 -23.392 4.258 -11.963 149 HZ1 LYS 18 3HZ LYS 18 -25.013 2.795 -10.708 150 HZ2 LYS 18 1HZ LYS 18 -25.455 4.416 -10.907 151 HZ3 LYS 18 2HZ LYS 18 -24.853 3.879 -9.420 152 H GLU 19 H GLU 19 -20.736 6.339 -11.001 153 HA GLU 19 HA GLU 19 -23.270 7.128 -11.667 154 HB2 GLU 19 2HB GLU 19 -22.393 7.835 -9.584 155 HB3 GLU 19 3HB GLU 19 -21.037 8.655 -10.345 156 HG2 GLU 19 2HG GLU 19 -22.182 10.541 -10.585 157 HG3 GLU 19 3HG GLU 19 -23.587 9.701 -11.239 158 H LYS 20 H LYS 20 -20.224 8.460 -12.873 159 HA LYS 20 HA LYS 20 -21.728 10.152 -14.743 160 HB2 LYS 20 2HB LYS 20 -18.782 10.223 -14.068 161 HB3 LYS 20 3HB LYS 20 -19.648 11.379 -15.071 162 HG2 LYS 20 2HG LYS 20 -20.863 11.109 -12.460 163 HG3 LYS 20 3HG LYS 20 -19.163 11.573 -12.354 164 HD2 LYS 20 2HD LYS 20 -19.523 13.602 -13.289 165 HD3 LYS 20 3HD LYS 20 -20.766 12.994 -14.385 166 HE2 LYS 20 2HE LYS 20 -22.201 12.760 -12.247 167 HE3 LYS 20 3HE LYS 20 -21.020 13.851 -11.524 168 HZ1 LYS 20 3HZ LYS 20 -22.382 15.418 -12.335 169 HZ2 LYS 20 1HZ LYS 20 -23.080 14.393 -13.486 170 HZ3 LYS 20 2HZ LYS 20 -21.589 15.127 -13.800 171 H MET 21 H MET 21 -19.236 7.660 -14.580 172 HA MET 21 HA MET 21 -18.556 7.573 -17.293 173 HB2 MET 21 2HB MET 21 -17.163 6.412 -15.766 174 HB3 MET 21 3HB MET 21 -18.509 5.480 -15.126 175 HG2 MET 21 2HG MET 21 -18.705 4.333 -17.299 176 HG3 MET 21 3HG MET 21 -17.291 5.220 -17.864 177 HE1 MET 21 3HE MET 21 -15.508 3.234 -18.324 178 HE2 MET 21 1HE MET 21 -15.754 1.705 -17.480 179 HE3 MET 21 2HE MET 21 -17.085 2.444 -18.370 180 H LYS 22 H LYS 22 -20.476 5.046 -15.684 181 HA LYS 22 HA LYS 22 -21.577 3.927 -17.942 182 HB2 LYS 22 2HB LYS 22 -21.960 3.713 -15.143 183 HB3 LYS 22 3HB LYS 22 -23.553 3.892 -15.865 184 HG2 LYS 22 2HG LYS 22 -21.950 2.018 -17.357 185 HG3 LYS 22 3HG LYS 22 -22.052 1.562 -15.655 186 HD2 LYS 22 2HD LYS 22 -24.375 1.383 -15.718 187 HD3 LYS 22 3HD LYS 22 -24.505 2.361 -17.182 188 HE2 LYS 22 2HE LYS 22 -24.799 0.327 -18.134 189 HE3 LYS 22 3HE LYS 22 -23.037 0.349 -18.147 190 HZ1 LYS 22 3HZ LYS 22 -23.603 -1.708 -17.245 191 HZ2 LYS 22 1HZ LYS 22 -24.839 -1.069 -16.283 192 HZ3 LYS 22 2HZ LYS 22 -23.222 -0.771 -15.889 193 H ASN 23 H ASN 23 -22.485 6.865 -16.313 194 HA ASN 23 HA ASN 23 -25.051 7.154 -17.507 195 HB2 ASN 23 2HB ASN 23 -24.297 8.335 -15.429 196 HB3 ASN 23 3HB ASN 23 -23.255 9.338 -16.434 197 HD21 ASN 23 1HD2 ASN 23 -26.357 8.899 -15.173 198 HD22 ASN 23 2HD2 ASN 23 -27.149 10.182 -16.017 199 H SER 24 H SER 24 -21.922 8.726 -18.182 200 HA SER 24 HA SER 24 -22.783 10.106 -20.476 201 HB2 SER 24 2HB SER 24 -20.591 10.786 -20.708 202 HB3 SER 24 3HB SER 24 -20.577 10.289 -19.016 203 HG SER 24 HG SER 24 -19.047 8.984 -19.597 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.986 0.943 0.748 2 HA2 GLY 1 2HA GLY 1 2.183 -0.406 -1.032 3 HA3 GLY 1 3HA GLY 1 0.742 -0.045 -0.093 4 H ARG 2 H ARG 2 2.732 1.405 -2.670 5 HA ARG 2 HA ARG 2 0.786 3.111 -3.698 6 HB2 ARG 2 2HB ARG 2 2.128 3.175 -5.732 7 HB3 ARG 2 3HB ARG 2 3.165 3.224 -4.312 8 HG2 ARG 2 2HG ARG 2 2.681 0.523 -5.296 9 HG3 ARG 2 3HG ARG 2 3.481 1.573 -6.468 10 HD2 ARG 2 2HD ARG 2 4.376 1.038 -3.637 11 HD3 ARG 2 3HD ARG 2 5.118 0.400 -5.104 12 HE ARG 2 HE ARG 2 5.501 2.996 -3.971 13 HH11 ARG 2 1HH1 ARG 2 5.474 1.192 -6.948 14 HH12 ARG 2 2HH1 ARG 2 6.544 2.279 -7.769 15 HH21 ARG 2 1HH2 ARG 2 6.911 4.435 -5.041 16 HH22 ARG 2 2HH2 ARG 2 7.362 4.123 -6.683 17 H GLY 3 H GLY 3 1.104 -0.313 -3.953 18 HA2 GLY 3 2HA GLY 3 -0.942 -0.376 -6.077 19 HA3 GLY 3 3HA GLY 3 0.173 -1.687 -5.719 20 H ARG 4 H ARG 4 -0.219 -1.392 -2.811 21 HA ARG 4 HA ARG 4 -2.418 -3.184 -2.550 22 HB2 ARG 4 2HB ARG 4 -0.871 -1.727 -0.398 23 HB3 ARG 4 3HB ARG 4 -1.933 -3.107 -0.150 24 HG2 ARG 4 2HG ARG 4 -0.292 -4.199 -1.929 25 HG3 ARG 4 3HG ARG 4 0.808 -2.992 -1.260 26 HD2 ARG 4 2HD ARG 4 1.213 -4.716 0.179 27 HD3 ARG 4 3HD ARG 4 -0.118 -3.930 1.027 28 HE ARG 4 HE ARG 4 -1.402 -5.781 0.638 29 HH11 ARG 4 1HH1 ARG 4 1.337 -5.832 -1.511 30 HH12 ARG 4 2HH1 ARG 4 1.001 -7.423 -2.111 31 HH21 ARG 4 1HH2 ARG 4 -1.854 -7.875 -0.145 32 HH22 ARG 4 2HH2 ARG 4 -0.815 -8.583 -1.334 33 H GLU 5 H GLU 5 -1.935 0.244 -1.912 34 HA GLU 5 HA GLU 5 -4.574 0.535 -0.750 35 HB2 GLU 5 2HB GLU 5 -2.461 1.850 -0.087 36 HB3 GLU 5 3HB GLU 5 -2.748 2.790 -1.545 37 HG2 GLU 5 2HG GLU 5 -4.957 3.414 -0.708 38 HG3 GLU 5 3HG GLU 5 -4.664 2.476 0.756 39 H PHE 6 H PHE 6 -3.282 0.425 -3.841 40 HA PHE 6 HA PHE 6 -5.182 2.276 -5.027 41 HB2 PHE 6 2HB PHE 6 -2.671 1.189 -5.792 42 HB3 PHE 6 3HB PHE 6 -3.853 0.679 -6.992 43 HD1 PHE 6 HD2 PHE 6 -4.991 2.299 -8.387 44 HD2 PHE 6 HD1 PHE 6 -2.106 3.515 -5.503 45 HE1 PHE 6 HE2 PHE 6 -4.863 4.513 -9.453 46 HE2 PHE 6 HE1 PHE 6 -1.975 5.731 -6.564 47 HZ PHE 6 HZ PHE 6 -3.353 6.232 -8.543 48 H MET 7 H MET 7 -4.550 -1.208 -4.955 49 HA MET 7 HA MET 7 -6.545 -2.031 -6.720 50 HB2 MET 7 2HB MET 7 -6.447 -4.205 -5.488 51 HB3 MET 7 3HB MET 7 -4.876 -3.592 -5.990 52 HG2 MET 7 2HG MET 7 -4.601 -2.670 -3.679 53 HG3 MET 7 3HG MET 7 -6.068 -3.538 -3.233 54 HE1 MET 7 3HE MET 7 -5.066 -6.845 -2.314 55 HE2 MET 7 1HE MET 7 -6.275 -5.573 -2.493 56 HE3 MET 7 2HE MET 7 -5.944 -6.669 -3.834 57 H SER 8 H SER 8 -6.685 -1.558 -3.203 58 HA SER 8 HA SER 8 -9.404 -2.327 -2.945 59 HB2 SER 8 2HB SER 8 -7.809 -2.327 -1.051 60 HB3 SER 8 3HB SER 8 -7.754 -0.566 -1.116 61 HG SER 8 HG SER 8 -9.619 -2.203 -0.002 62 H ASN 9 H ASN 9 -7.813 0.852 -3.075 63 HA ASN 9 HA ASN 9 -10.116 2.420 -2.849 64 HB2 ASN 9 2HB ASN 9 -7.846 3.331 -2.626 65 HB3 ASN 9 3HB ASN 9 -7.555 3.041 -4.338 66 HD21 ASN 9 1HD2 ASN 9 -7.685 4.798 -5.510 67 HD22 ASN 9 2HD2 ASN 9 -8.739 6.139 -5.233 68 H LEU 10 H LEU 10 -8.670 0.829 -5.617 69 HA LEU 10 HA LEU 10 -9.874 2.091 -7.735 70 HB2 LEU 10 2HB LEU 10 -8.254 0.246 -7.918 71 HB3 LEU 10 3HB LEU 10 -9.506 -0.884 -7.407 72 HG LEU 10 HG LEU 10 -8.922 -0.700 -9.915 73 HD11 LEU 10 1HD1 LEU 10 -11.086 -1.398 -10.496 74 HD12 LEU 10 2HD1 LEU 10 -11.833 -0.426 -9.229 75 HD13 LEU 10 3HD1 LEU 10 -10.894 -1.858 -8.804 76 HD21 LEU 10 3HD2 LEU 10 -9.061 1.790 -9.933 77 HD22 LEU 10 1HD2 LEU 10 -10.802 1.644 -9.691 78 HD23 LEU 10 2HD2 LEU 10 -10.059 1.000 -11.155 79 H LYS 11 H LYS 11 -11.189 -0.880 -6.259 80 HA LYS 11 HA LYS 11 -13.687 -0.765 -7.475 81 HB2 LYS 11 2HB LYS 