NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2362 | 1brz | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN PCA 1 HN PCA 1 -14.023 -19.026 -4.607 2 HA PCA 1 HA PCA 1 -15.465 -18.611 -2.525 3 1HB PCA 1 1HB PCA 1 -15.259 -16.574 -1.558 4 2HB PCA 1 2HB PCA 1 -15.754 -15.756 -3.059 5 1HG PCA 1 1HG PCA 1 -13.061 -16.203 -2.008 6 2HG PCA 1 2HG PCA 1 -13.557 -15.228 -3.403 7 H ASP 2 H ASP 2 -17.593 -18.906 -2.889 8 HA ASP 2 HA ASP 2 -18.571 -18.661 -5.585 9 1HB ASP 2 2HB ASP 2 -20.262 -19.431 -3.220 10 2HB ASP 2 1HB ASP 2 -20.402 -19.958 -4.895 11 H LYS 3 H LYS 3 -18.169 -16.389 -3.359 12 HA LYS 3 HA LYS 3 -20.268 -14.728 -4.449 13 1HB LYS 3 2HB LYS 3 -21.696 -15.060 -2.733 14 2HB LYS 3 1HB LYS 3 -20.482 -15.920 -1.801 15 1HG LYS 3 2HG LYS 3 -19.642 -13.887 -0.879 16 2HG LYS 3 1HG LYS 3 -20.640 -12.918 -1.962 17 1HD LYS 3 2HD LYS 3 -21.729 -14.823 0.109 18 2HD LYS 3 1HD LYS 3 -21.518 -13.089 0.368 19 1HE LYS 3 2HE LYS 3 -23.589 -14.533 -1.135 20 2HE LYS 3 1HE LYS 3 -23.647 -12.946 -0.370 21 1HZ LYS 3 2HZ LYS 3 -22.121 -13.342 -2.860 22 2HZ LYS 3 1HZ LYS 3 -23.797 -13.113 -2.914 23 3HZ LYS 3 3HZ LYS 3 -22.800 -11.923 -2.241 24 H CYS 4 H CYS 4 -19.918 -12.491 -4.120 25 HA CYS 4 HA CYS 4 -17.547 -11.656 -2.693 26 1HB CYS 4 2HB CYS 4 -17.456 -12.158 -5.508 27 2HB CYS 4 1HB CYS 4 -17.287 -10.424 -5.255 28 H LYS 5 H LYS 5 -20.531 -11.228 -2.803 29 HA LYS 5 HA LYS 5 -20.426 -8.311 -2.622 30 1HB LYS 5 2HB LYS 5 -22.664 -8.208 -3.791 31 2HB LYS 5 1HB LYS 5 -21.285 -8.558 -4.817 32 1HG LYS 5 2HG LYS 5 -22.776 -10.865 -3.702 33 2HG LYS 5 1HG LYS 5 -23.560 -9.922 -4.970 34 1HD LYS 5 2HD LYS 5 -20.730 -10.754 -5.373 35 2HD LYS 5 1HD LYS 5 -21.992 -11.976 -5.538 36 1HE LYS 5 2HE LYS 5 -23.034 -10.816 -7.298 37 2HE LYS 5 1HE LYS 5 -22.142 -9.334 -6.958 38 1HZ LYS 5 1HZ LYS 5 -20.343 -11.444 -7.514 39 2HZ LYS 5 3HZ LYS 5 -21.474 -11.322 -8.765 40 3HZ LYS 5 2HZ LYS 5 -20.546 -9.978 -8.331 41 H LYS 6 H LYS 6 -21.231 -7.693 -0.733 42 HA LYS 6 HA LYS 6 -22.969 -9.542 0.745 43 1HB LYS 6 2HB LYS 6 -21.110 -7.341 1.559 44 2HB LYS 6 1HB LYS 6 -22.405 -7.835 2.643 45 1HG LYS 6 2HG LYS 6 -20.246 -8.939 3.109 46 2HG LYS 6 1HG LYS 6 -21.550 -10.070 2.745 47 1HD LYS 6 2HD LYS 6 -20.677 -10.605 0.662 48 2HD LYS 6 1HD LYS 6 -19.733 -9.116 0.566 49 1HE LYS 6 2HE LYS 6 -18.179 -9.923 2.201 50 2HE LYS 6 1HE LYS 6 -19.185 -11.330 2.535 51 1HZ LYS 6 3HZ LYS 6 -18.808 -11.737 -0.012 52 2HZ LYS 6 2HZ LYS 6 -17.424 -10.802 0.256 53 3HZ LYS 6 1HZ LYS 6 -17.658 -12.231 1.128 54 H VAL 7 H VAL 7 -25.057 -9.147 1.002 55 HA VAL 7 HA VAL 7 -26.286 -6.878 -0.143 56 HB VAL 7 HB VAL 7 -28.303 -7.853 0.275 57 1HG1 VAL 7 2HG1 VAL 7 -26.866 -9.480 -0.855 58 2HG1 VAL 7 1HG1 VAL 7 -26.446 -10.185 0.706 59 3HG1 VAL 7 3HG1 VAL 7 -28.108 -10.263 0.123 60 1HG2 VAL 7 1HG2 VAL 7 -27.169 -8.862 2.881 61 2HG2 VAL 7 3HG2 VAL 7 -28.421 -7.641 2.644 62 3HG2 VAL 7 2HG2 VAL 7 -28.754 -9.331 2.267 63 H TYR 8 H TYR 8 -26.733 -4.938 0.660 64 HA TYR 8 HA TYR 8 -25.754 -4.108 3.164 65 1HB TYR 8 2HB TYR 8 -26.372 -2.701 1.058 66 2HB TYR 8 1HB TYR 8 -27.990 -2.676 1.750 67 HD1 TYR 8 HD2 TYR 8 -28.013 -1.988 4.350 68 HD2 TYR 8 HD1 TYR 8 -24.984 -0.944 1.552 69 HE1 TYR 8 HE2 TYR 8 -27.374 -0.087 5.762 70 HE2 TYR 8 HE1 TYR 8 -24.334 0.961 2.957 71 HH TYR 8 HH TYR 8 -24.735 2.100 4.816 72 H GLU 9 H GLU 9 -26.706 -5.913 4.412 73 HA GLU 9 HA GLU 9 -28.575 -7.000 5.410 74 1HB GLU 9 2HB GLU 9 -28.420 -4.398 6.915 75 2HB GLU 9 1HB GLU 9 -28.724 -6.011 7.552 76 1HG GLU 9 2HG GLU 9 -26.545 -5.755 8.164 77 2HG GLU 9 1HG GLU 9 -26.324 -6.483 6.571 78 H ASN 10 H ASN 10 -30.188 -4.605 6.874 79 HA ASN 10 HA ASN 10 -32.609 -5.018 5.529 80 1HB ASN 10 2HB ASN 10 -32.477 -4.128 7.832 81 2HB ASN 10 1HB ASN 10 -31.801 -2.627 7.208 82 1HD2 ASN 10 2HD2 ASN 10 -35.299 -1.864 7.688 83 2HD2 ASN 10 1HD2 ASN 10 -33.858 -2.113 8.609 84 H TYR 11 H TYR 11 -32.581 -1.749 5.672 85 HA TYR 11 HA TYR 11 -31.971 -0.045 4.201 86 1HB TYR 11 2HB TYR 11 -30.338 -1.707 3.113 87 2HB TYR 11 1HB TYR 11 -31.636 -2.011 1.958 88 HD1 TYR 11 HD1 TYR 11 -32.626 0.059 0.757 89 HD2 TYR 11 HD2 TYR 11 -28.868 0.062 2.751 90 HE1 TYR 11 HE1 TYR 11 -31.940 2.027 -0.547 91 HE2 TYR 11 HE2 TYR 11 -28.172 2.030 1.453 92 HH TYR 11 HH TYR 11 -29.135 2.971 -1.129 93 HA PRO 12 HA PRO 12 -36.465 -0.360 3.224 94 1HB PRO 12 2HB PRO 12 -35.899 2.552 2.868 95 2HB PRO 12 1HB PRO 12 -37.251 1.760 3.685 96 1HG PRO 12 2HG PRO 12 -35.275 2.867 5.087 97 2HG PRO 12 1HG PRO 12 -36.019 1.342 5.604 98 1HD PRO 12 2HD PRO 12 -33.375 1.821 4.315 99 2HD PRO 12 1HD PRO 12 -33.844 0.593 5.510 100 H VAL 13 H VAL 13 -36.805 -1.165 1.241 101 HA VAL 13 HA VAL 13 -35.327 -0.747 -1.042 102 HB VAL 13 HB VAL 13 -38.284 -1.355 -0.909 103 1HG1 VAL 13 2HG1 VAL 13 -36.272 -1.737 -3.121 104 2HG1 VAL 13 1HG1 VAL 13 -37.891 -2.434 -3.112 105 3HG1 VAL 13 3HG1 VAL 13 -37.686 -0.683 -3.137 106 1HG2 VAL 13 3HG2 VAL 13 -35.833 -3.022 -0.592 107 2HG2 VAL 13 2HG2 VAL 13 -37.360 -3.085 0.288 108 3HG2 VAL 13 1HG2 VAL 13 -37.260 -3.728 -1.350 109 H SER 14 H SER 14 -38.331 0.889 -0.104 110 HA SER 14 HA SER 14 -39.438 2.585 -1.320 111 1HB SER 14 2HB SER 14 -38.600 4.644 -0.412 112 2HB SER 14 1HB SER 14 -38.346 3.381 0.792 113 HG SER 14 HG SER 14 -36.531 4.887 0.274 114 H LYS 15 H LYS 15 -36.102 3.700 -1.716 115 HA LYS 15 HA LYS 15 -36.595 4.807 -4.258 116 1HB LYS 15 2HB LYS 15 -34.825 5.563 -2.679 117 2HB LYS 15 1HB LYS 15 -33.907 4.113 -3.058 118 1HG LYS 15 2HG LYS 15 -32.932 5.645 -4.456 119 2HG LYS 15 1HG LYS 15 -34.157 4.951 -5.519 120 1HD LYS 15 2HD LYS 15 -35.665 6.819 -4.959 121 2HD LYS 15 1HD LYS 15 -34.391 7.523 -3.960 122 1HE LYS 15 2HE LYS 15 -34.406 8.612 -6.108 123 2HE LYS 15 1HE LYS 15 -32.942 7.641 -5.958 124 1HZ LYS 15 2HZ LYS 15 -34.270 5.861 -7.174 125 2HZ LYS 15 1HZ LYS 15 -35.347 7.097 -7.585 126 3HZ LYS 15 3HZ LYS 15 -33.732 7.183 -8.083 127 H CYS 16 H CYS 16 -33.890 2.594 -3.909 128 HA CYS 16 HA CYS 16 -33.018 1.284 -5.611 129 1HB CYS 16 2HB CYS 16 -35.360 -0.015 -4.314 130 2HB CYS 16 1HB CYS 16 -34.648 -0.839 -5.695 131 H GLN 17 H GLN 17 -33.278 2.678 -7.407 132 HA GLN 17 HA GLN 17 -35.114 1.583 -9.398 133 1HB GLN 17 2HB GLN 17 -35.114 4.380 -8.381 134 2HB GLN 17 1HB GLN 17 -35.325 4.158 -10.113 135 1HG GLN 17 2HG GLN 17 -37.187 2.573 -9.594 136 2HG GLN 17 1HG GLN 17 -37.044 3.064 -7.906 137 1HE2 GLN 17 2HE2 GLN 17 -39.590 5.315 -8.775 138 2HE2 GLN 17 1HE2 GLN 17 -39.220 3.794 -8.044 139 H LEU 18 H LEU 18 -32.175 3.156 -8.530 140 HA LEU 18 HA LEU 18 -30.862 2.329 -10.913 141 1HB LEU 18 2HB LEU 18 -31.871 5.073 -10.709 142 2HB LEU 18 1HB LEU 18 -30.154 4.998 -11.058 143 HG LEU 18 HG LEU 18 -32.093 3.391 -12.667 144 1HD1 LEU 18 3HD1 LEU 18 -31.393 6.291 -13.061 145 2HD1 LEU 18 2HD1 LEU 18 -32.151 5.270 -14.284 146 3HD1 LEU 18 1HD1 LEU 18 -32.994 5.610 -12.772 147 1HD2 LEU 18 3HD2 LEU 18 -29.650 2.986 -12.834 148 2HD2 LEU 18 2HD2 LEU 18 -30.387 3.510 -14.348 149 3HD2 LEU 18 1HD2 LEU 18 -29.454 4.653 -13.380 150 H ALA 19 H ALA 19 -28.570 3.631 -10.888 151 HA ALA 19 HA ALA 19 -27.153 2.645 -8.721 152 1HB ALA 19 2HB ALA 19 -26.226 3.350 -10.945 153 2HB ALA 19 1HB ALA 19 -26.292 5.012 -10.357 154 3HB ALA 19 3HB ALA 19 -25.271 3.828 -9.540 155 H ASN 20 H ASN 20 -25.475 4.788 -8.054 156 HA ASN 20 HA ASN 20 -25.161 6.489 -6.622 157 1HB ASN 20 2HB ASN 20 -27.093 7.574 -7.814 158 2HB ASN 20 1HB ASN 20 -28.145 6.924 -6.562 159 1HD2 ASN 20 2HD2 ASN 20 -27.558 9.477 -4.373 160 2HD2 ASN 20 1HD2 ASN 20 -28.521 8.147 -4.909 161 H GLN 21 H GLN 21 -28.325 5.768 -5.296 162 HA GLN 21 HA GLN 21 -27.865 5.713 -2.706 163 1HB GLN 21 2HB GLN 21 -29.658 4.123 -4.408 164 2HB GLN 21 1HB GLN 21 -29.393 3.438 -2.809 165 1HG GLN 21 2HG GLN 21 -31.362 4.929 -2.961 166 2HG GLN 21 1HG GLN 21 -30.181 5.422 -1.748 167 1HE2 GLN 21 2HE2 GLN 21 -29.321 8.429 -3.328 168 2HE2 GLN 21 1HE2 GLN 21 -28.852 7.229 -2.177 169 H CYS 22 H CYS 22 -28.063 2.385 -3.794 170 HA CYS 22 HA CYS 22 -26.379 1.386 -1.832 171 1HB CYS 22 2HB CYS 22 -26.531 -0.055 -4.437 172 2HB CYS 22 1HB CYS 22 -26.681 -0.678 -2.802 173 H ASN 23 H ASN 23 -25.591 2.187 -5.201 174 HA ASN 23 HA ASN 23 -23.009 1.239 -5.306 175 1HB ASN 23 2HB ASN 23 -24.574 2.583 -7.034 176 2HB ASN 23 1HB ASN 23 -23.471 3.881 -6.584 177 1HD2 ASN 23 1HD2 ASN 23 -21.217 3.570 -6.942 178 2HD2 ASN 23 2HD2 ASN 23 -20.669 2.487 -8.170 179 H TYR 24 H TYR 24 -23.675 4.707 -4.850 180 HA TYR 24 HA TYR 24 -21.177 5.446 -3.986 181 1HB TYR 24 2HB TYR 24 -22.412 7.323 -4.341 182 2HB TYR 24 1HB TYR 24 -23.892 6.584 -3.757 183 HD1 TYR 24 HD1 TYR 24 -20.670 7.038 -1.951 184 HD2 TYR 24 HD2 TYR 24 -24.759 8.165 -2.288 185 HE1 TYR 24 HE1 TYR 24 -20.484 8.313 0.142 186 HE2 TYR 24 HE2 TYR 24 -24.584 9.444 -0.194 187 HH TYR 24 HH TYR 24 -21.730 9.296 1.820 188 H ASP 25 H ASP 25 -23.944 4.790 -1.805 189 HA ASP 25 HA ASP 25 -22.619 4.993 0.590 190 1HB ASP 25 2HB ASP 25 -24.969 3.391 -0.314 191 2HB ASP 25 1HB ASP 25 -24.318 3.096 1.296 192 H CYS 26 H CYS 26 -23.030 1.959 -1.253 193 HA CYS 26 HA CYS 26 -21.529 0.379 0.461 194 1HB CYS 26 2HB CYS 26 -21.762 0.165 -2.553 195 2HB CYS 26 1HB CYS 26 -21.130 -1.097 -1.505 196 H LYS 27 H LYS 27 -20.514 2.426 -2.221 197 HA LYS 27 HA LYS 27 -17.797 1.734 -2.237 198 1HB LYS 27 2HB LYS 27 -19.310 3.218 -3.851 199 2HB LYS 27 1HB LYS 27 -18.587 4.520 -2.919 200 1HG LYS 27 2HG LYS 27 -16.406 3.930 -3.602 201 2HG LYS 27 1HG LYS 27 -16.950 2.381 -4.249 202 1HD LYS 27 2HD LYS 27 -17.872 3.335 -6.129 203 2HD LYS 27 1HD LYS 27 -18.109 4.900 -5.347 204 1HE LYS 27 2HE LYS 27 -15.639 5.204 -5.347 205 2HE LYS 27 1HE LYS 27 -15.498 3.708 -6.271 206 1HZ LYS 27 2HZ LYS 27 -17.269 5.803 -7.294 207 2HZ LYS 27 1HZ LYS 27 -15.601 6.029 -7.449 208 3HZ LYS 27 3HZ LYS 27 -16.338 4.671 -8.137 209 H LEU 28 H LEU 28 -19.234 2.726 0.436 210 HA LEU 28 HA LEU 28 -16.808 3.777 1.533 211 1HB LEU 28 2HB LEU 28 -17.840 5.741 0.341 212 2HB LEU 28 1HB LEU 28 -19.153 5.662 1.498 213 HG LEU 28 HG LEU 28 -16.267 6.047 2.285 214 1HD1 LEU 28 3HD1 LEU 28 -18.383 8.028 1.548 215 2HD1 LEU 28 2HD1 LEU 28 -17.129 8.440 2.720 216 3HD1 LEU 28 1HD1 LEU 28 -16.684 7.978 1.076 217 1HD2 LEU 28 1HD2 LEU 28 -18.832 5.840 3.741 218 2HD2 LEU 28 3HD2 LEU 28 -17.194 5.438 4.254 219 3HD2 LEU 28 2HD2 LEU 28 -17.737 7.114 4.276 220 H ASP 29 H ASP 29 -20.331 3.516 2.067 221 HA ASP 29 HA ASP 29 -20.122 3.516 4.890 222 1HB ASP 29 2HB ASP 29 -22.271 2.852 2.932 223 2HB ASP 29 1HB ASP 29 -22.462 2.278 4.586 224 H LYS 30 H LYS 30 -19.361 1.152 2.584 225 HA LYS 30 HA LYS 30 -18.965 -0.811 4.716 226 1HB LYS 30 2HB LYS 30 -20.443 -1.342 2.136 227 2HB LYS 30 1HB LYS 30 -19.777 -2.619 3.146 228 1HG LYS 30 2HG LYS 30 -21.295 -0.973 4.862 229 2HG LYS 30 1HG LYS 30 -22.274 -1.209 3.416 230 1HD LYS 30 2HD LYS 30 -20.960 -3.459 4.938 231 2HD LYS 30 1HD LYS 30 -22.606 -2.905 5.244 232 1HE LYS 30 2HE LYS 30 -23.130 -4.519 3.745 233 2HE LYS 30 1HE LYS 30 -22.719 -3.270 2.571 234 1HZ LYS 30 3HZ LYS 30 -20.382 -4.210 2.702 235 2HZ LYS 30 2HZ LYS 30 -21.066 -5.548 3.476 236 3HZ LYS 30 1HZ LYS 30 -21.538 -5.150 1.902 237 H HIS 31 H HIS 31 -17.221 0.966 3.210 238 HA HIS 31 HA HIS 31 -15.399 0.947 1.780 239 1HB HIS 31 2HB HIS 31 -14.589 -1.485 3.338 240 2HB HIS 31 1HB HIS 31 -13.610 -0.110 2.838 241 HD1 HIS 31 HD1 HIS 31 -14.677 -1.488 5.804 242 HD2 HIS 31 HD2 HIS 31 -14.986 2.355 4.254 243 HE1 HIS 31 HE1 HIS 31 -15.017 0.014 7.793 244 HE2 HIS 31 HE2 HIS 31 -15.276 2.326 6.824 245 H ALA 32 H ALA 32 -17.511 -0.428 0.506 246 HA ALA 32 HA ALA 32 -16.389 -2.892 -0.545 247 1HB ALA 32 1HB ALA 32 -19.007 -1.493 -0.795 248 2HB ALA 32 3HB ALA 32 -18.547 -2.680 -2.016 249 3HB ALA 32 2HB ALA 32 -18.657 -3.155 -0.322 250 H ARG 33 H ARG 33 -16.944 -3.016 -3.114 251 HA ARG 33 HA ARG 33 -15.163 -1.028 -4.289 252 1HB ARG 33 2HB ARG 33 -15.116 -3.673 -4.564 253 2HB ARG 33 1HB ARG 33 -16.274 -3.334 -5.838 254 1HG ARG 33 2HG ARG 33 -14.597 -2.870 -7.228 255 2HG ARG 33 1HG ARG 33 -14.130 -1.522 -6.200 256 1HD ARG 33 2HD ARG 33 -12.183 -2.758 -6.287 257 2HD ARG 33 1HD ARG 33 -12.912 -3.353 -4.798 258 HE ARG 33 HE ARG 33 -13.837 -5.057 -6.707 259 1HH1 ARG 33 1HH2 ARG 33 -10.676 -3.989 -5.715 260 2HH1 ARG 33 2HH2 ARG 33 -9.887 -5.458 -6.184 261 1HH2 ARG 33 2HH1 ARG 33 -12.816 -6.996 -7.332 262 2HH2 ARG 33 1HH1 ARG 33 -11.107 -7.170 -7.108 263 H SER 34 H SER 34 -18.430 -2.298 -4.582 264 HA SER 34 HA SER 34 -19.382 0.152 -5.703 265 1HB SER 34 2HB SER 34 -19.641 -0.358 -7.902 266 2HB SER 34 1HB SER 34 -18.382 -1.557 -7.598 267 HG SER 34 HG SER 34 -19.809 -3.101 -7.778 268 H GLY 35 H GLY 35 -21.733 -1.013 -6.922 269 1HA GLY 35 2HA GLY 35 -23.098 -2.918 -5.537 270 2HA GLY 35 1HA GLY 35 -23.222 -1.503 -4.506 271 H GLU 36 H GLU 36 -25.487 -2.600 -5.400 272 HA GLU 36 HA GLU 36 -26.832 -0.486 -6.645 273 1HB GLU 36 2HB GLU 36 -25.445 -1.993 -8.514 274 2HB GLU 36 1HB GLU 36 -27.067 -2.662 -8.596 275 1HG GLU 36 2HG GLU 36 -26.434 0.269 -8.834 276 2HG GLU 36 1HG GLU 36 -26.625 -0.825 -10.203 277 H CYS 37 H CYS 37 -29.144 -1.211 -7.289 278 HA CYS 37 HA CYS 37 -30.050 -2.998 -5.196 279 1HB CYS 37 2HB CYS 37 -31.466 -1.131 -7.081 280 2HB CYS 37 1HB CYS 37 -32.356 -2.289 -6.097 281 H PHE 38 H PHE 38 -30.623 -5.061 -5.475 282 HA PHE 38 HA PHE 38 -31.398 -5.991 -8.145 283 1HB PHE 38 2HB PHE 38 -29.106 -7.073 -6.514 284 2HB PHE 38 1HB PHE 38 -29.911 -8.039 -7.745 285 HD1 PHE 38 HD2 PHE 38 -30.263 -6.601 -10.023 286 HD2 PHE 38 HD1 PHE 38 -27.139 -6.104 -7.175 287 HE1 PHE 38 HE2 PHE 38 -28.841 -5.594 -11.763 288 HE2 PHE 38 HE1 PHE 38 -25.712 -5.096 -8.905 289 HZ PHE 38 HZ PHE 38 -26.562 -4.840 -11.206 290 H TYR 39 H TYR 39 -32.234 -8.260 -8.089 291 HA TYR 39 HA TYR 39 -33.259 -9.099 -5.496 292 1HB TYR 39 2HB TYR 39 -35.565 -9.281 -6.318 293 2HB TYR 39 1HB TYR 39 -34.997 -7.632 -6.285 294 HD1 TYR 39 HD2 TYR 39 -33.467 -8.957 -9.098 295 HD2 TYR 39 HD1 TYR 39 -37.286 -7.776 -7.637 296 HE1 TYR 39 HE2 TYR 39 -34.233 -8.627 -11.407 297 HE2 TYR 39 HE1 TYR 39 -38.064 -7.437 -9.952 298 HH TYR 39 HH TYR 39 -36.106 -8.361 -12.708 299 H ASP 40 H ASP 40 -34.838 -11.117 -6.004 300 HA ASP 40 HA ASP 40 -33.354 -12.883 -7.849 301 1HB ASP 40 2HB ASP 40 -34.168 -14.697 -6.134 302 2HB ASP 40 1HB ASP 40 -32.725 -13.745 -5.799 303 H GLU 41 H GLU 41 -34.778 -15.049 -8.013 304 HA GLU 41 HA GLU 41 -36.986 -14.344 -9.598 305 1HB GLU 41 2HB GLU 41 -35.458 -16.637 -9.124 306 2HB GLU 41 1HB GLU 41 -37.090 -17.106 -8.683 307 1HG GLU 41 2HG GLU 41 -36.290 -15.882 -11.314 308 2HG GLU 41 1HG GLU 41 -36.540 -17.602 -11.022 309 H LYS 42 H LYS 42 -37.437 -13.107 -7.162 310 HA LYS 42 HA LYS 42 -39.957 -14.381 -6.362 311 1HB LYS 42 2HB LYS 42 -37.621 -14.151 -4.698 312 2HB LYS 42 1HB LYS 42 -38.901 -13.159 -4.019 313 1HG LYS 42 2HG LYS 42 -39.294 -16.036 -4.790 314 2HG LYS 42 1HG LYS 42 -38.773 -15.525 -3.184 315 1HD LYS 42 2HD LYS 42 -41.279 -14.490 -4.496 316 2HD LYS 42 1HD LYS 42 -41.259 -15.937 -3.488 317 1HE LYS 42 2HE LYS 42 -40.108 -14.386 -1.745 318 2HE LYS 42 1HE LYS 42 -40.782 -13.084 -2.721 319 1HZ LYS 42 1HZ LYS 42 -42.737 -15.077 -2.191 320 2HZ LYS 42 3HZ LYS 42 -42.067 -14.502 -0.747 321 3HZ LYS 42 2HZ LYS 42 -42.774 -13.422 -1.841 322 H ARG 43 H ARG 43 -38.032 -11.547 -6.856 323 HA ARG 43 HA ARG 43 -38.807 -9.464 -7.507 324 1HB ARG 43 2HB ARG 43 -41.126 -10.714 -7.657 325 2HB ARG 43 1HB ARG 43 -41.445 -9.851 -6.159 326 1HG ARG 43 2HG ARG 43 -42.283 -8.370 -7.677 327 2HG ARG 43 1HG ARG 43 -40.624 -7.783 -7.553 328 1HD ARG 43 2HD ARG 43 -40.174 -9.421 -9.517 329 2HD ARG 43 1HD ARG 43 -41.921 -9.356 -9.745 330 HE ARG 43 HE ARG 43 -40.044 -7.124 -10.061 331 1HH1 ARG 43 1HH2 ARG 43 -43.263 -8.425 -10.361 332 2HH1 ARG 43 2HH2 ARG 43 -43.837 -7.121 -11.345 333 1HH2 ARG 43 2HH1 ARG 43 -40.795 -5.401 -11.353 334 2HH2 ARG 43 1HH1 ARG 43 -42.436 -5.401 -11.907 335 H ASN 44 H ASN 44 -37.148 -9.480 -5.587 336 HA ASN 44 HA ASN 44 -38.218 -7.617 -3.612 337 1HB ASN 44 2HB ASN 44 -36.750 -10.171 -2.955 338 2HB ASN 44 1HB ASN 44 -36.815 -8.814 -1.834 339 1HD2 ASN 44 2HD2 ASN 44 -39.599 -10.412 -0.494 340 2HD2 ASN 44 1HD2 ASN 44 -37.935 -9.987 -0.304 341 H LEU 45 H LEU 45 -37.084 -5.855 -4.141 342 HA LEU 45 HA LEU 45 -34.321 -6.054 -4.987 343 1HB LEU 45 2HB LEU 45 -36.309 -3.821 -4.825 344 2HB LEU 45 1HB LEU 45 -34.612 -3.493 -5.113 345 HG LEU 45 HG LEU 45 -36.217 -5.345 -6.866 346 1HD1 LEU 45 3HD1 LEU 45 -35.971 -2.369 -6.912 347 2HD1 LEU 45 2HD1 LEU 45 -36.113 -3.266 -8.424 348 3HD1 LEU 45 1HD1 LEU 45 -37.382 -3.385 -7.206 349 1HD2 LEU 45 1HD2 LEU 45 -33.539 -4.003 -7.066 350 2HD2 LEU 45 3HD2 LEU 45 -33.929 -5.717 -7.207 351 3HD2 LEU 45 2HD2 LEU 45 -34.390 -4.600 -8.490 352 H GLN 46 H GLN 46 -32.568 -5.488 -3.959 353 HA GLN 46 HA GLN 46 -32.717 -4.032 -1.437 354 1HB GLN 46 2HB GLN 46 -32.524 -6.838 -1.473 355 2HB GLN 46 1HB GLN 46 -30.900 -6.275 -1.107 356 1HG GLN 46 2HG GLN 46 -31.837 -6.489 0.982 357 2HG GLN 46 1HG GLN 46 -32.075 -4.776 0.641 358 1HE2 GLN 46 1HE2 GLN 46 -33.806 -7.707 -0.343 359 2HE2 GLN 46 2HE2 GLN 46 -35.354 -7.192 0.229 360 H CYS 47 H CYS 47 -30.680 -3.154 -0.767 361 HA CYS 47 HA CYS 47 -29.035 -2.389 -2.983 362 1HB CYS 47 2HB CYS 47 -29.249 -1.670 -0.106 363 2HB CYS 47 1HB CYS 47 -27.711 -1.346 -0.892 364 H ILE 48 H ILE 48 -27.750 -3.963 -3.793 365 HA ILE 48 HA ILE 48 -26.253 -5.696 -2.004 366 HB ILE 48 HB ILE 48 -26.606 -5.656 -4.990 367 1HG1 ILE 48 2HG1 ILE 48 -27.381 -8.010 -4.489 368 2HG1 ILE 48 1HG1 ILE 48 -27.245 -7.618 -2.778 369 1HG2 ILE 48 2HG2 ILE 48 -24.587 -7.147 -3.353 370 2HG2 ILE 48 1HG2 ILE 48 -25.164 -7.771 -4.899 371 3HG2 ILE 48 3HG2 ILE 48 -24.337 -6.212 -4.827 372 1HD1 ILE 48 2HD1 ILE 48 -28.905 -5.910 -4.569 373 2HD1 ILE 48 1HD1 ILE 48 -29.534 -7.443 -3.961 374 3HD1 ILE 48 3HD1 ILE 48 -29.038 -6.183 -2.831 375 H CYS 49 H CYS 49 -24.269 -5.251 -1.308 376 HA CYS 49 HA CYS 49 -22.711 -3.177 -2.680 377 1HB CYS 49 2HB CYS 49 -22.325 -4.502 0.015 378 2HB CYS 49 1HB CYS 49 -21.256 -3.275 -0.653 379 H ASP 50 H ASP 50 -21.274 -3.813 -4.141 380 HA ASP 50 HA ASP 50 -20.363 -6.571 -4.171 381 1HB ASP 50 2HB ASP 50 -21.119 -4.898 -6.167 382 2HB ASP 50 1HB ASP 50 -19.372 -4.699 -6.240 383 H TYR 51 H TYR 51 -18.378 -7.269 -3.727 384 HA TYR 51 HA TYR 51 -16.407 -5.298 -2.797 385 1HB TYR 51 2HB TYR 51 -17.089 -8.086 -2.024 386 2HB TYR 51 1HB TYR 51 -15.393 -7.628 -1.913 387 HD1 TYR 51 HD1 TYR 51 -14.678 -5.888 -0.346 388 HD2 TYR 51 HD2 TYR 51 -18.731 -7.169 -0.520 389 HE1 TYR 51 HE1 TYR 51 -15.098 -4.828 1.833 390 HE2 TYR 51 HE2 TYR 51 -19.164 -6.111 1.659 391 HH TYR 51 HH TYR 51 -16.642 -4.272 3.344 392 H CYS 52 H CYS 52 -16.963 -7.772 -5.175 393 HA CYS 52 HA CYS 52 -14.405 -7.118 -6.413 394 1HB CYS 52 2HB CYS 52 -14.909 -9.997 -6.579 395 2HB CYS 52 1HB CYS 52 -13.436 -9.140 -6.143 396 H GLU 53 H GLU 53 -15.653 -6.039 -7.978 397 HA GLU 53 HA GLU 53 -16.415 -7.658 -10.183 398 1HB GLU 53 2HB GLU 53 -18.427 -7.547 -8.425 399 2HB GLU 53 1HB GLU 53 -18.754 -6.050 -9.286 400 1HG GLU 53 2HG GLU 53 -20.041 -7.759 -10.301 401 2HG GLU 53 1HG GLU 53 -18.728 -7.363 -11.410 402 H TYR 54 HN TYR 54 -14.550 -5.926 -10.380 403 HA TYR 54 HA TYR 54 -13.773 -4.080 -11.454 404 1HB TYR 54 2HB TYR 54 -16.530 -4.181 -12.690 405 2HB TYR 54 1HB TYR 54 -15.227 -3.142 -13.255 406 HD1 TYR 54 HD1 TYR 54 -12.903 -4.601 -13.503 407 HD2 TYR 54 HD2 TYR 54 -16.873 -6.048 -13.989 408 HE1 TYR 54 HE1 TYR 54 -12.058 -6.421 -14.920 409 HE2 TYR 54 HE2 TYR 54 -16.039 -7.874 -15.411 410 HH TYR 54 HH TYR 54 -14.205 -8.954 -16.134 No H/Q in entry = 410 Start of MODEL 2 1 HN PCA 1 HN PCA 1 -14.505 -18.407 -9.811 2 HA PCA 1 HA PCA 1 -16.763 -17.298 -10.254 3 1HB PCA 1 1HB PCA 1 -18.470 -18.016 -8.956 4 2HB PCA 1 2HB PCA 1 -17.666 -17.382 -7.500 5 1HG PCA 1 1HG PCA 1 -17.812 -20.126 -8.436 6 2HG PCA 1 2HG PCA 1 -17.064 -19.512 -6.950 7 H ASP 2 H ASP 2 -17.427 -15.160 -9.335 8 HA ASP 2 HA ASP 2 -15.181 -13.560 -8.816 9 1HB ASP 2 2HB ASP 2 -16.703 -11.728 -8.644 10 2HB ASP 2 1HB ASP 2 -17.359 -12.822 -9.858 11 H LYS 3 H LYS 3 -17.887 -14.412 -6.647 12 HA LYS 3 HA LYS 3 -18.084 -14.356 -4.380 13 1HB LYS 3 2HB LYS 3 -16.357 -16.202 -4.826 14 2HB LYS 3 1HB LYS 3 -15.154 -15.039 -4.286 15 1HG LYS 3 2HG LYS 3 -15.869 -15.098 -2.109 16 2HG LYS 3 1HG LYS 3 -17.508 -15.582 -2.546 17 1HD LYS 3 2HD LYS 3 -16.402 -17.440 -1.492 18 2HD LYS 3 1HD LYS 3 -16.632 -17.805 -3.203 19 1HE LYS 3 2HE LYS 3 -14.435 -18.176 -3.411 20 2HE LYS 3 1HE LYS 3 -14.100 -16.520 -2.906 21 1HZ LYS 3 2HZ LYS 3 -14.753 -18.093 -0.656 22 2HZ LYS 3 1HZ LYS 3 -13.524 -18.855 -1.532 23 3HZ LYS 3 3HZ LYS 3 -13.318 -17.264 -0.993 24 H CYS 4 H CYS 4 -18.478 -12.240 -3.945 25 HA CYS 4 HA CYS 4 -16.751 -10.835 -2.291 26 1HB CYS 4 2HB CYS 4 -16.140 -10.571 -5.091 27 2HB CYS 4 1HB CYS 4 -16.583 -8.998 -4.432 28 H LYS 5 H LYS 5 -19.648 -11.449 -3.153 29 HA LYS 5 HA LYS 5 -20.754 -8.747 -3.214 30 1HB LYS 5 2HB LYS 5 -21.868 -11.485 -3.721 31 2HB LYS 5 1HB LYS 5 -22.949 -10.142 -3.376 32 1HG LYS 5 2HG LYS 5 -22.107 -8.924 -5.285 33 2HG LYS 5 1HG LYS 5 -20.931 -10.200 -5.609 34 1HD LYS 5 2HD LYS 5 -22.731 -11.778 -6.029 35 2HD LYS 5 1HD LYS 5 -23.927 -10.541 -5.639 36 1HE LYS 5 2HE LYS 5 -22.063 -10.666 -7.992 37 2HE LYS 5 1HE LYS 5 -23.825 -10.608 -7.994 38 1HZ LYS 5 1HZ LYS 5 -23.104 -8.342 -6.679 39 2HZ LYS 5 3HZ LYS 5 -21.933 -8.462 -7.896 40 3HZ LYS 5 2HZ LYS 5 -23.574 -8.433 -8.300 41 H LYS 6 H LYS 6 -21.938 -7.863 -1.607 42 HA LYS 6 HA LYS 6 -22.547 -9.459 0.768 43 1HB LYS 6 2HB LYS 6 -20.330 -7.850 0.666 44 2HB LYS 6 1HB LYS 6 -21.528 -6.762 1.359 45 1HG LYS 6 2HG LYS 6 -20.767 -9.470 2.423 46 2HG LYS 6 1HG LYS 6 -20.270 -7.907 3.081 47 1HD LYS 6 2HD LYS 6 -22.828 -7.449 3.178 48 2HD LYS 6 1HD LYS 6 -22.958 -9.206 3.105 49 1HE LYS 6 2HE LYS 6 -22.960 -8.571 5.409 50 2HE LYS 6 1HE LYS 6 -21.407 -9.327 5.057 51 1HZ LYS 6 3HZ LYS 6 -21.772 -6.391 4.981 52 2HZ LYS 6 2HZ LYS 6 -21.368 -7.206 6.407 53 3HZ LYS 6 1HZ LYS 6 -20.327 -7.267 5.075 54 H VAL 7 H VAL 7 -24.716 -9.328 0.609 55 HA VAL 7 HA VAL 7 -26.156 -7.154 -0.391 56 HB VAL 7 HB VAL 7 -28.028 -8.378 -0.053 57 1HG1 VAL 7 2HG1 VAL 7 -26.136 -9.871 -0.889 58 2HG1 VAL 7 1HG1 VAL 7 -26.166 -10.595 0.719 59 3HG1 VAL 7 3HG1 VAL 7 -27.602 -10.658 -0.304 60 1HG2 VAL 7 2HG2 VAL 7 -26.931 -9.128 2.651 61 2HG2 VAL 7 1HG2 VAL 7 -28.294 -8.068 2.287 62 3HG2 VAL 7 3HG2 VAL 7 -28.419 -9.802 1.987 63 H TYR 8 H TYR 8 -26.864 -5.308 0.431 64 HA TYR 8 HA TYR 8 -25.978 -4.491 3.025 65 1HB TYR 8 2HB TYR 8 -26.260 -2.984 0.991 66 2HB TYR 8 1HB TYR 8 -27.992 -3.079 1.263 67 HD1 TYR 8 HD2 TYR 8 -26.899 -3.088 4.500 68 HD2 TYR 8 HD1 TYR 8 -26.955 -0.481 1.129 69 HE1 TYR 8 HE2 TYR 8 -26.762 -1.158 5.997 70 HE2 TYR 8 HE1 TYR 8 -26.818 1.458 2.632 71 HH TYR 8 HH TYR 8 -27.080 1.123 6.101 72 H GLU 9 H GLU 9 -27.140 -6.455 3.959 73 HA GLU 9 HA GLU 9 -29.003 -7.487 4.879 74 1HB GLU 9 2HB GLU 9 -29.485 -4.812 6.142 75 2HB GLU 9 1HB GLU 9 -29.557 -6.410 6.870 76 1HG GLU 9 2HG GLU 9 -26.967 -6.360 6.208 77 2HG GLU 9 1HG GLU 9 -27.239 -4.632 6.420 78 H ASN 10 H ASN 10 -31.347 -5.914 5.881 79 HA ASN 10 HA ASN 10 -33.111 -6.411 3.821 80 1HB ASN 10 2HB ASN 10 -34.761 -5.237 5.047 81 2HB ASN 10 1HB ASN 10 -33.665 -5.901 6.253 82 1HD2 ASN 10 2HD2 ASN 10 -32.725 -2.839 7.555 83 2HD2 ASN 10 1HD2 ASN 10 -32.555 -4.559 7.565 84 H TYR 11 H TYR 11 -32.147 -3.124 4.803 85 HA TYR 11 HA TYR 11 -31.283 -1.455 3.421 86 1HB TYR 11 2HB TYR 11 -31.082 -3.127 1.509 87 2HB TYR 11 1HB TYR 11 -32.723 -2.657 1.063 88 HD1 TYR 11 HD1 TYR 11 -29.523 -0.936 1.975 89 HD2 TYR 11 HD2 TYR 11 -32.910 -1.090 -0.598 90 HE1 TYR 11 HE1 TYR 11 -28.662 1.006 0.732 91 HE2 TYR 11 HE2 TYR 11 -32.056 0.849 -1.848 92 HH TYR 11 HH TYR 11 -29.301 1.833 -2.069 93 HA PRO 12 HA PRO 12 -34.959 0.946 4.321 94 1HB PRO 12 2HB PRO 12 -33.732 2.826 2.362 95 2HB PRO 12 1HB PRO 12 -34.405 3.151 3.962 96 1HG PRO 12 2HG PRO 12 -31.764 3.039 3.556 97 2HG PRO 12 1HG PRO 12 -32.505 2.449 5.055 98 1HD PRO 12 2HD PRO 12 -31.339 0.921 2.796 99 2HD PRO 12 1HD PRO 12 -31.482 0.483 4.510 100 H VAL 13 H VAL 13 -33.953 1.636 1.075 101 HA VAL 13 HA VAL 13 -34.854 0.702 -0.927 102 HB VAL 13 HB VAL 13 -37.489 0.725 0.536 103 1HG1 VAL 13 2HG1 VAL 13 -36.761 0.416 -2.301 104 2HG1 VAL 13 1HG1 VAL 13 -37.906 -0.773 -1.685 105 3HG1 VAL 13 3HG1 VAL 13 -38.276 0.947 -1.570 106 1HG2 VAL 13 1HG2 VAL 13 -35.453 -1.184 0.706 107 2HG2 VAL 13 3HG2 VAL 13 -37.143 -1.419 1.153 108 3HG2 VAL 13 2HG2 VAL 13 -36.587 -1.862 -0.459 109 H SER 14 H SER 14 -34.579 3.350 0.507 110 HA SER 14 HA SER 14 -36.560 5.132 -0.356 111 1HB SER 14 2HB SER 14 -35.231 6.752 0.553 112 2HB SER 14 1HB SER 14 -34.419 5.352 1.253 113 HG SER 14 HG SER 14 -33.535 7.126 -0.638 114 H LYS 15 H LYS 15 -34.009 3.586 -2.099 115 HA LYS 15 HA LYS 15 -34.940 4.535 -4.580 116 1HB LYS 15 2HB LYS 15 -33.352 6.398 -3.295 117 2HB LYS 15 1HB LYS 15 -32.201 5.591 -4.341 118 1HG LYS 15 2HG LYS 15 -32.858 6.974 -5.967 119 2HG LYS 15 1HG LYS 15 -34.391 6.109 -6.003 120 1HD LYS 15 2HD LYS 15 -35.372 7.664 -4.457 121 2HD LYS 15 1HD LYS 15 -33.813 8.450 -4.192 122 1HE LYS 15 2HE LYS 15 -35.103 8.314 -6.902 123 2HE LYS 15 1HE LYS 15 -35.456 9.610 -5.761 124 1HZ LYS 15 2HZ LYS 15 -32.722 9.469 -5.834 125 2HZ LYS 15 1HZ LYS 15 -33.182 9.252 -7.447 126 3HZ LYS 15 3HZ LYS 15 -33.686 10.629 -6.600 127 H CYS 16 H CYS 16 -34.140 3.345 -6.263 128 HA CYS 16 HA CYS 16 -31.665 2.057 -6.346 129 1HB CYS 16 2HB CYS 16 -33.516 0.739 -4.651 130 2HB CYS 16 1HB CYS 16 -33.358 -0.257 -6.090 131 H GLN 17 H GLN 17 -32.626 3.445 -8.246 132 HA GLN 17 HA GLN 17 -33.991 1.680 -10.161 133 1HB GLN 17 2HB GLN 17 -33.632 4.683 -10.213 134 2HB GLN 17 1HB GLN 17 -34.501 3.736 -11.412 135 1HG GLN 17 2HG GLN 17 -35.238 3.974 -8.504 136 2HG GLN 17 1HG GLN 17 -36.005 4.841 -9.834 137 1HE2 GLN 17 2HE2 GLN 17 -37.339 1.270 -8.797 138 2HE2 GLN 17 1HE2 GLN 17 -36.313 2.277 -7.839 139 H LEU 18 H LEU 18 -31.045 3.304 -9.456 140 HA LEU 18 HA LEU 18 -29.669 2.012 -11.614 141 1HB LEU 18 2HB LEU 18 -30.063 5.002 -11.636 142 2HB LEU 18 1HB LEU 18 -28.711 4.231 -12.439 143 HG LEU 18 HG LEU 18 -30.785 2.823 -13.487 144 1HD1 LEU 18 1HD1 LEU 18 -32.223 4.651 -12.212 145 2HD1 LEU 18 3HD1 LEU 18 -31.878 5.573 -13.673 146 3HD1 LEU 18 2HD1 LEU 18 -32.699 4.016 -13.783 147 1HD2 LEU 18 1HD2 LEU 18 -29.297 5.238 -14.402 148 2HD2 LEU 18 3HD2 LEU 18 -29.208 3.575 -14.982 149 3HD2 LEU 18 2HD2 LEU 18 -30.591 4.585 -15.406 150 H ALA 19 H ALA 19 -27.300 2.733 -11.615 151 HA ALA 19 HA ALA 19 -26.218 2.379 -9.069 152 1HB ALA 19 3HB ALA 19 -25.151 2.124 -11.439 153 2HB ALA 19 2HB ALA 19 -24.648 3.795 -11.174 154 3HB ALA 19 1HB ALA 19 -24.143 2.532 -10.051 155 H ASN 20 H ASN 20 -26.365 3.707 -7.415 156 HA ASN 20 HA ASN 20 -25.272 6.273 -7.373 157 1HB ASN 20 2HB ASN 20 -27.111 7.071 -8.657 158 2HB ASN 20 1HB ASN 20 -28.271 6.170 -7.686 159 1HD2 ASN 20 2HD2 ASN 20 -26.571 9.074 -5.448 160 2HD2 ASN 20 1HD2 ASN 20 -25.655 7.773 -6.123 161 H GLN 21 H GLN 21 -28.323 5.864 -5.737 162 HA GLN 21 HA GLN 21 -27.382 6.239 -3.195 163 1HB GLN 21 2HB GLN 21 -29.811 6.023 -4.011 164 2HB GLN 21 1HB GLN 21 -29.616 4.294 -3.752 165 1HG GLN 21 2HG GLN 21 -30.492 4.863 -1.737 166 2HG GLN 21 1HG GLN 21 -28.784 5.122 -1.379 167 1HE2 GLN 21 2HE2 GLN 21 -29.223 8.433 -0.562 168 2HE2 GLN 21 1HE2 GLN 21 -28.292 6.981 -0.480 169 H CYS 22 H CYS 22 -27.952 3.082 -4.749 170 HA CYS 22 HA CYS 22 -26.930 1.505 -2.668 171 1HB CYS 22 2HB CYS 22 -28.246 0.882 -4.870 172 2HB CYS 22 1HB CYS 22 -26.626 0.634 -5.512 173 H ASN 23 H ASN 23 -25.364 2.492 -5.709 174 HA ASN 23 HA ASN 23 -22.853 1.433 -5.238 175 1HB ASN 23 2HB ASN 23 -24.049 3.150 -7.144 176 2HB ASN 23 1HB ASN 23 -22.599 3.980 -6.591 177 1HD2 ASN 23 2HD2 ASN 23 -20.736 2.184 -8.869 178 2HD2 ASN 23 1HD2 ASN 23 -21.195 3.704 -8.190 179 H TYR 24 H TYR 24 -23.670 4.885 -4.801 180 HA TYR 24 HA TYR 24 -21.418 5.667 -3.450 181 1HB TYR 24 2HB TYR 24 -22.602 7.568 -3.717 182 2HB TYR 24 1HB TYR 24 -24.123 6.694 -3.787 183 HD1 TYR 24 HD1 TYR 24 -21.605 7.271 -1.087 184 HD2 TYR 24 HD2 TYR 24 -25.658 7.603 -2.336 185 HE1 TYR 24 HE1 TYR 24 -22.205 8.156 1.122 186 HE2 TYR 24 HE2 TYR 24 -26.269 8.491 -0.126 187 HH TYR 24 HH TYR 24 -24.742 9.826 1.813 188 H ASP 25 H ASP 25 -24.388 4.314 -2.026 189 HA ASP 25 HA ASP 25 -23.679 4.483 0.649 190 1HB ASP 25 2HB ASP 25 -25.389 2.541 -0.880 191 2HB ASP 25 1HB ASP 25 -25.106 2.313 0.842 192 H CYS 26 H CYS 26 -23.311 1.573 -1.393 193 HA CYS 26 HA CYS 26 -21.767 0.125 0.405 194 1HB CYS 26 2HB CYS 26 -21.713 0.110 -2.622 195 2HB CYS 26 1HB CYS 26 -20.919 -1.094 -1.618 196 H LYS 27 H LYS 27 -20.821 2.483 -2.028 197 HA LYS 27 HA LYS 27 -18.050 2.206 -1.847 198 1HB LYS 27 2HB LYS 27 -19.683 3.641 -3.426 199 2HB LYS 27 1HB LYS 27 -19.151 4.921 -2.348 200 1HG LYS 27 2HG LYS 27 -17.435 5.136 -3.778 201 2HG LYS 27 1HG LYS 27 -16.782 3.712 -2.968 202 1HD LYS 27 2HD LYS 27 -17.852 2.280 -4.658 203 2HD LYS 27 1HD LYS 27 -18.472 3.719 -5.470 204 1HE LYS 27 2HE LYS 27 -15.766 2.557 -5.483 205 2HE LYS 27 1HE LYS 27 -16.586 3.529 -6.704 206 1HZ LYS 27 2HZ LYS 27 -15.377 4.595 -4.209 207 2HZ LYS 27 1HZ LYS 27 -14.663 4.661 -5.741 208 3HZ LYS 27 3HZ LYS 27 -16.096 5.506 -5.439 209 H LEU 28 H LEU 28 -19.937 2.869 0.710 210 HA LEU 28 HA LEU 28 -17.755 4.011 2.173 211 1HB LEU 28 2HB LEU 28 -19.285 5.861 0.901 212 2HB LEU 28 1HB LEU 28 -20.105 5.772 2.447 213 HG LEU 28 HG LEU 28 -17.824 6.170 3.518 214 1HD1 LEU 28 1HD1 LEU 28 -17.179 6.737 0.640 215 2HD1 LEU 28 3HD1 LEU 28 -16.273 7.455 1.971 216 3HD1 LEU 28 2HD1 LEU 28 -16.311 5.704 1.776 217 1HD2 LEU 28 2HD2 LEU 28 -19.580 7.869 3.383 218 2HD2 LEU 28 1HD2 LEU 28 -17.975 8.578 3.200 219 3HD2 LEU 28 3HD2 LEU 28 -19.001 8.339 1.786 220 H ASP 29 H ASP 29 -21.282 3.441 2.265 221 HA ASP 29 HA ASP 29 -21.390 3.155 5.081 222 1HB ASP 29 2HB ASP 29 -23.212 2.360 2.828 223 2HB ASP 29 1HB ASP 29 -23.548 1.815 4.467 224 H LYS 30 H LYS 30 -20.031 1.273 2.691 225 HA LYS 30 HA LYS 30 -19.640 -0.940 4.547 226 1HB LYS 30 2HB LYS 30 -21.392 -1.106 2.319 227 2HB LYS 30 1HB LYS 30 -19.971 -2.054 1.911 228 1HG LYS 30 2HG LYS 30 -21.656 -3.443 2.942 229 2HG LYS 30 1HG LYS 30 -20.236 -3.331 3.983 230 1HD LYS 30 2HD LYS 30 -21.328 -2.092 5.572 231 2HD LYS 30 1HD LYS 30 -22.443 -1.379 4.405 232 1HE LYS 30 2HE LYS 30 -23.920 -3.102 4.561 233 2HE LYS 30 1HE LYS 30 -22.656 -4.305 4.815 234 1HZ LYS 30 2HZ LYS 30 -22.463 -2.968 7.082 235 2HZ LYS 30 1HZ LYS 30 -24.099 -2.684 6.760 236 3HZ LYS 30 3HZ LYS 30 -23.524 -4.271 6.884 237 H HIS 31 H HIS 31 -18.274 1.381 2.920 238 HA HIS 31 HA HIS 31 -16.355 1.706 1.683 239 1HB HIS 31 2HB HIS 31 -14.391 0.519 2.955 240 2HB HIS 31 1HB HIS 31 -15.312 1.794 3.743 241 HD1 HIS 31 HD1 HIS 31 -14.662 -1.877 3.859 242 HD2 HIS 31 HD2 HIS 31 -16.917 0.961 5.887 243 HE1 HIS 31 HE1 HIS 31 -15.454 -3.021 5.951 244 HE2 HIS 31 HE2 HIS 31 -16.701 -1.242 7.226 245 H ALA 32 H ALA 32 -17.857 -0.196 0.384 246 HA ALA 32 HA ALA 32 -16.130 -2.446 -0.249 247 1HB ALA 32 2HB ALA 32 -18.954 -1.743 -0.690 248 2HB ALA 32 1HB ALA 32 -18.206 -2.658 -1.997 249 3HB ALA 32 3HB ALA 32 -18.218 -3.307 -0.358 250 H ARG 33 H ARG 33 -16.654 -2.803 -2.937 251 HA ARG 33 HA ARG 33 -14.986 -0.700 -4.103 252 1HB ARG 33 2HB ARG 33 -14.954 -3.491 -4.289 253 2HB ARG 33 1HB ARG 33 -15.559 -2.961 -5.852 254 1HG ARG 33 2HG ARG 33 -13.056 -1.860 -4.603 255 2HG ARG 33 1HG ARG 33 -13.071 -3.261 -5.677 256 1HD ARG 33 2HD ARG 33 -14.133 -1.867 -7.417 257 2HD ARG 33 1HD ARG 33 -14.011 -0.474 -6.343 258 HE ARG 33 HE ARG 33 -11.864 -0.245 -7.044 259 1HH1 ARG 33 1HH2 ARG 33 -12.761 -3.594 -7.391 260 2HH1 ARG 33 2HH2 ARG 33 -11.245 -4.060 -8.087 261 1HH2 ARG 33 2HH1 ARG 33 -9.868 -0.849 -7.960 262 2HH2 ARG 33 1HH1 ARG 33 -9.600 -2.500 -8.410 263 H SER 34 H SER 34 -18.125 -2.230 -4.424 264 HA SER 34 HA SER 34 -19.283 0.003 -5.692 265 1HB SER 34 2HB SER 34 -19.758 -0.982 -7.914 266 2HB SER 34 1HB SER 34 -18.032 -0.737 -7.655 267 HG SER 34 HG SER 34 -18.510 -2.802 -8.542 268 H GLY 35 H GLY 35 -21.267 -1.534 -7.218 269 1HA GLY 35 2HA GLY 35 -22.506 -3.635 -6.136 270 2HA GLY 35 1HA GLY 35 -22.837 -2.408 -4.929 271 H GLU 36 H GLU 36 -25.002 -3.390 -5.815 272 HA GLU 36 HA GLU 36 -26.406 -1.299 -7.030 273 1HB GLU 36 2HB GLU 36 -27.053 -2.444 -9.161 274 2HB GLU 36 1HB GLU 36 -25.384 -1.896 -9.113 275 1HG GLU 36 2HG GLU 36 -25.708 -4.640 -8.174 276 2HG GLU 36 1HG GLU 36 -26.237 -4.413 -9.838 277 H CYS 37 H CYS 37 -28.681 -2.174 -7.790 278 HA CYS 37 HA CYS 37 -29.593 -3.885 -5.622 279 1HB CYS 37 2HB CYS 37 -30.699 -1.687 -7.122 280 2HB CYS 37 1HB CYS 37 -31.808 -3.052 -7.170 281 H PHE 38 H PHE 38 -30.876 -5.730 -5.900 282 HA PHE 38 HA PHE 38 -31.209 -6.808 -8.584 283 1HB PHE 38 2HB PHE 38 -29.594 -8.193 -6.441 284 2HB PHE 38 1HB PHE 38 -30.239 -9.019 -7.851 285 HD1 PHE 38 HD1 PHE 38 -29.704 -7.621 -10.125 286 HD2 PHE 38 HD2 PHE 38 -27.377 -7.646 -6.562 287 HE1 PHE 38 HE1 PHE 38 -27.718 -6.978 -11.423 288 HE2 PHE 38 HE2 PHE 38 -25.385 -7.001 -7.853 289 HZ PHE 38 HZ PHE 38 -25.554 -6.667 -10.287 290 H TYR 39 H TYR 39 -32.861 -8.330 -8.749 291 HA TYR 39 HA TYR 39 -34.838 -8.186 -6.680 292 1HB TYR 39 2HB TYR 39 -34.705 -9.228 -9.446 293 2HB TYR 39 1HB TYR 39 -35.926 -9.935 -8.392 294 HD1 TYR 39 HD2 TYR 39 -34.711 -6.739 -9.818 295 HD2 TYR 39 HD1 TYR 39 -37.911 -8.764 -7.877 296 HE1 TYR 39 HE2 TYR 39 -36.177 -4.810 -10.238 297 HE2 TYR 39 HE1 TYR 39 -39.387 -6.839 -8.290 298 HH TYR 39 HH TYR 39 -39.397 -4.614 -8.871 299 H ASP 40 H ASP 40 -35.815 -9.895 -5.570 300 HA ASP 40 HA ASP 40 -33.994 -12.129 -5.007 301 1HB ASP 40 2HB ASP 40 -35.015 -12.306 -2.872 302 2HB ASP 40 1HB ASP 40 -34.789 -10.582 -3.151 303 H GLU 41 H GLU 41 -35.405 -14.091 -4.085 304 HA GLU 41 HA GLU 41 -36.635 -15.217 -6.343 305 1HB GLU 41 2HB GLU 41 -37.070 -16.286 -3.577 306 2HB GLU 41 1HB GLU 41 -36.900 -17.173 -5.085 307 1HG GLU 41 2HG GLU 41 -34.496 -16.181 -5.080 308 2HG GLU 41 1HG GLU 41 -34.800 -15.954 -3.358 309 H LYS 42 H LYS 42 -37.891 -13.008 -4.202 310 HA LYS 42 HA LYS 42 -40.626 -14.011 -4.467 311 1HB LYS 42 2HB LYS 42 -39.271 -12.640 -2.422 312 2HB LYS 42 1HB LYS 42 -40.371 -11.450 -3.089 313 1HG LYS 42 2HG LYS 42 -41.948 -13.740 -2.777 314 2HG LYS 42 1HG LYS 42 -40.920 -13.709 -1.348 315 1HD LYS 42 2HD LYS 42 -42.756 -12.456 -0.693 316 2HD LYS 42 1HD LYS 42 -41.612 -11.215 -1.205 317 1HE LYS 42 2HE LYS 42 -42.942 -11.793 -3.544 318 2HE LYS 42 1HE LYS 42 -44.214 -11.951 -2.333 319 1HZ LYS 42 3HZ LYS 42 -43.411 -9.709 -1.498 320 2HZ LYS 42 2HZ LYS 42 -42.559 -9.580 -2.955 321 3HZ LYS 42 1HZ LYS 42 -44.245 -9.722 -2.970 322 H ARG 43 H ARG 43 -39.467 -10.680 -4.496 323 HA ARG 43 HA ARG 43 -39.693 -10.034 -7.161 324 1HB ARG 43 2HB ARG 43 -42.233 -10.698 -6.375 325 2HB ARG 43 1HB ARG 43 -42.232 -8.974 -6.071 326 1HG ARG 43 2HG ARG 43 -43.025 -9.167 -8.241 327 2HG ARG 43 1HG ARG 43 -41.327 -8.733 -8.447 328 1HD ARG 43 2HD ARG 43 -41.415 -10.466 -9.918 329 2HD ARG 43 1HD ARG 43 -41.068 -11.387 -8.456 330 HE ARG 43 HE ARG 43 -43.626 -11.590 -8.352 331 1HH1 ARG 43 1HH2 ARG 43 -41.735 -11.511 -11.278 332 2HH1 ARG 43 2HH2 ARG 43 -42.896 -12.402 -12.203 333 1HH2 ARG 43 2HH1 ARG 43 -45.164 -12.754 -9.568 334 2HH2 ARG 43 1HH1 ARG 43 -44.843 -13.108 -11.233 335 H ASN 44 H ASN 44 -38.312 -9.296 -4.707 336 HA ASN 44 HA ASN 44 -38.796 -6.384 -4.781 337 1HB ASN 44 2HB ASN 44 -38.250 -8.134 -2.386 338 2HB ASN 44 1HB ASN 44 -38.005 -6.390 -2.358 339 1HD2 ASN 44 2HD2 ASN 44 -41.290 -5.791 -1.545 340 2HD2 ASN 44 1HD2 ASN 44 -39.617 -5.368 -1.442 341 H LEU 45 H LEU 45 -37.004 -5.063 -4.747 342 HA LEU 45 HA LEU 45 -34.510 -6.374 -5.461 343 1HB LEU 45 2HB LEU 45 -33.931 -3.759 -5.729 344 2HB LEU 45 1HB LEU 45 -34.684 -4.725 -6.985 345 HG LEU 45 HG LEU 45 -36.408 -3.261 -5.022 346 1HD1 LEU 45 1HD1 LEU 45 -34.737 -2.077 -7.172 347 2HD1 LEU 45 3HD1 LEU 45 -36.396 -1.499 -7.013 348 3HD1 LEU 45 2HD1 LEU 45 -35.288 -1.382 -5.648 349 1HD2 LEU 45 1HD2 LEU 45 -37.112 -5.001 -6.859 350 2HD2 LEU 45 3HD2 LEU 45 -38.071 -3.548 -6.576 351 3HD2 LEU 45 2HD2 LEU 45 -36.946 -3.611 -7.933 352 H GLN 46 H GLN 46 -32.545 -5.998 -4.489 353 HA GLN 46 HA GLN 46 -32.520 -4.597 -1.916 354 1HB GLN 46 2HB GLN 46 -31.883 -7.509 -2.362 355 2HB GLN 46 1HB GLN 46 -31.151 -6.617 -1.037 356 1HG GLN 46 2HG GLN 46 -33.379 -6.101 -0.164 357 2HG GLN 46 1HG GLN 46 -34.100 -7.018 -1.486 358 1HE2 GLN 46 2HE2 GLN 46 -33.421 -8.938 1.801 359 2HE2 GLN 46 1HE2 GLN 46 -33.815 -7.270 1.589 360 H CYS 47 H CYS 47 -30.472 -3.857 -1.307 361 HA CYS 47 HA CYS 47 -28.690 -3.308 -3.450 362 1HB CYS 47 2HB CYS 47 -29.037 -2.493 -0.674 363 2HB CYS 47 1HB CYS 47 -27.340 -2.602 -1.129 364 H ILE 48 H ILE 48 -26.643 -4.003 -3.868 365 HA ILE 48 HA ILE 48 -25.528 -6.183 -2.256 366 HB ILE 48 HB ILE 48 -26.104 -6.262 -5.204 367 1HG1 ILE 48 2HG1 ILE 48 -26.675 -8.670 -4.527 368 2HG1 ILE 48 1HG1 ILE 48 -26.542 -8.116 -2.863 369 1HG2 ILE 48 2HG2 ILE 48 -23.846 -7.583 -3.758 370 2HG2 ILE 48 1HG2 ILE 48 -24.605 -8.375 -5.140 371 3HG2 ILE 48 3HG2 ILE 48 -23.855 -6.790 -5.333 372 1HD1 ILE 48 3HD1 ILE 48 -28.271 -6.472 -4.559 373 2HD1 ILE 48 2HD1 ILE 48 -28.817 -8.130 -4.320 374 3HD1 ILE 48 1HD1 ILE 48 -28.527 -7.092 -2.929 375 H CYS 49 H CYS 49 -23.616 -5.531 -1.590 376 HA CYS 49 HA CYS 49 -22.136 -3.544 -3.120 377 1HB CYS 49 2HB CYS 49 -21.490 -4.742 -0.423 378 2HB CYS 49 1HB CYS 49 -20.745 -3.321 -1.146 379 H ASP 50 H ASP 50 -20.507 -4.015 -4.418 380 HA ASP 50 HA ASP 50 -19.413 -6.725 -4.428 381 1HB ASP 50 2HB ASP 50 -20.201 -5.269 -6.509 382 2HB ASP 50 1HB ASP 50 -18.557 -4.650 -6.401 383 H TYR 51 H TYR 51 -17.485 -7.201 -3.625 384 HA TYR 51 HA TYR 51 -15.786 -4.993 -2.692 385 1HB TYR 51 2HB TYR 51 -16.221 -7.809 -1.771 386 2HB TYR 51 1HB TYR 51 -14.753 -6.944 -1.317 387 HD1 TYR 51 HD2 TYR 51 -18.468 -6.838 -1.106 388 HD2 TYR 51 HD1 TYR 51 -14.780 -5.343 0.412 389 HE1 TYR 51 HE2 TYR 51 -19.674 -5.714 0.700 390 HE2 TYR 51 HE1 TYR 51 -15.984 -4.224 2.241 391 HH TYR 51 HH TYR 51 -19.526 -4.340 2.452 392 H CYS 52 H CYS 52 -15.931 -7.087 -5.251 393 HA CYS 52 HA CYS 52 -12.986 -7.191 -5.501 394 1HB CYS 52 2HB CYS 52 -15.126 -9.073 -6.426 395 2HB CYS 52 1HB CYS 52 -13.594 -9.001 -7.283 396 H GLU 53 H GLU 53 -14.812 -8.033 -8.235 397 HA GLU 53 HA GLU 53 -15.077 -5.447 -9.400 398 1HB GLU 53 2HB GLU 53 -12.503 -6.322 -9.435 399 2HB GLU 53 1HB GLU 53 -13.080 -6.987 -10.955 400 1HG GLU 53 2HG GLU 53 -13.273 -4.094 -10.147 401 2HG GLU 53 1HG GLU 53 -12.034 -4.776 -11.197 402 H TYR 54 HN TYR 54 -14.477 -6.607 -12.109 403 HA TYR 54 HA TYR 54 -15.827 -7.399 -13.784 404 1HB TYR 54 2HB TYR 54 -15.682 -9.702 -11.840 405 2HB TYR 54 1HB TYR 54 -16.381 -9.854 -13.449 406 HD1 TYR 54 HD1 TYR 54 -14.715 -8.682 -15.310 407 HD2 TYR 54 HD2 TYR 54 -13.545 -10.522 -11.656 408 HE1 TYR 54 HE1 TYR 54 -12.478 -9.098 -16.241 409 HE2 TYR 54 HE2 TYR 54 -11.304 -10.942 -12.579 410 HH TYR 54 HH TYR 54 -10.513 -10.110 -15.931 No H/Q in entry = 410 Start of MODEL 3 1 HN PCA 1 HN PCA 1 -11.751 -15.558 -1.529 2 HA PCA 1 HA PCA 1 -11.235 -17.720 -2.715 3 1HB PCA 1 1HB PCA 1 -11.273 -19.504 -1.320 4 2HB PCA 1 2HB PCA 1 -13.050 -19.477 -1.402 5 1HG PCA 1 1HG PCA 1 -11.420 -18.781 0.831 6 2HG PCA 1 2HG PCA 1 -13.167 -18.523 0.673 7 H ASP 2 H ASP 2 -12.465 -16.064 -3.990 8 HA ASP 2 HA ASP 2 -14.030 -15.836 -5.645 9 1HB ASP 2 2HB ASP 2 -15.373 -17.582 -6.204 10 2HB ASP 2 1HB ASP 2 -14.412 -18.444 -5.012 11 H LYS 3 H LYS 3 -16.856 -15.935 -5.366 12 HA LYS 3 HA LYS 3 -18.557 -14.568 -4.734 13 1HB LYS 3 2HB LYS 3 -17.314 -15.541 -2.268 14 2HB LYS 3 1HB LYS 3 -18.200 -14.041 -2.037 15 1HG LYS 3 2HG LYS 3 -19.454 -16.336 -3.486 16 2HG LYS 3 1HG LYS 3 -19.424 -16.287 -1.722 17 1HD LYS 3 2HD LYS 3 -20.874 -14.523 -1.609 18 2HD LYS 3 1HD LYS 3 -20.349 -13.853 -3.155 19 1HE LYS 3 2HE LYS 3 -21.854 -16.442 -3.031 20 2HE LYS 3 1HE LYS 3 -22.706 -14.900 -2.982 21 1HZ LYS 3 2HZ LYS 3 -20.897 -14.730 -5.068 22 2HZ LYS 3 1HZ LYS 3 -21.616 -16.254 -5.209 23 3HZ LYS 3 3HZ LYS 3 -22.579 -14.863 -5.178 24 H CYS 4 H CYS 4 -19.155 -12.420 -4.278 25 HA CYS 4 HA CYS 4 -17.201 -10.463 -3.501 26 1HB CYS 4 2HB CYS 4 -17.365 -11.154 -6.240 27 2HB CYS 4 1HB CYS 4 -18.121 -9.575 -6.089 28 H LYS 5 H LYS 5 -20.391 -11.351 -4.516 29 HA LYS 5 HA LYS 5 -21.500 -8.717 -3.992 30 1HB LYS 5 2HB LYS 5 -23.004 -11.254 -4.620 31 2HB LYS 5 1HB LYS 5 -23.560 -9.603 -4.824 32 1HG LYS 5 2HG LYS 5 -21.121 -10.275 -6.331 33 2HG LYS 5 1HG LYS 5 -22.558 -11.170 -6.819 34 1HD LYS 5 2HD LYS 5 -22.880 -8.241 -6.458 35 2HD LYS 5 1HD LYS 5 -21.903 -8.766 -7.827 36 1HE LYS 5 2HE LYS 5 -24.304 -8.458 -8.377 37 2HE LYS 5 1HE LYS 5 -23.704 -10.085 -8.694 38 1HZ LYS 5 3HZ LYS 5 -24.644 -10.147 -6.113 39 2HZ LYS 5 2HZ LYS 5 -25.799 -9.248 -6.963 40 3HZ LYS 5 1HZ LYS 5 -25.394 -10.808 -7.478 41 H LYS 6 H LYS 6 -22.651 -8.131 -2.224 42 HA LYS 6 HA LYS 6 -23.559 -10.140 -0.330 43 1HB LYS 6 2HB LYS 6 -21.723 -7.939 0.605 44 2HB LYS 6 1HB LYS 6 -22.377 -9.259 1.560 45 1HG LYS 6 2HG LYS 6 -21.086 -10.844 0.154 46 2HG LYS 6 1HG LYS 6 -20.347 -9.456 -0.652 47 1HD LYS 6 2HD LYS 6 -19.504 -8.678 1.537 48 2HD LYS 6 1HD LYS 6 -20.177 -10.128 2.285 49 1HE LYS 6 2HE LYS 6 -17.936 -9.917 0.295 50 2HE LYS 6 1HE LYS 6 -17.894 -10.595 1.923 51 1HZ LYS 6 2HZ LYS 6 -19.361 -12.376 1.154 52 2HZ LYS 6 1HZ LYS 6 -19.329 -11.737 -0.412 53 3HZ LYS 6 3HZ LYS 6 -17.911 -12.344 0.283 54 H VAL 7 H VAL 7 -25.522 -9.597 0.334 55 HA VAL 7 HA VAL 7 -26.781 -7.198 -0.364 56 HB VAL 7 HB VAL 7 -28.695 -8.071 0.502 57 1HG1 VAL 7 3HG1 VAL 7 -27.394 -9.816 -0.827 58 2HG1 VAL 7 2HG1 VAL 7 -27.108 -10.603 0.727 59 3HG1 VAL 7 1HG1 VAL 7 -28.756 -10.376 0.142 60 1HG2 VAL 7 3HG2 VAL 7 -27.031 -9.002 2.819 61 2HG2 VAL 7 2HG2 VAL 7 -28.394 -7.883 2.810 62 3HG2 VAL 7 1HG2 VAL 7 -28.668 -9.608 2.565 63 H TYR 8 H TYR 8 -27.382 -5.381 0.793 64 HA TYR 8 HA TYR 8 -25.639 -4.764 3.042 65 1HB TYR 8 2HB TYR 8 -25.718 -3.128 1.270 66 2HB TYR 8 1HB TYR 8 -27.469 -3.047 1.361 67 HD1 TYR 8 HD2 TYR 8 -25.836 -3.193 4.592 68 HD2 TYR 8 HD1 TYR 8 -27.050 -0.571 1.464 69 HE1 TYR 8 HE2 TYR 8 -25.672 -1.291 6.128 70 HE2 TYR 8 HE1 TYR 8 -26.884 1.339 2.999 71 HH TYR 8 HH TYR 8 -27.036 1.621 5.608 72 H GLU 9 H GLU 9 -26.864 -6.268 4.412 73 HA GLU 9 HA GLU 9 -28.749 -6.890 5.669 74 1HB GLU 9 2HB GLU 9 -27.910 -4.270 6.901 75 2HB GLU 9 1HB GLU 9 -28.596 -5.663 7.725 76 1HG GLU 9 2HG GLU 9 -26.640 -6.907 7.510 77 2HG GLU 9 1HG GLU 9 -26.007 -5.863 6.238 78 H ASN 10 H ASN 10 -30.788 -6.886 5.089 79 HA ASN 10 HA ASN 10 -32.684 -5.947 3.997 80 1HB ASN 10 2HB ASN 10 -32.804 -6.552 6.580 81 2HB ASN 10 1HB ASN 10 -33.144 -4.831 6.723 82 1HD2 ASN 10 2HD2 ASN 10 -36.432 -5.126 5.744 83 2HD2 ASN 10 1HD2 ASN 10 -35.160 -4.184 6.436 84 H TYR 11 H TYR 11 -31.035 -4.229 3.002 85 HA TYR 11 HA TYR 11 -30.954 -1.593 3.828 86 1HB TYR 11 2HB TYR 11 -29.634 -2.444 1.973 87 2HB TYR 11 1HB TYR 11 -31.097 -2.695 1.026 88 HD1 TYR 11 HD2 TYR 11 -29.161 0.000 2.725 89 HD2 TYR 11 HD1 TYR 11 -31.830 -1.034 -0.421 90 HE1 TYR 11 HE2 TYR 11 -28.950 2.273 1.810 91 HE2 TYR 11 HE1 TYR 11 -31.629 1.236 -1.346 92 HH TYR 11 HH TYR 11 -29.239 3.339 -0.552 93 HA PRO 12 HA PRO 12 -35.438 -0.688 3.744 94 1HB PRO 12 2HB PRO 12 -34.238 2.053 3.801 95 2HB PRO 12 1HB PRO 12 -35.595 1.400 4.729 96 1HG PRO 12 2HG PRO 12 -33.202 1.694 5.855 97 2HG PRO 12 1HG PRO 12 -34.212 0.283 6.217 98 1HD PRO 12 2HD PRO 12 -31.767 0.479 4.533 99 2HD PRO 12 1HD PRO 12 -32.366 -0.881 5.502 100 H VAL 13 H VAL 13 -36.395 -0.890 1.828 101 HA VAL 13 HA VAL 13 -35.328 -0.140 -0.645 102 HB VAL 13 HB VAL 13 -38.289 -0.370 -0.235 103 1HG1 VAL 13 1HG1 VAL 13 -36.400 -1.290 -2.400 104 2HG1 VAL 13 3HG1 VAL 13 -38.145 -1.548 -2.394 105 3HG1 VAL 13 2HG1 VAL 13 -37.496 0.090 -2.478 106 1HG2 VAL 13 1HG2 VAL 13 -36.266 -2.596 -0.068 107 2HG2 VAL 13 3HG2 VAL 13 -37.488 -2.150 1.123 108 3HG2 VAL 13 2HG2 VAL 13 -37.975 -2.859 -0.417 109 H SER 14 H SER 14 -35.114 2.141 0.965 110 HA SER 14 HA SER 14 -37.155 4.040 0.543 111 1HB SER 14 2HB SER 14 -35.643 5.651 1.379 112 2HB SER 14 1HB SER 14 -35.176 4.153 2.183 113 HG SER 14 HG SER 14 -33.776 4.145 0.026 114 H LYS 15 H LYS 15 -34.451 2.999 -1.417 115 HA LYS 15 HA LYS 15 -35.566 4.029 -3.792 116 1HB LYS 15 2HB LYS 15 -33.967 5.877 -2.284 117 2HB LYS 15 1HB LYS 15 -33.120 5.498 -3.775 118 1HG LYS 15 2HG LYS 15 -35.397 5.991 -4.907 119 2HG LYS 15 1HG LYS 15 -35.779 6.804 -3.388 120 1HD LYS 15 2HD LYS 15 -34.861 8.571 -4.494 121 2HD LYS 15 1HD LYS 15 -33.377 7.883 -3.830 122 1HE LYS 15 2HE LYS 15 -32.808 8.184 -6.045 123 2HE LYS 15 1HE LYS 15 -33.350 6.507 -6.040 124 1HZ LYS 15 3HZ LYS 15 -35.353 8.561 -6.578 125 2HZ LYS 15 2HZ LYS 15 -34.219 8.256 -7.795 126 3HZ LYS 15 1HZ LYS 15 -35.201 7.003 -7.222 127 H CYS 16 H CYS 16 -34.595 3.127 -5.586 128 HA CYS 16 HA CYS 16 -31.949 2.129 -5.626 129 1HB CYS 16 2HB CYS 16 -34.057 0.377 -4.568 130 2HB CYS 16 1HB CYS 16 -33.070 -0.365 -5.820 131 H GLN 17 H GLN 17 -34.729 3.000 -7.166 132 HA GLN 17 HA GLN 17 -34.396 1.335 -9.508 133 1HB GLN 17 2HB GLN 17 -36.338 3.465 -8.690 134 2HB GLN 17 1HB GLN 17 -36.248 2.947 -10.369 135 1HG GLN 17 2HG GLN 17 -37.171 0.922 -9.942 136 2HG GLN 17 1HG GLN 17 -36.453 0.816 -8.336 137 1HE2 GLN 17 2HE2 GLN 17 -39.767 1.203 -7.258 138 2HE2 GLN 17 1HE2 GLN 17 -38.483 0.088 -7.563 139 H LEU 18 H LEU 18 -32.077 2.701 -9.099 140 HA LEU 18 HA LEU 18 -31.739 4.061 -11.560 141 1HB LEU 18 2HB LEU 18 -32.284 5.660 -9.179 142 2HB LEU 18 1HB LEU 18 -30.775 6.111 -9.945 143 HG LEU 18 HG LEU 18 -33.304 5.886 -11.523 144 1HD1 LEU 18 3HD1 LEU 18 -32.297 8.241 -9.946 145 2HD1 LEU 18 2HD1 LEU 18 -33.481 8.365 -11.246 146 3HD1 LEU 18 1HD1 LEU 18 -33.858 7.433 -9.797 147 1HD2 LEU 18 2HD2 LEU 18 -30.845 6.072 -12.444 148 2HD2 LEU 18 1HD2 LEU 18 -32.171 6.964 -13.191 149 3HD2 LEU 18 3HD2 LEU 18 -31.081 7.780 -12.072 150 H ALA 19 H ALA 19 -29.857 5.114 -8.830 151 HA ALA 19 HA ALA 19 -27.929 3.165 -8.547 152 1HB ALA 19 2HB ALA 19 -27.721 4.585 -11.104 153 2HB ALA 19 1HB ALA 19 -26.225 4.581 -10.173 154 3HB ALA 19 3HB ALA 19 -27.002 3.057 -10.601 155 H ASN 20 H ASN 20 -25.579 4.598 -8.453 156 HA ASN 20 HA ASN 20 -24.431 6.004 -7.113 157 1HB ASN 20 2HB ASN 20 -26.176 7.587 -8.520 158 2HB ASN 20 1HB ASN 20 -26.543 8.047 -6.861 159 1HD2 ASN 20 2HD2 ASN 20 -23.722 9.991 -6.475 160 2HD2 ASN 20 1HD2 ASN 20 -25.242 9.436 -5.868 161 H GLN 21 H GLN 21 -27.729 6.783 -5.997 162 HA GLN 21 HA GLN 21 -27.364 7.018 -3.353 163 1HB GLN 21 2HB GLN 21 -29.568 6.845 -4.791 164 2HB GLN 21 1HB GLN 21 -29.586 5.194 -4.189 165 1HG GLN 21 2HG GLN 21 -29.958 7.753 -2.726 166 2HG GLN 21 1HG GLN 21 -30.866 6.246 -2.616 167 1HE2 GLN 21 2HE2 GLN 21 -27.846 7.021 -0.096 168 2HE2 GLN 21 1HE2 GLN 21 -28.415 8.148 -1.276 169 H CYS 22 H CYS 22 -28.421 3.852 -4.558 170 HA CYS 22 HA CYS 22 -27.485 2.416 -2.324 171 1HB CYS 22 2HB CYS 22 -29.246 1.608 -3.864 172 2HB CYS 22 1HB CYS 22 -28.037 1.413 -5.127 173 H ASN 23 H ASN 23 -26.129 2.933 -5.550 174 HA ASN 23 HA ASN 23 -23.865 1.323 -5.360 175 1HB ASN 23 2HB ASN 23 -24.939 2.870 -7.299 176 2HB ASN 23 1HB ASN 23 -23.584 3.893 -6.825 177 1HD2 ASN 23 2HD2 ASN 23 -21.409 0.874 -7.519 178 2HD2 ASN 23 1HD2 ASN 23 -21.954 1.585 -6.041 179 H TYR 24 H TYR 24 -23.617 4.880 -5.281 180 HA TYR 24 HA TYR 24 -21.158 5.124 -4.154 181 1HB TYR 24 2HB TYR 24 -21.793 7.268 -4.455 182 2HB TYR 24 1HB TYR 24 -23.494 6.836 -4.392 183 HD1 TYR 24 HD2 TYR 24 -20.601 7.244 -2.074 184 HD2 TYR 24 HD1 TYR 24 -24.768 7.793 -2.721 185 HE1 TYR 24 HE2 TYR 24 -20.784 8.353 0.105 186 HE2 TYR 24 HE1 TYR 24 -24.964 8.907 -0.541 187 HH TYR 24 HH TYR 24 -22.337 8.968 1.740 188 H ASP 25 H ASP 25 -24.200 4.527 -2.453 189 HA ASP 25 HA ASP 25 -23.311 4.747 0.162 190 1HB ASP 25 2HB ASP 25 -25.472 3.213 -1.187 191 2HB ASP 25 1HB ASP 25 -25.052 2.721 0.448 192 H CYS 26 H CYS 26 -23.522 1.709 -1.712 193 HA CYS 26 HA CYS 26 -22.139 0.134 0.090 194 1HB CYS 26 2HB CYS 26 -22.074 0.005 -2.935 195 2HB CYS 26 1HB CYS 26 -21.504 -1.273 -1.872 196 H LYS 27 H LYS 27 -20.909 2.092 -2.573 197 HA LYS 27 HA LYS 27 -18.198 1.503 -2.268 198 1HB LYS 27 2HB LYS 27 -19.666 2.909 -4.061 199 2HB LYS 27 1HB LYS 27 -18.857 4.221 -3.216 200 1HG LYS 27 2HG LYS 27 -16.713 3.373 -3.781 201 2HG LYS 27 1HG LYS 27 -17.398 1.861 -4.378 202 1HD LYS 27 2HD LYS 27 -18.554 3.120 -6.156 203 2HD LYS 27 1HD LYS 27 -17.788 4.601 -5.579 204 1HE LYS 27 2HE LYS 27 -15.591 3.671 -6.054 205 2HE LYS 27 1HE LYS 27 -16.328 2.157 -6.575 206 1HZ LYS 27 2HZ LYS 27 -16.873 4.770 -7.868 207 2HZ LYS 27 1HZ LYS 27 -15.687 3.691 -8.408 208 3HZ LYS 27 3HZ LYS 27 -17.317 3.236 -8.426 209 H LEU 28 H LEU 28 -19.859 2.612 0.228 210 HA LEU 28 HA LEU 28 -17.553 3.801 1.427 211 1HB LEU 28 2HB LEU 28 -18.744 5.614 -0.037 212 2HB LEU 28 1HB LEU 28 -19.853 5.702 1.318 213 HG LEU 28 HG LEU 28 -16.922 5.944 1.860 214 1HD1 LEU 28 1HD1 LEU 28 -17.349 7.444 -0.048 215 2HD1 LEU 28 3HD1 LEU 28 -18.634 8.221 0.878 216 3HD1 LEU 28 2HD1 LEU 28 -16.962 8.319 1.432 217 1HD2 LEU 28 2HD2 LEU 28 -18.945 5.898 3.538 218 2HD2 LEU 28 1HD2 LEU 28 -17.581 6.984 3.792 219 3HD2 LEU 28 3HD2 LEU 28 -19.076 7.596 3.083 220 H ASP 29 H ASP 29 -21.057 3.255 1.692 221 HA ASP 29 HA ASP 29 -21.162 3.647 4.493 222 1HB ASP 29 2HB ASP 29 -23.019 3.013 2.437 223 2HB ASP 29 1HB ASP 29 -23.186 1.765 3.663 224 H LYS 30 H LYS 30 -19.828 1.170 2.630 225 HA LYS 30 HA LYS 30 -19.389 -0.425 5.035 226 1HB LYS 30 2HB LYS 30 -20.522 -1.513 2.456 227 2HB LYS 30 1HB LYS 30 -19.810 -2.528 3.702 228 1HG LYS 30 2HG LYS 30 -22.059 -0.656 4.341 229 2HG LYS 30 1HG LYS 30 -22.364 -2.243 3.634 230 1HD LYS 30 2HD LYS 30 -20.569 -2.114 5.999 231 2HD LYS 30 1HD LYS 30 -22.292 -1.847 6.267 232 1HE LYS 30 2HE LYS 30 -22.804 -3.976 5.211 233 2HE LYS 30 1HE LYS 30 -21.093 -4.237 4.870 234 1HZ LYS 30 1HZ LYS 30 -22.191 -3.915 7.607 235 2HZ LYS 30 3HZ LYS 30 -21.943 -5.417 6.867 236 3HZ LYS 30 2HZ LYS 30 -20.628 -4.399 7.180 237 H HIS 31 H HIS 31 -18.107 1.215 2.578 238 HA HIS 31 HA HIS 31 -16.043 1.329 1.633 239 1HB HIS 31 2HB HIS 31 -15.142 -0.889 3.463 240 2HB HIS 31 1HB HIS 31 -14.195 0.444 2.807 241 HD1 HIS 31 HD1 HIS 31 -14.709 -0.380 5.914 242 HD2 HIS 31 HD2 HIS 31 -16.303 2.838 3.825 243 HE1 HIS 31 HE1 HIS 31 -15.336 1.316 7.664 244 HE2 HIS 31 HE2 HIS 31 -16.208 3.293 6.368 245 H ALA 32 H ALA 32 -17.917 -0.199 0.324 246 HA ALA 32 HA ALA 32 -16.656 -2.685 -0.489 247 1HB ALA 32 1HB ALA 32 -19.258 -2.015 -0.229 248 2HB ALA 32 3HB ALA 32 -19.040 -1.728 -1.955 249 3HB ALA 32 2HB ALA 32 -18.689 -3.315 -1.272 250 H ARG 33 H ARG 33 -16.981 -3.010 -3.053 251 HA ARG 33 HA ARG 33 -15.212 -1.030 -4.253 252 1HB ARG 33 2HB ARG 33 -14.707 -3.472 -4.417 253 2HB ARG 33 1HB ARG 33 -16.176 -3.672 -5.360 254 1HG ARG 33 2HG ARG 33 -14.616 -3.529 -7.023 255 2HG ARG 33 1HG ARG 33 -15.120 -1.845 -6.888 256 1HD ARG 33 2HD ARG 33 -12.963 -1.314 -6.602 257 2HD ARG 33 1HD ARG 33 -13.021 -2.134 -5.047 258 HE ARG 33 HE ARG 33 -12.232 -4.137 -6.173 259 1HH1 ARG 33 1HH2 ARG 33 -11.898 -1.123 -7.914 260 2HH1 ARG 33 2HH2 ARG 33 -10.645 -1.720 -8.945 261 1HH2 ARG 33 2HH1 ARG 33 -10.588 -4.911 -7.536 262 2HH2 ARG 33 1HH1 ARG 33 -9.901 -3.864 -8.731 263 H SER 34 H SER 34 -18.421 -2.388 -4.581 264 HA SER 34 HA SER 34 -19.450 -0.105 -5.897 265 1HB SER 34 2HB SER 34 -20.009 -1.147 -8.079 266 2HB SER 34 1HB SER 34 -18.266 -0.993 -7.850 267 HG SER 34 HG SER 34 -19.788 -3.345 -7.377 268 H GLY 35 H GLY 35 -21.592 -1.417 -7.290 269 1HA GLY 35 2HA GLY 35 -22.918 -3.477 -6.251 270 2HA GLY 35 1HA GLY 35 -23.083 -2.310 -4.951 271 H GLU 36 H GLU 36 -25.326 -3.175 -5.849 272 HA GLU 36 HA GLU 36 -26.726 -0.929 -6.705 273 1HB GLU 36 2HB GLU 36 -27.522 -1.872 -8.945 274 2HB GLU 36 1HB GLU 36 -25.924 -1.143 -8.908 275 1HG GLU 36 2HG GLU 36 -25.237 -3.679 -8.421 276 2HG GLU 36 1HG GLU 36 -26.720 -3.957 -9.329 277 H CYS 37 H CYS 37 -29.059 -1.488 -7.178 278 HA CYS 37 HA CYS 37 -29.812 -3.617 -5.364 279 1HB CYS 37 2HB CYS 37 -30.973 -1.122 -6.272 280 2HB CYS 37 1HB CYS 37 -32.155 -2.427 -6.300 281 H PHE 38 H PHE 38 -31.164 -5.334 -5.828 282 HA PHE 38 HA PHE 38 -31.885 -5.800 -8.623 283 1HB PHE 38 2HB PHE 38 -30.051 -7.562 -7.013 284 2HB PHE 38 1HB PHE 38 -30.981 -8.190 -8.363 285 HD1 PHE 38 HD1 PHE 38 -30.786 -6.456 -10.509 286 HD2 PHE 38 HD2 PHE 38 -27.857 -7.162 -7.500 287 HE1 PHE 38 HE1 PHE 38 -29.018 -5.740 -12.062 288 HE2 PHE 38 HE2 PHE 38 -26.088 -6.448 -9.046 289 HZ PHE 38 HZ PHE 38 -26.665 -5.732 -11.330 290 H TYR 39 H TYR 39 -33.326 -7.606 -8.917 291 HA TYR 39 HA TYR 39 -35.165 -7.874 -6.669 292 1HB TYR 39 2HB TYR 39 -35.368 -8.074 -9.625 293 2HB TYR 39 1HB TYR 39 -36.450 -9.104 -8.696 294 HD1 TYR 39 HD1 TYR 39 -38.075 -8.073 -7.120 295 HD2 TYR 39 HD2 TYR 39 -35.754 -5.735 -9.812 296 HE1 TYR 39 HE1 TYR 39 -39.648 -6.203 -6.842 297 HE2 TYR 39 HE2 TYR 39 -37.322 -3.854 -9.541 298 HH TYR 39 HH TYR 39 -40.311 -4.106 -8.400 299 H ASP 40 H ASP 40 -33.973 -9.416 -5.419 300 HA ASP 40 HA ASP 40 -32.797 -11.732 -6.204 301 1HB ASP 40 2HB ASP 40 -34.373 -12.372 -3.879 302 2HB ASP 40 1HB ASP 40 -32.648 -12.042 -3.981 303 H GLU 41 H GLU 41 -33.632 -14.020 -5.951 304 HA GLU 41 HA GLU 41 -35.605 -14.473 -7.892 305 1HB GLU 41 2HB GLU 41 -33.684 -16.008 -7.075 306 2HB GLU 41 1HB GLU 41 -34.835 -16.542 -5.856 307 1HG GLU 41 2HG GLU 41 -36.401 -16.923 -7.902 308 2HG GLU 41 1HG GLU 41 -34.892 -16.926 -8.812 309 H LYS 42 H LYS 42 -36.124 -13.344 -4.859 310 HA LYS 42 HA LYS 42 -38.689 -14.775 -4.559 311 1HB LYS 42 2HB LYS 42 -37.186 -13.191 -2.479 312 2HB LYS 42 1HB LYS 42 -38.641 -14.143 -2.221 313 1HG LYS 42 2HG LYS 42 -37.414 -16.176 -2.816 314 2HG LYS 42 1HG LYS 42 -35.949 -15.217 -3.040 315 1HD LYS 42 2HD LYS 42 -37.499 -15.583 -0.481 316 2HD LYS 42 1HD LYS 42 -35.912 -16.255 -0.860 317 1HE LYS 42 2HE LYS 42 -35.250 -14.431 0.334 318 2HE LYS 42 1HE LYS 42 -35.349 -13.688 -1.261 319 1HZ LYS 42 3HZ LYS 42 -37.881 -13.520 -0.162 320 2HZ LYS 42 2HZ LYS 42 -36.818 -13.079 1.077 321 3HZ LYS 42 1HZ LYS 42 -36.782 -12.256 -0.400 322 H ARG 43 H ARG 43 -37.906 -12.272 -6.196 323 HA ARG 43 HA ARG 43 -38.907 -10.330 -6.824 324 1HB ARG 43 2HB ARG 43 -41.060 -11.926 -5.593 325 2HB ARG 43 1HB ARG 43 -41.396 -10.205 -5.688 326 1HG ARG 43 2HG ARG 43 -42.282 -11.300 -7.624 327 2HG ARG 43 1HG ARG 43 -40.929 -10.276 -8.106 328 1HD ARG 43 2HD ARG 43 -39.492 -12.133 -8.370 329 2HD ARG 43 1HD ARG 43 -40.614 -13.211 -7.538 330 HE ARG 43 HE ARG 43 -42.116 -12.621 -9.574 331 1HH1 ARG 43 1HH2 ARG 43 -38.666 -13.097 -9.602 332 2HH1 ARG 43 2HH2 ARG 43 -38.626 -13.658 -11.240 333 1HH2 ARG 43 2HH1 ARG 43 -42.074 -13.358 -11.733 334 2HH2 ARG 43 1HH1 ARG 43 -40.564 -13.806 -12.452 335 H ASN 44 H ASN 44 -37.138 -9.677 -5.133 336 HA ASN 44 HA ASN 44 -38.378 -7.664 -3.432 337 1HB ASN 44 2HB ASN 44 -36.598 -9.870 -2.428 338 2HB ASN 44 1HB ASN 44 -36.687 -8.323 -1.591 339 1HD2 ASN 44 2HD2 ASN 44 -39.117 -10.785 -0.178 340 2HD2 ASN 44 1HD2 ASN 44 -37.426 -10.841 -0.530 341 H LEU 45 H LEU 45 -37.319 -5.775 -3.568 342 HA LEU 45 HA LEU 45 -34.877 -5.673 -5.124 343 1HB LEU 45 2HB LEU 45 -36.948 -3.749 -4.250 344 2HB LEU 45 1HB LEU 45 -35.336 -3.088 -4.448 345 HG LEU 45 HG LEU 45 -36.598 -4.705 -6.631 346 1HD1 LEU 45 2HD1 LEU 45 -37.009 -1.779 -6.045 347 2HD1 LEU 45 1HD1 LEU 45 -37.340 -2.528 -7.607 348 3HD1 LEU 45 3HD1 LEU 45 -38.244 -3.030 -6.179 349 1HD2 LEU 45 1HD2 LEU 45 -34.129 -4.021 -6.542 350 2HD2 LEU 45 3HD2 LEU 45 -35.028 -3.676 -8.019 351 3HD2 LEU 45 2HD2 LEU 45 -34.711 -2.387 -6.858 352 H GLN 46 H GLN 46 -33.130 -6.297 -3.972 353 HA GLN 46 HA GLN 46 -32.649 -4.936 -1.389 354 1HB GLN 46 2HB GLN 46 -31.494 -7.560 -2.346 355 2HB GLN 46 1HB GLN 46 -31.196 -6.802 -0.787 356 1HG GLN 46 2HG GLN 46 -33.595 -7.006 -0.261 357 2HG GLN 46 1HG GLN 46 -33.834 -7.848 -1.792 358 1HE2 GLN 46 2HE2 GLN 46 -31.259 -9.937 0.521 359 2HE2 GLN 46 1HE2 GLN 46 -30.901 -8.350 -0.051 360 H CYS 47 H CYS 47 -30.670 -4.026 -0.953 361 HA CYS 47 HA CYS 47 -29.182 -3.138 -3.262 362 1HB CYS 47 2HB CYS 47 -29.458 -2.308 -0.460 363 2HB CYS 47 1HB CYS 47 -27.836 -2.111 -1.105 364 H ILE 48 H ILE 48 -27.878 -4.660 -4.094 365 HA ILE 48 HA ILE 48 -26.261 -6.324 -2.347 366 HB ILE 48 HB ILE 48 -26.836 -6.313 -5.285 367 1HG1 ILE 48 2HG1 ILE 48 -26.842 -8.928 -4.140 368 2HG1 ILE 48 1HG1 ILE 48 -27.667 -7.875 -3.002 369 1HG2 ILE 48 1HG2 ILE 48 -24.517 -7.697 -3.963 370 2HG2 ILE 48 3HG2 ILE 48 -25.177 -8.180 -5.526 371 3HG2 ILE 48 2HG2 ILE 48 -24.484 -6.574 -5.325 372 1HD1 ILE 48 1HD1 ILE 48 -28.979 -7.070 -5.077 373 2HD1 ILE 48 3HD1 ILE 48 -28.401 -8.572 -5.801 374 3HD1 ILE 48 2HD1 ILE 48 -29.376 -8.619 -4.332 375 H CYS 49 H CYS 49 -24.468 -5.532 -1.557 376 HA CYS 49 HA CYS 49 -22.954 -3.514 -3.032 377 1HB CYS 49 2HB CYS 49 -22.693 -4.564 -0.210 378 2HB CYS 49 1HB CYS 49 -21.652 -3.329 -0.907 379 H ASP 50 H ASP 50 -21.196 -4.016 -4.176 380 HA ASP 50 HA ASP 50 -20.107 -6.725 -3.966 381 1HB ASP 50 2HB ASP 50 -20.740 -5.918 -6.201 382 2HB ASP 50 1HB ASP 50 -19.617 -4.571 -6.037 383 H TYR 51 H TYR 51 -18.052 -7.201 -3.471 384 HA TYR 51 HA TYR 51 -16.286 -4.997 -2.614 385 1HB TYR 51 2HB TYR 51 -16.803 -7.627 -1.229 386 2HB TYR 51 1HB TYR 51 -15.591 -6.450 -0.725 387 HD1 TYR 51 HD1 TYR 51 -19.223 -6.971 -1.195 388 HD2 TYR 51 HD2 TYR 51 -16.196 -4.652 0.689 389 HE1 TYR 51 HE1 TYR 51 -20.928 -5.871 0.176 390 HE2 TYR 51 HE2 TYR 51 -17.901 -3.539 2.072 391 HH TYR 51 HH TYR 51 -21.304 -4.510 1.922 392 H CYS 52 H CYS 52 -15.590 -5.568 -4.953 393 HA CYS 52 HA CYS 52 -13.814 -7.903 -5.010 394 1HB CYS 52 2HB CYS 52 -14.730 -6.054 -7.208 395 2HB CYS 52 1HB CYS 52 -13.640 -7.414 -7.441 396 H GLU 53 H GLU 53 -13.150 -5.626 -3.417 397 HA GLU 53 HA GLU 53 -11.536 -3.692 -4.286 398 1HB GLU 53 2HB GLU 53 -10.035 -4.140 -2.309 399 2HB GLU 53 1HB GLU 53 -11.750 -4.012 -1.941 400 1HG GLU 53 2HG GLU 53 -10.178 -6.567 -2.208 401 2HG GLU 53 1HG GLU 53 -10.719 -5.825 -0.703 402 H TYR 54 HN TYR 54 -10.499 -7.082 -3.994 403 HA TYR 54 HA TYR 54 -8.169 -6.450 -5.692 404 1HB TYR 54 2HB TYR 54 -8.602 -8.442 -3.499 405 2HB TYR 54 1HB TYR 54 -7.426 -8.793 -4.762 406 HD1 TYR 54 HD2 TYR 54 -5.639 -6.979 -5.210 407 HD2 TYR 54 HD1 TYR 54 -7.976 -7.147 -1.661 408 HE1 TYR 54 HE2 TYR 54 -3.969 -5.598 -4.055 409 HE2 TYR 54 HE1 TYR 54 -6.311 -5.763 -0.493 410 HH TYR 54 HH TYR 54 -3.518 -5.385 -1.047 No H/Q in entry = 410 Start of MODEL 4 1 HN PCA 1 HN PCA 1 -18.153 -15.239 2.274 2 HA PCA 1 HA PCA 1 -17.690 -13.526 0.445 3 1HB PCA 1 1HB PCA 1 -15.645 -12.564 0.524 4 2HB PCA 1 2HB PCA 1 -14.879 -14.123 0.136 5 1HG PCA 1 1HG PCA 1 -15.039 -12.794 2.703 6 2HG PCA 1 2HG PCA 1 -14.267 -14.344 2.322 7 H ASP 2 H ASP 2 -18.931 -15.116 -0.624 8 HA ASP 2 HA ASP 2 -17.574 -17.474 -1.655 9 1HB ASP 2 2HB ASP 2 -19.753 -18.166 -2.464 10 2HB ASP 2 1HB ASP 2 -19.898 -17.637 -0.790 11 H LYS 3 H LYS 3 -19.136 -14.536 -2.888 12 HA LYS 3 HA LYS 3 -17.576 -14.836 -5.354 13 1HB LYS 3 2HB LYS 3 -20.359 -15.216 -5.202 14 2HB LYS 3 1HB LYS 3 -20.152 -13.628 -5.923 15 1HG LYS 3 2HG LYS 3 -18.676 -16.032 -6.945 16 2HG LYS 3 1HG LYS 3 -20.306 -15.630 -7.486 17 1HD LYS 3 2HD LYS 3 -18.255 -13.476 -7.540 18 2HD LYS 3 1HD LYS 3 -18.143 -14.751 -8.756 19 1HE LYS 3 2HE LYS 3 -20.388 -14.294 -9.507 20 2HE LYS 3 1HE LYS 3 -20.622 -13.123 -8.209 21 1HZ LYS 3 1HZ LYS 3 -18.585 -12.843 -10.352 22 2HZ LYS 3 3HZ LYS 3 -20.112 -12.115 -10.395 23 3HZ LYS 3 2HZ LYS 3 -19.005 -11.688 -9.191 24 H CYS 4 H CYS 4 -17.255 -13.195 -2.956 25 HA CYS 4 HA CYS 4 -16.731 -11.062 -2.379 26 1HB CYS 4 2HB CYS 4 -16.149 -11.248 -5.291 27 2HB CYS 4 1HB CYS 4 -16.062 -9.657 -4.547 28 H LYS 5 H LYS 5 -19.499 -11.501 -2.576 29 HA LYS 5 HA LYS 5 -20.389 -8.781 -3.148 30 1HB LYS 5 2HB LYS 5 -22.346 -9.541 -4.412 31 2HB LYS 5 1HB LYS 5 -20.847 -9.980 -5.221 32 1HG LYS 5 2HG LYS 5 -21.855 -11.988 -5.427 33 2HG LYS 5 1HG LYS 5 -21.271 -12.218 -3.779 34 1HD LYS 5 2HD LYS 5 -23.552 -11.075 -3.149 35 2HD LYS 5 1HD LYS 5 -24.027 -11.626 -4.757 36 1HE LYS 5 2HE LYS 5 -24.647 -13.432 -3.485 37 2HE LYS 5 1HE LYS 5 -23.009 -13.898 -3.939 38 1HZ LYS 5 3HZ LYS 5 -23.593 -12.467 -1.415 39 2HZ LYS 5 2HZ LYS 5 -23.640 -14.154 -1.521 40 3HZ LYS 5 1HZ LYS 5 -22.197 -13.330 -1.831 41 H LYS 6 H LYS 6 -21.899 -8.048 -1.747 42 HA LYS 6 HA LYS 6 -23.479 -9.900 -0.168 43 1HB LYS 6 2HB LYS 6 -21.642 -7.941 1.213 44 2HB LYS 6 1HB LYS 6 -22.706 -9.113 1.976 45 1HG LYS 6 2HG LYS 6 -21.356 -10.921 0.911 46 2HG LYS 6 1HG LYS 6 -20.231 -9.676 0.363 47 1HD LYS 6 2HD LYS 6 -20.955 -10.292 3.226 48 2HD LYS 6 1HD LYS 6 -19.436 -10.698 2.424 49 1HE LYS 6 2HE LYS 6 -18.828 -8.766 3.490 50 2HE LYS 6 1HE LYS 6 -19.380 -8.113 1.948 51 1HZ LYS 6 1HZ LYS 6 -21.574 -7.750 3.018 52 2HZ LYS 6 3HZ LYS 6 -20.890 -8.195 4.500 53 3HZ LYS 6 2HZ LYS 6 -20.329 -6.822 3.688 54 H VAL 7 H VAL 7 -25.425 -9.063 0.333 55 HA VAL 7 HA VAL 7 -26.188 -6.572 -0.734 56 HB VAL 7 HB VAL 7 -28.297 -7.278 -0.424 57 1HG1 VAL 7 1HG1 VAL 7 -27.067 -9.373 -0.945 58 2HG1 VAL 7 3HG1 VAL 7 -27.076 -9.744 0.781 59 3HG1 VAL 7 2HG1 VAL 7 -28.597 -9.614 -0.099 60 1HG2 VAL 7 2HG2 VAL 7 -27.577 -7.862 2.446 61 2HG2 VAL 7 1HG2 VAL 7 -28.489 -6.487 1.825 62 3HG2 VAL 7 3HG2 VAL 7 -29.184 -8.107 1.766 63 H TYR 8 H TYR 8 -26.978 -4.698 0.327 64 HA TYR 8 HA TYR 8 -25.523 -4.146 2.800 65 1HB TYR 8 2HB TYR 8 -25.185 -2.478 1.115 66 2HB TYR 8 1HB TYR 8 -26.911 -2.335 0.820 67 HD1 TYR 8 HD2 TYR 8 -25.982 -2.577 4.328 68 HD2 TYR 8 HD1 TYR 8 -26.490 0.124 1.068 69 HE1 TYR 8 HE2 TYR 8 -26.075 -0.702 5.900 70 HE2 TYR 8 HE1 TYR 8 -26.578 2.008 2.650 71 HH TYR 8 HH TYR 8 -25.500 2.152 5.408 72 H GLU 9 H GLU 9 -26.707 -4.998 4.426 73 HA GLU 9 HA GLU 9 -29.514 -4.943 4.527 74 1HB GLU 9 2HB GLU 9 -27.831 -5.090 7.003 75 2HB GLU 9 1HB GLU 9 -29.337 -5.924 6.640 76 1HG GLU 9 2HG GLU 9 -28.184 -7.350 5.047 77 2HG GLU 9 1HG GLU 9 -26.673 -6.497 5.360 78 H ASN 10 H ASN 10 -30.766 -3.199 4.777 79 HA ASN 10 HA ASN 10 -30.569 -1.406 6.914 80 1HB ASN 10 2HB ASN 10 -28.574 -0.617 5.595 81 2HB ASN 10 1HB ASN 10 -29.670 -0.150 4.310 82 1HD2 ASN 10 2HD2 ASN 10 -28.874 2.409 7.162 83 2HD2 ASN 10 1HD2 ASN 10 -27.916 1.050 6.690 84 H TYR 11 H TYR 11 -31.279 0.090 3.840 85 HA TYR 11 HA TYR 11 -33.868 0.748 4.529 86 1HB TYR 11 2HB TYR 11 -33.752 0.483 1.665 87 2HB TYR 11 1HB TYR 11 -33.727 1.949 2.634 88 HD1 TYR 11 HD1 TYR 11 -31.394 2.582 3.655 89 HD2 TYR 11 HD2 TYR 11 -31.926 -0.040 0.342 90 HE1 TYR 11 HE1 TYR 11 -29.080 3.011 2.940 91 HE2 TYR 11 HE2 TYR 11 -29.627 0.382 -0.363 92 HH TYR 11 HH TYR 11 -27.842 2.864 0.521 93 HA PRO 12 HA PRO 12 -36.195 -2.960 3.914 94 1HB PRO 12 2HB PRO 12 -38.656 -1.963 3.471 95 2HB PRO 12 1HB PRO 12 -37.872 -1.836 5.051 96 1HG PRO 12 2HG PRO 12 -38.096 0.218 2.882 97 2HG PRO 12 1HG PRO 12 -38.328 0.407 4.631 98 1HD PRO 12 2HD PRO 12 -36.027 1.096 3.349 99 2HD PRO 12 1HD PRO 12 -36.074 0.556 5.040 100 H VAL 13 H VAL 13 -35.149 -1.140 1.521 101 HA VAL 13 HA VAL 13 -34.755 -1.874 -0.660 102 HB VAL 13 HB VAL 13 -37.509 -3.090 -0.555 103 1HG1 VAL 13 3HG1 VAL 13 -35.615 -2.588 -2.774 104 2HG1 VAL 13 2HG1 VAL 13 -36.501 -4.113 -2.777 105 3HG1 VAL 13 1HG1 VAL 13 -37.379 -2.585 -2.769 106 1HG2 VAL 13 1HG2 VAL 13 -34.759 -4.157 -0.200 107 2HG2 VAL 13 3HG2 VAL 13 -36.257 -4.644 0.587 108 3HG2 VAL 13 2HG2 VAL 13 -35.922 -5.161 -1.062 109 H SER 14 H SER 14 -36.692 0.229 0.800 110 HA SER 14 HA SER 14 -38.315 1.306 -1.219 111 1HB SER 14 2HB SER 14 -38.579 3.191 0.180 112 2HB SER 14 1HB SER 14 -38.280 1.860 1.299 113 HG SER 14 HG SER 14 -37.021 3.728 1.772 114 H LYS 15 H LYS 15 -35.394 2.935 0.003 115 HA LYS 15 HA LYS 15 -35.008 4.385 -2.401 116 1HB LYS 15 2HB LYS 15 -33.275 3.892 0.016 117 2HB LYS 15 1HB LYS 15 -32.703 4.835 -1.354 118 1HG LYS 15 2HG LYS 15 -34.550 6.407 -1.047 119 2HG LYS 15 1HG LYS 15 -35.123 5.462 0.329 120 1HD LYS 15 2HD LYS 15 -33.424 6.160 1.693 121 2HD LYS 15 1HD LYS 15 -32.296 6.378 0.355 122 1HE LYS 15 2HE LYS 15 -34.573 8.186 1.143 123 2HE LYS 15 1HE LYS 15 -32.849 8.534 1.242 124 1HZ LYS 15 1HZ LYS 15 -32.809 8.255 -1.238 125 2HZ LYS 15 3HZ LYS 15 -34.501 8.254 -1.200 126 3HZ LYS 15 2HZ LYS 15 -33.644 9.615 -0.676 127 H CYS 16 H CYS 16 -34.663 3.235 -4.231 128 HA CYS 16 HA CYS 16 -32.153 2.006 -4.656 129 1HB CYS 16 2HB CYS 16 -34.120 0.316 -3.514 130 2HB CYS 16 1HB CYS 16 -33.949 -0.188 -5.190 131 H GLN 17 H GLN 17 -34.051 3.934 -5.850 132 HA GLN 17 HA GLN 17 -34.374 2.698 -8.513 133 1HB GLN 17 2HB GLN 17 -35.868 5.075 -7.395 134 2HB GLN 17 1HB GLN 17 -36.147 4.298 -8.948 135 1HG GLN 17 2HG GLN 17 -36.721 2.208 -7.682 136 2HG GLN 17 1HG GLN 17 -36.674 3.176 -6.212 137 1HE2 GLN 17 2HE2 GLN 17 -40.122 3.480 -6.763 138 2HE2 GLN 17 1HE2 GLN 17 -38.880 2.660 -5.886 139 H LEU 18 H LEU 18 -31.897 3.781 -7.646 140 HA LEU 18 HA LEU 18 -31.314 5.507 -9.807 141 1HB LEU 18 2HB LEU 18 -32.002 6.709 -7.246 142 2HB LEU 18 1HB LEU 18 -30.404 7.193 -7.786 143 HG LEU 18 HG LEU 18 -32.685 7.345 -9.693 144 1HD1 LEU 18 2HD1 LEU 18 -32.209 9.118 -7.340 145 2HD1 LEU 18 1HD1 LEU 18 -32.810 9.810 -8.846 146 3HD1 LEU 18 3HD1 LEU 18 -33.730 8.547 -8.028 147 1HD2 LEU 18 1HD2 LEU 18 -30.155 8.933 -9.289 148 2HD2 LEU 18 3HD2 LEU 18 -30.463 7.737 -10.548 149 3HD2 LEU 18 2HD2 LEU 18 -31.361 9.254 -10.534 150 H ALA 19 H ALA 19 -29.378 4.851 -10.428 151 HA ALA 19 HA ALA 19 -27.642 3.266 -8.889 152 1HB ALA 19 2HB ALA 19 -27.784 3.467 -11.427 153 2HB ALA 19 1HB ALA 19 -26.767 4.898 -11.252 154 3HB ALA 19 3HB ALA 19 -26.174 3.324 -10.721 155 H ASN 20 H ASN 20 -28.066 5.253 -7.156 156 HA ASN 20 HA ASN 20 -25.439 6.535 -6.992 157 1HB ASN 20 2HB ASN 20 -27.065 8.162 -7.964 158 2HB ASN 20 1HB ASN 20 -28.022 8.026 -6.491 159 1HD2 ASN 20 2HD2 ASN 20 -24.522 9.280 -5.167 160 2HD2 ASN 20 1HD2 ASN 20 -24.917 7.649 -5.578 161 H GLN 21 H GLN 21 -28.323 7.070 -5.012 162 HA GLN 21 HA GLN 21 -27.225 7.033 -2.562 163 1HB GLN 21 2HB GLN 21 -29.604 7.388 -2.890 164 2HB GLN 21 1HB GLN 21 -29.824 5.707 -3.361 165 1HG GLN 21 2HG GLN 21 -30.597 6.031 -1.113 166 2HG GLN 21 1HG GLN 21 -29.163 5.009 -1.100 167 1HE2 GLN 21 2HE2 GLN 21 -27.949 8.711 -0.182 168 2HE2 GLN 21 1HE2 GLN 21 -28.479 8.242 -1.758 169 H CYS 22 H CYS 22 -28.568 4.067 -4.004 170 HA CYS 22 HA CYS 22 -27.507 2.312 -2.096 171 1HB CYS 22 2HB CYS 22 -29.361 1.675 -3.502 172 2HB CYS 22 1HB CYS 22 -28.367 1.820 -4.950 173 H ASN 23 H ASN 23 -26.323 2.947 -5.420 174 HA ASN 23 HA ASN 23 -24.095 1.287 -5.319 175 1HB ASN 23 2HB ASN 23 -25.052 2.649 -7.302 176 2HB ASN 23 1HB ASN 23 -24.019 3.951 -6.722 177 1HD2 ASN 23 2HD2 ASN 23 -21.014 1.962 -7.324 178 2HD2 ASN 23 1HD2 ASN 23 -21.754 2.790 -6.000 179 H TYR 24 H TYR 24 -24.035 4.830 -4.875 180 HA TYR 24 HA TYR 24 -21.462 5.055 -3.913 181 1HB TYR 24 2HB TYR 24 -22.436 7.114 -4.315 182 2HB TYR 24 1HB TYR 24 -23.951 6.668 -3.544 183 HD1 TYR 24 HD1 TYR 24 -20.519 6.451 -2.142 184 HD2 TYR 24 HD2 TYR 24 -24.296 8.397 -2.006 185 HE1 TYR 24 HE1 TYR 24 -19.822 7.646 -0.116 186 HE2 TYR 24 HE2 TYR 24 -23.611 9.600 0.025 187 HH TYR 24 HH TYR 24 -22.063 9.612 1.727 188 H ASP 25 H ASP 25 -24.433 4.241 -2.171 189 HA ASP 25 HA ASP 25 -23.436 4.339 0.418 190 1HB ASP 25 2HB ASP 25 -25.651 2.833 -0.886 191 2HB ASP 25 1HB ASP 25 -25.163 2.338 0.729 192 H CYS 26 H CYS 26 -23.662 1.445 -1.687 193 HA CYS 26 HA CYS 26 -22.243 -0.297 -0.054 194 1HB CYS 26 2HB CYS 26 -22.407 -0.106 -3.068 195 2HB CYS 26 1HB CYS 26 -21.528 -1.395 -2.260 196 H LYS 27 H LYS 27 -21.112 2.009 -2.457 197 HA LYS 27 HA LYS 27 -18.387 1.431 -2.387 198 1HB LYS 27 2HB LYS 27 -19.713 2.911 -4.002 199 2HB LYS 27 1HB LYS 27 -19.501 4.192 -2.817 200 1HG LYS 27 2HG LYS 27 -17.312 4.484 -3.319 201 2HG LYS 27 1HG LYS 27 -17.040 2.770 -3.620 202 1HD LYS 27 2HD LYS 27 -16.781 4.000 -5.683 203 2HD LYS 27 1HD LYS 27 -18.226 2.992 -5.778 204 1HE LYS 27 2HE LYS 27 -19.381 5.191 -4.871 205 2HE LYS 27 1HE LYS 27 -17.974 5.952 -5.612 206 1HZ LYS 27 2HZ LYS 27 -19.054 4.055 -7.390 207 2HZ LYS 27 1HZ LYS 27 -20.297 5.074 -6.866 208 3HZ LYS 27 3HZ LYS 27 -18.915 5.729 -7.589 209 H LEU 28 H LEU 28 -20.027 2.191 0.313 210 HA LEU 28 HA LEU 28 -17.658 3.055 1.659 211 1HB LEU 28 2HB LEU 28 -18.684 5.140 0.515 212 2HB LEU 28 1HB LEU 28 -19.874 5.059 1.802 213 HG LEU 28 HG LEU 28 -17.771 5.019 3.366 214 1HD1 LEU 28 2HD1 LEU 28 -16.334 4.896 1.187 215 2HD1 LEU 28 1HD1 LEU 28 -16.564 6.645 1.179 216 3HD1 LEU 28 3HD1 LEU 28 -15.795 5.863 2.560 217 1HD2 LEU 28 1HD2 LEU 28 -18.905 7.406 1.940 218 2HD2 LEU 28 3HD2 LEU 28 -19.292 6.798 3.549 219 3HD2 LEU 28 2HD2 LEU 28 -17.733 7.562 3.246 220 H ASP 29 H ASP 29 -21.175 2.641 1.850 221 HA ASP 29 HA ASP 29 -21.307 2.626 4.676 222 1HB ASP 29 2HB ASP 29 -23.122 1.712 2.481 223 2HB ASP 29 1HB ASP 29 -23.461 1.193 4.128 224 H LYS 30 H LYS 30 -19.997 0.415 2.501 225 HA LYS 30 HA LYS 30 -19.682 -1.551 4.643 226 1HB LYS 30 2HB LYS 30 -20.820 -2.120 1.915 227 2HB LYS 30 1HB LYS 30 -20.038 -3.372 2.869 228 1HG LYS 30 2HG LYS 30 -22.196 -1.772 4.142 229 2HG LYS 30 1HG LYS 30 -22.642 -3.002 2.959 230 1HD LYS 30 2HD LYS 30 -21.749 -4.735 4.248 231 2HD LYS 30 1HD LYS 30 -20.775 -3.631 5.222 232 1HE LYS 30 2HE LYS 30 -23.717 -3.266 5.312 233 2HE LYS 30 1HE LYS 30 -23.067 -4.704 6.097 234 1HZ LYS 30 3HZ LYS 30 -22.198 -1.918 6.645 235 2HZ LYS 30 2HZ LYS 30 -23.242 -2.824 7.619 236 3HZ LYS 30 1HZ LYS 30 -21.634 -3.309 7.426 237 H HIS 31 H HIS 31 -18.313 0.404 2.432 238 HA HIS 31 HA HIS 31 -16.211 0.621 1.591 239 1HB HIS 31 2HB HIS 31 -15.309 -1.825 3.070 240 2HB HIS 31 1HB HIS 31 -14.433 -0.331 2.753 241 HD1 HIS 31 HD1 HIS 31 -15.783 -2.052 5.475 242 HD2 HIS 31 HD2 HIS 31 -15.988 1.911 4.242 243 HE1 HIS 31 HE1 HIS 31 -16.391 -0.738 7.532 244 HE2 HIS 31 HE2 HIS 31 -16.506 1.658 6.764 245 H ALA 32 H ALA 32 -18.009 -0.681 -0.017 246 HA ALA 32 HA ALA 32 -16.727 -3.079 -1.056 247 1HB ALA 32 1HB ALA 32 -19.313 -2.516 -0.829 248 2HB ALA 32 3HB ALA 32 -19.053 -1.860 -2.446 249 3HB ALA 32 2HB ALA 32 -18.690 -3.555 -2.111 250 H ARG 33 H ARG 33 -16.930 -3.089 -3.650 251 HA ARG 33 HA ARG 33 -15.142 -0.946 -4.535 252 1HB ARG 33 2HB ARG 33 -14.140 -2.933 -5.139 253 2HB ARG 33 1HB ARG 33 -15.673 -3.756 -5.378 254 1HG ARG 33 2HG ARG 33 -14.460 -3.498 -7.469 255 2HG ARG 33 1HG ARG 33 -15.985 -2.617 -7.503 256 1HD ARG 33 2HD ARG 33 -14.089 -0.782 -6.537 257 2HD ARG 33 1HD ARG 33 -13.287 -1.632 -7.857 258 HE ARG 33 HE ARG 33 -15.304 0.317 -8.105 259 1HH1 ARG 33 1HH2 ARG 33 -14.308 -2.736 -9.455 260 2HH1 ARG 33 2HH2 ARG 33 -15.017 -2.430 -11.005 261 1HH2 ARG 33 2HH1 ARG 33 -16.247 0.727 -10.143 262 2HH2 ARG 33 1HH1 ARG 33 -16.120 -0.463 -11.396 263 H SER 34 H SER 34 -18.258 -2.364 -5.104 264 HA SER 34 HA SER 34 -19.434 -0.099 -6.191 265 1HB SER 34 2HB SER 34 -19.744 -0.915 -8.578 266 2HB SER 34 1HB SER 34 -18.128 -0.330 -8.184 267 HG SER 34 HG SER 34 -19.012 -2.919 -8.716 268 H GLY 35 H GLY 35 -21.659 -0.404 -6.483 269 1HA GLY 35 2HA GLY 35 -22.692 -3.139 -6.383 270 2HA GLY 35 1HA GLY 35 -23.056 -2.099 -5.015 271 H GLU 36 H GLU 36 -25.230 -2.912 -5.987 272 HA GLU 36 HA GLU 36 -26.575 -0.668 -6.962 273 1HB GLU 36 2HB GLU 36 -25.229 -2.075 -9.006 274 2HB GLU 36 1HB GLU 36 -26.931 -2.463 -9.200 275 1HG GLU 36 2HG GLU 36 -27.301 0.078 -9.012 276 2HG GLU 36 1HG GLU 36 -25.576 0.193 -9.356 277 H CYS 37 H CYS 37 -28.850 -1.220 -7.677 278 HA CYS 37 HA CYS 37 -29.856 -3.277 -5.888 279 1HB CYS 37 2HB CYS 37 -31.455 -1.357 -7.590 280 2HB CYS 37 1HB CYS 37 -32.014 -2.267 -6.191 281 H PHE 38 H PHE 38 -30.696 -5.169 -6.511 282 HA PHE 38 HA PHE 38 -31.454 -5.582 -9.302 283 1HB PHE 38 2HB PHE 38 -29.384 -7.228 -7.837 284 2HB PHE 38 1HB PHE 38 -30.164 -7.744 -9.328 285 HD1 PHE 38 HD2 PHE 38 -29.831 -6.382 -11.408 286 HD2 PHE 38 HD1 PHE 38 -27.568 -5.750 -7.860 287 HE1 PHE 38 HE2 PHE 38 -28.132 -5.171 -12.712 288 HE2 PHE 38 HE1 PHE 38 -25.865 -4.538 -9.157 289 HZ PHE 38 HZ PHE 38 -26.146 -4.247 -11.588 290 H TYR 39 H TYR 39 -32.548 -7.713 -9.595 291 HA TYR 39 HA TYR 39 -34.314 -8.163 -7.328 292 1HB TYR 39 2HB TYR 39 -34.483 -8.527 -10.251 293 2HB TYR 39 1HB TYR 39 -35.328 -9.741 -9.294 294 HD1 TYR 39 HD1 TYR 39 -37.175 -9.086 -7.811 295 HD2 TYR 39 HD2 TYR 39 -35.266 -6.261 -10.356 296 HE1 TYR 39 HE1 TYR 39 -39.055 -7.535 -7.489 297 HE2 TYR 39 HE2 TYR 39 -37.141 -4.701 -10.042 298 HH TYR 39 HH TYR 39 -39.545 -4.813 -9.422 299 H ASP 40 H ASP 40 -33.516 -9.532 -5.877 300 HA ASP 40 HA ASP 40 -32.045 -11.899 -6.728 301 1HB ASP 40 2HB ASP 40 -31.457 -12.177 -4.407 302 2HB ASP 40 1HB ASP 40 -31.223 -10.486 -4.836 303 H GLU 41 H GLU 41 -32.555 -13.818 -5.040 304 HA GLU 41 HA GLU 41 -34.997 -14.901 -5.901 305 1HB GLU 41 2HB GLU 41 -33.338 -15.795 -3.541 306 2HB GLU 41 1HB GLU 41 -34.514 -16.761 -4.422 307 1HG GLU 41 2HG GLU 41 -33.137 -17.032 -6.241 308 2HG GLU 41 1HG GLU 41 -32.198 -15.582 -5.880 309 H LYS 42 H LYS 42 -35.581 -12.413 -4.706 310 HA LYS 42 HA LYS 42 -37.489 -13.311 -2.695 311 1HB LYS 42 2HB LYS 42 -35.153 -12.088 -1.891 312 2HB LYS 42 1HB LYS 42 -36.255 -10.726 -1.987 313 1HG LYS 42 2HG LYS 42 -37.560 -12.875 -0.583 314 2HG LYS 42 1HG LYS 42 -35.969 -12.608 0.117 315 1HD LYS 42 2HD LYS 42 -37.452 -11.207 1.302 316 2HD LYS 42 1HD LYS 42 -36.556 -10.150 0.211 317 1HE LYS 42 2HE LYS 42 -38.418 -9.562 -0.919 318 2HE LYS 42 1HE LYS 42 -39.041 -11.210 -0.937 319 1HZ LYS 42 1HZ LYS 42 -39.126 -9.491 1.473 320 2HZ LYS 42 3HZ LYS 42 -40.384 -9.550 0.342 321 3HZ LYS 42 2HZ LYS 42 -39.953 -10.942 1.202 322 H ARG 43 H ARG 43 -37.418 -12.282 -5.528 323 HA ARG 43 HA ARG 43 -38.476 -10.742 -6.866 324 1HB ARG 43 2HB ARG 43 -40.542 -11.396 -4.765 325 2HB ARG 43 1HB ARG 43 -40.912 -10.525 -6.248 326 1HG ARG 43 2HG ARG 43 -39.497 -13.111 -6.530 327 2HG ARG 43 1HG ARG 43 -41.183 -13.171 -6.013 328 1HD ARG 43 2HD ARG 43 -40.212 -11.674 -8.444 329 2HD ARG 43 1HD ARG 43 -40.840 -13.321 -8.487 330 HE ARG 43 HE ARG 43 -42.836 -12.000 -7.284 331 1HH1 ARG 43 1HH2 ARG 43 -41.006 -11.321 -10.170 332 2HH1 ARG 43 2HH2 ARG 43 -42.306 -10.484 -10.952 333 1HH2 ARG 43 2HH1 ARG 43 -44.553 -10.903 -8.305 334 2HH2 ARG 43 1HH1 ARG 43 -44.323 -10.248 -9.891 335 H ASN 44 H ASN 44 -36.803 -9.432 -5.032 336 HA ASN 44 HA ASN 44 -38.194 -6.873 -4.846 337 1HB ASN 44 2HB ASN 44 -37.216 -8.458 -2.541 338 2HB ASN 44 1HB ASN 44 -36.801 -6.746 -2.518 339 1HD2 ASN 44 2HD2 ASN 44 -40.743 -7.846 -2.370 340 2HD2 ASN 44 1HD2 ASN 44 -39.588 -8.843 -3.181 341 H LEU 45 H LEU 45 -36.696 -5.050 -4.570 342 HA LEU 45 HA LEU 45 -34.275 -5.518 -6.090 343 1HB LEU 45 2HB LEU 45 -35.834 -3.123 -5.234 344 2HB LEU 45 1HB LEU 45 -34.145 -2.905 -5.656 345 HG LEU 45 HG LEU 45 -36.016 -4.296 -7.548 346 1HD1 LEU 45 3HD1 LEU 45 -35.777 -1.363 -6.993 347 2HD1 LEU 45 2HD1 LEU 45 -36.122 -1.937 -8.625 348 3HD1 LEU 45 1HD1 LEU 45 -37.218 -2.332 -7.301 349 1HD2 LEU 45 3HD2 LEU 45 -33.486 -2.690 -7.904 350 2HD2 LEU 45 2HD2 LEU 45 -33.642 -4.443 -8.019 351 3HD2 LEU 45 1HD2 LEU 45 -34.434 -3.408 -9.207 352 H GLN 46 H GLN 46 -32.825 -6.545 -4.762 353 HA GLN 46 HA GLN 46 -32.210 -5.395 -2.157 354 1HB GLN 46 2HB GLN 46 -31.818 -7.986 -3.467 355 2HB GLN 46 1HB GLN 46 -30.400 -7.455 -2.572 356 1HG GLN 46 2HG GLN 46 -31.913 -7.078 -0.604 357 2HG GLN 46 1HG GLN 46 -33.181 -7.889 -1.521 358 1HE2 GLN 46 2HE2 GLN 46 -31.362 -10.277 0.716 359 2HE2 GLN 46 1HE2 GLN 46 -32.109 -8.739 0.965 360 H CYS 47 H CYS 47 -30.332 -4.376 -1.637 361 HA CYS 47 HA CYS 47 -28.817 -3.284 -3.842 362 1HB CYS 47 2HB CYS 47 -29.169 -2.676 -0.963 363 2HB CYS 47 1HB CYS 47 -27.613 -2.238 -1.661 364 H ILE 48 H ILE 48 -27.566 -4.911 -4.667 365 HA ILE 48 HA ILE 48 -25.892 -6.523 -2.955 366 HB ILE 48 HB ILE 48 -25.861 -6.370 -5.959 367 1HG1 ILE 48 2HG1 ILE 48 -27.493 -8.115 -4.108 368 2HG1 ILE 48 1HG1 ILE 48 -28.107 -6.916 -5.243 369 1HG2 ILE 48 1HG2 ILE 48 -23.895 -7.421 -4.971 370 2HG2 ILE 48 3HG2 ILE 48 -24.932 -8.513 -4.054 371 3HG2 ILE 48 2HG2 ILE 48 -24.890 -8.606 -5.815 372 1HD1 ILE 48 1HD1 ILE 48 -26.989 -8.341 -7.050 373 2HD1 ILE 48 3HD1 ILE 48 -26.909 -9.594 -5.812 374 3HD1 ILE 48 2HD1 ILE 48 -28.471 -8.942 -6.309 375 H CYS 49 H CYS 49 -24.006 -5.880 -2.195 376 HA CYS 49 HA CYS 49 -22.527 -3.749 -3.567 377 1HB CYS 49 2HB CYS 49 -21.983 -4.981 -0.859 378 2HB CYS 49 1HB CYS 49 -21.259 -3.521 -1.514 379 H ASP 50 H ASP 50 -21.049 -4.434 -5.018 380 HA ASP 50 HA ASP 50 -19.771 -7.043 -4.626 381 1HB ASP 50 2HB ASP 50 -20.461 -6.963 -6.830 382 2HB ASP 50 1HB ASP 50 -20.144 -5.240 -6.986 383 H TYR 51 H TYR 51 -17.739 -7.307 -4.084 384 HA TYR 51 HA TYR 51 -16.129 -4.936 -3.492 385 1HB TYR 51 2HB TYR 51 -16.044 -7.805 -2.596 386 2HB TYR 51 1HB TYR 51 -14.726 -6.688 -2.256 387 HD1 TYR 51 HD1 TYR 51 -18.358 -7.256 -1.716 388 HD2 TYR 51 HD2 TYR 51 -14.858 -5.211 -0.427 389 HE1 TYR 51 HE1 TYR 51 -19.555 -6.483 0.289 390 HE2 TYR 51 HE2 TYR 51 -16.044 -4.430 1.579 391 HH TYR 51 HH TYR 51 -18.268 -4.074 2.380 392 H CYS 52 H CYS 52 -15.982 -8.042 -5.166 393 HA CYS 52 HA CYS 52 -13.499 -7.196 -6.504 394 1HB CYS 52 2HB CYS 52 -14.618 -9.994 -6.360 395 2HB CYS 52 1HB CYS 52 -13.017 -9.510 -6.888 396 H GLU 53 H GLU 53 -14.958 -9.825 -7.991 397 HA GLU 53 HA GLU 53 -15.631 -10.051 -10.175 398 1HB GLU 53 2HB GLU 53 -17.718 -9.877 -8.883 399 2HB GLU 53 1HB GLU 53 -17.709 -8.134 -9.106 400 1HG GLU 53 2HG GLU 53 -19.230 -9.485 -10.611 401 2HG GLU 53 1HG GLU 53 -18.177 -8.304 -11.389 402 H TYR 54 HN TYR 54 -16.860 -6.780 -9.863 403 HA TYR 54 HA TYR 54 -14.938 -5.209 -10.966 404 1HB TYR 54 2HB TYR 54 -15.829 -7.065 -12.968 405 2HB TYR 54 1HB TYR 54 -16.386 -5.468 -13.426 406 HD1 TYR 54 HD2 TYR 54 -13.212 -6.358 -11.647 407 HD2 TYR 54 HD1 TYR 54 -15.028 -4.922 -15.223 408 HE1 TYR 54 HE2 TYR 54 -11.010 -5.792 -12.529 409 HE2 TYR 54 HE1 TYR 54 -12.811 -4.358 -16.118 410 HH TYR 54 HH TYR 54 -9.863 -5.244 -14.429 No H/Q in entry = 410 Start of MODEL 5 1 HN PCA 1 HN PCA 1 -11.524 -14.900 -2.437 2 HA PCA 1 HA PCA 1 -11.785 -15.102 -4.949 3 1HB PCA 1 1HB PCA 1 -10.884 -16.990 -5.814 4 2HB PCA 1 2HB PCA 1 -12.219 -17.932 -5.111 5 1HG PCA 1 1HG PCA 1 -9.485 -17.831 -4.231 6 2HG PCA 1 2HG PCA 1 -10.835 -18.678 -3.455 7 H ASP 2 H ASP 2 -13.284 -16.575 -2.211 8 HA ASP 2 HA ASP 2 -15.880 -16.762 -3.535 9 1HB ASP 2 2HB ASP 2 -16.445 -17.516 -1.028 10 2HB ASP 2 1HB ASP 2 -15.742 -18.618 -2.207 11 H LYS 3 H LYS 3 -14.305 -14.239 -2.595 12 HA LYS 3 HA LYS 3 -16.573 -12.985 -1.177 13 1HB LYS 3 2HB LYS 3 -13.761 -11.929 -1.067 14 2HB LYS 3 1HB LYS 3 -15.101 -11.600 0.022 15 1HG LYS 3 2HG LYS 3 -14.943 -14.107 0.612 16 2HG LYS 3 1HG LYS 3 -13.343 -14.015 -0.128 17 1HD LYS 3 2HD LYS 3 -14.277 -12.178 2.074 18 2HD LYS 3 1HD LYS 3 -13.385 -13.674 2.359 19 1HE LYS 3 2HE LYS 3 -11.523 -12.835 1.034 20 2HE LYS 3 1HE LYS 3 -12.419 -11.357 0.688 21 1HZ LYS 3 2HZ LYS 3 -12.431 -10.892 3.086 22 2HZ LYS 3 1HZ LYS 3 -11.474 -12.260 3.353 23 3HZ LYS 3 3HZ LYS 3 -10.866 -10.964 2.453 24 H CYS 4 H CYS 4 -17.625 -11.498 -2.298 25 HA CYS 4 HA CYS 4 -16.288 -9.592 -3.947 26 1HB CYS 4 2HB CYS 4 -17.166 -12.040 -5.168 27 2HB CYS 4 1HB CYS 4 -18.100 -10.701 -5.830 28 H LYS 5 H LYS 5 -19.521 -10.857 -4.606 29 HA LYS 5 HA LYS 5 -20.615 -8.269 -3.825 30 1HB LYS 5 2HB LYS 5 -22.704 -9.147 -4.921 31 2HB LYS 5 1HB LYS 5 -21.317 -8.942 -5.978 32 1HG LYS 5 2HG LYS 5 -21.579 -11.053 -6.652 33 2HG LYS 5 1HG LYS 5 -21.150 -11.580 -5.026 34 1HD LYS 5 2HD LYS 5 -23.472 -11.530 -4.356 35 2HD LYS 5 1HD LYS 5 -23.942 -10.873 -5.926 36 1HE LYS 5 2HE LYS 5 -23.977 -13.526 -5.283 37 2HE LYS 5 1HE LYS 5 -23.867 -12.893 -6.926 38 1HZ LYS 5 3HZ LYS 5 -21.437 -13.010 -6.735 39 2HZ LYS 5 2HZ LYS 5 -21.590 -13.708 -5.202 40 3HZ LYS 5 1HZ LYS 5 -22.164 -14.528 -6.565 41 H LYS 6 H LYS 6 -21.964 -7.922 -2.167 42 HA LYS 6 HA LYS 6 -23.163 -10.183 -0.774 43 1HB LYS 6 2HB LYS 6 -22.298 -9.346 1.424 44 2HB LYS 6 1HB LYS 6 -21.076 -10.045 0.373 45 1HG LYS 6 2HG LYS 6 -20.184 -7.937 -0.167 46 2HG LYS 6 1HG LYS 6 -21.578 -7.091 0.508 47 1HD LYS 6 2HD LYS 6 -19.882 -6.835 2.112 48 2HD LYS 6 1HD LYS 6 -20.918 -8.113 2.745 49 1HE LYS 6 2HE LYS 6 -19.060 -9.506 1.246 50 2HE LYS 6 1HE LYS 6 -18.105 -8.206 1.954 51 1HZ LYS 6 2HZ LYS 6 -19.020 -8.853 4.139 52 2HZ LYS 6 1HZ LYS 6 -19.786 -10.173 3.411 53 3HZ LYS 6 3HZ LYS 6 -18.096 -10.074 3.421 54 H VAL 7 H VAL 7 -25.140 -9.715 -0.060 55 HA VAL 7 HA VAL 7 -26.336 -7.234 -0.630 56 HB VAL 7 HB VAL 7 -28.333 -8.146 0.026 57 1HG1 VAL 7 3HG1 VAL 7 -26.953 -9.677 -1.526 58 2HG1 VAL 7 2HG1 VAL 7 -26.874 -10.752 -0.130 59 3HG1 VAL 7 1HG1 VAL 7 -28.438 -10.304 -0.810 60 1HG2 VAL 7 2HG2 VAL 7 -26.818 -9.624 2.165 61 2HG2 VAL 7 1HG2 VAL 7 -28.033 -8.359 2.360 62 3HG2 VAL 7 3HG2 VAL 7 -28.508 -9.956 1.782 63 H TYR 8 H TYR 8 -26.490 -5.412 0.487 64 HA TYR 8 HA TYR 8 -25.166 -5.127 3.009 65 1HB TYR 8 2HB TYR 8 -25.041 -3.302 1.461 66 2HB TYR 8 1HB TYR 8 -26.793 -3.233 1.308 67 HD1 TYR 8 HD2 TYR 8 -28.159 -2.344 3.179 68 HD2 TYR 8 HD1 TYR 8 -23.913 -2.198 3.235 69 HE1 TYR 8 HE2 TYR 8 -28.240 -0.633 4.955 70 HE2 TYR 8 HE1 TYR 8 -23.978 -0.499 5.010 71 HH TYR 8 HH TYR 8 -25.310 0.517 6.534 72 H GLU 9 H GLU 9 -28.001 -6.470 2.310 73 HA GLU 9 HA GLU 9 -30.100 -6.582 3.276 74 1HB GLU 9 2HB GLU 9 -29.876 -7.391 5.640 75 2HB GLU 9 1HB GLU 9 -28.848 -8.224 4.488 76 1HG GLU 9 2HG GLU 9 -26.936 -6.913 5.207 77 2HG GLU 9 1HG GLU 9 -27.957 -6.017 6.330 78 H ASN 10 H ASN 10 -30.684 -5.967 6.080 79 HA ASN 10 HA ASN 10 -32.108 -4.140 6.682 80 1HB ASN 10 2HB ASN 10 -29.924 -4.691 8.105 81 2HB ASN 10 1HB ASN 10 -29.504 -3.046 7.641 82 1HD2 ASN 10 2HD2 ASN 10 -32.235 -1.587 9.433 83 2HD2 ASN 10 1HD2 ASN 10 -31.383 -1.465 7.936 84 H TYR 11 H TYR 11 -32.960 -2.740 5.274 85 HA TYR 11 HA TYR 11 -31.822 -0.199 4.867 86 1HB TYR 11 2HB TYR 11 -30.429 -1.671 3.297 87 2HB TYR 11 1HB TYR 11 -31.892 -1.856 2.344 88 HD1 TYR 11 HD2 TYR 11 -33.064 0.474 1.734 89 HD2 TYR 11 HD1 TYR 11 -28.947 -0.026 2.676 90 HE1 TYR 11 HE2 TYR 11 -32.542 2.547 0.521 91 HE2 TYR 11 HE1 TYR 11 -28.410 2.046 1.465 92 HH TYR 11 HH TYR 11 -29.808 3.367 -0.631 93 HA PRO 12 HA PRO 12 -36.236 0.214 4.138 94 1HB PRO 12 2HB PRO 12 -36.343 2.862 3.590 95 2HB PRO 12 1HB PRO 12 -36.074 2.242 5.222 96 1HG PRO 12 2HG PRO 12 -34.072 3.251 3.234 97 2HG PRO 12 1HG PRO 12 -34.201 3.606 4.967 98 1HD PRO 12 2HD PRO 12 -32.452 1.794 3.989 99 2HD PRO 12 1HD PRO 12 -33.219 1.609 5.579 100 H VAL 13 H VAL 13 -34.843 -0.923 2.045 101 HA VAL 13 HA VAL 13 -34.448 -0.717 -0.305 102 HB VAL 13 HB VAL 13 -37.412 -1.118 -0.195 103 1HG1 VAL 13 2HG1 VAL 13 -36.137 -1.191 -2.347 104 2HG1 VAL 13 1HG1 VAL 13 -35.282 -2.599 -1.718 105 3HG1 VAL 13 3HG1 VAL 13 -37.026 -2.665 -1.964 106 1HG2 VAL 13 3HG2 VAL 13 -35.293 -3.034 0.775 107 2HG2 VAL 13 2HG2 VAL 13 -36.594 -2.317 1.727 108 3HG2 VAL 13 1HG2 VAL 13 -36.969 -3.476 0.451 109 H SER 14 H SER 14 -34.349 1.876 0.161 110 HA SER 14 HA SER 14 -36.459 3.452 -0.840 111 1HB SER 14 2HB SER 14 -34.880 5.268 -0.892 112 2HB SER 14 1HB SER 14 -34.513 4.288 0.528 113 HG SER 14 HG SER 14 -32.923 4.910 -1.518 114 H LYS 15 H LYS 15 -34.029 4.633 -2.614 115 HA LYS 15 HA LYS 15 -35.214 3.984 -5.107 116 1HB LYS 15 2HB LYS 15 -32.447 5.108 -4.699 117 2HB LYS 15 1HB LYS 15 -33.499 5.317 -6.093 118 1HG LYS 15 2HG LYS 15 -35.083 6.555 -4.607 119 2HG LYS 15 1HG LYS 15 -33.851 6.485 -3.345 120 1HD LYS 15 2HD LYS 15 -32.281 7.589 -4.981 121 2HD LYS 15 1HD LYS 15 -33.681 7.852 -6.023 122 1HE LYS 15 2HE LYS 15 -33.063 9.030 -3.343 123 2HE LYS 15 1HE LYS 15 -33.517 9.845 -4.839 124 1HZ LYS 15 3HZ LYS 15 -35.746 8.852 -4.600 125 2HZ LYS 15 2HZ LYS 15 -35.290 8.218 -3.101 126 3HZ LYS 15 1HZ LYS 15 -35.354 9.894 -3.326 127 H CYS 16 H CYS 16 -34.070 2.984 -6.935 128 HA CYS 16 HA CYS 16 -31.830 1.333 -6.562 129 1HB CYS 16 2HB CYS 16 -34.465 0.179 -5.902 130 2HB CYS 16 1HB CYS 16 -33.456 -0.813 -6.945 131 H GLN 17 H GLN 17 -31.197 2.116 -8.457 132 HA GLN 17 HA GLN 17 -31.373 0.834 -10.778 133 1HB GLN 17 2HB GLN 17 -33.845 2.425 -10.390 134 2HB GLN 17 1HB GLN 17 -33.081 2.611 -11.959 135 1HG GLN 17 2HG GLN 17 -33.406 -0.165 -11.008 136 2HG GLN 17 1HG GLN 17 -34.888 0.703 -11.403 137 1HE2 GLN 17 2HE2 GLN 17 -32.272 0.677 -14.518 138 2HE2 GLN 17 1HE2 GLN 17 -31.834 1.324 -12.978 139 H LEU 18 H LEU 18 -31.867 4.122 -9.599 140 HA LEU 18 HA LEU 18 -30.133 5.307 -11.557 141 1HB LEU 18 2HB LEU 18 -30.997 6.587 -8.977 142 2HB LEU 18 1HB LEU 18 -30.573 7.369 -10.489 143 HG LEU 18 HG LEU 18 -33.084 5.829 -9.861 144 1HD1 LEU 18 3HD1 LEU 18 -32.546 8.677 -10.680 145 2HD1 LEU 18 2HD1 LEU 18 -34.150 7.956 -10.545 146 3HD1 LEU 18 1HD1 LEU 18 -33.130 8.113 -9.114 147 1HD2 LEU 18 2HD2 LEU 18 -31.897 6.614 -12.491 148 2HD2 LEU 18 1HD2 LEU 18 -32.679 5.105 -12.021 149 3HD2 LEU 18 3HD2 LEU 18 -33.647 6.556 -12.282 150 H ALA 19 H ALA 19 -27.980 5.463 -11.481 151 HA ALA 19 HA ALA 19 -26.394 4.218 -9.585 152 1HB ALA 19 3HB ALA 19 -25.639 4.903 -11.840 153 2HB ALA 19 2HB ALA 19 -25.585 6.575 -11.284 154 3HB ALA 19 1HB ALA 19 -24.514 5.372 -10.565 155 H ASN 20 H ASN 20 -26.973 4.736 -7.486 156 HA ASN 20 HA ASN 20 -25.656 6.936 -6.309 157 1HB ASN 20 2HB ASN 20 -27.517 8.206 -7.284 158 2HB ASN 20 1HB ASN 20 -28.670 7.158 -6.465 159 1HD2 ASN 20 2HD2 ASN 20 -26.481 9.810 -4.238 160 2HD2 ASN 20 1HD2 ASN 20 -25.820 9.125 -5.679 161 H GLN 21 H GLN 21 -28.415 6.760 -4.583 162 HA GLN 21 HA GLN 21 -28.039 5.967 -2.259 163 1HB GLN 21 2HB GLN 21 -30.002 4.675 -4.095 164 2HB GLN 21 1HB GLN 21 -29.847 4.034 -2.465 165 1HG GLN 21 2HG GLN 21 -30.457 6.897 -3.160 166 2HG GLN 21 1HG GLN 21 -31.635 5.690 -2.646 167 1HE2 GLN 21 2HE2 GLN 21 -29.241 7.568 0.034 168 2HE2 GLN 21 1HE2 GLN 21 -29.026 7.755 -1.670 169 H CYS 22 H CYS 22 -28.495 3.022 -4.148 170 HA CYS 22 HA CYS 22 -27.075 1.373 -2.411 171 1HB CYS 22 2HB CYS 22 -28.688 0.927 -4.510 172 2HB CYS 22 1HB CYS 22 -27.138 0.621 -5.284 173 H ASN 23 H ASN 23 -26.036 2.620 -5.579 174 HA ASN 23 HA ASN 23 -23.472 1.595 -5.607 175 1HB ASN 23 2HB ASN 23 -24.800 2.930 -7.408 176 2HB ASN 23 1HB ASN 23 -24.039 4.344 -6.684 177 1HD2 ASN 23 2HD2 ASN 23 -21.504 1.558 -8.283 178 2HD2 ASN 23 1HD2 ASN 23 -22.847 1.070 -7.312 179 H TYR 24 H TYR 24 -24.317 4.945 -4.675 180 HA TYR 24 HA TYR 24 -21.837 5.714 -3.744 181 1HB TYR 24 2HB TYR 24 -23.179 7.547 -3.762 182 2HB TYR 24 1HB TYR 24 -24.615 6.619 -3.352 183 HD1 TYR 24 HD2 TYR 24 -21.398 7.488 -1.637 184 HD2 TYR 24 HD1 TYR 24 -25.643 7.319 -1.424 185 HE1 TYR 24 HE2 TYR 24 -21.314 8.379 0.651 186 HE2 TYR 24 HE1 TYR 24 -25.570 8.208 0.863 187 HH TYR 24 HH TYR 24 -23.633 8.156 2.801 188 H ASP 25 H ASP 25 -24.516 4.487 -1.712 189 HA ASP 25 HA ASP 25 -23.203 4.412 0.701 190 1HB ASP 25 2HB ASP 25 -25.270 2.496 -0.391 191 2HB ASP 25 1HB ASP 25 -24.759 2.528 1.294 192 H CYS 26 H CYS 26 -23.370 1.715 -1.655 193 HA CYS 26 HA CYS 26 -21.705 -0.018 -0.227 194 1HB CYS 26 2HB CYS 26 -22.164 0.223 -3.207 195 2HB CYS 26 1HB CYS 26 -21.253 -1.087 -2.462 196 H LYS 27 H LYS 27 -20.914 2.383 -2.729 197 HA LYS 27 HA LYS 27 -18.137 1.924 -2.739 198 1HB LYS 27 2HB LYS 27 -19.944 3.729 -3.998 199 2HB LYS 27 1HB LYS 27 -18.663 4.696 -3.282 200 1HG LYS 27 2HG LYS 27 -16.991 3.572 -4.521 201 2HG LYS 27 1HG LYS 27 -18.117 2.314 -5.031 202 1HD LYS 27 2HD LYS 27 -18.655 5.164 -5.748 203 2HD LYS 27 1HD LYS 27 -17.471 4.237 -6.669 204 1HE LYS 27 2HE LYS 27 -20.161 3.058 -6.164 205 2HE LYS 27 1HE LYS 27 -19.986 4.306 -7.397 206 1HZ LYS 27 1HZ LYS 27 -18.069 2.837 -8.230 207 2HZ LYS 27 3HZ LYS 27 -18.792 1.613 -7.313 208 3HZ LYS 27 2HZ LYS 27 -19.656 2.356 -8.563 209 H LEU 28 H LEU 28 -19.769 2.488 -0.140 210 HA LEU 28 HA LEU 28 -17.584 3.612 1.321 211 1HB LEU 28 2HB LEU 28 -18.994 5.589 0.391 212 2HB LEU 28 1HB LEU 28 -20.180 5.096 1.586 213 HG LEU 28 HG LEU 28 -18.243 5.291 3.286 214 1HD1 LEU 28 3HD1 LEU 28 -17.132 6.801 0.934 215 2HD1 LEU 28 2HD1 LEU 28 -16.617 7.086 2.596 216 3HD1 LEU 28 1HD1 LEU 28 -16.371 5.504 1.857 217 1HD2 LEU 28 1HD2 LEU 28 -19.605 7.616 1.958 218 2HD2 LEU 28 3HD2 LEU 28 -20.057 6.782 3.445 219 3HD2 LEU 28 2HD2 LEU 28 -18.614 7.795 3.406 220 H ASP 29 H ASP 29 -19.839 4.412 3.354 221 HA ASP 29 HA ASP 29 -20.693 3.382 5.216 222 1HB ASP 29 2HB ASP 29 -21.541 1.534 2.987 223 2HB ASP 29 1HB ASP 29 -21.973 1.198 4.660 224 H LYS 30 H LYS 30 -19.847 0.446 3.424 225 HA LYS 30 HA LYS 30 -18.036 -0.325 5.608 226 1HB LYS 30 2HB LYS 30 -18.794 -2.242 3.445 227 2HB LYS 30 1HB LYS 30 -18.507 -2.541 5.155 228 1HG LYS 30 2HG LYS 30 -20.665 -1.601 5.717 229 2HG LYS 30 1HG LYS 30 -20.944 -1.177 4.028 230 1HD LYS 30 2HD LYS 30 -21.984 -3.169 3.869 231 2HD LYS 30 1HD LYS 30 -20.373 -3.876 3.886 232 1HE LYS 30 2HE LYS 30 -22.239 -3.487 6.218 233 2HE LYS 30 1HE LYS 30 -21.699 -5.011 5.515 234 1HZ LYS 30 2HZ LYS 30 -19.366 -3.900 6.152 235 2HZ LYS 30 1HZ LYS 30 -20.340 -3.244 7.371 236 3HZ LYS 30 3HZ LYS 30 -20.226 -4.922 7.190 237 H HIS 31 H HIS 31 -18.024 1.097 2.659 238 HA HIS 31 HA HIS 31 -16.379 1.711 1.237 239 1HB HIS 31 2HB HIS 31 -14.365 0.177 2.840 240 2HB HIS 31 1HB HIS 31 -14.164 1.693 1.959 241 HD1 HIS 31 HD1 HIS 31 -15.030 3.861 3.115 242 HD2 HIS 31 HD2 HIS 31 -15.418 0.430 5.409 243 HE1 HIS 31 HE1 HIS 31 -15.619 4.653 5.427 244 HE2 HIS 31 HE2 HIS 31 -15.764 2.565 6.817 245 H ALA 32 H ALA 32 -17.710 0.071 -0.002 246 HA ALA 32 HA ALA 32 -16.248 -2.347 -0.713 247 1HB ALA 32 2HB ALA 32 -18.813 -2.158 -0.416 248 2HB ALA 32 1HB ALA 32 -18.790 -1.442 -2.028 249 3HB ALA 32 3HB ALA 32 -18.186 -3.081 -1.780 250 H ARG 33 H ARG 33 -16.991 -2.520 -3.408 251 HA ARG 33 HA ARG 33 -15.136 -0.585 -4.598 252 1HB ARG 33 2HB ARG 33 -15.165 -3.232 -4.794 253 2HB ARG 33 1HB ARG 33 -16.267 -2.899 -6.116 254 1HG ARG 33 2HG ARG 33 -13.963 -1.221 -6.395 255 2HG ARG 33 1HG ARG 33 -13.422 -2.878 -6.113 256 1HD ARG 33 2HD ARG 33 -13.784 -2.184 -8.527 257 2HD ARG 33 1HD ARG 33 -14.553 -3.682 -8.004 258 HE ARG 33 HE ARG 33 -16.564 -2.035 -7.661 259 1HH1 ARG 33 1HH2 ARG 33 -14.251 -2.097 -10.265 260 2HH1 ARG 33 2HH2 ARG 33 -15.360 -1.467 -11.438 261 1HH2 ARG 33 2HH1 ARG 33 -18.033 -1.209 -9.198 262 2HH2 ARG 33 1HH1 ARG 33 -17.510 -0.961 -10.830 263 H SER 34 H SER 34 -18.407 -1.778 -4.725 264 HA SER 34 HA SER 34 -19.498 0.593 -5.735 265 1HB SER 34 2HB SER 34 -20.155 -0.051 -7.983 266 2HB SER 34 1HB SER 34 -18.402 -0.149 -7.843 267 HG SER 34 HG SER 34 -20.078 -2.393 -7.445 268 H GLY 35 H GLY 35 -21.822 -0.261 -6.922 269 1HA GLY 35 2HA GLY 35 -22.883 -2.467 -5.347 270 2HA GLY 35 1HA GLY 35 -23.525 -0.880 -4.958 271 H GLU 36 H GLU 36 -25.317 -2.636 -5.657 272 HA GLU 36 HA GLU 36 -26.616 -1.525 -7.874 273 1HB GLU 36 2HB GLU 36 -24.682 -3.360 -8.664 274 2HB GLU 36 1HB GLU 36 -26.167 -4.297 -8.700 275 1HG GLU 36 2HG GLU 36 -27.122 -2.312 -10.039 276 2HG GLU 36 1HG GLU 36 -25.432 -1.863 -10.273 277 H CYS 37 H CYS 37 -28.778 -2.166 -7.936 278 HA CYS 37 HA CYS 37 -29.615 -3.758 -5.657 279 1HB CYS 37 2HB CYS 37 -31.172 -2.063 -7.605 280 2HB CYS 37 1HB CYS 37 -31.900 -2.955 -6.274 281 H PHE 38 H PHE 38 -31.265 -5.393 -5.810 282 HA PHE 38 HA PHE 38 -31.657 -6.652 -8.413 283 1HB PHE 38 2HB PHE 38 -30.113 -7.863 -6.146 284 2HB PHE 38 1HB PHE 38 -31.056 -8.902 -7.209 285 HD1 PHE 38 HD1 PHE 38 -30.462 -9.134 -9.563 286 HD2 PHE 38 HD2 PHE 38 -28.117 -6.785 -6.902 287 HE1 PHE 38 HE1 PHE 38 -28.616 -9.143 -11.189 288 HE2 PHE 38 HE2 PHE 38 -26.266 -6.789 -8.523 289 HZ PHE 38 HZ PHE 38 -26.513 -7.969 -10.670 290 H TYR 39 H TYR 39 -33.534 -7.845 -8.556 291 HA TYR 39 HA TYR 39 -35.423 -7.463 -6.393 292 1HB TYR 39 2HB TYR 39 -35.631 -8.290 -9.254 293 2HB TYR 39 1HB TYR 39 -36.954 -8.666 -8.154 294 HD1 TYR 39 HD2 TYR 39 -38.135 -6.788 -6.969 295 HD2 TYR 39 HD1 TYR 39 -35.316 -6.098 -10.086 296 HE1 TYR 39 HE2 TYR 39 -39.024 -4.513 -7.265 297 HE2 TYR 39 HE1 TYR 39 -36.199 -3.821 -10.386 298 HH TYR 39 HH TYR 39 -38.587 -2.687 -9.864 299 H ASP 40 H ASP 40 -37.034 -9.332 -6.060 300 HA ASP 40 HA ASP 40 -35.517 -11.828 -5.629 301 1HB ASP 40 2HB ASP 40 -36.658 -12.159 -3.567 302 2HB ASP 40 1HB ASP 40 -36.114 -10.485 -3.559 303 H GLU 41 H GLU 41 -37.244 -13.662 -5.094 304 HA GLU 41 HA GLU 41 -38.593 -14.136 -7.520 305 1HB GLU 41 2HB GLU 41 -39.660 -16.046 -6.005 306 2HB GLU 41 1HB GLU 41 -37.998 -16.125 -6.570 307 1HG GLU 41 2HG GLU 41 -37.125 -15.601 -4.497 308 2HG GLU 41 1HG GLU 41 -38.626 -14.860 -3.941 309 H LYS 42 H LYS 42 -39.484 -11.744 -6.012 310 HA LYS 42 HA LYS 42 -42.342 -12.229 -6.295 311 1HB LYS 42 2HB LYS 42 -42.162 -12.559 -3.962 312 2HB LYS 42 1HB LYS 42 -40.989 -11.265 -3.784 313 1HG LYS 42 2HG LYS 42 -43.092 -10.589 -2.847 314 2HG LYS 42 1HG LYS 42 -42.759 -9.622 -4.279 315 1HD LYS 42 2HD LYS 42 -45.061 -10.236 -4.344 316 2HD LYS 42 1HD LYS 42 -44.231 -11.193 -5.570 317 1HE LYS 42 2HE LYS 42 -44.382 -13.149 -4.321 318 2HE LYS 42 1HE LYS 42 -44.633 -12.278 -2.809 319 1HZ LYS 42 1HZ LYS 42 -46.740 -11.573 -4.441 320 2HZ LYS 42 3HZ LYS 42 -46.559 -13.242 -4.652 321 3HZ LYS 42 2HZ LYS 42 -46.791 -12.605 -3.103 322 H ARG 43 H ARG 43 -40.518 -9.590 -4.857 323 HA ARG 43 HA ARG 43 -40.306 -7.924 -7.090 324 1HB ARG 43 2HB ARG 43 -42.790 -7.954 -6.975 325 2HB ARG 43 1HB ARG 43 -42.696 -7.256 -5.369 326 1HG ARG 43 2HG ARG 43 -41.174 -5.714 -7.305 327 2HG ARG 43 1HG ARG 43 -42.863 -5.875 -7.779 328 1HD ARG 43 2HD ARG 43 -42.085 -3.904 -6.248 329 2HD ARG 43 1HD ARG 43 -43.626 -4.709 -5.963 330 HE ARG 43 HE ARG 43 -41.270 -5.603 -4.476 331 1HH1 ARG 43 1HH2 ARG 43 -44.356 -3.987 -4.529 332 2HH1 ARG 43 2HH2 ARG 43 -44.549 -4.026 -2.808 333 1HH2 ARG 43 2HH1 ARG 43 -41.517 -5.663 -2.215 334 2HH2 ARG 43 1HH1 ARG 43 -42.935 -4.981 -1.491 335 H ASN 44 H ASN 44 -39.373 -8.730 -4.184 336 HA ASN 44 HA ASN 44 -38.991 -6.075 -3.064 337 1HB ASN 44 2HB ASN 44 -37.836 -8.605 -1.920 338 2HB ASN 44 1HB ASN 44 -38.291 -7.124 -1.082 339 1HD2 ASN 44 2HD2 ASN 44 -41.272 -8.557 -0.116 340 2HD2 ASN 44 1HD2 ASN 44 -39.853 -7.653 0.278 341 H LEU 45 H LEU 45 -37.153 -4.944 -3.130 342 HA LEU 45 HA LEU 45 -35.011 -5.973 -4.795 343 1HB LEU 45 2HB LEU 45 -35.826 -3.277 -3.838 344 2HB LEU 45 1HB LEU 45 -34.176 -3.522 -4.379 345 HG LEU 45 HG LEU 45 -36.407 -4.407 -6.153 346 1HD1 LEU 45 1HD1 LEU 45 -35.790 -1.603 -5.427 347 2HD1 LEU 45 3HD1 LEU 45 -36.030 -1.956 -7.139 348 3HD1 LEU 45 2HD1 LEU 45 -37.299 -2.332 -5.974 349 1HD2 LEU 45 1HD2 LEU 45 -33.744 -4.574 -6.414 350 2HD2 LEU 45 3HD2 LEU 45 -34.835 -4.384 -7.784 351 3HD2 LEU 45 2HD2 LEU 45 -34.004 -2.984 -7.126 352 H GLN 46 H GLN 46 -32.778 -5.626 -4.241 353 HA GLN 46 HA GLN 46 -32.166 -5.523 -1.382 354 1HB GLN 46 2HB GLN 46 -31.421 -7.790 -3.236 355 2HB GLN 46 1HB GLN 46 -30.605 -7.499 -1.705 356 1HG GLN 46 2HG GLN 46 -32.607 -7.903 -0.479 357 2HG GLN 46 1HG GLN 46 -33.564 -7.963 -1.959 358 1HE2 GLN 46 2HE2 GLN 46 -32.746 -11.393 -0.669 359 2HE2 GLN 46 1HE2 GLN 46 -33.378 -9.969 0.078 360 H CYS 47 H CYS 47 -30.282 -4.497 -0.953 361 HA CYS 47 HA CYS 47 -28.921 -3.260 -3.185 362 1HB CYS 47 2HB CYS 47 -29.442 -2.586 -0.466 363 2HB CYS 47 1HB CYS 47 -27.697 -2.573 -0.687 364 H ILE 48 H ILE 48 -27.546 -4.637 -4.195 365 HA ILE 48 HA ILE 48 -25.782 -6.340 -2.635 366 HB ILE 48 HB ILE 48 -26.351 -6.120 -5.576 367 1HG1 ILE 48 2HG1 ILE 48 -27.117 -8.376 -5.350 368 2HG1 ILE 48 1HG1 ILE 48 -26.418 -8.517 -3.741 369 1HG2 ILE 48 2HG2 ILE 48 -24.012 -7.402 -4.233 370 2HG2 ILE 48 1HG2 ILE 48 -24.689 -8.110 -5.700 371 3HG2 ILE 48 3HG2 ILE 48 -24.071 -6.458 -5.722 372 1HD1 ILE 48 3HD1 ILE 48 -28.634 -6.608 -4.409 373 2HD1 ILE 48 2HD1 ILE 48 -28.902 -8.249 -3.826 374 3HD1 ILE 48 1HD1 ILE 48 -28.053 -7.080 -2.813 375 H CYS 49 H CYS 49 -23.905 -5.617 -1.920 376 HA CYS 49 HA CYS 49 -22.583 -3.371 -3.268 377 1HB CYS 49 2HB CYS 49 -22.126 -4.695 -0.588 378 2HB CYS 49 1HB CYS 49 -21.080 -3.436 -1.236 379 H ASP 50 H ASP 50 -21.069 -3.775 -4.710 380 HA ASP 50 HA ASP 50 -19.829 -6.415 -4.812 381 1HB ASP 50 2HB ASP 50 -20.782 -5.603 -6.884 382 2HB ASP 50 1HB ASP 50 -19.827 -4.127 -6.783 383 H TYR 51 H TYR 51 -17.946 -6.830 -4.094 384 HA TYR 51 HA TYR 51 -16.124 -4.662 -3.383 385 1HB TYR 51 2HB TYR 51 -16.279 -7.572 -2.618 386 2HB TYR 51 1HB TYR 51 -14.904 -6.554 -2.195 387 HD1 TYR 51 HD1 TYR 51 -18.644 -6.440 -1.982 388 HD2 TYR 51 HD2 TYR 51 -14.927 -5.630 -0.077 389 HE1 TYR 51 HE1 TYR 51 -19.847 -5.694 0.026 390 HE2 TYR 51 HE2 TYR 51 -16.120 -4.873 1.937 391 HH TYR 51 HH TYR 51 -18.438 -3.931 2.460 392 H CYS 52 H CYS 52 -15.030 -7.897 -4.036 393 HA CYS 52 HA CYS 52 -13.432 -8.678 -5.466 394 1HB CYS 52 2HB CYS 52 -14.668 -6.890 -7.543 395 2HB CYS 52 1HB CYS 52 -13.942 -8.478 -7.765 396 H GLU 53 H GLU 53 -12.937 -6.092 -4.037 397 HA GLU 53 HA GLU 53 -11.633 -4.161 -5.402 398 1HB GLU 53 2HB GLU 53 -11.813 -4.116 -2.985 399 2HB GLU 53 1HB GLU 53 -10.709 -5.478 -2.845 400 1HG GLU 53 2HG GLU 53 -8.869 -4.188 -3.547 401 2HG GLU 53 1HG GLU 53 -9.906 -2.876 -4.104 402 H TYR 54 HN TYR 54 -10.477 -4.556 -7.192 403 HA TYR 54 HA TYR 54 -8.396 -6.605 -7.169 404 1HB TYR 54 2HB TYR 54 -9.284 -6.857 -9.239 405 2HB TYR 54 1HB TYR 54 -10.017 -5.259 -9.214 406 HD1 TYR 54 HD1 TYR 54 -6.867 -7.082 -9.904 407 HD2 TYR 54 HD2 TYR 54 -9.036 -3.454 -10.383 408 HE1 TYR 54 HE1 TYR 54 -5.181 -6.293 -11.512 409 HE2 TYR 54 HE2 TYR 54 -7.358 -2.655 -11.994 410 HH TYR 54 HH TYR 54 -5.089 -3.039 -12.630 No H/Q in entry = 410 Start of MODEL 6 1 HN PCA 1 HN PCA 1 -10.319 -13.406 -5.270 2 HA PCA 1 HA PCA 1 -8.665 -14.421 -3.618 3 1HB PCA 1 1HB PCA 1 -8.109 -13.095 -1.873 4 2HB PCA 1 2HB PCA 1 -9.773 -13.186 -1.250 5 1HG PCA 1 1HG PCA 1 -8.500 -11.005 -2.672 6 2HG PCA 1 2HG PCA 1 -10.152 -11.074 -2.033 7 H ASP 2 H ASP 2 -11.929 -13.405 -2.591 8 HA ASP 2 HA ASP 2 -12.984 -16.042 -2.849 9 1HB ASP 2 2HB ASP 2 -13.609 -16.091 -0.313 10 2HB ASP 2 1HB ASP 2 -12.026 -16.663 -0.829 11 H LYS 3 H LYS 3 -14.474 -14.862 -4.102 12 HA LYS 3 HA LYS 3 -16.472 -13.854 -4.491 13 1HB LYS 3 2HB LYS 3 -16.694 -15.032 -1.900 14 2HB LYS 3 1HB LYS 3 -17.549 -13.497 -1.866 15 1HG LYS 3 2HG LYS 3 -18.989 -14.148 -3.620 16 2HG LYS 3 1HG LYS 3 -17.995 -15.551 -4.013 17 1HD LYS 3 2HD LYS 3 -18.534 -16.306 -1.592 18 2HD LYS 3 1HD LYS 3 -19.844 -15.129 -1.692 19 1HE LYS 3 2HE LYS 3 -20.815 -16.263 -3.550 20 2HE LYS 3 1HE LYS 3 -19.410 -17.313 -3.720 21 1HZ LYS 3 1HZ LYS 3 -20.305 -17.652 -1.132 22 2HZ LYS 3 3HZ LYS 3 -21.700 -17.652 -2.090 23 3HZ LYS 3 2HZ LYS 3 -20.452 -18.745 -2.414 24 H CYS 4 H CYS 4 -17.742 -11.838 -4.081 25 HA CYS 4 HA CYS 4 -16.509 -9.767 -2.539 26 1HB CYS 4 2HB CYS 4 -15.523 -10.187 -5.158 27 2HB CYS 4 1HB CYS 4 -16.492 -8.724 -5.227 28 H LYS 5 H LYS 5 -19.157 -10.869 -2.664 29 HA LYS 5 HA LYS 5 -20.600 -8.394 -3.160 30 1HB LYS 5 2HB LYS 5 -22.354 -9.487 -4.501 31 2HB LYS 5 1HB LYS 5 -20.793 -9.479 -5.307 32 1HG LYS 5 2HG LYS 5 -21.238 -11.646 -5.705 33 2HG LYS 5 1HG LYS 5 -20.697 -11.878 -4.041 34 1HD LYS 5 2HD LYS 5 -23.139 -11.489 -3.382 35 2HD LYS 5 1HD LYS 5 -23.508 -11.708 -5.094 36 1HE LYS 5 2HE LYS 5 -22.009 -13.701 -3.401 37 2HE LYS 5 1HE LYS 5 -23.738 -13.782 -3.743 38 1HZ LYS 5 3HZ LYS 5 -22.250 -13.475 -6.138 39 2HZ LYS 5 2HZ LYS 5 -21.695 -14.817 -5.271 40 3HZ LYS 5 1HZ LYS 5 -23.326 -14.704 -5.699 41 H LYS 6 H LYS 6 -22.005 -8.008 -1.571 42 HA LYS 6 HA LYS 6 -23.464 -10.191 -0.347 43 1HB LYS 6 2HB LYS 6 -22.609 -10.112 1.779 44 2HB LYS 6 1HB LYS 6 -21.156 -9.796 0.845 45 1HG LYS 6 2HG LYS 6 -21.414 -7.395 1.263 46 2HG LYS 6 1HG LYS 6 -22.866 -7.721 2.210 47 1HD LYS 6 2HD LYS 6 -21.350 -7.644 3.906 48 2HD LYS 6 1HD LYS 6 -21.214 -9.353 3.491 49 1HE LYS 6 2HE LYS 6 -19.379 -7.101 2.700 50 2HE LYS 6 1HE LYS 6 -19.006 -8.501 3.704 51 1HZ LYS 6 2HZ LYS 6 -19.549 -9.858 1.647 52 2HZ LYS 6 1HZ LYS 6 -19.444 -8.409 0.782 53 3HZ LYS 6 3HZ LYS 6 -18.099 -8.990 1.630 54 H VAL 7 H VAL 7 -25.426 -9.591 0.428 55 HA VAL 7 HA VAL 7 -26.487 -7.089 -0.286 56 HB VAL 7 HB VAL 7 -28.525 -7.782 0.609 57 1HG1 VAL 7 2HG1 VAL 7 -26.996 -10.299 -0.037 58 2HG1 VAL 7 1HG1 VAL 7 -28.752 -10.144 -0.015 59 3HG1 VAL 7 3HG1 VAL 7 -27.801 -9.237 -1.192 60 1HG2 VAL 7 2HG2 VAL 7 -26.884 -9.366 2.556 61 2HG2 VAL 7 1HG2 VAL 7 -28.121 -8.150 2.874 62 3HG2 VAL 7 3HG2 VAL 7 -28.584 -9.742 2.273 63 H TYR 8 H TYR 8 -27.113 -5.305 0.925 64 HA TYR 8 HA TYR 8 -25.369 -4.655 3.082 65 1HB TYR 8 2HB TYR 8 -25.911 -2.842 1.693 66 2HB TYR 8 1HB TYR 8 -27.630 -3.219 1.722 67 HD1 TYR 8 HD2 TYR 8 -24.851 -1.695 3.587 68 HD2 TYR 8 HD1 TYR 8 -29.037 -2.463 3.528 69 HE1 TYR 8 HE2 TYR 8 -25.171 -0.068 5.402 70 HE2 TYR 8 HE1 TYR 8 -29.366 -0.837 5.343 71 HH TYR 8 HH TYR 8 -26.614 0.820 6.848 72 H GLU 9 H GLU 9 -28.372 -6.159 2.902 73 HA GLU 9 HA GLU 9 -29.529 -7.205 4.603 74 1HB GLU 9 2HB GLU 9 -28.365 -5.343 6.655 75 2HB GLU 9 1HB GLU 9 -29.017 -6.957 6.871 76 1HG GLU 9 2HG GLU 9 -26.816 -7.172 5.090 77 2HG GLU 9 1HG GLU 9 -26.302 -6.183 6.455 78 H ASN 10 H ASN 10 -31.543 -6.808 5.404 79 HA ASN 10 HA ASN 10 -33.529 -5.604 4.887 80 1HB ASN 10 2HB ASN 10 -33.096 -5.968 7.334 81 2HB ASN 10 1HB ASN 10 -32.461 -4.327 7.406 82 1HD2 ASN 10 2HD2 ASN 10 -36.468 -4.980 6.955 83 2HD2 ASN 10 1HD2 ASN 10 -35.320 -6.208 6.555 84 H TYR 11 H TYR 11 -31.794 -4.379 3.174 85 HA TYR 11 HA TYR 11 -31.301 -1.670 3.589 86 1HB TYR 11 2HB TYR 11 -30.351 -3.016 1.731 87 2HB TYR 11 1HB TYR 11 -31.931 -3.002 0.952 88 HD1 TYR 11 HD1 TYR 11 -32.882 -0.834 0.146 89 HD2 TYR 11 HD2 TYR 11 -28.879 -1.162 1.553 90 HE1 TYR 11 HE1 TYR 11 -32.325 1.293 -0.955 91 HE2 TYR 11 HE2 TYR 11 -28.313 0.965 0.456 92 HH TYR 11 HH TYR 11 -29.097 2.387 -1.322 93 HA PRO 12 HA PRO 12 -35.461 0.052 3.902 94 1HB PRO 12 2HB PRO 12 -34.017 2.292 2.526 95 2HB PRO 12 1HB PRO 12 -35.155 2.357 3.878 96 1HG PRO 12 2HG PRO 12 -32.528 2.551 4.290 97 2HG PRO 12 1HG PRO 12 -33.571 1.670 5.419 98 1HD PRO 12 2HD PRO 12 -31.603 0.629 3.464 99 2HD PRO 12 1HD PRO 12 -32.187 -0.093 4.976 100 H VAL 13 H VAL 13 -36.249 -1.458 2.286 101 HA VAL 13 HA VAL 13 -35.912 -1.281 -0.450 102 HB VAL 13 HB VAL 13 -38.611 -1.962 0.649 103 1HG1 VAL 13 2HG1 VAL 13 -37.853 -2.063 -1.827 104 2HG1 VAL 13 1HG1 VAL 13 -37.005 -3.529 -1.330 105 3HG1 VAL 13 3HG1 VAL 13 -38.755 -3.419 -1.148 106 1HG2 VAL 13 1HG2 VAL 13 -36.049 -3.446 1.127 107 2HG2 VAL 13 3HG2 VAL 13 -37.343 -3.062 2.263 108 3HG2 VAL 13 2HG2 VAL 13 -37.589 -4.298 1.029 109 H SER 14 H SER 14 -35.929 0.709 -1.344 110 HA SER 14 HA SER 14 -38.355 1.828 -2.171 111 1HB SER 14 2HB SER 14 -37.808 4.117 -0.884 112 2HB SER 14 1HB SER 14 -38.866 2.883 -0.200 113 HG SER 14 HG SER 14 -37.459 2.552 1.317 114 H LYS 15 H LYS 15 -35.546 3.713 -1.125 115 HA LYS 15 HA LYS 15 -35.152 4.806 -3.717 116 1HB LYS 15 2HB LYS 15 -33.256 4.812 -1.361 117 2HB LYS 15 1HB LYS 15 -33.167 5.865 -2.766 118 1HG LYS 15 2HG LYS 15 -35.620 6.495 -2.002 119 2HG LYS 15 1HG LYS 15 -35.007 5.954 -0.438 120 1HD LYS 15 2HD LYS 15 -34.387 8.147 -0.316 121 2HD LYS 15 1HD LYS 15 -32.962 7.511 -1.140 122 1HE LYS 15 2HE LYS 15 -35.308 8.965 -2.338 123 2HE LYS 15 1HE LYS 15 -33.617 9.461 -2.320 124 1HZ LYS 15 3HZ LYS 15 -34.644 7.069 -3.747 125 2HZ LYS 15 2HZ LYS 15 -34.353 8.565 -4.481 126 3HZ LYS 15 1HZ LYS 15 -33.070 7.688 -3.813 127 H CYS 16 H CYS 16 -34.668 3.347 -5.282 128 HA CYS 16 HA CYS 16 -32.025 2.373 -5.489 129 1HB CYS 16 2HB CYS 16 -33.796 0.675 -4.054 130 2HB CYS 16 1HB CYS 16 -33.510 -0.087 -5.613 131 H GLN 17 H GLN 17 -31.857 3.012 -7.550 132 HA GLN 17 HA GLN 17 -32.730 1.579 -9.696 133 1HB GLN 17 2HB GLN 17 -34.859 3.240 -8.651 134 2HB GLN 17 1HB GLN 17 -34.479 3.720 -10.293 135 1HG GLN 17 2HG GLN 17 -34.942 1.576 -11.140 136 2HG GLN 17 1HG GLN 17 -34.979 0.867 -9.529 137 1HE2 GLN 17 2HE2 GLN 17 -38.278 1.807 -8.831 138 2HE2 GLN 17 1HE2 GLN 17 -36.763 1.292 -8.178 139 H LEU 18 H LEU 18 -30.483 3.125 -8.844 140 HA LEU 18 HA LEU 18 -29.831 4.409 -11.293 141 1HB LEU 18 2HB LEU 18 -30.842 6.029 -9.088 142 2HB LEU 18 1HB LEU 18 -29.254 6.553 -9.615 143 HG LEU 18 HG LEU 18 -31.440 6.113 -11.601 144 1HD1 LEU 18 1HD1 LEU 18 -31.043 8.489 -9.815 145 2HD1 LEU 18 3HD1 LEU 18 -31.830 8.620 -11.388 146 3HD1 LEU 18 2HD1 LEU 18 -32.524 7.588 -10.138 147 1HD2 LEU 18 3HD2 LEU 18 -29.121 6.414 -12.379 148 2HD2 LEU 18 2HD2 LEU 18 -30.190 7.712 -12.912 149 3HD2 LEU 18 1HD2 LEU 18 -29.076 7.981 -11.571 150 H ALA 19 H ALA 19 -27.642 4.728 -11.548 151 HA ALA 19 HA ALA 19 -25.890 3.155 -10.025 152 1HB ALA 19 2HB ALA 19 -25.565 3.844 -12.405 153 2HB ALA 19 1HB ALA 19 -25.113 5.447 -11.820 154 3HB ALA 19 3HB ALA 19 -24.138 4.042 -11.388 155 H ASN 20 H ASN 20 -26.976 4.445 -8.021 156 HA ASN 20 HA ASN 20 -24.784 6.032 -6.966 157 1HB ASN 20 2HB ASN 20 -26.190 7.760 -7.887 158 2HB ASN 20 1HB ASN 20 -27.623 7.058 -7.143 159 1HD2 ASN 20 2HD2 ASN 20 -24.919 8.712 -4.554 160 2HD2 ASN 20 1HD2 ASN 20 -24.392 7.676 -5.831 161 H GLN 21 H GLN 21 -27.562 6.571 -5.211 162 HA GLN 21 HA GLN 21 -27.461 5.939 -2.855 163 1HB GLN 21 2HB GLN 21 -29.347 4.528 -4.682 164 2HB GLN 21 1HB GLN 21 -29.337 4.069 -2.985 165 1HG GLN 21 2HG GLN 21 -30.996 5.851 -3.729 166 2HG GLN 21 1HG GLN 21 -30.040 6.171 -2.283 167 1HE2 GLN 21 2HE2 GLN 21 -28.274 8.869 -3.645 168 2HE2 GLN 21 1HE2 GLN 21 -28.328 7.668 -2.404 169 H CYS 22 H CYS 22 -27.918 2.806 -4.448 170 HA CYS 22 HA CYS 22 -26.629 1.332 -2.451 171 1HB CYS 22 2HB CYS 22 -28.184 0.649 -4.515 172 2HB CYS 22 1HB CYS 22 -26.625 0.264 -5.235 173 H ASN 23 H ASN 23 -25.427 2.164 -5.706 174 HA ASN 23 HA ASN 23 -22.876 1.124 -5.458 175 1HB ASN 23 2HB ASN 23 -24.269 2.677 -7.336 176 2HB ASN 23 1HB ASN 23 -22.844 3.632 -6.945 177 1HD2 ASN 23 2HD2 ASN 23 -20.632 0.928 -8.021 178 2HD2 ASN 23 1HD2 ASN 23 -20.893 1.873 -6.600 179 H TYR 24 H TYR 24 -23.770 4.551 -5.000 180 HA TYR 24 HA TYR 24 -21.372 5.458 -3.977 181 1HB TYR 24 2HB TYR 24 -22.681 7.293 -4.209 182 2HB TYR 24 1HB TYR 24 -24.157 6.366 -3.980 183 HD1 TYR 24 HD1 TYR 24 -21.272 7.106 -1.715 184 HD2 TYR 24 HD2 TYR 24 -25.463 7.412 -2.385 185 HE1 TYR 24 HE1 TYR 24 -21.548 8.108 0.511 186 HE2 TYR 24 HE2 TYR 24 -25.750 8.417 -0.160 187 HH TYR 24 HH TYR 24 -24.501 9.566 1.520 188 H ASP 25 H ASP 25 -24.190 4.319 -2.121 189 HA ASP 25 HA ASP 25 -23.150 4.509 0.419 190 1HB ASP 25 2HB ASP 25 -25.106 2.558 -0.776 191 2HB ASP 25 1HB ASP 25 -24.696 2.532 0.937 192 H CYS 26 H CYS 26 -23.266 1.417 -1.387 193 HA CYS 26 HA CYS 26 -21.649 -0.036 0.280 194 1HB CYS 26 2HB CYS 26 -21.626 -0.168 -2.745 195 2HB CYS 26 1HB CYS 26 -21.072 -1.434 -1.654 196 H LYS 27 H LYS 27 -20.668 2.130 -2.334 197 HA LYS 27 HA LYS 27 -17.917 1.685 -2.210 198 1HB LYS 27 2HB LYS 27 -19.333 3.010 -3.934 199 2HB LYS 27 1HB LYS 27 -19.067 4.380 -2.865 200 1HG LYS 27 2HG LYS 27 -16.804 4.456 -3.304 201 2HG LYS 27 1HG LYS 27 -16.737 2.768 -3.810 202 1HD LYS 27 2HD LYS 27 -16.492 4.276 -5.718 203 2HD LYS 27 1HD LYS 27 -17.967 3.316 -5.844 204 1HE LYS 27 2HE LYS 27 -19.337 5.123 -5.405 205 2HE LYS 27 1HE LYS 27 -18.064 6.019 -4.577 206 1HZ LYS 27 1HZ LYS 27 -16.963 6.126 -6.853 207 2HZ LYS 27 3HZ LYS 27 -18.460 5.655 -7.484 208 3HZ LYS 27 2HZ LYS 27 -18.326 7.098 -6.610 209 H LEU 28 H LEU 28 -19.604 2.513 0.386 210 HA LEU 28 HA LEU 28 -17.328 3.659 1.703 211 1HB LEU 28 2HB LEU 28 -18.371 5.618 0.540 212 2HB LEU 28 1HB LEU 28 -19.802 5.370 1.521 213 HG LEU 28 HG LEU 28 -18.088 5.580 3.515 214 1HD1 LEU 28 2HD1 LEU 28 -16.168 5.691 1.866 215 2HD1 LEU 28 1HD1 LEU 28 -16.736 7.313 1.468 216 3HD1 LEU 28 3HD1 LEU 28 -16.212 6.941 3.110 217 1HD2 LEU 28 1HD2 LEU 28 -19.986 7.066 3.121 218 2HD2 LEU 28 3HD2 LEU 28 -18.557 7.975 3.613 219 3HD2 LEU 28 2HD2 LEU 28 -19.048 7.954 1.920 220 H ASP 29 H ASP 29 -20.760 2.866 1.828 221 HA ASP 29 HA ASP 29 -20.955 2.850 4.664 222 1HB ASP 29 2HB ASP 29 -22.666 1.595 2.513 223 2HB ASP 29 1HB ASP 29 -23.074 1.551 4.227 224 H LYS 30 H LYS 30 -19.721 0.638 2.359 225 HA LYS 30 HA LYS 30 -19.221 -1.314 4.491 226 1HB LYS 30 2HB LYS 30 -20.996 -1.725 2.313 227 2HB LYS 30 1HB LYS 30 -19.578 -2.711 1.994 228 1HG LYS 30 2HG LYS 30 -21.021 -4.108 3.174 229 2HG LYS 30 1HG LYS 30 -19.851 -3.571 4.381 230 1HD LYS 30 2HD LYS 30 -21.459 -1.839 5.111 231 2HD LYS 30 1HD LYS 30 -22.631 -2.479 3.958 232 1HE LYS 30 2HE LYS 30 -23.157 -3.406 6.086 233 2HE LYS 30 1HE LYS 30 -22.428 -4.691 5.123 234 1HZ LYS 30 2HZ LYS 30 -20.489 -3.224 6.627 235 2HZ LYS 30 1HZ LYS 30 -21.661 -3.921 7.625 236 3HZ LYS 30 3HZ LYS 30 -20.766 -4.891 6.565 237 H HIS 31 H HIS 31 -17.924 0.787 2.475 238 HA HIS 31 HA HIS 31 -15.873 1.123 1.569 239 1HB HIS 31 2HB HIS 31 -14.678 -1.300 2.799 240 2HB HIS 31 1HB HIS 31 -14.114 0.368 2.811 241 HD1 HIS 31 HD1 HIS 31 -15.940 -2.110 4.817 242 HD2 HIS 31 HD2 HIS 31 -15.373 2.007 4.823 243 HE1 HIS 31 HE1 HIS 31 -16.697 -1.331 7.084 244 HE2 HIS 31 HE2 HIS 31 -16.416 1.173 7.038 245 H ALA 32 H ALA 32 -17.798 -0.529 0.178 246 HA ALA 32 HA ALA 32 -16.262 -2.604 -1.141 247 1HB ALA 32 1HB ALA 32 -18.888 -2.417 -0.583 248 2HB ALA 32 3HB ALA 32 -18.894 -1.814 -2.240 249 3HB ALA 32 2HB ALA 32 -18.245 -3.415 -1.885 250 H ARG 33 H ARG 33 -16.810 -2.571 -3.704 251 HA ARG 33 HA ARG 33 -15.555 -0.100 -4.667 252 1HB ARG 33 2HB ARG 33 -15.657 -2.920 -5.658 253 2HB ARG 33 1HB ARG 33 -15.386 -1.624 -6.815 254 1HG ARG 33 2HG ARG 33 -13.710 -2.129 -4.365 255 2HG ARG 33 1HG ARG 33 -13.301 -2.640 -6.003 256 1HD ARG 33 2HD ARG 33 -13.711 -0.059 -6.492 257 2HD ARG 33 1HD ARG 33 -13.276 0.070 -4.789 258 HE ARG 33 HE ARG 33 -11.149 -0.914 -5.320 259 1HH1 ARG 33 1HH2 ARG 33 -13.070 0.038 -8.075 260 2HH1 ARG 33 2HH2 ARG 33 -11.713 0.120 -9.146 261 1HH2 ARG 33 1HH1 ARG 33 -9.613 -0.361 -8.385 262 2HH2 ARG 33 2HH1 ARG 33 -9.369 -0.807 -6.729 263 H SER 34 H SER 34 -18.497 -1.904 -4.797 264 HA SER 34 HA SER 34 -19.940 0.202 -5.968 265 1HB SER 34 2HB SER 34 -20.557 -1.271 -8.084 266 2HB SER 34 1HB SER 34 -19.156 -0.201 -8.104 267 HG SER 34 HG SER 34 -17.828 -1.903 -7.908 268 H GLY 35 H GLY 35 -22.053 -1.178 -7.159 269 1HA GLY 35 2HA GLY 35 -22.915 -3.465 -5.764 270 2HA GLY 35 1HA GLY 35 -23.504 -2.042 -4.916 271 H GLU 36 H GLU 36 -25.533 -3.364 -5.619 272 HA GLU 36 HA GLU 36 -26.904 -1.842 -7.543 273 1HB GLU 36 2HB GLU 36 -25.338 -3.479 -8.899 274 2HB GLU 36 1HB GLU 36 -26.611 -4.639 -8.550 275 1HG GLU 36 2HG GLU 36 -27.144 -3.756 -10.647 276 2HG GLU 36 1HG GLU 36 -28.225 -2.939 -9.519 277 H CYS 37 H CYS 37 -29.107 -2.242 -7.557 278 HA CYS 37 HA CYS 37 -30.057 -3.934 -5.393 279 1HB CYS 37 2HB CYS 37 -30.883 -1.472 -6.599 280 2HB CYS 37 1HB CYS 37 -32.218 -2.611 -6.701 281 H PHE 38 H PHE 38 -30.293 -6.030 -5.933 282 HA PHE 38 HA PHE 38 -31.368 -6.715 -8.579 283 1HB PHE 38 2HB PHE 38 -29.794 -8.218 -6.519 284 2HB PHE 38 1HB PHE 38 -30.706 -9.093 -7.746 285 HD1 PHE 38 HD1 PHE 38 -30.188 -8.697 -10.159 286 HD2 PHE 38 HD2 PHE 38 -27.734 -7.202 -7.021 287 HE1 PHE 38 HE1 PHE 38 -28.345 -8.379 -11.757 288 HE2 PHE 38 HE2 PHE 38 -25.886 -6.882 -8.612 289 HZ PHE 38 HZ PHE 38 -26.190 -7.471 -10.985 290 H TYR 39 H TYR 39 -33.386 -7.341 -8.858 291 HA TYR 39 HA TYR 39 -35.208 -7.587 -6.662 292 1HB TYR 39 2HB TYR 39 -35.496 -7.960 -9.637 293 2HB TYR 39 1HB TYR 39 -36.831 -8.211 -8.520 294 HD1 TYR 39 HD1 TYR 39 -37.616 -6.241 -7.099 295 HD2 TYR 39 HD2 TYR 39 -34.904 -5.812 -10.361 296 HE1 TYR 39 HE1 TYR 39 -38.147 -3.838 -7.232 297 HE2 TYR 39 HE2 TYR 39 -35.419 -3.411 -10.482 298 HH TYR 39 HH TYR 39 -36.298 -1.639 -9.082 299 H ASP 40 H ASP 40 -36.837 -9.491 -6.772 300 HA ASP 40 HA ASP 40 -35.964 -12.042 -7.596 301 1HB ASP 40 2HB ASP 40 -35.584 -12.980 -5.266 302 2HB ASP 40 1HB ASP 40 -34.293 -11.964 -5.901 303 H GLU 41 H GLU 41 -37.384 -13.726 -6.966 304 HA GLU 41 HA GLU 41 -39.686 -14.195 -7.195 305 1HB GLU 41 2HB GLU 41 -40.326 -14.447 -4.580 306 2HB GLU 41 1HB GLU 41 -39.269 -15.560 -5.437 307 1HG GLU 41 2HG GLU 41 -37.325 -14.528 -4.568 308 2HG GLU 41 1HG GLU 41 -38.251 -13.167 -3.934 309 H LYS 42 H LYS 42 -39.708 -12.079 -4.322 310 HA LYS 42 HA LYS 42 -42.180 -10.875 -5.335 311 1HB LYS 42 2HB LYS 42 -42.249 -11.839 -3.092 312 2HB LYS 42 1HB LYS 42 -40.928 -10.796 -2.585 313 1HG LYS 42 2HG LYS 42 -42.378 -9.196 -2.023 314 2HG LYS 42 1HG LYS 42 -42.986 -9.144 -3.675 315 1HD LYS 42 2HD LYS 42 -43.932 -11.224 -1.722 316 2HD LYS 42 1HD LYS 42 -44.653 -9.616 -1.781 317 1HE LYS 42 2HE LYS 42 -46.001 -10.973 -3.160 318 2HE LYS 42 1HE LYS 42 -45.012 -10.010 -4.255 319 1HZ LYS 42 1HZ LYS 42 -43.924 -12.592 -3.481 320 2HZ LYS 42 3HZ LYS 42 -45.294 -12.636 -4.473 321 3HZ LYS 42 2HZ LYS 42 -43.906 -11.815 -4.983 322 H ARG 43 H ARG 43 -39.969 -10.017 -6.683 323 HA ARG 43 HA ARG 43 -38.468 -8.274 -6.960 324 1HB ARG 43 2HB ARG 43 -39.811 -6.288 -7.664 325 2HB ARG 43 1HB ARG 43 -40.331 -7.802 -8.380 326 1HG ARG 43 2HG ARG 43 -41.663 -6.870 -5.885 327 2HG ARG 43 1HG ARG 43 -42.056 -6.065 -7.403 328 1HD ARG 43 2HD ARG 43 -42.566 -8.887 -6.558 329 2HD ARG 43 1HD ARG 43 -43.667 -7.720 -7.276 330 HE ARG 43 HE ARG 43 -41.520 -9.065 -8.784 331 1HH1 ARG 43 1HH2 ARG 43 -44.785 -7.834 -8.557 332 2HH1 ARG 43 2HH2 ARG 43 -45.203 -8.312 -10.166 333 1HH2 ARG 43 2HH1 ARG 43 -42.079 -9.696 -10.893 334 2HH2 ARG 43 1HH1 ARG 43 -43.668 -9.358 -11.494 335 H ASN 44 H ASN 44 -37.748 -8.470 -4.572 336 HA ASN 44 HA ASN 44 -38.594 -6.149 -3.011 337 1HB ASN 44 2HB ASN 44 -37.400 -8.773 -2.363 338 2HB ASN 44 1HB ASN 44 -36.858 -7.433 -1.360 339 1HD2 ASN 44 2HD2 ASN 44 -40.894 -7.667 -1.297 340 2HD2 ASN 44 1HD2 ASN 44 -40.016 -7.344 -2.750 341 H LEU 45 H LEU 45 -36.258 -6.778 -5.223 342 HA LEU 45 HA LEU 45 -34.106 -6.030 -5.582 343 1HB LEU 45 2HB LEU 45 -33.980 -3.576 -5.636 344 2HB LEU 45 1HB LEU 45 -35.366 -4.233 -6.467 345 HG LEU 45 HG LEU 45 -35.502 -3.038 -3.695 346 1HD1 LEU 45 3HD1 LEU 45 -35.059 -1.657 -6.131 347 2HD1 LEU 45 2HD1 LEU 45 -36.736 -1.375 -5.674 348 3HD1 LEU 45 1HD1 LEU 45 -35.440 -0.986 -4.545 349 1HD2 LEU 45 1HD2 LEU 45 -37.374 -4.532 -5.236 350 2HD2 LEU 45 3HD2 LEU 45 -37.605 -3.758 -3.671 351 3HD2 LEU 45 2HD2 LEU 45 -37.948 -2.870 -5.152 352 H GLN 46 H GLN 46 -32.745 -6.945 -4.149 353 HA GLN 46 HA GLN 46 -32.324 -5.626 -1.573 354 1HB GLN 46 2HB GLN 46 -31.534 -8.274 -2.732 355 2HB GLN 46 1HB GLN 46 -30.598 -7.609 -1.399 356 1HG GLN 46 2HG GLN 46 -32.150 -8.963 -0.345 357 2HG GLN 46 1HG GLN 46 -32.863 -7.355 -0.208 358 1HE2 GLN 46 2HE2 GLN 46 -35.441 -9.797 -1.282 359 2HE2 GLN 46 1HE2 GLN 46 -34.340 -9.685 0.045 360 H CYS 47 H CYS 47 -30.497 -4.511 -1.064 361 HA CYS 47 HA CYS 47 -28.922 -3.536 -3.248 362 1HB CYS 47 2HB CYS 47 -29.594 -2.667 -0.633 363 2HB CYS 47 1HB CYS 47 -27.838 -2.724 -0.714 364 H ILE 48 H ILE 48 -27.574 -5.037 -4.094 365 HA ILE 48 HA ILE 48 -25.870 -6.638 -2.375 366 HB ILE 48 HB ILE 48 -25.934 -6.505 -5.392 367 1HG1 ILE 48 2HG1 ILE 48 -27.398 -8.206 -3.385 368 2HG1 ILE 48 1HG1 ILE 48 -28.050 -7.323 -4.762 369 1HG2 ILE 48 3HG2 ILE 48 -23.816 -7.347 -4.432 370 2HG2 ILE 48 2HG2 ILE 48 -24.727 -8.588 -3.571 371 3HG2 ILE 48 1HG2 ILE 48 -24.695 -8.581 -5.334 372 1HD1 ILE 48 1HD1 ILE 48 -26.555 -8.996 -6.123 373 2HD1 ILE 48 3HD1 ILE 48 -26.710 -9.969 -4.661 374 3HD1 ILE 48 2HD1 ILE 48 -28.153 -9.461 -5.539 375 H CYS 49 H CYS 49 -24.068 -5.810 -1.580 376 HA CYS 49 HA CYS 49 -22.756 -3.589 -2.932 377 1HB CYS 49 2HB CYS 49 -22.404 -4.864 -0.220 378 2HB CYS 49 1HB CYS 49 -21.288 -3.651 -0.837 379 H ASP 50 H ASP 50 -21.207 -3.958 -4.352 380 HA ASP 50 HA ASP 50 -19.784 -6.502 -4.324 381 1HB ASP 50 2HB ASP 50 -20.887 -5.457 -6.417 382 2HB ASP 50 1HB ASP 50 -19.485 -4.389 -6.442 383 H TYR 51 H TYR 51 -17.767 -6.717 -3.673 384 HA TYR 51 HA TYR 51 -16.280 -4.330 -2.880 385 1HB TYR 51 2HB TYR 51 -16.115 -7.238 -2.158 386 2HB TYR 51 1HB TYR 51 -14.809 -6.125 -1.756 387 HD1 TYR 51 HD2 TYR 51 -18.461 -6.661 -1.332 388 HD2 TYR 51 HD1 TYR 51 -14.935 -4.849 0.209 389 HE1 TYR 51 HE2 TYR 51 -19.691 -6.012 0.692 390 HE2 TYR 51 HE1 TYR 51 -16.154 -4.194 2.243 391 HH TYR 51 HH TYR 51 -19.560 -5.086 2.713 392 H CYS 52 H CYS 52 -16.494 -6.025 -5.621 393 HA CYS 52 HA CYS 52 -13.705 -5.470 -6.333 394 1HB CYS 52 2HB CYS 52 -15.123 -8.088 -6.869 395 2HB CYS 52 1HB CYS 52 -13.641 -7.597 -7.671 396 H GLU 53 H GLU 53 -16.356 -7.105 -8.031 397 HA GLU 53 HA GLU 53 -17.326 -6.694 -10.049 398 1HB GLU 53 2HB GLU 53 -17.957 -4.667 -8.343 399 2HB GLU 53 1HB GLU 53 -17.283 -3.760 -9.688 400 1HG GLU 53 2HG GLU 53 -19.497 -5.784 -9.922 401 2HG GLU 53 1HG GLU 53 -19.729 -4.040 -9.807 402 H TYR 54 HN TYR 54 -14.283 -6.323 -9.701 403 HA TYR 54 HA TYR 54 -13.488 -6.120 -12.297 404 1HB TYR 54 2HB TYR 54 -14.251 -3.514 -11.340 405 2HB TYR 54 1HB TYR 54 -12.520 -3.520 -11.607 406 HD1 TYR 54 HD1 TYR 54 -15.076 -5.391 -13.615 407 HD2 TYR 54 HD2 TYR 54 -12.336 -2.131 -13.455 408 HE1 TYR 54 HE1 TYR 54 -15.418 -4.991 -16.008 409 HE2 TYR 54 HE2 TYR 54 -12.679 -1.728 -15.854 410 HH TYR 54 HH TYR 54 -14.627 -3.900 -17.824 No H/Q in entry = 410 Start of MODEL 7 1 HN PCA 1 HN PCA 1 -18.025 -14.878 -8.595 2 HA PCA 1 HA PCA 1 -16.175 -16.643 -8.847 3 1HB PCA 1 1HB PCA 1 -14.281 -15.964 -9.888 4 2HB PCA 1 2HB PCA 1 -14.022 -14.677 -8.688 5 1HG PCA 1 1HG PCA 1 -15.219 -14.501 -11.353 6 2HG PCA 1 2HG PCA 1 -14.781 -13.186 -10.246 7 H ASP 2 H ASP 2 -16.090 -17.473 -6.864 8 HA ASP 2 HA ASP 2 -15.966 -17.663 -4.597 9 1HB ASP 2 2HB ASP 2 -13.596 -17.100 -5.155 10 2HB ASP 2 1HB ASP 2 -13.966 -15.408 -4.840 11 H LYS 3 H LYS 3 -18.087 -16.097 -5.481 12 HA LYS 3 HA LYS 3 -19.541 -14.423 -4.907 13 1HB LYS 3 2HB LYS 3 -18.597 -15.463 -2.235 14 2HB LYS 3 1HB LYS 3 -19.952 -14.357 -2.410 15 1HG LYS 3 2HG LYS 3 -20.835 -16.164 -4.077 16 2HG LYS 3 1HG LYS 3 -19.721 -17.221 -3.209 17 1HD LYS 3 2HD LYS 3 -20.844 -16.850 -1.147 18 2HD LYS 3 1HD LYS 3 -21.796 -15.527 -1.825 19 1HE LYS 3 2HE LYS 3 -22.819 -17.936 -1.532 20 2HE LYS 3 1HE LYS 3 -23.225 -16.932 -2.922 21 1HZ LYS 3 3HZ LYS 3 -21.065 -18.199 -3.827 22 2HZ LYS 3 2HZ LYS 3 -21.692 -19.388 -2.798 23 3HZ LYS 3 1HZ LYS 3 -22.644 -18.765 -4.050 24 H CYS 4 H CYS 4 -18.988 -12.454 -5.503 25 HA CYS 4 HA CYS 4 -17.179 -10.907 -3.760 26 1HB CYS 4 2HB CYS 4 -17.087 -11.432 -6.561 27 2HB CYS 4 1HB CYS 4 -17.395 -9.710 -6.352 28 H LYS 5 H LYS 5 -20.204 -11.321 -3.828 29 HA LYS 5 HA LYS 5 -20.870 -8.497 -3.539 30 1HB LYS 5 2HB LYS 5 -23.037 -8.903 -4.792 31 2HB LYS 5 1HB LYS 5 -21.580 -8.809 -5.770 32 1HG LYS 5 2HG LYS 5 -22.344 -10.694 -6.720 33 2HG LYS 5 1HG LYS 5 -21.721 -11.486 -5.274 34 1HD LYS 5 2HD LYS 5 -24.061 -10.924 -4.283 35 2HD LYS 5 1HD LYS 5 -24.536 -10.759 -5.975 36 1HE LYS 5 2HE LYS 5 -23.324 -13.081 -6.199 37 2HE LYS 5 1HE LYS 5 -23.661 -13.177 -4.471 38 1HZ LYS 5 2HZ LYS 5 -26.037 -12.559 -5.165 39 2HZ LYS 5 1HZ LYS 5 -25.568 -13.037 -6.717 40 3HZ LYS 5 3HZ LYS 5 -25.511 -14.143 -5.437 41 H LYS 6 H LYS 6 -22.392 -8.085 -1.984 42 HA LYS 6 HA LYS 6 -23.858 -10.323 -0.803 43 1HB LYS 6 2HB LYS 6 -22.400 -8.454 1.037 44 2HB LYS 6 1HB LYS 6 -23.053 -10.050 1.370 45 1HG LYS 6 2HG LYS 6 -20.729 -9.639 -0.483 46 2HG LYS 6 1HG LYS 6 -20.528 -9.812 1.260 47 1HD LYS 6 2HD LYS 6 -22.180 -11.834 -0.158 48 2HD LYS 6 1HD LYS 6 -20.431 -11.896 -0.374 49 1HE LYS 6 2HE LYS 6 -21.443 -13.279 1.525 50 2HE LYS 6 1HE LYS 6 -20.044 -12.274 1.898 51 1HZ LYS 6 3HZ LYS 6 -22.860 -11.477 2.400 52 2HZ LYS 6 2HZ LYS 6 -21.830 -12.132 3.571 53 3HZ LYS 6 1HZ LYS 6 -21.470 -10.635 2.872 54 H VAL 7 H VAL 7 -25.846 -9.766 -0.109 55 HA VAL 7 HA VAL 7 -26.943 -7.270 -0.780 56 HB VAL 7 HB VAL 7 -28.973 -8.003 0.141 57 1HG1 VAL 7 3HG1 VAL 7 -27.357 -10.365 -0.781 58 2HG1 VAL 7 2HG1 VAL 7 -29.093 -10.448 -0.481 59 3HG1 VAL 7 1HG1 VAL 7 -28.463 -9.363 -1.721 60 1HG2 VAL 7 3HG2 VAL 7 -27.302 -9.726 1.953 61 2HG2 VAL 7 2HG2 VAL 7 -28.437 -8.448 2.392 62 3HG2 VAL 7 1HG2 VAL 7 -29.034 -9.977 1.744 63 H TYR 8 H TYR 8 -27.124 -5.405 0.297 64 HA TYR 8 HA TYR 8 -25.624 -4.951 2.650 65 1HB TYR 8 2HB TYR 8 -25.761 -3.037 1.376 66 2HB TYR 8 1HB TYR 8 -27.433 -3.338 0.914 67 HD1 TYR 8 HD2 TYR 8 -29.209 -3.053 2.791 68 HD2 TYR 8 HD1 TYR 8 -25.283 -1.427 2.985 69 HE1 TYR 8 HE2 TYR 8 -29.972 -1.428 4.470 70 HE2 TYR 8 HE1 TYR 8 -26.035 0.203 4.666 71 HH TYR 8 HH TYR 8 -29.050 -0.040 6.242 72 H GLU 9 H GLU 9 -28.482 -6.471 2.263 73 HA GLU 9 HA GLU 9 -29.826 -7.412 3.882 74 1HB GLU 9 2HB GLU 9 -29.087 -5.185 5.784 75 2HB GLU 9 1HB GLU 9 -29.892 -6.694 6.159 76 1HG GLU 9 2HG GLU 9 -27.973 -7.871 6.242 77 2HG GLU 9 1HG GLU 9 -27.231 -6.970 4.926 78 H ASN 10 H ASN 10 -30.828 -4.905 5.698 79 HA ASN 10 HA ASN 10 -33.340 -4.675 4.567 80 1HB ASN 10 2HB ASN 10 -31.853 -2.673 6.278 81 2HB ASN 10 1HB ASN 10 -33.582 -2.618 5.947 82 1HD2 ASN 10 2HD2 ASN 10 -34.426 -4.906 8.390 83 2HD2 ASN 10 1HD2 ASN 10 -34.919 -3.782 7.173 84 H TYR 11 H TYR 11 -32.652 -1.503 4.837 85 HA TYR 11 HA TYR 11 -31.856 0.140 3.354 86 1HB TYR 11 2HB TYR 11 -30.867 -1.724 1.883 87 2HB TYR 11 1HB TYR 11 -32.407 -1.697 1.025 88 HD1 TYR 11 HD2 TYR 11 -29.315 0.140 1.722 89 HD2 TYR 11 HD1 TYR 11 -33.010 0.170 -0.383 90 HE1 TYR 11 HE2 TYR 11 -28.499 1.996 0.329 91 HE2 TYR 11 HE1 TYR 11 -32.207 2.023 -1.783 92 HH TYR 11 HH TYR 11 -29.495 3.855 -1.039 93 HA PRO 12 HA PRO 12 -36.098 1.363 2.766 94 1HB PRO 12 2HB PRO 12 -35.749 3.855 1.807 95 2HB PRO 12 1HB PRO 12 -35.408 3.442 3.492 96 1HG PRO 12 2HG PRO 12 -33.512 3.734 1.193 97 2HG PRO 12 1HG PRO 12 -33.350 4.325 2.857 98 1HD PRO 12 2HD PRO 12 -32.143 2.056 1.957 99 2HD PRO 12 1HD PRO 12 -32.638 2.286 3.643 100 H VAL 13 H VAL 13 -36.397 -0.241 1.072 101 HA VAL 13 HA VAL 13 -35.774 0.023 -1.599 102 HB VAL 13 HB VAL 13 -38.428 -1.090 -0.732 103 1HG1 VAL 13 1HG1 VAL 13 -37.474 -0.960 -3.167 104 2HG1 VAL 13 3HG1 VAL 13 -36.540 -2.364 -2.654 105 3HG1 VAL 13 2HG1 VAL 13 -38.302 -2.412 -2.606 106 1HG2 VAL 13 1HG2 VAL 13 -35.697 -2.101 -0.090 107 2HG2 VAL 13 3HG2 VAL 13 -37.163 -2.117 0.890 108 3HG2 VAL 13 2HG2 VAL 13 -36.981 -3.256 -0.445 109 H SER 14 H SER 14 -36.069 1.825 -2.721 110 HA SER 14 HA SER 14 -38.645 2.646 -3.527 111 1HB SER 14 2HB SER 14 -38.362 5.045 -2.563 112 2HB SER 14 1HB SER 14 -38.988 3.777 -1.509 113 HG SER 14 HG SER 14 -37.408 4.389 -0.261 114 H LYS 15 H LYS 15 -35.880 4.778 -2.891 115 HA LYS 15 HA LYS 15 -35.798 5.718 -5.559 116 1HB LYS 15 2HB LYS 15 -33.772 5.909 -3.323 117 2HB LYS 15 1HB LYS 15 -33.608 6.734 -4.868 118 1HG LYS 15 2HG LYS 15 -36.109 7.508 -4.110 119 2HG LYS 15 1HG LYS 15 -35.293 7.385 -2.553 120 1HD LYS 15 2HD LYS 15 -35.014 9.622 -3.325 121 2HD LYS 15 1HD LYS 15 -33.458 8.810 -3.503 122 1HE LYS 15 2HE LYS 15 -33.560 8.822 -5.789 123 2HE LYS 15 1HE LYS 15 -35.323 8.779 -5.821 124 1HZ LYS 15 2HZ LYS 15 -33.756 11.153 -4.977 125 2HZ LYS 15 1HZ LYS 15 -34.316 10.917 -6.555 126 3HZ LYS 15 3HZ LYS 15 -35.417 11.076 -5.280 127 H CYS 16 H CYS 16 -34.538 2.927 -4.075 128 HA CYS 16 HA CYS 16 -32.252 2.481 -5.667 129 1HB CYS 16 2HB CYS 16 -33.687 1.113 -3.609 130 2HB CYS 16 1HB CYS 16 -33.418 -0.023 -4.924 131 H GLN 17 H GLN 17 -32.922 3.049 -7.784 132 HA GLN 17 HA GLN 17 -34.385 0.891 -9.155 133 1HB GLN 17 2HB GLN 17 -34.735 3.863 -9.574 134 2HB GLN 17 1HB GLN 17 -35.369 2.635 -10.661 135 1HG GLN 17 2HG GLN 17 -36.066 2.718 -7.744 136 2HG GLN 17 1HG GLN 17 -36.974 3.607 -8.966 137 1HE2 GLN 17 2HE2 GLN 17 -37.470 -0.369 -8.466 138 2HE2 GLN 17 1HE2 GLN 17 -36.311 0.541 -7.563 139 H LEU 18 H LEU 18 -31.640 2.830 -8.958 140 HA LEU 18 HA LEU 18 -30.427 1.596 -11.219 141 1HB LEU 18 2HB LEU 18 -31.618 4.249 -11.505 142 2HB LEU 18 1HB LEU 18 -29.920 4.225 -11.943 143 HG LEU 18 HG LEU 18 -31.903 2.280 -13.073 144 1HD1 LEU 18 3HD1 LEU 18 -31.195 5.046 -13.970 145 2HD1 LEU 18 2HD1 LEU 18 -31.723 3.816 -15.118 146 3HD1 LEU 18 1HD1 LEU 18 -32.787 4.308 -13.799 147 1HD2 LEU 18 1HD2 LEU 18 -29.096 3.094 -13.752 148 2HD2 LEU 18 3HD2 LEU 18 -29.719 1.483 -13.390 149 3HD2 LEU 18 2HD2 LEU 18 -30.140 2.271 -14.910 150 H ALA 19 H ALA 19 -28.164 2.425 -11.548 151 HA ALA 19 HA ALA 19 -26.727 2.358 -9.165 152 1HB ALA 19 2HB ALA 19 -25.974 3.188 -11.948 153 2HB ALA 19 1HB ALA 19 -24.810 3.197 -10.625 154 3HB ALA 19 3HB ALA 19 -25.590 1.689 -11.102 155 H ASN 20 H ASN 20 -25.900 3.828 -7.819 156 HA ASN 20 HA ASN 20 -25.088 6.309 -7.952 157 1HB ASN 20 2HB ASN 20 -26.835 7.329 -9.100 158 2HB ASN 20 1HB ASN 20 -28.069 6.393 -8.263 159 1HD2 ASN 20 2HD2 ASN 20 -26.356 9.430 -6.122 160 2HD2 ASN 20 1HD2 ASN 20 -25.380 8.356 -7.059 161 H GLN 21 H GLN 21 -28.042 6.299 -6.134 162 HA GLN 21 HA GLN 21 -26.886 6.754 -3.680 163 1HB GLN 21 2HB GLN 21 -29.511 6.188 -4.678 164 2HB GLN 21 1HB GLN 21 -29.269 5.239 -3.219 165 1HG GLN 21 2HG GLN 21 -29.053 8.224 -3.517 166 2HG GLN 21 1HG GLN 21 -30.267 7.315 -2.616 167 1HE2 GLN 21 2HE2 GLN 21 -26.939 8.503 -0.820 168 2HE2 GLN 21 1HE2 GLN 21 -27.492 9.070 -2.354 169 H CYS 22 H CYS 22 -28.069 3.620 -4.904 170 HA CYS 22 HA CYS 22 -27.167 2.070 -2.758 171 1HB CYS 22 2HB CYS 22 -28.755 1.423 -4.664 172 2HB CYS 22 1HB CYS 22 -27.305 1.074 -5.597 173 H ASN 23 H ASN 23 -25.639 2.575 -5.936 174 HA ASN 23 HA ASN 23 -23.322 1.127 -5.541 175 1HB ASN 23 2HB ASN 23 -23.965 2.121 -7.697 176 2HB ASN 23 1HB ASN 23 -23.625 3.727 -7.062 177 1HD2 ASN 23 2HD2 ASN 23 -20.064 3.164 -7.002 178 2HD2 ASN 23 1HD2 ASN 23 -21.325 3.779 -5.994 179 H TYR 24 H TYR 24 -23.461 4.686 -5.282 180 HA TYR 24 HA TYR 24 -21.036 5.057 -4.022 181 1HB TYR 24 2HB TYR 24 -21.764 7.162 -4.385 182 2HB TYR 24 1HB TYR 24 -23.437 6.629 -4.469 183 HD1 TYR 24 HD2 TYR 24 -20.904 6.835 -1.731 184 HD2 TYR 24 HD1 TYR 24 -24.791 7.888 -3.102 185 HE1 TYR 24 HE2 TYR 24 -21.354 7.928 0.417 186 HE2 TYR 24 HE1 TYR 24 -25.253 8.987 -0.950 187 HH TYR 24 HH TYR 24 -22.903 8.904 1.704 188 H ASP 25 H ASP 25 -24.211 4.474 -2.524 189 HA ASP 25 HA ASP 25 -23.540 4.694 0.131 190 1HB ASP 25 2HB ASP 25 -25.471 2.897 -1.304 191 2HB ASP 25 1HB ASP 25 -25.265 2.771 0.440 192 H CYS 26 H CYS 26 -23.509 1.606 -1.685 193 HA CYS 26 HA CYS 26 -22.235 0.130 0.303 194 1HB CYS 26 2HB CYS 26 -22.080 -0.175 -2.707 195 2HB CYS 26 1HB CYS 26 -21.459 -1.361 -1.567 196 H LYS 27 H LYS 27 -20.906 2.081 -2.311 197 HA LYS 27 HA LYS 27 -18.200 1.503 -1.946 198 1HB LYS 27 2HB LYS 27 -19.329 2.738 -3.872 199 2HB LYS 27 1HB LYS 27 -19.247 4.174 -2.858 200 1HG LYS 27 2HG LYS 27 -16.967 4.331 -3.021 201 2HG LYS 27 1HG LYS 27 -16.760 2.607 -3.329 202 1HD LYS 27 2HD LYS 27 -17.678 2.881 -5.569 203 2HD LYS 27 1HD LYS 27 -17.943 4.598 -5.263 204 1HE LYS 27 2HE LYS 27 -15.281 3.181 -5.324 205 2HE LYS 27 1HE LYS 27 -15.919 4.258 -6.566 206 1HZ LYS 27 1HZ LYS 27 -15.967 5.548 -4.055 207 2HZ LYS 27 3HZ LYS 27 -14.412 4.950 -4.349 208 3HZ LYS 27 2HZ LYS 27 -15.142 5.995 -5.461 209 H LEU 28 H LEU 28 -20.041 2.606 0.462 210 HA LEU 28 HA LEU 28 -17.792 3.697 1.874 211 1HB LEU 28 2HB LEU 28 -18.720 5.605 0.450 212 2HB LEU 28 1HB LEU 28 -20.112 5.568 1.516 213 HG LEU 28 HG LEU 28 -18.023 5.702 3.305 214 1HD1 LEU 28 3HD1 LEU 28 -17.318 7.411 0.926 215 2HD1 LEU 28 2HD1 LEU 28 -16.588 7.543 2.526 216 3HD1 LEU 28 1HD1 LEU 28 -16.375 6.071 1.579 217 1HD2 LEU 28 2HD2 LEU 28 -20.129 6.978 3.363 218 2HD2 LEU 28 1HD2 LEU 28 -18.720 7.987 3.687 219 3HD2 LEU 28 3HD2 LEU 28 -19.499 8.043 2.106 220 H ASP 29 H ASP 29 -21.072 2.640 1.770 221 HA ASP 29 HA ASP 29 -21.765 3.170 4.466 222 1HB ASP 29 2HB ASP 29 -22.844 1.349 2.337 223 2HB ASP 29 1HB ASP 29 -23.440 1.225 3.989 224 H LYS 30 H LYS 30 -21.041 0.033 2.927 225 HA LYS 30 HA LYS 30 -20.137 -0.967 5.536 226 1HB LYS 30 2HB LYS 30 -20.857 -2.449 3.001 227 2HB LYS 30 1HB LYS 30 -20.326 -3.207 4.497 228 1HG LYS 30 2HG LYS 30 -22.353 -1.854 5.503 229 2HG LYS 30 1HG LYS 30 -22.922 -1.922 3.834 230 1HD LYS 30 2HD LYS 30 -22.763 -4.342 3.848 231 2HD LYS 30 1HD LYS 30 -22.093 -4.310 5.482 232 1HE LYS 30 2HE LYS 30 -24.822 -4.423 4.721 233 2HE LYS 30 1HE LYS 30 -24.156 -4.308 6.350 234 1HZ LYS 30 1HZ LYS 30 -24.131 -1.889 6.106 235 2HZ LYS 30 3HZ LYS 30 -24.836 -2.028 4.574 236 3HZ LYS 30 2HZ LYS 30 -25.692 -2.519 5.948 237 H HIS 31 H HIS 31 -18.721 0.685 3.293 238 HA HIS 31 HA HIS 31 -16.557 0.960 2.636 239 1HB HIS 31 2HB HIS 31 -15.776 -1.479 4.213 240 2HB HIS 31 1HB HIS 31 -14.822 -0.041 3.865 241 HD1 HIS 31 HD1 HIS 31 -15.368 -1.218 6.754 242 HD2 HIS 31 HD2 HIS 31 -17.346 1.988 5.000 243 HE1 HIS 31 HE1 HIS 31 -16.277 0.138 8.666 244 HE2 HIS 31 HE2 HIS 31 -17.414 2.108 7.584 245 H ALA 32 H ALA 32 -18.326 -0.525 1.016 246 HA ALA 32 HA ALA 32 -16.834 -2.803 0.017 247 1HB ALA 32 1HB ALA 32 -19.436 -2.496 0.189 248 2HB ALA 32 3HB ALA 32 -19.226 -1.742 -1.391 249 3HB ALA 32 2HB ALA 32 -18.714 -3.410 -1.135 250 H ARG 33 H ARG 33 -17.020 -2.845 -2.597 251 HA ARG 33 HA ARG 33 -15.326 -0.617 -3.431 252 1HB ARG 33 2HB ARG 33 -14.143 -2.305 -4.312 253 2HB ARG 33 1HB ARG 33 -15.431 -3.448 -4.002 254 1HG ARG 33 2HG ARG 33 -15.499 -1.645 -6.406 255 2HG ARG 33 1HG ARG 33 -14.577 -3.139 -6.400 256 1HD ARG 33 2HD ARG 33 -16.984 -4.009 -5.452 257 2HD ARG 33 1HD ARG 33 -17.475 -2.738 -6.557 258 HE ARG 33 HE ARG 33 -16.416 -5.285 -7.246 259 1HH1 ARG 33 1HH2 ARG 33 -16.587 -1.958 -8.258 260 2HH1 ARG 33 2HH2 ARG 33 -16.348 -2.322 -9.935 261 1HH2 ARG 33 2HH1 ARG 33 -16.100 -5.774 -9.451 262 2HH2 ARG 33 1HH1 ARG 33 -16.068 -4.489 -10.612 263 H SER 34 H SER 34 -18.376 -2.197 -4.252 264 HA SER 34 HA SER 34 -19.539 0.156 -5.226 265 1HB SER 34 2HB SER 34 -19.400 0.110 -7.522 266 2HB SER 34 1HB SER 34 -17.820 -0.558 -7.123 267 HG SER 34 HG SER 34 -18.416 -2.244 -8.208 268 H GLY 35 H GLY 35 -20.928 -1.489 -7.436 269 1HA GLY 35 2HA GLY 35 -22.278 -3.584 -7.208 270 2HA GLY 35 1HA GLY 35 -22.679 -3.015 -5.594 271 H GLU 36 H GLU 36 -24.893 -3.231 -6.245 272 HA GLU 36 HA GLU 36 -26.088 -0.805 -6.958 273 1HB GLU 36 2HB GLU 36 -25.225 -2.256 -9.210 274 2HB GLU 36 1HB GLU 36 -26.963 -2.509 -9.141 275 1HG GLU 36 2HG GLU 36 -25.705 0.213 -8.987 276 2HG GLU 36 1HG GLU 36 -26.162 -0.550 -10.508 277 H CYS 37 H CYS 37 -28.537 -1.162 -7.404 278 HA CYS 37 HA CYS 37 -29.428 -3.092 -5.425 279 1HB CYS 37 2HB CYS 37 -30.288 -0.511 -6.286 280 2HB CYS 37 1HB CYS 37 -31.631 -1.631 -6.496 281 H PHE 38 H PHE 38 -30.512 -4.914 -5.803 282 HA PHE 38 HA PHE 38 -31.831 -5.338 -8.361 283 1HB PHE 38 2HB PHE 38 -29.581 -7.118 -7.402 284 2HB PHE 38 1HB PHE 38 -30.644 -7.478 -8.759 285 HD1 PHE 38 HD1 PHE 38 -30.757 -5.571 -10.583 286 HD2 PHE 38 HD2 PHE 38 -27.556 -6.131 -7.836 287 HE1 PHE 38 HE1 PHE 38 -29.253 -4.340 -12.091 288 HE2 PHE 38 HE2 PHE 38 -26.045 -4.900 -9.340 289 HZ PHE 38 HZ PHE 38 -26.893 -4.004 -11.471 290 H TYR 39 H TYR 39 -32.402 -7.971 -8.246 291 HA TYR 39 HA TYR 39 -34.162 -8.113 -5.933 292 1HB TYR 39 2HB TYR 39 -34.044 -9.467 -8.589 293 2HB TYR 39 1HB TYR 39 -34.905 -10.257 -7.275 294 HD1 TYR 39 HD2 TYR 39 -34.663 -6.741 -8.545 295 HD2 TYR 39 HD1 TYR 39 -37.176 -9.984 -7.417 296 HE1 TYR 39 HE2 TYR 39 -36.645 -5.361 -9.010 297 HE2 TYR 39 HE1 TYR 39 -39.164 -8.613 -7.880 298 HH TYR 39 HH TYR 39 -39.852 -6.701 -9.030 299 H ASP 40 H ASP 40 -34.129 -9.697 -4.392 300 HA ASP 40 HA ASP 40 -31.654 -11.258 -4.227 301 1HB ASP 40 2HB ASP 40 -31.877 -11.217 -1.912 302 2HB ASP 40 1HB ASP 40 -32.545 -9.656 -2.378 303 H GLU 41 H GLU 41 -31.911 -13.398 -3.011 304 HA GLU 41 HA GLU 41 -33.462 -15.129 -4.596 305 1HB GLU 41 2HB GLU 41 -31.311 -15.517 -3.088 306 2HB GLU 41 1HB GLU 41 -32.515 -16.022 -1.911 307 1HG GLU 41 2HG GLU 41 -33.413 -17.525 -3.796 308 2HG GLU 41 1HG GLU 41 -31.855 -17.230 -4.566 309 H LYS 42 H LYS 42 -35.150 -13.152 -3.422 310 HA LYS 42 HA LYS 42 -37.077 -14.909 -2.117 311 1HB LYS 42 2HB LYS 42 -35.733 -13.561 -0.402 312 2HB LYS 42 1HB LYS 42 -36.524 -12.141 -1.055 313 1HG LYS 42 2HG LYS 42 -37.652 -12.853 0.939 314 2HG LYS 42 1HG LYS 42 -38.706 -13.081 -0.452 315 1HD LYS 42 2HD LYS 42 -38.673 -14.944 1.265 316 2HD LYS 42 1HD LYS 42 -38.421 -15.429 -0.407 317 1HE LYS 42 2HE LYS 42 -36.906 -16.479 1.342 318 2HE LYS 42 1HE LYS 42 -36.115 -15.771 -0.065 319 1HZ LYS 42 3HZ LYS 42 -35.824 -13.722 1.342 320 2HZ LYS 42 2HZ LYS 42 -36.300 -14.651 2.671 321 3HZ LYS 42 1HZ LYS 42 -34.905 -15.065 1.809 322 H ARG 43 H ARG 43 -36.439 -13.091 -4.634 323 HA ARG 43 HA ARG 43 -37.638 -11.968 -6.202 324 1HB ARG 43 2HB ARG 43 -39.771 -13.473 -4.727 325 2HB ARG 43 1HB ARG 43 -40.240 -12.294 -5.941 326 1HG ARG 43 2HG ARG 43 -39.997 -13.889 -7.489 327 2HG ARG 43 1HG ARG 43 -38.264 -13.867 -7.173 328 1HD ARG 43 2HD ARG 43 -40.279 -15.568 -5.713 329 2HD ARG 43 1HD ARG 43 -39.232 -16.122 -7.017 330 HE ARG 43 HE ARG 43 -38.351 -15.307 -4.332 331 1HH1 ARG 43 1HH2 ARG 43 -37.729 -16.889 -7.382 332 2HH1 ARG 43 2HH2 ARG 43 -36.250 -17.610 -6.845 333 1HH2 ARG 43 2HH1 ARG 43 -36.407 -16.253 -3.630 334 2HH2 ARG 43 1HH1 ARG 43 -35.498 -17.249 -4.719 335 H ASN 44 H ASN 44 -36.692 -10.241 -4.592 336 HA ASN 44 HA ASN 44 -38.834 -8.297 -4.214 337 1HB ASN 44 2HB ASN 44 -36.837 -9.011 -2.051 338 2HB ASN 44 1HB ASN 44 -37.929 -7.630 -1.995 339 1HD2 ASN 44 2HD2 ASN 44 -40.234 -9.561 -0.313 340 2HD2 ASN 44 1HD2 ASN 44 -39.282 -8.123 -0.404 341 H LEU 45 H LEU 45 -36.586 -6.757 -2.672 342 HA LEU 45 HA LEU 45 -34.680 -6.262 -4.781 343 1HB LEU 45 2HB LEU 45 -36.375 -4.928 -5.683 344 2HB LEU 45 1HB LEU 45 -36.850 -4.311 -4.110 345 HG LEU 45 HG LEU 45 -34.720 -3.042 -3.997 346 1HD1 LEU 45 2HD1 LEU 45 -34.316 -4.369 -6.642 347 2HD1 LEU 45 1HD1 LEU 45 -33.621 -2.776 -6.338 348 3HD1 LEU 45 3HD1 LEU 45 -33.178 -4.143 -5.314 349 1HD2 LEU 45 3HD2 LEU 45 -36.957 -2.244 -5.073 350 2HD2 LEU 45 2HD2 LEU 45 -35.497 -1.274 -5.260 351 3HD2 LEU 45 1HD2 LEU 45 -36.038 -2.315 -6.577 352 H GLN 46 H GLN 46 -32.777 -5.695 -3.954 353 HA GLN 46 HA GLN 46 -32.654 -4.213 -1.449 354 1HB GLN 46 2HB GLN 46 -31.794 -7.043 -1.804 355 2HB GLN 46 1HB GLN 46 -30.744 -6.005 -0.853 356 1HG GLN 46 2HG GLN 46 -32.069 -6.890 0.778 357 2HG GLN 46 1HG GLN 46 -32.962 -5.416 0.411 358 1HE2 GLN 46 2HE2 GLN 46 -34.463 -9.068 -0.651 359 2HE2 GLN 46 1HE2 GLN 46 -32.774 -8.856 -0.355 360 H CYS 47 H CYS 47 -30.225 -3.888 -0.867 361 HA CYS 47 HA CYS 47 -28.957 -2.800 -3.260 362 1HB CYS 47 2HB CYS 47 -29.160 -2.003 -0.491 363 2HB CYS 47 1HB CYS 47 -27.472 -2.036 -0.992 364 H ILE 48 H ILE 48 -27.727 -4.302 -4.261 365 HA ILE 48 HA ILE 48 -26.179 -6.224 -2.752 366 HB ILE 48 HB ILE 48 -26.273 -5.709 -5.727 367 1HG1 ILE 48 2HG1 ILE 48 -28.357 -6.579 -4.415 368 2HG1 ILE 48 1HG1 ILE 48 -27.872 -7.390 -5.902 369 1HG2 ILE 48 3HG2 ILE 48 -24.820 -7.708 -4.052 370 2HG2 ILE 48 2HG2 ILE 48 -25.345 -8.139 -5.681 371 3HG2 ILE 48 1HG2 ILE 48 -24.249 -6.780 -5.438 372 1HD1 ILE 48 2HD1 ILE 48 -27.035 -8.324 -3.174 373 2HD1 ILE 48 1HD1 ILE 48 -28.492 -8.887 -3.992 374 3HD1 ILE 48 3HD1 ILE 48 -26.908 -9.188 -4.706 375 H CYS 49 H CYS 49 -24.311 -5.648 -1.847 376 HA CYS 49 HA CYS 49 -22.722 -3.500 -3.040 377 1HB CYS 49 2HB CYS 49 -22.435 -4.910 -0.379 378 2HB CYS 49 1HB CYS 49 -21.451 -3.557 -0.922 379 H ASP 50 H ASP 50 -20.961 -3.882 -4.204 380 HA ASP 50 HA ASP 50 -19.884 -6.598 -4.333 381 1HB ASP 50 2HB ASP 50 -20.466 -5.415 -6.450 382 2HB ASP 50 1HB ASP 50 -19.246 -4.202 -6.075 383 H TYR 51 H TYR 51 -17.817 -7.120 -3.916 384 HA TYR 51 HA TYR 51 -16.110 -5.080 -2.642 385 1HB TYR 51 2HB TYR 51 -16.554 -7.925 -1.785 386 2HB TYR 51 1HB TYR 51 -15.452 -6.794 -1.009 387 HD1 TYR 51 HD2 TYR 51 -16.336 -4.975 0.369 388 HD2 TYR 51 HD1 TYR 51 -18.927 -7.820 -1.440 389 HE1 TYR 51 HE2 TYR 51 -18.159 -4.248 1.854 390 HE2 TYR 51 HE1 TYR 51 -20.756 -7.115 0.042 391 HH TYR 51 HH TYR 51 -20.222 -4.834 2.658 392 H CYS 52 H CYS 52 -16.040 -6.181 -5.394 393 HA CYS 52 HA CYS 52 -13.680 -7.903 -5.344 394 1HB CYS 52 2HB CYS 52 -15.921 -7.625 -7.079 395 2HB CYS 52 1HB CYS 52 -14.475 -7.282 -8.023 396 H GLU 53 H GLU 53 -14.420 -5.391 -7.726 397 HA GLU 53 HA GLU 53 -13.278 -3.442 -8.243 398 1HB GLU 53 2HB GLU 53 -12.477 -3.665 -5.711 399 2HB GLU 53 1HB GLU 53 -10.963 -4.118 -6.478 400 1HG GLU 53 2HG GLU 53 -12.414 -1.604 -7.228 401 2HG GLU 53 1HG GLU 53 -11.312 -1.671 -5.856 402 H TYR 54 HN TYR 54 -10.796 -5.859 -7.412 403 HA TYR 54 HA TYR 54 -8.980 -6.557 -8.645 404 1HB TYR 54 2HB TYR 54 -11.424 -7.213 -10.276 405 2HB TYR 54 1HB TYR 54 -9.821 -7.714 -10.802 406 HD1 TYR 54 HD2 TYR 54 -11.444 -7.660 -7.428 407 HD2 TYR 54 HD1 TYR 54 -9.620 -9.993 -10.484 408 HE1 TYR 54 HE2 TYR 54 -11.594 -9.648 -5.993 409 HE2 TYR 54 HE1 TYR 54 -9.768 -11.988 -9.055 410 HH TYR 54 HH TYR 54 -11.516 -11.960 -6.032 No H/Q in entry = 410 Start of MODEL 8 1 HN PCA 1 HN PCA 1 -14.062 -10.217 3.576 2 HA PCA 1 HA PCA 1 -11.500 -10.302 3.557 3 1HB PCA 1 1HB PCA 1 -10.549 -11.852 4.906 4 2HB PCA 1 2HB PCA 1 -11.374 -13.171 4.042 5 1HG PCA 1 1HG PCA 1 -12.098 -11.903 6.570 6 2HG PCA 1 2HG PCA 1 -12.830 -13.320 5.794 7 H ASP 2 H ASP 2 -14.130 -12.161 2.411 8 HA ASP 2 HA ASP 2 -12.840 -12.420 -0.207 9 1HB ASP 2 2HB ASP 2 -14.013 -14.695 -0.407 10 2HB ASP 2 1HB ASP 2 -12.563 -14.625 0.588 11 H LYS 3 H LYS 3 -15.656 -14.167 -0.150 12 HA LYS 3 HA LYS 3 -17.497 -13.697 -1.539 13 1HB LYS 3 2HB LYS 3 -17.927 -12.153 1.023 14 2HB LYS 3 1HB LYS 3 -19.201 -12.622 -0.096 15 1HG LYS 3 2HG LYS 3 -19.106 -14.832 0.502 16 2HG LYS 3 1HG LYS 3 -17.421 -14.733 1.012 17 1HD LYS 3 2HD LYS 3 -18.066 -13.491 2.997 18 2HD LYS 3 1HD LYS 3 -19.751 -13.491 2.473 19 1HE LYS 3 2HE LYS 3 -19.768 -15.948 2.598 20 2HE LYS 3 1HE LYS 3 -18.102 -15.917 3.172 21 1HZ LYS 3 1HZ LYS 3 -19.969 -14.276 4.663 22 2HZ LYS 3 3HZ LYS 3 -20.219 -15.945 4.783 23 3HZ LYS 3 2HZ LYS 3 -18.726 -15.279 5.219 24 H CYS 4 H CYS 4 -16.573 -12.447 -3.251 25 HA CYS 4 HA CYS 4 -16.214 -9.662 -3.113 26 1HB CYS 4 2HB CYS 4 -16.592 -11.551 -5.425 27 2HB CYS 4 1HB CYS 4 -16.356 -9.821 -5.661 28 H LYS 5 H LYS 5 -18.964 -11.177 -2.595 29 HA LYS 5 HA LYS 5 -20.594 -8.952 -3.588 30 1HB LYS 5 2HB LYS 5 -20.659 -11.493 -4.736 31 2HB LYS 5 1HB LYS 5 -22.041 -11.496 -3.653 32 1HG LYS 5 2HG LYS 5 -22.995 -10.699 -5.564 33 2HG LYS 5 1HG LYS 5 -22.541 -9.185 -4.780 34 1HD LYS 5 2HD LYS 5 -20.552 -9.029 -6.131 35 2HD LYS 5 1HD LYS 5 -20.857 -10.618 -6.832 36 1HE LYS 5 2HE LYS 5 -23.181 -9.397 -7.440 37 2HE LYS 5 1HE LYS 5 -22.099 -8.004 -7.442 38 1HZ LYS 5 1HZ LYS 5 -21.335 -10.442 -8.899 39 2HZ LYS 5 3HZ LYS 5 -22.443 -9.369 -9.593 40 3HZ LYS 5 2HZ LYS 5 -20.888 -8.837 -9.192 41 H LYS 6 H LYS 6 -21.831 -8.115 -1.987 42 HA LYS 6 HA LYS 6 -22.748 -9.868 0.169 43 1HB LYS 6 2HB LYS 6 -21.137 -7.355 0.650 44 2HB LYS 6 1HB LYS 6 -21.985 -8.261 1.897 45 1HG LYS 6 2HG LYS 6 -20.517 -10.243 0.870 46 2HG LYS 6 1HG LYS 6 -19.467 -8.886 0.473 47 1HD LYS 6 2HD LYS 6 -18.775 -9.692 2.596 48 2HD LYS 6 1HD LYS 6 -19.639 -8.182 2.883 49 1HE LYS 6 2HE LYS 6 -21.278 -10.644 2.966 50 2HE LYS 6 1HE LYS 6 -20.098 -10.458 4.263 51 1HZ LYS 6 1HZ LYS 6 -21.218 -8.020 4.167 52 2HZ LYS 6 3HZ LYS 6 -22.538 -9.001 3.769 53 3HZ LYS 6 2HZ LYS 6 -21.700 -9.255 5.217 54 H VAL 7 H VAL 7 -24.863 -9.614 0.101 55 HA VAL 7 HA VAL 7 -26.159 -7.289 -0.853 56 HB VAL 7 HB VAL 7 -28.197 -8.352 -0.501 57 1HG1 VAL 7 1HG1 VAL 7 -26.456 -9.551 -1.992 58 2HG1 VAL 7 3HG1 VAL 7 -26.479 -10.781 -0.727 59 3HG1 VAL 7 2HG1 VAL 7 -27.963 -10.372 -1.587 60 1HG2 VAL 7 3HG2 VAL 7 -26.798 -9.838 1.694 61 2HG2 VAL 7 2HG2 VAL 7 -28.247 -8.835 1.776 62 3HG2 VAL 7 1HG2 VAL 7 -28.315 -10.420 1.007 63 H TYR 8 H TYR 8 -27.298 -5.696 0.158 64 HA TYR 8 HA TYR 8 -26.560 -5.206 2.936 65 1HB TYR 8 2HB TYR 8 -26.519 -3.446 1.008 66 2HB TYR 8 1HB TYR 8 -28.257 -3.369 1.261 67 HD1 TYR 8 HD1 TYR 8 -27.670 -3.925 4.430 68 HD2 TYR 8 HD2 TYR 8 -26.479 -1.021 1.550 69 HE1 TYR 8 HE1 TYR 8 -27.319 -2.296 6.224 70 HE2 TYR 8 HE2 TYR 8 -26.126 0.617 3.347 71 HH TYR 8 HH TYR 8 -27.188 0.070 6.570 72 H GLU 9 H GLU 9 -27.923 -7.112 3.510 73 HA GLU 9 HA GLU 9 -30.698 -7.138 3.164 74 1HB GLU 9 2HB GLU 9 -30.701 -8.706 5.115 75 2HB GLU 9 1HB GLU 9 -29.608 -9.150 3.814 76 1HG GLU 9 2HG GLU 9 -27.869 -7.819 5.263 77 2HG GLU 9 1HG GLU 9 -29.004 -8.192 6.561 78 H ASN 10 H ASN 10 -30.993 -4.803 3.570 79 HA ASN 10 HA ASN 10 -32.462 -4.321 5.878 80 1HB ASN 10 2HB ASN 10 -30.050 -4.318 6.846 81 2HB ASN 10 1HB ASN 10 -29.881 -2.770 6.038 82 1HD2 ASN 10 2HD2 ASN 10 -33.031 -2.119 8.273 83 2HD2 ASN 10 1HD2 ASN 10 -33.015 -2.848 6.706 84 H TYR 11 H TYR 11 -30.110 -2.076 4.482 85 HA TYR 11 HA TYR 11 -30.912 0.183 3.992 86 1HB TYR 11 2HB TYR 11 -29.439 -1.147 2.367 87 2HB TYR 11 1HB TYR 11 -30.899 -1.332 1.402 88 HD1 TYR 11 HD1 TYR 11 -28.472 1.101 2.739 89 HD2 TYR 11 HD2 TYR 11 -31.778 0.491 0.127 90 HE1 TYR 11 HE1 TYR 11 -28.068 3.303 1.721 91 HE2 TYR 11 HE2 TYR 11 -31.380 2.691 -0.896 92 HH TYR 11 HH TYR 11 -29.445 4.267 -1.178 93 HA PRO 12 HA PRO 12 -35.452 0.231 3.797 94 1HB PRO 12 2HB PRO 12 -34.750 2.957 2.772 95 2HB PRO 12 1HB PRO 12 -35.994 2.481 3.937 96 1HG PRO 12 2HG PRO 12 -33.700 3.554 4.758 97 2HG PRO 12 1HG PRO 12 -34.469 2.239 5.664 98 1HD PRO 12 2HD PRO 12 -32.050 2.187 3.943 99 2HD PRO 12 1HD PRO 12 -32.463 1.180 5.345 100 H VAL 13 H VAL 13 -35.806 -1.171 2.070 101 HA VAL 13 HA VAL 13 -35.047 -0.824 -0.574 102 HB VAL 13 HB VAL 13 -37.719 -2.020 0.022 103 1HG1 VAL 13 3HG1 VAL 13 -36.466 -1.921 -2.258 104 2HG1 VAL 13 2HG1 VAL 13 -35.536 -3.262 -1.590 105 3HG1 VAL 13 1HG1 VAL 13 -37.284 -3.404 -1.768 106 1HG2 VAL 13 1HG2 VAL 13 -35.065 -3.120 0.911 107 2HG2 VAL 13 3HG2 VAL 13 -36.509 -2.837 1.882 108 3HG2 VAL 13 2HG2 VAL 13 -36.494 -4.130 0.684 109 H SER 14 H SER 14 -35.288 1.356 -1.142 110 HA SER 14 HA SER 14 -37.649 2.005 -2.511 111 1HB SER 14 2HB SER 14 -38.090 4.122 -0.986 112 2HB SER 14 1HB SER 14 -38.836 2.570 -0.608 113 HG SER 14 HG SER 14 -37.809 2.624 1.211 114 H LYS 15 H LYS 15 -37.313 3.642 -3.933 115 HA LYS 15 HA LYS 15 -36.338 5.456 -4.934 116 1HB LYS 15 2HB LYS 15 -34.134 5.536 -2.897 117 2HB LYS 15 1HB LYS 15 -34.811 6.846 -3.853 118 1HG LYS 15 2HG LYS 15 -36.965 5.960 -2.344 119 2HG LYS 15 1HG LYS 15 -35.606 5.871 -1.226 120 1HD LYS 15 2HD LYS 15 -36.405 8.033 -0.927 121 2HD LYS 15 1HD LYS 15 -35.059 8.255 -2.044 122 1HE LYS 15 2HE LYS 15 -36.946 9.562 -2.789 123 2HE LYS 15 1HE LYS 15 -36.659 8.244 -3.925 124 1HZ LYS 15 3HZ LYS 15 -38.518 7.617 -1.806 125 2HZ LYS 15 2HZ LYS 15 -39.047 8.836 -2.851 126 3HZ LYS 15 1HZ LYS 15 -38.629 7.318 -3.467 127 H CYS 16 H CYS 16 -35.356 2.457 -4.728 128 HA CYS 16 HA CYS 16 -32.676 2.489 -5.665 129 1HB CYS 16 2HB CYS 16 -34.669 0.518 -5.046 130 2HB CYS 16 1HB CYS 16 -33.985 0.143 -6.620 131 H GLN 17 H GLN 17 -34.759 4.176 -7.100 132 HA GLN 17 HA GLN 17 -34.667 3.028 -9.782 133 1HB GLN 17 2HB GLN 17 -36.104 5.393 -8.596 134 2HB GLN 17 1HB GLN 17 -36.070 5.083 -10.326 135 1HG GLN 17 2HG GLN 17 -38.095 4.198 -9.498 136 2HG GLN 17 1HG GLN 17 -37.042 2.830 -9.854 137 1HE2 GLN 17 2HE2 GLN 17 -38.284 3.597 -6.067 138 2HE2 GLN 17 1HE2 GLN 17 -38.573 4.702 -7.363 139 H LEU 18 H LEU 18 -32.360 4.313 -8.218 140 HA LEU 18 HA LEU 18 -31.119 5.545 -10.449 141 1HB LEU 18 2HB LEU 18 -32.485 7.227 -8.507 142 2HB LEU 18 1HB LEU 18 -30.786 7.639 -8.641 143 HG LEU 18 HG LEU 18 -32.551 7.382 -11.043 144 1HD1 LEU 18 3HD1 LEU 18 -32.242 9.656 -9.143 145 2HD1 LEU 18 2HD1 LEU 18 -32.445 9.985 -10.863 146 3HD1 LEU 18 1HD1 LEU 18 -33.680 9.081 -9.988 147 1HD2 LEU 18 3HD2 LEU 18 -29.950 7.395 -11.065 148 2HD2 LEU 18 2HD2 LEU 18 -30.839 8.390 -12.217 149 3HD2 LEU 18 1HD2 LEU 18 -30.143 9.122 -10.772 150 H ALA 19 H ALA 19 -28.900 5.772 -10.201 151 HA ALA 19 HA ALA 19 -27.619 4.042 -8.436 152 1HB ALA 19 3HB ALA 19 -26.825 5.256 -10.650 153 2HB ALA 19 2HB ALA 19 -26.098 6.368 -9.491 154 3HB ALA 19 1HB ALA 19 -25.672 4.657 -9.458 155 H ASN 20 H ASN 20 -25.623 5.024 -7.130 156 HA ASN 20 HA ASN 20 -24.873 6.258 -5.369 157 1HB ASN 20 2HB ASN 20 -26.422 8.096 -6.614 158 2HB ASN 20 1HB ASN 20 -27.289 7.951 -5.090 159 1HD2 ASN 20 2HD2 ASN 20 -24.658 9.303 -3.134 160 2HD2 ASN 20 1HD2 ASN 20 -25.948 8.154 -3.116 161 H GLN 21 H GLN 21 -28.405 6.370 -4.892 162 HA GLN 21 HA GLN 21 -28.369 5.640 -2.211 163 1HB GLN 21 2HB GLN 21 -30.470 5.381 -4.350 164 2HB GLN 21 1HB GLN 21 -30.773 4.833 -2.708 165 1HG GLN 21 2HG GLN 21 -31.590 7.135 -3.253 166 2HG GLN 21 1HG GLN 21 -30.547 7.016 -1.835 167 1HE2 GLN 21 2HE2 GLN 21 -27.880 8.834 -3.258 168 2HE2 GLN 21 1HE2 GLN 21 -28.301 7.621 -2.102 169 H CYS 22 H CYS 22 -26.722 4.024 -2.250 170 HA CYS 22 HA CYS 22 -26.800 1.696 -1.409 171 1HB CYS 22 2HB CYS 22 -28.078 1.273 -4.122 172 2HB CYS 22 1HB CYS 22 -27.351 -0.021 -3.191 173 H ASN 23 H ASN 23 -26.197 2.588 -4.801 174 HA ASN 23 HA ASN 23 -23.843 1.145 -5.172 175 1HB ASN 23 2HB ASN 23 -25.272 2.558 -6.847 176 2HB ASN 23 1HB ASN 23 -24.211 3.879 -6.368 177 1HD2 ASN 23 2HD2 ASN 23 -22.013 2.959 -8.857 178 2HD2 ASN 23 1HD2 ASN 23 -22.990 4.173 -8.110 179 H TYR 24 H TYR 24 -24.253 4.551 -4.222 180 HA TYR 24 HA TYR 24 -21.577 5.131 -3.704 181 1HB TYR 24 2HB TYR 24 -22.768 7.077 -3.639 182 2HB TYR 24 1HB TYR 24 -24.199 6.296 -2.975 183 HD1 TYR 24 HD2 TYR 24 -20.705 6.653 -1.688 184 HD2 TYR 24 HD1 TYR 24 -24.843 7.412 -1.066 185 HE1 TYR 24 HE2 TYR 24 -20.193 7.593 0.526 186 HE2 TYR 24 HE1 TYR 24 -24.346 8.350 1.149 187 HH TYR 24 HH TYR 24 -22.565 9.278 2.400 188 H ASP 25 H ASP 25 -24.127 4.116 -1.422 189 HA ASP 25 HA ASP 25 -22.677 3.977 0.895 190 1HB ASP 25 2HB ASP 25 -24.950 2.343 -0.170 191 2HB ASP 25 1HB ASP 25 -24.180 1.855 1.336 192 H CYS 26 H CYS 26 -22.996 1.393 -1.541 193 HA CYS 26 HA CYS 26 -21.219 -0.390 -0.309 194 1HB CYS 26 2HB CYS 26 -21.702 -0.076 -3.286 195 2HB CYS 26 1HB CYS 26 -21.083 -1.506 -2.472 196 H LYS 27 H LYS 27 -20.752 2.192 -2.665 197 HA LYS 27 HA LYS 27 -18.015 1.878 -3.158 198 1HB LYS 27 2HB LYS 27 -19.798 3.450 -4.249 199 2HB LYS 27 1HB LYS 27 -19.303 4.586 -3.004 200 1HG LYS 27 2HG LYS 27 -17.976 5.191 -4.790 201 2HG LYS 27 1HG LYS 27 -16.908 4.139 -3.861 202 1HD LYS 27 2HD LYS 27 -17.156 2.365 -5.376 203 2HD LYS 27 1HD LYS 27 -18.593 3.075 -6.112 204 1HE LYS 27 2HE LYS 27 -17.381 4.574 -7.360 205 2HE LYS 27 1HE LYS 27 -16.023 4.577 -6.236 206 1HZ LYS 27 2HZ LYS 27 -15.839 2.104 -7.037 207 2HZ LYS 27 1HZ LYS 27 -16.642 2.701 -8.401 208 3HZ LYS 27 3HZ LYS 27 -15.154 3.361 -7.938 209 H LEU 28 H LEU 28 -19.342 2.203 -0.251 210 HA LEU 28 HA LEU 28 -16.925 3.036 1.022 211 1HB LEU 28 2HB LEU 28 -18.139 5.188 0.332 212 2HB LEU 28 1HB LEU 28 -19.338 4.759 1.537 213 HG LEU 28 HG LEU 28 -17.235 4.628 3.123 214 1HD1 LEU 28 1HD1 LEU 28 -15.680 5.021 1.192 215 2HD1 LEU 28 3HD1 LEU 28 -16.307 6.668 1.117 216 3HD1 LEU 28 2HD1 LEU 28 -15.469 6.109 2.564 217 1HD2 LEU 28 3HD2 LEU 28 -18.641 7.116 2.188 218 2HD2 LEU 28 2HD2 LEU 28 -18.998 6.124 3.602 219 3HD2 LEU 28 1HD2 LEU 28 -17.532 7.104 3.559 220 H ASP 29 H ASP 29 -19.214 4.000 3.111 221 HA ASP 29 HA ASP 29 -19.837 3.044 5.112 222 1HB ASP 29 2HB ASP 29 -21.241 1.272 3.104 223 2HB ASP 29 1HB ASP 29 -21.700 1.461 4.794 224 H LYS 30 H LYS 30 -19.873 0.019 3.267 225 HA LYS 30 HA LYS 30 -18.288 -1.229 5.379 226 1HB LYS 30 2HB LYS 30 -19.592 -2.555 3.000 227 2HB LYS 30 1HB LYS 30 -18.979 -3.336 4.450 228 1HG LYS 30 2HG LYS 30 -21.103 -3.268 5.169 229 2HG LYS 30 1HG LYS 30 -20.787 -1.562 5.489 230 1HD LYS 30 2HD LYS 30 -21.655 -0.987 3.274 231 2HD LYS 30 1HD LYS 30 -21.956 -2.696 2.947 232 1HE LYS 30 2HE LYS 30 -24.036 -1.855 3.614 233 2HE LYS 30 1HE LYS 30 -23.405 -2.658 5.051 234 1HZ LYS 30 2HZ LYS 30 -22.486 -0.244 5.498 235 2HZ LYS 30 1HZ LYS 30 -23.809 0.190 4.537 236 3HZ LYS 30 3HZ LYS 30 -24.049 -0.699 5.958 237 H HIS 31 H HIS 31 -17.345 0.547 3.030 238 HA HIS 31 HA HIS 31 -15.469 0.756 1.775 239 1HB HIS 31 2HB HIS 31 -14.510 -1.721 3.215 240 2HB HIS 31 1HB HIS 31 -13.514 -0.538 2.375 241 HD1 HIS 31 HD1 HIS 31 -13.795 -1.434 5.589 242 HD2 HIS 31 HD2 HIS 31 -14.647 2.192 3.747 243 HE1 HIS 31 HE1 HIS 31 -13.660 0.296 7.411 244 HE2 HIS 31 HE2 HIS 31 -14.119 2.490 6.261 245 H ALA 32 H ALA 32 -17.495 -0.370 0.375 246 HA ALA 32 HA ALA 32 -16.478 -2.776 -0.925 247 1HB ALA 32 2HB ALA 32 -19.040 -1.877 -0.399 248 2HB ALA 32 1HB ALA 32 -18.856 -1.587 -2.128 249 3HB ALA 32 3HB ALA 32 -18.613 -3.205 -1.476 250 H ARG 33 H ARG 33 -17.172 -2.540 -3.497 251 HA ARG 33 HA ARG 33 -15.539 -0.282 -4.477 252 1HB ARG 33 2HB ARG 33 -15.865 -3.082 -5.552 253 2HB ARG 33 1HB ARG 33 -15.096 -1.783 -6.454 254 1HG ARG 33 2HG ARG 33 -13.660 -1.591 -4.238 255 2HG ARG 33 1HG ARG 33 -14.125 -3.286 -4.087 256 1HD ARG 33 2HD ARG 33 -12.155 -3.446 -5.272 257 2HD ARG 33 1HD ARG 33 -13.350 -3.433 -6.569 258 HE ARG 33 HE ARG 33 -12.439 -0.806 -5.943 259 1HH1 ARG 33 1HH2 ARG 33 -11.596 -3.724 -7.651 260 2HH1 ARG 33 2HH2 ARG 33 -10.569 -2.915 -8.787 261 1HH2 ARG 33 2HH1 ARG 33 -11.095 0.269 -7.437 262 2HH2 ARG 33 1HH1 ARG 33 -10.285 -0.643 -8.666 263 H SER 34 H SER 34 -18.476 -2.141 -4.882 264 HA SER 34 HA SER 34 -19.763 0.025 -6.218 265 1HB SER 34 2HB SER 34 -20.312 -1.290 -8.306 266 2HB SER 34 1HB SER 34 -18.636 -0.755 -8.184 267 HG SER 34 HG SER 34 -18.585 -2.883 -8.773 268 H GLY 35 H GLY 35 -21.879 -1.251 -7.402 269 1HA GLY 35 2HA GLY 35 -23.072 -3.421 -6.309 270 2HA GLY 35 1HA GLY 35 -23.307 -2.191 -5.076 271 H GLU 36 H GLU 36 -25.555 -3.173 -6.012 272 HA GLU 36 HA GLU 36 -26.921 -0.975 -7.100 273 1HB GLU 36 2HB GLU 36 -25.576 -2.108 -9.108 274 2HB GLU 36 1HB GLU 36 -26.978 -3.166 -9.119 275 1HG GLU 36 2HG GLU 36 -28.450 -1.357 -9.547 276 2HG GLU 36 1HG GLU 36 -27.182 -0.171 -9.236 277 H CYS 37 H CYS 37 -29.164 -1.728 -7.956 278 HA CYS 37 HA CYS 37 -30.256 -3.452 -5.895 279 1HB CYS 37 2HB CYS 37 -31.819 -2.029 -8.028 280 2HB CYS 37 1HB CYS 37 -32.343 -2.478 -6.407 281 H PHE 38 H PHE 38 -31.176 -5.439 -6.219 282 HA PHE 38 HA PHE 38 -31.566 -6.386 -8.964 283 1HB PHE 38 2HB PHE 38 -29.816 -7.760 -6.918 284 2HB PHE 38 1HB PHE 38 -30.372 -8.517 -8.407 285 HD1 PHE 38 HD2 PHE 38 -29.486 -7.845 -10.552 286 HD2 PHE 38 HD1 PHE 38 -28.130 -6.027 -6.951 287 HE1 PHE 38 HE2 PHE 38 -27.557 -6.906 -11.754 288 HE2 PHE 38 HE1 PHE 38 -26.198 -5.087 -8.146 289 HZ PHE 38 HZ PHE 38 -25.909 -5.525 -10.552 290 H TYR 39 H TYR 39 -33.341 -7.586 -9.201 291 HA TYR 39 HA TYR 39 -35.090 -8.013 -6.992 292 1HB TYR 39 2HB TYR 39 -35.205 -8.411 -9.924 293 2HB TYR 39 1HB TYR 39 -36.300 -9.391 -8.951 294 HD1 TYR 39 HD2 TYR 39 -35.361 -5.932 -9.831 295 HD2 TYR 39 HD1 TYR 39 -38.191 -8.430 -7.873 296 HE1 TYR 39 HE2 TYR 39 -36.910 -4.029 -9.655 297 HE2 TYR 39 HE1 TYR 39 -39.747 -6.535 -7.690 298 HH TYR 39 HH TYR 39 -40.194 -4.429 -8.521 299 H ASP 40 H ASP 40 -36.177 -10.155 -6.639 300 HA ASP 40 HA ASP 40 -34.373 -12.437 -6.974 301 1HB ASP 40 2HB ASP 40 -35.041 -13.006 -4.500 302 2HB ASP 40 1HB ASP 40 -33.700 -11.911 -4.824 303 H GLU 41 H GLU 41 -35.565 -14.439 -5.888 304 HA GLU 41 HA GLU 41 -37.823 -14.930 -7.478 305 1HB GLU 41 2HB GLU 41 -37.183 -16.508 -5.002 306 2HB GLU 41 1HB GLU 41 -37.871 -17.074 -6.518 307 1HG GLU 41 2HG GLU 41 -35.559 -16.277 -7.482 308 2HG GLU 41 1HG GLU 41 -35.043 -16.502 -5.811 309 H LYS 42 H LYS 42 -37.548 -13.307 -4.517 310 HA LYS 42 HA LYS 42 -40.317 -13.846 -3.739 311 1HB LYS 42 2HB LYS 42 -38.195 -12.201 -2.351 312 2HB LYS 42 1HB LYS 42 -39.784 -12.585 -1.706 313 1HG LYS 42 2HG LYS 42 -38.660 -14.245 -0.668 314 2HG LYS 42 1HG LYS 42 -38.884 -15.072 -2.211 315 1HD LYS 42 2HD LYS 42 -36.643 -13.925 -2.854 316 2HD LYS 42 1HD LYS 42 -36.442 -13.735 -1.112 317 1HE LYS 42 2HE LYS 42 -37.109 -16.316 -1.162 318 2HE LYS 42 1HE LYS 42 -36.415 -16.191 -2.778 319 1HZ LYS 42 1HZ LYS 42 -34.874 -15.007 -0.613 320 2HZ LYS 42 3HZ LYS 42 -34.974 -16.696 -0.616 321 3HZ LYS 42 2HZ LYS 42 -34.350 -15.884 -1.962 322 H ARG 43 H ARG 43 -38.957 -11.945 -5.926 323 HA ARG 43 HA ARG 43 -39.562 -10.040 -7.006 324 1HB ARG 43 2HB ARG 43 -41.880 -11.146 -6.493 325 2HB ARG 43 1HB ARG 43 -42.047 -9.824 -5.345 326 1HG ARG 43 2HG ARG 43 -41.852 -8.197 -7.087 327 2HG ARG 43 1HG ARG 43 -41.446 -9.441 -8.269 328 1HD ARG 43 2HD ARG 43 -43.664 -9.167 -8.741 329 2HD ARG 43 1HD ARG 43 -43.778 -10.425 -7.513 330 HE ARG 43 HE ARG 43 -43.909 -7.802 -6.391 331 1HH1 ARG 43 1HH2 ARG 43 -45.759 -10.265 -8.016 332 2HH1 ARG 43 2HH2 ARG 43 -47.276 -9.745 -7.361 333 1HH2 ARG 43 2HH1 ARG 43 -45.905 -7.107 -5.520 334 2HH2 ARG 43 1HH1 ARG 43 -47.359 -7.944 -5.948 335 H ASN 44 H ASN 44 -37.740 -9.564 -5.183 336 HA ASN 44 HA ASN 44 -38.476 -6.938 -4.146 337 1HB ASN 44 2HB ASN 44 -37.711 -9.275 -2.486 338 2HB ASN 44 1HB ASN 44 -36.942 -7.746 -2.069 339 1HD2 ASN 44 2HD2 ASN 44 -40.685 -8.490 -0.947 340 2HD2 ASN 44 1HD2 ASN 44 -39.620 -9.666 -1.632 341 H LEU 45 H LEU 45 -36.884 -5.463 -4.361 342 HA LEU 45 HA LEU 45 -34.451 -6.339 -5.686 343 1HB LEU 45 2HB LEU 45 -34.139 -3.781 -5.873 344 2HB LEU 45 1HB LEU 45 -35.315 -4.595 -6.885 345 HG LEU 45 HG LEU 45 -36.059 -3.231 -4.300 346 1HD1 LEU 45 2HD1 LEU 45 -35.048 -1.827 -6.358 347 2HD1 LEU 45 1HD1 LEU 45 -36.727 -1.937 -6.873 348 3HD1 LEU 45 3HD1 LEU 45 -36.328 -1.226 -5.310 349 1HD2 LEU 45 3HD2 LEU 45 -37.483 -4.913 -6.127 350 2HD2 LEU 45 2HD2 LEU 45 -38.067 -4.122 -4.662 351 3HD2 LEU 45 1HD2 LEU 45 -38.165 -3.288 -6.209 352 H GLN 46 H GLN 46 -32.910 -6.987 -4.360 353 HA GLN 46 HA GLN 46 -32.380 -5.497 -1.897 354 1HB GLN 46 2HB GLN 46 -32.251 -8.210 -2.508 355 2HB GLN 46 1HB GLN 46 -30.562 -7.725 -2.468 356 1HG GLN 46 2HG GLN 46 -30.878 -8.294 -0.287 357 2HG GLN 46 1HG GLN 46 -31.278 -6.579 -0.218 358 1HE2 GLN 46 2HE2 GLN 46 -33.895 -8.326 1.630 359 2HE2 GLN 46 1HE2 GLN 46 -32.199 -8.036 1.775 360 H CYS 47 H CYS 47 -30.569 -4.276 -1.581 361 HA CYS 47 HA CYS 47 -29.112 -3.498 -3.947 362 1HB CYS 47 2HB CYS 47 -29.278 -2.481 -1.133 363 2HB CYS 47 1HB CYS 47 -27.973 -1.945 -2.186 364 H ILE 48 H ILE 48 -27.602 -4.854 -4.611 365 HA ILE 48 HA ILE 48 -25.966 -6.321 -2.744 366 HB ILE 48 HB ILE 48 -25.930 -6.332 -5.750 367 1HG1 ILE 48 2HG1 ILE 48 -27.293 -8.085 -3.703 368 2HG1 ILE 48 1HG1 ILE 48 -28.048 -7.141 -4.979 369 1HG2 ILE 48 3HG2 ILE 48 -23.801 -7.062 -4.812 370 2HG2 ILE 48 2HG2 ILE 48 -24.643 -8.208 -3.768 371 3HG2 ILE 48 1HG2 ILE 48 -24.670 -8.423 -5.519 372 1HD1 ILE 48 1HD1 ILE 48 -26.375 -8.806 -6.371 373 2HD1 ILE 48 3HD1 ILE 48 -26.934 -9.821 -5.041 374 3HD1 ILE 48 2HD1 ILE 48 -28.103 -9.050 -6.114 375 H CYS 49 H CYS 49 -24.046 -5.754 -2.018 376 HA CYS 49 HA CYS 49 -22.635 -3.533 -3.325 377 1HB CYS 49 2HB CYS 49 -22.374 -4.774 -0.581 378 2HB CYS 49 1HB CYS 49 -21.236 -3.588 -1.207 379 H ASP 50 H ASP 50 -21.155 -4.100 -4.769 380 HA ASP 50 HA ASP 50 -19.858 -6.712 -4.600 381 1HB ASP 50 2HB ASP 50 -20.895 -5.782 -6.736 382 2HB ASP 50 1HB ASP 50 -19.536 -4.666 -6.791 383 H TYR 51 H TYR 51 -17.566 -6.952 -4.809 384 HA TYR 51 HA TYR 51 -16.033 -4.604 -3.877 385 1HB TYR 51 2HB TYR 51 -15.954 -7.444 -2.907 386 2HB TYR 51 1HB TYR 51 -14.631 -6.325 -2.611 387 HD1 TYR 51 HD2 TYR 51 -18.346 -6.499 -2.232 388 HD2 TYR 51 HD1 TYR 51 -14.644 -5.170 -0.611 389 HE1 TYR 51 HE2 TYR 51 -19.525 -5.673 -0.240 390 HE2 TYR 51 HE1 TYR 51 -15.811 -4.340 1.389 391 HH TYR 51 HH TYR 51 -18.895 -5.209 2.213 392 H CYS 52 H CYS 52 -16.007 -7.592 -5.774 393 HA CYS 52 HA CYS 52 -13.683 -6.549 -7.228 394 1HB CYS 52 2HB CYS 52 -13.325 -9.383 -7.029 395 2HB CYS 52 1HB CYS 52 -12.269 -8.106 -6.435 396 H GLU 53 H GLU 53 -16.747 -7.667 -7.357 397 HA GLU 53 HA GLU 53 -18.014 -8.831 -8.900 398 1HB GLU 53 2HB GLU 53 -17.833 -7.772 -11.158 399 2HB GLU 53 1HB GLU 53 -17.983 -6.621 -9.839 400 1HG GLU 53 2HG GLU 53 -15.314 -7.381 -10.969 401 2HG GLU 53 1HG GLU 53 -16.306 -6.114 -11.686 402 H TYR 54 HN TYR 54 -15.648 -10.262 -8.205 403 HA TYR 54 HA TYR 54 -14.435 -12.071 -8.847 404 1HB TYR 54 2HB TYR 54 -16.620 -12.067 -10.913 405 2HB TYR 54 1HB TYR 54 -15.325 -13.260 -10.973 406 HD1 TYR 54 HD2 TYR 54 -17.282 -11.812 -8.135 407 HD2 TYR 54 HD1 TYR 54 -16.153 -15.303 -10.288 408 HE1 TYR 54 HE2 TYR 54 -18.497 -13.201 -6.507 409 HE2 TYR 54 HE1 TYR 54 -17.366 -16.700 -8.669 410 HH TYR 54 HH TYR 54 -18.166 -16.599 -6.389 No H/Q in entry = 410 Start of MODEL 9 1 HN PCA 1 HN PCA 1 -18.123 -21.048 -0.455 2 HA PCA 1 HA PCA 1 -16.182 -20.532 -2.012 3 1HB PCA 1 1HB PCA 1 -16.761 -20.303 -4.186 4 2HB PCA 1 2HB PCA 1 -17.587 -18.775 -3.805 5 1HG PCA 1 1HG PCA 1 -18.774 -21.339 -4.378 6 2HG PCA 1 2HG PCA 1 -19.604 -19.834 -3.945 7 H ASP 2 H ASP 2 -14.971 -18.694 -1.649 8 HA ASP 2 HA ASP 2 -16.257 -16.634 -0.010 9 1HB ASP 2 2HB ASP 2 -13.297 -16.781 -0.427 10 2HB ASP 2 1HB ASP 2 -14.200 -16.250 0.988 11 H LYS 3 H LYS 3 -17.196 -15.937 -2.211 12 HA LYS 3 HA LYS 3 -15.542 -14.643 -4.103 13 1HB LYS 3 2HB LYS 3 -18.411 -13.899 -3.569 14 2HB LYS 3 1HB LYS 3 -17.533 -13.840 -5.093 15 1HG LYS 3 2HG LYS 3 -17.341 -16.442 -4.670 16 2HG LYS 3 1HG LYS 3 -18.792 -16.147 -3.711 17 1HD LYS 3 2HD LYS 3 -19.718 -16.593 -5.766 18 2HD LYS 3 1HD LYS 3 -19.561 -14.837 -5.854 19 1HE LYS 3 2HE LYS 3 -17.450 -15.088 -7.067 20 2HE LYS 3 1HE LYS 3 -17.605 -16.842 -6.977 21 1HZ LYS 3 2HZ LYS 3 -19.860 -15.415 -8.131 22 2HZ LYS 3 1HZ LYS 3 -18.438 -15.410 -9.047 23 3HZ LYS 3 3HZ LYS 3 -19.152 -16.877 -8.597 24 H CYS 4 H CYS 4 -17.418 -12.178 -3.990 25 HA CYS 4 HA CYS 4 -16.255 -10.756 -1.726 26 1HB CYS 4 2HB CYS 4 -15.542 -10.282 -4.575 27 2HB CYS 4 1HB CYS 4 -15.740 -8.868 -3.545 28 H LYS 5 H LYS 5 -18.894 -11.444 -3.535 29 HA LYS 5 HA LYS 5 -20.119 -8.800 -3.324 30 1HB LYS 5 2HB LYS 5 -20.719 -11.305 -4.795 31 2HB LYS 5 1HB LYS 5 -22.106 -10.346 -4.297 32 1HG LYS 5 2HG LYS 5 -21.286 -8.436 -5.504 33 2HG LYS 5 1HG LYS 5 -19.787 -9.284 -5.896 34 1HD LYS 5 2HD LYS 5 -20.941 -10.849 -7.272 35 2HD LYS 5 1HD LYS 5 -22.512 -10.264 -6.724 36 1HE LYS 5 2HE LYS 5 -21.292 -7.989 -7.738 37 2HE LYS 5 1HE LYS 5 -20.792 -9.259 -8.854 38 1HZ LYS 5 1HZ LYS 5 -23.422 -9.764 -8.513 39 2HZ LYS 5 3HZ LYS 5 -23.383 -8.074 -8.463 40 3HZ LYS 5 2HZ LYS 5 -22.761 -8.894 -9.803 41 H LYS 6 H LYS 6 -21.578 -8.240 -1.805 42 HA LYS 6 HA LYS 6 -22.877 -10.302 -0.212 43 1HB LYS 6 2HB LYS 6 -21.728 -8.133 1.444 44 2HB LYS 6 1HB LYS 6 -21.920 -9.840 1.802 45 1HG LYS 6 2HG LYS 6 -19.819 -8.926 -0.129 46 2HG LYS 6 1HG LYS 6 -19.556 -8.829 1.609 47 1HD LYS 6 2HD LYS 6 -20.599 -11.412 0.630 48 2HD LYS 6 1HD LYS 6 -18.963 -11.008 0.111 49 1HE LYS 6 2HE LYS 6 -19.947 -11.045 2.963 50 2HE LYS 6 1HE LYS 6 -18.975 -12.301 2.195 51 1HZ LYS 6 1HZ LYS 6 -17.472 -10.167 1.718 52 2HZ LYS 6 3HZ LYS 6 -18.184 -9.681 3.174 53 3HZ LYS 6 2HZ LYS 6 -17.303 -11.123 3.102 54 H VAL 7 H VAL 7 -24.925 -9.795 0.159 55 HA VAL 7 HA VAL 7 -26.041 -7.361 -0.753 56 HB VAL 7 HB VAL 7 -28.084 -8.305 -0.393 57 1HG1 VAL 7 2HG1 VAL 7 -26.364 -10.025 -1.362 58 2HG1 VAL 7 1HG1 VAL 7 -26.702 -10.889 0.139 59 3HG1 VAL 7 3HG1 VAL 7 -28.013 -10.520 -0.981 60 1HG2 VAL 7 2HG2 VAL 7 -26.989 -9.444 2.174 61 2HG2 VAL 7 1HG2 VAL 7 -28.192 -8.169 1.980 62 3HG2 VAL 7 3HG2 VAL 7 -28.592 -9.832 1.551 63 H TYR 8 H TYR 8 -26.918 -5.622 0.399 64 HA TYR 8 HA TYR 8 -25.541 -4.941 2.795 65 1HB TYR 8 2HB TYR 8 -26.442 -3.359 0.972 66 2HB TYR 8 1HB TYR 8 -28.002 -3.541 1.760 67 HD1 TYR 8 HD1 TYR 8 -26.167 -3.717 4.557 68 HD2 TYR 8 HD2 TYR 8 -26.890 -0.902 1.439 69 HE1 TYR 8 HE1 TYR 8 -25.588 -1.891 6.078 70 HE2 TYR 8 HE2 TYR 8 -26.309 0.933 2.965 71 HH TYR 8 HH TYR 8 -26.127 1.428 5.262 72 H GLU 9 H GLU 9 -26.064 -6.507 4.339 73 HA GLU 9 HA GLU 9 -28.674 -7.341 4.945 74 1HB GLU 9 2HB GLU 9 -27.440 -7.744 7.302 75 2HB GLU 9 1HB GLU 9 -27.216 -8.794 5.910 76 1HG GLU 9 2HG GLU 9 -25.121 -7.968 5.446 77 2HG GLU 9 1HG GLU 9 -25.420 -6.446 6.283 78 H ASN 10 H ASN 10 -29.664 -5.243 4.782 79 HA ASN 10 HA ASN 10 -31.135 -4.121 6.389 80 1HB ASN 10 2HB ASN 10 -30.197 -2.725 8.131 81 2HB ASN 10 1HB ASN 10 -29.627 -4.368 8.345 82 1HD2 ASN 10 2HD2 ASN 10 -26.364 -3.263 8.586 83 2HD2 ASN 10 1HD2 ASN 10 -27.631 -4.317 9.108 84 H TYR 11 H TYR 11 -31.995 -2.573 5.225 85 HA TYR 11 HA TYR 11 -30.801 -0.138 4.586 86 1HB TYR 11 2HB TYR 11 -29.391 -1.403 3.037 87 2HB TYR 11 1HB TYR 11 -30.815 -2.120 2.295 88 HD1 TYR 11 HD1 TYR 11 -32.327 -0.702 0.916 89 HD2 TYR 11 HD2 TYR 11 -28.638 0.765 2.442 90 HE1 TYR 11 HE1 TYR 11 -32.406 1.156 -0.694 91 HE2 TYR 11 HE2 TYR 11 -28.706 2.626 0.838 92 HH TYR 11 HH TYR 11 -29.839 3.618 -0.787 93 HA PRO 12 HA PRO 12 -35.156 0.549 3.957 94 1HB PRO 12 2HB PRO 12 -35.076 3.002 2.761 95 2HB PRO 12 1HB PRO 12 -34.816 2.755 4.492 96 1HG PRO 12 2HG PRO 12 -32.798 3.102 2.307 97 2HG PRO 12 1HG PRO 12 -32.835 3.835 3.922 98 1HD PRO 12 2HD PRO 12 -31.275 1.718 3.354 99 2HD PRO 12 1HD PRO 12 -32.035 1.921 4.946 100 H VAL 13 H VAL 13 -34.930 -1.280 2.314 101 HA VAL 13 HA VAL 13 -34.546 -0.873 -0.410 102 HB VAL 13 HB VAL 13 -36.631 -2.779 0.601 103 1HG1 VAL 13 2HG1 VAL 13 -34.588 -2.925 -1.610 104 2HG1 VAL 13 1HG1 VAL 13 -35.736 -4.199 -1.196 105 3HG1 VAL 13 3HG1 VAL 13 -36.319 -2.646 -1.798 106 1HG2 VAL 13 1HG2 VAL 13 -33.685 -2.851 1.073 107 2HG2 VAL 13 3HG2 VAL 13 -35.008 -3.317 2.144 108 3HG2 VAL 13 2HG2 VAL 13 -34.555 -4.360 0.796 109 H SER 14 H SER 14 -35.484 0.868 -1.337 110 HA SER 14 HA SER 14 -38.168 0.733 -2.152 111 1HB SER 14 2HB SER 14 -38.982 2.812 -0.959 112 2HB SER 14 1HB SER 14 -38.803 1.384 0.061 113 HG SER 14 HG SER 14 -36.651 2.280 0.559 114 H LYS 15 H LYS 15 -36.038 3.438 -1.206 115 HA LYS 15 HA LYS 15 -36.505 4.896 -3.579 116 1HB LYS 15 2HB LYS 15 -34.618 5.101 -1.285 117 2HB LYS 15 1HB LYS 15 -34.216 5.998 -2.742 118 1HG LYS 15 2HG LYS 15 -36.940 6.226 -1.531 119 2HG LYS 15 1HG LYS 15 -35.584 7.149 -0.881 120 1HD LYS 15 2HD LYS 15 -35.276 8.322 -2.893 121 2HD LYS 15 1HD LYS 15 -36.258 7.176 -3.807 122 1HE LYS 15 2HE LYS 15 -37.429 8.813 -1.582 123 2HE LYS 15 1HE LYS 15 -37.285 9.456 -3.217 124 1HZ LYS 15 1HZ LYS 15 -38.536 6.831 -2.853 125 2HZ LYS 15 3HZ LYS 15 -39.431 8.210 -2.450 126 3HZ LYS 15 2HZ LYS 15 -38.839 8.015 -4.022 127 H CYS 16 H CYS 16 -34.860 2.070 -3.188 128 HA CYS 16 HA CYS 16 -32.561 2.480 -4.788 129 1HB CYS 16 2HB CYS 16 -33.727 0.331 -3.338 130 2HB CYS 16 1HB CYS 16 -33.447 -0.246 -4.975 131 H GLN 17 H GLN 17 -33.345 3.677 -6.565 132 HA GLN 17 HA GLN 17 -34.356 1.983 -8.712 133 1HB GLN 17 2HB GLN 17 -35.671 4.569 -7.870 134 2HB GLN 17 1HB GLN 17 -35.974 3.769 -9.406 135 1HG GLN 17 2HG GLN 17 -36.551 1.719 -7.915 136 2HG GLN 17 1HG GLN 17 -36.747 2.932 -6.652 137 1HE2 GLN 17 2HE2 GLN 17 -39.960 3.666 -7.635 138 2HE2 GLN 17 1HE2 GLN 17 -38.765 3.527 -6.396 139 H LEU 18 H LEU 18 -31.831 3.453 -7.939 140 HA LEU 18 HA LEU 18 -31.161 4.338 -10.561 141 1HB LEU 18 2HB LEU 18 -30.423 6.588 -8.932 142 2HB LEU 18 1HB LEU 18 -31.374 6.564 -10.400 143 HG LEU 18 HG LEU 18 -33.415 6.310 -9.136 144 1HD1 LEU 18 3HD1 LEU 18 -31.657 5.393 -7.049 145 2HD1 LEU 18 2HD1 LEU 18 -32.651 6.722 -6.458 146 3HD1 LEU 18 1HD1 LEU 18 -33.414 5.301 -7.161 147 1HD2 LEU 18 1HD2 LEU 18 -32.369 8.559 -9.472 148 2HD2 LEU 18 3HD2 LEU 18 -33.486 8.454 -8.111 149 3HD2 LEU 18 2HD2 LEU 18 -31.746 8.444 -7.826 150 H ALA 19 H ALA 19 -29.088 3.921 -10.915 151 HA ALA 19 HA ALA 19 -27.449 2.654 -9.057 152 1HB ALA 19 3HB ALA 19 -27.222 2.552 -11.541 153 2HB ALA 19 2HB ALA 19 -26.501 4.160 -11.488 154 3HB ALA 19 1HB ALA 19 -25.701 2.810 -10.685 155 H ASN 20 H ASN 20 -27.768 4.181 -7.236 156 HA ASN 20 HA ASN 20 -25.446 5.827 -6.923 157 1HB ASN 20 2HB ASN 20 -27.009 7.346 -8.145 158 2HB ASN 20 1HB ASN 20 -28.142 7.194 -6.806 159 1HD2 ASN 20 2HD2 ASN 20 -24.591 9.095 -6.058 160 2HD2 ASN 20 1HD2 ASN 20 -24.640 7.700 -7.075 161 H GLN 21 H GLN 21 -27.959 7.058 -5.080 162 HA GLN 21 HA GLN 21 -27.523 6.952 -2.640 163 1HB GLN 21 2HB GLN 21 -29.870 5.549 -3.854 164 2HB GLN 21 1HB GLN 21 -29.679 5.547 -2.106 165 1HG GLN 21 2HG GLN 21 -31.097 7.388 -3.272 166 2HG GLN 21 1HG GLN 21 -30.042 7.800 -1.921 167 1HE2 GLN 21 2HE2 GLN 21 -27.820 9.732 -3.812 168 2HE2 GLN 21 1HE2 GLN 21 -28.060 8.839 -2.352 169 H CYS 22 H CYS 22 -28.723 3.726 -3.473 170 HA CYS 22 HA CYS 22 -27.442 2.418 -1.359 171 1HB CYS 22 2HB CYS 22 -29.302 1.350 -2.405 172 2HB CYS 22 1HB CYS 22 -28.528 1.403 -3.985 173 H ASN 23 H ASN 23 -26.574 2.466 -4.815 174 HA ASN 23 HA ASN 23 -24.238 0.995 -4.698 175 1HB ASN 23 2HB ASN 23 -25.340 1.797 -6.791 176 2HB ASN 23 1HB ASN 23 -24.730 3.414 -6.453 177 1HD2 ASN 23 2HD2 ASN 23 -22.056 2.599 -8.511 178 2HD2 ASN 23 1HD2 ASN 23 -23.481 3.545 -8.273 179 H TYR 24 H TYR 24 -24.377 4.556 -4.798 180 HA TYR 24 HA TYR 24 -21.746 5.058 -4.131 181 1HB TYR 24 2HB TYR 24 -22.694 7.050 -4.678 182 2HB TYR 24 1HB TYR 24 -24.273 6.572 -4.069 183 HD1 TYR 24 HD2 TYR 24 -20.960 7.008 -2.388 184 HD2 TYR 24 HD1 TYR 24 -25.038 8.200 -2.622 185 HE1 TYR 24 HE2 TYR 24 -20.642 8.455 -0.426 186 HE2 TYR 24 HE1 TYR 24 -24.731 9.652 -0.661 187 HH TYR 24 HH TYR 24 -22.536 10.872 0.403 188 H ASP 25 H ASP 25 -24.517 4.504 -1.999 189 HA ASP 25 HA ASP 25 -23.334 5.093 0.437 190 1HB ASP 25 2HB ASP 25 -25.556 3.283 -0.406 191 2HB ASP 25 1HB ASP 25 -24.961 3.161 1.246 192 H CYS 26 H CYS 26 -23.812 1.714 -0.658 193 HA CYS 26 HA CYS 26 -22.019 0.611 1.136 194 1HB CYS 26 2HB CYS 26 -23.393 -0.277 -1.260 195 2HB CYS 26 1HB CYS 26 -21.795 -1.007 -1.139 196 H LYS 27 H LYS 27 -21.408 2.205 -1.913 197 HA LYS 27 HA LYS 27 -18.763 1.393 -2.337 198 1HB LYS 27 2HB LYS 27 -20.310 2.733 -3.888 199 2HB LYS 27 1HB LYS 27 -19.767 4.150 -3.000 200 1HG LYS 27 2HG LYS 27 -17.468 3.701 -3.638 201 2HG LYS 27 1HG LYS 27 -17.971 2.232 -4.472 202 1HD LYS 27 2HD LYS 27 -17.718 3.893 -6.144 203 2HD LYS 27 1HD LYS 27 -19.452 3.683 -5.907 204 1HE LYS 27 2HE LYS 27 -19.708 5.742 -4.942 205 2HE LYS 27 1HE LYS 27 -18.065 5.772 -4.305 206 1HZ LYS 27 3HZ LYS 27 -17.924 5.748 -7.100 207 2HZ LYS 27 2HZ LYS 27 -19.029 6.948 -6.649 208 3HZ LYS 27 1HZ LYS 27 -17.452 6.978 -6.037 209 H LEU 28 H LEU 28 -19.894 2.876 0.362 210 HA LEU 28 HA LEU 28 -17.262 3.605 1.233 211 1HB LEU 28 2HB LEU 28 -17.883 5.584 -0.097 212 2HB LEU 28 1HB LEU 28 -19.300 5.808 0.912 213 HG LEU 28 HG LEU 28 -16.681 5.728 2.315 214 1HD1 LEU 28 3HD1 LEU 28 -17.477 7.900 0.410 215 2HD1 LEU 28 2HD1 LEU 28 -16.491 8.241 1.831 216 3HD1 LEU 28 1HD1 LEU 28 -15.912 7.112 0.607 217 1HD2 LEU 28 2HD2 LEU 28 -19.160 7.426 2.558 218 2HD2 LEU 28 1HD2 LEU 28 -18.718 6.058 3.577 219 3HD2 LEU 28 3HD2 LEU 28 -17.751 7.531 3.614 220 H ASP 29 H ASP 29 -20.683 3.360 1.778 221 HA ASP 29 HA ASP 29 -20.684 3.986 4.549 222 1HB ASP 29 2HB ASP 29 -22.605 2.512 2.754 223 2HB ASP 29 1HB ASP 29 -22.891 2.662 4.485 224 H LYS 30 H LYS 30 -20.781 0.882 2.804 225 HA LYS 30 HA LYS 30 -20.109 -0.524 5.285 226 1HB LYS 30 2HB LYS 30 -21.086 -1.447 2.587 227 2HB LYS 30 1HB LYS 30 -20.490 -2.573 3.799 228 1HG LYS 30 2HG LYS 30 -22.562 -0.658 4.685 229 2HG LYS 30 1HG LYS 30 -23.074 -1.914 3.555 230 1HD LYS 30 2HD LYS 30 -21.439 -2.679 5.931 231 2HD LYS 30 1HD LYS 30 -23.153 -2.320 6.150 232 1HE LYS 30 2HE LYS 30 -22.408 -4.761 5.666 233 2HE LYS 30 1HE LYS 30 -23.830 -4.108 4.853 234 1HZ LYS 30 3HZ LYS 30 -22.316 -3.548 2.962 235 2HZ LYS 30 2HZ LYS 30 -21.106 -4.445 3.733 236 3HZ LYS 30 1HZ LYS 30 -22.530 -5.205 3.230 237 H HIS 31 H HIS 31 -18.367 1.112 3.260 238 HA HIS 31 HA HIS 31 -16.202 1.098 2.575 239 1HB HIS 31 2HB HIS 31 -15.945 -1.332 4.356 240 2HB HIS 31 1HB HIS 31 -14.622 -0.344 3.747 241 HD1 HIS 31 HD1 HIS 31 -15.736 -0.892 6.815 242 HD2 HIS 31 HD2 HIS 31 -15.852 2.602 4.568 243 HE1 HIS 31 HE1 HIS 31 -15.912 0.978 8.489 244 HE2 HIS 31 HE2 HIS 31 -15.980 3.083 7.106 245 H ALA 32 H ALA 32 -18.198 -0.308 1.040 246 HA ALA 32 HA ALA 32 -16.872 -2.668 -0.007 247 1HB ALA 32 2HB ALA 32 -19.346 -2.557 0.259 248 2HB ALA 32 1HB ALA 32 -19.383 -1.336 -1.012 249 3HB ALA 32 3HB ALA 32 -18.821 -2.968 -1.374 250 H ARG 33 H ARG 33 -17.078 -2.732 -2.592 251 HA ARG 33 HA ARG 33 -15.395 -0.521 -3.517 252 1HB ARG 33 2HB ARG 33 -15.470 -3.352 -3.985 253 2HB ARG 33 1HB ARG 33 -15.638 -2.525 -5.524 254 1HG ARG 33 2HG ARG 33 -13.476 -1.792 -3.582 255 2HG ARG 33 1HG ARG 33 -13.289 -3.126 -4.721 256 1HD ARG 33 2HD ARG 33 -14.246 -0.576 -5.869 257 2HD ARG 33 1HD ARG 33 -12.589 -0.576 -5.269 258 HE ARG 33 HE ARG 33 -12.824 -2.847 -6.801 259 1HH1 ARG 33 1HH2 ARG 33 -13.221 0.577 -7.294 260 2HH1 ARG 33 2HH2 ARG 33 -12.724 0.529 -8.951 261 1HH2 ARG 33 2HH1 ARG 33 -12.162 -2.923 -8.982 262 2HH2 ARG 33 1HH1 ARG 33 -12.121 -1.463 -9.912 263 H SER 34 H SER 34 -18.485 -2.015 -4.012 264 HA SER 34 HA SER 34 -19.636 0.212 -5.241 265 1HB SER 34 2HB SER 34 -19.996 -0.783 -7.543 266 2HB SER 34 1HB SER 34 -18.348 -0.247 -7.211 267 HG SER 34 HG SER 34 -18.315 -2.297 -8.149 268 H GLY 35 H GLY 35 -21.681 -0.861 -6.712 269 1HA GLY 35 2HA GLY 35 -22.799 -3.251 -5.917 270 2HA GLY 35 1HA GLY 35 -23.234 -2.103 -4.664 271 H GLU 36 H GLU 36 -25.307 -3.107 -5.709 272 HA GLU 36 HA GLU 36 -26.708 -0.992 -6.915 273 1HB GLU 36 2HB GLU 36 -25.331 -1.859 -8.880 274 2HB GLU 36 1HB GLU 36 -26.304 -3.316 -8.790 275 1HG GLU 36 2HG GLU 36 -27.858 -2.352 -10.063 276 2HG GLU 36 1HG GLU 36 -28.099 -1.125 -8.822 277 H CYS 37 H CYS 37 -28.966 -1.470 -7.145 278 HA CYS 37 HA CYS 37 -29.781 -3.662 -5.428 279 1HB CYS 37 2HB CYS 37 -30.933 -1.098 -6.297 280 2HB CYS 37 1HB CYS 37 -32.108 -2.397 -6.126 281 H PHE 38 H PHE 38 -30.928 -5.433 -6.025 282 HA PHE 38 HA PHE 38 -32.024 -5.601 -8.721 283 1HB PHE 38 2HB PHE 38 -29.888 -7.474 -7.695 284 2HB PHE 38 1HB PHE 38 -30.877 -7.794 -9.114 285 HD1 PHE 38 HD1 PHE 38 -30.914 -5.678 -10.805 286 HD2 PHE 38 HD2 PHE 38 -27.787 -6.675 -8.095 287 HE1 PHE 38 HE1 PHE 38 -29.311 -4.451 -12.209 288 HE2 PHE 38 HE2 PHE 38 -26.178 -5.454 -9.497 289 HZ PHE 38 HZ PHE 38 -26.940 -4.335 -11.555 290 H TYR 39 H TYR 39 -33.512 -7.304 -9.027 291 HA TYR 39 HA TYR 39 -35.176 -7.867 -6.868 292 1HB TYR 39 2HB TYR 39 -34.888 -9.050 -9.603 293 2HB TYR 39 1HB TYR 39 -36.013 -9.756 -8.459 294 HD1 TYR 39 HD2 TYR 39 -35.963 -6.226 -7.923 295 HD2 TYR 39 HD1 TYR 39 -37.456 -9.221 -10.557 296 HE1 TYR 39 HE2 TYR 39 -37.691 -4.679 -8.699 297 HE2 TYR 39 HE1 TYR 39 -39.190 -7.669 -11.334 298 HH TYR 39 HH TYR 39 -39.428 -5.076 -11.443 299 H ASP 40 H ASP 40 -35.841 -10.431 -6.709 300 HA ASP 40 HA ASP 40 -33.707 -12.266 -6.494 301 1HB ASP 40 2HB ASP 40 -33.434 -12.414 -4.102 302 2HB ASP 40 1HB ASP 40 -33.139 -10.745 -4.582 303 H GLU 41 H GLU 41 -35.234 -13.432 -7.612 304 HA GLU 41 HA GLU 41 -37.184 -14.595 -7.944 305 1HB GLU 41 2HB GLU 41 -37.225 -16.488 -6.115 306 2HB GLU 41 1HB GLU 41 -35.925 -16.397 -7.292 307 1HG GLU 41 2HG GLU 41 -34.587 -15.138 -5.600 308 2HG GLU 41 1HG GLU 41 -35.863 -15.479 -4.431 309 H LYS 42 H LYS 42 -37.661 -12.177 -6.319 310 HA LYS 42 HA LYS 42 -40.243 -12.977 -5.252 311 1HB LYS 42 2HB LYS 42 -38.014 -11.853 -3.598 312 2HB LYS 42 1HB LYS 42 -39.657 -11.370 -3.225 313 1HG LYS 42 2HG LYS 42 -39.743 -14.172 -3.457 314 2HG LYS 42 1HG LYS 42 -38.272 -13.814 -2.558 315 1HD LYS 42 2HD LYS 42 -39.973 -14.062 -0.944 316 2HD LYS 42 1HD LYS 42 -39.698 -12.326 -1.082 317 1HE LYS 42 2HE LYS 42 -41.657 -12.099 -2.497 318 2HE LYS 42 1HE LYS 42 -41.898 -13.845 -2.482 319 1HZ LYS 42 2HZ LYS 42 -41.902 -13.364 0.115 320 2HZ LYS 42 1HZ LYS 42 -42.482 -11.869 -0.424 321 3HZ LYS 42 3HZ LYS 42 -43.307 -13.289 -0.825 322 H ARG 43 H ARG 43 -38.592 -11.094 -7.228 323 HA ARG 43 HA ARG 43 -39.054 -9.189 -8.377 324 1HB ARG 43 2HB ARG 43 -41.393 -10.081 -8.248 325 2HB ARG 43 1HB ARG 43 -41.636 -9.059 -6.837 326 1HG ARG 43 2HG ARG 43 -40.561 -7.412 -8.880 327 2HG ARG 43 1HG ARG 43 -41.848 -8.371 -9.609 328 1HD ARG 43 2HD ARG 43 -42.785 -6.337 -8.777 329 2HD ARG 43 1HD ARG 43 -43.340 -7.665 -7.760 330 HE ARG 43 HE ARG 43 -41.071 -6.637 -6.555 331 1HH1 ARG 43 1HH2 ARG 43 -44.254 -5.511 -7.414 332 2HH1 ARG 43 2HH2 ARG 43 -44.346 -4.377 -6.108 333 1HH2 ARG 43 2HH1 ARG 43 -41.183 -5.146 -4.834 334 2HH2 ARG 43 1HH1 ARG 43 -42.601 -4.170 -4.641 335 H ASN 44 H ASN 44 -38.557 -9.321 -5.131 336 HA ASN 44 HA ASN 44 -38.694 -6.424 -4.720 337 1HB ASN 44 2HB ASN 44 -38.592 -8.796 -2.939 338 2HB ASN 44 1HB ASN 44 -37.727 -7.374 -2.363 339 1HD2 ASN 44 2HD2 ASN 44 -41.759 -7.526 -2.330 340 2HD2 ASN 44 1HD2 ASN 44 -40.792 -8.799 -2.983 341 H LEU 45 H LEU 45 -36.928 -5.149 -4.428 342 HA LEU 45 HA LEU 45 -34.486 -6.107 -5.576 343 1HB LEU 45 2HB LEU 45 -35.131 -3.432 -4.341 344 2HB LEU 45 1HB LEU 45 -33.702 -3.800 -5.287 345 HG LEU 45 HG LEU 45 -35.142 -4.243 -7.250 346 1HD1 LEU 45 3HD1 LEU 45 -37.276 -3.599 -5.264 347 2HD1 LEU 45 2HD1 LEU 45 -37.514 -3.203 -6.965 348 3HD1 LEU 45 1HD1 LEU 45 -37.223 -4.874 -6.481 349 1HD2 LEU 45 3HD2 LEU 45 -35.380 -1.549 -5.922 350 2HD2 LEU 45 2HD2 LEU 45 -34.158 -2.077 -7.080 351 3HD2 LEU 45 1HD2 LEU 45 -35.830 -1.864 -7.598 352 H GLN 46 H GLN 46 -32.420 -5.915 -4.699 353 HA GLN 46 HA GLN 46 -32.137 -5.763 -1.801 354 1HB GLN 46 2HB GLN 46 -31.620 -8.176 -3.492 355 2HB GLN 46 1HB GLN 46 -30.518 -7.847 -2.163 356 1HG GLN 46 2HG GLN 46 -33.310 -7.661 -1.354 357 2HG GLN 46 1HG GLN 46 -32.902 -9.245 -2.007 358 1HE2 GLN 46 2HE2 GLN 46 -31.079 -7.942 1.421 359 2HE2 GLN 46 1HE2 GLN 46 -31.669 -6.809 0.258 360 H CYS 47 H CYS 47 -30.308 -4.719 -1.244 361 HA CYS 47 HA CYS 47 -28.729 -3.534 -3.308 362 1HB CYS 47 2HB CYS 47 -28.930 -3.310 -0.354 363 2HB CYS 47 1HB CYS 47 -27.408 -2.807 -1.084 364 H ILE 48 H ILE 48 -27.441 -4.958 -4.393 365 HA ILE 48 HA ILE 48 -25.763 -6.828 -2.931 366 HB ILE 48 HB ILE 48 -26.150 -6.306 -5.873 367 1HG1 ILE 48 2HG1 ILE 48 -26.888 -8.685 -5.836 368 2HG1 ILE 48 1HG1 ILE 48 -26.664 -8.696 -4.090 369 1HG2 ILE 48 2HG2 ILE 48 -24.020 -7.866 -4.475 370 2HG2 ILE 48 1HG2 ILE 48 -24.624 -8.410 -6.041 371 3HG2 ILE 48 3HG2 ILE 48 -23.896 -6.811 -5.883 372 1HD1 ILE 48 3HD1 ILE 48 -28.510 -6.779 -5.469 373 2HD1 ILE 48 2HD1 ILE 48 -29.019 -8.378 -4.927 374 3HD1 ILE 48 1HD1 ILE 48 -28.439 -7.194 -3.756 375 H CYS 49 H CYS 49 -24.028 -5.951 -1.937 376 HA CYS 49 HA CYS 49 -22.577 -3.773 -3.266 377 1HB CYS 49 2HB CYS 49 -22.106 -4.835 -0.483 378 2HB CYS 49 1HB CYS 49 -21.603 -3.282 -1.149 379 H ASP 50 H ASP 50 -20.852 -4.208 -4.435 380 HA ASP 50 HA ASP 50 -19.485 -6.769 -4.105 381 1HB ASP 50 2HB ASP 50 -20.263 -5.616 -6.367 382 2HB ASP 50 1HB ASP 50 -18.701 -4.816 -6.224 383 H TYR 51 H TYR 51 -17.558 -6.990 -3.223 384 HA TYR 51 HA TYR 51 -16.192 -4.607 -2.231 385 1HB TYR 51 2HB TYR 51 -16.098 -7.525 -1.557 386 2HB TYR 51 1HB TYR 51 -14.828 -6.438 -1.007 387 HD1 TYR 51 HD2 TYR 51 -18.461 -7.125 -0.822 388 HD2 TYR 51 HD1 TYR 51 -15.177 -5.009 0.859 389 HE1 TYR 51 HE2 TYR 51 -19.860 -6.499 1.094 390 HE2 TYR 51 HE1 TYR 51 -16.567 -4.374 2.785 391 HH TYR 51 HH TYR 51 -19.898 -5.544 3.113 392 H CYS 52 H CYS 52 -15.727 -7.326 -4.400 393 HA CYS 52 HA CYS 52 -13.364 -6.005 -5.484 394 1HB CYS 52 2HB CYS 52 -12.977 -8.917 -5.297 395 2HB CYS 52 1HB CYS 52 -11.855 -7.608 -4.959 396 H GLU 53 H GLU 53 -14.481 -9.302 -6.073 397 HA GLU 53 HA GLU 53 -16.296 -9.367 -7.928 398 1HB GLU 53 2HB GLU 53 -15.636 -7.609 -9.310 399 2HB GLU 53 1HB GLU 53 -13.928 -8.016 -9.183 400 1HG GLU 53 2HG GLU 53 -14.186 -9.867 -10.655 401 2HG GLU 53 1HG GLU 53 -15.942 -9.716 -10.624 402 H TYR 54 HN TYR 54 -13.235 -10.371 -6.913 403 HA TYR 54 HA TYR 54 -12.252 -12.283 -8.473 404 1HB TYR 54 2HB TYR 54 -12.813 -12.360 -5.526 405 2HB TYR 54 1HB TYR 54 -12.085 -13.752 -6.320 406 HD1 TYR 54 HD2 TYR 54 -11.405 -10.254 -7.289 407 HD2 TYR 54 HD1 TYR 54 -9.989 -13.666 -5.176 408 HE1 TYR 54 HE2 TYR 54 -9.194 -9.202 -7.082 409 HE2 TYR 54 HE1 TYR 54 -7.774 -12.621 -4.963 410 HH TYR 54 HH TYR 54 -7.149 -9.558 -5.238 No H/Q in entry = 410 Start of MODEL 10 1 HN PCA 1 HN PCA 1 -12.584 -12.606 -1.546 2 HA PCA 1 HA PCA 1 -10.989 -14.515 -2.068 3 1HB PCA 1 1HB PCA 1 -9.695 -15.162 -0.328 4 2HB PCA 1 2HB PCA 1 -11.126 -15.825 0.494 5 1HG PCA 1 1HG PCA 1 -9.699 -13.387 1.091 6 2HG PCA 1 2HG PCA 1 -11.151 -14.019 1.891 7 H ASP 2 H ASP 2 -13.457 -14.934 0.479 8 HA ASP 2 HA ASP 2 -14.546 -17.255 -0.825 9 1HB ASP 2 2HB ASP 2 -16.378 -16.616 1.108 10 2HB ASP 2 1HB ASP 2 -14.936 -17.589 1.383 11 H LYS 3 H LYS 3 -15.979 -14.104 0.075 12 HA LYS 3 HA LYS 3 -17.691 -14.308 -2.325 13 1HB LYS 3 2HB LYS 3 -18.546 -12.898 0.192 14 2HB LYS 3 1HB LYS 3 -19.538 -13.445 -1.154 15 1HG LYS 3 2HG LYS 3 -18.595 -15.810 -0.360 16 2HG LYS 3 1HG LYS 3 -18.498 -14.949 1.176 17 1HD LYS 3 2HD LYS 3 -20.976 -15.132 -0.539 18 2HD LYS 3 1HD LYS 3 -20.639 -16.161 0.854 19 1HE LYS 3 2HE LYS 3 -20.850 -13.154 0.930 20 2HE LYS 3 1HE LYS 3 -22.136 -14.270 1.387 21 1HZ LYS 3 2HZ LYS 3 -19.686 -14.857 2.727 22 2HZ LYS 3 1HZ LYS 3 -20.193 -13.273 3.031 23 3HZ LYS 3 3HZ LYS 3 -21.223 -14.572 3.373 24 H CYS 4 H CYS 4 -17.511 -12.693 -3.708 25 HA CYS 4 HA CYS 4 -15.924 -10.365 -2.974 26 1HB CYS 4 2HB CYS 4 -16.544 -11.819 -5.441 27 2HB CYS 4 1HB CYS 4 -16.568 -10.071 -5.645 28 H LYS 5 H LYS 5 -18.996 -11.029 -2.516 29 HA LYS 5 HA LYS 5 -19.819 -8.250 -2.854 30 1HB LYS 5 2HB LYS 5 -21.844 -8.729 -3.981 31 2HB LYS 5 1HB LYS 5 -20.593 -9.594 -4.861 32 1HG LYS 5 2HG LYS 5 -22.489 -10.798 -2.853 33 2HG LYS 5 1HG LYS 5 -22.600 -10.941 -4.608 34 1HD LYS 5 2HD LYS 5 -20.336 -12.008 -4.579 35 2HD LYS 5 1HD LYS 5 -20.432 -12.023 -2.818 36 1HE LYS 5 2HE LYS 5 -21.104 -14.175 -3.697 37 2HE LYS 5 1HE LYS 5 -22.489 -13.366 -2.963 38 1HZ LYS 5 3HZ LYS 5 -22.789 -12.548 -5.442 39 2HZ LYS 5 2HZ LYS 5 -21.974 -13.993 -5.768 40 3HZ LYS 5 1HZ LYS 5 -23.426 -14.020 -4.902 41 H LYS 6 H LYS 6 -21.713 -7.699 -1.560 42 HA LYS 6 HA LYS 6 -22.544 -9.628 0.442 43 1HB LYS 6 2HB LYS 6 -20.351 -8.218 1.071 44 2HB LYS 6 1HB LYS 6 -21.565 -7.048 1.563 45 1HG LYS 6 2HG LYS 6 -21.576 -8.123 3.525 46 2HG LYS 6 1HG LYS 6 -22.491 -9.379 2.695 47 1HD LYS 6 2HD LYS 6 -20.334 -10.493 2.128 48 2HD LYS 6 1HD LYS 6 -19.502 -9.281 3.102 49 1HE LYS 6 2HE LYS 6 -21.505 -10.252 4.780 50 2HE LYS 6 1HE LYS 6 -20.904 -11.682 3.944 51 1HZ LYS 6 3HZ LYS 6 -18.686 -10.184 4.685 52 2HZ LYS 6 2HZ LYS 6 -19.704 -10.225 6.035 53 3HZ LYS 6 1HZ LYS 6 -19.191 -11.669 5.321 54 H VAL 7 H VAL 7 -24.687 -9.415 0.608 55 HA VAL 7 HA VAL 7 -26.120 -7.237 -0.462 56 HB VAL 7 HB VAL 7 -28.092 -8.274 0.267 57 1HG1 VAL 7 1HG1 VAL 7 -26.723 -9.597 -1.349 58 2HG1 VAL 7 3HG1 VAL 7 -26.152 -10.564 0.010 59 3HG1 VAL 7 2HG1 VAL 7 -27.865 -10.555 -0.408 60 1HG2 VAL 7 1HG2 VAL 7 -26.406 -9.295 2.497 61 2HG2 VAL 7 3HG2 VAL 7 -28.006 -8.555 2.532 62 3HG2 VAL 7 2HG2 VAL 7 -27.823 -10.227 2.011 63 H TYR 8 H TYR 8 -27.028 -5.463 0.424 64 HA TYR 8 HA TYR 8 -25.836 -4.164 2.531 65 1HB TYR 8 2HB TYR 8 -27.132 -2.937 0.951 66 2HB TYR 8 1HB TYR 8 -28.592 -3.834 1.355 67 HD1 TYR 8 HD1 TYR 8 -29.723 -3.432 3.530 68 HD2 TYR 8 HD2 TYR 8 -26.443 -1.061 2.232 69 HE1 TYR 8 HE1 TYR 8 -30.321 -1.715 5.180 70 HE2 TYR 8 HE2 TYR 8 -27.025 0.667 3.883 71 HH TYR 8 HH TYR 8 -29.673 0.185 6.184 72 H GLU 9 H GLU 9 -27.744 -6.850 2.805 73 HA GLU 9 HA GLU 9 -28.232 -8.029 4.727 74 1HB GLU 9 2HB GLU 9 -28.247 -5.449 6.300 75 2HB GLU 9 1HB GLU 9 -28.263 -7.083 6.922 76 1HG GLU 9 2HG GLU 9 -26.010 -7.437 5.958 77 2HG GLU 9 1HG GLU 9 -25.976 -5.738 5.506 78 H ASN 10 H ASN 10 -29.903 -6.007 2.972 79 HA ASN 10 HA ASN 10 -32.210 -6.489 2.548 80 1HB ASN 10 2HB ASN 10 -32.501 -7.782 4.668 81 2HB ASN 10 1HB ASN 10 -32.644 -6.250 5.531 82 1HD2 ASN 10 2HD2 ASN 10 -36.060 -7.200 5.001 83 2HD2 ASN 10 1HD2 ASN 10 -34.704 -7.578 6.004 84 H TYR 11 H TYR 11 -31.539 -4.409 1.621 85 HA TYR 11 HA TYR 11 -31.705 -1.947 2.900 86 1HB TYR 11 2HB TYR 11 -31.084 -2.678 0.414 87 2HB TYR 11 1HB TYR 11 -32.750 -2.208 0.105 88 HD1 TYR 11 HD2 TYR 11 -29.452 -0.999 1.217 89 HD2 TYR 11 HD1 TYR 11 -33.384 0.098 0.038 90 HE1 TYR 11 HE2 TYR 11 -28.727 1.341 1.026 91 HE2 TYR 11 HE1 TYR 11 -32.674 2.443 -0.165 92 HH TYR 11 HH TYR 11 -29.361 3.375 -0.077 93 HA PRO 12 HA PRO 12 -35.996 -1.556 3.988 94 1HB PRO 12 2HB PRO 12 -36.336 1.168 3.645 95 2HB PRO 12 1HB PRO 12 -35.616 0.416 5.070 96 1HG PRO 12 2HG PRO 12 -34.274 1.655 2.705 97 2HG PRO 12 1HG PRO 12 -33.857 1.777 4.425 98 1HD PRO 12 2HD PRO 12 -32.506 0.170 2.776 99 2HD PRO 12 1HD PRO 12 -32.831 -0.301 4.450 100 H VAL 13 H VAL 13 -35.451 -2.353 1.302 101 HA VAL 13 HA VAL 13 -36.173 -1.849 -0.953 102 HB VAL 13 HB VAL 13 -38.327 -3.143 0.685 103 1HG1 VAL 13 1HG1 VAL 13 -38.216 -2.515 -2.190 104 2HG1 VAL 13 3HG1 VAL 13 -38.682 -4.169 -1.797 105 3HG1 VAL 13 2HG1 VAL 13 -39.606 -2.815 -1.149 106 1HG2 VAL 13 1HG2 VAL 13 -35.936 -4.109 0.482 107 2HG2 VAL 13 3HG2 VAL 13 -37.314 -5.180 0.233 108 3HG2 VAL 13 2HG2 VAL 13 -36.431 -4.543 -1.154 109 H SER 14 H SER 14 -36.343 0.436 -1.047 110 HA SER 14 HA SER 14 -38.876 1.358 -1.831 111 1HB SER 14 2HB SER 14 -39.647 2.650 -0.091 112 2HB SER 14 1HB SER 14 -38.871 1.360 0.826 113 HG SER 14 HG SER 14 -38.378 3.863 1.075 114 H LYS 15 H LYS 15 -35.895 1.334 -2.384 115 HA LYS 15 HA LYS 15 -35.770 3.776 -3.782 116 1HB LYS 15 2HB LYS 15 -34.641 3.742 -1.060 117 2HB LYS 15 1HB LYS 15 -33.510 4.300 -2.281 118 1HG LYS 15 2HG LYS 15 -35.515 5.839 -2.997 119 2HG LYS 15 1HG LYS 15 -36.056 5.530 -1.348 120 1HD LYS 15 2HD LYS 15 -34.011 6.413 -0.453 121 2HD LYS 15 1HD LYS 15 -33.319 6.563 -2.070 122 1HE LYS 15 2HE LYS 15 -35.853 7.979 -1.313 123 2HE LYS 15 1HE LYS 15 -34.274 8.674 -0.955 124 1HZ LYS 15 1HZ LYS 15 -35.021 7.792 -3.680 125 2HZ LYS 15 3HZ LYS 15 -35.355 9.353 -3.119 126 3HZ LYS 15 2HZ LYS 15 -33.755 8.816 -3.221 127 H CYS 16 H CYS 16 -35.066 2.732 -5.533 128 HA CYS 16 HA CYS 16 -32.344 1.991 -5.744 129 1HB CYS 16 2HB CYS 16 -34.242 -0.106 -5.037 130 2HB CYS 16 1HB CYS 16 -33.355 -0.482 -6.510 131 H GLN 17 H GLN 17 -35.145 3.026 -7.047 132 HA GLN 17 HA GLN 17 -34.923 1.943 -9.691 133 1HB GLN 17 2HB GLN 17 -36.555 4.199 -8.533 134 2HB GLN 17 1HB GLN 17 -36.639 3.715 -10.223 135 1HG GLN 17 2HG GLN 17 -37.665 1.722 -9.746 136 2HG GLN 17 1HG GLN 17 -37.026 1.667 -8.103 137 1HE2 GLN 17 2HE2 GLN 17 -40.072 4.337 -8.661 138 2HE2 GLN 17 1HE2 GLN 17 -38.726 4.291 -9.743 139 H LEU 18 H LEU 18 -32.491 2.818 -9.168 140 HA LEU 18 HA LEU 18 -31.987 4.729 -11.213 141 1HB LEU 18 2HB LEU 18 -31.618 5.531 -8.332 142 2HB LEU 18 1HB LEU 18 -30.619 6.216 -9.598 143 HG LEU 18 HG LEU 18 -33.127 6.616 -10.615 144 1HD1 LEU 18 3HD1 LEU 18 -33.855 5.848 -8.191 145 2HD1 LEU 18 2HD1 LEU 18 -33.482 7.527 -7.810 146 3HD1 LEU 18 1HD1 LEU 18 -34.687 7.148 -9.040 147 1HD2 LEU 18 1HD2 LEU 18 -31.404 8.417 -8.932 148 2HD2 LEU 18 3HD2 LEU 18 -31.463 8.301 -10.691 149 3HD2 LEU 18 2HD2 LEU 18 -32.829 8.980 -9.806 150 H ALA 19 H ALA 19 -29.610 5.018 -8.872 151 HA ALA 19 HA ALA 19 -28.208 2.697 -8.754 152 1HB ALA 19 1HB ALA 19 -28.007 3.935 -11.449 153 2HB ALA 19 3HB ALA 19 -26.556 3.209 -10.758 154 3HB ALA 19 2HB ALA 19 -28.007 2.234 -10.983 155 H ASN 20 H ASN 20 -28.428 4.936 -7.212 156 HA ASN 20 HA ASN 20 -25.645 5.862 -7.127 157 1HB ASN 20 2HB ASN 20 -26.805 7.673 -8.179 158 2HB ASN 20 1HB ASN 20 -28.100 7.610 -6.987 159 1HD2 ASN 20 2HD2 ASN 20 -24.534 8.823 -5.428 160 2HD2 ASN 20 1HD2 ASN 20 -24.662 7.353 -6.327 161 H GLN 21 H GLN 21 -28.683 6.315 -5.278 162 HA GLN 21 HA GLN 21 -27.694 6.699 -2.798 163 1HB GLN 21 2HB GLN 21 -30.111 6.561 -3.365 164 2HB GLN 21 1HB GLN 21 -29.976 4.808 -3.403 165 1HG GLN 21 2HG GLN 21 -30.892 5.359 -1.308 166 2HG GLN 21 1HG GLN 21 -29.208 4.928 -1.009 167 1HE2 GLN 21 2HE2 GLN 21 -29.072 8.863 -1.139 168 2HE2 GLN 21 1HE2 GLN 21 -29.076 7.802 -2.503 169 H CYS 22 H CYS 22 -28.678 3.401 -3.713 170 HA CYS 22 HA CYS 22 -27.148 2.160 -1.711 171 1HB CYS 22 2HB CYS 22 -28.610 1.231 -4.136 172 2HB CYS 22 1HB CYS 22 -27.493 0.113 -3.357 173 H ASN 23 H ASN 23 -26.489 2.652 -5.166 174 HA ASN 23 HA ASN 23 -24.159 1.208 -5.439 175 1HB ASN 23 2HB ASN 23 -25.479 2.622 -7.175 176 2HB ASN 23 1HB ASN 23 -24.415 3.934 -6.679 177 1HD2 ASN 23 2HD2 ASN 23 -22.556 2.719 -9.428 178 2HD2 ASN 23 1HD2 ASN 23 -23.799 3.825 -8.962 179 H TYR 24 H TYR 24 -24.189 4.732 -4.893 180 HA TYR 24 HA TYR 24 -21.529 5.020 -4.236 181 1HB TYR 24 2HB TYR 24 -22.344 7.127 -4.332 182 2HB TYR 24 1HB TYR 24 -23.967 6.598 -3.913 183 HD1 TYR 24 HD1 TYR 24 -20.723 6.630 -2.063 184 HD2 TYR 24 HD2 TYR 24 -24.796 7.846 -2.169 185 HE1 TYR 24 HE1 TYR 24 -20.473 7.637 0.162 186 HE2 TYR 24 HE2 TYR 24 -24.559 8.858 0.054 187 HH TYR 24 HH TYR 24 -21.430 8.942 1.714 188 H ASP 25 H ASP 25 -24.262 4.458 -1.992 189 HA ASP 25 HA ASP 25 -22.973 4.455 0.408 190 1HB ASP 25 2HB ASP 25 -25.238 2.845 -0.679 191 2HB ASP 25 1HB ASP 25 -24.549 2.337 0.858 192 H CYS 26 H CYS 26 -23.279 1.577 -1.703 193 HA CYS 26 HA CYS 26 -21.528 -0.040 -0.224 194 1HB CYS 26 2HB CYS 26 -22.098 -0.098 -3.200 195 2HB CYS 26 1HB CYS 26 -21.305 -1.383 -2.294 196 H LYS 27 H LYS 27 -20.964 2.132 -2.960 197 HA LYS 27 HA LYS 27 -18.235 1.679 -3.332 198 1HB LYS 27 2HB LYS 27 -19.995 3.147 -4.646 199 2HB LYS 27 1HB LYS 27 -19.355 4.436 -3.637 200 1HG LYS 27 2HG LYS 27 -17.173 4.165 -4.525 201 2HG LYS 27 1HG LYS 27 -17.623 2.665 -5.340 202 1HD LYS 27 2HD LYS 27 -18.957 3.799 -6.915 203 2HD LYS 27 1HD LYS 27 -18.968 5.282 -5.958 204 1HE LYS 27 2HE LYS 27 -17.484 5.337 -7.978 205 2HE LYS 27 1HE LYS 27 -16.681 5.714 -6.454 206 1HZ LYS 27 3HZ LYS 27 -16.352 3.048 -6.638 207 2HZ LYS 27 2HZ LYS 27 -16.253 3.510 -8.262 208 3HZ LYS 27 1HZ LYS 27 -15.206 4.196 -7.125 209 H LEU 28 H LEU 28 -19.664 2.591 -0.571 210 HA LEU 28 HA LEU 28 -17.240 3.414 0.674 211 1HB LEU 28 2HB LEU 28 -18.276 5.517 -0.478 212 2HB LEU 28 1HB LEU 28 -19.427 5.461 0.843 213 HG LEU 28 HG LEU 28 -17.323 5.445 2.367 214 1HD1 LEU 28 1HD1 LEU 28 -16.183 6.528 -0.205 215 2HD1 LEU 28 3HD1 LEU 28 -15.422 6.672 1.380 216 3HD1 LEU 28 2HD1 LEU 28 -15.659 5.081 0.656 217 1HD2 LEU 28 1HD2 LEU 28 -18.976 7.274 2.163 218 2HD2 LEU 28 3HD2 LEU 28 -17.334 7.853 2.447 219 3HD2 LEU 28 2HD2 LEU 28 -18.033 7.938 0.830 220 H ASP 29 H ASP 29 -19.309 4.956 2.540 221 HA ASP 29 HA ASP 29 -20.057 4.388 4.649 222 1HB ASP 29 2HB ASP 29 -21.848 3.054 2.653 223 2HB ASP 29 1HB ASP 29 -22.182 2.906 4.373 224 H LYS 30 H LYS 30 -20.433 1.276 2.940 225 HA LYS 30 HA LYS 30 -19.556 -0.141 5.317 226 1HB LYS 30 2HB LYS 30 -20.727 -0.950 2.671 227 2HB LYS 30 1HB LYS 30 -19.965 -2.149 3.704 228 1HG LYS 30 2HG LYS 30 -22.406 -2.048 3.967 229 2HG LYS 30 1HG LYS 30 -21.537 -1.713 5.465 230 1HD LYS 30 2HD LYS 30 -22.246 0.445 5.553 231 2HD LYS 30 1HD LYS 30 -22.208 0.640 3.800 232 1HE LYS 30 2HE LYS 30 -24.266 -1.169 4.948 233 2HE LYS 30 1HE LYS 30 -24.486 0.571 5.148 234 1HZ LYS 30 1HZ LYS 30 -24.016 0.650 2.642 235 2HZ LYS 30 3HZ LYS 30 -24.377 -1.002 2.658 236 3HZ LYS 30 2HZ LYS 30 -25.537 0.123 3.157 237 H HIS 31 H HIS 31 -18.098 1.301 2.722 238 HA HIS 31 HA HIS 31 -15.894 1.363 2.117 239 1HB HIS 31 2HB HIS 31 -15.271 -1.161 3.594 240 2HB HIS 31 1HB HIS 31 -14.270 0.266 3.349 241 HD1 HIS 31 HD1 HIS 31 -15.396 -1.324 6.074 242 HD2 HIS 31 HD2 HIS 31 -16.187 2.518 4.707 243 HE1 HIS 31 HE1 HIS 31 -16.121 -0.026 8.102 244 HE2 HIS 31 HE2 HIS 31 -16.706 2.264 7.228 245 H ALA 32 H ALA 32 -17.916 0.014 0.578 246 HA ALA 32 HA ALA 32 -16.580 -2.342 -0.500 247 1HB ALA 32 3HB ALA 32 -19.247 -1.638 -0.246 248 2HB ALA 32 2HB ALA 32 -18.935 -1.456 -1.972 249 3HB ALA 32 1HB ALA 32 -18.614 -2.995 -1.176 250 H ARG 33 H ARG 33 -16.869 -2.394 -3.078 251 HA ARG 33 HA ARG 33 -15.295 -0.114 -4.051 252 1HB ARG 33 2HB ARG 33 -15.738 -2.880 -5.187 253 2HB ARG 33 1HB ARG 33 -14.784 -1.628 -5.972 254 1HG ARG 33 2HG ARG 33 -13.337 -1.588 -3.916 255 2HG ARG 33 1HG ARG 33 -14.206 -3.024 -3.373 256 1HD ARG 33 2HD ARG 33 -13.558 -3.862 -5.814 257 2HD ARG 33 1HD ARG 33 -12.249 -2.703 -5.585 258 HE ARG 33 HE ARG 33 -12.578 -5.235 -4.263 259 1HH1 ARG 33 1HH2 ARG 33 -11.134 -2.073 -4.074 260 2HH1 ARG 33 2HH2 ARG 33 -9.871 -2.572 -2.998 261 1HH2 ARG 33 2HH1 ARG 33 -10.913 -5.904 -2.850 262 2HH2 ARG 33 1HH1 ARG 33 -9.745 -4.747 -2.303 263 H SER 34 H SER 34 -18.300 -1.798 -4.444 264 HA SER 34 HA SER 34 -19.575 0.340 -5.740 265 1HB SER 34 2HB SER 34 -19.902 -0.531 -7.974 266 2HB SER 34 1HB SER 34 -18.170 -0.442 -7.659 267 HG SER 34 HG SER 34 -18.206 -2.462 -8.243 268 H GLY 35 H GLY 35 -21.490 -1.158 -7.234 269 1HA GLY 35 2HA GLY 35 -22.545 -3.410 -6.088 270 2HA GLY 35 1HA GLY 35 -23.091 -2.102 -5.050 271 H GLU 36 H GLU 36 -25.128 -3.251 -5.941 272 HA GLU 36 HA GLU 36 -26.470 -1.434 -7.600 273 1HB GLU 36 2HB GLU 36 -24.913 -3.034 -9.144 274 2HB GLU 36 1HB GLU 36 -26.387 -3.990 -9.096 275 1HG GLU 36 2HG GLU 36 -27.639 -1.996 -9.875 276 2HG GLU 36 1HG GLU 36 -26.103 -1.147 -10.039 277 H CYS 37 H CYS 37 -28.713 -2.049 -7.974 278 HA CYS 37 HA CYS 37 -29.669 -3.765 -5.837 279 1HB CYS 37 2HB CYS 37 -31.335 -2.137 -7.752 280 2HB CYS 37 1HB CYS 37 -31.806 -2.757 -6.173 281 H PHE 38 H PHE 38 -31.072 -5.503 -6.100 282 HA PHE 38 HA PHE 38 -31.480 -6.499 -8.833 283 1HB PHE 38 2HB PHE 38 -29.993 -7.878 -6.625 284 2HB PHE 38 1HB PHE 38 -30.912 -8.838 -7.778 285 HD1 PHE 38 HD2 PHE 38 -28.104 -6.477 -7.408 286 HD2 PHE 38 HD1 PHE 38 -30.135 -9.188 -9.984 287 HE1 PHE 38 HE2 PHE 38 -26.219 -6.383 -8.988 288 HE2 PHE 38 HE1 PHE 38 -28.255 -9.100 -11.569 289 HZ PHE 38 HZ PHE 38 -26.293 -7.697 -11.070 290 H TYR 39 H TYR 39 -33.452 -7.342 -9.149 291 HA TYR 39 HA TYR 39 -35.267 -7.433 -6.884 292 1HB TYR 39 2HB TYR 39 -35.676 -7.528 -9.862 293 2HB TYR 39 1HB TYR 39 -36.984 -7.874 -8.735 294 HD1 TYR 39 HD1 TYR 39 -34.524 -5.263 -9.692 295 HD2 TYR 39 HD2 TYR 39 -38.221 -6.121 -7.759 296 HE1 TYR 39 HE1 TYR 39 -34.974 -2.854 -9.498 297 HE2 TYR 39 HE2 TYR 39 -38.678 -3.711 -7.564 298 HH TYR 39 HH TYR 39 -36.487 -1.394 -7.791 299 H ASP 40 H ASP 40 -36.280 -9.229 -6.112 300 HA ASP 40 HA ASP 40 -35.165 -11.787 -6.970 301 1HB ASP 40 2HB ASP 40 -36.504 -12.569 -4.871 302 2HB ASP 40 1HB ASP 40 -35.021 -11.646 -4.646 303 H GLU 41 H GLU 41 -36.322 -11.707 -8.937 304 HA GLU 41 HA GLU 41 -38.275 -11.785 -10.206 305 1HB GLU 41 2HB GLU 41 -38.969 -14.330 -9.974 306 2HB GLU 41 1HB GLU 41 -37.427 -13.854 -10.667 307 1HG GLU 41 2HG GLU 41 -36.317 -14.257 -8.555 308 2HG GLU 41 1HG GLU 41 -37.859 -14.667 -7.803 309 H LYS 42 H LYS 42 -39.158 -10.428 -8.009 310 HA LYS 42 HA LYS 42 -41.858 -11.509 -7.716 311 1HB LYS 42 2HB LYS 42 -39.965 -10.922 -5.478 312 2HB LYS 42 1HB LYS 42 -41.685 -10.630 -5.244 313 1HG LYS 42 2HG LYS 42 -42.195 -12.928 -5.730 314 2HG LYS 42 1HG LYS 42 -40.509 -13.251 -6.137 315 1HD LYS 42 2HD LYS 42 -41.075 -14.055 -3.899 316 2HD LYS 42 1HD LYS 42 -39.848 -12.791 -3.848 317 1HE LYS 42 2HE LYS 42 -42.661 -11.903 -3.616 318 2HE LYS 42 1HE LYS 42 -42.014 -12.815 -2.253 319 1HZ LYS 42 1HZ LYS 42 -40.031 -11.090 -2.708 320 2HZ LYS 42 3HZ LYS 42 -41.357 -10.148 -3.170 321 3HZ LYS 42 2HZ LYS 42 -41.289 -10.806 -1.614 322 H ARG 43 H ARG 43 -39.947 -8.789 -6.435 323 HA ARG 43 HA ARG 43 -40.804 -6.747 -8.011 324 1HB ARG 43 2HB ARG 43 -42.880 -7.541 -6.030 325 2HB ARG 43 1HB ARG 43 -42.589 -5.821 -6.211 326 1HG ARG 43 2HG ARG 43 -42.844 -6.986 -8.821 327 2HG ARG 43 1HG ARG 43 -44.203 -7.502 -7.827 328 1HD ARG 43 2HD ARG 43 -43.319 -4.636 -8.146 329 2HD ARG 43 1HD ARG 43 -44.596 -5.394 -9.098 330 HE ARG 43 HE ARG 43 -45.385 -5.844 -6.552 331 1HH1 ARG 43 1HH2 ARG 43 -44.403 -2.980 -8.274 332 2HH1 ARG 43 2HH2 ARG 43 -45.395 -1.916 -7.332 333 1HH2 ARG 43 2HH1 ARG 43 -46.695 -4.453 -5.305 334 2HH2 ARG 43 1HH1 ARG 43 -46.696 -2.754 -5.641 335 H ASN 44 H ASN 44 -39.867 -7.946 -4.946 336 HA ASN 44 HA ASN 44 -39.026 -5.344 -3.950 337 1HB ASN 44 2HB ASN 44 -38.840 -8.148 -2.831 338 2HB ASN 44 1HB ASN 44 -38.109 -6.756 -2.037 339 1HD2 ASN 44 2HD2 ASN 44 -41.547 -7.505 -0.726 340 2HD2 ASN 44 1HD2 ASN 44 -40.159 -8.489 -1.027 341 H LEU 45 H LEU 45 -36.634 -5.342 -3.057 342 HA LEU 45 HA LEU 45 -34.839 -6.849 -4.775 343 1HB LEU 45 2HB LEU 45 -33.646 -4.736 -5.450 344 2HB LEU 45 1HB LEU 45 -35.189 -5.036 -6.224 345 HG LEU 45 HG LEU 45 -34.886 -2.672 -5.626 346 1HD1 LEU 45 3HD1 LEU 45 -37.135 -4.032 -5.491 347 2HD1 LEU 45 2HD1 LEU 45 -37.017 -3.604 -3.784 348 3HD1 LEU 45 1HD1 LEU 45 -37.051 -2.337 -5.010 349 1HD2 LEU 45 1HD2 LEU 45 -33.544 -3.336 -3.513 350 2HD2 LEU 45 3HD2 LEU 45 -34.553 -1.891 -3.485 351 3HD2 LEU 45 2HD2 LEU 45 -35.127 -3.381 -2.736 352 H GLN 46 H GLN 46 -32.537 -6.310 -4.357 353 HA GLN 46 HA GLN 46 -32.028 -5.445 -1.601 354 1HB GLN 46 2HB GLN 46 -30.870 -7.959 -2.833 355 2HB GLN 46 1HB GLN 46 -30.506 -7.328 -1.232 356 1HG GLN 46 2HG GLN 46 -32.457 -8.071 -0.338 357 2HG GLN 46 1HG GLN 46 -33.347 -7.890 -1.849 358 1HE2 GLN 46 2HE2 GLN 46 -32.684 -11.499 -0.885 359 2HE2 GLN 46 1HE2 GLN 46 -33.181 -10.135 0.052 360 H CYS 47 H CYS 47 -30.106 -4.398 -1.327 361 HA CYS 47 HA CYS 47 -28.754 -3.595 -3.778 362 1HB CYS 47 2HB CYS 47 -28.670 -2.517 -0.962 363 2HB CYS 47 1HB CYS 47 -27.695 -1.879 -2.282 364 H ILE 48 H ILE 48 -27.265 -5.003 -4.393 365 HA ILE 48 HA ILE 48 -25.591 -6.380 -2.487 366 HB ILE 48 HB ILE 48 -25.585 -6.419 -5.503 367 1HG1 ILE 48 2HG1 ILE 48 -26.654 -8.377 -3.456 368 2HG1 ILE 48 1HG1 ILE 48 -27.617 -7.370 -4.533 369 1HG2 ILE 48 3HG2 ILE 48 -24.033 -8.050 -3.502 370 2HG2 ILE 48 2HG2 ILE 48 -24.196 -8.475 -5.206 371 3HG2 ILE 48 1HG2 ILE 48 -23.389 -6.976 -4.745 372 1HD1 ILE 48 3HD1 ILE 48 -26.048 -8.703 -6.301 373 2HD1 ILE 48 2HD1 ILE 48 -26.266 -9.910 -5.034 374 3HD1 ILE 48 1HD1 ILE 48 -27.672 -9.191 -5.819 375 H CYS 49 H CYS 49 -23.763 -5.597 -1.718 376 HA CYS 49 HA CYS 49 -22.444 -3.380 -3.090 377 1HB CYS 49 2HB CYS 49 -21.978 -4.611 -0.364 378 2HB CYS 49 1HB CYS 49 -21.072 -3.246 -1.009 379 H ASP 50 H ASP 50 -20.904 -3.845 -4.513 380 HA ASP 50 HA ASP 50 -19.583 -6.437 -4.413 381 1HB ASP 50 2HB ASP 50 -19.927 -4.305 -6.472 382 2HB ASP 50 1HB ASP 50 -18.529 -5.368 -6.611 383 H TYR 51 H TYR 51 -17.731 -6.736 -3.482 384 HA TYR 51 HA TYR 51 -16.030 -4.451 -2.814 385 1HB TYR 51 2HB TYR 51 -16.242 -7.275 -1.800 386 2HB TYR 51 1HB TYR 51 -14.863 -6.255 -1.397 387 HD1 TYR 51 HD1 TYR 51 -18.486 -6.728 -0.969 388 HD2 TYR 51 HD2 TYR 51 -15.086 -4.436 0.167 389 HE1 TYR 51 HE1 TYR 51 -19.773 -5.745 0.879 390 HE2 TYR 51 HE2 TYR 51 -16.365 -3.449 2.021 391 HH TYR 51 HH TYR 51 -18.639 -4.431 3.418 392 H CYS 52 H CYS 52 -16.308 -6.109 -5.441 393 HA CYS 52 HA CYS 52 -13.431 -6.194 -5.961 394 1HB CYS 52 2HB CYS 52 -15.318 -8.457 -6.646 395 2HB CYS 52 1HB CYS 52 -13.627 -8.358 -7.122 396 H GLU 53 H GLU 53 -15.534 -7.710 -8.202 397 HA GLU 53 HA GLU 53 -16.033 -7.201 -10.368 398 1HB GLU 53 2HB GLU 53 -16.916 -4.782 -8.825 399 2HB GLU 53 1HB GLU 53 -17.117 -4.848 -10.571 400 1HG GLU 53 2HG GLU 53 -18.102 -7.150 -8.985 401 2HG GLU 53 1HG GLU 53 -19.011 -5.643 -8.901 402 H TYR 54 HN TYR 54 -15.348 -3.835 -9.744 403 HA TYR 54 HA TYR 54 -12.725 -3.994 -10.976 404 1HB TYR 54 2HB TYR 54 -14.972 -2.419 -12.246 405 2HB TYR 54 1HB TYR 54 -13.286 -2.384 -12.752 406 HD1 TYR 54 HD1 TYR 54 -12.248 -4.589 -13.549 407 HD2 TYR 54 HD2 TYR 54 -16.442 -4.002 -13.139 408 HE1 TYR 54 HE1 TYR 54 -12.655 -6.488 -15.057 409 HE2 TYR 54 HE2 TYR 54 -16.860 -5.902 -14.646 410 HH TYR 54 HH TYR 54 -15.707 -7.925 -15.425 No H/Q in entry = 410 Start of MODEL 11 1 HN PCA 1 HN PCA 1 -16.697 -16.026 3.357 2 HA PCA 1 HA PCA 1 -14.779 -17.670 3.206 3 1HB PCA 1 1HB PCA 1 -15.389 -19.705 2.426 4 2HB PCA 1 2HB PCA 1 -15.535 -19.014 0.795 5 1HG PCA 1 1HG PCA 1 -17.656 -19.824 2.548 6 2HG PCA 1 2HG PCA 1 -17.810 -19.003 0.984 7 H ASP 2 H ASP 2 -16.289 -17.111 0.019 8 HA ASP 2 HA ASP 2 -14.291 -15.051 -0.556 9 1HB ASP 2 2HB ASP 2 -14.043 -16.198 -2.877 10 2HB ASP 2 1HB ASP 2 -13.130 -16.830 -1.511 11 H LYS 3 H LYS 3 -16.986 -14.662 -0.019 12 HA LYS 3 HA LYS 3 -18.460 -14.472 -2.486 13 1HB LYS 3 2HB LYS 3 -19.037 -13.378 0.274 14 2HB LYS 3 1HB LYS 3 -20.151 -13.298 -1.084 15 1HG LYS 3 2HG LYS 3 -19.076 -15.945 -0.228 16 2HG LYS 3 1HG LYS 3 -20.373 -15.186 0.697 17 1HD LYS 3 2HD LYS 3 -21.783 -15.097 -1.247 18 2HD LYS 3 1HD LYS 3 -20.469 -15.662 -2.279 19 1HE LYS 3 2HE LYS 3 -20.947 -17.496 -0.079 20 2HE LYS 3 1HE LYS 3 -22.410 -17.236 -1.027 21 1HZ LYS 3 1HZ LYS 3 -20.637 -17.579 -2.969 22 2HZ LYS 3 3HZ LYS 3 -19.922 -18.537 -1.773 23 3HZ LYS 3 2HZ LYS 3 -21.505 -18.853 -2.276 24 H CYS 4 H CYS 4 -18.286 -12.899 -3.922 25 HA CYS 4 HA CYS 4 -16.881 -10.446 -3.189 26 1HB CYS 4 2HB CYS 4 -16.912 -12.087 -5.492 27 2HB CYS 4 1HB CYS 4 -17.588 -10.535 -5.977 28 H LYS 5 H LYS 5 -19.917 -11.315 -2.868 29 HA LYS 5 HA LYS 5 -20.875 -8.615 -3.264 30 1HB LYS 5 2HB LYS 5 -22.580 -9.008 -4.749 31 2HB LYS 5 1HB LYS 5 -21.373 -10.131 -5.351 32 1HG LYS 5 2HG LYS 5 -23.632 -10.907 -3.508 33 2HG LYS 5 1HG LYS 5 -23.669 -11.049 -5.261 34 1HD LYS 5 2HD LYS 5 -21.387 -12.264 -3.790 35 2HD LYS 5 1HD LYS 5 -22.952 -13.082 -3.754 36 1HE LYS 5 2HE LYS 5 -21.800 -12.144 -6.347 37 2HE LYS 5 1HE LYS 5 -21.235 -13.651 -5.627 38 1HZ LYS 5 3HZ LYS 5 -24.117 -13.139 -6.001 39 2HZ LYS 5 2HZ LYS 5 -23.176 -13.735 -7.273 40 3HZ LYS 5 1HZ LYS 5 -23.316 -14.621 -5.838 41 H LYS 6 H LYS 6 -22.247 -7.970 -1.718 42 HA LYS 6 HA LYS 6 -23.733 -9.930 -0.181 43 1HB LYS 6 2HB LYS 6 -22.705 -8.611 1.931 44 2HB LYS 6 1HB LYS 6 -22.022 -10.101 1.306 45 1HG LYS 6 2HG LYS 6 -20.396 -8.848 0.022 46 2HG LYS 6 1HG LYS 6 -21.090 -7.330 0.597 47 1HD LYS 6 2HD LYS 6 -20.231 -9.331 2.626 48 2HD LYS 6 1HD LYS 6 -18.977 -8.438 1.763 49 1HE LYS 6 2HE LYS 6 -19.790 -7.442 3.953 50 2HE LYS 6 1HE LYS 6 -19.753 -6.367 2.556 51 1HZ LYS 6 3HZ LYS 6 -22.196 -7.807 3.418 52 2HZ LYS 6 2HZ LYS 6 -21.807 -6.252 3.957 53 3HZ LYS 6 1HZ LYS 6 -22.081 -6.532 2.311 54 H VAL 7 H VAL 7 -25.634 -9.154 0.470 55 HA VAL 7 HA VAL 7 -26.510 -6.596 -0.336 56 HB VAL 7 HB VAL 7 -28.589 -7.330 0.165 57 1HG1 VAL 7 2HG1 VAL 7 -27.324 -9.306 -0.783 58 2HG1 VAL 7 1HG1 VAL 7 -27.288 -9.946 0.860 59 3HG1 VAL 7 3HG1 VAL 7 -28.833 -9.670 0.056 60 1HG2 VAL 7 1HG2 VAL 7 -27.499 -8.312 2.801 61 2HG2 VAL 7 3HG2 VAL 7 -28.534 -6.912 2.513 62 3HG2 VAL 7 2HG2 VAL 7 -29.173 -8.542 2.293 63 H TYR 8 H TYR 8 -26.886 -4.725 0.770 64 HA TYR 8 HA TYR 8 -25.218 -3.901 2.766 65 1HB TYR 8 2HB TYR 8 -26.866 -2.559 1.341 66 2HB TYR 8 1HB TYR 8 -28.059 -2.918 2.570 67 HD1 TYR 8 HD2 TYR 8 -26.039 -2.618 4.961 68 HD2 TYR 8 HD1 TYR 8 -26.941 -0.208 1.575 69 HE1 TYR 8 HE2 TYR 8 -25.327 -0.635 6.198 70 HE2 TYR 8 HE1 TYR 8 -26.226 1.791 2.813 71 HH TYR 8 HH TYR 8 -25.093 