11 -14.444 -2.248 -5.620 82 HB3 LYS 11 3HB LYS 11 -12.953 -2.780 -6.386 83 HG2 LYS 11 2HG LYS 11 -11.644 -1.992 -4.554 84 HG3 LYS 11 3HG LYS 11 -13.044 -1.198 -3.829 85 HD2 LYS 11 2HD LYS 11 -13.274 -3.069 -2.623 86 HD3 LYS 11 3HD LYS 11 -13.893 -3.798 -4.107 87 HE2 LYS 11 2HE LYS 11 -11.859 -4.817 -4.599 88 HE3 LYS 11 3HE LYS 11 -10.951 -3.730 -3.548 89 HZ1 LYS 11 3HZ LYS 11 -12.954 -5.537 -2.378 90 HZ2 LYS 11 1HZ LYS 11 -11.559 -4.885 -1.677 91 HZ3 LYS 11 2HZ LYS 11 -11.433 -6.146 -2.797 92 H GLU 12 H GLU 12 -12.502 0.811 -4.575 93 HA GLU 12 HA GLU 12 -14.992 1.645 -3.544 94 HB2 GLU 12 2HB GLU 12 -12.217 2.795 -3.233 95 HB3 GLU 12 3HB GLU 12 -13.616 3.383 -2.345 96 HG2 GLU 12 2HG GLU 12 -13.900 1.219 -1.300 97 HG3 GLU 12 3HG GLU 12 -12.559 0.567 -2.239 98 H LYS 13 H LYS 13 -12.916 2.911 -6.040 99 HA LYS 13 HA LYS 13 -14.348 5.425 -6.210 100 HB2 LYS 13 2HB LYS 13 -11.797 4.734 -6.821 101 HB3 LYS 13 3HB LYS 13 -12.542 4.638 -8.411 102 HG2 LYS 13 2HG LYS 13 -13.359 6.945 -8.138 103 HG3 LYS 13 3HG LYS 13 -12.526 7.032 -6.584 104 HD2 LYS 13 2HD LYS 13 -10.547 7.403 -7.557 105 HD3 LYS 13 3HD LYS 13 -10.795 6.114 -8.737 106 HE2 LYS 13 2HE LYS 13 -11.676 7.523 -10.293 107 HE3 LYS 13 3HE LYS 13 -12.377 8.597 -9.083 108 HZ1 LYS 13 3HZ LYS 13 -10.475 9.794 -8.906 109 HZ2 LYS 13 1HZ LYS 13 -10.289 9.283 -10.508 110 HZ3 LYS 13 2HZ LYS 13 -9.463 8.486 -9.266 111 H LEU 14 H LEU 14 -14.084 2.411 -8.030 112 HA LEU 14 HA LEU 14 -15.490 3.048 -10.312 113 HB2 LEU 14 2HB LEU 14 -15.489 0.487 -8.727 114 HB3 LEU 14 3HB LEU 14 -16.181 0.644 -10.340 115 HG LEU 14 HG LEU 14 -13.278 0.898 -9.567 116 HD11 LEU 14 1HD1 LEU 14 -13.694 -1.362 -9.733 117 HD12 LEU 14 2HD1 LEU 14 -13.228 -0.962 -11.386 118 HD13 LEU 14 3HD1 LEU 14 -14.932 -1.153 -10.972 119 HD21 LEU 14 3HD2 LEU 14 -13.272 2.412 -11.253 120 HD22 LEU 14 1HD2 LEU 14 -14.757 1.786 -11.971 121 HD23 LEU 14 2HD2 LEU 14 -13.228 0.948 -12.238 122 H SER 15 H SER 15 -16.753 2.130 -7.139 123 HA SER 15 HA SER 15 -19.443 1.868 -7.769 124 HB2 SER 15 2HB SER 15 -19.778 1.751 -5.520 125 HB3 SER 15 3HB SER 15 -18.016 1.678 -5.477 126 HG SER 15 HG SER 15 -18.282 3.358 -4.219 127 H GLY 16 H GLY 16 -17.484 4.723 -7.493 128 HA2 GLY 16 2HA GLY 16 -19.863 6.444 -7.597 129 HA3 GLY 16 3HA GLY 16 -18.226 6.975 -7.237 130 H VAL 17 H VAL 17 -16.907 5.712 -9.397 131 HA VAL 17 HA VAL 17 -17.087 7.651 -11.375 132 HB VAL 17 HB VAL 17 -15.291 5.769 -10.918 133 HG11 VAL 17 1HG1 VAL 17 -17.000 4.022 -11.683 134 HG12 VAL 17 2HG1 VAL 17 -16.647 4.584 -13.318 135 HG13 VAL 17 3HG1 VAL 17 -15.361 3.901 -12.323 136 HG21 VAL 17 3HG2 VAL 17 -15.939 7.395 -13.280 137 HG22 VAL 17 1HG2 VAL 17 -14.451 7.299 -12.339 138 HG23 VAL 17 2HG2 VAL 17 -14.800 6.079 -13.564 139 H LYS 18 H LYS 18 -18.950 4.762 -10.916 140 HA LYS 18 HA LYS 18 -19.935 4.471 -13.552 141 HB2 LYS 18 2HB LYS 18 -20.559 3.383 -10.890 142 HB3 LYS 18 3HB LYS 18 -21.932 3.454 -11.986 143 HG2 LYS 18 2HG LYS 18 -20.955 1.992 -13.505 144 HG3 LYS 18 3HG LYS 18 -19.334 2.252 -12.858 145 HD2 LYS 18 2HD LYS 18 -19.632 0.776 -11.154 146 HD3 LYS 18 3HD LYS 18 -21.355 1.129 -11.005 147 HE2 LYS 18 2HE LYS 18 -21.386 -0.028 -13.403 148 HE3 LYS 18 3HE LYS 18 -19.948 -0.813 -12.752 149 HZ1 LYS 18 3HZ LYS 18 -22.466 -1.658 -12.350 150 HZ2 LYS 18 1HZ LYS 18 -22.197 -0.755 -10.944 151 HZ3 LYS 18 2HZ LYS 18 -21.160 -2.031 -11.342 152 H GLU 19 H GLU 19 -20.662 6.678 -11.023 153 HA GLU 19 HA GLU 19 -23.323 7.325 -11.628 154 HB2 GLU 19 2HB GLU 19 -22.397 8.118 -9.581 155 HB3 GLU 19 3HB GLU 19 -21.085 8.939 -10.413 156 HG2 GLU 19 2HG GLU 19 -22.703 10.542 -9.631 157 HG3 GLU 19 3HG GLU 19 -22.696 10.503 -11.393 158 H LYS 20 H LYS 20 -20.273 8.628 -12.871 159 HA LYS 20 HA LYS 20 -21.756 10.257 -14.802 160 HB2 LYS 20 2HB LYS 20 -18.767 10.241 -14.474 161 HB3 LYS 20 3HB LYS 20 -19.793 11.516 -15.116 162 HG2 LYS 20 2HG LYS 20 -19.348 12.398 -13.075 163 HG3 LYS 20 3HG LYS 20 -20.782 11.454 -12.663 164 HD2 LYS 20 2HD LYS 20 -19.597 9.926 -11.466 165 HD3 LYS 20 3HD LYS 20 -18.170 10.067 -12.495 166 HE2 LYS 20 2HE LYS 20 -18.615 12.550 -11.149 167 HE3 LYS 20 3HE LYS 20 -18.628 11.242 -9.968 168 HZ1 LYS 20 3HZ LYS 20 -16.408 11.799 -10.108 169 HZ2 LYS 20 1HZ LYS 20 -16.457 12.078 -11.776 170 HZ3 LYS 20 2HZ LYS 20 -16.504 10.495 -11.182 171 H MET 21 H MET 21 -19.540 7.551 -14.581 172 HA MET 21 HA MET 21 -18.850 7.341 -17.294 173 HB2 MET 21 2HB MET 21 -17.563 6.087 -15.762 174 HB3 MET 21 3HB MET 21 -18.986 5.333 -15.056 175 HG2 MET 21 2HG MET 21 -19.352 4.099 -17.144 176 HG3 MET 21 3HG MET 21 -17.896 4.830 -17.814 177 HE1 MET 21 3HE MET 21 -15.924 2.418 -17.903 178 HE2 MET 21 1HE MET 21 -17.089 1.178 -17.439 179 HE3 MET 21 2HE MET 21 -17.595 2.525 -18.459 180 H LYS 22 H LYS 22 -21.033 5.096 -15.598 181 HA LYS 22 HA LYS 22 -22.232 4.007 -17.826 182 HB2 LYS 22 2HB LYS 22 -22.462 3.505 -15.233 183 HB3 LYS 22 3HB LYS 22 -23.920 4.474 -15.409 184 HG2 LYS 22 2HG LYS 22 -24.695 2.325 -15.727 185 HG3 LYS 22 3HG LYS 22 -24.451 2.891 -17.381 186 HD2 LYS 22 2HD LYS 22 -22.026 1.851 -16.913 187 HD3 LYS 22 3HD LYS 22 -22.987 0.834 -15.837 188 HE2 LYS 22 2HE LYS 22 -23.206 -0.397 -17.729 189 HE3 LYS 22 3HE LYS 22 -24.538 0.724 -18.004 190 HZ1 LYS 22 3HZ LYS 22 -23.544 1.222 -19.909 191 HZ2 LYS 22 1HZ LYS 22 -22.138 0.375 -19.497 192 HZ3 LYS 22 2HZ LYS 22 -22.326 1.986 -19.018 193 H ASN 23 H ASN 23 -22.822 7.082 -16.315 194 HA ASN 23 HA ASN 23 -25.347 7.583 -17.543 195 HB2 ASN 23 2HB ASN 23 -24.502 8.731 -15.475 196 HB3 ASN 23 3HB ASN 23 -23.369 9.615 -16.493 197 HD21 ASN 23 1HD2 ASN 23 -26.099 9.996 -14.898 198 HD22 ASN 23 2HD2 ASN 23 -26.926 11.125 -15.911 199 H SER 24 H SER 24 -22.065 8.811 -18.200 200 HA SER 24 HA SER 24 -22.699 10.274 -20.493 201 HB2 SER 24 2HB SER 24 -20.561 10.519 -19.321 202 HB3 SER 24 3HB SER 24 -20.098 8.886 -19.800 203 HG SER 24 HG SER 24 -19.208 10.485 -21.182 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.417 0.241 0.198 2 HA2 GLY 1 2HA GLY 1 2.720 -1.673 -1.882 3 HA3 GLY 1 3HA GLY 1 1.714 -1.199 -0.521 4 H ARG 2 H ARG 2 3.212 0.420 -3.328 5 HA ARG 2 HA ARG 2 1.297 2.428 -3.585 6 HB2 ARG 2 2HB ARG 2 2.158 2.756 -5.838 7 HB3 ARG 2 3HB ARG 2 3.481 2.465 -4.717 8 HG2 ARG 2 2HG ARG 2 2.380 0.111 -6.128 9 HG3 ARG 2 3HG ARG 2 3.303 1.270 -7.087 10 HD2 ARG 2 2HD ARG 2 4.692 0.807 -4.647 11 HD3 ARG 2 3HD ARG 2 4.265 -0.754 -5.348 12 HE ARG 2 HE ARG 2 5.696 -0.335 -7.110 13 HH11 ARG 2 1HH1 ARG 2 5.336 2.517 -5.146 14 HH12 ARG 2 2HH1 ARG 2 6.649 3.360 -5.899 15 HH21 ARG 2 1HH2 ARG 2 7.427 0.764 -8.110 16 HH22 ARG 2 2HH2 ARG 2 7.837 2.362 -7.585 17 H GLY 3 H GLY 3 1.153 -0.910 -4.431 18 HA2 GLY 3 2HA GLY 3 -1.229 -0.466 -6.098 19 HA3 GLY 3 3HA GLY 3 -0.295 -1.953 -6.025 20 H ARG 4 H ARG 4 -0.267 -1.577 -2.986 21 HA ARG 4 HA ARG 4 -2.469 -3.283 -2.451 22 HB2 ARG 4 2HB ARG 4 -0.731 -1.737 -0.520 23 HB3 ARG 4 3HB ARG 4 -1.803 -3.064 -0.097 24 HG2 ARG 4 2HG ARG 4 -0.346 -4.322 -1.921 25 HG3 ARG 4 3HG ARG 4 0.838 -3.107 -1.434 26 HD2 ARG 4 2HD ARG 4 -0.566 -5.101 0.337 27 HD3 ARG 4 3HD ARG 4 1.144 -5.077 -0.091 28 HE ARG 4 HE ARG 4 0.380 -2.657 1.177 29 HH11 ARG 4 1HH1 ARG 4 1.102 -6.003 1.815 30 HH12 ARG 4 2HH1 ARG 4 1.626 -5.715 3.441 31 HH21 ARG 4 1HH2 ARG 4 1.069 -2.266 3.317 32 HH22 ARG 4 2HH2 ARG 4 1.606 -3.589 4.294 33 H GLU 5 H GLU 5 -1.860 0.154 -1.866 34 HA GLU 5 HA GLU 5 -4.464 0.516 -0.647 35 HB2 GLU 5 2HB GLU 5 -2.264 1.756 -0.052 36 HB3 GLU 5 3HB GLU 5 -2.625 2.747 -1.458 37 HG2 GLU 5 2HG GLU 5 -4.602 3.576 -0.501 38 HG3 GLU 5 3HG GLU 5 -4.605 2.342 0.757 39 H PHE 6 H PHE 6 -3.349 0.263 -3.752 40 HA PHE 6 HA PHE 6 -5.205 2.220 -4.876 41 HB2 PHE 6 2HB PHE 6 -2.764 1.750 -5.697 42 HB3 PHE 6 3HB PHE 6 -3.505 0.389 -6.532 43 HD1 PHE 6 HD1 PHE 6 -3.300 4.038 -6.320 44 HD2 PHE 6 HD2 PHE 6 -4.972 0.726 -8.406 45 HE1 PHE 6 HE1 PHE 6 -3.966 5.535 -8.155 46 HE2 PHE 6 HE2 PHE 6 -5.640 2.217 -10.245 47 HZ PHE 6 HZ PHE 6 -5.136 4.625 -10.122 48 H MET 7 H MET 7 -4.596 -1.265 -4.841 49 HA MET 7 HA MET 7 -6.605 -2.065 -6.601 50 HB2 MET 7 2HB MET 7 -6.514 -4.246 -5.384 51 HB3 MET 7 3HB MET 7 -4.942 -3.640 -5.887 52 HG2 MET 7 2HG MET 7 -4.649 -2.737 -3.573 53 HG3 MET 7 3HG MET 7 -6.124 -3.591 -3.125 54 HE1 MET 7 3HE MET 7 -5.722 -5.273 -1.598 55 HE2 MET 7 1HE MET 7 -6.229 -6.365 -2.887 56 HE3 MET 7 2HE MET 7 -4.826 -6.764 -1.895 57 H SER 8 H SER 8 -6.722 -1.603 -3.082 58 HA SER 8 HA SER 8 -9.444 -2.358 -2.810 59 HB2 SER 8 2HB SER 8 -7.837 -2.371 -0.925 60 HB3 SER 8 3HB SER 8 -7.773 -0.610 -0.986 61 HG SER 8 HG SER 8 -9.760 -2.288 -0.024 62 H ASN 9 H ASN 9 -7.842 0.819 -2.910 63 HA ASN 9 HA ASN 9 -10.135 2.394 -2.678 64 HB2 ASN 9 2HB ASN 9 -7.866 3.300 -2.456 65 HB3 ASN 9 3HB ASN 9 -7.572 3.007 -4.167 66 HD21 ASN 9 1HD2 ASN 9 -7.668 4.776 -5.323 67 HD22 ASN 9 2HD2 ASN 9 -8.725 6.117 -5.058 68 H LEU 10 H LEU 10 -8.654 0.886 -5.489 69 HA LEU 10 HA LEU 10 -9.927 2.158 -7.563 70 HB2 LEU 10 2HB LEU 10 -8.218 0.326 -7.706 71 HB3 LEU 10 3HB LEU 10 -9.521 -0.822 -7.403 72 HG LEU 10 HG LEU 10 -10.581 0.361 -9.516 73 HD11 LEU 10 1HD1 LEU 10 -9.161 1.962 -10.240 74 HD12 LEU 10 2HD1 LEU 10 -8.405 0.595 -11.057 75 HD13 LEU 10 3HD1 LEU 10 -7.745 1.185 -9.532 76 HD21 LEU 10 3HD2 LEU 10 -8.712 -1.357 -10.692 77 HD22 LEU 10 1HD2 LEU 10 -10.339 -1.756 -10.139 78 HD23 LEU 10 2HD2 LEU 10 -8.963 -1.972 -9.057 79 H LYS 11 H LYS 11 -11.098 -0.883 -6.106 80 HA LYS 11 HA LYS 11 -13.600 -0.884 -7.323 81 HB2 LYS 11 2HB LYS 11 -12.241 -2.475 -5.460 82 HB3 LYS 11 3HB LYS 11 -13.728 -1.996 -4.653 83 HG2 LYS 11 2HG LYS 11 -14.383 -3.929 -5.689 84 HG3 LYS 11 3HG LYS 11 -14.844 -2.726 -6.896 85 HD2 LYS 11 2HD LYS 11 -13.449 -3.599 -8.399 86 HD3 LYS 11 3HD LYS 11 -12.103 -3.563 -7.257 87 HE2 LYS 11 2HE LYS 11 -12.660 -5.693 -6.393 88 HE3 LYS 11 3HE LYS 11 -14.235 -5.684 -7.186 89 HZ1 LYS 11 3HZ LYS 11 -12.896 -5.598 -9.336 90 HZ2 LYS 11 1HZ LYS 11 -12.931 -7.068 -8.499 91 HZ3 LYS 11 2HZ LYS 11 -11.569 -6.070 -8.398 92 H GLU 12 H GLU 12 -12.488 0.734 -4.417 93 HA GLU 12 HA GLU 12 -15.017 1.453 -3.391 94 HB2 GLU 12 2HB GLU 12 -12.283 2.685 -3.054 95 HB3 GLU 12 3HB GLU 12 -13.705 3.260 -2.195 96 HG2 GLU 12 2HG GLU 12 -13.975 1.070 -1.159 97 HG3 GLU 12 3HG GLU 12 -12.559 0.482 -2.028 98 H LYS 13 H LYS 13 -12.988 2.817 -5.872 99 HA LYS 13 HA LYS 13 -14.586 5.243 -6.048 100 HB2 LYS 13 2HB LYS 13 -11.952 4.774 -6.525 101 HB3 LYS 13 3HB LYS 13 -12.601 4.668 -8.156 102 HG2 LYS 13 2HG LYS 13 -12.893 6.870 -8.296 103 HG3 LYS 13 3HG LYS 13 -13.609 6.967 -6.686 104 HD2 LYS 13 2HD LYS 13 -11.641 7.486 -5.701 105 HD3 LYS 13 3HD LYS 13 -10.709 6.438 -6.772 106 HE2 LYS 13 2HE LYS 13 -10.281 8.101 -8.221 107 HE3 LYS 13 3HE LYS 13 -11.911 8.759 -8.096 108 HZ1 LYS 13 3HZ LYS 13 -9.862 9.119 -5.985 109 HZ2 LYS 13 1HZ LYS 13 -11.338 9.930 -6.145 110 HZ3 LYS 13 2HZ LYS 13 -10.088 10.224 -7.246 111 H LEU 14 H LEU 14 -13.971 2.294 -7.887 112 HA LEU 14 HA LEU 14 -15.312 2.878 -10.234 113 HB2 LEU 14 2HB LEU 14 -15.152 0.263 -8.745 114 HB3 LEU 14 3HB LEU 14 -15.713 0.433 -10.408 115 HG LEU 14 HG LEU 14 -12.971 1.357 -9.632 116 HD11 LEU 14 1HD1 LEU 14 -12.764 -1.197 -10.784 117 HD12 LEU 14 2HD1 LEU 14 -13.920 -1.337 -9.460 118 HD13 LEU 14 3HD1 LEU 14 -12.303 -0.701 -9.155 119 HD21 LEU 14 3HD2 LEU 14 -13.319 2.018 -11.784 120 HD22 LEU 14 1HD2 LEU 14 -14.467 0.720 -12.116 121 HD23 LEU 14 2HD2 LEU 14 -12.736 0.380 -12.086 122 H SER 15 H SER 15 -16.591 2.032 -7.092 123 HA SER 15 HA SER 15 -19.225 1.408 -7.875 124 HB2 SER 15 2HB SER 15 -18.693 0.751 -5.695 125 HB3 SER 15 3HB SER 15 -17.971 2.309 -5.298 126 HG SER 15 HG SER 15 -20.147 1.822 -4.422 127 H GLY 16 H GLY 16 -17.547 4.412 -7.526 128 HA2 GLY 16 2HA GLY 16 -20.080 5.904 -7.699 129 HA3 GLY 16 3HA GLY 16 -18.536 6.578 -7.200 130 H VAL 17 H VAL 17 -17.009 5.398 -9.343 131 HA VAL 17 HA VAL 17 -17.096 7.415 -11.233 132 HB VAL 17 HB VAL 17 -15.308 5.560 -10.812 133 HG11 VAL 17 1HG1 VAL 17 -17.031 3.806 -11.607 134 HG12 VAL 17 2HG1 VAL 17 -16.573 4.327 -13.229 135 HG13 VAL 17 3HG1 VAL 17 -15.357 3.657 -12.141 136 HG21 VAL 17 3HG2 VAL 17 -14.420 7.020 -12.259 137 HG22 VAL 17 1HG2 VAL 17 -14.870 5.850 -13.500 138 HG23 VAL 17 2HG2 VAL 17 -15.936 7.208 -13.141 139 H LYS 18 H LYS 18 -18.996 4.517 -11.018 140 HA LYS 18 HA LYS 18 -19.876 4.414 -13.711 141 HB2 LYS 18 2HB LYS 18 -20.644 3.152 -11.148 142 HB3 LYS 18 3HB LYS 18 -21.908 3.236 -12.368 143 HG2 LYS 18 2HG LYS 18 -20.711 1.907 -13.869 144 HG3 LYS 18 3HG LYS 18 -19.189 2.150 -13.008 145 HD2 LYS 18 