2.509 4.658 72 H GLU 9 H GLU 9 -28.584 -4.093 3.644 73 HA GLU 9 HA GLU 9 -28.489 -6.189 5.447 74 1HB GLU 9 2HB GLU 9 -27.260 -3.778 6.432 75 2HB GLU 9 1HB GLU 9 -28.675 -4.136 7.399 76 1HG GLU 9 2HG GLU 9 -27.840 -6.279 7.975 77 2HG GLU 9 1HG GLU 9 -26.536 -6.150 6.798 78 H ASN 10 H ASN 10 -30.218 -4.949 7.471 79 HA ASN 10 HA ASN 10 -32.691 -5.428 6.525 80 1HB ASN 10 2HB ASN 10 -32.395 -3.002 8.253 81 2HB ASN 10 1HB ASN 10 -33.556 -4.322 8.370 82 1HD2 ASN 10 2HD2 ASN 10 -31.110 -4.582 11.129 83 2HD2 ASN 10 1HD2 ASN 10 -32.211 -3.376 10.567 84 H TYR 11 H TYR 11 -30.710 -2.701 5.749 85 HA TYR 11 HA TYR 11 -31.582 -0.578 4.896 86 1HB TYR 11 2HB TYR 11 -30.032 -2.234 3.498 87 2HB TYR 11 1HB TYR 11 -31.422 -2.215 2.419 88 HD1 TYR 11 HD2 TYR 11 -29.220 0.163 4.291 89 HD2 TYR 11 HD1 TYR 11 -31.511 -0.577 0.782 90 HE1 TYR 11 HE2 TYR 11 -28.456 2.303 3.345 91 HE2 TYR 11 HE1 TYR 11 -30.766 1.565 -0.162 92 HH TYR 11 HH TYR 11 -29.469 3.336 0.093 93 HA PRO 12 HA PRO 12 -36.001 -1.549 4.093 94 1HB PRO 12 2HB PRO 12 -37.041 0.721 5.131 95 2HB PRO 12 1HB PRO 12 -36.576 -0.657 6.134 96 1HG PRO 12 2HG PRO 12 -35.112 1.894 5.619 97 2HG PRO 12 1HG PRO 12 -35.291 0.986 7.131 98 1HD PRO 12 2HD PRO 12 -33.064 0.898 5.549 99 2HD PRO 12 1HD PRO 12 -33.554 -0.421 6.631 100 H VAL 13 H VAL 13 -34.613 -1.030 1.981 101 HA VAL 13 HA VAL 13 -34.224 0.596 0.243 102 HB VAL 13 HB VAL 13 -35.305 -1.435 -0.489 103 1HG1 VAL 13 2HG1 VAL 13 -37.655 -0.245 0.793 104 2HG1 VAL 13 1HG1 VAL 13 -37.993 -0.947 -0.789 105 3HG1 VAL 13 3HG1 VAL 13 -37.268 -1.934 0.479 106 1HG2 VAL 13 2HG2 VAL 13 -35.456 1.051 -1.827 107 2HG2 VAL 13 1HG2 VAL 13 -35.441 -0.560 -2.539 108 3HG2 VAL 13 3HG2 VAL 13 -36.974 0.218 -2.157 109 H SER 14 H SER 14 -37.341 1.056 -0.648 110 HA SER 14 HA SER 14 -38.866 2.779 -0.478 111 1HB SER 14 2HB SER 14 -38.888 4.179 1.336 112 2HB SER 14 1HB SER 14 -37.762 2.977 1.966 113 HG SER 14 HG SER 14 -36.257 4.435 1.951 114 H LYS 15 H LYS 15 -35.785 2.739 -1.554 115 HA LYS 15 HA LYS 15 -36.210 4.810 -3.480 116 1HB LYS 15 2HB LYS 15 -33.677 5.427 -2.146 117 2HB LYS 15 1HB LYS 15 -34.967 6.510 -2.644 118 1HG LYS 15 2HG LYS 15 -36.101 6.255 -0.596 119 2HG LYS 15 1HG LYS 15 -35.138 4.847 -0.146 120 1HD LYS 15 2HD LYS 15 -33.145 6.294 -0.017 121 2HD LYS 15 1HD LYS 15 -34.163 7.690 -0.383 122 1HE LYS 15 2HE LYS 15 -35.514 7.174 1.630 123 2HE LYS 15 1HE LYS 15 -34.393 5.868 2.011 124 1HZ LYS 15 3HZ LYS 15 -32.813 8.080 1.644 125 2HZ LYS 15 2HZ LYS 15 -34.145 8.659 2.512 126 3HZ LYS 15 1HZ LYS 15 -33.231 7.373 3.123 127 H CYS 16 H CYS 16 -35.615 3.646 -5.211 128 HA CYS 16 HA CYS 16 -32.920 2.949 -5.656 129 1HB CYS 16 2HB CYS 16 -34.626 0.885 -4.466 130 2HB CYS 16 1HB CYS 16 -33.837 0.360 -5.950 131 H GLN 17 H GLN 17 -33.091 3.928 -7.589 132 HA GLN 17 HA GLN 17 -34.048 2.461 -9.794 133 1HB GLN 17 2HB GLN 17 -35.776 4.706 -8.797 134 2HB GLN 17 1HB GLN 17 -35.672 4.385 -10.521 135 1HG GLN 17 2HG GLN 17 -36.194 1.897 -9.604 136 2HG GLN 17 1HG GLN 17 -37.025 2.867 -8.391 137 1HE2 GLN 17 2HE2 GLN 17 -39.022 4.443 -11.096 138 2HE2 GLN 17 1HE2 GLN 17 -37.843 5.000 -9.962 139 H LEU 18 H LEU 18 -31.800 4.054 -8.681 140 HA LEU 18 HA LEU 18 -30.867 5.181 -11.120 141 1HB LEU 18 2HB LEU 18 -31.863 6.971 -8.942 142 2HB LEU 18 1HB LEU 18 -30.427 7.458 -9.818 143 HG LEU 18 HG LEU 18 -32.343 6.733 -11.774 144 1HD1 LEU 18 1HD1 LEU 18 -33.501 8.521 -9.648 145 2HD1 LEU 18 3HD1 LEU 18 -34.164 8.320 -11.270 146 3HD1 LEU 18 2HD1 LEU 18 -34.115 6.949 -10.162 147 1HD2 LEU 18 2HD2 LEU 18 -31.359 9.432 -10.870 148 2HD2 LEU 18 1HD2 LEU 18 -30.626 8.399 -12.099 149 3HD2 LEU 18 3HD2 LEU 18 -32.214 9.114 -12.379 150 H ALA 19 H ALA 19 -28.643 5.521 -11.104 151 HA ALA 19 HA ALA 19 -27.114 3.998 -9.349 152 1HB ALA 19 2HB ALA 19 -26.454 6.147 -11.317 153 2HB ALA 19 1HB ALA 19 -25.195 5.488 -10.273 154 3HB ALA 19 3HB ALA 19 -26.077 4.424 -11.370 155 H ASN 20 H ASN 20 -27.438 4.446 -7.194 156 HA ASN 20 HA ASN 20 -25.872 6.487 -6.043 157 1HB ASN 20 2HB ASN 20 -27.828 7.837 -6.887 158 2HB ASN 20 1HB ASN 20 -28.844 6.946 -5.760 159 1HD2 ASN 20 2HD2 ASN 20 -25.916 9.106 -3.923 160 2HD2 ASN 20 1HD2 ASN 20 -25.539 7.994 -5.189 161 H GLN 21 H GLN 21 -28.205 6.622 -3.942 162 HA GLN 21 HA GLN 21 -27.826 5.688 -1.755 163 1HB GLN 21 2HB GLN 21 -29.948 4.491 -3.462 164 2HB GLN 21 1HB GLN 21 -29.696 3.799 -1.864 165 1HG GLN 21 2HG GLN 21 -30.118 6.736 -2.310 166 2HG GLN 21 1HG GLN 21 -31.442 5.603 -2.057 167 1HE2 GLN 21 2HE2 GLN 21 -29.132 6.850 1.024 168 2HE2 GLN 21 1HE2 GLN 21 -28.772 7.257 -0.616 169 H CYS 22 H CYS 22 -28.624 2.682 -3.404 170 HA CYS 22 HA CYS 22 -26.991 1.073 -1.846 171 1HB CYS 22 2HB CYS 22 -27.734 0.537 -4.726 172 2HB CYS 22 1HB CYS 22 -27.306 -0.661 -3.512 173 H ASN 23 H ASN 23 -26.337 2.194 -5.170 174 HA ASN 23 HA ASN 23 -23.770 1.203 -5.439 175 1HB ASN 23 2HB ASN 23 -25.349 2.553 -7.092 176 2HB ASN 23 1HB ASN 23 -24.372 3.914 -6.550 177 1HD2 ASN 23 2HD2 ASN 23 -21.508 2.987 -8.305 178 2HD2 ASN 23 1HD2 ASN 23 -22.193 3.990 -7.076 179 H TYR 24 H TYR 24 -24.551 4.586 -4.637 180 HA TYR 24 HA TYR 24 -22.020 5.404 -3.905 181 1HB TYR 24 2HB TYR 24 -23.435 7.198 -4.024 182 2HB TYR 24 1HB TYR 24 -24.779 6.322 -3.302 183 HD1 TYR 24 HD1 TYR 24 -21.368 7.451 -2.240 184 HD2 TYR 24 HD2 TYR 24 -25.506 7.153 -1.291 185 HE1 TYR 24 HE1 TYR 24 -20.948 8.577 -0.094 186 HE2 TYR 24 HE2 TYR 24 -25.099 8.283 0.855 187 HH TYR 24 HH TYR 24 -21.845 9.036 1.951 188 H ASP 25 H ASP 25 -24.566 4.128 -1.757 189 HA ASP 25 HA ASP 25 -23.222 4.292 0.641 190 1HB ASP 25 2HB ASP 25 -25.246 2.301 -0.365 191 2HB ASP 25 1HB ASP 25 -24.597 2.207 1.269 192 H CYS 26 H CYS 26 -23.343 1.369 -1.417 193 HA CYS 26 HA CYS 26 -21.464 -0.101 0.005 194 1HB CYS 26 2HB CYS 26 -21.936 -0.125 -2.987 195 2HB CYS 26 1HB CYS 26 -21.150 -1.396 -2.063 196 H LYS 27 H LYS 27 -21.026 2.252 -2.585 197 HA LYS 27 HA LYS 27 -18.291 1.930 -3.010 198 1HB LYS 27 2HB LYS 27 -20.336 3.687 -3.897 199 2HB LYS 27 1HB LYS 27 -19.014 4.700 -3.355 200 1HG LYS 27 2HG LYS 27 -18.364 4.426 -5.504 201 2HG LYS 27 1HG LYS 27 -17.610 2.978 -4.844 202 1HD LYS 27 2HD LYS 27 -20.283 3.151 -6.235 203 2HD LYS 27 1HD LYS 27 -18.805 2.435 -6.880 204 1HE LYS 27 2HE LYS 27 -20.298 1.469 -4.445 205 2HE LYS 27 1HE LYS 27 -20.388 0.744 -6.046 206 1HZ LYS 27 1HZ LYS 27 -17.717 0.853 -5.517 207 2HZ LYS 27 3HZ LYS 27 -18.392 0.434 -4.022 208 3HZ LYS 27 2HZ LYS 27 -18.698 -0.518 -5.386 209 H LEU 28 H LEU 28 -19.550 2.655 -0.084 210 HA LEU 28 HA LEU 28 -17.048 3.724 0.846 211 1HB LEU 28 2HB LEU 28 -18.096 5.754 -0.013 212 2HB LEU 28 1HB LEU 28 -19.508 5.466 0.986 213 HG LEU 28 HG LEU 28 -16.921 5.643 2.425 214 1HD1 LEU 28 1HD1 LEU 28 -18.165 8.004 1.039 215 2HD1 LEU 28 3HD1 LEU 28 -17.085 8.151 2.425 216 3HD1 LEU 28 2HD1 LEU 28 -16.502 7.427 0.927 217 1HD2 LEU 28 3HD2 LEU 28 -19.311 5.389 3.377 218 2HD2 LEU 28 2HD2 LEU 28 -18.206 6.531 4.141 219 3HD2 LEU 28 1HD2 LEU 28 -19.456 7.114 3.041 220 H ASP 29 H ASP 29 -20.416 2.959 1.581 221 HA ASP 29 HA ASP 29 -20.084 2.904 4.395 222 1HB ASP 29 2HB ASP 29 -22.139 1.605 2.598 223 2HB ASP 29 1HB ASP 29 -22.219 1.570 4.357 224 H LYS 30 H LYS 30 -19.953 0.401 1.895 225 HA LYS 30 HA LYS 30 -18.884 -1.482 3.896 226 1HB LYS 30 2HB LYS 30 -20.734 -1.777 1.662 227 2HB LYS 30 1HB LYS 30 -19.418 -2.939 1.571 228 1HG LYS 30 2HG LYS 30 -21.257 -3.915 2.750 229 2HG LYS 30 1HG LYS 30 -19.921 -3.652 3.871 230 1HD LYS 30 2HD LYS 30 -21.339 -2.546 5.211 231 2HD LYS 30 1HD LYS 30 -21.461 -1.295 3.974 232 1HE LYS 30 2HE LYS 30 -23.165 -3.778 4.009 233 2HE LYS 30 1HE LYS 30 -23.642 -2.258 4.762 234 1HZ LYS 30 3HZ LYS 30 -23.102 -1.322 2.402 235 2HZ LYS 30 2HZ LYS 30 -23.378 -2.918 1.914 236 3HZ LYS 30 1HZ LYS 30 -24.596 -2.055 2.710 237 H HIS 31 H HIS 31 -17.672 0.713 1.990 238 HA HIS 31 HA HIS 31 -15.836 0.955 0.635 239 1HB HIS 31 2HB HIS 31 -14.484 -1.181 2.234 240 2HB HIS 31 1HB HIS 31 -13.881 0.397 1.737 241 HD1 HIS 31 HD1 HIS 31 -15.084 -1.352 4.624 242 HD2 HIS 31 HD2 HIS 31 -15.272 2.567 3.257 243 HE1 HIS 31 HE1 HIS 31 -15.639 0.037 6.644 244 HE2 HIS 31 HE2 HIS 31 -15.650 2.415 5.812 245 H ALA 32 H ALA 32 -17.598 -0.621 -0.640 246 HA ALA 32 HA ALA 32 -16.323 -3.086 -1.479 247 1HB ALA 32 1HB ALA 32 -18.977 -1.889 -1.673 248 2HB ALA 32 3HB ALA 32 -18.483 -2.701 -3.156 249 3HB ALA 32 2HB ALA 32 -18.513 -3.588 -1.632 250 H ARG 33 H ARG 33 -16.645 -3.372 -4.075 251 HA ARG 33 HA ARG 33 -14.951 -1.252 -5.218 252 1HB ARG 33 2HB ARG 33 -14.560 -3.934 -5.208 253 2HB ARG 33 1HB ARG 33 -15.393 -3.751 -6.746 254 1HG ARG 33 2HG ARG 33 -12.984 -2.121 -5.984 255 2HG ARG 33 1HG ARG 33 -12.872 -3.677 -6.803 256 1HD ARG 33 2HD ARG 33 -12.794 -2.120 -8.536 257 2HD ARG 33 1HD ARG 33 -14.470 -2.666 -8.532 258 HE ARG 33 HE ARG 33 -14.718 -0.528 -7.034 259 1HH1 ARG 33 1HH2 ARG 33 -12.769 -0.936 -9.891 260 2HH1 ARG 33 2HH2 ARG 33 -12.902 0.721 -10.377 261 1HH2 ARG 33 2HH1 ARG 33 -14.900 1.657 -7.662 262 2HH2 ARG 33 1HH1 ARG 33 -14.114 2.197 -9.108 263 H SER 34 H SER 34 -18.001 -2.896 -5.553 264 HA SER 34 HA SER 34 -19.121 -0.822 -7.090 265 1HB SER 34 2HB SER 34 -19.576 -2.621 -9.066 266 2HB SER 34 1HB SER 34 -18.253 -1.456 -9.101 267 HG SER 34 HG SER 34 -17.852 -3.921 -7.830 268 H GLY 35 H GLY 35 -21.390 -1.182 -7.527 269 1HA GLY 35 2HA GLY 35 -22.855 -3.461 -7.175 270 2HA GLY 35 1HA GLY 35 -22.596 -2.868 -5.541 271 H GLU 36 H GLU 36 -25.118 -3.041 -6.200 272 HA GLU 36 HA GLU 36 -26.116 -0.439 -5.943 273 1HB GLU 36 2HB GLU 36 -27.304 -0.224 -8.124 274 2HB GLU 36 1HB GLU 36 -25.557 -0.101 -8.262 275 1HG GLU 36 2HG GLU 36 -25.490 -2.470 -8.957 276 2HG GLU 36 1HG GLU 36 -27.253 -2.490 -8.932 277 H CYS 37 H CYS 37 -28.653 -0.743 -7.124 278 HA CYS 37 HA CYS 37 -29.773 -2.746 -5.350 279 1HB CYS 37 2HB CYS 37 -30.626 -0.227 -6.332 280 2HB CYS 37 1HB CYS 37 -31.781 -1.410 -6.929 281 H PHE 38 H PHE 38 -30.523 -4.698 -5.977 282 HA PHE 38 HA PHE 38 -31.249 -5.132 -8.768 283 1HB PHE 38 2HB PHE 38 -29.066 -6.659 -7.353 284 2HB PHE 38 1HB PHE 38 -29.872 -7.257 -8.794 285 HD1 PHE 38 HD1 PHE 38 -30.016 -5.140 -10.647 286 HD2 PHE 38 HD2 PHE 38 -26.957 -5.919 -7.787 287 HE1 PHE 38 HE1 PHE 38 -28.399 -3.934 -12.051 288 HE2 PHE 38 HE2 PHE 38 -25.338 -4.718 -9.190 289 HZ PHE 38 HZ PHE 38 -26.056 -3.720 -11.323 290 H TYR 39 H TYR 39 -32.112 -7.336 -9.131 291 HA TYR 39 HA TYR 39 -33.832 -8.113 -6.888 292 1HB TYR 39 2HB TYR 39 -33.987 -8.554 -9.870 293 2HB TYR 39 1HB TYR 39 -35.007 -9.444 -8.747 294 HD1 TYR 39 HD1 TYR 39 -34.271 -6.110 -10.129 295 HD2 TYR 39 HD2 TYR 39 -36.870 -8.435 -7.699 296 HE1 TYR 39 HE1 TYR 39 -35.918 -4.285 -10.158 297 HE2 TYR 39 HE2 TYR 39 -38.527 -6.614 -7.713 298 HH TYR 39 HH TYR 39 -38.405 -4.016 -8.055 299 H ASP 40 H ASP 40 -33.759 -10.527 -9.142 300 HA ASP 40 HA ASP 40 -33.085 -12.696 -9.074 301 1HB ASP 40 2HB ASP 40 -30.480 -12.828 -8.520 302 2HB ASP 40 1HB ASP 40 -31.081 -12.221 -10.059 303 H GLU 41 H GLU 41 -32.659 -14.463 -7.851 304 HA GLU 41 HA GLU 41 -32.245 -15.719 -6.015 305 1HB GLU 41 2HB GLU 41 -31.112 -14.923 -4.242 306 2HB GLU 41 1HB GLU 41 -31.007 -13.440 -5.166 307 1HG GLU 41 2HG GLU 41 -33.021 -12.609 -3.989 308 2HG GLU 41 1HG GLU 41 -33.035 -14.092 -3.038 309 H LYS 42 H LYS 42 -34.330 -12.927 -5.211 310 HA LYS 42 HA LYS 42 -36.542 -14.787 -4.829 311 1HB LYS 42 2HB LYS 42 -35.295 -14.549 -2.641 312 2HB LYS 42 1HB LYS 42 -35.809 -12.870 -2.623 313 1HG LYS 42 2HG LYS 42 -37.817 -13.418 -1.806 314 2HG LYS 42 1HG LYS 42 -38.074 -14.601 -3.088 315 1HD LYS 42 2HD LYS 42 -36.343 -15.188 -0.701 316 2HD LYS 42 1HD LYS 42 -38.089 -15.455 -0.683 317 1HE LYS 42 2HE LYS 42 -37.917 -16.986 -2.537 318 2HE LYS 42 1HE LYS 42 -36.198 -16.640 -2.710 319 1HZ LYS 42 1HZ LYS 42 -37.425 -17.865 -0.301 320 2HZ LYS 42 3HZ LYS 42 -36.660 -18.736 -1.535 321 3HZ LYS 42 2HZ LYS 42 -35.773 -17.646 -0.595 322 H ARG 43 H ARG 43 -35.958 -12.590 -6.712 323 HA ARG 43 HA ARG 43 -36.998 -10.802 -7.666 324 1HB ARG 43 2HB ARG 43 -39.338 -11.923 -6.109 325 2HB ARG 43 1HB ARG 43 -39.470 -10.685 -7.350 326 1HG ARG 43 2HG ARG 43 -40.033 -12.642 -8.456 327 2HG ARG 43 1HG ARG 43 -38.343 -12.388 -8.897 328 1HD ARG 43 2HD ARG 43 -38.950 -14.743 -8.255 329 2HD ARG 43 1HD ARG 43 -37.603 -14.038 -7.364 330 HE ARG 43 HE ARG 43 -38.819 -14.282 -5.455 331 1HH1 ARG 43 1HH2 ARG 43 -41.008 -14.311 -8.163 332 2HH1 ARG 43 2HH2 ARG 43 -42.402 -14.665 -7.197 333 1HH2 ARG 43 2HH1 ARG 43 -40.647 -14.745 -4.176 334 2HH2 ARG 43 1HH1 ARG 43 -42.197 -14.910 -4.930 335 H ASN 44 H ASN 44 -35.877 -10.687 -4.826 336 HA ASN 44 HA ASN 44 -37.354 -8.397 -3.764 337 1HB ASN 44 2HB ASN 44 -35.140 -10.115 -2.642 338 2HB ASN 44 1HB ASN 44 -35.695 -8.645 -1.849 339 1HD2 ASN 44 2HD2 ASN 44 -37.776 -10.819 -0.073 340 2HD2 ASN 44 1HD2 ASN 44 -36.323 -9.885 -0.052 341 H LEU 45 H LEU 45 -36.716 -6.379 -4.108 342 HA LEU 45 HA LEU 45 -34.222 -5.880 -5.502 343 1HB LEU 45 2HB LEU 45 -36.406 -4.774 -6.095 344 2HB LEU 45 1HB LEU 45 -36.295 -3.891 -4.583 345 HG LEU 45 HG LEU 45 -33.934 -3.181 -5.580 346 1HD1 LEU 45 3HD1 LEU 45 -34.593 -4.705 -7.622 347 2HD1 LEU 45 2HD1 LEU 45 -35.461 -3.255 -8.130 348 3HD1 LEU 45 1HD1 LEU 45 -33.721 -3.189 -7.855 349 1HD2 LEU 45 1HD2 LEU 45 -36.658 -2.050 -6.056 350 2HD2 LEU 45 3HD2 LEU 45 -35.357 -1.448 -5.029 351 3HD2 LEU 45 2HD2 LEU 45 -35.251 -1.273 -6.781 352 H GLN 46 H GLN 46 -32.398 -5.694 -4.326 353 HA GLN 46 HA GLN 46 -32.480 -4.012 -1.926 354 1HB GLN 46 2HB GLN 46 -31.405 -6.828 -2.016 355 2HB GLN 46 1HB GLN 46 -31.050 -5.690 -0.724 356 1HG GLN 46 2HG GLN 46 -33.547 -5.496 -0.388 357 2HG GLN 46 1HG GLN 46 -33.700 -6.885 -1.463 358 1HE2 GLN 46 2HE2 GLN 46 -33.696 -8.636 1.597 359 2HE2 GLN 46 1HE2 GLN 46 -34.694 -7.911 0.387 360 H CYS 47 H CYS 47 -30.385 -3.387 -1.132 361 HA CYS 47 HA CYS 47 -28.666 -2.518 -3.244 362 1HB CYS 47 2HB CYS 47 -28.453 -2.276 -0.243 363 2HB CYS 47 1HB CYS 47 -27.387 -1.465 -1.376 364 H ILE 48 H ILE 48 -27.561 -4.220 -4.175 365 HA ILE 48 HA ILE 48 -26.058 -6.051 -2.483 366 HB ILE 48 HB ILE 48 -26.165 -5.983 -5.497 367 1HG1 ILE 48 2HG1 ILE 48 -27.995 -7.169 -3.452 368 2HG1 ILE 48 1HG1 ILE 48 -28.381 -6.423 -4.999 369 1HG2 ILE 48 2HG2 ILE 48 -24.252 -7.184 -4.455 370 2HG2 ILE 48 1HG2 ILE 48 -25.409 -8.228 -3.630 371 3HG2 ILE 48 3HG2 ILE 48 -25.317 -8.232 -5.391 372 1HD1 ILE 48 2HD1 ILE 48 -27.393 -8.452 -6.101 373 2HD1 ILE 48 1HD1 ILE 48 -27.323 -9.188 -4.499 374 3HD1 ILE 48 3HD1 ILE 48 -28.878 -8.723 -5.189 375 H CYS 49 H CYS 49 -24.074 -5.558 -1.822 376 HA CYS 49 HA CYS 49 -22.495 -3.572 -3.289 377 1HB CYS 49 2HB CYS 49 -21.913 -4.906 -0.633 378 2HB CYS 49 1HB CYS 49 -21.043 -3.545 -1.326 379 H ASP 50 H ASP 50 -21.305 -4.347 -4.882 380 HA ASP 50 HA ASP 50 -20.242 -7.055 -4.751 381 1HB ASP 50 2HB ASP 50 -21.349 -5.627 -6.809 382 2HB ASP 50 1HB ASP 50 -19.631 -5.465 -7.155 383 H TYR 51 H TYR 51 -18.086 -7.520 -5.446 384 HA TYR 51 HA TYR 51 -16.126 -5.448 -4.728 385 1HB TYR 51 2HB TYR 51 -16.211 -8.339 -3.879 386 2HB TYR 51 1HB TYR 51 -14.772 -7.339 -3.724 387 HD1 TYR 51 HD2 TYR 51 -18.201 -7.890 -2.500 388 HD2 TYR 51 HD1 TYR 51 -14.609 -5.669 -1.996 389 HE1 TYR 51 HE2 TYR 51 -19.010 -7.094 -0.317 390 HE2 TYR 51 HE1 TYR 51 -15.406 -4.867 0.189 391 HH TYR 51 HH TYR 51 -16.984 -5.063 1.760 392 H CYS 52 H CYS 52 -17.026 -8.189 -6.664 393 HA CYS 52 HA CYS 52 -14.505 -8.101 -8.159 394 1HB CYS 52 2HB CYS 52 -16.784 -10.073 -8.068 395 2HB CYS 52 1HB CYS 52 -15.565 -10.126 -9.334 396 H GLU 53 H GLU 53 -17.435 -6.623 -8.203 397 HA GLU 53 HA GLU 53 -18.431 -5.238 -9.706 398 1HB GLU 53 2HB GLU 53 -16.451 -6.108 -11.806 399 2HB GLU 53 1HB GLU 53 -17.379 -4.620 -11.740 400 1HG GLU 53 2HG GLU 53 -15.971 -3.637 -10.247 401 2HG GLU 53 1HG GLU 53 -15.498 -5.167 -9.513 402 H TYR 54 HN TYR 54 -17.337 -7.568 -12.143 403 HA TYR 54 HA TYR 54 -20.128 -8.124 -12.758 404 1HB TYR 54 2HB TYR 54 -17.543 -8.431 -14.196 405 2HB TYR 54 1HB TYR 54 -18.844 -9.541 -14.625 406 HD1 TYR 54 HD2 TYR 54 -19.273 -6.046 -13.523 407 HD2 TYR 54 HD1 TYR 54 -19.333 -8.743 -16.809 408 HE1 TYR 54 HE2 TYR 54 -20.298 -4.310 -14.916 409 HE2 TYR 54 HE1 TYR 54 -20.359 -7.008 -18.221 410 HH TYR 54 HH TYR 54 -21.848 -4.849 -17.692 No H/Q in entry = 410 Start of MODEL 12 1 HN PCA 1 HN PCA 1 -21.716 -13.484 -8.543 2 HA PCA 1 HA PCA 1 -21.157 -15.857 -9.209 3 1HB PCA 1 1HB PCA 1 -20.515 -16.046 -11.372 4 2HB PCA 1 2HB PCA 1 -18.935 -15.357 -10.931 5 1HG PCA 1 1HG PCA 1 -21.020 -14.100 -12.436 6 2HG PCA 1 2HG PCA 1 -19.527 -13.348 -11.845 7 H ASP 2 H ASP 2 -19.259 -17.035 -8.473 8 HA ASP 2 HA ASP 2 -17.651 -17.379 -6.893 9 1HB ASP 2 2HB ASP 2 -16.650 -15.189 -8.633 10 2HB ASP 2 1HB ASP 2 -15.774 -15.451 -7.129 11 H LYS 3 H LYS 3 -16.127 -15.864 -5.279 12 HA LYS 3 HA LYS 3 -18.122 -14.520 -3.609 13 1HB LYS 3 2HB LYS 3 -15.822 -16.206 -3.101 14 2HB LYS 3 1HB LYS 3 -15.696 -14.710 -2.186 15 1HG LYS 3 2HG LYS 3 -18.100 -16.521 -2.157 16 2HG LYS 3 1HG LYS 3 -16.799 -16.559 -0.965 17 1HD LYS 3 2HD LYS 3 -17.379 -13.961 -0.832 18 2HD LYS 3 1HD LYS 3 -18.951 -14.550 -1.375 19 1HE LYS 3 2HE LYS 3 -18.704 -16.276 0.529 20 2HE LYS 3 1HE LYS 3 -17.461 -15.188 1.146 21 1HZ LYS 3 2HZ LYS 3 -19.954 -13.907 0.426 22 2HZ LYS 3 1HZ LYS 3 -20.067 -14.985 1.724 23 3HZ LYS 3 3HZ LYS 3 -18.979 -13.690 1.792 24 H CYS 4 H CYS 4 -18.166 -12.392 -3.403 25 HA CYS 4 HA CYS 4 -16.127 -10.628 -3.039 26 1HB CYS 4 2HB CYS 4 -16.334 -11.469 -5.847 27 2HB CYS 4 1HB CYS 4 -16.322 -9.723 -5.631 28 H LYS 5 H LYS 5 -19.092 -11.186 -2.783 29 HA LYS 5 HA LYS 5 -19.935 -8.410 -3.069 30 1HB LYS 5 2HB LYS 5 -21.667 -8.762 -4.501 31 2HB LYS 5 1HB LYS 5 -20.657 -10.095 -5.034 32 1HG LYS 5 2HG LYS 5 -22.977 -10.246 -3.120 33 2HG LYS 5 1HG LYS 5 -22.933 -10.834 -4.780 34 1HD LYS 5 2HD LYS 5 -20.776 -11.925 -3.124 35 2HD LYS 5 1HD LYS 5 -22.380 -12.333 -2.522 36 1HE LYS 5 2HE LYS 5 -22.959 -13.136 -4.810 37 2HE LYS 5 1HE LYS 5 -21.280 -12.869 -5.276 38 1HZ LYS 5 1HZ LYS 5 -22.111 -14.645 -3.050 39 2HZ LYS 5 3HZ LYS 5 -21.808 -15.189 -4.623 40 3HZ LYS 5 2HZ LYS 5 -20.562 -14.496 -3.713 41 H LYS 6 H LYS 6 -21.754 -7.850 -1.738 42 HA LYS 6 HA LYS 6 -22.686 -9.840 0.155 43 1HB LYS 6 2HB LYS 6 -20.459 -8.319 0.788 44 2HB LYS 6 1HB LYS 6 -21.765 -7.460 1.588 45 1HG LYS 6 2HG LYS 6 -22.381 -9.909 2.399 46 2HG LYS 6 1HG LYS 6 -20.660 -10.164 2.103 47 1HD LYS 6 2HD LYS 6 -20.085 -8.375 3.612 48 2HD LYS 6 1HD LYS 6 -21.786 -7.951 3.816 49 1HE LYS 6 2HE LYS 6 -22.239 -9.891 5.044 50 2HE LYS 6 1HE LYS 6 -20.758 -10.684 4.506 51 1HZ LYS 6 2HZ LYS 6 -19.622 -8.744 5.746 52 2HZ LYS 6 1HZ LYS 6 -21.104 -8.589 6.545 53 3HZ LYS 6 3HZ LYS 6 -20.240 -10.041 6.640 54 H VAL 7 H VAL 7 -24.808 -9.550 0.387 55 HA VAL 7 HA VAL 7 -26.176 -7.301 -0.614 56 HB VAL 7 HB VAL 7 -28.154 -8.325 0.004 57 1HG1 VAL 7 3HG1 VAL 7 -26.501 -9.804 -1.319 58 2HG1 VAL 7 2HG1 VAL 7 -26.443 -10.770 0.153 59 3HG1 VAL 7 1HG1 VAL 7 -27.978 -10.526 -0.681 60 1HG2 VAL 7 2HG2 VAL 7 -26.665 -9.463 2.354 61 2HG2 VAL 7 1HG2 VAL 7 -28.037 -8.354 2.354 62 3HG2 VAL 7 3HG2 VAL 7 -28.263 -10.035 1.874 63 H TYR 8 H TYR 8 -26.241 -5.334 0.224 64 HA TYR 8 HA TYR 8 -25.258 -4.601 2.708 65 1HB TYR 8 2HB TYR 8 -25.614 -3.064 0.794 66 2HB TYR 8 1HB TYR 8 -27.341 -3.135 1.081 67 HD1 TYR 8 HD2 TYR 8 -25.876 -3.143 4.279 68 HD2 TYR 8 HD1 TYR 8 -26.608 -0.558 0.968 69 HE1 TYR 8 HE2 TYR 8 -25.712 -1.206 5.759 70 HE2 TYR 8 HE1 TYR 8 -26.436 1.389 2.456 71 HH TYR 8 HH TYR 8 -26.378 2.058 4.610 72 H GLU 9 H GLU 9 -26.239 -6.250 4.053 73 HA GLU 9 HA GLU 9 -28.187 -7.199 5.105 74 1HB GLU 9 2HB GLU 9 -27.133 -4.763 6.529 75 2HB GLU 9 1HB GLU 9 -28.208 -5.933 7.282 76 1HG GLU 9 2HG GLU 9 -26.479 -7.687 6.674 77 2HG GLU 9 1HG GLU 9 -25.399 -6.341 6.313 78 H ASN 10 H ASN 10 -30.279 -7.228 4.781 79 HA ASN 10 HA ASN 10 -32.257 -6.294 3.831 80 1HB ASN 10 2HB ASN 10 -32.101 -5.728 6.791 81 2HB ASN 10 1HB ASN 10 -33.592 -5.638 5.858 82 1HD2 ASN 10 2HD2 ASN 10 -34.017 -8.928 6.987 83 2HD2 ASN 10 1HD2 ASN 10 -34.435 -7.269 7.230 84 H TYR 11 H TYR 11 -30.604 -4.427 2.887 85 HA TYR 11 HA TYR 11 -30.726 -1.836 3.875 86 1HB TYR 11 2HB TYR 11 -29.320 -2.478 1.979 87 2HB TYR 11 1HB TYR 11 -30.750 -2.740 0.989 88 HD1 TYR 11 HD1 TYR 11 -28.770 -0.174 2.752 89 HD2 TYR 11 HD2 TYR 11 -31.782 -0.927 -0.149 90 HE1 TYR 11 HE1 TYR 11 -28.641 2.170 2.025 91 HE2 TYR 11 HE2 TYR 11 -31.670 1.420 -0.882 92 HH TYR 11 HH TYR 11 -29.245 3.394 -0.343 93 HA PRO 12 HA PRO 12 -35.044 -0.630 3.792 94 1HB PRO 12 2HB PRO 12 -33.875 1.778 2.438 95 2HB PRO 12 1HB PRO 12 -35.095 1.697 3.714 96 1HG PRO 12 2HG PRO 12 -32.563 2.291 4.294 97 2HG PRO 12 1HG PRO 12 -33.530 1.265 5.369 98 1HD PRO 12 2HD PRO 12 -31.306 0.528 3.561 99 2HD PRO 12 1HD PRO 12 -31.864 -0.264 5.044 100 H VAL 13 H VAL 13 -35.431 -2.290 2.178 101 HA VAL 13 HA VAL 13 -34.999 -2.034 -0.544 102 HB VAL 13 HB VAL 13 -37.488 -3.437 -0.108 103 1HG1 VAL 13 3HG1 VAL 13 -34.676 -4.273 -0.778 104 2HG1 VAL 13 2HG1 VAL 13 -36.031 -5.394 -0.727 105 3HG1 VAL 13 1HG1 VAL 13 -36.036 -4.059 -1.880 106 1HG2 VAL 13 1HG2 VAL 13 -35.273 -4.106 1.828 107 2HG2 VAL 13 3HG2 VAL 13 -36.876 -3.498 2.238 108 3HG2 VAL 13 2HG2 VAL 13 -36.697 -5.099 1.522 109 H SER 14 H SER 14 -35.541 -0.363 -1.690 110 HA SER 14 HA SER 14 -38.199 0.211 -2.387 111 1HB SER 14 2HB SER 14 -38.508 2.415 -1.421 112 2HB SER 14 1HB SER 14 -38.196 1.267 -0.118 113 HG SER 14 HG SER 14 -36.024 1.989 -0.115 114 H LYS 15 H LYS 15 -35.798 2.722 -1.896 115 HA LYS 15 HA LYS 15 -35.742 3.379 -4.666 116 1HB LYS 15 2HB LYS 15 -33.703 4.263 -2.629 117 2HB LYS 15 1HB LYS 15 -34.228 5.103 -4.082 118 1HG LYS 15 2HG LYS 15 -36.574 4.877 -2.697 119 2HG LYS 15 1HG LYS 15 -35.405 5.079 -1.393 120 1HD LYS 15 2HD LYS 15 -35.910 7.271 -1.854 121 2HD LYS 15 1HD LYS 15 -34.524 7.031 -2.919 122 1HE LYS 15 2HE LYS 15 -37.360 7.475 -3.579 123 2HE LYS 15 1HE LYS 15 -35.908 7.879 -4.495 124 1HZ LYS 15 1HZ LYS 15 -35.896 5.218 -4.660 125 2HZ LYS 15 3HZ LYS 15 -37.562 5.502 -4.598 126 3HZ LYS 15 2HZ LYS 15 -36.626 6.223 -5.808 127 H CYS 16 H CYS 16 -33.772 3.373 -6.018 128 HA CYS 16 HA CYS 16 -31.539 1.750 -5.343 129 1HB CYS 16 2HB CYS 16 -33.803 0.507 -6.862 130 2HB CYS 16 1HB CYS 16 -32.153 0.026 -7.218 131 H GLN 17 H GLN 17 -33.237 1.833 -8.445 132 HA GLN 17 HA GLN 17 -32.710 2.713 -10.468 133 1HB GLN 17 2HB GLN 17 -31.196 4.736 -8.810 134 2HB GLN 17 1HB GLN 17 -31.531 4.886 -10.528 135 1HG GLN 17 2HG GLN 17 -33.183 6.171 -9.570 136 2HG GLN 17 1HG GLN 17 -33.996 4.632 -9.850 137 1HE2 GLN 17 2HE2 GLN 17 -32.828 5.293 -5.987 138 2HE2 GLN 17 1HE2 GLN 17 -31.734 5.561 -7.297 139 H LEU 18 H LEU 18 -30.798 0.935 -8.808 140 HA LEU 18 HA LEU 18 -28.585 0.201 -8.900 141 1HB LEU 18 2HB LEU 18 -29.586 -0.051 -11.733 142 2HB LEU 18 1HB LEU 18 -28.213 -0.911 -11.069 143 HG LEU 18 HG LEU 18 -29.770 -1.990 -9.424 144 1HD1 LEU 18 1HD1 LEU 18 -31.772 -0.482 -11.069 145 2HD1 LEU 18 3HD1 LEU 18 -32.202 -1.958 -10.210 146 3HD1 LEU 18 2HD1 LEU 18 -31.613 -0.559 -9.318 147 1HD2 LEU 18 1HD2 LEU 18 -29.031 -3.130 -11.456 148 2HD2 LEU 18 3HD2 LEU 18 -30.687 -3.569 -11.038 149 3HD2 LEU 18 2HD2 LEU 18 -30.381 -2.425 -12.346 150 H ALA 19 H ALA 19 -28.089 2.703 -8.706 151 HA ALA 19 HA ALA 19 -25.705 3.178 -10.018 152 1HB ALA 19 2HB ALA 19 -28.102 4.188 -11.470 153 2HB ALA 19 1HB ALA 19 -26.625 5.154 -11.485 154 3HB ALA 19 3HB ALA 19 -26.606 3.503 -12.105 155 H ASN 20 H ASN 20 -26.936 3.485 -7.482 156 HA ASN 20 HA ASN 20 -25.845 5.947 -6.680 157 1HB ASN 20 2HB ASN 20 -27.938 6.796 -7.769 158 2HB ASN 20 1HB ASN 20 -28.871 5.867 -6.600 159 1HD2 ASN 20 2HD2 ASN 20 -26.623 8.458 -4.525 160 2HD2 ASN 20 1HD2 ASN 20 -25.969 7.098 -5.365 161 H GLN 21 H GLN 21 -28.577 5.627 -4.876 162 HA GLN 21 HA GLN 21 -28.160 5.192 -2.486 163 1HB GLN 21 2HB GLN 21 -29.875 3.558 -4.202 164 2HB GLN 21 1HB GLN 21 -29.468 2.754 -2.692 165 1HG GLN 21 2HG GLN 21 -31.463 3.898 -2.272 166 2HG GLN 21 1HG GLN 21 -30.203 4.874 -1.521 167 1HE2 GLN 21 2HE2 GLN 21 -30.381 7.231 -4.375 168 2HE2 GLN 21 1HE2 GLN 21 -29.183 6.162 -3.739 169 H CYS 22 H CYS 22 -27.986 1.946 -3.858 170 HA CYS 22 HA CYS 22 -26.232 0.972 -1.922 171 1HB CYS 22 2HB CYS 22 -26.158 -0.320 -4.595 172 2HB CYS 22 1HB CYS 22 -26.397 -1.033 -3.005 173 H ASN 23 H ASN 23 -25.534 1.954 -5.278 174 HA ASN 23 HA ASN 23 -22.830 1.419 -5.331 175 1HB ASN 23 2HB ASN 23 -24.387 2.340 -7.195 176 2HB ASN 23 1HB ASN 23 -23.932 3.926 -6.579 177 1HD2 ASN 23 2HD2 ASN 23 -20.452 3.448 -7.480 178 2HD2 ASN 23 1HD2 ASN 23 -21.391 3.909 -6.105 179 H TYR 24 H TYR 24 -24.126 4.696 -4.824 180 HA TYR 24 HA TYR 24 -21.807 5.857 -3.869 181 1HB TYR 24 2HB TYR 24 -23.310 7.519 -4.225 182 2HB TYR 24 1HB TYR 24 -24.680 6.491 -3.828 183 HD1 TYR 24 HD2 TYR 24 -21.827 8.199 -2.113 184 HD2 TYR 24 HD1 TYR 24 -25.913 7.027 -1.958 185 HE1 TYR 24 HE2 TYR 24 -22.075 9.367 0.035 186 HE2 TYR 24 HE1 TYR 24 -26.173 8.192 0.190 187 HH TYR 24 HH TYR 24 -24.485 10.427 1.290 188 H ASP 25 H ASP 25 -24.407 4.305 -1.998 189 HA ASP 25 HA ASP 25 -23.399 4.800 0.549 190 1HB ASP 25 2HB ASP 25 -25.075 2.517 -0.495 191 2HB ASP 25 1HB ASP 25 -24.695 2.724 1.212 192 H CYS 26 H CYS 26 -23.144 1.639 -1.108 193 HA CYS 26 HA CYS 26 -21.309 0.522 0.612 194 1HB CYS 26 2HB CYS 26 -21.121 0.040 -2.354 195 2HB CYS 26 1HB CYS 26 -20.851 -1.095 -1.039 196 H LYS 27 H LYS 27 -20.727 2.636 -2.159 197 HA LYS 27 HA LYS 27 -17.944 2.459 -2.233 198 1HB LYS 27 2HB LYS 27 -19.542 3.588 -3.896 199 2HB LYS 27 1HB LYS 27 -19.440 4.996 -2.850 200 1HG LYS 27 2HG LYS 27 -17.261 5.426 -3.401 201 2HG LYS 27 1HG LYS 27 -16.909 3.744 -3.789 202 1HD LYS 27 2HD LYS 27 -16.903 4.939 -5.840 203 2HD LYS 27 1HD LYS 27 -18.402 4.011 -5.803 204 1HE LYS 27 2HE LYS 27 -19.058 6.125 -6.554 205 2HE LYS 27 1HE LYS 27 -19.468 6.132 -4.839 206 1HZ LYS 27 1HZ LYS 27 -16.888 7.054 -4.956 207 2HZ LYS 27 3HZ LYS 27 -17.656 7.804 -6.265 208 3HZ LYS 27 2HZ LYS 27 -18.278 7.986 -4.703 209 H LEU 28 H LEU 28 -19.579 3.254 0.441 210 HA LEU 28 HA LEU 28 -17.311 4.583 1.602 211 1HB LEU 28 2HB LEU 28 -18.397 6.478 0.516 212 2HB LEU 28 1HB LEU 28 -19.903 6.104 1.327 213 HG LEU 28 HG LEU 28 -18.598 8.024 2.295 214 1HD1 LEU 28 1HD1 LEU 28 -20.189 6.234 3.554 215 2HD1 LEU 28 3HD1 LEU 28 -18.716 6.087 4.511 216 3HD1 LEU 28 2HD1 LEU 28 -19.493 7.657 4.324 217 1HD2 LEU 28 3HD2 LEU 28 -16.390 6.769 1.966 218 2HD2 LEU 28 2HD2 LEU 28 -16.598 7.701 3.449 219 3HD2 LEU 28 1HD2 LEU 28 -16.789 5.947 3.476 220 H ASP 29 H ASP 29 -20.721 3.701 1.972 221 HA ASP 29 HA ASP 29 -20.709 3.707 4.803 222 1HB ASP 29 2HB ASP 29 -22.520 2.481 2.736 223 2HB ASP 29 1HB ASP 29 -22.779 2.209 4.457 224 H LYS 30 H LYS 30 -20.550 1.018 2.462 225 HA LYS 30 HA LYS 30 -19.652 -0.758 4.620 226 1HB LYS 30 2HB LYS 30 -20.673 -1.311 1.834 227 2HB LYS 30 1HB LYS 30 -20.019 -2.558 2.885 228 1HG LYS 30 2HG LYS 30 -21.790 -1.695 4.577 229 2HG LYS 30 1HG LYS 30 -22.552 -1.003 3.143 230 1HD LYS 30 2HD LYS 30 -23.574 -3.056 3.205 231 2HD LYS 30 1HD LYS 30 -22.184 -3.425 2.183 232 1HE LYS 30 2HE LYS 30 -21.073 -3.951 4.534 233 2HE LYS 30 1HE LYS 30 -22.754 -4.224 4.988 234 1HZ LYS 30 2HZ LYS 30 -21.769 -5.466 2.527 235 2HZ LYS 30 1HZ LYS 30 -21.282 -6.136 4.001 236 3HZ LYS 30 3HZ LYS 30 -22.928 -6.022 3.625 237 H HIS 31 H HIS 31 -18.057 1.343 3.072 238 HA HIS 31 HA HIS 31 -16.048 1.558 1.990 239 1HB HIS 31 2HB HIS 31 -14.606 -0.532 3.324 240 2HB HIS 31 1HB HIS 31 -14.615 1.191 3.684 241 HD1 HIS 31 HD1 HIS 31 -15.786 -2.063 4.927 242 HD2 HIS 31 HD2 HIS 31 -16.548 1.951 5.677 243 HE1 HIS 31 HE1 HIS 31 -17.009 -2.012 7.122 244 HE2 HIS 31 HE2 HIS 31 -17.365 0.435 7.608 245 H ALA 32 H ALA 32 -17.843 -0.145 0.566 246 HA ALA 32 HA ALA 32 -16.272 -2.392 -0.381 247 1HB ALA 32 2HB ALA 32 -18.903 -2.152 -0.124 248 2HB ALA 32 1HB ALA 32 -18.757 -1.567 -1.782 249 3HB ALA 32 3HB ALA 32 -18.174 -3.178 -1.360 250 H ARG 33 H ARG 33 -16.729 -2.530 -3.022 251 HA ARG 33 HA ARG 33 -15.066 -0.368 -4.056 252 1HB ARG 33 2HB ARG 33 -15.017 -3.112 -4.394 253 2HB ARG 33 1HB ARG 33 -15.734 -2.553 -5.896 254 1HG ARG 33 2HG ARG 33 -13.417 -2.672 -6.267 255 2HG ARG 33 1HG ARG 33 -13.802 -0.961 -6.099 256 1HD ARG 33 2HD ARG 33 -13.131 -2.172 -3.539 257 2HD ARG 33 1HD ARG 33 -11.830 -2.350 -4.714 258 HE ARG 33 HE ARG 33 -12.259 0.197 -5.010 259 1HH1 ARG 33 1HH2 ARG 33 -12.374 -1.618 -2.042 260 2HH1 ARG 33 2HH2 ARG 33 -11.906 -0.278 -1.050 261 1HH2 ARG 33 2HH1 ARG 33 -11.637 1.972 -3.715 262 2HH2 ARG 33 1HH1 ARG 33 -11.484 1.762 -2.002 263 H SER 34 H SER 34 -18.066 -2.092 -4.849 264 HA SER 34 HA SER 34 -19.317 0.296 -5.810 265 1HB SER 34 2HB SER 34 -19.752 -1.002 -8.113 266 2HB SER 34 1HB SER 34 -18.381 0.084 -7.897 267 HG SER 34 HG SER 34 -17.078 -1.556 -8.044 268 H GLY 35 H GLY 35 -21.564 0.055 -5.984 269 1HA GLY 35 2HA GLY 35 -22.575 -2.584 -5.095 270 2HA GLY 35 1HA GLY 35 -23.286 -1.048 -4.632 271 H GLU 36 H GLU 36 -25.051 -2.696 -5.488 272 HA GLU 36 HA GLU 36 -26.194 -1.518 -7.774 273 1HB GLU 36 2HB GLU 36 -24.692 -4.079 -8.165 274 2HB GLU 36 1HB GLU 36 -26.212 -3.880 -9.020 275 1HG GLU 36 2HG GLU 36 -25.015 -1.548 -9.661 276 2HG GLU 36 1HG GLU 36 -23.602 -2.581 -9.465 277 H CYS 37 H CYS 37 -28.365 -1.974 -7.862 278 HA CYS 37 HA CYS 37 -29.404 -3.607 -5.692 279 1HB CYS 37 2HB CYS 37 -30.366 -1.358 -7.303 280 2HB CYS 37 1HB CYS 37 -31.604 -2.577 -7.017 281 H PHE 38 H PHE 38 -30.782 -5.362 -5.937 282 HA PHE 38 HA PHE 38 -31.325 -6.343 -8.641 283 1HB PHE 38 2HB PHE 38 -29.538 -7.657 -6.644 284 2HB PHE 38 1HB PHE 38 -30.583 -8.690 -7.613 285 HD1 PHE 38 HD2 PHE 38 -30.444 -8.479 -10.143 286 HD2 PHE 38 HD1 PHE 38 -27.532 -6.855 -7.498 287 HE1 PHE 38 HE2 PHE 38 -28.821 -8.392 -11.990 288 HE2 PHE 38 HE1 PHE 38 -25.904 -6.764 -9.340 289 HZ PHE 38 HZ PHE 38 -26.546 -7.534 -11.590 290 H TYR 39 H TYR 39 -33.147 -7.577 -8.809 291 HA TYR 39 HA TYR 39 -35.045 -7.368 -6.691 292 1HB TYR 39 2HB TYR 39 -35.093 -8.701 -9.391 293 2HB TYR 39 1HB TYR 39 -36.446 -8.818 -8.270 294 HD1 TYR 39 HD1 TYR 39 -37.563 -6.676 -7.511 295 HD2 TYR 39 HD2 TYR 39 -34.819 -6.814 -10.758 296 HE1 TYR 39 HE1 TYR 39 -38.451 -4.538 -8.344 297 HE2 TYR 39 HE2 TYR 39 -35.697 -4.676 -11.603 298 HH TYR 39 HH TYR 39 -37.757 -3.337 -11.439 299 H ASP 40 H ASP 40 -36.463 -9.557 -6.440 300 HA ASP 40 HA ASP 40 -35.463 -12.069 -6.341 301 1HB ASP 40 2HB ASP 40 -34.659 -12.054 -3.824 302 2HB ASP 40 1HB ASP 40 -33.538 -11.694 -5.131 303 H GLU 41 H GLU 41 -36.097 -13.160 -4.052 304 HA GLU 41 HA GLU 41 -38.080 -14.115 -3.369 305 1HB GLU 41 2HB GLU 41 -38.937 -12.363 -1.501 306 2HB GLU 41 1HB GLU 41 -37.506 -13.365 -1.306 307 1HG GLU 41 2HG GLU 41 -36.057 -11.601 -1.816 308 2HG GLU 41 1HG GLU 41 -37.353 -10.619 -2.498 309 H LYS 42 H LYS 42 -39.166 -10.751 -3.097 310 HA LYS 42 HA LYS 42 -41.336 -11.345 -5.001 311 1HB LYS 42 2HB LYS 42 -41.619 -10.167 -2.236 312 2HB LYS 42 1HB LYS 42 -42.884 -10.094 -3.455 313 1HG LYS 42 2HG LYS 42 -41.720 -12.741 -2.741 314 2HG LYS 42 1HG LYS 42 -42.870 -11.979 -1.642 315 1HD LYS 42 2HD LYS 42 -44.616 -12.188 -3.102 316 2HD LYS 42 1HD LYS 42 -43.579 -12.090 -4.527 317 1HE LYS 42 2HE LYS 42 -42.860 -14.346 -4.248 318 2HE LYS 42 1HE LYS 42 -43.627 -14.456 -2.665 319 1HZ LYS 42 1HZ LYS 42 -45.718 -13.826 -4.173 320 2HZ LYS 42 3HZ LYS 42 -44.799 -14.674 -5.313 321 3HZ LYS 42 2HZ LYS 42 -45.248 -15.421 -3.864 322 H ARG 43 H ARG 43 -39.998 -10.061 -6.445 323 HA ARG 43 HA ARG 43 -39.314 -8.133 -7.458 324 1HB ARG 43 2HB ARG 43 -41.873 -8.117 -7.576 325 2HB ARG 43 1HB ARG 43 -41.811 -6.918 -6.291 326 1HG ARG 43 2HG ARG 43 -40.771 -5.336 -7.654 327 2HG ARG 43 1HG ARG 43 -40.280 -6.547 -8.839 328 1HD ARG 43 2HD ARG 43 -42.263 -4.992 -9.395 329 2HD ARG 43 1HD ARG 43 -42.412 -6.712 -9.742 330 HE ARG 43 HE ARG 43 -43.676 -6.868 -7.612 331 1HH1 ARG 43 1HH2 ARG 43 -43.479 -3.807 -9.291 332 2HH1 ARG 43 2HH2 ARG 43 -44.932 -3.190 -8.583 333 1HH2 ARG 43 2HH1 ARG 43 -45.582 -6.050 -6.689 334 2HH2 ARG 43 1HH1 ARG 43 -46.125 -4.460 -7.108 335 H ASN 44 H ASN 44 -38.440 -8.497 -4.669 336 HA ASN 44 HA ASN 44 -38.322 -5.756 -3.664 337 1HB ASN 44 2HB ASN 44 -36.973 -8.070 -2.323 338 2HB ASN 44 1HB ASN 44 -37.693 -6.634 -1.608 339 1HD2 ASN 44 2HD2 ASN 44 -40.795 -8.055 -1.111 340 2HD2 ASN 44 1HD2 ASN 44 -39.740 -6.701 -0.926 341 H LEU 45 H LEU 45 -36.678 -4.465 -4.119 342 HA LEU 45 HA LEU 45 -34.328 -5.541 -5.446 343 1HB LEU 45 2HB LEU 45 -35.257 -2.732 -4.895 344 2HB LEU 45 1HB LEU 45 -33.738 -3.108 -5.683 345 HG LEU 45 HG LEU 45 -36.260 -4.217 -6.841 346 1HD1 LEU 45 2HD1 LEU 45 -36.786 -1.872 -6.433 347 2HD1 LEU 45 1HD1 LEU 45 -35.299 -1.388 -7.248 348 3HD1 LEU 45 3HD1 LEU 45 -36.583 -2.187 -8.158 349 1HD2 LEU 45 3HD2 LEU 45 -33.578 -3.351 -7.903 350 2HD2 LEU 45 2HD2 LEU 45 -34.286 -4.966 -7.897 351 3HD2 LEU 45 1HD2 LEU 45 -34.947 -3.715 -8.947 352 H GLN 46 H GLN 46 -32.759 -6.300 -4.190 353 HA GLN 46 HA GLN 46 -32.194 -5.038 -1.615 354 1HB GLN 46 2HB GLN 46 -31.138 -7.565 -2.896 355 2HB GLN 46 1HB GLN 46 -30.613 -6.965 -1.327 356 1HG GLN 46 2HG GLN 46 -33.167 -7.013 -0.786 357 2HG GLN 46 1HG GLN 46 -33.225 -8.152 -2.129 358 1HE2 GLN 46 2HE2 GLN 46 -31.666 -10.768 -0.409 359 2HE2 GLN 46 1HE2 GLN 46 -32.144 -10.134 -1.943 360 H CYS 47 H CYS 47 -30.396 -3.867 -1.184 361 HA CYS 47 HA CYS 47 -28.836 -2.904 -3.399 362 1HB CYS 47 2HB CYS 47 -29.143 -2.225 -0.530 363 2HB CYS 47 1HB CYS 47 -27.578 -1.852 -1.237 364 H ILE 48 H ILE 48 -27.452 -4.382 -4.227 365 HA ILE 48 HA ILE 48 -25.878 -6.067 -2.473 366 HB ILE 48 HB ILE 48 -25.730 -5.881 -5.478 367 1HG1 ILE 48 2HG1 ILE 48 -27.949 -6.510 -5.109 368 2HG1 ILE 48 1HG1 ILE 48 -27.123 -8.059 -5.246 369 1HG2 ILE 48 3HG2 ILE 48 -23.830 -6.962 -4.185 370 2HG2 ILE 48 2HG2 ILE 48 -24.992 -8.204 -3.718 371 3HG2 ILE 48 1HG2 ILE 48 -24.605 -7.953 -5.421 372 1HD1 ILE 48 1HD1 ILE 48 -27.007 -8.104 -2.747 373 2HD1 ILE 48 3HD1 ILE 48 -28.058 -6.689 -2.742 374 3HD1 ILE 48 2HD1 ILE 48 -28.630 -8.210 -3.428 375 H CYS 49 H CYS 49 -24.039 -5.402 -1.616 376 HA CYS 49 HA CYS 49 -22.549 -3.223 -2.881 377 1HB CYS 49 2HB CYS 49 -22.332 -4.545 -0.171 378 2HB CYS 49 1HB CYS 49 -21.193 -3.334 -0.743 379 H ASP 50 H ASP 50 -21.113 -3.822 -4.360 380 HA ASP 50 HA ASP 50 -19.868 -6.444 -4.242 381 1HB ASP 50 2HB ASP 50 -19.041 -4.524 -6.348 382 2HB ASP 50 1HB ASP 50 -19.485 -6.224 -6.478 383 H TYR 51 H TYR 51 -17.695 -6.844 -3.995 384 HA TYR 51 HA TYR 51 -16.115 -4.598 -2.916 385 1HB TYR 51 2HB TYR 51 -16.250 -7.512 -2.210 386 2HB TYR 51 1HB TYR 51 -14.823 -6.559 -1.810 387 HD1 TYR 51 HD1 TYR 51 -18.389 -7.085 -1.115 388 HD2 TYR 51 HD2 TYR 51 -14.916 -4.842 -0.103 389 HE1 TYR 51 HE1 TYR 51 -19.514 -6.263 0.906 390 HE2 TYR 51 HE2 TYR 51 -16.031 -4.020 1.927 391 HH TYR 51 HH TYR 51 -18.180 -5.149 3.432 392 H CYS 52 H CYS 52 -16.360 -6.524 -5.607 393 HA CYS 52 HA CYS 52 -13.568 -5.985 -6.303 394 1HB CYS 52 2HB CYS 52 -14.857 -8.639 -6.944 395 2HB CYS 52 1HB CYS 52 -13.166 -8.187 -7.117 396 H GLU 53 H GLU 53 -14.877 -8.039 -8.508 397 HA GLU 53 HA GLU 53 -16.680 -6.526 -9.998 398 1HB GLU 53 2HB GLU 53 -15.217 -5.707 -11.819 399 2HB GLU 53 1HB GLU 53 -14.894 -4.903 -10.293 400 1HG GLU 53 2HG GLU 53 -13.279 -7.288 -11.045 401 2HG GLU 53 1HG GLU 53 -12.938 -5.737 -11.811 402 H TYR 54 HN TYR 54 -15.584 -9.296 -9.267 403 HA TYR 54 HA TYR 54 -15.641 -10.444 -11.987 404 1HB TYR 54 2HB TYR 54 -14.307 -11.525 -9.495 405 2HB TYR 54 1HB TYR 54 -14.365 -12.346 -11.054 406 HD1 TYR 54 HD1 TYR 54 -13.609 -10.614 -13.057 407 HD2 TYR 54 HD2 TYR 54 -12.286 -10.545 -9.016 408 HE1 TYR 54 HE1 TYR 54 -11.571 -9.437 -13.752 409 HE2 TYR 54 HE2 TYR 54 -10.240 -9.366 -9.699 410 HH TYR 54 HH TYR 54 -9.024 -8.634 -11.413 No H/Q in entry = 410 Start of MODEL 13 1 HN PCA 1 HN PCA 1 -21.639 -18.524 -9.163 2 HA PCA 1 HA PCA 1 -21.932 -16.075 -9.755 3 1HB PCA 1 1HB PCA 1 -23.007 -14.860 -8.177 4 2HB PCA 1 2HB PCA 1 -21.581 -14.979 -7.123 5 1HG PCA 1 1HG PCA 1 -24.088 -16.367 -6.867 6 2HG PCA 1 2HG PCA 1 -22.643 -16.553 -5.856 7 H ASP 2 H ASP 2 -20.278 -14.204 -8.795 8 HA ASP 2 HA ASP 2 -17.694 -15.286 -9.336 9 1HB ASP 2 2HB ASP 2 -18.608 -12.533 -8.483 10 2HB ASP 2 1HB ASP 2 -16.929 -12.925 -8.840 11 H LYS 3 H LYS 3 -17.732 -12.925 -6.855 12 HA LYS 3 HA LYS 3 -17.871 -14.135 -4.475 13 1HB LYS 3 2HB LYS 3 -16.436 -15.922 -4.886 14 2HB LYS 3 1HB LYS 3 -15.338 -14.957 -5.857 15 1HG LYS 3 2HG LYS 3 -15.414 -14.053 -3.087 16 2HG LYS 3 1HG LYS 3 -14.994 -15.755 -3.209 17 1HD LYS 3 2HD LYS 3 -13.628 -13.760 -4.975 18 2HD LYS 3 1HD LYS 3 -13.122 -13.951 -3.296 19 1HE LYS 3 2HE LYS 3 -11.743 -15.374 -4.613 20 2HE LYS 3 1HE LYS 3 -12.878 -16.407 -3.746 21 1HZ LYS 3 3HZ LYS 3 -13.419 -15.492 -6.503 22 2HZ LYS 3 2HZ LYS 3 -12.497 -16.876 -6.199 23 3HZ LYS 3 1HZ LYS 3 -14.102 -16.799 -5.674 24 H CYS 4 H CYS 4 -18.376 -11.943 -4.185 25 HA CYS 4 HA CYS 4 -16.725 -10.383 -2.756 26 1HB CYS 4 2HB CYS 4 -16.020 -10.224 -5.624 27 2HB CYS 4 1HB CYS 4 -16.152 -8.672 -4.804 28 H LYS 5 H LYS 5 -19.494 -10.908 -3.140 29 HA LYS 5 HA LYS 5 -20.480 -8.163 -3.213 30 1HB LYS 5 2HB LYS 5 -22.138 -8.488 -4.823 31 2HB LYS 5 1HB LYS 5 -20.739 -9.296 -5.511 32 1HG LYS 5 2HG LYS 5 -23.042 -10.635 -4.100 33 2HG LYS 5 1HG LYS 5 -22.755 -10.605 -5.839 34 1HD LYS 5 2HD LYS 5 -20.728 -11.881 -5.581 35 2HD LYS 5 1HD LYS 5 -20.855 -11.801 -3.824 36 1HE LYS 5 2HE LYS 5 -23.071 -12.994 -5.437 37 2HE LYS 5 1HE LYS 5 -21.629 -13.942 -5.076 38 1HZ LYS 5 3HZ LYS 5 -22.218 -12.953 -2.668 39 2HZ LYS 5 2HZ LYS 5 -23.772 -13.098 -3.320 40 3HZ LYS 5 1HZ LYS 5 -22.766 -14.454 -3.227 41 H LYS 6 H LYS 6 -22.137 -7.758 -1.830 42 HA LYS 6 HA LYS 6 -23.671 -9.930 -0.674 43 1HB LYS 6 2HB LYS 6 -22.954 -9.767 1.520 44 2HB LYS 6 1HB LYS 6 -21.447 -9.571 0.637 45 1HG LYS 6 2HG LYS 6 -21.799 -7.076 0.845 46 2HG LYS 6 1HG LYS 6 -23.091 -7.454 1.988 47 1HD LYS 6 2HD LYS 6 -21.473 -8.712 3.359 48 2HD LYS 6 1HD LYS 6 -20.192 -8.258 2.234 49 1HE LYS 6 2HE LYS 6 -21.017 -5.829 2.737 50 2HE LYS 6 1HE LYS 6 -21.692 -6.571 4.187 51 1HZ LYS 6 2HZ LYS 6 -18.901 -7.146 3.528 52 2HZ LYS 6 1HZ LYS 6 -19.262 -5.613 4.141 53 3HZ LYS 6 3HZ LYS 6 -19.643 -6.995 5.041 54 H VAL 7 H VAL 7 -25.654 -9.288 0.087 55 HA VAL 7 HA VAL 7 -26.682 -6.871 -0.848 56 HB VAL 7 HB VAL 7 -28.730 -7.579 -0.200 57 1HG1 VAL 7 2HG1 VAL 7 -27.436 -9.462 -1.282 58 2HG1 VAL 7 1HG1 VAL 7 -27.314 -10.175 0.328 59 3HG1 VAL 7 3HG1 VAL 7 -28.898 -9.915 -0.404 60 1HG2 VAL 7 1HG2 VAL 7 -27.512 -8.654 2.340 61 2HG2 VAL 7 3HG2 VAL 7 -28.519 -7.217 2.162 62 3HG2 VAL 7 2HG2 VAL 7 -29.213 -8.815 1.901 63 H TYR 8 H TYR 8 -27.605 -5.094 0.264 64 HA TYR 8 HA TYR 8 -25.895 -4.184 2.424 65 1HB TYR 8 2HB TYR 8 -26.132 -2.645 0.623 66 2HB TYR 8 1HB TYR 8 -27.883 -2.802 0.633 67 HD1 TYR 8 HD2 TYR 8 -24.987 -1.353 2.370 68 HD2 TYR 8 HD1 TYR 8 -29.232 -1.555 2.174 69 HE1 TYR 8 HE2 TYR 8 -25.143 0.588 3.868 70 HE2 TYR 8 HE1 TYR 8 -29.394 0.393 3.659 71 HH TYR 8 HH TYR 8 -28.221 1.690 5.137 72 H GLU 9 H GLU 9 -28.962 -5.451 1.995 73 HA GLU 9 HA GLU 9 -30.943 -5.270 3.235 74 1HB GLU 9 2HB GLU 9 -30.502 -6.560 5.377 75 2HB GLU 9 1HB GLU 9 -30.010 -7.334 3.876 76 1HG GLU 9 2HG GLU 9 -27.792 -7.171 4.355 77 2HG GLU 9 1HG GLU 9 -27.988 -5.672 5.263 78 H ASN 10 H ASN 10 -31.903 -3.502 3.993 79 HA ASN 10 HA ASN 10 -31.826 -2.697 6.581 80 1HB ASN 10 2HB ASN 10 -29.702 -1.860 6.677 81 2HB ASN 10 1HB ASN 10 -29.699 -1.380 4.993 82 1HD2 ASN 10 2HD2 ASN 10 -30.971 1.152 7.904 83 2HD2 ASN 10 1HD2 ASN 10 -30.688 -0.523 8.218 84 H TYR 11 H TYR 11 -31.626 -0.554 3.669 85 HA TYR 11 HA TYR 11 -33.745 1.051 4.351 86 1HB TYR 11 2HB TYR 11 -33.747 0.251 1.483 87 2HB TYR 11 1HB TYR 11 -33.779 1.850 2.204 88 HD1 TYR 11 HD1 TYR 11 -31.572 2.768 3.133 89 HD2 TYR 11 HD2 TYR 11 -31.811 -0.590 0.530 90 HE1 TYR 11 HE1 TYR 11 -29.231 3.117 2.465 91 HE2 TYR 11 HE2 TYR 11 -29.493 -0.261 -0.125 92 HH TYR 11 HH TYR 11 -27.878 2.253 0.004 93 HA PRO 12 HA PRO 12 -37.457 -1.311 3.981 94 1HB PRO 12 2HB PRO 12 -38.649 0.359 1.867 95 2HB PRO 12 1HB PRO 12 -39.171 0.134 3.539 96 1HG PRO 12 2HG PRO 12 -38.078 2.442 2.692 97 2HG PRO 12 1HG PRO 12 -37.814 1.823 4.333 98 1HD PRO 12 2HD PRO 12 -36.013 1.695 1.944 99 2HD PRO 12 1HD PRO 12 -35.613 2.061 3.636 100 H VAL 13 H VAL 13 -35.582 -0.636 1.282 101 HA VAL 13 HA VAL 13 -34.799 -2.262 -0.237 102 HB VAL 13 HB VAL 13 -36.516 -3.950 0.817 103 1HG1 VAL 13 3HG1 VAL 13 -38.386 -2.491 -0.417 104 2HG1 VAL 13 2HG1 VAL 13 -38.031 -3.616 -1.717 105 3HG1 VAL 13 1HG1 VAL 13 -38.570 -4.225 -0.153 106 1HG2 VAL 13 2HG2 VAL 13 -34.700 -4.311 -1.029 107 2HG2 VAL 13 1HG2 VAL 13 -35.934 -5.533 -0.753 108 3HG2 VAL 13 3HG2 VAL 13 -36.096 -4.413 -2.100 109 H SER 14 H SER 14 -37.576 -0.277 -0.255 110 HA SER 14 HA SER 14 -38.188 -0.253 -2.998 111 1HB SER 14 2HB SER 14 -39.658 1.417 -2.476 112 2HB SER 14 1HB SER 14 -39.318 0.883 -0.831 113 HG SER 14 HG SER 14 -39.077 3.260 -1.567 114 H LYS 15 H LYS 15 -35.747 1.412 -1.107 115 HA LYS 15 HA LYS 15 -35.003 3.270 -3.121 116 1HB LYS 15 2HB LYS 15 -33.858 2.344 -0.535 117 2HB LYS 15 1HB LYS 15 -32.769 3.150 -1.658 118 1HG LYS 15 2HG LYS 15 -33.816 5.166 -1.453 119 2HG LYS 15 1HG LYS 15 -35.382 4.440 -1.086 120 1HD LYS 15 2HD LYS 15 -34.819 4.066 1.147 121 2HD LYS 15 1HD LYS 15 -33.091 4.216 0.835 122 1HE LYS 15 2HE LYS 15 -33.133 6.448 1.132 123 2HE LYS 15 1HE LYS 15 -34.596 6.634 0.163 124 1HZ LYS 15 3HZ LYS 15 -35.784 5.689 2.192 125 2HZ LYS 15 2HZ LYS 15 -34.366 6.043 3.045 126 3HZ LYS 15 1HZ LYS 15 -35.224 7.284 2.284 127 H CYS 16 H CYS 16 -33.262 3.234 -4.530 128 HA CYS 16 HA CYS 16 -31.417 1.145 -4.774 129 1HB CYS 16 2HB CYS 16 -34.030 0.618 -5.911 130 2HB CYS 16 1HB CYS 16 -32.798 0.588 -7.164 131 H GLN 17 H GLN 17 -33.283 2.743 -7.356 132 HA GLN 17 HA GLN 17 -32.595 4.096 -9.054 133 1HB GLN 17 2HB GLN 17 -30.802 5.434 -7.046 134 2HB GLN 17 1HB GLN 17 -31.698 6.160 -8.374 135 1HG GLN 17 2HG GLN 17 -33.800 5.491 -7.116 136 2HG GLN 17 1HG GLN 17 -32.742 5.166 -5.744 137 1HE2 GLN 17 2HE2 GLN 17 -34.021 8.583 -5.365 138 2HE2 GLN 17 1HE2 GLN 17 -34.674 6.985 -5.415 139 H LEU 18 H LEU 18 -31.087 1.668 -8.561 140 HA LEU 18 HA LEU 18 -29.127 0.628 -9.099 141 1HB LEU 18 2HB LEU 18 -29.380 2.741 -11.224 142 2HB LEU 18 1HB LEU 18 -28.243 1.408 -11.324 143 HG LEU 18 HG LEU 18 -30.942 0.459 -10.802 144 1HD1 LEU 18 1HD1 LEU 18 -30.511 2.248 -13.169 145 2HD1 LEU 18 3HD1 LEU 18 -31.702 0.947 -13.187 146 3HD1 LEU 18 2HD1 LEU 18 -31.837 2.250 -12.006 147 1HD2 LEU 18 3HD2 LEU 18 -28.947 -0.838 -11.637 148 2HD2 LEU 18 2HD2 LEU 18 -30.451 -1.089 -12.522 149 3HD2 LEU 18 1HD2 LEU 18 -29.195 -0.052 -13.197 150 H ALA 19 H ALA 19 -27.108 2.465 -10.710 151 HA ALA 19 HA ALA 19 -25.192 2.683 -8.717 152 1HB ALA 19 3HB ALA 19 -24.979 2.752 -11.297 153 2HB ALA 19 2HB ALA 19 -25.151 4.495 -11.091 154 3HB ALA 19 1HB ALA 19 -23.820 3.643 -10.309 155 H ASN 20 H ASN 20 -26.348 3.718 -6.940 156 HA ASN 20 HA ASN 20 -25.635 6.408 -6.632 157 1HB ASN 20 2HB ASN 20 -27.527 6.809 -8.179 158 2HB ASN 20 1HB ASN 20 -28.602 6.003 -7.045 159 1HD2 ASN 20 2HD2 ASN 20 -26.980 9.239 -5.269 160 2HD2 ASN 20 1HD2 ASN 20 -26.033 7.882 -5.768 161 H GLN 21 H GLN 21 -28.631 6.236 -5.274 162 HA GLN 21 HA GLN 21 -27.783 6.138 -2.629 163 1HB GLN 21 2HB GLN 21 -30.029 6.931 -3.703 164 2HB GLN 21 1HB GLN 21 -30.551 5.281 -3.379 165 1HG GLN 21 2HG GLN 21 -31.255 6.388 -1.496 166 2HG GLN 21 1HG GLN 21 -29.697 5.745 -0.980 167 1HE2 GLN 21 2HE2 GLN 21 -28.105 8.901 -0.826 168 2HE2 GLN 21 1HE2 GLN 21 -27.848 7.218 -1.121 169 H CYS 22 H CYS 22 -26.445 4.036 -3.435 170 HA CYS 22 HA CYS 22 -27.060 2.016 -1.652 171 1HB CYS 22 2HB CYS 22 -28.264 1.659 -4.355 172 2HB CYS 22 1HB CYS 22 -27.516 0.248 -3.612 173 H ASN 23 H ASN 23 -25.895 2.232 -5.014 174 HA ASN 23 HA ASN 23 -23.634 0.600 -4.646 175 1HB ASN 23 2HB ASN 23 -24.592 1.364 -6.864 176 2HB ASN 23 1HB ASN 23 -23.843 2.930 -6.564 177 1HD2 ASN 23 2HD2 ASN 23 -20.500 1.452 -6.702 178 2HD2 ASN 23 1HD2 ASN 23 -21.442 2.374 -5.584 179 H TYR 24 H TYR 24 -24.026 4.131 -4.606 180 HA TYR 24 HA TYR 24 -21.400 4.774 -3.874 181 1HB TYR 24 2HB TYR 24 -22.379 6.742 -4.406 182 2HB TYR 24 1HB TYR 24 -23.985 6.140 -4.018 183 HD1 TYR 24 HD1 TYR 24 -20.867 7.060 -2.173 184 HD2 TYR 24 HD2 TYR 24 -25.108 7.295 -2.388 185 HE1 TYR 24 HE1 TYR 24 -20.884 8.445 -0.145 186 HE2 TYR 24 HE2 TYR 24 -25.138 8.680 -0.357 187 HH TYR 24 HH TYR 24 -22.586 8.955 1.724 188 H ASP 25 H ASP 25 -24.289 4.246 -1.858 189 HA ASP 25 HA ASP 25 -23.172 4.713 0.631 190 1HB ASP 25 2HB ASP 25 -25.204 2.557 0.006 191 2HB ASP 25 1HB ASP 25 -24.955 3.353 1.557 192 H CYS 26 H CYS 26 -23.393 1.579 -1.076 193 HA CYS 26 HA CYS 26 -21.994 0.056 0.781 194 1HB CYS 26 2HB CYS 26 -21.958 -0.171 -2.242 195 2HB CYS 26 1HB CYS 26 -21.386 -1.412 -1.137 196 H LYS 27 H LYS 27 -20.827 1.958 -1.947 197 HA LYS 27 HA LYS 27 -18.102 1.409 -1.674 198 1HB LYS 27 2HB LYS 27 -19.701 2.864 -3.409 199 2HB LYS 27 1HB LYS 27 -18.667 4.091 -2.698 200 1HG LYS 27 2HG LYS 27 -16.722 3.110 -3.534 201 2HG LYS 27 1HG LYS 27 -17.515 1.564 -3.829 202 1HD LYS 27 2HD LYS 27 -17.262 2.522 -5.954 203 2HD LYS 27 1HD LYS 27 -18.951 2.814 -5.534 204 1HE LYS 27 2HE LYS 27 -17.812 4.775 -6.543 205 2HE LYS 27 1HE LYS 27 -18.466 5.086 -4.935 206 1HZ LYS 27 1HZ LYS 27 -15.650 4.277 -5.296 207 2HZ LYS 27 3HZ LYS 27 -16.115 5.895 -5.465 208 3HZ LYS 27 2HZ LYS 27 -16.359 5.094 -3.996 209 H LEU 28 H LEU 28 -19.725 2.534 0.811 210 HA LEU 28 HA LEU 28 -17.428 3.831 1.933 211 1HB LEU 28 2HB LEU 28 -18.243 5.716 0.700 212 2HB LEU 28 1HB LEU 28 -19.869 5.476 1.307 213 HG LEU 28 HG LEU 28 -19.122 6.081 3.566 214 1HD1 LEU 28 2HD1 LEU 28 -16.456 6.431 2.215 215 2HD1 LEU 28 1HD1 LEU 28 -16.851 7.113 3.792 216 3HD1 LEU 28 3HD1 LEU 28 -16.854 5.365 3.563 217 1HD2 LEU 28 2HD2 LEU 28 -19.953 7.786 1.956 218 2HD2 LEU 28 1HD2 LEU 28 -18.860 8.431 3.180 219 3HD2 LEU 28 3HD2 LEU 28 -18.277 8.144 1.540 220 H ASP 29 H ASP 29 -20.860 3.070 2.246 221 HA ASP 29 HA ASP 29 -20.985 3.452 5.054 222 1HB ASP 29 2HB ASP 29 -22.719 1.994 3.077 223 2HB ASP 29 1HB ASP 29 -23.041 1.901 4.805 224 H LYS 30 H LYS 30 -20.459 0.583 3.030 225 HA LYS 30 HA LYS 30 -19.767 -0.942 5.456 226 1HB LYS 30 2HB LYS 30 -20.533 -1.914 2.697 227 2HB LYS 30 1HB LYS 30 -20.087 -2.954 4.043 228 1HG LYS 30 2HG LYS 30 -22.292 -1.016 4.481 229 2HG LYS 30 1HG LYS 30 -22.616 -2.411 3.448 230 1HD LYS 30 2HD LYS 30 -22.103 -3.933 5.190 231 2HD LYS 30 1HD LYS 30 -21.396 -2.661 6.188 232 1HE LYS 30 2HE LYS 30 -23.570 -1.634 6.478 233 2HE LYS 30 1HE LYS 30 -24.302 -2.819 5.398 234 1HZ LYS 30 1HZ LYS 30 -22.861 -3.733 7.794 235 2HZ LYS 30 3HZ LYS 30 -24.438 -3.141 7.948 236 3HZ LYS 30 2HZ LYS 30 -24.130 -4.479 6.959 237 H HIS 31 H HIS 31 -18.296 0.818 3.131 238 HA HIS 31 HA HIS 31 -16.086 1.050 2.592 239 1HB HIS 31 2HB HIS 31 -15.289 -1.531 3.862 240 2HB HIS 31 1HB HIS 31 -14.449 0.015 3.838 241 HD1 HIS 31 HD1 HIS 31 -15.173 -1.849 6.380 242 HD2 HIS 31 HD2 HIS 31 -17.000 1.708 5.252 243 HE1 HIS 31 HE1 HIS 31 -16.216 -0.937 8.477 244 HE2 HIS 31 HE2 HIS 31 -17.216 1.272 7.792 245 H ALA 32 H ALA 32 -17.989 -0.291 0.931 246 HA ALA 32 HA ALA 32 -16.581 -2.520 -0.286 247 1HB ALA 32 3HB ALA 32 -19.146 -2.244 0.002 248 2HB ALA 32 2HB ALA 32 -19.026 -1.264 -1.459 249 3HB ALA 32 1HB ALA 32 -18.509 -2.950 -1.484 250 H ARG 33 H ARG 33 -16.677 -2.429 -2.846 251 HA ARG 33 HA ARG 33 -15.269 0.039 -3.627 252 1HB ARG 33 2HB ARG 33 -14.862 -2.824 -4.189 253 2HB ARG 33 1HB ARG 33 -14.734 -1.808 -5.612 254 1HG ARG 33 2HG ARG 33 -13.170 -0.480 -3.731 255 2HG ARG 33 1HG ARG 33 -12.856 -2.183 -3.412 256 1HD ARG 33 2HD ARG 33 -12.517 -2.404 -5.936 257 2HD ARG 33 1HD ARG 33 -12.454 -0.644 -5.959 258 HE ARG 33 HE ARG 33 -10.629 -2.155 -4.227 259 1HH1 ARG 33 1HH2 ARG 33 -11.161 0.000 -6.921 260 2HH1 ARG 33 2HH2 ARG 33 -9.493 0.445 -7.056 261 1HH2 ARG 33 2HH1 ARG 33 -8.433 -1.582 -4.409 262 2HH2 ARG 33 1HH1 ARG 33 -7.940 -0.462 -5.634 263 H SER 34 H SER 34 -18.189 -1.463 -3.918 264 HA SER 34 HA SER 34 -19.295 0.330 -5.701 265 1HB SER 34 2HB SER 34 -19.618 -1.535 -7.609 266 2HB SER 34 1HB SER 34 -18.275 -0.392 -7.626 267 HG SER 34 HG SER 34 -17.911 -2.748 -6.194 268 H GLY 35 H GLY 35 -21.285 -1.076 -6.946 269 1HA GLY 35 2HA GLY 35 -22.415 -3.143 -5.369 270 2HA GLY 35 1HA GLY 35 -23.098 -1.595 -4.902 271 H GLU 36 H GLU 36 -25.106 -2.667 -5.633 272 HA GLU 36 HA GLU 36 -25.929 -1.691 -8.131 273 1HB GLU 36 2HB GLU 36 -25.014 -4.536 -8.029 274 2HB GLU 36 1HB GLU 36 -26.438 -4.177 -8.986 275 1HG GLU 36 2HG GLU 36 -24.658 -2.266 -9.848 276 2HG GLU 36 1HG GLU 36 -23.617 -3.652 -9.547 277 H CYS 37 H CYS 37 -28.007 -3.456 -8.727 278 HA CYS 37 HA CYS 37 -29.499 -3.840 -6.245 279 1HB CYS 37 2HB CYS 37 -30.072 -1.792 -8.313 280 2HB CYS 37 1HB CYS 37 -31.460 -2.693 -7.714 281 H PHE 38 H PHE 38 -30.744 -5.627 -6.304 282 HA PHE 38 HA PHE 38 -31.626 -6.698 -8.871 283 1HB PHE 38 2HB PHE 38 -29.899 -8.246 -6.934 284 2HB PHE 38 1HB PHE 38 -30.763 -8.963 -8.289 285 HD1 PHE 38 HD2 PHE 38 -30.057 -8.541 -10.577 286 HD2 PHE 38 HD1 PHE 38 -27.921 -6.930 -7.269 287 HE1 PHE 38 HE2 PHE 38 -28.146 -8.062 -12.051 288 HE2 PHE 38 HE1 PHE 38 -26.005 -6.451 -8.736 289 HZ PHE 38 HZ PHE 38 -26.115 -7.016 -11.131 290 H TYR 39 H TYR 39 -32.975 -8.706 -8.529 291 HA TYR 39 HA TYR 39 -34.783 -8.249 -6.260 292 1HB TYR 39 2HB TYR 39 -35.155 -9.678 -8.903 293 2HB TYR 39 1HB TYR 39 -36.361 -9.673 -7.626 294 HD1 TYR 39 HD1 TYR 39 -34.247 -6.963 -9.154 295 HD2 TYR 39 HD2 TYR 39 -38.157 -8.380 -8.245 296 HE1 TYR 39 HE1 TYR 39 -35.201 -4.897 -10.066 297 HE2 TYR 39 HE2 TYR 39 -39.119 -6.312 -9.162 298 HH TYR 39 HH TYR 39 -38.305 -4.533 -10.939 299 H ASP 40 H ASP 40 -34.634 -9.634 -4.569 300 HA ASP 40 HA ASP 40 -33.637 -12.369 -5.102 301 1HB ASP 40 2HB ASP 40 -32.429 -12.363 -3.075 302 2HB ASP 40 1HB ASP 40 -32.052 -10.831 -3.859 303 H GLU 41 H GLU 41 -34.930 -13.924 -4.647 304 HA GLU 41 HA GLU 41 -37.047 -14.791 -4.140 305 1HB GLU 41 2HB GLU 41 -35.074 -15.553 -2.623 306 2HB GLU 41 1HB GLU 41 -35.929 -14.667 -1.368 307 1HG GLU 41 2HG GLU 41 -37.931 -16.038 -1.812 308 2HG GLU 41 1HG GLU 41 -37.001 -16.961 -2.991 309 H LYS 42 H LYS 42 -37.366 -11.936 -4.145 310 HA LYS 42 HA LYS 42 -39.604 -11.788 -2.283 311 1HB LYS 42 2HB LYS 42 -37.294 -9.857 -2.287 312 2HB LYS 42 1HB LYS 42 -38.882 -9.408 -1.684 313 1HG LYS 42 2HG LYS 42 -38.495 -11.697 -0.311 314 2HG LYS 42 1HG LYS 42 -36.825 -11.160 -0.494 315 1HD LYS 42 2HD LYS 42 -39.086 -9.508 0.634 316 2HD LYS 42 1HD LYS 42 -37.853 -10.334 1.586 317 1HE LYS 42 2HE LYS 42 -37.115 -8.349 -0.537 318 2HE LYS 42 1HE LYS 42 -37.547 -7.829 1.092 319 1HZ LYS 42 3HZ LYS 42 -35.770 -9.723 1.641 320 2HZ LYS 42 2HZ LYS 42 -35.164 -9.197 0.152 321 3HZ LYS 42 1HZ LYS 42 -35.353 -8.099 1.425 322 H ARG 43 H ARG 43 -38.310 -11.262 -5.295 323 HA ARG 43 HA ARG 43 -39.048 -10.234 -7.184 324 1HB ARG 43 2HB ARG 43 -41.720 -9.855 -5.862 325 2HB ARG 43 1HB ARG 43 -41.364 -10.210 -7.548 326 1HG ARG 43 2HG ARG 43 -40.978 -12.126 -5.257 327 2HG ARG 43 1HG ARG 43 -42.353 -12.121 -6.364 328 1HD ARG 43 2HD ARG 43 -40.653 -12.366 -8.234 329 2HD ARG 43 1HD ARG 43 -39.470 -12.717 -6.977 330 HE ARG 43 HE ARG 43 -41.816 -14.363 -7.636 331 1HH1 ARG 43 1HH2 ARG 43 -38.727 -13.977 -6.054 332 2HH1 ARG 43 2HH2 ARG 43 -38.568 -15.660 -5.680 333 1HH2 ARG 43 2HH1 ARG 43 -41.607 -16.577 -7.142 334 2HH2 ARG 43 1HH1 ARG 43 -40.201 -17.135 -6.299 335 H ASN 44 H ASN 44 -38.400 -8.710 -4.509 336 HA ASN 44 HA ASN 44 -39.545 -6.108 -5.172 337 1HB ASN 44 2HB ASN 44 -37.914 -7.041 -2.803 338 2HB ASN 44 1HB ASN 44 -38.492 -5.394 -3.021 339 1HD2 ASN 44 2HD2 ASN 44 -41.061 -6.606 -0.922 340 2HD2 ASN 44 1HD2 ASN 44 -39.510 -5.847 -0.932 341 H LEU 45 H LEU 45 -36.879 -5.215 -3.629 342 HA LEU 45 HA LEU 45 -34.994 -5.391 -5.823 343 1HB LEU 45 2HB LEU 45 -36.742 -3.130 -5.485 344 2HB LEU 45 1HB LEU 45 -35.074 -2.617 -5.294 345 HG LEU 45 HG LEU 45 -36.179 -4.107 -7.677 346 1HD1 LEU 45 1HD1 LEU 45 -35.551 -1.206 -7.190 347 2HD1 LEU 45 3HD1 LEU 45 -35.680 -1.898 -8.807 348 3HD1 LEU 45 2HD1 LEU 45 -37.072 -1.921 -7.724 349 1HD2 LEU 45 2HD2 LEU 45 -33.449 -3.324 -6.815 350 2HD2 LEU 45 1HD2 LEU 45 -33.988 -4.702 -7.775 351 3HD2 LEU 45 3HD2 LEU 45 -33.850 -3.110 -8.520 352 H GLN 46 H GLN 46 -33.484 -6.296 -4.456 353 HA GLN 46 HA GLN 46 -32.761 -4.873 -2.018 354 1HB GLN 46 2HB GLN 46 -32.231 -6.925 -1.269 355 2HB GLN 46 1HB GLN 46 -32.663 -7.595 -2.835 356 1HG GLN 46 2HG GLN 46 -30.353 -7.155 -3.601 357 2HG GLN 46 1HG GLN 46 -29.957 -6.622 -1.969 358 1HE2 GLN 46 2HE2 GLN 46 -31.009 -10.183 -1.019 359 2HE2 GLN 46 1HE2 GLN 46 -31.908 -8.708 -0.971 360 H CYS 47 H CYS 47 -30.561 -4.241 -1.597 361 HA CYS 47 HA CYS 47 -29.228 -3.297 -4.044 362 1HB CYS 47 2HB CYS 47 -29.520 -2.208 -1.280 363 2HB CYS 47 1HB CYS 47 -28.135 -1.718 -2.246 364 H ILE 48 H ILE 48 -27.519 -4.396 -4.647 365 HA ILE 48 HA ILE 48 -26.060 -6.029 -2.752 366 HB ILE 48 HB ILE 48 -26.039 -5.838 -5.739 367 1HG1 ILE 48 2HG1 ILE 48 -26.600 -8.055 -3.759 368 2HG1 ILE 48 1HG1 ILE 48 -27.793 -7.176 -4.710 369 1HG2 ILE 48 3HG2 ILE 48 -24.044 -7.253 -3.984 370 2HG2 ILE 48 2HG2 ILE 48 -24.319 -7.687 -5.670 371 3HG2 ILE 48 1HG2 ILE 48 -23.725 -6.079 -5.261 372 1HD1 ILE 48 2HD1 ILE 48 -26.125 -8.166 -6.634 373 2HD1 ILE 48 1HD1 ILE 48 -26.128 -9.451 -5.428 374 3HD1 ILE 48 3HD1 ILE 48 -27.650 -8.890 -6.120 375 H CYS 49 H CYS 49 -24.110 -5.684 -1.962 376 HA CYS 49 HA CYS 49 -22.686 -3.240 -2.749 377 1HB CYS 49 2HB CYS 49 -22.473 -4.983 -0.285 378 2HB CYS 49 1HB CYS 49 -21.416 -3.616 -0.613 379 H ASP 50 H ASP 50 -21.146 -3.565 -4.238 380 HA ASP 50 HA ASP 50 -19.808 -6.158 -4.388 381 1HB ASP 50 2HB ASP 50 -20.726 -4.385 -6.331 382 2HB ASP 50 1HB ASP 50 -18.979 -4.176 -6.378 383 H TYR 51 H TYR 51 -17.677 -6.489 -4.117 384 HA TYR 51 HA TYR 51 -16.111 -4.263 -2.981 385 1HB TYR 51 2HB TYR 51 -16.117 -7.213 -2.420 386 2HB TYR 51 1HB TYR 51 -14.795 -6.172 -1.907 387 HD1 TYR 51 HD2 TYR 51 -18.374 -6.929 -1.464 388 HD2 TYR 51 HD1 TYR 51 -15.044 -4.702 -0.030 389 HE1 TYR 51 HE2 TYR 51 -19.635 -6.364 0.570 390 HE2 TYR 51 HE1 TYR 51 -16.295 -4.132 2.010 391 HH TYR 51 HH TYR 51 -18.326 -5.305 3.316 392 H CYS 52 H CYS 52 -16.226 -6.763 -5.380 393 HA CYS 52 HA CYS 52 -13.737 -5.768 -6.535 394 1HB CYS 52 2HB CYS 52 -14.046 -8.729 -6.503 395 2HB CYS 52 1HB CYS 52 -12.584 -7.747 -6.479 396 H GLU 53 H GLU 53 -15.763 -4.929 -7.765 397 HA GLU 53 HA GLU 53 -16.881 -6.852 -9.623 398 1HB GLU 53 2HB GLU 53 -18.088 -4.818 -8.548 399 2HB GLU 53 1HB GLU 53 -17.278 -3.878 -9.793 400 1HG GLU 53 2HG GLU 53 -18.397 -5.023 -11.525 401 2HG GLU 53 1HG GLU 53 -18.980 -6.269 -10.423 402 H TYR 54 HN TYR 54 -14.018 -6.378 -9.719 403 HA TYR 54 HA TYR 54 -13.819 -5.457 -12.511 404 1HB TYR 54 2HB TYR 54 -11.900 -4.823 -10.260 405 2HB TYR 54 1HB TYR 54 -11.577 -4.507 -11.962 406 HD1 TYR 54 HD2 TYR 54 -13.556 -3.512 -9.038 407 HD2 TYR 54 HD1 TYR 54 -12.680 -2.686 -13.119 408 HE1 TYR 54 HE2 TYR 54 -14.689 -1.342 -8.837 409 HE2 TYR 54 HE1 TYR 54 -13.811 -0.514 -12.927 410 HH TYR 54 HH TYR 54 -15.766 0.400 -11.274 No H/Q in entry = 410 Start of MODEL 14 1 HN PCA 1 HN PCA 1 -18.295 -11.703 -9.489 2 HA PCA 1 HA PCA 1 -19.496 -13.731 -10.442 3 1HB PCA 1 1HB PCA 1 -18.921 -14.258 -12.564 4 2HB PCA 1 2HB PCA 1 -17.305 -14.755 -12.006 5 1HG PCA 1 1HG PCA 1 -18.042 -12.342 -13.413 6 2HG PCA 1 2HG PCA 1 -16.435 -12.812 -12.832 7 H ASP 2 H ASP 2 -17.601 -12.955 -8.265 8 HA ASP 2 HA ASP 2 -16.876 -15.668 -7.470 9 1HB ASP 2 2HB ASP 2 -14.896 -13.423 -7.114 10 2HB ASP 2 1HB ASP 2 -14.636 -15.151 -6.901 11 H LYS 3 H LYS 3 -16.957 -16.022 -5.270 12 HA LYS 3 HA LYS 3 -18.719 -14.740 -3.700 13 1HB LYS 3 2HB LYS 3 -16.225 -15.659 -2.341 14 2HB LYS 3 1HB LYS 3 -17.904 -15.937 -1.901 15 1HG LYS 3 2HG LYS 3 -18.078 -17.469 -3.870 16 2HG LYS 3 1HG LYS 3 -16.335 -17.294 -4.078 17 1HD LYS 3 2HD LYS 3 -16.024 -18.122 -1.761 18 2HD LYS 3 1HD LYS 3 -17.765 -18.397 -1.661 19 1HE LYS 3 2HE LYS 3 -16.147 -20.347 -2.315 20 2HE LYS 3 1HE LYS 3 -17.705 -20.169 -3.122 21 1HZ LYS 3 3HZ LYS 3 -16.523 -18.930 -4.895 22 2HZ LYS 3 2HZ LYS 3 -15.055 -19.323 -4.151 23 3HZ LYS 3 1HZ LYS 3 -16.045 -20.548 -4.766 24 H CYS 4 H CYS 4 -18.910 -12.626 -3.438 25 HA CYS 4 HA CYS 4 -17.210 -11.169 -1.769 26 1HB CYS 4 2HB CYS 4 -16.253 -11.359 -4.430 27 2HB CYS 4 1HB CYS 4 -16.812 -9.703 -4.211 28 H LYS 5 H LYS 5 -20.055 -11.703 -2.666 29 HA LYS 5 HA LYS 5 -20.962 -8.900 -2.842 30 1HB LYS 5 2HB LYS 5 -22.491 -11.336 -3.737 31 2HB LYS 5 1HB LYS 5 -22.918 -9.653 -4.006 32 1HG LYS 5 2HG LYS 5 -21.430 -9.396 -5.713 33 2HG LYS 5 1HG LYS 5 -20.315 -10.603 -5.067 34 1HD LYS 5 2HD LYS 5 -21.618 -12.387 -5.863 35 2HD LYS 5 1HD LYS 5 -23.014 -11.348 -6.146 36 1HE LYS 5 2HE LYS 5 -20.576 -10.618 -7.637 37 2HE LYS 5 1HE LYS 5 -21.303 -12.160 -8.089 38 1HZ LYS 5 1HZ LYS 5 -23.017 -9.787 -7.837 39 2HZ LYS 5 3HZ LYS 5 -22.071 -9.976 -9.227 40 3HZ LYS 5 2HZ LYS 5 -23.212 -11.154 -8.814 41 H LYS 6 H LYS 6 -22.313 -8.161 -1.275 42 HA LYS 6 HA LYS 6 -23.782 -10.050 0.366 43 1HB LYS 6 2HB LYS 6 -22.920 -8.762 2.457 44 2HB LYS 6 1HB LYS 6 -21.986 -10.086 1.786 45 1HG LYS 6 2HG LYS 6 -20.846 -8.080 0.448 46 2HG LYS 6 1HG LYS 6 -21.409 -7.183 1.858 47 1HD LYS 6 2HD LYS 6 -19.816 -9.726 2.090 48 2HD LYS 6 1HD LYS 6 -19.060 -8.139 1.979 49 1HE LYS 6 2HE LYS 6 -20.960 -9.106 4.107 50 2HE LYS 6 1HE LYS 6 -19.245 -8.736 4.296 51 1HZ LYS 6 1HZ LYS 6 -19.873 -6.407 3.568 52 2HZ LYS 6 3HZ LYS 6 -21.483 -6.856 3.837 53 3HZ LYS 6 2HZ LYS 6 -20.375 -6.875 5.114 54 H VAL 7 H VAL 7 -25.738 -9.314 0.744 55 HA VAL 7 HA VAL 7 -26.635 -6.823 -0.161 56 HB VAL 7 HB VAL 7 -28.758 -7.395 0.633 57 1HG1 VAL 7 1HG1 VAL 7 -27.506 -9.096 -0.917 58 2HG1 VAL 7 3HG1 VAL 7 -27.663 -10.160 0.481 59 3HG1 VAL 7 2HG1 VAL 7 -29.103 -9.474 -0.273 60 1HG2 VAL 7 1HG2 VAL 7 -27.295 -8.907 2.768 61 2HG2 VAL 7 3HG2 VAL 7 -28.537 -7.666 2.933 62 3HG2 VAL 7 2HG2 VAL 7 -28.975 -9.285 2.387 63 H TYR 8 H TYR 8 -27.206 -4.931 0.880 64 HA TYR 8 HA TYR 8 -25.781 -4.420 3.343 65 1HB TYR 8 2HB TYR 8 -25.652 -2.735 1.608 66 2HB TYR 8 1HB TYR 8 -27.404 -2.618 1.534 67 HD1 TYR 8 HD1 TYR 8 -26.023 -2.883 4.886 68 HD2 TYR 8 HD2 TYR 8 -27.020 -0.153 1.769 69 HE1 TYR 8 HE1 TYR 8 -25.947 -1.032 6.489 70 HE2 TYR 8 HE2 TYR 8 -26.943 1.705 3.377 71 HH TYR 8 HH TYR 8 -27.258 1.574 6.354 72 H GLU 9 H GLU 9 -27.392 -6.134 4.220 73 HA GLU 9 HA GLU 9 -29.351 -6.702 5.300 74 1HB GLU 9 2HB GLU 9 -28.507 -4.162 6.699 75 2HB GLU 9 1HB GLU 9 -29.571 -5.390 7.376 76 1HG GLU 9 2HG GLU 9 -26.978 -6.382 6.398 77 2HG GLU 9 1HG GLU 9 -26.895 -5.294 7.786 78 H ASN 10 H ASN 10 -31.145 -5.014 6.710 79 HA ASN 10 HA ASN 10 -33.110 -4.593 4.784 80 1HB ASN 10 2HB ASN 10 -32.844 -3.570 7.607 81 2HB ASN 10 1HB ASN 10 -34.281 -3.300 6.624 82 1HD2 ASN 10 2HD2 ASN 10 -35.609 -6.259 7.792 83 2HD2 ASN 10 1HD2 ASN 10 -35.772 -4.561 7.522 84 H TYR 11 H TYR 11 -30.942 -3.244 3.735 85 HA TYR 11 HA TYR 11 -30.745 -0.530 4.196 86 1HB TYR 11 2HB TYR 11 -29.164 -1.345 2.701 87 2HB TYR 11 1HB TYR 11 -30.360 -2.234 1.765 88 HD1 TYR 11 HD2 TYR 11 -28.863 1.072 2.359 89 HD2 TYR 11 HD1 TYR 11 -31.572 -1.178 -0.028 90 HE1 TYR 11 HE2 TYR 11 -28.943 2.911 0.728 91 HE2 TYR 11 HE1 TYR 11 -31.658 0.654 -1.665 92 HH TYR 11 HH TYR 11 -29.472 3.157 -1.758 93 HA PRO 12 HA PRO 12 -34.745 1.280 3.367 94 1HB PRO 12 2HB PRO 12 -33.059 3.193 1.791 95 2HB PRO 12 1HB PRO 12 -34.385 3.527 2.911 96 1HG PRO 12 2HG PRO 12 -31.829 3.801 3.658 97 2HG PRO 12 1HG PRO 12 -33.071 3.213 4.778 98 1HD PRO 12 2HD PRO 12 -30.855 1.743 3.493 99 2HD PRO 12 1HD PRO 12 -31.761 1.357 4.968 100 H VAL 13 H VAL 13 -35.304 -0.544 2.010 101 HA VAL 13 HA VAL 13 -34.628 -0.850 -0.674 102 HB VAL 13 HB VAL 13 -35.871 -2.490 0.801 103 1HG1 VAL 13 2HG1 VAL 13 -37.621 -0.629 1.319 104 2HG1 VAL 13 1HG1 VAL 13 -38.395 -1.216 -0.153 105 3HG1 VAL 13 3HG1 VAL 13 -38.131 -2.313 1.203 106 1HG2 VAL 13 2HG2 VAL 13 -35.621 -2.510 -1.811 107 2HG2 VAL 13 1HG2 VAL 13 -36.697 -3.653 -1.008 108 3HG2 VAL 13 3HG2 VAL 13 -37.359 -2.211 -1.771 109 H SER 14 H SER 14 -36.038 1.785 0.606 110 HA SER 14 HA SER 14 -38.198 2.354 -1.094 111 1HB SER 14 2HB SER 14 -37.760 4.745 -0.448 112 2HB SER 14 1HB SER 14 -37.910 3.637 0.915 113 HG SER 14 HG SER 14 -35.346 3.820 0.045 114 H LYS 15 H LYS 15 -35.592 4.645 -1.281 115 HA LYS 15 HA LYS 15 -35.852 4.905 -4.084 116 1HB LYS 15 2HB LYS 15 -35.006 6.621 -2.334 117 2HB LYS 15 1HB LYS 15 -33.439 5.861 -2.575 118 1HG LYS 15 2HG LYS 15 -33.484 6.410 -4.923 119 2HG LYS 15 1HG LYS 15 -35.114 7.067 -4.768 120 1HD LYS 15 2HD LYS 15 -33.299 8.306 -2.862 121 2HD LYS 15 1HD LYS 15 -32.699 8.471 -4.511 122 1HE LYS 15 2HE LYS 15 -34.225 10.313 -3.648 123 2HE LYS 15 1HE LYS 15 -34.624 9.614 -5.216 124 1HZ LYS 15 3HZ LYS 15 -35.886 8.270 -3.012 125 2HZ LYS 15 2HZ LYS 15 -36.341 9.893 -3.145 126 3HZ LYS 15 1HZ LYS 15 -36.557 8.845 -4.454 127 H CYS 16 H CYS 16 -35.192 3.507 -5.539 128 HA CYS 16 HA CYS 16 -32.514 2.722 -5.842 129 1HB CYS 16 2HB CYS 16 -34.018 1.074 -4.049 130 2HB CYS 16 1HB CYS 16 -33.682 0.134 -5.499 131 H GLN 17 H GLN 17 -32.507 2.964 -7.991 132 HA GLN 17 HA GLN 17 -34.338 1.331 -9.588 133 1HB GLN 17 2HB GLN 17 -34.086 4.318 -9.703 134 2HB GLN 17 1HB GLN 17 -34.536 3.408 -11.139 135 1HG GLN 17 2HG GLN 17 -36.045 2.854 -8.654 136 2HG GLN 17 1HG GLN 17 -36.330 4.401 -9.450 137 1HE2 GLN 17 2HE2 GLN 17 -37.661 2.888 -12.417 138 2HE2 GLN 17 1HE2 GLN 17 -36.586 4.144 -11.914 139 H LEU 18 H LEU 18 -31.337 2.989 -9.206 140 HA LEU 18 HA LEU 18 -30.039 1.379 -11.158 141 1HB LEU 18 2HB LEU 18 -30.892 4.133 -11.843 142 2HB LEU 18 1HB LEU 18 -29.247 3.724 -12.279 143 HG LEU 18 HG LEU 18 -31.088 1.640 -13.113 144 1HD1 LEU 18 3HD1 LEU 18 -31.636 4.435 -14.068 145 2HD1 LEU 18 2HD1 LEU 18 -32.111 2.991 -14.963 146 3HD1 LEU 18 1HD1 LEU 18 -32.770 3.287 -13.355 147 1HD2 LEU 18 1HD2 LEU 18 -28.724 2.100 -13.886 148 2HD2 LEU 18 3HD2 LEU 18 -29.909 1.768 -15.148 149 3HD2 LEU 18 2HD2 LEU 18 -29.397 3.426 -14.834 150 H ALA 19 H ALA 19 -27.732 2.466 -11.581 151 HA ALA 19 HA ALA 19 -26.344 2.356 -9.173 152 1HB ALA 19 1HB ALA 19 -25.412 1.984 -11.473 153 2HB ALA 19 3HB ALA 19 -25.367 3.737 -11.658 154 3HB ALA 19 2HB ALA 19 -24.403 2.959 -10.403 155 H ASN 20 H ASN 20 -26.485 3.739 -7.539 156 HA ASN 20 HA ASN 20 -25.666 6.414 -7.757 157 1HB ASN 20 2HB ASN 20 -27.866 6.735 -8.802 158 2HB ASN 20 1HB ASN 20 -28.645 6.053 -7.378 159 1HD2 ASN 20 2HD2 ASN 20 -26.705 9.266 -6.054 160 2HD2 ASN 20 1HD2 ASN 20 -25.946 7.772 -6.476 161 H GLN 21 H GLN 21 -28.320 6.112 -5.643 162 HA GLN 21 HA GLN 21 -26.923 6.536 -3.317 163 1HB GLN 21 2HB GLN 21 -29.491 4.962 -3.576 164 2HB GLN 21 1HB GLN 21 -28.900 5.747 -2.117 165 1HG GLN 21 2HG GLN 21 -30.145 6.926 -4.540 166 2HG GLN 21 1HG GLN 21 -30.411 7.294 -2.837 167 1HE2 GLN 21 2HE2 GLN 21 -27.498 9.414 -2.638 168 2HE2 GLN 21 1HE2 GLN 21 -28.265 8.130 -1.774 169 H CYS 22 H CYS 22 -28.154 3.392 -4.460 170 HA CYS 22 HA CYS 22 -27.053 1.813 -2.460 171 1HB CYS 22 2HB CYS 22 -28.703 1.177 -4.332 172 2HB CYS 22 1HB CYS 22 -27.272 0.876 -5.311 173 H ASN 23 H ASN 23 -25.696 2.374 -5.720 174 HA ASN 23 HA ASN 23 -23.314 1.018 -5.406 175 1HB ASN 23 2HB ASN 23 -24.191 2.090 -7.515 176 2HB ASN 23 1HB ASN 23 -23.599 3.631 -6.902 177 1HD2 ASN 23 2HD2 ASN 23 -20.693 0.831 -7.517 178 2HD2 ASN 23 1HD2 ASN 23 -22.121 0.447 -6.624 179 H TYR 24 H TYR 24 -23.639 4.561 -5.090 180 HA TYR 24 HA TYR 24 -21.165 5.056 -3.966 181 1HB TYR 24 2HB TYR 24 -22.028 7.112 -4.292 182 2HB TYR 24 1HB TYR 24 -23.669 6.486 -4.283 183 HD1 TYR 24 HD1 TYR 24 -21.012 6.836 -1.683 184 HD2 TYR 24 HD2 TYR 24 -25.014 7.678 -2.851 185 HE1 TYR 24 HE1 TYR 24 -21.403 7.917 0.481 186 HE2 TYR 24 HE2 TYR 24 -25.420 8.766 -0.682 187 HH TYR 24 HH TYR 24 -24.526 8.766 1.579 188 H ASP 25 H ASP 25 -24.219 4.306 -2.300 189 HA ASP 25 HA ASP 25 -23.365 4.549 0.315 190 1HB ASP 25 2HB ASP 25 -25.413 2.770 -0.978 191 2HB ASP 25 1HB ASP 25 -25.072 2.633 0.744 192 H CYS 26 H CYS 26 -23.538 1.414 -1.424 193 HA CYS 26 HA CYS 26 -22.120 -0.056 0.444 194 1HB CYS 26 2HB CYS 26 -22.164 -0.327 -2.571 195 2HB CYS 26 1HB CYS 26 -21.436 -1.518 -1.501 196 H LYS 27 H LYS 27 -20.895 1.689 -2.379 197 HA LYS 27 HA LYS 27 -18.177 1.171 -1.977 198 1HB LYS 27 2HB LYS 27 -19.524 2.215 -3.992 199 2HB LYS 27 1HB LYS 27 -19.047 3.729 -3.238 200 1HG LYS 27 2HG LYS 27 -16.771 3.317 -3.581 201 2HG LYS 27 1HG LYS 27 -17.037 1.600 -3.882 202 1HD LYS 27 2HD LYS 27 -17.876 1.975 -6.019 203 2HD LYS 27 1HD LYS 27 -18.248 3.667 -5.679 204 1HE LYS 27 2HE LYS 27 -15.412 2.760 -5.568 205 2HE LYS 27 1HE LYS 27 -16.166 3.001 -7.143 206 1HZ LYS 27 3HZ LYS 27 -16.480 5.125 -5.163 207 2HZ LYS 27 2HZ LYS 27 -14.951 4.942 -5.863 208 3HZ LYS 27 1HZ LYS 27 -16.300 5.230 -6.842 209 H LEU 28 H LEU 28 -19.844 2.456 0.380 210 HA LEU 28 HA LEU 28 -17.595 3.909 1.419 211 1HB LEU 28 2HB LEU 28 -18.587 5.625 -0.006 212 2HB LEU 28 1HB LEU 28 -20.125 5.433 0.811 213 HG LEU 28 HG LEU 28 -18.780 7.446 1.495 214 1HD1 LEU 28 3HD1 LEU 28 -20.456 5.922 2.981 215 2HD1 LEU 28 2HD1 LEU 28 -19.012 5.902 3.991 216 3HD1 LEU 28 1HD1 LEU 28 -19.739 7.436 3.527 217 1HD2 LEU 28 2HD2 LEU 28 -16.609 6.094 1.432 218 2HD2 LEU 28 1HD2 LEU 28 -16.819 7.251 2.747 219 3HD2 LEU 28 3HD2 LEU 28 -17.066 5.528 3.038 220 H ASP 29 H ASP 29 -21.039 3.168 1.793 221 HA ASP 29 HA ASP 29 -21.137 3.634 4.585 222 1HB ASP 29 2HB ASP 29 -22.883 1.961 2.772 223 2HB ASP 29 1HB ASP 29 -23.239 2.256 4.472 224 H LYS 30 H LYS 30 -20.748 0.669 2.670 225 HA LYS 30 HA LYS 30 -20.061 -0.799 5.120 226 1HB LYS 30 2HB LYS 30 -20.759 -1.751 2.339 227 2HB LYS 30 1HB LYS 30 -20.262 -2.816 3.647 228 1HG LYS 30 2HG LYS 30 -22.321 -1.321 4.759 229 2HG LYS 30 1HG LYS 30 -22.863 -1.624 3.108 230 1HD LYS 30 2HD LYS 30 -23.680 -3.460 4.265 231 2HD LYS 30 1HD LYS 30 -22.169 -4.076 3.592 232 1HE LYS 30 2HE LYS 30 -22.624 -3.076 6.402 233 2HE LYS 30 1HE LYS 30 -22.383 -4.751 5.908 234 1HZ LYS 30 3HZ LYS 30 -20.371 -2.598 5.544 235 2HZ LYS 30 2HZ LYS 30 -20.375 -3.690 6.837 236 3HZ LYS 30 1HZ LYS 30 -20.152 -4.253 5.258 237 H HIS 31 H HIS 31 -18.471 1.047 3.060 238 HA HIS 31 HA HIS 31 -16.319 1.227 2.348 239 1HB HIS 31 2HB HIS 31 -15.324 -0.987 4.052 240 2HB HIS 31 1HB HIS 31 -14.751 0.672 3.909 241 HD1 HIS 31 HD1 HIS 31 -15.668 -1.221 6.507 242 HD2 HIS 31 HD2 HIS 31 -17.395 2.242 4.994 243 HE1 HIS 31 HE1 HIS 31 -16.959 -0.222 8.420 244 HE2 HIS 31 HE2 HIS 31 -18.073 1.820 7.453 245 H ALA 32 H ALA 32 -18.040 -0.500 0.886 246 HA ALA 32 HA ALA 32 -16.474 -2.840 0.186 247 1HB ALA 32 3HB ALA 32 -19.077 -2.590 0.270 248 2HB ALA 32 2HB ALA 32 -18.867 -1.977 -1.370 249 3HB ALA 32 1HB ALA 32 -18.315 -3.602 -0.958 250 H ARG 33 H ARG 33 -16.668 -3.171 -2.426 251 HA ARG 33 HA ARG 33 -14.917 -1.101 -3.496 252 1HB ARG 33 2HB ARG 33 -14.503 -3.667 -3.569 253 2HB ARG 33 1HB ARG 33 -15.655 -3.652 -4.897 254 1HG ARG 33 2HG ARG 33 -13.763 -3.398 -6.111 255 2HG ARG 33 1HG ARG 33 -14.048 -1.698 -5.733 256 1HD ARG 33 2HD ARG 33 -12.547 -1.927 -3.777 257 2HD ARG 33 1HD ARG 33 -12.212 -3.587 -4.266 258 HE ARG 33 HE ARG 33 -11.031 -2.768 -6.143 259 1HH1 ARG 33 1HH2 ARG 33 -12.170 -0.234 -4.031 260 2HH1 ARG 33 2HH2 ARG 33 -11.071 0.950 -4.654 261 1HH2 ARG 33 2HH1 ARG 33 -9.585 -1.213 -6.965 262 2HH2 ARG 33 1HH1 ARG 33 -9.608 0.396 -6.324 263 H SER 34 H SER 34 -18.103 -2.390 -3.831 264 HA SER 34 HA SER 34 -19.065 -0.220 -5.323 265 1HB SER 34 2HB SER 34 -19.507 -1.248 -7.485 266 2HB SER 34 1HB SER 34 -17.776 -1.308 -7.159 267 HG SER 34 HG SER 34 -18.776 -3.297 -7.963 268 H GLY 35 H GLY 35 -21.205 -1.435 -6.666 269 1HA GLY 35 2HA GLY 35 -22.594 -3.468 -5.549 270 2HA GLY 35 1HA GLY 35 -22.825 -2.169 -4.390 271 H GLU 36 H GLU 36 -25.056 -3.061 -5.372 272 HA GLU 36 HA GLU 36 -26.251 -0.864 -6.643 273 1HB GLU 36 2HB GLU 36 -24.904 -2.122 -8.535 274 2HB GLU 36 1HB GLU 36 -26.284 -3.210 -8.501 275 1HG GLU 36 2HG GLU 36 -27.783 -1.400 -9.021 276 2HG GLU 36 1HG GLU 36 -26.461 -0.237 -8.923 277 H CYS 37 H CYS 37 -28.568 -1.313 -7.201 278 HA CYS 37 HA CYS 37 -29.653 -3.143 -5.233 279 1HB CYS 37 2HB CYS 37 -30.511 -0.706 -6.480 280 2HB CYS 37 1HB CYS 37 -31.749 -1.930 -6.730 281 H PHE 38 H PHE 38 -30.736 -5.001 -5.631 282 HA PHE 38 HA PHE 38 -31.438 -5.718 -8.367 283 1HB PHE 38 2HB PHE 38 -29.354 -7.104 -6.714 284 2HB PHE 38 1HB PHE 38 -30.318 -8.026 -7.863 285 HD1 PHE 38 HD2 PHE 38 -30.481 -6.862 -10.263 286 HD2 PHE 38 HD1 PHE 38 -27.343 -6.291 -7.446 287 HE1 PHE 38 HE2 PHE 38 -28.978 -6.173 -12.084 288 HE2 PHE 38 HE1 PHE 38 -25.834 -5.598 -9.263 289 HZ PHE 38 HZ PHE 38 -26.651 -5.540 -11.585 290 H TYR 39 H TYR 39 -32.726 -7.729 -8.459 291 HA TYR 39 HA TYR 39 -34.569 -7.790 -6.230 292 1HB TYR 39 2HB TYR 39 -34.591 -8.942 -9.003 293 2HB TYR 39 1HB TYR 39 -35.757 -9.479 -7.800 294 HD1 TYR 39 HD2 TYR 39 -34.433 -6.320 -9.293 295 HD2 TYR 39 HD1 TYR 39 -37.774 -8.373 -7.645 296 HE1 TYR 39 HE2 TYR 39 -35.872 -4.400 -9.837 297 HE2 TYR 39 HE1 TYR 39 -39.224 -6.460 -8.189 298 HH TYR 39 HH TYR 39 -38.776 -3.853 -8.534 299 H ASP 40 H ASP 40 -35.530 -10.092 -5.794 300 HA ASP 40 HA ASP 40 -33.272 -11.863 -5.119 301 1HB ASP 40 2HB ASP 40 -34.579 -12.652 -3.246 302 2HB ASP 40 1HB ASP 40 -34.549 -10.892 -3.200 303 H GLU 41 H GLU 41 -34.077 -14.224 -4.828 304 HA GLU 41 HA GLU 41 -34.899 -15.132 -7.363 305 1HB GLU 41 2HB GLU 41 -34.606 -16.537 -4.714 306 2HB GLU 41 1HB GLU 41 -35.051 -17.380 -6.192 307 1HG GLU 41 2HG GLU 41 -32.753 -17.693 -6.013 308 2HG GLU 41 1HG GLU 41 -32.925 -16.395 -7.194 309 H LYS 42 H LYS 42 -36.852 -13.364 -6.021 310 HA LYS 42 HA LYS 42 -39.190 -15.043 -6.477 311 1HB LYS 42 2HB LYS 42 -38.370 -14.080 -3.870 312 2HB LYS 42 1HB LYS 42 -39.948 -13.433 -4.296 313 1HG LYS 42 2HG LYS 42 -40.930 -15.520 -4.376 314 2HG LYS 42 1HG LYS 42 -39.395 -16.350 -4.629 315 1HD LYS 42 2HD LYS 42 -40.139 -14.930 -2.078 316 2HD LYS 42 1HD LYS 42 -40.400 -16.652 -2.355 317 1HE LYS 42 2HE LYS 42 -37.869 -15.152 -1.924 318 2HE LYS 42 1HE LYS 42 -38.372 -16.721 -1.300 319 1HZ LYS 42 2HZ LYS 42 -37.607 -16.210 -4.122 320 2HZ LYS 42 1HZ LYS 42 -36.569 -16.854 -2.952 321 3HZ LYS 42 3HZ LYS 42 -37.950 -17.712 -3.425 322 H ARG 43 H ARG 43 -38.725 -11.784 -5.145 323 HA ARG 43 HA ARG 43 -39.026 -10.235 -7.366 324 1HB ARG 43 2HB ARG 43 -41.124 -11.145 -7.959 325 2HB ARG 43 1HB ARG 43 -41.694 -11.132 -6.296 326 1HG ARG 43 2HG ARG 43 -42.493 -9.042 -6.487 327 2HG ARG 43 1HG ARG 43 -41.013 -8.462 -7.249 328 1HD ARG 43 2HD ARG 43 -43.256 -9.924 -8.633 329 2HD ARG 43 1HD ARG 43 -42.934 -8.195 -8.721 330 HE ARG 43 HE ARG 43 -41.071 -10.245 -9.732 331 1HH1 ARG 43 1HH2 ARG 43 -42.662 -7.146 -10.031 332 2HH1 ARG 43 2HH2 ARG 43 -41.850 -6.738 -11.503 333 1HH2 ARG 43 2HH1 ARG 43 -40.005 -9.699 -11.660 334 2HH2 ARG 43 1HH1 ARG 43 -40.344 -8.185 -12.430 335 H ASN 44 H ASN 44 -37.556 -9.441 -5.588 336 HA ASN 44 HA ASN 44 -38.970 -7.375 -4.070 337 1HB ASN 44 2HB ASN 44 -36.910 -9.228 -2.847 338 2HB ASN 44 1HB ASN 44 -37.620 -7.824 -2.055 339 1HD2 ASN 44 2HD2 ASN 44 -39.417 -11.343 -1.822 340 2HD2 ASN 44 1HD2 ASN 44 -37.795 -11.091 -2.362 341 H LEU 45 H LEU 45 -36.544 -6.588 -2.667 342 HA LEU 45 HA LEU 45 -34.639 -5.968 -4.770 343 1HB LEU 45 2HB LEU 45 -36.522 -4.003 -3.585 344 2HB LEU 45 1HB LEU 45 -34.864 -3.469 -3.751 345 HG LEU 45 HG LEU 45 -35.312 -4.453 -6.257 346 1HD1 LEU 45 1HD1 LEU 45 -37.939 -3.333 -5.295 347 2HD1 LEU 45 3HD1 LEU 45 -37.513 -3.620 -6.982 348 3HD1 LEU 45 2HD1 LEU 45 -37.637 -4.974 -5.860 349 1HD2 LEU 45 2HD2 LEU 45 -35.686 -1.716 -5.093 350 2HD2 LEU 45 1HD2 LEU 45 -34.340 -2.346 -6.042 351 3HD2 LEU 45 3HD2 LEU 45 -35.887 -2.010 -6.819 352 H GLN 46 H GLN 46 -32.603 -5.712 -4.030 353 HA GLN 46 HA GLN 46 -32.127 -5.204 -1.201 354 1HB GLN 46 2HB GLN 46 -31.522 -7.774 -2.609 355 2HB GLN 46 1HB GLN 46 -30.415 -7.208 -1.365 356 1HG GLN 46 2HG GLN 46 -31.969 -7.456 0.320 357 2HG GLN 46 1HG GLN 46 -33.337 -7.380 -0.788 358 1HE2 GLN 46 2HE2 GLN 46 -33.294 -10.792 -1.598 359 2HE2 GLN 46 1HE2 GLN 46 -33.804 -9.215 -2.084 360 H CYS 47 H CYS 47 -30.210 -4.183 -0.806 361 HA CYS 47 HA CYS 47 -28.772 -3.185 -3.108 362 1HB CYS 47 2HB CYS 47 -29.161 -2.380 -0.345 363 2HB CYS 47 1HB CYS 47 -27.462 -2.290 -0.790 364 H ILE 48 H ILE 48 -27.473 -4.712 -3.992 365 HA ILE 48 HA ILE 48 -25.901 -6.487 -2.342 366 HB ILE 48 HB ILE 48 -25.929 -6.114 -5.339 367 1HG1 ILE 48 2HG1 ILE 48 -27.966 -7.088 -3.946 368 2HG1 ILE 48 1HG1 ILE 48 -27.481 -7.808 -5.478 369 1HG2 ILE 48 1HG2 ILE 48 -24.474 -8.050 -3.569 370 2HG2 ILE 48 3HG2 ILE 48 -24.825 -8.411 -5.259 371 3HG2 ILE 48 2HG2 ILE 48 -23.826 -7.019 -4.844 372 1HD1 ILE 48 1HD1 ILE 48 -26.379 -8.825 -2.893 373 2HD1 ILE 48 3HD1 ILE 48 -27.957 -9.346 -3.482 374 3HD1 ILE 48 2HD1 ILE 48 -26.513 -9.645 -4.449 375 H CYS 49 H CYS 49 -24.100 -5.797 -1.400 376 HA CYS 49 HA CYS 49 -22.497 -3.699 -2.666 377 1HB CYS 49 2HB CYS 49 -22.244 -4.943 0.082 378 2HB CYS 49 1HB CYS 49 -21.315 -3.574 -0.514 379 H ASP 50 H ASP 50 -20.865 -4.284 -3.930 380 HA ASP 50 HA ASP 50 -19.713 -6.962 -3.663 381 1HB ASP 50 2HB ASP 50 -18.844 -5.102 -5.826 382 2HB ASP 50 1HB ASP 50 -19.129 -6.840 -5.880 383 H TYR 51 H TYR 51 -17.572 -7.358 -3.304 384 HA TYR 51 HA TYR 51 -15.998 -5.066 -2.317 385 1HB TYR 51 2HB TYR 51 -16.139 -7.936 -1.425 386 2HB TYR 51 1HB TYR 51 -14.837 -6.858 -0.927 387 HD1 TYR 51 HD1 TYR 51 -18.574 -6.753 -1.142 388 HD2 TYR 51 HD2 TYR 51 -15.098 -5.906 1.162 389 HE1 TYR 51 HE1 TYR 51 -19.995 -5.912 0.675 390 HE2 TYR 51 HE2 TYR 51 -16.512 -5.062 2.989 391 HH TYR 51 HH TYR 51 -20.037 -5.249 2.828 392 H CYS 52 H CYS 52 -16.008 -7.846 -4.423 393 HA CYS 52 HA CYS 52 -13.150 -7.541 -4.983 394 1HB CYS 52 2HB CYS 52 -15.198 -9.596 -5.802 395 2HB CYS 52 1HB CYS 52 -13.598 -9.527 -6.530 396 H GLU 53 H GLU 53 -14.860 -8.732 -7.620 397 HA GLU 53 HA GLU 53 -15.048 -7.976 -9.764 398 1HB GLU 53 2HB GLU 53 -17.046 -6.968 -8.854 399 2HB GLU 53 1HB GLU 53 -16.129 -5.598 -8.242 400 1HG GLU 53 2HG GLU 53 -15.855 -6.037 -11.127 401 2HG GLU 53 1HG GLU 53 -17.493 -5.645 -10.606 402 H TYR 54 HN TYR 54 -13.183 -7.688 -10.821 403 HA TYR 54 HA TYR 54 -11.547 -5.324 -10.203 404 1HB TYR 54 2HB TYR 54 -10.931 -8.073 -10.864 405 2HB TYR 54 1HB TYR 54 -10.137 -6.987 -11.998 406 HD1 TYR 54 HD2 TYR 54 -10.771 -7.131 -8.312 407 HD2 TYR 54 HD1 TYR 54 -7.994 -6.384 -11.447 408 HE1 TYR 54 HE2 TYR 54 -9.017 -6.683 -6.647 409 HE2 TYR 54 HE1 TYR 54 -6.234 -5.931 -9.791 410 HH TYR 54 HH TYR 54 -6.332 -6.835 -6.715 No H/Q in entry = 410 Start of MODEL 15 1 HN PCA 1 HN PCA 1 -15.642 -19.112 1.618 2 HA PCA 1 HA PCA 1 -16.853 -16.876 1.435 3 1HB PCA 1 1HB PCA 1 -16.179 -15.293 2.903 4 2HB PCA 1 2HB PCA 1 -14.578 -15.227 2.127 5 1HG PCA 1 1HG PCA 1 -15.321 -16.517 4.614 6 2HG PCA 1 2HG PCA 1 -13.718 -16.433 3.864 7 H ASP 2 H ASP 2 -16.743 -15.802 -0.504 8 HA ASP 2 HA ASP 2 -14.310 -15.428 -1.946 9 1HB ASP 2 2HB ASP 2 -14.972 -17.945 -2.201 10 2HB ASP 2 1HB ASP 2 -16.188 -17.326 -3.315 11 H LYS 3 H LYS 3 -17.829 -15.629 -2.041 12 HA LYS 3 HA LYS 3 -18.562 -14.354 -4.284 13 1HB LYS 3 2HB LYS 3 -19.884 -14.973 -2.056 14 2HB LYS 3 1HB LYS 3 -19.744 -13.245 -1.774 15 1HG LYS 3 2HG LYS 3 -21.039 -12.710 -3.632 16 2HG LYS 3 1HG LYS 3 -20.820 -14.299 -4.365 17 1HD LYS 3 2HD LYS 3 -22.335 -13.814 -1.803 18 2HD LYS 3 1HD LYS 3 -23.089 -13.912 -3.394 19 1HE LYS 3 2HE LYS 3 -21.750 -16.191 -3.490 20 2HE LYS 3 1HE LYS 3 -21.854 -16.052 -1.735 21 1HZ LYS 3 3HZ LYS 3 -24.194 -15.911 -3.555 22 2HZ LYS 3 2HZ LYS 3 -23.702 -17.313 -2.748 23 3HZ LYS 3 1HZ LYS 3 -24.221 -15.968 -1.864 24 H CYS 4 H CYS 4 -18.361 -12.448 -5.246 25 HA CYS 4 HA CYS 4 -16.649 -10.453 -3.976 26 1HB CYS 4 2HB CYS 4 -17.454 -11.082 -6.788 27 2HB CYS 4 1HB CYS 4 -16.833 -9.478 -6.403 28 H LYS 5 H LYS 5 -19.806 -11.007 -3.911 29 HA LYS 5 HA LYS 5 -20.444 -8.180 -3.622 30 1HB LYS 5 2HB LYS 5 -22.670 -8.647 -4.837 31 2HB LYS 5 1HB LYS 5 -21.232 -8.369 -5.806 32 1HG LYS 5 2HG LYS 5 -22.051 -10.185 -6.892 33 2HG LYS 5 1HG LYS 5 -21.085 -11.018 -5.675 34 1HD LYS 5 2HD LYS 5 -23.077 -11.282 -4.276 35 2HD LYS 5 1HD LYS 5 -24.040 -10.437 -5.488 36 1HE LYS 5 2HE LYS 5 -23.110 -12.276 -7.091 37 2HE LYS 5 1HE LYS 5 -22.824 -13.162 -5.594 38 1HZ LYS 5 1HZ LYS 5 -25.456 -11.967 -5.903 39 2HZ LYS 5 3HZ LYS 5 -25.108 -13.269 -6.926 40 3HZ LYS 5 2HZ LYS 5 -25.017 -13.462 -5.248 41 H LYS 6 H LYS 6 -22.314 -7.774 -2.314 42 HA LYS 6 HA LYS 6 -23.556 -10.065 -1.014 43 1HB LYS 6 2HB LYS 6 -22.893 -9.543 1.191 44 2HB LYS 6 1HB LYS 6 -21.417 -9.497 0.235 45 1HG LYS 6 2HG LYS 6 -21.928 -6.959 0.049 46 2HG LYS 6 1HG LYS 6 -22.951 -7.249 1.457 47 1HD LYS 6 2HD LYS 6 -20.020 -7.937 1.261 48 2HD LYS 6 1HD LYS 6 -20.677 -6.510 2.065 49 1HE LYS 6 2HE LYS 6 -20.609 -7.821 3.904 50 2HE LYS 6 1HE LYS 6 -22.115 -8.479 3.263 51 1HZ LYS 6 1HZ LYS 6 -19.547 -9.642 2.423 52 2HZ LYS 6 3HZ LYS 6 -20.199 -10.061 3.928 53 3HZ LYS 6 2HZ LYS 6 -21.072 -10.366 2.511 54 H VAL 7 H VAL 7 -25.626 -9.698 -0.608 55 HA VAL 7 HA VAL 7 -26.889 -7.283 -1.307 56 HB VAL 7 HB VAL 7 -28.932 -8.248 -0.586 57 1HG1 VAL 7 3HG1 VAL 7 -26.997 -9.929 -2.024 58 2HG1 VAL 7 2HG1 VAL 7 -28.369 -10.809 -1.353 59 3HG1 VAL 7 1HG1 VAL 7 -28.641 -9.462 -2.456 60 1HG2 VAL 7 1HG2 VAL 7 -27.189 -9.962 1.145 61 2HG2 VAL 7 3HG2 VAL 7 -28.568 -8.958 1.596 62 3HG2 VAL 7 2HG2 VAL 7 -28.825 -10.467 0.720 63 H TYR 8 H TYR 8 -27.871 -5.696 -0.083 64 HA TYR 8 HA TYR 8 -26.719 -5.315 2.574 65 1HB TYR 8 2HB TYR 8 -26.970 -3.517 0.664 66 2HB TYR 8 1HB TYR 8 -28.606 -3.372 1.292 67 HD1 TYR 8 HD1 TYR 8 -28.701 -3.144 3.958 68 HD2 TYR 8 HD2 TYR 8 -25.384 -2.087 1.515 69 HE1 TYR 8 HE1 TYR 8 -27.893 -1.632 5.721 70 HE2 TYR 8 HE2 TYR 8 -24.565 -0.574 3.269 71 HH TYR 8 HH TYR 8 -25.567 0.705 5.213 72 H GLU 9 H GLU 9 -27.964 -7.113 3.438 73 HA GLU 9 HA GLU 9 -30.754 -7.223 3.469 74 1HB GLU 9 2HB GLU 9 -30.318 -8.569 5.650 75 2HB GLU 9 1HB GLU 9 -29.737 -9.198 4.115 76 1HG GLU 9 2HG GLU 9 -27.533 -8.753 4.608 77 2HG GLU 9 1HG GLU 9 -27.939 -7.507 5.786 78 H ASN 10 H ASN 10 -31.408 -5.046 3.848 79 HA ASN 10 HA ASN 10 -32.603 -4.398 6.112 80 1HB ASN 10 2HB ASN 10 -30.867 -4.494 7.629 81 2HB ASN 10 1HB ASN 10 -29.678 -3.899 6.475 82 1HD2 ASN 10 2HD2 ASN 10 -32.102 -1.200 8.384 83 2HD2 ASN 10 1HD2 ASN 10 -32.693 -2.770 7.977 84 H TYR 11 H TYR 11 -31.277 -3.514 3.227 85 HA TYR 11 HA TYR 11 -31.232 -0.758 3.199 86 1HB TYR 11 2HB TYR 11 -30.728 -2.555 1.338 87 2HB TYR 11 1HB TYR 11 -32.369 -2.166 0.835 88 HD1 TYR 11 HD2 TYR 11 -29.054 -0.652 1.538 89 HD2 TYR 11 HD1 TYR 11 -32.811 -0.226 -0.410 90 HE1 TYR 11 HE2 TYR 11 -28.219 1.351 0.381 91 HE2 TYR 11 HE1 TYR 11 -31.988 1.777 -1.567 92 HH TYR 11 HH TYR 11 -28.646 2.729 -1.453 93 HA PRO 12 HA PRO 12 -35.544 0.296 4.026 94 1HB PRO 12 2HB PRO 12 -34.971 2.851 2.654 95 2HB PRO 12 1HB PRO 12 -35.553 2.560 4.295 96 1HG PRO 12 2HG PRO 12 -33.049 3.383 3.779 97 2HG PRO 12 1HG PRO 12 -33.440 2.320 5.142 98 1HD PRO 12 2HD PRO 12 -32.155 1.667 2.533 99 2HD PRO 12 1HD PRO 12 -31.877 0.991 4.151 100 H VAL 13 H VAL 13 -35.113 -1.282 1.763 101 HA VAL 13 HA VAL 13 -35.599 -1.231 -0.633 102 HB VAL 13 HB VAL 13 -38.138 -1.736 0.892 103 1HG1 VAL 13 1HG1 VAL 13 -37.129 -2.582 -1.804 104 2HG1 VAL 13 3HG1 VAL 13 -38.429 -3.436 -0.974 105 3HG1 VAL 13 2HG1 VAL 13 -38.624 -1.737 -1.404 106 1HG2 VAL 13 2HG2 VAL 13 -35.700 -3.443 0.490 107 2HG2 VAL 13 1HG2 VAL 13 -36.525 -3.041 1.997 108 3HG2 VAL 13 3HG2 VAL 13 -37.281 -4.139 0.842 109 H SER 14 H SER 14 -35.541 0.749 -1.594 110 HA SER 14 HA SER 14 -38.016 1.856 -2.426 111 1HB SER 14 2HB SER 14 -37.891 4.054 -1.423 112 2HB SER 14 1HB SER 14 -37.857 2.848 -0.136 113 HG SER 14 HG SER 14 -35.934 4.652 -0.914 114 H LYS 15 H LYS 15 -35.416 4.081 -1.913 115 HA LYS 15 HA LYS 15 -35.100 4.611 -4.669 116 1HB LYS 15 2HB LYS 15 -34.418 5.924 -2.392 117 2HB LYS 15 1HB LYS 15 -32.845 5.305 -2.869 118 1HG LYS 15 2HG LYS 15 -32.912 6.466 -4.930 119 2HG LYS 15 1HG LYS 15 -34.621 6.856 -4.732 120 1HD LYS 15 2HD LYS 15 -34.174 8.403 -3.012 121 2HD LYS 15 1HD LYS 15 -32.530 7.804 -2.792 122 1HE LYS 15 2HE LYS 15 -32.308 9.844 -3.946 123 2HE LYS 15 1HE LYS 15 -32.082 8.587 -5.161 124 1HZ LYS 15 1HZ LYS 15 -34.786 9.622 -4.769 125 2HZ LYS 15 3HZ LYS 15 -33.675 10.624 -5.558 126 3HZ LYS 15 2HZ LYS 15 -34.027 9.093 -6.184 127 H CYS 16 H CYS 16 -34.131 3.339 -6.141 128 HA CYS 16 HA CYS 16 -31.526 2.288 -5.755 129 1HB CYS 16 2HB CYS 16 -33.714 0.674 -4.820 130 2HB CYS 16 1HB CYS 16 -32.903 -0.162 -6.141 131 H GLN 17 H GLN 17 -34.253 2.892 -7.685 132 HA GLN 17 HA GLN 17 -33.407 1.354 -9.962 133 1HB GLN 17 2HB GLN 17 -35.338 3.618 -10.205 134 2HB GLN 17 1HB GLN 17 -35.360 2.038 -10.978 135 1HG GLN 17 2HG GLN 17 -35.930 2.527 -8.066 136 2HG GLN 17 1HG GLN 17 -37.159 2.354 -9.319 137 1HE2 GLN 17 2HE2 GLN 17 -35.601 -0.865 -7.557 138 2HE2 GLN 17 1HE2 GLN 17 -35.336 0.759 -7.027 139 H LEU 18 H LEU 18 -31.462 3.166 -8.881 140 HA LEU 18 HA LEU 18 -30.566 4.397 -11.282 141 1HB LEU 18 2HB LEU 18 -32.023 5.996 -9.303 142 2HB LEU 18 1HB LEU 18 -30.455 6.666 -9.711 143 HG LEU 18 HG LEU 18 -32.244 5.847 -11.936 144 1HD1 LEU 18 3HD1 LEU 18 -33.726 7.087 -10.429 145 2HD1 LEU 18 2HD1 LEU 18 -32.576 8.424 -10.413 146 3HD1 LEU 18 1HD1 LEU 18 -33.396 7.983 -11.911 147 1HD2 LEU 18 2HD2 LEU 18 -29.940 6.651 -12.321 148 2HD2 LEU 18 1HD2 LEU 18 -31.161 7.675 -13.076 149 3HD2 LEU 18 3HD2 LEU 18 -30.382 8.188 -11.580 150 H ALA 19 H ALA 19 -28.464 3.948 -11.227 151 HA ALA 19 HA ALA 19 -27.017 3.159 -8.975 152 1HB ALA 19 3HB ALA 19 -26.154 4.184 -11.666 153 2HB ALA 19 2HB ALA 19 -24.994 3.685 -10.433 154 3HB ALA 19 1HB ALA 19 -26.162 2.525 -11.068 155 H ASN 20 H ASN 20 -27.023 4.497 -7.238 156 HA ASN 20 HA ASN 20 -25.280 6.738 -7.261 157 1HB ASN 20 2HB ASN 20 -27.209 7.836 -8.288 158 2HB ASN 20 1HB ASN 20 -28.235 7.314 -6.956 159 1HD2 ASN 20 2HD2 ASN 20 -25.513 9.618 -5.226 160 2HD2 ASN 20 1HD2 ASN 20 -25.249 7.986 -5.730 161 H GLN 21 H GLN 21 -28.191 6.584 -5.295 162 HA GLN 21 HA GLN 21 -27.025 6.875 -2.854 163 1HB GLN 21 2HB GLN 21 -29.519 6.753 -3.486 164 2HB GLN 21 1HB GLN 21 -29.367 5.022 -3.217 165 1HG GLN 21 2HG GLN 21 -30.112 5.711 -1.172 166 2HG GLN 21 1HG GLN 21 -28.369 5.766 -0.921 167 1HE2 GLN 21 2HE2 GLN 21 -28.633 9.004 0.229 168 2HE2 GLN 21 1HE2 GLN 21 -28.041 7.393 0.429 169 H CYS 22 H CYS 22 -28.021 3.703 -4.152 170 HA CYS 22 HA CYS 22 -26.808 2.158 -2.177 171 1HB CYS 22 2HB CYS 22 -28.481 1.464 -4.004 172 2HB CYS 22 1HB CYS 22 -27.065 1.233 -5.027 173 H ASN 23 H ASN 23 -25.579 2.898 -5.438 174 HA ASN 23 HA ASN 23 -23.155 1.603 -5.280 175 1HB ASN 23 2HB ASN 23 -24.369 3.185 -7.135 176 2HB ASN 23 1HB ASN 23 -23.061 4.245 -6.613 177 1HD2 ASN 23 2HD2 ASN 23 -20.727 2.648 -8.571 178 2HD2 ASN 23 1HD2 ASN 23 -21.274 4.061 -7.741 179 H TYR 24 H TYR 24 -23.592 5.102 -4.687 180 HA TYR 24 HA TYR 24 -21.090 5.615 -3.633 181 1HB TYR 24 2HB TYR 24 -22.061 7.652 -3.730 182 2HB TYR 24 1HB TYR 24 -23.672 6.952 -3.682 183 HD1 TYR 24 HD1 TYR 24 -20.839 7.310 -1.273 184 HD2 TYR 24 HD2 TYR 24 -24.997 7.809 -2.012 185 HE1 TYR 24 HE1 TYR 24 -21.134 8.150 1.012 186 HE2 TYR 24 HE2 TYR 24 -25.306 8.657 0.275 187 HH TYR 24 HH TYR 24 -24.304 8.738 2.361 188 H ASP 25 H ASP 25 -24.034 4.622 -1.911 189 HA ASP 25 HA ASP 25 -23.099 4.673 0.676 190 1HB ASP 25 2HB ASP 25 -25.128 2.983 -0.732 191 2HB ASP 25 1HB ASP 25 -24.698 2.592 0.929 192 H CYS 26 H CYS 26 -23.142 1.722 -1.363 193 HA CYS 26 HA CYS 26 -21.600 0.166 0.350 194 1HB CYS 26 2HB CYS 26 -21.639 0.088 -2.679 195 2HB CYS 26 1HB CYS 26 -21.024 -1.188 -1.636 196 H LYS 27 H LYS 27 -20.645 2.421 -2.176 197 HA LYS 27 HA LYS 27 -17.890 1.954 -2.160 198 1HB LYS 27 2HB LYS 27 -19.326 3.351 -3.780 199 2HB LYS 27 1HB LYS 27 -19.097 4.664 -2.633 200 1HG LYS 27 2HG LYS 27 -17.219 5.153 -3.745 201 2HG LYS 27 1HG LYS 27 -16.529 3.698 -3.025 202 1HD LYS 27 2HD LYS 27 -17.091 2.394 -4.948 203 2HD LYS 27 1HD LYS 27 -18.046 3.710 -5.631 204 1HE LYS 27 2HE LYS 27 -15.818 3.453 -6.688 205 2HE LYS 27 1HE LYS 27 -16.076 5.042 -5.969 206 1HZ LYS 27 1HZ LYS 27 -14.962 3.641 -3.948 207 2HZ LYS 27 3HZ LYS 27 -14.153 3.014 -5.294 208 3HZ LYS 27 2HZ LYS 27 -14.122 4.676 -4.989 209 H LEU 28 H LEU 28 -19.523 2.697 0.524 210 HA LEU 28 HA LEU 28 -17.188 3.783 1.807 211 1HB LEU 28 2HB LEU 28 -18.569 5.715 0.704 212 2HB LEU 28 1HB LEU 28 -19.624 5.494 2.085 213 HG LEU 28 HG LEU 28 -18.216 7.220 2.749 214 1HD1 LEU 28 3HD1 LEU 28 -18.317 5.317 4.372 215 2HD1 LEU 28 2HD1 LEU 28 -16.735 4.812 3.779 216 3HD1 LEU 28 1HD1 LEU 28 -16.926 6.383 4.557 217 1HD2 LEU 28 3HD2 LEU 28 -16.123 5.733 1.237 218 2HD2 LEU 28 2HD2 LEU 28 -16.586 7.432 1.150 219 3HD2 LEU 28 1HD2 LEU 28 -15.640 6.846 2.517 220 H ASP 29 H ASP 29 -20.644 3.052 2.077 221 HA ASP 29 HA ASP 29 -20.687 2.888 4.903 222 1HB ASP 29 2HB ASP 29 -22.505 1.725 2.791 223 2HB ASP 29 1HB ASP 29 -22.817 1.577 4.517 224 H LYS 30 H LYS 30 -20.607 0.323 2.423 225 HA LYS 30 HA LYS 30 -19.726 -1.570 4.491 226 1HB LYS 30 2HB LYS 30 -20.732 -2.110 1.691 227 2HB LYS 30 1HB LYS 30 -20.339 -3.326 2.898 228 1HG LYS 30 2HG LYS 30 -22.385 -1.229 3.477 229 2HG LYS 30 1HG LYS 30 -22.807 -2.655 2.530 230 1HD LYS 30 2HD LYS 30 -21.339 -3.116 5.069 231 2HD LYS 30 1HD LYS 30 -23.006 -2.556 5.209 232 1HE LYS 30 2HE LYS 30 -22.574 -4.757 3.291 233 2HE LYS 30 1HE LYS 30 -22.288 -5.161 4.981 234 1HZ LYS 30 3HZ LYS 30 -24.770 -3.892 3.962 235 2HZ LYS 30 2HZ LYS 30 -24.591 -5.548 4.252 236 3HZ LYS 30 1HZ LYS 30 -24.489 -4.450 5.534 237 H HIS 31 H HIS 31 -17.990 0.454 3.307 238 HA HIS 31 HA HIS 31 -16.032 0.687 2.093 239 1HB HIS 31 2HB HIS 31 -15.276 -1.806 3.600 240 2HB HIS 31 1HB HIS 31 -14.264 -0.421 3.199 241 HD1 HIS 31 HD1 HIS 31 -15.334 -1.802 6.081 242 HD2 HIS 31 HD2 HIS 31 -15.997 1.979 4.492 243 HE1 HIS 31 HE1 HIS 31 -15.923 -0.344 8.043 244 HE2 HIS 31 HE2 HIS 31 -16.373 1.928 7.050 245 H ALA 32 H ALA 32 -17.876 -0.699 0.495 246 HA ALA 32 HA ALA 32 -16.451 -2.958 -0.655 247 1HB ALA 32 3HB ALA 32 -19.075 -2.542 -0.348 248 2HB ALA 32 2HB ALA 32 -18.878 -1.885 -1.974 249 3HB ALA 32 1HB ALA 32 -18.414 -3.552 -1.631 250 H ARG 33 H ARG 33 -16.779 -2.846 -3.275 251 HA ARG 33 HA ARG 33 -15.106 -0.579 -4.075 252 1HB ARG 33 2HB ARG 33 -14.347 -2.864 -4.626 253 2HB ARG 33 1HB ARG 33 -15.806 -3.111 -5.576 254 1HG ARG 33 2HG ARG 33 -15.102 -1.741 -7.273 255 2HG ARG 33 1HG ARG 33 -14.031 -0.810 -6.223 256 1HD ARG 33 2HD ARG 33 -13.585 -3.656 -7.121 257 2HD ARG 33 1HD ARG 33 -12.776 -2.234 -7.777 258 HE ARG 33 HE ARG 33 -12.470 -2.547 -4.932 259 1HH1 ARG 33 1HH2 ARG 33 -11.215 -3.397 -8.065 260 2HH1 ARG 33 2HH2 ARG 33 -9.613 -3.713 -7.485 261 1HH2 ARG 33 2HH1 ARG 33 -10.365 -2.957 -4.151 262 2HH2 ARG 33 1HH1 ARG 33 -9.129 -3.459 -5.256 263 H SER 34 H SER 34 -18.258 -1.925 -4.488 264 HA SER 34 HA SER 34 -19.337 0.423 -5.602 265 1HB SER 34 2HB SER 34 -19.415 0.066 -7.854 266 2HB SER 34 1HB SER 34 -18.004 -0.943 -7.540 267 HG SER 34 HG SER 34 -20.136 -1.746 -8.675 268 H GLY 35 H GLY 35 -21.477 -0.801 -7.078 269 1HA GLY 35 2HA GLY 35 -22.692 -2.990 -5.997 270 2HA GLY 35 1HA GLY 35 -23.044 -1.713 -4.846 271 H GLU 36 H GLU 36 -25.248 -2.491 -5.565 272 HA GLU 36 HA GLU 36 -26.480 -0.496 -7.092 273 1HB GLU 36 2HB GLU 36 -25.281 -2.205 -8.799 274 2HB GLU 36 1HB GLU 36 -26.805 -3.048 -8.590 275 1HG GLU 36 2HG GLU 36 -28.035 -1.312 -9.532 276 2HG GLU 36 1HG GLU 36 -26.742 -0.137 -9.296 277 H CYS 37 H CYS 37 -28.513 -2.480 -8.141 278 HA CYS 37 HA CYS 37 -29.579 -3.633 -5.699 279 1HB CYS 37 2HB CYS 37 -30.417 -1.075 -6.588 280 2HB CYS 37 1HB CYS 37 -31.744 -2.181 -6.924 281 H PHE 38 H PHE 38 -30.700 -5.453 -6.080 282 HA PHE 38 HA PHE 38 -31.897 -5.919 -8.687 283 1HB PHE 38 2HB PHE 38 -29.731 -7.720 -7.587 284 2HB PHE 38 1HB PHE 38 -30.710 -8.054 -9.013 285 HD1 PHE 38 HD2 PHE 38 -30.663 -6.174 -10.845 286 HD2 PHE 38 HD1 PHE 38 -27.677 -6.726 -7.866 287 HE1 PHE 38 HE2 PHE 38 -29.050 -4.947 -12.241 288 HE2 PHE 38 HE1 PHE 38 -26.059 -5.500 -9.254 289 HZ PHE 38 HZ PHE 38 -26.743 -4.609 -11.446 290 H TYR 39 H TYR 39 -32.666 -8.402 -8.638 291 HA TYR 39 HA TYR 39 -34.416 -8.539 -6.319 292 1HB TYR 39 2HB TYR 39 -34.379 -9.874 -9.009 293 2HB TYR 39 1HB TYR 39 -35.390 -10.500 -7.713 294 HD1 TYR 39 HD2 TYR 39 -34.699 -7.425 -9.685 295 HD2 TYR 39 HD1 TYR 39 -37.480 -9.560 -7.281 296 HE1 TYR 39 HE2 TYR 39 -36.434 -5.774 -10.239 297 HE2 TYR 39 HE1 TYR 39 -39.225 -7.915 -7.826 298 HH TYR 39 HH TYR 39 -39.413 -6.128 -10.130 299 H ASP 40 H ASP 40 -34.941 -11.240 -6.178 300 HA ASP 40 HA ASP 40 -32.693 -12.908 -6.004 301 1HB ASP 40 2HB ASP 40 -33.031 -12.773 -3.254 302 2HB ASP 40 1HB ASP 40 -31.693 -12.067 -4.156 303 H GLU 41 H GLU 41 -33.274 -14.639 -4.043 304 HA GLU 41 HA GLU 41 -35.514 -16.004 -5.018 305 1HB GLU 41 2HB GLU 41 -33.897 -16.296 -2.492 306 2HB GLU 41 1HB GLU 41 -35.260 -17.348 -2.843 307 1HG GLU 41 2HG GLU 41 -33.800 -18.670 -3.900 308 2HG GLU 41 1HG GLU 41 -33.767 -17.447 -5.169 309 H LYS 42 H LYS 42 -35.469 -13.238 -3.264 310 HA LYS 42 HA LYS 42 -37.910 -13.837 -1.744 311 1HB LYS 42 2HB LYS 42 -36.389 -11.244 -1.630 312 2HB LYS 42 1HB LYS 42 -37.459 -11.946 -0.424 313 1HG LYS 42 2HG LYS 42 -34.835 -13.190 -1.198 314 2HG LYS 42 1HG LYS 42 -34.992 -12.002 0.095 315 1HD LYS 42 2HD LYS 42 -35.910 -13.497 1.521 316 2HD LYS 42 1HD LYS 42 -36.918 -14.219 0.267 317 1HE LYS 42 2HE LYS 42 -35.388 -15.881 1.047 318 2HE LYS 42 1HE LYS 42 -34.904 -15.409 -0.581 319 1HZ LYS 42 1HZ LYS 42 -33.569 -13.744 1.211 320 2HZ LYS 42 3HZ LYS 42 -33.394 -15.325 1.787 321 3HZ LYS 42 2HZ LYS 42 -32.907 -14.939 0.214 322 H ARG 43 H ARG 43 -37.110 -12.791 -4.742 323 HA ARG 43 HA ARG 43 -38.203 -11.684 -6.398 324 1HB ARG 43 2HB ARG 43 -40.369 -12.486 -4.519 325 2HB ARG 43 1HB ARG 43 -40.788 -11.324 -5.768 326 1HG ARG 43 2HG ARG 43 -40.969 -12.951 -7.287 327 2HG ARG 43 1HG ARG 43 -39.330 -13.501 -6.956 328 1HD ARG 43 2HD ARG 43 -40.053 -14.999 -5.291 329 2HD ARG 43 1HD ARG 43 -41.647 -14.251 -5.197 330 HE ARG 43 HE ARG 43 -41.536 -15.135 -7.748 331 1HH1 ARG 43 1HH2 ARG 43 -40.953 -16.660 -4.669 332 2HH1 ARG 43 2HH2 ARG 43 -41.454 -18.229 -5.206 333 1HH2 ARG 43 2HH1 ARG 43 -42.196 -17.193 -8.464 334 2HH2 ARG 43 1HH1 ARG 43 -42.159 -18.531 -7.367 335 H ASN 44 H ASN 44 -37.656 -10.331 -3.452 336 HA ASN 44 HA ASN 44 -38.920 -7.764 -4.071 337 1HB ASN 44 2HB ASN 44 -37.197 -8.242 -1.663 338 2HB ASN 44 1HB ASN 44 -38.566 -7.151 -1.852 339 1HD2 ASN 44 2HD2 ASN 44 -40.969 -9.837 -1.541 340 2HD2 ASN 44 1HD2 ASN 44 -40.616 -8.505 -2.583 341 H LEU 45 H LEU 45 -37.638 -5.779 -3.969 342 HA LEU 45 HA LEU 45 -35.094 -6.132 -5.334 343 1HB LEU 45 2HB LEU 45 -37.038 -3.918 -4.970 344 2HB LEU 45 1HB LEU 45 -35.359 -3.445 -5.163 345 HG LEU 45 HG LEU 45 -36.486 -5.370 -7.140 346 1HD1 LEU 45 1HD1 LEU 45 -37.300 -2.509 -6.873 347 2HD1 LEU 45 3HD1 LEU 45 -37.126 -3.230 -8.474 348 3HD1 LEU 45 2HD1 LEU 45 -38.268 -3.917 -7.317 349 1HD2 LEU 45 3HD2 LEU 45 -34.130 -4.722 -7.208 350 2HD2 LEU 45 2HD2 LEU 45 -34.993 -4.169 -8.644 351 3HD2 LEU 45 1HD2 LEU 45 -34.598 -3.029 -7.357 352 H GLN 46 H GLN 46 -33.126 -5.769 -4.446 353 HA GLN 46 HA GLN 46 -32.938 -4.323 -1.924 354 1HB GLN 46 2HB GLN 46 -32.511 -7.245 -2.223 355 2HB GLN 46 1HB GLN 46 -31.340 -6.378 -1.237 356 1HG GLN 46 2HG GLN 46 -33.001 -5.651 0.272 357 2HG GLN 46 1HG GLN 46 -34.303 -6.147 -0.808 358 1HE2 GLN 46 2HE2 GLN 46 -33.122 -8.615 2.003 359 2HE2 GLN 46 1HE2 GLN 46 -32.884 -6.903 1.971 360 H CYS 47 H CYS 47 -30.780 -3.764 -1.323 361 HA CYS 47 HA CYS 47 -29.210 -2.955 -3.546 362 1HB CYS 47 2HB CYS 47 -29.279 -2.484 -0.671 363 2HB CYS 47 1HB CYS 47 -27.635 -2.553 -1.295 364 H ILE 48 H ILE 48 -26.978 -3.411 -3.882 365 HA ILE 48 HA ILE 48 -25.961 -5.945 -2.845 366 HB ILE 48 HB ILE 48 -26.599 -5.366 -5.717 367 1HG1 ILE 48 2HG1 ILE 48 -27.805 -6.972 -3.900 368 2HG1 ILE 48 1HG1 ILE 48 -27.834 -7.275 -5.632 369 1HG2 ILE 48 3HG2 ILE 48 -24.317 -7.049 -4.731 370 2HG2 ILE 48 2HG2 ILE 48 -25.079 -7.321 -6.297 371 3HG2 ILE 48 1HG2 ILE 48 -24.301 -5.775 -5.951 372 1HD1 ILE 48 2HD1 ILE 48 -25.841 -8.472 -3.722 373 2HD1 ILE 48 1HD1 ILE 48 -27.308 -9.270 -4.286 374 3HD1 ILE 48 3HD1 ILE 48 -26.036 -8.853 -5.433 375 H CYS 49 H CYS 49 -24.070 -5.370 -2.007 376 HA CYS 49 HA CYS 49 -22.526 -3.207 -3.203 377 1HB CYS 49 2HB CYS 49 -22.104 -4.774 -0.653 378 2HB CYS 49 1HB CYS 49 -21.099 -3.431 -1.186 379 H ASP 50 H ASP 50 -21.023 -3.607 -4.654 380 HA ASP 50 HA ASP 50 -19.928 -6.298 -4.930 381 1HB ASP 50 2HB ASP 50 -20.804 -4.650 -6.834 382 2HB ASP 50 1HB ASP 50 -19.142 -4.073 -6.761 383 H TYR 51 H TYR 51 -17.616 -6.599 -5.236 384 HA TYR 51 HA TYR 51 -15.973 -4.582 -3.844 385 1HB TYR 51 2HB TYR 51 -16.124 -7.553 -3.385 386 2HB TYR 51 1HB TYR 51 -14.714 -6.612 -2.905 387 HD1 TYR 51 HD1 TYR 51 -18.402 -6.829 -2.443 388 HD2 TYR 51 HD2 TYR 51 -14.685 -5.526 -0.833 389 HE1 TYR 51 HE1 TYR 51 -19.523 -6.265 -0.329 390 HE2 TYR 51 HE2 TYR 51 -15.796 -4.958 1.285 391 HH TYR 51 HH TYR 51 -17.719 -5.304 2.510 392 H CYS 52 H CYS 52 -16.124 -7.249 -6.140 393 HA CYS 52 HA CYS 52 -13.412 -6.665 -7.071 394 1HB CYS 52 2HB CYS 52 -15.273 -8.876 -7.955 395 2HB CYS 52 1HB CYS 52 -13.548 -8.748 -8.283 396 H GLU 53 H GLU 53 -15.263 -8.070 -9.470 397 HA GLU 53 HA GLU 53 -15.869 -5.495 -10.760 398 1HB GLU 53 2HB GLU 53 -14.485 -7.873 -12.019 399 2HB GLU 53 1HB GLU 53 -15.094 -6.488 -12.916 400 1HG GLU 53 2HG GLU 53 -12.913 -6.476 -10.844 401 2HG GLU 53 1HG GLU 53 -12.727 -6.262 -12.584 402 H TYR 54 HN TYR 54 -16.241 -7.947 -12.929 403 HA TYR 54 HA TYR 54 -18.159 -8.688 -13.959 404 1HB TYR 54 2HB TYR 54 -19.071 -9.777 -11.341 405 2HB TYR 54 1HB TYR 54 -18.901 -10.581 -12.897 406 HD1 TYR 54 HD1 TYR 54 -16.374 -10.780 -13.728 407 HD2 TYR 54 HD2 TYR 54 -17.582 -10.348 -9.671 408 HE1 TYR 54 HE1 TYR 54 -14.242 -11.761 -12.996 409 HE2 TYR 54 HE2 TYR 54 -15.452 -11.327 -8.928 410 HH TYR 54 HH TYR 54 -13.666 -12.672 -9.712 No H/Q in entry = 410 Start of MODEL 16 1 HN PCA 1 HN PCA 1 -17.186 -15.023 -9.376 2 HA PCA 1 HA PCA 1 -15.062 -14.026 -8.420 3 1HB PCA 1 1HB PCA 1 -15.180 -11.797 -8.050 4 2HB PCA 1 2HB PCA 1 -16.250 -12.099 -6.660 5 1HG PCA 1 1HG PCA 1 -16.966 -11.038 -9.235 6 2HG PCA 1 2HG PCA 1 -18.055 -11.441 -7.894 7 H ASP 2 H ASP 2 -17.693 -13.351 -6.142 8 HA ASP 2 HA ASP 2 -18.429 -14.472 -4.288 9 1HB ASP 2 2HB ASP 2 -18.004 -16.526 -5.865 10 2HB ASP 2 1HB ASP 2 -16.597 -16.782 -4.837 11 H LYS 3 H LYS 3 -15.402 -13.426 -4.928 12 HA LYS 3 HA LYS 3 -14.393 -13.979 -2.211 13 1HB LYS 3 2HB LYS 3 -12.920 -13.221 -4.738 14 2HB LYS 3 1HB LYS 3 -12.166 -13.320 -3.154 15 1HG LYS 3 2HG LYS 3 -13.572 -15.633 -4.466 16 2HG LYS 3 1HG LYS 3 -11.849 -15.310 -4.645 17 1HD LYS 3 2HD LYS 3 -11.576 -16.586 -2.810 18 2HD LYS 3 1HD LYS 3 -12.205 -15.211 -1.904 19 1HE LYS 3 2HE LYS 3 -13.552 -16.931 -1.167 20 2HE LYS 3 1HE LYS 3 -14.524 -16.242 -2.464 21 1HZ LYS 3 1HZ LYS 3 -12.704 -18.536 -2.892 22 2HZ LYS 3 3HZ LYS 3 -14.323 -18.731 -2.439 23 3HZ LYS 3 2HZ LYS 3 -13.938 -17.983 -3.906 24 H CYS 4 H CYS 4 -15.896 -11.632 -4.009 25 HA CYS 4 HA CYS 4 -15.277 -9.596 -2.058 26 1HB CYS 4 2HB CYS 4 -14.275 -9.460 -4.873 27 2HB CYS 4 1HB CYS 4 -14.767 -7.971 -4.073 28 H LYS 5 H LYS 5 -17.657 -10.774 -2.399 29 HA LYS 5 HA LYS 5 -19.289 -8.586 -3.431 30 1HB LYS 5 2HB LYS 5 -20.689 -9.950 -4.777 31 2HB LYS 5 1HB LYS 5 -19.034 -10.299 -5.252 32 1HG LYS 5 2HG LYS 5 -19.759 -12.435 -5.120 33 2HG LYS 5 1HG LYS 5 -19.364 -12.223 -3.415 34 1HD LYS 5 2HD LYS 5 -21.655 -11.780 -2.872 35 2HD LYS 5 1HD LYS 5 -22.101 -11.711 -4.577 36 1HE LYS 5 2HE LYS 5 -21.355 -14.108 -4.754 37 2HE LYS 5 1HE LYS 5 -21.225 -14.118 -2.995 38 1HZ LYS 5 3HZ LYS 5 -23.719 -13.389 -4.423 39 2HZ LYS 5 2HZ LYS 5 -23.372 -14.969 -3.930 40 3HZ LYS 5 1HZ LYS 5 -23.531 -13.741 -2.779 41 H LYS 6 H LYS 6 -21.106 -8.226 -2.292 42 HA LYS 6 HA LYS 6 -22.112 -10.232 -0.438 43 1HB LYS 6 2HB LYS 6 -21.244 -7.489 0.504 44 2HB LYS 6 1HB LYS 6 -22.036 -8.713 1.485 45 1HG LYS 6 2HG LYS 6 -20.096 -10.184 1.205 46 2HG LYS 6 1HG LYS 6 -19.303 -8.941 0.237 47 1HD LYS 6 2HD LYS 6 -18.424 -8.769 2.440 48 2HD LYS 6 1HD LYS 6 -19.513 -7.402 2.211 49 1HE LYS 6 2HE LYS 6 -20.837 -9.768 3.322 50 2HE LYS 6 1HE LYS 6 -19.551 -9.137 4.349 51 1HZ LYS 6 3HZ LYS 6 -20.712 -6.883 3.869 52 2HZ LYS 6 2HZ LYS 6 -22.053 -7.847 3.505 53 3HZ LYS 6 1HZ LYS 6 -21.349 -7.925 5.040 54 H VAL 7 H VAL 7 -23.697 -8.287 1.020 55 HA VAL 7 HA VAL 7 -25.200 -6.695 -0.785 56 HB VAL 7 HB VAL 7 -26.683 -8.157 -1.633 57 1HG1 VAL 7 3HG1 VAL 7 -25.170 -10.138 0.014 58 2HG1 VAL 7 2HG1 VAL 7 -26.603 -10.622 -0.887 59 3HG1 VAL 7 1HG1 VAL 7 -25.223 -9.939 -1.737 60 1HG2 VAL 7 1HG2 VAL 7 -28.115 -7.605 0.255 61 2HG2 VAL 7 3HG2 VAL 7 -28.347 -9.282 -0.234 62 3HG2 VAL 7 2HG2 VAL 7 -27.396 -8.907 1.202 63 H TYR 8 H TYR 8 -27.060 -5.672 0.272 64 HA TYR 8 HA TYR 8 -26.507 -5.268 3.089 65 1HB TYR 8 2HB TYR 8 -27.218 -3.544 1.143 66 2HB TYR 8 1HB TYR 8 -28.806 -3.887 1.820 67 HD1 TYR 8 HD1 TYR 8 -28.142 -4.205 4.684 68 HD2 TYR 8 HD2 TYR 8 -26.759 -1.364 1.838 69 HE1 TYR 8 HE1 TYR 8 -27.745 -2.591 6.496 70 HE2 TYR 8 HE2 TYR 8 -26.357 0.258 3.641 71 HH TYR 8 HH TYR 8 -27.468 -0.276 6.874 72 H GLU 9 H GLU 9 -27.405 -6.522 4.576 73 HA GLU 9 HA GLU 9 -29.591 -8.239 4.102 74 1HB GLU 9 2HB GLU 9 -28.619 -7.326 6.807 75 2HB GLU 9 1HB GLU 9 -29.455 -8.822 6.420 76 1HG GLU 9 2HG GLU 9 -27.569 -9.737 5.377 77 2HG GLU 9 1HG GLU 9 -26.763 -8.171 5.272 78 H ASN 10 H ASN 10 -29.733 -5.027 4.197 79 HA ASN 10 HA ASN 10 -32.494 -4.814 4.495 80 1HB ASN 10 2HB ASN 10 -32.675 -3.617 6.640 81 2HB ASN 10 1HB ASN 10 -32.107 -5.263 6.884 82 1HD2 ASN 10 2HD2 ASN 10 -29.011 -4.358 8.187 83 2HD2 ASN 10 1HD2 ASN 10 -30.017 -5.622 7.577 84 H TYR 11 H TYR 11 -33.148 -2.884 3.699 85 HA TYR 11 HA TYR 11 -31.795 -0.430 3.921 86 1HB TYR 11 2HB TYR 11 -30.080 -1.462 2.554 87 2HB TYR 11 1HB TYR 11 -31.275 -2.010 1.396 88 HD1 TYR 11 HD2 TYR 11 -31.727 1.394 2.608 89 HD2 TYR 11 HD1 TYR 11 -29.784 -1.012 -0.289 90 HE1 TYR 11 HE2 TYR 11 -31.272 3.395 1.258 91 HE2 TYR 11 HE1 TYR 11 -29.318 0.967 -1.642 92 HH TYR 11 HH TYR 11 -30.043 3.186 -1.973 93 HA PRO 12 HA PRO 12 -36.255 -0.011 2.829 94 1HB PRO 12 2HB PRO 12 -35.327 2.824 3.075 95 2HB PRO 12 1HB PRO 12 -36.812 2.070 3.669 96 1HG PRO 12 2HG PRO 12 -34.784 2.565 5.322 97 2HG PRO 12 1HG PRO 12 -35.753 1.089 5.478 98 1HD PRO 12 2HD PRO 12 -32.991 1.439 4.462 99 2HD PRO 12 1HD PRO 12 -33.734 0.038 5.251 100 H VAL 13 H VAL 13 -35.094 -0.793 0.710 101 HA VAL 13 HA VAL 13 -34.242 -0.201 -1.453 102 HB VAL 13 HB VAL 13 -37.193 0.218 -1.747 103 1HG1 VAL 13 1HG1 VAL 13 -35.086 -1.248 -3.319 104 2HG1 VAL 13 3HG1 VAL 13 -36.813 -1.359 -3.654 105 3HG1 VAL 13 2HG1 VAL 13 -35.986 0.191 -3.795 106 1HG2 