2HD LYS 18 -20.043 0.845 -11.125 146 HD3 LYS 18 3HD LYS 18 -21.574 0.615 -11.973 147 HE2 LYS 18 2HE LYS 18 -20.516 -1.342 -12.508 148 HE3 LYS 18 3HE LYS 18 -20.004 -0.332 -13.860 149 HZ1 LYS 18 3HZ LYS 18 -17.887 -0.383 -13.190 150 HZ2 LYS 18 1HZ LYS 18 -18.344 -1.723 -12.264 151 HZ3 LYS 18 2HZ LYS 18 -18.277 -0.189 -11.555 152 H GLU 19 H GLU 19 -20.963 6.155 -10.875 153 HA GLU 19 HA GLU 19 -23.514 6.903 -11.623 154 HB2 GLU 19 2HB GLU 19 -22.769 7.477 -9.445 155 HB3 GLU 19 3HB GLU 19 -21.395 8.377 -10.071 156 HG2 GLU 19 2HG GLU 19 -22.715 10.178 -10.728 157 HG3 GLU 19 3HG GLU 19 -24.200 9.230 -10.666 158 H LYS 20 H LYS 20 -20.421 8.312 -12.580 159 HA LYS 20 HA LYS 20 -21.802 10.214 -14.326 160 HB2 LYS 20 2HB LYS 20 -20.082 11.227 -13.018 161 HB3 LYS 20 3HB LYS 20 -18.930 9.965 -13.434 162 HG2 LYS 20 2HG LYS 20 -18.260 11.077 -15.228 163 HG3 LYS 20 3HG LYS 20 -19.918 11.252 -15.810 164 HD2 LYS 20 2HD LYS 20 -19.014 12.982 -13.562 165 HD3 LYS 20 3HD LYS 20 -18.443 13.354 -15.190 166 HE2 LYS 20 2HE LYS 20 -20.827 13.326 -15.942 167 HE3 LYS 20 3HE LYS 20 -21.301 13.164 -14.251 168 HZ1 LYS 20 3HZ LYS 20 -20.365 15.487 -15.688 169 HZ2 LYS 20 1HZ LYS 20 -19.652 15.280 -14.168 170 HZ3 LYS 20 2HZ LYS 20 -21.334 15.387 -14.305 171 H MET 21 H MET 21 -19.481 7.549 -14.434 172 HA MET 21 HA MET 21 -18.874 7.631 -17.158 173 HB2 MET 21 2HB MET 21 -17.531 6.233 -15.827 174 HB3 MET 21 3HB MET 21 -18.920 5.403 -15.139 175 HG2 MET 21 2HG MET 21 -19.363 4.375 -17.327 176 HG3 MET 21 3HG MET 21 -17.927 5.168 -17.969 177 HE1 MET 21 3HE MET 21 -15.783 4.646 -17.751 178 HE2 MET 21 1HE MET 21 -15.314 4.485 -16.059 179 HE3 MET 21 2HE MET 21 -15.089 3.133 -17.168 180 H LYS 22 H LYS 22 -21.032 5.221 -15.661 181 HA LYS 22 HA LYS 22 -22.230 4.308 -17.964 182 HB2 LYS 22 2HB LYS 22 -22.576 3.913 -15.228 183 HB3 LYS 22 3HB LYS 22 -24.148 4.473 -15.785 184 HG2 LYS 22 2HG LYS 22 -24.541 2.605 -16.998 185 HG3 LYS 22 3HG LYS 22 -22.838 2.373 -17.401 186 HD2 LYS 22 2HD LYS 22 -23.405 0.590 -15.961 187 HD3 LYS 22 3HD LYS 22 -22.496 1.733 -14.971 188 HE2 LYS 22 2HE LYS 22 -24.444 2.513 -13.902 189 HE3 LYS 22 3HE LYS 22 -25.497 1.768 -15.104 190 HZ1 LYS 22 3HZ LYS 22 -23.759 -0.034 -13.625 191 HZ2 LYS 22 1HZ LYS 22 -25.368 -0.233 -14.109 192 HZ3 LYS 22 2HZ LYS 22 -25.005 0.687 -12.737 193 H ASN 23 H ASN 23 -22.869 7.241 -16.188 194 HA ASN 23 HA ASN 23 -25.369 7.844 -17.405 195 HB2 ASN 23 2HB ASN 23 -24.560 8.832 -15.254 196 HB3 ASN 23 3HB ASN 23 -23.390 9.773 -16.175 197 HD21 ASN 23 1HD2 ASN 23 -26.237 9.980 -14.672 198 HD22 ASN 23 2HD2 ASN 23 -26.990 11.234 -15.592 199 H SER 24 H SER 24 -22.095 9.157 -17.935 200 HA SER 24 HA SER 24 -22.975 10.015 -20.612 201 HB2 SER 24 2HB SER 24 -22.320 11.936 -19.347 202 HB3 SER 24 3HB SER 24 -20.855 11.138 -18.774 203 HG SER 24 HG SER 24 -19.927 11.405 -20.712 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.432 1.384 0.410 2 HA2 GLY 1 2HA GLY 1 3.053 -0.227 -1.231 3 HA3 GLY 1 3HA GLY 1 1.500 -0.581 -0.488 4 H ARG 2 H ARG 2 3.210 1.457 -2.747 5 HA ARG 2 HA ARG 2 1.187 3.244 -3.436 6 HB2 ARG 2 2HB ARG 2 2.382 3.554 -5.537 7 HB3 ARG 2 3HB ARG 2 3.515 3.461 -4.195 8 HG2 ARG 2 2HG ARG 2 2.953 0.898 -5.503 9 HG3 ARG 2 3HG ARG 2 3.757 2.096 -6.520 10 HD2 ARG 2 2HD ARG 2 4.819 1.796 -3.784 11 HD3 ARG 2 3HD ARG 2 5.056 0.418 -4.858 12 HE ARG 2 HE ARG 2 5.883 2.479 -6.373 13 HH11 ARG 2 1HH1 ARG 2 6.626 1.516 -3.111 14 HH12 ARG 2 2HH1 ARG 2 8.232 2.165 -3.146 15 HH21 ARG 2 1HH2 ARG 2 7.996 3.338 -6.432 16 HH22 ARG 2 2HH2 ARG 2 9.010 3.202 -5.035 17 H GLY 3 H GLY 3 1.502 -0.125 -4.092 18 HA2 GLY 3 2HA GLY 3 -0.645 0.014 -6.105 19 HA3 GLY 3 3HA GLY 3 0.457 -1.339 -5.893 20 H ARG 4 H ARG 4 0.206 -1.365 -2.991 21 HA ARG 4 HA ARG 4 -1.988 -3.130 -2.770 22 HB2 ARG 4 2HB ARG 4 -0.402 -1.772 -0.582 23 HB3 ARG 4 3HB ARG 4 -1.470 -3.152 -0.365 24 HG2 ARG 4 2HG ARG 4 0.126 -4.168 -2.239 25 HG3 ARG 4 3HG ARG 4 1.249 -3.016 -1.514 26 HD2 ARG 4 2HD ARG 4 1.634 -4.870 -0.215 27 HD3 ARG 4 3HD ARG 4 0.388 -4.055 0.730 28 HE ARG 4 HE ARG 4 -0.667 -5.943 -1.156 29 HH11 ARG 4 1HH1 ARG 4 0.668 -5.541 2.034 30 HH12 ARG 4 2HH1 ARG 4 -0.094 -6.960 2.673 31 HH21 ARG 4 1HH2 ARG 4 -1.675 -7.813 -0.327 32 HH22 ARG 4 2HH2 ARG 4 -1.425 -8.252 1.329 33 H GLU 5 H GLU 5 -1.531 0.253 -1.876 34 HA GLU 5 HA GLU 5 -4.169 0.433 -0.697 35 HB2 GLU 5 2HB GLU 5 -2.044 1.722 0.025 36 HB3 GLU 5 3HB GLU 5 -2.400 2.776 -1.337 37 HG2 GLU 5 2HG GLU 5 -3.351 3.818 0.530 38 HG3 GLU 5 3HG GLU 5 -4.699 3.079 -0.333 39 H PHE 6 H PHE 6 -2.981 0.437 -3.792 40 HA PHE 6 HA PHE 6 -4.890 2.384 -4.833 41 HB2 PHE 6 2HB PHE 6 -2.617 2.376 -5.766 42 HB3 PHE 6 3HB PHE 6 -2.825 0.702 -6.268 43 HD1 PHE 6 HD2 PHE 6 -4.087 4.140 -6.794 44 HD2 PHE 6 HD1 PHE 6 -3.835 0.172 -8.312 45 HE1 PHE 6 HE2 PHE 6 -5.015 4.906 -8.940 46 HE2 PHE 6 HE1 PHE 6 -4.762 0.931 -10.461 47 HZ PHE 6 HZ PHE 6 -5.355 3.301 -10.777 48 H MET 7 H MET 7 -4.158 -1.078 -5.062 49 HA MET 7 HA MET 7 -6.136 -1.828 -6.859 50 HB2 MET 7 2HB MET 7 -6.009 -4.073 -5.750 51 HB3 MET 7 3HB MET 7 -4.452 -3.406 -6.226 52 HG2 MET 7 2HG MET 7 -4.181 -2.608 -3.867 53 HG3 MET 7 3HG MET 7 -5.625 -3.533 -3.464 54 HE1 MET 7 3HE MET 7 -1.511 -4.307 -4.314 55 HE2 MET 7 1HE MET 7 -2.111 -5.376 -5.583 56 HE3 MET 7 2HE MET 7 -2.590 -3.679 -5.560 57 H SER 8 H SER 8 -6.312 -1.605 -3.317 58 HA SER 8 HA SER 8 -9.008 -2.442 -3.123 59 HB2 SER 8 2HB SER 8 -7.434 -2.497 -1.216 60 HB3 SER 8 3HB SER 8 -7.413 -0.733 -1.197 61 HG SER 8 HG SER 8 -9.673 -2.397 -0.764 62 H ASN 9 H ASN 9 -7.529 0.796 -2.997 63 HA ASN 9 HA ASN 9 -9.870 2.276 -2.732 64 HB2 ASN 9 2HB ASN 9 -7.651 3.261 -2.446 65 HB3 ASN 9 3HB ASN 9 -7.310 3.033 -4.159 66 HD21 ASN 9 1HD2 ASN 9 -7.404 4.861 -5.224 67 HD22 ASN 9 2HD2 ASN 9 -8.526 6.147 -4.954 68 H LEU 10 H LEU 10 -8.310 0.980 -5.611 69 HA LEU 10 HA LEU 10 -9.636 2.302 -7.620 70 HB2 LEU 10 2HB LEU 10 -7.838 0.564 -7.849 71 HB3 LEU 10 3HB LEU 10 -9.087 -0.659 -7.625 72 HG LEU 10 HG LEU 10 -10.123 0.772 -9.688 73 HD11 LEU 10 1HD1 LEU 10 -8.078 2.163 -9.790 74 HD12 LEU 10 2HD1 LEU 10 -8.383 1.259 -11.273 75 HD13 LEU 10 3HD1 LEU 10 -7.145 0.709 -10.144 76 HD21 LEU 10 3HD2 LEU 10 -9.725 -1.117 -10.964 77 HD22 LEU 10 1HD2 LEU 10 -9.617 -1.743 -9.319 78 HD23 LEU 10 2HD2 LEU 10 -8.146 -1.406 -10.232 79 H LYS 11 H LYS 11 -10.661 -0.865 -6.331 80 HA LYS 11 HA LYS 11 -13.156 -0.924 -7.565 81 HB2 LYS 11 2HB LYS 11 -11.843 -2.746 -6.217 82 HB3 LYS 11 3HB LYS 11 -12.761 -2.131 -4.850 83 HG2 LYS 11 2HG LYS 11 -14.660 -2.491 -6.837 84 HG3 LYS 11 3HG LYS 11 -13.586 -3.884 -6.992 85 HD2 LYS 11 2HD LYS 11 -14.822 -4.776 -5.348 86 HD3 LYS 11 3HD LYS 11 -13.906 -3.707 -4.282 87 HE2 LYS 11 2HE LYS 11 -15.714 -1.964 -4.810 88 HE3 LYS 11 3HE LYS 11 -16.654 -3.321 -5.428 89 HZ1 LYS 11 3HZ LYS 11 -16.985 -2.649 -3.008 90 HZ2 LYS 11 1HZ LYS 11 -15.486 -3.378 -2.716 91 HZ3 LYS 11 2HZ LYS 11 -16.766 -4.295 -3.334 92 H GLU 12 H GLU 12 -12.132 0.591 -4.574 93 HA GLU 12 HA GLU 12 -14.697 1.125 -3.521 94 HB2 GLU 12 2HB GLU 12 -12.030 2.473 -3.104 95 HB3 GLU 12 3HB GLU 12 -13.481 2.925 -2.221 96 HG2 GLU 12 2HG GLU 12 -13.638 0.670 -1.309 97 HG3 GLU 12 3HG GLU 12 -12.192 0.205 -2.203 98 H LYS 13 H LYS 13 -12.732 2.721 -5.914 99 HA LYS 13 HA LYS 13 -14.450 5.069 -5.966 100 HB2 LYS 13 2HB LYS 13 -11.795 4.762 -6.451 101 HB3 LYS 13 3HB LYS 13 -12.431 4.708 -8.090 102 HG2 LYS 13 2HG LYS 13 -12.819 6.920 -6.085 103 HG3 LYS 13 3HG LYS 13 -11.802 6.963 -7.527 104 HD2 LYS 13 2HD LYS 13 -13.794 6.684 -8.930 105 HD3 LYS 13 3HD LYS 13 -14.805 6.655 -7.484 106 HE2 LYS 13 2HE LYS 13 -12.973 8.964 -7.913 107 HE3 LYS 13 3HE LYS 13 -14.454 8.870 -8.863 108 HZ1 LYS 13 3HZ LYS 13 -15.672 8.628 -6.729 109 HZ2 LYS 13 1HZ LYS 13 -14.901 10.123 -6.908 110 HZ3 LYS 13 2HZ LYS 13 -14.227 8.939 -5.906 111 H LEU 14 H LEU 14 -13.681 2.260 -7.960 112 HA LEU 14 HA LEU 14 -15.039 2.901 -10.281 113 HB2 LEU 14 2HB LEU 14 -14.756 0.223 -8.928 114 HB3 LEU 14 3HB LEU 14 -15.325 0.450 -10.581 115 HG LEU 14 HG LEU 14 -12.632 1.466 -9.753 116 HD11 LEU 14 1HD1 LEU 14 -11.926 -0.594 -9.315 117 HD12 LEU 14 2HD1 LEU 14 -12.218 -0.976 -11.012 118 HD13 LEU 14 3HD1 LEU 14 -13.466 -1.298 -9.808 119 HD21 LEU 14 3HD2 LEU 14 -14.098 0.896 -12.267 120 HD22 LEU 14 1HD2 LEU 14 -12.356 0.619 -12.255 121 HD23 LEU 14 2HD2 LEU 14 -12.998 2.216 -11.868 122 H SER 15 H SER 15 -16.291 1.818 -7.199 123 HA SER 15 HA SER 15 -18.886 1.111 -8.028 124 HB2 SER 15 2HB SER 15 -19.437 1.009 -5.755 125 HB3 SER 15 3HB SER 15 -17.697 0.720 -5.749 126 HG SER 15 HG SER 15 -18.798 2.436 -4.297 127 H GLY 16 H GLY 16 -17.366 4.177 -7.497 128 HA2 GLY 16 2HA GLY 16 -19.969 5.546 -7.627 129 HA3 GLY 16 3HA GLY 16 -18.462 6.272 -7.087 130 H VAL 17 H VAL 17 -16.858 5.299 -9.262 131 HA VAL 17 HA VAL 17 -17.052 7.390 -11.058 132 HB VAL 17 HB VAL 17 -15.167 5.611 -10.705 133 HG11 VAL 17 1HG1 VAL 17 -16.766 3.809 -11.614 134 HG12 VAL 17 2HG1 VAL 17 -16.354 4.457 -13.203 135 HG13 VAL 17 3HG1 VAL 17 -15.090 3.798 -12.163 136 HG21 VAL 17 3HG2 VAL 17 -14.655 6.080 -13.331 137 HG22 VAL 17 1HG2 VAL 17 -15.867 7.315 -12.991 138 HG23 VAL 17 2HG2 VAL 17 -14.385 7.247 -12.037 139 H LYS 18 H LYS 18 -18.771 4.372 -11.005 140 HA LYS 18 HA LYS 18 -19.626 4.340 -13.704 141 HB2 LYS 18 2HB LYS 18 -20.302 2.913 -11.216 142 HB3 LYS 18 3HB LYS 18 -21.612 3.020 -12.383 143 HG2 LYS 18 2HG LYS 18 -20.550 1.701 -13.910 144 HG3 LYS 18 3HG LYS 18 -18.940 2.165 -13.356 145 HD2 LYS 18 2HD LYS 18 -18.831 0.337 -12.097 146 HD3 LYS 18 3HD LYS 18 -20.283 0.834 -11.225 147 HE2 LYS 18 2HE LYS 18 -20.644 -0.367 -13.913 148 HE3 LYS 18 3HE LYS 18 -20.140 -1.441 -12.608 149 HZ1 LYS 18 3HZ LYS 18 -22.328 0.347 -11.966 150 HZ2 LYS 18 1HZ LYS 18 -22.128 -1.295 -11.607 151 HZ3 LYS 18 2HZ LYS 18 -22.682 -0.824 -13.134 152 H GLU 19 H GLU 19 -20.851 5.883 -10.805 153 HA GLU 19 HA GLU 19 -23.425 6.528 -11.546 154 HB2 GLU 19 2HB GLU 19 -23.402 8.119 -9.861 155 HB3 GLU 19 3HB GLU 19 -22.094 7.051 -9.370 156 HG2 GLU 19 2HG GLU 19 -20.582 8.688 -10.672 157 HG3 GLU 19 3HG GLU 19 -21.949 9.794 -10.544 158 H LYS 20 H LYS 20 -20.410 7.936 -12.624 159 HA LYS 20 HA LYS 20 -21.894 9.874 -14.265 160 HB2 LYS 20 2HB LYS 20 -20.262 10.983 -12.934 161 HB3 LYS 20 3HB LYS 20 -19.029 9.792 -13.328 162 HG2 LYS 20 2HG LYS 20 -18.395 10.930 -15.122 163 HG3 LYS 20 3HG LYS 20 -20.054 11.052 -15.712 164 HD2 LYS 20 2HD LYS 20 -20.403 12.934 -14.103 165 HD3 LYS 20 3HD LYS 20 -18.678 12.866 -13.734 166 HE2 LYS 20 2HE LYS 20 -19.129 12.950 -16.583 167 HE3 LYS 20 3HE LYS 20 -19.920 14.305 -15.781 168 HZ1 LYS 20 3HZ LYS 20 -17.828 14.886 -14.745 169 HZ2 LYS 20 1HZ LYS 20 -17.641 14.827 -16.426 170 HZ3 LYS 20 2HZ LYS 20 -17.062 13.561 -15.466 171 H MET 21 H MET 21 -19.406 7.366 -14.397 172 HA MET 21 HA MET 21 -18.816 7.545 -17.131 173 HB2 MET 21 2HB MET 21 -17.329 6.276 -15.820 174 HB3 MET 21 3HB MET 21 -18.624 5.307 -15.132 175 HG2 MET 21 2HG MET 21 -18.978 4.254 -17.319 176 HG3 MET 21 3HG MET 21 -17.645 5.201 -17.974 177 HE1 MET 21 3HE MET 21 -15.395 4.962 -17.653 178 HE2 MET 21 1HE MET 21 -14.538 3.567 -16.997 179 HE3 MET 21 2HE MET 21 -15.482 3.405 -18.478 180 H LYS 22 H LYS 22 -20.695 4.911 -15.639 181 HA LYS 22 HA LYS 22 -21.841 3.943 -17.958 182 HB2 LYS 22 2HB LYS 22 -21.917 2.802 -15.763 183 HB3 LYS 22 3HB LYS 22 -23.095 3.983 -15.206 184 HG2 LYS 22 2HG LYS 22 -24.001 2.834 -17.660 185 HG3 LYS 22 3HG LYS 22 -23.569 1.550 -16.528 186 HD2 LYS 22 2HD LYS 22 -24.955 2.750 -14.804 187 HD3 LYS 22 3HD LYS 22 -25.519 3.808 -16.100 188 HE2 LYS 22 2HE LYS 22 -26.565 2.016 -17.233 189 HE3 LYS 22 3HE LYS 22 -25.746 0.812 -16.239 190 HZ1 LYS 22 3HZ LYS 22 -27.418 2.723 -14.822 191 HZ2 LYS 22 1HZ LYS 22 -27.215 1.062 -14.568 192 HZ3 LYS 22 2HZ LYS 22 -28.234 1.610 -15.801 193 H ASN 23 H ASN 23 -22.677 6.757 -16.109 194 HA ASN 23 HA ASN 23 -25.300 7.102 -17.182 195 HB2 ASN 23 2HB ASN 23 -24.475 8.108 -15.028 196 HB3 ASN 23 3HB ASN 23 -23.508 9.224 -15.987 197 HD21 ASN 23 1HD2 ASN 23 -25.505 9.978 -14.158 198 HD22 ASN 23 2HD2 ASN 23 -26.768 10.762 -15.037 199 H SER 24 H SER 24 -22.201 8.753 -17.804 200 HA SER 24 HA SER 24 -23.267 9.545 -20.436 201 HB2 SER 24 2HB SER 24 -21.100 11.208 -19.936 202 HB3 SER 24 3HB SER 24 -22.801 11.643 -19.771 203 HG SER 24 HG SER 24 -20.968 11.495 -17.870 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.548 -0.160 1.025 2 HA2 GLY 1 2HA GLY 1 2.994 0.495 -0.981 3 HA3 GLY 1 3HA GLY 1 1.934 -0.885 -1.227 4 H ARG 2 H ARG 2 3.022 1.288 -3.036 5 