VAL 13 2HG2 VAL 13 -35.787 -2.209 -0.708 107 2HG2 VAL 13 1HG2 VAL 13 -37.304 -1.481 -0.179 108 3HG2 VAL 13 3HG2 VAL 13 -37.239 -2.383 -1.694 109 H SER 14 H SER 14 -33.636 2.144 -0.322 110 HA SER 14 HA SER 14 -35.142 4.351 -1.263 111 1HB SER 14 2HB SER 14 -33.579 5.682 -0.231 112 2HB SER 14 1HB SER 14 -33.303 4.166 0.622 113 HG SER 14 HG SER 14 -31.786 5.328 -1.456 114 H LYS 15 H LYS 15 -35.038 5.523 -3.050 115 HA LYS 15 HA LYS 15 -34.844 5.642 -5.365 116 1HB LYS 15 2HB LYS 15 -33.155 7.152 -3.899 117 2HB LYS 15 1HB LYS 15 -32.000 6.333 -4.940 118 1HG LYS 15 2HG LYS 15 -32.455 8.159 -6.223 119 2HG LYS 15 1HG LYS 15 -33.700 7.057 -6.819 120 1HD LYS 15 2HD LYS 15 -35.331 8.061 -5.317 121 2HD LYS 15 1HD LYS 15 -34.093 9.142 -4.674 122 1HE LYS 15 2HE LYS 15 -34.575 9.120 -7.611 123 2HE LYS 15 1HE LYS 15 -35.756 9.919 -6.574 124 1HZ LYS 15 3HZ LYS 15 -33.763 11.119 -5.590 125 2HZ LYS 15 2HZ LYS 15 -32.895 10.572 -6.937 126 3HZ LYS 15 1HZ LYS 15 -34.242 11.575 -7.149 127 H CYS 16 H CYS 16 -34.256 2.841 -4.629 128 HA CYS 16 HA CYS 16 -31.902 2.056 -6.056 129 1HB CYS 16 2HB CYS 16 -33.861 0.767 -4.419 130 2HB CYS 16 1HB CYS 16 -33.753 -0.130 -5.927 131 H GLN 17 H GLN 17 -32.167 3.199 -8.031 132 HA GLN 17 HA GLN 17 -33.452 1.634 -10.069 133 1HB GLN 17 2HB GLN 17 -34.537 4.320 -9.270 134 2HB GLN 17 1HB GLN 17 -34.678 3.757 -10.929 135 1HG GLN 17 2HG GLN 17 -35.750 1.661 -9.921 136 2HG GLN 17 1HG GLN 17 -35.913 2.620 -8.451 137 1HE2 GLN 17 2HE2 GLN 17 -38.167 3.487 -11.747 138 2HE2 GLN 17 1HE2 GLN 17 -36.722 2.551 -11.884 139 H LEU 18 H LEU 18 -31.890 4.689 -9.216 140 HA LEU 18 HA LEU 18 -30.883 5.191 -11.844 141 1HB LEU 18 2HB LEU 18 -30.246 6.338 -9.138 142 2HB LEU 18 1HB LEU 18 -29.397 6.844 -10.586 143 HG LEU 18 HG LEU 18 -31.709 7.403 -11.545 144 1HD1 LEU 18 2HD1 LEU 18 -32.368 7.011 -8.643 145 2HD1 LEU 18 1HD1 LEU 18 -33.337 8.023 -9.712 146 3HD1 LEU 18 3HD1 LEU 18 -33.158 6.302 -10.049 147 1HD2 LEU 18 2HD2 LEU 18 -30.055 9.079 -10.841 148 2HD2 LEU 18 1HD2 LEU 18 -31.708 9.593 -10.501 149 3HD2 LEU 18 3HD2 LEU 18 -30.685 8.995 -9.195 150 H ALA 19 H ALA 19 -28.519 5.504 -9.425 151 HA ALA 19 HA ALA 19 -27.146 3.061 -9.570 152 1HB ALA 19 3HB ALA 19 -26.969 4.008 -11.995 153 2HB ALA 19 2HB ALA 19 -25.761 5.078 -11.286 154 3HB ALA 19 1HB ALA 19 -25.541 3.328 -11.215 155 H ASN 20 H ASN 20 -27.838 5.478 -7.931 156 HA ASN 20 HA ASN 20 -25.136 6.111 -6.946 157 1HB ASN 20 2HB ASN 20 -26.202 8.116 -7.704 158 2HB ASN 20 1HB ASN 20 -27.697 7.710 -6.865 159 1HD2 ASN 20 2HD2 ASN 20 -24.492 9.119 -4.745 160 2HD2 ASN 20 1HD2 ASN 20 -24.261 8.291 -6.244 161 H GLN 21 H GLN 21 -27.609 7.167 -4.931 162 HA GLN 21 HA GLN 21 -27.372 6.483 -2.576 163 1HB GLN 21 2HB GLN 21 -29.678 5.227 -4.068 164 2HB GLN 21 1HB GLN 21 -29.574 5.284 -2.314 165 1HG GLN 21 2HG GLN 21 -29.771 7.608 -4.209 166 2HG GLN 21 1HG GLN 21 -30.973 7.064 -3.040 167 1HE2 GLN 21 2HE2 GLN 21 -27.774 9.296 -1.862 168 2HE2 GLN 21 1HE2 GLN 21 -27.800 8.518 -3.403 169 H CYS 22 H CYS 22 -28.389 3.618 -4.431 170 HA CYS 22 HA CYS 22 -27.449 1.750 -2.559 171 1HB CYS 22 2HB CYS 22 -29.133 1.240 -4.303 172 2HB CYS 22 1HB CYS 22 -27.875 1.358 -5.528 173 H ASN 23 H ASN 23 -26.091 2.287 -5.814 174 HA ASN 23 HA ASN 23 -23.721 0.956 -5.454 175 1HB ASN 23 2HB ASN 23 -24.799 2.702 -7.387 176 2HB ASN 23 1HB ASN 23 -23.249 3.412 -6.948 177 1HD2 ASN 23 2HD2 ASN 23 -21.326 0.727 -8.232 178 2HD2 ASN 23 1HD2 ASN 23 -21.376 1.938 -7.001 179 H TYR 24 H TYR 24 -24.464 4.334 -4.679 180 HA TYR 24 HA TYR 24 -21.970 5.085 -3.659 181 1HB TYR 24 2HB TYR 24 -23.414 6.879 -3.979 182 2HB TYR 24 1HB TYR 24 -24.780 6.040 -3.253 183 HD1 TYR 24 HD1 TYR 24 -21.429 7.397 -2.309 184 HD2 TYR 24 HD2 TYR 24 -25.453 6.670 -1.132 185 HE1 TYR 24 HE1 TYR 24 -21.016 8.575 -0.193 186 HE2 TYR 24 HE2 TYR 24 -25.050 7.849 0.990 187 HH TYR 24 HH TYR 24 -21.857 8.841 1.961 188 H ASP 25 H ASP 25 -24.831 3.762 -2.015 189 HA ASP 25 HA ASP 25 -23.889 3.738 0.584 190 1HB ASP 25 2HB ASP 25 -25.889 2.128 -0.931 191 2HB ASP 25 1HB ASP 25 -25.396 1.519 0.642 192 H CYS 26 H CYS 26 -23.689 1.024 -1.756 193 HA CYS 26 HA CYS 26 -22.079 -0.586 -0.123 194 1HB CYS 26 2HB CYS 26 -22.231 -0.456 -3.144 195 2HB CYS 26 1HB CYS 26 -21.392 -1.717 -2.246 196 H LYS 27 H LYS 27 -21.261 1.861 -2.540 197 HA LYS 27 HA LYS 27 -18.459 1.612 -2.407 198 1HB LYS 27 2HB LYS 27 -19.943 2.931 -4.078 199 2HB LYS 27 1HB LYS 27 -19.832 4.238 -2.907 200 1HG LYS 27 2HG LYS 27 -17.489 4.398 -3.150 201 2HG LYS 27 1HG LYS 27 -17.402 2.873 -4.028 202 1HD LYS 27 2HD LYS 27 -17.309 4.248 -5.831 203 2HD LYS 27 1HD LYS 27 -19.063 4.242 -5.658 204 1HE LYS 27 2HE LYS 27 -17.233 6.289 -4.413 205 2HE LYS 27 1HE LYS 27 -18.080 6.508 -5.943 206 1HZ LYS 27 2HZ LYS 27 -20.050 5.764 -4.240 207 2HZ LYS 27 1HZ LYS 27 -19.067 6.728 -3.257 208 3HZ LYS 27 3HZ LYS 27 -19.700 7.355 -4.696 209 H LEU 28 H LEU 28 -20.266 1.996 0.115 210 HA LEU 28 HA LEU 28 -18.267 3.302 1.698 211 1HB LEU 28 2HB LEU 28 -19.812 5.129 0.696 212 2HB LEU 28 1HB LEU 28 -21.023 4.504 1.800 213 HG LEU 28 HG LEU 28 -19.177 4.899 3.616 214 1HD1 LEU 28 1HD1 LEU 28 -17.486 5.460 1.807 215 2HD1 LEU 28 3HD1 LEU 28 -18.349 6.987 1.621 216 3HD1 LEU 28 2HD1 LEU 28 -17.597 6.581 3.165 217 1HD2 LEU 28 1HD2 LEU 28 -20.925 6.942 2.291 218 2HD2 LEU 28 3HD2 LEU 28 -21.162 6.098 3.821 219 3HD2 LEU 28 2HD2 LEU 28 -19.937 7.360 3.691 220 H ASP 29 H ASP 29 -20.781 3.842 3.543 221 HA ASP 29 HA ASP 29 -21.510 2.741 5.430 222 1HB ASP 29 2HB ASP 29 -22.427 0.924 3.195 223 2HB ASP 29 1HB ASP 29 -23.028 0.835 4.849 224 H LYS 30 H LYS 30 -20.788 -0.146 3.471 225 HA LYS 30 HA LYS 30 -19.395 -1.314 5.749 226 1HB LYS 30 2HB LYS 30 -19.766 -2.669 3.097 227 2HB LYS 30 1HB LYS 30 -19.646 -3.392 4.692 228 1HG LYS 30 2HG LYS 30 -21.980 -1.689 3.851 229 2HG LYS 30 1HG LYS 30 -21.917 -3.430 3.579 230 1HD LYS 30 2HD LYS 30 -21.310 -3.383 6.196 231 2HD LYS 30 1HD LYS 30 -22.272 -1.908 6.100 232 1HE LYS 30 2HE LYS 30 -23.843 -3.551 6.594 233 2HE LYS 30 1HE LYS 30 -23.987 -3.358 4.848 234 1HZ LYS 30 3HZ LYS 30 -22.050 -5.335 5.605 235 2HZ LYS 30 2HZ LYS 30 -23.607 -5.707 6.150 236 3HZ LYS 30 1HZ LYS 30 -23.329 -5.444 4.502 237 H HIS 31 H HIS 31 -18.639 0.497 3.048 238 HA HIS 31 HA HIS 31 -16.615 1.243 2.292 239 1HB HIS 31 2HB HIS 31 -15.154 -0.926 3.761 240 2HB HIS 31 1HB HIS 31 -14.618 0.702 3.362 241 HD1 HIS 31 HD1 HIS 31 -15.134 -1.004 6.242 242 HD2 HIS 31 HD2 HIS 31 -16.866 2.492 4.813 243 HE1 HIS 31 HE1 HIS 31 -15.992 0.200 8.274 244 HE2 HIS 31 HE2 HIS 31 -16.959 2.352 7.394 245 H ALA 32 H ALA 32 -18.114 -0.315 0.713 246 HA ALA 32 HA ALA 32 -16.481 -2.475 -0.356 247 1HB ALA 32 3HB ALA 32 -19.094 -2.388 -0.092 248 2HB ALA 32 2HB ALA 32 -19.010 -1.582 -1.657 249 3HB ALA 32 1HB ALA 32 -18.351 -3.207 -1.465 250 H ARG 33 H ARG 33 -17.889 -1.704 -3.028 251 HA ARG 33 HA ARG 33 -16.159 0.502 -3.864 252 1HB ARG 33 2HB ARG 33 -16.007 -2.320 -4.828 253 2HB ARG 33 1HB ARG 33 -15.779 -1.036 -6.009 254 1HG ARG 33 2HG ARG 33 -14.040 -0.116 -4.340 255 2HG ARG 33 1HG ARG 33 -14.100 -1.733 -3.636 256 1HD ARG 33 2HD ARG 33 -13.587 -2.674 -5.864 257 2HD ARG 33 1HD ARG 33 -13.430 -1.034 -6.490 258 HE ARG 33 HE ARG 33 -11.739 -1.722 -4.230 259 1HH1 ARG 33 1HH2 ARG 33 -12.056 -1.360 -7.678 260 2HH1 ARG 33 2HH2 ARG 33 -10.349 -1.255 -7.955 261 1HH2 ARG 33 2HH1 ARG 33 -9.487 -1.579 -4.583 262 2HH2 ARG 33 1HH1 ARG 33 -8.889 -1.379 -6.196 263 H SER 34 H SER 34 -18.536 -1.889 -5.047 264 HA SER 34 HA SER 34 -20.264 0.252 -5.936 265 1HB SER 34 2HB SER 34 -20.329 -0.987 -8.291 266 2HB SER 34 1HB SER 34 -19.173 0.304 -7.958 267 HG SER 34 HG SER 34 -17.601 -1.088 -8.063 268 H GLY 35 H GLY 35 -22.360 -0.346 -5.827 269 1HA GLY 35 2HA GLY 35 -22.878 -3.191 -5.260 270 2HA GLY 35 1HA GLY 35 -23.863 -1.849 -4.706 271 H GLU 36 H GLU 36 -25.689 -3.012 -5.504 272 HA GLU 36 HA GLU 36 -26.437 -2.184 -8.123 273 1HB GLU 36 2HB GLU 36 -24.870 -4.343 -8.295 274 2HB GLU 36 1HB GLU 36 -26.401 -5.162 -8.006 275 1HG GLU 36 2HG GLU 36 -25.810 -3.220 -10.235 276 2HG GLU 36 1HG GLU 36 -25.939 -4.974 -10.379 277 H CYS 37 H CYS 37 -28.575 -2.026 -8.248 278 HA CYS 37 HA CYS 37 -30.226 -3.175 -6.134 279 1HB CYS 37 2HB CYS 37 -30.840 -1.202 -8.342 280 2HB CYS 37 1HB CYS 37 -32.014 -1.735 -7.142 281 H PHE 38 H PHE 38 -31.356 -5.052 -6.468 282 HA PHE 38 HA PHE 38 -32.356 -5.636 -9.156 283 1HB PHE 38 2HB PHE 38 -31.395 -7.934 -9.115 284 2HB PHE 38 1HB PHE 38 -30.164 -6.673 -9.204 285 HD1 PHE 38 HD2 PHE 38 -28.999 -5.986 -7.091 286 HD2 PHE 38 HD1 PHE 38 -31.392 -9.487 -7.361 287 HE1 PHE 38 HE2 PHE 38 -27.969 -6.840 -5.055 288 HE2 PHE 38 HE1 PHE 38 -30.345 -10.360 -5.313 289 HZ PHE 38 HZ PHE 38 -28.624 -9.028 -4.162 290 H TYR 39 H TYR 39 -34.172 -6.857 -9.209 291 HA TYR 39 HA TYR 39 -35.646 -7.184 -6.791 292 1HB TYR 39 2HB TYR 39 -36.195 -7.860 -9.660 293 2HB TYR 39 1HB TYR 39 -37.316 -8.295 -8.372 294 HD1 TYR 39 HD1 TYR 39 -38.218 -6.406 -6.884 295 HD2 TYR 39 HD2 TYR 39 -36.215 -5.715 -10.584 296 HE1 TYR 39 HE1 TYR 39 -39.217 -4.160 -7.009 297 HE2 TYR 39 HE2 TYR 39 -37.209 -3.469 -10.708 298 HH TYR 39 HH TYR 39 -38.231 -1.833 -9.398 299 H ASP 40 H ASP 40 -36.006 -8.891 -5.580 300 HA ASP 40 HA ASP 40 -35.337 -11.568 -6.506 301 1HB ASP 40 2HB ASP 40 -34.001 -12.002 -4.434 302 2HB ASP 40 1HB ASP 40 -33.232 -10.886 -5.556 303 H GLU 41 H GLU 41 -35.496 -12.863 -4.144 304 HA GLU 41 HA GLU 41 -37.323 -14.011 -3.323 305 1HB GLU 41 2HB GLU 41 -36.076 -12.199 -1.669 306 2HB GLU 41 1HB GLU 41 -37.777 -11.854 -1.394 307 1HG GLU 41 2HG GLU 41 -38.174 -14.190 -0.836 308 2HG GLU 41 1HG GLU 41 -36.475 -14.554 -1.133 309 H LYS 42 H LYS 42 -38.317 -12.795 -5.514 310 HA LYS 42 HA LYS 42 -40.294 -12.378 -6.508 311 1HB LYS 42 2HB LYS 42 -41.542 -12.621 -3.799 312 2HB LYS 42 1HB LYS 42 -42.355 -12.744 -5.349 313 1HG LYS 42 2HG LYS 42 -41.755 -14.892 -5.645 314 2HG LYS 42 1HG LYS 42 -40.125 -14.622 -5.028 315 1HD LYS 42 2HD LYS 42 -41.644 -16.171 -3.696 316 2HD LYS 42 1HD LYS 42 -40.795 -14.904 -2.812 317 1HE LYS 42 2HE LYS 42 -42.705 -13.794 -2.301 318 2HE LYS 42 1HE LYS 42 -43.458 -14.171 -3.851 319 1HZ LYS 42 2HZ LYS 42 -43.762 -16.481 -2.972 320 2HZ LYS 42 1HZ LYS 42 -43.266 -15.914 -1.457 321 3HZ LYS 42 3HZ LYS 42 -44.668 -15.295 -2.176 322 H ARG 43 H ARG 43 -39.535 -10.329 -6.933 323 HA ARG 43 HA ARG 43 -39.731 -8.068 -7.134 324 1HB ARG 43 2HB ARG 43 -42.186 -8.784 -7.098 325 2HB ARG 43 1HB ARG 43 -42.198 -8.221 -5.432 326 1HG ARG 43 2HG ARG 43 -41.290 -6.019 -6.366 327 2HG ARG 43 1HG ARG 43 -41.792 -6.637 -7.941 328 1HD ARG 43 2HD ARG 43 -43.502 -5.213 -6.904 329 2HD ARG 43 1HD ARG 43 -44.065 -6.861 -7.167 330 HE ARG 43 HE ARG 43 -44.079 -7.210 -4.859 331 1HH1 ARG 43 1HH2 ARG 43 -42.902 -4.038 -5.676 332 2HH1 ARG 43 2HH2 ARG 43 -43.038 -3.425 -4.062 333 1HH2 ARG 43 2HH1 ARG 43 -44.268 -6.414 -2.724 334 2HH2 ARG 43 1HH1 ARG 43 -43.815 -4.777 -2.384 335 H ASN 44 H ASN 44 -37.905 -8.673 -5.262 336 HA ASN 44 HA ASN 44 -38.587 -7.219 -2.836 337 1HB ASN 44 2HB ASN 44 -36.401 -9.076 -3.601 338 2HB ASN 44 1HB ASN 44 -36.104 -7.936 -2.292 339 1HD2 ASN 44 2HD2 ASN 44 -39.313 -10.365 -1.647 340 2HD2 ASN 44 1HD2 ASN 44 -39.166 -9.449 -3.105 341 H LEU 45 H LEU 45 -35.880 -7.164 -5.052 342 HA LEU 45 HA LEU 45 -34.682 -5.411 -5.945 343 1HB LEU 45 2HB LEU 45 -37.010 -4.242 -5.807 344 2HB LEU 45 1HB LEU 45 -36.318 -3.431 -4.419 345 HG LEU 45 HG LEU 45 -34.581 -2.445 -5.777 346 1HD1 LEU 45 1HD1 LEU 45 -35.567 -4.380 -7.796 347 2HD1 LEU 45 3HD1 LEU 45 -35.000 -2.814 -8.379 348 3HD1 LEU 45 2HD1 LEU 45 -33.925 -3.846 -7.438 349 1HD2 LEU 45 2HD2 LEU 45 -37.427 -2.123 -6.571 350 2HD2 LEU 45 1HD2 LEU 45 -36.315 -0.965 -5.842 351 3HD2 LEU 45 3HD2 LEU 45 -36.201 -1.331 -7.562 352 H GLN 46 H GLN 46 -33.292 -6.566 -4.304 353 HA GLN 46 HA GLN 46 -32.662 -4.936 -1.972 354 1HB GLN 46 2HB GLN 46 -32.386 -7.726 -2.676 355 2HB GLN 46 1HB GLN 46 -30.838 -7.087 -2.137 356 1HG GLN 46 2HG GLN 46 -31.983 -6.226 -0.101 357 2HG GLN 46 1HG GLN 46 -33.443 -7.061 -0.632 358 1HE2 GLN 46 2HE2 GLN 46 -30.243 -9.196 0.758 359 2HE2 GLN 46 1HE2 GLN 46 -30.032 -7.601 0.129 360 H CYS 47 H CYS 47 -30.031 -5.103 -1.618 361 HA CYS 47 HA CYS 47 -28.849 -3.959 -4.061 362 1HB CYS 47 2HB CYS 47 -29.080 -2.831 -1.347 363 2HB CYS 47 1HB CYS 47 -27.536 -2.580 -2.150 364 H ILE 48 H ILE 48 -27.084 -4.893 -4.717 365 HA ILE 48 HA ILE 48 -25.604 -6.708 -2.992 366 HB ILE 48 HB ILE 48 -25.790 -6.242 -5.924 367 1HG1 ILE 48 2HG1 ILE 48 -26.491 -8.321 -4.210 368 2HG1 ILE 48 1HG1 ILE 48 -26.444 -8.401 -5.962 369 1HG2 ILE 48 2HG2 ILE 48 -23.240 -7.160 -4.627 370 2HG2 ILE 48 1HG2 ILE 48 -23.645 -7.481 -6.314 371 3HG2 ILE 48 3HG2 ILE 48 -23.474 -5.820 -5.751 372 1HD1 ILE 48 3HD1 ILE 48 -24.112 -9.084 -4.207 373 2HD1 ILE 48 2HD1 ILE 48 -25.295 -10.254 -4.789 374 3HD1 ILE 48 1HD1 ILE 48 -24.288 -9.372 -5.936 375 H CYS 49 H CYS 49 -23.283 -6.479 -2.728 376 HA CYS 49 HA CYS 49 -22.239 -3.771 -3.200 377 1HB CYS 49 2HB CYS 49 -22.176 -5.273 -0.582 378 2HB CYS 49 1HB CYS 49 -21.171 -3.869 -0.924 379 H ASP 50 H ASP 50 -20.611 -4.094 -4.556 380 HA ASP 50 HA ASP 50 -18.910 -6.456 -4.264 381 1HB ASP 50 2HB ASP 50 -18.932 -4.341 -6.434 382 2HB ASP 50 1HB ASP 50 -17.980 -5.823 -6.445 383 H TYR 51 H TYR 51 -16.874 -6.407 -3.604 384 HA TYR 51 HA TYR 51 -15.832 -3.856 -2.600 385 1HB TYR 51 2HB TYR 51 -15.259 -6.736 -1.932 386 2HB TYR 51 1HB TYR 51 -14.272 -5.412 -1.317 387 HD1 TYR 51 HD2 TYR 51 -17.914 -6.240 -1.609 388 HD2 TYR 51 HD1 TYR 51 -14.769 -4.738 0.834 389 HE1 TYR 51 HE2 TYR 51 -19.502 -5.950 0.244 390 HE2 TYR 51 HE1 TYR 51 -16.350 -4.445 2.695 391 HH TYR 51 HH TYR 51 -18.788 -4.147 3.012 392 H CYS 52 H CYS 52 -15.260 -6.361 -4.899 393 HA CYS 52 HA CYS 52 -12.917 -4.918 -5.887 394 1HB CYS 52 2HB CYS 52 -12.901 -7.926 -5.739 395 2HB CYS 52 1HB CYS 52 -11.550 -6.839 -6.018 396 H GLU 53 H GLU 53 -13.172 -7.884 -7.352 397 HA GLU 53 HA GLU 53 -15.268 -8.090 -8.967 398 1HB GLU 53 2HB GLU 53 -14.514 -6.817 -11.077 399 2HB GLU 53 1HB GLU 53 -15.329 -5.912 -9.815 400 1HG GLU 53 2HG GLU 53 -12.558 -5.811 -9.236 401 2HG GLU 53 1HG GLU 53 -12.732 -5.490 -10.958 402 H TYR 54 HN TYR 54 -12.739 -7.329 -11.084 403 HA TYR 54 HA TYR 54 -12.159 -10.152 -11.478 404 1HB TYR 54 2HB TYR 54 -11.361 -7.707 -13.068 405 2HB TYR 54 1HB TYR 54 -10.992 -9.369 -13.522 406 HD1 TYR 54 HD1 TYR 54 -12.927 -10.951 -13.940 407 HD2 TYR 54 HD2 TYR 54 -13.428 -6.739 -13.639 408 HE1 TYR 54 HE1 TYR 54 -15.096 -11.135 -15.072 409 HE2 TYR 54 HE2 TYR 54 -15.601 -6.909 -14.775 410 HH TYR 54 HH TYR 54 -16.790 -8.419 -16.264 No H/Q in entry = 410 Start of MODEL 17 1 HN PCA 1 HN PCA 1 -18.884 -18.979 -8.201 2 HA PCA 1 HA PCA 1 -17.492 -20.849 -7.214 3 1HB PCA 1 1HB PCA 1 -15.399 -20.972 -8.069 4 2HB PCA 1 2HB PCA 1 -14.955 -19.521 -7.141 5 1HG PCA 1 1HG PCA 1 -15.380 -19.730 -9.972 6 2HG PCA 1 2HG PCA 1 -15.070 -18.254 -9.038 7 H ASP 2 H ASP 2 -17.333 -17.383 -6.864 8 HA ASP 2 HA ASP 2 -17.754 -17.641 -4.000 9 1HB ASP 2 2HB ASP 2 -15.964 -15.697 -3.789 10 2HB ASP 2 1HB ASP 2 -15.480 -17.389 -3.746 11 H LYS 3 H LYS 3 -18.633 -15.738 -3.035 12 HA LYS 3 HA LYS 3 -19.916 -13.964 -5.001 13 1HB LYS 3 2HB LYS 3 -20.999 -15.459 -2.940 14 2HB LYS 3 1HB LYS 3 -20.938 -13.844 -2.252 15 1HG LYS 3 2HG LYS 3 -23.016 -13.865 -3.224 16 2HG LYS 3 1HG LYS 3 -22.040 -13.132 -4.496 17 1HD LYS 3 2HD LYS 3 -21.936 -15.188 -5.705 18 2HD LYS 3 1HD LYS 3 -22.658 -16.080 -4.363 19 1HE LYS 3 2HE LYS 3 -24.183 -15.524 -6.315 20 2HE LYS 3 1HE LYS 3 -24.767 -15.100 -4.706 21 1HZ LYS 3 2HZ LYS 3 -23.322 -12.928 -5.721 22 2HZ LYS 3 1HZ LYS 3 -24.410 -13.423 -6.918 23 3HZ LYS 3 3HZ LYS 3 -24.975 -13.015 -5.376 24 H CYS 4 H CYS 4 -18.968 -12.065 -5.246 25 HA CYS 4 HA CYS 4 -17.498 -10.864 -3.016 26 1HB CYS 4 2HB CYS 4 -17.426 -10.601 -5.976 27 2HB CYS 4 1HB CYS 4 -17.019 -9.166 -5.040 28 H LYS 5 H LYS 5 -20.554 -10.876 -4.119 29 HA LYS 5 HA LYS 5 -21.058 -8.077 -3.337 30 1HB LYS 5 2HB LYS 5 -23.031 -9.618 -4.967 31 2HB LYS 5 1HB LYS 5 -22.731 -7.886 -4.920 32 1HG LYS 5 2HG LYS 5 -21.941 -8.507 -7.001 33 2HG LYS 5 1HG LYS 5 -20.483 -8.440 -6.013 34 1HD LYS 5 2HD LYS 5 -20.048 -10.512 -6.778 35 2HD LYS 5 1HD LYS 5 -21.325 -11.057 -5.690 36 1HE LYS 5 2HE LYS 5 -22.952 -10.953 -7.451 37 2HE LYS 5 1HE LYS 5 -21.792 -10.193 -8.540 38 1HZ LYS 5 3HZ LYS 5 -20.437 -12.270 -8.301 39 2HZ LYS 5 2HZ LYS 5 -21.765 -12.978 -7.527 40 3HZ LYS 5 1HZ LYS 5 -21.899 -12.457 -9.130 41 H LYS 6 H LYS 6 -22.237 -7.803 -1.526 42 HA LYS 6 HA LYS 6 -23.962 -10.034 -0.644 43 1HB LYS 6 2HB LYS 6 -22.598 -8.491 1.493 44 2HB LYS 6 1HB LYS 6 -22.998 -10.202 1.415 45 1HG LYS 6 2HG LYS 6 -20.736 -8.903 -0.087 46 2HG LYS 6 1HG LYS 6 -20.572 -9.736 1.458 47 1HD LYS 6 2HD LYS 6 -21.968 -11.339 -0.551 48 2HD LYS 6 1HD LYS 6 -20.334 -10.897 -1.046 49 1HE LYS 6 2HE LYS 6 -20.576 -13.074 0.209 50 2HE LYS 6 1HE LYS 6 -19.380 -11.944 0.841 51 1HZ LYS 6 1HZ LYS 6 -21.719 -11.319 2.136 52 2HZ LYS 6 3HZ LYS 6 -21.693 -13.011 2.108 53 3HZ LYS 6 2HZ LYS 6 -20.400 -12.155 2.785 54 H VAL 7 H VAL 7 -25.881 -9.506 0.222 55 HA VAL 7 HA VAL 7 -26.992 -6.969 -0.240 56 HB VAL 7 HB VAL 7 -28.985 -7.841 0.471 57 1HG1 VAL 7 2HG1 VAL 7 -27.710 -9.453 -1.077 58 2HG1 VAL 7 1HG1 VAL 7 -27.577 -10.483 0.346 59 3HG1 VAL 7 3HG1 VAL 7 -29.166 -10.038 -0.275 60 1HG2 VAL 7 3HG2 VAL 7 -27.411 -9.123 2.668 61 2HG2 VAL 7 2HG2 VAL 7 -28.808 -8.050 2.766 62 3HG2 VAL 7 1HG2 VAL 7 -29.020 -9.728 2.271 63 H TYR 8 H TYR 8 -27.582 -5.296 1.182 64 HA TYR 8 HA TYR 8 -25.879 -5.115 3.540 65 1HB TYR 8 2HB TYR 8 -25.768 -3.185 2.147 66 2HB TYR 8 1HB TYR 8 -27.520 -3.087 2.023 67 HD1 TYR 8 HD2 TYR 8 -25.892 -3.717 5.259 68 HD2 TYR 8 HD1 TYR 8 -27.561 -0.761 2.691 69 HE1 TYR 8 HE2 TYR 8 -25.943 -2.131 7.128 70 HE2 TYR 8 HE1 TYR 8 -27.613 0.836 4.559 71 HH TYR 8 HH TYR 8 -26.686 -0.137 7.832 72 H GLU 9 H GLU 9 -27.913 -6.948 3.787 73 HA GLU 9 HA GLU 9 -30.048 -7.318 4.739 74 1HB GLU 9 2HB GLU 9 -29.536 -7.105 7.303 75 2HB GLU 9 1HB GLU 9 -28.691 -8.285 6.312 76 1HG GLU 9 2HG GLU 9 -26.825 -6.661 6.075 77 2HG GLU 9 1HG GLU 9 -27.661 -5.609 7.218 78 H ASN 10 H ASN 10 -31.206 -5.489 3.852 79 HA ASN 10 HA ASN 10 -33.027 -4.151 4.480 80 1HB ASN 10 2HB ASN 10 -31.353 -2.999 6.716 81 2HB ASN 10 1HB ASN 10 -33.071 -2.782 6.435 82 1HD2 ASN 10 2HD2 ASN 10 -33.524 -6.411 7.252 83 2HD2 ASN 10 1HD2 ASN 10 -33.632 -5.503 5.784 84 H TYR 11 H TYR 11 -33.476 -2.114 3.737 85 HA TYR 11 HA TYR 11 -31.669 -0.004 3.447 86 1HB TYR 11 2HB TYR 11 -30.605 -1.653 1.840 87 2HB TYR 11 1HB TYR 11 -32.044 -1.478 0.840 88 HD1 TYR 11 HD1 TYR 11 -29.391 0.573 2.474 89 HD2 TYR 11 HD2 TYR 11 -32.090 0.182 -0.790 90 HE1 TYR 11 HE1 TYR 11 -28.404 2.567 1.429 91 HE2 TYR 11 HE2 TYR 11 -31.112 2.178 -1.844 92 HH TYR 11 HH TYR 11 -29.445 3.672 -1.770 93 HA PRO 12 HA PRO 12 -35.761 1.845 3.026 94 1HB PRO 12 2HB PRO 12 -34.100 3.874 1.575 95 2HB PRO 12 1HB PRO 12 -35.373 4.118 2.777 96 1HG PRO 12 2HG PRO 12 -32.790 4.298 3.438 97 2HG PRO 12 1HG PRO 12 -33.987 3.607 4.549 98 1HD PRO 12 2HD PRO 12 -31.859 2.260 2.995 99 2HD PRO 12 1HD PRO 12 -32.658 1.753 4.495 100 H VAL 13 H VAL 13 -36.319 0.103 1.493 101 HA VAL 13 HA VAL 13 -35.740 0.105 -1.225 102 HB VAL 13 HB VAL 13 -38.475 -0.675 -0.300 103 1HG1 VAL 13 3HG1 VAL 13 -37.675 -0.935 -2.671 104 2HG1 VAL 13 2HG1 VAL 13 -36.523 -2.129 -2.070 105 3HG1 VAL 13 1HG1 VAL 13 -38.257 -2.413 -1.903 106 1HG2 VAL 13 2HG2 VAL 13 -35.884 -1.926 0.530 107 2HG2 VAL 13 1HG2 VAL 13 -37.309 -1.563 1.505 108 3HG2 VAL 13 3HG2 VAL 13 -37.343 -2.902 0.356 109 H SER 14 H SER 14 -35.804 2.083 -2.207 110 HA SER 14 HA SER 14 -38.258 2.989 -3.241 111 1HB SER 14 2HB SER 14 -38.003 5.353 -2.108 112 2HB SER 14 1HB SER 14 -38.878 4.061 -1.286 113 HG SER 14 HG SER 14 -37.508 4.664 0.243 114 H LYS 15 H LYS 15 -35.352 4.769 -2.164 115 HA LYS 15 HA LYS 15 -35.023 6.095 -4.637 116 1HB LYS 15 2HB LYS 15 -33.008 5.599 -2.432 117 2HB LYS 15 1HB LYS 15 -32.791 6.726 -3.764 118 1HG LYS 15 2HG LYS 15 -33.631 8.265 -2.366 119 2HG LYS 15 1HG LYS 15 -35.194 7.534 -2.730 120 1HD LYS 15 2HD LYS 15 -35.232 7.496 -0.436 121 2HD LYS 15 1HD LYS 15 -34.530 5.911 -0.768 122 1HE LYS 15 2HE LYS 15 -33.212 6.893 0.942 123 2HE LYS 15 1HE LYS 15 -32.266 6.992 -0.542 124 1HZ LYS 15 1HZ LYS 15 -33.147 9.312 -0.768 125 2HZ LYS 15 3HZ LYS 15 -33.757 9.172 0.804 126 3HZ LYS 15 2HZ LYS 15 -32.090 9.072 0.531 127 H CYS 16 H CYS 16 -34.025 3.018 -3.450 128 HA CYS 16 HA CYS 16 -31.927 2.497 -5.276 129 1HB CYS 16 2HB CYS 16 -33.147 1.186 -3.090 130 2HB CYS 16 1HB CYS 16 -33.262 0.079 -4.449 131 H GLN 17 H GLN 17 -32.617 3.045 -7.316 132 HA GLN 17 HA GLN 17 -34.106 1.008 -8.705 133 1HB GLN 17 2HB GLN 17 -35.200 3.782 -8.344 134 2HB GLN 17 1HB GLN 17 -35.602 2.835 -9.769 135 1HG GLN 17 2HG GLN 17 -36.377 1.025 -8.186 136 2HG GLN 17 1HG GLN 17 -36.235 2.223 -6.900 137 1HE2 GLN 17 2HE2 GLN 17 -39.118 2.690 -9.775 138 2HE2 GLN 17 1HE2 GLN 17 -37.651 1.853 -10.134 139 H LEU 18 H LEU 18 -31.420 2.479 -8.692 140 HA LEU 18 HA LEU 18 -31.070 2.479 -11.520 141 1HB LEU 18 2HB LEU 18 -30.123 5.082 -10.830 142 2HB LEU 18 1HB LEU 18 -31.326 4.648 -12.023 143 HG LEU 18 HG LEU 18 -33.104 4.930 -10.435 144 1HD1 LEU 18 3HD1 LEU 18 -31.016 4.551 -8.476 145 2HD1 LEU 18 2HD1 LEU 18 -31.911 6.030 -8.141 146 3HD1 LEU 18 1HD1 LEU 18 -32.765 4.497 -8.278 147 1HD2 LEU 18 1HD2 LEU 18 -31.078 7.129 -10.577 148 2HD2 LEU 18 3HD2 LEU 18 -32.611 6.962 -11.433 149 3HD2 LEU 18 2HD2 LEU 18 -32.598 7.349 -9.712 150 H ALA 19 H ALA 19 -29.389 4.478 -9.118 151 HA ALA 19 HA ALA 19 -27.332 2.674 -8.454 152 1HB ALA 19 3HB ALA 19 -26.709 4.530 -10.749 153 2HB ALA 19 2HB ALA 19 -25.499 3.649 -9.818 154 3HB ALA 19 1HB ALA 19 -26.689 2.768 -10.773 155 H ASN 20 H ASN 20 -25.176 4.495 -8.343 156 HA ASN 20 HA ASN 20 -24.315 6.082 -6.984 157 1HB ASN 20 2HB ASN 20 -25.766 7.546 -8.446 158 2HB ASN 20 1HB ASN 20 -26.996 7.461 -7.188 159 1HD2 ASN 20 2HD2 ASN 20 -24.868 9.253 -4.833 160 2HD2 ASN 20 1HD2 ASN 20 -25.738 7.763 -4.904 161 H GLN 21 H GLN 21 -27.732 6.188 -5.952 162 HA GLN 21 HA GLN 21 -27.420 6.478 -3.286 163 1HB GLN 21 2HB GLN 21 -29.344 4.444 -4.422 164 2HB GLN 21 1HB GLN 21 -29.528 5.384 -2.948 165 1HG GLN 21 2HG GLN 21 -29.409 6.626 -5.681 166 2HG GLN 21 1HG GLN 21 -30.911 6.124 -4.906 167 1HE2 GLN 21 2HE2 GLN 21 -28.871 9.391 -3.546 168 2HE2 GLN 21 1HE2 GLN 21 -28.081 8.191 -4.505 169 H CYS 22 H CYS 22 -28.049 3.203 -4.491 170 HA CYS 22 HA CYS 22 -26.923 1.896 -2.286 171 1HB CYS 22 2HB CYS 22 -28.481 1.035 -4.212 172 2HB CYS 22 1HB CYS 22 -26.962 0.626 -5.001 173 H ASN 23 H ASN 23 -25.587 2.613 -5.481 174 HA ASN 23 HA ASN 23 -23.140 1.342 -5.270 175 1HB ASN 23 2HB ASN 23 -24.353 2.797 -7.185 176 2HB ASN 23 1HB ASN 23 -23.169 3.983 -6.636 177 1HD2 ASN 23 2HD2 ASN 23 -20.608 1.261 -7.342 178 2HD2 ASN 23 1HD2 ASN 23 -21.313 1.798 -5.860 179 H TYR 24 H TYR 24 -23.350 4.888 -5.053 180 HA TYR 24 HA TYR 24 -20.943 5.316 -3.799 181 1HB TYR 24 2HB TYR 24 -21.665 7.406 -4.205 182 2HB TYR 24 1HB TYR 24 -23.330 6.857 -4.326 183 HD1 TYR 24 HD2 TYR 24 -20.759 7.545 -1.723 184 HD2 TYR 24 HD1 TYR 24 -24.856 7.725 -2.830 185 HE1 TYR 24 HE2 TYR 24 -21.269 8.674 0.390 186 HE2 TYR 24 HE1 TYR 24 -25.385 8.854 -0.715 187 HH TYR 24 HH TYR 24 -24.477 9.135 1.506 188 H ASP 25 H ASP 25 -24.080 4.639 -2.263 189 HA ASP 25 HA ASP 25 -23.391 5.009 0.384 190 1HB ASP 25 2HB ASP 25 -25.244 3.038 -0.928 191 2HB ASP 25 1HB ASP 25 -25.019 3.048 0.818 192 H CYS 26 H CYS 26 -23.219 1.877 -1.337 193 HA CYS 26 HA CYS 26 -21.845 0.560 0.695 194 1HB CYS 26 2HB CYS 26 -21.618 0.105 -2.293 195 2HB CYS 26 1HB CYS 26 -21.090 -1.024 -1.051 196 H LYS 27 H LYS 27 -20.708 2.555 -1.961 197 HA LYS 27 HA LYS 27 -17.958 2.136 -1.698 198 1HB LYS 27 2HB LYS 27 -19.279 3.376 -3.534 199 2HB LYS 27 1HB LYS 27 -19.136 4.782 -2.490 200 1HG LYS 27 2HG LYS 27 -17.110 5.192 -3.335 201 2HG LYS 27 1HG LYS 27 -16.544 3.652 -2.691 202 1HD LYS 27 2HD LYS 27 -16.061 3.542 -4.977 203 2HD LYS 27 1HD LYS 27 -17.551 2.612 -4.808 204 1HE LYS 27 2HE LYS 27 -18.798 4.709 -5.417 205 2HE LYS 27 1HE LYS 27 -17.239 5.432 -5.814 206 1HZ LYS 27 3HZ LYS 27 -17.422 2.943 -7.089 207 2HZ LYS 27 2HZ LYS 27 -18.841 3.803 -7.418 208 3HZ LYS 27 1HZ LYS 27 -17.336 4.480 -7.792 209 H LEU 28 H LEU 28 -19.801 3.069 0.768 210 HA LEU 28 HA LEU 28 -17.597 4.264 2.162 211 1HB LEU 28 2HB LEU 28 -18.794 6.117 0.791 212 2HB LEU 28 1HB LEU 28 -20.040 5.994 2.018 213 HG LEU 28 HG LEU 28 -17.237 6.375 2.956 214 1HD1 LEU 28 3HD1 LEU 28 -18.824 8.421 1.456 215 2HD1 LEU 28 2HD1 LEU 28 -17.734 8.905 2.757 216 3HD1 LEU 28 1HD1 LEU 28 -17.104 8.043 1.354 217 1HD2 LEU 28 3HD2 LEU 28 -19.494 6.159 4.298 218 2HD2 LEU 28 2HD2 LEU 28 -18.222 7.263 4.820 219 3HD2 LEU 28 1HD2 LEU 28 -19.613 7.880 3.928 220 H ASP 29 H ASP 29 -20.876 3.118 2.069 221 HA ASP 29 HA ASP 29 -21.426 3.362 4.850 222 1HB ASP 29 2HB ASP 29 -22.650 1.774 2.608 223 2HB ASP 29 1HB ASP 29 -23.170 1.531 4.273 224 H LYS 30 H LYS 30 -20.451 0.602 2.823 225 HA LYS 30 HA LYS 30 -19.605 -0.820 5.264 226 1HB LYS 30 2HB LYS 30 -20.106 -2.040 2.552 227 2HB LYS 30 1HB LYS 30 -19.921 -2.875 4.088 228 1HG LYS 30 2HG LYS 30 -22.153 -0.926 3.733 229 2HG LYS 30 1HG LYS 30 -22.281 -2.547 3.046 230 1HD LYS 30 2HD LYS 30 -21.432 -2.237 5.888 231 2HD LYS 30 1HD LYS 30 -23.138 -2.050 5.474 232 1HE LYS 30 2HE LYS 30 -21.407 -4.445 4.867 233 2HE LYS 30 1HE LYS 30 -22.644 -4.348 6.121 234 1HZ LYS 30 2HZ LYS 30 -23.613 -3.646 3.510 235 2HZ LYS 30 1HZ LYS 30 -23.032 -5.232 3.590 236 3HZ LYS 30 3HZ LYS 30 -24.253 -4.726 4.645 237 H HIS 31 H HIS 31 -18.363 1.036 2.892 238 HA HIS 31 HA HIS 31 -16.253 1.423 2.136 239 1HB HIS 31 2HB HIS 31 -15.050 -0.779 3.746 240 2HB HIS 31 1HB HIS 31 -14.487 0.870 3.494 241 HD1 HIS 31 HD1 HIS 31 -14.739 -0.592 6.297 242 HD2 HIS 31 HD2 HIS 31 -17.422 2.156 4.710 243 HE1 HIS 31 HE1 HIS 31 -15.952 0.383 8.273 244 HE2 HIS 31 HE2 HIS 31 -17.532 2.083 7.293 245 H ALA 32 H ALA 32 -17.913 -0.256 0.675 246 HA ALA 32 HA ALA 32 -16.384 -2.571 -0.161 247 1HB ALA 32 1HB ALA 32 -18.983 -2.281 -0.019 248 2HB ALA 32 3HB ALA 32 -18.789 -1.608 -1.638 249 3HB ALA 32 2HB ALA 32 -18.258 -3.254 -1.298 250 H ARG 33 H ARG 33 -16.502 -2.823 -2.745 251 HA ARG 33 HA ARG 33 -14.872 -0.617 -3.764 252 1HB ARG 33 2HB ARG 33 -15.023 -3.515 -4.248 253 2HB ARG 33 1HB ARG 33 -14.824 -2.567 -5.713 254 1HG ARG 33 2HG ARG 33 -12.671 -3.219 -4.899 255 2HG ARG 33 1HG ARG 33 -12.857 -1.476 -4.690 256 1HD ARG 33 2HD ARG 33 -13.012 -1.628 -2.403 257 2HD ARG 33 1HD ARG 33 -13.610 -3.286 -2.447 258 HE ARG 33 HE ARG 33 -10.849 -2.823 -3.265 259 1HH1 ARG 33 1HH2 ARG 33 -13.101 -3.932 -0.855 260 2HH1 ARG 33 2HH2 ARG 33 -11.911 -4.818 0.040 261 1HH2 ARG 33 2HH1 ARG 33 -9.269 -3.983 -2.095 262 2HH2 ARG 33 1HH1 ARG 33 -9.732 -4.847 -0.666 263 H SER 34 H SER 34 -18.020 -1.726 -3.848 264 HA SER 34 HA SER 34 -19.010 0.250 -5.496 265 1HB SER 34 2HB SER 34 -19.633 -1.724 -7.362 266 2HB SER 34 1HB SER 34 -18.435 -0.448 -7.573 267 HG SER 34 HG SER 34 -16.856 -1.837 -7.207 268 H GLY 35 H GLY 35 -21.246 -0.861 -6.618 269 1HA GLY 35 2HA GLY 35 -22.534 -2.875 -5.192 270 2HA GLY 35 1HA GLY 35 -22.831 -1.375 -4.328 271 H GLU 36 H GLU 36 -24.944 -2.695 -5.244 272 HA GLU 36 HA GLU 36 -26.299 -0.824 -6.791 273 1HB GLU 36 2HB GLU 36 -24.727 -2.611 -8.348 274 2HB GLU 36 1HB GLU 36 -26.391 -3.119 -8.563 275 1HG GLU 36 2HG GLU 36 -26.727 -1.482 -10.038 276 2HG GLU 36 1HG GLU 36 -26.273 -0.267 -8.855 277 H CYS 37 H CYS 37 -28.534 -1.378 -7.058 278 HA CYS 37 HA CYS 37 -29.367 -3.363 -5.114 279 1HB CYS 37 2HB CYS 37 -30.460 -0.904 -6.193 280 2HB CYS 37 1HB CYS 37 -31.662 -2.190 -6.216 281 H PHE 38 H PHE 38 -30.441 -5.230 -5.549 282 HA PHE 38 HA PHE 38 -31.348 -5.763 -8.271 283 1HB PHE 38 2HB PHE 38 -29.276 -7.444 -6.848 284 2HB PHE 38 1HB PHE 38 -30.130 -7.949 -8.302 285 HD1 PHE 38 HD1 PHE 38 -30.044 -6.046 -10.223 286 HD2 PHE 38 HD2 PHE 38 -27.158 -6.638 -7.151 287 HE1 PHE 38 HE1 PHE 38 -28.343 -4.938 -11.613 288 HE2 PHE 38 HE2 PHE 38 -25.452 -5.530 -8.533 289 HZ PHE 38 HZ PHE 38 -26.044 -4.676 -10.766 290 H TYR 39 H TYR 39 -32.628 -7.738 -8.439 291 HA TYR 39 HA TYR 39 -34.426 -8.002 -6.252 292 1HB TYR 39 2HB TYR 39 -34.135 -9.376 -8.904 293 2HB TYR 39 1HB TYR 39 -35.289 -9.963 -7.710 294 HD1 TYR 39 HD2 TYR 39 -34.389 -7.065 -9.823 295 HD2 TYR 39 HD1 TYR 39 -37.334 -8.847 -7.331 296 HE1 TYR 39 HE2 TYR 39 -36.030 -5.399 -10.587 297 HE2 TYR 39 HE1 TYR 39 -38.989 -7.189 -8.087 298 HH TYR 39 HH TYR 39 -39.375 -5.430 -9.380 299 H ASP 40 H ASP 40 -35.017 -10.699 -6.051 300 HA ASP 40 HA ASP 40 -32.629 -12.197 -5.533 301 1HB ASP 40 2HB ASP 40 -32.493 -12.137 -3.241 302 2HB ASP 40 1HB ASP 40 -33.016 -10.490 -3.574 303 H GLU 41 H GLU 41 -32.962 -14.287 -4.764 304 HA GLU 41 HA GLU 41 -34.076 -16.226 -5.572 305 1HB GLU 41 2HB GLU 41 -35.289 -15.529 -2.906 306 2HB GLU 41 1HB GLU 41 -35.050 -17.142 -3.566 307 1HG GLU 41 2HG GLU 41 -32.852 -15.207 -2.871 308 2HG GLU 41 1HG GLU 41 -33.383 -16.556 -1.867 309 H LYS 42 H LYS 42 -36.658 -14.432 -3.890 310 HA LYS 42 HA LYS 42 -38.596 -15.644 -5.670 311 1HB LYS 42 2HB LYS 42 -39.067 -15.590 -3.298 312 2HB LYS 42 1HB LYS 42 -38.917 -13.840 -3.273 313 1HG LYS 42 2HG LYS 42 -41.043 -13.549 -3.922 314 2HG LYS 42 1HG LYS 42 -40.888 -14.737 -5.216 315 1HD LYS 42 2HD LYS 42 -41.209 -15.535 -2.333 316 2HD LYS 42 1HD LYS 42 -42.591 -15.227 -3.384 317 1HE LYS 42 2HE LYS 42 -42.255 -17.116 -4.607 318 2HE LYS 42 1HE LYS 42 -40.503 -17.057 -4.420 319 1HZ LYS 42 2HZ LYS 42 -42.331 -17.774 -2.201 320 2HZ LYS 42 1HZ LYS 42 -41.660 -18.924 -3.246 321 3HZ LYS 42 3HZ LYS 42 -40.653 -17.977 -2.269 322 H ARG 43 H ARG 43 -37.913 -12.280 -4.655 323 HA ARG 43 HA ARG 43 -37.771 -11.054 -7.045 324 1HB ARG 43 2HB ARG 43 -40.525 -11.956 -6.569 325 2HB ARG 43 1HB ARG 43 -40.443 -10.232 -6.856 326 1HG ARG 43 2HG ARG 43 -38.889 -11.222 -8.905 327 2HG ARG 43 1HG ARG 43 -40.123 -12.464 -8.730 328 1HD ARG 43 2HD ARG 43 -41.148 -11.062 -10.215 329 2HD ARG 43 1HD ARG 43 -41.746 -10.398 -8.697 330 HE ARG 43 HE ARG 43 -39.611 -8.887 -9.051 331 1HH1 ARG 43 1HH2 ARG 43 -42.007 -9.905 -11.366 332 2HH1 ARG 43 2HH2 ARG 43 -41.816 -8.507 -12.371 333 1HH2 ARG 43 2HH1 ARG 43 -39.350 -7.045 -10.371 334 2HH2 ARG 43 1HH1 ARG 43 -40.305 -6.883 -11.807 335 H ASN 44 H ASN 44 -37.112 -10.820 -4.233 336 HA ASN 44 HA ASN 44 -38.340 -8.283 -3.454 337 1HB ASN 44 2HB ASN 44 -36.542 -10.226 -2.013 338 2HB ASN 44 1HB ASN 44 -36.875 -8.621 -1.377 339 1HD2 ASN 44 2HD2 ASN 44 -40.307 -10.712 -1.872 340 2HD2 ASN 44 1HD2 ASN 44 -39.257 -10.354 -3.196 341 H LEU 45 H LEU 45 -37.308 -6.366 -3.489 342 HA LEU 45 HA LEU 45 -34.779 -6.236 -4.905 343 1HB LEU 45 2HB LEU 45 -36.835 -4.741 -5.281 344 2HB LEU 45 1HB LEU 45 -36.339 -3.906 -3.824 345 HG LEU 45 HG LEU 45 -35.628 -2.805 -5.946 346 1HD1 LEU 45 3HD1 LEU 45 -34.416 -2.699 -3.657 347 2HD1 LEU 45 2HD1 LEU 45 -33.169 -3.640 -4.473 348 3HD1 LEU 45 1HD1 LEU 45 -33.628 -2.055 -5.095 349 1HD2 LEU 45 3HD2 LEU 45 -35.094 -5.145 -6.972 350 2HD2 LEU 45 2HD2 LEU 45 -34.138 -3.734 -7.427 351 3HD2 LEU 45 1HD2 LEU 45 -33.509 -4.882 -6.244 352 H GLN 46 H GLN 46 -32.844 -5.817 -4.018 353 HA GLN 46 HA GLN 46 -32.716 -4.762 -1.286 354 1HB GLN 46 2HB GLN 46 -31.349 -7.309 -2.170 355 2HB GLN 46 1HB GLN 46 -31.107 -6.510 -0.622 356 1HG GLN 46 2HG GLN 46 -33.386 -6.926 0.011 357 2HG GLN 46 1HG GLN 46 -33.750 -7.580 -1.585 358 1HE2 GLN 46 2HE2 GLN 46 -31.534 -9.802 1.051 359 2HE2 GLN 46 1HE2 GLN 46 -31.522 -8.076 1.136 360 H CYS 47 H CYS 47 -30.473 -4.232 -0.630 361 HA CYS 47 HA CYS 47 -29.076 -2.974 -2.870 362 1HB CYS 47 2HB CYS 47 -29.733 -2.168 -0.232 363 2HB CYS 47 1HB CYS 47 -27.977 -2.257 -0.306 364 H ILE 48 H ILE 48 -27.624 -4.343 -3.762 365 HA ILE 48 HA ILE 48 -25.991 -6.044 -2.040 366 HB ILE 48 HB ILE 48 -25.714 -5.996 -5.012 367 1HG1 ILE 48 2HG1 ILE 48 -28.074 -6.101 -4.853 368 2HG1 ILE 48 1HG1 ILE 48 -27.550 -7.771 -5.026 369 1HG2 ILE 48 3HG2 ILE 48 -24.308 -7.364 -3.361 370 2HG2 ILE 48 2HG2 ILE 48 -25.749 -8.364 -3.177 371 3HG2 ILE 48 1HG2 ILE 48 -24.988 -8.197 -4.759 372 1HD1 ILE 48 3HD1 ILE 48 -27.606 -7.594 -2.359 373 2HD1 ILE 48 2HD1 ILE 48 -28.850 -6.414 -2.764 374 3HD1 ILE 48 1HD1 ILE 48 -28.992 -8.078 -3.333 375 H CYS 49 H CYS 49 -24.075 -5.422 -1.344 376 HA CYS 49 HA CYS 49 -22.674 -3.226 -2.683 377 1HB CYS 49 2HB CYS 49 -22.196 -4.585 -0.021 378 2HB CYS 49 1HB CYS 49 -21.204 -3.280 -0.661 379 H ASP 50 H ASP 50 -21.052 -3.611 -4.041 380 HA ASP 50 HA ASP 50 -19.929 -6.306 -4.192 381 1HB ASP 50 2HB ASP 50 -20.670 -5.490 -6.303 382 2HB ASP 50 1HB ASP 50 -19.849 -3.948 -6.071 383 H TYR 51 H TYR 51 -17.881 -6.821 -3.810 384 HA TYR 51 HA TYR 51 -16.126 -4.713 -2.737 385 1HB TYR 51 2HB TYR 51 -16.355 -7.643 -2.155 386 2HB TYR 51 1HB TYR 51 -14.984 -6.685 -1.615 387 HD1 TYR 51 HD2 TYR 51 -15.293 -4.942 0.095 388 HD2 TYR 51 HD1 TYR 51 -18.507 -7.451 -1.113 389 HE1 TYR 51 HE2 TYR 51 -16.560 -4.270 2.093 390 HE2 TYR 51 HE1 TYR 51 -19.784 -6.790 0.879 391 HH TYR 51 HH TYR 51 -18.581 -5.529 3.501 392 H CYS 52 H CYS 52 -16.526 -6.784 -5.373 393 HA CYS 52 HA CYS 52 -13.699 -6.435 -6.124 394 1HB CYS 52 2HB CYS 52 -15.185 -8.947 -6.831 395 2HB CYS 52 1HB CYS 52 -13.450 -8.653 -6.833 396 H GLU 53 H GLU 53 -16.979 -7.196 -7.258 397 HA GLU 53 HA GLU 53 -18.104 -6.333 -9.074 398 1HB GLU 53 2HB GLU 53 -16.315 -4.424 -8.853 399 2HB GLU 53 1HB GLU 53 -15.589 -5.208 -10.250 400 1HG GLU 53 2HG GLU 53 -17.000 -3.416 -10.981 401 2HG GLU 53 1HG GLU 53 -17.704 -4.956 -11.468 402 H TYR 54 HN TYR 54 -14.807 -7.091 -10.183 403 HA TYR 54 HA TYR 54 -15.252 -9.602 -11.213 404 1HB TYR 54 2HB TYR 54 -16.621 -7.705 -12.773 405 2HB TYR 54 1HB TYR 54 -15.180 -8.091 -13.701 406 HD1 TYR 54 HD2 TYR 54 -17.368 -10.214 -11.529 407 HD2 TYR 54 HD1 TYR 54 -15.795 -9.492 -15.415 408 HE1 TYR 54 HE2 TYR 54 -18.435 -12.277 -12.338 409 HE2 TYR 54 HE1 TYR 54 -16.859 -11.552 -16.236 410 HH TYR 54 HH TYR 54 -17.632 -13.845 -14.993 No H/Q in entry = 410 Start of MODEL 18 1 HN PCA 1 HN PCA 1 -16.470 -14.906 1.771 2 HA PCA 1 HA PCA 1 -14.024 -15.029 1.014 3 1HB PCA 1 1HB PCA 1 -12.779 -16.669 1.952 4 2HB PCA 1 2HB PCA 1 -13.850 -17.923 1.283 5 1HG PCA 1 1HG PCA 1 -13.792 -16.815 3.982 6 2HG PCA 1 2HG PCA 1 -14.766 -18.162 3.362 7 H ASP 2 H ASP 2 -13.258 -16.422 -0.925 8 HA ASP 2 HA ASP 2 -13.705 -16.813 -3.138 9 1HB ASP 2 2HB ASP 2 -13.995 -19.036 -1.950 10 2HB ASP 2 1HB ASP 2 -15.732 -18.757 -2.030 11 H LYS 3 H LYS 3 -15.177 -14.621 -2.128 12 HA LYS 3 HA LYS 3 -17.099 -14.315 -4.185 13 1HB LYS 3 2HB LYS 3 -18.173 -15.703 -2.139 14 2HB LYS 3 1HB LYS 3 -18.476 -14.069 -1.564 15 1HG LYS 3 2HG LYS 3 -19.752 -13.543 -3.505 16 2HG LYS 3 1HG LYS 3 -19.282 -15.052 -4.289 17 1HD LYS 3 2HD LYS 3 -20.487 -16.323 -2.596 18 2HD LYS 3 1HD LYS 3 -20.920 -14.829 -1.763 19 1HE LYS 3 2HE LYS 3 -21.923 -14.180 -4.091 20 2HE LYS 3 1HE LYS 3 -21.925 -15.924 -4.352 21 1HZ LYS 3 1HZ LYS 3 -23.009 -15.106 -1.807 22 2HZ LYS 3 3HZ LYS 3 -23.891 -14.546 -3.138 23 3HZ LYS 3 2HZ LYS 3 -23.619 -16.204 -2.941 24 H CYS 4 H CYS 4 -18.270 -12.180 -3.960 25 HA CYS 4 HA CYS 4 -16.921 -10.282 -2.206 26 1HB CYS 4 2HB CYS 4 -16.810 -10.220 -5.211 27 2HB CYS 4 1HB CYS 4 -16.573 -8.765 -4.245 28 H LYS 5 H LYS 5 -19.694 -11.414 -3.581 29 HA LYS 5 HA LYS 5 -21.092 -8.833 -3.526 30 1HB LYS 5 2HB LYS 5 -22.174 -11.524 -4.374 31 2HB LYS 5 1HB LYS 5 -22.901 -9.947 -4.658 32 1HG LYS 5 2HG LYS 5 -20.181 -10.481 -5.741 33 2HG LYS 5 1HG LYS 5 -21.577 -11.199 -6.548 34 1HD LYS 5 2HD LYS 5 -21.733 -8.312 -5.866 35 2HD LYS 5 1HD LYS 5 -20.645 -8.774 -7.175 36 1HE LYS 5 2HE LYS 5 -23.178 -8.198 -7.631 37 2HE LYS 5 1HE LYS 5 -22.347 -9.463 -8.536 38 1HZ LYS 5 1HZ LYS 5 -23.368 -10.624 -6.221 39 2HZ LYS 5 3HZ LYS 5 -24.612 -9.689 -6.888 40 3HZ LYS 5 2HZ LYS 5 -23.860 -10.887 -7.818 41 H LYS 6 H LYS 6 -22.081 -8.260 -1.675 42 HA LYS 6 HA LYS 6 -23.503 -10.294 -0.152 43 1HB LYS 6 2HB LYS 6 -21.636 -8.519 1.375 44 2HB LYS 6 1HB LYS 6 -22.377 -10.034 1.869 45 1HG LYS 6 2HG LYS 6 -20.940 -11.220 0.247 46 2HG LYS 6 1HG LYS 6 -20.148 -9.684 -0.122 47 1HD LYS 6 2HD LYS 6 -19.579 -9.503 2.312 48 2HD LYS 6 1HD LYS 6 -20.183 -11.149 2.512 49 1HE LYS 6 2HE LYS 6 -17.919 -10.285 0.715 50 2HE LYS 6 1HE LYS 6 -17.761 -11.137 2.252 51 1HZ LYS 6 1HZ LYS 6 -19.437 -12.344 0.178 52 2HZ LYS 6 3HZ LYS 6 -17.758 -12.411 -0.027 53 3HZ LYS 6 2HZ LYS 6 -18.469 -13.086 1.350 54 H VAL 7 H VAL 7 -25.459 -9.504 0.143 55 HA VAL 7 HA VAL 7 -26.007 -6.712 0.041 56 HB VAL 7 HB VAL 7 -28.183 -7.284 -0.198 57 1HG1 VAL 7 1HG1 VAL 7 -26.760 -9.129 -1.359 58 2HG1 VAL 7 3HG1 VAL 7 -27.463 -10.177 -0.126 59 3HG1 VAL 7 2HG1 VAL 7 -28.512 -9.304 -1.243 60 1HG2 VAL 7 1HG2 VAL 7 -27.850 -9.209 2.103 61 2HG2 VAL 7 3HG2 VAL 7 -28.596 -7.610 2.148 62 3HG2 VAL 7 2HG2 VAL 7 -29.369 -8.919 1.256 63 H TYR 8 H TYR 8 -26.750 -5.328 1.626 64 HA TYR 8 HA TYR 8 -25.837 -6.170 4.311 65 1HB TYR 8 2HB TYR 8 -25.714 -3.750 4.846 66 2HB TYR 8 1HB TYR 8 -24.643 -4.253 3.546 67 HD1 TYR 8 HD2 TYR 8 -28.283 -3.321 3.430 68 HD2 TYR 8 HD1 TYR 8 -24.315 -2.397 2.246 69 HE1 TYR 8 HE2 TYR 8 -29.144 -1.617 1.999 70 HE2 TYR 8 HE1 TYR 8 -25.178 -0.613 0.793 71 HH TYR 8 HH TYR 8 -26.998 0.367 -0.040 72 H GLU 9 H GLU 9 -28.569 -5.772 2.556 73 HA GLU 9 HA GLU 9 -30.741 -5.164 3.016 74 1HB GLU 9 2HB GLU 9 -30.331 -7.608 3.625 75 2HB GLU 9 1HB GLU 9 -30.374 -7.078 5.299 76 1HG GLU 9 2HG GLU 9 -32.647 -6.028 3.877 77 2HG GLU 9 1HG GLU 9 -32.557 -7.776 3.667 78 H ASN 10 H ASN 10 -31.193 -3.205 3.719 79 HA ASN 10 HA ASN 10 -32.097 -2.633 6.228 80 1HB ASN 10 2HB ASN 10 -30.158 -1.052 6.980 81 2HB ASN 10 1HB ASN 10 -30.076 -2.770 7.346 82 1HD2 ASN 10 2HD2 ASN 10 -27.699 -1.340 4.331 83 2HD2 ASN 10 1HD2 ASN 10 -29.280 -0.693 4.572 84 H TYR 11 H TYR 11 -30.181 -1.187 3.617 85 HA TYR 11 HA TYR 11 -31.041 1.433 3.786 86 1HB TYR 11 2HB TYR 11 -29.270 0.575 2.264 87 2HB TYR 11 1HB TYR 11 -30.530 -0.115 1.242 88 HD1 TYR 11 HD2 TYR 11 -31.916 1.289 -0.138 89 HD2 TYR 11 HD1 TYR 11 -28.833 2.936 2.282 90 HE1 TYR 11 HE2 TYR 11 -32.039 3.394 -1.419 91 HE2 TYR 11 HE1 TYR 11 -28.928 5.034 1.007 92 HH TYR 11 HH TYR 11 -29.758 5.602 -1.534 93 HA PRO 12 HA PRO 12 -35.436 1.580 3.073 94 1HB PRO 12 2HB PRO 12 -34.633 3.595 1.005 95 2HB PRO 12 1HB PRO 12 -35.924 3.677 2.208 96 1HG PRO 12 2HG PRO 12 -33.596 4.953 2.565 97 2HG PRO 12 1HG PRO 12 -34.485 4.235 3.918 98 1HD PRO 12 2HD PRO 12 -31.964 3.362 2.654 99 2HD PRO 12 1HD PRO 12 -32.598 3.008 4.274 100 H VAL 13 H VAL 13 -35.696 -0.460 2.110 101 HA VAL 13 HA VAL 13 -34.885 -1.260 -0.410 102 HB VAL 13 HB VAL 13 -36.020 -2.645 1.432 103 1HG1 VAL 13 1HG1 VAL 13 -38.069 -1.220 1.486 104 2HG1 VAL 13 3HG1 VAL 13 -38.509 -1.883 -0.089 105 3HG1 VAL 13 2HG1 VAL 13 -38.385 -2.947 1.313 106 1HG2 VAL 13 1HG2 VAL 13 -36.272 -2.947 -1.511 107 2HG2 VAL 13 3HG2 VAL 13 -35.427 -3.956 -0.338 108 3HG2 VAL 13 2HG2 VAL 13 -37.179 -4.072 -0.500 109 H SER 14 H SER 14 -36.946 1.257 0.294 110 HA SER 14 HA SER 14 -38.880 1.051 -1.754 111 1HB SER 14 2HB SER 14 -39.309 3.409 -1.359 112 2HB SER 14 1HB SER 14 -39.066 2.596 0.186 113 HG SER 14 HG SER 14 -37.922 4.642 -0.111 114 H LYS 15 H LYS 15 -36.672 3.778 -1.811 115 HA LYS 15 HA LYS 15 -36.553 3.818 -4.635 116 1HB LYS 15 2HB LYS 15 -36.250 5.796 -3.120 117 2HB LYS 15 1HB LYS 15 -34.657 5.173 -2.712 118 1HG LYS 15 2HG LYS 15 -34.117 6.669 -4.350 119 2HG LYS 15 1HG LYS 15 -34.320 5.203 -5.311 120 1HD LYS 15 2HD LYS 15 -36.515 5.869 -5.989 121 2HD LYS 15 1HD LYS 15 -36.509 7.229 -4.863 122 1HE LYS 15 2HE LYS 15 -34.545 8.140 -6.129 123 2HE LYS 15 1HE LYS 15 -34.821 6.879 -7.331 124 1HZ LYS 15 1HZ LYS 15 -36.825 8.919 -6.535 125 2HZ LYS 15 3HZ LYS 15 -35.854 9.011 -7.918 126 3HZ LYS 15 2HZ LYS 15 -36.992 7.769 -7.765 127 H CYS 16 H CYS 16 -35.019 3.114 -6.067 128 HA CYS 16 HA CYS 16 -32.440 2.227 -5.357 129 1HB CYS 16 2HB CYS 16 -34.560 0.330 -4.919 130 2HB CYS 16 1HB CYS 16 -33.496 -0.272 -6.184 131 H GLN 17 H GLN 17 -34.117 3.651 -7.409 132 HA GLN 17 HA GLN 17 -33.159 2.247 -9.824 133 1HB GLN 17 2HB GLN 17 -35.312 4.357 -9.733 134 2HB GLN 17 1HB GLN 17 -34.933 3.256 -11.051 135 1HG GLN 17 2HG GLN 17 -35.867 2.253 -8.388 136 2HG GLN 17 1HG GLN 17 -37.000 2.772 -9.634 137 1HE2 GLN 17 2HE2 GLN 17 -35.827 -0.930 -9.690 138 2HE2 GLN 17 1HE2 GLN 17 -35.944 0.126 -8.329 139 H LEU 18 H LEU 18 -31.165 3.528 -8.754 140 HA LEU 18 HA LEU 18 -30.486 5.553 -10.611 141 1HB LEU 18 2HB LEU 18 -31.625 6.369 -8.057 142 2HB LEU 18 1HB LEU 18 -30.023 7.044 -8.301 143 HG LEU 18 HG LEU 18 -32.108 7.247 -10.433 144 1HD1 LEU 18 1HD1 LEU 18 -31.854 8.871 -7.934 145 2HD1 LEU 18 3HD1 LEU 18 -32.449 9.602 -9.424 146 3HD1 LEU 18 2HD1 LEU 18 -33.305 8.235 -8.710 147 1HD2 LEU 18 1HD2 LEU 18 -29.640 8.809 -9.710 148 2HD2 LEU 18 3HD2 LEU 18 -29.904 7.810 -11.139 149 3HD2 LEU 18 2HD2 LEU 18 -30.798 9.318 -10.938 150 H ALA 19 H ALA 19 -28.384 5.337 -10.970 151 HA ALA 19 HA ALA 19 -26.728 3.607 -9.508 152 1HB ALA 19 1HB ALA 19 -26.494 4.331 -11.932 153 2HB ALA 19 3HB ALA 19 -25.716 5.787 -11.313 154 3HB ALA 19 2HB ALA 19 -25.003 4.205 -10.999 155 H ASN 20 H ASN 20 -27.594 5.009 -7.475 156 HA ASN 20 HA ASN 20 -25.213 6.198 -6.395 157 1HB ASN 20 2HB ASN 20 -26.394 8.077 -7.645 158 2HB ASN 20 1HB ASN 20 -27.684 7.934 -6.453 159 1HD2 ASN 20 2HD2 ASN 20 -24.074 9.542 -5.438 160 2HD2 ASN 20 1HD2 ASN 20 -24.249 8.573 -6.858 161 H GLN 21 H GLN 21 -28.658 6.604 -5.603 162 HA GLN 21 HA GLN 21 -28.423 6.132 -2.890 163 1HB GLN 21 2HB GLN 21 -30.667 6.000 -4.846 164 2HB GLN 21 1HB GLN 21 -30.932 5.293 -3.259 165 1HG GLN 21 2HG GLN 21 -31.727 7.547 -3.249 166 2HG GLN 21 1HG GLN 21 -30.291 7.446 -2.234 167 1HE2 GLN 21 2HE2 GLN 21 -28.254 9.180 -4.685 168 2HE2 GLN 21 1HE2 GLN 21 -28.214 7.733 -3.741 169 H CYS 22 H CYS 22 -27.072 4.463 -2.503 170 HA CYS 22 HA CYS 22 -27.265 2.236 -1.513 171 1HB CYS 22 2HB CYS 22 -29.272 1.556 -2.775 172 2HB CYS 22 1HB CYS 22 -28.312 1.473 -4.254 173 H ASN 23 H ASN 23 -26.459 2.601 -4.979 174 HA ASN 23 HA ASN 23 -24.168 1.008 -4.943 175 1HB ASN 23 2HB ASN 23 -25.455 2.194 -6.925 176 2HB ASN 23 1HB ASN 23 -24.241 3.448 -6.677 177 1HD2 ASN 23 2HD2 ASN 23 -21.536 1.133 -7.461 178 2HD2 ASN 23 1HD2 ASN 23 -21.987 2.188 -6.169 179 H TYR 24 H TYR 24 -24.425 4.548 -4.665 180 HA TYR 24 HA TYR 24 -21.745 5.095 -4.169 181 1HB TYR 24 2HB TYR 24 -22.860 7.060 -4.499 182 2HB TYR 24 1HB TYR 24 -24.321 6.484 -3.711 183 HD1 TYR 24 HD2 TYR 24 -20.863 6.745 -2.352 184 HD2 TYR 24 HD1 TYR 24 -24.869 8.165 -2.196 185 HE1 TYR 24 HE2 TYR 24 -20.310 8.070 -0.357 186 HE2 TYR 24 HE1 TYR 24 -24.327 9.496 -0.202 187 HH TYR 24 HH TYR 24 -21.064 9.895 0.909 188 H ASP 25 H ASP 25 -24.369 4.414 -1.862 189 HA ASP 25 HA ASP 25 -22.943 4.691 0.502 190 1HB ASP 25 2HB ASP 25 -24.894 2.437 0.304 191 2HB ASP 25 1HB ASP 25 -24.739 3.682 1.542 192 H CYS 26 H CYS 26 -23.366 1.736 -1.471 193 HA CYS 26 HA CYS 26 -21.751 0.060 0.083 194 1HB CYS 26 2HB CYS 26 -22.448 0.099 -2.847 195 2HB CYS 26 1HB CYS 26 -21.303 -1.081 -2.221 196 H LYS 27 H LYS 27 -21.008 2.256 -2.574 197 HA LYS 27 HA LYS 27 -18.248 1.783 -2.771 198 1HB LYS 27 2HB LYS 27 -19.890 3.162 -4.282 199 2HB LYS 27 1HB LYS 27 -19.404 4.502 -3.253 200 1HG LYS 27 2HG LYS 27 -17.082 4.169 -3.863 201 2HG LYS 27 1HG LYS 27 -17.522 2.765 -4.837 202 1HD LYS 27 2HD LYS 27 -18.711 4.106 -6.392 203 2HD LYS 27 1HD LYS 27 -18.637 5.516 -5.332 204 1HE LYS 27 2HE LYS 27 -17.030 5.436 -7.322 205 2HE LYS 27 1HE LYS 27 -16.361 5.849 -5.744 206 1HZ LYS 27 2HZ LYS 27 -16.299 3.045 -6.149 207 2HZ LYS 27 1HZ LYS 27 -15.527 3.831 -7.431 208 3HZ LYS 27 3HZ LYS 27 -15.017 4.105 -5.841 209 H LEU 28 H LEU 28 -19.620 2.474 -0.034 210 HA LEU 28 HA LEU 28 -17.305 3.698 1.110 211 1HB LEU 28 2HB LEU 28 -18.950 5.534 0.127 212 2HB LEU 28 1HB LEU 28 -19.810 5.249 1.620 213 HG LEU 28 HG LEU 28 -18.404 7.132 1.971 214 1HD1 LEU 28 3HD1 LEU 28 -17.237 4.658 3.218 215 2HD1 LEU 28 2HD1 LEU 28 -16.772 6.293 3.680 216 3HD1 LEU 28 1HD1 LEU 28 -18.437 5.756 3.899 217 1HD2 LEU 28 1HD2 LEU 28 -16.892 6.528 0.019 218 2HD2 LEU 28 3HD2 LEU 28 -16.132 7.287 1.418 219 3HD2 LEU 28 2HD2 LEU 28 -15.984 5.549 1.171 220 H ASP 29 H ASP 29 -19.582 4.639 3.192 221 HA ASP 29 HA ASP 29 -20.085 3.809 5.268 222 1HB ASP 29 2HB ASP 29 -21.507 2.261 3.193 223 2HB ASP 29 1HB ASP 29 -21.510 1.529 4.794 224 H LYS 30 H LYS 30 -19.802 0.639 3.715 225 HA LYS 30 HA LYS 30 -17.988 -0.190 5.854 226 1HB LYS 30 2HB LYS 30 -19.160 -1.991 3.751 227 2HB LYS 30 1HB LYS 30 -18.585 -2.414 5.358 228 1HG LYS 30 2HG LYS 30 -20.472 -1.192 6.340 229 2HG LYS 30 1HG LYS 30 -21.057 -0.819 4.718 230 1HD LYS 30 2HD LYS 30 -20.920 -3.418 4.406 231 2HD LYS 30 1HD LYS 30 -21.006 -3.426 6.169 232 1HE LYS 30 2HE LYS 30 -23.030 -2.504 4.172 233 2HE LYS 30 1HE LYS 30 -23.235 -3.577 5.555 234 1HZ LYS 30 3HZ LYS 30 -22.516 -0.752 5.972 235 2HZ LYS 30 2HZ LYS 30 -24.127 -1.179 5.681 236 3HZ LYS 30 1HZ LYS 30 -23.311 -1.816 7.020 237 H HIS 31 H HIS 31 -17.544 1.222 3.006 238 HA HIS 31 HA HIS 31 -15.715 1.484 1.678 239 1HB HIS 31 2HB HIS 31 -14.309 -0.712 3.176 240 2HB HIS 31 1HB HIS 31 -13.611 0.672 2.344 241 HD1 HIS 31 HD1 HIS 31 -13.057 -0.070 5.353 242 HD2 HIS 31 HD2 HIS 31 -15.753 2.794 4.016 243 HE1 HIS 31 HE1 HIS 31 -13.342 1.531 7.271 244 HE2 HIS 31 HE2 HIS 31 -14.904 3.307 6.405 245 H ALA 32 H ALA 32 -17.607 0.140 0.450 246 HA ALA 32 HA ALA 32 -16.577 -2.422 -0.492 247 1HB ALA 32 1HB ALA 32 -19.105 -1.646 -0.042 248 2HB ALA 32 3HB ALA 32 -18.984 -1.242 -1.754 249 3HB ALA 32 2HB ALA 32 -18.681 -2.893 -1.214 250 H ARG 33 H ARG 33 -16.944 -2.675 -3.049 251 HA ARG 33 HA ARG 33 -15.281 -0.576 -4.244 252 1HB ARG 33 2HB ARG 33 -14.918 -3.209 -4.342 253 2HB ARG 33 1HB ARG 33 -16.006 -3.078 -5.714 254 1HG ARG 33 2HG ARG 33 -13.658 -1.250 -5.613 255 2HG ARG 33 1HG ARG 33 -13.380 -2.949 -5.985 256 1HD ARG 33 2HD ARG 33 -14.584 -2.857 -7.951 257 2HD ARG 33 1HD ARG 33 -15.515 -1.450 -7.440 258 HE ARG 33 HE ARG 33 -13.887 -0.118 -8.331 259 1HH1 ARG 33 1HH2 ARG 33 -12.584 -3.304 -7.810 260 2HH1 ARG 33 2HH2 ARG 33 -11.066 -2.950 -8.566 261 1HH2 ARG 33 2HH1 ARG 33 -11.885 0.364 -9.322 262 2HH2 ARG 33 1HH1 ARG 33 -10.667 -0.863 -9.420 263 H SER 34 H SER 34 -18.448 -1.841 -4.219 264 HA SER 34 HA SER 34 -19.807 0.161 -5.344 265 1HB SER 34 2HB SER 34 -20.100 -0.833 -7.787 266 2HB SER 34 1HB SER 34 -18.799 0.298 -7.419 267 HG SER 34 HG SER 34 -18.380 -1.881 -8.537 268 H GLY 35 H GLY 35 -21.957 -0.284 -5.318 269 1HA GLY 35 2HA GLY 35 -22.741 -3.138 -5.251 270 2HA GLY 35 1HA GLY 35 -23.341 -1.986 -4.068 271 H GLU 36 H GLU 36 -25.353 -3.034 -5.034 272 HA GLU 36 HA GLU 36 -26.749 -1.110 -6.496 273 1HB GLU 36 2HB GLU 36 -25.241 -2.983 -8.113 274 2HB GLU 36 1HB GLU 36 -26.960 -3.133 -8.445 275 1HG GLU 36 2HG GLU 36 -27.131 -0.977 -9.243 276 2HG GLU 36 1HG GLU 36 -25.685 -0.435 -8.396 277 H CYS 37 H CYS 37 -28.954 -1.764 -6.972 278 HA CYS 37 HA CYS 37 -29.873 -3.721 -5.039 279 1HB CYS 37 2HB CYS 37 -31.641 -2.109 -6.863 280 2HB CYS 37 1HB CYS 37 -31.993 -2.730 -5.251 281 H PHE 38 H PHE 38 -30.868 -5.629 -5.498 282 HA PHE 38 HA PHE 38 -31.355 -6.313 -8.317 283 1HB PHE 38 2HB PHE 38 -29.590 -7.792 -6.380 284 2HB PHE 38 1HB PHE 38 -30.367 -8.629 -7.719 285 HD1 PHE 38 HD2 PHE 38 -27.974 -5.966 -6.842 286 HD2 PHE 38 HD1 PHE 38 -29.543 -8.445 -9.924 287 HE1 PHE 38 HE2 PHE 38 -26.140 -5.274 -8.327 288 HE2 PHE 38 HE1 PHE 38 -27.709 -7.759 -11.414 289 HZ PHE 38 HZ PHE 38 -26.005 -6.169 -10.617 290 H TYR 39 H TYR 39 -32.757 -8.151 -8.610 291 HA TYR 39 HA TYR 39 -34.740 -8.321 -6.481 292 1HB TYR 39 2HB TYR 39 -34.766 -9.073 -9.397 293 2HB TYR 39 1HB TYR 39 -36.061 -9.538 -8.299 294 HD1 TYR 39 HD1 TYR 39 -34.324 -6.653 -9.823 295 HD2 TYR 39 HD2 TYR 39 -37.716 -7.972 -7.626 296 HE1 TYR 39 HE1 TYR 39 -35.392 -4.466 -10.170 297 HE2 TYR 39 HE2 TYR 39 -38.797 -5.789 -7.966 298 HH TYR 39 HH TYR 39 -37.681 -3.249 -8.479 299 H ASP 40 H ASP 40 -35.915 -10.730 -6.927 300 HA ASP 40 HA ASP 40 -34.067 -12.896 -7.025 301 1HB ASP 40 2HB ASP 40 -34.192 -13.609 -4.699 302 2HB ASP 40 1HB ASP 40 -33.507 -11.989 -4.789 303 H GLU 41 H GLU 41 -35.334 -14.854 -5.709 304 HA GLU 41 HA GLU 41 -37.552 -15.389 -7.354 305 1HB GLU 41 2HB GLU 41 -36.570 -16.758 -4.850 306 2HB GLU 41 1HB GLU 41 -37.863 -17.383 -5.863 307 1HG GLU 41 2HG GLU 41 -36.328 -17.549 -7.745 308 2HG GLU 41 1HG GLU 41 -35.029 -16.893 -6.749 309 H LYS 42 H LYS 42 -37.691 -13.018 -5.387 310 HA LYS 42 HA LYS 42 -40.441 -13.580 -4.529 311 1HB LYS 42 2HB LYS 42 -38.288 -12.387 -2.778 312 2HB LYS 42 1HB LYS 42 -40.002 -12.353 -2.390 313 1HG LYS 42 2HG LYS 42 -38.596 -14.937 -2.941 314 2HG LYS 42 1HG LYS 42 -38.534 -14.184 -1.347 315 1HD LYS 42 2HD LYS 42 -40.661 -14.766 -0.862 316 2HD LYS 42 1HD LYS 42 -41.243 -14.331 -2.468 317 1HE LYS 42 2HE LYS 42 -41.544 -16.713 -2.026 318 2HE LYS 42 1HE LYS 42 -40.420 -16.443 -3.357 319 1HZ LYS 42 3HZ LYS 42 -38.656 -16.608 -1.486 320 2HZ LYS 42 2HZ LYS 42 -39.875 -17.419 -0.638 321 3HZ LYS 42 1HZ LYS 42 -39.332 -18.022 -2.122 322 H ARG 43 H ARG 43 -38.910 -11.952 -6.617 323 HA ARG 43 HA ARG 43 -39.049 -9.921 -7.643 324 1HB ARG 43 2HB ARG 43 -41.586 -10.843 -7.105 325 2HB ARG 43 1HB ARG 43 -41.649 -9.208 -6.471 326 1HG ARG 43 2HG ARG 43 -42.317 -8.856 -8.626 327 2HG ARG 43 1HG ARG 43 -40.580 -8.590 -8.780 328 1HD ARG 43 2HD ARG 43 -41.894 -11.250 -9.305 329 2HD ARG 43 1HD ARG 43 -41.647 -10.035 -10.556 330 HE ARG 43 HE ARG 43 -39.178 -10.329 -9.515 331 1HH1 ARG 43 1HH2 ARG 43 -41.542 -12.598 -10.693 332 2HH1 ARG 43 2HH2 ARG 43 -40.364 -13.748 -11.226 333 1HH2 ARG 43 2HH1 ARG 43 -37.617 -11.837 -10.214 334 2HH2 ARG 43 1HH1 ARG 43 -38.130 -13.317 -10.953 335 H ASN 44 H ASN 44 -38.309 -10.072 -4.601 336 HA ASN 44 HA ASN 44 -38.830 -7.294 -3.854 337 1HB ASN 44 2HB ASN 44 -37.694 -9.651 -2.358 338 2HB ASN 44 1HB ASN 44 -37.673 -8.018 -1.699 339 1HD2 ASN 44 2HD2 ASN 44 -40.662 -9.702 -0.402 340 2HD2 ASN 44 1HD2 ASN 44 -38.950 -9.912 -0.305 341 H LEU 45 H LEU 45 -37.264 -5.747 -3.608 342 HA LEU 45 HA LEU 45 -34.755 -6.233 -4.992 343 1HB LEU 45 2HB LEU 45 -36.260 -3.824 -4.073 344 2HB LEU 45 1HB LEU 45 -34.538 -3.667 -4.356 345 HG LEU 45 HG LEU 45 -36.505 -4.646 -6.428 346 1HD1 LEU 45 1HD1 LEU 45 -36.785 -2.238 -5.638 347 2HD1 LEU 45 3HD1 LEU 45 -35.199 -1.940 -6.352 348 3HD1 LEU 45 2HD1 LEU 45 -36.533 -2.493 -7.365 349 1HD2 LEU 45 3HD2 LEU 45 -33.567 -4.156 -6.374 350 2HD2 LEU 45 2HD2 LEU 45 -34.480 -5.449 -7.150 351 3HD2 LEU 45 1HD2 LEU 45 -34.456 -3.836 -7.862 352 H GLN 46 H GLN 46 -32.694 -5.915 -4.102 353 HA GLN 46 HA GLN 46 -32.473 -5.411 -1.235 354 1HB GLN 46 2HB GLN 46 -31.471 -7.945 -2.542 355 2HB GLN 46 1HB GLN 46 -31.051 -7.429 -0.914 356 1HG GLN 46 2HG GLN 46 -32.748 -8.941 -0.548 357 2HG GLN 46 1HG GLN 46 -33.595 -7.395 -0.511 358 1HE2 GLN 46 2HE2 GLN 46 -33.978 -9.497 -3.998 359 2HE2 GLN 46 1HE2 GLN 46 -32.430 -9.276 -3.266 360 H CYS 47 H CYS 47 -30.653 -4.314 -0.702 361 HA CYS 47 HA CYS 47 -28.949 -3.433 -2.832 362 1HB CYS 47 2HB CYS 47 -29.344 -2.724 0.013 363 2HB CYS 47 1HB CYS 47 -27.753 -2.400 -0.664 364 H ILE 48 H ILE 48 -27.610 -4.827 -3.629 365 HA ILE 48 HA ILE 48 -25.984 -6.616 -2.029 366 HB ILE 48 HB ILE 48 -26.031 -6.256 -5.014 367 1HG1 ILE 48 2HG1 ILE 48 -27.630 -8.004 -3.160 368 2HG1 ILE 48 1HG1 ILE 48 -28.200 -6.987 -4.481 369 1HG2 ILE 48 2HG2 ILE 48 -23.988 -7.308 -4.059 370 2HG2 ILE 48 1HG2 ILE 48 -25.011 -8.570 -3.373 371 3HG2 ILE 48 3HG2 ILE 48 -24.904 -8.373 -5.122 372 1HD1 ILE 48 2HD1 ILE 48 -27.085 -8.542 -6.066 373 2HD1 ILE 48 1HD1 ILE 48 -26.721 -9.594 -4.698 374 3HD1 ILE 48 3HD1 ILE 48 -28.397 -9.268 -5.137 375 H CYS 49 H CYS 49 -24.064 -5.937 -1.225 376 HA CYS 49 HA CYS 49 -22.709 -3.693 -2.535 377 1HB CYS 49 2HB CYS 49 -22.566 -4.943 0.172 378 2HB CYS 49 1HB CYS 49 -21.124 -4.146 -0.430 379 H ASP 50 H ASP 50 -21.280 -4.110 -4.047 380 HA ASP 50 HA ASP 50 -19.888 -6.689 -4.043 381 1HB ASP 50 2HB ASP 50 -20.205 -6.638 -6.268 382 2HB ASP 50 1HB ASP 50 -21.062 -5.115 -6.088 383 H TYR 51 H TYR 51 -17.839 -6.889 -3.594 384 HA TYR 51 HA TYR 51 -16.277 -4.469 -3.038 385 1HB TYR 51 2HB TYR 51 -16.018 -7.329 -2.125 386 2HB TYR 51 1HB TYR 51 -14.823 -6.086 -1.756 387 HD1 TYR 51 HD1 TYR 51 -18.492 -6.712 -1.494 388 HD2 TYR 51 HD2 TYR 51 -15.049 -4.919 0.246 389 HE1 TYR 51 HE1 TYR 51 -19.834 -6.054 0.455 390 HE2 TYR 51 HE2 TYR 51 -16.380 -4.254 2.206 391 HH TYR 51 HH TYR 51 -18.451 -4.946 3.347 392 H CYS 52 H CYS 52 -16.607 -6.930 -5.326 393 HA CYS 52 HA CYS 52 -14.107 -6.138 -6.600 394 1HB CYS 52 2HB CYS 52 -14.703 -9.061 -6.570 395 2HB CYS 52 1HB CYS 52 -13.159 -8.234 -6.741 396 H GLU 53 H GLU 53 -15.547 -5.065 -8.046 397 HA GLU 53 HA GLU 53 -16.284 -6.678 -10.288 398 1HB GLU 53 2HB GLU 53 -18.226 -6.759 -8.517 399 2HB GLU 53 1HB GLU 53 -18.596 -5.161 -9.151 400 1HG GLU 53 2HG GLU 53 -18.406 -6.453 -11.460 401 2HG GLU 53 1HG GLU 53 -18.848 -7.817 -10.435 402 H TYR 54 HN TYR 54 -14.595 -5.077 -10.894 403 HA TYR 54 HA TYR 54 -13.928 -3.214 -12.013 404 1HB TYR 54 2HB TYR 54 -16.867 -3.274 -12.649 405 2HB TYR 54 1HB TYR 54 -15.835 -1.985 -13.259 406 HD1 TYR 54 HD1 TYR 54 -13.526 -2.976 -14.307 407 HD2 TYR 54 HD2 TYR 54 -17.256 -5.011 -14.107 408 HE1 TYR 54 HE1 TYR 54 -12.840 -4.405 -16.185 409 HE2 TYR 54 HE2 TYR 54 -16.579 -6.448 -15.988 410 HH TYR 54 HH TYR 54 -13.327 -6.373 -17.275 No H/Q in entry = 410 Start of MODEL 19 1 HN PCA 1 HN PCA 1 -18.262 -14.797 -9.681 2 HA PCA 1 HA PCA 1 -20.241 -13.441 -8.776 3 1HB PCA 1 1HB PCA 1 -22.302 -14.232 -9.282 4 2HB PCA 1 2HB PCA 1 -21.965 -15.767 -8.448 5 1HG PCA 1 1HG PCA 1 -21.850 -15.167 -11.304 6 2HG PCA 1 2HG PCA 1 -21.675 -16.737 -10.497 7 H ASP 2 H ASP 2 -21.305 -13.902 -6.549 8 HA ASP 2 HA ASP 2 -21.024 -14.393 -4.344 9 1HB ASP 2 2HB ASP 2 -19.767 -16.928 -5.423 10 2HB ASP 2 1HB ASP 2 -20.276 -16.669 -3.759 11 H LYS 3 H LYS 3 -19.457 -14.422 -2.631 12 HA LYS 3 HA LYS 3 -17.471 -13.892 -1.646 13 1HB LYS 3 2HB LYS 3 -16.085 -14.645 -4.212 14 2HB LYS 3 1HB LYS 3 -15.429 -14.673 -2.587 15 1HG LYS 3 2HG LYS 3 -17.754 -16.427 -3.253 16 2HG LYS 3 1HG LYS 3 -16.147 -16.884 -3.809 17 1HD LYS 3 2HD LYS 3 -16.062 -17.940 -1.804 18 2HD LYS 3 1HD LYS 3 -15.605 -16.348 -1.208 19 1HE LYS 3 2HE LYS 3 -17.310 -17.171 0.223 20 2HE LYS 3 1HE LYS 3 -18.042 -15.921 -0.779 21 1HZ LYS 3 3HZ LYS 3 -18.194 -18.774 -1.527 22 2HZ LYS 3 2HZ LYS 3 -19.319 -18.083 -0.470 23 3HZ LYS 3 1HZ LYS 3 -19.170 -17.494 -2.048 24 H CYS 4 H CYS 4 -18.976 -12.114 -3.669 25 HA CYS 4 HA CYS 4 -17.147 -9.898 -3.456 26 1HB CYS 4 2HB CYS 4 -17.786 -11.160 -6.098 27 2HB CYS 4 1HB CYS 4 -17.496 -9.427 -6.001 28 H LYS 5 H LYS 5 -20.041 -10.951 -2.941 29 HA LYS 5 HA LYS 5 -21.281 -8.353 -3.375 30 1HB LYS 5 2HB LYS 5 -23.205 -9.149 -4.462 31 2HB LYS 5 1HB LYS 5 -21.841 -9.853 -5.322 32 1HG LYS 5 2HG LYS 5 -22.231 -11.860 -3.698 33 2HG LYS 5 1HG LYS 5 -23.846 -11.157 -3.552 34 1HD LYS 5 2HD LYS 5 -23.976 -11.160 -6.043 35 2HD LYS 5 1HD LYS 5 -22.462 -12.061 -6.064 36 1HE LYS 5 2HE LYS 5 -23.426 -13.975 -5.252 37 2HE LYS 5 1HE LYS 5 -24.689 -13.101 -4.386 38 1HZ LYS 5 3HZ LYS 5 -24.827 -12.818 -7.248 39 2HZ LYS 5 2HZ LYS 5 -25.031 -14.411 -6.717 40 3HZ LYS 5 1HZ LYS 5 -26.047 -13.189 -6.136 41 H LYS 6 H LYS 6 -22.462 -7.728 -1.657 42 HA LYS 6 HA LYS 6 -23.598 -9.740 0.130 43 1HB LYS 6 2HB LYS 6 -21.817 -7.536 1.182 44 2HB LYS 6 1HB LYS 6 -22.603 -8.794 2.123 45 1HG LYS 6 2HG LYS 6 -20.536 -9.388 0.021 46 2HG LYS 6 1HG LYS 6 -20.135 -9.072 1.705 47 1HD LYS 6 2HD LYS 6 -21.389 -10.968 2.440 48 2HD LYS 6 1HD LYS 6 -22.055 -11.224 0.826 49 1HE LYS 6 2HE LYS 6 -19.808 -12.458 1.865 50 2HE LYS 6 1HE LYS 6 -20.251 -12.385 0.160 51 1HZ LYS 6 3HZ LYS 6 -18.682 -10.227 1.430 52 2HZ LYS 6 2HZ LYS 6 -17.933 -11.615 0.817 53 3HZ LYS 6 1HZ LYS 6 -18.820 -10.607 -0.213 54 H VAL 7 H VAL 7 -25.579 -9.200 0.675 55 HA VAL 7 HA VAL 7 -26.784 -6.804 -0.136 56 HB VAL 7 HB VAL 7 -28.750 -7.713 0.523 57 1HG1 VAL 7 3HG1 VAL 7 -27.466 -9.494 -0.616 58 2HG1 VAL 7 2HG1 VAL 7 -27.045 -10.146 0.969 59 3HG1 VAL 7 1HG1 VAL 7 -28.732 -10.098 0.456 60 1HG2 VAL 7 2HG2 VAL 7 -27.399 -8.653 3.053 61 2HG2 VAL 7 1HG2 VAL 7 -28.574 -7.348 2.880 62 3HG2 VAL 7 3HG2 VAL 7 -29.072 -9.022 2.641 63 H TYR 8 H TYR 8 -26.977 -4.865 0.778 64 HA TYR 8 HA TYR 8 -25.536 -4.210 3.110 65 1HB TYR 8 2HB TYR 8 -25.918 -2.463 1.523 66 2HB TYR 8 1HB TYR 8 -27.656 -2.721 1.569 67 HD1 TYR 8 HD1 TYR 8 -25.903 -2.747 4.768 68 HD2 TYR 8 HD2 TYR 8 -27.883 -0.287 1.916 69 HE1 TYR 8 HE1 TYR 8 -26.125 -0.979 6.455 70 HE2 TYR 8 HE2 TYR 8 -28.110 1.490 3.603 71 HH TYR 8 HH TYR 8 -26.435 1.846 6.133 72 H GLU 9 H GLU 9 -28.954 -3.604 2.735 73 HA GLU 9 HA GLU 9 -29.973 -5.377 4.563 74 1HB GLU 9 2HB GLU 9 -28.548 -3.199 5.831 75 2HB GLU 9 1HB GLU 9 -30.234 -3.199 6.324 76 1HG GLU 9 2HG GLU 9 -28.693 -5.753 6.378 77 2HG GLU 9 1HG GLU 9 -28.460 -4.562 7.659 78 H ASN 10 H ASN 10 -31.980 -4.188 5.798 79 HA ASN 10 HA ASN 10 -34.122 -4.031 4.399 80 1HB ASN 10 2HB ASN 10 -34.856 -1.915 5.710 81 2HB ASN 10 1HB ASN 10 -34.427 -3.370 6.604 82 1HD2 ASN 10 2HD2 ASN 10 -31.818 -0.212 6.596 83 2HD2 ASN 10 1HD2 ASN 10 -32.825 -0.518 5.226 84 H TYR 11 H TYR 11 -31.833 -1.351 4.266 85 HA TYR 11 HA TYR 11 -32.009 0.662 3.098 86 1HB TYR 11 2HB TYR 11 -30.395 -0.862 2.060 87 2HB TYR 11 1HB TYR 11 -31.663 -1.450 0.989 88 HD1 TYR 11 HD2 TYR 11 -29.435 1.350 1.755 89 HD2 TYR 11 HD1 TYR 11 -32.448 -0.103 -0.871 90 HE1 TYR 11 HE2 TYR 11 -28.876 3.125 0.156 91 HE2 TYR 11 HE1 TYR 11 -31.907 1.677 -2.481 92 HH TYR 11 HH TYR 11 -29.155 3.400 -2.458 93 HA PRO 12 HA PRO 12 -36.108 1.391 1.408 94 1HB PRO 12 2HB PRO 12 -35.724 3.928 0.499 95 2HB PRO 12 1HB PRO 12 -35.974 3.537 2.203 96 1HG PRO 12 2HG PRO 12 -33.426 4.088 0.739 97 2HG PRO 12 1HG PRO 12 -33.940 4.637 2.345 98 1HD PRO 12 2HD PRO 12 -32.226 2.574 1.969 99 2HD PRO 12 1HD PRO 12 -33.339 2.655 3.351 100 H VAL 13 H VAL 13 -36.303 0.050 -0.318 101 HA VAL 13 HA VAL 13 -34.803 0.092 -2.675 102 HB VAL 13 HB VAL 13 -37.684 -0.779 -2.516 103 1HG1 VAL 13 3HG1 VAL 13 -35.366 -1.396 -4.295 104 2HG1 VAL 13 2HG1 VAL 13 -36.618 -2.610 -4.038 105 3HG1 VAL 13 1HG1 VAL 13 -37.041 -1.037 -4.712 106 1HG2 VAL 13 3HG2 VAL 13 -35.221 -2.098 -1.423 107 2HG2 VAL 13 2HG2 VAL 13 -36.773 -1.819 -0.633 108 3HG2 VAL 13 1HG2 VAL 13 -36.637 -3.036 -1.902 109 H SER 14 H SER 14 -36.370 2.654 -1.668 110 HA SER 14 HA SER 14 -38.150 3.415 -3.681 111 1HB SER 14 2HB SER 14 -37.878 5.679 -2.851 112 2HB SER 14 1HB SER 14 -37.913 4.560 -1.488 113 HG SER 14 HG SER 14 -35.773 6.030 -2.544 114 H LYS 15 H LYS 15 -34.881 2.828 -4.027 115 HA LYS 15 HA LYS 15 -34.850 3.913 -6.661 116 1HB LYS 15 2HB LYS 15 -32.565 5.204 -5.515 117 2HB LYS 15 1HB LYS 15 -33.928 5.937 -6.342 118 1HG LYS 15 2HG LYS 15 -35.088 6.322 -4.338 119 2HG LYS 15 1HG LYS 15 -34.056 5.218 -3.431 120 1HD LYS 15 2HD LYS 15 -32.201 6.988 -4.260 121 2HD LYS 15 1HD LYS 15 -33.613 8.042 -4.223 122 1HE LYS 15 2HE LYS 15 -32.678 6.319 -1.931 123 2HE LYS 15 1HE LYS 15 -32.340 8.041 -2.102 124 1HZ LYS 15 1HZ LYS 15 -34.862 8.282 -2.233 125 2HZ LYS 15 3HZ LYS 15 -34.929 6.714 -1.599 126 3HZ LYS 15 2HZ LYS 15 -34.186 7.953 -0.720 127 H CYS 16 H CYS 16 -33.610 2.690 -7.868 128 HA CYS 16 HA CYS 16 -31.048 1.690 -7.088 129 1HB CYS 16 2HB CYS 16 -33.260 -0.349 -7.433 130 2HB CYS 16 1HB CYS 16 -31.557 -0.692 -7.185 131 H GLN 17 H GLN 17 -32.950 2.893 -9.320 132 HA GLN 17 HA GLN 17 -32.223 1.153 -11.544 133 1HB GLN 17 2HB GLN 17 -33.789 3.730 -11.633 134 2HB GLN 17 1HB GLN 17 -33.693 2.501 -12.886 135 1HG GLN 17 2HG GLN 17 -35.373 1.332 -11.984 136 2HG GLN 17 1HG GLN 17 -34.623 1.370 -10.390 137 1HE2 GLN 17 2HE2 GLN 17 -36.371 4.287 -9.334 138 2HE2 GLN 17 1HE2 GLN 17 -34.834 3.504 -9.243 139 H LEU 18 H LEU 18 -30.536 3.287 -9.892 140 HA LEU 18 HA LEU 18 -28.806 3.888 -12.098 141 1HB LEU 18 2HB LEU 18 -29.269 6.432 -10.736 142 2HB LEU 18 1HB LEU 18 -29.158 6.083 -12.447 143 HG LEU 18 HG LEU 18 -31.566 5.415 -12.405 144 1HD1 LEU 18 3HD1 LEU 18 -31.185 6.057 -9.534 145 2HD1 LEU 18 2HD1 LEU 18 -32.704 6.550 -10.284 146 3HD1 LEU 18 1HD1 LEU 18 -32.224 4.855 -10.295 147 1HD2 LEU 18 1HD2 LEU 18 -30.818 8.195 -11.529 148 2HD2 LEU 18 3HD2 LEU 18 -30.953 7.593 -13.181 149 3HD2 LEU 18 2HD2 LEU 18 -32.395 7.744 -12.177 150 H ALA 19 H ALA 19 -26.763 4.116 -11.481 151 HA ALA 19 HA ALA 19 -25.940 3.301 -8.941 152 1HB ALA 19 3HB ALA 19 -24.537 4.557 -11.258 153 2HB ALA 19 2HB ALA 19 -23.684 4.275 -9.742 154 3HB ALA 19 1HB ALA 19 -24.395 2.919 -10.619 155 H ASN 20 H ASN 20 -26.138 4.374 -7.098 156 HA ASN 20 HA ASN 20 -24.915 6.857 -6.643 157 1HB ASN 20 2HB ASN 20 -26.889 7.657 -7.956 158 2HB ASN 20 1HB ASN 20 -27.932 7.011 -6.693 159 1HD2 ASN 20 2HD2 ASN 20 -25.675 9.597 -4.741 160 2HD2 ASN 20 1HD2 ASN 20 -25.211 7.993 -5.181 161 H GLN 21 H GLN 21 -27.620 7.189 -4.895 162 HA GLN 21 HA GLN 21 -27.010 7.003 -2.424 163 1HB GLN 21 2HB GLN 21 -29.356 6.998 -3.261 164 2HB GLN 21 1HB GLN 21 -29.268 5.246 -3.392 165 1HG GLN 21 2HG GLN 21 -30.399 5.897 -1.353 166 2HG GLN 21 1HG GLN 21 -28.877 5.088 -0.987 167 1HE2 GLN 21 2HE2 GLN 21 -27.872 7.651 1.077 168 2HE2 GLN 21 1HE2 GLN 21 -27.958 5.963 0.717 169 H CYS 22 H CYS 22 -28.054 3.830 -3.649 170 HA CYS 22 HA CYS 22 -26.818 2.347 -1.636 171 1HB CYS 22 2HB CYS 22 -28.595 1.657 -3.411 172 2HB CYS 22 1HB CYS 22 -27.198 1.220 -4.388 173 H ASN 23 H ASN 23 -25.703 3.026 -4.946 174 HA ASN 23 HA ASN 23 -23.326 1.605 -4.887 175 1HB ASN 23 2HB ASN 23 -24.358 2.813 -6.870 176 2HB ASN 23 1HB ASN 23 -23.637 4.289 -6.234 177 1HD2 ASN 23 2HD2 ASN 23 -21.438 2.554 -8.760 178 2HD2 ASN 23 1HD2 ASN 23 -23.122 2.936 -8.746 179 H TYR 24 H TYR 24 -23.502 5.140 -4.504 180 HA TYR 24 HA TYR 24 -20.984 5.544 -3.472 181 1HB TYR 24 2HB TYR 24 -21.856 7.608 -3.786 182 2HB TYR 24 1HB TYR 24 -23.501 7.031 -3.556 183 HD1 TYR 24 HD2 TYR 24 -20.447 7.631 -1.479 184 HD2 TYR 24 HD1 TYR 24 -24.673 7.967 -1.817 185 HE1 TYR 24 HE2 TYR 24 -20.527 8.742 0.707 186 HE2 TYR 24 HE1 TYR 24 -24.765 9.080 0.371 187 HH TYR 24 HH TYR 24 -23.558 9.463 2.299 188 H ASP 25 H ASP 25 -23.924 4.588 -1.763 189 HA ASP 25 HA ASP 25 -23.024 4.868 0.854 190 1HB ASP 25 2HB ASP 25 -25.038 3.082 -0.458 191 2HB ASP 25 1HB ASP 25 -24.634 2.814 1.231 192 H CYS 26 H CYS 26 -23.066 1.789 -0.998 193 HA CYS 26 HA CYS 26 -21.453 0.395 0.810 194 1HB CYS 26 2HB CYS 26 -21.402 -0.060 -2.180 195 2HB CYS 26 1HB CYS 26 -21.109 -1.234 -0.907 196 H LYS 27 H LYS 27 -20.663 2.467 -1.912 197 HA LYS 27 HA LYS 27 -17.920 2.011 -2.087 198 1HB LYS 27 2HB LYS 27 -19.733 3.600 -3.396 199 2HB LYS 27 1HB LYS 27 -18.732 4.795 -2.590 200 1HG LYS 27 2HG LYS 27 -16.760 3.950 -3.655 201 2HG LYS 27 1HG LYS 27 -17.655 2.586 -4.327 202 1HD LYS 27 2HD LYS 27 -17.556 4.038 -6.128 203 2HD LYS 27 1HD LYS 27 -19.128 4.422 -5.428 204 1HE LYS 27 2HE LYS 27 -17.439 6.114 -4.061 205 2HE LYS 27 1HE LYS 27 -16.731 6.085 -5.675 206 1HZ LYS 27 3HZ LYS 27 -19.627 6.432 -5.452 207 2HZ LYS 27 2HZ LYS 27 -18.642 7.745 -5.046 208 3HZ LYS 27 1HZ LYS 27 -18.548 7.064 -6.591 209 H LEU 28 H LEU 28 -19.394 2.976 0.667 210 HA LEU 28 HA LEU 28 -16.933 3.980 1.762 211 1HB LEU 28 2HB LEU 28 -17.845 5.991 0.665 212 2HB LEU 28 1HB LEU 28 -19.299 5.850 1.632 213 HG LEU 28 HG LEU 28 -17.677 7.576 2.427 214 1HD1 LEU 28 2HD1 LEU 28 -19.293 5.973 3.894 215 2HD1 LEU 28 1HD1 LEU 28 -17.740 5.671 4.671 216 3HD1 LEU 28 3HD1 LEU 28 -18.361 7.316 4.551 217 1HD2 LEU 28 3HD2 LEU 28 -15.689 6.061 1.847 218 2HD2 LEU 28 2HD2 LEU 28 -15.596 7.031 3.317 219 3HD2 LEU 28 1HD2 LEU 28 -15.981 5.313 3.418 220 H ASP 29 H ASP 29 -20.422 3.563 2.248 221 HA ASP 29 HA ASP 29 -20.289 3.553 5.081 222 1HB ASP 29 2HB ASP 29 -22.357 2.484 3.157 223 2HB ASP 29 1HB ASP 29 -22.559 2.450 4.905 224 H LYS 30 H LYS 30 -19.389 1.264 2.728 225 HA LYS 30 HA LYS 30 -18.890 -0.713 4.823 226 1HB LYS 30 2HB LYS 30 -20.465 -1.224 2.308 227 2HB LYS 30 1HB LYS 30 -19.666 -2.518 3.190 228 1HG LYS 30 2HG LYS 30 -21.537 -0.674 4.610 229 2HG LYS 30 1HG LYS 30 -22.163 -2.010 3.640 230 1HD LYS 30 2HD LYS 30 -20.848 -3.591 4.955 231 2HD LYS 30 1HD LYS 30 -20.190 -2.262 5.910 232 1HE LYS 30 2HE LYS 30 -22.300 -1.782 6.868 233 2HE LYS 30 1HE LYS 30 -23.139 -2.812 5.710 234 1HZ LYS 30 3HZ LYS 30 -21.780 -4.688 6.729 235 2HZ LYS 30 2HZ LYS 30 -21.452 -3.618 7.998 236 3HZ LYS 30 1HZ LYS 30 -23.049 -4.061 7.657 237 H HIS 31 H HIS 31 -17.340 1.170 3.055 238 HA HIS 31 HA HIS 31 -15.525 1.186 1.656 239 1HB HIS 31 2HB HIS 31 -14.067 -1.022 2.693 240 2HB HIS 31 1HB HIS 31 -13.927 0.670 3.150 241 HD1 HIS 31 HD1 HIS 31 -14.584 -2.532 4.559 242 HD2 HIS 31 HD2 HIS 31 -15.979 1.320 5.259 243 HE1 HIS 31 HE1 HIS 31 -15.562 -2.580 6.876 244 HE2 HIS 31 HE2 HIS 31 -16.426 -0.247 7.267 245 H ALA 32 H ALA 32 -17.645 -0.186 0.443 246 HA ALA 32 HA ALA 32 -16.555 -2.613 -0.724 247 1HB ALA 32 1HB ALA 32 -19.089 -1.943 -0.141 248 2HB ALA 32 3HB ALA 32 -19.041 -1.436 -1.828 249 3HB ALA 32 2HB ALA 32 -18.672 -3.105 -1.399 250 H ARG 33 H ARG 33 -17.289 -2.610 -3.283 251 HA ARG 33 HA ARG 33 -15.518 -0.613 -4.479 252 1HB ARG 33 2HB ARG 33 -15.427 -3.191 -4.850 253 2HB ARG 33 1HB ARG 33 -16.765 -2.914 -5.953 254 1HG ARG 33 2HG ARG 33 -14.109 -1.515 -6.147 255 2HG ARG 33 1HG ARG 33 -14.523 -2.985 -7.030 256 1HD ARG 33 2HD ARG 33 -16.616 -1.523 -7.742 257 2HD ARG 33 1HD ARG 33 -15.508 -0.200 -7.392 258 HE ARG 33 HE ARG 33 -14.019 -1.754 -8.988 259 1HH1 ARG 33 1HH2 ARG 33 -17.290 -0.598 -9.273 260 2HH1 ARG 33 2HH2 ARG 33 -17.272 -0.570 -11.004 261 1HH2 ARG 33 1HH1 ARG 33 -15.387 -1.209 -12.145 262 2HH2 ARG 33 2HH1 ARG 33 -13.978 -1.720 -11.276 263 H SER 34 H SER 34 -18.788 -1.885 -4.711 264 HA SER 34 HA SER 34 -19.807 0.616 -5.668 265 1HB SER 34 2HB SER 34 -20.281 0.137 -7.852 266 2HB SER 34 1HB SER 34 -18.887 -0.931 -7.685 267 HG SER 34 HG SER 34 -21.616 -1.552 -7.759 268 H GLY 35 H GLY 35 -22.282 0.241 -6.231 269 1HA GLY 35 2HA GLY 35 -23.431 -2.002 -4.813 270 2HA GLY 35 1HA GLY 35 -23.626 -0.463 -3.995 271 H GLU 36 H GLU 36 -25.549 -2.335 -5.157 272 HA GLU 36 HA GLU 36 -27.418 -0.520 -6.161 273 1HB GLU 36 2HB GLU 36 -25.724 -1.808 -8.193 274 2HB GLU 36 1HB GLU 36 -27.442 -2.073 -8.460 275 1HG GLU 36 2HG GLU 36 -27.638 0.492 -8.154 276 2HG GLU 36 1HG GLU 36 -25.905 0.488 -8.470 277 H CYS 37 H CYS 37 -29.473 -1.583 -6.586 278 HA CYS 37 HA CYS 37 -29.644 -4.007 -5.025 279 1HB CYS 37 2HB CYS 37 -32.012 -2.640 -6.217 280 2HB CYS 37 1HB CYS 37 -31.890 -3.526 -4.703 281 H PHE 38 H PHE 38 -30.514 -5.915 -5.601 282 HA PHE 38 HA PHE 38 -31.237 -6.351 -8.396 283 1HB PHE 38 2HB PHE 38 -28.967 -7.726 -6.964 284 2HB PHE 38 1HB PHE 38 -29.776 -8.457 -8.347 285 HD1 PHE 38 HD1 PHE 38 -29.634 -7.409 -10.563 286 HD2 PHE 38 HD2 PHE 38 -27.446 -5.919 -7.233 287 HE1 PHE 38 HE1 PHE 38 -28.181 -6.139 -12.091 288 HE2 PHE 38 HE2 PHE 38 -25.988 -4.646 -8.752 289 HZ PHE 38 HZ PHE 38 -26.355 -4.754 -11.186 290 H TYR 39 H TYR 39 -32.166 -8.521 -8.726 291 HA TYR 39 HA TYR 39 -34.078 -9.072 -6.686 292 1HB TYR 39 2HB TYR 39 -33.494 -10.209 -9.396 293 2HB TYR 39 1HB TYR 39 -34.669 -10.977 -8.334 294 HD1 TYR 39 HD1 TYR 39 -36.629 -9.631 -7.537 295 HD2 TYR 39 HD2 TYR 39 -34.061 -8.279 -10.635 296 HE1 TYR 39 HE1 TYR 39 -38.367 -8.053 -8.270 297 HE2 TYR 39 HE2 TYR 39 -35.787 -6.693 -11.384 298 HH TYR 39 HH TYR 39 -38.218 -6.411 -11.242 299 H ASP 40 H ASP 40 -34.551 -11.356 -5.995 300 HA ASP 40 HA ASP 40 -32.492 -13.299 -5.908 301 1HB ASP 40 2HB ASP 40 -32.019 -13.122 -3.447 302 2HB ASP 40 1HB ASP 40 -31.344 -11.818 -4.420 303 H GLU 41 H GLU 41 -32.925 -14.886 -4.051 304 HA GLU 41 HA GLU 41 -34.476 -16.652 -3.921 305 1HB GLU 41 2HB GLU 41 -35.076 -14.622 -1.773 306 2HB GLU 41 1HB GLU 41 -35.590 -16.302 -1.718 307 1HG GLU 41 2HG GLU 41 -32.727 -15.385 -1.866 308 2HG GLU 41 1HG GLU 41 -33.565 -15.855 -0.388 309 H LYS 42 H LYS 42 -36.670 -14.284 -2.610 310 HA LYS 42 HA LYS 42 -38.726 -15.214 -4.484 311 1HB LYS 42 2HB LYS 42 -38.928 -13.771 -1.841 312 2HB LYS 42 1HB LYS 42 -40.309 -14.152 -2.860 313 1HG LYS 42 2HG LYS 42 -39.302 -16.592 -2.696 314 2HG LYS 42 1HG LYS 42 -38.611 -15.942 -1.208 315 1HD LYS 42 2HD LYS 42 -40.599 -16.705 -0.383 316 2HD LYS 42 1HD LYS 42 -41.103 -15.085 -0.871 317 1HE LYS 42 2HE LYS 42 -41.694 -16.182 -3.123 318 2HE LYS 42 1HE LYS 42 -41.590 -17.707 -2.245 319 1HZ LYS 42 1HZ LYS 42 -43.173 -15.740 -0.885 320 2HZ LYS 42 3HZ LYS 42 -43.786 -16.120 -2.417 321 3HZ LYS 42 2HZ LYS 42 -43.546 -17.342 -1.274 322 H ARG 43 H ARG 43 -37.412 -13.717 -6.033 323 HA ARG 43 HA ARG 43 -37.159 -11.751 -7.145 324 1HB ARG 43 2HB ARG 43 -40.132 -11.687 -6.612 325 2HB ARG 43 1HB ARG 43 -39.297 -10.808 -7.886 326 1HG ARG 43 2HG ARG 43 -39.271 -13.808 -7.666 327 2HG ARG 43 1HG ARG 43 -40.478 -12.912 -8.588 328 1HD ARG 43 2HD ARG 43 -37.978 -11.900 -9.404 329 2HD ARG 43 1HD ARG 43 -37.796 -13.653 -9.344 330 HE ARG 43 HE ARG 43 -40.138 -12.609 -10.725 331 1HH1 ARG 43 1HH2 ARG 43 -36.922 -13.936 -10.927 332 2HH1 ARG 43 2HH2 ARG 43 -37.073 -14.381 -12.593 333 1HH2 ARG 43 2HH1 ARG 43 -40.342 -13.190 -12.921 334 2HH2 ARG 43 1HH1 ARG 43 -39.015 -13.956 -13.727 335 H ASN 44 H ASN 44 -36.291 -11.230 -4.663 336 HA ASN 44 HA ASN 44 -37.618 -8.746 -3.806 337 1HB ASN 44 2HB ASN 44 -36.215 -10.893 -2.408 338 2HB ASN 44 1HB ASN 44 -35.594 -9.307 -1.959 339 1HD2 ASN 44 2HD2 ASN 44 -39.592 -9.918 -1.344 340 2HD2 ASN 44 1HD2 ASN 44 -38.841 -10.433 -2.811 341 H LEU 45 H LEU 45 -36.767 -6.876 -4.430 342 HA LEU 45 HA LEU 45 -34.128 -6.804 -5.631 343 1HB LEU 45 2HB LEU 45 -36.001 -5.631 -6.699 344 2HB LEU 45 1HB LEU 45 -36.205 -4.639 -5.269 345 HG LEU 45 HG LEU 45 -33.953 -3.669 -5.661 346 1HD1 LEU 45 3HD1 LEU 45 -34.082 -5.387 -8.126 347 2HD1 LEU 45 2HD1 LEU 45 -32.999 -4.006 -7.961 348 3HD1 LEU 45 1HD1 LEU 45 -32.845 -5.382 -6.869 349 1HD2 LEU 45 3HD2 LEU 45 -36.139 -2.714 -6.566 350 2HD2 LEU 45 2HD2 LEU 45 -34.644 -2.155 -7.318 351 3HD2 LEU 45 1HD2 LEU 45 -35.639 -3.363 -8.128 352 H GLN 46 H GLN 46 -32.815 -7.191 -3.822 353 HA GLN 46 HA GLN 46 -32.880 -5.201 -1.659 354 1HB GLN 46 2HB GLN 46 -32.039 -8.006 -1.888 355 2HB GLN 46 1HB GLN 46 -30.950 -7.013 -0.930 356 1HG GLN 46 2HG GLN 46 -32.978 -6.257 0.364 357 2HG GLN 46 1HG GLN 46 -33.870 -7.532 -0.468 358 1HE2 GLN 46 2HE2 GLN 46 -32.930 -9.135 2.593 359 2HE2 GLN 46 1HE2 GLN 46 -34.084 -8.021 1.951 360 H CYS 47 H CYS 47 -31.159 -3.936 -1.071 361 HA CYS 47 HA CYS 47 -29.439 -3.004 -3.089 362 1HB CYS 47 2HB CYS 47 -30.129 -2.275 -0.426 363 2HB CYS 47 1HB CYS 47 -28.376 -2.258 -0.555 364 H ILE 48 H ILE 48 -28.003 -4.396 -3.962 365 HA ILE 48 HA ILE 48 -26.367 -6.072 -2.229 366 HB ILE 48 HB ILE 48 -26.352 -5.947 -5.236 367 1HG1 ILE 48 2HG1 ILE 48 -28.146 -7.337 -3.306 368 2HG1 ILE 48 1HG1 ILE 48 -28.497 -6.708 -4.912 369 1HG2 ILE 48 1HG2 ILE 48 -24.349 -6.919 -4.140 370 2HG2 ILE 48 3HG2 ILE 48 -25.395 -8.115 -3.376 371 3HG2 ILE 48 2HG2 ILE 48 -25.235 -8.074 -5.131 372 1HD1 ILE 48 2HD1 ILE 48 -27.112 -8.648 -5.795 373 2HD1 ILE 48 1HD1 ILE 48 -27.219 -9.312 -4.166 374 3HD1 ILE 48 3HD1 ILE 48 -28.688 -9.028 -5.099 375 H CYS 49 H CYS 49 -24.446 -5.452 -1.525 376 HA CYS 49 HA CYS 49 -23.059 -3.207 -2.797 377 1HB CYS 49 2HB CYS 49 -22.640 -4.674 -0.189 378 2HB CYS 49 1HB CYS 49 -21.520 -3.460 -0.788 379 H ASP 50 H ASP 50 -21.630 -3.644 -4.345 380 HA ASP 50 HA ASP 50 -20.431 -6.301 -4.504 381 1HB ASP 50 2HB ASP 50 -21.426 -4.549 -6.421 382 2HB ASP 50 1HB ASP 50 -19.683 -4.420 -6.623 383 H TYR 51 H TYR 51 -18.311 -6.741 -4.370 384 HA TYR 51 HA TYR 51 -16.562 -4.574 -3.408 385 1HB TYR 51 2HB TYR 51 -16.614 -7.533 -2.887 386 2HB TYR 51 1HB TYR 51 -15.222 -6.537 -2.473 387 HD1 TYR 51 HD1 TYR 51 -15.483 -4.725 -0.767 388 HD2 TYR 51 HD2 TYR 51 -18.557 -7.562 -1.538 389 HE1 TYR 51 HE1 TYR 51 -16.548 -4.147 1.376 390 HE2 TYR 51 HE2 TYR 51 -19.630 -6.993 0.598 391 HH TYR 51 HH TYR 51 -18.080 -5.070 2.980 392 H CYS 52 H CYS 52 -16.993 -6.957 -5.878 393 HA CYS 52 HA CYS 52 -14.575 -6.005 -7.196 394 1HB CYS 52 2HB CYS 52 -14.663 -8.862 -7.568 395 2HB CYS 52 1HB CYS 52 -13.366 -7.877 -6.902 396 H GLU 53 H GLU 53 -17.094 -8.504 -7.549 397 HA GLU 53 HA GLU 53 -18.780 -8.612 -9.130 398 1HB GLU 53 2HB GLU 53 -18.153 -6.082 -9.553 399 2HB GLU 53 1HB GLU 53 -17.370 -6.733 -10.985 400 1HG GLU 53 2HG GLU 53 -19.376 -7.448 -11.911 401 2HG GLU 53 1HG GLU 53 -20.221 -7.395 -10.368 402 H TYR 54 HN TYR 54 -16.008 -7.828 -11.209 403 HA TYR 54 HA TYR 54 -15.667 -10.666 -11.828 404 1HB TYR 54 2HB TYR 54 -17.058 -8.887 -13.514 405 2HB TYR 54 1HB TYR 54 -15.487 -9.113 -14.271 406 HD1 TYR 54 HD2 TYR 54 -17.954 -11.291 -12.497 407 HD2 TYR 54 HD1 TYR 54 -15.484 -10.725 -15.910 408 HE1 TYR 54 HE2 TYR 54 -18.725 -13.446 -13.405 409 HE2 TYR 54 HE1 TYR 54 -16.245 -12.875 -16.829 410 HH TYR 54 HH TYR 54 -18.427 -14.344 -16.510 No H/Q in entry = 410 Start of MODEL 20 1 HN PCA 1 HN PCA 1 -8.734 -12.708 0.533 2 HA PCA 1 HA PCA 1 -9.833 -10.750 -0.628 3 1HB PCA 1 1HB PCA 1 -9.950 -10.996 -2.875 4 2HB PCA 1 2HB PCA 1 -11.282 -12.153 -2.649 5 1HG PCA 1 1HG PCA 1 -8.602 -12.726 -3.469 6 2HG PCA 1 2HG PCA 1 -9.872 -13.898 -3.073 7 H ASP 2 H ASP 2 -10.828 -13.956 0.195 8 HA ASP 2 HA ASP 2 -12.774 -14.834 1.030 9 1HB ASP 2 2HB ASP 2 -12.067 -13.761 3.023 10 2HB ASP 2 1HB ASP 2 -12.528 -12.170 2.424 11 H LYS 3 H LYS 3 -13.963 -14.897 -0.926 12 HA LYS 3 HA LYS 3 -15.763 -14.497 -2.259 13 1HB LYS 3 2HB LYS 3 -16.853 -12.693 -0.112 14 2HB LYS 3 1HB LYS 3 -17.740 -13.680 -1.266 15 1HG LYS 3 2HG LYS 3 -16.860 -15.703 -0.118 16 2HG LYS 3 1HG LYS 3 -16.149 -14.642 1.100 17 1HD LYS 3 2HD LYS 3 -19.045 -14.337 0.478 18 2HD LYS 3 1HD LYS 3 -18.537 -15.731 1.435 19 1HE LYS 3 2HE LYS 3 -17.917 -12.849 2.072 20 2HE LYS 3 1HE LYS 3 -19.179 -13.814 2.835 21 1HZ LYS 3 3HZ LYS 3 -16.647 -15.120 2.930 22 2HZ LYS 3 2HZ LYS 3 -16.577 -13.594 3.654 23 3HZ LYS 3 1HZ LYS 3 -17.704 -14.734 4.194 24 H CYS 4 H CYS 4 -17.341 -12.319 -2.732 25 HA CYS 4 HA CYS 4 -15.693 -9.967 -3.023 26 1HB CYS 4 2HB CYS 4 -16.360 -11.764 -5.325 27 2HB CYS 4 1HB CYS 4 -16.205 -10.030 -5.585 28 H LYS 5 H LYS 5 -18.689 -11.643 -3.886 29 HA LYS 5 HA LYS 5 -20.095 -9.068 -4.030 30 1HB LYS 5 2HB LYS 5 -20.646 -10.304 -5.919 31 2HB LYS 5 1HB LYS 5 -20.681 -11.826 -5.041 32 1HG LYS 5 2HG LYS 5 -22.699 -9.803 -4.264 33 2HG LYS 5 1HG LYS 5 -22.890 -10.550 -5.850 34 1HD LYS 5 2HD LYS 5 -22.336 -12.331 -3.532 35 2HD LYS 5 1HD LYS 5 -23.947 -11.618 -3.663 36 1HE LYS 5 2HE LYS 5 -23.893 -13.792 -4.744 37 2HE LYS 5 1HE LYS 5 -24.150 -12.518 -5.935 38 1HZ LYS 5 1HZ LYS 5 -21.468 -13.637 -5.365 39 2HZ LYS 5 3HZ LYS 5 -22.494 -14.294 -6.539 40 3HZ LYS 5 2HZ LYS 5 -21.949 -12.701 -6.689 41 H LYS 6 H LYS 6 -21.729 -8.510 -2.672 42 HA LYS 6 HA LYS 6 -22.699 -10.433 -0.708 43 1HB LYS 6 2HB LYS 6 -21.797 -7.744 0.276 44 2HB LYS 6 1HB LYS 6 -22.109 -9.210 1.196 45 1HG LYS 6 2HG LYS 6 -20.095 -10.213 0.059 46 2HG LYS 6 1HG LYS 6 -19.744 -8.595 -0.553 47 1HD LYS 6 2HD LYS 6 -19.423 -7.736 1.622 48 2HD LYS 6 1HD LYS 6 -20.144 -9.160 2.374 49 1HE LYS 6 2HE LYS 6 -18.278 -10.514 1.784 50 2HE LYS 6 1HE LYS 6 -17.614 -9.254 0.745 51 1HZ LYS 6 2HZ LYS 6 -17.579 -7.900 2.936 52 2HZ LYS 6 1HZ LYS 6 -17.634 -9.417 3.681 53 3HZ LYS 6 3HZ LYS 6 -16.358 -9.031 2.637 54 H VAL 7 H VAL 7 -24.111 -8.611 0.904 55 HA VAL 7 HA VAL 7 -25.605 -6.774 -0.673 56 HB VAL 7 HB VAL 7 -27.184 -8.081 -1.589 57 1HG1 VAL 7 1HG1 VAL 7 -25.705 -10.277 -0.194 58 2HG1 VAL 7 3HG1 VAL 7 -27.190 -10.609 -1.080 59 3HG1 VAL 7 2HG1 VAL 7 -25.810 -9.908 -1.917 60 1HG2 VAL 7 1HG2 VAL 7 -27.825 -9.057 1.197 61 2HG2 VAL 7 3HG2 VAL 7 -28.521 -7.650 0.393 62 3HG2 VAL 7 2HG2 VAL 7 -28.843 -9.269 -0.226 63 H TYR 8 H TYR 8 -27.325 -5.743 0.515 64 HA TYR 8 HA TYR 8 -26.722 -5.630 3.348 65 1HB TYR 8 2HB TYR 8 -27.305 -3.701 1.555 66 2HB TYR 8 1HB TYR 8 -28.912 -3.970 2.222 67 HD1 TYR 8 HD1 TYR 8 -28.189 -4.594 5.052 68 HD2 TYR 8 HD2 TYR 8 -26.739 -1.597 2.402 69 HE1 TYR 8 HE1 TYR 8 -27.629 -3.166 6.976 70 HE2 TYR 8 HE2 TYR 8 -26.174 -0.164 4.319 71 HH TYR 8 HH TYR 8 -27.309 -0.723 7.427 72 H GLU 9 H GLU 9 -27.657 -7.129 4.601 73 HA GLU 9 HA GLU 9 -30.057 -8.469 3.990 74 1HB GLU 9 2HB GLU 9 -29.012 -8.202 6.791 75 2HB GLU 9 1HB GLU 9 -29.832 -9.567 6.049 76 1HG GLU 9 2HG GLU 9 -27.043 -8.635 5.409 77 2HG GLU 9 1HG GLU 9 -27.469 -10.017 6.418 78 H ASN 10 H ASN 10 -29.798 -5.334 4.623 79 HA ASN 10 HA ASN 10 -32.473 -4.820 5.026 80 1HB ASN 10 2HB ASN 10 -32.326 -3.998 7.474 81 2HB ASN 10 1HB ASN 10 -32.542 -5.721 7.189 82 1HD2 ASN 10 2HD2 ASN 10 -30.004 -5.696 9.706 83 2HD2 ASN 10 1HD2 ASN 10 -31.713 -5.543 9.503 84 H TYR 11 H TYR 11 -32.699 -2.824 4.296 85 HA TYR 11 HA TYR 11 -31.437 -0.555 5.287 86 1HB TYR 11 2HB TYR 11 -29.418 -0.509 4.293 87 2HB TYR 11 1HB TYR 11 -29.762 -2.048 3.519 88 HD1 TYR 11 HD2 TYR 11 -31.338 -1.820 1.363 89 HD2 TYR 11 HD1 TYR 11 -28.864 1.266 2.929 90 HE1 TYR 11 HE2 TYR 11 -31.331 -0.719 -0.834 91 HE2 TYR 11 HE1 TYR 11 -28.849 2.376 0.734 92 HH TYR 11 HH TYR 11 -29.398 2.183 -1.432 93 HA PRO 12 HA PRO 12 -34.499 1.887 3.309 94 1HB PRO 12 2HB PRO 12 -32.221 2.869 1.618 95 2HB PRO 12 1HB PRO 12 -33.540 3.789 2.353 96 1HG PRO 12 2HG PRO 12 -31.081 3.631 3.473 97 2HG PRO 12 1HG PRO 12 -32.562 3.785 4.432 98 1HD PRO 12 2HD PRO 12 -30.743 1.510 4.216 99 2HD PRO 12 1HD PRO 12 -32.076 1.767 5.359 100 H VAL 13 H VAL 13 -35.354 -0.106 2.366 101 HA VAL 13 HA VAL 13 -34.589 -1.207 -0.075 102 HB VAL 13 HB VAL 13 -37.449 -1.041 0.850 103 1HG1 VAL 13 2HG1 VAL 13 -36.999 -2.017 -1.372 104 2HG1 VAL 13 1HG1 VAL 13 -35.946 -3.209 -0.610 105 3HG1 VAL 13 3HG1 VAL 13 -37.669 -3.188 -0.236 106 1HG2 VAL 13 2HG2 VAL 13 -35.158 -2.595 1.970 107 2HG2 VAL 13 1HG2 VAL 13 -36.464 -1.760 2.809 108 3HG2 VAL 13 3HG2 VAL 13 -36.780 -3.287 1.987 109 H SER 14 H SER 14 -36.681 1.540 0.625 110 HA SER 14 HA SER 14 -37.766 1.874 -1.943 111 1HB SER 14 2HB SER 14 -38.881 3.530 -0.900 112 2HB SER 14 1HB SER 14 -37.907 3.216 0.537 113 HG SER 14 HG SER 14 -36.922 4.829 -1.552 114 H LYS 15 H LYS 15 -34.930 3.415 -0.433 115 HA LYS 15 HA LYS 15 -34.211 4.926 -2.704 116 1HB LYS 15 2HB LYS 15 -32.881 4.131 -0.165 117 2HB LYS 15 1HB LYS 15 -31.846 4.699 -1.466 118 1HG LYS 15 2HG LYS 15 -32.948 6.805 -1.533 119 2HG LYS 15 1HG LYS 15 -34.217 6.238 -0.445 120 1HD LYS 15 2HD LYS 15 -32.693 7.602 0.811 121 2HD LYS 15 1HD LYS 15 -32.491 5.925 1.316 122 1HE LYS 15 2HE LYS 15 -30.723 6.657 -0.890 123 2HE LYS 15 1HE LYS 15 -30.464 7.643 0.547 124 1HZ LYS 15 2HZ LYS 15 -30.341 5.510 1.817 125 2HZ LYS 15 1HZ LYS 15 -30.320 4.690 0.337 126 3HZ LYS 15 3HZ LYS 15 -29.072 5.764 0.727 127 H CYS 16 H CYS 16 -34.070 3.827 -4.578 128 HA CYS 16 HA CYS 16 -31.738 2.340 -5.138 129 1HB CYS 16 2HB CYS 16 -34.015 0.821 -4.198 130 2HB CYS 16 1HB CYS 16 -33.620 0.359 -5.850 131 H GLN 17 H GLN 17 -31.327 3.241 -7.033 132 HA GLN 17 HA GLN 17 -33.365 3.134 -9.134 133 1HB GLN 17 2HB GLN 17 -31.839 5.556 -8.207 134 2HB GLN 17 1HB GLN 17 -32.391 5.429 -9.873 135 1HG GLN 17 2HG GLN 17 -34.666 5.353 -9.204 136 2HG GLN 17 1HG GLN 17 -34.224 5.159 -7.508 137 1HE2 GLN 17 2HE2 GLN 17 -35.096 8.732 -8.631 138 2HE2 GLN 17 1HE2 GLN 17 -35.754 7.224 -9.160 139 H LEU 18 H LEU 18 -31.559 1.249 -8.982 140 HA LEU 18 HA LEU 18 -29.594 0.346 -9.807 141 1HB LEU 18 2HB LEU 18 -30.739 1.676 -12.251 142 2HB LEU 18 1HB LEU 18 -29.672 0.285 -12.237 143 HG LEU 18 HG LEU 18 -32.396 0.229 -10.956 144 1HD1 LEU 18 1HD1 LEU 18 -31.613 -0.266 -13.811 145 2HD1 LEU 18 3HD1 LEU 18 -33.040 -1.010 -13.087 146 3HD1 LEU 18 2HD1 LEU 18 -32.913 0.747 -13.183 147 1HD2 LEU 18 3HD2 LEU 18 -30.405 -1.852 -11.820 148 2HD2 LEU 18 2HD2 LEU 18 -31.038 -1.551 -10.201 149 3HD2 LEU 18 1HD2 LEU 18 -32.085 -2.232 -11.446 150 H ALA 19 H ALA 19 -27.825 1.373 -8.973 151 HA ALA 19 HA ALA 19 -25.734 2.314 -9.471 152 1HB ALA 19 1HB ALA 19 -26.614 2.777 -11.838 153 2HB ALA 19 3HB ALA 19 -27.011 4.382 -11.221 154 3HB ALA 19 2HB ALA 19 -25.343 3.815 -11.198 155 H ASN 20 H ASN 20 -24.691 3.973 -8.420 156 HA ASN 20 HA ASN 20 -24.390 5.618 -6.897 157 1HB ASN 20 2HB ASN 20 -25.744 6.840 -8.755 158 2HB ASN 20 1HB ASN 20 -27.061 6.792 -7.589 159 1HD2 ASN 20 2HD2 ASN 20 -24.818 8.668 -5.238 160 2HD2 ASN 20 1HD2 ASN 20 -25.391 7.039 -5.274 161 H GLN 21 H GLN 21 -27.930 5.572 -6.692 162 HA GLN 21 HA GLN 21 -28.023 5.582 -3.909 163 1HB GLN 21 2HB GLN 21 -29.862 5.763 -5.986 164 2HB GLN 21 1HB GLN 21 -30.377 4.333 -5.105 165 1HG GLN 21 2HG GLN 21 -31.555 6.138 -4.172 166 2HG GLN 21 1HG GLN 21 -30.288 5.737 -3.013 167 1HE2 GLN 21 1HE2 GLN 21 -28.657 7.186 -2.622 168 2HE2 GLN 21 2HE2 GLN 21 -28.666 8.806 -3.224 169 H CYS 22 H CYS 22 -26.234 3.574 -4.582 170 HA CYS 22 HA CYS 22 -26.903 1.527 -2.823 171 1HB CYS 22 2HB CYS 22 -28.413 0.918 -4.815 172 2HB CYS 22 1HB CYS 22 -26.930 0.528 -5.674 173 H ASN 23 H ASN 23 -25.242 2.053 -5.913 174 HA ASN 23 HA ASN 23 -22.922 0.591 -5.342 175 1HB ASN 23 2HB ASN 23 -23.354 1.296 -7.604 176 2HB ASN 23 1HB ASN 23 -23.388 2.991 -7.127 177 1HD2 ASN 23 1HD2 ASN 23 -21.748 1.583 -9.107 178 2HD2 ASN 23 2HD2 ASN 23 -20.108 1.910 -8.674 179 H TYR 24 H TYR 24 -23.575 4.078 -5.072 180 HA TYR 24 HA TYR 24 -21.163 4.804 -3.859 181 1HB TYR 24 2HB TYR 24 -22.211 6.746 -4.391 182 2HB TYR 24 1HB TYR 24 -23.803 6.017 -4.276 183 HD1 TYR 24 HD1 TYR 24 -21.135 6.564 -1.720 184 HD2 TYR 24 HD2 TYR 24 -25.126 7.365 -2.957 185 HE1 TYR 24 HE1 TYR 24 -21.537 7.778 0.384 186 HE2 TYR 24 HE2 TYR 24 -25.538 8.583 -0.859 187 HH TYR 24 HH TYR 24 -23.404 9.810 1.013 188 H ASP 25 H ASP 25 -24.248 3.773 -2.467 189 HA ASP 25 HA ASP 25 -23.663 4.121 0.222 190 1HB ASP 25 2HB ASP 25 -25.216 1.735 -0.746 191 2HB ASP 25 1HB ASP 25 -25.483 2.716 0.692 192 H CYS 26 H CYS 26 -23.294 1.085 -1.641 193 HA CYS 26 HA CYS 26 -21.991 -0.326 0.375 194 1HB CYS 26 2HB CYS 26 -21.553 -0.556 -2.614 195 2HB CYS 26 1HB CYS 26 -21.083 -1.758 -1.418 196 H LYS 27 H LYS 27 -20.730 1.838 -2.107 197 HA LYS 27 HA LYS 27 -17.999 1.490 -1.559 198 1HB LYS 27 2HB LYS 27 -19.361 2.782 -3.482 199 2HB LYS 27 1HB LYS 27 -18.938 4.160 -2.478 200 1HG LYS 27 2HG LYS 27 -16.676 3.925 -2.877 201 2HG LYS 27 1HG LYS 27 -16.818 2.218 -3.299 202 1HD LYS 27 2HD LYS 27 -16.361 3.663 -5.252 203 2HD LYS 27 1HD LYS 27 -17.875 2.767 -5.391 204 1HE LYS 27 2HE LYS 27 -17.917 5.219 -6.072 205 2HE LYS 27 1HE LYS 27 -19.172 4.678 -4.961 206 1HZ LYS 27 2HZ LYS 27 -16.935 5.553 -3.491 207 2HZ LYS 27 1HZ LYS 27 -17.361 6.755 -4.601 208 3HZ LYS 27 3HZ LYS 27 -18.505 6.179 -3.496 209 H LEU 28 H LEU 28 -20.040 2.253 0.726 210 HA LEU 28 HA LEU 28 -18.074 3.658 2.280 211 1HB LEU 28 2HB LEU 28 -19.303 5.428 0.893 212 2HB LEU 28 1HB LEU 28 -20.694 5.082 1.904 213 HG LEU 28 HG LEU 28 -18.986 5.562 3.862 214 1HD1 LEU 28 3HD1 LEU 28 -17.171 5.837 2.023 215 2HD1 LEU 28 2HD1 LEU 28 -17.865 7.447 1.836 216 3HD1 LEU 28 1HD1 LEU 28 -17.204 6.948 3.393 217 1HD2 LEU 28 2HD2 LEU 28 -21.060 6.814 3.353 218 2HD2 LEU 28 1HD2 LEU 28 -19.752 7.849 3.923 219 3HD2 LEU 28 3HD2 LEU 28 -20.152 7.798 2.206 220 H ASP 29 H ASP 29 -21.486 2.699 2.062 221 HA ASP 29 HA ASP 29 -21.906 2.553 4.865 222 1HB ASP 29 2HB ASP 29 -23.374 1.398 2.497 223 2HB ASP 29 1HB ASP 29 -23.892 1.097 4.152 224 H LYS 30 H LYS 30 -20.287 0.561 2.648 225 HA LYS 30 HA LYS 30 -19.900 -1.475 4.713 226 1HB LYS 30 2HB LYS 30 -21.235 -1.869 2.127 227 2HB LYS 30 1HB LYS 30 -19.923 -3.003 2.413 228 1HG LYS 30 2HG LYS 30 -20.947 -3.736 4.468 229 2HG LYS 30 1HG LYS 30 -22.217 -2.521 4.304 230 1HD LYS 30 2HD LYS 30 -23.056 -3.593 2.320 231 2HD LYS 30 1HD LYS 30 -21.704 -4.727 2.312 232 1HE LYS 30 2HE LYS 30 -22.490 -5.564 4.527 233 2HE LYS 30 1HE LYS 30 -23.913 -4.538 4.353 234 1HZ LYS 30 1HZ LYS 30 -23.193 -6.514 2.281 235 2HZ LYS 30 3HZ LYS 30 -24.091 -6.966 3.642 236 3HZ LYS 30 2HZ LYS 30 -24.695 -5.796 2.579 237 H HIS 31 H HIS 31 -18.579 0.756 2.813 238 HA HIS 31 HA HIS 31 -16.518 1.183 1.954 239 1HB HIS 31 2HB HIS 31 -15.475 -1.004 3.739 240 2HB HIS 31 1HB HIS 31 -14.688 0.500 3.274 241 HD1 HIS 31 HD1 HIS 31 -15.833 -0.860 6.183 242 HD2 HIS 31 HD2 HIS 31 -16.783 2.703 4.266 243 HE1 HIS 31 HE1 HIS 31 -16.772 0.638 7.973 244 HE2 HIS 31 HE2 HIS 31 -17.357 2.782 6.787 245 H ALA 32 H ALA 32 -18.093 -0.712 0.518 246 HA ALA 32 HA ALA 32 -16.287 -2.806 -0.359 247 1HB ALA 32 1HB ALA 32 -18.933 -2.814 -0.155 248 2HB ALA 32 3HB ALA 32 -18.815 -2.240 -1.817 249 3HB ALA 32 2HB ALA 32 -18.089 -3.783 -1.362 250 H ARG 33 H ARG 33 -16.793 -2.960 -3.052 251 HA ARG 33 HA ARG 33 -15.266 -0.668 -4.046 252 1HB ARG 33 2HB ARG 33 -15.756 -3.436 -5.135 253 2HB ARG 33 1HB ARG 33 -15.000 -2.167 -6.092 254 1HG ARG 33 2HG ARG 33 -13.963 -3.265 -3.486 255 2HG ARG 33 1HG ARG 33 -13.343 -3.642 -5.094 256 1HD ARG 33 2HD ARG 33 -13.101 -1.032 -5.263 257 2HD ARG 33 1HD ARG 33 -13.102 -1.130 -3.503 258 HE ARG 33 HE ARG 33 -11.258 -2.961 -4.167 259 1HH1 ARG 33 1HH2 ARG 33 -11.728 0.341 -5.172 260 2HH1 ARG 33 2HH2 ARG 33 -10.043 0.635 -5.442 261 1HH2 ARG 33 2HH1 ARG 33 -9.037 -2.583 -4.520 262 2HH2 ARG 33 1HH1 ARG 33 -8.513 -1.024 -5.064 263 H SER 34 H SER 34 -18.179 -2.555 -4.804 264 HA SER 34 HA SER 34 -19.435 -0.200 -5.894 265 1HB SER 34 2HB SER 34 -19.832 -1.055 -8.118 266 2HB SER 34 1HB SER 34 -18.095 -1.080 -7.811 267 HG SER 34 HG SER 34 -19.344 -3.054 -8.708 268 H GLY 35 H GLY 35 -21.400 -1.703 -7.409 269 1HA GLY 35 2HA GLY 35 -22.647 -3.817 -6.289 270 2HA GLY 35 1HA GLY 35 -23.056 -2.517 -5.181 271 H GLU 36 H GLU 36 -25.247 -3.308 -5.988 272 HA GLU 36 HA GLU 36 -26.368 -1.335 -7.642 273 1HB GLU 36 2HB GLU 36 -25.129 -2.957 -9.287 274 2HB GLU 36 1HB GLU 36 -26.518 -3.997 -9.009 275 1HG GLU 36 2HG GLU 36 -28.007 -2.433 -9.930 276 2HG GLU 36 1HG GLU 36 -26.809 -1.141 -9.874 277 H CYS 37 H CYS 37 -28.688 -1.703 -8.064 278 HA CYS 37 HA CYS 37 -29.868 -3.118 -5.816 279 1HB CYS 37 2HB CYS 37 -31.091 -1.283 -7.885 280 2HB CYS 37 1HB CYS 37 -31.962 -1.990 -6.532 281 H PHE 38 H PHE 38 -31.182 -4.866 -5.937 282 HA PHE 38 HA PHE 38 -32.092 -5.834 -8.523 283 1HB PHE 38 2HB PHE 38 -30.048 -7.227 -6.833 284 2HB PHE 38 1HB PHE 38 -31.180 -8.178 -7.789 285 HD1 PHE 38 HD2 PHE 38 -31.343 -7.569 -10.303 286 HD2 PHE 38 HD1 PHE 38 -28.084 -6.482 -7.793 287 HE1 PHE 38 HE2 PHE 38 -29.916 -7.284 -12.286 288 HE2 PHE 38 HE1 PHE 38 -26.650 -6.193 -9.773 289 HZ PHE 38 HZ PHE 38 -27.566 -6.595 -12.024 290 H TYR 39 H TYR 39 -33.851 -7.243 -8.400 291 HA TYR 39 HA TYR 39 -35.291 -7.147 -5.885 292 1HB TYR 39 2HB TYR 39 -36.032 -8.027 -8.668 293 2HB TYR 39 1HB TYR 39 -37.098 -8.292 -7.295 294 HD1 TYR 39 HD1 TYR 39 -37.956 -6.276 -6.017 295 HD2 TYR 39 HD2 TYR 39 -35.945 -5.943 -9.755 296 HE1 TYR 39 HE1 TYR 39 -38.895 -4.028 -6.315 297 HE2 TYR 39 HE2 TYR 39 -36.875 -3.687 -10.058 298 HH TYR 39 HH TYR 39 -39.117 -2.292 -7.684 299 H ASP 40 H ASP 40 -36.380 -9.077 -5.031 300 HA ASP 40 HA ASP 40 -34.568 -11.367 -5.071 301 1HB ASP 40 2HB ASP 40 -36.318 -12.063 -3.177 302 2HB ASP 40 1HB ASP 40 -34.989 -10.953 -2.855 303 H GLU 41 H GLU 41 -36.110 -13.473 -4.455 304 HA GLU 41 HA GLU 41 -37.209 -14.190 -6.947 305 1HB GLU 41 2HB GLU 41 -37.195 -15.492 -4.243 306 2HB GLU 41 1HB GLU 41 -38.099 -16.198 -5.576 307 1HG GLU 41 2HG GLU 41 -36.145 -16.548 -6.848 308 2HG GLU 41 1HG GLU 41 -35.179 -15.533 -5.776 309 H LYS 42 H LYS 42 -38.468 -11.899 -5.393 310 HA LYS 42 HA LYS 42 -41.232 -12.692 -5.924 311 1HB LYS 42 2HB LYS 42 -40.124 -11.742 -3.321 312 2HB LYS 42 1HB LYS 42 -41.735 -11.206 -3.785 313 1HG LYS 42 2HG LYS 42 -42.520 -13.464 -3.913 314 2HG LYS 42 1HG LYS 42 -40.889 -14.092 -3.670 315 1HD LYS 42 2HD LYS 42 -41.772 -14.294 -1.556 316 2HD LYS 42 1HD LYS 42 -41.001 -12.712 -1.457 317 1HE LYS 42 2HE LYS 42 -43.030 -12.141 -0.605 318 2HE LYS 42 1HE LYS 42 -43.413 -11.945 -2.314 319 1HZ LYS 42 1HZ LYS 42 -43.798 -14.600 -1.175 320 2HZ LYS 42 3HZ LYS 42 -44.881 -13.398 -0.679 321 3HZ LYS 42 2HZ LYS 42 -44.723 -13.768 -2.321 322 H ARG 43 H ARG 43 -39.684 -9.881 -4.456 323 HA ARG 43 HA ARG 43 -39.220 -8.105 -6.328 324 1HB ARG 43 2HB ARG 43 -42.135 -8.579 -6.369 325 2HB ARG 43 1HB ARG 43 -41.673 -6.890 -6.314 326 1HG ARG 43 2HG ARG 43 -40.503 -7.000 -8.327 327 2HG ARG 43 1HG ARG 43 -40.472 -8.761 -8.323 328 1HD ARG 43 2HD ARG 43 -42.147 -7.496 -9.854 329 2HD ARG 43 1HD ARG 43 -42.677 -8.930 -8.974 330 HE ARG 43 HE ARG 43 -44.057 -7.610 -7.702 331 1HH1 ARG 43 1HH2 ARG 43 -41.835 -5.599 -9.475 332 2HH1 ARG 43 2HH2 ARG 43 -42.650 -4.123 -9.080 333 1HH2 ARG 43 2HH1 ARG 43 -45.144 -5.673 -7.178 334 2HH2 ARG 43 1HH1 ARG 43 -44.536 -4.166 -7.775 335 H ASN 44 H ASN 44 -38.314 -8.219 -3.913 336 HA ASN 44 HA ASN 44 -39.686 -6.153 -2.327 337 1HB ASN 44 2HB ASN 44 -38.602 -8.686 -1.613 338 2HB ASN 44 1HB ASN 44 -37.631 -7.461 -0.805 339 1HD2 ASN 44 2HD2 ASN 44 -41.074 -8.527 0.757 340 2HD2 ASN 44 1HD2 ASN 44 -40.151 -9.429 -0.392 341 H LEU 45 H LEU 45 -37.234 -6.377 -4.454 342 HA LEU 45 HA LEU 45 -35.416 -5.106 -4.957 343 1HB LEU 45 2HB LEU 45 -37.382 -3.400 -3.919 344 2HB LEU 45 1HB LEU 45 -35.883 -2.876 -3.176 345 HG LEU 45 HG LEU 45 -36.256 -3.209 -6.150 346 1HD1 LEU 45 1HD1 LEU 45 -37.692 -1.429 -5.038 347 2HD1 LEU 45 3HD1 LEU 45 -36.179 -0.605 -4.661 348 3HD1 LEU 45 2HD1 LEU 45 -36.627 -0.902 -6.342 349 1HD2 LEU 45 3HD2 LEU 45 -33.945 -3.392 -5.292 350 2HD2 LEU 45 2HD2 LEU 45 -34.201 -1.996 -6.338 351 3HD2 LEU 45 1HD2 LEU 45 -34.113 -1.782 -4.590 352 H GLN 46 H GLN 46 -33.316 -4.991 -4.343 353 HA GLN 46 HA GLN 46 -32.629 -4.868 -1.517 354 1HB GLN 46 2HB GLN 46 -32.054 -7.225 -3.299 355 2HB GLN 46 1HB GLN 46 -31.053 -6.869 -1.899 356 1HG GLN 46 2HG GLN 46 -33.433 -6.818 -0.704 357 2HG GLN 46 1HG GLN 46 -33.828 -7.896 -2.041 358 1HE2 GLN 46 2HE2 GLN 46 -31.995 -9.329 1.147 359 2HE2 GLN 46 1HE2 GLN 46 -32.824 -7.816 1.060 360 H CYS 47 H CYS 47 -30.152 -4.881 -1.270 361 HA CYS 47 HA CYS 47 -28.948 -3.427 -3.540 362 1HB CYS 47 2HB CYS 47 -29.393 -2.556 -0.836 363 2HB CYS 47 1HB CYS 47 -27.664 -2.579 -1.160 364 H ILE 48 H ILE 48 -27.510 -4.699 -4.443 365 HA ILE 48 HA ILE 48 -25.971 -6.618 -2.902 366 HB ILE 48 HB ILE 48 -26.007 -6.027 -5.867 367 1HG1 ILE 48 2HG1 ILE 48 -27.348 -8.078 -4.120 368 2HG1 ILE 48 1HG1 ILE 48 -28.073 -7.014 -5.321 369 1HG2 ILE 48 2HG2 ILE 48 -23.827 -6.922 -5.149 370 2HG2 ILE 48 1HG2 ILE 48 -24.649 -8.299 -4.415 371 3HG2 ILE 48 3HG2 ILE 48 -24.707 -8.062 -6.160 372 1HD1 ILE 48 2HD1 ILE 48 -26.897 -8.315 -7.082 373 2HD1 ILE 48 1HD1 ILE 48 -26.367 -9.436 -5.829 374 3HD1 ILE 48 3HD1 ILE 48 -28.087 -9.241 -6.167 375 H CYS 49 H CYS 49 -23.926 -6.316 -2.223 376 HA CYS 49 HA CYS 49 -22.505 -3.896 -3.147 377 1HB CYS 49 2HB CYS 49 -22.330 -5.399 -0.532 378 2HB CYS 49 1HB CYS 49 -21.235 -4.100 -0.990 379 H ASP 50 H ASP 50 -20.853 -4.234 -4.460 380 HA ASP 50 HA ASP 50 -19.559 -6.864 -4.506 381 1HB ASP 50 2HB ASP 50 -20.445 -5.376 -6.568 382 2HB ASP 50 1HB ASP 50 -18.794 -4.775 -6.479 383 H TYR 51 H TYR 51 -17.290 -7.082 -4.507 384 HA TYR 51 HA TYR 51 -15.808 -4.824 -3.321 385 1HB TYR 51 2HB TYR 51 -15.835 -7.715 -2.463 386 2HB TYR 51 1HB TYR 51 -14.616 -6.560 -1.928 387 HD1 TYR 51 HD1 TYR 51 -18.334 -6.895 -2.103 388 HD2 TYR 51 HD2 TYR 51 -14.971 -5.503 0.096 389 HE1 TYR 51 HE1 TYR 51 -19.827 -6.225 -0.274 390 HE2 TYR 51 HE2 TYR 51 -16.452 -4.822 1.937 391 HH TYR 51 HH TYR 51 -19.204 -5.852 2.560 392 H CYS 52 H CYS 52 -16.070 -6.727 -5.916 393 HA CYS 52 HA CYS 52 -13.232 -6.469 -6.568 394 1HB CYS 52 2HB CYS 52 -14.776 -9.027 -7.048 395 2HB CYS 52 1HB CYS 52 -13.084 -8.730 -7.434 396 H GLU 53 H GLU 53 -14.928 -8.477 -8.681 397 HA GLU 53 HA GLU 53 -15.112 -8.026 -10.990 398 1HB GLU 53 2HB GLU 53 -17.463 -7.146 -9.383 399 2HB GLU 53 1HB GLU 53 -17.494 -6.864 -11.120 400 1HG GLU 53 2HG GLU 53 -18.587 -8.949 -10.558 401 2HG GLU 53 1HG GLU 53 -17.139 -9.238 -11.522 402 H TYR 54 HN TYR 54 -13.852 -6.684 -12.108 403 HA TYR 54 HA TYR 54 -13.062 -4.805 -13.117 404 1HB TYR 54 2HB TYR 54 -15.766 -3.704 -12.318 405 2HB TYR 54 1HB TYR 54 -14.635 -2.892 -13.394 406 HD1 TYR 54 HD1 TYR 54 -14.113 -3.883 -15.609 407 HD2 TYR 54 HD2 TYR 54 -17.150 -5.482 -13.095 408 HE1 TYR 54 HE1 TYR 54 -15.060 -5.086 -17.530 409 HE2 TYR 54 HE2 TYR 54 -18.106 -6.691 -15.012 410 HH TYR 54 HH TYR 54 -17.108 -6.089 -18.248 No H/Q in entry = 410 Start of MODEL 21 1 HN PCA 1 HN PCA 1 -19.366 -16.462 5.384 2 HA PCA 1 HA PCA 1 -20.972 -17.223 3.544 3 1HB PCA 1 1HB PCA 1 -22.890 -16.037 3.361 4 2HB PCA 1 2HB PCA 1 -21.980 -14.559 2.968 5 1HG PCA 1 1HG PCA 1 -23.170 -15.343 5.506 6 2HG PCA 1 2HG PCA 1 -22.359 -13.821 5.094 7 H ASP 2 H ASP 2 -20.047 -17.292 1.575 8 HA ASP 2 HA ASP 2 -17.724 -15.689 1.071 9 1HB ASP 2 2HB ASP 2 -19.027 -17.526 -0.928 10 2HB ASP 2 1HB ASP 2 -17.322 -17.110 -0.768 11 H LYS 3 H LYS 3 -18.571 -15.986 -1.933 12 HA LYS 3 HA LYS 3 -19.394 -14.648 -3.578 13 1HB LYS 3 2HB LYS 3 -21.213 -13.376 -1.541 14 2HB LYS 3 1HB LYS 3 -21.468 -13.547 -3.272 15 1HG LYS 3 2HG LYS 3 -21.404 -16.095 -2.758 16 2HG LYS 3 1HG LYS 3 -21.750 -15.578 -1.108 17 1HD LYS 3 2HD LYS 3 -23.609 -14.145 -2.303 18 2HD LYS 3 1HD LYS 3 -23.430 -15.370 -3.559 19 1HE LYS 3 2HE LYS 3 -25.071 -16.317 -2.264 20 2HE LYS 3 1HE LYS 3 -23.628 -17.029 -1.543 21 1HZ LYS 3 1HZ LYS 3 -24.917 -14.569 -0.504 22 2HZ LYS 3 3HZ LYS 3 -25.286 -16.120 0.065 23 3HZ LYS 3 2HZ LYS 3 -23.722 -15.503 0.244 24 H CYS 4 H CYS 4 -18.387 -12.961 -4.444 25 HA CYS 4 HA CYS 4 -16.919 -11.138 -2.799 26 1HB CYS 4 2HB CYS 4 -17.046 -11.849 -5.625 27 2HB CYS 4 1HB CYS 4 -16.850 -10.116 -5.394 28 H LYS 5 H LYS 5 -20.012 -11.200 -2.960 29 HA LYS 5 HA LYS 5 -20.300 -8.292 -2.942 30 1HB LYS 5 2HB LYS 5 -22.600 -9.712 -4.143 31 2HB LYS 5 1HB LYS 5 -21.887 -8.160 -4.564 32 1HG LYS 5 2HG LYS 5 -21.548 -9.531 -6.427 33 2HG LYS 5 1HG LYS 5 -19.989 -9.459 -5.609 34 1HD LYS 5 2HD LYS 5 -19.954 -11.685 -5.324 35 2HD LYS 5 1HD LYS 5 -21.560 -11.677 -4.597 36 1HE LYS 5 2HE LYS 5 -21.410 -13.080 -6.628 37 2HE LYS 5 1HE LYS 5 -22.601 -11.787 -6.761 38 1HZ LYS 5 2HZ LYS 5 -19.988 -11.036 -7.696 39 2HZ LYS 5 1HZ LYS 5 -20.657 -12.322 -8.567 40 3HZ LYS 5 3HZ LYS 5 -21.495 -10.858 -8.442 41 H LYS 6 H LYS 6 -20.980 -7.812 -0.975 42 HA LYS 6 HA LYS 6 -22.618 -9.741 0.502 43 1HB LYS 6 2HB LYS 6 -21.325 -7.232 1.560 44 2HB LYS 6 1HB LYS 6 -21.966 -8.584 2.487 45 1HG LYS 6 2HG LYS 6 -20.228 -10.031 1.438 46 2HG LYS 6 1HG LYS 6 -19.532 -8.578 0.720 47 1HD LYS 6 2HD LYS 6 -18.630 -7.883 2.681 48 2HD LYS 6 1HD LYS 6 -20.008 -8.437 3.631 49 1HE LYS 6 2HE LYS 6 -17.781 -10.145 2.525 50 2HE LYS 6 1HE LYS 6 -18.032 -9.708 4.216 51 1HZ LYS 6 2HZ LYS 6 -20.321 -10.950 2.997 52 2HZ LYS 6 1HZ LYS 6 -18.958 -11.952 3.025 53 3HZ LYS 6 3HZ LYS 6 -19.558 -11.296 4.467 54 H VAL 7 H VAL 7 -24.720 -9.466 0.810 55 HA VAL 7 HA VAL 7 -26.104 -7.225 -0.232 56 HB VAL 7 HB VAL 7 -27.991 -8.428 0.069 57 1HG1 VAL 7 2HG1 VAL 7 -26.088 -10.051 -0.568 58 2HG1 VAL 7 1HG1 VAL 7 -26.334 -10.705 1.054 59 3HG1 VAL 7 3HG1 VAL 7 -27.662 -10.703 -0.107 60 1HG2 VAL 7 3HG2 VAL 7 -27.016 -9.043 2.850 61 2HG2 VAL 7 2HG2 VAL 7 -28.341 -7.983 2.366 62 3HG2 VAL 7 1HG2 VAL 7 -28.494 -9.729 2.174 63 H TYR 8 H TYR 8 -27.181 -5.563 0.814 64 HA TYR 8 HA TYR 8 -25.948 -4.697 3.278 65 1HB TYR 8 2HB TYR 8 -26.570 -3.254 1.233 66 2HB TYR 8 1HB TYR 8 -28.211 -3.314 1.852 67 HD1 TYR 8 HD1 TYR 8 -27.274 -3.166 4.873 68 HD2 TYR 8 HD2 TYR 8 -26.378 -0.883 1.391 69 HE1 TYR 8 HE1 TYR 8 -26.801 -1.230 6.277 70 HE2 TYR 8 HE2 TYR 8 -25.894 1.069 2.802 71 HH TYR 8 HH TYR 8 -26.852 1.655 5.515 72 H GLU 9 H GLU 9 -26.718 -6.315 4.685 73 HA GLU 9 HA GLU 9 -29.459 -6.870 5.101 74 1HB GLU 9 2HB GLU 9 -27.976 -7.372 7.503 75 2HB GLU 9 1HB GLU 9 -28.554 -8.531 6.313 76 1HG GLU 9 2HG GLU 9 -26.489 -8.065 4.984 77 2HG GLU 9 1HG GLU 9 -25.906 -7.111 6.348 78 H ASN 10 H ASN 10 -30.902 -5.480 5.831 79 HA ASN 10 HA ASN 10 -31.799 -4.364 7.783 80 1HB ASN 10 2HB ASN 10 -29.631 -4.154 8.959 81 2HB ASN 10 1HB ASN 10 -29.162 -2.878 7.832 82 1HD2 ASN 10 2HD2 ASN 10 -31.501 -2.085 10.998 83 2HD2 ASN 10 1HD2 ASN 10 -30.890 -3.665 10.659 84 H TYR 11 H TYR 11 -29.931 -3.085 5.116 85 HA TYR 11 HA TYR 11 -30.793 -0.559 4.790 86 1HB TYR 11 2HB TYR 11 -29.367 -1.943 3.223 87 2HB TYR 11 1HB TYR 11 -30.862 -2.536 2.514 88 HD1 TYR 11 HD1 TYR 11 -28.854 0.524 3.113 89 HD2 TYR 11 HD2 TYR 11 -32.014 -1.264 0.893 90 HE1 TYR 11 HE1 TYR 11 -28.885 2.466 1.605 91 HE2 TYR 11 HE2 TYR 11 -32.056 0.676 -0.619 92 HH TYR 11 HH TYR 11 -29.653 2.827 -0.917 93 HA PRO 12 HA PRO 12 -35.264 -0.434 4.778 94 1HB PRO 12 2HB PRO 12 -34.913 1.376 2.429 95 2HB PRO 12 1HB PRO 12 -35.891 1.594 3.884 96 1HG PRO 12 2HG PRO 12 -33.565 2.864 3.573 97 2HG PRO 12 1HG PRO 12 -34.089 2.266 5.157 98 1HD PRO 12 2HD PRO 12 -31.988 1.221 3.339 99 2HD PRO 12 1HD PRO 12 -32.112 1.139 5.107 100 H VAL 13 H VAL 13 -36.648 0.249 2.323 101 HA VAL 13 HA VAL 13 -36.112 -1.611 0.277 102 HB VAL 13 HB VAL 13 -38.656 -2.569 1.181 103 1HG1 VAL 13 3HG1 VAL 13 -35.980 -3.930 0.966 104 2HG1 VAL 13 2HG1 VAL 13 -37.532 -4.751 1.133 105 3HG1 VAL 13 1HG1 VAL 13 -37.195 -3.786 -0.305 106 1HG2 VAL 13 3HG2 VAL 13 -37.677 -1.825 3.441 107 2HG2 VAL 13 2HG2 VAL 13 -38.325 -3.454 3.297 108 3HG2 VAL 13 1HG2 VAL 13 -36.586 -3.197 3.247 109 H SER 14 H SER 14 -36.351 0.550 -0.569 110 HA SER 14 HA SER 14 -38.814 0.928 -1.884 111 1HB SER 14 2HB SER 14 -39.370 3.170 -0.874 112 2HB SER 14 1HB SER 14 -39.650 1.801 0.202 113 HG SER 14 HG SER 14 -38.337 3.851 0.858 114 H LYS 15 H LYS 15 -36.316 3.097 -0.549 115 HA LYS 15 HA LYS 15 -35.954 4.498 -2.993 116 1HB LYS 15 2HB LYS 15 -34.050 4.320 -0.648 117 2HB LYS 15 1HB LYS 15 -34.073 5.565 -1.889 118 1HG LYS 15 2HG LYS 15 -35.981 5.116 0.366 119 2HG LYS 15 1HG LYS 15 -35.104 6.581 -0.083 120 1HD LYS 15 2HD LYS 15 -36.489 6.628 -2.189 121 2HD LYS 15 1HD LYS 15 -37.461 5.334 -1.486 122 1HE LYS 15 2HE LYS 15 -38.337 6.701 0.154 123 2HE LYS 15 1HE LYS 15 -36.989 7.835 0.077 124 1HZ LYS 15 3HZ LYS 15 -38.386 7.720 -2.397 125 2HZ LYS 15 2HZ LYS 15 -39.437 8.111 -1.130 126 3HZ LYS 15 1HZ LYS 15 -38.062 9.054 -1.409 127 H CYS 16 H CYS 16 -35.430 3.187 -4.687 128 HA CYS 16 HA CYS 16 -32.731 2.379 -4.968 129 1HB CYS 16 2HB CYS 16 -34.619 0.401 -3.940 130 2HB CYS 16 1HB CYS 16 -33.823 -0.138 -5.414 131 H GLN 17 H GLN 17 -32.417 2.996 -6.963 132 HA GLN 17 HA GLN 17 -33.118 1.870 -9.270 133 1HB GLN 17 2HB GLN 17 -35.427 3.414 -8.235 134 2HB GLN 17 1HB GLN 17 -35.033 3.708 -9.919 135 1HG GLN 17 2HG GLN 17 -35.149 0.870 -9.119 136 2HG GLN 17 1HG GLN 17 -36.678 1.746 -9.088 137 1HE2 GLN 17 2HE2 GLN 17 -36.836 0.610 -12.418 138 2HE2 GLN 17 1HE2 GLN 17 -37.291 0.271 -10.787 139 H LEU 18 H LEU 18 -33.309 