HA ARG 2 HA ARG 2 1.002 3.018 -3.860 6 HB2 ARG 2 2HB ARG 2 2.205 3.178 -5.973 7 HB3 ARG 2 3HB ARG 2 3.334 3.177 -4.625 8 HG2 ARG 2 2HG ARG 2 2.801 0.515 -5.688 9 HG3 ARG 2 3HG ARG 2 3.516 1.620 -6.864 10 HD2 ARG 2 2HD ARG 2 4.600 0.974 -4.124 11 HD3 ARG 2 3HD ARG 2 5.247 0.405 -5.662 12 HE ARG 2 HE ARG 2 5.191 3.201 -5.709 13 HH11 ARG 2 1HH1 ARG 2 6.829 0.608 -4.062 14 HH12 ARG 2 2HH1 ARG 2 8.277 1.520 -3.791 15 HH21 ARG 2 1HH2 ARG 2 7.091 4.412 -5.358 16 HH22 ARG 2 2HH2 ARG 2 8.424 3.684 -4.528 17 H GLY 3 H GLY 3 1.323 -0.390 -4.280 18 HA2 GLY 3 2HA GLY 3 -0.859 -0.382 -6.265 19 HA3 GLY 3 3HA GLY 3 0.284 -1.698 -6.036 20 H ARG 4 H ARG 4 0.085 -1.533 -3.100 21 HA ARG 4 HA ARG 4 -2.085 -3.348 -2.771 22 HB2 ARG 4 2HB ARG 4 -0.400 -1.978 -0.666 23 HB3 ARG 4 3HB ARG 4 -1.439 -3.374 -0.409 24 HG2 ARG 4 2HG ARG 4 0.080 -4.377 -2.341 25 HG3 ARG 4 3HG ARG 4 1.220 -3.194 -1.697 26 HD2 ARG 4 2HD ARG 4 -0.129 -4.699 0.392 27 HD3 ARG 4 3HD ARG 4 0.764 -5.738 -0.717 28 HE ARG 4 HE ARG 4 2.448 -3.641 -0.044 29 HH11 ARG 4 1HH1 ARG 4 0.828 -6.273 1.559 30 HH12 ARG 4 2HH1 ARG 4 2.035 -6.438 2.791 31 HH21 ARG 4 1HH2 ARG 4 4.044 -3.848 1.573 32 HH22 ARG 4 2HH2 ARG 4 3.864 -5.058 2.798 33 H GLU 5 H GLU 5 -1.569 0.051 -2.015 34 HA GLU 5 HA GLU 5 -4.154 0.263 -0.703 35 HB2 GLU 5 2HB GLU 5 -2.018 1.507 -0.002 36 HB3 GLU 5 3HB GLU 5 -2.321 2.551 -1.383 37 HG2 GLU 5 2HG GLU 5 -3.446 3.778 0.112 38 HG3 GLU 5 3HG GLU 5 -4.737 2.619 -0.198 39 H PHE 6 H PHE 6 -3.063 0.257 -3.832 40 HA PHE 6 HA PHE 6 -4.976 2.238 -4.803 41 HB2 PHE 6 2HB PHE 6 -2.811 2.317 -5.856 42 HB3 PHE 6 3HB PHE 6 -2.870 0.594 -6.215 43 HD1 PHE 6 HD1 PHE 6 -4.138 3.904 -7.134 44 HD2 PHE 6 HD2 PHE 6 -4.144 -0.248 -8.069 45 HE1 PHE 6 HE1 PHE 6 -5.144 4.402 -9.323 46 HE2 PHE 6 HE2 PHE 6 -5.148 0.243 -10.260 47 HZ PHE 6 HZ PHE 6 -5.649 2.571 -10.890 48 H MET 7 H MET 7 -4.332 -1.232 -4.944 49 HA MET 7 HA MET 7 -6.322 -1.975 -6.749 50 HB2 MET 7 2HB MET 7 -6.228 -4.202 -5.614 51 HB3 MET 7 3HB MET 7 -4.657 -3.568 -6.085 52 HG2 MET 7 2HG MET 7 -4.387 -2.748 -3.735 53 HG3 MET 7 3HG MET 7 -5.854 -3.637 -3.330 54 HE1 MET 7 3HE MET 7 -4.834 -7.194 -2.975 55 HE2 MET 7 1HE MET 7 -5.772 -5.846 -2.330 56 HE3 MET 7 2HE MET 7 -6.020 -6.377 -3.994 57 H SER 8 H SER 8 -6.475 -1.666 -3.213 58 HA SER 8 HA SER 8 -9.191 -2.447 -2.997 59 HB2 SER 8 2HB SER 8 -7.605 -2.518 -1.098 60 HB3 SER 8 3HB SER 8 -7.551 -0.755 -1.094 61 HG SER 8 HG SER 8 -9.071 -1.259 0.385 62 H ASN 9 H ASN 9 -7.624 0.749 -2.938 63 HA ASN 9 HA ASN 9 -9.932 2.291 -2.677 64 HB2 ASN 9 2HB ASN 9 -7.682 3.216 -2.395 65 HB3 ASN 9 3HB ASN 9 -7.357 2.980 -4.110 66 HD21 ASN 9 1HD2 ASN 9 -7.358 4.845 -5.118 67 HD22 ASN 9 2HD2 ASN 9 -8.469 6.143 -4.863 68 H LEU 10 H LEU 10 -8.407 0.912 -5.532 69 HA LEU 10 HA LEU 10 -9.678 2.251 -7.565 70 HB2 LEU 10 2HB LEU 10 -7.943 0.445 -7.761 71 HB3 LEU 10 3HB LEU 10 -9.237 -0.727 -7.525 72 HG LEU 10 HG LEU 10 -10.206 0.723 -9.614 73 HD11 LEU 10 1HD1 LEU 10 -7.412 0.339 -10.493 74 HD12 LEU 10 2HD1 LEU 10 -7.741 1.749 -9.487 75 HD13 LEU 10 3HD1 LEU 10 -8.613 1.526 -11.003 76 HD21 LEU 10 3HD2 LEU 10 -10.137 -1.708 -9.435 77 HD22 LEU 10 1HD2 LEU 10 -8.400 -1.691 -9.741 78 HD23 LEU 10 2HD2 LEU 10 -9.523 -1.173 -11.000 79 H LYS 11 H LYS 11 -10.821 -0.861 -6.243 80 HA LYS 11 HA LYS 11 -13.312 -0.845 -7.483 81 HB2 LYS 11 2HB LYS 11 -11.952 -2.526 -5.742 82 HB3 LYS 11 3HB LYS 11 -13.382 -2.055 -4.833 83 HG2 LYS 11 2HG LYS 11 -14.677 -2.685 -6.968 84 HG3 LYS 11 3HG LYS 11 -13.201 -3.539 -7.423 85 HD2 LYS 11 2HD LYS 11 -14.103 -5.252 -6.282 86 HD3 LYS 11 3HD LYS 11 -13.537 -4.377 -4.857 87 HE2 LYS 11 2HE LYS 11 -15.800 -3.175 -4.939 88 HE3 LYS 11 3HE LYS 11 -16.294 -4.457 -6.044 89 HZ1 LYS 11 3HZ LYS 11 -15.023 -5.418 -3.648 90 HZ2 LYS 11 1HZ LYS 11 -16.464 -5.915 -4.383 91 HZ3 LYS 11 2HZ LYS 11 -16.459 -4.574 -3.352 92 H GLU 12 H GLU 12 -12.246 0.670 -4.506 93 HA GLU 12 HA GLU 12 -14.794 1.312 -3.473 94 HB2 GLU 12 2HB GLU 12 -12.080 2.567 -3.062 95 HB3 GLU 12 3HB GLU 12 -13.518 3.084 -2.192 96 HG2 GLU 12 2HG GLU 12 -13.763 0.849 -1.250 97 HG3 GLU 12 3HG GLU 12 -12.331 0.319 -2.131 98 H LYS 13 H LYS 13 -12.762 2.803 -5.878 99 HA LYS 13 HA LYS 13 -14.391 5.212 -5.969 100 HB2 LYS 13 2HB LYS 13 -11.748 4.802 -6.438 101 HB3 LYS 13 3HB LYS 13 -12.378 4.746 -8.079 102 HG2 LYS 13 2HG LYS 13 -13.091 6.990 -6.231 103 HG3 LYS 13 3HG LYS 13 -11.580 6.997 -7.144 104 HD2 LYS 13 2HD LYS 13 -12.644 7.220 -9.164 105 HD3 LYS 13 3HD LYS 13 -14.118 6.433 -8.596 106 HE2 LYS 13 2HE LYS 13 -13.352 9.033 -7.375 107 HE3 LYS 13 3HE LYS 13 -13.996 9.045 -9.016 108 HZ1 LYS 13 3HZ LYS 13 -15.883 9.248 -7.744 109 HZ2 LYS 13 1HZ LYS 13 -15.314 8.234 -6.514 110 HZ3 LYS 13 2HZ LYS 13 -15.834 7.574 -7.982 111 H LEU 14 H LEU 14 -13.720 2.350 -7.922 112 HA LEU 14 HA LEU 14 -15.045 3.009 -10.257 113 HB2 LEU 14 2HB LEU 14 -14.871 0.341 -8.866 114 HB3 LEU 14 3HB LEU 14 -15.422 0.567 -10.525 115 HG LEU 14 HG LEU 14 -12.695 1.487 -9.693 116 HD11 LEU 14 1HD1 LEU 14 -12.422 -1.001 -10.942 117 HD12 LEU 14 2HD1 LEU 14 -13.629 -1.230 -9.677 118 HD13 LEU 14 3HD1 LEU 14 -12.037 -0.588 -9.271 119 HD21 LEU 14 3HD2 LEU 14 -14.064 0.740 -12.257 120 HD22 LEU 14 1HD2 LEU 14 -12.306 0.802 -12.129 121 HD23 LEU 14 2HD2 LEU 14 -13.263 2.253 -11.828 122 H SER 15 H SER 15 -16.349 2.012 -7.167 123 HA SER 15 HA SER 15 -18.966 1.395 -7.996 124 HB2 SER 15 2HB SER 15 -19.513 1.304 -5.736 125 HB3 SER 15 3HB SER 15 -17.772 1.026 -5.696 126 HG SER 15 HG SER 15 -19.229 3.103 -4.693 127 H GLY 16 H GLY 16 -17.333 4.409 -7.498 128 HA2 GLY 16 2HA GLY 16 -19.881 5.874 -7.660 129 HA3 GLY 16 3HA GLY 16 -18.350 6.550 -7.124 130 H VAL 17 H VAL 17 -16.774 5.490 -9.278 131 HA VAL 17 HA VAL 17 -16.888 7.560 -11.105 132 HB VAL 17 HB VAL 17 -15.069 5.719 -10.717 133 HG11 VAL 17 1HG1 VAL 17 -15.049 3.887 -12.155 134 HG12 VAL 17 2HG1 VAL 17 -16.726 3.963 -11.611 135 HG13 VAL 17 3HG1 VAL 17 -16.286 4.576 -13.206 136 HG21 VAL 17 3HG2 VAL 17 -14.522 6.134 -13.342 137 HG22 VAL 17 1HG2 VAL 17 -15.697 7.412 -13.033 138 HG23 VAL 17 2HG2 VAL 17 -14.227 7.314 -12.064 139 H LYS 18 H LYS 18 -18.713 4.606 -11.015 140 HA LYS 18 HA LYS 18 -19.557 4.563 -13.717 141 HB2 LYS 18 2HB LYS 18 -20.582 3.330 -11.180 142 HB3 LYS 18 3HB LYS 18 -21.516 3.206 -12.665 143 HG2 LYS 18 2HG LYS 18 -19.824 1.972 -13.746 144 HG3 LYS 18 3HG LYS 18 -18.641 2.356 -12.493 145 HD2 LYS 18 2HD LYS 18 -20.115 1.099 -10.879 146 HD3 LYS 18 3HD LYS 18 -21.044 0.552 -12.277 147 HE2 LYS 18 2HE LYS 18 -19.152 -0.582 -13.182 148 HE3 LYS 18 3HE LYS 18 -18.073 0.148 -11.995 149 HZ1 LYS 18 3HZ LYS 18 -19.190 -2.286 -11.758 150 HZ2 LYS 18 1HZ LYS 18 -20.261 -1.343 -10.850 151 HZ3 LYS 18 2HZ LYS 18 -18.615 -1.365 -10.461 152 H GLU 19 H GLU 19 -20.739 6.193 -10.848 153 HA GLU 19 HA GLU 19 -23.285 6.919 -11.611 154 HB2 GLU 19 2HB GLU 19 -23.212 8.533 -9.951 155 HB3 GLU 19 3HB GLU 19 -21.946 7.427 -9.437 156 HG2 GLU 19 2HG GLU 19 -20.373 8.991 -10.764 157 HG3 GLU 19 3HG GLU 19 -21.698 10.147 -10.643 158 H LYS 20 H LYS 20 -20.217 8.201 -12.696 159 HA LYS 20 HA LYS 20 -21.623 10.165 -14.373 160 HB2 LYS 20 2HB LYS 20 -19.958 11.235 -13.051 161 HB3 LYS 20 3HB LYS 20 -18.767 9.996 -13.421 162 HG2 LYS 20 2HG LYS 20 -18.085 11.083 -15.229 163 HG3 LYS 20 3HG LYS 20 -19.736 11.254 -15.829 164 HD2 LYS 20 2HD LYS 20 -18.706 12.997 -13.616 165 HD3 LYS 20 3HD LYS 20 -18.382 13.387 -15.306 166 HE2 LYS 20 2HE LYS 20 -21.139 12.910 -14.188 167 HE3 LYS 20 3HE LYS 20 -20.402 14.504 -14.332 168 HZ1 LYS 20 3HZ LYS 20 -20.113 13.330 -16.804 169 HZ2 LYS 20 1HZ LYS 20 -21.199 14.558 -16.385 170 HZ3 LYS 20 2HZ LYS 20 -21.687 12.940 -16.322 171 H MET 21 H MET 21 -19.225 7.569 -14.455 172 HA MET 21 HA MET 21 -18.618 7.684 -17.188 173 HB2 MET 21 2HB MET 21 -17.183 6.383 -15.851 174 HB3 MET 21 3HB MET 21 -18.516 5.471 -15.155 175 HG2 MET 21 2HG MET 21 -18.898 4.399 -17.327 176 HG3 MET 21 3HG MET 21 -17.529 5.287 -17.991 177 HE1 MET 21 3HE MET 21 -16.470 1.663 -17.953 178 HE2 MET 21 1HE MET 21 -17.943 1.491 -16.998 179 HE3 MET 21 2HE MET 21 -17.922 2.557 -18.403 180 H LYS 22 H LYS 22 -20.597 5.142 -15.666 181 HA LYS 22 HA LYS 22 -21.768 4.181 -17.975 182 HB2 LYS 22 2HB LYS 22 -21.902 3.058 -15.787 183 HB3 LYS 22 3HB LYS 22 -23.003 4.306 -15.217 184 HG2 LYS 22 2HG LYS 22 -24.059 3.257 -17.628 185 HG3 LYS 22 3HG LYS 22 -23.603 1.901 -16.594 186 HD2 LYS 22 2HD LYS 22 -24.837 3.109 -14.728 187 HD3 LYS 22 3HD LYS 22 -25.495 4.160 -15.985 188 HE2 LYS 22 2HE LYS 22 -25.966 1.700 -17.040 189 HE3 LYS 22 3HE LYS 22 -26.135 1.371 -15.317 190 HZ1 LYS 22 3HZ LYS 22 -28.198 2.135 -15.569 191 HZ2 LYS 22 1HZ LYS 22 -27.870 2.829 -17.077 192 HZ3 LYS 22 2HZ LYS 22 -27.516 3.681 -15.659 193 H ASN 23 H ASN 23 -22.510 7.051 -16.173 194 HA ASN 23 HA ASN 23 -25.114 7.473 -17.264 195 HB2 ASN 23 2HB ASN 23 -24.262 8.482 -15.122 196 HB3 ASN 23 3HB ASN 23 -23.251 9.548 -16.093 197 HD21 ASN 23 1HD2 ASN 23 -25.214 10.418 -14.290 198 HD22 ASN 23 2HD2 ASN 23 -26.450 11.227 -15.186 199 H SER 24 H SER 24 -21.955 9.003 -17.897 200 HA SER 24 HA SER 24 -22.698 9.338 -20.691 201 HB2 SER 24 2HB SER 24 -23.256 11.429 -19.113 202 HB3 SER 24 3HB SER 24 -21.551 11.769 -19.412 203 HG SER 24 HG SER 24 -21.966 12.140 -21.472 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.758 -0.036 -1.149 2 HA2 GLY 1 2HA GLY 1 0.965 -0.459 -0.487 3 HA3 GLY 1 3HA GLY 1 1.908 0.989 -0.165 4 H ARG 2 H ARG 2 2.829 1.189 -2.950 5 HA ARG 2 HA ARG 2 0.894 2.925 -3.947 6 HB2 ARG 2 2HB ARG 2 2.165 2.911 -6.026 7 HB3 ARG 2 3HB ARG 2 3.252 2.959 -4.644 8 HG2 ARG 2 2HG ARG 2 2.659 0.254 -5.557 9 HG3 ARG 2 3HG ARG 2 3.449 1.258 -6.775 10 HD2 ARG 2 2HD ARG 2 4.423 0.749 -3.966 11 HD3 ARG 2 3HD ARG 2 5.097 0.064 -5.444 12 HE ARG 2 HE ARG 2 5.222 2.775 -5.802 13 HH11 ARG 2 1HH1 ARG 2 6.417 0.522 -3.432 14 HH12 ARG 2 2HH1 ARG 2 7.816 1.468 -3.046 15 HH21 ARG 2 1HH2 ARG 2 7.060 4.030 -5.303 16 HH22 ARG 2 2HH2 ARG 2 8.180 3.464 -4.111 17 H GLY 3 H GLY 3 1.112 -0.511 -4.141 18 HA2 GLY 3 2HA GLY 3 -1.005 -0.562 -6.195 19 HA3 GLY 3 3HA GLY 3 0.081 -1.897 -5.839 20 H ARG 4 H ARG 4 -0.218 -1.502 -2.924 21 HA ARG 4 HA ARG 4 -2.452 -3.230 -2.549 22 HB2 ARG 4 2HB ARG 4 -0.805 -1.752 -0.488 23 HB3 ARG 4 3HB ARG 4 -1.897 -3.092 -0.166 24 HG2 ARG 4 2HG ARG 4 -0.346 -4.291 -1.950 25 HG3 ARG 4 3HG ARG 4 0.810 -3.093 -1.365 26 HD2 ARG 4 2HD ARG 4 0.769 -3.930 0.804 27 HD3 ARG 4 3HD ARG 4 -0.774 -4.748 0.561 28 HE ARG 4 HE ARG 4 0.369 -6.569 -0.203 29 HH11 ARG 4 1HH1 ARG 4 2.457 -3.788 -0.365 30 HH12 ARG 4 2HH1 ARG 4 3.856 -4.701 -0.824 31 HH21 ARG 4 1HH2 ARG 4 2.203 -7.783 -0.808 32 HH22 ARG 4 2HH2 ARG 4 3.710 -6.974 -1.077 33 H GLU 5 H GLU 5 -1.854 0.198 -1.985 34 HA GLU 5 HA GLU 5 -4.473 0.582 -0.799 35 HB2 GLU 5 2HB GLU 5 -2.287 1.829 -0.185 36 HB3 GLU 5 3HB GLU 5 -2.611 2.792 -1.619 37 HG2 GLU 5 2HG GLU 5 -4.322 3.896 -0.663 38 HG3 GLU 5 3HG GLU 5 -4.861 2.489 0.253 39 H PHE 6 H PHE 6 -3.298 0.293 -3.885 40 HA PHE 6 HA PHE 6 -5.126 2.234 -5.072 41 HB2 PHE 6 2HB PHE 6 -2.663 0.978 -5.880 42 HB3 PHE 6 3HB PHE 6 -3.903 0.700 -7.098 43 HD1 PHE 6 HD2 PHE 6 -2.159 3.338 -5.178 44 HD2 PHE 6 HD1 PHE 6 -4.560 2.404 -8.566 45 HE1 PHE 6 HE2 PHE 6 -1.800 5.609 -6.054 46 HE2 PHE 6 HE1 PHE 6 -4.203 4.673 -9.449 47 HZ PHE 6 HZ PHE 6 -2.823 6.279 -8.192 48 H MET 7 H MET 7 -4.559 -1.260 -4.977 49 HA MET 7 HA MET 7 -6.553 -2.075 -6.735 50 HB2 MET 7 2HB MET 7 -6.530 -4.219 -5.442 51 HB3 MET 7 3HB MET 7 -4.941 -3.662 -5.947 52 HG2 MET 7 2HG MET 7 -4.664 -2.680 -3.658 53 HG3 MET 7 3HG MET 7 -6.152 -3.508 -3.203 54 HE1 MET 7 3HE MET 7 -6.507 -5.486 -2.614 55 HE2 MET 7 1HE MET 7 -5.627 -6.971 -2.974 56 HE3 MET 7 2HE MET 7 -5.218 -6.030 -1.540 57 H SER 8 H SER 8 -6.737 -1.530 -3.229 58 HA SER 8 HA SER 8 -9.476 -2.223 -2.997 59 HB2 SER 8 2HB SER 8 -7.914 -2.212 -1.078 60 HB3 SER 8 3HB SER 8 -7.811 -0.455 -1.187 61 HG SER 8 HG SER 8 -9.436 -1.601 0.307 62 H ASN 9 H ASN 9 -7.825 0.930 -3.114 63 HA ASN 9 HA ASN 9 -10.085 2.550 -2.981 64 HB2 ASN 9 2HB ASN 9 -7.807 3.424 -2.754 65 HB3 ASN 9 3HB ASN 9 -7.488 3.066 -4.448 66 HD21 ASN 9 1HD2 ASN 9 -7.522 4.801 -5.659 67 HD22 ASN 9 2HD2 ASN 9 -8.560 6.168 -5.463 68 H LEU 10 H LEU 10 -8.632 0.885 -5.708 69 HA LEU 10 HA LEU 10 -9.808 2.121 -7.856 70 HB2 LEU 10 2HB LEU 10 -8.203 0.253 -7.983 71 HB3 LEU 10 3HB LEU 10 -9.480 -0.853 -7.482 72 HG LEU 10 HG LEU 10 -8.852 -0.711 -9.980 73 HD11 LEU 10 1HD1 LEU 10 -10.867 -1.816 -8.897 74 HD12 LEU 10 2HD1 LEU 10 -11.023 -1.367 -10.595 75 HD13 LEU 10 3HD1 LEU 10 -11.768 -0.369 -9.347 76 HD21 LEU 10 3HD2 LEU 10 -8.918 1.761 -10.073 77 HD22 LEU 10 1HD2 LEU 10 -10.657 1.697 -9.785 78 HD23 LEU 10 2HD2 LEU 10 -9.981 0.994 -11.254 79 H LYS 11 H LYS 11 -11.163 -0.806 -6.328 80 HA LYS 11 HA LYS 11 -13.651 -0.689 -7.570 81 HB2 LYS 11 2HB LYS 11 -12.401 -2.259 -5.554 82 HB3 LYS 11 3HB LYS 11 -13.977 -1.770 -4.946 83 HG2 LYS 11 2HG LYS 11 -15.102 -2.805 -6.738 84 HG3 LYS 11 3HG LYS 11 -13.609 -3.004 -7.659 85 HD2 LYS 11 2HD LYS 11 -13.288 -4.999 -6.736 86 HD3 LYS 11 3HD LYS 11 -13.291 -4.272 -5.127 87 HE2 LYS 11 2HE LYS 11 -15.914 -4.292 -5.552 88 HE3 LYS 11 3HE LYS 11 -15.475 -5.629 -6.614 89 HZ1 LYS 11 3HZ LYS 11 -14.092 -6.097 -4.301 90 HZ2 LYS 11 1HZ LYS 11 -15.504 -6.885 -4.800 91 HZ3 LYS 11 2HZ LYS 11 -15.601 -5.550 -3.766 92 H GLU 12 H GLU 12 -12.467 0.925 -4.693 93 HA GLU 12 HA GLU 12 -14.956 1.795 -3.687 94 HB2 GLU 12 2HB GLU 12 -12.177 2.936 -3.382 95 HB3 GLU 12 3HB GLU 12 -13.577 3.535 -2.503 96 HG2 GLU 12 2HG GLU 12 -13.865 1.391 -1.428 97 HG3 GLU 12 3HG GLU 12 -12.535 0.715 -2.366 98 H LYS 13 H LYS 13 -12.852 3.009 -6.188 99 HA LYS 13 HA LYS 13 -14.264 5.529 -6.407 100 HB2 LYS 13 2HB LYS 13 -11.716 4.806 -6.995 101 HB3 LYS 13 3HB LYS 13 -12.454 4.690 -8.587 102 HG2 LYS 13 2HG LYS 13 -11.773 6.861 -8.619 103 HG3 LYS 13 3HG LYS 13 -13.397 7.064 -7.958 104 HD2 LYS 13 2HD LYS 13 -12.388 6.984 -5.672 105 HD3 LYS 13 3HD LYS 13 -10.796 6.996 -6.433 106 HE2 LYS 13 2HE LYS 13 -12.775 9.104 -7.164 107 HE3 LYS 13 3HE LYS 13 -11.923 9.226 -5.625 108 HZ1 LYS 13 3HZ LYS 13 -10.772 9.213 -8.351 109 HZ2 LYS 13 1HZ LYS 13 -9.827 8.926 -6.977 110 HZ3 LYS 13 2HZ LYS 13 -10.629 10.404 -7.159 111 H LEU 14 H LEU 14 -14.018 2.485 -8.178 112 HA LEU 14 HA LEU 14 -15.408 3.097 -10.476 113 HB2 LEU 14 2HB LEU 14 -15.432 0.562 -8.851 114 HB3 LEU 14 3HB LEU 14 -16.121 0.698 -10.467 115 HG LEU 14 HG LEU 14 -13.217 0.946 -9.695 116 HD11 LEU 14 1HD1 LEU 14 -13.589 -1.307 -9.831 117 HD12 LEU 14 2HD1 LEU 14 -13.219 -0.946 -11.516 118 HD13 LEU 14 3HD1 LEU 14 -14.895 -1.136 -11.003 119 HD21 LEU 14 3HD2 LEU 14 -13.093 0.975 -12.330 120 HD22 LEU 14 1HD2 LEU 14 -13.277 2.464 -11.402 121 HD23 LEU 14 2HD2 LEU 14 -14.684 1.721 -12.164 122 H SER 15 H SER 15 -16.693 2.237 -7.296 123 HA SER 15 HA SER 15 -19.382 1.989 -7.935 124 HB2 SER 15 2HB SER 15 -19.822 2.166 -5.643 125 HB3 SER 15 3HB SER 15 -18.148 1.613 -5.678 126 HG SER 15 HG SER 15 -18.350 3.342 -4.248 127 H GLY 16 H GLY 16 -17.399 4.829 -7.700 128 HA2 GLY 16 2HA GLY 16 -19.763 6.570 -7.837 129 HA3 GLY 16 3HA GLY 16 -18.123 7.092 -7.478 130 H VAL 17 H VAL 17 -16.802 5.791 -9.610 131 HA VAL 17 HA VAL 17 -16.959 7.699 -11.619 132 HB VAL 17 HB VAL 17 -15.178 5.814 -11.124 133 HG11 VAL 17 1HG1 VAL 17 -16.884 4.060 -11.859 134 HG12 VAL 17 2HG1 VAL 17 -16.545 4.599 -13.505 135 HG13 VAL 17 3HG1 VAL 17 -15.251 3.928 -12.512 136 HG21 VAL 17 3HG2 VAL 17 -14.285 7.271 -12.578 137 HG22 VAL 17 1HG2 VAL 17 -14.725 6.081 -13.803 138 HG23 VAL 17 2HG2 VAL 17 -15.793 7.445 -13.476 139 H LYS 18 H LYS 18 -18.827 4.811 -11.139 140 HA LYS 18 HA LYS 18 -19.809 4.509 -13.775 141 HB2 LYS 18 2HB LYS 18 -20.669 3.550 -11.075 142 HB3 LYS 18 3HB LYS 18 -21.761 3.357 -12.440 143 HG2 LYS 18 2HG LYS 18 -19.992 2.125 -13.640 144 HG3 LYS 18 3HG LYS 18 -18.966 2.259 -12.210 145 HD2 LYS 18 2HD LYS 18 -21.214 1.235 -11.111 146 HD3 LYS 18 3HD LYS 18 -21.290 0.521 -12.724 147 HE2 LYS 18 2HE LYS 18 -19.984 -1.062 -11.785 148 HE3 LYS 18 3HE LYS 18 -18.698 0.090 -12.143 149 HZ1 LYS 18 3HZ LYS 18 -18.959 0.972 -9.881 150 HZ2 LYS 18 1HZ LYS 18 -18.514 -0.661 -9.883 151 HZ3 LYS 18 2HZ LYS 18 -20.112 -0.221 -9.551 152 H GLU 19 H GLU 19 -20.564 6.702 -11.233 153 HA GLU 19 HA GLU 19 -23.218 7.344 -11.844 154 HB2 GLU 19 2HB GLU 19 -22.289 8.149 -9.802 155 HB3 GLU 19 3HB GLU 19 -20.985 8.975 -10.643 156 HG2 GLU 19 2HG GLU 19 -22.193 10.815 -10.863 157 HG3 GLU 19 3HG GLU 19 -23.543 9.920 -11.557 158 H LYS 20 H LYS 20 -20.180 8.698 -13.072 159 HA LYS 20 HA LYS 20 -21.672 10.303 -15.011 160 HB2 LYS 20 2HB LYS 20 -18.681 10.285 -14.701 161 HB3 LYS 20 3HB LYS 20 -19.710 11.561 -15.338 162 HG2 LYS 20 2HG LYS 20 -19.259 12.446 -13.302 163 HG3 LYS 20 3HG LYS 20 -20.682 11.494 -12.874 164 HD2 LYS 20 2HD LYS 20 -19.485 10.303 -11.428 165 HD3 LYS 20 3HD LYS 20 -18.363 9.833 -12.707 166 HE2 LYS 20 2HE LYS 20 -16.833 11.391 -12.116 167 HE3 LYS 20 3HE LYS 20 -18.057 12.574 -11.660 168 HZ1 LYS 20 3HZ LYS 20 -17.047 11.988 -9.666 169 HZ2 LYS 20 1HZ LYS 20 -16.969 10.344 -10.059 170 HZ3 LYS 20 2HZ LYS 20 -18.456 11.051 -9.673 171 H MET 21 H MET 21 -19.433 7.610 -14.805 172 HA MET 21 HA MET 21 -18.771 7.393 -17.522 173 HB2 MET 21 2HB MET 21 -17.470 6.143 -15.998 174 HB3 MET 21 3HB MET 21 -18.887 5.388 -15.280 175 HG2 MET 21 2HG MET 21 -19.266 4.154 -17.368 176 HG3 MET 21 3HG MET 21 -17.812 4.883 -18.044 177 HE1 MET 21 3HE MET 21 -17.561 0.979 -17.136 178 HE2 MET 21 1HE MET 21 -18.416 2.110 -18.186 179 HE3 MET 21 2HE MET 21 -16.665 1.942 -18.311 180 H LYS 22 H LYS 22 -20.941 5.151 -15.805 181 HA LYS 22 HA LYS 22 -22.151 4.047 -18.017 182 HB2 LYS 22 2HB LYS 22 -22.397 3.256 -15.663 183 HB3 LYS 22 3HB LYS 22 -23.508 4.588 -15.370 184 HG2 LYS 22 2HG LYS 22 -25.197 3.628 -16.553 185 HG3 LYS 22 3HG LYS 22 -24.100 2.771 -17.638 186 HD2 LYS 22 2HD LYS 22 -23.517 1.593 -15.261 187 HD3 LYS 22 3HD LYS 22 -25.233 1.949 -15.053 188 HE2 LYS 22 2HE LYS 22 -25.516 0.897 -17.383 189 HE3 LYS 22 3HE LYS 22 -23.898 0.244 -17.131 190 HZ1 LYS 22 3HZ LYS 22 -26.057 -1.056 -16.404 191 HZ2 LYS 22 1HZ LYS 22 -25.851 -0.143 -14.995 192 HZ3 LYS 22 2HZ LYS 22 -24.614 -1.166 -15.527 193 H ASN 23 H ASN 23 -22.750 7.131 -16.518 194 HA ASN 23 HA ASN 23 -25.268 7.628 -17.755 195 HB2 ASN 23 2HB ASN 23 -24.429 8.794 -15.700 196 HB3 ASN 23 3HB ASN 23 -23.284 9.661 -16.719 197 HD21 ASN 23 1HD2 ASN 23 -25.705 10.422 -15.056 198 HD22 ASN 23 2HD2 ASN 23 -26.640 11.413 -16.117 199 H SER 24 H SER 24 -21.988 8.856 -18.424 200 HA SER 24 HA SER 24 -21.023 9.668 -20.317 201 HB2 SER 24 2HB SER 24 -22.250 7.366 -21.078 202 HB3 SER 24 3HB SER 24 -23.029 8.520 -22.160 203 HG SER 24 HG SER 24 -20.804 9.234 -22.637
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