5.115 -7.860 140 HA LEU 18 HA LEU 18 -32.164 6.429 -10.107 141 1HB LEU 18 2HB LEU 18 -32.122 7.510 -7.315 142 2HB LEU 18 1HB LEU 18 -32.237 8.375 -8.834 143 HG LEU 18 HG LEU 18 -34.392 6.713 -7.536 144 1HD1 LEU 18 3HD1 LEU 18 -33.948 9.649 -7.920 145 2HD1 LEU 18 2HD1 LEU 18 -35.574 8.992 -7.737 146 3HD1 LEU 18 1HD1 LEU 18 -34.383 8.770 -6.455 147 1HD2 LEU 18 1HD2 LEU 18 -34.350 8.091 -10.216 148 2HD2 LEU 18 3HD2 LEU 18 -34.506 6.362 -9.912 149 3HD2 LEU 18 2HD2 LEU 18 -35.800 7.461 -9.435 150 H ALA 19 H ALA 19 -30.469 4.457 -9.809 151 HA ALA 19 HA ALA 19 -28.359 3.845 -8.712 152 1HB ALA 19 2HB ALA 19 -28.526 4.356 -11.257 153 2HB ALA 19 1HB ALA 19 -27.555 5.770 -10.844 154 3HB ALA 19 3HB ALA 19 -26.945 4.150 -10.502 155 H ASN 20 H ASN 20 -28.272 4.854 -6.643 156 HA ASN 20 HA ASN 20 -26.205 6.818 -6.455 157 1HB ASN 20 2HB ASN 20 -28.049 8.324 -6.931 158 2HB ASN 20 1HB ASN 20 -29.012 7.598 -5.647 159 1HD2 ASN 20 2HD2 ASN 20 -25.706 9.461 -4.194 160 2HD2 ASN 20 1HD2 ASN 20 -25.589 8.198 -5.368 161 H GLN 21 H GLN 21 -28.692 6.821 -4.048 162 HA GLN 21 HA GLN 21 -27.358 6.412 -1.824 163 1HB GLN 21 2HB GLN 21 -29.965 5.155 -2.625 164 2HB GLN 21 1HB GLN 21 -29.291 4.887 -1.023 165 1HG GLN 21 2HG GLN 21 -29.869 7.594 -2.197 166 2HG GLN 21 1HG GLN 21 -30.946 6.716 -1.113 167 1HE2 GLN 21 2HE2 GLN 21 -27.636 8.608 0.300 168 2HE2 GLN 21 1HE2 GLN 21 -27.884 8.369 -1.392 169 H CYS 22 H CYS 22 -28.791 3.429 -3.122 170 HA CYS 22 HA CYS 22 -27.227 1.637 -1.764 171 1HB CYS 22 2HB CYS 22 -29.236 1.252 -3.355 172 2HB CYS 22 1HB CYS 22 -28.013 1.100 -4.612 173 H ASN 23 H ASN 23 -26.649 2.457 -5.190 174 HA ASN 23 HA ASN 23 -24.219 1.233 -5.527 175 1HB ASN 23 2HB ASN 23 -25.763 2.748 -7.117 176 2HB ASN 23 1HB ASN 23 -24.530 3.949 -6.738 177 1HD2 ASN 23 2HD2 ASN 23 -22.109 2.585 -8.802 178 2HD2 ASN 23 1HD2 ASN 23 -22.550 3.796 -7.653 179 H TYR 24 H TYR 24 -24.443 4.754 -4.994 180 HA TYR 24 HA TYR 24 -21.806 5.206 -4.353 181 1HB TYR 24 2HB TYR 24 -22.843 7.219 -4.574 182 2HB TYR 24 1HB TYR 24 -24.354 6.628 -3.902 183 HD1 TYR 24 HD1 TYR 24 -20.900 7.569 -2.848 184 HD2 TYR 24 HD2 TYR 24 -25.021 7.367 -1.810 185 HE1 TYR 24 HE1 TYR 24 -20.425 8.759 -0.749 186 HE2 TYR 24 HE2 TYR 24 -24.558 8.557 0.290 187 HH TYR 24 HH TYR 24 -22.788 9.080 1.762 188 H ASP 25 H ASP 25 -24.459 4.292 -2.161 189 HA ASP 25 HA ASP 25 -23.149 4.539 0.256 190 1HB ASP 25 2HB ASP 25 -25.257 2.606 -0.679 191 2HB ASP 25 1HB ASP 25 -24.609 2.516 0.952 192 H CYS 26 H CYS 26 -23.460 1.435 -1.510 193 HA CYS 26 HA CYS 26 -21.594 0.046 -0.009 194 1HB CYS 26 2HB CYS 26 -22.109 -0.272 -2.975 195 2HB CYS 26 1HB CYS 26 -21.363 -1.467 -1.925 196 H LYS 27 H LYS 27 -21.128 2.083 -2.845 197 HA LYS 27 HA LYS 27 -18.420 1.613 -3.282 198 1HB LYS 27 2HB LYS 27 -20.159 2.902 -4.698 199 2HB LYS 27 1HB LYS 27 -19.665 4.300 -3.754 200 1HG LYS 27 2HG LYS 27 -17.507 4.280 -4.626 201 2HG LYS 27 1HG LYS 27 -17.643 2.608 -5.175 202 1HD LYS 27 2HD LYS 27 -19.281 3.299 -6.859 203 2HD LYS 27 1HD LYS 27 -19.141 4.971 -6.310 204 1HE LYS 27 2HE LYS 27 -17.772 4.123 -8.379 205 2HE LYS 27 1HE LYS 27 -17.051 5.237 -7.219 206 1HZ LYS 27 3HZ LYS 27 -16.713 2.287 -7.156 207 2HZ LYS 27 2HZ LYS 27 -15.585 3.370 -7.800 208 3HZ LYS 27 1HZ LYS 27 -15.945 3.409 -6.148 209 H LEU 28 H LEU 28 -19.607 2.760 -0.430 210 HA LEU 28 HA LEU 28 -17.038 3.688 0.390 211 1HB LEU 28 2HB LEU 28 -17.901 5.657 -0.860 212 2HB LEU 28 1HB LEU 28 -19.211 5.772 0.301 213 HG LEU 28 HG LEU 28 -16.606 5.704 1.613 214 1HD1 LEU 28 2HD1 LEU 28 -15.890 6.807 -0.462 215 2HD1 LEU 28 1HD1 LEU 28 -17.131 8.036 -0.221 216 3HD1 LEU 28 3HD1 LEU 28 -15.807 7.879 0.934 217 1HD2 LEU 28 2HD2 LEU 28 -18.782 6.374 2.629 218 2HD2 LEU 28 1HD2 LEU 28 -17.485 7.548 2.850 219 3HD2 LEU 28 3HD2 LEU 28 -18.737 7.833 1.640 220 H ASP 29 H ASP 29 -20.514 3.786 1.201 221 HA ASP 29 HA ASP 29 -20.130 4.035 3.985 222 1HB ASP 29 2HB ASP 29 -22.432 3.114 2.288 223 2HB ASP 29 1HB ASP 29 -22.508 2.969 4.039 224 H LYS 30 H LYS 30 -19.208 1.584 2.030 225 HA LYS 30 HA LYS 30 -19.023 -0.264 4.277 226 1HB LYS 30 2HB LYS 30 -20.341 -0.902 1.645 227 2HB LYS 30 1HB LYS 30 -19.636 -2.159 2.652 228 1HG LYS 30 2HG LYS 30 -21.136 -1.098 4.514 229 2HG LYS 30 1HG LYS 30 -22.041 -0.469 3.135 230 1HD LYS 30 2HD LYS 30 -22.045 -2.875 2.268 231 2HD LYS 30 1HD LYS 30 -21.525 -3.332 3.893 232 1HE LYS 30 2HE LYS 30 -23.988 -1.693 3.327 233 2HE LYS 30 1HE LYS 30 -24.002 -3.450 3.482 234 1HZ LYS 30 2HZ LYS 30 -22.648 -2.248 5.669 235 2HZ LYS 30 1HZ LYS 30 -24.205 -1.605 5.516 236 3HZ LYS 30 3HZ LYS 30 -23.991 -3.275 5.678 237 H HIS 31 H HIS 31 -17.464 1.469 2.137 238 HA HIS 31 HA HIS 31 -15.448 1.394 1.083 239 1HB HIS 31 2HB HIS 31 -14.540 -0.940 2.689 240 2HB HIS 31 1HB HIS 31 -13.745 0.602 2.391 241 HD1 HIS 31 HD1 HIS 31 -14.623 -1.087 5.165 242 HD2 HIS 31 HD2 HIS 31 -15.858 2.631 3.778 243 HE1 HIS 31 HE1 HIS 31 -15.455 0.144 7.194 244 HE2 HIS 31 HE2 HIS 31 -16.276 2.359 6.317 245 H ALA 32 H ALA 32 -17.541 -0.143 -0.114 246 HA ALA 32 HA ALA 32 -16.309 -2.611 -1.017 247 1HB ALA 32 3HB ALA 32 -18.857 -2.077 -0.537 248 2HB ALA 32 2HB ALA 32 -18.825 -1.608 -2.236 249 3HB ALA 32 1HB ALA 32 -18.368 -3.243 -1.763 250 H ARG 33 H ARG 33 -16.830 -2.957 -3.544 251 HA ARG 33 HA ARG 33 -15.171 -0.971 -4.895 252 1HB ARG 33 2HB ARG 33 -14.851 -3.551 -4.952 253 2HB ARG 33 1HB ARG 33 -16.160 -3.529 -6.123 254 1HG ARG 33 2HG ARG 33 -13.658 -1.892 -6.421 255 2HG ARG 33 1HG ARG 33 -13.828 -3.525 -7.062 256 1HD ARG 33 2HD ARG 33 -14.598 -2.510 -8.919 257 2HD ARG 33 1HD ARG 33 -16.092 -2.288 -8.011 258 HE ARG 33 HE ARG 33 -15.561 -0.045 -7.717 259 1HH1 ARG 33 1HH2 ARG 33 -12.968 -1.760 -9.288 260 2HH1 ARG 33 2HH2 ARG 33 -12.143 -0.321 -9.787 261 1HH2 ARG 33 2HH1 ARG 33 -14.482 1.860 -8.369 262 2HH2 ARG 33 1HH1 ARG 33 -13.005 1.737 -9.266 263 H SER 34 H SER 34 -18.389 -2.286 -4.889 264 HA SER 34 HA SER 34 -19.554 -0.082 -6.164 265 1HB SER 34 2HB SER 34 -20.192 -1.004 -8.318 266 2HB SER 34 1HB SER 34 -18.435 -1.052 -8.178 267 HG SER 34 HG SER 34 -19.586 -3.019 -8.958 268 H GLY 35 H GLY 35 -21.778 -1.402 -7.370 269 1HA GLY 35 2HA GLY 35 -23.046 -3.469 -6.349 270 2HA GLY 35 1HA GLY 35 -23.027 -2.436 -4.930 271 H GLU 36 H GLU 36 -25.416 -3.181 -5.718 272 HA GLU 36 HA GLU 36 -26.772 -0.776 -6.220 273 1HB GLU 36 2HB GLU 36 -25.806 -1.429 -8.542 274 2HB GLU 36 1HB GLU 36 -27.050 -2.668 -8.539 275 1HG GLU 36 2HG GLU 36 -28.561 -1.188 -9.242 276 2HG GLU 36 1HG GLU 36 -28.260 -0.179 -7.831 277 H CYS 37 H CYS 37 -29.184 -1.363 -6.930 278 HA CYS 37 HA CYS 37 -30.030 -3.372 -5.017 279 1HB CYS 37 2HB CYS 37 -31.085 -0.915 -5.965 280 2HB CYS 37 1HB CYS 37 -32.243 -2.167 -6.395 281 H PHE 38 H PHE 38 -29.888 -5.383 -5.774 282 HA PHE 38 HA PHE 38 -30.691 -5.988 -8.517 283 1HB PHE 38 2HB PHE 38 -29.093 -7.388 -6.417 284 2HB PHE 38 1HB PHE 38 -29.872 -8.359 -7.663 285 HD1 PHE 38 HD1 PHE 38 -27.507 -5.557 -7.128 286 HD2 PHE 38 HD2 PHE 38 -28.942 -8.550 -9.792 287 HE1 PHE 38 HE1 PHE 38 -25.647 -5.076 -8.666 288 HE2 PHE 38 HE2 PHE 38 -27.086 -8.077 -11.333 289 HZ PHE 38 HZ PHE 38 -25.435 -6.338 -10.771 290 H TYR 39 H TYR 39 -32.195 -7.648 -9.017 291 HA TYR 39 HA TYR 39 -34.310 -7.922 -7.010 292 1HB TYR 39 2HB TYR 39 -34.275 -8.361 -9.999 293 2HB TYR 39 1HB TYR 39 -35.650 -8.783 -8.982 294 HD1 TYR 39 HD1 TYR 39 -33.430 -5.865 -9.714 295 HD2 TYR 39 HD2 TYR 39 -37.334 -7.229 -8.720 296 HE1 TYR 39 HE1 TYR 39 -34.276 -3.562 -9.898 297 HE2 TYR 39 HE2 TYR 39 -38.191 -4.933 -8.905 298 HH TYR 39 HH TYR 39 -37.277 -2.731 -10.317 299 H ASP 40 H ASP 40 -35.567 -10.226 -7.908 300 HA ASP 40 HA ASP 40 -33.539 -12.340 -7.620 301 1HB ASP 40 2HB ASP 40 -34.719 -13.441 -5.897 302 2HB ASP 40 1HB ASP 40 -34.697 -11.746 -5.420 303 H GLU 41 H GLU 41 -35.000 -14.561 -7.683 304 HA GLU 41 HA GLU 41 -35.761 -14.743 -10.386 305 1HB GLU 41 2HB GLU 41 -36.051 -17.021 -10.033 306 2HB GLU 41 1HB GLU 41 -34.887 -16.585 -8.790 307 1HG GLU 41 2HG GLU 41 -37.124 -16.231 -7.389 308 2HG GLU 41 1HG GLU 41 -37.711 -17.433 -8.535 309 H LYS 42 H LYS 42 -37.318 -12.811 -8.837 310 HA LYS 42 HA LYS 42 -39.939 -13.665 -9.767 311 1HB LYS 42 2HB LYS 42 -39.939 -14.306 -7.405 312 2HB LYS 42 1HB LYS 42 -39.415 -12.693 -6.948 313 1HG LYS 42 2HG LYS 42 -41.730 -12.830 -6.500 314 2HG LYS 42 1HG LYS 42 -41.537 -11.811 -7.927 315 1HD LYS 42 2HD LYS 42 -41.906 -14.684 -8.491 316 2HD LYS 42 1HD LYS 42 -43.290 -13.892 -7.740 317 1HE LYS 42 2HE LYS 42 -43.600 -12.451 -9.517 318 2HE LYS 42 1HE LYS 42 -41.931 -12.597 -10.063 319 1HZ LYS 42 2HZ LYS 42 -43.372 -15.078 -10.154 320 2HZ LYS 42 1HZ LYS 42 -44.062 -13.885 -11.133 321 3HZ LYS 42 3HZ LYS 42 -42.443 -14.325 -11.350 322 H ARG 43 H ARG 43 -39.032 -11.051 -7.616 323 HA ARG 43 HA ARG 43 -38.528 -9.021 -9.412 324 1HB ARG 43 2HB ARG 43 -40.531 -7.838 -9.730 325 2HB ARG 43 1HB ARG 43 -40.914 -9.495 -10.134 326 1HG ARG 43 2HG ARG 43 -42.568 -9.533 -8.639 327 2HG ARG 43 1HG ARG 43 -41.474 -9.053 -7.347 328 1HD ARG 43 2HD ARG 43 -43.310 -7.461 -7.599 329 2HD ARG 43 1HD ARG 43 -41.753 -6.714 -7.965 330 HE ARG 43 HE ARG 43 -43.353 -7.751 -10.178 331 1HH1 ARG 43 1HH2 ARG 43 -42.071 -5.024 -8.427 332 2HH1 ARG 43 2HH2 ARG 43 -42.398 -3.894 -9.698 333 1HH2 ARG 43 2HH1 ARG 43 -43.786 -6.271 -11.851 334 2HH2 ARG 43 1HH1 ARG 43 -43.374 -4.601 -11.643 335 H ASN 44 H ASN 44 -37.666 -9.858 -6.876 336 HA ASN 44 HA ASN 44 -38.703 -7.935 -4.956 337 1HB ASN 44 2HB ASN 44 -36.516 -10.006 -4.659 338 2HB ASN 44 1HB ASN 44 -37.202 -9.044 -3.353 339 1HD2 ASN 44 2HD2 ASN 44 -40.345 -11.018 -4.649 340 2HD2 ASN 44 1HD2 ASN 44 -39.706 -9.564 -5.328 341 H LEU 45 H LEU 45 -36.475 -7.303 -3.468 342 HA LEU 45 HA LEU 45 -34.498 -6.139 -5.240 343 1HB LEU 45 2HB LEU 45 -36.690 -4.599 -4.022 344 2HB LEU 45 1HB LEU 45 -35.101 -3.892 -3.807 345 HG LEU 45 HG LEU 45 -36.377 -4.593 -6.452 346 1HD1 LEU 45 3HD1 LEU 45 -35.869 -1.944 -5.099 347 2HD1 LEU 45 2HD1 LEU 45 -36.420 -2.144 -6.763 348 3HD1 LEU 45 1HD1 LEU 45 -37.437 -2.682 -5.426 349 1HD2 LEU 45 3HD2 LEU 45 -33.630 -3.809 -5.673 350 2HD2 LEU 45 2HD2 LEU 45 -34.196 -4.760 -7.047 351 3HD2 LEU 45 1HD2 LEU 45 -34.309 -3.000 -7.085 352 H GLN 46 H GLN 46 -32.563 -5.964 -4.308 353 HA GLN 46 HA GLN 46 -32.307 -5.715 -1.428 354 1HB GLN 46 2HB GLN 46 -31.704 -8.203 -2.917 355 2HB GLN 46 1HB GLN 46 -30.467 -7.683 -1.778 356 1HG GLN 46 2HG GLN 46 -33.318 -7.819 -0.907 357 2HG GLN 46 1HG GLN 46 -32.356 -9.293 -1.017 358 1HE2 GLN 46 2HE2 GLN 46 -31.968 -8.224 2.415 359 2HE2 GLN 46 1HE2 GLN 46 -33.164 -8.917 1.379 360 H CYS 47 H CYS 47 -30.491 -4.626 -0.840 361 HA CYS 47 HA CYS 47 -28.989 -3.379 -2.954 362 1HB CYS 47 2HB CYS 47 -29.494 -2.906 -0.122 363 2HB CYS 47 1HB CYS 47 -27.815 -2.601 -0.555 364 H ILE 48 H ILE 48 -27.649 -4.831 -3.926 365 HA ILE 48 HA ILE 48 -25.888 -6.488 -2.323 366 HB ILE 48 HB ILE 48 -26.311 -6.285 -5.292 367 1HG1 ILE 48 2HG1 ILE 48 -26.862 -8.462 -3.266 368 2HG1 ILE 48 1HG1 ILE 48 -28.064 -7.446 -4.052 369 1HG2 ILE 48 1HG2 ILE 48 -24.279 -7.881 -3.752 370 2HG2 ILE 48 3HG2 ILE 48 -24.783 -8.300 -5.390 371 3HG2 ILE 48 2HG2 ILE 48 -24.003 -6.751 -5.078 372 1HD1 ILE 48 3HD1 ILE 48 -26.912 -8.482 -6.219 373 2HD1 ILE 48 2HD1 ILE 48 -26.594 -9.787 -5.076 374 3HD1 ILE 48 1HD1 ILE 48 -28.251 -9.259 -5.376 375 H CYS 49 H CYS 49 -24.048 -5.708 -1.572 376 HA CYS 49 HA CYS 49 -22.716 -3.487 -2.942 377 1HB CYS 49 2HB CYS 49 -22.213 -4.810 -0.262 378 2HB CYS 49 1HB CYS 49 -21.242 -3.492 -0.904 379 H ASP 50 H ASP 50 -21.258 -4.005 -4.464 380 HA ASP 50 HA ASP 50 -20.035 -6.636 -4.487 381 1HB ASP 50 2HB ASP 50 -20.795 -5.923 -6.613 382 2HB ASP 50 1HB ASP 50 -20.050 -4.338 -6.432 383 H TYR 51 H TYR 51 -17.880 -7.095 -4.319 384 HA TYR 51 HA TYR 51 -16.142 -4.910 -3.351 385 1HB TYR 51 2HB TYR 51 -16.594 -7.685 -2.378 386 2HB TYR 51 1HB TYR 51 -14.953 -7.058 -2.275 387 HD1 TYR 51 HD1 TYR 51 -18.458 -6.375 -1.251 388 HD2 TYR 51 HD2 TYR 51 -14.334 -5.602 -0.542 389 HE1 TYR 51 HE1 TYR 51 -19.040 -5.221 0.841 390 HE2 TYR 51 HE2 TYR 51 -14.905 -4.445 1.552 391 HH TYR 51 HH TYR 51 -17.666 -3.243 2.299 392 H CYS 52 H CYS 52 -16.446 -7.652 -5.495 393 HA CYS 52 HA CYS 52 -13.946 -6.871 -6.784 394 1HB CYS 52 2HB CYS 52 -14.062 -9.754 -6.781 395 2HB CYS 52 1HB CYS 52 -12.788 -8.700 -6.178 396 H GLU 53 H GLU 53 -15.264 -6.058 -8.435 397 HA GLU 53 HA GLU 53 -17.188 -7.640 -9.813 398 1HB GLU 53 2HB GLU 53 -17.323 -5.841 -11.376 399 2HB GLU 53 1HB GLU 53 -17.104 -5.124 -9.786 400 1HG GLU 53 2HG GLU 53 -15.283 -5.163 -12.122 401 2HG GLU 53 1HG GLU 53 -15.613 -3.878 -10.963 402 H TYR 54 HN TYR 54 -15.042 -9.248 -9.593 403 HA TYR 54 HA TYR 54 -13.314 -10.326 -10.662 404 1HB TYR 54 2HB TYR 54 -14.517 -11.888 -11.732 405 2HB TYR 54 1HB TYR 54 -15.888 -10.789 -11.725 406 HD1 TYR 54 HD1 TYR 54 -16.317 -9.348 -13.681 407 HD2 TYR 54 HD2 TYR 54 -13.323 -12.365 -13.733 408 HE1 TYR 54 HE1 TYR 54 -16.278 -9.258 -16.145 409 HE2 TYR 54 HE2 TYR 54 -13.270 -12.287 -16.192 410 HH TYR 54 HH TYR 54 -15.235 -11.462 -18.051 No H/Q in entry = 410 Start of MODEL 22 1 HN PCA 1 HN PCA 1 -13.151 -14.649 -5.864 2 HA PCA 1 HA PCA 1 -14.222 -16.899 -6.442 3 1HB PCA 1 1HB PCA 1 -12.877 -18.706 -6.230 4 2HB PCA 1 2HB PCA 1 -12.722 -18.424 -4.481 5 1HG PCA 1 1HG PCA 1 -10.833 -17.785 -6.600 6 2HG PCA 1 2HG PCA 1 -10.630 -17.585 -4.850 7 H ASP 2 H ASP 2 -12.854 -16.133 -3.242 8 HA ASP 2 HA ASP 2 -15.279 -16.895 -1.892 9 1HB ASP 2 2HB ASP 2 -12.594 -15.879 -1.068 10 2HB ASP 2 1HB ASP 2 -13.929 -15.694 0.064 11 H LYS 3 H LYS 3 -15.574 -14.995 0.050 12 HA LYS 3 HA LYS 3 -17.461 -13.338 -0.516 13 1HB LYS 3 2HB LYS 3 -16.942 -12.508 1.500 14 2HB LYS 3 1HB LYS 3 -15.386 -13.305 1.388 15 1HG LYS 3 2HG LYS 3 -14.868 -11.107 1.904 16 2HG LYS 3 1HG LYS 3 -14.581 -11.203 0.171 17 1HD LYS 3 2HD LYS 3 -16.473 -9.939 -0.331 18 2HD LYS 3 1HD LYS 3 -17.243 -10.295 1.214 19 1HE LYS 3 2HE LYS 3 -14.934 -8.441 0.677 20 2HE LYS 3 1HE LYS 3 -16.537 -8.027 1.285 21 1HZ LYS 3 2HZ LYS 3 -15.510 -9.885 3.049 22 2HZ LYS 3 1HZ LYS 3 -14.231 -8.826 2.727 23 3HZ LYS 3 3HZ LYS 3 -15.700 -8.226 3.314 24 H CYS 4 H CYS 4 -18.019 -11.577 -1.649 25 HA CYS 4 HA CYS 4 -16.272 -9.671 -2.745 26 1HB CYS 4 2HB CYS 4 -16.843 -12.058 -4.423 27 2HB CYS 4 1HB CYS 4 -16.912 -10.492 -5.225 28 H LYS 5 H LYS 5 -19.343 -11.204 -2.532 29 HA LYS 5 HA LYS 5 -20.666 -8.682 -3.232 30 1HB LYS 5 2HB LYS 5 -21.694 -11.385 -4.104 31 2HB LYS 5 1HB LYS 5 -22.366 -9.813 -4.512 32 1HG LYS 5 2HG LYS 5 -19.603 -10.664 -5.327 33 2HG LYS 5 1HG LYS 5 -21.033 -10.989 -6.305 34 1HD LYS 5 2HD LYS 5 -21.153 -8.246 -5.622 35 2HD LYS 5 1HD LYS 5 -19.486 -8.562 -6.095 36 1HE LYS 5 2HE LYS 5 -21.964 -9.158 -7.708 37 2HE LYS 5 1HE LYS 5 -20.782 -7.889 -8.024 38 1HZ LYS 5 1HZ LYS 5 -19.181 -9.977 -8.027 39 2HZ LYS 5 3HZ LYS 5 -20.602 -10.759 -8.511 40 3HZ LYS 5 2HZ LYS 5 -19.996 -9.468 -9.419 41 H LYS 6 H LYS 6 -22.116 -8.078 -1.711 42 HA LYS 6 HA LYS 6 -23.456 -10.113 -0.109 43 1HB LYS 6 2HB LYS 6 -21.767 -7.945 1.149 44 2HB LYS 6 1HB LYS 6 -22.823 -9.048 2.021 45 1HG LYS 6 2HG LYS 6 -21.463 -10.936 1.308 46 2HG LYS 6 1HG LYS 6 -20.412 -9.844 0.401 47 1HD LYS 6 2HD LYS 6 -19.495 -8.928 2.316 48 2HD LYS 6 1HD LYS 6 -20.881 -9.367 3.315 49 1HE LYS 6 2HE LYS 6 -19.290 -11.568 2.108 50 2HE LYS 6 1HE LYS 6 -18.570 -10.675 3.446 51 1HZ LYS 6 3HZ LYS 6 -21.317 -11.709 3.680 52 2HZ LYS 6 2HZ LYS 6 -20.003 -12.744 3.932 53 3HZ LYS 6 1HZ LYS 6 -20.195 -11.370 4.900 54 H VAL 7 H VAL 7 -25.516 -9.589 0.187 55 HA VAL 7 HA VAL 7 -26.604 -7.160 -0.745 56 HB VAL 7 HB VAL 7 -28.704 -7.953 -0.131 57 1HG1 VAL 7 1HG1 VAL 7 -26.931 -10.358 -0.513 58 2HG1 VAL 7 3HG1 VAL 7 -28.691 -10.399 -0.607 59 3HG1 VAL 7 2HG1 VAL 7 -27.768 -9.434 -1.757 60 1HG2 VAL 7 1HG2 VAL 7 -27.299 -9.417 2.081 61 2HG2 VAL 7 3HG2 VAL 7 -28.569 -8.199 2.191 62 3HG2 VAL 7 2HG2 VAL 7 -28.948 -9.816 1.598 63 H TYR 8 H TYR 8 -27.792 -5.563 0.512 64 HA TYR 8 HA TYR 8 -26.236 -4.733 2.792 65 1HB TYR 8 2HB TYR 8 -27.033 -3.174 0.985 66 2HB TYR 8 1HB TYR 8 -28.663 -3.382 1.617 67 HD1 TYR 8 HD1 TYR 8 -29.104 -2.722 4.022 68 HD2 TYR 8 HD2 TYR 8 -25.577 -1.593 1.933 69 HE1 TYR 8 HE1 TYR 8 -28.713 -0.930 5.663 70 HE2 TYR 8 HE2 TYR 8 -25.176 0.204 3.562 71 HH TYR 8 HH TYR 8 -27.151 0.546 6.446 72 H GLU 9 H GLU 9 -29.050 -6.478 2.286 73 HA GLU 9 HA GLU 9 -30.944 -6.870 3.601 74 1HB GLU 9 2HB GLU 9 -30.104 -8.109 5.692 75 2HB GLU 9 1HB GLU 9 -29.656 -8.738 4.114 76 1HG GLU 9 2HG GLU 9 -27.458 -8.094 4.327 77 2HG GLU 9 1HG GLU 9 -27.831 -6.841 5.511 78 H ASN 10 H ASN 10 -31.581 -4.659 3.964 79 HA ASN 10 HA ASN 10 -32.373 -4.044 6.472 80 1HB ASN 10 2HB ASN 10 -29.532 -3.414 6.153 81 2HB ASN 10 1HB ASN 10 -30.469 -2.015 6.657 82 1HD2 ASN 10 2HD2 ASN 10 -29.247 -4.120 9.547 83 2HD2 ASN 10 1HD2 ASN 10 -28.468 -3.567 8.108 84 H TYR 11 H TYR 11 -30.924 -2.595 3.607 85 HA TYR 11 HA TYR 11 -32.116 -0.117 3.599 86 1HB TYR 11 2HB TYR 11 -30.610 -1.641 1.814 87 2HB TYR 11 1HB TYR 11 -32.084 -1.282 0.924 88 HD1 TYR 11 HD2 TYR 11 -29.191 0.209 2.664 89 HD2 TYR 11 HD1 TYR 11 -32.527 0.921 0.124 90 HE1 TYR 11 HE2 TYR 11 -28.315 2.449 2.155 91 HE2 TYR 11 HE1 TYR 11 -31.660 3.164 -0.395 92 HH TYR 11 HH TYR 11 -29.456 4.333 -0.388 93 HA PRO 12 HA PRO 12 -36.382 -1.620 3.149 94 1HB PRO 12 2HB PRO 12 -37.637 0.555 4.087 95 2HB PRO 12 1HB PRO 12 -36.805 -0.572 5.164 96 1HG PRO 12 2HG PRO 12 -35.921 2.097 4.161 97 2HG PRO 12 1HG PRO 12 -35.710 1.374 5.764 98 1HD PRO 12 2HD PRO 12 -33.773 1.442 3.780 99 2HD PRO 12 1HD PRO 12 -33.788 0.313 5.149 100 H VAL 13 H VAL 13 -35.612 -1.346 0.790 101 HA VAL 13 HA VAL 13 -35.631 -0.133 -1.241 102 HB VAL 13 HB VAL 13 -38.577 -0.510 -0.821 103 1HG1 VAL 13 3HG1 VAL 13 -37.632 0.362 -2.978 104 2HG1 VAL 13 2HG1 VAL 13 -36.838 -1.200 -3.177 105 3HG1 VAL 13 1HG1 VAL 13 -38.598 -1.107 -3.122 106 1HG2 VAL 13 2HG2 VAL 13 -37.501 -2.434 0.221 107 2HG2 VAL 13 1HG2 VAL 13 -38.299 -2.899 -1.281 108 3HG2 VAL 13 3HG2 VAL 13 -36.547 -2.703 -1.237 109 H SER 14 H SER 14 -35.385 1.880 0.616 110 HA SER 14 HA SER 14 -37.480 3.781 0.557 111 1HB SER 14 2HB SER 14 -36.078 5.140 1.786 112 2HB SER 14 1HB SER 14 -35.342 3.568 2.098 113 HG SER 14 HG SER 14 -34.394 5.715 0.637 114 H LYS 15 H LYS 15 -35.458 2.756 -1.900 115 HA LYS 15 HA LYS 15 -36.382 4.725 -3.704 116 1HB LYS 15 2HB LYS 15 -34.683 6.061 -2.442 117 2HB LYS 15 1HB LYS 15 -33.450 4.949 -3.007 118 1HG LYS 15 2HG LYS 15 -33.325 6.797 -4.439 119 2HG LYS 15 1HG LYS 15 -34.167 5.550 -5.359 120 1HD LYS 15 2HD LYS 15 -36.166 6.666 -5.308 121 2HD LYS 15 1HD LYS 15 -35.807 7.472 -3.781 122 1HE LYS 15 2HE LYS 15 -34.414 9.058 -4.827 123 2HE LYS 15 1HE LYS 15 -34.335 8.120 -6.317 124 1HZ LYS 15 2HZ LYS 15 -36.789 9.420 -5.266 125 2HZ LYS 15 1HZ LYS 15 -35.809 10.054 -6.489 126 3HZ LYS 15 3HZ LYS 15 -36.639 8.602 -6.739 127 H CYS 16 H CYS 16 -33.096 3.496 -3.854 128 HA CYS 16 HA CYS 16 -32.173 2.407 -5.699 129 1HB CYS 16 2HB CYS 16 -33.383 0.717 -3.689 130 2HB CYS 16 1HB CYS 16 -33.334 -0.119 -5.237 131 H GLN 17 H GLN 17 -32.889 3.110 -7.652 132 HA GLN 17 HA GLN 17 -34.954 1.488 -8.935 133 1HB GLN 17 2HB GLN 17 -34.990 4.478 -9.265 134 2HB GLN 17 1HB GLN 17 -36.217 3.312 -9.741 135 1HG GLN 17 2HG GLN 17 -36.541 2.834 -7.288 136 2HG GLN 17 1HG GLN 17 -35.526 4.241 -6.970 137 1HE2 GLN 17 2HE2 GLN 17 -38.106 6.227 -8.885 138 2HE2 GLN 17 1HE2 GLN 17 -36.519 5.682 -9.298 139 H LEU 18 H LEU 18 -31.919 2.629 -8.974 140 HA LEU 18 HA LEU 18 -31.488 1.955 -11.718 141 1HB LEU 18 2HB LEU 18 -31.511 4.813 -10.853 142 2HB LEU 18 1HB LEU 18 -30.270 4.321 -11.987 143 HG LEU 18 HG LEU 18 -33.254 4.286 -12.401 144 1HD1 LEU 18 1HD1 LEU 18 -31.998 6.421 -12.678 145 2HD1 LEU 18 3HD1 LEU 18 -31.068 5.644 -13.959 146 3HD1 LEU 18 2HD1 LEU 18 -32.809 5.857 -14.138 147 1HD2 LEU 18 2HD2 LEU 18 -31.095 2.820 -13.829 148 2HD2 LEU 18 1HD2 LEU 18 -32.778 2.368 -13.551 149 3HD2 LEU 18 3HD2 LEU 18 -32.376 3.554 -14.794 150 H ALA 19 H ALA 19 -29.653 4.296 -9.814 151 HA ALA 19 HA ALA 19 -27.918 2.577 -8.492 152 1HB ALA 19 1HB ALA 19 -27.168 3.131 -11.330 153 2HB ALA 19 3HB ALA 19 -25.907 2.959 -10.110 154 3HB ALA 19 2HB ALA 19 -27.036 1.635 -10.405 155 H ASN 20 H ASN 20 -27.485 3.970 -6.904 156 HA ASN 20 HA ASN 20 -25.750 6.136 -7.231 157 1HB ASN 20 2HB ASN 20 -27.451 7.389 -8.288 158 2HB ASN 20 1HB ASN 20 -28.678 6.834 -7.152 159 1HD2 ASN 20 2HD2 ASN 20 -25.988 9.323 -5.397 160 2HD2 ASN 20 1HD2 ASN 20 -25.489 7.874 -6.194 161 H GLN 21 H GLN 21 -28.635 6.247 -5.200 162 HA GLN 21 HA GLN 21 -27.416 6.832 -2.839 163 1HB GLN 21 2HB GLN 21 -29.950 6.521 -3.490 164 2HB GLN 21 1HB GLN 21 -29.722 4.931 -2.775 165 1HG GLN 21 2HG GLN 21 -30.509 6.172 -1.004 166 2HG GLN 21 1HG GLN 21 -28.764 6.231 -0.761 167 1HE2 GLN 21 2HE2 GLN 21 -28.467 9.671 -1.352 168 2HE2 GLN 21 1HE2 GLN 21 -27.646 8.153 -1.281 169 H CYS 22 H CYS 22 -28.645 3.528 -3.389 170 HA CYS 22 HA CYS 22 -27.085 2.377 -1.381 171 1HB CYS 22 2HB CYS 22 -28.801 1.402 -3.558 172 2HB CYS 22 1HB CYS 22 -27.553 0.264 -3.059 173 H ASN 23 H ASN 23 -26.422 2.747 -4.845 174 HA ASN 23 HA ASN 23 -24.158 1.152 -5.053 175 1HB ASN 23 2HB ASN 23 -25.206 2.250 -6.991 176 2HB ASN 23 1HB ASN 23 -24.669 3.819 -6.399 177 1HD2 ASN 23 2HD2 ASN 23 -22.372 2.326 -9.003 178 2HD2 ASN 23 1HD2 ASN 23 -24.093 2.444 -8.910 179 H TYR 24 H TYR 24 -24.119 4.682 -4.620 180 HA TYR 24 HA TYR 24 -21.459 4.946 -3.903 181 1HB TYR 24 2HB TYR 24 -22.100 7.100 -3.954 182 2HB TYR 24 1HB TYR 24 -23.785 6.605 -3.962 183 HD1 TYR 24 HD1 TYR 24 -21.014 6.752 -1.482 184 HD2 TYR 24 HD2 TYR 24 -25.086 7.612 -2.351 185 HE1 TYR 24 HE1 TYR 24 -21.278 7.703 0.755 186 HE2 TYR 24 HE2 TYR 24 -25.365 8.574 -0.104 187 HH TYR 24 HH TYR 24 -23.576 8.031 2.370 188 H ASP 25 H ASP 25 -24.274 4.259 -1.852 189 HA ASP 25 HA ASP 25 -23.092 4.446 0.633 190 1HB ASP 25 2HB ASP 25 -25.107 2.366 -0.243 191 2HB ASP 25 1HB ASP 25 -24.743 2.799 1.421 192 H CYS 26 H CYS 26 -23.368 1.411 -1.276 193 HA CYS 26 HA CYS 26 -21.659 -0.081 0.358 194 1HB CYS 26 2HB CYS 26 -21.887 -0.325 -2.655 195 2HB CYS 26 1HB CYS 26 -21.333 -1.569 -1.544 196 H LYS 27 H LYS 27 -20.987 1.829 -2.534 197 HA LYS 27 HA LYS 27 -18.196 1.500 -2.545 198 1HB LYS 27 2HB LYS 27 -20.181 2.819 -4.097 199 2HB LYS 27 1HB LYS 27 -18.964 4.022 -3.718 200 1HG LYS 27 2HG LYS 27 -17.879 1.456 -4.694 201 2HG LYS 27 1HG LYS 27 -18.877 2.329 -5.849 202 1HD LYS 27 2HD LYS 27 -16.603 3.001 -6.158 203 2HD LYS 27 1HD LYS 27 -17.493 4.348 -5.450 204 1HE LYS 27 2HE LYS 27 -16.484 2.887 -3.272 205 2HE LYS 27 1HE LYS 27 -15.168 2.963 -4.440 206 1HZ LYS 27 3HZ LYS 27 -16.474 5.479 -4.198 207 2HZ LYS 27 2HZ LYS 27 -15.927 4.940 -2.690 208 3HZ LYS 27 1HZ LYS 27 -14.840 5.091 -3.978 209 H LEU 28 H LEU 28 -19.564 2.561 0.063 210 HA LEU 28 HA LEU 28 -17.359 4.246 0.773 211 1HB LEU 28 2HB LEU 28 -18.781 5.825 -0.485 212 2HB LEU 28 1HB LEU 28 -20.086 5.528 0.645 213 HG LEU 28 HG LEU 28 -18.723 7.663 0.962 214 1HD1 LEU 28 1HD1 LEU 28 -20.200 6.416 2.699 215 2HD1 LEU 28 3HD1 LEU 28 -18.656 5.999 3.443 216 3HD1 LEU 28 2HD1 LEU 28 -19.107 7.689 3.238 217 1HD2 LEU 28 1HD2 LEU 28 -16.540 6.389 0.625 218 2HD2 LEU 28 3HD2 LEU 28 -16.597 7.569 1.935 219 3HD2 LEU 28 2HD2 LEU 28 -16.741 5.847 2.290 220 H ASP 29 H ASP 29 -20.733 3.602 1.739 221 HA ASP 29 HA ASP 29 -20.210 3.811 4.514 222 1HB ASP 29 2HB ASP 29 -22.476 2.746 2.867 223 2HB ASP 29 1HB ASP 29 -22.453 2.460 4.604 224 H LYS 30 H LYS 30 -19.429 1.413 2.284 225 HA LYS 30 HA LYS 30 -18.790 -0.448 4.458 226 1HB LYS 30 2HB LYS 30 -20.312 -1.117 1.942 227 2HB LYS 30 1HB LYS 30 -19.458 -2.338 2.875 228 1HG LYS 30 2HG LYS 30 -20.861 -1.339 4.860 229 2HG LYS 30 1HG LYS 30 -21.916 -0.808 3.549 230 1HD LYS 30 2HD LYS 30 -21.830 -3.220 2.725 231 2HD LYS 30 1HD LYS 30 -21.127 -3.612 4.296 232 1HE LYS 30 2HE LYS 30 -23.871 -2.626 3.636 233 2HE LYS 30 1HE LYS 30 -23.386 -3.987 4.647 234 1HZ LYS 30 1HZ LYS 30 -22.410 -2.223 6.174 235 2HZ LYS 30 3HZ LYS 30 -23.336 -1.106 5.303 236 3HZ LYS 30 2HZ LYS 30 -24.095 -2.364 6.138 237 H HIS 31 H HIS 31 -17.262 1.455 2.778 238 HA HIS 31 HA HIS 31 -15.478 1.512 1.308 239 1HB HIS 31 2HB HIS 31 -13.843 -0.475 2.418 240 2HB HIS 31 1HB HIS 31 -13.942 1.203 2.934 241 HD1 HIS 31 HD1 HIS 31 -13.882 -1.904 4.425 242 HD2 HIS 31 HD2 HIS 31 -16.498 1.303 4.769 243 HE1 HIS 31 HE1 HIS 31 -15.033 -2.212 6.639 244 HE2 HIS 31 HE2 HIS 31 -16.544 -0.208 6.866 245 H ALA 32 H ALA 32 -17.537 -0.049 0.225 246 HA ALA 32 HA ALA 32 -16.396 -2.508 -0.780 247 1HB ALA 32 3HB ALA 32 -18.917 -1.870 -0.265 248 2HB ALA 32 2HB ALA 32 -18.879 -1.361 -1.953 249 3HB ALA 32 1HB ALA 32 -18.495 -3.027 -1.523 250 H ARG 33 H ARG 33 -16.779 -2.825 -3.295 251 HA ARG 33 HA ARG 33 -15.162 -0.761 -4.579 252 1HB ARG 33 2HB ARG 33 -14.425 -3.068 -4.849 253 2HB ARG 33 1HB ARG 33 -15.989 -3.515 -5.518 254 1HG ARG 33 2HG ARG 33 -15.588 -2.457 -7.527 255 2HG ARG 33 1HG ARG 33 -14.381 -1.373 -6.835 256 1HD ARG 33 2HD ARG 33 -13.970 -4.338 -7.080 257 2HD ARG 33 1HD ARG 33 -13.510 -3.205 -8.346 258 HE ARG 33 HE ARG 33 -12.375 -2.319 -5.961 259 1HH1 ARG 33 1HH2 ARG 33 -12.138 -5.034 -8.128 260 2HH1 ARG 33 2HH2 ARG 33 -10.474 -5.346 -7.764 261 1HH2 ARG 33 2HH1 ARG 33 -10.181 -2.719 -5.475 262 2HH2 ARG 33 1HH1 ARG 33 -9.360 -4.028 -6.256 263 H SER 34 H SER 34 -18.369 -2.074 -4.602 264 HA SER 34 HA SER 34 -19.527 0.099 -5.896 265 1HB SER 34 2HB SER 34 -20.154 -1.136 -8.076 266 2HB SER 34 1HB SER 34 -18.530 -0.458 -7.959 267 HG SER 34 HG SER 34 -17.701 -2.417 -7.885 268 H GLY 35 H GLY 35 -21.679 -1.087 -7.211 269 1HA GLY 35 2HA GLY 35 -22.822 -3.305 -5.967 270 2HA GLY 35 1HA GLY 35 -23.269 -1.895 -5.019 271 H GLU 36 H GLU 36 -25.397 -2.972 -5.850 272 HA GLU 36 HA GLU 36 -26.589 -1.159 -7.642 273 1HB GLU 36 2HB GLU 36 -25.184 -2.744 -9.164 274 2HB GLU 36 1HB GLU 36 -26.469 -3.902 -8.846 275 1HG GLU 36 2HG GLU 36 -27.844 -1.615 -9.560 276 2HG GLU 36 1HG GLU 36 -26.440 -1.591 -10.624 277 H CYS 37 H CYS 37 -28.861 -1.588 -7.987 278 HA CYS 37 HA CYS 37 -29.988 -3.109 -5.778 279 1HB CYS 37 2HB CYS 37 -31.570 -1.475 -7.741 280 2HB CYS 37 1HB CYS 37 -31.939 -1.838 -6.059 281 H PHE 38 H PHE 38 -30.200 -5.232 -6.205 282 HA PHE 38 HA PHE 38 -31.209 -6.085 -8.826 283 1HB PHE 38 2HB PHE 38 -29.743 -7.429 -6.595 284 2HB PHE 38 1HB PHE 38 -30.785 -8.419 -7.610 285 HD1 PHE 38 HD2 PHE 38 -28.036 -5.920 -7.840 286 HD2 PHE 38 HD1 PHE 38 -29.959 -9.298 -9.575 287 HE1 PHE 38 HE2 PHE 38 -26.247 -6.070 -9.522 288 HE2 PHE 38 HE1 PHE 38 -28.173 -9.453 -11.260 289 HZ PHE 38 HZ PHE 38 -26.315 -7.837 -11.236 290 H TYR 39 H TYR 39 -32.801 -8.018 -8.673 291 HA TYR 39 HA TYR 39 -34.964 -7.170 -6.884 292 1HB TYR 39 2HB TYR 39 -34.845 -8.348 -9.580 293 2HB TYR 39 1HB TYR 39 -36.129 -8.983 -8.555 294 HD1 TYR 39 HD1 TYR 39 -37.854 -7.451 -7.641 295 HD2 TYR 39 HD2 TYR 39 -34.941 -6.137 -10.458 296 HE1 TYR 39 HE1 TYR 39 -39.227 -5.470 -8.131 297 HE2 TYR 39 HE2 TYR 39 -36.310 -4.152 -10.952 298 HH TYR 39 HH TYR 39 -38.891 -3.598 -10.764 299 H ASP 40 H ASP 40 -32.595 -9.498 -7.066 300 HA ASP 40 HA ASP 40 -32.228 -11.511 -6.070 301 1HB ASP 40 2HB ASP 40 -33.511 -11.666 -3.763 302 2HB ASP 40 1HB ASP 40 -32.194 -10.523 -3.996 303 H GLU 41 H GLU 41 -33.139 -13.585 -5.380 304 HA GLU 41 HA GLU 41 -35.160 -14.441 -7.137 305 1HB GLU 41 2HB GLU 41 -33.877 -15.756 -4.744 306 2HB GLU 41 1HB GLU 41 -35.078 -16.567 -5.739 307 1HG GLU 41 2HG GLU 41 -33.631 -16.308 -7.691 308 2HG GLU 41 1HG GLU 41 -32.425 -15.509 -6.686 309 H LYS 42 H LYS 42 -35.664 -12.439 -4.702 310 HA LYS 42 HA LYS 42 -38.114 -13.753 -3.733 311 1HB LYS 42 2HB LYS 42 -36.209 -11.812 -2.563 312 2HB LYS 42 1HB LYS 42 -37.903 -11.544 -2.177 313 1HG LYS 42 2HG LYS 42 -36.640 -14.238 -1.832 314 2HG LYS 42 1HG LYS 42 -36.503 -12.990 -0.593 315 1HD LYS 42 2HD LYS 42 -39.173 -13.766 -1.719 316 2HD LYS 42 1HD LYS 42 -38.428 -14.698 -0.419 317 1HE LYS 42 2HE LYS 42 -39.267 -11.811 -0.398 318 2HE LYS 42 1HE LYS 42 -39.855 -13.126 0.618 319 1HZ LYS 42 3HZ LYS 42 -37.199 -13.101 1.130 320 2HZ LYS 42 2HZ LYS 42 -37.540 -11.454 0.946 321 3HZ LYS 42 1HZ LYS 42 -38.383 -12.369 2.092 322 H ARG 43 H ARG 43 -36.898 -11.155 -5.628 323 HA ARG 43 HA ARG 43 -37.910 -9.635 -6.976 324 1HB ARG 43 2HB ARG 43 -39.390 -11.654 -7.454 325 2HB ARG 43 1HB ARG 43 -40.538 -10.962 -6.319 326 1HG ARG 43 2HG ARG 43 -41.268 -9.438 -7.800 327 2HG ARG 43 1HG ARG 43 -39.637 -9.064 -8.353 328 1HD ARG 43 2HD ARG 43 -40.856 -9.971 -10.196 329 2HD ARG 43 1HD ARG 43 -39.674 -11.172 -9.680 330 HE ARG 43 HE ARG 43 -42.050 -11.733 -8.352 331 1HH1 ARG 43 1HH2 ARG 43 -40.848 -11.632 -11.615 332 2HH1 ARG 43 2HH2 ARG 43 -41.936 -12.848 -12.195 333 1HH2 ARG 43 2HH1 ARG 43 -43.495 -13.340 -9.104 334 2HH2 ARG 43 1HH1 ARG 43 -43.440 -13.820 -10.767 335 H ASN 44 H ASN 44 -37.303 -8.678 -4.571 336 HA ASN 44 HA ASN 44 -39.566 -6.895 -3.998 337 1HB ASN 44 2HB ASN 44 -38.517 -8.913 -2.205 338 2HB ASN 44 1HB ASN 44 -38.328 -7.313 -1.499 339 1HD2 ASN 44 2HD2 ASN 44 -42.115 -8.615 -2.376 340 2HD2 ASN 44 1HD2 ASN 44 -40.785 -9.059 -3.385 341 H LEU 45 H LEU 45 -36.687 -6.942 -5.190 342 HA LEU 45 HA LEU 45 -35.034 -5.421 -5.491 343 1HB LEU 45 2HB LEU 45 -37.261 -3.940 -5.114 344 2HB LEU 45 1HB LEU 45 -36.252 -3.320 -3.820 345 HG LEU 45 HG LEU 45 -34.470 -2.849 -5.507 346 1HD1 LEU 45 2HD1 LEU 45 -36.509 -4.058 -7.292 347 2HD1 LEU 45 1HD1 LEU 45 -35.589 -2.688 -7.914 348 3HD1 LEU 45 3HD1 LEU 45 -34.749 -4.136 -7.359 349 1HD2 LEU 45 3HD2 LEU 45 -37.130 -1.532 -5.453 350 2HD2 LEU 45 2HD2 LEU 45 -35.541 -0.901 -5.024 351 3HD2 LEU 45 1HD2 LEU 45 -36.004 -1.039 -6.719 352 H GLN 46 H GLN 46 -33.116 -5.526 -4.606 353 HA GLN 46 HA GLN 46 -32.733 -4.899 -1.781 354 1HB GLN 46 2HB GLN 46 -31.935 -7.497 -3.092 355 2HB GLN 46 1HB GLN 46 -31.147 -6.907 -1.635 356 1HG GLN 46 2HG GLN 46 -34.066 -6.934 -1.462 357 2HG GLN 46 1HG GLN 46 -33.356 -8.528 -1.702 358 1HE2 GLN 46 2HE2 GLN 46 -33.174 -8.619 1.784 359 2HE2 GLN 46 1HE2 GLN 46 -33.994 -9.168 0.365 360 H CYS 47 H CYS 47 -30.517 -4.358 -1.274 361 HA CYS 47 HA CYS 47 -29.114 -3.284 -3.613 362 1HB CYS 47 2HB CYS 47 -28.869 -2.661 -0.669 363 2HB CYS 47 1HB CYS 47 -27.861 -1.936 -1.916 364 H ILE 48 H ILE 48 -27.557 -4.475 -4.446 365 HA ILE 48 HA ILE 48 -26.077 -6.364 -2.794 366 HB ILE 48 HB ILE 48 -26.205 -5.923 -5.767 367 1HG1 ILE 48 2HG1 ILE 48 -27.943 -7.253 -4.289 368 2HG1 ILE 48 1HG1 ILE 48 -27.435 -7.870 -5.858 369 1HG2 ILE 48 2HG2 ILE 48 -24.296 -7.609 -4.179 370 2HG2 ILE 48 1HG2 ILE 48 -24.725 -8.010 -5.842 371 3HG2 ILE 48 3HG2 ILE 48 -23.949 -6.469 -5.479 372 1HD1 ILE 48 1HD1 ILE 48 -26.202 -8.702 -3.246 373 2HD1 ILE 48 3HD1 ILE 48 -27.508 -9.571 -4.052 374 3HD1 ILE 48 2HD1 ILE 48 -25.934 -9.418 -4.835 375 H CYS 49 H CYS 49 -24.248 -5.760 -1.834 376 HA CYS 49 HA CYS 49 -22.723 -3.497 -2.901 377 1HB CYS 49 2HB CYS 49 -22.546 -4.988 -0.276 378 2HB CYS 49 1HB CYS 49 -21.448 -3.698 -0.743 379 H ASP 50 H ASP 50 -21.221 -3.984 -4.354 380 HA ASP 50 HA ASP 50 -19.894 -6.593 -4.288 381 1HB ASP 50 2HB ASP 50 -20.644 -6.105 -6.463 382 2HB ASP 50 1HB ASP 50 -20.137 -4.423 -6.359 383 H TYR 51 H TYR 51 -17.625 -6.793 -4.449 384 HA TYR 51 HA TYR 51 -16.095 -4.472 -3.465 385 1HB TYR 51 2HB TYR 51 -15.978 -7.320 -2.498 386 2HB TYR 51 1HB TYR 51 -14.832 -6.071 -2.026 387 HD1 TYR 51 HD2 TYR 51 -18.402 -7.056 -1.878 388 HD2 TYR 51 HD1 TYR 51 -15.341 -4.587 -0.259 389 HE1 TYR 51 HE2 TYR 51 -19.898 -6.426 -0.033 390 HE2 TYR 51 HE1 TYR 51 -16.828 -3.950 1.594 391 HH TYR 51 HH TYR 51 -20.098 -5.310 1.873 392 H CYS 52 H CYS 52 -16.275 -7.269 -5.501 393 HA CYS 52 HA CYS 52 -13.695 -6.541 -6.693 394 1HB CYS 52 2HB CYS 52 -14.041 -9.421 -6.756 395 2HB CYS 52 1HB CYS 52 -12.682 -8.475 -6.160 396 H GLU 53 H GLU 53 -16.241 -9.003 -7.131 397 HA GLU 53 HA GLU 53 -17.763 -9.216 -8.859 398 1HB GLU 53 2HB GLU 53 -17.141 -6.680 -9.288 399 2HB GLU 53 1HB GLU 53 -16.253 -7.359 -10.647 400 1HG GLU 53 2HG GLU 53 -18.380 -8.492 -11.343 401 2HG GLU 53 1HG GLU 53 -19.202 -7.547 -10.101 402 H TYR 54 HN TYR 54 -14.439 -9.643 -8.881 403 HA TYR 54 HA TYR 54 -14.677 -11.813 -10.791 404 1HB TYR 54 2HB TYR 54 -12.708 -9.553 -11.202 405 2HB TYR 54 1HB TYR 54 -12.689 -11.076 -12.086 406 HD1 TYR 54 HD1 TYR 54 -15.237 -11.636 -13.017 407 HD2 TYR 54 HD2 TYR 54 -13.531 -7.785 -12.419 408 HE1 TYR 54 HE1 TYR 54 -16.788 -10.698 -14.678 409 HE2 TYR 54 HE2 TYR 54 -15.078 -6.835 -14.077 410 HH TYR 54 HH TYR 54 -16.541 -8.316 -16.289 No H/Q in entry = 410 Start of MODEL 23 1 HN PCA 1 HN PCA 1 -19.844 -18.921 -6.602 2 HA PCA 1 HA PCA 1 -18.767 -19.999 -4.532 3 1HB PCA 1 1HB PCA 1 -17.131 -21.515 -4.931 4 2HB PCA 1 2HB PCA 1 -16.170 -20.316 -5.829 5 1HG PCA 1 1HG PCA 1 -17.966 -22.385 -6.859 6 2HG PCA 1 2HG PCA 1 -16.852 -21.336 -7.756 7 H ASP 2 H ASP 2 -17.104 -18.115 -7.047 8 HA ASP 2 HA ASP 2 -15.937 -16.361 -5.040 9 1HB ASP 2 2HB ASP 2 -14.698 -15.373 -6.857 10 2HB ASP 2 1HB ASP 2 -14.622 -17.124 -7.027 11 H LYS 3 H LYS 3 -18.218 -15.743 -4.410 12 HA LYS 3 HA LYS 3 -19.300 -13.648 -6.182 13 1HB LYS 3 2HB LYS 3 -20.562 -15.385 -4.076 14 2HB LYS 3 1HB LYS 3 -21.323 -13.888 -4.590 15 1HG LYS 3 2HG LYS 3 -20.572 -15.468 -6.888 16 2HG LYS 3 1HG LYS 3 -21.565 -16.420 -5.784 17 1HD LYS 3 2HD LYS 3 -22.336 -13.648 -6.674 18 2HD LYS 3 1HD LYS 3 -22.789 -15.094 -7.578 19 1HE LYS 3 2HE LYS 3 -23.545 -14.382 -4.750 20 2HE LYS 3 1HE LYS 3 -24.614 -14.515 -6.145 21 1HZ LYS 3 1HZ LYS 3 -24.112 -16.886 -6.240 22 2HZ LYS 3 3HZ LYS 3 -23.118 -16.746 -4.878 23 3HZ LYS 3 2HZ LYS 3 -24.779 -16.462 -4.746 24 H CYS 4 H CYS 4 -18.028 -11.945 -5.597 25 HA CYS 4 HA CYS 4 -17.612 -11.208 -2.853 26 1HB CYS 4 2HB CYS 4 -16.478 -10.581 -5.355 27 2HB CYS 4 1HB CYS 4 -17.066 -9.055 -4.699 28 H LYS 5 H LYS 5 -20.340 -11.288 -4.368 29 HA LYS 5 HA LYS 5 -21.281 -8.580 -3.782 30 1HB LYS 5 2HB LYS 5 -23.061 -10.720 -4.867 31 2HB LYS 5 1HB LYS 5 -23.064 -8.995 -5.183 32 1HG LYS 5 2HG LYS 5 -20.907 -9.348 -6.443 33 2HG LYS 5 1HG LYS 5 -21.245 -11.079 -6.325 34 1HD LYS 5 2HD LYS 5 -23.309 -10.821 -7.509 35 2HD LYS 5 1HD LYS 5 -23.170 -9.064 -7.468 36 1HE LYS 5 2HE LYS 5 -21.050 -9.316 -8.801 37 2HE LYS 5 1HE LYS 5 -21.471 -11.017 -9.003 38 1HZ LYS 5 1HZ LYS 5 -23.663 -10.142 -9.907 39 2HZ LYS 5 3HZ LYS 5 -22.896 -8.639 -10.028 40 3HZ LYS 5 2HZ LYS 5 -22.301 -9.965 -10.894 41 H LYS 6 H LYS 6 -22.210 -8.154 -1.872 42 HA LYS 6 HA LYS 6 -23.744 -10.279 -0.546 43 1HB LYS 6 2HB LYS 6 -22.318 -8.602 1.378 44 2HB LYS 6 1HB LYS 6 -22.440 -10.354 1.288 45 1HG LYS 6 2HG LYS 6 -20.713 -10.153 -0.614 46 2HG LYS 6 1HG LYS 6 -20.427 -8.538 0.030 47 1HD LYS 6 2HD LYS 6 -20.139 -11.163 1.473 48 2HD LYS 6 1HD LYS 6 -18.853 -10.051 1.008 49 1HE LYS 6 2HE LYS 6 -19.110 -9.500 3.221 50 2HE LYS 6 1HE LYS 6 -20.216 -8.353 2.467 51 1HZ LYS 6 2HZ LYS 6 -21.755 -10.553 2.886 52 2HZ LYS 6 1HZ LYS 6 -20.776 -10.514 4.264 53 3HZ LYS 6 3HZ LYS 6 -21.725 -9.171 3.861 54 H VAL 7 H VAL 7 -25.679 -9.641 0.047 55 HA VAL 7 HA VAL 7 -26.646 -7.041 -0.410 56 HB VAL 7 HB VAL 7 -28.671 -7.980 -0.131 57 1HG1 VAL 7 3HG1 VAL 7 -27.260 -9.845 -1.069 58 2HG1 VAL 7 2HG1 VAL 7 -27.248 -10.538 0.553 59 3HG1 VAL 7 1HG1 VAL 7 -28.774 -10.333 -0.308 60 1HG2 VAL 7 2HG2 VAL 7 -27.703 -9.013 2.535 61 2HG2 VAL 7 1HG2 VAL 7 -28.762 -7.635 2.235 62 3HG2 VAL 7 3HG2 VAL 7 -29.331 -9.273 1.913 63 H TYR 8 H TYR 8 -27.346 -5.429 1.012 64 HA TYR 8 HA TYR 8 -25.621 -4.745 3.055 65 1HB TYR 8 2HB TYR 8 -27.438 -3.370 1.792 66 2HB TYR 8 1HB TYR 8 -28.490 -3.839 3.109 67 HD1 TYR 8 HD2 TYR 8 -26.515 -3.677 5.397 68 HD2 TYR 8 HD1 TYR 8 -27.215 -1.082 2.097 69 HE1 TYR 8 HE2 TYR 8 -25.650 -1.790 6.705 70 HE2 TYR 8 HE1 TYR 8 -26.350 0.814 3.400 71 HH TYR 8 HH TYR 8 -24.564 0.498 6.145 72 H GLU 9 H GLU 9 -28.820 -4.829 4.351 73 HA GLU 9 HA GLU 9 -28.884 -7.275 5.616 74 1HB GLU 9 2HB GLU 9 -26.959 -5.462 6.769 75 2HB GLU 9 1HB GLU 9 -28.216 -5.811 7.948 76 1HG GLU 9 2HG GLU 9 -26.892 -8.013 6.425 77 2HG GLU 9 1HG GLU 9 -26.132 -7.312 7.852 78 H ASN 10 H ASN 10 -29.904 -4.061 5.251 79 HA ASN 10 HA ASN 10 -32.560 -4.586 5.989 80 1HB ASN 10 2HB ASN 10 -31.267 -4.429 8.264 81 2HB ASN 10 1HB ASN 10 -31.300 -2.700 7.951 82 1HD2 ASN 10 2HD2 ASN 10 -34.208 -3.227 9.980 83 2HD2 ASN 10 1HD2 ASN 10 -32.489 -3.139 10.107 84 H TYR 11 H TYR 11 -30.666 -3.153 4.085 85 HA TYR 11 HA TYR 11 -31.022 -0.406 4.160 86 1HB TYR 11 2HB TYR 11 -29.508 -1.630 2.609 87 2HB TYR 11 1HB TYR 11 -30.919 -2.124 1.678 88 HD1 TYR 11 HD2 TYR 11 -29.429 1.023 3.046 89 HD2 TYR 11 HD1 TYR 11 -31.406 -0.887 -0.200 90 HE1 TYR 11 HE2 TYR 11 -29.295 3.105 1.748 91 HE2 TYR 11 HE1 TYR 11 -31.276 1.190 -1.511 92 HH TYR 11 HH TYR 11 -29.284 3.642 -0.871 93 HA PRO 12 HA PRO 12 -35.554 -0.214 3.884 94 1HB PRO 12 2HB PRO 12 -34.776 2.509 2.914 95 2HB PRO 12 1HB PRO 12 -36.031 2.045 4.069 96 1HG PRO 12 2HG PRO 12 -33.708 3.056 4.900 97 2HG PRO 12 1HG PRO 12 -34.523 1.762 5.800 98 1HD PRO 12 2HD PRO 12 -32.096 1.642 4.095 99 2HD PRO 12 1HD PRO 12 -32.553 0.641 5.486 100 H VAL 13 H VAL 13 -35.943 -1.567 2.127 101 HA VAL 13 HA VAL 13 -35.113 -1.201 -0.495 102 HB VAL 13 HB VAL 13 -37.824 -2.294 -0.401 103 1HG1 VAL 13 2HG1 VAL 13 -36.115 -2.755 -2.130 104 2HG1 VAL 13 1HG1 VAL 13 -35.169 -3.623 -0.922 105 3HG1 VAL 13 3HG1 VAL 13 -36.761 -4.219 -1.389 106 1HG2 VAL 13 2HG2 VAL 13 -35.805 -3.375 1.559 107 2HG2 VAL 13 1HG2 VAL 13 -37.411 -2.738 1.919 108 3HG2 VAL 13 3HG2 VAL 13 -37.241 -4.249 1.024 109 H SER 14 H SER 14 -35.231 0.924 -1.149 110 HA SER 14 HA SER 14 -37.599 1.760 -2.417 111 1HB SER 14 2HB SER 14 -38.621 3.164 -0.960 112 2HB SER 14 1HB SER 14 -37.714 2.296 0.282 113 HG SER 14 HG SER 14 -37.245 4.420 0.577 114 H LYS 15 H LYS 15 -37.016 3.024 -4.050 115 HA LYS 15 HA LYS 15 -35.968 4.791 -5.140 116 1HB LYS 15 2HB LYS 15 -35.193 5.504 -2.736 117 2HB LYS 15 1HB LYS 15 -33.669 4.770 -3.220 118 1HG LYS 15 2HG LYS 15 -33.355 6.974 -3.795 119 2HG LYS 15 1HG LYS 15 -33.904 6.273 -5.319 120 1HD LYS 15 2HD LYS 15 -36.159 7.065 -4.905 121 2HD LYS 15 1HD LYS 15 -35.674 7.686 -3.327 122 1HE LYS 15 2HE LYS 15 -33.896 8.818 -5.215 123 2HE LYS 15 1HE LYS 15 -35.515 8.965 -5.896 124 1HZ LYS 15 2HZ LYS 15 -36.097 9.812 -3.537 125 2HZ LYS 15 1HZ LYS 15 -34.438 10.110 -3.411 126 3HZ LYS 15 3HZ LYS 15 -35.341 10.855 -4.632 127 H CYS 16 H CYS 16 -34.776 1.790 -4.196 128 HA CYS 16 HA CYS 16 -32.356 1.684 -5.657 129 1HB CYS 16 2HB CYS 16 -34.123 -0.215 -4.266 130 2HB CYS 16 1HB CYS 16 -33.226 -0.922 -5.603 131 H GLN 17 H GLN 17 -33.286 2.882 -7.572 132 HA GLN 17 HA GLN 17 -34.553 1.004 -9.468 133 1HB GLN 17 2HB GLN 17 -34.800 3.965 -9.103 134 2HB GLN 17 1HB GLN 17 -35.102 3.255 -10.683 135 1HG GLN 17 2HG GLN 17 -37.204 3.364 -9.726 136 2HG GLN 17 1HG GLN 17 -36.719 1.695 -9.433 137 1HE2 GLN 17 2HE2 GLN 17 -37.110 1.940 -6.020 138 2HE2 GLN 17 1HE2 GLN 17 -36.995 0.974 -7.447 139 H LEU 18 H LEU 18 -31.727 2.788 -8.781 140 HA LEU 18 HA LEU 18 -30.440 1.811 -11.141 141 1HB LEU 18 2HB LEU 18 -29.805 4.596 -11.221 142 2HB LEU 18 1HB LEU 18 -30.528 3.615 -12.475 143 HG LEU 18 HG LEU 18 -32.772 4.159 -11.559 144 1HD1 LEU 18 3HD1 LEU 18 -31.503 4.809 -9.247 145 2HD1 LEU 18 2HD1 LEU 18 -31.739 6.404 -9.957 146 3HD1 LEU 18 1HD1 LEU 18 -33.122 5.353 -9.679 147 1HD2 LEU 18 1HD2 LEU 18 -30.903 6.309 -12.466 148 2HD2 LEU 18 3HD2 LEU 18 -32.170 5.477 -13.367 149 3HD2 LEU 18 2HD2 LEU 18 -32.598 6.661 -12.131 150 H ALA 19 H ALA 19 -28.115 2.856 -11.221 151 HA ALA 19 HA ALA 19 -26.765 2.098 -8.909 152 1HB ALA 19 1HB ALA 19 -25.803 2.275 -11.211 153 2HB ALA 19 3HB ALA 19 -25.719 4.021 -10.974 154 3HB ALA 19 2HB ALA 19 -24.787 2.944 -9.934 155 H ASN 20 H ASN 20 -24.900 4.361 -8.821 156 HA ASN 20 HA ASN 20 -24.453 6.151 -7.527 157 1HB ASN 20 2HB ASN 20 -25.770 7.528 -8.892 158 2HB ASN 20 1HB ASN 20 -27.271 6.776 -8.364 159 1HD2 ASN 20 2HD2 ASN 20 -25.457 9.290 -5.689 160 2HD2 ASN 20 1HD2 ASN 20 -24.521 8.160 -6.601 161 H GLN 21 H GLN 21 -27.840 5.831 -6.538 162 HA GLN 21 HA GLN 21 -27.577 6.239 -3.886 163 1HB GLN 21 2HB GLN 21 -29.734 5.878 -4.986 164 2HB GLN 21 1HB GLN 21 -29.370 4.166 -5.163 165 1HG GLN 21 2HG GLN 21 -30.911 4.777 -3.279 166 2HG GLN 21 1HG GLN 21 -29.515 3.792 -2.846 167 1HE2 GLN 21 2HE2 GLN 21 -29.126 7.747 -1.899 168 2HE2 GLN 21 1HE2 GLN 21 -29.611 7.257 -3.484 169 H CYS 22 H CYS 22 -27.998 2.859 -4.916 170 HA CYS 22 HA CYS 22 -26.839 1.777 -2.615 171 1HB CYS 22 2HB CYS 22 -28.315 0.669 -4.455 172 2HB CYS 22 1HB CYS 22 -26.775 0.314 -5.232 173 H ASN 23 H ASN 23 -25.421 2.486 -5.783 174 HA ASN 23 HA ASN 23 -22.938 1.297 -5.488 175 1HB ASN 23 2HB ASN 23 -23.901 2.501 -7.529 176 2HB ASN 23 1HB ASN 23 -23.322 3.991 -6.790 177 1HD2 ASN 23 2HD2 ASN 23 -20.392 3.515 -8.583 178 2HD2 ASN 23 1HD2 ASN 23 -21.818 4.456 -8.330 179 H TYR 24 H TYR 24 -23.345 4.808 -5.167 180 HA TYR 24 HA TYR 24 -21.009 5.329 -3.814 181 1HB TYR 24 2HB TYR 24 -21.839 7.388 -4.184 182 2HB TYR 24 1HB TYR 24 -23.451 6.734 -4.421 183 HD1 TYR 24 HD2 TYR 24 -21.173 7.188 -1.503 184 HD2 TYR 24 HD1 TYR 24 -25.047 7.801 -3.148 185 HE1 TYR 24 HE2 TYR 24 -21.881 8.246 0.588 186 HE2 TYR 24 HE1 TYR 24 -25.771 8.868 -1.051 187 HH TYR 24 HH TYR 24 -25.231 9.276 1.091 188 H ASP 25 H ASP 25 -24.124 4.340 -2.480 189 HA ASP 25 HA ASP 25 -23.574 4.688 0.223 190 1HB ASP 25 2HB ASP 25 -25.297 2.656 -1.184 191 2HB ASP 25 1HB ASP 25 -25.234 2.805 0.568 192 H CYS 26 H CYS 26 -23.375 1.551 -1.485 193 HA CYS 26 HA CYS 26 -22.031 0.271 0.582 194 1HB CYS 26 2HB CYS 26 -21.820 -0.285 -2.389 195 2HB CYS 26 1HB CYS 26 -21.280 -1.372 -1.119 196 H LYS 27 H LYS 27 -20.842 2.266 -2.042 197 HA LYS 27 HA LYS 27 -18.112 1.726 -1.812 198 1HB LYS 27 2HB LYS 27 -19.496 3.155 -3.548 199 2HB LYS 27 1HB LYS 27 -19.034 4.483 -2.495 200 1HG LYS 27 2HG LYS 27 -16.771 4.241 -2.969 201 2HG LYS 27 1HG LYS 27 -16.969 2.587 -3.551 202 1HD LYS 27 2HD LYS 27 -16.597 3.951 -5.458 203 2HD LYS 27 1HD LYS 27 -18.309 3.522 -5.462 204 1HE LYS 27 2HE LYS 27 -17.730 5.940 -5.986 205 2HE LYS 27 1HE LYS 27 -18.952 5.671 -4.745 206 1HZ LYS 27 1HZ LYS 27 -17.162 5.951 -3.075 207 2HZ LYS 27 3HZ LYS 27 -16.102 6.384 -4.321 208 3HZ LYS 27 2HZ LYS 27 -17.454 7.344 -3.989 209 H LEU 28 H LEU 28 -19.974 2.806 0.655 210 HA LEU 28 HA LEU 28 -17.691 3.711 2.128 211 1HB LEU 28 2HB LEU 28 -18.247 5.737 0.839 212 2HB LEU 28 1HB LEU 28 -19.851 5.731 1.543 213 HG LEU 28 HG LEU 28 -18.578 5.854 3.817 214 1HD1 LEU 28 3HD1 LEU 28 -16.368 5.535 2.463 215 2HD1 LEU 28 2HD1 LEU 28 -16.516 7.271 2.193 216 3HD1 LEU 28 1HD1 LEU 28 -16.419 6.639 3.837 217 1HD2 LEU 28 1HD2 LEU 28 -19.054 8.039 1.834 218 2HD2 LEU 28 3HD2 LEU 28 -19.926 7.663 3.320 219 3HD2 LEU 28 2HD2 LEU 28 -18.330 8.408 3.400 220 H ASP 29 H ASP 29 -21.210 3.409 1.993 221 HA ASP 29 HA ASP 29 -21.634 3.620 4.789 222 1HB ASP 29 2HB ASP 29 -23.296 2.371 2.596 223 2HB ASP 29 1HB ASP 29 -23.838 2.506 4.266 224 H LYS 30 H LYS 30 -20.256 1.190 2.888 225 HA LYS 30 HA LYS 30 -20.278 -0.639 5.173 226 1HB LYS 30 2HB LYS 30 -21.004 -1.433 2.347 227 2HB LYS 30 1HB LYS 30 -20.667 -2.571 3.647 228 1HG LYS 30 2HG LYS 30 -22.558 -1.163 4.863 229 2HG LYS 30 1HG LYS 30 -23.039 -0.845 3.197 230 1HD LYS 30 2HD LYS 30 -24.227 -2.761 3.595 231 2HD LYS 30 1HD LYS 30 -22.730 -3.455 2.971 232 1HE LYS 30 2HE LYS 30 -23.513 -3.143 5.866 233 2HE LYS 30 1HE LYS 30 -23.415 -4.649 4.955 234 1HZ LYS 30 1HZ LYS 30 -21.111 -2.855 5.497 235 2HZ LYS 30 3HZ LYS 30 -21.469 -4.254 6.380 236 3HZ LYS 30 2HZ LYS 30 -21.053 -4.369 4.744 237 H HIS 31 H HIS 31 -18.413 1.196 3.557 238 HA HIS 31 HA HIS 31 -16.246 1.218 2.854 239 1HB HIS 31 2HB HIS 31 -15.916 -1.304 4.478 240 2HB HIS 31 1HB HIS 31 -14.709 -0.067 4.142 241 HD1 HIS 31 HD1 HIS 31 -16.640 -1.200 6.825 242 HD2 HIS 31 HD2 HIS 31 -15.830 2.581 5.304 243 HE1 HIS 31 HE1 HIS 31 -17.101 0.397 8.713 244 HE2 HIS 31 HE2 HIS 31 -16.516 2.670 7.796 245 H ALA 32 H ALA 32 -18.203 -0.293 1.263 246 HA ALA 32 HA ALA 32 -16.716 -2.542 0.192 247 1HB ALA 32 2HB ALA 32 -19.418 -1.918 0.349 248 2HB ALA 32 1HB ALA 32 -19.046 -1.734 -1.363 249 3HB ALA 32 3HB ALA 32 -18.711 -3.262 -0.546 250 H ARG 33 H ARG 33 -17.022 -2.522 -2.445 251 HA ARG 33 HA ARG 33 -15.379 -0.242 -3.283 252 1HB ARG 33 2HB ARG 33 -15.871 -2.952 -4.520 253 2HB ARG 33 1HB ARG 33 -14.938 -1.682 -5.303 254 1HG ARG 33 2HG ARG 33 -13.631 -1.726 -3.001 255 2HG ARG 33 1HG ARG 33 -14.255 -3.375 -2.963 256 1HD ARG 33 2HD ARG 33 -12.224 -3.643 -4.031 257 2HD ARG 33 1HD ARG 33 -13.344 -3.504 -5.386 258 HE ARG 33 HE ARG 33 -12.249 -0.982 -4.608 259 1HH1 ARG 33 1HH2 ARG 33 -11.632 -3.880 -6.440 260 2HH1 ARG 33 2HH2 ARG 33 -10.516 -3.113 -7.521 261 1HH2 ARG 33 2HH1 ARG 33 -10.786 0.036 -6.025 262 2HH2 ARG 33 1HH1 ARG 33 -10.036 -0.885 -7.286 263 H SER 34 H SER 34 -18.171 -2.139 -4.408 264 HA SER 34 HA SER 34 -19.277 0.298 -5.595 265 1HB SER 34 2HB SER 34 -19.001 -0.381 -7.722 266 2HB SER 34 1HB SER 34 -18.105 -1.783 -7.138 267 HG SER 34 HG SER 34 -20.629 -1.629 -8.142 268 H GLY 35 H GLY 35 -21.566 -0.610 -6.686 269 1HA GLY 35 2HA GLY 35 -22.857 -2.590 -5.075 270 2HA GLY 35 1HA GLY 35 -23.266 -0.964 -4.553 271 H GLU 36 H GLU 36 -25.202 -2.647 -5.368 272 HA GLU 36 HA GLU 36 -26.596 -1.179 -7.305 273 1HB GLU 36 2HB GLU 36 -24.902 -3.333 -8.339 274 2HB GLU 36 1HB GLU 36 -26.589 -3.548 -8.782 275 1HG GLU 36 2HG GLU 36 -26.625 -1.698 -10.114 276 2HG GLU 36 1HG GLU 36 -25.372 -0.868 -9.193 277 H CYS 37 H CYS 37 -28.796 -1.851 -7.383 278 HA CYS 37 HA CYS 37 -29.448 -3.777 -5.290 279 1HB CYS 37 2HB CYS 37 -30.638 -1.352 -6.226 280 2HB CYS 37 1HB CYS 37 -31.827 -2.645 -6.345 281 H PHE 38 H PHE 38 -30.527 -5.647 -5.563 282 HA PHE 38 HA PHE 38 -31.595 -6.346 -8.188 283 1HB PHE 38 2HB PHE 38 -29.385 -7.887 -6.815 284 2HB PHE 38 1HB PHE 38 -30.379 -8.561 -8.101 285 HD1 PHE 38 HD2 PHE 38 -30.531 -6.948 -10.240 286 HD2 PHE 38 HD1 PHE 38 -27.345 -7.050 -7.421 287 HE1 PHE 38 HE2 PHE 38 -29.015 -5.991 -11.924 288 HE2 PHE 38 HE1 PHE 38 -25.823 -6.091 -9.101 289 HZ PHE 38 HZ PHE 38 -26.658 -5.560 -11.356 290 H TYR 39 H TYR 39 -32.921 -8.294 -8.137 291 HA TYR 39 HA TYR 39 -34.376 -8.491 -5.649 292 1HB TYR 39 2HB TYR 39 -34.981 -10.264 -7.971 293 2HB TYR 39 1HB TYR 39 -36.080 -9.448 -6.864 294 HD1 TYR 39 HD1 TYR 39 -33.873 -8.948 -9.787 295 HD2 TYR 39 HD2 TYR 39 -36.972 -7.321 -7.373 296 HE1 TYR 39 HE1 TYR 39 -34.240 -7.181 -11.459 297 HE2 TYR 39 HE2 TYR 39 -37.346 -5.549 -9.034 298 HH TYR 39 HH TYR 39 -35.460 -4.517 -11.082 299 H ASP 40 H ASP 40 -34.846 -10.510 -4.569 300 HA ASP 40 HA ASP 40 -33.312 -12.853 -5.179 301 1HB ASP 40 2HB ASP 40 -31.957 -12.901 -3.164 302 2HB ASP 40 1HB ASP 40 -31.592 -11.441 -4.080 303 H GLU 41 H GLU 41 -35.835 -12.941 -5.151 304 HA GLU 41 HA GLU 41 -37.356 -14.449 -4.324 305 1HB GLU 41 2HB GLU 41 -35.447 -15.182 -2.707 306 2HB GLU 41 1HB GLU 41 -36.312 -14.196 -1.534 307 1HG GLU 41 2HG GLU 41 -36.990 -16.482 -1.306 308 2HG GLU 41 1HG GLU 41 -38.335 -15.534 -1.937 309 H LYS 42 H LYS 42 -36.574 -11.377 -3.128 310 HA LYS 42 HA LYS 42 -39.142 -11.038 -1.768 311 1HB LYS 42 2HB LYS 42 -36.813 -10.190 -0.934 312 2HB LYS 42 1HB LYS 42 -37.099 -8.867 -2.056 313 1HG LYS 42 2HG LYS 42 -37.834 -8.141 0.064 314 2HG LYS 42 1HG LYS 42 -39.279 -8.470 -0.892 315 1HD LYS 42 2HD LYS 42 -38.516 -10.869 0.497 316 2HD LYS 42 1HD LYS 42 -38.580 -9.537 1.651 317 1HE LYS 42 2HE LYS 42 -40.784 -10.335 -0.252 318 2HE LYS 42 1HE LYS 42 -40.732 -10.690 1.475 319 1HZ LYS 42 2HZ LYS 42 -40.349 -7.960 1.216 320 2HZ LYS 42 1HZ LYS 42 -41.625 -8.348 0.175 321 3HZ LYS 42 3HZ LYS 42 -41.718 -8.754 1.815 322 H ARG 43 H ARG 43 -37.896 -10.691 -4.849 323 HA ARG 43 HA ARG 43 -38.442 -9.389 -6.668 324 1HB ARG 43 2HB ARG 43 -41.182 -9.864 -5.473 325 2HB ARG 43 1HB ARG 43 -40.856 -9.414 -7.142 326 1HG ARG 43 2HG ARG 43 -41.128 -11.668 -7.365 327 2HG ARG 43 1HG ARG 43 -39.384 -11.587 -7.103 328 1HD ARG 43 2HD ARG 43 -40.433 -13.345 -5.753 329 2HD ARG 43 1HD ARG 43 -39.687 -12.102 -4.752 330 HE ARG 43 HE ARG 43 -41.775 -11.496 -3.982 331 1HH1 ARG 43 1HH2 ARG 43 -42.080 -13.720 -6.644 332 2HH1 ARG 43 2HH2 ARG 43 -43.771 -13.994 -6.391 333 1HH2 ARG 43 2HH1 ARG 43 -44.003 -11.852 -3.637 334 2HH2 ARG 43 1HH1 ARG 43 -44.864 -12.934 -4.681 335 H ASN 44 H ASN 44 -37.640 -7.807 -4.508 336 HA ASN 44 HA ASN 44 -39.114 -5.355 -5.094 337 1HB ASN 44 2HB ASN 44 -38.933 -6.678 -2.447 338 2HB ASN 44 1HB ASN 44 -38.660 -4.940 -2.460 339 1HD2 ASN 44 2HD2 ASN 44 -42.218 -5.329 -1.888 340 2HD2 ASN 44 1HD2 ASN 44 -40.722 -5.584 -1.061 341 H LEU 45 H LEU 45 -36.329 -6.901 -5.170 342 HA LEU 45 HA LEU 45 -34.180 -6.241 -5.539 343 1HB LEU 45 2HB LEU 45 -34.990 -3.412 -4.963 344 2HB LEU 45 1HB LEU 45 -33.647 -3.979 -5.932 345 HG LEU 45 HG LEU 45 -36.332 -4.796 -6.877 346 1HD1 LEU 45 1HD1 LEU 45 -35.440 -1.931 -6.824 347 2HD1 LEU 45 3HD1 LEU 45 -36.561 -2.543 -8.038 348 3HD1 LEU 45 2HD1 LEU 45 -36.988 -2.611 -6.327 349 1HD2 LEU 45 3HD2 LEU 45 -33.815 -3.759 -8.172 350 2HD2 LEU 45 2HD2 LEU 45 -34.442 -5.406 -8.192 351 3HD2 LEU 45 1HD2 LEU 45 -35.294 -4.125 -9.057 352 H GLN 46 H GLN 46 -32.288 -5.713 -4.418 353 HA GLN 46 HA GLN 46 -32.477 -4.771 -1.679 354 1HB GLN 46 2HB GLN 46 -32.787 -7.357 -1.818 355 2HB GLN 46 1HB GLN 46 -31.057 -7.377 -2.138 356 1HG GLN 46 2HG GLN 46 -31.579 -7.754 0.222 357 2HG GLN 46 1HG GLN 46 -30.618 -6.296 -0.023 358 1HE2 GLN 46 2HE2 GLN 46 -34.316 -6.126 1.599 359 2HE2 GLN 46 1HE2 GLN 46 -33.638 -7.597 0.999 360 H CYS 47 H CYS 47 -30.654 -3.719 -1.035 361 HA CYS 47 HA CYS 47 -28.813 -2.901 -2.969 362 1HB CYS 47 2HB CYS 47 -29.449 -2.201 -0.312 363 2HB CYS 47 1HB CYS 47 -27.716 -2.509 -0.336 364 H ILE 48 H ILE 48 -27.611 -4.404 -3.967 365 HA ILE 48 HA ILE 48 -26.079 -6.342 -2.425 366 HB ILE 48 HB ILE 48 -26.320 -5.952 -5.405 367 1HG1 ILE 48 2HG1 ILE 48 -28.343 -6.838 -4.343 368 2HG1 ILE 48 1HG1 ILE 48 -27.560 -8.071 -5.327 369 1HG2 ILE 48 3HG2 ILE 48 -24.725 -7.917 -3.799 370 2HG2 ILE 48 2HG2 ILE 48 -25.181 -8.203 -5.478 371 3HG2 ILE 48 1HG2 ILE 48 -24.165 -6.822 -5.064 372 1HD1 ILE 48 1HD1 ILE 48 -26.424 -8.572 -2.939 373 2HD1 ILE 48 3HD1 ILE 48 -27.995 -7.956 -2.426 374 3HD1 ILE 48 2HD1 ILE 48 -27.905 -9.342 -3.512 375 H CYS 49 H CYS 49 -24.201 -5.707 -1.587 376 HA CYS 49 HA CYS 49 -22.724 -3.518 -2.831 377 1HB CYS 49 2HB CYS 49 -22.297 -4.983 -0.221 378 2HB CYS 49 1HB CYS 49 -21.320 -3.632 -0.782 379 H ASP 50 H ASP 50 -20.935 -3.753 -3.988 380 HA ASP 50 HA ASP 50 -19.839 -6.444 -4.360 381 1HB ASP 50 2HB ASP 50 -20.326 -5.464 -6.446 382 2HB ASP 50 1HB ASP 50 -19.699 -3.893 -5.955 383 H TYR 51 H TYR 51 -18.001 -7.044 -3.476 384 HA TYR 51 HA TYR 51 -16.339 -5.021 -2.162 385 1HB TYR 51 2HB TYR 51 -16.689 -7.983 -1.827 386 2HB TYR 51 1HB TYR 51 -15.319 -7.137 -1.104 387 HD1 TYR 51 HD1 TYR 51 -19.040 -6.960 -1.316 388 HD2 TYR 51 HD2 TYR 51 -15.564 -6.235 1.026 389 HE1 TYR 51 HE1 TYR 51 -20.463 -6.315 0.584 390 HE2 TYR 51 HE2 TYR 51 -16.976 -5.590 2.933 391 HH TYR 51 HH TYR 51 -19.636 -4.598 3.003 392 H CYS 52 H CYS 52 -16.257 -7.359 -4.744 393 HA CYS 52 HA CYS 52 -13.364 -6.957 -5.094 394 1HB CYS 52 2HB CYS 52 -15.288 -8.951 -6.285 395 2HB CYS 52 1HB CYS 52 -13.633 -8.770 -6.843 396 H GLU 53 H GLU 53 -15.027 -7.909 -7.867 397 HA GLU 53 HA GLU 53 -15.705 -5.375 -8.957 398 1HB GLU 53 2HB GLU 53 -13.141 -5.376 -8.937 399 2HB GLU 53 1HB GLU 53 -13.245 -6.621 -10.174 400 1HG GLU 53 2HG GLU 53 -13.134 -4.851 -11.566 401 2HG GLU 53 1HG GLU 53 -14.869 -4.778 -11.257 402 H TYR 54 HN TYR 54 -14.594 -6.522 -11.619 403 HA TYR 54 HA TYR 54 -15.582 -8.940 -12.338 404 1HB TYR 54 2HB TYR 54 -17.797 -7.229 -11.671 405 2HB TYR 54 1HB TYR 54 -17.837 -7.539 -13.395 406 HD1 TYR 54 HD1 TYR 54 -16.725 -9.884 -10.684 407 HD2 TYR 54 HD2 TYR 54 -19.648 -8.956 -13.642 408 HE1 TYR 54 HE1 TYR 54 -17.794 -12.058 -10.304 409 HE2 TYR 54 HE2 TYR 54 -20.721 -11.134 -13.264 410 HH TYR 54 HH TYR 54 -20.195 -13.019 -10.634 No H/Q in entry = 410 Start of MODEL 24 1 HN PCA 1 HN PCA 1 -15.154 -15.556 -11.871 2 HA PCA 1 HA PCA 1 -14.213 -13.433 -10.790 3 1HB PCA 1 1HB PCA 1 -13.193 -11.983 -12.196 4 2HB PCA 1 2HB PCA 1 -14.704 -11.740 -13.102 5 1HG PCA 1 1HG PCA 1 -12.421 -13.413 -13.785 6 2HG PCA 1 2HG PCA 1 -13.874 -13.087 -14.748 7 H ASP 2 H ASP 2 -16.050 -13.486 -9.570 8 HA ASP 2 HA ASP 2 -18.153 -11.706 -10.275 9 1HB ASP 2 2HB ASP 2 -18.944 -13.594 -11.581 10 2HB ASP 2 1HB ASP 2 -18.792 -14.663 -10.189 11 H LYS 3 H LYS 3 -17.730 -14.621 -8.247 12 HA LYS 3 HA LYS 3 -19.128 -13.997 -6.044 13 1HB LYS 3 2HB LYS 3 -16.361 -15.175 -6.210 14 2HB LYS 3 1HB LYS 3 -17.240 -15.059 -4.692 15 1HG LYS 3 2HG LYS 3 -18.583 -16.351 -7.008 16 2HG LYS 3 1HG LYS 3 -17.319 -17.240 -6.157 17 1HD LYS 3 2HD LYS 3 -18.504 -17.129 -4.103 18 2HD LYS 3 1HD LYS 3 -19.648 -15.950 -4.749 19 1HE LYS 3 2HE LYS 3 -20.776 -17.534 -5.999 20 2HE LYS 3 1HE LYS 3 -19.398 -18.634 -6.035 21 1HZ LYS 3 2HZ LYS 3 -20.105 -18.346 -3.374 22 2HZ LYS 3 1HZ LYS 3 -21.557 -18.555 -4.214 23 3HZ LYS 3 3HZ LYS 3 -20.325 -19.707 -4.354 24 H CYS 4 H CYS 4 -19.290 -12.343 -4.730 25 HA CYS 4 HA CYS 4 -17.462 -11.044 -3.255 26 1HB CYS 4 2HB CYS 4 -17.246 -10.201 -6.083 27 2HB CYS 4 1HB CYS 4 -17.279 -8.886 -4.913 28 H LYS 5 H LYS 5 -20.453 -11.235 -4.679 29 HA LYS 5 HA LYS 5 -21.408 -8.626 -3.868 30 1HB LYS 5 2HB LYS 5 -22.839 -11.014 -5.045 31 2HB LYS 5 1HB LYS 5 -23.604 -9.469 -4.700 32 1HG LYS 5 2HG LYS 5 -21.242 -9.724 -6.537 33 2HG LYS 5 1HG LYS 5 -22.909 -9.885 -7.093 34 1HD LYS 5 2HD LYS 5 -23.355 -7.629 -6.082 35 2HD LYS 5 1HD LYS 5 -21.617 -7.481 -5.819 36 1HE LYS 5 2HE LYS 5 -21.216 -7.705 -8.204 37 2HE LYS 5 1HE LYS 5 -22.943 -7.920 -8.488 38 1HZ LYS 5 3HZ LYS 5 -21.695 -5.482 -7.337 39 2HZ LYS 5 2HZ LYS 5 -22.206 -5.648 -8.940 40 3HZ LYS 5 1HZ LYS 5 -23.337 -5.691 -7.683 41 H LYS 6 H LYS 6 -22.800 -8.168 -2.245 42 HA LYS 6 HA LYS 6 -23.782 -10.276 -0.507 43 1HB LYS 6 2HB LYS 6 -21.577 -8.443 0.200 44 2HB LYS 6 1HB LYS 6 -22.843 -8.584 1.413 45 1HG LYS 6 2HG LYS 6 -22.552 -11.083 1.245 46 2HG LYS 6 1HG LYS 6 -21.108 -10.761 0.284 47 1HD LYS 6 2HD LYS 6 -20.443 -9.230 2.276 48 2HD LYS 6 1HD LYS 6 -21.633 -10.177 3.170 49 1HE LYS 6 2HE LYS 6 -19.008 -10.988 2.050 50 2HE LYS 6 1HE LYS 6 -19.775 -11.442 3.570 51 1HZ LYS 6 1HZ LYS 6 -20.926 -12.378 1.032 52 2HZ LYS 6 3HZ LYS 6 -19.566 -13.160 1.664 53 3HZ LYS 6 2HZ LYS 6 -20.997 -13.088 2.565 54 H VAL 7 H VAL 7 -25.822 -9.840 -0.069 55 HA VAL 7 HA VAL 7 -27.140 -7.542 -0.902 56 HB VAL 7 HB VAL 7 -29.094 -8.398 -0.001 57 1HG1 VAL 7 1HG1 VAL 7 -27.859 -9.917 -1.604 58 2HG1 VAL 7 3HG1 VAL 7 -27.448 -10.900 -0.197 59 3HG1 VAL 7 2HG1 VAL 7 -29.139 -10.658 -0.639 60 1HG2 VAL 7 3HG2 VAL 7 -27.348 -9.557 2.139 61 2HG2 VAL 7 2HG2 VAL 7 -28.764 -8.515 2.299 62 3HG2 VAL 7 1HG2 VAL 7 -28.959 -10.210 1.845 63 H TYR 8 H TYR 8 -28.126 -5.864 0.143 64 HA TYR 8 HA TYR 8 -26.897 -5.062 2.699 65 1HB TYR 8 2HB TYR 8 -26.780 -3.628 0.477 66 2HB TYR 8 1HB TYR 8 -28.412 -3.161 0.937 67 HD1 TYR 8 HD2 TYR 8 -28.016 -3.101 3.949 68 HD2 TYR 8 HD1 TYR 8 -25.648 -1.596 0.752 69 HE1 TYR 8 HE2 TYR 8 -27.083 -1.399 5.450 70 HE2 TYR 8 HE1 TYR 8 -24.708 0.113 2.248 71 HH TYR 8 HH TYR 8 -24.465 0.709 4.445 72 H GLU 9 H GLU 9 -28.449 -6.532 3.714 73 HA GLU 9 HA GLU 9 -31.173 -6.477 3.531 74 1HB GLU 9 2HB GLU 9 -30.947 -6.817 6.186 75 2HB GLU 9 1HB GLU 9 -30.546 -8.080 5.030 76 1HG GLU 9 2HG GLU 9 -28.219 -7.578 5.177 77 2HG GLU 9 1HG GLU 9 -28.538 -6.140 6.145 78 H ASN 10 H ASN 10 -30.074 -5.131 6.477 79 HA ASN 10 HA ASN 10 -32.036 -3.244 6.789 80 1HB ASN 10 2HB ASN 10 -29.334 -3.650 7.927 81 2HB ASN 10 1HB ASN 10 -29.964 -2.013 8.073 82 1HD2 ASN 10 2HD2 ASN 10 -31.304 -4.962 10.437 83 2HD2 ASN 10 1HD2 ASN 10 -30.044 -5.178 9.275 84 H TYR 11 H TYR 11 -32.503 -2.155 4.927 85 HA TYR 11 HA TYR 11 -31.162 0.269 4.427 86 1HB TYR 11 2HB TYR 11 -29.440 -1.064 3.397 87 2HB TYR 11 1HB TYR 11 -30.627 -1.947 2.446 88 HD1 TYR 11 HD1 TYR 11 -28.824 1.231 2.812 89 HD2 TYR 11 HD2 TYR 11 -31.573 -0.983 0.438 90 HE1 TYR 11 HE1 TYR 11 -28.542 2.852 0.985 91 HE2 TYR 11 HE2 TYR 11 -31.301 0.633 -1.396 92 HH TYR 11 HH TYR 11 -28.828 2.771 -1.611 93 HA PRO 12 HA PRO 12 -35.549 0.578 3.171 94 1HB PRO 12 2HB PRO 12 -34.455 3.255 2.394 95 2HB PRO 12 1HB PRO 12 -35.962 2.855 3.230 96 1HG PRO 12 2HG PRO 12 -33.870 3.789 4.582 97 2HG PRO 12 1HG PRO 12 -34.899 2.515 5.262 98 1HD PRO 12 2HD PRO 12 -32.161 2.328 4.115 99 2HD PRO 12 1HD PRO 12 -32.915 1.372 5.406 100 H VAL 13 H VAL 13 -36.238 -0.223 1.316 101 HA VAL 13 HA VAL 13 -34.684 -0.501 -0.990 102 HB VAL 13 HB VAL 13 -37.693 -0.584 -0.827 103 1HG1 VAL 13 3HG1 VAL 13 -35.724 -1.226 -2.929 104 2HG1 VAL 13 2HG1 VAL 13 -36.971 -2.445 -2.668 105 3HG1 VAL 13 1HG1 VAL 13 -37.428 -0.790 -3.065 106 1HG2 VAL 13 3HG2 VAL 13 -36.698 -2.028 0.857 107 2HG2 VAL 13 2HG2 VAL 13 -37.413 -2.991 -0.436 108 3HG2 VAL 13 1HG2 VAL 13 -35.665 -2.770 -0.365 109 H SER 14 H SER 14 -34.467 2.180 -0.413 110 HA SER 14 HA SER 14 -36.246 3.845 -1.826 111 1HB SER 14 2HB SER 14 -34.430 5.529 -1.706 112 2HB SER 14 1HB SER 14 -34.696 4.736 -0.153 113 HG SER 14 HG SER 14 -32.521 4.729 -0.478 114 H LYS 15 H LYS 15 -33.461 4.855 -3.128 115 HA LYS 15 HA LYS 15 -34.194 4.122 -5.772 116 1HB LYS 15 2HB LYS 15 -32.570 6.068 -4.622 117 2HB LYS 15 1HB LYS 15 -31.435 5.057 -5.499 118 1HG LYS 15 2HG LYS 15 -31.999 6.616 -7.084 119 2HG LYS 15 1HG LYS 15 -33.134 5.316 -7.455 120 1HD LYS 15 2HD LYS 15 -34.810 6.499 -6.010 121 2HD LYS 15 1HD LYS 15 -33.677 7.847 -5.908 122 1HE LYS 15 2HE LYS 15 -33.922 8.394 -8.142 123 2HE LYS 15 1HE LYS 15 -34.479 6.780 -8.582 124 1HZ LYS 15 3HZ LYS 15 -36.535 7.278 -7.292 125 2HZ LYS 15 2HZ LYS 15 -36.006 8.877 -7.143 126 3HZ LYS 15 1HZ LYS 15 -36.332 8.234 -8.674 127 H CYS 16 H CYS 16 -33.015 2.838 -7.268 128 HA CYS 16 HA CYS 16 -30.789 1.258 -6.590 129 1HB CYS 16 2HB CYS 16 -33.331 0.244 -5.679 130 2HB CYS 16 1HB CYS 16 -32.652 -0.853 -6.877 131 H GLN 17 H GLN 17 -33.636 1.772 -8.539 132 HA GLN 17 HA GLN 17 -32.748 0.219 -10.773 133 1HB GLN 17 2HB GLN 17 -34.797 2.442 -10.715 134 2HB GLN 17 1HB GLN 17 -34.614 1.219 -11.964 135 1HG GLN 17 2HG GLN 17 -35.099 -0.494 -10.174 136 2HG GLN 17 1HG GLN 17 -35.569 0.857 -9.144 137 1HE2 GLN 17 2HE2 GLN 17 -38.584 1.517 -10.823 138 2HE2 GLN 17 1HE2 GLN 17 -37.351 2.164 -9.800 139 H LEU 18 H LEU 18 -30.728 1.942 -9.871 140 HA LEU 18 HA LEU 18 -30.030 3.266 -12.326 141 1HB LEU 18 2HB LEU 18 -30.658 4.851 -9.845 142 2HB LEU 18 1HB LEU 18 -29.535 5.450 -11.047 143 HG LEU 18 HG LEU 18 -32.473 4.892 -11.457 144 1HD1 LEU 18 3HD1 LEU 18 -31.630 6.966 -10.178 145 2HD1 LEU 18 2HD1 LEU 18 -31.091 7.520 -11.763 146 3HD1 LEU 18 1HD1 LEU 18 -32.799 7.180 -11.481 147 1HD2 LEU 18 2HD2 LEU 18 -30.282 5.601 -13.377 148 2HD2 LEU 18 1HD2 LEU 18 -31.547 4.383 -13.539 149 3HD2 LEU 18 3HD2 LEU 18 -31.949 6.093 -13.677 150 H ALA 19 H ALA 19 -28.762 4.655 -9.485 151 HA ALA 19 HA ALA 19 -26.753 2.849 -8.736 152 1HB ALA 19 3HB ALA 19 -25.937 3.188 -11.044 153 2HB ALA 19 2HB ALA 19 -25.793 4.913 -10.718 154 3HB ALA 19 1HB ALA 19 -24.794 3.761 -9.833 155 H ASN 20 H ASN 20 -24.658 4.829 -8.441 156 HA ASN 20 HA ASN 20 -23.964 6.360 -6.930 157 1HB ASN 20 2HB ASN 20 -26.341 7.463 -8.161 158 2HB ASN 20 1HB ASN 20 -26.205 8.028 -6.501 159 1HD2 ASN 20 2HD2 ASN 20 -23.184 9.816 -7.066 160 2HD2 ASN 20 1HD2 ASN 20 -24.006 8.848 -5.895 161 H GLN 21 H GLN 21 -27.357 6.499 -5.951 162 HA GLN 21 HA GLN 21 -27.164 6.523 -3.295 163 1HB GLN 21 2HB GLN 21 -29.214 6.040 -5.014 164 2HB GLN 21 1HB GLN 21 -29.117 4.488 -4.198 165 1HG GLN 21 2HG GLN 21 -30.714 5.873 -3.079 166 2HG GLN 21 1HG GLN 21 -29.311 5.654 -2.032 167 1HE2 GLN 21 1HE2 GLN 21 -28.347 7.656 -4.422 168 2HE2 GLN 21 2HE2 GLN 21 -28.658 9.185 -3.680 169 H CYS 22 H CYS 22 -27.785 3.330 -4.716 170 HA CYS 22 HA CYS 22 -26.811 1.864 -2.554 171 1HB CYS 22 2HB CYS 22 -28.204 1.139 -4.640 172 2HB CYS 22 1HB CYS 22 -26.634 0.834 -5.371 173 H ASN 23 H ASN 23 -25.235 2.623 -5.638 174 HA ASN 23 HA ASN 23 -22.795 1.406 -5.206 175 1HB ASN 23 2HB ASN 23 -23.888 2.831 -7.232 176 2HB ASN 23 1HB ASN 23 -22.719 4.007 -6.634 177 1HD2 ASN 23 2HD2 ASN 23 -19.884 2.169 -7.623 178 2HD2 ASN 23 1HD2 ASN 23 -20.486 3.338 -6.503 179 H TYR 24 H TYR 24 -23.015 4.948 -5.127 180 HA TYR 24 HA TYR 24 -20.734 5.483 -3.748 181 1HB TYR 24 2HB TYR 24 -21.554 7.507 -4.298 182 2HB TYR 24 1HB TYR 24 -23.205 6.911 -4.320 183 HD1 TYR 24 HD1 TYR 24 -20.587 7.651 -1.756 184 HD2 TYR 24 HD2 TYR 24 -24.664 7.997 -2.914 185 HE1 TYR 24 HE1 TYR 24 -21.053 8.913 0.294 186 HE2 TYR 24 HE2 TYR 24 -25.145 9.266 -0.864 187 HH TYR 24 HH TYR 24 -23.401 9.281 1.743 188 H ASP 25 H ASP 25 -23.920 4.917 -2.227 189 HA ASP 25 HA ASP 25 -23.166 5.335 0.401 190 1HB ASP 25 2HB ASP 25 -25.182 3.383 -0.705 191 2HB ASP 25 1HB ASP 25 -25.013 3.748 1.007 192 H CYS 26 H CYS 26 -23.426 2.065 -1.049 193 HA CYS 26 HA CYS 26 -22.078 0.854 1.064 194 1HB CYS 26 2HB CYS 26 -23.094 0.029 -1.480 195 2HB CYS 26 1HB CYS 26 -21.495 -0.676 -1.241 196 H LYS 27 H LYS 27 -20.857 2.580 -1.700 197 HA LYS 27 HA LYS 27 -18.201 1.670 -1.647 198 1HB LYS 27 2HB LYS 27 -19.653 3.556 -3.124 199 2HB LYS 27 1HB LYS 27 -18.372 4.484 -2.368 200 1HG LYS 27 2HG LYS 27 -16.698 3.046 -3.331 201 2HG LYS 27 1HG LYS 27 -17.943 1.985 -3.989 202 1HD LYS 27 2HD LYS 27 -17.211 3.358 -5.780 203 2HD LYS 27 1HD LYS 27 -18.791 3.970 -5.291 204 1HE LYS 27 2HE LYS 27 -16.322 5.149 -4.091 205 2HE LYS 27 1HE LYS 27 -16.798 5.615 -5.722 206 1HZ LYS 27 3HZ LYS 27 -18.951 5.683 -3.807 207 2HZ LYS 27 2HZ LYS 27 -17.699 6.767 -3.461 208 3HZ LYS 27 1HZ LYS 27 -18.486 6.836 -4.956 209 H LEU 28 H LEU 28 -19.793 3.015 0.856 210 HA LEU 28 HA LEU 28 -17.352 3.656 2.234 211 1HB LEU 28 2HB LEU 28 -17.540 5.773 1.212 212 2HB LEU 28 1HB LEU 28 -19.276 5.825 1.455 213 HG LEU 28 HG LEU 28 -18.934 6.093 3.877 214 1HD1 LEU 28 1HD1 LEU 28 -16.081 5.756 3.084 215 2HD1 LEU 28 3HD1 LEU 28 -16.482 6.782 4.462 216 3HD1 LEU 28 2HD1 LEU 28 -16.957 5.083 4.459 217 1HD2 LEU 28 1HD2 LEU 28 -17.666 8.032 1.977 218 2HD2 LEU 28 3HD2 LEU 28 -19.225 8.130 2.795 219 3HD2 LEU 28 2HD2 LEU 28 -17.735 8.365 3.707 220 H ASP 29 H ASP 29 -20.850 3.495 2.177 221 HA ASP 29 HA ASP 29 -21.244 3.755 4.982 222 1HB ASP 29 2HB ASP 29 -22.937 2.571 2.777 223 2HB ASP 29 1HB ASP 29 -23.469 2.627 4.453 224 H LYS 30 H LYS 30 -20.042 1.289 2.994 225 HA LYS 30 HA LYS 30 -19.933 -0.554 5.262 226 1HB LYS 30 2HB LYS 30 -21.213 -1.070 2.611 227 2HB LYS 30 1HB LYS 30 -20.355 -2.388 3.395 228 1HG LYS 30 2HG LYS 30 -22.298 -0.891 5.053 229 2HG LYS 30 1HG LYS 30 -22.957 -1.915 3.777 230 1HD LYS 30 2HD LYS 30 -21.580 -3.797 4.693 231 2HD LYS 30 1HD LYS 30 -21.152 -2.750 6.047 232 1HE LYS 30 2HE LYS 30 -23.641 -2.481 6.443 233 2HE LYS 30 1HE LYS 30 -23.873 -3.800 5.293 234 1HZ LYS 30 2HZ LYS 30 -22.357 -5.136 6.746 235 2HZ LYS 30 1HZ LYS 30 -22.450 -3.897 7.894 236 3HZ LYS 30 3HZ LYS 30 -23.846 -4.743 7.446 237 H HIS 31 H HIS 31 -18.385 1.113 2.895 238 HA HIS 31 HA HIS 31 -16.274 1.093 2.056 239 1HB HIS 31 2HB HIS 31 -15.551 -1.233 3.804 240 2HB HIS 31 1HB HIS 31 -14.575 0.158 3.344 241 HD1 HIS 31 HD1 HIS 31 -16.573 -1.147 6.063 242 HD2 HIS 31 HD2 HIS 31 -15.483 2.625 4.701 243 HE1 HIS 31 HE1 HIS 31 -16.995 0.413 7.991 244 HE2 HIS 31 HE2 HIS 31 -16.366 2.694 7.132 245 H ALA 32 H ALA 32 -18.212 -0.308 0.652 246 HA ALA 32 HA ALA 32 -17.049 -2.848 -0.154 247 1HB ALA 32 2HB ALA 32 -19.647 -1.950 -0.020 248 2HB ALA 32 1HB ALA 32 -19.313 -1.884 -1.749 249 3HB ALA 32 3HB ALA 32 -19.111 -3.399 -0.870 250 H ARG 33 H ARG 33 -17.473 -3.053 -2.776 251 HA ARG 33 HA ARG 33 -15.543 -1.164 -3.915 252 1HB ARG 33 2HB ARG 33 -15.415 -3.805 -3.996 253 2HB ARG 33 1HB ARG 33 -16.482 -3.596 -5.378 254 1HG ARG 33 2HG ARG 33 -14.697 -1.885 -6.167 255 2HG ARG 33 1HG ARG 33 -13.649 -2.735 -5.029 256 1HD ARG 33 2HD ARG 33 -13.387 -3.706 -7.213 257 2HD ARG 33 1HD ARG 33 -14.209 -4.860 -6.165 258 HE ARG 33 HE ARG 33 -16.279 -3.683 -7.359 259 1HH1 ARG 33 1HH2 ARG 33 -13.294 -4.915 -8.661 260 2HH1 ARG 33 2HH2 ARG 33 -13.978 -5.314 -10.203 261 1HH2 ARG 33 2HH1 ARG 33 -17.193 -4.210 -9.388 262 2HH2 ARG 33 1HH1 ARG 33 -16.192 -4.917 -10.613 263 H SER 34 H SER 34 -18.525 -2.838 -4.905 264 HA SER 34 HA SER 34 -19.730 -0.453 -5.906 265 1HB SER 34 2HB SER 34 -19.799 -1.164 -8.311 266 2HB SER 34 1HB SER 34 -18.189 -0.710 -7.751 267 HG SER 34 HG SER 34 -18.623 -2.825 -8.992 268 H GLY 35 H GLY 35 -21.925 -0.729 -6.019 269 1HA GLY 35 2HA GLY 35 -22.895 -3.524 -5.834 270 2HA GLY 35 1HA GLY 35 -23.555 -2.213 -4.877 271 H GLU 36 H GLU 36 -25.513 -3.110 -5.711 272 HA GLU 36 HA GLU 36 -26.691 -1.485 -7.661 273 1HB GLU 36 2HB GLU 36 -25.262 -3.449 -8.906 274 2HB GLU 36 1HB GLU 36 -26.817 -4.246 -8.733 275 1HG GLU 36 2HG GLU 36 -27.904 -2.390 -9.880 276 2HG GLU 36 1HG GLU 36 -26.344 -1.585 -10.054 277 H CYS 37 H CYS 37 -28.573 -3.762 -8.437 278 HA CYS 37 HA CYS 37 -29.663 -4.527 -5.858 279 1HB CYS 37 2HB CYS 37 -30.616 -2.219 -7.190 280 2HB CYS 37 1HB CYS 37 -31.868 -3.444 -7.359 281 H PHE 38 H PHE 38 -30.800 -6.399 -5.894 282 HA PHE 38 HA PHE 38 -31.761 -7.439 -8.448 283 1HB PHE 38 2HB PHE 38 -29.811 -8.915 -6.667 284 2HB PHE 38 1HB PHE 38 -30.785 -9.715 -7.886 285 HD1 PHE 38 HD1 PHE 38 -30.549 -7.844 -10.188 286 HD2 PHE 38 HD2 PHE 38 -27.637 -9.151 -7.362 287 HE1 PHE 38 HE1 PHE 38 -28.774 -7.435 -11.826 288 HE2 PHE 38 HE2 PHE 38 -25.862 -8.730 -8.996 289 HZ PHE 38 HZ PHE 38 -26.427 -7.875 -11.237 290 H TYR 39 H TYR 39 -33.253 -9.213 -8.233 291 HA TYR 39 HA TYR 39 -35.024 -8.815 -6.047 292 1HB TYR 39 2HB TYR 39 -35.006 -10.542 -8.470 293 2HB TYR 39 1HB TYR 39 -36.150 -10.901 -7.180 294 HD1 TYR 39 HD1 TYR 39 -34.956 -8.051 -9.264 295 HD2 TYR 39 HD2 TYR 39 -38.214 -9.833 -7.181 296 HE1 TYR 39 HE1 TYR 39 -36.457 -6.315 -10.145 297 HE2 TYR 39 HE2 TYR 39 -39.726 -8.104 -8.069 298 HH TYR 39 HH TYR 39 -39.899 -6.245 -9.275 299 H ASP 40 H ASP 40 -35.981 -10.749 -4.866 300 HA ASP 40 HA ASP 40 -34.245 -12.957 -4.318 301 1HB ASP 40 2HB ASP 40 -33.736 -12.423 -2.003 302 2HB ASP 40 1HB ASP 40 -33.112 -11.156 -3.054 303 H GLU 41 H GLU 41 -35.159 -13.452 -1.689 304 HA GLU 41 HA GLU 41 -37.557 -14.792 -2.229 305 1HB GLU 41 2HB GLU 41 -37.609 -15.216 0.222 306 2HB GLU 41 1HB GLU 41 -36.058 -15.589 -0.518 307 1HG GLU 41 2HG GLU 41 -35.099 -13.564 0.328 308 2HG GLU 41 1HG GLU 41 -36.667 -13.019 0.920 309 H LYS 42 H LYS 42 -37.058 -11.523 -1.553 310 HA LYS 42 HA LYS 42 -39.667 -11.154 -0.289 311 1HB LYS 42 2HB LYS 42 -37.608 -9.943 0.507 312 2HB LYS 42 1HB LYS 42 -37.632 -9.042 -1.002 313 1HG LYS 42 2HG LYS 42 -39.056 -7.573 -0.110 314 2HG LYS 42 1HG LYS 42 -40.233 -8.863 0.137 315 1HD LYS 42 2HD LYS 42 -37.987 -8.311 2.064 316 2HD LYS 42 1HD LYS 42 -39.569 -7.540 2.189 317 1HE LYS 42 2HE LYS 42 -39.513 -10.495 1.925 318 2HE LYS 42 1HE LYS 42 -38.970 -9.812 3.458 319 1HZ LYS 42 1HZ LYS 42 -41.183 -8.452 3.191 320 2HZ LYS 42 3HZ LYS 42 -41.634 -9.784 2.251 321 3HZ LYS 42 2HZ LYS 42 -41.181 -10.003 3.866 322 H ARG 43 H ARG 43 -38.903 -11.726 -3.317 323 HA ARG 43 HA ARG 43 -39.702 -11.159 -5.362 324 1HB ARG 43 2HB ARG 43 -41.933 -11.324 -5.433 325 2HB ARG 43 1HB ARG 43 -41.800 -11.543 -3.697 326 1HG ARG 43 2HG ARG 43 -42.259 -9.163 -3.367 327 2HG ARG 43 1HG ARG 43 -42.402 -8.958 -5.115 328 1HD ARG 43 2HD ARG 43 -44.599 -9.233 -4.411 329 2HD ARG 43 1HD ARG 43 -44.122 -10.829 -4.995 330 HE ARG 43 HE ARG 43 -43.629 -11.254 -2.515 331 1HH1 ARG 43 1HH2 ARG 43 -46.209 -9.248 -3.719 332 2HH1 ARG 43 2HH2 ARG 43 -47.211 -9.480 -2.326 333 1HH2 ARG 43 2HH1 ARG 43 -44.935 -11.563 -0.679 334 2HH2 ARG 43 1HH1 ARG 43 -46.486 -10.798 -0.595 335 H ASN 44 H ASN 44 -38.697 -8.907 -3.294 336 HA ASN 44 HA ASN 44 -39.398 -6.608 -4.981 337 1HB ASN 44 2HB ASN 44 -38.102 -6.725 -2.244 338 2HB ASN 44 1HB ASN 44 -38.458 -5.243 -3.129 339 1HD2 ASN 44 2HD2 ASN 44 -42.032 -6.823 -2.734 340 2HD2 ASN 44 1HD2 ASN 44 -40.875 -7.207 -3.959 341 H LEU 45 H LEU 45 -36.787 -5.467 -3.633 342 HA LEU 45 HA LEU 45 -34.741 -6.887 -5.078 343 1HB LEU 45 2HB LEU 45 -34.053 -4.562 -6.131 344 2HB LEU 45 1HB LEU 45 -35.118 -5.683 -6.959 345 HG LEU 45 HG LEU 45 -36.148 -3.420 -5.257 346 1HD1 LEU 45 2HD1 LEU 45 -34.722 -2.527 -7.041 347 2HD1 LEU 45 1HD1 LEU 45 -35.672 -3.417 -8.233 348 3HD1 LEU 45 3HD1 LEU 45 -36.425 -2.131 -7.289 349 1HD2 LEU 45 3HD2 LEU 45 -37.348 -5.524 -6.945 350 2HD2 LEU 45 2HD2 LEU 45 -38.012 -4.647 -5.566 351 3HD2 LEU 45 1HD2 LEU 45 -38.013 -3.905 -7.161 352 H GLN 46 H GLN 46 -33.104 -7.017 -3.820 353 HA GLN 46 HA GLN 46 -32.691 -5.019 -1.726 354 1HB GLN 46 2HB GLN 46 -31.749 -7.843 -2.120 355 2HB GLN 46 1HB GLN 46 -30.980 -6.788 -0.942 356 1HG GLN 46 2HG GLN 46 -33.901 -7.512 -0.995 357 2HG GLN 46 1HG GLN 46 -32.683 -8.223 0.065 358 1HE2 GLN 46 2HE2 GLN 46 -32.368 -4.578 1.289 359 2HE2 GLN 46 1HE2 GLN 46 -31.451 -5.402 0.079 360 H CYS 47 H CYS 47 -30.663 -4.117 -1.294 361 HA CYS 47 HA CYS 47 -29.152 -3.444 -3.644 362 1HB CYS 47 2HB CYS 47 -29.548 -2.367 -0.998 363 2HB CYS 47 1HB CYS 47 -27.826 -2.448 -1.347 364 H ILE 48 H ILE 48 -27.635 -4.732 -4.428 365 HA ILE 48 HA ILE 48 -26.130 -6.464 -2.593 366 HB ILE 48 HB ILE 48 -25.428 -7.150 -5.249 367 1HG1 ILE 48 2HG1 ILE 48 -28.052 -7.836 -5.701 368 2HG1 ILE 48 1HG1 ILE 48 -28.228 -6.215 -5.092 369 1HG2 ILE 48 1HG2 ILE 48 -25.578 -8.634 -3.288 370 2HG2 ILE 48 3HG2 ILE 48 -27.338 -8.552 -3.387 371 3HG2 ILE 48 2HG2 ILE 48 -26.414 -9.277 -4.703 372 1HD1 ILE 48 1HD1 ILE 48 -26.403 -6.977 -7.343 373 2HD1 ILE 48 3HD1 ILE 48 -28.030 -6.327 -7.541 374 3HD1 ILE 48 2HD1 ILE 48 -26.771 -5.357 -6.778 375 H CYS 49 H CYS 49 -24.258 -5.700 -1.911 376 HA CYS 49 HA CYS 49 -22.748 -3.838 -3.594 377 1HB CYS 49 2HB CYS 49 -22.198 -4.501 -0.712 378 2HB CYS 49 1HB CYS 49 -21.640 -3.102 -1.623 379 H ASP 50 H ASP 50 -20.814 -4.269 -4.435 380 HA ASP 50 HA ASP 50 -19.796 -6.992 -4.145 381 1HB ASP 50 2HB ASP 50 -20.221 -5.786 -6.413 382 2HB ASP 50 1HB ASP 50 -18.699 -4.968 -6.075 383 H TYR 51 H TYR 51 -18.308 -7.373 -2.751 384 HA TYR 51 HA TYR 51 -16.475 -5.261 -1.871 385 1HB TYR 51 2HB TYR 51 -17.279 -7.910 -0.681 386 2HB TYR 51 1HB TYR 51 -16.074 -6.844 0.036 387 HD1 TYR 51 HD1 TYR 51 -19.631 -7.376 -0.620 388 HD2 TYR 51 HD2 TYR 51 -16.759 -4.765 1.123 389 HE1 TYR 51 HE1 TYR 51 -21.431 -6.208 0.576 390 HE2 TYR 51 HE2 TYR 51 -18.555 -3.587 2.325 391 HH TYR 51 HH TYR 51 -21.570 -3.586 1.592 392 H CYS 52 H CYS 52 -15.601 -6.020 -4.248 393 HA CYS 52 HA CYS 52 -13.729 -8.250 -3.925 394 1HB CYS 52 2HB CYS 52 -15.181 -7.101 -6.125 395 2HB CYS 52 1HB CYS 52 -13.467 -7.134 -6.510 396 H GLU 53 H GLU 53 -13.470 -5.501 -2.699 397 HA GLU 53 HA GLU 53 -11.223 -4.294 -4.012 398 1HB GLU 53 2HB GLU 53 -12.857 -2.998 -2.667 399 2HB GLU 53 1HB GLU 53 -12.276 -3.812 -1.220 400 1HG GLU 53 2HG GLU 53 -10.366 -2.596 -1.131 401 2HG GLU 53 1HG GLU 53 -10.238 -2.470 -2.884 402 H TYR 54 HN TYR 54 -11.393 -7.124 -2.475 403 HA TYR 54 HA TYR 54 -8.939 -6.854 -0.911 404 1HB TYR 54 2HB TYR 54 -11.184 -8.759 -1.001 405 2HB TYR 54 1HB TYR 54 -9.611 -9.509 -0.756 406 HD1 TYR 54 HD2 TYR 54 -12.114 -7.237 0.664 407 HD2 TYR 54 HD1 TYR 54 -8.356 -9.136 1.277 408 HE1 TYR 54 HE2 TYR 54 -12.210 -6.645 3.049 409 HE2 TYR 54 HE1 TYR 54 -8.442 -8.550 3.665 410 HH TYR 54 HH TYR 54 -9.934 -6.395 4.976 No H/Q in entry = 410 Start of MODEL 25 1 HN PCA 1 HN PCA 1 -23.736 -16.531 -11.126 2 HA PCA 1 HA PCA 1 -22.472 -14.340 -11.340 3 1HB PCA 1 1HB PCA 1 -23.621 -12.705 -12.401 4 2HB PCA 1 2HB PCA 1 -24.698 -12.557 -10.992 5 1HG PCA 1 1HG PCA 1 -25.277 -13.757 -13.545 6 2HG PCA 1 2HG PCA 1 -26.331 -13.687 -12.121 7 H ASP 2 H ASP 2 -21.563 -14.095 -9.403 8 HA ASP 2 HA ASP 2 -22.863 -13.047 -7.150 9 1HB ASP 2 2HB ASP 2 -22.746 -15.098 -5.678 10 2HB ASP 2 1HB ASP 2 -24.000 -15.139 -6.911 11 H LYS 3 H LYS 3 -21.319 -14.316 -5.115 12 HA LYS 3 HA LYS 3 -19.261 -14.343 -4.155 13 1HB LYS 3 2HB LYS 3 -18.019 -14.091 -6.888 14 2HB LYS 3 1HB LYS 3 -17.315 -14.780 -5.435 15 1HG LYS 3 2HG LYS 3 -18.916 -16.635 -5.549 16 2HG LYS 3 1HG LYS 3 -19.583 -15.952 -7.032 17 1HD LYS 3 2HD LYS 3 -17.239 -16.091 -7.988 18 2HD LYS 3 1HD LYS 3 -16.823 -17.067 -6.578 19 1HE LYS 3 2HE LYS 3 -18.308 -18.783 -7.199 20 2HE LYS 3 1HE LYS 3 -19.137 -17.756 -8.366 21 1HZ LYS 3 3HZ LYS 3 -16.291 -18.213 -8.800 22 2HZ LYS 3 2HZ LYS 3 -17.321 -19.528 -9.070 23 3HZ LYS 3 1HZ LYS 3 -17.550 -18.086 -9.923 24 H CYS 4 H CYS 4 -17.655 -12.889 -3.462 25 HA CYS 4 HA CYS 4 -16.951 -10.814 -2.861 26 1HB CYS 4 2HB CYS 4 -16.681 -11.001 -5.790 27 2HB CYS 4 1HB CYS 4 -16.612 -9.363 -5.155 28 H LYS 5 H LYS 5 -19.593 -10.996 -2.419 29 HA LYS 5 HA LYS 5 -20.446 -8.253 -2.870 30 1HB LYS 5 2HB LYS 5 -22.426 -8.680 -3.950 31 2HB LYS 5 1HB LYS 5 -21.409 -9.927 -4.649 32 1HG LYS 5 2HG LYS 5 -23.357 -10.331 -2.382 33 2HG LYS 5 1HG LYS 5 -23.630 -10.753 -4.071 34 1HD LYS 5 2HD LYS 5 -21.662 -12.267 -3.957 35 2HD LYS 5 1HD LYS 5 -21.546 -11.923 -2.232 36 1HE LYS 5 2HE LYS 5 -22.732 -13.994 -2.542 37 2HE LYS 5 1HE LYS 5 -23.853 -12.771 -1.949 38 1HZ LYS 5 3HZ LYS 5 -23.739 -12.872 -4.809 39 2HZ LYS 5 2HZ LYS 5 -24.223 -14.346 -4.135 40 3HZ LYS 5 1HZ LYS 5 -25.081 -12.932 -3.782 41 H LYS 6 H LYS 6 -22.131 -7.551 -1.409 42 HA LYS 6 HA LYS 6 -22.817 -9.327 0.782 43 1HB LYS 6 2HB LYS 6 -21.339 -6.752 1.343 44 2HB LYS 6 1HB LYS 6 -21.887 -7.933 2.523 45 1HG LYS 6 2HG LYS 6 -20.339 -9.587 1.462 46 2HG LYS 6 1HG LYS 6 -19.701 -8.265 0.483 47 1HD LYS 6 2HD LYS 6 -18.909 -7.114 2.412 48 2HD LYS 6 1HD LYS 6 -19.771 -8.208 3.495 49 1HE LYS 6 2HE LYS 6 -18.285 -9.955 3.111 50 2HE LYS 6 1HE LYS 6 -17.696 -9.252 1.605 51 1HZ LYS 6 2HZ LYS 6 -17.031 -7.374 3.411 52 2HZ LYS 6 1HZ LYS 6 -16.830 -8.787 4.318 53 3HZ LYS 6 3HZ LYS 6 -15.988 -8.588 2.863 54 H VAL 7 H VAL 7 -24.944 -9.074 0.855 55 HA VAL 7 HA VAL 7 -26.308 -6.747 0.010 56 HB VAL 7 HB VAL 7 -28.141 -8.039 0.101 57 1HG1 VAL 7 3HG1 VAL 7 -26.257 -9.653 -0.434 58 2HG1 VAL 7 2HG1 VAL 7 -26.450 -10.249 1.214 59 3HG1 VAL 7 1HG1 VAL 7 -27.793 -10.352 0.077 60 1HG2 VAL 7 2HG2 VAL 7 -27.404 -8.671 2.957 61 2HG2 VAL 7 1HG2 VAL 7 -28.661 -7.576 2.380 62 3HG2 VAL 7 3HG2 VAL 7 -28.835 -9.316 2.153 63 H TYR 8 H TYR 8 -27.360 -5.138 1.156 64 HA TYR 8 HA TYR 8 -26.131 -4.286 3.546 65 1HB TYR 8 2HB TYR 8 -27.418 -2.901 1.775 66 2HB TYR 8 1HB TYR 8 -28.851 -3.350 2.688 67 HD1 TYR 8 HD2 TYR 8 -28.409 -3.013 5.382 68 HD2 TYR 8 HD1 TYR 8 -26.596 -0.814 2.225 69 HE1 TYR 8 HE2 TYR 8 -27.994 -1.154 6.927 70 HE2 TYR 8 HE1 TYR 8 -26.176 1.060 3.764 71 HH TYR 8 HH TYR 8 -27.043 0.836 7.202 72 H GLU 9 H GLU 9 -29.537 -4.885 3.149 73 HA GLU 9 HA GLU 9 -30.860 -6.489 4.202 74 1HB GLU 9 2HB GLU 9 -30.241 -7.736 6.038 75 2HB GLU 9 1HB GLU 9 -28.712 -7.471 5.227 76 1HG GLU 9 2HG GLU 9 -28.047 -7.003 7.337 77 2HG GLU 9 1HG GLU 9 -28.647 -5.400 6.937 78 H ASN 10 H ASN 10 -32.363 -4.913 4.185 79 HA ASN 10 HA ASN 10 -34.086 -4.020 5.542 80 1HB ASN 10 2HB ASN 10 -32.719 -4.409 7.640 81 2HB ASN 10 1HB ASN 10 -31.969 -2.840 7.341 82 1HD2 ASN 10 2HD2 ASN 10 -35.839 -3.095 8.593 83 2HD2 ASN 10 1HD2 ASN 10 -35.041 -4.457 7.891 84 H TYR 11 H TYR 11 -31.361 -2.738 4.041 85 HA TYR 11 HA TYR 11 -31.678 -0.007 4.199 86 1HB TYR 11 2HB TYR 11 -29.848 -1.245 2.996 87 2HB TYR 11 1HB TYR 11 -30.974 -1.480 1.661 88 HD1 TYR 11 HD2 TYR 11 -29.424 1.199 3.733 89 HD2 TYR 11 HD1 TYR 11 -31.133 0.132 -0.014 90 HE1 TYR 11 HE2 TYR 11 -28.800 3.400 2.830 91 HE2 TYR 11 HE1 TYR 11 -30.515 2.330 -0.929 92 HH TYR 11 HH TYR 11 -28.998 4.135 -0.526 93 HA PRO 12 HA PRO 12 -35.956 0.467 2.743 94 1HB PRO 12 2HB PRO 12 -34.782 3.166 2.174 95 2HB PRO 12 1HB PRO 12 -36.345 2.752 2.889 96 1HG PRO 12 2HG PRO 12 -34.315 3.551 4.417 97 2HG PRO 12 1HG PRO 12 -35.424 2.280 4.961 98 1HD PRO 12 2HD PRO 12 -32.614 2.070 4.037 99 2HD PRO 12 1HD PRO 12 -33.520 1.026 5.150 100 H VAL 13 H VAL 13 -36.300 -0.535 0.844 101 HA VAL 13 HA VAL 13 -34.706 -0.507 -1.410 102 HB VAL 13 HB VAL 13 -37.699 -0.872 -1.242 103 1HG1 VAL 13 2HG1 VAL 13 -35.790 -1.109 -3.523 104 2HG1 VAL 13 1HG1 VAL 13 -37.172 -2.201 -3.429 105 3HG1 VAL 13 3HG1 VAL 13 -37.428 -0.458 -3.490 106 1HG2 VAL 13 2HG2 VAL 13 -36.354 -2.478 0.057 107 2HG2 VAL 13 1HG2 VAL 13 -37.197 -3.243 -1.291 108 3HG2 VAL 13 3HG2 VAL 13 -35.472 -2.901 -1.411 109 H SER 14 H SER 14 -37.853 1.138 -1.284 110 HA SER 14 HA SER 14 -38.596 2.740 -2.839 111 1HB SER 14 2HB SER 14 -37.801 4.963 -1.913 112 2HB SER 14 1HB SER 14 -38.489 3.850 -0.732 113 HG SER 14 HG SER 14 -36.620 3.728 0.227 114 H LYS 15 H LYS 15 -35.632 4.452 -2.339 115 HA LYS 15 HA LYS 15 -35.273 4.890 -5.126 116 1HB LYS 15 2HB LYS 15 -34.595 6.576 -3.511 117 2HB LYS 15 1HB LYS 15 -33.450 5.461 -2.782 118 1HG LYS 15 2HG LYS 15 -32.214 6.966 -4.134 119 2HG LYS 15 1HG LYS 15 -32.229 5.411 -4.965 120 1HD LYS 15 2HD LYS 15 -32.603 7.292 -6.502 121 2HD LYS 15 1HD LYS 15 -33.981 6.195 -6.454 122 1HE LYS 15 2HE LYS 15 -35.326 7.712 -5.391 123 2HE LYS 15 1HE LYS 15 -33.974 8.521 -4.601 124 1HZ LYS 15 1HZ LYS 15 -34.169 8.707 -7.514 125 2HZ LYS 15 3HZ LYS 15 -35.257 9.618 -6.593 126 3HZ LYS 15 2HZ LYS 15 -33.591 9.837 -6.398 127 H CYS 16 H CYS 16 -34.641 3.295 -6.447 128 HA CYS 16 HA CYS 16 -32.088 2.127 -6.226 129 1HB CYS 16 2HB CYS 16 -34.145 0.795 -4.758 130 2HB CYS 16 1HB CYS 16 -33.675 -0.248 -6.091 131 H GLN 17 H GLN 17 -32.923 3.435 -8.270 132 HA GLN 17 HA GLN 17 -33.337 1.416 -10.346 133 1HB GLN 17 2HB GLN 17 -34.860 4.023 -10.335 134 2HB GLN 17 1HB GLN 17 -35.030 2.693 -11.473 135 1HG GLN 17 2HG GLN 17 -35.618 1.359 -9.269 136 2HG GLN 17 1HG GLN 17 -36.059 2.969 -8.705 137 1HE2 GLN 17 2HE2 GLN 17 -39.143 1.690 -10.045 138 2HE2 GLN 17 1HE2 GLN 17 -38.119 1.528 -8.664 139 H LEU 18 H LEU 18 -31.133 3.178 -9.295 140 HA LEU 18 HA LEU 18 -29.949 3.832 -11.785 141 1HB LEU 18 2HB LEU 18 -31.361 5.933 -10.309 142 2HB LEU 18 1HB LEU 18 -29.696 6.351 -10.666 143 HG LEU 18 HG LEU 18 -31.353 5.272 -12.881 144 1HD1 LEU 18 2HD1 LEU 18 -31.637 8.045 -11.749 145 2HD1 LEU 18 1HD1 LEU 18 -32.140 7.593 -13.377 146 3HD1 LEU 18 3HD1 LEU 18 -32.904 6.840 -11.978 147 1HD2 LEU 18 3HD2 LEU 18 -29.214 7.383 -12.676 148 2HD2 LEU 18 2HD2 LEU 18 -29.025 5.741 -13.292 149 3HD2 LEU 18 1HD2 LEU 18 -30.020 6.902 -14.170 150 H ALA 19 H ALA 19 -27.849 3.489 -11.556 151 HA ALA 19 HA ALA 19 -26.644 2.771 -9.153 152 1HB ALA 19 1HB ALA 19 -25.634 3.461 -11.866 153 2HB ALA 19 3HB ALA 19 -24.477 3.305 -10.543 154 3HB ALA 19 2HB ALA 19 -25.519 1.946 -10.968 155 H ASN 20 H ASN 20 -26.710 4.184 -7.480 156 HA ASN 20 HA ASN 20 -24.794 6.225 -7.330 157 1HB ASN 20 2HB ASN 20 -26.383 7.457 -8.769 158 2HB ASN 20 1HB ASN 20 -27.637 7.241 -7.552 159 1HD2 ASN 20 2HD2 ASN 20 -24.877 9.267 -5.592 160 2HD2 ASN 20 1HD2 ASN 20 -24.871 7.561 -5.865 161 H GLN 21 H GLN 21 -28.112 5.995 -6.053 162 HA GLN 21 HA GLN 21 -27.590 6.621 -3.438 163 1HB GLN 21 2HB GLN 21 -29.852 6.401 -4.177 164 2HB GLN 21 1HB GLN 21 -29.618 4.711 -4.599 165 1HG GLN 21 2HG GLN 21 -30.907 4.922 -2.564 166 2HG GLN 21 1HG GLN 21 -29.356 4.150 -2.243 167 1HE2 GLN 21 2HE2 GLN 21 -28.051 6.915 -0.416 168 2HE2 GLN 21 1HE2 GLN 21 -27.606 5.677 -1.536 169 H CYS 22 H CYS 22 -28.218 3.236 -4.339 170 HA CYS 22 HA CYS 22 -26.996 2.132 -2.084 171 1HB CYS 22 2HB CYS 22 -28.574 1.052 -3.841 172 2HB CYS 22 1HB CYS 22 -27.089 0.674 -4.708 173 H ASN 23 H ASN 23 -25.688 2.819 -5.292 174 HA ASN 23 HA ASN 23 -23.246 1.531 -5.122 175 1HB ASN 23 2HB ASN 23 -24.338 2.915 -7.057 176 2HB ASN 23 1HB ASN 23 -23.422 4.252 -6.369 177 1HD2 ASN 23 2HD2 ASN 23 -20.948 3.242 -8.622 178 2HD2 ASN 23 1HD2 ASN 23 -22.211 4.372 -8.287 179 H TYR 24 H TYR 24 -23.625 5.038 -4.621 180 HA TYR 24 HA TYR 24 -21.171 5.490 -3.448 181 1HB TYR 24 2HB TYR 24 -22.049 7.550 -3.735 182 2HB TYR 24 1HB TYR 24 -23.691 6.929 -3.699 183 HD1 TYR 24 HD1 TYR 24 -20.993 7.133 -1.129 184 HD2 TYR 24 HD2 TYR 24 -24.967 8.163 -2.241 185 HE1 TYR 24 HE1 TYR 24 -21.328 8.177 1.067 186 HE2 TYR 24 HE2 TYR 24 -25.314 9.210 -0.044 187 HH TYR 24 HH TYR 24 -23.708 10.282 1.761 188 H ASP 25 H ASP 25 -24.226 4.615 -1.856 189 HA ASP 25 HA ASP 25 -23.435 4.783 0.780 190 1HB ASP 25 2HB ASP 25 -25.471 3.240 -0.706 191 2HB ASP 25 1HB ASP 25 -25.016 2.548 0.848 192 H CYS 26 H CYS 26 -23.397 1.740 -1.113 193 HA CYS 26 HA CYS 26 -21.869 0.287 0.704 194 1HB CYS 26 2HB CYS 26 -21.907 0.047 -2.317 195 2HB CYS 26 1HB CYS 26 -21.249 -1.155 -1.218 196 H LYS 27 H LYS 27 -20.947 2.591 -1.752 197 HA LYS 27 HA LYS 27 -18.196 2.085 -1.847 198 1HB LYS 27 2HB LYS 27 -19.765 3.621 -3.302 199 2HB LYS 27 1HB LYS 27 -19.266 4.862 -2.166 200 1HG LYS 27 2HG LYS 27 -17.251 5.087 -3.127 201 2HG LYS 27 1HG LYS 27 -17.001 3.347 -3.220 202 1HD LYS 27 2HD LYS 27 -18.295 3.217 -5.249 203 2HD LYS 27 1HD LYS 27 -18.736 4.921 -5.119 204 1HE LYS 27 2HE LYS 27 -16.456 5.594 -5.469 205 2HE LYS 27 1HE LYS 27 -15.909 3.919 -5.409 206 1HZ LYS 27 1HZ LYS 27 -17.912 4.190 -7.373 207 2HZ LYS 27 3HZ LYS 27 -16.717 5.359 -7.640 208 3HZ LYS 27 2HZ LYS 27 -16.298 3.722 -7.566 209 H LEU 28 H LEU 28 -19.843 2.841 0.858 210 HA LEU 28 HA LEU 28 -17.472 3.706 2.220 211 1HB LEU 28 2HB LEU 28 -18.661 5.772 1.088 212 2HB LEU 28 1HB LEU 28 -19.715 5.653 2.485 213 HG LEU 28 HG LEU 28 -17.316 5.588 3.729 214 1HD1 LEU 28 3HD1 LEU 28 -16.070 5.820 1.634 215 2HD1 LEU 28 2HD1 LEU 28 -16.893 7.348 1.320 216 3HD1 LEU 28 1HD1 LEU 28 -15.814 7.198 2.706 217 1HD2 LEU 28 1HD2 LEU 28 -18.782 8.077 2.860 218 2HD2 LEU 28 3HD2 LEU 28 -19.160 7.085 4.269 219 3HD2 LEU 28 2HD2 LEU 28 -17.635 7.969 4.196 220 H ASP 29 H ASP 29 -20.862 2.907 2.245 221 HA ASP 29 HA ASP 29 -21.202 2.937 5.069 222 1HB ASP 29 2HB ASP 29 -22.747 1.769 2.777 223 2HB ASP 29 1HB ASP 29 -23.167 1.331 4.430 224 H LYS 30 H LYS 30 -19.979 0.594 2.795 225 HA LYS 30 HA LYS 30 -19.235 -1.136 5.036 226 1HB LYS 30 2HB LYS 30 -20.893 -1.936 2.668 227 2HB LYS 30 1HB LYS 30 -19.829 -3.108 3.431 228 1HG LYS 30 2HG LYS 30 -20.981 -2.917 5.508 229 2HG LYS 30 1HG LYS 30 -21.931 -1.553 4.917 230 1HD LYS 30 2HD LYS 30 -22.076 -4.087 3.374 231 2HD LYS 30 1HD LYS 30 -22.872 -4.054 4.949 232 1HE LYS 30 2HE LYS 30 -24.151 -3.343 2.763 233 2HE LYS 30 1HE LYS 30 -24.418 -2.501 4.288 234 1HZ LYS 30 1HZ LYS 30 -22.357 -1.129 3.241 235 2HZ LYS 30 3HZ LYS 30 -23.217 -1.547 1.844 236 3HZ LYS 30 2HZ LYS 30 -23.981 -0.686 3.083 237 H HIS 31 H HIS 31 -17.615 0.654 3.635 238 HA HIS 31 HA HIS 31 -15.830 0.819 2.161 239 1HB HIS 31 2HB HIS 31 -14.816 -1.682 3.439 240 2HB HIS 31 1HB HIS 31 -13.994 -0.151 3.167 241 HD1 HIS 31 HD1 HIS 31 -14.945 -2.078 5.863 242 HD2 HIS 31 HD2 HIS 31 -15.594 1.916 4.922 243 HE1 HIS 31 HE1 HIS 31 -15.428 -0.943 8.052 244 HE2 HIS 31 HE2 HIS 31 -15.699 1.492 7.472 245 H ALA 32 H ALA 32 -17.828 -0.406 0.715 246 HA ALA 32 HA ALA 32 -16.725 -2.819 -0.476 247 1HB ALA 32 3HB ALA 32 -19.285 -2.042 -0.039 248 2HB ALA 32 2HB ALA 32 -19.089 -1.587 -1.731 249 3HB ALA 32 1HB ALA 32 -18.810 -3.255 -1.228 250 H ARG 33 H ARG 33 -17.095 -2.815 -3.024 251 HA ARG 33 HA ARG 33 -15.379 -0.674 -4.045 252 1HB ARG 33 2HB ARG 33 -14.653 -2.963 -4.496 253 2HB ARG 33 1HB ARG 33 -16.197 -3.327 -5.254 254 1HG ARG 33 2HG ARG 33 -15.730 -1.987 -7.117 255 2HG ARG 33 1HG ARG 33 -14.401 -1.163 -6.298 256 1HD ARG 33 2HD ARG 33 -14.471 -4.033 -7.219 257 2HD ARG 33 1HD ARG 33 -13.499 -2.727 -7.894 258 HE ARG 33 HE ARG 33 -12.809 -4.358 -5.708 259 1HH1 ARG 33 1HH2 ARG 33 -12.703 -1.026 -6.723 260 2HH1 ARG 33 2HH2 ARG 33 -11.314 -0.644 -5.761 261 1HH2 ARG 33 2HH1 ARG 33 -10.982 -3.861 -4.437 262 2HH2 ARG 33 1HH1 ARG 33 -10.340 -2.251 -4.459 263 H SER 34 H SER 34 -18.600 -1.797 -4.077 264 HA SER 34 HA SER 34 -19.674 0.445 -5.315 265 1HB SER 34 2HB SER 34 -20.496 -0.877 -7.443 266 2HB SER 34 1HB SER 34 -18.924 -0.077 -7.448 267 HG SER 34 HG SER 34 -17.993 -2.097 -6.896 268 H GLY 35 H GLY 35 -22.017 -0.292 -6.313 269 1HA GLY 35 2HA GLY 35 -23.146 -2.540 -4.909 270 2HA GLY 35 1HA GLY 35 -23.607 -0.989 -4.224 271 H GLU 36 H GLU 36 -25.548 -2.630 -5.142 272 HA GLU 36 HA GLU 36 -26.959 -1.007 -6.924 273 1HB GLU 36 2HB GLU 36 -25.153 -2.786 -8.224 274 2HB GLU 36 1HB GLU 36 -26.779 -3.375 -8.539 275 1HG GLU 36 2HG GLU 36 -25.690 -0.635 -9.137 276 2HG GLU 36 1HG GLU 36 -26.128 -1.892 -10.294 277 H CYS 37 H CYS 37 -29.087 -1.850 -7.418 278 HA CYS 37 HA CYS 37 -29.982 -3.657 -5.330 279 1HB CYS 37 2HB CYS 37 -31.092 -1.426 -6.768 280 2HB CYS 37 1HB CYS 37 -32.193 -2.796 -6.866 281 H PHE 38 H PHE 38 -29.804 -5.766 -5.791 282 HA PHE 38 HA PHE 38 -30.600 -6.702 -8.479 283 1HB PHE 38 2HB PHE 38 -28.677 -7.717 -6.433 284 2HB PHE 38 1HB PHE 38 -29.410 -8.861 -7.551 285 HD1 PHE 38 HD1 PHE 38 -27.156 -6.001 -7.213 286 HD2 PHE 38 HD2 PHE 38 -28.847 -8.839 -9.891 287 HE1 PHE 38 HE1 PHE 38 -25.481 -5.390 -8.906 288 HE2 PHE 38 HE2 PHE 38 -27.176 -8.233 -11.593 289 HZ PHE 38 HZ PHE 38 -25.489 -6.507 -11.100 290 H TYR 39 H TYR 39 -31.966 -8.538 -8.672 291 HA TYR 39 HA TYR 39 -33.961 -8.675 -6.601 292 1HB TYR 39 2HB TYR 39 -33.892 -10.383 -9.076 293 2HB TYR 39 1HB TYR 39 -35.290 -9.897 -8.126 294 HD1 TYR 39 HD1 TYR 39 -32.766 -8.735 -10.555 295 HD2 TYR 39 HD2 TYR 39 -36.384 -7.811 -8.513 296 HE1 TYR 39 HE1 TYR 39 -33.131 -6.833 -12.072 297 HE2 TYR 39 HE2 TYR 39 -36.759 -5.909 -10.027 298 HH TYR 39 HH TYR 39 -35.776 -5.453 -12.688 299 H ASP 40 H ASP 40 -34.915 -11.021 -6.254 300 HA ASP 40 HA ASP 40 -33.075 -13.179 -6.107 301 1HB ASP 40 2HB ASP 40 -33.060 -13.290 -3.567 302 2HB ASP 40 1HB ASP 40 -32.049 -12.040 -4.285 303 H GLU 41 H GLU 41 -34.630 -14.384 -6.976 304 HA GLU 41 HA GLU 41 -36.739 -15.291 -7.264 305 1HB GLU 41 2HB GLU 41 -35.141 -16.782 -5.890 306 2HB GLU 41 1HB GLU 41 -36.180 -16.387 -4.528 307 1HG GLU 41 2HG GLU 41 -38.029 -17.462 -5.483 308 2HG GLU 41 1HG GLU 41 -37.276 -17.520 -7.077 309 H LYS 42 H LYS 42 -37.032 -12.661 -6.071 310 HA LYS 42 HA LYS 42 -39.646 -13.074 -4.850 311 1HB LYS 42 2HB LYS 42 -37.342 -11.715 -3.508 312 2HB LYS 42 1HB LYS 42 -38.991 -11.200 -3.171 313 1HG LYS 42 2HG LYS 42 -39.571 -13.285 -2.262 314 2HG LYS 42 1HG LYS 42 -38.129 -14.059 -2.919 315 1HD LYS 42 2HD LYS 42 -38.088 -13.542 -0.448 316 2HD LYS 42 1HD LYS 42 -36.717 -12.960 -1.394 317 1HE LYS 42 2HE LYS 42 -37.582 -11.297 0.237 318 2HE LYS 42 1HE LYS 42 -37.607 -10.735 -1.434 319 1HZ LYS 42 1HZ LYS 42 -40.044 -12.035 -0.707 320 2HZ LYS 42 3HZ LYS 42 -39.714 -10.723 0.310 321 3HZ LYS 42 2HZ LYS 42 -39.803 -10.495 -1.363 322 H ARG 43 H ARG 43 -37.807 -11.596 -7.100 323 HA ARG 43 HA ARG 43 -38.101 -9.840 -8.514 324 1HB ARG 43 2HB ARG 43 -40.863 -9.724 -7.286 325 2HB ARG 43 1HB ARG 43 -40.367 -8.906 -8.756 326 1HG ARG 43 2HG ARG 43 -40.061 -11.867 -8.560 327 2HG ARG 43 1HG ARG 43 -41.654 -11.175 -8.866 328 1HD ARG 43 2HD ARG 43 -40.571 -9.891 -10.772 329 2HD ARG 43 1HD ARG 43 -39.164 -10.930 -10.541 330 HE ARG 43 HE ARG 43 -41.546 -12.454 -10.820 331 1HH1 ARG 43 1HH2 ARG 43 -39.180 -10.644 -12.633 332 2HH1 ARG 43 2HH2 ARG 43 -39.458 -11.518 -14.102 333 1HH2 ARG 43 2HH1 ARG 43 -41.912 -13.602 -12.747 334 2HH2 ARG 43 1HH1 ARG 43 -41.011 -13.194 -14.169 335 H ASN 44 H ASN 44 -37.885 -9.587 -5.296 336 HA ASN 44 HA ASN 44 -38.227 -6.694 -5.115 337 1HB ASN 44 2HB ASN 44 -37.249 -8.525 -2.925 338 2HB ASN 44 1HB ASN 44 -37.993 -6.937 -2.763 339 1HD2 ASN 44 2HD2 ASN 44 -41.097 -8.742 -4.115 340 2HD2 ASN 44 1HD2 ASN 44 -39.921 -7.790 -4.949 341 H LEU 45 H LEU 45 -36.571 -5.277 -5.112 342 HA LEU 45 HA LEU 45 -33.948 -6.309 -5.771 343 1HB LEU 45 2HB LEU 45 -33.924 -3.458 -5.563 344 2HB LEU 45 1HB LEU 45 -33.809 -4.451 -7.000 345 HG LEU 45 HG LEU 45 -36.456 -3.706 -5.776 346 1HD1 LEU 45 2HD1 LEU 45 -34.722 -2.178 -7.686 347 2HD1 LEU 45 1HD1 LEU 45 -36.476 -2.000 -7.681 348 3HD1 LEU 45 3HD1 LEU 45 -35.545 -1.605 -6.236 349 1HD2 LEU 45 1HD2 LEU 45 -36.429 -5.595 -7.341 350 2HD2 LEU 45 3HD2 LEU 45 -37.286 -4.205 -8.010 351 3HD2 LEU 45 2HD2 LEU 45 -35.648 -4.571 -8.547 352 H GLN 46 H GLN 46 -32.467 -6.731 -4.331 353 HA GLN 46 HA GLN 46 -32.508 -5.391 -1.722 354 1HB GLN 46 2HB GLN 46 -32.116 -8.080 -2.491 355 2HB GLN 46 1HB GLN 46 -30.548 -7.519 -1.929 356 1HG GLN 46 2HG GLN 46 -31.490 -6.870 0.190 357 2HG GLN 46 1HG GLN 46 -33.111 -7.282 -0.368 358 1HE2 GLN 46 2HE2 GLN 46 -32.513 -10.253 1.404 359 2HE2 GLN 46 1HE2 GLN 46 -33.253 -8.692 1.445 360 H CYS 47 H CYS 47 -30.747 -4.235 -0.969 361 HA CYS 47 HA CYS 47 -29.033 -3.101 -2.944 362 1HB CYS 47 2HB CYS 47 -29.814 -2.493 -0.260 363 2HB CYS 47 1HB CYS 47 -28.057 -2.461 -0.345 364 H ILE 48 H ILE 48 -27.701 -4.618 -3.832 365 HA ILE 48 HA ILE 48 -26.005 -6.241 -2.120 366 HB ILE 48 HB ILE 48 -26.292 -6.155 -5.117 367 1HG1 ILE 48 2HG1 ILE 48 -27.340 -7.923 -2.924 368 2HG1 ILE 48 1HG1 ILE 48 -28.222 -7.158 -4.238 369 1HG2 ILE 48 3HG2 ILE 48 -24.606 -7.991 -3.414 370 2HG2 ILE 48 2HG2 ILE 48 -24.884 -8.175 -5.145 371 3HG2 ILE 48 1HG2 ILE 48 -24.006 -6.776 -4.543 372 1HD1 ILE 48 3HD1 ILE 48 -26.786 -8.750 -5.730 373 2HD1 ILE 48 2HD1 ILE 48 -26.622 -9.663 -4.231 374 3HD1 ILE 48 1HD1 ILE 48 -28.223 -9.344 -4.899 375 H CYS 49 H CYS 49 -24.081 -5.584 -1.452 376 HA CYS 49 HA CYS 49 -22.781 -3.338 -2.801 377 1HB CYS 49 2HB CYS 49 -22.131 -4.758 -0.208 378 2HB CYS 49 1HB CYS 49 -21.243 -3.380 -0.838 379 H ASP 50 H ASP 50 -21.394 -3.802 -4.398 380 HA ASP 50 HA ASP 50 -20.151 -6.432 -4.521 381 1HB ASP 50 2HB ASP 50 -19.914 -4.185 -6.524 382 2HB ASP 50 1HB ASP 50 -19.583 -5.895 -6.785 383 H TYR 51 H TYR 51 -18.051 -6.864 -4.241 384 HA TYR 51 HA TYR 51 -16.308 -4.639 -3.405 385 1HB TYR 51 2HB TYR 51 -16.468 -7.525 -2.619 386 2HB TYR 51 1HB TYR 51 -14.998 -6.600 -2.340 387 HD1 TYR 51 HD2 TYR 51 -18.681 -6.147 -1.829 388 HD2 TYR 51 HD1 TYR 51 -14.764 -5.743 -0.220 389 HE1 TYR 51 HE2 TYR 51 -19.638 -5.285 0.265 390 HE2 TYR 51 HE1 TYR 51 -15.711 -4.882 1.881 391 HH TYR 51 HH TYR 51 -17.661 -4.731 3.096 392 H CYS 52 H CYS 52 -16.652 -7.192 -5.732 393 HA CYS 52 HA CYS 52 -14.067 -6.415 -6.888 394 1HB CYS 52 2HB CYS 52 -14.829 -9.307 -6.913 395 2HB CYS 52 1HB CYS 52 -13.240 -8.566 -7.063 396 H GLU 53 H GLU 53 -17.218 -7.925 -7.337 397 HA GLU 53 HA GLU 53 -18.296 -8.573 -9.278 398 1HB GLU 53 2HB GLU 53 -18.447 -6.456 -10.836 399 2HB GLU 53 1HB GLU 53 -19.223 -6.469 -9.262 400 1HG GLU 53 2HG GLU 53 -17.542 -5.114 -8.310 401 2HG GLU 53 1HG GLU 53 -16.477 -5.334 -9.695 402 H TYR 54 HN TYR 54 -16.376 -6.317 -11.090 403 HA TYR 54 HA TYR 54 -14.425 -8.099 -12.064 404 1HB TYR 54 2HB TYR 54 -17.009 -7.958 -13.519 405 2HB TYR 54 1HB TYR 54 -15.547 -7.914 -14.501 406 HD1 TYR 54 HD2 TYR 54 -13.820 -9.769 -14.110 407 HD2 TYR 54 HD1 TYR 54 -17.843 -9.990 -12.760 408 HE1 TYR 54 HE2 TYR 54 -13.620 -12.214 -13.954 409 HE2 TYR 54 HE1 TYR 54 -17.661 -12.442 -12.599 410 HH TYR 54 HH TYR 54 -14.640 -14.077 -12.867 No H/Q in entry = 410 Start of MODEL 26 1 HN PCA 1 HN PCA 1 -25.284 -15.789 -1.316 2 HA PCA 1 HA PCA 1 -23.181 -17.066 -1.987 3 1HB PCA 1 1HB PCA 1 -22.782 -17.161 -4.212 4 2HB PCA 1 2HB PCA 1 -22.510 -15.404 -4.257 5 1HG PCA 1 1HG PCA 1 -24.849 -16.887 -5.113 6 2HG PCA 1 2HG PCA 1 -24.576 -15.136 -5.190 7 H ASP 2 H ASP 2 -20.909 -15.899 -2.395 8 HA ASP 2 HA ASP 2 -20.938 -13.268 -1.074 9 1HB ASP 2 2HB ASP 2 -19.095 -15.563 -0.351 10 2HB ASP 2 1HB ASP 2 -19.064 -13.948 0.352 11 H LYS 3 H LYS 3 -17.843 -14.313 -1.122 12 HA LYS 3 HA LYS 3 -16.012 -13.824 -2.370 13 1HB LYS 3 2HB LYS 3 -18.013 -14.449 -4.526 14 2HB LYS 3 1HB LYS 3 -16.372 -13.962 -4.922 15 1HG LYS 3 2HG LYS 3 -15.447 -15.884 -4.017 16 2HG LYS 3 1HG LYS 3 -16.872 -16.225 -3.031 17 1HD LYS 3 2HD LYS 3 -16.820 -16.341 -6.047 18 2HD LYS 3 1HD LYS 3 -16.597 -17.740 -4.996 19 1HE LYS 3 2HE LYS 3 -18.880 -16.792 -3.964 20 2HE LYS 3 1HE LYS 3 -19.050 -16.198 -5.616 21 1HZ LYS 3 1HZ LYS 3 -18.178 -18.906 -5.571 22 2HZ LYS 3 3HZ LYS 3 -19.625 -18.725 -4.714 23 3HZ LYS 3 2HZ LYS 3 -19.530 -18.230 -6.328 24 H CYS 4 H CYS 4 -16.062 -11.677 -1.486 25 HA CYS 4 HA CYS 4 -15.773 -9.440 -1.680 26 1HB CYS 4 2HB CYS 4 -15.361 -10.455 -4.342 27 2HB CYS 4 1HB CYS 4 -16.110 -8.865 -4.429 28 H LYS 5 H LYS 5 -18.526 -10.768 -3.462 29 HA LYS 5 HA LYS 5 -19.953 -8.239 -3.145 30 1HB LYS 5 2HB LYS 5 -21.648 -9.202 -4.593 31 2HB LYS 5 1HB LYS 5 -20.053 -9.276 -5.326 32 1HG LYS 5 2HG LYS 5 -19.885 -11.587 -4.990 33 2HG LYS 5 1HG LYS 5 -21.247 -11.605 -3.865 34 1HD LYS 5 2HD LYS 5 -22.745 -10.953 -5.667 35 2HD LYS 5 1HD LYS 5 -21.386 -10.934 -6.789 36 1HE LYS 5 2HE LYS 5 -22.562 -13.308 -5.358 37 2HE LYS 5 1HE LYS 5 -22.526 -13.006 -7.094 38 1HZ LYS 5 2HZ LYS 5 -19.976 -12.998 -6.719 39 2HZ LYS 5 1HZ LYS 5 -20.349 -13.865 -5.317 40 3HZ LYS 5 3HZ LYS 5 -20.800 -14.470 -6.832 41 H LYS 6 H LYS 6 -21.536 -7.878 -1.744 42 HA LYS 6 HA LYS 6 -22.869 -10.111 -0.429 43 1HB LYS 6 2HB LYS 6 -21.627 -7.918 1.227 44 2HB LYS 6 1HB LYS 6 -22.392 -9.395 1.794 45 1HG LYS 6 2HG LYS 6 -20.573 -10.723 0.975 46 2HG LYS 6 1HG LYS 6 -19.844 -9.317 0.194 47 1HD LYS 6 2HD LYS 6 -19.531 -8.268 2.382 48 2HD LYS 6 1HD LYS 6 -20.246 -9.680 3.161 49 1HE LYS 6 2HE LYS 6 -18.401 -10.979 2.806 50 2HE LYS 6 1HE LYS 6 -17.952 -10.129 1.328 51 1HZ LYS 6 2HZ LYS 6 -17.763 -8.757 3.927 52 2HZ LYS 6 1HZ LYS 6 -16.538 -9.819 3.444 53 3HZ LYS 6 3HZ LYS 6 -16.905 -8.464 2.499 54 H VAL 7 H VAL 7 -24.957 -9.694 0.019 55 HA VAL 7 HA VAL 7 -26.173 -7.379 -1.030 56 HB VAL 7 HB VAL 7 -28.190 -8.351 -0.593 57 1HG1 VAL 7 3HG1 VAL 7 -26.536 -10.001 -1.632 58 2HG1 VAL 7 2HG1 VAL 7 -26.581 -10.817 -0.067 59 3HG1 VAL 7 1HG1 VAL 7 -28.060 -10.634 -1.010 60 1HG2 VAL 7 3HG2 VAL 7 -27.003 -9.245 2.012 61 2HG2 VAL 7 2HG2 VAL 7 -28.403 -8.212 1.723 62 3HG2 VAL 7 1HG2 VAL 7 -28.506 -9.944 1.408 63 H TYR 8 H TYR 8 -27.416 -5.775 0.059 64 HA TYR 8 HA TYR 8 -26.178 -4.932 2.568 65 1HB TYR 8 2HB TYR 8 -26.617 -3.442 0.439 66 2HB TYR 8 1HB TYR 8 -28.240 -3.313 1.110 67 HD1 TYR 8 HD2 TYR 8 -27.989 -2.968 3.884 68 HD2 TYR 8 HD1 TYR 8 -25.360 -1.561 0.857 69 HE1 TYR 8 HE2 TYR 8 -27.234 -1.180 5.389 70 HE2 TYR 8 HE1 TYR 8 -24.588 0.233 2.356 71 HH TYR 8 HH TYR 8 -26.047 0.716 5.544 72 H GLU 9 H GLU 9 -27.191 -6.486 3.912 73 HA GLU 9 HA GLU 9 -29.925 -6.993 4.017 74 1HB GLU 9 2HB GLU 9 -29.237 -7.424 6.596 75 2HB GLU 9 1HB GLU 9 -28.880 -8.551 5.297 76 1HG GLU 9 2HG GLU 9 -26.844 -6.472 5.706 77 2HG GLU 9 1HG GLU 9 -27.045 -7.590 7.052 78 H ASN 10 H ASN 10 -31.282 -6.477 6.050 79 HA ASN 10 HA ASN 10 -32.702 -4.625 6.527 80 1HB ASN 10 2HB ASN 10 -31.594 -3.695 8.727 81 2HB ASN 10 1HB ASN 10 -32.153 -5.362 8.642 82 1HD2 ASN 10 2HD2 ASN 10 -28.147 -5.018 8.008 83 2HD2 ASN 10 1HD2 ASN 10 -29.283 -4.129 7.058 84 H TYR 11 H TYR 11 -32.843 -2.954 5.143 85 HA TYR 11 HA TYR 11 -31.719 -0.481 5.715 86 1HB TYR 11 2HB TYR 11 -29.590 -0.935 5.006 87 2HB TYR 11 1HB TYR 11 -30.116 -2.210 3.918 88 HD1 TYR 11 HD2 TYR 11 -30.830 -1.680 1.629 89 HD2 TYR 11 HD1 TYR 11 -29.396 1.347 4.256 90 HE1 TYR 11 HE2 TYR 11 -30.531 -0.167 -0.284 91 HE2 TYR 11 HE1 TYR 11 -29.083 2.862 2.345 92 HH TYR 11 HH TYR 11 -28.738 2.160 -0.521 93 HA PRO 12 HA PRO 12 -35.182 0.932 3.315 94 1HB PRO 12 2HB PRO 12 -33.065 2.607 2.006 95 2HB PRO 12 1HB PRO 12 -34.687 3.067 2.535 96 1HG PRO 12 2HG PRO 12 -32.498 3.602 4.011 97 2HG PRO 12 1HG PRO 12 -34.071 3.235 4.741 98 1HD PRO 12 2HD PRO 12 -31.616 1.631 4.726 99 2HD PRO 12 1HD PRO 12 -33.064 1.454 5.733 100 H VAL 13 H VAL 13 -35.168 -1.225 2.273 101 HA VAL 13 HA VAL 13 -33.747 -1.823 -0.063 102 HB VAL 13 HB VAL 13 -35.196 -3.365 1.421 103 1HG1 VAL 13 2HG1 VAL 13 -37.251 -1.852 0.780 104 2HG1 VAL 13 1HG1 VAL 13 -37.330 -2.932 -0.612 105 3HG1 VAL 13 3HG1 VAL 13 -37.441 -3.589 1.021 106 1HG2 VAL 13 3HG2 VAL 13 -34.870 -3.494 -1.545 107 2HG2 VAL 13 2HG2 VAL 13 -34.068 -4.430 -0.284 108 3HG2 VAL 13 1HG2 VAL 13 -35.747 -4.772 -0.702 109 H SER 14 H SER 14 -36.557 0.142 0.461 110 HA SER 14 HA SER 14 -37.641 0.122 -2.126 111 1HB SER 14 2HB SER 14 -39.083 1.716 -1.353 112 2HB SER 14 1HB SER 14 -38.434 1.199 0.205 113 HG SER 14 HG SER 14 -38.158 3.339 0.259 114 H LYS 15 H LYS 15 -35.244 2.290 -0.640 115 HA LYS 15 HA LYS 15 -34.960 3.954 -2.902 116 1HB LYS 15 2HB LYS 15 -33.840 3.779 -0.280 117 2HB LYS 15 1HB LYS 15 -32.508 3.913 -1.418 118 1HG LYS 15 2HG LYS 15 -32.973 6.113 -0.897 119 2HG LYS 15 1HG LYS 15 -33.840 5.879 -2.416 120 1HD LYS 15 2HD LYS 15 -35.535 6.838 -1.242 121 2HD LYS 15 1HD LYS 15 -35.782 5.178 -0.699 122 1HE LYS 15 2HE LYS 15 -34.339 7.397 0.739 123 2HE LYS 15 1HE LYS 15 -35.824 6.581 1.229 124 1HZ LYS 15 2HZ LYS 15 -33.228 5.178 0.956 125 2HZ LYS 15 1HZ LYS 15 -33.754 5.863 2.410 126 3HZ LYS 15 3HZ LYS 15 -34.638 4.611 1.695 127 H CYS 16 H CYS 16 -34.846 2.478 -4.651 128 HA CYS 16 HA CYS 16 -32.233 1.964 -5.552 129 1HB CYS 16 2HB CYS 16 -33.270 -0.075 -3.886 130 2HB CYS 16 1HB CYS 16 -33.301 -0.712 -5.526 131 H GLN 17 H GLN 17 -32.881 2.953 -7.403 132 HA GLN 17 HA GLN 17 -34.867 1.521 -9.052 133 1HB GLN 17 2HB GLN 17 -34.450 4.428 -8.556 134 2HB GLN 17 1HB GLN 17 -34.897 3.950 -10.188 135 1HG GLN 17 2HG GLN 17 -36.470 2.944 -7.861 136 2HG GLN 17 1HG GLN 17 -36.734 4.576 -8.472 137 1HE2 GLN 17 2HE2 GLN 17 -37.222 2.037 -11.542 138 2HE2 GLN 17 1HE2 GLN 17 -35.693 2.338 -10.796 139 H LEU 18 H LEU 18 -31.809 3.187 -8.882 140 HA LEU 18 HA LEU 18 -30.701 1.681 -11.031 141 1HB LEU 18 2HB LEU 18 -31.700 4.413 -11.513 142 2HB LEU 18 1HB LEU 18 -30.056 4.140 -12.057 143 HG LEU 18 HG LEU 18 -32.483 2.573 -12.900 144 1HD1 LEU 18 3HD1 LEU 18 -32.322 4.871 -13.805 145 2HD1 LEU 18 2HD1 LEU 18 -30.750 4.454 -14.487 146 3HD1 LEU 18 1HD1 LEU 18 -32.201 3.619 -15.042 147 1HD2 LEU 18 1HD2 LEU 18 -29.577 2.113 -13.237 148 2HD2 LEU 18 3HD2 LEU 18 -30.910 0.960 -13.177 149 3HD2 LEU 18 2HD2 LEU 18 -30.591 1.860 -14.658 150 H ALA 19 H ALA 19 -28.460 2.961 -11.619 151 HA ALA 19 HA ALA 19 -26.807 2.649 -9.417 152 1HB ALA 19 2HB ALA 19 -26.360 4.307 -11.893 153 2HB ALA 19 1HB ALA 19 -25.105 3.859 -10.738 154 3HB ALA 19 3HB ALA 19 -25.937 2.610 -11.665 155 H ASN 20 H ASN 20 -25.250 4.504 -8.756 156 HA ASN 20 HA ASN 20 -24.909 6.663 -7.993 157 1HB ASN 20 2HB ASN 20 -26.986 7.338 -9.386 158 2HB ASN 20 1HB ASN 20 -27.860 7.195 -7.866 159 1HD2 ASN 20 2HD2 ASN 20 -25.928 9.862 -6.339 160 2HD2 ASN 20 1HD2 ASN 20 -26.370 8.225 -6.006 161 H GLN 21 H GLN 21 -28.092 6.155 -6.528 162 HA GLN 21 HA GLN 21 -27.292 6.585 -3.934 163 1HB GLN 21 2HB GLN 21 -29.654 6.393 -4.832 164 2HB GLN 21 1HB GLN 21 -29.479 4.651 -4.680 165 1HG GLN 21 2HG GLN 21 -30.646 5.584 -2.771 166 2HG GLN 21 1HG GLN 21 -29.104 4.880 -2.289 167 1HE2 GLN 21 2HE2 GLN 21 -28.578 7.784 -0.459 168 2HE2 GLN 21 1HE2 GLN 21 -28.862 6.079 -0.451 169 H CYS 22 H CYS 22 -28.140 3.319 -5.089 170 HA CYS 22 HA CYS 22 -27.008 1.929 -2.981 171 1HB CYS 22 2HB CYS 22 -28.514 1.090 -4.899 172 2HB CYS 22 1HB CYS 22 -27.015 0.837 -5.785 173 H ASN 23 H ASN 23 -25.527 2.831 -6.075 174 HA ASN 23 HA ASN 23 -23.091 1.532 -5.779 175 1HB ASN 23 2HB ASN 23 -24.025 2.828 -7.800 176 2HB ASN 23 1HB ASN 23 -23.330 4.258 -7.041 177 1HD2 ASN 23 2HD2 ASN 23 -20.015 3.464 -7.795 178 2HD2 ASN 23 1HD2 ASN 23 -21.084 4.418 -6.829 179 H TYR 24 H TYR 24 -23.579 5.029 -5.218 180 HA TYR 24 HA TYR 24 -21.189 5.538 -3.946 181 1HB TYR 24 2HB TYR 24 -22.146 7.566 -4.199 182 2HB TYR 24 1HB TYR 24 -23.761 6.881 -4.208 183 HD1 TYR 24 HD1 TYR 24 -21.109 7.134 -1.589 184 HD2 TYR 24 HD2 TYR 24 -25.112 8.009 -2.731 185 HE1 TYR 24 HE1 TYR 24 -21.525 8.096 0.631 186 HE2 TYR 24 HE2 TYR 24 -25.540 8.976 -0.515 187 HH TYR 24 HH TYR 24 -23.357 8.606 2.108 188 H ASP 25 H ASP 25 -24.262 4.549 -2.440 189 HA ASP 25 HA ASP 25 -23.464 4.621 0.220 190 1HB ASP 25 2HB ASP 25 -25.424 2.887 -1.268 191 2HB ASP 25 1HB ASP 25 -25.130 2.637 0.452 192 H CYS 26 H CYS 26 -23.197 1.885 -2.074 193 HA CYS 26 HA CYS 26 -21.887 0.172 -0.287 194 1HB CYS 26 2HB CYS 26 -21.677 0.356 -3.302 195 2HB CYS 26 1HB CYS 26 -20.966 -0.940 -2.348 196 H LYS 27 H LYS 27 -20.701 2.684 -2.454 197 HA LYS 27 HA LYS 27 -17.945 2.316 -2.097 198 1HB LYS 27 2HB LYS 27 -19.359 3.979 -3.622 199 2HB LYS 27 1HB LYS 27 -19.059 5.084 -2.289 200 1HG LYS 27 2HG LYS 27 -17.283 5.548 -3.651 201 2HG LYS 27 1HG LYS 27 -16.579 4.320 -2.600 202 1HD LYS 27 2HD LYS 27 -16.902 2.624 -4.264 203 2HD LYS 27 1HD LYS 27 -17.816 3.734 -5.286 204 1HE LYS 27 2HE LYS 27 -15.287 3.251 -5.769 205 2HE LYS 27 1HE LYS 27 -15.945 4.878 -5.957 206 1HZ LYS 27 3HZ LYS 27 -14.686 3.975 -3.438 207 2HZ LYS 27 2HZ LYS 27 -13.784 4.660 -4.694 208 3HZ LYS 27 1HZ LYS 27 -15.004 5.559 -3.941 209 H LEU 28 H LEU 28 -20.209 2.758 0.158 210 HA LEU 28 HA LEU 28 -18.364 3.384 2.250 211 1HB LEU 28 2HB LEU 28 -19.265 5.623 1.137 212 2HB LEU 28 1HB LEU 28 -20.688 5.274 2.100 213 HG LEU 28 HG LEU 28 -19.200 5.203 4.125 214 1HD1 LEU 28 1HD1 LEU 28 -17.192 5.953 2.050 215 2HD1 LEU 28 3HD1 LEU 28 -17.031 6.586 3.688 216 3HD1 LEU 28 2HD1 LEU 28 -17.043 4.845 3.413 217 1HD2 LEU 28 1HD2 LEU 28 -19.325 7.765 2.540 218 2HD2 LEU 28 3HD2 LEU 28 -20.549 7.151 3.652 219 3HD2 LEU 28 2HD2 LEU 28 -18.974 7.656 4.265 220 H ASP 29 H ASP 29 -20.892 4.399 3.744 221 HA ASP 29 HA ASP 29 -22.482 3.484 5.111 222 1HB ASP 29 2HB ASP 29 -22.746 1.898 2.626 223 2HB ASP 29 1HB ASP 29 -23.301 1.069 4.074 224 H LYS 30 H LYS 30 -20.396 1.149 3.607 225 HA LYS 30 HA LYS 30 -19.445 0.196 6.205 226 1HB LYS 30 2HB LYS 30 -20.262 -1.367 3.762 227 2HB LYS 30 1HB LYS 30 -18.960 -1.972 4.775 228 1HG LYS 30 2HG LYS 30 -20.616 -3.034 5.869 229 2HG LYS 30 1HG LYS 30 -20.864 -1.477 6.647 230 1HD LYS 30 2HD LYS 30 -23.000 -2.109 5.935 231 2HD LYS 30 1HD LYS 30 -22.457 -0.953 4.720 232 1HE LYS 30 2HE LYS 30 -21.905 -3.837 4.232 233 2HE LYS 30 1HE LYS 30 -23.567 -3.279 4.067 234 1HZ LYS 30 3HZ LYS 30 -21.757 -1.513 2.767 235 2HZ LYS 30 2HZ LYS 30 -21.577 -3.092 2.187 236 3HZ LYS 30 1HZ LYS 30 -23.091 -2.339 2.134 237 H HIS 31 H HIS 31 -18.470 -0.675 2.943 238 HA HIS 31 HA HIS 31 -16.602 1.204 2.329 239 1HB HIS 31 2HB HIS 31 -14.493 -0.232 3.144 240 2HB HIS 31 1HB HIS 31 -15.217 1.024 4.139 241 HD1 HIS 31 HD1 HIS 31 -15.307 -2.744 3.730 242 HD2 HIS 31 HD2 HIS 31 -16.161 0.192 6.534 243 HE1 HIS 31 HE1 HIS 31 -15.858 -3.980 5.849 244 HE2 HIS 31 HE2 HIS 31 -16.419 -2.187 7.523 245 H ALA 32 H ALA 32 -18.119 -0.247 0.731 246 HA ALA 32 HA ALA 32 -16.610 -2.495 -0.339 247 1HB ALA 32 1HB ALA 32 -19.348 -1.416 -0.712 248 2HB ALA 32 3HB ALA 32 -18.637 -2.297 -2.063 249 3HB ALA 32 2HB ALA 32 -18.807 -3.078 -0.491 250 H ARG 33 H ARG 33 -16.720 -2.479 -2.934 251 HA ARG 33 HA ARG 33 -15.155 -0.142 -3.724 252 1HB ARG 33 2HB ARG 33 -14.439 -2.587 -4.066 253 2HB ARG 33 1HB ARG 33 -15.626 -2.622 -5.360 254 1HG ARG 33 2HG ARG 33 -13.970 -1.921 -6.692 255 2HG ARG 33 1HG ARG 33 -14.191 -0.347 -5.925 256 1HD ARG 33 2HD ARG 33 -12.263 -2.497 -5.059 257 2HD ARG 33 1HD ARG 33 -11.845 -1.010 -5.908 258 HE ARG 33 HE ARG 33 -12.825 0.117 -3.840 259 1HH1 ARG 33 1HH2 ARG 33 -11.209 -2.976 -3.777 260 2HH1 ARG 33 2HH2 ARG 33 -10.685 -2.808 -2.136 261 1HH2 ARG 33 2HH1 ARG 33 -12.136 0.337 -1.681 262 2HH2 ARG 33 1HH1 ARG 33 -11.212 -0.930 -0.946 263 H SER 34 H SER 34 -18.103 -1.851 -4.459 264 HA SER 34 HA SER 34 -19.278 0.419 -5.707 265 1HB SER 34 2HB SER 34 -19.716 -0.786 -7.911 266 2HB SER 34 1HB SER 34 -18.070 -0.199 -7.669 267 HG SER 34 HG SER 34 -18.860 -2.839 -7.027 268 H GLY 35 H GLY 35 -21.300 -0.944 -7.162 269 1HA GLY 35 2HA GLY 35 -22.387 -3.143 -5.818 270 2HA GLY 35 1HA GLY 35 -22.996 -1.695 -5.037 271 H GLU 36 H GLU 36 -25.028 -2.745 -5.763 272 HA GLU 36 HA GLU 36 -26.180 -1.320 -7.876 273 1HB GLU 36 2HB GLU 36 -24.764 -3.605 -8.752 274 2HB GLU 36 1HB GLU 36 -26.464 -4.037 -8.845 275 1HG GLU 36 2HG GLU 36 -25.356 -1.511 -10.034 276 2HG GLU 36 1HG GLU 36 -25.438 -3.035 -10.916 277 H CYS 37 H CYS 37 -28.203 -3.258 -8.578 278 HA CYS 37 HA CYS 37 -29.283 -4.169 -6.050 279 1HB CYS 37 2HB CYS 37 -30.026 -1.647 -7.081 280 2HB CYS 37 1HB CYS 37 -31.406 -2.711 -7.331 281 H PHE 38 H PHE 38 -30.830 -5.764 -6.213 282 HA PHE 38 HA PHE 38 -31.763 -6.535 -8.878 283 1HB PHE 38 2HB PHE 38 -30.039 -8.241 -7.093 284 2HB PHE 38 1HB PHE 38 -31.108 -8.951 -8.298 285 HD1 PHE 38 HD1 PHE 38 -28.221 -6.699 -7.831 286 HD2 PHE 38 HD2 PHE 38 -30.513 -9.008 -10.572 287 HE1 PHE 38 HE1 PHE 38 -26.489 -6.373 -9.547 288 HE2 PHE 38 HE2 PHE 38 -28.785 -8.686 -12.294 289 HZ PHE 38 HZ PHE 38 -26.770 -7.368 -11.781 290 H TYR 39 H TYR 39 -33.458 -8.183 -8.816 291 HA TYR 39 HA TYR 39 -35.205 -7.755 -6.549 292 1HB TYR 39 2HB TYR 39 -35.502 -8.684 -9.329 293 2HB TYR 39 1HB TYR 39 -36.578 -9.469 -8.177 294 HD1 TYR 39 HD1 TYR 39 -35.416 -6.054 -9.157 295 HD2 TYR 39 HD2 TYR 39 -38.594 -8.463 -7.681 296 HE1 TYR 39 HE1 TYR 39 -36.920 -4.108 -9.231 297 HE2 TYR 39 HE2 TYR 39 -40.107 -6.529 -7.755 298 HH TYR 39 HH TYR 39 -38.945 -3.325 -8.746 299 H ASP 40 H ASP 40 -36.546 -9.790 -5.877 300 HA ASP 40 HA ASP 40 -34.999 -12.235 -5.761 301 1HB ASP 40 2HB ASP 40 -35.021 -12.298 -3.269 302 2HB ASP 40 1HB ASP 40 -33.986 -11.035 -3.928 303 H GLU 41 H GLU 41 -36.259 -13.604 -3.820 304 HA GLU 41 HA GLU 41 -38.702 -14.287 -5.011 305 1HB GLU 41 2HB GLU 41 -37.025 -15.352 -3.017 306 2HB GLU 41 1HB GLU 41 -38.584 -15.137 -2.236 307 1HG GLU 41 2HG GLU 41 -38.184 -16.594 -4.838 308 2HG GLU 41 1HG GLU 41 -38.236 -17.371 -3.257 309 H LYS 42 H LYS 42 -37.923 -11.737 -2.956 310 HA LYS 42 HA LYS 42 -40.619 -11.500 -1.851 311 1HB LYS 42 2HB LYS 42 -38.609 -11.114 -0.419 312 2HB LYS 42 1HB LYS 42 -38.221 -9.714 -1.410 313 1HG LYS 42 2HG LYS 42 -39.697 -8.415 -0.332 314 2HG LYS 42 1HG LYS 42 -40.964 -9.637 -0.437 315 1HD LYS 42 2HD LYS 42 -38.714 -9.905 1.531 316 2HD LYS 42 1HD LYS 42 -40.133 -8.920 1.894 317 1HE LYS 42 2HE LYS 42 -40.445 -11.734 0.926 318 2HE LYS 42 1HE LYS 42 -40.087 -11.412 2.621 319 1HZ LYS 42 2HZ LYS 42 -42.073 -9.807 2.448 320 2HZ LYS 42 1HZ LYS 42 -42.486 -10.693 1.069 321 3HZ LYS 42 3HZ LYS 42 -42.380 -11.465 2.572 322 H ARG 43 H ARG 43 -39.971 -11.158 -4.719 323 HA ARG 43 HA ARG 43 -40.106 -9.577 -6.416 324 1HB ARG 43 2HB ARG 43 -42.624 -8.570 -6.027 325 2HB ARG 43 1HB ARG 43 -42.273 -10.154 -6.694 326 1HG ARG 43 2HG ARG 43 -42.679 -9.685 -3.755 327 2HG ARG 43 1HG ARG 43 -43.993 -10.074 -4.864 328 1HD ARG 43 2HD ARG 43 -41.727 -11.894 -5.140 329 2HD ARG 43 1HD ARG 43 -42.412 -11.904 -3.516 330 HE ARG 43 HE ARG 43 -44.266 -12.161 -5.747 331 1HH1 ARG 43 1HH2 ARG 43 -42.466 -13.674 -3.179 332 2HH1 ARG 43 2HH2 ARG 43 -43.416 -15.123 -3.189 333 1HH2 ARG 43 2HH1 ARG 43 -45.521 -14.067 -5.774 334 2HH2 ARG 43 1HH1 ARG 43 -45.151 -15.349 -4.672 335 H ASN 44 H ASN 44 -38.440 -8.323 -4.861 336 HA ASN 44 HA ASN 44 -39.390 -5.560 -4.890 337 1HB ASN 44 2HB ASN 44 -38.164 -6.934 -2.499 338 2HB ASN 44 1HB ASN 44 -38.159 -5.184 -2.684 339 1HD2 ASN 44 2HD2 ASN 44 -41.065 -5.922 -0.641 340 2HD2 ASN 44 1HD2 ASN 44 -39.343 -5.973 -0.517 341 H LEU 45 H LEU 45 -36.594 -5.479 -3.238 342 HA LEU 45 HA LEU 45 -34.791 -5.823 -5.489 343 1HB LEU 45 2HB LEU 45 -35.581 -3.190 -4.346 344 2HB LEU 45 1HB LEU 45 -33.913 -3.406 -4.838 345 HG LEU 45 HG LEU 45 -35.888 -4.243 -6.863 346 1HD1 LEU 45 3HD1 LEU 45 -35.726 -1.388 -5.940 347 2HD1 LEU 45 2HD1 LEU 45 -36.227 -1.835 -7.571 348 3HD1 LEU 45 1HD1 LEU 45 -37.162 -2.383 -6.179 349 1HD2 LEU 45 2HD2 LEU 45 -33.348 -4.030 -7.074 350 2HD2 LEU 45 1HD2 LEU 45 -34.339 -3.364 -8.373 351 3HD2 LEU 45 3HD2 LEU 45 -33.635 -2.291 -7.164 352 H GLN 46 H GLN 46 -32.504 -5.507 -4.849 353 HA GLN 46 HA GLN 46 -31.967 -5.569 -1.990 354 1HB GLN 46 2HB GLN 46 -31.515 -7.894 -3.834 355 2HB GLN 46 1HB GLN 46 -30.480 -7.654 -2.433 356 1HG GLN 46 2HG GLN 46 -32.380 -7.800 -0.954 357 2HG GLN 46 1HG GLN 46 -33.476 -7.919 -2.329 358 1HE2 GLN 46 2HE2 GLN 46 -31.833 -11.190 -3.145 359 2HE2 GLN 46 1HE2 GLN 46 -31.801 -9.629 -3.884 360 H CYS 47 H CYS 47 -30.423 -4.132 -1.736 361 HA CYS 47 HA CYS 47 -28.738 -3.218 -3.821 362 1HB CYS 47 2HB CYS 47 -29.364 -2.494 -1.102 363 2HB CYS 47 1HB CYS 47 -27.626 -2.420 -1.341 364 H ILE 48 H ILE 48 -27.298 -4.608 -4.688 365 HA ILE 48 HA ILE 48 -25.721 -6.365 -2.984 366 HB ILE 48 HB ILE 48 -25.764 -6.049 -5.984 367 1HG1 ILE 48 2HG1 ILE 48 -27.762 -7.093 -4.734 368 2HG1 ILE 48 1HG1 ILE 48 -27.062 -8.000 -6.071 369 1HG2 ILE 48 2HG2 ILE 48 -24.069 -7.701 -4.171 370 2HG2 ILE 48 1HG2 ILE 48 -24.528 -8.341 -5.749 371 3HG2 ILE 48 3HG2 ILE 48 -23.629 -6.828 -5.639 372 1HD1 ILE 48 1HD1 ILE 48 -25.903 -8.595 -3.448 373 2HD1 ILE 48 3HD1 ILE 48 -27.604 -9.025 -3.632 374 3HD1 ILE 48 2HD1 ILE 48 -26.403 -9.676 -4.749 375 H CYS 49 H CYS 49 -23.908 -5.610 -2.065 376 HA CYS 49 HA CYS 49 -22.465 -3.417 -3.379 377 1HB CYS 49 2HB CYS 49 -22.397 -4.518 -0.574 378 2HB CYS 49 1HB CYS 49 -21.192 -3.381 -1.163 379 H ASP 50 H ASP 50 -20.780 -3.850 -4.585 380 HA ASP 50 HA ASP 50 -19.404 -6.418 -4.314 381 1HB ASP 50 2HB ASP 50 -18.710 -4.546 -6.514 382 2HB ASP 50 1HB ASP 50 -18.920 -6.295 -6.543 383 H TYR 51 H TYR 51 -17.427 -6.621 -3.544 384 HA TYR 51 HA TYR 51 -16.012 -4.213 -2.682 385 1HB TYR 51 2HB TYR 51 -15.780 -7.132 -2.002 386 2HB TYR 51 1HB TYR 51 -14.566 -5.967 -1.492 387 HD1 TYR 51 HD1 TYR 51 -18.317 -5.885 -1.551 388 HD2 TYR 51 HD2 TYR 51 -14.762 -5.579 0.767 389 HE1 TYR 51 HE1 TYR 51 -19.666 -5.375 0.431 390 HE2 TYR 51 HE2 TYR 51 -16.105 -5.062 2.761 391 HH TYR 51 HH TYR 51 -18.424 -4.068 3.215 392 H CYS 52 H CYS 52 -15.846 -6.709 -5.051 393 HA CYS 52 HA CYS 52 -13.032 -6.151 -5.638 394 1HB CYS 52 2HB CYS 52 -14.948 -8.315 -6.436 395 2HB CYS 52 1HB CYS 52 -13.512 -8.013 -7.409 396 H GLU 53 H GLU 53 -15.692 -6.885 -7.860 397 HA GLU 53 HA GLU 53 -16.367 -5.914 -9.802 398 1HB GLU 53 2HB GLU 53 -17.094 -4.088 -8.397 399 2HB GLU 53 1HB GLU 53 -15.467 -3.425 -8.343 400 1HG GLU 53 2HG GLU 53 -15.555 -2.828 -10.649 401 2HG GLU 53 1HG GLU 53 -17.076 -3.690 -10.868 402 H TYR 54 HN TYR 54 -13.686 -3.698 -9.104 403 HA TYR 54 HA TYR 54 -12.633 -4.018 -11.750 404 1HB TYR 54 2HB TYR 54 -11.818 -2.451 -9.323 405 2HB TYR 54 1HB TYR 54 -10.722 -2.592 -10.693 406 HD1 TYR 54 HD1 TYR 54 -11.273 -1.554 -12.837 407 HD2 TYR 54 HD2 TYR 54 -13.845 -1.143 -9.474 408 HE1 TYR 54 HE1 TYR 54 -12.440 0.292 -13.964 409 HE2 TYR 54 HE2 TYR 54 -15.020 0.705 -10.592 410 HH TYR 54 HH TYR 54 -15.192 1.936 -12.429 No H/Q in entry = 410 Start of MODEL 27 1 HN PCA 1 HN PCA 1 -10.014 -13.732 -1.345 2 HA PCA 1 HA PCA 1 -9.752 -14.937 0.880 3 1HB PCA 1 1HB PCA 1 -9.759 -13.588 2.694 4 2HB PCA 1 2HB PCA 1 -11.480 -13.226 2.427 5 1HG PCA 1 1HG PCA 1 -9.196 -11.542 1.883 6 2HG PCA 1 2HG PCA 1 -10.907 -11.182 1.583 7 H ASP 2 H ASP 2 -12.551 -13.120 -0.298 8 HA ASP 2 HA ASP 2 -14.150 -15.594 -0.149 9 1HB ASP 2 2HB ASP 2 -16.067 -14.407 0.613 10 2HB ASP 2 1HB ASP 2 -14.736 -13.908 1.652 11 H LYS 3 H LYS 3 -16.435 -14.764 -1.362 12 HA LYS 3 HA LYS 3 -15.878 -14.931 -4.061 13 1HB LYS 3 2HB LYS 3 -18.274 -13.962 -2.541 14 2HB LYS 3 1HB LYS 3 -18.242 -13.856 -4.296 15 1HG LYS 3 2HG LYS 3 -17.717 -16.330 -4.307 16 2HG LYS 3 1HG LYS 3 -18.114 -16.322 -2.587 17 1HD LYS 3 2HD LYS 3 -20.350 -15.653 -3.018 18 2HD LYS 3 1HD LYS 3 -19.988 -15.291 -4.706 19 1HE LYS 3 2HE LYS 3 -21.218 -17.482 -4.170 20 2HE LYS 3 1HE LYS 3 -19.857 -17.543 -5.289 21 1HZ LYS 3 3HZ LYS 3 -18.894 -17.902 -2.681 22 2HZ LYS 3 2HZ LYS 3 -20.194 -18.960 -2.906 23 3HZ LYS 3 1HZ LYS 3 -18.877 -19.001 -3.967 24 H CYS 4 H CYS 4 -17.828 -12.189 -3.690 25 HA CYS 4 HA CYS 4 -15.859 -10.183 -3.785 26 1HB CYS 4 2HB CYS 4 -16.525 -11.509 -6.312 27 2HB CYS 4 1HB CYS 4 -16.629 -9.753 -6.385 28 H LYS 5 H LYS 5 -18.999 -11.157 -3.508 29 HA LYS 5 HA LYS 5 -19.924 -8.390 -3.436 30 1HB LYS 5 2HB LYS 5 -22.094 -10.009 -4.421 31 2HB LYS 5 1HB LYS 5 -21.363 -8.586 -5.151 32 1HG LYS 5 2HG LYS 5 -21.165 -10.244 -6.766 33 2HG LYS 5 1HG LYS 5 -19.567 -10.164 -6.029 34 1HD LYS 5 2HD LYS 5 -19.732 -12.390 -5.750 35 2HD LYS 5 1HD LYS 5 -20.894 -12.035 -4.469 36 1HE LYS 5 2HE LYS 5 -21.694 -13.690 -6.154 37 2HE LYS 5 1HE LYS 5 -22.731 -12.274 -5.988 38 1HZ LYS 5 3HZ LYS 5 -20.642 -12.186 -8.030 39 2HZ LYS 5 2HZ LYS 5 -21.977 -13.182 -8.330 40 3HZ LYS 5 1HZ LYS 5 -22.202 -11.528 -8.051 41 H LYS 6 H LYS 6 -21.605 -8.008 -1.976 42 HA LYS 6 HA LYS 6 -22.617 -10.207 -0.369 43 1HB LYS 6 2HB LYS 6 -20.642 -9.825 0.844 44 2HB LYS 6 1HB LYS 6 -20.733 -8.088 0.624 45 1HG LYS 6 2HG LYS 6 -22.733 -8.091 2.142 46 2HG LYS 6 1HG LYS 6 -22.394 -9.793 2.463 47 1HD LYS 6 2HD LYS 6 -20.302 -7.670 2.813 48 2HD LYS 6 1HD LYS 6 -21.461 -8.041 4.090 49 1HE LYS 6 2HE LYS 6 -20.722 -10.397 4.031 50 2HE LYS 6 1HE LYS 6 -19.517 -9.965 2.818 51 1HZ LYS 6 3HZ LYS 6 -18.508 -8.457 4.420 52 2HZ LYS 6 2HZ LYS 6 -19.650 -8.899 5.587 53 3HZ LYS 6 1HZ LYS 6 -18.541 -10.040 5.015 54 H VAL 7 H VAL 7 -24.714 -9.840 0.072 55 HA VAL 7 HA VAL 7 -25.980 -7.427 -0.669 56 HB VAL 7 HB VAL 7 -27.945 -8.505 -0.360 57 1HG1 VAL 7 2HG1 VAL 7 -26.404 -10.116 -1.477 58 2HG1 VAL 7 1HG1 VAL 7 -26.180 -10.902 0.086 59 3HG1 VAL 7 3HG1 VAL 7 -27.777 -10.866 -0.661 60 1HG2 VAL 7 1HG2 VAL 7 -26.824 -9.528 2.237 61 2HG2 VAL 7 3HG2 VAL 7 -28.137 -8.378 1.985 62 3HG2 VAL 7 2HG2 VAL 7 -28.368 -10.080 1.588 63 H TYR 8 H TYR 8 -27.033 -5.859 0.606 64 HA TYR 8 HA TYR 8 -25.742 -5.429 3.205 65 1HB TYR 8 2HB TYR 8 -25.601 -3.659 1.424 66 2HB TYR 8 1HB TYR 8 -27.345 -3.460 1.574 67 HD1 TYR 8 HD2 TYR 8 -28.295 -2.696 3.763 68 HD2 TYR 8 HD1 TYR 8 -24.135 -2.619 2.935 69 HE1 TYR 8 HE2 TYR 8 -27.959 -1.115 5.627 70 HE2 TYR 8 HE1 TYR 8 -23.784 -1.044 4.792 71 HH TYR 8 HH TYR 8 -25.038 0.581 6.087 72 H GLU 9 H GLU 9 -28.600 -6.474 1.886 73 HA GLU 9 HA GLU 9 -30.803 -6.537 2.594 74 1HB GLU 9 2HB GLU 9 -30.999 -7.790 4.682 75 2HB GLU 9 1HB GLU 9 -29.702 -8.435 3.688 76 1HG GLU 9 2HG GLU 9 -29.101 -6.433 5.819 77 2HG GLU 9 1HG GLU 9 -29.346 -8.127 6.231 78 H ASN 10 H ASN 10 -31.770 -6.290 5.284 79 HA ASN 10 HA ASN 10 -33.063 -4.303 5.880 80 1HB ASN 10 2HB ASN 10 -32.008 -5.603 7.719 81 2HB ASN 10 1HB ASN 10 -30.610 -4.537 7.630 82 1HD2 ASN 10 2HD2 ASN 10 -33.469 -3.555 10.066 83 2HD2 ASN 10 1HD2 ASN 10 -33.024 -5.137 9.530 84 H TYR 11 H TYR 11 -33.146 -2.504 4.681 85 HA TYR 11 HA TYR 11 -31.631 -0.256 5.354 86 1HB TYR 11 2HB TYR 11 -29.720 -0.828 4.252 87 2HB TYR 11 1HB TYR 11 -30.549 -1.929 3.167 88 HD1 TYR 11 HD2 TYR 11 -31.614 -1.055 1.099 89 HD2 TYR 11 HD1 TYR 11 -29.294 1.443 3.645 90 HE1 TYR 11 HE2 TYR 11 -31.416 0.599 -0.711 91 HE2 TYR 11 HE1 TYR 11 -29.079 3.097 1.840 92 HH TYR 11 HH TYR 11 -29.288 3.339 -0.471 93 HA PRO 12 HA PRO 12 -35.188 1.780 3.651 94 1HB PRO 12 2HB PRO 12 -33.123 3.555 2.396 95 2HB PRO 12 1HB PRO 12 -34.611 3.991 3.246 96 1HG PRO 12 2HG PRO 12 -32.217 4.141 4.441 97 2HG PRO 12 1HG PRO 12 -33.678 3.672 5.326 98 1HD PRO 12 2HD PRO 12 -31.366 2.027 4.514 99 2HD PRO 12 1HD PRO 12 -32.557 1.750 5.801 100 H VAL 13 H VAL 13 -35.715 0.053 2.198 101 HA VAL 13 HA VAL 13 -34.508 -0.509 -0.227 102 HB VAL 13 HB VAL 13 -37.474 -0.634 0.355 103 1HG1 VAL 13 1HG1 VAL 13 -35.746 -1.843 -1.776 104 2HG1 VAL 13 3HG1 VAL 13 -37.284 -2.569 -1.310 105 3HG1 VAL 13 2HG1 VAL 13 -37.242 -0.927 -1.954 106 1HG2 VAL 13 2HG2 VAL 13 -35.719 -1.841 1.891 107 2HG2 VAL 13 1HG2 VAL 13 -37.186 -2.672 1.369 108 3HG2 VAL 13 3HG2 VAL 13 -35.655 -2.987 0.551 109 H SER 14 H SER 14 -37.716 0.856 -0.474 110 HA SER 14 HA SER 14 -38.339 2.059 -2.462 111 1HB SER 14 2HB SER 14 -38.750 4.251 -1.598 112 2HB SER 14 1HB SER 14 -38.861 3.126 -0.244 113 HG SER 14 HG SER 14 -36.994 3.869 0.552 114 H LYS 15 H LYS 15 -35.603 3.909 -1.132 115 HA LYS 15 HA LYS 15 -34.905 5.110 -3.562 116 1HB LYS 15 2HB LYS 15 -33.866 4.993 -0.854 117 2HB LYS 15 1HB LYS 15 -32.556 5.017 -2.024 118 1HG LYS 15 2HG LYS 15 -32.998 7.258 -1.430 119 2HG LYS 15 1HG LYS 15 -33.644 7.027 -3.056 120 1HD LYS 15 2HD LYS 15 -35.390 8.136 -2.059 121 2HD LYS 15 1HD LYS 15 -35.854 6.461 -1.755 122 1HE LYS 15 2HE LYS 15 -34.497 6.776 0.448 123 2HE LYS 15 1HE LYS 15 -34.736 8.494 0.131 124 1HZ LYS 15 2HZ LYS 15 -37.148 8.037 0.010 125 2HZ LYS 15 1HZ LYS 15 -36.851 6.440 0.479 126 3HZ LYS 15 3HZ LYS 15 -36.488 7.712 1.532 127 H CYS 16 H CYS 16 -34.810 3.567 -5.176 128 HA CYS 16 HA CYS 16 -32.282 2.498 -5.736 129 1HB CYS 16 2HB CYS 16 -33.859 0.822 -4.065 130 2HB CYS 16 1HB CYS 16 -33.800 0.061 -5.652 131 H GLN 17 H GLN 17 -32.207 2.769 -7.830 132 HA GLN 17 HA GLN 17 -34.609 2.238 -9.449 133 1HB GLN 17 2HB GLN 17 -32.477 4.332 -9.612 134 2HB GLN 17 1HB GLN 17 -33.236 3.784 -11.101 135 1HG GLN 17 2HG GLN 17 -34.214 5.839 -10.017 136 2HG GLN 17 1HG GLN 17 -35.347 4.556 -10.438 137 1HE2 GLN 17 2HE2 GLN 17 -36.462 4.052 -7.205 138 2HE2 GLN 17 1HE2 GLN 17 -36.543 3.633 -8.878 139 H LEU 18 H LEU 18 -31.063 2.282 -9.598 140 HA LEU 18 HA LEU 18 -30.822 -0.347 -10.499 141 1HB LEU 18 2HB LEU 18 -31.390 1.612 -12.539 142 2HB LEU 18 1HB LEU 18 -29.825 0.872 -12.830 143 HG LEU 18 HG LEU 18 -32.288 -0.729 -12.279 144 1HD1 LEU 18 2HD1 LEU 18 -31.296 0.451 -14.836 145 2HD1 LEU 18 1HD1 LEU 18 -32.109 -1.114 -14.851 146 3HD1 LEU 18 3HD1 LEU 18 -32.947 0.310 -14.234 147 1HD2 LEU 18 1HD2 LEU 18 -29.777 -1.553 -12.128 148 2HD2 LEU 18 3HD2 LEU 18 -31.050 -2.574 -12.805 149 3HD2 LEU 18 2HD2 LEU 18 -29.974 -1.682 -13.879 150 H ALA 19 H ALA 19 -29.493 2.751 -9.846 151 HA ALA 19 HA ALA 19 -27.105 1.718 -8.844 152 1HB ALA 19 3HB ALA 19 -27.014 2.588 -11.696 153 2HB ALA 19 2HB ALA 19 -25.601 2.786 -10.663 154 3HB ALA 19 1HB ALA 19 -26.277 1.179 -10.932 155 H ASN 20 H ASN 20 -27.131 3.171 -7.205 156 HA ASN 20 HA ASN 20 -26.186 5.782 -7.614 157 1HB ASN 20 2HB ASN 20 -28.461 6.176 -8.470 158 2HB ASN 20 1HB ASN 20 -29.128 5.626 -6.938 159 1HD2 ASN 20 2HD2 ASN 20 -26.956 8.708 -5.829 160 2HD2 ASN 20 1HD2 ASN 20 -26.378 7.105 -6.111 161 H GLN 21 H GLN 21 -28.707 5.471 -5.264 162 HA GLN 21 HA GLN 21 -27.159 6.080 -3.079 163 1HB GLN 21 2HB GLN 21 -29.683 4.422 -3.167 164 2HB GLN 21 1HB GLN 21 -28.988 5.106 -1.702 165 1HG GLN 21 2HG GLN 21 -30.020 6.650 -4.071 166 2HG GLN 21 1HG GLN 21 -30.816 6.473 -2.508 167 1HE2 GLN 21 2HE2 GLN 21 -28.235 8.481 -0.870 168 2HE2 GLN 21 1HE2 GLN 21 -28.922 6.905 -0.704 169 H CYS 22 H CYS 22 -28.185 2.845 -4.123 170 HA CYS 22 HA CYS 22 -26.878 1.372 -2.155 171 1HB CYS 22 2HB CYS 22 -28.573 0.663 -4.014 172 2HB CYS 22 1HB CYS 22 -27.124 0.345 -4.963 173 H ASN 23 H ASN 23 -25.774 1.930 -5.502 174 HA ASN 23 HA ASN 23 -23.285 0.776 -5.333 175 1HB ASN 23 2HB ASN 23 -24.425 1.805 -7.373 176 2HB ASN 23 1HB ASN 23 -23.788 3.353 -6.826 177 1HD2 ASN 23 1HD2 ASN 23 -21.308 2.679 -5.939 178 2HD2 ASN 23 2HD2 ASN 23 -20.347 2.102 -7.254 179 H TYR 24 H TYR 24 -23.873 4.277 -5.008 180 HA TYR 24 HA TYR 24 -21.363 4.964 -4.060 181 1HB TYR 24 2HB TYR 24 -22.410 6.925 -4.449 182 2HB TYR 24 1HB TYR 24 -23.998 6.209 -4.210 183 HD1 TYR 24 HD1 TYR 24 -21.043 7.072 -2.090 184 HD2 TYR 24 HD2 TYR 24 -25.265 7.188 -2.579 185 HE1 TYR 24 HE1 TYR 24 -21.250 8.251 0.053 186 HE2 TYR 24 HE2 TYR 24 -25.486 8.365 -0.437 187 HH TYR 24 HH TYR 24 -22.959 9.840 1.123 188 H ASP 25 H ASP 25 -24.277 4.117 -2.189 189 HA ASP 25 HA ASP 25 -23.313 4.459 0.359 190 1HB ASP 25 2HB ASP 25 -25.242 2.449 -0.777 191 2HB ASP 25 1HB ASP 25 -24.835 2.437 0.935 192 H CYS 26 H CYS 26 -23.303 1.278 -1.303 193 HA CYS 26 HA CYS 26 -21.661 -0.037 0.493 194 1HB CYS 26 2HB CYS 26 -21.639 -0.383 -2.520 195 2HB CYS 26 1HB CYS 26 -21.074 -1.555 -1.340 196 H LYS 27 H LYS 27 -20.799 2.026 -2.237 197 HA LYS 27 HA LYS 27 -18.017 1.700 -2.133 198 1HB LYS 27 2HB LYS 27 -19.472 2.826 -3.933 199 2HB LYS 27 1HB LYS 27 -19.352 4.271 -2.940 200 1HG LYS 27 2HG LYS 27 -17.075 4.493 -3.309 201 2HG LYS 27 1HG LYS 27 -16.888 2.805 -3.788 202 1HD LYS 27 2HD LYS 27 -16.735 4.403 -5.686 203 2HD LYS 27 1HD LYS 27 -18.021 3.208 -5.868 204 1HE LYS 27 2HE LYS 27 -19.685 4.755 -5.581 205 2HE LYS 27 1HE LYS 27 -18.683 5.814 -4.590 206 1HZ LYS 27 3HZ LYS 27 -17.833 5.497 -7.347 207 2HZ LYS 27 2HZ LYS 27 -19.301 6.311 -7.133 208 3HZ LYS 27 1HZ LYS 27 -17.896 6.888 -6.386 209 H LEU 28 H LEU 28 -19.695 2.544 0.437 210 HA LEU 28 HA LEU 28 -17.503 3.945 1.647 211 1HB LEU 28 2HB LEU 28 -18.769 5.743 0.438 212 2HB LEU 28 1HB LEU 28 -20.138 5.399 1.480 213 HG LEU 28 HG LEU 28 -18.432 5.870 3.411 214 1HD1 LEU 28 2HD1 LEU 28 -16.581 6.031 1.611 215 2HD1 LEU 28 1HD1 LEU 28 -17.214 7.655 1.345 216 3HD1 LEU 28 3HD1 LEU 28 -16.599 7.198 2.934 217 1HD2 LEU 28 1HD2 LEU 28 -19.569 8.068 1.682 218 2HD2 LEU 28 3HD2 LEU 28 -20.425 7.202 2.958 219 3HD2 LEU 28 2HD2 LEU 28 -19.057 8.240 3.360 220 H ASP 29 H ASP 29 -20.732 2.623 1.841 221 HA ASP 29 HA ASP 29 -20.988 2.794 4.670 222 1HB ASP 29 2HB ASP 29 -22.498 1.612 2.442 223 2HB ASP 29 1HB ASP 29 -22.603 0.677 3.927 224 H LYS 30 H LYS 30 -20.433 -0.035 2.572 225 HA LYS 30 HA LYS 30 -19.226 -1.447 4.835 226 1HB LYS 30 2HB LYS 30 -20.911 -2.236 2.685 227 2HB LYS 30 1HB LYS 30 -19.376 -3.049 2.436 228 1HG LYS 30 2HG LYS 30 -20.410 -4.597 3.728 229 2HG LYS 30 1HG LYS 30 -19.684 -3.629 5.008 230 1HD LYS 30 2HD LYS 30 -21.898 -2.304 4.943 231 2HD LYS 30 1HD LYS 30 -22.523 -3.703 4.066 232 1HE LYS 30 2HE LYS 30 -21.897 -3.400 6.914 233 2HE LYS 30 1HE LYS 30 -22.992 -4.523 6.108 234 1HZ LYS 30 1HZ LYS 30 -20.412 -5.291 5.438 235 2HZ LYS 30 3HZ LYS 30 -20.400 -4.996 7.104 236 3HZ LYS 30 2HZ LYS 30 -21.500 -6.100 6.449 237 H HIS 31 H HIS 31 -18.001 0.735 3.078 238 HA HIS 31 HA HIS 31 -16.004 1.218 2.095 239 1HB HIS 31 2HB HIS 31 -14.710 -1.180 3.304 240 2HB HIS 31 1HB HIS 31 -14.157 0.491 3.254 241 HD1 HIS 31 HD1 HIS 31 -15.493 -1.954 5.507 242 HD2 HIS 31 HD2 HIS 31 -15.761 2.176 5.141 243 HE1 HIS 31 HE1 HIS 31 -16.255 -1.128 7.757 244 HE2 HIS 31 HE2 HIS 31 -16.358 1.379 7.527 245 H ALA 32 H ALA 32 -17.823 -0.492 0.672 246 HA ALA 32 HA ALA 32 -16.228 -2.499 -0.663 247 1HB ALA 32 2HB ALA 32 -19.038 -1.828 -0.432 248 2HB ALA 32 1HB ALA 32 -18.603 -2.187 -2.100 249 3HB ALA 32 3HB ALA 32 -18.292 -3.372 -0.828 250 H ARG 33 H ARG 33 -16.740 -2.429 -3.238 251 HA ARG 33 HA ARG 33 -15.428 0.028 -4.130 252 1HB ARG 33 2HB ARG 33 -15.293 -2.761 -4.868 253 2HB ARG 33 1HB ARG 33 -15.652 -1.790 -6.289 254 1HG ARG 33 2HG ARG 33 -13.264 -2.113 -6.030 255 2HG ARG 33 1HG ARG 33 -13.693 -0.410 -5.857 256 1HD ARG 33 2HD ARG 33 -12.532 -0.432 -3.937 257 2HD ARG 33 1HD ARG 33 -13.826 -1.422 -3.261 258 HE ARG 33 HE ARG 33 -12.416 -3.216 -3.311 259 1HH1 ARG 33 1HH2 ARG 33 -11.166 -0.734 -5.404 260 2HH1 ARG 33 2HH2 ARG 33 -9.667 -1.550 -5.696 261 1HH2 ARG 33 2HH1 ARG 33 -10.447 -4.307 -3.689 262 2HH2 ARG 33 1HH1 ARG 33 -9.260 -3.586 -4.724 263 H SER 34 H SER 34 -18.270 -1.966 -4.818 264 HA SER 34 HA SER 34 -19.668 0.367 -5.796 265 1HB SER 34 2HB SER 34 -20.145 -0.431 -7.989 266 2HB SER 34 1HB SER 34 -18.403 -0.606 -7.778 267 HG SER 34 HG SER 34 -19.929 -2.461 -8.578 268 H GLY 35 H GLY 35 -21.717 -1.165 -7.129 269 1HA GLY 35 2HA GLY 35 -22.761 -3.289 -5.697 270 2HA GLY 35 1HA GLY 35 -23.296 -1.841 -4.858 271 H GLU 36 H GLU 36 -25.356 -3.066 -5.593 272 HA GLU 36 HA GLU 36 -26.664 -1.482 -7.495 273 1HB GLU 36 2HB GLU 36 -27.115 -3.347 -9.179 274 2HB GLU 36 1HB GLU 36 -25.536 -2.580 -9.251 275 1HG GLU 36 2HG GLU 36 -24.715 -4.495 -7.793 276 2HG GLU 36 1HG GLU 36 -26.246 -5.286 -8.174 277 H CYS 37 H CYS 37 -28.920 -2.069 -7.740 278 HA CYS 37 HA CYS 37 -29.848 -3.570 -5.439 279 1HB CYS 37 2HB CYS 37 -30.811 -1.333 -6.873 280 2HB CYS 37 1HB CYS 37 -32.018 -2.599 -7.064 281 H PHE 38 H PHE 38 -31.491 -5.210 -5.579 282 HA PHE 38 HA PHE 38 -31.824 -6.506 -8.173 283 1HB PHE 38 2HB PHE 38 -30.095 -7.526 -6.024 284 2HB PHE 38 1HB PHE 38 -31.261 -8.707 -6.612 285 HD1 PHE 38 HD2 PHE 38 -28.359 -6.653 -7.479 286 HD2 PHE 38 HD1 PHE 38 -31.129 -9.582 -8.846 287 HE1 PHE 38 HE2 PHE 38 -26.908 -7.120 -9.411 288 HE2 PHE 38 HE1 PHE 38 -29.683 -10.053 -10.779 289 HZ PHE 38 HZ PHE 38 -27.570 -8.821 -11.065 290 H TYR 39 H TYR 39 -33.897 -7.004 -8.398 291 HA TYR 39 HA TYR 39 -35.701 -6.905 -6.201 292 1HB TYR 39 2HB TYR 39 -36.038 -7.719 -9.088 293 2HB TYR 39 1HB TYR 39 -37.364 -7.779 -7.934 294 HD1 TYR 39 HD2 TYR 39 -34.832 -5.418 -9.324 295 HD2 TYR 39 HD1 TYR 39 -38.710 -5.909 -7.645 296 HE1 TYR 39 HE2 TYR 39 -35.326 -3.053 -9.786 297 HE2 TYR 39 HE1 TYR 39 -39.220 -3.549 -8.112 298 HH TYR 39 HH TYR 39 -37.075 -1.546 -9.998 299 H ASP 40 H ASP 40 -36.012 -9.536 -8.447 300 HA ASP 40 HA ASP 40 -36.302 -11.776 -8.142 301 1HB ASP 40 2HB ASP 40 -34.483 -12.387 -6.060 302 2HB ASP 40 1HB ASP 40 -34.227 -12.565 -7.795 303 H GLU 41 H GLU 41 -37.294 -13.318 -6.950 304 HA GLU 41 HA GLU 41 -38.297 -14.282 -5.145 305 1HB GLU 41 2HB GLU 41 -36.698 -12.714 -3.774 306 2HB GLU 41 1HB GLU 41 -38.166 -11.785 -3.510 307 1HG GLU 41 2HG GLU 41 -39.101 -14.188 -2.858 308 2HG GLU 41 1HG GLU 41 -37.399 -14.452 -2.484 309 H LYS 42 H LYS 42 -39.253 -10.929 -4.589 310 HA LYS 42 HA LYS 42 -41.807 -11.402 -5.900 311 1HB LYS 42 2HB LYS 42 -41.998 -12.270 -3.572 312 2HB LYS 42 1HB LYS 42 -41.688 -10.650 -2.980 313 1HG LYS 42 2HG LYS 42 -43.868 -10.920 -4.952 314 2HG LYS 42 1HG LYS 42 -44.152 -11.683 -3.393 315 1HD LYS 42 2HD LYS 42 -44.801 -9.683 -2.611 316 2HD LYS 42 1HD LYS 42 -43.144 -9.119 -2.786 317 1HE LYS 42 2HE LYS 42 -43.786 -8.657 -5.233 318 2HE LYS 42 1HE LYS 42 -45.450 -8.803 -4.670 319 1HZ LYS 42 2HZ LYS 42 -44.928 -7.069 -3.002 320 2HZ LYS 42 1HZ LYS 42 -43.413 -6.863 -3.723 321 3HZ LYS 42 3HZ LYS 42 -44.821 -6.520 -4.598 322 H ARG 43 H ARG 43 -40.699 -9.730 -7.223 323 HA ARG 43 HA ARG 43 -40.214 -7.561 -7.813 324 1HB ARG 43 2HB ARG 43 -42.729 -7.899 -7.996 325 2HB ARG 43 1HB ARG 43 -42.861 -7.019 -6.485 326 1HG ARG 43 2HG ARG 43 -43.161 -5.278 -7.899 327 2HG ARG 43 1HG ARG 43 -41.403 -5.242 -7.808 328 1HD ARG 43 2HD ARG 43 -42.774 -6.850 -9.936 329 2HD ARG 43 1HD ARG 43 -42.577 -5.112 -10.116 330 HE ARG 43 HE ARG 43 -40.228 -5.407 -10.152 331 1HH1 ARG 43 1HH2 ARG 43 -42.006 -8.407 -10.107 332 2HH1 ARG 43 2HH2 ARG 43 -40.677 -9.348 -10.693 333 1HH2 ARG 43 2HH1 ARG 43 -38.480 -6.637 -10.926 334 2HH2 ARG 43 1HH1 ARG 43 -38.672 -8.343 -11.158 335 H ASN 44 H ASN 44 -39.006 -8.163 -5.324 336 HA ASN 44 HA ASN 44 -39.483 -5.827 -3.637 337 1HB ASN 44 2HB ASN 44 -37.857 -8.341 -3.299 338 2HB ASN 44 1HB ASN 44 -37.647 -6.967 -2.219 339 1HD2 ASN 44 2HD2 ASN 44 -40.771 -9.472 -1.824 340 2HD2 ASN 44 1HD2 ASN 44 -39.577 -9.656 -3.059 341 H LEU 45 H LEU 45 -36.856 -5.475 -2.635 342 HA LEU 45 HA LEU 45 -35.129 -4.946 -4.887 343 1HB LEU 45 2HB LEU 45 -36.739 -2.824 -3.606 344 2HB LEU 45 1HB LEU 45 -35.049 -2.435 -3.859 345 HG LEU 45 HG LEU 45 -36.948 -3.323 -6.033 346 1HD1 LEU 45 3HD1 LEU 45 -36.636 -0.758 -4.791 347 2HD1 LEU 45 2HD1 LEU 45 -36.051 -0.674 -6.452 348 3HD1 LEU 45 1HD1 LEU 45 -37.689 -1.233 -6.123 349 1HD2 LEU 45 2HD2 LEU 45 -34.041 -2.722 -5.936 350 2HD2 LEU 45 1HD2 LEU 45 -34.923 -3.904 -6.902 351 3HD2 LEU 45 3HD2 LEU 45 -34.945 -2.198 -7.356 352 H GLN 46 H GLN 46 -33.484 -6.070 -3.965 353 HA GLN 46 HA GLN 46 -32.650 -5.396 -1.240 354 1HB GLN 46 2HB GLN 46 -31.623 -7.537 -3.116 355 2HB GLN 46 1HB GLN 46 -31.143 -7.327 -1.436 356 1HG GLN 46 2HG GLN 46 -33.484 -7.736 -0.757 357 2HG GLN 46 1HG GLN 46 -33.884 -8.054 -2.446 358 1HE2 GLN 46 2HE2 GLN 46 -33.340 -11.313 -0.886 359 2HE2 GLN 46 1HE2 GLN 46 -34.463 -10.006 -0.765 360 H CYS 47 H CYS 47 -30.163 -5.286 -0.952 361 HA CYS 47 HA CYS 47 -29.051 -3.578 -3.093 362 1HB CYS 47 2HB CYS 47 -29.570 -2.971 -0.359 363 2HB CYS 47 1HB CYS 47 -27.826 -2.967 -0.579 364 H ILE 48 H ILE 48 -27.524 -4.666 -4.132 365 HA ILE 48 HA ILE 48 -25.810 -6.574 -2.740 366 HB ILE 48 HB ILE 48 -26.278 -5.959 -5.641 367 1HG1 ILE 48 2HG1 ILE 48 -27.628 -7.616 -4.033 368 2HG1 ILE 48 1HG1 ILE 48 -27.355 -7.976 -5.733 369 1HG2 ILE 48 3HG2 ILE 48 -24.007 -7.483 -4.420 370 2HG2 ILE 48 2HG2 ILE 48 -24.602 -7.862 -6.036 371 3HG2 ILE 48 1HG2 ILE 48 -23.970 -6.254 -5.685 372 1HD1 ILE 48 1HD1 ILE 48 -25.444 -8.930 -3.640 373 2HD1 ILE 48 3HD1 ILE 48 -26.929 -9.813 -3.995 374 3HD1 ILE 48 2HD1 ILE 48 -25.728 -9.561 -5.263 375 H CYS 49 H CYS 49 -23.858 -6.008 -1.978 376 HA CYS 49 HA CYS 49 -22.600 -3.548 -2.991 377 1HB CYS 49 2HB CYS 49 -22.129 -5.150 -0.475 378 2HB CYS 49 1HB CYS 49 -21.125 -3.794 -0.964 379 H ASP 50 H ASP 50 -20.954 -3.684 -4.369 380 HA ASP 50 HA ASP 50 -19.648 -6.269 -4.773 381 1HB ASP 50 2HB ASP 50 -20.414 -4.113 -6.488 382 2HB ASP 50 1HB ASP 50 -18.665 -4.275 -6.593 383 H TYR 51 H TYR 51 -17.486 -6.633 -4.527 384 HA TYR 51 HA TYR 51 -15.972 -4.523 -3.121 385 1HB TYR 51 2HB TYR 51 -16.013 -7.514 -2.821 386 2HB TYR 51 1HB TYR 51 -14.674 -6.547 -2.209 387 HD1 TYR 51 HD2 TYR 51 -18.419 -6.514 -2.098 388 HD2 TYR 51 HD1 TYR 51 -14.768 -5.978 0.020 389 HE1 TYR 51 HE2 TYR 51 -19.687 -6.096 -0.032 390 HE2 TYR 51 HE1 TYR 51 -16.025 -5.561 2.093 391 HH TYR 51 HH TYR 51 -18.220 -4.860 2.807 392 H CYS 52 H CYS 52 -16.072 -6.406 -5.953 393 HA CYS 52 HA CYS 52 -13.322 -5.586 -6.594 394 1HB CYS 52 2HB CYS 52 -14.141 -8.206 -7.706 395 2HB CYS 52 1HB CYS 52 -12.577 -7.678 -7.095 396 H GLU 53 H GLU 53 -16.427 -5.236 -7.356 397 HA GLU 53 HA GLU 53 -17.642 -4.873 -9.271 398 1HB GLU 53 2HB GLU 53 -15.681 -3.010 -8.905 399 2HB GLU 53 1HB GLU 53 -15.356 -3.504 -10.557 400 1HG GLU 53 2HG GLU 53 -17.739 -3.043 -11.096 401 2HG GLU 53 1HG GLU 53 -17.931 -2.403 -9.464 402 H TYR 54 HN TYR 54 -17.322 -7.291 -9.668 403 HA TYR 54 HA TYR 54 -15.620 -8.584 -11.252 404 1HB TYR 54 2HB TYR 54 -17.362 -9.974 -10.781 405 2HB TYR 54 1HB TYR 54 -18.561 -8.701 -10.967 406 HD1 TYR 54 HD2 TYR 54 -19.183 -7.999 -13.343 407 HD2 TYR 54 HD1 TYR 54 -17.060 -11.580 -12.465 408 HE1 TYR 54 HE2 TYR 54 -19.826 -8.910 -15.535 409 HE2 TYR 54 HE1 TYR 54 -17.697 -12.501 -14.656 410 HH TYR 54 HH TYR 54 -18.424 -11.182 -17.065 No H/Q in entry = 410 Start of MODEL 28 1 HN PCA 1 HN PCA 1 -13.710 -17.403 -6.192 2 HA PCA 1 HA PCA 1 -12.520 -15.858 -4.531 3 1HB PCA 1 1HB PCA 1 -12.353 -13.682 -5.139 4 2HB PCA 1 2HB PCA 1 -14.123 -13.524 -5.221 5 1HG PCA 1 1HG PCA 1 -12.217 -13.939 -7.394 6 2HG PCA 1 2HG PCA 1 -13.958 -13.619 -7.497 7 H ASP 2 H ASP 2 -13.501 -16.731 -2.810 8 HA ASP 2 HA ASP 2 -16.134 -17.350 -2.437 9 1HB ASP 2 2HB ASP 2 -14.655 -18.203 -0.831 10 2HB ASP 2 1HB ASP 2 -13.972 -16.619 -0.481 11 H LYS 3 H LYS 3 -14.571 -14.393 -1.188 12 HA LYS 3 HA LYS 3 -17.190 -13.208 -0.720 13 1HB LYS 3 2HB LYS 3 -14.612 -11.766 -0.240 14 2HB LYS 3 1HB LYS 3 -16.132 -11.652 0.637 15 1HG LYS 3 2HG LYS 3 -15.707 -13.979 1.478 16 2HG LYS 3 1HG LYS 3 -14.095 -13.858 0.772 17 1HD LYS 3 2HD LYS 3 -13.667 -11.860 2.152 18 2HD LYS 3 1HD LYS 3 -15.264 -12.042 2.881 19 1HE LYS 3 2HE LYS 3 -12.785 -13.616 3.303 20 2HE LYS 3 1HE LYS 3 -14.029 -13.133 4.456 21 1HZ LYS 3 2HZ LYS 3 -15.491 -14.802 3.236 22 2HZ LYS 3 1HZ LYS 3 -14.059 -15.404 2.567 23 3HZ LYS 3 3HZ LYS 3 -14.283 -15.421 4.244 24 H CYS 4 H CYS 4 -17.793 -11.163 -1.519 25 HA CYS 4 HA CYS 4 -16.451 -9.538 -3.272 26 1HB CYS 4 2HB CYS 4 -17.264 -12.000 -4.549 27 2HB CYS 4 1HB CYS 4 -18.074 -10.632 -5.307 28 H LYS 5 H LYS 5 -19.664 -10.992 -3.819 29 HA LYS 5 HA LYS 5 -20.846 -8.347 -3.384 30 1HB LYS 5 2HB LYS 5 -22.961 -9.828 -4.155 31 2HB LYS 5 1HB LYS 5 -21.880 -9.027 -5.281 32 1HG LYS 5 2HG LYS 5 -20.569 -11.232 -5.302 33 2HG LYS 5 1HG LYS 5 -22.010 -11.927 -4.552 34 1HD LYS 5 2HD LYS 5 -23.332 -10.934 -6.447 35 2HD LYS 5 1HD LYS 5 -21.794 -10.544 -7.215 36 1HE LYS 5 2HE LYS 5 -21.196 -12.944 -7.146 37 2HE LYS 5 1HE LYS 5 -22.786 -13.295 -6.468 38 1HZ LYS 5 1HZ LYS 5 -22.273 -12.068 -9.126 39 2HZ LYS 5 3HZ LYS 5 -22.737 -13.672 -8.853 40 3HZ LYS 5 2HZ LYS 5 -23.798 -12.410 -8.478 41 H LYS 6 H LYS 6 -22.189 -7.886 -1.701 42 HA LYS 6 HA LYS 6 -23.092 -10.083 0.019 43 1HB LYS 6 2HB LYS 6 -21.935 -7.688 1.375 44 2HB LYS 6 1HB LYS 6 -22.069 -9.346 1.948 45 1HG LYS 6 2HG LYS 6 -20.176 -8.475 -0.220 46 2HG LYS 6 1HG LYS 6 -19.745 -8.547 1.487 47 1HD LYS 6 2HD LYS 6 -20.966 -11.037 0.706 48 2HD LYS 6 1HD LYS 6 -19.668 -10.646 -0.421 49 1HE LYS 6 2HE LYS 6 -18.676 -11.912 1.305 50 2HE LYS 6 1HE LYS 6 -18.206 -10.238 1.597 51 1HZ LYS 6 3HZ LYS 6 -20.429 -11.649 2.973 52 2HZ LYS 6 2HZ LYS 6 -18.894 -11.380 3.628 53 3HZ LYS 6 1HZ LYS 6 -19.905 -10.069 3.284 54 H VAL 7 H VAL 7 -25.204 -9.858 0.153 55 HA VAL 7 HA VAL 7 -26.586 -7.452 -0.363 56 HB VAL 7 HB VAL 7 -28.463 -8.709 -0.340 57 1HG1 VAL 7 2HG1 VAL 7 -26.557 -10.160 -1.280 58 2HG1 VAL 7 1HG1 VAL 7 -26.767 -11.116 0.188 59 3HG1 VAL 7 3HG1 VAL 7 -28.111 -10.921 -0.936 60 1HG2 VAL 7 2HG2 VAL 7 -27.512 -9.912 2.260 61 2HG2 VAL 7 1HG2 VAL 7 -28.795 -8.725 2.026 62 3HG2 VAL 7 3HG2 VAL 7 -29.009 -10.380 1.455 63 H TYR 8 H TYR 8 -27.351 -5.886 0.959 64 HA TYR 8 HA TYR 8 -26.183 -5.593 3.519 65 1HB TYR 8 2HB TYR 8 -27.259 -3.836 1.818 66 2HB TYR 8 1HB TYR 8 -28.657 -4.070 2.862 67 HD1 TYR 8 HD1 TYR 8 -27.297 -4.457 5.484 68 HD2 TYR 8 HD2 TYR 8 -26.560 -1.663 2.359 69 HE1 TYR 8 HE1 TYR 8 -26.343 -2.885 7.118 70 HE2 TYR 8 HE2 TYR 8 -25.610 -0.086 3.987 71 HH TYR 8 HH TYR 8 -24.703 0.018 6.133 72 H GLU 9 H GLU 9 -26.664 -6.971 5.101 73 HA GLU 9 HA GLU 9 -29.058 -8.417 5.319 74 1HB GLU 9 2HB GLU 9 -27.334 -7.800 7.688 75 2HB GLU 9 1HB GLU 9 -28.203 -9.280 7.313 76 1HG GLU 9 2HG GLU 9 -26.613 -9.565 5.370 77 2HG GLU 9 1HG GLU 9 -25.669 -8.256 6.076 78 H ASN 10 H ASN 10 -29.823 -5.799 4.964 79 HA ASN 10 HA ASN 10 -31.855 -5.439 6.780 80 1HB ASN 10 2HB ASN 10 -29.282 -4.266 7.673 81 2HB ASN 10 1HB ASN 10 -30.691 -3.223 7.826 82 1HD2 ASN 10 2HD2 ASN 10 -32.298 -5.828 9.937 83 2HD2 ASN 10 1HD2 ASN 10 -32.620 -5.168 8.373 84 H TYR 11 H TYR 11 -29.993 -2.580 6.261 85 HA TYR 11 HA TYR 11 -31.078 -0.666 5.275 86 1HB TYR 11 2HB TYR 11 -28.792 -1.480 4.390 87 2HB TYR 11 1HB TYR 11 -29.687 -1.953 2.950 88 HD1 TYR 11 HD2 TYR 11 -30.920 -0.182 1.656 89 HD2 TYR 11 HD1 TYR 11 -28.207 0.768 4.791 90 HE1 TYR 11 HE2 TYR 11 -30.765 2.124 0.813 91 HE2 TYR 11 HE1 TYR 11 -28.046 3.075 3.959 92 HH TYR 11 HH TYR 11 -29.220 4.018 0.913 93 HA PRO 12 HA PRO 12 -34.688 -2.725 3.188 94 1HB PRO 12 2HB PRO 12 -36.079 -0.503 4.566 95 2HB PRO 12 1HB PRO 12 -36.458 -2.228 4.548 96 1HG PRO 12 2HG PRO 12 -35.441 -1.053 6.724 97 2HG PRO 12 1HG PRO 12 -34.988 -2.706 6.269 98 1HD PRO 12 2HD PRO 12 -33.471 -0.151 5.889 99 2HD PRO 12 1HD PRO 12 -32.879 -1.750 6.388 100 H VAL 13 H VAL 13 -34.482 -2.165 1.110 101 HA VAL 13 HA VAL 13 -33.867 -0.569 -0.594 102 HB VAL 13 HB VAL 13 -36.860 -0.418 -0.227 103 1HG1 VAL 13 3HG1 VAL 13 -35.646 1.005 -2.000 104 2HG1 VAL 13 2HG1 VAL 13 -35.359 -0.525 -2.823 105 3HG1 VAL 13 1HG1 VAL 13 -37.010 0.016 -2.517 106 1HG2 VAL 13 2HG2 VAL 13 -36.056 -2.724 -0.022 107 2HG2 VAL 13 1HG2 VAL 13 -36.987 -2.482 -1.500 108 3HG2 VAL 13 3HG2 VAL 13 -35.227 -2.567 -1.570 109 H SER 14 H SER 14 -36.684 1.263 -0.098 110 HA SER 14 HA SER 14 -37.068 3.344 0.845 111 1HB SER 14 2HB SER 14 -35.528 4.435 2.186 112 2HB SER 14 1HB SER 14 -34.981 2.765 2.337 113 HG SER 14 HG SER 14 -33.521 4.748 1.611 114 H LYS 15 H LYS 15 -34.161 2.979 -1.160 115 HA LYS 15 HA LYS 15 -35.216 4.552 -3.259 116 1HB LYS 15 2HB LYS 15 -34.324 6.094 -1.180 117 2HB LYS 15 1HB LYS 15 -32.889 6.023 -2.183 118 1HG LYS 15 2HG LYS 15 -33.816 7.834 -3.156 119 2HG LYS 15 1HG LYS 15 -34.718 6.621 -4.065 120 1HD LYS 15 2HD LYS 15 -36.624 6.868 -2.658 121 2HD LYS 15 1HD LYS 15 -35.717 7.828 -1.486 122 1HE LYS 15 2HE LYS 15 -36.161 8.698 -4.331 123 2HE LYS 15 1HE LYS 15 -37.255 9.119 -3.013 124 1HZ LYS 15 2HZ LYS 15 -35.033 9.920 -1.919 125 2HZ LYS 15 1HZ LYS 15 -34.521 10.037 -3.527 126 3HZ LYS 15 3HZ LYS 15 -35.870 10.913 -3.004 127 H CYS 16 H CYS 16 -34.435 2.424 -4.086 128 HA CYS 16 HA CYS 16 -31.675 1.804 -4.153 129 1HB CYS 16 2HB CYS 16 -34.119 0.792 -5.504 130 2HB CYS 16 1HB CYS 16 -32.582 0.435 -6.284 131 H GLN 17 H GLN 17 -33.778 2.996 -6.787 132 HA GLN 17 HA GLN 17 -33.340 4.285 -8.609 133 1HB GLN 17 2HB GLN 17 -30.810 5.318 -7.413 134 2HB GLN 17 1HB GLN 17 -32.078 6.179 -8.275 135 1HG GLN 17 2HG GLN 17 -33.483 5.523 -6.135 136 2HG GLN 17 1HG GLN 17 -31.879 5.463 -5.403 137 1HE2 GLN 17 2HE2 GLN 17 -33.674 8.972 -6.160 138 2HE2 GLN 17 1HE2 GLN 17 -34.425 7.443 -6.447 139 H LEU 18 H LEU 18 -31.726 1.659 -7.956 140 HA LEU 18 HA LEU 18 -29.894 0.517 -8.817 141 1HB LEU 18 2HB LEU 18 -31.487 1.429 -11.203 142 2HB LEU 18 1HB LEU 18 -30.226 0.216 -11.278 143 HG LEU 18 HG LEU 18 -31.578 -1.079 -9.538 144 1HD1 LEU 18 2HD1 LEU 18 -33.567 1.024 -10.339 145 2HD1 LEU 18 1HD1 LEU 18 -34.050 -0.544 -9.691 146 3HD1 LEU 18 3HD1 LEU 18 -33.065 0.548 -8.717 147 1HD2 LEU 18 1HD2 LEU 18 -31.424 -1.725 -11.894 148 2HD2 LEU 18 3HD2 LEU 18 -33.028 -2.047 -11.238 149 3HD2 LEU 18 2HD2 LEU 18 -32.766 -0.647 -12.276 150 H ALA 19 H ALA 19 -29.208 3.326 -8.376 151 HA ALA 19 HA ALA 19 -26.719 3.421 -9.592 152 1HB ALA 19 3HB ALA 19 -28.863 4.797 -11.149 153 2HB ALA 19 2HB ALA 19 -27.214 5.425 -11.155 154 3HB ALA 19 1HB ALA 19 -27.535 3.786 -11.719 155 H ASN 20 H ASN 20 -27.955 4.023 -7.079 156 HA ASN 20 HA ASN 20 -26.574 6.428 -6.473 157 1HB ASN 20 2HB ASN 20 -28.979 7.031 -7.465 158 2HB ASN 20 1HB ASN 20 -29.467 6.711 -5.804 159 1HD2 ASN 20 2HD2 ASN 20 -26.798 9.312 -4.949 160 2HD2 ASN 20 1HD2 ASN 20 -26.721 7.587 -4.935 161 H GLN 21 H GLN 21 -28.607 6.850 -4.232 162 HA GLN 21 HA GLN 21 -27.871 6.305 -1.962 163 1HB GLN 21 2HB GLN 21 -30.382 5.890 -2.959 164 2HB GLN 21 1HB GLN 21 -30.037 4.327 -2.233 165 1HG GLN 21 2HG GLN 21 -30.945 5.363 -0.431 166 2HG GLN 21 1HG GLN 21 -29.268 5.861 -0.209 167 1HE2 GLN 21 2HE2 GLN 21 -30.132 9.122 -1.799 168 2HE2 GLN 21 1HE2 GLN 21 -29.149 7.778 -2.258 169 H CYS 22 H CYS 22 -28.874 3.249 -3.479 170 HA CYS 22 HA CYS 22 -27.430 1.582 -1.765 171 1HB CYS 22 2HB CYS 22 -29.313 1.008 -3.438 172 2HB CYS 22 1HB CYS 22 -28.023 0.864 -4.627 173 H ASN 23 H ASN 23 -26.670 2.208 -5.197 174 HA ASN 23 HA ASN 23 -24.137 1.118 -5.219 175 1HB ASN 23 2HB ASN 23 -25.471 1.988 -7.202 176 2HB ASN 23 1HB ASN 23 -24.896 3.597 -6.773 177 1HD2 ASN 23 2HD2 ASN 23 -22.524 2.663 -9.260 178 2HD2 ASN 23 1HD2 ASN 23 -24.110 3.317 -9.058 179 H TYR 24 H TYR 24 -24.989 4.537 -4.726 180 HA TYR 24 HA TYR 24 -22.446 5.504 -4.183 181 1HB TYR 24 2HB TYR 24 -23.978 7.207 -4.425 182 2HB TYR 24 1HB TYR 24 -25.219 6.367 -3.503 183 HD1 TYR 24 HD1 TYR 24 -22.065 8.295 -3.176 184 HD2 TYR 24 HD2 TYR 24 -25.546 6.829 -1.221 185 HE1 TYR 24 HE1 TYR 24 -21.537 9.679 -1.213 186 HE2 TYR 24 HE2 TYR 24 -25.028 8.208 0.749 187 HH TYR 24 HH TYR 24 -22.261 9.385 1.497 188 H ASP 25 H ASP 25 -24.849 4.106 -1.982 189 HA ASP 25 HA ASP 25 -23.484 4.487 0.418 190 1HB ASP 25 2HB ASP 25 -25.507 2.461 -0.485 191 2HB ASP 25 1HB ASP 25 -24.778 2.340 1.112 192 H CYS 26 H CYS 26 -23.625 1.391 -1.390 193 HA CYS 26 HA CYS 26 -21.636 0.119 0.060 194 1HB CYS 26 2HB CYS 26 -22.127 -0.207 -2.911 195 2HB CYS 26 1HB CYS 26 -21.351 -1.372 -1.849 196 H LYS 27 H LYS 27 -21.330 1.965 -2.943 197 HA LYS 27 HA LYS 27 -18.564 1.807 -3.237 198 1HB LYS 27 2HB LYS 27 -20.365 2.632 -4.879 199 2HB LYS 27 1HB LYS 27 -20.167 4.195 -4.100 200 1HG LYS 27 2HG LYS 27 -17.862 4.295 -4.750 201 2HG LYS 27 1HG LYS 27 -17.923 2.646 -5.375 202 1HD LYS 27 2HD LYS 27 -19.077 3.254 -7.258 203 2HD LYS 27 1HD LYS 27 -19.853 4.629 -6.471 204 1HE LYS 27 2HE LYS 27 -17.645 5.786 -6.468 205 2HE LYS 27 1HE LYS 27 -16.994 4.447 -7.409 206 1HZ LYS 27 1HZ LYS 27 -18.887 4.977 -9.022 207 2HZ LYS 27 3HZ LYS 27 -18.998 6.459 -8.212 208 3HZ LYS 27 2HZ LYS 27 -17.560 6.027 -8.991 209 H LEU 28 H LEU 28 -19.824 2.960 -0.504 210 HA LEU 28 HA LEU 28 -17.506 4.546 0.048 211 1HB LEU 28 2HB LEU 28 -19.228 6.026 -1.244 212 2HB LEU 28 1HB LEU 28 -20.048 6.096 0.303 213 HG LEU 28 HG LEU 28 -18.757 8.029 0.283 214 1HD1 LEU 28 2HD1 LEU 28 -18.436 6.613 2.320 215 2HD1 LEU 28 1HD1 LEU 28 -16.909 6.069 1.626 216 3HD1 LEU 28 3HD1 LEU 28 -17.146 7.773 2.012 217 1HD2 LEU 28 2HD2 LEU 28 -16.531 6.372 -0.892 218 2HD2 LEU 28 1HD2 LEU 28 -17.451 7.651 -1.683 219 3HD2 LEU 28 3HD2 LEU 28 -16.351 8.043 -0.362 220 H ASP 29 H ASP 29 -20.864 4.066 1.185 221 HA ASP 29 HA ASP 29 -20.231 4.441 3.912 222 1HB ASP 29 2HB ASP 29 -22.580 3.461 2.383 223 2HB ASP 29 1HB ASP 29 -22.501 3.006 4.081 224 H LYS 30 H LYS 30 -19.402 1.922 1.883 225 HA LYS 30 HA LYS 30 -18.737 0.239 4.175 226 1HB LYS 30 2HB LYS 30 -20.653 -0.456 2.048 227 2HB LYS 30 1HB LYS 30 -19.412 -1.671 2.287 228 1HG LYS 30 2HG LYS 30 -20.701 -2.504 3.912 229 2HG LYS 30 1HG LYS 30 -20.276 -1.096 4.877 230 1HD LYS 30 2HD LYS 30 -22.593 -1.084 4.937 231 2HD LYS 30 1HD LYS 30 -22.232 0.055 3.640 232 1HE LYS 30 2HE LYS 30 -22.366 -2.365 2.316 233 2HE LYS 30 1HE LYS 30 -23.629 -2.512 3.537 234 1HZ LYS 30 3HZ LYS 30 -24.414 -0.274 2.745 235 2HZ LYS 30 2HZ LYS 30 -23.364 -0.448 1.431 236 3HZ LYS 30 1HZ LYS 30 -24.626 -1.552 1.656 237 H HIS 31 H HIS 31 -17.328 2.020 2.270 238 HA HIS 31 HA HIS 31 -15.531 2.027 0.832 239 1HB HIS 31 2HB HIS 31 -14.472 -0.171 2.589 240 2HB HIS 31 1HB HIS 31 -13.604 1.183 1.871 241 HD1 HIS 31 HD1 HIS 31 -14.693 0.093 5.023 242 HD2 HIS 31 HD2 HIS 31 -14.801 3.761 3.073 243 HE1 HIS 31 HE1 HIS 31 -14.963 1.812 6.838 244 HE2 HIS 31 HE2 HIS 31 -14.995 4.028 5.639 245 H ALA 32 H ALA 32 -17.565 0.369 -0.189 246 HA ALA 32 HA ALA 32 -16.310 -2.086 -1.090 247 1HB ALA 32 3HB ALA 32 -18.754 -1.908 -0.511 248 2HB ALA 32 2HB ALA 32 -18.959 -0.956 -1.981 249 3HB ALA 32 1HB ALA 32 -18.404 -2.628 -2.083 250 H ARG 33 H ARG 33 -16.954 -2.454 -3.620 251 HA ARG 33 HA ARG 33 -15.382 -0.427 -5.029 252 1HB ARG 33 2HB ARG 33 -16.042 -3.304 -5.534 253 2HB ARG 33 1HB ARG 33 -15.618 -2.283 -6.899 254 1HG ARG 33 2HG ARG 33 -13.548 -1.669 -5.407 255 2HG ARG 33 1HG ARG 33 -13.934 -3.203 -4.624 256 1HD ARG 33 2HD ARG 33 -12.819 -2.667 -7.298 257 2HD ARG 33 1HD ARG 33 -12.620 -4.071 -6.248 258 HE ARG 33 HE ARG 33 -15.237 -4.042 -7.277 259 1HH1 ARG 33 1HH2 ARG 33 -11.948 -4.565 -8.304 260 2HH1 ARG 33 2HH2 ARG 33 -12.386 -5.632 -9.597 261 1HH2 ARG 33 2HH1 ARG 33 -15.821 -5.445 -8.982 262 2HH2 ARG 33 1HH1 ARG 33 -14.584 -6.133 -9.981 263 H SER 34 H SER 34 -18.464 -2.168 -5.285 264 HA SER 34 HA SER 34 -19.789 0.100 -6.364 265 1HB SER 34 2HB SER 34 -20.384 -1.198 -8.559 266 2HB SER 34 1HB SER 34 -18.876 -0.290 -8.467 267 HG SER 34 HG SER 34 -18.284 -2.638 -7.539 268 H GLY 35 H GLY 35 -21.890 -0.045 -5.896 269 1HA GLY 35 2HA GLY 35 -22.909 -2.662 -5.004 270 2HA GLY 35 1HA GLY 35 -23.553 -1.095 -4.537 271 H GLU 36 H GLU 36 -25.383 -2.831 -5.263 272 HA GLU 36 HA GLU 36 -26.666 -1.606 -7.443 273 1HB GLU 36 2HB GLU 36 -24.789 -3.299 -8.397 274 2HB GLU 36 1HB GLU 36 -26.132 -4.420 -8.233 275 1HG GLU 36 2HG GLU 36 -27.434 -3.276 -9.792 276 2HG GLU 36 1HG GLU 36 -26.462 -1.811 -9.670 277 H CYS 37 H CYS 37 -28.811 -2.039 -7.425 278 HA CYS 37 HA CYS 37 -29.749 -3.771 -5.295 279 1HB CYS 37 2HB CYS 37 -30.972 -1.598 -6.946 280 2HB CYS 37 1HB CYS 37 -32.018 -2.741 -6.113 281 H PHE 38 H PHE 38 -30.139 -5.838 -5.720 282 HA PHE 38 HA PHE 38 -30.992 -6.624 -8.416 283 1HB PHE 38 2HB PHE 38 -29.683 -8.047 -6.138 284 2HB PHE 38 1HB PHE 38 -30.649 -8.988 -7.267 285 HD1 PHE 38 HD2 PHE 38 -27.797 -6.627 -7.071 286 HD2 PHE 38 HD1 PHE 38 -29.769 -9.656 -9.318 287 HE1 PHE 38 HE2 PHE 38 -25.888 -6.714 -8.619 288 HE2 PHE 38 HE1 PHE 38 -27.862 -9.749 -10.871 289 HZ PHE 38 HZ PHE 38 -25.918 -8.278 -10.521 290 H TYR 39 H TYR 39 -32.924 -7.658 -8.815 291 HA TYR 39 HA TYR 39 -34.961 -7.280 -6.811 292 1HB TYR 39 2HB TYR 39 -35.021 -8.141 -9.691 293 2HB TYR 39 1HB TYR 39 -36.454 -8.246 -8.675 294 HD1 TYR 39 HD1 TYR 39 -33.790 -5.709 -9.387 295 HD2 TYR 39 HD2 TYR 39 -37.938 -6.509 -8.914 296 HE1 TYR 39 HE1 TYR 39 -34.297 -3.351 -9.867 297 HE2 TYR 39 HE2 TYR 39 -38.457 -4.159 -9.392 298 HH TYR 39 HH TYR 39 -36.125 -1.725 -9.412 299 H ASP 40 H ASP 40 -36.745 -9.317 -7.235 300 HA ASP 40 HA ASP 40 -35.612 -11.902 -7.129 301 1HB ASP 40 2HB ASP 40 -36.194 -12.234 -4.622 302 2HB ASP 40 1HB ASP 40 -34.665 -11.473 -5.044 303 H GLU 41 H GLU 41 -37.092 -13.557 -6.680 304 HA GLU 41 HA GLU 41 -39.141 -14.344 -7.548 305 1HB GLU 41 2HB GLU 41 -39.625 -13.441 -4.710 306 2HB GLU 41 1HB GLU 41 -40.561 -14.658 -5.567 307 1HG GLU 41 2HG GLU 41 -38.198 -15.771 -5.880 308 2HG GLU 41 1HG GLU 41 -37.810 -14.809 -4.456 309 H LYS 42 H LYS 42 -40.463 -11.917 -5.345 310 HA LYS 42 HA LYS 42 -42.403 -11.192 -7.392 311 1HB LYS 42 2HB LYS 42 -42.267 -11.045 -4.440 312 2HB LYS 42 1HB LYS 42 -43.146 -9.737 -5.219 313 1HG LYS 42 2HG LYS 42 -44.735 -11.389 -4.700 314 2HG LYS 42 1HG LYS 42 -44.463 -11.496 -6.439 315 1HD LYS 42 2HD LYS 42 -42.649 -13.272 -5.682 316 2HD LYS 42 1HD LYS 42 -43.705 -13.390 -4.273 317 1HE LYS 42 2HE LYS 42 -45.618 -13.744 -5.861 318 2HE LYS 42 1HE LYS 42 -44.431 -13.855 -7.160 319 1HZ LYS 42 1HZ LYS 42 -44.182 -15.578 -4.783 320 2HZ LYS 42 3HZ LYS 42 -45.258 -15.997 -6.020 321 3HZ LYS 42 2HZ LYS 42 -43.607 -15.837 -6.352 322 H ARG 43 H ARG 43 -40.310 -10.247 -8.436 323 HA ARG 43 HA ARG 43 -38.893 -8.488 -8.821 324 1HB ARG 43 2HB ARG 43 -41.632 -7.228 -8.992 325 2HB ARG 43 1HB ARG 43 -40.178 -6.629 -9.780 326 1HG ARG 43 2HG ARG 43 -41.171 -9.401 -10.316 327 2HG ARG 43 1HG ARG 43 -41.869 -8.010 -11.145 328 1HD ARG 43 2HD ARG 43 -39.776 -7.432 -12.115 329 2HD ARG 43 1HD ARG 43 -38.913 -8.583 -11.097 330 HE ARG 43 HE ARG 43 -40.757 -10.029 -12.585 331 1HH1 ARG 43 1HH2 ARG 43 -37.940 -8.055 -13.145 332 2HH1 ARG 43 2HH2 ARG 43 -37.477 -8.898 -14.587 333 1HH2 ARG 43 1HH1 ARG 43 -38.734 -10.652 -15.346 334 2HH2 ARG 43 2HH1 ARG 43 -40.154 -11.142 -14.483 335 H ASN 44 H ASN 44 -38.397 -8.614 -6.333 336 HA ASN 44 HA ASN 44 -39.174 -6.129 -4.996 337 1HB ASN 44 2HB ASN 44 -38.605 -8.774 -4.093 338 2HB ASN 44 1HB ASN 44 -37.374 -7.727 -3.404 339 1HD2 ASN 44 2HD2 ASN 44 -41.130 -7.725 -1.993 340 2HD2 ASN 44 1HD2 ASN 44 -40.596 -8.770 -3.260 341 H LEU 45 H LEU 45 -36.704 -6.050 -3.398 342 HA LEU 45 HA LEU 45 -34.565 -5.634 -5.286 343 1HB LEU 45 2HB LEU 45 -35.877 -3.298 -3.901 344 2HB LEU 45 1HB LEU 45 -34.252 -3.230 -4.554 345 HG LEU 45 HG LEU 45 -35.474 -4.061 -6.760 346 1HD1 LEU 45 1HD1 LEU 45 -37.691 -3.772 -5.154 347 2HD1 LEU 45 3HD1 LEU 45 -37.658 -2.255 -6.045 348 3HD1 LEU 45 2HD1 LEU 45 -37.685 -3.788 -6.913 349 1HD2 LEU 45 1HD2 LEU 45 -34.141 -2.026 -6.529 350 2HD2 LEU 45 3HD2 LEU 45 -35.593 -1.743 -7.488 351 3HD2 LEU 45 2HD2 LEU 45 -35.522 -1.199 -5.812 352 H GLN 46 H GLN 46 -32.566 -5.660 -4.351 353 HA GLN 46 HA GLN 46 -32.356 -5.476 -1.440 354 1HB GLN 46 2HB GLN 46 -31.868 -7.928 -3.069 355 2HB GLN 46 1HB GLN 46 -30.793 -7.610 -1.715 356 1HG GLN 46 2HG GLN 46 -32.483 -7.831 -0.149 357 2HG GLN 46 1HG GLN 46 -33.755 -7.542 -1.336 358 1HE2 GLN 46 2HE2 GLN 46 -32.001 -11.139 -1.972 359 2HE2 GLN 46 1HE2 GLN 46 -31.115 -9.658 -2.054 360 H CYS 47 H CYS 47 -30.555 -4.460 -0.815 361 HA CYS 47 HA CYS 47 -28.842 -3.340 -2.794 362 1HB CYS 47 2HB CYS 47 -29.352 -2.971 0.062 363 2HB CYS 47 1HB CYS 47 -27.659 -2.740 -0.367 364 H ILE 48 H ILE 48 -27.463 -4.669 -3.801 365 HA ILE 48 HA ILE 48 -25.809 -6.502 -2.229 366 HB ILE 48 HB ILE 48 -26.349 -6.266 -5.178 367 1HG1 ILE 48 2HG1 ILE 48 -26.656 -8.470 -3.126 368 2HG1 ILE 48 1HG1 ILE 48 -27.948 -7.572 -3.913 369 1HG2 ILE 48 2HG2 ILE 48 -24.146 -7.833 -3.842 370 2HG2 ILE 48 1HG2 ILE 48 -24.710 -8.140 -5.482 371 3HG2 ILE 48 3HG2 ILE 48 -23.977 -6.590 -5.082 372 1HD1 ILE 48 1HD1 ILE 48 -26.662 -8.619 -6.054 373 2HD1 ILE 48 3HD1 ILE 48 -26.408 -9.878 -4.847 374 3HD1 ILE 48 2HD1 ILE 48 -28.044 -9.361 -5.250 375 H CYS 49 H CYS 49 -23.952 -5.727 -1.458 376 HA CYS 49 HA CYS 49 -22.641 -3.498 -2.845 377 1HB CYS 49 2HB CYS 49 -22.134 -4.745 -0.135 378 2HB CYS 49 1HB CYS 49 -21.197 -3.416 -0.805 379 H ASP 50 H ASP 50 -21.085 -3.911 -4.267 380 HA ASP 50 HA ASP 50 -19.754 -6.516 -4.225 381 1HB ASP 50 2HB ASP 50 -20.796 -5.227 -6.318 382 2HB ASP 50 1HB ASP 50 -19.186 -4.512 -6.363 383 H TYR 51 H TYR 51 -17.930 -6.763 -3.293 384 HA TYR 51 HA TYR 51 -16.175 -4.483 -2.764 385 1HB TYR 51 2HB TYR 51 -16.307 -7.283 -1.642 386 2HB TYR 51 1HB TYR 51 -15.053 -6.122 -1.210 387 HD1 TYR 51 HD2 TYR 51 -18.589 -7.000 -0.887 388 HD2 TYR 51 HD1 TYR 51 -15.561 -4.252 0.256 389 HE1 TYR 51 HE2 TYR 51 -20.058 -6.144 0.884 390 HE2 TYR 51 HE1 TYR 51 -17.015 -3.380 2.037 391 HH TYR 51 HH TYR 51 -19.377 -4.792 3.337 392 H CYS 52 H CYS 52 -15.152 -7.814 -2.934 393 HA CYS 52 HA CYS 52 -13.606 -8.901 -4.187 394 1HB CYS 52 2HB CYS 52 -14.267 -6.905 -6.354 395 2HB CYS 52 1HB CYS 52 -13.566 -8.507 -6.564 396 H GLU 53 H GLU 53 -12.905 -6.510 -2.585 397 HA GLU 53 HA GLU 53 -10.324 -5.897 -3.878 398 1HB GLU 53 2HB GLU 53 -11.836 -3.929 -3.856 399 2HB GLU 53 1HB GLU 53 -11.931 -4.045 -2.104 400 1HG GLU 53 2HG GLU 53 -9.659 -3.465 -1.845 401 2HG GLU 53 1HG GLU 53 -9.333 -3.686 -3.564 402 H TYR 54 HN TYR 54 -11.773 -7.532 -1.460 403 HA TYR 54 HA TYR 54 -10.074 -6.874 0.746 404 1HB TYR 54 2HB TYR 54 -12.164 -8.920 0.183 405 2HB TYR 54 1HB TYR 54 -11.017 -9.272 1.473 406 HD1 TYR 54 HD2 TYR 54 -12.119 -5.860 0.654 407 HD2 TYR 54 HD1 TYR 54 -12.629 -9.191 3.249 408 HE1 TYR 54 HE2 TYR 54 -13.423 -4.453 2.191 409 HE2 TYR 54 HE1 TYR 54 -13.938 -7.795 4.794 410 HH TYR 54 HH TYR 54 -14.430 -5.611 5.336 No H/Q in entry = 410 Start of MODEL 29 1 HN PCA 1 HN PCA 1 -15.318 -15.015 4.864 2 HA PCA 1 HA PCA 1 -17.720 -14.269 4.394 3 1HB PCA 1 1HB PCA 1 -18.434 -12.467 5.562 4 2HB PCA 1 2HB PCA 1 -17.195 -11.440 4.806 5 1HG PCA 1 1HG PCA 1 -17.183 -12.657 7.450 6 2HG PCA 1 2HG PCA 1 -15.994 -11.546 6.743 7 H ASP 2 H ASP 2 -15.450 -14.833 2.858 8 HA ASP 2 HA ASP 2 -14.742 -12.693 1.128 9 1HB ASP 2 2HB ASP 2 -13.256 -14.587 1.362 10 2HB ASP 2 1HB ASP 2 -14.505 -15.689 0.788 11 H LYS 3 H LYS 3 -17.401 -12.476 1.237 12 HA LYS 3 HA LYS 3 -18.639 -13.837 -1.003 13 1HB LYS 3 2HB LYS 3 -19.547 -12.048 1.190 14 2HB LYS 3 1HB LYS 3 -20.491 -12.018 -0.295 15 1HG LYS 3 2HG LYS 3 -19.830 -14.691 0.782 16 2HG LYS 3 1HG LYS 3 -20.964 -13.722 1.725 17 1HD LYS 3 2HD LYS 3 -22.308 -13.400 -0.351 18 2HD LYS 3 1HD LYS 3 -21.220 -14.521 -1.174 19 1HE LYS 3 2HE LYS 3 -21.811 -16.256 0.473 20 2HE LYS 3 1HE LYS 3 -22.940 -15.132 1.228 21 1HZ LYS 3 1HZ LYS 3 -23.124 -15.938 -1.619 22 2HZ LYS 3 3HZ LYS 3 -23.942 -16.744 -0.376 23 3HZ LYS 3 2HZ LYS 3 -24.283 -15.119 -0.700 24 H CYS 4 H CYS 4 -18.681 -13.140 -2.999 25 HA CYS 4 HA CYS 4 -17.404 -10.703 -3.752 26 1HB CYS 4 2HB CYS 4 -18.691 -12.996 -5.143 27 2HB CYS 4 1HB CYS 4 -18.526 -11.494 -6.053 28 H LYS 5 H LYS 5 -20.530 -11.450 -2.736 29 HA LYS 5 HA LYS 5 -21.489 -8.824 -3.590 30 1HB LYS 5 2HB LYS 5 -22.584 -11.437 -4.453 31 2HB LYS 5 1HB LYS 5 -23.784 -10.284 -3.896 32 1HG LYS 5 2HG LYS 5 -23.757 -9.788 -6.115 33 2HG LYS 5 1HG LYS 5 -22.516 -8.669 -5.559 34 1HD LYS 5 2HD LYS 5 -21.429 -9.626 -7.329 35 2HD LYS 5 1HD LYS 5 -20.935 -10.724 -6.044 36 1HE LYS 5 2HE LYS 5 -23.177 -11.959 -6.778 37 2HE LYS 5 1HE LYS 5 -22.798 -11.164 -8.306 38 1HZ LYS 5 2HZ LYS 5 -20.787 -12.761 -6.837 39 2HZ LYS 5 1HZ LYS 5 -21.856 -13.471 -7.939 40 3HZ LYS 5 3HZ LYS 5 -20.767 -12.284 -8.460 41 H LYS 6 H LYS 6 -21.491 -8.018 -1.529 42 HA LYS 6 HA LYS 6 -22.828 -9.531 0.585 43 1HB LYS 6 2HB LYS 6 -21.226 -6.971 0.639 44 2HB LYS 6 1HB LYS 6 -22.000 -7.676 2.054 45 1HG LYS 6 2HG LYS 6 -20.658 -9.763 1.604 46 2HG LYS 6 1HG LYS 6 -19.763 -8.826 0.408 47 1HD LYS 6 2HD LYS 6 -18.742 -7.515 2.000 48 2HD LYS 6 1HD LYS 6 -20.038 -7.742 3.176 49 1HE LYS 6 2HE LYS 6 -19.272 -9.855 3.795 50 2HE LYS 6 1HE LYS 6 -18.312 -10.039 2.328 51 1HZ LYS 6 2HZ LYS 6 -16.843 -8.267 3.164 52 2HZ LYS 6 1HZ LYS 6 -17.732 -8.220 4.602 53 3HZ LYS 6 3HZ LYS 6 -16.875 -9.618 4.183 54 H VAL 7 H VAL 7 -24.974 -9.358 0.587 55 HA VAL 7 HA VAL 7 -26.407 -7.155 -0.439 56 HB VAL 7 HB VAL 7 -28.340 -8.282 0.048 57 1HG1 VAL 7 2HG1 VAL 7 -26.780 -9.682 -1.285 58 2HG1 VAL 7 1HG1 VAL 7 -26.342 -10.531 0.197 59 3HG1 VAL 7 3HG1 VAL 7 -27.997 -10.606 -0.406 60 1HG2 VAL 7 3HG2 VAL 7 -26.937 -9.285 2.503 61 2HG2 VAL 7 2HG2 VAL 7 -28.409 -8.321 2.382 62 3HG2 VAL 7 1HG2 VAL 7 -28.431 -10.024 1.926 63 H TYR 8 H TYR 8 -27.085 -5.303 0.454 64 HA TYR 8 HA TYR 8 -26.145 -4.579 3.060 65 1HB TYR 8 2HB TYR 8 -26.556 -3.106 0.906 66 2HB TYR 8 1HB TYR 8 -28.162 -2.927 1.599 67 HD1 TYR 8 HD1 TYR 8 -27.735 -2.638 4.431 68 HD2 TYR 8 HD2 TYR 8 -25.363 -1.168 1.218 69 HE1 TYR 8 HE1 TYR 8 -26.911 -0.838 5.875 70 HE2 TYR 8 HE2 TYR 8 -24.524 0.638 2.660 71 HH TYR 8 HH TYR 8 -25.497 0.868 6.067 72 H GLU 9 H GLU 9 -27.487 -6.624 3.735 73 HA GLU 9 HA GLU 9 -29.450 -7.552 4.583 74 1HB GLU 9 2HB GLU 9 -29.041 -5.142 6.355 75 2HB GLU 9 1HB GLU 9 -29.765 -6.681 6.809 76 1HG GLU 9 2HG GLU 9 -27.423 -7.608 6.015 77 2HG GLU 9 1HG GLU 9 -26.914 -5.967 6.408 78 H ASN 10 H ASN 10 -31.328 -6.092 6.232 79 HA ASN 10 HA ASN 10 -33.389 -5.697 4.389 80 1HB ASN 10 2HB ASN 10 -33.261 -4.600 7.202 81 2HB ASN 10 1HB ASN 10 -34.714 -4.928 6.260 82 1HD2 ASN 10 2HD2 ASN 10 -34.632 -7.803 8.351 83 2HD2 ASN 10 1HD2 ASN 10 -35.146 -6.155 8.300 84 H TYR 11 H TYR 11 -31.680 -4.181 3.131 85 HA TYR 11 HA TYR 11 -31.319 -1.530 3.791 86 1HB TYR 11 2HB TYR 11 -30.420 -2.764 1.758 87 2HB TYR 11 1HB TYR 11 -31.980 -2.490 0.995 88 HD1 TYR 11 HD2 TYR 11 -28.940 -0.844 2.287 89 HD2 TYR 11 HD1 TYR 11 -32.542 -0.356 0.076 90 HE1 TYR 11 HE2 TYR 11 -28.162 1.356 1.515 91 HE2 TYR 11 HE1 TYR 11 -31.774 1.846 -0.703 92 HH TYR 11 HH TYR 11 -29.104 3.450 0.661 93 HA PRO 12 HA PRO 12 -35.425 0.161 3.998 94 1HB PRO 12 2HB PRO 12 -34.918 2.712 3.023 95 2HB PRO 12 1HB PRO 12 -34.692 2.201 4.698 96 1HG PRO 12 2HG PRO 12 -32.682 2.450 2.508 97 2HG PRO 12 1HG PRO 12 -32.530 2.861 4.225 98 1HD PRO 12 2HD PRO 12 -31.457 0.629 3.223 99 2HD PRO 12 1HD PRO 12 -32.165 0.655 4.847 100 H VAL 13 H VAL 13 -36.354 -1.138 2.404 101 HA VAL 13 HA VAL 13 -36.079 -0.924 -0.336 102 HB VAL 13 HB VAL 13 -38.662 -1.599 1.064 103 1HG1 VAL 13 1HG1 VAL 13 -37.544 -2.148 -1.663 104 2HG1 VAL 13 3HG1 VAL 13 -38.811 -3.157 -0.966 105 3HG1 VAL 13 2HG1 VAL 13 -39.096 -1.436 -1.224 106 1HG2 VAL 13 3HG2 VAL 13 -36.496 -2.814 1.832 107 2HG2 VAL 13 2HG2 VAL 13 -37.928 -3.765 1.445 108 3HG2 VAL 13 1HG2 VAL 13 -36.613 -3.635 0.276 109 H SER 14 H SER 14 -36.173 0.911 -1.385 110 HA SER 14 HA SER 14 -38.592 2.235 -1.896 111 1HB SER 14 2HB SER 14 -37.794 4.505 -0.911 112 2HB SER 14 1HB SER 14 -38.534 3.333 0.179 113 HG SER 14 HG SER 14 -36.724 3.863 1.223 114 H LYS 15 H LYS 15 -35.591 4.005 -1.466 115 HA LYS 15 HA LYS 15 -35.475 4.794 -4.184 116 1HB LYS 15 2HB LYS 15 -33.344 4.871 -2.037 117 2HB LYS 15 1HB LYS 15 -33.245 5.699 -3.584 118 1HG LYS 15 2HG LYS 15 -35.621 6.251 -1.896 119 2HG LYS 15 1HG LYS 15 -34.072 6.910 -1.364 120 1HD LYS 15 2HD LYS 15 -35.007 7.271 -4.191 121 2HD LYS 15 1HD LYS 15 -35.575 8.339 -2.907 122 1HE LYS 15 2HE LYS 15 -33.148 8.746 -2.340 123 2HE LYS 15 1HE LYS 15 -32.743 7.904 -3.833 124 1HZ LYS 15 3HZ LYS 15 -34.587 10.212 -3.812 125 2HZ LYS 15 2HZ LYS 15 -32.912 10.419 -3.915 126 3HZ LYS 15 1HZ LYS 15 -33.732 9.559 -5.118 127 H CYS 16 H CYS 16 -34.371 3.949 -5.903 128 HA CYS 16 HA CYS 16 -32.242 2.085 -5.646 129 1HB CYS 16 2HB CYS 16 -35.012 1.033 -6.094 130 2HB CYS 16 1HB CYS 16 -33.647 0.220 -6.848 131 H GLN 17 H GLN 17 -34.982 2.505 -7.897 132 HA GLN 17 HA GLN 17 -34.015 2.085 -10.298 133 1HB GLN 17 2HB GLN 17 -35.581 4.473 -9.375 134 2HB GLN 17 1HB GLN 17 -35.152 4.287 -11.068 135 1HG GLN 17 2HG GLN 17 -36.289 1.839 -10.058 136 2HG GLN 17 1HG GLN 17 -37.370 3.191 -9.736 137 1HE2 GLN 17 2HE2 GLN 17 -36.628 1.978 -13.563 138 2HE2 GLN 17 1HE2 GLN 17 -35.579 1.524 -12.267 139 H LEU 18 H LEU 18 -33.032 4.863 -8.359 140 HA LEU 18 HA LEU 18 -31.408 6.038 -10.376 141 1HB LEU 18 2HB LEU 18 -31.363 6.379 -7.380 142 2HB LEU 18 1HB LEU 18 -30.469 7.375 -8.512 143 HG LEU 18 HG LEU 18 -33.220 7.370 -9.314 144 1HD1 LEU 18 1HD1 LEU 18 -33.605 6.750 -6.914 145 2HD1 LEU 18 3HD1 LEU 18 -32.882 8.297 -6.472 146 3HD1 LEU 18 2HD1 LEU 18 -34.360 8.256 -7.434 147 1HD2 LEU 18 1HD2 LEU 18 -31.555 9.120 -9.789 148 2HD2 LEU 18 3HD2 LEU 18 -33.023 9.767 -9.054 149 3HD2 LEU 18 2HD2 LEU 18 -31.563 9.569 -8.084 150 H ALA 19 H ALA 19 -29.449 6.035 -7.746 151 HA ALA 19 HA ALA 19 -28.070 3.601 -7.812 152 1HB ALA 19 1HB ALA 19 -27.655 4.508 -10.193 153 2HB ALA 19 3HB ALA 19 -26.568 5.641 -9.393 154 3HB ALA 19 2HB ALA 19 -26.282 3.904 -9.270 155 H ASN 20 H ASN 20 -28.233 6.911 -7.153 156 HA ASN 20 HA ASN 20 -25.885 7.535 -5.953 157 1HB ASN 20 2HB ASN 20 -27.652 9.154 -6.223 158 2HB ASN 20 1HB ASN 20 -28.671 8.289 -5.075 159 1HD2 ASN 20 2HD2 ASN 20 -25.429 9.560 -3.082 160 2HD2 ASN 20 1HD2 ASN 20 -25.382 8.315 -4.278 161 H GLN 21 H GLN 21 -28.170 7.520 -3.450 162 HA GLN 21 HA GLN 21 -26.847 6.702 -1.370 163 1HB GLN 21 2HB GLN 21 -29.606 5.879 -2.184 164 2HB GLN 21 1HB GLN 21 -28.931 5.291 -0.671 165 1HG GLN 21 2HG GLN 21 -29.326 8.170 -1.456 166 2HG GLN 21 1HG GLN 21 -30.279 7.256 -0.288 167 1HE2 GLN 21 2HE2 GLN 21 -26.662 8.814 0.714 168 2HE2 GLN 21 1HE2 GLN 21 -27.208 8.777 -0.925 169 H CYS 22 H CYS 22 -28.381 4.156 -3.362 170 HA CYS 22 HA CYS 22 -27.254 1.987 -2.076 171 1HB CYS 22 2HB CYS 22 -29.025 2.159 -4.007 172 2HB CYS 22 1HB CYS 22 -27.625 1.888 -5.040 173 H ASN 23 H ASN 23 -26.154 2.889 -5.331 174 HA ASN 23 HA ASN 23 -23.774 1.535 -5.304 175 1HB ASN 23 2HB ASN 23 -24.968 2.967 -7.168 176 2HB ASN 23 1HB ASN 23 -23.858 4.221 -6.618 177 1HD2 ASN 23 2HD2 ASN 23 -22.069 0.808 -7.979 178 2HD2 ASN 23 1HD2 ASN 23 -23.388 0.730 -6.866 179 H TYR 24 H TYR 24 -24.188 4.985 -4.486 180 HA TYR 24 HA TYR 24 -21.581 5.546 -3.767 181 1HB TYR 24 2HB TYR 24 -22.856 7.456 -3.796 182 2HB TYR 24 1HB TYR 24 -24.237 6.675 -3.034 183 HD1 TYR 24 HD1 TYR 24 -20.681 7.311 -2.055 184 HD2 TYR 24 HD2 TYR 24 -24.794 7.638 -1.019 185 HE1 TYR 24 HE1 TYR 24 -20.053 8.305 0.103 186 HE2 TYR 24 HE2 TYR 24 -24.178 8.633 1.138 187 HH TYR 24 HH TYR 24 -21.299 8.422 2.508 188 H ASP 25 H ASP 25 -24.216 4.547 -1.566 189 HA ASP 25 HA ASP 25 -22.765 4.385 0.767 190 1HB ASP 25 2HB ASP 25 -25.076 2.689 -0.176 191 2HB ASP 25 1HB ASP 25 -24.422 2.601 1.456 192 H CYS 26 H CYS 26 -23.321 1.674 -1.504 193 HA CYS 26 HA CYS 26 -21.746 -0.149 -0.133 194 1HB CYS 26 2HB CYS 26 -22.332 0.129 -3.080 195 2HB CYS 26 1HB CYS 26 -21.373 -1.203 -2.441 196 H LYS 27 H LYS 27 -20.845 2.172 -2.629 197 HA LYS 27 HA LYS 27 -18.134 1.508 -2.825 198 1HB LYS 27 2HB LYS 27 -19.898 3.429 -3.932 199 2HB LYS 27 1HB LYS 27 -18.527 4.323 -3.302 200 1HG LYS 27 2HG LYS 27 -17.033 3.301 -4.744 201 2HG LYS 27 1HG LYS 27 -18.092 1.919 -5.032 202 1HD LYS 27 2HD LYS 27 -19.358 3.032 -6.576 203 2HD LYS 27 1HD LYS 27 -19.065 4.609 -5.843 204 1HE LYS 27 2HE LYS 27 -17.984 4.165 -8.104 205 2HE LYS 27 1HE LYS 27 -16.941 4.792 -6.827 206 1HZ LYS 27 3HZ LYS 27 -16.185 2.518 -6.410 207 2HZ LYS 27 2HZ LYS 27 -17.146 1.955 -7.683 208 3HZ LYS 27 1HZ LYS 27 -15.857 3.002 -7.998 209 H LEU 28 H LEU 28 -19.412 2.219 0.006 210 HA LEU 28 HA LEU 28 -16.935 3.201 1.062 211 1HB LEU 28 2HB LEU 28 -17.787 5.299 0.258 212 2HB LEU 28 1HB LEU 28 -19.327 5.030 1.052 213 HG LEU 28 HG LEU 28 -16.948 5.036 2.821 214 1HD1 LEU 28 2HD1 LEU 28 -16.397 6.861 1.287 215 2HD1 LEU 28 1HD1 LEU 28 -17.975 7.590 1.591 216 3HD1 LEU 28 3HD1 LEU 28 -16.798 7.457 2.898 217 1HD2 LEU 28 2HD2 LEU 28 -19.721 6.210 2.965 218 2HD2 LEU 28 1HD2 LEU 28 -19.121 4.775 3.797 219 3HD2 LEU 28 3HD2 LEU 28 -18.507 6.369 4.233 220 H ASP 29 H ASP 29 -20.411 2.867 1.775 221 HA ASP 29 HA ASP 29 -20.061 2.502 4.563 222 1HB ASP 29 2HB ASP 29 -22.319 1.744 2.701 223 2HB ASP 29 1HB ASP 29 -22.393 1.531 4.448 224 H LYS 30 H LYS 30 -19.317 0.574 1.943 225 HA LYS 30 HA LYS 30 -18.869 -1.735 3.675 226 1HB LYS 30 2HB LYS 30 -20.318 -1.828 1.025 227 2HB LYS 30 1HB LYS 30 -19.665 -3.248 1.828 228 1HG LYS 30 2HG LYS 30 -21.629 -1.434 3.185 229 2HG LYS 30 1HG LYS 30 -22.143 -2.751 2.128 230 1HD LYS 30 2HD LYS 30 -20.793 -4.307 3.548 231 2HD LYS 30 1HD LYS 30 -20.517 -2.965 4.659 232 1HE LYS 30 2HE LYS 30 -23.305 -3.688 3.861 233 2HE LYS 30 1HE LYS 30 -22.469 -4.641 5.086 234 1HZ LYS 30 2HZ LYS 30 -22.297 -1.790 5.488 235 2HZ LYS 30 1HZ LYS 30 -23.874 -2.398 5.573 236 3HZ LYS 30 3HZ LYS 30 -22.672 -3.018 6.589 237 H HIS 31 H HIS 31 -17.608 0.509 1.789 238 HA HIS 31 HA HIS 31 -15.839 0.709 0.349 239 1HB HIS 31 2HB HIS 31 -13.888 -0.897 1.304 240 2HB HIS 31 1HB HIS 31 -14.378 0.596 2.091 241 HD1 HIS 31 HD1 HIS 31 -14.547 -3.115 2.447 242 HD2 HIS 31 HD2 HIS 31 -15.743 0.284 4.517 243 HE1 HIS 31 HE1 HIS 31 -15.231 -3.922 4.728 244 HE2 HIS 31 HE2 HIS 31 -16.016 -1.858 5.940 245 H ALA 32 H ALA 32 -17.687 -0.877 -0.845 246 HA ALA 32 HA ALA 32 -16.388 -3.299 -1.796 247 1HB ALA 32 2HB ALA 32 -18.826 -3.229 -1.310 248 2HB ALA 32 1HB ALA 32 -19.021 -2.112 -2.660 249 3HB ALA 32 3HB ALA 32 -18.445 -3.753 -2.950 250 H ARG 33 H ARG 33 -17.013 -3.516 -4.383 251 HA ARG 33 HA ARG 33 -15.328 -1.485 -5.628 252 1HB ARG 33 2HB ARG 33 -15.474 -4.233 -5.891 253 2HB ARG 33 1HB ARG 33 -16.307 -3.674 -7.331 254 1HG ARG 33 2HG ARG 33 -14.191 -3.732 -8.146 255 2HG ARG 33 1HG ARG 33 -14.170 -2.098 -7.483 256 1HD ARG 33 2HD ARG 33 -13.330 -3.253 -5.322 257 2HD ARG 33 1HD ARG 33 -12.948 -4.603 -6.388 258 HE ARG 33 HE ARG 33 -11.866 -2.287 -7.507 259 1HH1 ARG 33 1HH2 ARG 33 -11.462 -4.298 -4.695 260 2HH1 ARG 33 2HH2 ARG 33 -9.777 -3.937 -4.517 261 1HH2 ARG 33 2HH1 ARG 33 -9.645 -1.804 -7.282 262 2HH2 ARG 33 1HH1 ARG 33 -8.745 -2.519 -5.987 263 H SER 34 H SER 34 -18.582 -2.528 -5.409 264 HA SER 34 HA SER 34 -19.655 -0.246 -6.616 265 1HB SER 34 2HB SER 34 -20.046 -0.779 -8.792 266 2HB SER 34 1HB SER 34 -18.743 -1.947 -8.566 267 HG SER 34 HG SER 34 -20.839 -2.730 -9.436 268 H GLY 35 H GLY 35 -22.115 -1.134 -7.481 269 1HA GLY 35 2HA GLY 35 -23.362 -3.195 -6.165 270 2HA GLY 35 1HA GLY 35 -23.309 -1.891 -4.989 271 H GLU 36 H GLU 36 -25.709 -2.813 -5.681 272 HA GLU 36 HA GLU 36 -27.093 -0.543 -6.530 273 1HB GLU 36 2HB GLU 36 -26.059 -2.053 -8.700 274 2HB GLU 36 1HB GLU 36 -27.794 -2.342 -8.677 275 1HG GLU 36 2HG GLU 36 -26.631 0.424 -8.557 276 2HG GLU 36 1HG GLU 36 -26.940 -0.407 -10.082 277 H CYS 37 H CYS 37 -29.470 -1.303 -7.266 278 HA CYS 37 HA CYS 37 -30.316 -3.100 -5.143 279 1HB CYS 37 2HB CYS 37 -31.759 -1.201 -6.971 280 2HB CYS 37 1HB CYS 37 -32.638 -2.391 -6.018 281 H PHE 38 H PHE 38 -29.654 -5.106 -5.937 282 HA PHE 38 HA PHE 38 -30.702 -5.994 -8.508 283 1HB PHE 38 2HB PHE 38 -28.745 -7.137 -6.542 284 2HB PHE 38 1HB PHE 38 -29.460 -8.162 -7.778 285 HD1 PHE 38 HD2 PHE 38 -27.369 -5.176 -7.209 286 HD2 PHE 38 HD1 PHE 38 -28.728 -8.075 -10.013 287 HE1 PHE 38 HE2 PHE 38 -25.672 -4.410 -8.818 288 HE2 PHE 38 HE1 PHE 38 -27.034 -7.316 -11.626 289 HZ PHE 38 HZ PHE 38 -25.505 -5.481 -11.031 290 H TYR 39 H TYR 39 -31.852 -8.054 -8.678 291 HA TYR 39 HA TYR 39 -33.911 -8.248 -6.657 292 1HB TYR 39 2HB TYR 39 -33.536 -9.705 -9.276 293 2HB TYR 39 1HB TYR 39 -34.940 -9.877 -8.228 294 HD1 TYR 39 HD1 TYR 39 -32.974 -7.119 -9.821 295 HD2 TYR 39 HD2 TYR 39 -36.802 -8.666 -8.803 296 HE1 TYR 39 HE1 TYR 39 -34.037 -5.198 -10.931 297 HE2 TYR 39 HE2 TYR 39 -37.878 -6.751 -9.912 298 HH TYR 39 HH TYR 39 -37.093 -5.082 -11.886 299 H ASP 40 H ASP 40 -34.651 -10.450 -5.948 300 HA ASP 40 HA ASP 40 -32.370 -12.257 -5.470 301 1HB ASP 40 2HB ASP 40 -33.451 -12.656 -3.182 302 2HB ASP 40 1HB ASP 40 -32.586 -11.138 -3.407 303 H GLU 41 H GLU 41 -33.513 -14.264 -4.149 304 HA GLU 41 HA GLU 41 -34.850 -15.692 -6.151 305 1HB GLU 41 2HB GLU 41 -34.807 -17.496 -4.709 306 2HB GLU 41 1HB GLU 41 -33.505 -16.505 -4.064 307 1HG GLU 41 2HG GLU 41 -35.312 -15.542 -2.502 308 2HG GLU 41 1HG GLU 41 -36.244 -16.966 -2.961 309 H LYS 42 H LYS 42 -36.076 -13.187 -4.493 310 HA LYS 42 HA LYS 42 -38.747 -14.320 -4.117 311 1HB LYS 42 2HB LYS 42 -37.276 -12.337 -2.761 312 2HB LYS 42 1HB LYS 42 -38.580 -11.477 -3.565 313 1HG LYS 42 2HG LYS 42 -38.964 -13.873 -1.782 314 2HG LYS 42 1HG LYS 42 -39.116 -12.194 -1.260 315 1HD LYS 42 2HD LYS 42 -40.742 -13.442 -3.477 316 2HD LYS 42 1HD LYS 42 -41.289 -13.291 -1.807 317 1HE LYS 42 2HE LYS 42 -40.556 -10.742 -2.291 318 2HE LYS 42 1HE LYS 42 -41.033 -11.235 -3.915 319 1HZ LYS 42 2HZ LYS 42 -43.101 -12.151 -2.620 320 2HZ LYS 42 1HZ LYS 42 -42.662 -10.966 -1.497 321 3HZ LYS 42 3HZ LYS 42 -43.019 -10.530 -3.092 322 H ARG 43 H ARG 43 -37.423 -11.352 -5.517 323 HA ARG 43 HA ARG 43 -37.805 -11.143 -8.013 324 1HB ARG 43 2HB ARG 43 -40.550 -11.729 -7.062 325 2HB ARG 43 1HB ARG 43 -40.431 -10.370 -8.142 326 1HG ARG 43 2HG ARG 43 -40.912 -12.370 -9.392 327 2HG ARG 43 1HG ARG 43 -39.324 -11.738 -9.819 328 1HD ARG 43 2HD ARG 43 -38.435 -13.427 -8.082 329 2HD ARG 43 1HD ARG 43 -40.023 -14.181 -8.231 330 HE ARG 43 HE ARG 43 -39.531 -14.494 -10.601 331 1HH1 ARG 43 1HH2 ARG 43 -36.832 -13.828 -8.481 332 2HH1 ARG 43 2HH2 ARG 43 -35.682 -14.618 -9.504 333 1HH2 ARG 43 2HH1 ARG 43 -38.013 -15.539 -11.932 334 2HH2 ARG 43 1HH1 ARG 43 -36.348 -15.586 -11.458 335 H ASN 44 H ASN 44 -37.758 -9.772 -5.128 336 HA ASN 44 HA ASN 44 -38.710 -7.126 -5.881 337 1HB ASN 44 2HB ASN 44 -37.267 -7.726 -3.320 338 2HB ASN 44 1HB ASN 44 -38.522 -6.531 -3.632 339 1HD2 ASN 44 2HD2 ASN 44 -40.028 -9.211 -1.646 340 2HD2 ASN 44 1HD2 ASN 44 -38.770 -8.044 -1.453 341 H LEU 45 H LEU 45 -36.550 -6.071 -3.975 342 HA LEU 45 HA LEU 45 -34.173 -6.259 -5.642 343 1HB LEU 45 2HB LEU 45 -34.856 -3.467 -4.992 344 2HB LEU 45 1HB LEU 45 -34.154 -4.146 -6.450 345 HG LEU 45 HG LEU 45 -37.079 -4.451 -5.823 346 1HD1 LEU 45 1HD1 LEU 45 -35.627 -2.099 -6.943 347 2HD1 LEU 45 3HD1 LEU 45 -37.244 -2.493 -7.525 348 3HD1 LEU 45 2HD1 LEU 45 -36.981 -2.156 -5.814 349 1HD2 LEU 45 3HD2 LEU 45 -35.396 -5.443 -7.865 350 2HD2 LEU 45 2HD2 LEU 45 -37.151 -5.544 -7.751 351 3HD2 LEU 45 1HD2 LEU 45 -36.404 -4.195 -8.602 352 H GLN 46 H GLN 46 -32.263 -5.607 -4.616 353 HA GLN 46 HA GLN 46 -32.398 -4.649 -1.874 354 1HB GLN 46 2HB GLN 46 -31.324 -7.360 -2.641 355 2HB GLN 46 1HB GLN 46 -30.803 -6.536 -1.178 356 1HG GLN 46 2HG GLN 46 -32.498 -7.957 -0.467 357 2HG GLN 46 1HG GLN 46 -33.278 -6.381 -0.590 358 1HE2 GLN 46 2HE2 GLN 46 -34.061 -8.985 -3.648 359 2HE2 GLN 46 1HE2 GLN 46 -32.448 -8.769 -3.067 360 H CYS 47 H CYS 47 -30.660 -3.444 -1.319 361 HA CYS 47 HA CYS 47 -28.882 -2.584 -3.338 362 1HB CYS 47 2HB CYS 47 -29.365 -1.978 -0.491 363 2HB CYS 47 1HB CYS 47 -27.715 -1.688 -1.032 364 H ILE 48 H ILE 48 -27.811 -4.447 -4.100 365 HA ILE 48 HA ILE 48 -26.149 -5.945 -2.268 366 HB ILE 48 HB ILE 48 -26.404 -6.214 -5.263 367 1HG1 ILE 48 2HG1 ILE 48 -27.803 -7.565 -2.960 368 2HG1 ILE 48 1HG1 ILE 48 -28.522 -6.729 -4.328 369 1HG2 ILE 48 3HG2 ILE 48 -24.383 -7.223 -3.678 370 2HG2 ILE 48 2HG2 ILE 48 -25.530 -8.555 -3.723 371 3HG2 ILE 48 1HG2 ILE 48 -24.895 -7.889 -5.226 372 1HD1 ILE 48 3HD1 ILE 48 -27.256 -8.659 -5.651 373 2HD1 ILE 48 2HD1 ILE 48 -27.497 -9.486 -4.113 374 3HD1 ILE 48 1HD1 ILE 48 -28.884 -8.853 -4.999 375 H CYS 49 H CYS 49 -24.127 -5.513 -1.793 376 HA CYS 49 HA CYS 49 -22.681 -3.508 -3.359 377 1HB CYS 49 2HB CYS 49 -21.944 -4.823 -0.730 378 2HB CYS 49 1HB CYS 49 -21.095 -3.480 -1.486 379 H ASP 50 H ASP 50 -21.577 -4.295 -5.034 380 HA ASP 50 HA ASP 50 -20.568 -7.022 -4.972 381 1HB ASP 50 2HB ASP 50 -20.500 -5.010 -7.225 382 2HB ASP 50 1HB ASP 50 -20.160 -6.733 -7.347 383 H TYR 51 H TYR 51 -18.559 -7.602 -4.727 384 HA TYR 51 HA TYR 51 -16.500 -5.544 -4.413 385 1HB TYR 51 2HB TYR 51 -16.776 -8.376 -3.476 386 2HB TYR 51 1HB TYR 51 -15.216 -7.568 -3.453 387 HD1 TYR 51 HD2 TYR 51 -18.732 -6.785 -2.423 388 HD2 TYR 51 HD1 TYR 51 -14.599 -6.701 -1.417 389 HE1 TYR 51 HE2 TYR 51 -19.289 -5.798 -0.241 390 HE2 TYR 51 HE1 TYR 51 -15.145 -5.716 0.769 391 HH TYR 51 HH TYR 51 -17.161 -5.671 2.316 392 H CYS 52 H CYS 52 -17.191 -8.600 -6.043 393 HA CYS 52 HA CYS 52 -14.831 -8.230 -7.764 394 1HB CYS 52 2HB CYS 52 -16.351 -10.778 -7.870 395 2HB CYS 52 1HB CYS 52 -14.613 -10.497 -7.884 396 H GLU 53 H GLU 53 -16.808 -6.540 -8.445 397 HA GLU 53 HA GLU 53 -18.645 -7.660 -10.328 398 1HB GLU 53 2HB GLU 53 -18.888 -5.460 -9.031 399 2HB GLU 53 1HB GLU 53 -17.799 -4.771 -10.226 400 1HG GLU 53 2HG GLU 53 -19.781 -4.247 -11.199 401 2HG GLU 53 1HG GLU 53 -19.545 -5.847 -11.898 402 H TYR 54 HN TYR 54 -17.523 -8.813 -11.868 403 HA TYR 54 HA TYR 54 -16.244 -7.214 -13.922 404 1HB TYR 54 2HB TYR 54 -14.804 -9.441 -12.477 405 2HB TYR 54 1HB TYR 54 -14.283 -8.788 -14.027 406 HD1 TYR 54 HD1 TYR 54 -14.045 -6.143 -14.055 407 HD2 TYR 54 HD2 TYR 54 -13.855 -8.564 -10.563 408 HE1 TYR 54 HE1 TYR 54 -12.816 -4.363 -12.897 409 HE2 TYR 54 HE2 TYR 54 -12.620 -6.788 -9.393 410 HH TYR 54 HH TYR 54 -12.383 -3.627 -10.578 No H/Q in entry = 410 Start of MODEL 30 1 HN PCA 1 HN PCA 1 -10.598 -15.459 -5.710 2 HA PCA 1 HA PCA 1 -10.762 -17.995 -5.370 3 1HB PCA 1 1HB PCA 1 -8.889 -19.017 -4.614 4 2HB PCA 1 2HB PCA 1 -8.903 -18.037 -3.130 5 1HG PCA 1 1HG PCA 1 -7.316 -17.670 -5.552 6 2HG PCA 1 2HG PCA 1 -7.214 -16.784 -4.019 7 H ASP 2 H ASP 2 -11.874 -15.423 -4.358 8 HA ASP 2 HA ASP 2 -13.292 -16.522 -2.095 9 1HB ASP 2 2HB ASP 2 -12.814 -14.330 -0.781 10 2HB ASP 2 1HB ASP 2 -11.610 -15.617 -0.756 11 H LYS 3 H LYS 3 -15.221 -15.379 -1.598 12 HA LYS 3 HA LYS 3 -16.450 -14.145 -3.834 13 1HB LYS 3 2HB LYS 3 -17.346 -14.356 -0.956 14 2HB LYS 3 1HB LYS 3 -18.358 -13.771 -2.271 15 1HG LYS 3 2HG LYS 3 -18.180 -15.936 -3.382 16 2HG LYS 3 1HG LYS 3 -17.149 -16.523 -2.075 17 1HD LYS 3 2HD LYS 3 -18.960 -16.237 -0.484 18 2HD LYS 3 1HD LYS 3 -19.991 -15.560 -1.748 19 1HE LYS 3 2HE LYS 3 -20.399 -17.983 -1.189 20 2HE LYS 3 1HE LYS 3 -20.103 -17.631 -2.891 21 1HZ LYS 3 1HZ LYS 3 -17.800 -18.333 -2.584 22 2HZ LYS 3 3HZ LYS 3 -18.115 -18.704 -0.964 23 3HZ LYS 3 2HZ LYS 3 -18.878 -19.577 -2.194 24 H CYS 4 H CYS 4 -17.578 -12.017 -3.726 25 HA CYS 4 HA CYS 4 -16.354 -10.019 -2.030 26 1HB CYS 4 2HB CYS 4 -15.716 -10.320 -4.919 27 2HB CYS 4 1HB CYS 4 -15.940 -8.687 -4.314 28 H LYS 5 H LYS 5 -18.974 -10.817 -2.019 29 HA LYS 5 HA LYS 5 -20.295 -8.363 -2.857 30 1HB LYS 5 2HB LYS 5 -22.271 -10.034 -3.602 31 2HB LYS 5 1HB LYS 5 -21.090 -9.387 -4.721 32 1HG LYS 5 2HG LYS 5 -21.020 -11.583 -5.304 33 2HG LYS 5 1HG LYS 5 -19.767 -11.585 -4.069 34 1HD LYS 5 2HD LYS 5 -21.218 -13.468 -3.712 35 2HD LYS 5 1HD LYS 5 -21.471 -12.303 -2.411 36 1HE LYS 5 2HE LYS 5 -23.493 -13.442 -3.739 37 2HE LYS 5 1HE LYS 5 -23.588 -11.810 -3.082 38 1HZ LYS 5 3HZ LYS 5 -22.732 -12.397 -5.860 39 2HZ LYS 5 2HZ LYS 5 -24.332 -12.052 -5.435 40 3HZ LYS 5 1HZ LYS 5 -23.125 -10.890 -5.198 41 H LYS 6 H LYS 6 -21.902 -7.712 -1.501 42 HA LYS 6 HA LYS 6 -22.917 -9.593 0.497 43 1HB LYS 6 2HB LYS 6 -21.978 -6.910 1.450 44 2HB LYS 6 1HB LYS 6 -22.269 -8.374 2.375 45 1HG LYS 6 2HG LYS 6 -20.026 -8.229 0.395 46 2HG LYS 6 1HG LYS 6 -19.855 -7.585 2.025 47 1HD LYS 6 2HD LYS 6 -20.186 -9.696 3.010 48 2HD LYS 6 1HD LYS 6 -20.809 -10.388 1.511 49 1HE LYS 6 2HE LYS 6 -18.713 -10.587 0.577 50 2HE LYS 6 1HE LYS 6 -18.033 -9.300 1.573 51 1HZ LYS 6 3HZ LYS 6 -18.503 -10.961 3.485 52 2HZ LYS 6 2HZ LYS 6 -18.507 -12.120 2.254 53 3HZ LYS 6 1HZ LYS 6 -17.131 -11.171 2.517 54 H VAL 7 H VAL 7 -25.057 -9.458 0.368 55 HA VAL 7 HA VAL 7 -26.429 -7.253 -0.756 56 HB VAL 7 HB VAL 7 -28.439 -8.360 -0.334 57 1HG1 VAL 7 3HG1 VAL 7 -26.281 -10.433 -0.609 58 2HG1 VAL 7 2HG1 VAL 7 -28.001 -10.753 -0.838 59 3HG1 VAL 7 1HG1 VAL 7 -27.166 -9.616 -1.898 60 1HG2 VAL 7 1HG2 VAL 7 -27.017 -9.612 1.987 61 2HG2 VAL 7 3HG2 VAL 7 -28.510 -8.673 1.968 62 3HG2 VAL 7 2HG2 VAL 7 -28.495 -10.319 1.333 63 H TYR 8 H TYR 8 -27.124 -5.420 0.129 64 HA TYR 8 HA TYR 8 -26.688 -4.997 2.967 65 1HB TYR 8 2HB TYR 8 -26.274 -3.328 0.939 66 2HB TYR 8 1HB TYR 8 -27.960 -2.927 1.232 67 HD1 TYR 8 HD1 TYR 8 -28.209 -3.037 4.122 68 HD2 TYR 8 HD2 TYR 8 -25.000 -1.575 1.739 69 HE1 TYR 8 HE1 TYR 8 -27.521 -1.560 5.963 70 HE2 TYR 8 HE2 TYR 8 -24.303 -0.096 3.575 71 HH TYR 8 HH TYR 8 -24.642 0.498 5.692 72 H GLU 9 H GLU 9 -28.294 -6.528 3.656 73 HA GLU 9 HA GLU 9 -30.972 -6.441 2.956 74 1HB GLU 9 2HB GLU 9 -31.156 -7.310 5.509 75 2HB GLU 9 1HB GLU 9 -30.640 -8.328 4.174 76 1HG GLU 9 2HG GLU 9 -28.322 -7.931 4.714 77 2HG GLU 9 1HG GLU 9 -28.786 -6.807 5.991 78 H ASN 10 H ASN 10 -29.714 -5.305 6.022 79 HA ASN 10 HA ASN 10 -31.869 -3.752 6.789 80 1HB ASN 10 2HB ASN 10 -30.015 -4.299 8.307 81 2HB ASN 10 1HB ASN 10 -28.942 -3.252 7.382 82 1HD2 ASN 10 2HD2 ASN 10 -30.003 -1.318 10.281 83 2HD2 ASN 10 1HD2 ASN 10 -29.061 -2.728 9.951 84 H TYR 11 H TYR 11 -32.643 -2.712 4.938 85 HA TYR 11 HA TYR 11 -31.825 -0.044 4.576 86 1HB TYR 11 2HB TYR 11 -30.016 -1.461 3.332 87 2HB TYR 11 1HB TYR 11 -31.265 -1.656 2.110 88 HD1 TYR 11 HD1 TYR 11 -32.492 0.754 1.598 89 HD2 TYR 11 HD2 TYR 11 -28.475 0.177 2.879 90 HE1 TYR 11 HE1 TYR 11 -31.871 2.920 0.615 91 HE2 TYR 11 HE2 TYR 11 -27.845 2.341 1.900 92 HH TYR 11 HH TYR 11 -29.143 3.834 -0.246 93 HA PRO 12 HA PRO 12 -36.272 -0.810 3.604 94 1HB PRO 12 2HB PRO 12 -35.968 2.163 3.416 95 2HB PRO 12 1HB PRO 12 -37.264 1.210 4.149 96 1HG PRO 12 2HG PRO 12 -35.411 2.354 5.669 97 2HG PRO 12 1HG PRO 12 -36.013 0.730 6.046 98 1HD PRO 12 2HD PRO 12 -33.414 1.563 4.870 99 2HD PRO 12 1HD PRO 12 -33.790 0.178 5.914 100 H VAL 13 H VAL 13 -35.275 -1.738 1.583 101 HA VAL 13 HA VAL 13 -34.416 -1.110 -0.681 102 HB VAL 13 HB VAL 13 -37.347 -1.808 -0.743 103 1HG1 VAL 13 1HG1 VAL 13 -35.041 -2.345 -2.605 104 2HG1 VAL 13 3HG1 VAL 13 -36.614 -3.132 -2.738 105 3HG1 VAL 13 2HG1 VAL 13 -36.483 -1.383 -2.924 106 1HG2 VAL 13 2HG2 VAL 13 -36.143 -3.199 0.902 107 2HG2 VAL 13 1HG2 VAL 13 -36.713 -4.127 -0.484 108 3HG2 VAL 13 3HG2 VAL 13 -35.011 -3.678 -0.363 109 H SER 14 H SER 14 -37.700 0.147 -0.141 110 HA SER 14 HA SER 14 -38.807 1.765 -1.396 111 1HB SER 14 2HB SER 14 -38.246 3.919 -0.487 112 2HB SER 14 1HB SER 14 -37.974 2.721 0.777 113 HG SER 14 HG SER 14 -36.278 4.426 0.250 114 H LYS 15 H LYS 15 -35.819 3.532 -1.530 115 HA LYS 15 HA LYS 15 -36.134 4.098 -4.291 116 1HB LYS 15 2HB LYS 15 -34.084 4.720 -2.217 117 2HB LYS 15 1HB LYS 15 -33.654 4.949 -3.906 118 1HG LYS 15 2HG LYS 15 -34.502 6.996 -2.829 119 2HG LYS 15 1HG LYS 15 -35.467 6.491 -4.217 120 1HD LYS 15 2HD LYS 15 -37.175 5.610 -2.806 121 2HD LYS 15 1HD LYS 15 -36.169 5.805 -1.370 122 1HE LYS 15 2HE LYS 15 -36.819 8.195 -3.028 123 2HE LYS 15 1HE LYS 15 -38.049 7.544 -1.945 124 1HZ LYS 15 3HZ LYS 15 -36.477 7.769 -0.110 125 2HZ LYS 15 2HZ LYS 15 -35.326 8.432 -1.157 126 3HZ LYS 15 1HZ LYS 15 -36.770 9.259 -0.856 127 H CYS 16 H CYS 16 -34.638 3.639 -6.001 128 HA CYS 16 HA CYS 16 -32.619 1.680 -5.826 129 1HB CYS 16 2HB CYS 16 -35.373 0.735 -6.429 130 2HB CYS 16 1HB CYS 16 -34.072 0.068 -7.410 131 H GLN 17 H GLN 17 -35.040 3.295 -7.796 132 HA GLN 17 HA GLN 17 -33.487 3.072 -10.214 133 1HB GLN 17 2HB GLN 17 -36.172 3.727 -9.534 134 2HB GLN 17 1HB GLN 17 -35.522 5.105 -10.401 135 1HG GLN 17 2HG GLN 17 -36.451 3.790 -12.062 136 2HG GLN 17 1HG GLN 17 -34.733 3.401 -12.138 137 1HE2 GLN 17 1HE2 GLN 17 -37.003 1.836 -13.038 138 2HE2 GLN 17 2HE2 GLN 17 -36.932 0.335 -12.185 139 H LEU 18 H LEU 18 -31.793 4.047 -8.460 140 HA LEU 18 HA LEU 18 -31.104 6.643 -9.486 141 1HB LEU 18 2HB LEU 18 -32.231 6.295 -6.753 142 2HB LEU 18 1HB LEU 18 -30.844 7.353 -6.897 143 HG LEU 18 HG LEU 18 -33.479 7.691 -8.326 144 1HD1 LEU 18 1HD1 LEU 18 -33.580 8.160 -5.932 145 2HD1 LEU 18 3HD1 LEU 18 -32.220 9.272 -6.094 146 3HD1 LEU 18 2HD1 LEU 18 -33.751 9.629 -6.893 147 1HD2 LEU 18 1HD2 LEU 18 -30.838 9.031 -8.595 148 2HD2 LEU 18 3HD2 LEU 18 -32.060 8.687 -9.818 149 3HD2 LEU 18 2HD2 LEU 18 -32.289 10.027 -8.697 150 H ALA 19 H ALA 19 -29.167 5.758 -10.131 151 HA ALA 19 HA ALA 19 -27.526 4.002 -8.739 152 1HB ALA 19 3HB ALA 19 -27.012 6.060 -10.847 153 2HB ALA 19 2HB ALA 19 -25.667 5.186 -10.114 154 3HB ALA 19 1HB ALA 19 -26.939 4.301 -10.956 155 H ASN 20 H ASN 20 -27.752 4.782 -6.530 156 HA ASN 20 HA ASN 20 -25.477 6.333 -5.750 157 1HB ASN 20 2HB ASN 20 -28.077 7.627 -5.973 158 2HB ASN 20 1HB ASN 20 -27.457 7.723 -4.329 159 1HD2 ASN 20 2HD2 ASN 20 -24.544 9.596 -5.330 160 2HD2 ASN 20 1HD2 ASN 20 -24.974 8.235 -4.356 161 H GLN 21 H GLN 21 -28.585 5.952 -4.101 162 HA GLN 21 HA GLN 21 -28.056 5.311 -1.644 163 1HB GLN 21 2HB GLN 21 -29.920 3.955 -3.535 164 2HB GLN 21 1HB GLN 21 -29.724 3.254 -1.935 165 1HG GLN 21 2HG GLN 21 -31.597 4.704 -1.862 166 2HG GLN 21 1HG GLN 21 -30.288 5.482 -0.969 167 1HE2 GLN 21 2HE2 GLN 21 -29.933 8.175 -3.179 168 2HE2 GLN 21 1HE2 GLN 21 -29.187 7.229 -1.941 169 H CYS 22 H CYS 22 -28.421 2.315 -3.452 170 HA CYS 22 HA CYS 22 -26.728 0.825 -1.815 171 1HB CYS 22 2HB CYS 22 -27.057 0.070 -4.688 172 2HB CYS 22 1HB CYS 22 -27.117 -0.947 -3.256 173 H ASN 23 H ASN 23 -26.081 2.152 -5.051 174 HA ASN 23 HA ASN 23 -23.478 1.284 -5.350 175 1HB ASN 23 2HB ASN 23 -25.192 2.770 -6.860 176 2HB ASN 23 1HB ASN 23 -24.022 4.002 -6.392 177 1HD2 ASN 23 2HD2 ASN 23 -21.419 1.647 -7.832 178 2HD2 ASN 23 1HD2 ASN 23 -21.879 1.980 -6.201 179 H TYR 24 H TYR 24 -24.169 4.698 -4.667 180 HA TYR 24 HA TYR 24 -21.675 5.428 -3.813 181 1HB TYR 24 2HB TYR 24 -22.990 7.273 -4.071 182 2HB TYR 24 1HB TYR 24 -24.411 6.491 -3.396 183 HD1 TYR 24 HD2 TYR 24 -21.016 7.444 -2.141 184 HD2 TYR 24 HD1 TYR 24 -25.223 7.515 -1.511 185 HE1 TYR 24 HE2 TYR 24 -20.673 8.660 -0.032 186 HE2 TYR 24 HE1 TYR 24 -24.891 8.731 0.600 187 HH TYR 24 HH TYR 24 -21.678 9.307 1.907 188 H ASP 25 H ASP 25 -24.363 4.530 -1.609 189 HA ASP 25 HA ASP 25 -22.946 4.670 0.757 190 1HB ASP 25 2HB ASP 25 -25.091 2.637 0.116 191 2HB ASP 25 1HB ASP 25 -24.606 3.173 1.721 192 H CYS 26 H CYS 26 -23.440 1.700 -1.185 193 HA CYS 26 HA CYS 26 -21.885 0.005 0.335 194 1HB CYS 26 2HB CYS 26 -22.244 0.107 -2.664 195 2HB CYS 26 1HB CYS 26 -21.427 -1.212 -1.835 196 H LYS 27 H LYS 27 -20.822 1.994 -2.418 197 HA LYS 27 HA LYS 27 -18.102 1.352 -2.216 198 1HB LYS 27 2HB LYS 27 -19.706 2.921 -3.900 199 2HB LYS 27 1HB LYS 27 -18.499 4.029 -3.265 200 1HG LYS 27 2HG LYS 27 -16.716 2.685 -4.102 201 2HG LYS 27 1HG LYS 27 -17.827 1.383 -4.530 202 1HD LYS 27 2HD LYS 27 -18.705 2.554 -6.335 203 2HD LYS 27 1HD LYS 27 -18.165 4.114 -5.711 204 1HE LYS 27 2HE LYS 27 -16.012 3.818 -6.454 205 2HE LYS 27 1HE LYS 27 -16.122 2.060 -6.405 206 1HZ LYS 27 3HZ LYS 27 -17.689 2.247 -8.326 207 2HZ LYS 27 2HZ LYS 27 -17.278 3.884 -8.436 208 3HZ LYS 27 1HZ LYS 27 -16.095 2.697 -8.667 209 H LEU 28 H LEU 28 -19.530 2.423 0.351 210 HA LEU 28 HA LEU 28 -17.193 3.778 1.319 211 1HB LEU 28 2HB LEU 28 -18.489 5.553 0.082 212 2HB LEU 28 1HB LEU 28 -19.735 5.387 1.304 213 HG LEU 28 HG LEU 28 -16.939 5.956 2.194 214 1HD1 LEU 28 2HD1 LEU 28 -17.375 7.532 0.338 215 2HD1 LEU 28 1HD1 LEU 28 -18.815 8.090 1.191 216 3HD1 LEU 28 3HD1 LEU 28 -17.220 8.326 1.904 217 1HD2 LEU 28 3HD2 LEU 28 -19.699 6.656 3.186 218 2HD2 LEU 28 2HD2 LEU 28 -18.529 5.559 3.920 219 3HD2 LEU 28 1HD2 LEU 28 -18.213 7.293 3.889 220 H ASP 29 H ASP 29 -20.603 2.983 1.968 221 HA ASP 29 HA ASP 29 -20.385 3.217 4.785 222 1HB ASP 29 2HB ASP 29 -22.376 2.057 2.900 223 2HB ASP 29 1HB ASP 29 -22.447 1.522 4.575 224 H LYS 30 H LYS 30 -19.969 0.513 2.552 225 HA LYS 30 HA LYS 30 -19.000 -1.138 4.802 226 1HB LYS 30 2HB LYS 30 -19.757 -2.284 2.139 227 2HB LYS 30 1HB LYS 30 -19.740 -3.059 3.716 228 1HG LYS 30 2HG LYS 30 -21.684 -1.659 4.362 229 2HG LYS 30 1HG LYS 30 -21.737 -1.047 2.710 230 1HD LYS 30 2HD LYS 30 -23.253 -2.764 2.567 231 2HD LYS 30 1HD LYS 30 -21.773 -3.599 2.096 232 1HE LYS 30 2HE LYS 30 -23.274 -4.772 3.775 233 2HE LYS 30 1HE LYS 30 -21.568 -4.637 4.191 234 1HZ LYS 30 2HZ LYS 30 -23.258 -2.474 5.127 235 2HZ LYS 30 1HZ LYS 30 -23.558 -3.980 5.837 236 3HZ LYS 30 3HZ LYS 30 -22.012 -3.296 5.921 237 H HIS 31 H HIS 31 -17.702 0.900 2.866 238 HA HIS 31 HA HIS 31 -15.743 1.170 1.738 239 1HB HIS 31 2HB HIS 31 -14.724 -1.243 3.227 240 2HB HIS 31 1HB HIS 31 -13.825 0.174 2.696 241 HD1 HIS 31 HD1 HIS 31 -14.599 -1.203 5.694 242 HD2 HIS 31 HD2 HIS 31 -15.450 2.548 4.122 243 HE1 HIS 31 HE1 HIS 31 -14.990 0.286 7.682 244 HE2 HIS 31 HE2 HIS 31 -15.508 2.551 6.708 245 H ALA 32 H ALA 32 -17.601 -0.226 0.264 246 HA ALA 32 HA ALA 32 -16.318 -2.577 -0.853 247 1HB ALA 32 2HB ALA 32 -18.872 -2.118 -0.512 248 2HB ALA 32 1HB ALA 32 -18.726 -1.317 -2.078 249 3HB ALA 32 3HB ALA 32 -18.305 -3.022 -1.916 250 H ARG 33 H ARG 33 -17.283 -2.126 -3.543 251 HA ARG 33 HA ARG 33 -15.676 0.120 -4.501 252 1HB ARG 33 2HB ARG 33 -15.052 -2.750 -4.875 253 2HB ARG 33 1HB ARG 33 -14.902 -1.742 -6.308 254 1HG ARG 33 2HG ARG 33 -13.228 -0.428 -5.355 255 2HG ARG 33 1HG ARG 33 -13.606 -0.973 -3.719 256 1HD ARG 33 2HD ARG 33 -11.566 -2.024 -4.456 257 2HD ARG 33 1HD ARG 33 -12.836 -3.239 -4.337 258 HE ARG 33 HE ARG 33 -12.789 -3.494 -6.637 259 1HH1 ARG 33 1HH2 ARG 33 -10.786 -0.820 -5.662 260 2HH1 ARG 33 2HH2 ARG 33 -10.011 -0.670 -7.204 261 1HH2 ARG 33 2HH1 ARG 33 -11.775 -3.307 -8.670 262 2HH2 ARG 33 1HH1 ARG 33 -10.575 -2.082 -8.916 263 H SER 34 H SER 34 -18.479 -1.588 -4.571 264 HA SER 34 HA SER 34 -19.593 -0.114 -6.686 265 1HB SER 34 2HB SER 34 -20.099 -2.275 -8.095 266 2HB SER 34 1HB SER 34 -18.580 -1.408 -8.322 267 HG SER 34 HG SER 34 -18.325 -3.198 -6.337 268 H GLY 35 H GLY 35 -21.781 -1.320 -7.396 269 1HA GLY 35 2HA GLY 35 -23.154 -3.145 -5.984 270 2HA GLY 35 1HA GLY 35 -23.175 -1.766 -4.893 271 H GLU 36 H GLU 36 -25.545 -2.752 -5.776 272 HA GLU 36 HA GLU 36 -26.797 -0.501 -6.860 273 1HB GLU 36 2HB GLU 36 -25.535 -2.042 -8.839 274 2HB GLU 36 1HB GLU 36 -27.243 -2.430 -8.982 275 1HG GLU 36 2HG GLU 36 -27.726 0.001 -9.111 276 2HG GLU 36 1HG GLU 36 -25.989 0.302 -9.114 277 H CYS 37 H CYS 37 -29.106 -1.123 -7.691 278 HA CYS 37 HA CYS 37 -30.230 -2.867 -5.663 279 1HB CYS 37 2HB CYS 37 -31.210 -0.692 -7.403 280 2HB CYS 37 1HB CYS 37 -32.377 -1.978 -7.112 281 H PHE 38 H PHE 38 -31.092 -4.860 -6.023 282 HA PHE 38 HA PHE 38 -31.622 -5.705 -8.769 283 1HB PHE 38 2HB PHE 38 -29.670 -7.099 -6.937 284 2HB PHE 38 1HB PHE 38 -30.342 -7.832 -8.390 285 HD1 PHE 38 HD1 PHE 38 -30.025 -6.509 -10.589 286 HD2 PHE 38 HD2 PHE 38 -27.721 -5.866 -7.072 287 HE1 PHE 38 HE1 PHE 38 -28.263 -5.450 -11.942 288 HE2 PHE 38 HE2 PHE 38 -25.954 -4.809 -8.416 289 HZ PHE 38 HZ PHE 38 -26.223 -4.598 -10.854 290 H TYR 39 H TYR 39 -33.033 -7.437 -8.974 291 HA TYR 39 HA TYR 39 -34.892 -7.719 -6.827 292 1HB TYR 39 2HB TYR 39 -34.724 -8.890 -9.592 293 2HB TYR 39 1HB TYR 39 -35.998 -9.341 -8.462 294 HD1 TYR 39 HD2 TYR 39 -34.439 -6.368 -10.074 295 HD2 TYR 39 HD1 TYR 39 -37.934 -8.050 -8.325 296 HE1 TYR 39 HE2 TYR 39 -35.723 -4.382 -10.746 297 HE2 TYR 39 HE1 TYR 39 -39.229 -6.068 -8.991 298 HH TYR 39 HH TYR 39 -38.851 -4.214 -11.017 299 H ASP 40 H ASP 40 -35.803 -10.121 -6.611 300 HA ASP 40 HA ASP 40 -33.738 -12.124 -6.399 301 1HB ASP 40 2HB ASP 40 -34.863 -12.160 -3.800 302 2HB ASP 40 1HB ASP 40 -33.207 -11.754 -4.238 303 H GLU 41 H GLU 41 -34.832 -14.090 -5.074 304 HA GLU 41 HA GLU 41 -36.956 -14.956 -6.689 305 1HB GLU 41 2HB GLU 41 -37.184 -16.692 -4.694 306 2HB GLU 41 1HB GLU 41 -35.829 -16.751 -5.814 307 1HG GLU 41 2HG GLU 41 -35.131 -17.018 -3.486 308 2HG GLU 41 1HG GLU 41 -34.421 -15.590 -4.237 309 H LYS 42 H LYS 42 -37.052 -12.610 -4.456 310 HA LYS 42 HA LYS 42 -39.733 -13.257 -3.445 311 1HB LYS 42 2HB LYS 42 -37.730 -11.154 -2.613 312 2HB LYS 42 1HB LYS 42 -39.349 -11.289 -1.941 313 1HG LYS 42 2HG LYS 42 -38.602 -13.750 -1.438 314 2HG LYS 42 1HG LYS 42 -36.983 -13.056 -1.565 315 1HD LYS 42 2HD LYS 42 -39.192 -12.200 0.304 316 2HD LYS 42 1HD LYS 42 -37.677 -12.995 0.740 317 1HE LYS 42 2HE LYS 42 -38.079 -10.204 -0.307 318 2HE LYS 42 1HE LYS 42 -37.402 -10.697 1.244 319 1HZ LYS 42 2HZ LYS 42 -35.598 -11.802 -0.136 320 2HZ LYS 42 1HZ LYS 42 -36.171 -10.885 -1.436 321 3HZ LYS 42 3HZ LYS 42 -35.574 -10.113 -0.053 322 H ARG 43 H ARG 43 -38.181 -11.466 -5.849 323 HA ARG 43 HA ARG 43 -39.123 -10.194 -7.523 324 1HB ARG 43 2HB ARG 43 -41.347 -11.265 -6.598 325 2HB ARG 43 1HB ARG 43 -41.597 -9.653 -5.942 326 1HG ARG 43 2HG ARG 43 -41.168 -8.804 -8.304 327 2HG ARG 43 1HG ARG 43 -41.351 -10.484 -8.812 328 1HD ARG 43 2HD ARG 43 -43.473 -9.475 -9.067 329 2HD ARG 43 1HD ARG 43 -43.569 -10.479 -7.621 330 HE ARG 43 HE ARG 43 -42.896 -8.026 -6.665 331 1HH1 ARG 43 1HH2 ARG 43 -45.434 -9.217 -8.724 332 2HH1 ARG 43 2HH2 ARG 43 -46.585 -8.023 -8.222 333 1HH2 ARG 43 2HH1 ARG 43 -44.399 -6.443 -5.991 334 2HH2 ARG 43 1HH1 ARG 43 -45.993 -6.438 -6.670 335 H ASN 44 H ASN 44 -38.473 -9.401 -4.385 336 HA ASN 44 HA ASN 44 -38.929 -6.529 -4.717 337 1HB ASN 44 2HB ASN 44 -37.986 -8.146 -2.338 338 2HB ASN 44 1HB ASN 44 -38.167 -6.393 -2.340 339 1HD2 ASN 44 2HD2 ASN 44 -41.343 -6.928 -1.049 340 2HD2 ASN 44 1HD2 ASN 44 -39.740 -6.339 -0.791 341 H LEU 45 H LEU 45 -37.194 -5.013 -4.338 342 HA LEU 45 HA LEU 45 -34.697 -5.965 -5.486 343 1HB LEU 45 2HB LEU 45 -35.591 -3.158 -4.872 344 2HB LEU 45 1HB LEU 45 -34.147 -3.609 -5.761 345 HG LEU 45 HG LEU 45 -35.946 -4.864 -7.288 346 1HD1 LEU 45 1HD1 LEU 45 -37.751 -3.994 -5.688 347 2HD1 LEU 45 3HD1 LEU 45 -37.504 -2.438 -6.481 348 3HD1 LEU 45 2HD1 LEU 45 -38.026 -3.836 -7.423 349 1HD2 LEU 45 1HD2 LEU 45 -35.073 -1.994 -7.356 350 2HD2 LEU 45 3HD2 LEU 45 -34.462 -3.361 -8.287 351 3HD2 LEU 45 2HD2 LEU 45 -36.058 -2.697 -8.640 352 H GLN 46 H GLN 46 -32.637 -5.327 -4.650 353 HA GLN 46 HA GLN 46 -32.537 -4.588 -1.831 354 1HB GLN 46 2HB GLN 46 -31.444 -7.181 -2.927 355 2HB GLN 46 1HB GLN 46 -30.925 -6.494 -1.392 356 1HG GLN 46 2HG GLN 46 -33.266 -6.578 -0.608 357 2HG GLN 46 1HG GLN 46 -33.713 -7.371 -2.118 358 1HE2 GLN 46 2HE2 GLN 46 -31.740 -10.325 -1.252 359 2HE2 GLN 46 1HE2 GLN 46 -31.832 -9.183 -2.546 360 H CYS 47 H CYS 47 -30.656 -3.610 -1.217 361 HA CYS 47 HA CYS 47 -29.026 -2.532 -3.330 362 1HB CYS 47 2HB CYS 47 -29.294 -2.114 -0.383 363 2HB CYS 47 1HB CYS 47 -27.847 -1.525 -1.188 364 H ILE 48 H ILE 48 -27.690 -4.085 -4.191 365 HA ILE 48 HA ILE 48 -26.155 -5.822 -2.454 366 HB ILE 48 HB ILE 48 -26.113 -5.606 -5.462 367 1HG1 ILE 48 2HG1 ILE 48 -27.685 -7.310 -3.539 368 2HG1 ILE 48 1HG1 ILE 48 -28.284 -6.323 -4.866 369 1HG2 ILE 48 1HG2 ILE 48 -24.055 -6.574 -4.537 370 2HG2 ILE 48 3HG2 ILE 48 -25.014 -7.757 -3.647 371 3HG2 ILE 48 2HG2 ILE 48 -24.998 -7.776 -5.412 372 1HD1 ILE 48 1HD1 ILE 48 -27.054 -7.938 -6.400 373 2HD1 ILE 48 3HD1 ILE 48 -26.914 -8.983 -4.985 374 3HD1 ILE 48 2HD1 ILE 48 -28.507 -8.528 -5.591 375 H CYS 49 H CYS 49 -24.159 -5.467 -1.753 376 HA CYS 49 HA CYS 49 -22.662 -3.201 -2.870 377 1HB CYS 49 2HB CYS 49 -22.282 -4.748 -0.297 378 2HB CYS 49 1HB CYS 49 -21.269 -3.406 -0.821 379 H ASP 50 H ASP 50 -21.287 -3.700 -4.435 380 HA ASP 50 HA ASP 50 -19.998 -6.327 -4.482 381 1HB ASP 50 2HB ASP 50 -20.437 -4.167 -6.514 382 2HB ASP 50 1HB ASP 50 -19.149 -5.342 -6.760 383 H TYR 51 H TYR 51 -17.936 -6.653 -4.055 384 HA TYR 51 HA TYR 51 -16.274 -4.342 -3.333 385 1HB TYR 51 2HB TYR 51 -16.243 -7.245 -2.544 386 2HB TYR 51 1HB TYR 51 -14.895 -6.167 -2.186 387 HD1 TYR 51 HD2 TYR 51 -18.580 -6.495 -1.705 388 HD2 TYR 51 HD1 TYR 51 -14.914 -4.930 -0.215 389 HE1 TYR 51 HE2 TYR 51 -19.732 -5.757 0.339 390 HE2 TYR 51 HE1 TYR 51 -16.055 -4.190 1.832 391 HH TYR 51 HH TYR 51 -18.553 -3.558 2.421 392 H CYS 52 H CYS 52 -16.282 -7.285 -5.288 393 HA CYS 52 HA CYS 52 -14.045 -6.212 -6.840 394 1HB CYS 52 2HB CYS 52 -13.937 -9.120 -6.183 395 2HB CYS 52 1HB CYS 52 -12.627 -7.999 -6.540 396 H GLU 53 H GLU 53 -17.014 -7.815 -6.694 397 HA GLU 53 HA GLU 53 -18.399 -8.704 -8.261 398 1HB GLU 53 2HB GLU 53 -17.905 -6.640 -9.489 399 2HB GLU 53 1HB GLU 53 -16.480 -7.391 -10.194 400 1HG GLU 53 2HG GLU 53 -18.586 -7.260 -11.620 401 2HG GLU 53 1HG GLU 53 -17.738 -8.803 -11.547 402 H TYR 54 HN TYR 54 -15.274 -8.958 -9.962 403 HA TYR 54 HA TYR 54 -15.696 -11.480 -11.021 404 1HB TYR 54 2HB TYR 54 -13.457 -9.663 -10.731 405 2HB TYR 54 1HB TYR 54 -12.921 -11.329 -10.549 406 HD1 TYR 54 HD1 TYR 54 -15.563 -9.843 -12.730 407 HD2 TYR 54 HD2 TYR 54 -11.849 -11.908 -12.520 408 HE1 TYR 54 HE1 TYR 54 -15.581 -10.112 -15.175 409 HE2 TYR 54 HE2 TYR 54 -11.856 -12.181 -14.964 410 HH TYR 54 HH TYR 54 -13.662 -12.248 -16.805 No H/Q in entry = 410 Start of MODEL 31 1 HN PCA 1 HN PCA 1 -11.571 -17.626 -3.687 2 HA PCA 1 HA PCA 1 -12.115 -15.200 -3.109 3 1HB PCA 1 1HB PCA 1 -13.271 -14.061 -4.685 4 2HB PCA 1 2HB PCA 1 -14.671 -15.137 -4.472 5 1HG PCA 1 1HG PCA 1 -12.683 -15.153 -6.590 6 2HG PCA 1 2HG PCA 1 -14.110 -16.191 -6.419 7 H ASP 2 H ASP 2 -12.430 -16.025 -1.063 8 HA ASP 2 HA ASP 2 -14.498 -17.810 -0.351 9 1HB ASP 2 2HB ASP 2 -13.799 -17.533 1.867 10 2HB ASP 2 1HB ASP 2 -12.335 -17.217 0.941 11 H LYS 3 H LYS 3 -14.239 -14.283 -0.221 12 HA LYS 3 HA LYS 3 -17.092 -14.033 -0.384 13 1HB LYS 3 2HB LYS 3 -16.300 -14.339 2.133 14 2HB LYS 3 1HB LYS 3 -15.949 -12.621 1.981 15 1HG LYS 3 2HG LYS 3 -18.270 -12.215 1.316 16 2HG LYS 3 1HG LYS 3 -18.612 -13.936 1.498 17 1HD LYS 3 2HD LYS 3 -18.322 -13.863 3.824 18 2HD LYS 3 1HD LYS 3 -17.477 -12.315 3.758 19 1HE LYS 3 2HE LYS 3 -19.498 -11.157 3.226 20 2HE LYS 3 1HE LYS 3 -20.371 -12.672 2.999 21 1HZ LYS 3 1HZ LYS 3 -19.483 -12.936 5.510 22 2HZ LYS 3 3HZ LYS 3 -19.718 -11.262 5.441 23 3HZ LYS 3 2HZ LYS 3 -21.003 -12.310 5.108 24 H CYS 4 H CYS 4 -17.439 -12.442 -1.748 25 HA CYS 4 HA CYS 4 -16.059 -9.922 -1.484 26 1HB CYS 4 2HB CYS 4 -15.075 -11.848 -3.301 27 2HB CYS 4 1HB CYS 4 -15.860 -10.608 -4.272 28 H LYS 5 H LYS 5 -18.788 -11.413 -1.702 29 HA LYS 5 HA LYS 5 -20.129 -9.214 -3.071 30 1HB LYS 5 2HB LYS 5 -20.123 -10.737 -4.860 31 2HB LYS 5 1HB LYS 5 -20.365 -12.122 -3.805 32 1HG LYS 5 2HG LYS 5 -22.540 -10.138 -3.763 33 2HG LYS 5 1HG LYS 5 -22.313 -10.960 -5.307 34 1HD LYS 5 2HD LYS 5 -22.942 -12.992 -4.473 35 2HD LYS 5 1HD LYS 5 -22.341 -12.643 -2.854 36 1HE LYS 5 2HE LYS 5 -24.245 -11.443 -2.268 37 2HE LYS 5 1HE LYS 5 -24.712 -11.182 -3.947 38 1HZ LYS 5 2HZ LYS 5 -24.664 -13.888 -2.762 39 2HZ LYS 5 1HZ LYS 5 -26.018 -12.885 -2.615 40 3HZ LYS 5 3HZ LYS 5 -25.479 -13.359 -4.147 41 H LYS 6 H LYS 6 -21.505 -8.410 -1.582 42 HA LYS 6 HA LYS 6 -23.211 -10.259 -0.131 43 1HB LYS 6 2HB LYS 6 -22.472 -9.870 2.000 44 2HB LYS 6 1HB LYS 6 -20.951 -9.788 1.124 45 1HG LYS 6 2HG LYS 6 -21.240 -7.297 1.047 46 2HG LYS 6 1HG LYS 6 -22.606 -7.497 2.146 47 1HD LYS 6 2HD LYS 6 -20.846 -8.876 3.543 48 2HD LYS 6 1HD LYS 6 -19.691 -7.902 2.631 49 1HE LYS 6 2HE LYS 6 -21.986 -6.730 4.192 50 2HE LYS 6 1HE LYS 6 -20.375 -6.967 4.864 51 1HZ LYS 6 1HZ LYS 6 -20.275 -5.610 2.361 52 2HZ LYS 6 3HZ LYS 6 -21.254 -4.782 3.465 53 3HZ LYS 6 2HZ LYS 6 -19.649 -5.142 3.862 54 H VAL 7 H VAL 7 -25.154 -9.460 0.341 55 HA VAL 7 HA VAL 7 -25.933 -6.976 -0.760 56 HB VAL 7 HB VAL 7 -28.113 -7.507 -0.199 57 1HG1 VAL 7 3HG1 VAL 7 -26.784 -9.347 -1.473 58 2HG1 VAL 7 2HG1 VAL 7 -27.052 -10.293 -0.009 59 3HG1 VAL 7 1HG1 VAL 7 -28.425 -9.675 -0.923 60 1HG2 VAL 7 1HG2 VAL 7 -26.940 -8.852 2.207 61 2HG2 VAL 7 3HG2 VAL 7 -28.154 -7.576 2.124 62 3HG2 VAL 7 2HG2 VAL 7 -28.578 -9.227 1.673 63 H TYR 8 H TYR 8 -26.720 -5.119 0.290 64 HA TYR 8 HA TYR 8 -25.151 -4.260 2.464 65 1HB TYR 8 2HB TYR 8 -26.436 -2.943 0.581 66 2HB TYR 8 1HB TYR 8 -27.724 -2.908 1.774 67 HD1 TYR 8 HD2 TYR 8 -26.130 -2.565 4.286 68 HD2 TYR 8 HD1 TYR 8 -25.736 -0.731 0.466 69 HE1 TYR 8 HE2 TYR 8 -25.091 -0.611 5.341 70 HE2 TYR 8 HE1 TYR 8 -24.689 1.226 1.514 71 HH TYR 8 HH TYR 8 -23.625 1.236 4.755 72 H GLU 9 H GLU 9 -25.874 -6.362 3.623 73 HA GLU 9 HA GLU 9 -27.421 -7.462 5.035 74 1HB GLU 9 2HB GLU 9 -26.589 -5.201 6.807 75 2HB GLU 9 1HB GLU 9 -26.678 -6.921 7.161 76 1HG GLU 9 2HG GLU 9 -24.798 -6.980 5.264 77 2HG GLU 9 1HG GLU 9 -24.520 -5.354 5.886 78 H ASN 10 H ASN 10 -28.276 -5.772 7.392 79 HA ASN 10 HA ASN 10 -31.000 -5.713 6.905 80 1HB ASN 10 2HB ASN 10 -30.813 -4.042 9.021 81 2HB ASN 10 1HB ASN 10 -30.640 -5.789 9.143 82 1HD2 ASN 10 2HD2 ASN 10 -27.502 -3.323 9.806 83 2HD2 ASN 10 1HD2 ASN 10 -29.017 -2.736 9.219 84 H TYR 11 H TYR 11 -29.159 -3.788 5.166 85 HA TYR 11 HA TYR 11 -29.927 -1.166 5.567 86 1HB TYR 11 2HB TYR 11 -28.320 -1.883 3.846 87 2HB TYR 11 1HB TYR 11 -29.634 -2.576 2.905 88 HD1 TYR 11 HD1 TYR 11 -27.997 0.514 4.002 89 HD2 TYR 11 HD2 TYR 11 -31.089 -1.143 1.592 90 HE1 TYR 11 HE1 TYR 11 -28.239 2.667 2.843 91 HE2 TYR 11 HE2 TYR 11 -31.342 1.010 0.430 92 HH TYR 11 HH TYR 11 -29.073 3.490 0.646 93 HA PRO 12 HA PRO 12 -34.348 -0.997 5.158 94 1HB PRO 12 2HB PRO 12 -34.541 1.277 3.516 95 2HB PRO 12 1HB PRO 12 -34.548 1.256 5.277 96 1HG PRO 12 2HG PRO 12 -32.287 1.761 3.403 97 2HG PRO 12 1HG PRO 12 -32.646 2.520 4.966 98 1HD PRO 12 2HD PRO 12 -30.727 0.704 4.758 99 2HD PRO 12 1HD PRO 12 -31.795 0.707 6.172 100 H VAL 13 H VAL 13 -33.733 0.526 2.152 101 HA VAL 13 HA VAL 13 -33.479 -0.589 0.012 102 HB VAL 13 HB VAL 13 -35.551 -2.469 1.135 103 1HG1 VAL 13 1HG1 VAL 13 -34.634 -1.954 -1.646 104 2HG1 VAL 13 3HG1 VAL 13 -35.060 -3.598 -1.172 105 3HG1 VAL 13 2HG1 VAL 13 -36.252 -2.305 -1.036 106 1HG2 VAL 13 2HG2 VAL 13 -32.844 -2.622 1.442 107 2HG2 VAL 13 1HG2 VAL 13 -33.913 -4.022 1.400 108 3HG2 VAL 13 3HG2 VAL 13 -33.062 -3.518 -0.059 109 H SER 14 H SER 14 -35.825 0.868 1.868 110 HA SER 14 HA SER 14 -37.975 1.095 0.042 111 1HB SER 14 2HB SER 14 -38.946 2.462 1.604 112 2HB SER 14 1HB SER 14 -37.717 1.720 2.629 113 HG SER 14 HG SER 14 -37.801 4.044 2.755 114 H LYS 15 H LYS 15 -35.256 1.669 -1.024 115 HA LYS 15 HA LYS 15 -35.928 3.758 -2.794 116 1HB LYS 15 2HB LYS 15 -34.346 4.438 -0.374 117 2HB LYS 15 1HB LYS 15 -33.698 5.048 -1.887 118 1HG LYS 15 2HG LYS 15 -36.536 5.594 -1.720 119 2HG LYS 15 1HG LYS 15 -35.702 6.208 -0.297 120 1HD LYS 15 2HD LYS 15 -34.663 6.745 -3.062 121 2HD LYS 15 1HD LYS 15 -35.928 7.746 -2.347 122 1HE LYS 15 2HE LYS 15 -34.525 8.648 -0.784 123 2HE LYS 15 1HE LYS 15 -33.495 7.217 -0.725 124 1HZ LYS 15 2HZ LYS 15 -33.500 8.699 -3.228 125 2HZ LYS 15 1HZ LYS 15 -32.773 9.469 -1.908 126 3HZ LYS 15 3HZ LYS 15 -32.221 7.952 -2.411 127 H CYS 16 H CYS 16 -35.274 2.455 -4.433 128 HA CYS 16 HA CYS 16 -32.507 2.265 -5.019 129 1HB CYS 16 2HB CYS 16 -33.543 0.192 -3.377 130 2HB CYS 16 1HB CYS 16 -33.277 -0.512 -4.967 131 H GLN 17 H GLN 17 -35.132 3.021 -6.169 132 HA GLN 17 HA GLN 17 -35.697 1.142 -8.254 133 1HB GLN 17 2HB GLN 17 -36.568 3.972 -8.520 134 2HB GLN 17 1HB GLN 17 -37.470 2.485 -8.782 135 1HG GLN 17 2HG GLN 17 -36.961 3.968 -6.246 136 2HG GLN 17 1HG GLN 17 -38.481 3.374 -6.914 137 1HE2 GLN 17 2HE2 GLN 17 -37.454 -0.080 -5.992 138 2HE2 GLN 17 1HE2 GLN 17 -37.722 0.753 -7.482 139 H LEU 18 H LEU 18 -32.960 2.510 -7.932 140 HA LEU 18 HA LEU 18 -32.387 2.705 -10.725 141 1HB LEU 18 2HB LEU 18 -32.771 5.143 -9.110 142 2HB LEU 18 1HB LEU 18 -31.292 5.122 -10.048 143 HG LEU 18 HG LEU 18 -34.067 4.790 -11.170 144 1HD1 LEU 18 3HD1 LEU 18 -32.260 7.127 -10.815 145 2HD1 LEU 18 2HD1 LEU 18 -33.287 7.049 -12.247 146 3HD1 LEU 18 1HD1 LEU 18 -34.012 7.017 -10.639 147 1HD2 LEU 18 2HD2 LEU 18 -31.338 4.642 -12.361 148 2HD2 LEU 18 1HD2 LEU 18 -32.776 3.686 -12.723 149 3HD2 LEU 18 3HD2 LEU 18 -32.646 5.342 -13.313 150 H ALA 19 H ALA 19 -30.638 4.560 -8.323 151 HA ALA 19 HA ALA 19 -28.839 2.603 -7.405 152 1HB ALA 19 1HB ALA 19 -28.367 2.868 -10.010 153 2HB ALA 19 3HB ALA 19 -27.411 4.235 -9.439 154 3HB ALA 19 2HB ALA 19 -27.070 2.609 -8.847 155 H ASN 20 H ASN 20 -26.483 4.296 -7.649 156 HA ASN 20 HA ASN 20 -25.430 5.969 -6.574 157 1HB ASN 20 2HB ASN 20 -26.354 7.873 -7.356 158 2HB ASN 20 1HB ASN 20 -27.949 7.140 -7.418 159 1HD2 ASN 20 2HD2 ASN 20 -26.908 9.661 -4.441 160 2HD2 ASN 20 1HD2 ASN 20 -25.782 9.137 -5.643 161 H GLN 21 H GLN 21 -28.590 6.229 -4.943 162 HA GLN 21 HA GLN 21 -27.773 6.613 -2.415 163 1HB GLN 21 2HB GLN 21 -30.130 6.469 -2.965 164 2HB GLN 21 1HB GLN 21 -29.984 4.748 -3.294 165 1HG GLN 21 2HG GLN 21 -31.013 5.087 -1.147 166 2HG GLN 21 1HG GLN 21 -29.421 4.358 -0.945 167 1HE2 GLN 21 2HE2 GLN 21 -29.027 8.294 -0.257 168 2HE2 GLN 21 1HE2 GLN 21 -29.349 7.635 -1.821 169 H CYS 22 H CYS 22 -28.784 3.284 -3.068 170 HA CYS 22 HA CYS 22 -27.150 2.161 -1.101 171 1HB CYS 22 2HB CYS 22 -28.942 1.214 -3.180 172 2HB CYS 22 1HB CYS 22 -27.560 0.137 -3.003 173 H ASN 23 H ASN 23 -26.583 2.639 -4.561 174 HA ASN 23 HA ASN 23 -24.212 1.194 -4.834 175 1HB ASN 23 2HB ASN 23 -25.731 2.557 -6.556 176 2HB ASN 23 1HB ASN 23 -24.478 3.770 -6.314 177 1HD2 ASN 23 2HD2 ASN 23 -22.024 1.107 -7.381 178 2HD2 ASN 23 1HD2 ASN 23 -22.401 1.789 -5.838 179 H TYR 24 H TYR 24 -24.200 4.750 -4.831 180 HA TYR 24 HA TYR 24 -21.567 5.099 -4.155 181 1HB TYR 24 2HB TYR 24 -22.267 7.202 -4.543 182 2HB TYR 24 1HB TYR 24 -23.939 6.757 -4.236 183 HD1 TYR 24 HD2 TYR 24 -20.836 7.214 -2.218 184 HD2 TYR 24 HD1 TYR 24 -24.992 8.031 -2.625 185 HE1 TYR 24 HE2 TYR 24 -20.775 8.506 -0.136 186 HE2 TYR 24 HE1 TYR 24 -24.945 9.330 -0.537 187 HH TYR 24 HH TYR 24 -22.846 10.664 0.757 188 H ASP 25 H ASP 25 -24.303 4.608 -1.948 189 HA ASP 25 HA ASP 25 -22.994 5.136 0.445 190 1HB ASP 25 2HB ASP 25 -25.217 3.196 -0.178 191 2HB ASP 25 1HB ASP 25 -24.642 3.498 1.458 192 H CYS 26 H CYS 26 -23.582 1.817 -0.758 193 HA CYS 26 HA CYS 26 -21.770 0.640 0.979 194 1HB CYS 26 2HB CYS 26 -23.209 -0.172 -1.428 195 2HB CYS 26 1HB CYS 26 -21.642 -0.963 -1.299 196 H LYS 27 H LYS 27 -21.279 2.073 -2.190 197 HA LYS 27 HA LYS 27 -18.622 1.299 -2.597 198 1HB LYS 27 2HB LYS 27 -20.384 2.516 -4.142 199 2HB LYS 27 1HB LYS 27 -19.557 3.960 -3.570 200 1HG LYS 27 2HG LYS 27 -17.484 3.228 -4.467 201 2HG LYS 27 1HG LYS 27 -18.125 1.622 -4.807 202 1HD LYS 27 2HD LYS 27 -18.229 2.568 -6.897 203 2HD LYS 27 1HD LYS 27 -19.837 2.959 -6.291 204 1HE LYS 27 2HE LYS 27 -17.485 4.831 -6.062 205 2HE LYS 27 1HE LYS 27 -18.591 4.836 -7.434 206 1HZ LYS 27 1HZ LYS 27 -20.245 4.924 -5.285 207 2HZ LYS 27 3HZ LYS 27 -18.951 5.900 -4.797 208 3HZ LYS 27 2HZ LYS 27 -19.785 6.252 -6.226 209 H LEU 28 H LEU 28 -19.594 2.891 0.048 210 HA LEU 28 HA LEU 28 -16.962 3.933 0.544 211 1HB LEU 28 2HB LEU 28 -18.096 5.735 -0.797 212 2HB LEU 28 1HB LEU 28 -19.217 5.925 0.536 213 HG LEU 28 HG LEU 28 -17.190 6.392 2.003 214 1HD1 LEU 28 1HD1 LEU 28 -15.913 6.375 -0.706 215 2HD1 LEU 28 3HD1 LEU 28 -15.279 7.382 0.596 216 3HD1 LEU 28 2HD1 LEU 28 -15.360 5.632 0.794 217 1HD2 LEU 28 1HD2 LEU 28 -18.782 8.103 1.143 218 2HD2 LEU 28 3HD2 LEU 28 -17.148 8.711 1.411 219 3HD2 LEU 28 2HD2 LEU 28 -17.699 8.354 -0.225 220 H ASP 29 H ASP 29 -20.329 3.696 1.628 221 HA ASP 29 HA ASP 29 -19.792 4.346 4.339 222 1HB ASP 29 2HB ASP 29 -22.069 2.993 2.923 223 2HB ASP 29 1HB ASP 29 -22.011 3.009 4.682 224 H LYS 30 H LYS 30 -19.045 1.666 2.464 225 HA LYS 30 HA LYS 30 -18.215 0.175 4.836 226 1HB LYS 30 2HB LYS 30 -20.228 -0.695 2.858 227 2HB LYS 30 1HB LYS 30 -18.988 -1.888 3.221 228 1HG LYS 30 2HG LYS 30 -19.542 -1.866 5.541 229 2HG LYS 30 1HG LYS 30 -20.632 -0.495 5.320 230 1HD LYS 30 2HD LYS 30 -22.272 -1.776 4.365 231 2HD LYS 30 1HD LYS 30 -21.127 -2.955 3.720 232 1HE LYS 30 2HE LYS 30 -22.557 -3.821 5.568 233 2HE LYS 30 1HE LYS 30 -20.826 -3.941 5.877 234 1HZ LYS 30 3HZ LYS 30 -21.006 -1.877 7.188 235 2HZ LYS 30 2HZ LYS 30 -22.684 -1.903 6.976 236 3HZ LYS 30 1HZ LYS 30 -21.921 -3.146 7.833 237 H HIS 31 H HIS 31 -17.277 1.715 2.250 238 HA HIS 31 HA HIS 31 -15.482 1.682 0.855 239 1HB HIS 31 2HB HIS 31 -14.133 -0.474 2.400 240 2HB HIS 31 1HB HIS 31 -13.505 1.070 1.831 241 HD1 HIS 31 HD1 HIS 31 -14.960 -0.592 4.769 242 HD2 HIS 31 HD2 HIS 31 -14.176 3.295 3.528 243 HE1 HIS 31 HE1 HIS 31 -15.144 0.823 6.840 244 HE2 HIS 31 HE2 HIS 31 -14.686 3.178 6.063 245 H ALA 32 H ALA 32 -17.492 0.262 -0.184 246 HA ALA 32 HA ALA 32 -16.588 -2.398 -0.909 247 1HB ALA 32 2HB ALA 32 -19.027 -0.823 -1.739 248 2HB ALA 32 1HB ALA 32 -18.693 -2.487 -2.219 249 3HB ALA 32 3HB ALA 32 -18.951 -2.095 -0.519 250 H ARG 33 H ARG 33 -16.858 -2.940 -3.355 251 HA ARG 33 HA ARG 33 -15.094 -1.112 -4.794 252 1HB ARG 33 2HB ARG 33 -14.490 -3.488 -4.723 253 2HB ARG 33 1HB ARG 33 -16.028 -3.910 -5.462 254 1HG ARG 33 2HG ARG 33 -14.836 -3.913 -7.373 255 2HG ARG 33 1HG ARG 33 -15.056 -2.165 -7.299 256 1HD ARG 33 2HD ARG 33 -12.765 -2.461 -7.675 257 2HD ARG 33 1HD ARG 33 -12.892 -2.125 -5.948 258 HE ARG 33 HE ARG 33 -12.987 -4.879 -6.245 259 1HH1 ARG 33 1HH2 ARG 33 -10.746 -2.288 -6.861 260 2HH1 ARG 33 2HH2 ARG 33 -9.342 -3.277 -6.646 261 1HH2 ARG 33 1HH1 ARG 33 -9.569 -5.496 -6.120 262 2HH2 ARG 33 2HH1 ARG 33 -11.147 -6.192 -5.951 263 H SER 34 H SER 34 -18.139 -2.870 -5.325 264 HA SER 34 HA SER 34 -19.275 -0.627 -6.716 265 1HB SER 34 2HB SER 34 -19.454 -1.510 -8.885 266 2HB SER 34 1HB SER 34 -17.800 -1.907 -8.420 267 HG SER 34 HG SER 34 -20.042 -3.584 -8.640 268 H GLY 35 H GLY 35 -21.384 -0.591 -6.266 269 1HA GLY 35 2HA GLY 35 -22.747 -3.161 -5.767 270 2HA GLY 35 1HA GLY 35 -22.919 -1.820 -4.647 271 H GLU 36 H GLU 36 -25.143 -2.941 -5.705 272 HA GLU 36 HA GLU 36 -26.489 -0.751 -6.814 273 1HB GLU 36 2HB GLU 36 -25.005 -2.027 -8.753 274 2HB GLU 36 1HB GLU 36 -26.580 -2.784 -8.939 275 1HG GLU 36 2HG GLU 36 -27.622 -0.745 -9.442 276 2HG GLU 36 1HG GLU 36 -26.257 0.198 -8.845 277 H CYS 37 H CYS 37 -28.706 -1.220 -7.380 278 HA CYS 37 HA CYS 37 -29.768 -3.281 -5.649 279 1HB CYS 37 2HB CYS 37 -31.498 -1.498 -7.298 280 2HB CYS 37 1HB CYS 37 -31.718 -2.047 -5.639 281 H PHE 38 H PHE 38 -30.555 -5.189 -6.319 282 HA PHE 38 HA PHE 38 -31.152 -5.526 -9.193 283 1HB PHE 38 2HB PHE 38 -29.494 -7.219 -7.365 284 2HB PHE 38 1HB PHE 38 -30.404 -8.001 -8.651 285 HD1 PHE 38 HD2 PHE 38 -29.915 -7.478 -11.008 286 HD2 PHE 38 HD1 PHE 38 -27.549 -5.933 -7.826 287 HE1 PHE 38 HE2 PHE 38 -28.127 -6.932 -12.608 288 HE2 PHE 38 HE1 PHE 38 -25.757 -5.384 -9.420 289 HZ PHE 38 HZ PHE 38 -26.045 -5.884 -11.814 290 H TYR 39 H TYR 39 -32.804 -6.931 -9.741 291 HA TYR 39 HA TYR 39 -34.760 -7.417 -7.608 292 1HB TYR 39 2HB TYR 39 -34.929 -7.046 -10.578 293 2HB TYR 39 1HB TYR 39 -36.197 -7.954 -9.764 294 HD1 TYR 39 HD1 TYR 39 -34.547 -4.658 -9.990 295 HD2 TYR 39 HD2 TYR 39 -37.872 -6.847 -8.480 296 HE1 TYR 39 HE1 TYR 39 -35.679 -2.547 -9.436 297 HE2 TYR 39 HE2 TYR 39 -39.011 -4.741 -7.926 298 HH TYR 39 HH TYR 39 -38.879 -2.285 -8.824 299 H ASP 40 H ASP 40 -35.831 -9.457 -7.463 300 HA ASP 40 HA ASP 40 -34.137 -11.686 -8.325 301 1HB ASP 40 2HB ASP 40 -35.931 -12.903 -6.755 302 2HB ASP 40 1HB ASP 40 -34.515 -12.085 -6.105 303 H GLU 41 H GLU 41 -35.463 -13.761 -8.817 304 HA GLU 41 HA GLU 41 -36.848 -13.308 -11.207 305 1HB GLU 41 2HB GLU 41 -35.635 -15.441 -10.364 306 2HB GLU 41 1HB GLU 41 -37.178 -15.833 -9.616 307 1HG GLU 41 2HG GLU 41 -37.350 -16.937 -11.611 308 2HG GLU 41 1HG GLU 41 -38.128 -15.404 -12.000 309 H LYS 42 H LYS 42 -37.887 -12.672 -8.182 310 HA LYS 42 HA LYS 42 -40.680 -13.407 -8.682 311 1HB LYS 42 2HB LYS 42 -39.637 -13.893 -6.459 312 2HB LYS 42 1HB LYS 42 -39.461 -12.163 -6.209 313 1HG LYS 42 2HG LYS 42 -41.557 -12.008 -5.451 314 2HG LYS 42 1HG LYS 42 -42.182 -12.742 -6.927 315 1HD LYS 42 2HD LYS 42 -41.104 -14.279 -4.561 316 2HD LYS 42 1HD LYS 42 -42.814 -13.970 -4.868 317 1HE LYS 42 2HE LYS 42 -41.998 -15.036 -7.257 318 2HE LYS 42 1HE LYS 42 -41.002 -15.924 -6.103 319 1HZ LYS 42 1HZ LYS 42 -43.728 -15.711 -5.260 320 2HZ LYS 42 3HZ LYS 42 -43.586 -16.481 -6.760 321 3HZ LYS 42 2HZ LYS 42 -42.754 -17.084 -5.417 322 H ARG 43 H ARG 43 -39.367 -10.584 -7.019 323 HA ARG 43 HA ARG 43 -39.755 -8.604 -8.870 324 1HB ARG 43 2HB ARG 43 -41.999 -7.665 -8.085 325 2HB ARG 43 1HB ARG 43 -42.043 -9.041 -9.165 326 1HG ARG 43 2HG ARG 43 -43.634 -9.604 -7.603 327 2HG ARG 43 1HG ARG 43 -42.214 -10.449 -6.998 328 1HD ARG 43 2HD ARG 43 -42.264 -7.810 -5.875 329 2HD ARG 43 1HD ARG 43 -43.833 -8.569 -5.633 330 HE ARG 43 HE ARG 43 -41.391 -10.014 -4.899 331 1HH1 ARG 43 1HH2 ARG 43 -44.380 -8.467 -3.980 332 2HH1 ARG 43 2HH2 ARG 43 -44.371 -9.122 -2.378 333 1HH2 ARG 43 2HH1 ARG 43 -41.375 -10.873 -2.791 334 2HH2 ARG 43 1HH1 ARG 43 -42.663 -10.483 -1.701 335 H ASN 44 H ASN 44 -38.456 -9.451 -6.251 336 HA ASN 44 HA ASN 44 -39.031 -7.120 -4.584 337 1HB ASN 44 2HB ASN 44 -36.961 -9.139 -3.836 338 2HB ASN 44 1HB ASN 44 -38.073 -8.241 -2.810 339 1HD2 ASN 44 2HD2 ASN 44 -39.383 -11.559 -2.604 340 2HD2 ASN 44 1HD2 ASN 44 -38.126 -10.557 -1.972 341 H LEU 45 H LEU 45 -36.559 -6.778 -3.360 342 HA LEU 45 HA LEU 45 -34.663 -6.136 -5.481 343 1HB LEU 45 2HB LEU 45 -36.310 -4.184 -4.023 344 2HB LEU 45 1HB LEU 45 -34.600 -3.797 -4.045 345 HG LEU 45 HG LEU 45 -35.966 -4.494 -6.611 346 1HD1 LEU 45 3HD1 LEU 45 -36.289 -1.975 -5.037 347 2HD1 LEU 45 2HD1 LEU 45 -36.237 -1.914 -6.799 348 3HD1 LEU 45 1HD1 LEU 45 -37.479 -2.867 -5.986 349 1HD2 LEU 45 2HD2 LEU 45 -33.431 -4.088 -6.176 350 2HD2 LEU 45 1HD2 LEU 45 -34.206 -3.386 -7.596 351 3HD2 LEU 45 3HD2 LEU 45 -33.901 -2.387 -6.176 352 H GLN 46 H GLN 46 -32.540 -5.891 -4.786 353 HA GLN 46 HA GLN 46 -31.961 -6.027 -1.940 354 1HB GLN 46 2HB GLN 46 -31.190 -8.200 -3.885 355 2HB GLN 46 1HB GLN 46 -30.397 -7.979 -2.330 356 1HG GLN 46 2HG GLN 46 -32.902 -8.061 -1.466 357 2HG GLN 46 1HG GLN 46 -33.114 -8.989 -2.950 358 1HE2 GLN 46 2HE2 GLN 46 -32.356 -11.718 -0.882 359 2HE2 GLN 46 1HE2 GLN 46 -33.611 -10.809 -1.644 360 H CYS 47 H CYS 47 -30.317 -4.749 -1.495 361 HA CYS 47 HA CYS 47 -28.795 -3.516 -3.595 362 1HB CYS 47 2HB CYS 47 -28.791 -3.265 -0.592 363 2HB CYS 47 1HB CYS 47 -27.646 -2.393 -1.606 364 H ILE 48 H ILE 48 -27.455 -5.000 -4.554 365 HA ILE 48 HA ILE 48 -25.768 -6.736 -2.976 366 HB ILE 48 HB ILE 48 -25.817 -6.261 -5.951 367 1HG1 ILE 48 2HG1 ILE 48 -27.856 -7.297 -4.626 368 2HG1 ILE 48 1HG1 ILE 48 -27.332 -7.988 -6.159 369 1HG2 ILE 48 3HG2 ILE 48 -24.242 -8.087 -4.203 370 2HG2 ILE 48 2HG2 ILE 48 -24.734 -8.645 -5.802 371 3HG2 ILE 48 1HG2 ILE 48 -23.746 -7.194 -5.640 372 1HD1 ILE 48 1HD1 ILE 48 -26.141 -9.052 -3.658 373 2HD1 ILE 48 3HD1 ILE 48 -27.802 -9.488 -4.057 374 3HD1 ILE 48 2HD1 ILE 48 -26.497 -9.866 -5.181 375 H CYS 49 H CYS 49 -23.941 -6.018 -2.056 376 HA CYS 49 HA CYS 49 -22.426 -3.878 -3.413 377 1HB CYS 49 2HB CYS 49 -22.065 -4.778 -0.552 378 2HB CYS 49 1HB CYS 49 -21.504 -3.283 -1.300 379 H ASP 50 H ASP 50 -20.831 -4.648 -4.637 380 HA ASP 50 HA ASP 50 -19.495 -7.153 -3.908 381 1HB ASP 50 2HB ASP 50 -19.243 -5.534 -6.451 382 2HB ASP 50 1HB ASP 50 -18.612 -7.154 -6.172 383 H TYR 51 H TYR 51 -17.215 -7.339 -3.909 384 HA TYR 51 HA TYR 51 -15.813 -4.815 -3.291 385 1HB TYR 51 2HB TYR 51 -15.629 -7.530 -2.001 386 2HB TYR 51 1HB TYR 51 -14.410 -6.281 -1.756 387 HD1 TYR 51 HD2 TYR 51 -18.071 -6.904 -1.440 388 HD2 TYR 51 HD1 TYR 51 -14.698 -4.719 -0.042 389 HE1 TYR 51 HE2 TYR 51 -19.441 -5.960 0.369 390 HE2 TYR 51 HE1 TYR 51 -16.059 -3.770 1.773 391 HH TYR 51 HH TYR 51 -19.520 -4.495 2.049 392 H CYS 52 H CYS 52 -15.703 -7.863 -4.999 393 HA CYS 52 HA CYS 52 -12.908 -7.451 -5.750 394 1HB CYS 52 2HB CYS 52 -14.839 -9.722 -6.084 395 2HB CYS 52 1HB CYS 52 -13.395 -9.643 -7.082 396 H GLU 53 H GLU 53 -14.673 -9.052 -8.134 397 HA GLU 53 HA GLU 53 -15.583 -6.895 -9.706 398 1HB GLU 53 2HB GLU 53 -13.023 -6.612 -9.729 399 2HB GLU 53 1HB GLU 53 -13.002 -8.053 -10.735 400 1HG GLU 53 2HG GLU 53 -14.277 -6.972 -12.435 401 2HG GLU 53 1HG GLU 53 -14.558 -5.571 -11.404 402 H TYR 54 HN TYR 54 -17.286 -8.435 -9.846 403 HA TYR 54 HA TYR 54 -18.505 -10.063 -10.855 404 1HB TYR 54 2HB TYR 54 -16.349 -9.558 -12.877 405 2HB TYR 54 1HB TYR 54 -17.502 -10.863 -13.134 406 HD1 TYR 54 HD1 TYR 54 -17.472 -7.246 -12.202 407 HD2 TYR 54 HD2 TYR 54 -19.428 -10.379 -14.311 408 HE1 TYR 54 HE1 TYR 54 -19.093 -5.628 -13.088 409 HE2 TYR 54 HE2 TYR 54 -21.053 -8.768 -15.204 410 HH TYR 54 HH TYR 54 -20.991 -5.360 -14.237 No H/Q in entry = 410 Start of MODEL 32 1 HN PCA 1 HN PCA 1 -9.518 -12.723 -7.798 2 HA PCA 1 HA PCA 1 -11.311 -11.008 -7.242 3 1HB PCA 1 1HB PCA 1 -12.307 -10.064 -9.042 4 2HB PCA 1 2HB PCA 1 -13.081 -11.616 -9.434 5 1HG PCA 1 1HG PCA 1 -10.821 -10.367 -10.732 6 2HG PCA 1 2HG PCA 1 -11.573 -11.925 -11.119 7 H ASP 2 H ASP 2 -11.509 -12.616 -5.621 8 HA ASP 2 HA ASP 2 -13.110 -14.973 -6.179 9 1HB ASP 2 2HB ASP 2 -12.177 -14.154 -3.444 10 2HB ASP 2 1HB ASP 2 -12.444 -15.774 -4.083 11 H LYS 3 H LYS 3 -14.744 -15.487 -4.290 12 HA LYS 3 HA LYS 3 -16.995 -13.988 -4.623 13 1HB LYS 3 2HB LYS 3 -16.767 -15.051 -1.884 14 2HB LYS 3 1HB LYS 3 -17.940 -15.423 -3.142 15 1HG LYS 3 2HG LYS 3 -15.991 -16.741 -4.228 16 2HG LYS 3 1HG LYS 3 -15.272 -16.659 -2.619 17 1HD LYS 3 2HD LYS 3 -16.427 -18.588 -2.321 18 2HD LYS 3 1HD LYS 3 -17.751 -17.477 -1.960 19 1HE LYS 3 2HE LYS 3 -17.229 -19.080 -4.427 20 2HE LYS 3 1HE LYS 3 -18.710 -18.937 -3.481 21 1HZ LYS 3 3HZ LYS 3 -18.727 -16.537 -4.271 22 2HZ LYS 3 2HZ LYS 3 -17.574 -17.012 -5.414 23 3HZ LYS 3 1HZ LYS 3 -19.107 -17.725 -5.414 24 H CYS 4 H CYS 4 -17.681 -12.024 -4.004 25 HA CYS 4 HA CYS 4 -16.754 -10.834 -1.541 26 1HB CYS 4 2HB CYS 4 -15.668 -10.080 -4.169 27 2HB CYS 4 1HB CYS 4 -16.187 -8.722 -3.182 28 H LYS 5 H LYS 5 -19.282 -11.669 -2.599 29 HA LYS 5 HA LYS 5 -20.720 -9.157 -3.080 30 1HB LYS 5 2HB LYS 5 -20.966 -11.653 -4.214 31 2HB LYS 5 1HB LYS 5 -22.255 -11.677 -3.024 32 1HG LYS 5 2HG LYS 5 -23.303 -10.881 -4.921 33 2HG LYS 5 1HG LYS 5 -22.940 -9.412 -4.018 34 1HD LYS 5 2HD LYS 5 -21.268 -8.765 -5.481 35 2HD LYS 5 1HD LYS 5 -20.997 -10.408 -6.066 36 1HE LYS 5 2HE LYS 5 -23.344 -8.619 -6.675 37 2HE LYS 5 1HE LYS 5 -22.085 -9.143 -7.793 38 1HZ LYS 5 1HZ LYS 5 -22.974 -11.496 -7.011 39 2HZ LYS 5 3HZ LYS 5 -24.396 -10.606 -6.782 40 3HZ LYS 5 2HZ LYS 5 -23.667 -10.656 -8.306 41 H LYS 6 H LYS 6 -22.003 -8.229 -1.544 42 HA LYS 6 HA LYS 6 -22.938 -9.819 0.705 43 1HB LYS 6 2HB LYS 6 -20.826 -7.740 0.908 44 2HB LYS 6 1HB LYS 6 -22.045 -7.760 2.175 45 1HG LYS 6 2HG LYS 6 -21.522 -10.180 2.520 46 2HG LYS 6 1HG LYS 6 -20.180 -9.984 1.391 47 1HD LYS 6 2HD LYS 6 -18.992 -8.621 2.832 48 2HD LYS 6 1HD LYS 6 -20.432 -8.141 3.730 49 1HE LYS 6 2HE LYS 6 -19.813 -11.018 3.840 50 2HE LYS 6 1HE LYS 6 -18.612 -9.972 4.597 51 1HZ LYS 6 1HZ LYS 6 -20.488 -8.929 5.835 52 2HZ LYS 6 3HZ LYS 6 -21.501 -10.147 5.241 53 3HZ LYS 6 2HZ LYS 6 -20.195 -10.545 6.239 54 H VAL 7 H VAL 7 -25.011 -9.371 0.913 55 HA VAL 7 HA VAL 7 -26.247 -7.128 -0.263 56 HB VAL 7 HB VAL 7 -28.217 -8.128 0.185 57 1HG1 VAL 7 3HG1 VAL 7 -26.706 -9.948 -0.536 58 2HG1 VAL 7 2HG1 VAL 7 -26.478 -10.380 1.160 59 3HG1 VAL 7 1HG1 VAL 7 -28.076 -10.504 0.426 60 1HG2 VAL 7 2HG2 VAL 7 -27.194 -8.561 2.984 61 2HG2 VAL 7 1HG2 VAL 7 -28.516 -7.525 2.444 62 3HG2 VAL 7 3HG2 VAL 7 -28.702 -9.279 2.421 63 H TYR 8 H TYR 8 -27.127 -5.295 0.562 64 HA TYR 8 HA TYR 8 -26.005 -4.378 3.083 65 1HB TYR 8 2HB TYR 8 -26.107 -2.931 0.985 66 2HB TYR 8 1HB TYR 8 -27.849 -2.867 1.217 67 HD1 TYR 8 HD2 TYR 8 -26.915 -2.853 4.482 68 HD2 TYR 8 HD1 TYR 8 -26.498 -0.390 1.029 69 HE1 TYR 8 HE2 TYR 8 -26.643 -0.893 5.918 70 HE2 TYR 8 HE1 TYR 8 -26.225 1.579 2.472 71 HH TYR 8 HH TYR 8 -26.682 1.398 5.940 72 H GLU 9 H GLU 9 -27.083 -5.036 4.842 73 HA GLU 9 HA GLU 9 -29.657 -6.025 4.885 74 1HB GLU 9 2HB GLU 9 -28.701 -4.632 7.337 75 2HB GLU 9 1HB GLU 9 -29.410 -6.231 7.157 76 1HG GLU 9 2HG GLU 9 -27.221 -6.890 6.034 77 2HG GLU 9 1HG GLU 9 -26.578 -5.379 6.677 78 H ASN 10 H ASN 10 -31.218 -4.879 6.678 79 HA ASN 10 HA ASN 10 -33.090 -3.465 6.299 80 1HB ASN 10 2HB ASN 10 -32.547 -1.369 7.594 81 2HB ASN 10 1HB ASN 10 -32.146 -2.876 8.411 82 1HD2 ASN 10 2HD2 ASN 10 -28.724 -2.278 8.547 83 2HD2 ASN 10 1HD2 ASN 10 -30.020 -3.396 8.781 84 H TYR 11 H TYR 11 -33.732 -2.846 4.332 85 HA TYR 11 HA TYR 11 -33.235 -0.281 3.343 86 1HB TYR 11 2HB TYR 11 -31.085 -1.907 2.776 87 2HB TYR 11 1HB TYR 11 -32.037 -2.046 1.307 88 HD1 TYR 11 HD1 TYR 11 -33.160 0.596 0.942 89 HD2 TYR 11 HD2 TYR 11 -29.298 -0.514 2.344 90 HE1 TYR 11 HE1 TYR 11 -32.261 2.746 0.157 91 HE2 TYR 11 HE2 TYR 11 -28.392 1.634 1.564 92 HH TYR 11 HH TYR 11 -29.550 3.458 -0.557 93 HA PRO 12 HA PRO 12 -37.081 -2.497 1.987 94 1HB PRO 12 2HB PRO 12 -37.977 0.339 2.113 95 2HB PRO 12 1HB PRO 12 -38.768 -1.123 2.716 96 1HG PRO 12 2HG PRO 12 -37.577 0.551 4.400 97 2HG PRO 12 1HG PRO 12 -37.446 -1.203 4.628 98 1HD PRO 12 2HD PRO 12 -35.442 0.719 3.510 99 2HD PRO 12 1HD PRO 12 -35.192 -0.670 4.590 100 H VAL 13 H VAL 13 -34.877 -0.653 0.484 101 HA VAL 13 HA VAL 13 -34.470 -0.703 -1.813 102 HB VAL 13 HB VAL 13 -37.452 -0.547 -2.178 103 1HG1 VAL 13 1HG1 VAL 13 -35.179 -0.387 -4.098 104 2HG1 VAL 13 3HG1 VAL 13 -36.736 -1.043 -4.603 105 3HG1 VAL 13 2HG1 VAL 13 -36.630 0.609 -3.995 106 1HG2 VAL 13 3HG2 VAL 13 -35.490 -2.770 -2.164 107 2HG2 VAL 13 2HG2 VAL 13 -37.194 -2.775 -1.716 108 3HG2 VAL 13 1HG2 VAL 13 -36.733 -2.815 -3.415 109 H SER 14 H SER 14 -37.369 1.317 -1.369 110 HA SER 14 HA SER 14 -37.639 3.505 -2.142 111 1HB SER 14 2HB SER 14 -37.097 4.915 -0.373 112 2HB SER 14 1HB SER 14 -37.051 3.333 0.403 113 HG SER 14 HG SER 14 -34.752 4.547 -0.714 114 H LYS 15 H LYS 15 -36.785 3.568 -4.211 115 HA LYS 15 HA LYS 15 -35.568 4.801 -5.751 116 1HB LYS 15 2HB LYS 15 -33.249 4.966 -3.832 117 2HB LYS 15 1HB LYS 15 -33.572 5.957 -5.242 118 1HG LYS 15 2HG LYS 15 -35.783 6.230 -3.460 119 2HG LYS 15 1HG LYS 15 -34.304 6.448 -2.528 120 1HD LYS 15 2HD LYS 15 -34.690 7.885 -5.136 121 2HD LYS 15 1HD LYS 15 -35.416 8.498 -3.652 122 1HE LYS 15 2HE LYS 15 -32.501 7.807 -3.798 123 2HE LYS 15 1HE LYS 15 -33.102 9.383 -4.313 124 1HZ LYS 15 3HZ LYS 15 -34.221 8.820 -1.821 125 2HZ LYS 15 2HZ LYS 15 -32.567 8.486 -1.708 126 3HZ LYS 15 1HZ LYS 15 -33.087 10.016 -2.206 127 H CYS 16 H CYS 16 -32.435 4.072 -5.089 128 HA CYS 16 HA CYS 16 -30.997 2.385 -5.597 129 1HB CYS 16 2HB CYS 16 -33.327 0.939 -4.940 130 2HB CYS 16 1HB CYS 16 -32.753 0.255 -6.455 131 H GLN 17 H GLN 17 -33.830 2.437 -7.755 132 HA GLN 17 HA GLN 17 -32.496 1.580 -10.063 133 1HB GLN 17 2HB GLN 17 -34.793 3.532 -10.064 134 2HB GLN 17 1HB GLN 17 -34.383 2.344 -11.293 135 1HG GLN 17 2HG GLN 17 -34.793 0.633 -9.371 136 2HG GLN 17 1HG GLN 17 -35.705 1.958 -8.650 137 1HE2 GLN 17 2HE2 GLN 17 -37.020 0.338 -12.178 138 2HE2 GLN 17 1HE2 GLN 17 -35.333 0.377 -11.810 139 H LEU 18 H LEU 18 -32.162 4.421 -8.317 140 HA LEU 18 HA LEU 18 -31.544 6.229 -10.427 141 1HB LEU 18 2HB LEU 18 -30.908 6.261 -7.480 142 2HB LEU 18 1HB LEU 18 -30.516 7.578 -8.570 143 HG LEU 18 HG LEU 18 -32.634 7.821 -7.181 144 1HD1 LEU 18 3HD1 LEU 18 -32.043 9.136 -9.238 145 2HD1 LEU 18 2HD1 LEU 18 -33.034 8.004 -10.158 146 3HD1 LEU 18 1HD1 LEU 18 -33.769 9.001 -8.902 147 1HD2 LEU 18 2HD2 LEU 18 -33.374 5.458 -7.597 148 2HD2 LEU 18 1HD2 LEU 18 -34.606 6.689 -7.865 149 3HD2 LEU 18 3HD2 LEU 18 -33.783 5.950 -9.239 150 H ALA 19 H ALA 19 -29.601 4.236 -8.241 151 HA ALA 19 HA ALA 19 -27.621 3.122 -8.869 152 1HB ALA 19 2HB ALA 19 -27.904 4.083 -11.229 153 2HB ALA 19 1HB ALA 19 -26.873 5.402 -10.666 154 3HB ALA 19 3HB ALA 19 -26.271 3.745 -10.662 155 H ASN 20 H ASN 20 -28.406 5.807 -7.328 156 HA ASN 20 HA ASN 20 -25.689 6.580 -6.573 157 1HB ASN 20 2HB ASN 20 -27.358 8.347 -7.105 158 2HB ASN 20 1HB ASN 20 -28.324 7.805 -5.736 159 1HD2 ASN 20 2HD2 ASN 20 -24.649 9.229 -4.692 160 2HD2 ASN 20 1HD2 ASN 20 -24.821 8.018 -5.912 161 H GLN 21 H GLN 21 -27.737 7.319 -4.101 162 HA GLN 21 HA GLN 21 -26.966 6.555 -1.883 163 1HB GLN 21 2HB GLN 21 -29.527 5.354 -2.923 164 2HB GLN 21 1HB GLN 21 -29.058 5.284 -1.231 165 1HG GLN 21 2HG GLN 21 -29.408 7.825 -2.803 166 2HG GLN 21 1HG GLN 21 -30.635 7.112 -1.757 167 1HE2 GLN 21 2HE2 GLN 21 -28.180 7.624 1.067 168 2HE2 GLN 21 1HE2 GLN 21 -28.678 6.214 0.205 169 H CYS 22 H CYS 22 -28.264 3.770 -3.678 170 HA CYS 22 HA CYS 22 -27.108 1.793 -2.094 171 1HB CYS 22 2HB CYS 22 -28.914 1.601 -3.928 172 2HB CYS 22 1HB CYS 22 -27.564 1.446 -5.048 173 H ASN 23 H ASN 23 -26.052 2.542 -5.417 174 HA ASN 23 HA ASN 23 -23.628 1.241 -5.329 175 1HB ASN 23 2HB ASN 23 -24.876 2.560 -7.267 176 2HB ASN 23 1HB ASN 23 -23.764 3.844 -6.794 177 1HD2 ASN 23 2HD2 ASN 23 -21.721 2.361 -9.243 178 2HD2 ASN 23 1HD2 ASN 23 -22.871 3.611 -8.923 179 H TYR 24 H TYR 24 -24.258 4.665 -4.592 180 HA TYR 24 HA TYR 24 -21.667 5.406 -3.905 181 1HB TYR 24 2HB TYR 24 -23.089 7.218 -4.068 182 2HB TYR 24 1HB TYR 24 -24.390 6.412 -3.202 183 HD1 TYR 24 HD1 TYR 24 -20.858 7.376 -2.428 184 HD2 TYR 24 HD2 TYR 24 -24.935 7.441 -1.214 185 HE1 TYR 24 HE1 TYR 24 -20.223 8.579 -0.380 186 HE2 TYR 24 HE2 TYR 24 -24.312 8.646 0.837 187 HH TYR 24 HH TYR 24 -21.805 8.739 2.227 188 H ASP 25 H ASP 25 -24.253 4.102 -1.844 189 HA ASP 25 HA ASP 25 -22.894 4.183 0.588 190 1HB ASP 25 2HB ASP 25 -25.059 2.356 -0.439 191 2HB ASP 25 1HB ASP 25 -24.431 2.230 1.201 192 H CYS 26 H CYS 26 -23.185 1.417 -1.658 193 HA CYS 26 HA CYS 26 -21.497 -0.293 -0.254 194 1HB CYS 26 2HB CYS 26 -21.792 -0.159 -3.264 195 2HB CYS 26 1HB CYS 26 -21.239 -1.543 -2.331 196 H LYS 27 H LYS 27 -20.737 2.025 -2.832 197 HA LYS 27 HA LYS 27 -17.979 1.547 -2.967 198 1HB LYS 27 2HB LYS 27 -19.670 3.065 -4.390 199 2HB LYS 27 1HB LYS 27 -18.946 4.324 -3.399 200 1HG LYS 27 2HG LYS 27 -16.775 3.848 -4.226 201 2HG LYS 27 1HG LYS 27 -17.330 2.365 -5.007 202 1HD LYS 27 2HD LYS 27 -17.070 4.068 -6.683 203 2HD LYS 27 1HD LYS 27 -18.792 3.747 -6.467 204 1HE LYS 27 2HE LYS 27 -17.603 5.904 -4.812 205 2HE LYS 27 1HE LYS 27 -17.778 6.222 -6.538 206 1HZ LYS 27 2HZ LYS 27 -19.983 5.311 -4.771 207 2HZ LYS 27 1HZ LYS 27 -19.711 6.922 -5.208 208 3HZ LYS 27 3HZ LYS 27 -20.113 5.781 -6.390 209 H LEU 28 H LEU 28 -19.479 2.245 -0.260 210 HA LEU 28 HA LEU 28 -17.161 3.323 1.016 211 1HB LEU 28 2HB LEU 28 -18.584 5.280 -0.002 212 2HB LEU 28 1HB LEU 28 -19.655 4.963 1.340 213 HG LEU 28 HG LEU 28 -17.260 6.559 1.272 214 1HD1 LEU 28 3HD1 LEU 28 -19.481 7.098 2.284 215 2HD1 LEU 28 2HD1 LEU 28 -19.063 6.018 3.615 216 3HD1 LEU 28 1HD1 LEU 28 -18.084 7.451 3.302 217 1HD2 LEU 28 1HD2 LEU 28 -17.151 4.211 3.137 218 2HD2 LEU 28 3HD2 LEU 28 -15.895 4.840 2.074 219 3HD2 LEU 28 2HD2 LEU 28 -16.367 5.740 3.512 220 H ASP 29 H ASP 29 -19.377 4.415 3.000 221 HA ASP 29 HA ASP 29 -20.043 3.651 5.053 222 1HB ASP 29 2HB ASP 29 -21.493 1.933 3.055 223 2HB ASP 29 1HB ASP 29 -21.820 1.806 4.781 224 H LYS 30 H LYS 30 -19.976 0.492 3.418 225 HA LYS 30 HA LYS 30 -18.518 -0.603 5.694 226 1HB LYS 30 2HB LYS 30 -19.344 -2.281 3.369 227 2HB LYS 30 1HB LYS 30 -19.329 -2.670 5.084 228 1HG LYS 30 2HG LYS 30 -21.304 -1.304 5.435 229 2HG LYS 30 1HG LYS 30 -21.299 -0.838 3.732 230 1HD LYS 30 2HD LYS 30 -21.924 -2.964 3.021 231 2HD LYS 30 1HD LYS 30 -21.396 -3.727 4.522 232 1HE LYS 30 2HE LYS 30 -23.853 -3.613 4.314 233 2HE LYS 30 1HE LYS 30 -23.243 -2.744 5.722 234 1HZ LYS 30 3HZ LYS 30 -23.325 -0.951 3.591 235 2HZ LYS 30 2HZ LYS 30 -24.807 -1.762 3.609 236 3HZ LYS 30 1HZ LYS 30 -24.274 -0.946 4.991 237 H HIS 31 H HIS 31 -17.740 0.782 2.795 238 HA HIS 31 HA HIS 31 -15.670 1.058 1.842 239 1HB HIS 31 2HB HIS 31 -14.557 -1.371 3.186 240 2HB HIS 31 1HB HIS 31 -13.753 0.132 2.750 241 HD1 HIS 31 HD1 HIS 31 -13.798 -1.306 5.622 242 HD2 HIS 31 HD2 HIS 31 -15.956 2.053 4.468 243 HE1 HIS 31 HE1 HIS 31 -14.332 -0.084 7.754 244 HE2 HIS 31 HE2 HIS 31 -15.626 1.953 7.032 245 H ALA 32 H ALA 32 -17.707 -0.268 0.539 246 HA ALA 32 HA ALA 32 -16.583 -2.682 -0.637 247 1HB ALA 32 1HB ALA 32 -19.169 -1.906 -0.154 248 2HB ALA 32 3HB ALA 32 -19.013 -1.597 -1.882 249 3HB ALA 32 2HB ALA 32 -18.692 -3.207 -1.245 250 H ARG 33 H ARG 33 -16.818 -2.793 -3.141 251 HA ARG 33 HA ARG 33 -15.314 -0.522 -4.204 252 1HB ARG 33 2HB ARG 33 -14.684 -3.058 -4.412 253 2HB ARG 33 1HB ARG 33 -15.857 -3.053 -5.720 254 1HG ARG 33 2HG ARG 33 -13.725 -0.975 -5.724 255 2HG ARG 33 1HG ARG 33 -13.304 -2.628 -6.169 256 1HD ARG 33 2HD ARG 33 -15.709 -1.399 -7.415 257 2HD ARG 33 1HD ARG 33 -14.120 -0.874 -7.968 258 HE ARG 33 HE ARG 33 -14.056 -3.629 -7.984 259 1HH1 ARG 33 1HH2 ARG 33 -15.933 -1.126 -9.513 260 2HH1 ARG 33 2HH2 ARG 33 -16.236 -2.049 -10.946 261 1HH2 ARG 33 2HH1 ARG 33 -14.458 -4.858 -9.863 262 2HH2 ARG 33 1HH1 ARG 33 -15.401 -4.173 -11.145 263 H SER 34 H SER 34 -18.346 -2.187 -4.512 264 HA SER 34 HA SER 34 -19.608 -0.040 -5.819 265 1HB SER 34 2HB SER 34 -19.940 -0.864 -8.032 266 2HB SER 34 1HB SER 34 -18.210 -0.991 -7.717 267 HG SER 34 HG SER 34 -18.352 -3.125 -7.666 268 H GLY 35 H GLY 35 -21.655 -1.378 -7.158 269 1HA GLY 35 2HA GLY 35 -22.752 -3.623 -6.004 270 2HA GLY 35 1HA GLY 35 -23.201 -2.299 -4.939 271 H GLU 36 H GLU 36 -25.317 -3.390 -5.834 272 HA GLU 36 HA GLU 36 -26.637 -1.464 -7.365 273 1HB GLU 36 2HB GLU 36 -25.127 -3.148 -8.990 274 2HB GLU 36 1HB GLU 36 -26.751 -3.809 -9.108 275 1HG GLU 36 2HG GLU 36 -27.590 -1.599 -9.754 276 2HG GLU 36 1HG GLU 36 -25.946 -0.965 -9.670 277 H CYS 37 H CYS 37 -28.881 -2.061 -7.840 278 HA CYS 37 HA CYS 37 -29.896 -3.839 -5.783 279 1HB CYS 37 2HB CYS 37 -30.782 -1.447 -7.080 280 2HB CYS 37 1HB CYS 37 -32.015 -2.679 -7.303 281 H PHE 38 H PHE 38 -30.966 -5.762 -6.137 282 HA PHE 38 HA PHE 38 -31.648 -6.507 -8.883 283 1HB PHE 38 2HB PHE 38 -29.665 -8.020 -7.183 284 2HB PHE 38 1HB PHE 38 -30.462 -8.721 -8.589 285 HD1 PHE 38 HD1 PHE 38 -30.289 -7.232 -10.774 286 HD2 PHE 38 HD2 PHE 38 -27.604 -7.060 -7.477 287 HE1 PHE 38 HE1 PHE 38 -28.567 -6.255 -12.234 288 HE2 PHE 38 HE2 PHE 38 -25.875 -6.083 -8.933 289 HZ PHE 38 HZ PHE 38 -26.356 -5.679 -11.315 290 H TYR 39 H TYR 39 -33.428 -7.661 -9.038 291 HA TYR 39 HA TYR 39 -35.309 -7.996 -7.147 292 1HB TYR 39 2HB TYR 39 -34.738 -9.275 -9.714 293 2HB TYR 39 1HB TYR 39 -35.726 -10.270 -8.649 294 HD1 TYR 39 HD2 TYR 39 -35.758 -6.556 -8.817 295 HD2 TYR 39 HD1 TYR 39 -37.787 -10.174 -9.780 296 HE1 TYR 39 HE2 TYR 39 -37.745 -5.263 -9.469 297 HE2 TYR 39 HE1 TYR 39 -39.778 -8.888 -10.438 298 HH TYR 39 HH TYR 39 -39.821 -5.338 -10.245 299 H ASP 40 H ASP 40 -36.191 -9.925 -6.100 300 HA ASP 40 HA ASP 40 -34.175 -11.862 -5.221 301 1HB ASP 40 2HB ASP 40 -34.945 -11.624 -2.881 302 2HB ASP 40 1HB ASP 40 -34.209 -10.145 -3.489 303 H GLU 41 H GLU 41 -35.825 -13.117 -3.315 304 HA GLU 41 HA GLU 41 -37.295 -14.831 -4.978 305 1HB GLU 41 2HB GLU 41 -37.900 -14.626 -2.057 306 2HB GLU 41 1HB GLU 41 -37.767 -16.059 -3.070 307 1HG GLU 41 2HG GLU 41 -35.304 -15.570 -3.234 308 2HG GLU 41 1HG GLU 41 -35.547 -14.359 -1.977 309 H LYS 42 H LYS 42 -38.177 -11.938 -3.264 310 HA LYS 42 HA LYS 42 -41.023 -12.380 -3.823 311 1HB LYS 42 2HB LYS 42 -39.699 -10.196 -2.208 312 2HB LYS 42 1HB LYS 42 -41.427 -10.478 -2.341 313 1HG LYS 42 2HG LYS 42 -39.428 -12.365 -1.110 314 2HG LYS 42 1HG LYS 42 -40.517 -11.299 -0.226 315 1HD LYS 42 2HD LYS 42 -41.249 -13.653 -1.962 316 2HD LYS 42 1HD LYS 42 -41.467 -13.491 -0.221 317 1HE LYS 42 2HE LYS 42 -42.962 -11.487 -0.794 318 2HE LYS 42 1HE LYS 42 -42.965 -12.130 -2.436 319 1HZ LYS 42 3HZ LYS 42 -43.506 -14.234 -0.681 320 2HZ LYS 42 2HZ LYS 42 -44.514 -12.946 -0.252 321 3HZ LYS 42 1HZ LYS 42 -44.535 -13.544 -1.834 322 H ARG 43 H ARG 43 -39.031 -11.730 -5.915 323 HA ARG 43 HA ARG 43 -38.872 -10.441 -7.780 324 1HB ARG 43 2HB ARG 43 -41.623 -9.562 -6.908 325 2HB ARG 43 1HB ARG 43 -40.903 -9.187 -8.467 326 1HG ARG 43 2HG ARG 43 -40.971 -11.416 -9.165 327 2HG ARG 43 1HG ARG 43 -41.227 -12.013 -7.523 328 1HD ARG 43 2HD ARG 43 -43.235 -10.155 -8.683 329 2HD ARG 43 1HD ARG 43 -43.213 -11.820 -9.255 330 HE ARG 43 HE ARG 43 -43.356 -12.360 -6.751 331 1HH1 ARG 43 1HH2 ARG 43 -44.839 -9.602 -8.284 332 2HH1 ARG 43 2HH2 ARG 43 -46.098 -9.462 -7.104 333 1HH2 ARG 43 2HH1 ARG 43 -45.016 -12.185 -5.198 334 2HH2 ARG 43 1HH1 ARG 43 -46.204 -10.934 -5.356 335 H ASN 44 H ASN 44 -38.607 -9.234 -4.810 336 HA ASN 44 HA ASN 44 -38.525 -6.409 -5.569 337 1HB ASN 44 2HB ASN 44 -38.229 -7.803 -2.904 338 2HB ASN 44 1HB ASN 44 -38.015 -6.069 -3.118 339 1HD2 ASN 44 2HD2 ASN 44 -41.631 -7.531 -2.510 340 2HD2 ASN 44 1HD2 ASN 44 -40.149 -8.366 -2.213 341 H LEU 45 H LEU 45 -36.710 -5.141 -5.471 342 HA LEU 45 HA LEU 45 -34.232 -6.580 -5.883 343 1HB LEU 45 2HB LEU 45 -33.420 -4.248 -6.527 344 2HB LEU 45 1HB LEU 45 -34.553 -5.060 -7.584 345 HG LEU 45 HG LEU 45 -35.552 -3.145 -5.506 346 1HD1 LEU 45 2HD1 LEU 45 -34.244 -2.476 -8.119 347 2HD1 LEU 45 1HD1 LEU 45 -35.489 -1.438 -7.425 348 3HD1 LEU 45 3HD1 LEU 45 -34.000 -1.745 -6.533 349 1HD2 LEU 45 3HD2 LEU 45 -36.852 -4.777 -7.267 350 2HD2 LEU 45 2HD2 LEU 45 -37.518 -3.293 -6.590 351 3HD2 LEU 45 1HD2 LEU 45 -36.764 -3.273 -8.183 352 H GLN 46 H GLN 46 -32.767 -6.862 -4.439 353 HA GLN 46 HA GLN 46 -32.712 -5.150 -2.057 354 1HB GLN 46 2HB GLN 46 -31.807 -7.936 -2.655 355 2HB GLN 46 1HB GLN 46 -30.970 -7.039 -1.396 356 1HG GLN 46 2HG GLN 46 -33.244 -6.616 -0.374 357 2HG GLN 46 1HG GLN 46 -33.866 -7.818 -1.504 358 1HE2 GLN 46 2HE2 GLN 46 -32.210 -8.959 1.920 359 2HE2 GLN 46 1HE2 GLN 46 -32.661 -7.337 1.534 360 H CYS 47 H CYS 47 -30.780 -4.163 -1.379 361 HA CYS 47 HA CYS 47 -29.090 -3.307 -3.537 362 1HB CYS 47 2HB CYS 47 -29.656 -2.477 -0.785 363 2HB CYS 47 1HB CYS 47 -27.968 -2.270 -1.235 364 H ILE 48 H ILE 48 -27.746 -4.904 -4.249 365 HA ILE 48 HA ILE 48 -26.193 -6.455 -2.353 366 HB ILE 48 HB ILE 48 -26.232 -6.530 -5.364 367 1HG1 ILE 48 2HG1 ILE 48 -27.417 -8.373 -3.275 368 2HG1 ILE 48 1HG1 ILE 48 -28.315 -7.322 -4.365 369 1HG2 ILE 48 2HG2 ILE 48 -24.795 -8.266 -3.367 370 2HG2 ILE 48 1HG2 ILE 48 -24.989 -8.667 -5.074 371 3HG2 ILE 48 3HG2 ILE 48 -24.071 -7.237 -4.603 372 1HD1 ILE 48 1HD1 ILE 48 -26.898 -8.777 -6.137 373 2HD1 ILE 48 3HD1 ILE 48 -27.107 -9.950 -4.838 374 3HD1 ILE 48 2HD1 ILE 48 -28.518 -9.191 -5.577 375 H CYS 49 H CYS 49 -24.334 -5.709 -1.556 376 HA CYS 49 HA CYS 49 -22.848 -3.656 -3.033 377 1HB CYS 49 2HB CYS 49 -22.737 -4.611 -0.177 378 2HB CYS 49 1HB CYS 49 -21.531 -3.526 -0.856 379 H ASP 50 H ASP 50 -21.167 -4.173 -4.215 380 HA ASP 50 HA ASP 50 -19.850 -6.763 -3.824 381 1HB ASP 50 2HB ASP 50 -20.494 -6.462 -6.085 382 2HB ASP 50 1HB ASP 50 -19.908 -4.801 -6.112 383 H TYR 51 H TYR 51 -17.816 -6.964 -3.173 384 HA TYR 51 HA TYR 51 -16.386 -4.512 -2.418 385 1HB TYR 51 2HB TYR 51 -16.291 -7.344 -1.404 386 2HB TYR 51 1HB TYR 51 -15.100 -6.134 -0.934 387 HD1 TYR 51 HD1 TYR 51 -18.828 -6.344 -1.220 388 HD2 TYR 51 HD2 TYR 51 -15.477 -5.176 1.125 389 HE1 TYR 51 HE1 TYR 51 -20.345 -5.564 0.537 390 HE2 TYR 51 HE2 TYR 51 -16.988 -4.394 2.902 391 HH TYR 51 HH TYR 51 -20.254 -5.177 3.013 392 H CYS 52 H CYS 52 -16.129 -7.413 -4.346 393 HA CYS 52 HA CYS 52 -13.661 -6.375 -5.513 394 1HB CYS 52 2HB CYS 52 -13.697 -9.300 -4.930 395 2HB CYS 52 1HB CYS 52 -12.335 -8.194 -5.054 396 H GLU 53 H GLU 53 -15.537 -5.959 -7.058 397 HA GLU 53 HA GLU 53 -16.670 -6.428 -8.981 398 1HB GLU 53 2HB GLU 53 -14.341 -6.611 -9.752 399 2HB GLU 53 1HB GLU 53 -14.341 -8.320 -9.350 400 1HG GLU 53 2HG GLU 53 -14.765 -8.464 -11.576 401 2HG GLU 53 1HG GLU 53 -16.421 -8.336 -10.985 402 H TYR 54 HN TYR 54 -15.419 -9.671 -9.078 403 HA TYR 54 HA TYR 54 -17.633 -11.047 -9.629 404 1HB TYR 54 2HB TYR 54 -15.146 -11.703 -8.231 405 2HB TYR 54 1HB TYR 54 -16.477 -12.761 -7.767 406 HD1 TYR 54 HD1 TYR 54 -15.871 -11.165 -11.058 407 HD2 TYR 54 HD2 TYR 54 -15.926 -14.786 -8.824 408 HE1 TYR 54 HE1 TYR 54 -15.586 -12.438 -13.130 409 HE2 TYR 54 HE2 TYR 54 -15.632 -16.075 -10.899 410 HH TYR 54 HH TYR 54 -14.695 -15.666 -13.205 No H/Q in entry = 410 Start of MODEL 33 1 HN PCA 1 HN PCA 1 -17.613 -18.112 -8.768 2 HA PCA 1 HA PCA 1 -15.544 -17.886 -10.218 3 1HB PCA 1 1HB PCA 1 -15.915 -18.232 -12.424 4 2HB PCA 1 2HB PCA 1 -16.788 -16.686 -12.513 5 1HG PCA 1 1HG PCA 1 -17.894 -19.344 -12.555 6 2HG PCA 1 2HG PCA 1 -18.776 -17.807 -12.559 7 H ASP 2 H ASP 2 -17.283 -16.278 -8.397 8 HA ASP 2 HA ASP 2 -16.094 -13.692 -8.998 9 1HB ASP 2 2HB ASP 2 -19.070 -14.081 -8.627 10 2HB ASP 2 1HB ASP 2 -18.263 -12.516 -8.590 11 H LYS 3 H LYS 3 -18.758 -14.479 -6.820 12 HA LYS 3 HA LYS 3 -18.976 -14.216 -4.571 13 1HB LYS 3 2HB LYS 3 -17.905 -16.319 -4.437 14 2HB LYS 3 1HB LYS 3 -16.334 -15.635 -4.820 15 1HG LYS 3 2HG LYS 3 -17.488 -14.499 -2.393 16 2HG LYS 3 1HG LYS 3 -17.286 -16.246 -2.291 17 1HD LYS 3 2HD LYS 3 -14.991 -16.129 -2.473 18 2HD LYS 3 1HD LYS 3 -15.023 -14.585 -3.321 19 1HE LYS 3 2HE LYS 3 -15.832 -13.543 -1.178 20 2HE LYS 3 1HE LYS 3 -15.495 -15.086 -0.391 21 1HZ LYS 3 2HZ LYS 3 -13.478 -13.501 -1.883 22 2HZ LYS 3 1HZ LYS 3 -13.674 -13.447 -0.204 23 3HZ LYS 3 3HZ LYS 3 -13.196 -14.886 -0.955 24 H CYS 4 H CYS 4 -19.067 -12.117 -4.063 25 HA CYS 4 HA CYS 4 -17.111 -10.866 -2.578 26 1HB CYS 4 2HB CYS 4 -16.461 -10.813 -5.352 27 2HB CYS 4 1HB CYS 4 -16.891 -9.173 -4.883 28 H LYS 5 H LYS 5 -20.067 -11.158 -3.091 29 HA LYS 5 HA LYS 5 -20.713 -8.342 -2.648 30 1HB LYS 5 2HB LYS 5 -22.568 -8.359 -4.162 31 2HB LYS 5 1HB LYS 5 -21.140 -8.885 -5.040 32 1HG LYS 5 2HG LYS 5 -23.332 -10.646 -3.967 33 2HG LYS 5 1HG LYS 5 -23.035 -10.235 -5.657 34 1HD LYS 5 2HD LYS 5 -20.677 -11.239 -5.205 35 2HD LYS 5 1HD LYS 5 -21.466 -12.013 -3.831 36 1HE LYS 5 2HE LYS 5 -22.523 -12.210 -6.644 37 2HE LYS 5 1HE LYS 5 -21.364 -13.357 -5.976 38 1HZ LYS 5 1HZ LYS 5 -22.975 -13.814 -4.187 39 2HZ LYS 5 3HZ LYS 5 -24.096 -12.805 -4.955 40 3HZ LYS 5 2HZ LYS 5 -23.568 -14.218 -5.719 41 H LYS 6 H LYS 6 -22.598 -7.936 -1.449 42 HA LYS 6 HA LYS 6 -24.047 -10.218 -0.357 43 1HB LYS 6 2HB LYS 6 -23.570 -9.739 1.933 44 2HB LYS 6 1HB LYS 6 -22.032 -9.865 1.092 45 1HG LYS 6 2HG LYS 6 -21.825 -7.453 1.038 46 2HG LYS 6 1HG LYS 6 -23.410 -7.278 1.791 47 1HD LYS 6 2HD LYS 6 -21.617 -6.998 3.423 48 2HD LYS 6 1HD LYS 6 -22.604 -8.415 3.786 49 1HE LYS 6 2HE LYS 6 -20.017 -8.586 3.911 50 2HE LYS 6 1HE LYS 6 -20.943 -9.894 3.179 51 1HZ LYS 6 1HZ LYS 6 -19.881 -7.706 1.514 52 2HZ LYS 6 3HZ LYS 6 -18.885 -8.999 1.962 53 3HZ LYS 6 2HZ LYS 6 -20.290 -9.284 1.064 54 H VAL 7 H VAL 7 -26.131 -9.760 0.061 55 HA VAL 7 HA VAL 7 -27.237 -7.285 -0.731 56 HB VAL 7 HB VAL 7 -29.347 -8.155 -0.227 57 1HG1 VAL 7 2HG1 VAL 7 -27.477 -10.407 -0.919 58 2HG1 VAL 7 1HG1 VAL 7 -29.234 -10.548 -0.986 59 3HG1 VAL 7 3HG1 VAL 7 -28.402 -9.385 -2.018 60 1HG2 VAL 7 2HG2 VAL 7 -27.920 -9.725 1.874 61 2HG2 VAL 7 1HG2 VAL 7 -29.377 -8.740 2.001 62 3HG2 VAL 7 3HG2 VAL 7 -29.448 -10.326 1.232 63 H TYR 8 H TYR 8 -27.993 -5.546 0.407 64 HA TYR 8 HA TYR 8 -26.965 -5.221 3.092 65 1HB TYR 8 2HB TYR 8 -27.015 -3.432 1.247 66 2HB TYR 8 1HB TYR 8 -28.724 -3.272 1.611 67 HD1 TYR 8 HD2 TYR 8 -27.784 -3.898 4.752 68 HD2 TYR 8 HD1 TYR 8 -26.992 -0.973 1.763 69 HE1 TYR 8 HE2 TYR 8 -27.250 -2.268 6.499 70 HE2 TYR 8 HE1 TYR 8 -26.451 0.666 3.511 71 HH TYR 8 HH TYR 8 -27.056 0.046 6.867 72 H GLU 9 H GLU 9 -28.594 -7.236 3.325 73 HA GLU 9 HA GLU 9 -30.712 -8.015 3.938 74 1HB GLU 9 2HB GLU 9 -30.095 -6.111 6.193 75 2HB GLU 9 1HB GLU 9 -30.960 -7.639 6.285 76 1HG GLU 9 2HG GLU 9 -28.745 -8.666 5.431 77 2HG GLU 9 1HG GLU 9 -28.033 -7.143 5.963 78 H ASN 10 H ASN 10 -32.276 -6.420 5.933 79 HA ASN 10 HA ASN 10 -34.320 -5.527 4.271 80 1HB ASN 10 2HB ASN 10 -35.235 -4.436 6.326 81 2HB ASN 10 1HB ASN 10 -34.783 -6.124 6.551 82 1HD2 ASN 10 2HD2 ASN 10 -32.758 -5.415 9.232 83 2HD2 ASN 10 1HD2 ASN 10 -33.789 -6.505 8.377 84 H TYR 11 H TYR 11 -32.487 -4.267 2.935 85 HA TYR 11 HA TYR 11 -31.643 -1.735 3.701 86 1HB TYR 11 2HB TYR 11 -30.965 -3.012 1.630 87 2HB TYR 11 1HB TYR 11 -32.479 -2.496 0.901 88 HD1 TYR 11 HD2 TYR 11 -29.583 -0.955 2.712 89 HD2 TYR 11 HD1 TYR 11 -32.389 -0.652 -0.472 90 HE1 TYR 11 HE2 TYR 11 -28.518 1.139 1.980 91 HE2 TYR 11 HE1 TYR 11 -31.332 1.441 -1.213 92 HH TYR 11 HH TYR 11 -29.182 2.591 -1.033 93 HA PRO 12 HA PRO 12 -35.571 0.452 4.255 94 1HB PRO 12 2HB PRO 12 -33.781 2.644 3.257 95 2HB PRO 12 1HB PRO 12 -34.966 2.680 4.570 96 1HG PRO 12 2HG PRO 12 -32.371 2.445 5.104 97 2HG PRO 12 1HG PRO 12 -33.574 1.531 6.032 98 1HD PRO 12 2HD PRO 12 -31.663 0.583 3.971 99 2HD PRO 12 1HD PRO 12 -32.374 -0.294 5.340 100 H VAL 13 H VAL 13 -36.554 -0.628 2.461 101 HA VAL 13 HA VAL 13 -36.063 -0.234 -0.219 102 HB VAL 13 HB VAL 13 -38.891 -0.451 0.732 103 1HG1 VAL 13 1HG1 VAL 13 -37.304 -1.673 -1.520 104 2HG1 VAL 13 3HG1 VAL 13 -38.975 -2.094 -1.143 105 3HG1 VAL 13 2HG1 VAL 13 -38.571 -0.451 -1.644 106 1HG2 VAL 13 1HG2 VAL 13 -36.750 -2.557 0.975 107 2HG2 VAL 13 3HG2 VAL 13 -37.773 -1.903 2.255 108 3HG2 VAL 13 2HG2 VAL 13 -38.477 -2.917 0.997 109 H SER 14 H SER 14 -35.593 1.822 -0.817 110 HA SER 14 HA SER 14 -37.700 3.515 -1.581 111 1HB SER 14 2HB SER 14 -37.288 5.441 -0.118 112 2HB SER 14 1HB SER 14 -37.786 4.040 0.829 113 HG SER 14 HG SER 14 -36.048 4.767 1.895 114 H LYS 15 H LYS 15 -37.025 4.687 -3.240 115 HA LYS 15 HA LYS 15 -35.686 5.994 -4.565 116 1HB LYS 15 2HB LYS 15 -33.267 5.223 -2.930 117 2HB LYS 15 1HB LYS 15 -33.438 6.555 -4.055 118 1HG LYS 15 2HG LYS 15 -35.328 7.314 -2.412 119 2HG LYS 15 1HG LYS 15 -34.450 6.300 -1.268 120 1HD LYS 15 2HD LYS 15 -32.459 7.586 -1.538 121 2HD LYS 15 1HD LYS 15 -33.142 8.469 -2.905 122 1HE LYS 15 2HE LYS 15 -34.530 9.738 -1.563 123 2HE LYS 15 1HE LYS 15 -34.500 8.565 -0.247 124 1HZ LYS 15 1HZ LYS 15 -31.931 9.721 -0.882 125 2HZ LYS 15 3HZ LYS 15 -33.066 10.835 -0.301 126 3HZ LYS 15 2HZ LYS 15 -32.665 9.475 0.621 127 H CYS 16 H CYS 16 -33.132 3.714 -3.748 128 HA CYS 16 HA CYS 16 -31.891 2.522 -5.335 129 1HB CYS 16 2HB CYS 16 -34.099 1.214 -4.138 130 2HB CYS 16 1HB CYS 16 -33.987 0.603 -5.783 131 H GLN 17 H GLN 17 -31.526 3.550 -7.229 132 HA GLN 17 HA GLN 17 -33.510 3.187 -9.379 133 1HB GLN 17 2HB GLN 17 -31.665 5.495 -8.782 134 2HB GLN 17 1HB GLN 17 -32.348 5.249 -10.383 135 1HG GLN 17 2HG GLN 17 -34.610 5.165 -9.058 136 2HG GLN 17 1HG GLN 17 -33.681 6.051 -7.850 137 1HE2 GLN 17 2HE2 GLN 17 -34.748 8.921 -9.512 138 2HE2 GLN 17 1HE2 GLN 17 -34.872 7.926 -8.106 139 H LEU 18 H LEU 18 -31.851 1.149 -8.951 140 HA LEU 18 HA LEU 18 -30.025 -0.045 -9.709 141 1HB LEU 18 2HB LEU 18 -31.334 1.138 -12.132 142 2HB LEU 18 1HB LEU 18 -30.037 -0.036 -12.264 143 HG LEU 18 HG LEU 18 -32.509 -0.644 -10.671 144 1HD1 LEU 18 2HD1 LEU 18 -32.148 -0.686 -13.638 145 2HD1 LEU 18 1HD1 LEU 18 -33.182 -1.877 -12.849 146 3HD1 LEU 18 3HD1 LEU 18 -33.534 -0.157 -12.684 147 1HD2 LEU 18 1HD2 LEU 18 -30.436 -2.316 -12.085 148 2HD2 LEU 18 3HD2 LEU 18 -30.662 -2.147 -10.344 149 3HD2 LEU 18 2HD2 LEU 18 -31.886 -2.961 -11.318 150 H ALA 19 H ALA 19 -28.285 1.036 -8.821 151 HA ALA 19 HA ALA 19 -26.064 1.658 -9.318 152 1HB ALA 19 3HB ALA 19 -26.707 1.869 -11.778 153 2HB ALA 19 2HB ALA 19 -27.064 3.561 -11.414 154 3HB ALA 19 1HB ALA 19 -25.437 2.932 -11.177 155 H ASN 20 H ASN 20 -24.905 3.400 -8.508 156 HA ASN 20 HA ASN 20 -24.520 5.394 -7.488 157 1HB ASN 20 2HB ASN 20 -25.825 7.177 -7.949 158 2HB ASN 20 1HB ASN 20 -26.721 6.069 -8.975 159 1HD2 ASN 20 2HD2 ASN 20 -28.521 7.908 -5.973 160 2HD2 ASN 20 1HD2 ASN 20 -26.971 8.322 -6.613 161 H GLN 21 H GLN 21 -27.812 4.502 -6.388 162 HA GLN 21 HA GLN 21 -27.461 5.076 -3.730 163 1HB GLN 21 2HB GLN 21 -29.218 3.193 -5.221 164 2HB GLN 21 1HB GLN 21 -29.132 2.999 -3.475 165 1HG GLN 21 2HG GLN 21 -29.699 5.659 -4.732 166 2HG GLN 21 1HG GLN 21 -30.975 4.480 -4.433 167 1HE2 GLN 21 2HE2 GLN 21 -29.284 6.559 -1.377 168 2HE2 GLN 21 1HE2 GLN 21 -28.605 6.574 -2.965 169 H CYS 22 H CYS 22 -27.587 1.657 -4.687 170 HA CYS 22 HA CYS 22 -26.198 0.716 -2.473 171 1HB CYS 22 2HB CYS 22 -25.888 -0.758 -5.044 172 2HB CYS 22 1HB CYS 22 -26.327 -1.359 -3.447 173 H ASN 23 H ASN 23 -25.012 1.752 -5.619 174 HA ASN 23 HA ASN 23 -22.362 0.929 -5.429 175 1HB ASN 23 2HB ASN 23 -23.460 1.917 -7.454 176 2HB ASN 23 1HB ASN 23 -23.338 3.498 -6.693 177 1HD2 ASN 23 2HD2 ASN 23 -20.083 4.032 -7.683 178 2HD2 ASN 23 1HD2 ASN 23 -21.554 4.636 -7.009 179 H TYR 24 H TYR 24 -23.120 4.357 -5.196 180 HA TYR 24 HA TYR 24 -20.916 5.134 -3.779 181 1HB TYR 24 2HB TYR 24 -21.904 7.096 -4.231 182 2HB TYR 24 1HB TYR 24 -23.432 6.286 -4.540 183 HD1 TYR 24 HD1 TYR 24 -21.378 7.059 -1.532 184 HD2 TYR 24 HD2 TYR 24 -25.201 7.197 -3.386 185 HE1 TYR 24 HE1 TYR 24 -22.304 8.097 0.482 186 HE2 TYR 24 HE2 TYR 24 -26.146 8.245 -1.371 187 HH TYR 24 HH TYR 24 -25.733 8.578 0.899 188 H ASP 25 H ASP 25 -24.045 4.121 -2.401 189 HA ASP 25 HA ASP 25 -23.508 4.596 0.266 190 1HB ASP 25 2HB ASP 25 -25.091 2.343 -0.982 191 2HB ASP 25 1HB ASP 25 -25.114 2.727 0.738 192 H CYS 26 H CYS 26 -23.179 1.368 -1.231 193 HA CYS 26 HA CYS 26 -21.735 0.249 0.867 194 1HB CYS 26 2HB CYS 26 -21.381 -0.458 -2.052 195 2HB CYS 26 1HB CYS 26 -21.116 -1.505 -0.661 196 H LYS 27 H LYS 27 -20.706 2.150 -1.887 197 HA LYS 27 HA LYS 27 -17.937 1.792 -1.675 198 1HB LYS 27 2HB LYS 27 -19.368 2.952 -3.514 199 2HB LYS 27 1HB LYS 27 -19.153 4.395 -2.540 200 1HG LYS 27 2HG LYS 27 -16.929 4.565 -3.027 201 2HG LYS 27 1HG LYS 27 -16.736 2.829 -3.278 202 1HD LYS 27 2HD LYS 27 -17.397 2.928 -5.458 203 2HD LYS 27 1HD LYS 27 -18.506 4.270 -5.175 204 1HE LYS 27 2HE LYS 27 -16.625 4.959 -6.568 205 2HE LYS 27 1HE LYS 27 -16.617 5.809 -5.024 206 1HZ LYS 27 3HZ LYS 27 -15.111 3.431 -4.816 207 2HZ LYS 27 2HZ LYS 27 -14.563 4.323 -6.145 208 3HZ LYS 27 1HZ LYS 27 -14.602 5.031 -4.609 209 H LEU 28 H LEU 28 -19.810 2.797 0.745 210 HA LEU 28 HA LEU 28 -17.628 4.132 2.080 211 1HB LEU 28 2HB LEU 28 -18.757 5.945 0.781 212 2HB LEU 28 1HB LEU 28 -20.218 5.628 1.697 213 HG LEU 28 HG LEU 28 -18.947 6.195 3.782 214 1HD1 LEU 28 1HD1 LEU 28 -16.825 6.712 1.750 215 2HD1 LEU 28 3HD1 LEU 28 -16.896 7.698 3.211 216 3HD1 LEU 28 2HD1 LEU 28 -16.703 5.949 3.334 217 1HD2 LEU 28 1HD2 LEU 28 -20.428 7.776 2.508 218 2HD2 LEU 28 3HD2 LEU 28 -19.192 8.541 3.507 219 3HD2 LEU 28 2HD2 LEU 28 -18.968 8.427 1.762 220 H ASP 29 H ASP 29 -20.956 3.004 2.102 221 HA ASP 29 HA ASP 29 -21.293 3.128 4.930 222 1HB ASP 29 2HB ASP 29 -22.748 1.470 2.855 223 2HB ASP 29 1HB ASP 29 -23.258 1.669 4.529 224 H LYS 30 H LYS 30 -20.782 0.399 2.707 225 HA LYS 30 HA LYS 30 -19.783 -1.205 4.957 226 1HB LYS 30 2HB LYS 30 -21.252 -1.804 2.478 227 2HB LYS 30 1HB LYS 30 -19.952 -2.934 2.827 228 1HG LYS 30 2HG LYS 30 -22.190 -3.589 3.708 229 2HG LYS 30 1HG LYS 30 -20.907 -3.519 4.918 230 1HD LYS 30 2HD LYS 30 -21.783 -1.649 5.933 231 2HD LYS 30 1HD LYS 30 -22.595 -1.103 4.466 232 1HE LYS 30 2HE LYS 30 -24.451 -2.339 4.883 233 2HE LYS 30 1HE LYS 30 -23.534 -3.672 5.582 234 1HZ LYS 30 2HZ LYS 30 -23.290 -1.486 7.295 235 2HZ LYS 30 1HZ LYS 30 -24.929 -1.635 6.909 236 3HZ LYS 30 3HZ LYS 30 -24.095 -2.946 7.576 237 H HIS 31 H HIS 31 -18.353 0.935 3.364 238 HA HIS 31 HA HIS 31 -16.405 1.230 2.158 239 1HB HIS 31 2HB HIS 31 -14.530 -0.161 3.460 240 2HB HIS 31 1HB HIS 31 -15.314 1.245 4.169 241 HD1 HIS 31 HD1 HIS 31 -14.642 -2.258 4.785 242 HD2 HIS 31 HD2 HIS 31 -17.529 0.488 5.960 243 HE1 HIS 31 HE1 HIS 31 -15.741 -3.264 6.811 244 HE2 HIS 31 HE2 HIS 31 -17.394 -1.524 7.578 245 H ALA 32 H ALA 32 -17.923 -0.537 0.744 246 HA ALA 32 HA ALA 32 -16.335 -2.880 0.111 247 1HB ALA 32 1HB ALA 32 -18.937 -2.651 0.130 248 2HB ALA 32 3HB ALA 32 -18.705 -2.014 -1.496 249 3HB ALA 32 2HB ALA 32 -18.152 -3.640 -1.097 250 H ARG 33 H ARG 33 -17.519 -2.296 -2.764 251 HA ARG 33 HA ARG 33 -15.473 -0.407 -3.679 252 1HB ARG 33 2HB ARG 33 -15.794 -3.256 -4.608 253 2HB ARG 33 1HB ARG 33 -15.069 -2.031 -5.633 254 1HG ARG 33 2HG ARG 33 -13.637 -1.693 -3.348 255 2HG ARG 33 1HG ARG 33 -13.967 -3.423 -3.285 256 1HD ARG 33 2HD ARG 33 -12.984 -3.736 -5.465 257 2HD ARG 33 1HD ARG 33 -12.789 -1.996 -5.667 258 HE ARG 33 HE ARG 33 -11.029 -2.035 -4.101 259 1HH1 ARG 33 1HH2 ARG 33 -12.325 -5.205 -4.754 260 2HH1 ARG 33 2HH2 ARG 33 -10.932 -6.036 -4.148 261 1HH2 ARG 33 2HH1 ARG 33 -9.199 -3.122 -3.298 262 2HH2 ARG 33 1HH1 ARG 33 -9.157 -4.853 -3.316 263 H SER 34 H SER 34 -18.443 -2.157 -4.194 264 HA SER 34 HA SER 34 -19.578 -0.004 -5.667 265 1HB SER 34 2HB SER 34 -20.058 -1.554 -7.710 266 2HB SER 34 1HB SER 34 -18.494 -0.748 -7.597 267 HG SER 34 HG SER 34 -18.192 -2.926 -8.077 268 H GLY 35 H GLY 35 -21.633 -1.356 -6.979 269 1HA GLY 35 2HA GLY 35 -22.865 -3.428 -5.591 270 2HA GLY 35 1HA GLY 35 -23.360 -1.934 -4.809 271 H GLU 36 H GLU 36 -25.485 -2.908 -5.590 272 HA GLU 36 HA GLU 36 -26.486 -1.334 -7.681 273 1HB GLU 36 2HB GLU 36 -25.266 -3.811 -8.521 274 2HB GLU 36 1HB GLU 36 -26.982 -3.840 -8.902 275 1HG GLU 36 2HG GLU 36 -26.820 -1.968 -10.293 276 2HG GLU 36 1HG GLU 36 -25.248 -1.510 -9.643 277 H CYS 37 H CYS 37 -28.760 -1.614 -8.022 278 HA CYS 37 HA CYS 37 -30.081 -2.760 -5.708 279 1HB CYS 37 2HB CYS 37 -31.094 -1.127 -8.038 280 2HB CYS 37 1HB CYS 37 -32.132 -1.730 -6.759 281 H PHE 38 H PHE 38 -30.100 -4.961 -5.908 282 HA PHE 38 HA PHE 38 -31.314 -6.094 -8.348 283 1HB PHE 38 2HB PHE 38 -29.355 -7.182 -6.354 284 2HB PHE 38 1HB PHE 38 -30.346 -8.282 -7.306 285 HD1 PHE 38 HD1 PHE 38 -30.181 -8.227 -9.801 286 HD2 PHE 38 HD2 PHE 38 -27.481 -6.106 -7.286 287 HE1 PHE 38 HE1 PHE 38 -28.590 -8.038 -11.670 288 HE2 PHE 38 HE2 PHE 38 -25.886 -5.916 -9.151 289 HZ PHE 38 HZ PHE 38 -26.441 -6.882 -11.345 290 H TYR 39 H TYR 39 -32.685 -8.018 -8.031 291 HA TYR 39 HA TYR 39 -34.611 -7.522 -5.916 292 1HB TYR 39 2HB TYR 39 -34.588 -9.127 -8.435 293 2HB TYR 39 1HB TYR 39 -35.772 -9.500 -7.191 294 HD1 TYR 39 HD1 TYR 39 -37.379 -7.712 -6.464 295 HD2 TYR 39 HD2 TYR 39 -34.869 -7.273 -9.868 296 HE1 TYR 39 HE1 TYR 39 -38.833 -5.908 -7.298 297 HE2 TYR 39 HE2 TYR 39 -36.313 -5.470 -10.710 298 HH TYR 39 HH TYR 39 -38.191 -3.735 -9.151 299 H ASP 40 H ASP 40 -32.066 -9.705 -6.644 300 HA ASP 40 HA ASP 40 -31.304 -11.621 -5.674 301 1HB ASP 40 2HB ASP 40 -31.716 -11.504 -3.037 302 2HB ASP 40 1HB ASP 40 -30.543 -10.474 -3.848 303 H GLU 41 H GLU 41 -31.883 -13.483 -4.137 304 HA GLU 41 HA GLU 41 -34.242 -14.680 -5.106 305 1HB GLU 41 2HB GLU 41 -32.856 -15.664 -2.638 306 2HB GLU 41 1HB GLU 41 -33.600 -16.589 -3.933 307 1HG GLU 41 2HG GLU 41 -31.051 -15.009 -4.188 308 2HG GLU 41 1HG GLU 41 -31.148 -16.747 -3.914 309 H LYS 42 H LYS 42 -34.975 -12.227 -3.860 310 HA LYS 42 HA LYS 42 -36.855 -13.279 -1.882 311 1HB LYS 42 2HB LYS 42 -35.004 -10.947 -1.382 312 2HB LYS 42 1HB LYS 42 -36.414 -11.310 -0.394 313 1HG LYS 42 2HG LYS 42 -35.268 -13.673 -0.219 314 2HG LYS 42 1HG LYS 42 -33.819 -12.742 -0.598 315 1HD LYS 42 2HD LYS 42 -35.718 -12.276 1.699 316 2HD LYS 42 1HD LYS 42 -34.076 -12.913 1.799 317 1HE LYS 42 2HE LYS 42 -33.617 -10.585 0.496 318 2HE LYS 42 1HE LYS 42 -35.017 -10.135 1.472 319 1HZ LYS 42 2HZ LYS 42 -32.803 -11.561 2.761 320 2HZ LYS 42 1HZ LYS 42 -32.604 -9.919 2.405 321 3HZ LYS 42 3HZ LYS 42 -33.870 -10.420 3.409 322 H ARG 43 H ARG 43 -36.334 -11.521 -4.616 323 HA ARG 43 HA ARG 43 -37.440 -9.846 -5.704 324 1HB ARG 43 2HB ARG 43 -39.323 -11.895 -4.812 325 2HB ARG 43 1HB ARG 43 -40.119 -10.359 -5.109 326 1HG ARG 43 2HG ARG 43 -38.745 -10.468 -7.364 327 2HG ARG 43 1HG ARG 43 -38.766 -12.197 -7.011 328 1HD ARG 43 2HD ARG 43 -40.683 -11.947 -8.262 329 2HD ARG 43 1HD ARG 43 -41.309 -11.797 -6.620 330 HE ARG 43 HE ARG 43 -40.582 -9.325 -7.967 331 1HH1 ARG 43 1HH2 ARG 43 -43.093 -11.553 -7.052 332 2HH1 ARG 43 2HH2 ARG 43 -44.368 -10.396 -7.239 333 1HH2 ARG 43 2HH1 ARG 43 -42.248 -7.791 -8.211 334 2HH2 ARG 43 1HH1 ARG 43 -43.887 -8.254 -7.897 335 H ASN 44 H ASN 44 -36.436 -8.425 -3.961 336 HA ASN 44 HA ASN 44 -38.595 -6.825 -2.785 337 1HB ASN 44 2HB ASN 44 -36.498 -8.274 -1.321 338 2HB ASN 44 1HB ASN 44 -36.618 -6.575 -0.876 339 1HD2 ASN 44 2HD2 ASN 44 -39.523 -9.221 0.135 340 2HD2 ASN 44 1HD2 ASN 44 -38.263 -9.640 -0.970 341 H LEU 45 H LEU 45 -36.054 -6.895 -4.815 342 HA LEU 45 HA LEU 45 -34.657 -5.318 -5.715 343 1HB LEU 45 2HB LEU 45 -37.102 -4.410 -5.897 344 2HB LEU 45 1HB LEU 45 -36.562 -3.238 -4.712 345 HG LEU 45 HG LEU 45 -36.514 -2.496 -7.124 346 1HD1 LEU 45 2HD1 LEU 45 -33.938 -2.410 -5.571 347 2HD1 LEU 45 1HD1 LEU 45 -34.374 -1.339 -6.903 348 3HD1 LEU 45 3HD1 LEU 45 -35.302 -1.306 -5.403 349 1HD2 LEU 45 2HD2 LEU 45 -35.460 -4.801 -7.784 350 2HD2 LEU 45 1HD2 LEU 45 -35.025 -3.332 -8.654 351 3HD2 LEU 45 3HD2 LEU 45 -33.943 -3.976 -7.418 352 H GLN 46 H GLN 46 -33.360 -6.011 -3.691 353 HA GLN 46 HA GLN 46 -32.986 -3.815 -1.804 354 1HB GLN 46 2HB GLN 46 -31.813 -6.598 -1.871 355 2HB GLN 46 1HB GLN 46 -31.496 -5.406 -0.618 356 1HG GLN 46 2HG GLN 46 -33.677 -5.507 0.199 357 2HG GLN 46 1HG GLN 46 -34.285 -6.278 -1.265 358 1HE2 GLN 46 2HE2 GLN 46 -31.867 -8.929 0.504 359 2HE2 GLN 46 1HE2 GLN 46 -31.307 -7.497 -0.287 360 H CYS 47 H CYS 47 -30.655 -3.384 -1.162 361 HA CYS 47 HA CYS 47 -29.156 -2.808 -3.605 362 1HB CYS 47 2HB CYS 47 -29.479 -1.512 -0.992 363 2HB CYS 47 1HB CYS 47 -27.817 -1.517 -1.574 364 H ILE 48 H ILE 48 -27.634 -4.169 -4.191 365 HA ILE 48 HA ILE 48 -26.342 -5.891 -2.238 366 HB ILE 48 HB ILE 48 -26.455 -5.879 -5.233 367 1HG1 ILE 48 2HG1 ILE 48 -26.971 -8.011 -3.147 368 2HG1 ILE 48 1HG1 ILE 48 -28.209 -7.023 -3.915 369 1HG2 ILE 48 2HG2 ILE 48 -24.334 -7.063 -3.515 370 2HG2 ILE 48 1HG2 ILE 48 -24.897 -7.985 -4.908 371 3HG2 ILE 48 3HG2 ILE 48 -24.222 -6.372 -5.133 372 1HD1 ILE 48 2HD1 ILE 48 -27.129 -8.032 -6.107 373 2HD1 ILE 48 1HD1 ILE 48 -26.665 -9.311 -4.985 374 3HD1 ILE 48 3HD1 ILE 48 -28.365 -8.890 -5.189 375 H CYS 49 H CYS 49 -24.320 -5.676 -1.533 376 HA CYS 49 HA CYS 49 -22.724 -3.421 -2.537 377 1HB CYS 49 2HB CYS 49 -22.611 -4.986 0.046 378 2HB CYS 49 1HB CYS 49 -21.430 -3.761 -0.407 379 H ASP 50 H ASP 50 -21.262 -3.942 -4.024 380 HA ASP 50 HA ASP 50 -20.079 -6.617 -4.050 381 1HB ASP 50 2HB ASP 50 -21.029 -5.389 -6.125 382 2HB ASP 50 1HB ASP 50 -19.533 -4.463 -6.078 383 H TYR 51 H TYR 51 -17.823 -6.958 -4.137 384 HA TYR 51 HA TYR 51 -16.214 -4.756 -3.007 385 1HB TYR 51 2HB TYR 51 -16.275 -7.673 -2.299 386 2HB TYR 51 1HB TYR 51 -14.954 -6.612 -1.819 387 HD1 TYR 51 HD1 TYR 51 -18.648 -7.012 -1.574 388 HD2 TYR 51 HD2 TYR 51 -15.130 -5.347 0.144 389 HE1 TYR 51 HE1 TYR 51 -19.946 -6.314 0.392 390 HE2 TYR 51 HE2 TYR 51 -16.420 -4.645 2.118 391 HH TYR 51 HH TYR 51 -18.693 -4.177 2.762 392 H CYS 52 H CYS 52 -16.312 -7.478 -5.233 393 HA CYS 52 HA CYS 52 -13.505 -7.080 -5.943 394 1HB CYS 52 2HB CYS 52 -15.552 -9.159 -6.677 395 2HB CYS 52 1HB CYS 52 -14.061 -8.996 -7.591 396 H GLU 53 H GLU 53 -15.577 -8.136 -8.451 397 HA GLU 53 HA GLU 53 -14.771 -6.632 -10.474 398 1HB GLU 53 2HB GLU 53 -16.475 -8.208 -10.911 399 2HB GLU 53 1HB GLU 53 -17.600 -7.417 -9.814 400 1HG GLU 53 2HG GLU 53 -18.121 -5.764 -11.317 401 2HG GLU 53 1HG GLU 53 -16.595 -5.924 -12.185 402 H TYR 54 HN TYR 54 -14.295 -4.555 -10.619 403 HA TYR 54 HA TYR 54 -15.129 -2.494 -9.014 404 1HB TYR 54 2HB TYR 54 -14.067 -2.593 -11.811 405 2HB TYR 54 1HB TYR 54 -14.617 -1.054 -11.157 406 HD1 TYR 54 HD1 TYR 54 -13.575 -0.235 -8.988 407 HD2 TYR 54 HD2 TYR 54 -11.944 -3.433 -11.271 408 HE1 TYR 54 HE1 TYR 54 -11.423 0.053 -7.842 409 HE2 TYR 54 HE2 TYR 54 -9.784 -3.151 -10.132 410 HH TYR 54 HH TYR 54 -9.042 -0.439 -8.229 No H/Q in entry = 410 Start of MODEL 34 1 HN PCA 1 HN PCA 1 -16.859 -19.270 -2.301 2 HA PCA 1 HA PCA 1 -17.691 -17.668 -0.472 3 1HB PCA 1 1HB PCA 1 -16.933 -18.064 1.624 4 2HB PCA 1 2HB PCA 1 -15.243 -17.879 1.099 5 1HG PCA 1 1HG PCA 1 -16.785 -20.330 1.509 6 2HG PCA 1 2HG PCA 1 -15.053 -20.155 1.170 7 H ASP 2 H ASP 2 -15.808 -15.893 0.558 8 HA ASP 2 HA ASP 2 -14.420 -14.179 0.004 9 1HB ASP 2 2HB ASP 2 -12.982 -16.135 -0.851 10 2HB ASP 2 1HB ASP 2 -13.561 -15.697 -2.454 11 H LYS 3 H LYS 3 -15.045 -15.308 -3.297 12 HA LYS 3 HA LYS 3 -15.712 -14.021 -5.104 13 1HB LYS 3 2HB LYS 3 -17.729 -15.211 -3.896 14 2HB LYS 3 1HB LYS 3 -18.221 -13.558 -3.551 15 1HG LYS 3 2HG LYS 3 -19.298 -13.757 -5.525 16 2HG LYS 3 1HG LYS 3 -17.717 -13.343 -6.187 17 1HD LYS 3 2HD LYS 3 -17.207 -15.717 -6.473 18 2HD LYS 3 1HD LYS 3 -18.774 -16.142 -5.784 19 1HE LYS 3 2HE LYS 3 -19.693 -14.599 -7.689 20 2HE LYS 3 1HE LYS 3 -18.128 -14.924 -8.432 21 1HZ LYS 3 1HZ LYS 3 -20.091 -16.982 -7.573 22 2HZ LYS 3 3HZ LYS 3 -19.803 -16.499 -9.170 23 3HZ LYS 3 2HZ LYS 3 -18.593 -17.291 -8.293 24 H CYS 4 H CYS 4 -17.733 -11.968 -5.089 25 HA CYS 4 HA CYS 4 -16.563 -9.800 -3.552 26 1HB CYS 4 2HB CYS 4 -16.548 -9.863 -6.571 27 2HB CYS 4 1HB CYS 4 -16.285 -8.400 -5.624 28 H LYS 5 H LYS 5 -19.044 -10.868 -3.204 29 HA LYS 5 HA LYS 5 -20.743 -8.617 -3.944 30 1HB LYS 5 2HB LYS 5 -21.313 -10.074 -5.708 31 2HB LYS 5 1HB LYS 5 -21.301 -11.487 -4.665 32 1HG LYS 5 2HG LYS 5 -23.279 -9.262 -4.297 33 2HG LYS 5 1HG LYS 5 -23.556 -10.568 -5.443 34 1HD LYS 5 2HD LYS 5 -22.894 -11.967 -3.190 35 2HD LYS 5 1HD LYS 5 -23.709 -10.565 -2.499 36 1HE LYS 5 2HE LYS 5 -25.662 -10.988 -3.867 37 2HE LYS 5 1HE LYS 5 -24.846 -12.332 -4.662 38 1HZ LYS 5 3HZ LYS 5 -24.707 -12.831 -1.943 39 2HZ LYS 5 2HZ LYS 5 -26.292 -12.321 -2.233 40 3HZ LYS 5 1HZ LYS 5 -25.659 -13.636 -3.087 41 H LYS 6 H LYS 6 -22.007 -7.991 -2.295 42 HA LYS 6 HA LYS 6 -22.819 -9.900 -0.259 43 1HB LYS 6 2HB LYS 6 -20.492 -8.755 0.263 44 2HB LYS 6 1HB LYS 6 -21.512 -7.412 0.761 45 1HG LYS 6 2HG LYS 6 -22.711 -8.970 2.285 46 2HG LYS 6 1HG LYS 6 -21.532 -10.212 1.862 47 1HD LYS 6 2HD LYS 6 -20.538 -7.570 2.816 48 2HD LYS 6 1HD LYS 6 -21.218 -8.693 3.995 49 1HE LYS 6 2HE LYS 6 -18.856 -9.051 3.902 50 2HE LYS 6 1HE LYS 6 -19.650 -10.431 3.145 51 1HZ LYS 6 3HZ LYS 6 -18.788 -8.191 1.457 52 2HZ LYS 6 2HZ LYS 6 -17.622 -9.280 2.015 53 3HZ LYS 6 1HZ LYS 6 -18.916 -9.836 1.079 54 H VAL 7 H VAL 7 -24.930 -9.560 -0.076 55 HA VAL 7 HA VAL 7 -26.225 -7.197 -0.889 56 HB VAL 7 HB VAL 7 -28.218 -8.226 -0.439 57 1HG1 VAL 7 3HG1 VAL 7 -26.854 -9.685 -1.868 58 2HG1 VAL 7 2HG1 VAL 7 -26.331 -10.577 -0.438 59 3HG1 VAL 7 1HG1 VAL 7 -28.029 -10.592 -0.916 60 1HG2 VAL 7 2HG2 VAL 7 -26.871 -9.403 1.969 61 2HG2 VAL 7 1HG2 VAL 7 -28.298 -8.367 1.883 62 3HG2 VAL 7 3HG2 VAL 7 -28.397 -10.051 1.369 63 H TYR 8 H TYR 8 -26.744 -5.366 0.145 64 HA TYR 8 HA TYR 8 -25.625 -4.854 2.718 65 1HB TYR 8 2HB TYR 8 -25.890 -3.170 0.861 66 2HB TYR 8 1HB TYR 8 -27.608 -3.150 1.206 67 HD1 TYR 8 HD1 TYR 8 -26.424 -3.509 4.383 68 HD2 TYR 8 HD2 TYR 8 -26.322 -0.654 1.223 69 HE1 TYR 8 HE1 TYR 8 -26.059 -1.724 6.014 70 HE2 TYR 8 HE2 TYR 8 -25.948 1.140 2.858 71 HH TYR 8 HH TYR 8 -25.046 1.375 5.162 72 H GLU 9 H GLU 9 -26.904 -6.819 3.526 73 HA GLU 9 HA GLU 9 -28.775 -7.750 4.535 74 1HB GLU 9 2HB GLU 9 -28.654 -5.288 6.232 75 2HB GLU 9 1HB GLU 9 -28.865 -6.963 6.721 76 1HG GLU 9 2HG GLU 9 -26.452 -7.244 5.781 77 2HG GLU 9 1HG GLU 9 -26.375 -5.496 6.005 78 H ASN 10 H ASN 10 -30.671 -6.352 6.147 79 HA ASN 10 HA ASN 10 -32.799 -6.110 4.365 80 1HB ASN 10 2HB ASN 10 -32.649 -6.426 7.001 81 2HB ASN 10 1HB ASN 10 -32.948 -4.691 6.981 82 1HD2 ASN 10 2HD2 ASN 10 -36.084 -5.363 5.077 83 2HD2 ASN 10 1HD2 ASN 10 -34.580 -4.605 4.691 84 H TYR 11 H TYR 11 -30.972 -4.443 3.177 85 HA TYR 11 HA TYR 11 -31.023 -1.746 3.783 86 1HB TYR 11 2HB TYR 11 -29.645 -2.677 1.991 87 2HB TYR 11 1HB TYR 11 -31.078 -3.034 1.041 88 HD1 TYR 11 HD2 TYR 11 -32.322 -1.216 -0.045 89 HD2 TYR 11 HD1 TYR 11 -28.751 -0.453 2.135 90 HE1 TYR 11 HE2 TYR 11 -32.165 1.006 -1.088 91 HE2 TYR 11 HE1 TYR 11 -28.582 1.769 1.097 92 HH TYR 11 HH TYR 11 -29.402 2.876 -1.029 93 HA PRO 12 HA PRO 12 -35.276 -0.395 3.384 94 1HB PRO 12 2HB PRO 12 -34.176 1.799 1.679 95 2HB PRO 12 1HB PRO 12 -35.283 1.891 3.053 96 1HG PRO 12 2HG PRO 12 -32.721 2.558 3.318 97 2HG PRO 12 1HG PRO 12 -33.580 1.694 4.607 98 1HD PRO 12 2HD PRO 12 -31.553 0.692 2.679 99 2HD PRO 12 1HD PRO 12 -31.877 0.192 4.350 100 H VAL 13 H VAL 13 -35.866 1.294 0.931 101 HA VAL 13 HA VAL 13 -35.441 -0.165 -1.412 102 HB VAL 13 HB VAL 13 -36.984 -1.740 0.065 103 1HG1 VAL 13 3HG1 VAL 13 -38.695 0.120 0.290 104 2HG1 VAL 13 2HG1 VAL 13 -39.098 -0.195 -1.398 105 3HG1 VAL 13 1HG1 VAL 13 -39.296 -1.467 -0.193 106 1HG2 VAL 13 1HG2 VAL 13 -37.224 -1.215 -2.884 107 2HG2 VAL 13 3HG2 VAL 13 -36.244 -2.431 -2.064 108 3HG2 VAL 13 2HG2 VAL 13 -38.001 -2.582 -2.089 109 H SER 14 H SER 14 -37.176 2.164 0.408 110 HA SER 14 HA SER 14 -38.897 3.174 -1.575 111 1HB SER 14 2HB SER 14 -39.237 5.018 -0.140 112 2HB SER 14 1HB SER 14 -38.887 3.670 0.942 113 HG SER 14 HG SER 14 -36.582 4.798 0.277 114 H LYS 15 H LYS 15 -35.929 2.745 -2.278 115 HA LYS 15 HA LYS 15 -35.734 4.847 -4.139 116 1HB LYS 15 2HB LYS 15 -35.067 5.829 -1.756 117 2HB LYS 15 1HB LYS 15 -33.514 5.120 -2.172 118 1HG LYS 15 2HG LYS 15 -33.755 6.390 -4.389 119 2HG LYS 15 1HG LYS 15 -35.011 7.311 -3.557 120 1HD LYS 15 2HD LYS 15 -33.360 7.842 -1.775 121 2HD LYS 15 1HD LYS 15 -32.120 7.034 -2.740 122 1HE LYS 15 2HE LYS 15 -33.232 9.711 -3.014 123 2HE LYS 15 1HE LYS 15 -31.761 9.028 -3.708 124 1HZ LYS 15 3HZ LYS 15 -33.411 7.866 -5.301 125 2HZ LYS 15 2HZ LYS 15 -34.484 9.082 -4.819 126 3HZ LYS 15 1HZ LYS 15 -33.019 9.493 -5.556 127 H CYS 16 H CYS 16 -35.096 3.528 -5.713 128 HA CYS 16 HA CYS 16 -32.453 2.718 -6.002 129 1HB CYS 16 2HB CYS 16 -33.980 0.890 -4.410 130 2HB CYS 16 1HB CYS 16 -33.606 0.102 -5.940 131 H GLN 17 H GLN 17 -32.340 3.118 -8.081 132 HA GLN 17 HA GLN 17 -34.334 1.885 -9.865 133 1HB GLN 17 2HB GLN 17 -33.120 4.645 -10.085 134 2HB GLN 17 1HB GLN 17 -34.091 3.883 -11.339 135 1HG GLN 17 2HG GLN 17 -35.276 4.046 -8.630 136 2HG GLN 17 1HG GLN 17 -35.118 5.551 -9.533 137 1HE2 GLN 17 2HE2 GLN 17 -37.718 2.655 -10.763 138 2HE2 GLN 17 1HE2 GLN 17 -36.429 2.283 -9.676 139 H LEU 18 H LEU 18 -31.103 3.426 -9.832 140 HA LEU 18 HA LEU 18 -29.753 1.230 -10.870 141 1HB LEU 18 2HB LEU 18 -31.142 2.847 -12.846 142 2HB LEU 18 1HB LEU 18 -29.419 2.770 -13.174 143 HG LEU 18 HG LEU 18 -30.864 0.241 -12.579 144 1HD1 LEU 18 3HD1 LEU 18 -32.296 1.362 -14.216 145 2HD1 LEU 18 2HD1 LEU 18 -30.900 1.612 -15.265 146 3HD1 LEU 18 1HD1 LEU 18 -31.468 -0.023 -14.928 147 1HD2 LEU 18 1HD2 LEU 18 -28.555 0.998 -14.358 148 2HD2 LEU 18 3HD2 LEU 18 -28.471 0.160 -12.810 149 3HD2 LEU 18 2HD2 LEU 18 -29.213 -0.631 -14.200 150 H ALA 19 H ALA 19 -28.260 1.916 -9.307 151 HA ALA 19 HA ALA 19 -26.081 2.719 -9.054 152 1HB ALA 19 2HB ALA 19 -26.301 3.575 -11.475 153 2HB ALA 19 1HB ALA 19 -26.665 5.127 -10.719 154 3HB ALA 19 3HB ALA 19 -25.126 4.329 -10.400 155 H ASN 20 H ASN 20 -25.095 4.816 -8.184 156 HA ASN 20 HA ASN 20 -25.050 6.474 -6.651 157 1HB ASN 20 2HB ASN 20 -27.142 7.207 -8.090 158 2HB ASN 20 1HB ASN 20 -28.018 6.788 -6.621 159 1HD2 ASN 20 2HD2 ASN 20 -26.021 9.269 -4.746 160 2HD2 ASN 20 1HD2 ASN 20 -26.216 7.553 -4.700 161 H GLN 21 H GLN 21 -28.260 5.220 -5.831 162 HA GLN 21 HA GLN 21 -28.103 5.212 -3.157 163 1HB GLN 21 2HB GLN 21 -29.430 3.316 -5.047 164 2HB GLN 21 1HB GLN 21 -29.484 2.975 -3.323 165 1HG GLN 21 2HG GLN 21 -31.456 4.198 -4.160 166 2HG GLN 21 1HG GLN 21 -30.593 5.043 -2.879 167 1HE2 GLN 21 2HE2 GLN 21 -29.473 7.673 -4.969 168 2HE2 GLN 21 1HE2 GLN 21 -29.062 6.723 -3.586 169 H CYS 22 H CYS 22 -27.788 1.972 -4.521 170 HA CYS 22 HA CYS 22 -26.291 0.975 -2.393 171 1HB CYS 22 2HB CYS 22 -25.974 -0.244 -5.103 172 2HB CYS 22 1HB CYS 22 -26.229 -1.024 -3.544 173 H ASN 23 H ASN 23 -25.209 2.290 -5.494 174 HA ASN 23 HA ASN 23 -22.540 1.590 -5.417 175 1HB ASN 23 2HB ASN 23 -23.842 2.816 -7.255 176 2HB ASN 23 1HB ASN 23 -23.463 4.293 -6.374 177 1HD2 ASN 23 2HD2 ASN 23 -20.451 4.610 -7.995 178 2HD2 ASN 23 1HD2 ASN 23 -21.878 5.321 -7.329 179 H TYR 24 H TYR 24 -23.653 4.871 -4.545 180 HA TYR 24 HA TYR 24 -21.335 5.679 -3.292 181 1HB TYR 24 2HB TYR 24 -22.627 7.529 -3.426 182 2HB TYR 24 1HB TYR 24 -24.114 6.597 -3.373 183 HD1 TYR 24 HD1 TYR 24 -21.389 7.016 -0.855 184 HD2 TYR 24 HD2 TYR 24 -25.497 7.588 -1.807 185 HE1 TYR 24 HE1 TYR 24 -21.801 7.818 1.430 186 HE2 TYR 24 HE2 TYR 24 -25.919 8.394 0.478 187 HH TYR 24 HH TYR 24 -23.674 8.025 2.999 188 H ASP 25 H ASP 25 -24.226 4.330 -1.680 189 HA ASP 25 HA ASP 25 -23.301 4.330 0.909 190 1HB ASP 25 2HB ASP 25 -25.204 2.582 -0.589 191 2HB ASP 25 1HB ASP 25 -24.721 2.091 1.032 192 H CYS 26 H CYS 26 -23.060 1.520 -1.294 193 HA CYS 26 HA CYS 26 -21.435 0.010 0.377 194 1HB CYS 26 2HB CYS 26 -21.298 0.035 -2.647 195 2HB CYS 26 1HB CYS 26 -20.825 -1.280 -1.578 196 H LYS 27 H LYS 27 -20.670 2.640 -1.785 197 HA LYS 27 HA LYS 27 -17.896 2.344 -1.938 198 1HB LYS 27 2HB LYS 27 -19.577 4.023 -3.103 199 2HB LYS 27 1HB LYS 27 -19.094 5.076 -1.780 200 1HG LYS 27 2HG LYS 27 -17.417 5.696 -3.135 201 2HG LYS 27 1HG LYS 27 -16.676 4.164 -2.671 202 1HD LYS 27 2HD LYS 27 -16.565 4.032 -4.965 203 2HD LYS 27 1HD LYS 27 -18.105 3.224 -4.660 204 1HE LYS 27 2HE LYS 27 -19.250 5.399 -5.063 205 2HE LYS 27 1HE LYS 27 -17.690 6.086 -5.515 206 1HZ LYS 27 1HZ LYS 27 -18.834 3.710 -6.863 207 2HZ LYS 27 3HZ LYS 27 -19.140 5.290 -7.390 208 3HZ LYS 27 2HZ LYS 27 -17.558 4.690 -7.385 209 H LEU 28 H LEU 28 -19.627 2.619 0.840 210 HA LEU 28 HA LEU 28 -17.303 3.308 2.373 211 1HB LEU 28 2HB LEU 28 -18.487 5.495 1.515 212 2HB LEU 28 1HB LEU 28 -19.592 5.170 2.835 213 HG LEU 28 HG LEU 28 -18.032 6.667 3.727 214 1HD1 LEU 28 3HD1 LEU 28 -18.441 4.593 5.082 215 2HD1 LEU 28 2HD1 LEU 28 -16.877 4.007 4.514 216 3HD1 LEU 28 1HD1 LEU 28 -16.971 5.482 5.476 217 1HD2 LEU 28 1HD2 LEU 28 -16.415 6.442 1.847 218 2HD2 LEU 28 3HD2 LEU 28 -15.659 6.557 3.437 219 3HD2 LEU 28 2HD2 LEU 28 -15.781 4.993 2.628 220 H ASP 29 H ASP 29 -20.795 2.782 2.337 221 HA ASP 29 HA ASP 29 -21.082 2.283 5.100 222 1HB ASP 29 2HB ASP 29 -22.775 1.173 2.852 223 2HB ASP 29 1HB ASP 29 -23.252 1.360 4.538 224 H LYS 30 H LYS 30 -19.680 0.441 2.606 225 HA LYS 30 HA LYS 30 -19.365 -1.819 4.436 226 1HB LYS 30 2HB LYS 30 -20.621 -1.922 1.720 227 2HB LYS 30 1HB LYS 30 -19.686 -3.298 2.293 228 1HG LYS 30 2HG LYS 30 -21.840 -2.138 4.005 229 2HG LYS 30 1HG LYS 30 -22.246 -3.231 2.680 230 1HD LYS 30 2HD LYS 30 -20.638 -4.879 3.647 231 2HD LYS 30 1HD LYS 30 -20.445 -3.801 5.031 232 1HE LYS 30 2HE LYS 30 -22.838 -3.982 5.503 233 2HE LYS 30 1HE LYS 30 -23.034 -5.054 4.118 234 1HZ LYS 30 2HZ LYS 30 -21.465 -6.597 5.210 235 2HZ LYS 30 1HZ LYS 30 -21.454 -5.594 6.573 236 3HZ LYS 30 3HZ LYS 30 -22.886 -6.361 6.096 237 H HIS 31 H HIS 31 -17.914 0.455 2.715 238 HA HIS 31 HA HIS 31 -15.874 0.751 1.744 239 1HB HIS 31 2HB HIS 31 -14.715 -1.650 3.039 240 2HB HIS 31 1HB HIS 31 -14.168 0.024 3.071 241 HD1 HIS 31 HD1 HIS 31 -15.638 -2.484 5.170 242 HD2 HIS 31 HD2 HIS 31 -15.913 1.652 4.878 243 HE1 HIS 31 HE1 HIS 31 -16.586 -1.717 7.368 244 HE2 HIS 31 HE2 HIS 31 -16.811 0.781 7.143 245 H ALA 32 H ALA 32 -17.712 -0.789 0.227 246 HA ALA 32 HA ALA 32 -16.209 -2.980 -0.935 247 1HB ALA 32 1HB ALA 32 -18.812 -2.751 -0.560 248 2HB ALA 32 3HB ALA 32 -18.739 -2.004 -2.155 249 3HB ALA 32 2HB ALA 32 -18.156 -3.652 -1.927 250 H ARG 33 H ARG 33 -16.824 -2.881 -3.574 251 HA ARG 33 HA ARG 33 -15.144 -0.665 -4.501 252 1HB ARG 33 2HB ARG 33 -14.426 -2.919 -5.109 253 2HB ARG 33 1HB ARG 33 -15.988 -3.237 -5.851 254 1HG ARG 33 2HG ARG 33 -14.391 -2.772 -7.571 255 2HG ARG 33 1HG ARG 33 -15.534 -1.430 -7.481 256 1HD ARG 33 2HD ARG 33 -12.933 -1.362 -5.992 257 2HD ARG 33 1HD ARG 33 -13.022 -0.899 -7.691 258 HE ARG 33 HE ARG 33 -14.953 0.607 -6.629 259 1HH1 ARG 33 1HH2 ARG 33 -11.677 0.018 -5.608 260 2HH1 ARG 33 2HH2 ARG 33 -11.492 1.571 -4.863 261 1HH2 ARG 33 2HH1 ARG 33 -14.725 2.651 -5.649 262 2HH2 ARG 33 1HH1 ARG 33 -13.229 3.067 -4.881 263 H SER 34 H SER 34 -18.364 -1.817 -4.545 264 HA SER 34 HA SER 34 -19.547 0.460 -5.517 265 1HB SER 34 2HB SER 34 -20.215 -0.498 -7.863 266 2HB SER 34 1HB SER 34 -18.666 0.318 -7.671 267 HG SER 34 HG SER 34 -18.495 -2.332 -7.101 268 H GLY 35 H GLY 35 -21.714 -0.560 -6.993 269 1HA GLY 35 2HA GLY 35 -22.780 -2.958 -5.989 270 2HA GLY 35 1HA GLY 35 -23.305 -1.642 -4.951 271 H GLU 36 H GLU 36 -25.370 -2.684 -5.884 272 HA GLU 36 HA GLU 36 -26.594 -0.814 -7.585 273 1HB GLU 36 2HB GLU 36 -25.233 -2.018 -9.299 274 2HB GLU 36 1HB GLU 36 -26.084 -3.495 -8.880 275 1HG GLU 36 2HG GLU 36 -26.900 -2.320 -10.931 276 2HG GLU 36 1HG GLU 36 -28.130 -2.667 -9.717 277 H CYS 37 H CYS 37 -28.853 -1.325 -7.989 278 HA CYS 37 HA CYS 37 -29.938 -2.928 -5.830 279 1HB CYS 37 2HB CYS 37 -31.570 -1.424 -7.852 280 2HB CYS 37 1HB CYS 37 -31.962 -1.801 -6.181 281 H PHE 38 H PHE 38 -30.860 -4.872 -6.022 282 HA PHE 38 HA PHE 38 -31.888 -5.784 -8.585 283 1HB PHE 38 2HB PHE 38 -29.664 -7.235 -7.134 284 2HB PHE 38 1HB PHE 38 -30.606 -7.923 -8.449 285 HD1 PHE 38 HD1 PHE 38 -30.739 -6.092 -10.528 286 HD2 PHE 38 HD2 PHE 38 -27.555 -6.618 -7.752 287 HE1 PHE 38 HE1 PHE 38 -29.159 -5.155 -12.166 288 HE2 PHE 38 HE2 PHE 38 -25.970 -5.690 -9.386 289 HZ PHE 38 HZ PHE 38 -26.773 -4.952 -11.595 290 H TYR 39 H TYR 39 -32.964 -7.949 -8.358 291 HA TYR 39 HA TYR 39 -34.565 -7.944 -5.955 292 1HB TYR 39 2HB TYR 39 -34.653 -9.769 -8.369 293 2HB TYR 39 1HB TYR 39 -35.846 -9.734 -7.077 294 HD1 TYR 39 HD2 TYR 39 -34.211 -7.280 -9.395 295 HD2 TYR 39 HD1 TYR 39 -37.809 -8.634 -7.561 296 HE1 TYR 39 HE2 TYR 39 -35.474 -5.561 -10.614 297 HE2 TYR 39 HE1 TYR 39 -39.079 -6.921 -8.786 298 HH TYR 39 HH TYR 39 -38.289 -5.507 -11.328 299 H ASP 40 H ASP 40 -35.047 -10.094 -4.873 300 HA ASP 40 HA ASP 40 -32.596 -11.722 -4.655 301 1HB ASP 40 2HB ASP 40 -33.504 -12.005 -2.179 302 2HB ASP 40 1HB ASP 40 -32.484 -10.640 -2.625 303 H GLU 41 H GLU 41 -33.407 -13.215 -6.044 304 HA GLU 41 HA GLU 41 -34.958 -14.765 -6.840 305 1HB GLU 41 2HB GLU 41 -33.783 -15.823 -4.276 306 2HB GLU 41 1HB GLU 41 -34.625 -16.831 -5.445 307 1HG GLU 41 2HG GLU 41 -32.973 -16.356 -7.123 308 2HG GLU 41 1HG GLU 41 -32.172 -15.201 -6.058 309 H LYS 42 H LYS 42 -36.573 -12.864 -5.568 310 HA LYS 42 HA LYS 42 -38.722 -14.591 -4.617 311 1HB LYS 42 2HB LYS 42 -37.380 -13.684 -2.633 312 2HB LYS 42 1HB LYS 42 -38.032 -12.108 -3.063 313 1HG LYS 42 2HG LYS 42 -40.311 -13.520 -2.992 314 2HG LYS 42 1HG LYS 42 -39.362 -14.443 -1.827 315 1HD LYS 42 2HD LYS 42 -39.752 -11.454 -1.719 316 2HD LYS 42 1HD LYS 42 -40.727 -12.615 -0.820 317 1HE LYS 42 2HE LYS 42 -37.809 -12.914 -0.506 318 2HE LYS 42 1HE LYS 42 -38.489 -11.428 0.154 319 1HZ LYS 42 2HZ LYS 42 -40.100 -13.653 0.851 320 2HZ LYS 42 1HZ LYS 42 -38.499 -13.927 1.323 321 3HZ LYS 42 3HZ LYS 42 -39.315 -12.545 1.860 322 H ARG 43 H ARG 43 -38.252 -11.095 -4.482 323 HA ARG 43 HA ARG 43 -39.313 -10.168 -6.767 324 1HB ARG 43 2HB ARG 43 -41.410 -11.473 -5.187 325 2HB ARG 43 1HB ARG 43 -41.812 -9.821 -5.618 326 1HG ARG 43 2HG ARG 43 -41.867 -10.257 -7.863 327 2HG ARG 43 1HG ARG 43 -40.776 -11.635 -7.736 328 1HD ARG 43 2HD ARG 43 -43.335 -11.938 -6.305 329 2HD ARG 43 1HD ARG 43 -43.470 -11.827 -8.058 330 HE ARG 43 HE ARG 43 -42.071 -13.917 -6.554 331 1HH1 ARG 43 1HH2 ARG 43 -43.179 -12.617 -9.594 332 2HH1 ARG 43 2HH2 ARG 43 -42.962 -14.104 -10.455 333 1HH2 ARG 43 2HH1 ARG 43 -41.788 -15.879 -7.683 334 2HH2 ARG 43 1HH1 ARG 43 -42.179 -15.958 -9.368 335 H ASN 44 H ASN 44 -37.560 -9.075 -5.287 336 HA ASN 44 HA ASN 44 -38.841 -6.697 -4.164 337 1HB ASN 44 2HB ASN 44 -37.043 -8.595 -2.722 338 2HB ASN 44 1HB ASN 44 -36.852 -6.878 -2.390 339 1HD2 ASN 44 2HD2 ASN 44 -39.951 -8.951 -0.884 340 2HD2 ASN 44 1HD2 ASN 44 -38.745 -9.671 -1.890 341 H LEU 45 H LEU 45 -36.490 -5.428 -3.308 342 HA LEU 45 HA LEU 45 -34.619 -5.471 -5.518 343 1HB LEU 45 2HB LEU 45 -36.467 -4.056 -6.323 344 2HB LEU 45 1HB LEU 45 -36.274 -3.018 -4.923 345 HG LEU 45 HG LEU 45 -34.093 -2.315 -5.680 346 1HD1 LEU 45 3HD1 LEU 45 -34.513 -4.408 -7.785 347 2HD1 LEU 45 2HD1 LEU 45 -33.408 -3.058 -8.039 348 3HD1 LEU 45 1HD1 LEU 45 -33.136 -4.181 -6.707 349 1HD2 LEU 45 3HD2 LEU 45 -36.090 -1.150 -6.532 350 2HD2 LEU 45 2HD2 LEU 45 -34.735 -1.087 -7.659 351 3HD2 LEU 45 1HD2 LEU 45 -36.073 -2.199 -7.950 352 H GLN 46 H GLN 46 -33.218 -6.078 -3.789 353 HA GLN 46 HA GLN 46 -32.688 -4.083 -1.730 354 1HB GLN 46 2HB GLN 46 -31.944 -6.947 -2.142 355 2HB GLN 46 1HB GLN 46 -30.915 -5.956 -1.116 356 1HG GLN 46 2HG GLN 46 -32.886 -5.385 0.251 357 2HG GLN 46 1HG GLN 46 -33.858 -6.466 -0.744 358 1HE2 GLN 46 2HE2 GLN 46 -30.880 -8.418 1.229 359 2HE2 GLN 46 1HE2 GLN 46 -30.544 -7.076 0.197 360 H CYS 47 H CYS 47 -30.374 -3.588 -1.225 361 HA CYS 47 HA CYS 47 -29.023 -2.815 -3.694 362 1HB CYS 47 2HB CYS 47 -29.114 -1.793 -0.923 363 2HB CYS 47 1HB CYS 47 -27.551 -1.652 -1.723 364 H ILE 48 H ILE 48 -27.625 -4.204 -4.490 365 HA ILE 48 HA ILE 48 -26.141 -6.001 -2.759 366 HB ILE 48 HB ILE 48 -26.366 -5.793 -5.753 367 1HG1 ILE 48 2HG1 ILE 48 -27.335 -8.084 -5.476 368 2HG1 ILE 48 1HG1 ILE 48 -27.229 -7.872 -3.731 369 1HG2 ILE 48 2HG2 ILE 48 -24.474 -7.359 -4.065 370 2HG2 ILE 48 1HG2 ILE 48 -25.061 -8.043 -5.582 371 3HG2 ILE 48 3HG2 ILE 48 -24.185 -6.512 -5.583 372 1HD1 ILE 48 3HD1 ILE 48 -28.757 -5.966 -5.466 373 2HD1 ILE 48 2HD1 ILE 48 -29.476 -7.446 -4.829 374 3HD1 ILE 48 1HD1 ILE 48 -28.872 -6.210 -3.724 375 H CYS 49 H CYS 49 -24.160 -5.558 -2.020 376 HA CYS 49 HA CYS 49 -22.680 -3.334 -3.207 377 1HB CYS 49 2HB CYS 49 -22.348 -4.865 -0.629 378 2HB CYS 49 1HB CYS 49 -21.179 -3.673 -1.189 379 H ASP 50 H ASP 50 -21.323 -3.772 -4.783 380 HA ASP 50 HA ASP 50 -20.068 -6.409 -4.957 381 1HB ASP 50 2HB ASP 50 -20.965 -5.852 -7.036 382 2HB ASP 50 1HB ASP 50 -20.519 -4.155 -6.888 383 H TYR 51 H TYR 51 -17.928 -6.763 -4.861 384 HA TYR 51 HA TYR 51 -16.256 -4.523 -3.934 385 1HB TYR 51 2HB TYR 51 -16.136 -7.492 -3.484 386 2HB TYR 51 1HB TYR 51 -14.782 -6.435 -3.093 387 HD1 TYR 51 HD2 TYR 51 -18.310 -7.210 -2.291 388 HD2 TYR 51 HD1 TYR 51 -14.794 -5.122 -1.112 389 HE1 TYR 51 HE2 TYR 51 -19.323 -6.750 -0.099 390 HE2 TYR 51 HE1 TYR 51 -15.800 -4.660 1.084 391 HH TYR 51 HH TYR 51 -19.124 -5.633 1.827 392 H CYS 52 H CYS 52 -16.785 -6.557 -6.582 393 HA CYS 52 HA CYS 52 -14.257 -5.702 -7.780 394 1HB CYS 52 2HB CYS 52 -15.213 -8.568 -7.879 395 2HB CYS 52 1HB CYS 52 -13.759 -7.922 -8.631 396 H GLU 53 H GLU 53 -15.817 -8.193 -9.445 397 HA GLU 53 HA GLU 53 -17.437 -8.237 -11.093 398 1HB GLU 53 2HB GLU 53 -18.288 -6.042 -9.901 399 2HB GLU 53 1HB GLU 53 -17.542 -5.257 -11.286 400 1HG GLU 53 2HG GLU 53 -18.920 -6.947 -12.674 401 2HG GLU 53 1HG GLU 53 -19.868 -7.125 -11.199 402 H TYR 54 HN TYR 54 -15.804 -5.147 -11.758 403 HA TYR 54 HA TYR 54 -14.789 -4.479 -13.722 404 1HB TYR 54 2HB TYR 54 -13.176 -6.648 -12.455 405 2HB TYR 54 1HB TYR 54 -12.643 -6.012 -14.009 406 HD1 TYR 54 HD1 TYR 54 -14.278 -4.171 -11.233 407 HD2 TYR 54 HD2 TYR 54 -10.702 -4.818 -13.444 408 HE1 TYR 54 HE1 TYR 54 -13.238 -2.262 -10.096 409 HE2 TYR 54 HE2 TYR 54 -9.648 -2.909 -12.307 410 HH TYR 54 HH TYR 54 -11.459 -0.926 -9.986 No H/Q in entry = 410 Start of MODEL 35 1 HN PCA 1 HN PCA 1 -14.574 -20.729 -1.388 2 HA PCA 1 HA PCA 1 -14.486 -19.985 -3.822 3 1HB PCA 1 1HB PCA 1 -16.487 -19.466 -4.740 4 2HB PCA 1 2HB PCA 1 -16.638 -18.062 -3.656 5 1HG PCA 1 1HG PCA 1 -17.965 -20.630 -3.465 6 2HG PCA 1 2HG PCA 1 -18.133 -19.231 -2.387 7 H ASP 2 H ASP 2 -14.237 -17.555 -4.536 8 HA ASP 2 HA ASP 2 -12.368 -16.373 -2.826 9 1HB ASP 2 2HB ASP 2 -12.883 -16.065 -5.411 10 2HB ASP 2 1HB ASP 2 -13.795 -14.677 -4.825 11 H LYS 3 H LYS 3 -15.799 -15.688 -3.315 12 HA LYS 3 HA LYS 3 -17.289 -14.422 -2.157 13 1HB LYS 3 2HB LYS 3 -16.697 -15.866 -0.300 14 2HB LYS 3 1HB LYS 3 -15.283 -14.885 0.054 15 1HG LYS 3 2HG LYS 3 -17.093 -14.455 1.627 16 2HG LYS 3 1HG LYS 3 -16.702 -13.019 0.680 17 1HD LYS 3 2HD LYS 3 -19.148 -13.428 0.983 18 2HD LYS 3 1HD LYS 3 -18.632 -13.316 -0.699 19 1HE LYS 3 2HE LYS 3 -18.926 -15.579 -1.073 20 2HE LYS 3 1HE LYS 3 -18.779 -15.987 0.635 21 1HZ LYS 3 3HZ LYS 3 -20.950 -14.654 0.857 22 2HZ LYS 3 2HZ LYS 3 -21.099 -14.891 -0.810 23 3HZ LYS 3 1HZ LYS 3 -21.023 -16.223 0.229 24 H CYS 4 H CYS 4 -17.748 -12.300 -2.034 25 HA CYS 4 HA CYS 4 -16.178 -10.259 -1.028 26 1HB CYS 4 2HB CYS 4 -15.502 -11.031 -3.811 27 2HB CYS 4 1HB CYS 4 -15.665 -9.305 -3.507 28 H LYS 5 H LYS 5 -18.678 -11.408 -3.073 29 HA LYS 5 HA LYS 5 -19.940 -8.774 -3.259 30 1HB LYS 5 2HB LYS 5 -21.268 -11.185 -4.385 31 2HB LYS 5 1HB LYS 5 -21.151 -9.556 -5.036 32 1HG LYS 5 2HG LYS 5 -19.740 -10.524 -6.504 33 2HG LYS 5 1HG LYS 5 -18.568 -10.314 -5.201 34 1HD LYS 5 2HD LYS 5 -18.312 -12.546 -5.860 35 2HD LYS 5 1HD LYS 5 -19.299 -12.629 -4.401 36 1HE LYS 5 2HE LYS 5 -20.874 -13.740 -5.541 37 2HE LYS 5 1HE LYS 5 -21.055 -12.372 -6.638 38 1HZ LYS 5 1HZ LYS 5 -18.957 -13.384 -7.742 39 2HZ LYS 5 3HZ LYS 5 -19.435 -14.804 -6.955 40 3HZ LYS 5 2HZ LYS 5 -20.476 -14.057 -8.058 41 H LYS 6 H LYS 6 -21.403 -8.179 -1.793 42 HA LYS 6 HA LYS 6 -23.139 -10.185 -0.591 43 1HB LYS 6 2HB LYS 6 -21.956 -8.340 1.394 44 2HB LYS 6 1HB LYS 6 -22.379 -10.040 1.544 45 1HG LYS 6 2HG LYS 6 -20.344 -10.715 0.505 46 2HG LYS 6 1HG LYS 6 -19.961 -9.052 0.049 47 1HD LYS 6 2HD LYS 6 -19.698 -8.428 2.349 48 2HD LYS 6 1HD LYS 6 -20.232 -10.023 2.885 49 1HE LYS 6 2HE LYS 6 -17.878 -9.761 1.061 50 2HE LYS 6 1HE LYS 6 -17.686 -9.461 2.788 51 1HZ LYS 6 3HZ LYS 6 -19.044 -11.919 1.954 52 2HZ LYS 6 2HZ LYS 6 -17.364 -11.839 1.775 53 3HZ LYS 6 1HZ LYS 6 -18.061 -11.633 3.301 54 H VAL 7 H VAL 7 -25.094 -9.377 0.152 55 HA VAL 7 HA VAL 7 -25.995 -6.970 -0.996 56 HB VAL 7 HB VAL 7 -28.075 -7.293 0.175 57 1HG1 VAL 7 2HG1 VAL 7 -26.854 -9.845 -0.854 58 2HG1 VAL 7 1HG1 VAL 7 -28.574 -9.640 -0.521 59 3HG1 VAL 7 3HG1 VAL 7 -27.792 -8.654 -1.757 60 1HG2 VAL 7 2HG2 VAL 7 -26.632 -8.251 2.280 61 2HG2 VAL 7 1HG2 VAL 7 -28.372 -8.442 2.098 62 3HG2 VAL 7 3HG2 VAL 7 -27.284 -9.742 1.613 63 H TYR 8 H TYR 8 -26.978 -5.182 0.144 64 HA TYR 8 HA TYR 8 -25.101 -3.910 1.815 65 1HB TYR 8 2HB TYR 8 -26.547 -2.048 1.719 66 2HB TYR 8 1HB TYR 8 -26.780 -2.896 0.187 67 HD1 TYR 8 HD2 TYR 8 -28.231 -2.648 3.624 68 HD2 TYR 8 HD1 TYR 8 -28.914 -3.493 -0.482 69 HE1 TYR 8 HE2 TYR 8 -30.617 -2.883 4.080 70 HE2 TYR 8 HE1 TYR 8 -31.320 -3.709 -0.043 71 HH TYR 8 HH TYR 8 -32.600 -4.010 3.049 72 H GLU 9 H GLU 9 -27.958 -5.711 2.417 73 HA GLU 9 HA GLU 9 -29.296 -5.860 4.300 74 1HB GLU 9 2HB GLU 9 -28.339 -7.423 5.836 75 2HB GLU 9 1HB GLU 9 -27.770 -7.808 4.225 76 1HG GLU 9 2HG GLU 9 -26.152 -6.325 6.283 77 2HG GLU 9 1HG GLU 9 -26.082 -8.052 6.011 78 H ASN 10 H ASN 10 -30.023 -4.120 5.218 79 HA ASN 10 HA ASN 10 -30.293 -2.893 7.211 80 1HB ASN 10 2HB ASN 10 -27.290 -2.591 7.367 81 2HB ASN 10 1HB ASN 10 -28.480 -2.134 8.572 82 1HD2 ASN 10 1HD2 ASN 10 -26.147 -4.169 8.264 83 2HD2 ASN 10 2HD2 ASN 10 -26.795 -5.590 9.004 84 H TYR 11 H TYR 11 -31.229 -1.602 5.541 85 HA TYR 11 HA TYR 11 -30.510 1.039 5.556 86 1HB TYR 11 2HB TYR 11 -28.527 0.763 4.347 87 2HB TYR 11 1HB TYR 11 -29.229 -0.451 3.289 88 HD1 TYR 11 HD1 TYR 11 -29.010 3.145 4.001 89 HD2 TYR 11 HD2 TYR 11 -30.442 0.177 1.312 90 HE1 TYR 11 HE1 TYR 11 -29.448 4.886 2.324 91 HE2 TYR 11 HE2 TYR 11 -30.894 1.913 -0.371 92 HH TYR 11 HH TYR 11 -29.633 4.667 -0.546 93 HA PRO 12 HA PRO 12 -34.811 0.217 4.130 94 1HB PRO 12 2HB PRO 12 -34.682 3.188 4.492 95 2HB PRO 12 1HB PRO 12 -35.974 2.059 4.924 96 1HG PRO 12 2HG PRO 12 -34.329 2.983 6.792 97 2HG PRO 12 1HG PRO 12 -34.848 1.287 6.807 98 1HD PRO 12 2HD PRO 12 -32.224 2.461 6.044 99 2HD PRO 12 1HD PRO 12 -32.586 0.885 6.777 100 H VAL 13 H VAL 13 -34.841 -0.213 2.004 101 HA VAL 13 HA VAL 13 -33.454 1.098 -0.014 102 HB VAL 13 HB VAL 13 -36.120 -0.176 -0.507 103 1HG1 VAL 13 2HG1 VAL 13 -33.541 -0.096 -2.064 104 2HG1 VAL 13 1HG1 VAL 13 -34.984 -0.986 -2.546 105 3HG1 VAL 13 3HG1 VAL 13 -35.030 0.774 -2.438 106 1HG2 VAL 13 3HG2 VAL 13 -33.597 -1.465 0.428 107 2HG2 VAL 13 2HG2 VAL 13 -35.268 -1.815 0.871 108 3HG2 VAL 13 1HG2 VAL 13 -34.647 -2.324 -0.699 109 H SER 14 H SER 14 -33.866 3.346 0.721 110 HA SER 14 HA SER 14 -36.377 4.593 0.429 111 1HB SER 14 2HB SER 14 -35.267 6.612 0.806 112 2HB SER 14 1HB SER 14 -34.188 5.448 1.575 113 HG SER 14 HG SER 14 -33.679 5.848 -1.091 114 H LYS 15 H LYS 15 -33.971 3.630 -1.834 115 HA LYS 15 HA LYS 15 -35.625 4.048 -4.073 116 1HB LYS 15 2HB LYS 15 -34.863 6.427 -3.536 117 2HB LYS 15 1HB LYS 15 -33.253 5.913 -4.024 118 1HG LYS 15 2HG LYS 15 -33.830 5.721 -6.235 119 2HG LYS 15 1HG LYS 15 -35.538 5.453 -5.879 120 1HD LYS 15 2HD LYS 15 -35.063 7.672 -6.900 121 2HD LYS 15 1HD LYS 15 -35.843 7.769 -5.319 122 1HE LYS 15 2HE LYS 15 -33.968 9.383 -5.639 123 2HE LYS 15 1HE LYS 15 -33.773 8.310 -4.254 124 1HZ LYS 15 2HZ LYS 15 -32.575 6.980 -6.315 125 2HZ LYS 15 1HZ LYS 15 -32.129 8.591 -6.573 126 3HZ LYS 15 3HZ LYS 15 -31.785 7.844 -5.094 127 H CYS 16 H CYS 16 -34.418 3.534 -6.149 128 HA CYS 16 HA CYS 16 -31.796 2.488 -6.048 129 1HB CYS 16 2HB CYS 16 -33.779 0.792 -4.954 130 2HB CYS 16 1HB CYS 16 -33.304 0.082 -6.491 131 H GLN 17 H GLN 17 -34.165 3.747 -7.763 132 HA GLN 17 HA GLN 17 -33.886 2.140 -10.170 133 1HB GLN 17 2HB GLN 17 -35.569 4.491 -9.386 134 2HB GLN 17 1HB GLN 17 -35.346 4.112 -11.088 135 1HG GLN 17 2HG GLN 17 -36.313 2.086 -9.097 136 2HG GLN 17 1HG GLN 17 -37.403 3.163 -9.968 137 1HE2 GLN 17 2HE2 GLN 17 -37.444 1.251 -12.838 138 2HE2 GLN 17 1HE2 GLN 17 -38.082 2.562 -11.911 139 H LEU 18 H LEU 18 -32.793 5.184 -8.843 140 HA LEU 18 HA LEU 18 -31.704 6.207 -11.261 141 1HB LEU 18 2HB LEU 18 -31.858 7.001 -8.472 142 2HB LEU 18 1HB LEU 18 -30.303 7.402 -9.170 143 HG LEU 18 HG LEU 18 -32.947 8.225 -10.365 144 1HD1 LEU 18 2HD1 LEU 18 -31.145 9.542 -8.383 145 2HD1 LEU 18 1HD1 LEU 18 -32.056 10.520 -9.532 146 3HD1 LEU 18 3HD1 LEU 18 -32.906 9.454 -8.415 147 1HD2 LEU 18 1HD2 LEU 18 -30.080 8.713 -11.057 148 2HD2 LEU 18 3HD2 LEU 18 -31.434 8.305 -12.111 149 3HD2 LEU 18 2HD2 LEU 18 -31.300 9.928 -11.438 150 H ALA 19 H ALA 19 -30.096 4.882 -8.365 151 HA ALA 19 HA ALA 19 -28.380 3.222 -8.434 152 1HB ALA 19 3HB ALA 19 -28.529 3.166 -10.968 153 2HB ALA 19 2HB ALA 19 -27.350 4.481 -10.955 154 3HB ALA 19 1HB ALA 19 -26.937 2.918 -10.257 155 H ASN 20 H ASN 20 -28.353 5.140 -6.764 156 HA ASN 20 HA ASN 20 -25.605 5.982 -6.699 157 1HB ASN 20 2HB ASN 20 -26.193 8.387 -6.279 158 2HB ASN 20 1HB ASN 20 -26.452 7.837 -7.933 159 1HD2 ASN 20 2HD2 ASN 20 -29.707 8.565 -5.565 160 2HD2 ASN 20 1HD2 ASN 20 -28.228 8.018 -4.866 161 H GLN 21 H GLN 21 -28.779 6.460 -5.135 162 HA GLN 21 HA GLN 21 -27.916 7.024 -2.599 163 1HB GLN 21 2HB GLN 21 -30.354 6.025 -3.800 164 2HB GLN 21 1HB GLN 21 -30.105 5.274 -2.230 165 1HG GLN 21 2HG GLN 21 -30.093 8.241 -2.741 166 2HG GLN 21 1HG GLN 21 -31.467 7.319 -2.132 167 1HE2 GLN 21 2HE2 GLN 21 -28.381 8.345 0.294 168 2HE2 GLN 21 1HE2 GLN 21 -28.314 8.584 -1.415 169 H CYS 22 H CYS 22 -29.063 3.722 -3.318 170 HA CYS 22 HA CYS 22 -27.641 2.567 -1.206 171 1HB CYS 22 2HB CYS 22 -29.496 1.679 -3.091 172 2HB CYS 22 1HB CYS 22 -28.077 0.672 -3.365 173 H ASN 23 H ASN 23 -26.802 2.912 -4.629 174 HA ASN 23 HA ASN 23 -24.487 1.385 -4.704 175 1HB ASN 23 2HB ASN 23 -25.731 2.648 -6.609 176 2HB ASN 23 1HB ASN 23 -24.692 4.000 -6.164 177 1HD2 ASN 23 2HD2 ASN 23 -22.610 0.695 -7.316 178 2HD2 ASN 23 1HD2 ASN 23 -23.820 0.596 -6.090 179 H TYR 24 H TYR 24 -24.297 4.934 -4.717 180 HA TYR 24 HA TYR 24 -21.703 5.149 -3.833 181 1HB TYR 24 2HB TYR 24 -22.211 7.294 -4.265 182 2HB TYR 24 1HB TYR 24 -23.925 6.929 -4.217 183 HD1 TYR 24 HD2 TYR 24 -21.166 7.241 -1.733 184 HD2 TYR 24 HD1 TYR 24 -25.138 8.293 -2.822 185 HE1 TYR 24 HE2 TYR 24 -21.367 8.559 0.319 186 HE2 TYR 24 HE1 TYR 24 -25.355 9.626 -0.768 187 HH TYR 24 HH TYR 24 -23.393 9.348 1.821 188 H ASP 25 H ASP 25 -24.635 4.762 -1.908 189 HA ASP 25 HA ASP 25 -23.585 5.279 0.617 190 1HB ASP 25 2HB ASP 25 -25.797 3.491 -0.333 191 2HB ASP 25 1HB ASP 25 -25.346 3.513 1.367 192 H CYS 26 H CYS 26 -24.141 1.966 -0.632 193 HA CYS 26 HA CYS 26 -22.562 0.696 1.245 194 1HB CYS 26 2HB CYS 26 -23.831 -0.039 -1.233 195 2HB CYS 26 1HB CYS 26 -22.227 -0.760 -1.168 196 H LYS 27 H LYS 27 -21.642 2.232 -1.776 197 HA LYS 27 HA LYS 27 -18.992 1.368 -1.904 198 1HB LYS 27 2HB LYS 27 -20.648 3.217 -3.278 199 2HB LYS 27 1HB LYS 27 -19.178 4.078 -2.850 200 1HG LYS 27 2HG LYS 27 -17.831 2.639 -4.096 201 2HG LYS 27 1HG LYS 27 -19.074 1.388 -4.166 202 1HD LYS 27 2HD LYS 27 -18.913 2.457 -6.318 203 2HD LYS 27 1HD LYS 27 -20.451 2.893 -5.569 204 1HE LYS 27 2HE LYS 27 -19.845 5.074 -5.271 205 2HE LYS 27 1HE LYS 27 -18.131 4.691 -5.111 206 1HZ LYS 27 2HZ LYS 27 -18.738 3.996 -7.677 207 2HZ LYS 27 1HZ LYS 27 -19.619 5.421 -7.440 208 3HZ LYS 27 3HZ LYS 27 -17.946 5.410 -7.192 209 H LEU 28 H LEU 28 -20.296 2.853 0.682 210 HA LEU 28 HA LEU 28 -17.731 3.588 1.716 211 1HB LEU 28 2HB LEU 28 -18.656 5.568 0.263 212 2HB LEU 28 1HB LEU 28 -19.647 5.878 1.675 213 HG LEU 28 HG LEU 28 -17.800 7.277 1.955 214 1HD1 LEU 28 3HD1 LEU 28 -18.347 5.810 3.924 215 2HD1 LEU 28 2HD1 LEU 28 -16.957 4.823 3.474 216 3HD1 LEU 28 1HD1 LEU 28 -16.730 6.513 3.922 217 1HD2 LEU 28 1HD2 LEU 28 -16.432 6.289 0.161 218 2HD2 LEU 28 3HD2 LEU 28 -15.495 6.620 1.619 219 3HD2 LEU 28 2HD2 LEU 28 -15.990 4.969 1.245 220 H ASP 29 H ASP 29 -21.240 3.921 2.151 221 HA ASP 29 HA ASP 29 -21.137 4.216 4.965 222 1HB ASP 29 2HB ASP 29 -23.377 3.298 3.153 223 2HB ASP 29 1HB ASP 29 -23.571 3.664 4.864 224 H LYS 30 H LYS 30 -20.456 1.569 3.050 225 HA LYS 30 HA LYS 30 -20.686 -0.223 5.355 226 1HB LYS 30 2HB LYS 30 -21.599 -0.970 2.573 227 2HB LYS 30 1HB LYS 30 -21.584 -2.027 3.980 228 1HG LYS 30 2HG LYS 30 -23.086 -0.073 4.979 229 2HG LYS 30 1HG LYS 30 -23.448 0.167 3.271 230 1HD LYS 30 2HD LYS 30 -24.229 -2.090 3.055 231 2HD LYS 30 1HD LYS 30 -23.696 -2.481 4.692 232 1HE LYS 30 2HE LYS 30 -26.232 -1.623 3.959 233 2HE LYS 30 1HE LYS 30 -25.581 -1.658 5.596 234 1HZ LYS 30 1HZ LYS 30 -25.380 0.646 3.733 235 2HZ LYS 30 3HZ LYS 30 -26.487 0.516 5.007 236 3HZ LYS 30 2HZ LYS 30 -24.830 0.606 5.332 237 H HIS 31 H HIS 31 -18.636 1.234 3.527 238 HA HIS 31 HA HIS 31 -16.502 0.891 2.835 239 1HB HIS 31 2HB HIS 31 -16.667 -1.686 4.402 240 2HB HIS 31 1HB HIS 31 -15.206 -0.811 3.953 241 HD1 HIS 31 HD1 HIS 31 -16.776 -1.496 6.864 242 HD2 HIS 31 HD2 HIS 31 -15.878 2.138 5.064 243 HE1 HIS 31 HE1 HIS 31 -16.771 0.193 8.726 244 HE2 HIS 31 HE2 HIS 31 -16.334 2.401 7.596 245 H ALA 32 H ALA 32 -18.538 0.027 1.050 246 HA ALA 32 HA ALA 32 -17.592 -2.491 -0.075 247 1HB ALA 32 2HB ALA 32 -20.054 -1.744 0.059 248 2HB ALA 32 1HB ALA 32 -19.671 -0.735 -1.335 249 3HB ALA 32 3HB ALA 32 -19.484 -2.484 -1.436 250 H ARG 33 H ARG 33 -17.933 -2.028 -2.797 251 HA ARG 33 HA ARG 33 -15.953 0.062 -3.423 252 1HB ARG 33 2HB ARG 33 -14.918 -2.214 -3.398 253 2HB ARG 33 1HB ARG 33 -16.033 -2.689 -4.673 254 1HG ARG 33 2HG ARG 33 -15.097 -0.832 -6.058 255 2HG ARG 33 1HG ARG 33 -13.867 -0.614 -4.813 256 1HD ARG 33 2HD ARG 33 -12.932 -2.733 -5.213 257 2HD ARG 33 1HD ARG 33 -14.347 -3.278 -6.113 258 HE ARG 33 HE ARG 33 -12.922 -1.049 -7.284 259 1HH1 ARG 33 1HH2 ARG 33 -13.319 -4.504 -7.143 260 2HH1 ARG 33 2HH2 ARG 33 -12.610 -4.781 -8.699 261 1HH2 ARG 33 2HH1 ARG 33 -11.988 -1.397 -9.333 262 2HH2 ARG 33 1HH1 ARG 33 -11.859 -3.010 -9.950 263 H SER 34 H SER 34 -18.379 -2.160 -4.753 264 HA SER 34 HA SER 34 -19.619 -0.028 -6.236 265 1HB SER 34 2HB SER 34 -19.032 -0.562 -8.376 266 2HB SER 34 1HB SER 34 -17.592 -1.208 -7.591 267 HG SER 34 HG SER 34 -19.918 -2.638 -8.363 268 H GLY 35 H GLY 35 -21.760 -0.380 -6.133 269 1HA GLY 35 2HA GLY 35 -22.679 -3.185 -6.014 270 2HA GLY 35 1HA GLY 35 -23.298 -1.976 -4.897 271 H GLU 36 H GLU 36 -25.258 -3.086 -5.992 272 HA GLU 36 HA GLU 36 -26.545 -1.150 -7.590 273 1HB GLU 36 2HB GLU 36 -25.007 -2.237 -9.298 274 2HB GLU 36 1HB GLU 36 -25.962 -3.699 -9.100 275 1HG GLU 36 2HG GLU 36 -27.952 -2.526 -9.854 276 2HG GLU 36 1HG GLU 36 -27.028 -1.032 -10.008 277 H CYS 37 H CYS 37 -28.773 -1.760 -8.129 278 HA CYS 37 HA CYS 37 -29.808 -3.593 -6.137 279 1HB CYS 37 2HB CYS 37 -30.689 -1.161 -7.290 280 2HB CYS 37 1HB CYS 37 -31.916 -2.379 -7.616 281 H PHE 38 H PHE 38 -30.947 -5.399 -6.431 282 HA PHE 38 HA PHE 38 -31.761 -6.228 -9.095 283 1HB PHE 38 2HB PHE 38 -29.633 -7.645 -7.500 284 2HB PHE 38 1HB PHE 38 -30.615 -8.499 -8.687 285 HD1 PHE 38 HD2 PHE 38 -30.728 -7.330 -11.049 286 HD2 PHE 38 HD1 PHE 38 -27.639 -6.735 -8.182 287 HE1 PHE 38 HE2 PHE 38 -29.216 -6.576 -12.840 288 HE2 PHE 38 HE1 PHE 38 -26.122 -5.979 -9.966 289 HZ PHE 38 HZ PHE 38 -26.911 -5.898 -12.298 290 H TYR 39 H TYR 39 -33.222 -8.030 -9.097 291 HA TYR 39 HA TYR 39 -34.083 -9.196 -6.645 292 1HB TYR 39 2HB TYR 39 -35.951 -8.018 -6.131 293 2HB TYR 39 1HB TYR 39 -35.030 -6.753 -6.916 294 HD1 TYR 39 HD1 TYR 39 -35.530 -7.675 -9.801 295 HD2 TYR 39 HD2 TYR 39 -38.052 -7.112 -6.413 296 HE1 TYR 39 HE1 TYR 39 -37.421 -7.175 -11.295 297 HE2 TYR 39 HE2 TYR 39 -39.931 -6.599 -7.890 298 HH TYR 39 HH TYR 39 -40.594 -7.151 -10.308 299 H ASP 40 H ASP 40 -36.249 -10.447 -7.012 300 HA ASP 40 HA ASP 40 -36.471 -11.373 -9.788 301 1HB ASP 40 2HB ASP 40 -36.632 -13.717 -8.218 302 2HB ASP 40 1HB ASP 40 -35.337 -13.264 -9.319 303 H GLU 41 H GLU 41 -38.146 -13.571 -9.207 304 HA GLU 41 HA GLU 41 -40.641 -12.325 -9.160 305 1HB GLU 41 2HB GLU 41 -40.482 -14.440 -10.214 306 2HB GLU 41 1HB GLU 41 -39.803 -15.191 -8.778 307 1HG GLU 41 2HG GLU 41 -41.856 -15.266 -7.694 308 2HG GLU 41 1HG GLU 41 -42.564 -14.045 -8.750 309 H LYS 42 H LYS 42 -38.608 -12.474 -6.658 310 HA LYS 42 HA LYS 42 -40.596 -13.070 -4.599 311 1HB LYS 42 2HB LYS 42 -38.007 -13.718 -4.659 312 2HB LYS 42 1HB LYS 42 -37.837 -12.125 -3.941 313 1HG LYS 42 2HG LYS 42 -38.225 -13.065 -1.954 314 2HG LYS 42 1HG LYS 42 -39.886 -13.338 -2.475 315 1HD LYS 42 2HD LYS 42 -37.594 -15.255 -2.907 316 2HD LYS 42 1HD LYS 42 -38.797 -15.383 -1.624 317 1HE LYS 42 2HE LYS 42 -40.544 -15.424 -3.459 318 2HE LYS 42 1HE LYS 42 -39.213 -15.635 -4.594 319 1HZ LYS 42 2HZ LYS 42 -38.569 -17.639 -3.374 320 2HZ LYS 42 1HZ LYS 42 -39.900 -17.448 -2.347 321 3HZ LYS 42 3HZ LYS 42 -40.138 -17.757 -3.994 322 H ARG 43 H ARG 43 -39.987 -10.572 -6.491 323 HA ARG 43 HA ARG 43 -40.125 -8.306 -6.391 324 1HB ARG 43 2HB ARG 43 -42.390 -9.474 -5.240 325 2HB ARG 43 1HB ARG 43 -41.976 -8.164 -4.147 326 1HG ARG 43 2HG ARG 43 -42.001 -6.596 -6.031 327 2HG ARG 43 1HG ARG 43 -42.446 -7.919 -7.112 328 1HD ARG 43 2HD ARG 43 -44.056 -7.041 -4.720 329 2HD ARG 43 1HD ARG 43 -44.370 -6.532 -6.376 330 HE ARG 43 HE ARG 43 -44.609 -9.296 -5.383 331 1HH1 ARG 43 1HH2 ARG 43 -45.456 -6.793 -7.668 332 2HH1 ARG 43 2HH2 ARG 43 -46.661 -7.751 -8.456 333 1HH2 ARG 43 2HH1 ARG 43 -46.189 -10.555 -6.427 334 2HH2 ARG 43 1HH1 ARG 43 -47.073 -9.887 -7.758 335 H ASN 44 H ASN 44 -38.408 -9.833 -4.247 336 HA ASN 44 HA ASN 44 -38.112 -7.663 -2.314 337 1HB ASN 44 2HB ASN 44 -36.835 -10.405 -2.434 338 2HB ASN 44 1HB ASN 44 -36.539 -9.220 -1.165 339 1HD2 ASN 44 2HD2 ASN 44 -40.308 -9.582 -0.552 340 2HD2 ASN 44 1HD2 ASN 44 -39.448 -8.394 -1.462 341 H LEU 45 H LEU 45 -37.111 -6.049 -3.331 342 HA LEU 45 HA LEU 45 -34.743 -6.558 -4.912 343 1HB LEU 45 2HB LEU 45 -36.415 -5.008 -5.770 344 2HB LEU 45 1HB LEU 45 -36.281 -4.041 -4.314 345 HG LEU 45 HG LEU 45 -33.738 -3.846 -5.088 346 1HD1 LEU 45 3HD1 LEU 45 -35.217 -4.611 -7.572 347 2HD1 LEU 45 2HD1 LEU 45 -33.911 -3.440 -7.652 348 3HD1 LEU 45 1HD1 LEU 45 -33.599 -5.057 -7.035 349 1HD2 LEU 45 2HD2 LEU 45 -36.145 -2.263 -5.862 350 2HD2 LEU 45 1HD2 LEU 45 -34.840 -1.860 -4.746 351 3HD2 LEU 45 3HD2 LEU 45 -34.563 -1.804 -6.487 352 H GLN 46 H GLN 46 -32.726 -6.297 -4.338 353 HA GLN 46 HA GLN 46 -32.131 -4.778 -1.893 354 1HB GLN 46 2HB GLN 46 -31.912 -7.658 -2.250 355 2HB GLN 46 1HB GLN 46 -30.360 -6.955 -1.819 356 1HG GLN 46 2HG GLN 46 -31.631 -7.713 0.128 357 2HG GLN 46 1HG GLN 46 -31.305 -5.982 0.170 358 1HE2 GLN 46 2HE2 GLN 46 -35.133 -7.199 -0.647 359 2HE2 GLN 46 1HE2 GLN 46 -33.784 -8.101 -1.239 360 H CYS 47 H CYS 47 -29.964 -4.068 -1.701 361 HA CYS 47 HA CYS 47 -28.712 -3.597 -4.282 362 1HB CYS 47 2HB CYS 47 -27.573 -2.334 -1.861 363 2HB CYS 47 1HB CYS 47 -27.872 -1.656 -3.452 364 H ILE 48 H ILE 48 -27.280 -4.970 -4.957 365 HA ILE 48 HA ILE 48 -25.748 -6.620 -3.163 366 HB ILE 48 HB ILE 48 -25.882 -6.386 -6.159 367 1HG1 ILE 48 2HG1 ILE 48 -27.530 -7.711 -4.627 368 2HG1 ILE 48 1HG1 ILE 48 -26.921 -8.465 -6.097 369 1HG2 ILE 48 1HG2 ILE 48 -23.778 -7.700 -4.500 370 2HG2 ILE 48 3HG2 ILE 48 -24.286 -8.459 -6.009 371 3HG2 ILE 48 2HG2 ILE 48 -23.626 -6.824 -6.022 372 1HD1 ILE 48 3HD1 ILE 48 -25.755 -8.898 -3.360 373 2HD1 ILE 48 2HD1 ILE 48 -26.931 -9.961 -4.132 374 3HD1 ILE 48 1HD1 ILE 48 -25.332 -9.748 -4.846 375 H CYS 49 H CYS 49 -24.097 -5.730 -2.117 376 HA CYS 49 HA CYS 49 -22.543 -3.612 -3.407 377 1HB CYS 49 2HB CYS 49 -22.197 -4.563 -0.573 378 2HB CYS 49 1HB CYS 49 -21.807 -2.989 -1.261 379 H ASP 50 H ASP 50 -20.815 -4.174 -4.506 380 HA ASP 50 HA ASP 50 -19.441 -6.678 -3.892 381 1HB ASP 50 2HB ASP 50 -18.841 -4.860 -6.215 382 2HB ASP 50 1HB ASP 50 -18.519 -6.584 -6.064 383 H TYR 51 H TYR 51 -17.516 -6.824 -3.026 384 HA TYR 51 HA TYR 51 -16.136 -4.339 -2.300 385 1HB TYR 51 2HB TYR 51 -16.077 -7.134 -1.177 386 2HB TYR 51 1HB TYR 51 -14.944 -5.881 -0.668 387 HD1 TYR 51 HD2 TYR 51 -18.609 -6.460 -1.055 388 HD2 TYR 51 HD1 TYR 51 -15.516 -4.565 1.168 389 HE1 TYR 51 HE2 TYR 51 -20.275 -5.649 0.559 390 HE2 TYR 51 HE1 TYR 51 -17.174 -3.748 2.791 391 HH TYR 51 HH TYR 51 -20.579 -4.002 2.225 392 H CYS 52 H CYS 52 -15.879 -7.055 -4.356 393 HA CYS 52 HA CYS 52 -13.212 -6.187 -5.180 394 1HB CYS 52 2HB CYS 52 -13.671 -9.131 -4.950 395 2HB CYS 52 1HB CYS 52 -12.159 -8.231 -4.934 396 H GLU 53 H GLU 53 -16.279 -7.548 -5.888 397 HA GLU 53 HA GLU 53 -17.352 -8.047 -7.829 398 1HB GLU 53 2HB GLU 53 -15.162 -6.236 -8.817 399 2HB GLU 53 1HB GLU 53 -16.294 -6.979 -9.938 400 1HG GLU 53 2HG GLU 53 -18.155 -5.928 -8.757 401 2HG GLU 53 1HG GLU 53 -17.016 -5.180 -7.637 402 H TYR 54 HN TYR 54 -16.539 -10.271 -7.279 403 HA TYR 54 HA TYR 54 -15.737 -12.294 -7.930 404 1HB TYR 54 2HB TYR 54 -16.299 -10.830 -10.392 405 2HB TYR 54 1HB TYR 54 -15.051 -12.049 -10.624 406 HD1 TYR 54 HD1 TYR 54 -15.567 -14.438 -9.932 407 HD2 TYR 54 HD2 TYR 54 -18.567 -11.441 -10.281 408 HE1 TYR 54 HE1 TYR 54 -17.289 -16.187 -10.081 409 HE2 TYR 54 HE2 TYR 54 -20.298 -13.182 -10.431 410 HH TYR 54 HH TYR 54 -20.335 -15.682 -11.181 No H/Q in entry = 410 Start of MODEL 36 1 HN PCA 1 HN PCA 1 -17.924 -18.828 -7.732 2 HA PCA 1 HA PCA 1 -15.773 -19.365 -6.435 3 1HB PCA 1 1HB PCA 1 -13.850 -19.324 -7.628 4 2HB PCA 1 2HB PCA 1 -14.109 -17.621 -8.074 5 1HG PCA 1 1HG PCA 1 -14.666 -20.035 -9.627 6 2HG PCA 1 2HG PCA 1 -14.756 -18.341 -10.145 7 H ASP 2 H ASP 2 -17.946 -17.535 -6.274 8 HA ASP 2 HA ASP 2 -18.570 -15.640 -5.190 9 1HB ASP 2 2HB ASP 2 -15.783 -15.160 -4.218 10 2HB ASP 2 1HB ASP 2 -17.315 -14.975 -3.368 11 H LYS 3 H LYS 3 -18.438 -13.324 -5.219 12 HA LYS 3 HA LYS 3 -16.593 -12.174 -7.178 13 1HB LYS 3 2HB LYS 3 -19.398 -12.653 -7.598 14 2HB LYS 3 1HB LYS 3 -19.131 -10.921 -7.572 15 1HG LYS 3 2HG LYS 3 -17.258 -12.490 -9.247 16 2HG LYS 3 1HG LYS 3 -18.932 -12.434 -9.788 17 1HD LYS 3 2HD LYS 3 -17.382 -9.961 -9.048 18 2HD LYS 3 1HD LYS 3 -17.387 -10.630 -10.679 19 1HE LYS 3 2HE LYS 3 -20.094 -10.483 -9.866 20 2HE LYS 3 1HE LYS 3 -19.348 -8.953 -9.412 21 1HZ LYS 3 1HZ LYS 3 -18.407 -9.027 -11.792 22 2HZ LYS 3 3HZ LYS 3 -19.639 -10.149 -12.087 23 3HZ LYS 3 2HZ LYS 3 -20.024 -8.586 -11.568 24 H CYS 4 H CYS 4 -16.558 -12.054 -4.362 25 HA CYS 4 HA CYS 4 -16.488 -10.610 -2.604 26 1HB CYS 4 2HB CYS 4 -15.601 -9.042 -4.982 27 2HB CYS 4 1HB CYS 4 -15.840 -8.181 -3.471 28 H LYS 5 H LYS 5 -19.116 -10.879 -4.080 29 HA LYS 5 HA LYS 5 -20.330 -8.270 -3.584 30 1HB LYS 5 2HB LYS 5 -22.417 -9.600 -4.450 31 2HB LYS 5 1HB LYS 5 -21.178 -9.058 -5.571 32 1HG LYS 5 2HG LYS 5 -21.763 -11.288 -6.143 33 2HG LYS 5 1HG LYS 5 -20.149 -11.321 -5.432 34 1HD LYS 5 2HD LYS 5 -20.846 -12.431 -3.560 35 2HD LYS 5 1HD LYS 5 -22.462 -11.726 -3.610 36 1HE LYS 5 2HE LYS 5 -23.212 -13.251 -5.202 37 2HE LYS 5 1HE LYS 5 -21.577 -13.673 -5.707 38 1HZ LYS 5 2HZ LYS 5 -22.412 -14.262 -2.955 39 2HZ LYS 5 1HZ LYS 5 -22.945 -15.272 -4.202 40 3HZ LYS 5 3HZ LYS 5 -21.288 -15.064 -3.931 41 H LYS 6 H LYS 6 -21.753 -7.822 -1.994 42 HA LYS 6 HA LYS 6 -22.831 -9.948 -0.331 43 1HB LYS 6 2HB LYS 6 -21.226 -7.716 0.915 44 2HB LYS 6 1HB LYS 6 -21.988 -9.064 1.745 45 1HG LYS 6 2HG LYS 6 -20.465 -10.592 0.477 46 2HG LYS 6 1HG LYS 6 -19.624 -9.158 -0.111 47 1HD LYS 6 2HD LYS 6 -18.784 -8.633 1.980 48 2HD LYS 6 1HD LYS 6 -20.044 -9.532 2.826 49 1HE LYS 6 2HE LYS 6 -17.977 -10.731 3.038 50 2HE LYS 6 1HE LYS 6 -19.045 -11.635 1.963 51 1HZ LYS 6 3HZ LYS 6 -17.364 -9.778 0.566 52 2HZ LYS 6 2HZ LYS 6 -16.477 -10.932 1.427 53 3HZ LYS 6 1HZ LYS 6 -17.621 -11.427 0.283 54 H VAL 7 H VAL 7 -24.890 -9.501 0.042 55 HA VAL 7 HA VAL 7 -26.098 -7.102 -0.749 56 HB VAL 7 HB VAL 7 -28.116 -8.041 -0.234 57 1HG1 VAL 7 1HG1 VAL 7 -26.639 -9.626 -1.550 58 2HG1 VAL 7 3HG1 VAL 7 -26.492 -10.553 -0.056 59 3HG1 VAL 7 2HG1 VAL 7 -28.077 -10.313 -0.793 60 1HG2 VAL 7 1HG2 VAL 7 -26.773 -9.199 2.188 61 2HG2 VAL 7 3HG2 VAL 7 -28.137 -8.083 2.101 62 3HG2 VAL 7 2HG2 VAL 7 -28.351 -9.773 1.646 63 H TYR 8 H TYR 8 -26.912 -5.372 0.320 64 HA TYR 8 HA TYR 8 -25.710 -4.738 2.876 65 1HB TYR 8 2HB TYR 8 -26.103 -3.113 0.889 66 2HB TYR 8 1HB TYR 8 -27.771 -3.068 1.443 67 HD1 TYR 8 HD1 TYR 8 -26.633 -3.353 4.496 68 HD2 TYR 8 HD2 TYR 8 -26.045 -0.671 1.238 69 HE1 TYR 8 HE1 TYR 8 -26.045 -1.568 6.073 70 HE2 TYR 8 HE2 TYR 8 -25.455 1.114 2.817 71 HH TYR 8 HH TYR 8 -25.031 0.500 6.226 72 H GLU 9 H GLU 9 -26.627 -5.831 4.520 73 HA GLU 9 HA GLU 9 -29.265 -6.708 4.604 74 1HB GLU 9 2HB GLU 9 -27.741 -6.035 7.107 75 2HB GLU 9 1HB GLU 9 -28.876 -7.349 6.831 76 1HG GLU 9 2HG GLU 9 -26.160 -7.154 5.551 77 2HG GLU 9 1HG GLU 9 -26.516 -8.069 7.014 78 H ASN 10 H ASN 10 -30.858 -6.022 6.346 79 HA ASN 10 HA ASN 10 -32.499 -4.280 6.323 80 1HB ASN 10 2HB ASN 10 -31.436 -3.017 8.591 81 2HB ASN 10 1HB ASN 10 -32.499 -4.420 8.567 82 1HD2 ASN 10 2HD2 ASN 10 -30.096 -6.175 10.301 83 2HD2 ASN 10 1HD2 ASN 10 -31.715 -5.578 10.199 84 H TYR 11 H TYR 11 -32.708 -2.674 4.945 85 HA TYR 11 HA TYR 11 -31.653 -0.129 5.438 86 1HB TYR 11 2HB TYR 11 -29.536 -0.665 4.669 87 2HB TYR 11 1HB TYR 11 -30.142 -1.837 3.505 88 HD1 TYR 11 HD1 TYR 11 -31.304 -0.945 1.412 89 HD2 TYR 11 HD2 TYR 11 -28.995 1.518 4.002 90 HE1 TYR 11 HE1 TYR 11 -31.080 0.721 -0.382 91 HE2 TYR 11 HE2 TYR 11 -28.766 3.191 2.215 92 HH TYR 11 HH TYR 11 -29.046 2.766 -0.759 93 HA PRO 12 HA PRO 12 -35.153 1.335 3.171 94 1HB PRO 12 2HB PRO 12 -33.003 2.671 1.553 95 2HB PRO 12 1HB PRO 12 -34.551 3.324 2.104 96 1HG PRO 12 2HG PRO 12 -32.229 3.800 3.411 97 2HG PRO 12 1HG PRO 12 -33.792 3.692 4.239 98 1HD PRO 12 2HD PRO 12 -31.520 1.876 4.389 99 2HD PRO 12 1HD PRO 12 -32.989 1.898 5.378 100 H VAL 13 H VAL 13 -35.465 -0.872 2.362 101 HA VAL 13 HA VAL 13 -34.314 -1.903 0.034 102 HB VAL 13 HB VAL 13 -35.523 -3.462 1.265 103 1HG1 VAL 13 3HG1 VAL 13 -37.618 -1.342 1.443 104 2HG1 VAL 13 2HG1 VAL 13 -38.056 -3.033 1.691 105 3HG1 VAL 13 1HG1 VAL 13 -36.847 -2.273 2.727 106 1HG2 VAL 13 2HG2 VAL 13 -35.978 -3.561 -1.210 107 2HG2 VAL 13 1HG2 VAL 13 -37.164 -4.373 -0.191 108 3HG2 VAL 13 3HG2 VAL 13 -37.527 -2.790 -0.879 109 H SER 14 H SER 14 -37.102 0.220 0.475 110 HA SER 14 HA SER 14 -38.029 0.171 -2.179 111 1HB SER 14 2HB SER 14 -39.616 1.575 -1.386 112 2HB SER 14 1HB SER 14 -38.845 1.359 0.186 113 HG SER 14 HG SER 14 -39.093 3.587 -1.148 114 H LYS 15 H LYS 15 -35.637 2.204 -0.558 115 HA LYS 15 HA LYS 15 -35.267 4.033 -2.678 116 1HB LYS 15 2HB LYS 15 -34.457 4.031 -0.147 117 2HB LYS 15 1HB LYS 15 -32.995 3.368 -0.862 118 1HG LYS 15 2HG LYS 15 -32.562 5.632 -0.834 119 2HG LYS 15 1HG LYS 15 -33.151 5.377 -2.478 120 1HD LYS 15 2HD LYS 15 -34.170 7.361 -1.540 121 2HD LYS 15 1HD LYS 15 -35.395 6.111 -1.758 122 1HE LYS 15 2HE LYS 15 -35.154 7.521 0.503 123 2HE LYS 15 1HE LYS 15 -35.726 5.853 0.474 124 1HZ LYS 15 2HZ LYS 15 -32.860 6.495 0.798 125 2HZ LYS 15 1HZ LYS 15 -33.908 6.440 2.124 126 3HZ LYS 15 3HZ LYS 15 -33.668 5.059 1.178 127 H CYS 16 H CYS 16 -35.070 2.942 -4.610 128 HA CYS 16 HA CYS 16 -32.466 2.193 -5.407 129 1HB CYS 16 2HB CYS 16 -34.047 0.096 -4.257 130 2HB CYS 16 1HB CYS 16 -33.830 -0.246 -5.970 131 H GLN 17 H GLN 17 -32.494 3.159 -7.345 132 HA GLN 17 HA GLN 17 -34.505 2.344 -9.280 133 1HB GLN 17 2HB GLN 17 -34.119 5.265 -9.297 134 2HB GLN 17 1HB GLN 17 -35.586 4.318 -9.509 135 1HG GLN 17 2HG GLN 17 -35.816 4.059 -7.127 136 2HG GLN 17 1HG GLN 17 -34.271 4.866 -6.858 137 1HE2 GLN 17 2HE2 GLN 17 -35.853 7.903 -6.496 138 2HE2 GLN 17 1HE2 GLN 17 -34.666 6.763 -5.971 139 H LEU 18 H LEU 18 -31.408 3.679 -8.526 140 HA LEU 18 HA LEU 18 -30.365 2.956 -11.075 141 1HB LEU 18 2HB LEU 18 -31.226 5.705 -10.596 142 2HB LEU 18 1HB LEU 18 -29.548 5.609 -11.098 143 HG LEU 18 HG LEU 18 -31.553 4.078 -12.668 144 1HD1 LEU 18 3HD1 LEU 18 -31.356 7.060 -12.586 145 2HD1 LEU 18 2HD1 LEU 18 -31.773 6.230 -14.085 146 3HD1 LEU 18 1HD1 LEU 18 -32.789 6.034 -12.657 147 1HD2 LEU 18 2HD2 LEU 18 -29.052 5.619 -13.339 148 2HD2 LEU 18 1HD2 LEU 18 -29.228 3.866 -13.250 149 3HD2 LEU 18 3HD2 LEU 18 -30.056 4.772 -14.517 150 H ALA 19 H ALA 19 -28.034 3.904 -11.279 151 HA ALA 19 HA ALA 19 -26.481 2.868 -9.202 152 1HB ALA 19 3HB ALA 19 -25.922 3.407 -11.692 153 2HB ALA 19 2HB ALA 19 -25.378 4.948 -11.029 154 3HB ALA 19 1HB ALA 19 -24.654 3.442 -10.468 155 H ASN 20 H ASN 20 -26.634 3.680 -7.186 156 HA ASN 20 HA ASN 20 -25.270 5.952 -6.456 157 1HB ASN 20 2HB ASN 20 -27.357 7.317 -5.654 158 2HB ASN 20 1HB ASN 20 -26.763 7.482 -7.303 159 1HD2 ASN 20 2HD2 ASN 20 -30.517 6.452 -6.662 160 2HD2 ASN 20 1HD2 ASN 20 -29.449 7.116 -5.479 161 H GLN 21 H GLN 21 -28.454 5.374 -5.046 162 HA GLN 21 HA GLN 21 -27.928 5.219 -2.476 163 1HB GLN 21 2HB GLN 21 -29.453 2.833 -2.880 164 2HB GLN 21 1HB GLN 21 -30.024 4.425 -2.406 165 1HG GLN 21 2HG GLN 21 -31.235 3.741 -4.320 166 2HG GLN 21 1HG GLN 21 -30.146 5.035 -4.800 167 1HE2 GLN 21 2HE2 GLN 21 -27.937 2.273 -6.180 168 2HE2 GLN 21 1HE2 GLN 21 -27.815 3.222 -4.744 169 H CYS 22 H CYS 22 -28.089 1.928 -3.798 170 HA CYS 22 HA CYS 22 -26.434 0.799 -1.895 171 1HB CYS 22 2HB CYS 22 -26.343 -0.379 -4.631 172 2HB CYS 22 1HB CYS 22 -26.605 -1.160 -3.076 173 H ASN 23 H ASN 23 -25.484 1.670 -5.230 174 HA ASN 23 HA ASN 23 -22.807 1.059 -5.109 175 1HB ASN 23 2HB ASN 23 -24.208 2.004 -7.073 176 2HB ASN 23 1HB ASN 23 -23.775 3.587 -6.434 177 1HD2 ASN 23 2HD2 ASN 23 -20.580 1.302 -7.541 178 2HD2 ASN 23 1HD2 ASN 23 -21.811 0.665 -6.509 179 H TYR 24 H TYR 24 -23.869 4.423 -4.880 180 HA TYR 24 HA TYR 24 -21.615 5.485 -3.716 181 1HB TYR 24 2HB TYR 24 -22.823 7.340 -4.038 182 2HB TYR 24 1HB TYR 24 -24.245 6.356 -4.343 183 HD1 TYR 24 HD1 TYR 24 -22.232 7.619 -1.503 184 HD2 TYR 24 HD2 TYR 24 -26.101 6.694 -3.000 185 HE1 TYR 24 HE1 TYR 24 -23.223 8.498 0.556 186 HE2 TYR 24 HE2 TYR 24 -27.114 7.582 -0.938 187 HH TYR 24 HH TYR 24 -25.108 8.730 1.752 188 H ASP 25 H ASP 25 -24.419 4.054 -2.049 189 HA ASP 25 HA ASP 25 -23.694 4.745 0.545 190 1HB ASP 25 2HB ASP 25 -25.187 2.342 -0.496 191 2HB ASP 25 1HB ASP 25 -24.908 2.604 1.218 192 H CYS 26 H CYS 26 -23.119 1.520 -0.899 193 HA CYS 26 HA CYS 26 -21.344 0.641 1.044 194 1HB CYS 26 2HB CYS 26 -20.821 -0.105 -1.810 195 2HB CYS 26 1HB CYS 26 -20.840 -1.123 -0.373 196 H LYS 27 H LYS 27 -20.784 2.581 -1.837 197 HA LYS 27 HA LYS 27 -18.006 2.630 -1.841 198 1HB LYS 27 2HB LYS 27 -19.713 3.566 -3.545 199 2HB LYS 27 1HB LYS 27 -19.629 5.038 -2.587 200 1HG LYS 27 2HG LYS 27 -18.050 5.446 -4.198 201 2HG LYS 27 1HG LYS 27 -17.058 4.766 -2.907 202 1HD LYS 27 2HD LYS 27 -17.413 2.513 -4.047 203 2HD LYS 27 1HD LYS 27 -18.023 3.433 -5.422 204 1HE LYS 27 2HE LYS 27 -15.342 3.996 -4.193 205 2HE LYS 27 1HE LYS 27 -15.558 2.775 -5.445 206 1HZ LYS 27 2HZ LYS 27 -16.803 4.857 -6.546 207 2HZ LYS 27 1HZ LYS 27 -15.616 5.665 -5.653 208 3HZ LYS 27 3HZ LYS 27 -15.169 4.503 -6.800 209 H LEU 28 H LEU 28 -19.803 3.510 0.744 210 HA LEU 28 HA LEU 28 -17.622 4.971 1.900 211 1HB LEU 28 2HB LEU 28 -18.642 6.794 0.680 212 2HB LEU 28 1HB LEU 28 -20.209 6.428 1.377 213 HG LEU 28 HG LEU 28 -19.348 7.032 3.608 214 1HD1 LEU 28 3HD1 LEU 28 -16.827 7.412 2.055 215 2HD1 LEU 28 2HD1 LEU 28 -17.138 8.400 3.483 216 3HD1 LEU 28 1HD1 LEU 28 -17.078 6.643 3.622 217 1HD2 LEU 28 2HD2 LEU 28 -19.085 9.085 1.420 218 2HD2 LEU 28 1HD2 LEU 28 -20.496 8.742 2.421 219 3HD2 LEU 28 3HD2 LEU 28 -19.064 9.482 3.139 220 H ASP 29 H ASP 29 -20.987 3.936 2.182 221 HA ASP 29 HA ASP 29 -21.160 4.209 4.997 222 1HB ASP 29 2HB ASP 29 -22.706 2.591 2.979 223 2HB ASP 29 1HB ASP 29 -23.048 2.479 4.702 224 H LYS 30 H LYS 30 -20.563 1.380 2.925 225 HA LYS 30 HA LYS 30 -19.540 -0.073 5.275 226 1HB LYS 30 2HB LYS 30 -20.112 -1.360 2.622 227 2HB LYS 30 1HB LYS 30 -20.091 -2.087 4.222 228 1HG LYS 30 2HG LYS 30 -22.156 -0.035 3.518 229 2HG LYS 30 1HG LYS 30 -22.349 -1.716 3.029 230 1HD LYS 30 2HD LYS 30 -21.622 -1.224 5.863 231 2HD LYS 30 1HD LYS 30 -23.252 -0.765 5.369 232 1HE LYS 30 2HE LYS 30 -23.219 -3.041 6.229 233 2HE LYS 30 1HE LYS 30 -23.629 -3.026 4.514 234 1HZ LYS 30 2HZ LYS 30 -21.334 -3.614 4.007 235 2HZ LYS 30 1HZ LYS 30 -20.961 -3.656 5.657 236 3HZ LYS 30 3HZ LYS 30 -22.053 -4.773 5.007 237 H HIS 31 H HIS 31 -18.379 1.886 3.050 238 HA HIS 31 HA HIS 31 -16.441 2.157 1.887 239 1HB HIS 31 2HB HIS 31 -14.492 0.885 3.354 240 2HB HIS 31 1HB HIS 31 -15.143 2.479 3.710 241 HD1 HIS 31 HD1 HIS 31 -15.143 -1.040 4.919 242 HD2 HIS 31 HD2 HIS 31 -16.894 2.595 5.909 243 HE1 HIS 31 HE1 HIS 31 -16.126 -1.370 7.210 244 HE2 HIS 31 HE2 HIS 31 -17.090 0.873 7.830 245 H ALA 32 H ALA 32 -17.864 0.265 0.667 246 HA ALA 32 HA ALA 32 -16.261 -2.120 0.267 247 1HB ALA 32 2HB ALA 32 -18.826 -2.027 0.283 248 2HB ALA 32 1HB ALA 32 -18.685 -1.361 -1.343 249 3HB ALA 32 3HB ALA 32 -18.049 -2.968 -0.990 250 H ARG 33 H ARG 33 -17.539 -1.652 -2.648 251 HA ARG 33 HA ARG 33 -15.409 0.040 -3.712 252 1HB ARG 33 2HB ARG 33 -15.215 -2.713 -3.744 253 2HB ARG 33 1HB ARG 33 -15.875 -2.364 -5.334 254 1HG ARG 33 2HG ARG 33 -13.443 -1.007 -4.218 255 2HG ARG 33 1HG ARG 33 -13.380 -2.477 -5.194 256 1HD ARG 33 2HD ARG 33 -14.509 -1.305 -7.023 257 2HD ARG 33 1HD ARG 33 -14.576 0.160 -6.045 258 HE ARG 33 HE ARG 33 -11.919 -0.540 -6.158 259 1HH1 ARG 33 1HH2 ARG 33 -14.423 0.247 -8.444 260 2HH1 ARG 33 2HH2 ARG 33 -13.331 0.920 -9.608 261 1HH2 ARG 33 2HH1 ARG 33 -10.469 0.345 -7.683 262 2HH2 ARG 33 1HH1 ARG 33 -11.085 0.978 -9.173 263 H SER 34 H SER 34 -18.357 -1.799 -4.348 264 HA SER 34 HA SER 34 -19.490 0.410 -5.801 265 1HB SER 34 2HB SER 34 -20.006 -1.191 -7.794 266 2HB SER 34 1HB SER 34 -18.420 -0.426 -7.708 267 HG SER 34 HG SER 34 -17.874 -2.476 -7.982 268 H GLY 35 H GLY 35 -21.569 -0.997 -7.069 269 1HA GLY 35 2HA GLY 35 -22.842 -2.998 -5.691 270 2HA GLY 35 1HA GLY 35 -23.238 -1.532 -4.806 271 H GLU 36 H GLU 36 -25.324 -2.801 -5.748 272 HA GLU 36 HA GLU 36 -26.573 -0.951 -7.460 273 1HB GLU 36 2HB GLU 36 -25.048 -2.293 -9.062 274 2HB GLU 36 1HB GLU 36 -26.185 -3.609 -8.821 275 1HG GLU 36 2HG GLU 36 -27.857 -2.566 -9.978 276 2HG GLU 36 1HG GLU 36 -27.244 -0.950 -9.628 277 H CYS 37 H CYS 37 -28.786 -1.777 -8.170 278 HA CYS 37 HA CYS 37 -29.935 -3.198 -5.916 279 1HB CYS 37 2HB CYS 37 -31.372 -1.983 -8.278 280 2HB CYS 37 1HB CYS 37 -32.065 -2.425 -6.721 281 H PHE 38 H PHE 38 -31.204 -5.052 -6.051 282 HA PHE 38 HA PHE 38 -31.373 -6.454 -8.597 283 1HB PHE 38 2HB PHE 38 -29.628 -7.277 -6.337 284 2HB PHE 38 1HB PHE 38 -30.548 -8.553 -7.128 285 HD1 PHE 38 HD1 PHE 38 -27.912 -6.047 -7.542 286 HD2 PHE 38 HD2 PHE 38 -30.076 -9.211 -9.391 287 HE1 PHE 38 HE1 PHE 38 -26.234 -6.138 -9.340 288 HE2 PHE 38 HE2 PHE 38 -28.402 -9.309 -11.191 289 HZ PHE 38 HZ PHE 38 -26.477 -7.772 -11.168 290 H TYR 39 H TYR 39 -33.236 -7.528 -8.792 291 HA TYR 39 HA TYR 39 -35.175 -7.360 -6.705 292 1HB TYR 39 2HB TYR 39 -35.139 -8.375 -9.511 293 2HB TYR 39 1HB TYR 39 -36.454 -8.885 -8.457 294 HD1 TYR 39 HD1 TYR 39 -38.076 -7.261 -7.614 295 HD2 TYR 39 HD2 TYR 39 -34.962 -6.090 -10.266 296 HE1 TYR 39 HE1 TYR 39 -39.267 -5.160 -8.075 297 HE2 TYR 39 HE2 TYR 39 -36.143 -3.983 -10.730 298 HH TYR 39 HH TYR 39 -38.661 -3.222 -10.620 299 H ASP 40 H ASP 40 -36.640 -9.588 -6.724 300 HA ASP 40 HA ASP 40 -35.108 -11.975 -6.372 301 1HB ASP 40 2HB ASP 40 -35.926 -12.072 -3.859 302 2HB ASP 40 1HB ASP 40 -34.406 -11.291 -4.285 303 H GLU 41 H GLU 41 -36.700 -13.472 -4.804 304 HA GLU 41 HA GLU 41 -38.873 -14.053 -6.474 305 1HB GLU 41 2HB GLU 41 -38.498 -14.907 -3.598 306 2HB GLU 41 1HB GLU 41 -39.515 -15.692 -4.798 307 1HG GLU 41 2HG GLU 41 -37.620 -16.390 -6.061 308 2HG GLU 41 1HG GLU 41 -36.534 -15.420 -5.068 309 H LYS 42 H LYS 42 -38.556 -11.798 -3.912 310 HA LYS 42 HA LYS 42 -41.463 -11.558 -3.588 311 1HB LYS 42 2HB LYS 42 -39.191 -10.287 -2.051 312 2HB LYS 42 1HB LYS 42 -40.897 -10.023 -1.720 313 1HG LYS 42 2HG LYS 42 -39.787 -12.793 -1.727 314 2HG LYS 42 1HG LYS 42 -39.565 -11.747 -0.324 315 1HD LYS 42 2HD LYS 42 -41.737 -11.905 0.293 316 2HD LYS 42 1HD LYS 42 -42.319 -11.815 -1.369 317 1HE LYS 42 2HE LYS 42 -41.871 -14.139 -1.721 318 2HE LYS 42 1HE LYS 42 -41.058 -14.270 -0.162 319 1HZ LYS 42 2HZ LYS 42 -43.704 -13.259 0.121 320 2HZ LYS 42 1HZ LYS 42 -43.707 -14.755 -0.670 321 3HZ LYS 42 3HZ LYS 42 -42.987 -14.604 0.854 322 H ARG 43 H ARG 43 -40.043 -10.714 -6.022 323 HA ARG 43 HA ARG 43 -39.688 -8.854 -7.349 324 1HB ARG 43 2HB ARG 43 -42.234 -9.460 -7.208 325 2HB ARG 43 1HB ARG 43 -42.357 -7.927 -6.355 326 1HG ARG 43 2HG ARG 43 -41.295 -6.816 -8.303 327 2HG ARG 43 1HG ARG 43 -41.342 -8.361 -9.157 328 1HD ARG 43 2HD ARG 43 -43.650 -8.349 -9.319 329 2HD ARG 43 1HD ARG 43 -43.843 -7.244 -7.959 330 HE ARG 43 HE ARG 43 -42.705 -5.603 -9.632 331 1HH1 ARG 43 1HH2 ARG 43 -45.065 -8.059 -10.364 332 2HH1 ARG 43 2HH2 ARG 43 -45.724 -7.204 -11.719 333 1HH2 ARG 43 2HH1 ARG 43 -43.564 -4.471 -11.418 334 2HH2 ARG 43 1HH1 ARG 43 -44.867 -5.167 -12.321 335 H ASN 44 H ASN 44 -38.592 -8.483 -4.720 336 HA ASN 44 HA ASN 44 -39.204 -5.702 -4.060 337 1HB ASN 44 2HB ASN 44 -37.904 -7.978 -2.658 338 2HB ASN 44 1HB ASN 44 -37.310 -6.371 -2.256 339 1HD2 ASN 44 2HD2 ASN 44 -39.806 -6.166 0.123 340 2HD2 ASN 44 1HD2 ASN 44 -38.120 -6.162 -0.254 341 H LEU 45 H LEU 45 -36.675 -4.944 -3.048 342 HA LEU 45 HA LEU 45 -34.830 -5.112 -5.305 343 1HB LEU 45 2HB LEU 45 -36.234 -2.638 -4.387 344 2HB LEU 45 1HB LEU 45 -34.606 -2.511 -5.023 345 HG LEU 45 HG LEU 45 -36.615 -3.982 -6.659 346 1HD1 LEU 45 1HD1 LEU 45 -36.527 -0.981 -6.388 347 2HD1 LEU 45 3HD1 LEU 45 -37.342 -1.851 -7.688 348 3HD1 LEU 45 2HD1 LEU 45 -37.888 -2.040 -6.022 349 1HD2 LEU 45 2HD2 LEU 45 -34.359 -2.089 -7.313 350 2HD2 LEU 45 1HD2 LEU 45 -34.293 -3.851 -7.383 351 3HD2 LEU 45 3HD2 LEU 45 -35.346 -2.963 -8.485 352 H GLN 46 H GLN 46 -33.210 -6.022 -4.142 353 HA GLN 46 HA GLN 46 -32.451 -4.852 -1.575 354 1HB GLN 46 2HB GLN 46 -31.376 -7.289 -3.005 355 2HB GLN 46 1HB GLN 46 -30.923 -6.775 -1.384 356 1HG GLN 46 2HG GLN 46 -32.992 -7.331 -0.492 357 2HG GLN 46 1HG GLN 46 -33.781 -7.324 -2.069 358 1HE2 GLN 46 2HE2 GLN 46 -32.147 -10.507 -2.932 359 2HE2 GLN 46 1HE2 GLN 46 -32.169 -8.898 -3.561 360 H CYS 47 H CYS 47 -30.377 -4.085 -1.114 361 HA CYS 47 HA CYS 47 -29.018 -2.895 -3.412 362 1HB CYS 47 2HB CYS 47 -29.352 -2.217 -0.555 363 2HB CYS 47 1HB CYS 47 -27.774 -1.829 -1.228 364 H ILE 48 H ILE 48 -27.426 -4.080 -4.263 365 HA ILE 48 HA ILE 48 -25.889 -5.915 -2.628 366 HB ILE 48 HB ILE 48 -25.865 -5.370 -5.589 367 1HG1 ILE 48 2HG1 ILE 48 -27.785 -6.647 -4.436 368 2HG1 ILE 48 1HG1 ILE 48 -27.017 -7.403 -5.829 369 1HG2 ILE 48 3HG2 ILE 48 -24.082 -7.068 -3.896 370 2HG2 ILE 48 2HG2 ILE 48 -24.456 -7.550 -5.551 371 3HG2 ILE 48 1HG2 ILE 48 -23.669 -6.003 -5.239 372 1HD1 ILE 48 2HD1 ILE 48 -25.801 -8.109 -3.267 373 2HD1 ILE 48 1HD1 ILE 48 -27.482 -8.613 -3.444 374 3HD1 ILE 48 3HD1 ILE 48 -26.278 -9.131 -4.624 375 H CYS 49 H CYS 49 -23.929 -5.551 -1.821 376 HA CYS 49 HA CYS 49 -22.473 -3.126 -2.668 377 1HB CYS 49 2HB CYS 49 -22.539 -4.632 -0.059 378 2HB CYS 49 1HB CYS 49 -21.278 -3.464 -0.432 379 H ASP 50 H ASP 50 -20.791 -3.490 -3.946 380 HA ASP 50 HA ASP 50 -19.465 -6.101 -3.892 381 1HB ASP 50 2HB ASP 50 -19.986 -4.093 -5.930 382 2HB ASP 50 1HB ASP 50 -18.279 -4.521 -5.901 383 H TYR 51 H TYR 51 -17.466 -6.414 -3.159 384 HA TYR 51 HA TYR 51 -16.113 -4.130 -1.918 385 1HB TYR 51 2HB TYR 51 -16.011 -7.098 -1.476 386 2HB TYR 51 1HB TYR 51 -14.812 -6.016 -0.768 387 HD1 TYR 51 HD2 TYR 51 -18.522 -6.250 -1.113 388 HD2 TYR 51 HD1 TYR 51 -15.221 -5.315 1.402 389 HE1 TYR 51 HE2 TYR 51 -20.070 -5.791 0.736 390 HE2 TYR 51 HE1 TYR 51 -16.763 -4.854 3.264 391 HH TYR 51 HH TYR 51 -20.060 -5.717 3.171 392 H CYS 52 H CYS 52 -15.582 -6.694 -4.276 393 HA CYS 52 HA CYS 52 -13.257 -5.251 -5.242 394 1HB CYS 52 2HB CYS 52 -12.455 -8.008 -5.209 395 2HB CYS 52 1HB CYS 52 -11.700 -6.639 -4.415 396 H GLU 53 H GLU 53 -13.848 -8.616 -5.994 397 HA GLU 53 HA GLU 53 -15.655 -8.383 -8.098 398 1HB GLU 53 2HB GLU 53 -14.257 -8.429 -10.067 399 2HB GLU 53 1HB GLU 53 -13.852 -6.995 -9.139 400 1HG GLU 53 2HG GLU 53 -12.017 -8.569 -8.117 401 2HG GLU 53 1HG GLU 53 -12.264 -9.456 -9.621 402 H TYR 54 HN TYR 54 -12.809 -9.940 -6.789 403 HA TYR 54 HA TYR 54 -13.749 -12.550 -7.780 404 1HB TYR 54 2HB TYR 54 -11.159 -11.353 -7.657 405 2HB TYR 54 1HB TYR 54 -11.150 -12.739 -6.575 406 HD1 TYR 54 HD1 TYR 54 -12.879 -12.205 -9.844 407 HD2 TYR 54 HD2 TYR 54 -9.985 -14.425 -7.652 408 HE1 TYR 54 HE1 TYR 54 -12.585 -13.706 -11.764 409 HE2 TYR 54 HE2 TYR 54 -9.679 -15.929 -9.572 410 HH TYR 54 HH TYR 54 -11.296 -16.620 -11.639 No H/Q in entry = 410 Start of MODEL 37 1 HN PCA 1 HN PCA 1 -17.179 -13.448 -10.741 2 HA PCA 1 HA PCA 1 -19.656 -13.347 -10.221 3 1HB PCA 1 1HB PCA 1 -20.964 -14.276 -11.817 4 2HB PCA 1 2HB PCA 1 -20.425 -15.890 -11.298 5 1HG PCA 1 1HG PCA 1 -19.680 -14.470 -13.683 6 2HG PCA 1 2HG PCA 1 -19.048 -16.026 -13.116 7 H ASP 2 H ASP 2 -17.057 -14.652 -9.282 8 HA ASP 2 HA ASP 2 -17.717 -17.080 -7.990 9 1HB ASP 2 2HB ASP 2 -15.677 -16.308 -6.498 10 2HB ASP 2 1HB ASP 2 -15.433 -16.820 -8.166 11 H LYS 3 H LYS 3 -16.448 -14.773 -5.795 12 HA LYS 3 HA LYS 3 -19.023 -14.331 -4.499 13 1HB LYS 3 2HB LYS 3 -17.760 -16.473 -3.675 14 2HB LYS 3 1HB LYS 3 -16.754 -15.316 -2.814 15 1HG LYS 3 2HG LYS 3 -19.748 -15.426 -2.575 16 2HG LYS 3 1HG LYS 3 -18.646 -16.281 -1.497 17 1HD LYS 3 2HD LYS 3 -17.576 -13.858 -1.283 18 2HD LYS 3 1HD LYS 3 -19.212 -13.371 -1.732 19 1HE LYS 3 2HE LYS 3 -19.294 -13.426 0.590 20 2HE LYS 3 1HE LYS 3 -19.965 -14.987 0.129 21 1HZ LYS 3 1HZ LYS 3 -17.431 -15.659 0.344 22 2HZ LYS 3 3HZ LYS 3 -17.434 -14.367 1.437 23 3HZ LYS 3 2HZ LYS 3 -18.481 -15.677 1.671 24 H CYS 4 H CYS 4 -19.186 -12.378 -3.635 25 HA CYS 4 HA CYS 4 -17.518 -10.875 -2.179 26 1HB CYS 4 2HB CYS 4 -16.607 -10.914 -4.999 27 2HB CYS 4 1HB CYS 4 -16.640 -9.329 -4.232 28 H LYS 5 H LYS 5 -20.200 -11.139 -2.482 29 HA LYS 5 HA LYS 5 -21.014 -8.390 -3.042 30 1HB LYS 5 2HB LYS 5 -22.839 -10.562 -3.990 31 2HB LYS 5 1HB LYS 5 -22.722 -8.893 -4.520 32 1HG LYS 5 2HG LYS 5 -20.517 -10.835 -5.101 33 2HG LYS 5 1HG LYS 5 -21.962 -10.771 -6.102 34 1HD LYS 5 2HD LYS 5 -20.419 -8.277 -5.479 35 2HD LYS 5 1HD LYS 5 -19.909 -9.353 -6.781 36 1HE LYS 5 2HE LYS 5 -22.303 -9.163 -7.649 37 2HE LYS 5 1HE LYS 5 -22.484 -7.822 -6.521 38 1HZ LYS 5 2HZ LYS 5 -20.169 -7.762 -8.292 39 2HZ LYS 5 1HZ LYS 5 -21.680 -7.480 -8.999 40 3HZ LYS 5 3HZ LYS 5 -21.137 -6.494 -7.735 41 H LYS 6 H LYS 6 -21.318 -8.038 -0.844 42 HA LYS 6 HA LYS 6 -23.140 -9.825 0.603 43 1HB LYS 6 2HB LYS 6 -21.348 -7.578 1.520 44 2HB LYS 6 1HB LYS 6 -22.469 -8.417 2.586 45 1HG LYS 6 2HG LYS 6 -21.317 -10.493 2.264 46 2HG LYS 6 1HG LYS 6 -20.277 -9.774 1.034 47 1HD LYS 6 2HD LYS 6 -19.067 -8.549 2.586 48 2HD LYS 6 1HD LYS 6 -20.355 -8.614 3.792 49 1HE LYS 6 2HE LYS 6 -19.713 -10.657 4.561 50 2HE LYS 6 1HE LYS 6 -19.166 -11.202 2.976 51 1HZ LYS 6 1HZ LYS 6 -17.707 -9.208 4.615 52 2HZ LYS 6 3HZ LYS 6 -17.367 -10.867 4.632 53 3HZ LYS 6 2HZ LYS 6 -17.165 -9.976 3.209 54 H VAL 7 H VAL 7 -25.218 -9.331 0.973 55 HA VAL 7 HA VAL 7 -26.384 -7.034 -0.166 56 HB VAL 7 HB VAL 7 -28.444 -7.838 0.441 57 1HG1 VAL 7 2HG1 VAL 7 -27.058 -9.508 -0.825 58 2HG1 VAL 7 1HG1 VAL 7 -26.845 -10.364 0.702 59 3HG1 VAL 7 3HG1 VAL 7 -28.460 -10.158 0.026 60 1HG2 VAL 7 2HG2 VAL 7 -27.112 -8.823 2.931 61 2HG2 VAL 7 1HG2 VAL 7 -28.528 -7.785 2.749 62 3HG2 VAL 7 3HG2 VAL 7 -28.651 -9.513 2.416 63 H TYR 8 H TYR 8 -26.917 -5.091 0.609 64 HA TYR 8 HA TYR 8 -25.882 -4.282 3.180 65 1HB TYR 8 2HB TYR 8 -25.919 -2.849 1.058 66 2HB TYR 8 1HB TYR 8 -27.649 -2.671 1.317 67 HD1 TYR 8 HD1 TYR 8 -28.366 -1.684 3.602 68 HD2 TYR 8 HD2 TYR 8 -24.439 -1.338 2.043 69 HE1 TYR 8 HE1 TYR 8 -27.952 0.227 5.090 70 HE2 TYR 8 HE2 TYR 8 -24.007 0.573 3.515 71 HH TYR 8 HH TYR 8 -25.095 1.334 5.906 72 H GLU 9 H GLU 9 -27.056 -5.400 4.735 73 HA GLU 9 HA GLU 9 -29.713 -6.027 4.764 74 1HB GLU 9 2HB GLU 9 -28.849 -5.156 7.423 75 2HB GLU 9 1HB GLU 9 -29.285 -6.761 6.857 76 1HG GLU 9 2HG GLU 9 -27.001 -6.935 5.858 77 2HG GLU 9 1HG GLU 9 -26.604 -5.419 6.665 78 H ASN 10 H ASN 10 -31.233 -4.997 6.618 79 HA ASN 10 HA ASN 10 -32.904 -3.321 6.389 80 1HB ASN 10 2HB ASN 10 -30.639 -2.378 8.138 81 2HB ASN 10 1HB ASN 10 -32.183 -1.536 8.058 82 1HD2 ASN 10 2HD2 ASN 10 -32.620 -3.658 10.908 83 2HD2 ASN 10 1HD2 ASN 10 -31.873 -2.175 10.431 84 H TYR 11 H TYR 11 -33.396 -2.197 4.650 85 HA TYR 11 HA TYR 11 -32.283 0.357 4.123 86 1HB TYR 11 2HB TYR 11 -30.567 -1.370 3.191 87 2HB TYR 11 1HB TYR 11 -31.744 -1.601 1.906 88 HD1 TYR 11 HD2 TYR 11 -29.602 0.940 3.550 89 HD2 TYR 11 HD1 TYR 11 -31.875 -0.083 0.097 90 HE1 TYR 11 HE2 TYR 11 -28.685 2.893 2.374 91 HE2 TYR 11 HE1 TYR 11 -30.971 1.879 -1.078 92 HH TYR 11 HH TYR 11 -29.312 3.440 -1.039 93 HA PRO 12 HA PRO 12 -36.339 1.015 2.388 94 1HB PRO 12 2HB PRO 12 -34.805 2.317 0.168 95 2HB PRO 12 1HB PRO 12 -36.252 2.881 1.015 96 1HG PRO 12 2HG PRO 12 -33.867 3.868 1.630 97 2HG PRO 12 1HG PRO 12 -35.059 3.525 2.896 98 1HD PRO 12 2HD PRO 12 -32.569 2.069 2.201 99 2HD PRO 12 1HD PRO 12 -33.400 2.222 3.762 100 H VAL 13 H VAL 13 -36.280 1.444 -0.662 101 HA VAL 13 HA VAL 13 -35.568 -0.973 -1.918 102 HB VAL 13 HB VAL 13 -38.289 -0.864 -0.666 103 1HG1 VAL 13 1HG1 VAL 13 -37.764 -1.973 -3.400 104 2HG1 VAL 13 3HG1 VAL 13 -39.049 -2.611 -2.373 105 3HG1 VAL 13 2HG1 VAL 13 -39.067 -0.915 -2.857 106 1HG2 VAL 13 3HG2 VAL 13 -36.067 -2.781 -0.790 107 2HG2 VAL 13 2HG2 VAL 13 -37.325 -2.580 0.427 108 3HG2 VAL 13 1HG2 VAL 13 -37.650 -3.518 -1.022 109 H SER 14 H SER 14 -38.322 1.302 -1.916 110 HA SER 14 HA SER 14 -38.663 1.390 -4.684 111 1HB SER 14 2HB SER 14 -40.073 3.285 -4.317 112 2HB SER 14 1HB SER 14 -40.273 2.219 -2.926 113 HG SER 14 HG SER 14 -39.979 4.233 -2.099 114 H LYS 15 H LYS 15 -36.211 1.442 -5.072 115 HA LYS 15 HA LYS 15 -35.584 3.875 -6.312 116 1HB LYS 15 2HB LYS 15 -34.841 3.730 -3.532 117 2HB LYS 15 1HB LYS 15 -33.386 3.820 -4.517 118 1HG LYS 15 2HG LYS 15 -34.317 5.822 -5.635 119 2HG LYS 15 1HG LYS 15 -35.699 5.751 -4.541 120 1HD LYS 15 2HD LYS 15 -33.774 5.709 -2.717 121 2HD LYS 15 1HD LYS 15 -32.877 6.517 -4.004 122 1HE LYS 15 2HE LYS 15 -35.369 7.413 -2.596 123 2HE LYS 15 1HE LYS 15 -33.831 8.256 -2.756 124 1HZ LYS 15 2HZ LYS 15 -34.356 8.285 -5.232 125 2HZ LYS 15 1HZ LYS 15 -35.939 7.883 -4.791 126 3HZ LYS 15 3HZ LYS 15 -35.248 9.324 -4.238 127 H CYS 16 H CYS 16 -33.615 1.497 -4.560 128 HA CYS 16 HA CYS 16 -31.587 0.608 -5.447 129 1HB CYS 16 2HB CYS 16 -33.961 -0.883 -5.338 130 2HB CYS 16 1HB CYS 16 -33.130 -1.411 -6.794 131 H GLN 17 H GLN 17 -33.956 0.236 -8.090 132 HA GLN 17 HA GLN 17 -32.151 -0.104 -10.157 133 1HB GLN 17 2HB GLN 17 -34.790 1.312 -10.489 134 2HB GLN 17 1HB GLN 17 -33.941 0.320 -11.665 135 1HG GLN 17 2HG GLN 17 -34.504 -1.661 -10.584 136 2HG GLN 17 1HG GLN 17 -34.909 -0.836 -9.081 137 1HE2 GLN 17 2HE2 GLN 17 -38.199 -0.107 -9.975 138 2HE2 GLN 17 1HE2 GLN 17 -36.895 0.186 -8.880 139 H LEU 18 H LEU 18 -30.860 1.778 -8.853 140 HA LEU 18 HA LEU 18 -30.412 3.799 -10.807 141 1HB LEU 18 2HB LEU 18 -31.801 4.491 -8.235 142 2HB LEU 18 1HB LEU 18 -30.677 5.636 -8.936 143 HG LEU 18 HG LEU 18 -33.293 4.679 -10.081 144 1HD1 LEU 18 2HD1 LEU 18 -32.204 7.369 -9.290 145 2HD1 LEU 18 1HD1 LEU 18 -33.732 7.121 -10.134 146 3HD1 LEU 18 3HD1 LEU 18 -33.507 6.469 -8.512 147 1HD2 LEU 18 1HD2 LEU 18 -30.956 5.927 -11.449 148 2HD2 LEU 18 3HD2 LEU 18 -32.091 4.715 -12.041 149 3HD2 LEU 18 2HD2 LEU 18 -32.585 6.404 -11.931 150 H ALA 19 H ALA 19 -28.306 3.197 -10.835 151 HA ALA 19 HA ALA 19 -26.706 2.372 -8.766 152 1HB ALA 19 2HB ALA 19 -26.027 3.890 -11.267 153 2HB ALA 19 1HB ALA 19 -24.795 3.304 -10.150 154 3HB ALA 19 3HB ALA 19 -25.870 2.162 -10.956 155 H ASN 20 H ASN 20 -27.211 3.564 -6.904 156 HA ASN 20 HA ASN 20 -25.478 5.720 -6.356 157 1HB ASN 20 2HB ASN 20 -27.041 7.040 -7.658 158 2HB ASN 20 1HB ASN 20 -28.398 6.416 -6.724 159 1HD2 ASN 20 2HD2 ASN 20 -25.866 8.723 -4.521 160 2HD2 ASN 20 1HD2 ASN 20 -25.282 7.377 -5.431 161 H GLN 21 H GLN 21 -28.805 5.302 -5.219 162 HA GLN 21 HA GLN 21 -28.134 5.320 -2.502 163 1HB GLN 21 2HB GLN 21 -30.532 4.957 -4.117 164 2HB GLN 21 1HB GLN 21 -30.588 4.004 -2.643 165 1HG GLN 21 2HG GLN 21 -31.596 6.090 -2.174 166 2HG GLN 21 1HG GLN 21 -30.025 6.081 -1.377 167 1HE2 GLN 21 2HE2 GLN 21 -28.645 8.648 -3.326 168 2HE2 GLN 21 1HE2 GLN 21 -28.314 7.293 -2.308 169 H CYS 22 H CYS 22 -26.431 3.532 -3.671 170 HA CYS 22 HA CYS 22 -26.537 1.315 -1.920 171 1HB CYS 22 2HB CYS 22 -26.719 0.565 -4.843 172 2HB CYS 22 1HB CYS 22 -26.751 -0.511 -3.464 173 H ASN 23 H ASN 23 -25.372 2.148 -5.187 174 HA ASN 23 HA ASN 23 -22.777 1.162 -4.898 175 1HB ASN 23 2HB ASN 23 -24.242 2.588 -6.861 176 2HB ASN 23 1HB ASN 23 -22.772 3.512 -6.576 177 1HD2 ASN 23 2HD2 ASN 23 -21.125 1.492 -8.834 178 2HD2 ASN 23 1HD2 ASN 23 -21.583 3.075 -8.313 179 H TYR 24 H TYR 24 -23.972 4.485 -4.512 180 HA TYR 24 HA TYR 24 -21.596 5.640 -3.610 181 1HB TYR 24 2HB TYR 24 -22.975 7.410 -3.839 182 2HB TYR 24 1HB TYR 24 -24.392 6.373 -3.776 183 HD1 TYR 24 HD1 TYR 24 -21.809 7.430 -1.294 184 HD2 TYR 24 HD2 TYR 24 -25.943 7.125 -2.243 185 HE1 TYR 24 HE1 TYR 24 -22.372 8.351 0.906 186 HE2 TYR 24 HE2 TYR 24 -26.523 8.051 -0.040 187 HH TYR 24 HH TYR 24 -24.074 9.303 2.131 188 H ASP 25 H ASP 25 -24.251 4.167 -1.771 189 HA ASP 25 HA ASP 25 -23.220 4.601 0.785 190 1HB ASP 25 2HB ASP 25 -24.999 2.393 -0.255 191 2HB ASP 25 1HB ASP 25 -24.651 2.640 1.453 192 H CYS 26 H CYS 26 -23.171 1.420 -0.866 193 HA CYS 26 HA CYS 26 -21.341 0.247 0.840 194 1HB CYS 26 2HB CYS 26 -21.530 -0.276 -2.137 195 2HB CYS 26 1HB CYS 26 -20.889 -1.373 -0.919 196 H LYS 27 H LYS 27 -20.770 2.207 -2.036 197 HA LYS 27 HA LYS 27 -17.995 1.914 -2.200 198 1HB LYS 27 2HB LYS 27 -19.251 2.877 -4.017 199 2HB LYS 27 1HB LYS 27 -19.759 4.226 -3.007 200 1HG LYS 27 2HG LYS 27 -17.747 5.290 -3.164 201 2HG LYS 27 1HG LYS 27 -16.845 3.789 -3.383 202 1HD LYS 27 2HD LYS 27 -17.279 3.699 -5.646 203 2HD LYS 27 1HD LYS 27 -18.757 4.654 -5.505 204 1HE LYS 27 2HE LYS 27 -16.604 5.702 -6.557 205 2HE LYS 27 1HE LYS 27 -17.626 6.656 -5.483 206 1HZ LYS 27 3HZ LYS 27 -15.192 5.189 -4.620 207 2HZ LYS 27 2HZ LYS 27 -15.239 6.841 -4.974 208 3HZ LYS 27 1HZ LYS 27 -16.132 6.232 -3.674 209 H LEU 28 H LEU 28 -19.481 2.932 0.489 210 HA LEU 28 HA LEU 28 -17.123 4.249 1.463 211 1HB LEU 28 2HB LEU 28 -18.219 6.082 0.235 212 2HB LEU 28 1HB LEU 28 -19.650 5.878 1.226 213 HG LEU 28 HG LEU 28 -18.447 6.591 3.201 214 1HD1 LEU 28 1HD1 LEU 28 -16.077 6.470 1.378 215 2HD1 LEU 28 3HD1 LEU 28 -16.083 7.536 2.784 216 3HD1 LEU 28 2HD1 LEU 28 -16.278 5.796 2.995 217 1HD2 LEU 28 3HD2 LEU 28 -19.356 8.226 1.389 218 2HD2 LEU 28 2HD2 LEU 28 -18.373 8.844 2.717 219 3HD2 LEU 28 1HD2 LEU 28 -17.648 8.587 1.128 220 H ASP 29 H ASP 29 -20.561 3.595 2.038 221 HA ASP 29 HA ASP 29 -20.400 3.796 4.864 222 1HB ASP 29 2HB ASP 29 -22.417 2.512 3.021 223 2HB ASP 29 1HB ASP 29 -22.603 2.530 4.773 224 H LYS 30 H LYS 30 -19.291 1.442 2.711 225 HA LYS 30 HA LYS 30 -18.842 -0.421 4.935 226 1HB LYS 30 2HB LYS 30 -20.516 -0.909 2.611 227 2HB LYS 30 1HB LYS 30 -19.206 -2.070 2.688 228 1HG LYS 30 2HG LYS 30 -20.964 -3.071 3.844 229 2HG LYS 30 1HG LYS 30 -19.886 -2.464 5.100 230 1HD LYS 30 2HD LYS 30 -21.340 -0.776 5.713 231 2HD LYS 30 1HD LYS 30 -22.156 -0.761 4.149 232 1HE LYS 30 2HE LYS 30 -22.402 -2.812 6.340 233 2HE LYS 30 1HE LYS 30 -23.648 -1.711 5.752 234 1HZ LYS 30 3HZ LYS 30 -23.022 -3.000 3.510 235 2HZ LYS 30 2HZ LYS 30 -22.724 -4.225 4.638 236 3HZ LYS 30 1HZ LYS 30 -24.250 -3.500 4.561 237 H HIS 31 H HIS 31 -17.472 1.518 2.794 238 HA HIS 31 HA HIS 31 -15.477 1.662 1.714 239 1HB HIS 31 2HB HIS 31 -13.812 -0.174 3.029 240 2HB HIS 31 1HB HIS 31 -14.039 1.520 3.442 241 HD1 HIS 31 HD1 HIS 31 -14.176 -1.702 4.919 242 HD2 HIS 31 HD2 HIS 31 -16.417 1.775 5.301 243 HE1 HIS 31 HE1 HIS 31 -15.362 -1.907 7.126 244 HE2 HIS 31 HE2 HIS 31 -16.782 0.167 7.294 245 H ALA 32 H ALA 32 -17.359 -0.142 0.592 246 HA ALA 32 HA ALA 32 -15.882 -2.480 -0.285 247 1HB ALA 32 1HB ALA 32 -18.672 -1.545 -0.417 248 2HB ALA 32 3HB ALA 32 -18.138 -2.467 -1.821 249 3HB ALA 32 2HB ALA 32 -18.035 -3.174 -0.210 250 H ARG 33 H ARG 33 -16.665 -2.727 -2.914 251 HA ARG 33 HA ARG 33 -14.960 -0.725 -4.198 252 1HB ARG 33 2HB ARG 33 -14.380 -3.029 -4.656 253 2HB ARG 33 1HB ARG 33 -16.028 -3.391 -5.145 254 1HG ARG 33 2HG ARG 33 -14.693 -3.215 -7.106 255 2HG ARG 33 1HG ARG 33 -15.753 -1.809 -7.043 256 1HD ARG 33 2HD ARG 33 -13.290 -1.206 -5.686 257 2HD ARG 33 1HD ARG 33 -12.940 -1.840 -7.293 258 HE ARG 33 HE ARG 33 -14.071 0.698 -6.664 259 1HH1 ARG 33 1HH2 ARG 33 -14.065 -1.849 -9.036 260 2HH1 ARG 33 2HH2 ARG 33 -14.468 -0.800 -10.354 261 1HH2 ARG 33 2HH1 ARG 33 -14.600 2.092 -8.392 262 2HH2 ARG 33 1HH1 ARG 33 -14.770 1.442 -9.988 263 H SER 34 H SER 34 -18.215 -1.920 -4.104 264 HA SER 34 HA SER 34 -19.310 0.426 -5.229 265 1HB SER 34 2HB SER 34 -20.375 -0.978 -7.216 266 2HB SER 34 1HB SER 34 -18.814 -0.178 -7.403 267 HG SER 34 HG SER 34 -18.661 -2.315 -8.098 268 H GLY 35 H GLY 35 -21.780 -0.292 -5.987 269 1HA GLY 35 2HA GLY 35 -22.759 -2.353 -4.199 270 2HA GLY 35 1HA GLY 35 -23.256 -0.726 -3.796 271 H GLU 36 H GLU 36 -23.660 -3.432 -5.853 272 HA GLU 36 HA GLU 36 -25.365 -2.183 -7.782 273 1HB GLU 36 2HB GLU 36 -23.952 -4.340 -8.012 274 2HB GLU 36 1HB GLU 36 -25.303 -5.134 -7.216 275 1HG GLU 36 2HG GLU 36 -26.353 -5.308 -9.173 276 2HG GLU 36 1HG GLU 36 -26.376 -3.552 -9.311 277 H CYS 37 H CYS 37 -27.380 -4.143 -7.960 278 HA CYS 37 HA CYS 37 -28.938 -4.100 -5.521 279 1HB CYS 37 2HB CYS 37 -29.394 -2.230 -7.755 280 2HB CYS 37 1HB CYS 37 -30.829 -3.094 -7.240 281 H PHE 38 H PHE 38 -30.387 -5.879 -5.483 282 HA PHE 38 HA PHE 38 -31.018 -7.153 -8.040 283 1HB PHE 38 2HB PHE 38 -29.224 -8.389 -5.982 284 2HB PHE 38 1HB PHE 38 -30.200 -9.400 -7.043 285 HD1 PHE 38 HD2 PHE 38 -30.016 -8.809 -9.601 286 HD2 PHE 38 HD1 PHE 38 -27.109 -7.798 -6.662 287 HE1 PHE 38 HE2 PHE 38 -28.307 -8.616 -11.360 288 HE2 PHE 38 HE1 PHE 38 -25.397 -7.601 -8.416 289 HZ PHE 38 HZ PHE 38 -25.993 -8.012 -10.767 290 H TYR 39 H TYR 39 -32.466 -8.906 -7.980 291 HA TYR 39 HA TYR 39 -33.870 -9.724 -5.675 292 1HB TYR 39 2HB TYR 39 -35.627 -8.332 -5.536 293 2HB TYR 39 1HB TYR 39 -34.642 -7.273 -6.522 294 HD1 TYR 39 HD2 TYR 39 -34.827 -8.238 -9.181 295 HD2 TYR 39 HD1 TYR 39 -37.800 -8.073 -6.138 296 HE1 TYR 39 HE2 TYR 39 -36.583 -8.096 -10.903 297 HE2 TYR 39 HE1 TYR 39 -39.545 -7.913 -7.838 298 HH TYR 39 HH TYR 39 -39.505 -8.789 -10.623 299 H ASP 40 H ASP 40 -36.415 -10.142 -7.128 300 HA ASP 40 HA ASP 40 -36.156 -11.305 -9.614 301 1HB ASP 40 2HB ASP 40 -36.233 -13.795 -8.716 302 2HB ASP 40 1HB ASP 40 -34.700 -12.988 -9.032 303 H GLU 41 H GLU 41 -38.180 -10.571 -9.898 304 HA GLU 41 HA GLU 41 -40.414 -10.947 -10.174 305 1HB GLU 41 2HB GLU 41 -40.422 -12.827 -7.817 306 2HB GLU 41 1HB GLU 41 -41.624 -12.673 -9.081 307 1HG GLU 41 2HG GLU 41 -39.644 -13.338 -10.650 308 2HG GLU 41 1HG GLU 41 -38.965 -14.006 -9.167 309 H LYS 42 H LYS 42 -39.939 -11.276 -6.657 310 HA LYS 42 HA LYS 42 -40.954 -8.607 -6.207 311 1HB LYS 42 2HB LYS 42 -42.446 -11.116 -5.553 312 2HB LYS 42 1HB LYS 42 -42.540 -9.774 -4.423 313 1HG LYS 42 2HG LYS 42 -43.002 -8.841 -7.117 314 2HG LYS 42 1HG LYS 42 -44.086 -10.176 -6.738 315 1HD LYS 42 2HD LYS 42 -45.079 -8.010 -6.169 316 2HD LYS 42 1HD LYS 42 -44.846 -9.014 -4.736 317 1HE LYS 42 2HE LYS 42 -42.659 -7.144 -5.472 318 2HE LYS 42 1HE LYS 42 -44.138 -6.448 -4.810 319 1HZ LYS 42 2HZ LYS 42 -43.660 -8.494 -3.125 320 2HZ LYS 42 1HZ LYS 42 -42.088 -7.993 -3.500 321 3HZ LYS 42 3HZ LYS 42 -43.196 -6.891 -2.851 322 H ARG 43 H ARG 43 -38.458 -10.102 -5.839 323 HA ARG 43 HA ARG 43 -38.162 -10.806 -3.146 324 1HB ARG 43 2HB ARG 43 -36.436 -10.578 -5.450 325 2HB ARG 43 1HB ARG 43 -35.618 -10.015 -4.003 326 1HG ARG 43 2HG ARG 43 -36.833 -12.722 -4.483 327 2HG ARG 43 1HG ARG 43 -35.126 -12.325 -4.287 328 1HD ARG 43 2HD ARG 43 -36.116 -11.346 -1.971 329 2HD ARG 43 1HD ARG 43 -37.242 -12.673 -2.255 330 HE ARG 43 HE ARG 43 -34.378 -13.236 -2.389 331 1HH1 ARG 43 1HH2 ARG 43 -37.424 -13.502 -0.721 332 2HH1 ARG 43 2HH2 ARG 43 -36.886 -14.767 0.334 333 1HH2 ARG 43 2HH1 ARG 43 -33.655 -14.901 -0.996 334 2HH2 ARG 43 1HH1 ARG 43 -34.742 -15.557 0.181 335 H ASN 44 H ASN 44 -39.273 -8.102 -3.920 336 HA ASN 44 HA ASN 44 -39.371 -6.034 -3.008 337 1HB ASN 44 2HB ASN 44 -37.730 -7.363 -0.855 338 2HB ASN 44 1HB ASN 44 -38.301 -5.703 -0.740 339 1HD2 ASN 44 2HD2 ASN 44 -41.742 -6.651 -0.476 340 2HD2 ASN 44 1HD2 ASN 44 -40.716 -5.500 -1.257 341 H LEU 45 H LEU 45 -36.441 -7.418 -3.855 342 HA LEU 45 HA LEU 45 -34.496 -6.600 -4.651 343 1HB LEU 45 2HB LEU 45 -35.975 -5.531 -6.227 344 2HB LEU 45 1HB LEU 45 -36.377 -4.284 -5.079 345 HG LEU 45 HG LEU 45 -34.391 -3.116 -5.422 346 1HD1 LEU 45 1HD1 LEU 45 -33.297 -5.706 -6.293 347 2HD1 LEU 45 3HD1 LEU 45 -32.659 -4.283 -7.068 348 3HD1 LEU 45 2HD1 LEU 45 -32.565 -4.454 -5.321 349 1HD2 LEU 45 3HD2 LEU 45 -35.380 -4.308 -7.998 350 2HD2 LEU 45 2HD2 LEU 45 -35.790 -2.753 -7.276 351 3HD2 LEU 45 1HD2 LEU 45 -34.183 -3.021 -7.950 352 H GLN 46 H GLN 46 -32.631 -5.905 -3.853 353 HA GLN 46 HA GLN 46 -32.684 -3.800 -1.802 354 1HB GLN 46 2HB GLN 46 -31.616 -6.594 -1.420 355 2HB GLN 46 1HB GLN 46 -31.139 -5.252 -0.391 356 1HG GLN 46 2HG GLN 46 -32.833 -6.201 0.825 357 2HG GLN 46 1HG GLN 46 -33.695 -4.941 -0.055 358 1HE2 GLN 46 2HE2 GLN 46 -34.298 -8.882 -0.964 359 2HE2 GLN 46 1HE2 GLN 46 -32.864 -8.371 -0.144 360 H CYS 47 H CYS 47 -30.531 -3.110 -1.120 361 HA CYS 47 HA CYS 47 -28.836 -2.578 -3.388 362 1HB CYS 47 2HB CYS 47 -28.841 -1.741 -0.494 363 2HB CYS 47 1HB CYS 47 -27.543 -1.283 -1.568 364 H ILE 48 H ILE 48 -27.384 -4.103 -4.003 365 HA ILE 48 HA ILE 48 -26.137 -5.803 -1.985 366 HB ILE 48 HB ILE 48 -26.442 -5.978 -4.944 367 1HG1 ILE 48 2HG1 ILE 48 -27.254 -8.187 -4.433 368 2HG1 ILE 48 1HG1 ILE 48 -26.651 -8.083 -2.784 369 1HG2 ILE 48 3HG2 ILE 48 -24.235 -7.269 -3.366 370 2HG2 ILE 48 2HG2 ILE 48 -24.834 -7.943 -4.882 371 3HG2 ILE 48 1HG2 ILE 48 -24.115 -6.333 -4.856 372 1HD1 ILE 48 1HD1 ILE 48 -28.655 -6.093 -3.712 373 2HD1 ILE 48 3HD1 ILE 48 -29.178 -7.731 -3.315 374 3HD1 ILE 48 2HD1 ILE 48 -28.371 -6.743 -2.097 375 H CYS 49 H CYS 49 -24.148 -5.498 -1.220 376 HA CYS 49 HA CYS 49 -22.485 -3.376 -2.319 377 1HB CYS 49 2HB CYS 49 -22.251 -5.028 0.181 378 2HB CYS 49 1HB CYS 49 -21.039 -3.862 -0.321 379 H ASP 50 H ASP 50 -21.038 -3.759 -3.801 380 HA ASP 50 HA ASP 50 -19.958 -6.449 -4.159 381 1HB ASP 50 2HB ASP 50 -20.793 -5.364 -6.160 382 2HB ASP 50 1HB ASP 50 -19.783 -3.952 -5.861 383 H TYR 51 H TYR 51 -18.094 -6.997 -3.326 384 HA TYR 51 HA TYR 51 -16.257 -4.918 -2.387 385 1HB TYR 51 2HB TYR 51 -16.717 -7.791 -1.670 386 2HB TYR 51 1HB TYR 51 -15.199 -7.004 -1.246 387 HD1 TYR 51 HD1 TYR 51 -18.879 -6.737 -0.848 388 HD2 TYR 51 HD2 TYR 51 -15.057 -5.663 0.674 389 HE1 TYR 51 HE1 TYR 51 -19.949 -5.797 1.156 390 HE2 TYR 51 HE2 TYR 51 -16.114 -4.721 2.684 391 HH TYR 51 HH TYR 51 -18.017 -4.461 3.815 392 H CYS 52 H CYS 52 -16.565 -7.265 -4.869 393 HA CYS 52 HA CYS 52 -13.806 -6.719 -5.695 394 1HB CYS 52 2HB CYS 52 -14.900 -9.522 -5.804 395 2HB CYS 52 1HB CYS 52 -13.234 -8.988 -6.013 396 H GLU 53 H GLU 53 -15.684 -5.392 -6.903 397 HA GLU 53 HA GLU 53 -17.063 -5.175 -8.774 398 1HB GLU 53 2HB GLU 53 -14.907 -4.374 -9.462 399 2HB GLU 53 1HB GLU 53 -14.341 -6.006 -9.772 400 1HG GLU 53 2HG GLU 53 -16.707 -5.467 -11.326 401 2HG GLU 53 1HG GLU 53 -15.503 -4.215 -11.603 402 H TYR 54 HN TYR 54 -15.137 -7.602 -10.369 403 HA TYR 54 HA TYR 54 -17.433 -8.960 -11.332 404 1HB TYR 54 2HB TYR 54 -14.745 -8.833 -12.036 405 2HB TYR 54 1HB TYR 54 -14.951 -10.501 -11.513 406 HD1 TYR 54 HD2 TYR 54 -16.996 -8.057 -13.485 407 HD2 TYR 54 HD1 TYR 54 -15.289 -11.950 -13.271 408 HE1 TYR 54 HE2 TYR 54 -17.979 -8.603 -15.672 409 HE2 TYR 54 HE1 TYR 54 -16.270 -12.504 -15.457 410 HH TYR 54 HH TYR 54 -18.685 -10.767 -16.887 No H/Q in entry = 410 Start of MODEL 38 1 HN PCA 1 HN PCA 1 -14.318 -12.182 0.340 2 HA PCA 1 HA PCA 1 -12.708 -13.680 1.663 3 1HB PCA 1 1HB PCA 1 -13.368 -14.251 3.751 4 2HB PCA 1 2HB PCA 1 -14.835 -15.037 3.120 5 1HG PCA 1 1HG PCA 1 -14.536 -12.376 4.287 6 2HG PCA 1 2HG PCA 1 -16.026 -13.214 3.816 7 H ASP 2 H ASP 2 -15.783 -13.998 0.133 8 HA ASP 2 HA ASP 2 -14.826 -16.331 -1.316 9 1HB ASP 2 2HB ASP 2 -17.102 -17.442 -1.005 10 2HB ASP 2 1HB ASP 2 -16.013 -17.482 0.378 11 H LYS 3 H LYS 3 -18.129 -15.094 -1.056 12 HA LYS 3 HA LYS 3 -18.157 -14.618 -3.915 13 1HB LYS 3 2HB LYS 3 -20.074 -15.735 -2.945 14 2HB LYS 3 1HB LYS 3 -20.324 -14.407 -1.820 15 1HG LYS 3 2HG LYS 3 -21.073 -12.967 -3.510 16 2HG LYS 3 1HG LYS 3 -20.447 -14.003 -4.790 17 1HD LYS 3 2HD LYS 3 -22.419 -15.295 -3.019 18 2HD LYS 3 1HD LYS 3 -23.054 -13.949 -3.965 19 1HE LYS 3 2HE LYS 3 -23.386 -15.937 -5.231 20 2HE LYS 3 1HE LYS 3 -22.087 -15.030 -6.003 21 1HZ LYS 3 3HZ LYS 3 -20.661 -16.564 -4.404 22 2HZ LYS 3 2HZ LYS 3 -21.994 -17.585 -4.601 23 3HZ LYS 3 1HZ LYS 3 -21.124 -17.062 -5.954 24 H CYS 4 H CYS 4 -17.396 -12.779 -4.656 25 HA CYS 4 HA CYS 4 -16.769 -10.478 -3.342 26 1HB CYS 4 2HB CYS 4 -16.951 -11.328 -6.038 27 2HB CYS 4 1HB CYS 4 -17.752 -9.765 -5.958 28 H LYS 5 H LYS 5 -19.926 -11.464 -4.476 29 HA LYS 5 HA LYS 5 -21.089 -8.861 -3.927 30 1HB LYS 5 2HB LYS 5 -22.335 -11.427 -4.909 31 2HB LYS 5 1HB LYS 5 -23.172 -9.889 -4.769 32 1HG LYS 5 2HG LYS 5 -21.759 -8.905 -6.443 33 2HG LYS 5 1HG LYS 5 -20.760 -10.358 -6.508 34 1HD LYS 5 2HD LYS 5 -22.566 -11.639 -7.414 35 2HD LYS 5 1HD LYS 5 -23.701 -10.314 -7.154 36 1HE LYS 5 2HE LYS 5 -21.300 -9.869 -8.868 37 2HE LYS 5 1HE LYS 5 -22.677 -10.750 -9.526 38 1HZ LYS 5 2HZ LYS 5 -24.064 -8.810 -8.787 39 2HZ LYS 5 1HZ LYS 5 -22.622 -7.972 -8.505 40 3HZ LYS 5 3HZ LYS 5 -23.003 -8.498 -10.066 41 H LYS 6 H LYS 6 -22.265 -8.304 -2.216 42 HA LYS 6 HA LYS 6 -23.380 -10.328 -0.441 43 1HB LYS 6 2HB LYS 6 -21.477 -8.193 0.546 44 2HB LYS 6 1HB LYS 6 -22.443 -9.236 1.573 45 1HG LYS 6 2HG LYS 6 -20.599 -10.517 1.640 46 2HG LYS 6 1HG LYS 6 -21.142 -11.078 0.061 47 1HD LYS 6 2HD LYS 6 -19.668 -9.580 -1.067 48 2HD LYS 6 1HD LYS 6 -19.290 -8.727 0.432 49 1HE LYS 6 2HE LYS 6 -17.664 -10.555 -0.581 50 2HE LYS 6 1HE LYS 6 -17.861 -10.348 1.159 51 1HZ LYS 6 3HZ LYS 6 -19.724 -12.096 0.845 52 2HZ LYS 6 2HZ LYS 6 -18.904 -12.474 -0.584 53 3HZ LYS 6 1HZ LYS 6 -18.110 -12.603 0.903 54 H VAL 7 H VAL 7 -25.403 -9.747 0.007 55 HA VAL 7 HA VAL 7 -26.531 -7.315 -0.802 56 HB VAL 7 HB VAL 7 -28.558 -8.027 0.142 57 1HG1 VAL 7 2HG1 VAL 7 -27.710 -9.477 -1.662 58 2HG1 VAL 7 1HG1 VAL 7 -27.026 -10.556 -0.447 59 3HG1 VAL 7 3HG1 VAL 7 -28.773 -10.334 -0.546 60 1HG2 VAL 7 2HG2 VAL 7 -26.830 -9.473 2.104 61 2HG2 VAL 7 1HG2 VAL 7 -28.195 -8.392 2.392 62 3HG2 VAL 7 3HG2 VAL 7 -28.475 -10.033 1.808 63 H TYR 8 H TYR 8 -27.211 -5.496 0.303 64 HA TYR 8 HA TYR 8 -25.695 -4.890 2.705 65 1HB TYR 8 2HB TYR 8 -25.730 -3.226 0.929 66 2HB TYR 8 1HB TYR 8 -27.484 -3.179 0.970 67 HD1 TYR 8 HD1 TYR 8 -26.177 -3.377 4.300 68 HD2 TYR 8 HD2 TYR 8 -26.887 -0.673 1.086 69 HE1 TYR 8 HE1 TYR 8 -26.098 -1.501 5.866 70 HE2 TYR 8 HE2 TYR 8 -26.802 1.212 2.656 71 HH TYR 8 HH TYR 8 -25.914 1.750 4.836 72 H GLU 9 H GLU 9 -27.197 -6.707 3.585 73 HA GLU 9 HA GLU 9 -29.105 -7.373 4.709 74 1HB GLU 9 2HB GLU 9 -28.226 -4.906 6.208 75 2HB GLU 9 1HB GLU 9 -29.200 -6.209 6.871 76 1HG GLU 9 2HG GLU 9 -27.437 -7.654 7.007 77 2HG GLU 9 1HG GLU 9 -26.563 -6.881 5.684 78 H ASN 10 H ASN 10 -30.784 -5.782 6.344 79 HA ASN 10 HA ASN 10 -32.921 -5.298 4.634 80 1HB ASN 10 2HB ASN 10 -34.076 -4.432 6.548 81 2HB ASN 10 1HB ASN 10 -33.050 -5.758 7.089 82 1HD2 ASN 10 2HD2 ASN 10 -31.365 -3.845 9.400 83 2HD2 ASN 10 1HD2 ASN 10 -31.806 -5.395 8.779 84 H TYR 11 H TYR 11 -30.646 -3.770 3.674 85 HA TYR 11 HA TYR 11 -30.682 -1.076 4.242 86 1HB TYR 11 2HB TYR 11 -29.024 -1.650 2.741 87 2HB TYR 11 1HB TYR 11 -30.098 -2.642 1.764 88 HD1 TYR 11 HD1 TYR 11 -29.052 0.822 2.496 89 HD2 TYR 11 HD2 TYR 11 -31.317 -1.702 -0.071 90 HE1 TYR 11 HE1 TYR 11 -29.319 2.682 0.916 91 HE2 TYR 11 HE2 TYR 11 -31.586 0.154 -1.664 92 HH TYR 11 HH TYR 11 -29.919 3.218 -1.219 93 HA PRO 12 HA PRO 12 -34.772 0.583 3.459 94 1HB PRO 12 2HB PRO 12 -33.142 2.375 1.683 95 2HB PRO 12 1HB PRO 12 -34.484 2.790 2.758 96 1HG PRO 12 2HG PRO 12 -31.906 3.144 3.476 97 2HG PRO 12 1HG PRO 12 -33.173 2.729 4.643 98 1HD PRO 12 2HD PRO 12 -30.928 1.108 3.712 99 2HD PRO 12 1HD PRO 12 -32.017 0.820 5.080 100 H VAL 13 H VAL 13 -35.295 -1.379 2.299 101 HA VAL 13 HA VAL 13 -34.715 -1.957 -0.347 102 HB VAL 13 HB VAL 13 -37.306 -2.553 1.081 103 1HG1 VAL 13 3HG1 VAL 13 -35.948 -3.808 -1.292 104 2HG1 VAL 13 2HG1 VAL 13 -37.267 -4.573 -0.406 105 3HG1 VAL 13 1HG1 VAL 13 -37.533 -3.040 -1.234 106 1HG2 VAL 13 2HG2 VAL 13 -35.160 -3.179 2.286 107 2HG2 VAL 13 1HG2 VAL 13 -36.309 -4.484 1.987 108 3HG2 VAL 13 3HG2 VAL 13 -34.877 -4.319 0.970 109 H SER 14 H SER 14 -36.639 0.566 0.882 110 HA SER 14 HA SER 14 -38.570 0.822 -1.131 111 1HB SER 14 2HB SER 14 -38.662 3.232 -0.398 112 2HB SER 14 1HB SER 14 -38.846 2.055 0.902 113 HG SER 14 HG SER 14 -36.896 2.559 1.663 114 H LYS 15 H LYS 15 -36.377 3.501 -0.855 115 HA LYS 15 HA LYS 15 -36.302 3.906 -3.650 116 1HB LYS 15 2HB LYS 15 -34.600 5.127 -1.474 117 2HB LYS 15 1HB LYS 15 -34.679 5.699 -3.135 118 1HG LYS 15 2HG LYS 15 -37.302 5.723 -2.501 119 2HG LYS 15 1HG LYS 15 -36.594 6.044 -0.920 120 1HD LYS 15 2HD LYS 15 -36.931 8.167 -1.872 121 2HD LYS 15 1HD LYS 15 -35.209 7.845 -2.073 122 1HE LYS 15 2HE LYS 15 -37.074 7.080 -4.273 123 2HE LYS 15 1HE LYS 15 -36.669 8.781 -4.058 124 1HZ LYS 15 2HZ LYS 15 -34.319 7.233 -3.929 125 2HZ LYS 15 1HZ LYS 15 -35.168 6.827 -5.335 126 3HZ LYS 15 3HZ LYS 15 -34.736 8.437 -5.042 127 H CYS 16 H CYS 16 -34.534 3.918 -5.070 128 HA CYS 16 HA CYS 16 -31.986 2.906 -4.514 129 1HB CYS 16 2HB CYS 16 -33.927 0.862 -4.716 130 2HB CYS 16 1HB CYS 16 -32.989 0.791 -6.204 131 H GLN 17 H GLN 17 -34.252 2.374 -7.220 132 HA GLN 17 HA GLN 17 -34.160 2.981 -9.406 133 1HB GLN 17 2HB GLN 17 -32.580 5.387 -8.529 134 2HB GLN 17 1HB GLN 17 -33.701 5.250 -9.878 135 1HG GLN 17 2HG GLN 17 -34.571 4.964 -7.023 136 2HG GLN 17 1HG GLN 17 -34.503 6.522 -7.848 137 1HE2 GLN 17 2HE2 GLN 17 -37.312 5.936 -9.877 138 2HE2 GLN 17 1HE2 GLN 17 -35.844 6.830 -9.703 139 H LEU 18 H LEU 18 -31.977 1.396 -8.263 140 HA LEU 18 HA LEU 18 -29.794 0.751 -8.705 141 1HB LEU 18 2HB LEU 18 -31.064 1.124 -11.409 142 2HB LEU 18 1HB LEU 18 -29.532 0.311 -11.179 143 HG LEU 18 HG LEU 18 -32.048 -0.617 -9.807 144 1HD1 LEU 18 2HD1 LEU 18 -31.127 -1.099 -12.606 145 2HD1 LEU 18 1HD1 LEU 18 -32.003 -2.356 -11.732 146 3HD1 LEU 18 3HD1 LEU 18 -32.751 -0.780 -11.995 147 1HD2 LEU 18 3HD2 LEU 18 -29.293 -1.657 -10.161 148 2HD2 LEU 18 2HD2 LEU 18 -30.396 -1.805 -8.798 149 3HD2 LEU 18 1HD2 LEU 18 -30.609 -2.825 -10.220 150 H ALA 19 H ALA 19 -28.884 2.816 -7.872 151 HA ALA 19 HA ALA 19 -26.915 3.847 -9.580 152 1HB ALA 19 2HB ALA 19 -28.854 5.009 -10.626 153 2HB ALA 19 1HB ALA 19 -29.144 5.821 -9.091 154 3HB ALA 19 3HB ALA 19 -27.645 6.108 -9.973 155 H ASN 20 H ASN 20 -27.037 6.555 -8.394 156 HA ASN 20 HA ASN 20 -25.259 6.723 -6.547 157 1HB ASN 20 2HB ASN 20 -26.543 8.676 -7.073 158 2HB ASN 20 1HB ASN 20 -27.977 8.013 -6.296 159 1HD2 ASN 20 2HD2 ASN 20 -24.980 8.857 -3.672 160 2HD2 ASN 20 1HD2 ASN 20 -24.710 7.843 -5.045 161 H GLN 21 H GLN 21 -27.929 7.232 -4.555 162 HA GLN 21 HA GLN 21 -27.547 6.415 -2.237 163 1HB GLN 21 2HB GLN 21 -29.711 4.725 -3.429 164 2HB GLN 21 1HB GLN 21 -29.690 5.587 -1.898 165 1HG GLN 21 2HG GLN 21 -30.148 6.663 -4.652 166 2HG GLN 21 1HG GLN 21 -31.177 6.785 -3.226 167 1HE2 GLN 21 2HE2 GLN 21 -28.636 9.148 -1.797 168 2HE2 GLN 21 1HE2 GLN 21 -29.089 7.524 -1.420 169 H CYS 22 H CYS 22 -28.486 3.598 -4.182 170 HA CYS 22 HA CYS 22 -27.378 1.687 -2.488 171 1HB CYS 22 2HB CYS 22 -29.039 1.404 -4.440 172 2HB CYS 22 1HB CYS 22 -27.611 1.292 -5.462 173 H ASN 23 H ASN 23 -26.105 2.462 -5.727 174 HA ASN 23 HA ASN 23 -23.680 1.207 -5.514 175 1HB ASN 23 2HB ASN 23 -24.819 2.613 -7.469 176 2HB ASN 23 1HB ASN 23 -23.726 3.865 -6.882 177 1HD2 ASN 23 2HD2 ASN 23 -21.814 2.251 -9.465 178 2HD2 ASN 23 1HD2 ASN 23 -23.126 3.358 -9.268 179 H TYR 24 H TYR 24 -24.212 4.688 -4.912 180 HA TYR 24 HA TYR 24 -21.709 5.302 -3.924 181 1HB TYR 24 2HB TYR 24 -22.997 7.185 -4.242 182 2HB TYR 24 1HB TYR 24 -24.436 6.449 -3.544 183 HD1 TYR 24 HD2 TYR 24 -21.191 8.028 -2.728 184 HD2 TYR 24 HD1 TYR 24 -24.963 6.725 -1.256 185 HE1 TYR 24 HE2 TYR 24 -20.763 9.203 -0.610 186 HE2 TYR 24 HE1 TYR 24 -24.544 7.891 0.865 187 HH TYR 24 HH TYR 24 -21.999 10.133 1.262 188 H ASP 25 H ASP 25 -24.565 4.191 -2.107 189 HA ASP 25 HA ASP 25 -23.527 4.249 0.446 190 1HB ASP 25 2HB ASP 25 -25.532 2.442 -0.873 191 2HB ASP 25 1HB ASP 25 -25.036 2.146 0.788 192 H CYS 26 H CYS 26 -23.521 1.365 -1.690 193 HA CYS 26 HA CYS 26 -21.886 -0.193 -0.076 194 1HB CYS 26 2HB CYS 26 -21.923 -0.131 -3.106 195 2HB CYS 26 1HB CYS 26 -21.279 -1.436 -2.117 196 H LYS 27 H LYS 27 -20.948 1.890 -2.781 197 HA LYS 27 HA LYS 27 -18.184 1.608 -2.521 198 1HB LYS 27 2HB LYS 27 -19.983 3.017 -4.172 199 2HB LYS 27 1HB LYS 27 -18.864 4.218 -3.549 200 1HG LYS 27 2HG LYS 27 -16.984 2.949 -4.388 201 2HG LYS 27 1HG LYS 27 -18.065 1.665 -4.931 202 1HD LYS 27 2HD LYS 27 -19.037 4.085 -6.056 203 2HD LYS 27 1HD LYS 27 -17.292 4.080 -6.300 204 1HE LYS 27 2HE LYS 27 -19.034 1.728 -6.994 205 2HE LYS 27 1HE LYS 27 -18.706 3.039 -8.126 206 1HZ LYS 27 2HZ LYS 27 -16.271 2.547 -7.643 207 2HZ LYS 27 1HZ LYS 27 -16.809 1.089 -6.976 208 3HZ LYS 27 3HZ LYS 27 -17.110 1.435 -8.603 209 H LEU 28 H LEU 28 -19.856 2.564 0.007 210 HA LEU 28 HA LEU 28 -17.679 4.111 1.055 211 1HB LEU 28 2HB LEU 28 -18.806 5.852 -0.203 212 2HB LEU 28 1HB LEU 28 -20.322 5.484 0.595 213 HG LEU 28 HG LEU 28 -19.186 7.531 1.449 214 1HD1 LEU 28 1HD1 LEU 28 -20.645 5.753 2.825 215 2HD1 LEU 28 3HD1 LEU 28 -19.156 5.700 3.770 216 3HD1 LEU 28 2HD1 LEU 28 -19.998 7.229 3.534 217 1HD2 LEU 28 2HD2 LEU 28 -16.879 6.380 1.208 218 2HD2 LEU 28 1HD2 LEU 28 -17.154 7.491 2.549 219 3HD2 LEU 28 3HD2 LEU 28 -17.215 5.749 2.819 220 H ASP 29 H ASP 29 -21.152 3.492 1.596 221 HA ASP 29 HA ASP 29 -20.967 3.621 4.410 222 1HB ASP 29 2HB ASP 29 -23.009 3.142 2.439 223 2HB ASP 29 1HB ASP 29 -23.165 1.947 3.719 224 H LYS 30 H LYS 30 -19.987 1.217 2.214 225 HA LYS 30 HA LYS 30 -19.560 -0.651 4.446 226 1HB LYS 30 2HB LYS 30 -21.292 -1.063 2.204 227 2HB LYS 30 1HB LYS 30 -19.948 -2.186 2.068 228 1HG LYS 30 2HG LYS 30 -21.555 -3.355 3.274 229 2HG LYS 30 1HG LYS 30 -20.433 -2.779 4.507 230 1HD LYS 30 2HD LYS 30 -21.938 -0.936 5.029 231 2HD LYS 30 1HD LYS 30 -23.045 -1.465 3.760 232 1HE LYS 30 2HE LYS 30 -24.018 -2.407 5.619 233 2HE LYS 30 1HE LYS 30 -22.989 -3.727 5.066 234 1HZ LYS 30 3HZ LYS 30 -21.276 -2.786 6.658 235 2HZ LYS 30 2HZ LYS 30 -22.534 -1.878 7.329 236 3HZ LYS 30 1HZ LYS 30 -22.608 -3.568 7.351 237 H HIS 31 H HIS 31 -18.013 1.317 2.579 238 HA HIS 31 HA HIS 31 -15.999 1.416 1.502 239 1HB HIS 31 2HB HIS 31 -15.068 -0.831 3.257 240 2HB HIS 31 1HB HIS 31 -14.215 0.632 2.777 241 HD1 HIS 31 HD1 HIS 31 -15.658 -0.801 5.642 242 HD2 HIS 31 HD2 HIS 31 -15.715 3.016 4.001 243 HE1 HIS 31 HE1 HIS 31 -16.305 0.732 7.528 244 HE2 HIS 31 HE2 HIS 31 -16.424 3.024 6.487 245 H ALA 32 H ALA 32 -17.875 -0.294 0.223 246 HA ALA 32 HA ALA 32 -16.418 -2.652 -0.631 247 1HB ALA 32 1HB ALA 32 -18.989 -2.393 -0.293 248 2HB ALA 32 3HB ALA 32 -18.947 -1.721 -1.923 249 3HB ALA 32 2HB ALA 32 -18.374 -3.363 -1.631 250 H ARG 33 H ARG 33 -16.904 -2.910 -3.259 251 HA ARG 33 HA ARG 33 -15.227 -0.811 -4.417 252 1HB ARG 33 2HB ARG 33 -14.861 -3.413 -4.609 253 2HB ARG 33 1HB ARG 33 -16.034 -3.274 -5.912 254 1HG ARG 33 2HG ARG 33 -14.241 -1.226 -6.437 255 2HG ARG 33 1HG ARG 33 -13.214 -2.535 -5.858 256 1HD ARG 33 2HD ARG 33 -14.397 -4.033 -7.506 257 2HD ARG 33 1HD ARG 33 -15.142 -2.579 -8.171 258 HE ARG 33 HE ARG 33 -12.412 -3.445 -8.502 259 1HH1 ARG 33 1HH2 ARG 33 -14.616 -0.752 -8.608 260 2HH1 ARG 33 2HH2 ARG 33 -13.645 0.167 -9.709 261 1HH2 ARG 33 2HH1 ARG 33 -11.127 -2.244 -9.958 262 2HH2 ARG 33 1HH1 ARG 33 -11.664 -0.682 -10.481 263 H SER 34 H SER 34 -18.282 -2.515 -5.031 264 HA SER 34 HA SER 34 -19.610 -0.234 -5.980 265 1HB SER 34 2HB SER 34 -19.810 -0.870 -8.404 266 2HB SER 34 1HB SER 34 -18.201 -0.322 -7.935 267 HG SER 34 HG SER 34 -18.662 -2.470 -9.196 268 H GLY 35 H GLY 35 -21.807 -0.688 -6.643 269 1HA GLY 35 2HA GLY 35 -22.691 -3.439 -6.667 270 2HA GLY 35 1HA GLY 35 -23.130 -2.565 -5.210 271 H GLU 36 H GLU 36 -25.306 -3.141 -5.956 272 HA GLU 36 HA GLU 36 -26.642 -0.924 -7.026 273 1HB GLU 36 2HB GLU 36 -25.563 -2.663 -9.010 274 2HB GLU 36 1HB GLU 36 -27.309 -2.869 -9.034 275 1HG GLU 36 2HG GLU 36 -27.522 -0.391 -9.219 276 2HG GLU 36 1HG GLU 36 -25.769 -0.311 -9.392 277 H CYS 37 H CYS 37 -29.016 -1.611 -7.653 278 HA CYS 37 HA CYS 37 -29.923 -3.276 -5.463 279 1HB CYS 37 2HB CYS 37 -30.920 -0.973 -6.733 280 2HB CYS 37 1HB CYS 37 -32.090 -2.247 -7.060 281 H PHE 38 H PHE 38 -31.338 -5.010 -5.639 282 HA PHE 38 HA PHE 38 -31.896 -6.135 -8.258 283 1HB PHE 38 2HB PHE 38 -30.018 -7.377 -6.276 284 2HB PHE 38 1HB PHE 38 -31.019 -8.412 -7.287 285 HD1 PHE 38 HD1 PHE 38 -28.513 -5.686 -7.428 286 HD2 PHE 38 HD2 PHE 38 -30.393 -8.909 -9.473 287 HE1 PHE 38 HE1 PHE 38 -26.887 -5.466 -9.259 288 HE2 PHE 38 HE2 PHE 38 -28.769 -8.698 -11.308 289 HZ PHE 38 HZ PHE 38 -27.012 -6.973 -11.203 290 H TYR 39 H TYR 39 -33.633 -7.557 -8.255 291 HA TYR 39 HA TYR 39 -35.432 -7.240 -6.068 292 1HB TYR 39 2HB TYR 39 -35.537 -8.525 -8.749 293 2HB TYR 39 1HB TYR 39 -36.740 -9.009 -7.553 294 HD1 TYR 39 HD1 TYR 39 -38.263 -7.320 -6.592 295 HD2 TYR 39 HD2 TYR 39 -35.639 -6.384 -9.800 296 HE1 TYR 39 HE1 TYR 39 -39.581 -5.297 -7.065 297 HE2 TYR 39 HE2 TYR 39 -36.948 -4.360 -10.291 298 HH TYR 39 HH TYR 39 -38.840 -3.237 -9.847 299 H ASP 40 H ASP 40 -35.506 -10.391 -7.438 300 HA ASP 40 HA ASP 40 -35.487 -12.446 -6.416 301 1HB ASP 40 2HB ASP 40 -33.308 -12.843 -5.085 302 2HB ASP 40 1HB ASP 40 -33.179 -12.466 -6.799 303 H GLU 41 H GLU 41 -34.589 -13.370 -4.056 304 HA GLU 41 HA GLU 41 -35.755 -13.881 -2.151 305 1HB GLU 41 2HB GLU 41 -33.639 -12.427 -1.727 306 2HB GLU 41 1HB GLU 41 -34.794 -11.191 -1.253 307 1HG GLU 41 2HG GLU 41 -34.780 -12.081 0.795 308 2HG GLU 41 1HG GLU 41 -35.613 -13.477 0.120 309 H LYS 42 H LYS 42 -37.855 -13.410 -3.418 310 HA LYS 42 HA LYS 42 -40.039 -12.817 -3.221 311 1HB LYS 42 2HB LYS 42 -39.345 -12.975 -0.715 312 2HB LYS 42 1HB LYS 42 -39.456 -11.220 -0.763 313 1HG LYS 42 2HG LYS 42 -41.796 -11.637 -1.782 314 2HG LYS 42 1HG LYS 42 -41.610 -13.259 -1.109 315 1HD LYS 42 2HD LYS 42 -42.660 -12.148 0.618 316 2HD LYS 42 1HD LYS 42 -40.960 -11.988 1.062 317 1HE LYS 42 2HE LYS 42 -41.189 -9.775 -0.392 318 2HE LYS 42 1HE LYS 42 -42.876 -9.936 0.095 319 1HZ LYS 42 1HZ LYS 42 -40.569 -9.893 1.964 320 2HZ LYS 42 3HZ LYS 42 -41.571 -8.570 1.634 321 3HZ LYS 42 2HZ LYS 42 -42.204 -9.942 2.392 322 H ARG 43 H ARG 43 -39.165 -11.442 -5.105 323 HA ARG 43 HA ARG 43 -38.877 -9.425 -6.155 324 1HB ARG 43 2HB ARG 43 -41.496 -8.708 -4.903 325 2HB ARG 43 1HB ARG 43 -40.963 -8.500 -6.564 326 1HG ARG 43 2HG ARG 43 -41.810 -11.049 -5.220 327 2HG ARG 43 1HG ARG 43 -42.623 -10.195 -6.534 328 1HD ARG 43 2HD ARG 43 -40.574 -10.594 -7.927 329 2HD ARG 43 1HD ARG 43 -39.976 -11.631 -6.635 330 HE ARG 43 HE ARG 43 -41.709 -13.163 -7.098 331 1HH1 ARG 43 1HH2 ARG 43 -41.624 -10.478 -9.316 332 2HH1 ARG 43 2HH2 ARG 43 -42.585 -11.272 -10.515 333 1HH2 ARG 43 2HH1 ARG 43 -42.974 -14.220 -8.676 334 2HH2 ARG 43 1HH1 ARG 43 -43.352 -13.398 -10.153 335 H ASN 44 H ASN 44 -37.637 -9.347 -3.538 336 HA ASN 44 HA ASN 44 -38.273 -6.644 -2.591 337 1HB ASN 44 2HB ASN 44 -36.878 -8.992 -1.424 338 2HB ASN 44 1HB ASN 44 -36.289 -7.409 -0.936 339 1HD2 ASN 44 2HD2 ASN 44 -38.731 -8.105 1.581 340 2HD2 ASN 44 1HD2 ASN 44 -37.105 -8.480 1.133 341 H LEU 45 H LEU 45 -37.040 -4.924 -3.060 342 HA LEU 45 HA LEU 45 -34.809 -5.296 -4.860 343 1HB LEU 45 2HB LEU 45 -36.262 -2.886 -3.807 344 2HB LEU 45 1HB LEU 45 -34.789 -2.731 -4.744 345 HG LEU 45 HG LEU 45 -36.505 -4.462 -6.205 346 1HD1 LEU 45 3HD1 LEU 45 -38.332 -3.509 -4.817 347 2HD1 LEU 45 2HD1 LEU 45 -37.924 -1.915 -5.451 348 3HD1 LEU 45 1HD1 LEU 45 -38.494 -3.178 -6.542 349 1HD2 LEU 45 2HD2 LEU 45 -34.781 -2.884 -7.068 350 2HD2 LEU 45 1HD2 LEU 45 -36.322 -2.808 -7.921 351 3HD2 LEU 45 3HD2 LEU 45 -35.901 -1.561 -6.747 352 H GLN 46 H GLN 46 -33.288 -6.286 -3.519 353 HA GLN 46 HA GLN 46 -32.304 -4.830 -1.195 354 1HB GLN 46 2HB GLN 46 -31.347 -7.435 -2.397 355 2HB GLN 46 1HB GLN 46 -30.841 -6.764 -0.853 356 1HG GLN 46 2HG GLN 46 -32.913 -7.172 0.139 357 2HG GLN 46 1HG GLN 46 -33.714 -7.387 -1.418 358 1HE2 GLN 46 2HE2 GLN 46 -32.597 -10.721 -1.867 359 2HE2 GLN 46 1HE2 GLN 46 -32.996 -9.264 -2.706 360 H CYS 47 H CYS 47 -30.013 -4.344 -0.957 361 HA CYS 47 HA CYS 47 -28.881 -3.375 -3.480 362 1HB CYS 47 2HB CYS 47 -28.847 -2.452 -0.687 363 2HB CYS 47 1HB CYS 47 -27.322 -2.257 -1.545 364 H ILE 48 H ILE 48 -27.527 -4.749 -4.420 365 HA ILE 48 HA ILE 48 -25.900 -6.564 -2.850 366 HB ILE 48 HB ILE 48 -26.199 -6.196 -5.830 367 1HG1 ILE 48 2HG1 ILE 48 -27.065 -8.350 -3.886 368 2HG1 ILE 48 1HG1 ILE 48 -28.107 -7.267 -4.800 369 1HG2 ILE 48 1HG2 ILE 48 -24.385 -8.027 -4.275 370 2HG2 ILE 48 3HG2 ILE 48 -24.823 -8.317 -5.957 371 3HG2 ILE 48 2HG2 ILE 48 -23.942 -6.857 -5.518 372 1HD1 ILE 48 1HD1 ILE 48 -26.573 -8.595 -6.713 373 2HD1 ILE 48 3HD1 ILE 48 -27.029 -9.823 -5.531 374 3HD1 ILE 48 2HD1 ILE 48 -28.274 -8.857 -6.325 375 H CYS 49 H CYS 49 -24.104 -5.801 -1.957 376 HA CYS 49 HA CYS 49 -22.549 -3.723 -3.325 377 1HB CYS 49 2HB CYS 49 -22.327 -4.842 -0.522 378 2HB CYS 49 1HB CYS 49 -21.338 -3.538 -1.168 379 H ASP 50 H ASP 50 -20.807 -4.278 -4.488 380 HA ASP 50 HA ASP 50 -19.642 -6.942 -4.091 381 1HB ASP 50 2HB ASP 50 -19.533 -7.067 -6.330 382 2HB ASP 50 1HB ASP 50 -20.294 -5.489 -6.439 383 H TYR 51 H TYR 51 -17.675 -7.303 -3.470 384 HA TYR 51 HA TYR 51 -15.921 -5.013 -2.848 385 1HB TYR 51 2HB TYR 51 -16.207 -7.635 -1.385 386 2HB TYR 51 1HB TYR 51 -15.166 -6.297 -0.904 387 HD1 TYR 51 HD2 TYR 51 -18.744 -7.099 -1.576 388 HD2 TYR 51 HD1 TYR 51 -15.969 -4.798 0.681 389 HE1 TYR 51 HE2 TYR 51 -20.585 -6.233 -0.208 390 HE2 TYR 51 HE1 TYR 51 -17.808 -3.927 2.059 391 HH TYR 51 HH TYR 51 -21.037 -5.201 1.829 392 H CYS 52 H CYS 52 -15.238 -5.687 -5.209 393 HA CYS 52 HA CYS 52 -13.404 -7.979 -5.147 394 1HB CYS 52 2HB CYS 52 -14.390 -6.323 -7.472 395 2HB CYS 52 1HB CYS 52 -13.311 -7.709 -7.599 396 H GLU 53 H GLU 53 -12.851 -5.396 -3.830 397 HA GLU 53 HA GLU 53 -10.773 -4.155 -5.406 398 1HB GLU 53 2HB GLU 53 -10.568 -2.592 -3.679 399 2HB GLU 53 1HB GLU 53 -12.276 -3.002 -3.664 400 1HG GLU 53 2HG GLU 53 -11.608 -4.728 -1.866 401 2HG GLU 53 1HG GLU 53 -10.135 -3.770 -1.727 402 H TYR 54 HN TYR 54 -8.898 -5.127 -5.691 403 HA TYR 54 HA TYR 54 -7.854 -7.325 -4.589 404 1HB TYR 54 2HB TYR 54 -6.545 -6.481 -6.288 405 2HB TYR 54 1HB TYR 54 -6.580 -4.842 -5.646 406 HD1 TYR 54 HD2 TYR 54 -5.302 -4.465 -3.429 407 HD2 TYR 54 HD1 TYR 54 -4.641 -7.771 -6.013 408 HE1 TYR 54 HE2 TYR 54 -3.076 -4.796 -2.424 409 HE2 TYR 54 HE1 TYR 54 -2.416 -8.117 -5.022 410 HH TYR 54 HH TYR 54 -0.728 -6.098 -3.539 No H/Q in entry = 410 Start of MODEL 39 1 HN PCA 1 HN PCA 1 -11.406 -17.414 -5.482 2 HA PCA 1 HA PCA 1 -10.609 -15.171 -4.588 3 1HB PCA 1 1HB PCA 1 -10.989 -13.409 -5.956 4 2HB PCA 1 2HB PCA 1 -12.742 -13.575 -5.700 5 1HG PCA 1 1HG PCA 1 -11.187 -14.352 -8.013 6 2HG PCA 1 2HG PCA 1 -12.934 -14.524 -7.767 7 H ASP 2 H ASP 2 -11.488 -14.345 -2.699 8 HA ASP 2 HA ASP 2 -13.427 -15.840 -1.390 9 1HB ASP 2 2HB ASP 2 -11.629 -14.128 -0.506 10 2HB ASP 2 1HB ASP 2 -12.972 -12.992 -0.592 11 H LYS 3 H LYS 3 -14.953 -13.641 -0.189 12 HA LYS 3 HA LYS 3 -17.265 -13.787 -1.797 13 1HB LYS 3 2HB LYS 3 -16.505 -12.177 0.620 14 2HB LYS 3 1HB LYS 3 -18.033 -11.889 -0.198 15 1HG LYS 3 2HG LYS 3 -18.603 -14.277 0.135 16 2HG LYS 3 1HG LYS 3 -17.120 -14.457 1.076 17 1HD LYS 3 2HD LYS 3 -17.895 -12.861 2.700 18 2HD LYS 3 1HD LYS 3 -19.311 -12.485 1.715 19 1HE LYS 3 2HE LYS 3 -20.077 -14.814 1.983 20 2HE LYS 3 1HE LYS 3 -18.695 -15.127 3.031 21 1HZ LYS 3 2HZ LYS 3 -19.725 -13.020 4.250 22 2HZ LYS 3 1HZ LYS 3 -21.143 -13.648 3.576 23 3HZ LYS 3 3HZ LYS 3 -20.201 -14.602 4.608 24 H CYS 4 H CYS 4 -18.309 -12.243 -3.043 25 HA CYS 4 HA CYS 4 -16.720 -9.872 -3.793 26 1HB CYS 4 2HB CYS 4 -17.559 -12.067 -5.452 27 2HB CYS 4 1HB CYS 4 -18.351 -10.597 -6.004 28 H LYS 5 H LYS 5 -19.997 -11.288 -3.927 29 HA LYS 5 HA LYS 5 -21.127 -8.587 -3.781 30 1HB LYS 5 2HB LYS 5 -23.243 -10.422 -3.977 31 2HB LYS 5 1HB LYS 5 -22.566 -9.449 -5.278 32 1HG LYS 5 2HG LYS 5 -22.672 -11.773 -5.924 33 2HG LYS 5 1HG LYS 5 -20.994 -11.236 -5.808 34 1HD LYS 5 2HD LYS 5 -20.607 -12.990 -4.465 35 2HD LYS 5 1HD LYS 5 -21.616 -12.206 -3.253 36 1HE LYS 5 2HE LYS 5 -22.499 -14.371 -3.509 37 2HE LYS 5 1HE LYS 5 -23.596 -13.310 -4.391 38 1HZ LYS 5 1HZ LYS 5 -22.000 -13.951 -6.361 39 2HZ LYS 5 3HZ LYS 5 -21.736 -15.326 -5.409 40 3HZ LYS 5 2HZ LYS 5 -23.300 -14.940 -5.924 41 H LYS 6 H LYS 6 -22.535 -7.940 -2.180 42 HA LYS 6 HA LYS 6 -23.223 -9.711 -0.005 43 1HB LYS 6 2HB LYS 6 -20.913 -8.005 0.155 44 2HB LYS 6 1HB LYS 6 -22.100 -7.477 1.339 45 1HG LYS 6 2HG LYS 6 -22.206 -9.807 2.185 46 2HG LYS 6 1HG LYS 6 -20.905 -10.226 1.070 47 1HD LYS 6 2HD LYS 6 -19.894 -9.806 3.180 48 2HD LYS 6 1HD LYS 6 -19.532 -8.419 2.151 49 1HE LYS 6 2HE LYS 6 -20.959 -7.021 3.305 50 2HE LYS 6 1HE LYS 6 -21.945 -8.352 3.908 51 1HZ LYS 6 3HZ LYS 6 -19.316 -8.611 4.890 52 2HZ LYS 6 2HZ LYS 6 -19.869 -7.048 5.218 53 3HZ LYS 6 1HZ LYS 6 -20.751 -8.385 5.756 54 H VAL 7 H VAL 7 -25.331 -9.307 0.152 55 HA VAL 7 HA VAL 7 -26.596 -6.942 -0.657 56 HB VAL 7 HB VAL 7 -28.586 -7.884 -0.034 57 1HG1 VAL 7 1HG1 VAL 7 -27.036 -9.457 -1.375 58 2HG1 VAL 7 3HG1 VAL 7 -27.021 -10.426 0.099 59 3HG1 VAL 7 2HG1 VAL 7 -28.547 -10.090 -0.721 60 1HG2 VAL 7 1HG2 VAL 7 -27.128 -9.093 2.305 61 2HG2 VAL 7 3HG2 VAL 7 -28.435 -7.907 2.320 62 3HG2 VAL 7 2HG2 VAL 7 -28.764 -9.577 1.856 63 H TYR 8 H TYR 8 -27.213 -5.115 0.350 64 HA TYR 8 HA TYR 8 -25.863 -4.313 2.698 65 1HB TYR 8 2HB TYR 8 -26.783 -2.843 0.812 66 2HB TYR 8 1HB TYR 8 -28.343 -3.003 1.590 67 HD1 TYR 8 HD1 TYR 8 -27.112 -2.854 4.520 68 HD2 TYR 8 HD2 TYR 8 -26.695 -0.476 1.010 69 HE1 TYR 8 HE1 TYR 8 -26.552 -0.927 5.903 70 HE2 TYR 8 HE2 TYR 8 -26.138 1.468 2.401 71 HH TYR 8 HH TYR 8 -25.099 1.387 5.348 72 H GLU 9 H GLU 9 -26.610 -6.361 3.810 73 HA GLU 9 HA GLU 9 -28.261 -7.532 5.038 74 1HB GLU 9 2HB GLU 9 -27.495 -5.095 6.636 75 2HB GLU 9 1HB GLU 9 -28.102 -6.607 7.300 76 1HG GLU 9 2HG GLU 9 -25.741 -6.560 7.578 77 2HG GLU 9 1HG GLU 9 -26.123 -7.754 6.337 78 H ASN 10 H ASN 10 -29.278 -5.043 6.932 79 HA ASN 10 HA ASN 10 -31.976 -5.420 6.626 80 1HB ASN 10 2HB ASN 10 -30.607 -2.851 7.442 81 2HB ASN 10 1HB ASN 10 -32.278 -3.284 7.787 82 1HD2 ASN 10 2HD2 ASN 10 -30.114 -6.085 9.592 83 2HD2 ASN 10 1HD2 ASN 10 -30.399 -6.011 7.890 84 H TYR 11 H TYR 11 -30.431 -2.401 5.574 85 HA TYR 11 HA TYR 11 -31.612 -0.837 4.213 86 1HB TYR 11 2HB TYR 11 -29.392 -1.986 3.327 87 2HB TYR 11 1HB TYR 11 -30.479 -2.517 2.045 88 HD1 TYR 11 HD2 TYR 11 -28.885 0.370 3.641 89 HD2 TYR 11 HD1 TYR 11 -31.445 -0.914 0.496 90 HE1 TYR 11 HE2 TYR 11 -28.669 2.575 2.574 91 HE2 TYR 11 HE1 TYR 11 -31.238 1.288 -0.581 92 HH TYR 11 HH TYR 11 -29.144 3.267 -0.339 93 HA PRO 12 HA PRO 12 -35.452 -3.308 3.326 94 1HB PRO 12 2HB PRO 12 -36.321 -0.459 3.396 95 2HB PRO 12 1HB PRO 12 -37.132 -1.891 4.041 96 1HG PRO 12 2HG PRO 12 -35.828 -0.244 5.667 97 2HG PRO 12 1HG PRO 12 -35.744 -1.998 5.904 98 1HD PRO 12 2HD PRO 12 -33.702 -0.133 4.806 99 2HD PRO 12 1HD PRO 12 -33.482 -1.621 5.749 100 H VAL 13 H VAL 13 -34.732 -0.161 1.975 101 HA VAL 13 HA VAL 13 -34.226 -0.885 -0.624 102 HB VAL 13 HB VAL 13 -37.047 -1.116 -0.024 103 1HG1 VAL 13 3HG1 VAL 13 -36.372 0.876 -2.189 104 2HG1 VAL 13 2HG1 VAL 13 -37.945 0.108 -1.978 105 3HG1 VAL 13 1HG1 VAL 13 -37.315 1.179 -0.728 106 1HG2 VAL 13 2HG2 VAL 13 -35.499 -2.612 -1.394 107 2HG2 VAL 13 1HG2 VAL 13 -37.128 -2.343 -2.014 108 3HG2 VAL 13 3HG2 VAL 13 -35.765 -1.470 -2.712 109 H SER 14 H SER 14 -36.165 1.484 1.167 110 HA SER 14 HA SER 14 -36.384 3.774 0.704 111 1HB SER 14 2HB SER 14 -34.211 4.834 1.607 112 2HB SER 14 1HB SER 14 -35.115 3.760 2.674 113 HG SER 14 HG SER 14 -33.657 2.078 1.991 114 H LYS 15 H LYS 15 -36.228 2.971 -1.764 115 HA LYS 15 HA LYS 15 -35.877 4.062 -3.774 116 1HB LYS 15 2HB LYS 15 -34.784 5.931 -2.301 117 2HB LYS 15 1HB LYS 15 -33.274 5.211 -2.845 118 1HG LYS 15 2HG LYS 15 -33.740 6.990 -4.317 119 2HG LYS 15 1HG LYS 15 -34.104 5.505 -5.197 120 1HD LYS 15 2HD LYS 15 -36.410 5.839 -5.045 121 2HD LYS 15 1HD LYS 15 -36.250 6.978 -3.707 122 1HE LYS 15 2HE LYS 15 -35.338 8.649 -5.175 123 2HE LYS 15 1HE LYS 15 -35.285 7.503 -6.514 124 1HZ LYS 15 3HZ LYS 15 -37.869 7.997 -5.228 125 2HZ LYS 15 2HZ LYS 15 -37.251 9.200 -6.244 126 3HZ LYS 15 1HZ LYS 15 -37.517 7.643 -6.846 127 H CYS 16 H CYS 16 -34.902 3.278 -5.583 128 HA CYS 16 HA CYS 16 -32.345 2.109 -5.689 129 1HB CYS 16 2HB CYS 16 -34.541 0.360 -4.818 130 2HB CYS 16 1HB CYS 16 -33.622 -0.279 -6.176 131 H GLN 17 H GLN 17 -34.454 3.739 -7.140 132 HA GLN 17 HA GLN 17 -34.575 2.252 -9.667 133 1HB GLN 17 2HB GLN 17 -36.390 3.976 -8.308 134 2HB GLN 17 1HB GLN 17 -35.953 4.772 -9.810 135 1HG GLN 17 2HG GLN 17 -36.791 1.903 -9.787 136 2HG GLN 17 1HG GLN 17 -37.982 3.201 -9.764 137 1HE2 GLN 17 2HE2 GLN 17 -35.544 3.480 -12.998 138 2HE2 GLN 17 1HE2 GLN 17 -34.920 3.497 -11.387 139 H LEU 18 H LEU 18 -32.082 3.082 -8.993 140 HA LEU 18 HA LEU 18 -31.418 4.782 -11.223 141 1HB LEU 18 2HB LEU 18 -30.655 5.669 -8.432 142 2HB LEU 18 1HB LEU 18 -30.096 6.400 -9.920 143 HG LEU 18 HG LEU 18 -32.991 6.383 -9.068 144 1HD1 LEU 18 2HD1 LEU 18 -30.755 8.209 -8.382 145 2HD1 LEU 18 1HD1 LEU 18 -32.358 8.890 -8.668 146 3HD1 LEU 18 3HD1 LEU 18 -32.128 7.676 -7.411 147 1HD2 LEU 18 1HD2 LEU 18 -31.777 6.988 -11.534 148 2HD2 LEU 18 3HD2 LEU 18 -33.430 7.339 -11.035 149 3HD2 LEU 18 2HD2 LEU 18 -32.163 8.540 -10.797 150 H ALA 19 H ALA 19 -28.903 5.292 -9.338 151 HA ALA 19 HA ALA 19 -27.618 2.832 -8.933 152 1HB ALA 19 1HB ALA 19 -27.843 2.932 -11.516 153 2HB ALA 19 3HB ALA 19 -26.558 4.135 -11.414 154 3HB ALA 19 2HB ALA 19 -26.287 2.500 -10.811 155 H ASN 20 H ASN 20 -27.813 5.101 -7.477 156 HA ASN 20 HA ASN 20 -25.018 5.931 -7.314 157 1HB ASN 20 2HB ASN 20 -25.432 8.045 -7.977 158 2HB ASN 20 1HB ASN 20 -27.119 7.631 -8.250 159 1HD2 ASN 20 2HD2 ASN 20 -28.173 8.866 -5.048 160 2HD2 ASN 20 1HD2 ASN 20 -28.419 7.539 -6.128 161 H GLN 21 H GLN 21 -28.236 6.063 -5.823 162 HA GLN 21 HA GLN 21 -27.580 6.716 -3.250 163 1HB GLN 21 2HB GLN 21 -29.874 6.128 -4.358 164 2HB GLN 21 1HB GLN 21 -29.557 4.515 -3.740 165 1HG GLN 21 2HG GLN 21 -30.800 5.447 -2.049 166 2HG GLN 21 1HG GLN 21 -29.152 5.727 -1.488 167 1HE2 GLN 21 2HE2 GLN 21 -29.324 9.199 -1.657 168 2HE2 GLN 21 1HE2 GLN 21 -28.330 7.800 -1.461 169 H CYS 22 H CYS 22 -28.323 3.311 -3.925 170 HA CYS 22 HA CYS 22 -26.778 2.370 -1.783 171 1HB CYS 22 2HB CYS 22 -28.076 1.061 -4.140 172 2HB CYS 22 1HB CYS 22 -27.030 0.124 -3.075 173 H ASN 23 H ASN 23 -25.997 2.893 -5.162 174 HA ASN 23 HA ASN 23 -23.657 1.417 -5.382 175 1HB ASN 23 2HB ASN 23 -24.948 2.981 -7.102 176 2HB ASN 23 1HB ASN 23 -23.739 4.156 -6.582 177 1HD2 ASN 23 2HD2 ASN 23 -21.443 2.940 -8.834 178 2HD2 ASN 23 1HD2 ASN 23 -22.180 4.271 -8.017 179 H TYR 24 H TYR 24 -23.799 4.915 -4.709 180 HA TYR 24 HA TYR 24 -21.167 5.195 -3.845 181 1HB TYR 24 2HB TYR 24 -21.777 7.350 -3.784 182 2HB TYR 24 1HB TYR 24 -23.431 6.857 -4.090 183 HD1 TYR 24 HD1 TYR 24 -21.072 6.913 -1.231 184 HD2 TYR 24 HD2 TYR 24 -24.999 7.722 -2.632 185 HE1 TYR 24 HE1 TYR 24 -21.678 7.744 0.986 186 HE2 TYR 24 HE2 TYR 24 -25.627 8.563 -0.409 187 HH TYR 24 HH TYR 24 -23.482 9.425 1.904 188 H ASP 25 H ASP 25 -24.061 4.270 -2.053 189 HA ASP 25 HA ASP 25 -23.071 4.426 0.527 190 1HB ASP 25 2HB ASP 25 -24.888 2.262 -0.552 191 2HB ASP 25 1HB ASP 25 -24.706 2.718 1.137 192 H CYS 26 H CYS 26 -23.117 1.427 -1.446 193 HA CYS 26 HA CYS 26 -21.440 -0.028 0.242 194 1HB CYS 26 2HB CYS 26 -21.491 -0.264 -2.776 195 2HB CYS 26 1HB CYS 26 -21.018 -1.505 -1.628 196 H LYS 27 H LYS 27 -20.722 2.200 -2.380 197 HA LYS 27 HA LYS 27 -17.975 1.784 -2.594 198 1HB LYS 27 2HB LYS 27 -19.600 3.181 -4.059 199 2HB LYS 27 1HB LYS 27 -19.191 4.497 -2.965 200 1HG LYS 27 2HG LYS 27 -16.984 4.564 -3.657 201 2HG LYS 27 1HG LYS 27 -17.029 2.925 -4.307 202 1HD LYS 27 2HD LYS 27 -18.013 3.579 -6.266 203 2HD LYS 27 1HD LYS 27 -18.844 4.946 -5.519 204 1HE LYS 27 2HE LYS 27 -16.790 6.205 -5.428 205 2HE LYS 27 1HE LYS 27 -15.873 4.820 -6.018 206 1HZ LYS 27 2HZ LYS 27 -17.875 5.265 -7.870 207 2HZ LYS 27 1HZ LYS 27 -17.259 6.795 -7.496 208 3HZ LYS 27 3HZ LYS 27 -16.223 5.579 -8.054 209 H LEU 28 H LEU 28 -19.427 2.643 0.209 210 HA LEU 28 HA LEU 28 -16.965 3.582 1.322 211 1HB LEU 28 2HB LEU 28 -17.720 5.661 0.306 212 2HB LEU 28 1HB LEU 28 -19.256 5.533 1.144 213 HG LEU 28 HG LEU 28 -17.945 5.643 3.314 214 1HD1 LEU 28 1HD1 LEU 28 -15.767 6.310 1.358 215 2HD1 LEU 28 3HD1 LEU 28 -15.718 6.814 3.047 216 3HD1 LEU 28 2HD1 LEU 28 -15.756 5.099 2.640 217 1HD2 LEU 28 2HD2 LEU 28 -18.169 7.902 1.364 218 2HD2 LEU 28 1HD2 LEU 28 -19.130 7.569 2.805 219 3HD2 LEU 28 3HD2 LEU 28 -17.477 8.161 2.966 220 H ASP 29 H ASP 29 -20.412 3.029 1.731 221 HA ASP 29 HA ASP 29 -20.450 3.192 4.552 222 1HB ASP 29 2HB ASP 29 -22.249 1.715 2.622 223 2HB ASP 29 1HB ASP 29 -22.565 1.844 4.349 224 H LYS 30 H LYS 30 -19.160 0.892 2.420 225 HA LYS 30 HA LYS 30 -18.519 -0.858 4.665 226 1HB LYS 30 2HB LYS 30 -19.618 -1.964 2.083 227 2HB LYS 30 1HB LYS 30 -19.199 -2.865 3.536 228 1HG LYS 30 2HG LYS 30 -21.000 -1.725 4.748 229 2HG LYS 30 1HG LYS 30 -21.429 -0.855 3.277 230 1HD LYS 30 2HD LYS 30 -22.848 -2.552 2.864 231 2HD LYS 30 1HD LYS 30 -21.418 -3.497 2.452 232 1HE LYS 30 2HE LYS 30 -22.617 -3.317 5.215 233 2HE LYS 30 1HE LYS 30 -22.940 -4.617 4.068 234 1HZ LYS 30 2HZ LYS 30 -20.319 -4.718 4.067 235 2HZ LYS 30 1HZ LYS 30 -20.521 -4.061 5.612 236 3HZ LYS 30 3HZ LYS 30 -21.238 -5.544 5.223 237 H HIS 31 H HIS 31 -17.505 0.908 2.123 238 HA HIS 31 HA HIS 31 -15.546 1.092 0.986 239 1HB HIS 31 2HB HIS 31 -14.253 -1.078 2.570 240 2HB HIS 31 1HB HIS 31 -13.617 0.490 2.083 241 HD1 HIS 31 HD1 HIS 31 -15.287 -1.258 4.851 242 HD2 HIS 31 HD2 HIS 31 -14.484 2.668 3.752 243 HE1 HIS 31 HE1 HIS 31 -15.657 0.110 6.928 244 HE2 HIS 31 HE2 HIS 31 -15.225 2.491 6.225 245 H ALA 32 H ALA 32 -17.489 -0.653 -0.088 246 HA ALA 32 HA ALA 32 -16.075 -3.004 -1.039 247 1HB ALA 32 2HB ALA 32 -18.684 -2.613 -0.508 248 2HB ALA 32 1HB ALA 32 -18.688 -2.281 -2.238 249 3HB ALA 32 3HB ALA 32 -18.105 -3.835 -1.636 250 H ARG 33 H ARG 33 -16.859 -3.278 -3.624 251 HA ARG 33 HA ARG 33 -15.230 -1.264 -4.946 252 1HB ARG 33 2HB ARG 33 -14.539 -3.053 -6.122 253 2HB ARG 33 1HB ARG 33 -15.747 -4.057 -5.346 254 1HG ARG 33 2HG ARG 33 -17.374 -3.236 -7.104 255 2HG ARG 33 1HG ARG 33 -15.983 -2.543 -7.928 256 1HD ARG 33 2HD ARG 33 -15.367 -5.229 -7.275 257 2HD ARG 33 1HD ARG 33 -16.960 -5.217 -8.008 258 HE ARG 33 HE ARG 33 -14.568 -4.060 -9.286 259 1HH1 ARG 33 1HH2 ARG 33 -17.590 -5.803 -9.470 260 2HH1 ARG 33 2HH2 ARG 33 -17.509 -5.997 -11.187 261 1HH2 ARG 33 2HH1 ARG 33 -14.461 -4.327 -11.534 262 2HH2 ARG 33 1HH1 ARG 33 -15.733 -5.164 -12.359 263 H SER 34 H SER 34 -18.533 -2.507 -4.964 264 HA SER 34 HA SER 34 -19.636 -0.046 -5.768 265 1HB SER 34 2HB SER 34 -20.035 -0.211 -8.024 266 2HB SER 34 1HB SER 34 -18.496 -1.067 -7.935 267 HG SER 34 HG SER 34 -20.038 -2.249 -9.127 268 H GLY 35 H GLY 35 -21.789 -1.376 -7.392 269 1HA GLY 35 2HA GLY 35 -23.117 -3.466 -6.452 270 2HA GLY 35 1HA GLY 35 -23.295 -2.369 -5.094 271 H GLU 36 H GLU 36 -25.538 -3.237 -6.117 272 HA GLU 36 HA GLU 36 -26.929 -0.923 -6.876 273 1HB GLU 36 2HB GLU 36 -27.665 -2.235 -9.170 274 2HB GLU 36 1HB GLU 36 -26.531 -0.897 -9.099 275 1HG GLU 36 2HG GLU 36 -25.382 -3.580 -8.662 276 2HG GLU 36 1HG GLU 36 -25.993 -3.250 -10.279 277 H CYS 37 H CYS 37 -29.281 -1.553 -7.588 278 HA CYS 37 HA CYS 37 -30.125 -3.591 -5.711 279 1HB CYS 37 2HB CYS 37 -31.198 -1.131 -6.606 280 2HB CYS 37 1HB CYS 37 -32.364 -2.384 -7.019 281 H PHE 38 H PHE 38 -31.394 -5.341 -6.108 282 HA PHE 38 HA PHE 38 -32.032 -6.052 -8.864 283 1HB PHE 38 2HB PHE 38 -30.308 -7.755 -7.053 284 2HB PHE 38 1HB PHE 38 -31.038 -8.329 -8.549 285 HD1 PHE 38 HD1 PHE 38 -30.283 -7.434 -10.715 286 HD2 PHE 38 HD2 PHE 38 -28.370 -6.381 -7.063 287 HE1 PHE 38 HE1 PHE 38 -28.333 -6.619 -11.975 288 HE2 PHE 38 HE2 PHE 38 -26.417 -5.569 -8.315 289 HZ PHE 38 HZ PHE 38 -26.395 -5.683 -10.775 290 H TYR 39 H TYR 39 -33.693 -7.617 -9.041 291 HA TYR 39 HA TYR 39 -35.452 -7.683 -6.763 292 1HB TYR 39 2HB TYR 39 -35.663 -8.477 -9.631 293 2HB TYR 39 1HB TYR 39 -36.828 -9.128 -8.482 294 HD1 TYR 39 HD2 TYR 39 -35.479 -6.006 -9.921 295 HD2 TYR 39 HD1 TYR 39 -38.605 -7.787 -7.650 296 HE1 TYR 39 HE2 TYR 39 -36.780 -3.927 -10.097 297 HE2 TYR 39 HE1 TYR 39 -39.917 -5.713 -7.823 298 HH TYR 39 HH TYR 39 -39.733 -3.576 -9.829 299 H ASP 40 H ASP 40 -36.302 -9.528 -5.758 300 HA ASP 40 HA ASP 40 -34.435 -11.790 -5.719 301 1HB ASP 40 2HB ASP 40 -35.534 -12.367 -3.569 302 2HB ASP 40 1HB ASP 40 -34.824 -10.755 -3.563 303 H GLU 41 H GLU 41 -35.751 -13.873 -4.887 304 HA GLU 41 HA GLU 41 -37.148 -14.788 -7.139 305 1HB GLU 41 2HB GLU 41 -35.890 -16.034 -5.138 306 2HB GLU 41 1HB GLU 41 -37.536 -16.191 -4.544 307 1HG GLU 41 2HG GLU 41 -37.260 -18.135 -5.737 308 2HG GLU 41 1HG GLU 41 -38.045 -17.087 -6.918 309 H LYS 42 H LYS 42 -38.216 -12.873 -4.598 310 HA LYS 42 HA LYS 42 -40.996 -13.762 -4.806 311 1HB LYS 42 2HB LYS 42 -39.447 -12.054 -2.918 312 2HB LYS 42 1HB LYS 42 -41.161 -11.708 -3.100 313 1HG LYS 42 2HG LYS 42 -41.633 -14.087 -2.556 314 2HG LYS 42 1HG LYS 42 -39.913 -14.300 -2.222 315 1HD LYS 42 2HD LYS 42 -40.363 -12.158 -0.688 316 2HD LYS 42 1HD LYS 42 -41.991 -12.842 -0.676 317 1HE LYS 42 2HE LYS 42 -39.432 -14.169 0.194 318 2HE LYS 42 1HE LYS 42 -40.799 -13.711 1.208 319 1HZ LYS 42 3HZ LYS 42 -42.077 -15.299 -0.393 320 2HZ LYS 42 2HZ LYS 42 -40.544 -15.961 -0.660 321 3HZ LYS 42 1HZ LYS 42 -41.191 -15.931 0.902 322 H ARG 43 H ARG 43 -39.648 -10.525 -4.515 323 HA ARG 43 HA ARG 43 -40.146 -9.535 -7.047 324 1HB ARG 43 2HB ARG 43 -42.224 -8.254 -6.721 325 2HB ARG 43 1HB ARG 43 -42.466 -9.990 -6.788 326 1HG ARG 43 2HG ARG 43 -42.417 -9.912 -4.234 327 2HG ARG 43 1HG ARG 43 -42.612 -8.167 -4.420 328 1HD ARG 43 2HD ARG 43 -44.817 -8.569 -4.517 329 2HD ARG 43 1HD ARG 43 -44.509 -9.214 -6.129 330 HE ARG 43 HE ARG 43 -44.036 -11.289 -4.379 331 1HH1 ARG 43 1HH2 ARG 43 -46.710 -9.223 -5.223 332 2HH1 ARG 43 2HH2 ARG 43 -47.915 -10.415 -4.867 333 1HH2 ARG 43 2HH1 ARG 43 -45.618 -12.869 -3.903 334 2HH2 ARG 43 1HH1 ARG 43 -47.295 -12.486 -4.115 335 H ASN 44 H ASN 44 -39.083 -9.172 -3.964 336 HA ASN 44 HA ASN 44 -39.173 -6.258 -3.943 337 1HB ASN 44 2HB ASN 44 -38.261 -8.301 -1.920 338 2HB ASN 44 1HB ASN 44 -37.989 -6.573 -1.709 339 1HD2 ASN 44 2HD2 ASN 44 -41.901 -7.753 -1.885 340 2HD2 ASN 44 1HD2 ASN 44 -40.742 -8.380 -3.001 341 H LEU 45 H LEU 45 -37.321 -4.965 -3.789 342 HA LEU 45 HA LEU 45 -35.062 -6.022 -5.284 343 1HB LEU 45 2HB LEU 45 -35.678 -3.204 -4.400 344 2HB LEU 45 1HB LEU 45 -34.363 -3.677 -5.462 345 HG LEU 45 HG LEU 45 -36.065 -4.510 -7.097 346 1HD1 LEU 45 1HD1 LEU 45 -37.907 -3.427 -5.006 347 2HD1 LEU 45 3HD1 LEU 45 -38.375 -3.392 -6.706 348 3HD1 LEU 45 2HD1 LEU 45 -38.010 -4.929 -5.926 349 1HD2 LEU 45 3HD2 LEU 45 -35.003 -2.294 -7.289 350 2HD2 LEU 45 2HD2 LEU 45 -36.644 -2.318 -7.934 351 3HD2 LEU 45 1HD2 LEU 45 -36.328 -1.600 -6.354 352 H GLN 46 H GLN 46 -32.885 -5.711 -4.632 353 HA GLN 46 HA GLN 46 -32.395 -5.079 -1.825 354 1HB GLN 46 2HB GLN 46 -31.834 -7.749 -3.104 355 2HB GLN 46 1HB GLN 46 -30.888 -7.179 -1.735 356 1HG GLN 46 2HG GLN 46 -32.448 -8.307 -0.560 357 2HG GLN 46 1HG GLN 46 -33.357 -6.806 -0.746 358 1HE2 GLN 46 2HE2 GLN 46 -35.358 -9.842 -1.716 359 2HE2 GLN 46 1HE2 GLN 46 -34.358 -9.483 -0.353 360 H CYS 47 H CYS 47 -30.544 -4.009 -1.537 361 HA CYS 47 HA CYS 47 -28.983 -3.336 -3.855 362 1HB CYS 47 2HB CYS 47 -28.910 -2.424 -0.995 363 2HB CYS 47 1HB CYS 47 -27.753 -1.867 -2.202 364 H ILE 48 H ILE 48 -27.583 -4.757 -4.566 365 HA ILE 48 HA ILE 48 -26.016 -6.374 -2.735 366 HB ILE 48 HB ILE 48 -26.041 -6.323 -5.751 367 1HG1 ILE 48 2HG1 ILE 48 -27.353 -8.159 -3.735 368 2HG1 ILE 48 1HG1 ILE 48 -28.155 -7.119 -4.908 369 1HG2 ILE 48 3HG2 ILE 48 -24.705 -8.233 -3.836 370 2HG2 ILE 48 2HG2 ILE 48 -24.817 -8.456 -5.582 371 3HG2 ILE 48 1HG2 ILE 48 -23.902 -7.103 -4.925 372 1HD1 ILE 48 2HD1 ILE 48 -27.027 -8.506 -6.695 373 2HD1 ILE 48 1HD1 ILE 48 -26.610 -9.637 -5.408 374 3HD1 ILE 48 3HD1 ILE 48 -28.302 -9.294 -5.765 375 H CYS 49 H CYS 49 -24.125 -5.761 -1.991 376 HA CYS 49 HA CYS 49 -22.670 -3.568 -3.265 377 1HB CYS 49 2HB CYS 49 -22.313 -4.988 -0.622 378 2HB CYS 49 1HB CYS 49 -21.243 -3.718 -1.195 379 H ASP 50 H ASP 50 -21.116 -4.021 -4.688 380 HA ASP 50 HA ASP 50 -20.072 -6.721 -4.870 381 1HB ASP 50 2HB ASP 50 -20.770 -5.208 -6.845 382 2HB ASP 50 1HB ASP 50 -19.221 -4.413 -6.602 383 H TYR 51 H TYR 51 -17.959 -7.316 -4.657 384 HA TYR 51 HA TYR 51 -16.044 -5.386 -3.550 385 1HB TYR 51 2HB TYR 51 -16.856 -8.030 -2.343 386 2HB TYR 51 1HB TYR 51 -15.380 -7.185 -1.895 387 HD1 TYR 51 HD1 TYR 51 -19.055 -7.092 -1.767 388 HD2 TYR 51 HD2 TYR 51 -15.444 -5.284 -0.438 389 HE1 TYR 51 HE1 TYR 51 -20.310 -5.842 -0.069 390 HE2 TYR 51 HE2 TYR 51 -16.696 -4.026 1.265 391 HH TYR 51 HH TYR 51 -19.349 -4.699 2.450 392 H CYS 52 H CYS 52 -16.088 -6.411 -6.166 393 HA CYS 52 HA CYS 52 -14.198 -8.608 -6.205 394 1HB CYS 52 2HB CYS 52 -15.601 -7.169 -8.450 395 2HB CYS 52 1HB CYS 52 -14.519 -8.540 -8.664 396 H GLU 53 H GLU 53 -14.193 -5.893 -8.429 397 HA GLU 53 HA GLU 53 -12.147 -5.130 -9.425 398 1HB GLU 53 2HB GLU 53 -13.435 -3.358 -8.229 399 2HB GLU 53 1HB GLU 53 -12.435 -3.642 -6.813 400 1HG GLU 53 2HG GLU 53 -10.488 -3.209 -8.546 401 2HG GLU 53 1HG GLU 53 -11.760 -2.319 -9.380 402 H TYR 54 HN TYR 54 -11.403 -4.833 -6.005 403 HA TYR 54 HA TYR 54 -8.802 -4.887 -5.807 404 1HB TYR 54 2HB TYR 54 -10.364 -6.924 -4.227 405 2HB TYR 54 1HB TYR 54 -8.953 -5.998 -3.713 406 HD1 TYR 54 HD1 TYR 54 -9.523 -3.295 -4.368 407 HD2 TYR 54 HD2 TYR 54 -12.208 -6.282 -2.972 408 HE1 TYR 54 HE1 TYR 54 -10.985 -1.549 -3.482 409 HE2 TYR 54 HE2 TYR 54 -13.688 -4.534 -2.070 410 HH TYR 54 HH TYR 54 -13.433 -1.307 -2.913 No H/Q in entry = 410 Start of MODEL 40 1 HN PCA 1 HN PCA 1 -13.313 -16.738 1.884 2 HA PCA 1 HA PCA 1 -15.516 -17.652 2.816 3 1HB PCA 1 1HB PCA 1 -15.886 -17.280 5.017 4 2HB PCA 1 2HB PCA 1 -15.862 -15.519 4.761 5 1HG PCA 1 1HG PCA 1 -13.750 -17.240 5.793 6 2HG PCA 1 2HG PCA 1 -13.762 -15.472 5.656 7 H ASP 2 H ASP 2 -16.693 -17.025 1.113 8 HA ASP 2 HA ASP 2 -17.575 -15.661 -0.519 9 1HB ASP 2 2HB ASP 2 -19.078 -13.854 0.670 10 2HB ASP 2 1HB ASP 2 -19.452 -15.570 0.815 11 H LYS 3 H LYS 3 -17.697 -12.848 1.435 12 HA LYS 3 HA LYS 3 -16.761 -10.785 1.250 13 1HB LYS 3 2HB LYS 3 -14.372 -12.484 0.551 14 2HB LYS 3 1HB LYS 3 -14.281 -10.737 0.699 15 1HG LYS 3 2HG LYS 3 -15.486 -12.200 2.971 16 2HG LYS 3 1HG LYS 3 -13.752 -12.409 2.723 17 1HD LYS 3 2HD LYS 3 -13.619 -9.864 2.652 18 2HD LYS 3 1HD LYS 3 -15.276 -9.870 3.263 19 1HE LYS 3 2HE LYS 3 -12.901 -11.173 4.589 20 2HE LYS 3 1HE LYS 3 -13.631 -9.642 5.069 21 1HZ LYS 3 1HZ LYS 3 -15.299 -12.061 4.935 22 2HZ LYS 3 3HZ LYS 3 -14.291 -11.823 6.273 23 3HZ LYS 3 2HZ LYS 3 -15.485 -10.685 5.901 24 H CYS 4 H CYS 4 -15.557 -9.278 -0.307 25 HA CYS 4 HA CYS 4 -15.496 -8.212 -2.295 26 1HB CYS 4 2HB CYS 4 -15.276 -11.054 -3.200 27 2HB CYS 4 1HB CYS 4 -15.392 -9.756 -4.378 28 H LYS 5 H LYS 5 -18.018 -10.513 -1.771 29 HA LYS 5 HA LYS 5 -19.857 -8.788 -3.251 30 1HB LYS 5 2HB LYS 5 -19.465 -11.737 -3.703 31 2HB LYS 5 1HB LYS 5 -20.995 -10.952 -4.070 32 1HG LYS 5 2HG LYS 5 -20.189 -9.944 -5.924 33 2HG LYS 5 1HG LYS 5 -18.615 -9.631 -5.192 34 1HD LYS 5 2HD LYS 5 -18.328 -11.176 -7.011 35 2HD LYS 5 1HD LYS 5 -18.055 -12.032 -5.492 36 1HE LYS 5 2HE LYS 5 -19.412 -13.544 -6.530 37 2HE LYS 5 1HE LYS 5 -20.640 -12.550 -5.748 38 1HZ LYS 5 1HZ LYS 5 -19.945 -11.487 -8.285 39 2HZ LYS 5 3HZ LYS 5 -20.419 -13.104 -8.434 40 3HZ LYS 5 2HZ LYS 5 -21.457 -11.981 -7.713 41 H LYS 6 H LYS 6 -21.040 -8.098 -1.540 42 HA LYS 6 HA LYS 6 -22.473 -10.150 -0.021 43 1HB LYS 6 2HB LYS 6 -21.096 -7.812 1.284 44 2HB LYS 6 1HB LYS 6 -22.073 -9.029 2.091 45 1HG LYS 6 2HG LYS 6 -20.465 -10.705 1.758 46 2HG LYS 6 1HG LYS 6 -19.587 -9.737 0.571 47 1HD LYS 6 2HD LYS 6 -18.318 -9.607 2.533 48 2HD LYS 6 1HD LYS 6 -19.188 -8.079 2.434 49 1HE LYS 6 2HE LYS 6 -19.192 -9.040 4.711 50 2HE LYS 6 1HE LYS 6 -20.811 -8.846 4.043 51 1HZ LYS 6 2HZ LYS 6 -19.447 -11.418 3.692 52 2HZ LYS 6 1HZ LYS 6 -20.099 -11.054 5.209 53 3HZ LYS 6 3HZ LYS 6 -21.099 -11.088 3.845 54 H VAL 7 H VAL 7 -24.553 -9.708 0.256 55 HA VAL 7 HA VAL 7 -25.715 -7.425 -0.943 56 HB VAL 7 HB VAL 7 -27.807 -8.281 -0.330 57 1HG1 VAL 7 1HG1 VAL 7 -26.214 -9.830 -1.691 58 2HG1 VAL 7 3HG1 VAL 7 -26.296 -10.854 -0.258 59 3HG1 VAL 7 2HG1 VAL 7 -27.771 -10.443 -1.132 60 1HG2 VAL 7 2HG2 VAL 7 -26.361 -9.396 2.026 61 2HG2 VAL 7 1HG2 VAL 7 -27.855 -8.464 1.951 62 3HG2 VAL 7 3HG2 VAL 7 -27.857 -10.163 1.489 63 H TYR 8 H TYR 8 -26.903 -5.710 0.108 64 HA TYR 8 HA TYR 8 -25.583 -4.807 2.512 65 1HB TYR 8 2HB TYR 8 -26.339 -3.421 0.426 66 2HB TYR 8 1HB TYR 8 -27.888 -3.355 1.257 67 HD1 TYR 8 HD2 TYR 8 -26.374 -3.335 4.076 68 HD2 TYR 8 HD1 TYR 8 -26.138 -0.996 0.532 69 HE1 TYR 8 HE2 TYR 8 -25.538 -1.445 5.391 70 HE2 TYR 8 HE1 TYR 8 -25.299 0.911 1.841 71 HH TYR 8 HH TYR 8 -24.563 1.590 3.841 72 H GLU 9 H GLU 9 -27.087 -7.141 2.798 73 HA GLU 9 HA GLU 9 -29.159 -7.925 3.727 74 1HB GLU 9 2HB GLU 9 -28.568 -7.746 6.265 75 2HB GLU 9 1HB GLU 9 -27.550 -8.679 5.177 76 1HG GLU 9 2HG GLU 9 -25.882 -7.052 5.146 77 2HG GLU 9 1HG GLU 9 -26.958 -5.808 5.780 78 H ASN 10 H ASN 10 -28.654 -5.878 6.358 79 HA ASN 10 HA ASN 10 -31.201 -5.192 6.902 80 1HB ASN 10 2HB ASN 10 -28.680 -3.609 7.361 81 2HB ASN 10 1HB ASN 10 -30.236 -3.130 8.033 82 1HD2 ASN 10 2HD2 ASN 10 -29.525 -5.006 10.840 83 2HD2 ASN 10 1HD2 ASN 10 -29.933 -3.481 10.142 84 H TYR 11 H TYR 11 -29.073 -2.700 5.506 85 HA TYR 11 HA TYR 11 -29.893 -0.660 4.634 86 1HB TYR 11 2HB TYR 11 -28.735 -2.145 2.960 87 2HB TYR 11 1HB TYR 11 -30.333 -2.592 2.369 88 HD1 TYR 11 HD2 TYR 11 -28.256 0.438 3.064 89 HD2 TYR 11 HD1 TYR 11 -31.275 -1.345 0.655 90 HE1 TYR 11 HE2 TYR 11 -28.276 2.431 1.624 91 HE2 TYR 11 HE1 TYR 11 -31.305 0.644 -0.791 92 HH TYR 11 HH TYR 11 -28.926 2.945 -0.812 93 HA PRO 12 HA PRO 12 -34.413 -0.765 5.443 94 1HB PRO 12 2HB PRO 12 -33.910 2.011 4.434 95 2HB PRO 12 1HB PRO 12 -34.945 1.471 5.763 96 1HG PRO 12 2HG PRO 12 -32.551 2.514 6.262 97 2HG PRO 12 1HG PRO 12 -33.152 1.132 7.198 98 1HD PRO 12 2HD PRO 12 -31.057 1.229 5.098 99 2HD PRO 12 1HD PRO 12 -31.221 0.127 6.480 100 H VAL 13 H VAL 13 -34.928 -2.154 3.726 101 HA VAL 13 HA VAL 13 -34.797 -1.603 1.003 102 HB VAL 13 HB VAL 13 -37.112 -3.158 2.080 103 1HG1 VAL 13 1HG1 VAL 13 -36.574 -2.887 -0.377 104 2HG1 VAL 13 3HG1 VAL 13 -35.147 -3.879 -0.080 105 3HG1 VAL 13 2HG1 VAL 13 -36.757 -4.543 0.201 106 1HG2 VAL 13 1HG2 VAL 13 -34.222 -3.795 2.488 107 2HG2 VAL 13 3HG2 VAL 13 -35.586 -4.003 3.588 108 3HG2 VAL 13 2HG2 VAL 13 -35.379 -5.100 2.221 109 H SER 14 H SER 14 -35.473 0.430 0.404 110 HA SER 14 HA SER 14 -38.174 0.811 -0.206 111 1HB SER 14 2HB SER 14 -38.571 2.822 1.327 112 2HB SER 14 1HB SER 14 -38.685 1.226 2.067 113 HG SER 14 HG SER 14 -36.676 3.174 2.319 114 H LYS 15 H LYS 15 -35.340 1.174 -1.121 115 HA LYS 15 HA LYS 15 -35.756 3.389 -2.798 116 1HB LYS 15 2HB LYS 15 -34.670 4.020 -0.210 117 2HB LYS 15 1HB LYS 15 -33.455 4.360 -1.435 118 1HG LYS 15 2HG LYS 15 -35.223 5.676 -2.656 119 2HG LYS 15 1HG LYS 15 -36.231 5.498 -1.218 120 1HD LYS 15 2HD LYS 15 -34.581 6.641 0.127 121 2HD LYS 15 1HD LYS 15 -33.470 6.715 -1.242 122 1HE LYS 15 2HE LYS 15 -36.125 7.876 -1.759 123 2HE LYS 15 1HE LYS 15 -35.183 8.715 -0.527 124 1HZ LYS 15 3HZ LYS 15 -34.152 8.057 -3.231 125 2HZ LYS 15 2HZ LYS 15 -34.835 9.548 -2.817 126 3HZ LYS 15 1HZ LYS 15 -33.412 9.033 -2.063 127 H CYS 16 H CYS 16 -34.943 2.426 -4.533 128 HA CYS 16 HA CYS 16 -32.155 1.994 -4.818 129 1HB CYS 16 2HB CYS 16 -33.591 -0.170 -3.713 130 2HB CYS 16 1HB CYS 16 -33.217 -0.627 -5.370 131 H GLN 17 H GLN 17 -35.286 2.248 -6.078 132 HA GLN 17 HA GLN 17 -34.982 1.138 -8.637 133 1HB GLN 17 2HB GLN 17 -36.746 3.295 -7.516 134 2HB GLN 17 1HB GLN 17 -36.783 2.903 -9.229 135 1HG GLN 17 2HG GLN 17 -37.238 0.896 -7.036 136 2HG GLN 17 1HG GLN 17 -38.527 1.779 -7.852 137 1HE2 GLN 17 2HE2 GLN 17 -38.554 -0.229 -10.682 138 2HE2 GLN 17 1HE2 GLN 17 -39.156 1.174 -9.873 139 H LEU 18 H LEU 18 -32.779 2.997 -7.602 140 HA LEU 18 HA LEU 18 -32.101 4.139 -10.130 141 1HB LEU 18 2HB LEU 18 -33.000 5.902 -7.870 142 2HB LEU 18 1HB LEU 18 -31.777 6.471 -8.985 143 HG LEU 18 HG LEU 18 -34.646 5.793 -9.604 144 1HD1 LEU 18 2HD1 LEU 18 -33.852 8.039 -8.597 145 2HD1 LEU 18 1HD1 LEU 18 -33.231 8.344 -10.219 146 3HD1 LEU 18 3HD1 LEU 18 -34.951 8.043 -9.977 147 1HD2 LEU 18 1HD2 LEU 18 -32.291 6.085 -11.413 148 2HD2 LEU 18 3HD2 LEU 18 -33.674 4.999 -11.537 149 3HD2 LEU 18 2HD2 LEU 18 -33.858 6.706 -11.932 150 H ALA 19 H ALA 19 -29.929 4.256 -10.312 151 HA ALA 19 HA ALA 19 -28.222 3.132 -8.413 152 1HB ALA 19 2HB ALA 19 -27.879 3.584 -10.949 153 2HB ALA 19 1HB ALA 19 -27.194 5.113 -10.400 154 3HB ALA 19 3HB ALA 19 -26.487 3.588 -9.866 155 H ASN 20 H ASN 20 -26.091 4.528 -7.907 156 HA ASN 20 HA ASN 20 -25.123 6.239 -6.759 157 1HB ASN 20 2HB ASN 20 -27.158 7.590 -7.977 158 2HB ASN 20 1HB ASN 20 -27.570 7.833 -6.284 159 1HD2 ASN 20 2HD2 ASN 20 -24.695 9.792 -5.580 160 2HD2 ASN 20 1HD2 ASN 20 -25.796 8.651 -4.896 161 H GLN 21 H GLN 21 -28.395 6.445 -5.404 162 HA GLN 21 HA GLN 21 -27.995 6.591 -2.806 163 1HB GLN 21 2HB GLN 21 -30.040 5.373 -4.436 164 2HB GLN 21 1HB GLN 21 -29.863 4.463 -2.943 165 1HG GLN 21 2HG GLN 21 -31.497 6.047 -2.476 166 2HG GLN 21 1HG GLN 21 -30.031 6.710 -1.755 167 1HE2 GLN 21 2HE2 GLN 21 -29.679 9.143 -4.448 168 2HE2 GLN 21 1HE2 GLN 21 -28.734 7.905 -3.701 169 H CYS 22 H CYS 22 -28.606 3.245 -3.765 170 HA CYS 22 HA CYS 22 -27.123 2.158 -1.646 171 1HB CYS 22 2HB CYS 22 -28.955 1.068 -3.104 172 2HB CYS 22 1HB CYS 22 -27.643 0.686 -4.216 173 H ASN 23 H ASN 23 -26.321 2.590 -5.066 174 HA ASN 23 HA ASN 23 -23.859 1.341 -5.151 175 1HB ASN 23 2HB ASN 23 -25.385 2.787 -6.912 176 2HB ASN 23 1HB ASN 23 -24.005 3.860 -6.690 177 1HD2 ASN 23 2HD2 ASN 23 -21.675 1.415 -7.978 178 2HD2 ASN 23 1HD2 ASN 23 -21.858 2.474 -6.625 179 H TYR 24 H TYR 24 -24.061 4.899 -5.114 180 HA TYR 24 HA TYR 24 -21.495 5.414 -4.317 181 1HB TYR 24 2HB TYR 24 -22.397 7.440 -4.740 182 2HB TYR 24 1HB TYR 24 -24.015 6.894 -4.323 183 HD1 TYR 24 HD1 TYR 24 -20.840 7.435 -2.421 184 HD2 TYR 24 HD2 TYR 24 -25.009 8.214 -2.736 185 HE1 TYR 24 HE1 TYR 24 -20.743 8.741 -0.343 186 HE2 TYR 24 HE2 TYR 24 -24.924 9.524 -0.656 187 HH TYR 24 HH TYR 24 -23.664 10.197 1.054 188 H ASP 25 H ASP 25 -24.299 4.906 -2.183 189 HA ASP 25 HA ASP 25 -23.110 5.363 0.261 190 1HB ASP 25 2HB ASP 25 -25.301 3.470 -0.553 191 2HB ASP 25 1HB ASP 25 -24.793 3.628 1.126 192 H CYS 26 H CYS 26 -23.705 2.019 -0.836 193 HA CYS 26 HA CYS 26 -21.937 0.853 0.931 194 1HB CYS 26 2HB CYS 26 -23.335 0.026 -1.489 195 2HB CYS 26 1HB CYS 26 -21.785 -0.791 -1.315 196 H LYS 27 H LYS 27 -21.328 2.251 -2.231 197 HA LYS 27 HA LYS 27 -18.660 1.417 -2.520 198 1HB LYS 27 2HB LYS 27 -19.972 2.285 -4.383 199 2HB LYS 27 1HB LYS 27 -20.030 3.865 -3.620 200 1HG LYS 27 2HG LYS 27 -17.821 4.323 -4.078 201 2HG LYS 27 1HG LYS 27 -17.394 2.616 -4.226 202 1HD LYS 27 2HD LYS 27 -18.742 2.514 -6.310 203 2HD LYS 27 1HD LYS 27 -19.010 4.255 -6.176 204 1HE LYS 27 2HE LYS 27 -16.736 4.742 -6.520 205 2HE LYS 27 1HE LYS 27 -16.249 3.077 -6.205 206 1HZ LYS 27 2HZ LYS 27 -17.991 3.723 -8.494 207 2HZ LYS 27 1HZ LYS 27 -16.314 3.901 -8.615 208 3HZ LYS 27 3HZ LYS 27 -16.982 2.385 -8.272 209 H LEU 28 H LEU 28 -19.731 3.082 0.015 210 HA LEU 28 HA LEU 28 -17.133 4.173 0.579 211 1HB LEU 28 2HB LEU 28 -18.088 5.959 -0.796 212 2HB LEU 28 1HB LEU 28 -19.462 6.068 0.286 213 HG LEU 28 HG LEU 28 -16.855 6.399 1.620 214 1HD1 LEU 28 1HD1 LEU 28 -16.409 7.519 -0.544 215 2HD1 LEU 28 3HD1 LEU 28 -17.806 8.558 -0.256 216 3HD1 LEU 28 2HD1 LEU 28 -16.417 8.625 0.831 217 1HD2 LEU 28 3HD2 LEU 28 -19.154 6.749 2.605 218 2HD2 LEU 28 2HD2 LEU 28 -17.999 8.060 2.849 219 3HD2 LEU 28 1HD2 LEU 28 -19.256 8.208 1.621 220 H ASP 29 H ASP 29 -20.370 3.394 1.512 221 HA ASP 29 HA ASP 29 -20.214 4.289 4.212 222 1HB ASP 29 2HB ASP 29 -22.075 2.687 2.580 223 2HB ASP 29 1HB ASP 29 -22.026 2.213 4.274 224 H LYS 30 H LYS 30 -19.942 1.060 2.742 225 HA LYS 30 HA LYS 30 -18.549 0.104 5.145 226 1HB LYS 30 2HB LYS 30 -19.684 -1.455 2.816 227 2HB LYS 30 1HB LYS 30 -18.995 -2.147 4.278 228 1HG LYS 30 2HG LYS 30 -20.787 -1.481 5.601 229 2HG LYS 30 1HG LYS 30 -21.324 -0.275 4.434 230 1HD LYS 30 2HD LYS 30 -22.894 -1.910 4.098 231 2HD LYS 30 1HD LYS 30 -21.692 -2.395 2.904 232 1HE LYS 30 2HE LYS 30 -22.221 -4.379 3.999 233 2HE LYS 30 1HE LYS 30 -20.723 -3.862 4.776 234 1HZ LYS 30 1HZ LYS 30 -22.569 -2.685 6.316 235 2HZ LYS 30 3HZ LYS 30 -23.392 -4.094 5.871 236 3HZ LYS 30 2HZ LYS 30 -21.889 -4.198 6.643 237 H HIS 31 H HIS 31 -17.774 1.566 2.386 238 HA HIS 31 HA HIS 31 -15.821 1.840 1.250 239 1HB HIS 31 2HB HIS 31 -14.549 -0.344 2.884 240 2HB HIS 31 1HB HIS 31 -13.785 1.053 2.131 241 HD1 HIS 31 HD1 HIS 31 -14.964 -0.134 5.312 242 HD2 HIS 31 HD2 HIS 31 -14.642 3.575 3.467 243 HE1 HIS 31 HE1 HIS 31 -15.087 1.554 7.171 244 HE2 HIS 31 HE2 HIS 31 -14.941 3.792 6.027 245 H ALA 32 H ALA 32 -17.759 0.268 0.158 246 HA ALA 32 HA ALA 32 -16.553 -2.189 -0.796 247 1HB ALA 32 2HB ALA 32 -19.053 -1.768 -0.220 248 2HB ALA 32 1HB ALA 32 -19.126 -1.101 -1.850 249 3HB ALA 32 3HB ALA 32 -18.633 -2.777 -1.604 250 H ARG 33 H ARG 33 -18.084 -1.806 -3.382 251 HA ARG 33 HA ARG 33 -16.391 0.145 -4.748 252 1HB ARG 33 2HB ARG 33 -16.365 -2.813 -5.201 253 2HB ARG 33 1HB ARG 33 -16.114 -1.737 -6.567 254 1HG ARG 33 2HG ARG 33 -14.472 -1.787 -4.043 255 2HG ARG 33 1HG ARG 33 -14.005 -2.478 -5.599 256 1HD ARG 33 2HD ARG 33 -12.988 -0.481 -5.891 257 2HD ARG 33 1HD ARG 33 -14.605 0.062 -6.337 258 HE ARG 33 HE ARG 33 -14.766 0.624 -3.834 259 1HH1 ARG 33 1HH2 ARG 33 -11.853 0.832 -5.740 260 2HH1 ARG 33 2HH2 ARG 33 -11.167 2.100 -4.783 261 1HH2 ARG 33 2HH1 ARG 33 -13.868 2.284 -2.565 262 2HH2 ARG 33 1HH1 ARG 33 -12.307 2.920 -2.968 263 H SER 34 H SER 34 -19.197 -1.967 -4.738 264 HA SER 34 HA SER 34 -20.601 -0.088 -6.426 265 1HB SER 34 2HB SER 34 -21.293 -2.164 -7.931 266 2HB SER 34 1HB SER 34 -19.852 -1.210 -8.287 267 HG SER 34 HG SER 34 -20.076 -3.795 -7.273 268 H GLY 35 H GLY 35 -22.503 0.169 -5.478 269 1HA GLY 35 2HA GLY 35 -23.707 -2.092 -4.021 270 2HA GLY 35 1HA GLY 35 -24.044 -0.402 -3.713 271 H GLU 36 H GLU 36 -24.347 -2.900 -6.212 272 HA GLU 36 HA GLU 36 -26.395 -1.500 -7.628 273 1HB GLU 36 2HB GLU 36 -25.290 -4.288 -7.792 274 2HB GLU 36 1HB GLU 36 -26.678 -3.793 -8.754 275 1HG GLU 36 2HG GLU 36 -25.414 -2.161 -9.907 276 2HG GLU 36 1HG GLU 36 -24.063 -2.318 -8.786 277 H CYS 37 H CYS 37 -28.422 -2.964 -8.197 278 HA CYS 37 HA CYS 37 -29.591 -4.202 -5.850 279 1HB CYS 37 2HB CYS 37 -30.106 -1.482 -6.473 280 2HB CYS 37 1HB CYS 37 -31.568 -2.377 -6.872 281 H PHE 38 H PHE 38 -31.213 -5.698 -6.357 282 HA PHE 38 HA PHE 38 -32.163 -5.791 -9.114 283 1HB PHE 38 2HB PHE 38 -30.528 -8.002 -7.866 284 2HB PHE 38 1HB PHE 38 -31.457 -8.174 -9.354 285 HD1 PHE 38 HD2 PHE 38 -30.980 -6.332 -11.150 286 HD2 PHE 38 HD1 PHE 38 -28.300 -7.432 -8.031 287 HE1 PHE 38 HE2 PHE 38 -29.099 -5.429 -12.457 288 HE2 PHE 38 HE1 PHE 38 -26.412 -6.527 -9.332 289 HZ PHE 38 HZ PHE 38 -26.811 -5.523 -11.546 290 H TYR 39 H TYR 39 -33.983 -6.842 -9.480 291 HA TYR 39 HA TYR 39 -35.197 -8.688 -7.746 292 1HB TYR 39 2HB TYR 39 -36.507 -7.452 -6.405 293 2HB TYR 39 1HB TYR 39 -35.449 -6.122 -6.846 294 HD1 TYR 39 HD2 TYR 39 -36.266 -5.341 -9.449 295 HD2 TYR 39 HD1 TYR 39 -38.612 -6.697 -6.152 296 HE1 TYR 39 HE2 TYR 39 -38.184 -4.053 -10.298 297 HE2 TYR 39 HE1 TYR 39 -40.522 -5.390 -6.991 298 HH TYR 39 HH TYR 39 -40.488 -3.018 -8.860 299 H ASP 40 H ASP 40 -37.359 -9.349 -8.567 300 HA ASP 40 HA ASP 40 -37.509 -8.914 -11.449 301 1HB ASP 40 2HB ASP 40 -39.194 -10.881 -11.232 302 2HB ASP 40 1HB ASP 40 -37.468 -11.200 -11.100 303 H GLU 41 H GLU 41 -40.104 -9.774 -9.350 304 HA GLU 41 HA GLU 41 -41.368 -7.257 -9.600 305 1HB GLU 41 2HB GLU 41 -41.616 -8.666 -11.867 306 2HB GLU 41 1HB GLU 41 -42.994 -9.320 -10.994 307 1HG GLU 41 2HG GLU 41 -42.586 -6.363 -11.281 308 2HG GLU 41 1HG GLU 41 -43.372 -7.317 -12.535 309 H LYS 42 H LYS 42 -40.827 -9.882 -7.911 310 HA LYS 42 HA LYS 42 -43.499 -10.165 -6.743 311 1HB LYS 42 2HB LYS 42 -41.053 -11.848 -6.846 312 2HB LYS 42 1HB LYS 42 -41.922 -11.892 -5.323 313 1HG LYS 42 2HG LYS 42 -43.184 -13.501 -6.227 314 2HG LYS 42 1HG LYS 42 -43.931 -12.250 -7.212 315 1HD LYS 42 2HD LYS 42 -41.433 -13.712 -8.056 316 2HD LYS 42 1HD LYS 42 -43.055 -14.285 -8.437 317 1HE LYS 42 2HE LYS 42 -42.197 -11.497 -9.117 318 2HE LYS 42 1HE LYS 42 -41.824 -12.849 -10.180 319 1HZ LYS 42 2HZ LYS 42 -44.532 -12.983 -9.461 320 2HZ LYS 42 1HZ LYS 42 -44.206 -11.413 -10.000 321 3HZ LYS 42 3HZ LYS 42 -43.862 -12.738 -10.994 322 H ARG 43 H ARG 43 -41.025 -8.164 -6.545 323 HA ARG 43 HA ARG 43 -40.553 -6.514 -5.037 324 1HB ARG 43 2HB ARG 43 -42.931 -7.157 -4.151 325 2HB ARG 43 1HB ARG 43 -42.028 -7.933 -2.858 326 1HG ARG 43 2HG ARG 43 -40.924 -5.361 -3.118 327 2HG ARG 43 1HG ARG 43 -42.672 -5.146 -3.213 328 1HD ARG 43 2HD ARG 43 -41.767 -5.007 -0.908 329 2HD ARG 43 1HD ARG 43 -42.980 -6.268 -1.118 330 HE ARG 43 HE ARG 43 -41.139 -7.876 -1.183 331 1HH1 ARG 43 1HH2 ARG 43 -40.478 -4.718 0.164 332 2HH1 ARG 43 2HH2 ARG 43 -39.119 -5.263 1.086 333 1HH2 ARG 43 2HH1 ARG 43 -39.349 -8.585 0.021 334 2HH2 ARG 43 1HH1 ARG 43 -38.476 -7.458 1.003 335 H ASN 44 H ASN 44 -39.219 -9.211 -5.363 336 HA ASN 44 HA ASN 44 -37.873 -9.404 -2.790 337 1HB ASN 44 2HB ASN 44 -37.956 -11.172 -5.204 338 2HB ASN 44 1HB ASN 44 -36.623 -11.303 -4.061 339 1HD2 ASN 44 2HD2 ASN 44 -39.546 -13.567 -3.235 340 2HD2 ASN 44 1HD2 ASN 44 -38.764 -13.203 -4.732 341 H LEU 45 H LEU 45 -37.047 -7.298 -3.086 342 HA LEU 45 HA LEU 45 -34.882 -7.018 -5.007 343 1HB LEU 45 2HB LEU 45 -36.460 -5.220 -5.024 344 2HB LEU 45 1HB LEU 45 -36.383 -5.075 -3.277 345 HG LEU 45 HG LEU 45 -34.000 -4.316 -3.510 346 1HD1 LEU 45 3HD1 LEU 45 -33.665 -5.287 -5.782 347 2HD1 LEU 45 2HD1 LEU 45 -34.707 -4.019 -6.423 348 3HD1 LEU 45 1HD1 LEU 45 -33.186 -3.598 -5.638 349 1HD2 LEU 45 1HD2 LEU 45 -36.258 -2.750 -4.725 350 2HD2 LEU 45 3HD2 LEU 45 -35.641 -2.679 -3.075 351 3HD2 LEU 45 2HD2 LEU 45 -34.670 -2.057 -4.406 352 H GLN 46 H GLN 46 -32.807 -6.736 -4.564 353 HA GLN 46 HA GLN 46 -31.972 -6.555 -1.763 354 1HB GLN 46 2HB GLN 46 -31.158 -8.735 -3.682 355 2HB GLN 46 1HB GLN 46 -30.239 -8.351 -2.231 356 1HG GLN 46 2HG GLN 46 -32.355 -8.753 -0.925 357 2HG GLN 46 1HG GLN 46 -33.050 -9.394 -2.413 358 1HE2 GLN 46 2HE2 GLN 46 -30.302 -11.527 -0.301 359 2HE2 GLN 46 1HE2 GLN 46 -30.597 -9.858 0.034 360 H CYS 47 H CYS 47 -30.006 -5.595 -1.431 361 HA CYS 47 HA CYS 47 -28.906 -4.132 -3.713 362 1HB CYS 47 2HB CYS 47 -29.329 -3.570 -0.903 363 2HB CYS 47 1HB CYS 47 -27.663 -3.245 -1.357 364 H ILE 48 H ILE 48 -27.243 -5.145 -4.726 365 HA ILE 48 HA ILE 48 -25.503 -6.906 -3.197 366 HB ILE 48 HB ILE 48 -25.624 -6.298 -6.145 367 1HG1 ILE 48 2HG1 ILE 48 -27.311 -7.842 -4.931 368 2HG1 ILE 48 1HG1 ILE 48 -26.524 -8.451 -6.382 369 1HG2 ILE 48 3HG2 ILE 48 -23.620 -7.890 -4.570 370 2HG2 ILE 48 2HG2 ILE 48 -23.933 -8.209 -6.278 371 3HG2 ILE 48 1HG2 ILE 48 -23.329 -6.632 -5.772 372 1HD1 ILE 48 1HD1 ILE 48 -25.122 -9.049 -3.873 373 2HD1 ILE 48 3HD1 ILE 48 -26.705 -9.803 -4.055 374 3HD1 ILE 48 2HD1 ILE 48 -25.455 -10.076 -5.268 375 H CYS 49 H CYS 49 -23.866 -6.063 -2.098 376 HA CYS 49 HA CYS 49 -22.496 -3.694 -3.177 377 1HB CYS 49 2HB CYS 49 -22.538 -4.772 -0.356 378 2HB CYS 49 1HB CYS 49 -21.667 -3.333 -0.883 379 H ASP 50 H ASP 50 -20.873 -4.321 -4.432 380 HA ASP 50 HA ASP 50 -19.165 -6.544 -3.586 381 1HB ASP 50 2HB ASP 50 -19.880 -6.672 -5.895 382 2HB ASP 50 1HB ASP 50 -19.337 -5.025 -6.199 383 H TYR 51 H TYR 51 -17.128 -6.320 -2.972 384 HA TYR 51 HA TYR 51 -16.162 -3.586 -2.534 385 1HB TYR 51 2HB TYR 51 -15.436 -6.220 -1.268 386 2HB TYR 51 1HB TYR 51 -14.647 -4.695 -0.874 387 HD1 TYR 51 HD1 TYR 51 -18.115 -6.082 -1.145 388 HD2 TYR 51 HD2 TYR 51 -15.408 -3.611 1.018 389 HE1 TYR 51 HE1 TYR 51 -19.866 -5.634 0.519 390 HE2 TYR 51 HE2 TYR 51 -17.151 -3.160 2.693 391 HH TYR 51 HH TYR 51 -19.676 -4.867 3.230 392 H CYS 52 H CYS 52 -15.444 -6.493 -4.264 393 HA CYS 52 HA CYS 52 -13.098 -5.177 -5.434 394 1HB CYS 52 2HB CYS 52 -12.544 -7.994 -5.314 395 2HB CYS 52 1HB CYS 52 -11.643 -6.669 -4.587 396 H GLU 53 H GLU 53 -14.274 -8.460 -5.847 397 HA GLU 53 HA GLU 53 -15.916 -9.081 -7.521 398 1HB GLU 53 2HB GLU 53 -15.861 -8.191 -9.741 399 2HB GLU 53 1HB GLU 53 -15.921 -6.837 -8.631 400 1HG GLU 53 2HG GLU 53 -14.239 -6.017 -9.886 401 2HG GLU 53 1HG GLU 53 -13.226 -7.141 -8.979 402 H TYR 54 HN TYR 54 -13.312 -9.901 -6.458 403 HA TYR 54 HA TYR 54 -11.418 -10.788 -8.137 404 1HB TYR 54 2HB TYR 54 -12.527 -11.722 -5.632 405 2HB TYR 54 1HB TYR 54 -11.995 -13.088 -6.606 406 HD1 TYR 54 HD2 TYR 54 -10.744 -9.683 -5.664 407 HD2 TYR 54 HD1 TYR 54 -9.839 -13.797 -6.267 408 HE1 TYR 54 HE2 TYR 54 -8.424 -9.270 -4.961 409 HE2 TYR 54 HE1 TYR 54 -7.517 -13.394 -5.563 410 HH TYR 54 HH TYR 54 -6.352 -11.576 -4.020 No H/Q in entry = 410 Start of MODEL 41 1 HN PCA 1 HN PCA 1 -10.788 -16.283 3.398 2 HA PCA 1 HA PCA 1 -10.833 -16.307 0.851 3 1HB PCA 1 1HB PCA 1 -10.800 -18.365 -0.088 4 2HB PCA 1 2HB PCA 1 -12.417 -18.706 0.569 5 1HG PCA 1 1HG PCA 1 -9.856 -19.665 1.518 6 2HG PCA 1 2HG PCA 1 -11.465 -20.019 2.176 7 H ASP 2 H ASP 2 -12.223 -14.605 0.992 8 HA ASP 2 HA ASP 2 -15.005 -15.111 1.786 9 1HB ASP 2 2HB ASP 2 -13.585 -13.201 2.771 10 2HB ASP 2 1HB ASP 2 -13.811 -12.406 1.215 11 H LYS 3 H LYS 3 -16.649 -13.771 0.532 12 HA LYS 3 HA LYS 3 -16.385 -14.466 -2.265 13 1HB LYS 3 2HB LYS 3 -18.536 -14.088 -0.407 14 2HB LYS 3 1HB LYS 3 -18.807 -13.032 -1.785 15 1HG LYS 3 2HG LYS 3 -18.138 -15.928 -2.162 16 2HG LYS 3 1HG LYS 3 -19.789 -15.398 -1.835 17 1HD LYS 3 2HD LYS 3 -19.563 -13.832 -3.788 18 2HD LYS 3 1HD LYS 3 -18.035 -14.631 -4.162 19 1HE LYS 3 2HE LYS 3 -20.645 -16.105 -3.893 20 2HE LYS 3 1HE LYS 3 -20.054 -15.465 -5.426 21 1HZ LYS 3 2HZ LYS 3 -17.934 -16.857 -4.443 22 2HZ LYS 3 1HZ LYS 3 -19.254 -17.820 -4.006 23 3HZ LYS 3 3HZ LYS 3 -19.009 -17.404 -5.628 24 H CYS 4 H CYS 4 -17.842 -12.578 -3.541 25 HA CYS 4 HA CYS 4 -16.144 -10.172 -3.342 26 1HB CYS 4 2HB CYS 4 -17.030 -11.853 -5.607 27 2HB CYS 4 1HB CYS 4 -17.048 -10.112 -5.899 28 H LYS 5 H LYS 5 -19.369 -11.374 -4.220 29 HA LYS 5 HA LYS 5 -20.465 -8.673 -3.945 30 1HB LYS 5 2HB LYS 5 -22.425 -9.488 -5.036 31 2HB LYS 5 1HB LYS 5 -21.039 -10.082 -5.934 32 1HG LYS 5 2HG LYS 5 -22.258 -12.001 -5.858 33 2HG LYS 5 1HG LYS 5 -21.354 -12.181 -4.355 34 1HD LYS 5 2HD LYS 5 -23.201 -11.607 -3.039 35 2HD LYS 5 1HD LYS 5 -24.049 -10.850 -4.387 36 1HE LYS 5 2HE LYS 5 -24.997 -13.039 -3.716 37 2HE LYS 5 1HE LYS 5 -24.470 -12.979 -5.397 38 1HZ LYS 5 1HZ LYS 5 -22.872 -14.133 -3.176 39 2HZ LYS 5 3HZ LYS 5 -23.820 -15.037 -4.247 40 3HZ LYS 5 2HZ LYS 5 -22.486 -14.170 -4.823 41 H LYS 6 H LYS 6 -22.103 -8.168 -2.478 42 HA LYS 6 HA LYS 6 -22.992 -10.204 -0.609 43 1HB LYS 6 2HB LYS 6 -21.564 -7.738 0.395 44 2HB LYS 6 1HB LYS 6 -22.243 -9.031 1.373 45 1HG LYS 6 2HG LYS 6 -20.620 -10.593 0.296 46 2HG LYS 6 1HG LYS 6 -19.877 -9.192 -0.478 47 1HD LYS 6 2HD LYS 6 -18.553 -9.279 1.372 48 2HD LYS 6 1HD LYS 6 -19.868 -8.320 2.052 49 1HE LYS 6 2HE LYS 6 -19.654 -11.322 2.248 50 2HE LYS 6 1HE LYS 6 -19.136 -10.199 3.506 51 1HZ LYS 6 3HZ LYS 6 -21.908 -10.395 2.456 52 2HZ LYS 6 2HZ LYS 6 -21.368 -11.112 3.890 53 3HZ LYS 6 1HZ LYS 6 -21.384 -9.427 3.743 54 H VAL 7 H VAL 7 -25.079 -9.936 -0.311 55 HA VAL 7 HA VAL 7 -26.496 -7.655 -1.198 56 HB VAL 7 HB VAL 7 -28.433 -8.776 -0.679 57 1HG1 VAL 7 3HG1 VAL 7 -26.734 -10.207 -1.989 58 2HG1 VAL 7 2HG1 VAL 7 -26.664 -11.181 -0.520 59 3HG1 VAL 7 1HG1 VAL 7 -28.196 -10.975 -1.369 60 1HG2 VAL 7 2HG2 VAL 7 -26.968 -9.817 1.721 61 2HG2 VAL 7 1HG2 VAL 7 -28.466 -8.888 1.646 62 3HG2 VAL 7 3HG2 VAL 7 -28.457 -10.585 1.169 63 H TYR 8 H TYR 8 -27.691 -6.126 0.015 64 HA TYR 8 HA TYR 8 -26.366 -5.351 2.473 65 1HB TYR 8 2HB TYR 8 -27.250 -3.817 0.514 66 2HB TYR 8 1HB TYR 8 -28.766 -3.915 1.403 67 HD1 TYR 8 HD2 TYR 8 -28.076 -3.744 4.166 68 HD2 TYR 8 HD1 TYR 8 -26.249 -1.770 0.870 69 HE1 TYR 8 HE2 TYR 8 -27.311 -1.959 5.670 70 HE2 TYR 8 HE1 TYR 8 -25.476 0.020 2.367 71 HH TYR 8 HH TYR 8 -26.175 -0.064 5.850 72 H GLU 9 H GLU 9 -27.041 -7.159 3.755 73 HA GLU 9 HA GLU 9 -29.717 -7.870 4.183 74 1HB GLU 9 2HB GLU 9 -28.841 -8.813 6.369 75 2HB GLU 9 1HB GLU 9 -28.081 -9.409 4.902 76 1HG GLU 9 2HG GLU 9 -26.217 -7.847 5.259 77 2HG GLU 9 1HG GLU 9 -26.971 -7.320 6.762 78 H ASN 10 H ASN 10 -30.531 -5.649 4.205 79 HA ASN 10 HA ASN 10 -32.001 -4.637 5.933 80 1HB ASN 10 2HB ASN 10 -30.659 -5.161 7.883 81 2HB ASN 10 1HB ASN 10 -29.327 -4.173 7.277 82 1HD2 ASN 10 2HD2 ASN 10 -30.446 -1.440 9.021 83 2HD2 ASN 10 1HD2 ASN 10 -29.148 -2.440 8.474 84 H TYR 11 H TYR 11 -32.608 -3.202 4.424 85 HA TYR 11 HA TYR 11 -31.530 -0.627 4.383 86 1HB TYR 11 2HB TYR 11 -29.681 -1.686 3.120 87 2HB TYR 11 1HB TYR 11 -30.840 -2.248 1.922 88 HD1 TYR 11 HD2 TYR 11 -29.254 0.758 3.372 89 HD2 TYR 11 HD1 TYR 11 -31.617 -0.808 0.199 90 HE1 TYR 11 HE2 TYR 11 -28.979 2.867 2.136 91 HE2 TYR 11 HE1 TYR 11 -31.350 1.295 -1.047 92 HH TYR 11 HH TYR 11 -29.228 3.326 -0.801 93 HA PRO 12 HA PRO 12 -35.629 -0.366 2.590 94 1HB PRO 12 2HB PRO 12 -35.910 2.290 2.497 95 2HB PRO 12 1HB PRO 12 -35.856 1.430 4.042 96 1HG PRO 12 2HG PRO 12 -33.675 2.930 2.636 97 2HG PRO 12 1HG PRO 12 -34.133 2.973 4.349 98 1HD PRO 12 2HD PRO 12 -32.058 1.477 3.377 99 2HD PRO 12 1HD PRO 12 -32.982 1.052 4.832 100 H VAL 13 H VAL 13 -36.069 -0.775 0.523 101 HA VAL 13 HA VAL 13 -34.427 -0.098 -1.650 102 HB VAL 13 HB VAL 13 -37.357 -0.651 -1.988 103 1HG1 VAL 13 3HG1 VAL 13 -35.788 -0.194 -3.920 104 2HG1 VAL 13 2HG1 VAL 13 -35.004 -1.724 -3.524 105 3HG1 VAL 13 1HG1 VAL 13 -36.702 -1.700 -4.002 106 1HG2 VAL 13 3HG2 VAL 13 -35.263 -2.471 -0.892 107 2HG2 VAL 13 2HG2 VAL 13 -36.966 -2.323 -0.457 108 3HG2 VAL 13 1HG2 VAL 13 -36.506 -3.130 -1.956 109 H SER 14 H SER 14 -34.821 2.277 -0.289 110 HA SER 14 HA SER 14 -36.868 3.917 -1.286 111 1HB SER 14 2HB SER 14 -35.257 5.800 -0.630 112 2HB SER 14 1HB SER 14 -35.738 4.682 0.646 113 HG SER 14 HG SER 14 -33.682 4.385 0.905 114 H LYS 15 H LYS 15 -33.964 5.478 -1.921 115 HA LYS 15 HA LYS 15 -34.630 5.979 -4.625 116 1HB LYS 15 2HB LYS 15 -32.065 6.495 -3.111 117 2HB LYS 15 1HB LYS 15 -32.419 7.117 -4.718 118 1HG LYS 15 2HG LYS 15 -34.588 8.012 -3.424 119 2HG LYS 15 1HG LYS 15 -33.447 7.972 -2.079 120 1HD LYS 15 2HD LYS 15 -31.915 9.406 -3.276 121 2HD LYS 15 1HD LYS 15 -32.933 9.349 -4.716 122 1HE LYS 15 2HE LYS 15 -34.319 10.254 -2.284 123 2HE LYS 15 1HE LYS 15 -33.019 11.317 -2.822 124 1HZ LYS 15 3HZ LYS 15 -34.967 10.349 -4.794 125 2HZ LYS 15 2HZ LYS 15 -35.419 11.596 -3.744 126 3HZ LYS 15 1HZ LYS 15 -34.087 11.795 -4.769 127 H CYS 16 H CYS 16 -34.106 3.118 -3.824 128 HA CYS 16 HA CYS 16 -31.717 2.267 -5.069 129 1HB CYS 16 2HB CYS 16 -33.856 1.052 -3.661 130 2HB CYS 16 1HB CYS 16 -33.735 0.211 -5.201 131 H GLN 17 H GLN 17 -34.841 3.122 -6.280 132 HA GLN 17 HA GLN 17 -34.723 1.761 -8.758 133 1HB GLN 17 2HB GLN 17 -36.227 4.256 -7.951 134 2HB GLN 17 1HB GLN 17 -36.483 3.381 -9.455 135 1HG GLN 17 2HG GLN 17 -37.204 1.425 -8.229 136 2HG GLN 17 1HG GLN 17 -36.869 2.235 -6.699 137 1HE2 GLN 17 2HE2 GLN 17 -39.875 3.961 -6.586 138 2HE2 GLN 17 1HE2 GLN 17 -38.335 3.638 -5.872 139 H LEU 18 H LEU 18 -32.476 3.687 -7.754 140 HA LEU 18 HA LEU 18 -31.652 4.517 -10.373 141 1HB LEU 18 2HB LEU 18 -32.574 6.538 -8.351 142 2HB LEU 18 1HB LEU 18 -31.320 6.950 -9.500 143 HG LEU 18 HG LEU 18 -34.186 6.228 -10.114 144 1HD1 LEU 18 2HD1 LEU 18 -33.489 8.550 -9.291 145 2HD1 LEU 18 1HD1 LEU 18 -32.722 8.724 -10.869 146 3HD1 LEU 18 3HD1 LEU 18 -34.459 8.438 -10.760 147 1HD2 LEU 18 2HD2 LEU 18 -31.787 6.414 -11.892 148 2HD2 LEU 18 1HD2 LEU 18 -33.116 5.256 -11.926 149 3HD2 LEU 18 3HD2 LEU 18 -33.371 6.905 -12.492 150 H ALA 19 H ALA 19 -29.529 4.224 -10.441 151 HA ALA 19 HA ALA 19 -27.963 3.467 -8.273 152 1HB ALA 19 2HB ALA 19 -27.382 2.988 -10.605 153 2HB ALA 19 1HB ALA 19 -27.030 4.697 -10.860 154 3HB ALA 19 3HB ALA 19 -26.046 3.753 -9.743 155 H ASN 20 H ASN 20 -27.640 4.710 -6.525 156 HA ASN 20 HA ASN 20 -26.015 7.004 -6.662 157 1HB ASN 20 2HB ASN 20 -28.121 8.003 -7.521 158 2HB ASN 20 1HB ASN 20 -28.911 7.576 -6.008 159 1HD2 ASN 20 2HD2 ASN 20 -26.011 9.930 -4.779 160 2HD2 ASN 20 1HD2 ASN 20 -25.872 8.244 -5.131 161 H GLN 21 H GLN 21 -28.728 6.845 -4.442 162 HA GLN 21 HA GLN 21 -27.339 7.090 -2.115 163 1HB GLN 21 2HB GLN 21 -29.893 6.998 -2.570 164 2HB GLN 21 1HB GLN 21 -29.731 5.278 -2.241 165 1HG GLN 21 2HG GLN 21 -30.074 5.821 -0.095 166 2HG GLN 21 1HG GLN 21 -28.416 6.417 -0.112 167 1HE2 GLN 21 2HE2 GLN 21 -29.354 9.843 -0.252 168 2HE2 GLN 21 1HE2 GLN 21 -28.160 8.715 -0.788 169 H CYS 22 H CYS 22 -28.601 3.949 -3.237 170 HA CYS 22 HA CYS 22 -27.217 2.369 -1.421 171 1HB CYS 22 2HB CYS 22 -29.107 1.637 -2.888 172 2HB CYS 22 1HB CYS 22 -27.978 1.580 -4.238 173 H ASN 23 H ASN 23 -26.335 3.088 -4.798 174 HA ASN 23 HA ASN 23 -23.953 1.705 -4.929 175 1HB ASN 23 2HB ASN 23 -25.177 2.999 -6.772 176 2HB ASN 23 1HB ASN 23 -24.313 4.419 -6.190 177 1HD2 ASN 23 2HD2 ASN 23 -22.466 2.753 -8.977 178 2HD2 ASN 23 1HD2 ASN 23 -24.099 3.279 -8.772 179 H TYR 24 H TYR 24 -24.014 5.244 -4.552 180 HA TYR 24 HA TYR 24 -21.432 5.589 -3.709 181 1HB TYR 24 2HB TYR 24 -22.201 7.696 -3.869 182 2HB TYR 24 1HB TYR 24 -23.864 7.154 -3.698 183 HD1 TYR 24 HD1 TYR 24 -20.909 7.355 -1.427 184 HD2 TYR 24 HD2 TYR 24 -25.003 8.314 -2.071 185 HE1 TYR 24 HE1 TYR 24 -21.003 8.403 0.787 186 HE2 TYR 24 HE2 TYR 24 -25.110 9.372 0.147 187 HH TYR 24 HH TYR 24 -23.380 10.463 1.754 188 H ASP 25 H ASP 25 -24.251 4.880 -1.668 189 HA ASP 25 HA ASP 25 -23.019 5.086 0.811 190 1HB ASP 25 2HB ASP 25 -25.293 3.349 -0.134 191 2HB ASP 25 1HB ASP 25 -24.766 3.374 1.546 192 H CYS 26 H CYS 26 -23.800 1.896 -0.587 193 HA CYS 26 HA CYS 26 -22.045 0.486 1.015 194 1HB CYS 26 2HB CYS 26 -23.600 -0.061 -1.368 195 2HB CYS 26 1HB CYS 26 -22.064 -0.923 -1.413 196 H LYS 27 H LYS 27 -21.431 2.238 -1.954 197 HA LYS 27 HA LYS 27 -18.882 1.251 -2.538 198 1HB LYS 27 2HB LYS 27 -20.223 2.679 -4.053 199 2HB LYS 27 1HB LYS 27 -19.900 4.055 -3.007 200 1HG LYS 27 2HG LYS 27 -17.809 4.340 -3.808 201 2HG LYS 27 1HG LYS 27 -17.506 2.605 -3.906 202 1HD LYS 27 2HD LYS 27 -18.695 2.450 -5.982 203 2HD LYS 27 1HD LYS 27 -19.250 4.119 -5.848 204 1HE LYS 27 2HE LYS 27 -17.255 4.976 -6.530 205 2HE LYS 27 1HE LYS 27 -16.321 3.682 -5.781 206 1HZ LYS 27 1HZ LYS 27 -17.312 2.235 -7.624 207 2HZ LYS 27 3HZ LYS 27 -17.678 3.695 -8.400 208 3HZ LYS 27 2HZ LYS 27 -16.072 3.309 -8.039 209 H LEU 28 H LEU 28 -19.765 2.610 0.309 210 HA LEU 28 HA LEU 28 -17.033 3.108 1.047 211 1HB LEU 28 2HB LEU 28 -17.459 5.235 0.030 212 2HB LEU 28 1HB LEU 28 -18.974 5.405 0.896 213 HG LEU 28 HG LEU 28 -17.690 5.527 3.028 214 1HD1 LEU 28 3HD1 LEU 28 -15.374 5.375 1.125 215 2HD1 LEU 28 2HD1 LEU 28 -15.230 6.109 2.721 216 3HD1 LEU 28 1HD1 LEU 28 -15.681 4.411 2.569 217 1HD2 LEU 28 2HD2 LEU 28 -17.305 7.521 0.831 218 2HD2 LEU 28 1HD2 LEU 28 -18.349 7.610 2.249 219 3HD2 LEU 28 3HD2 LEU 28 -16.603 7.797 2.425 220 H ASP 29 H ASP 29 -20.433 3.075 1.871 221 HA ASP 29 HA ASP 29 -20.079 3.373 4.679 222 1HB ASP 29 2HB ASP 29 -22.322 2.545 2.892 223 2HB ASP 29 1HB ASP 29 -22.440 2.154 4.605 224 H LYS 30 H LYS 30 -20.580 0.541 2.586 225 HA LYS 30 HA LYS 30 -19.891 -1.220 4.832 226 1HB LYS 30 2HB LYS 30 -21.307 -1.612 2.221 227 2HB LYS 30 1HB LYS 30 -20.570 -2.992 3.019 228 1HG LYS 30 2HG LYS 30 -22.532 -1.172 4.385 229 2HG LYS 30 1HG LYS 30 -23.014 -2.611 3.485 230 1HD LYS 30 2HD LYS 30 -21.275 -3.815 5.009 231 2HD LYS 30 1HD LYS 30 -21.473 -2.398 6.043 232 1HE LYS 30 2HE LYS 30 -23.585 -4.358 5.166 233 2HE LYS 30 1HE LYS 30 -23.001 -4.062 6.804 234 1HZ LYS 30 1HZ LYS 30 -23.846 -1.636 6.159 235 2HZ LYS 30 3HZ LYS 30 -24.904 -2.550 5.206 236 3HZ LYS 30 2HZ LYS 30 -24.847 -2.794 6.878 237 H HIS 31 H HIS 31 -18.051 0.465 3.033 238 HA HIS 31 HA HIS 31 -15.999 0.287 2.068 239 1HB HIS 31 2HB HIS 31 -15.626 -2.429 3.270 240 2HB HIS 31 1HB HIS 31 -14.481 -1.099 3.138 241 HD1 HIS 31 HD1 HIS 31 -15.574 -2.826 5.742 242 HD2 HIS 31 HD2 HIS 31 -16.225 1.163 4.781 243 HE1 HIS 31 HE1 HIS 31 -16.112 -1.690 7.920 244 HE2 HIS 31 HE2 HIS 31 -16.578 0.707 7.303 245 H ALA 32 H ALA 32 -18.047 -0.439 0.394 246 HA ALA 32 HA ALA 32 -17.376 -2.961 -0.880 247 1HB ALA 32 1HB ALA 32 -19.739 -1.976 -0.594 248 2HB ALA 32 3HB ALA 32 -19.323 -0.963 -1.977 249 3HB ALA 32 2HB ALA 32 -19.322 -2.719 -2.138 250 H ARG 33 H ARG 33 -17.944 -2.226 -3.547 251 HA ARG 33 HA ARG 33 -15.802 -0.378 -4.289 252 1HB ARG 33 2HB ARG 33 -14.970 -2.767 -4.255 253 2HB ARG 33 1HB ARG 33 -16.119 -3.109 -5.541 254 1HG ARG 33 2HG ARG 33 -14.995 -1.740 -7.063 255 2HG ARG 33 1HG ARG 33 -14.076 -0.937 -5.792 256 1HD ARG 33 2HD ARG 33 -13.759 -3.759 -6.795 257 2HD ARG 33 1HD ARG 33 -12.595 -2.439 -6.904 258 HE ARG 33 HE ARG 33 -12.999 -4.189 -4.689 259 1HH1 ARG 33 1HH2 ARG 33 -12.075 -0.948 -5.569 260 2HH1 ARG 33 2HH2 ARG 33 -11.125 -0.692 -4.143 261 1HH2 ARG 33 2HH1 ARG 33 -11.757 -3.861 -2.804 262 2HH2 ARG 33 1HH1 ARG 33 -10.948 -2.348 -2.568 263 H SER 34 H SER 34 -18.763 -2.031 -4.991 264 HA SER 34 HA SER 34 -19.820 0.008 -6.582 265 1HB SER 34 2HB SER 34 -19.519 -0.624 -8.769 266 2HB SER 34 1HB SER 34 -18.014 -1.261 -8.106 267 HG SER 34 HG SER 34 -20.401 -2.776 -8.331 268 H GLY 35 H GLY 35 -21.927 -0.171 -6.149 269 1HA GLY 35 2HA GLY 35 -23.050 -2.896 -5.836 270 2HA GLY 35 1HA GLY 35 -23.552 -1.523 -4.864 271 H GLU 36 H GLU 36 -25.556 -2.727 -5.849 272 HA GLU 36 HA GLU 36 -26.884 -0.910 -7.501 273 1HB GLU 36 2HB GLU 36 -25.339 -2.944 -8.902 274 2HB GLU 36 1HB GLU 36 -27.045 -3.049 -9.307 275 1HG GLU 36 2HG GLU 36 -25.761 -0.370 -9.380 276 2HG GLU 36 1HG GLU 36 -25.382 -1.518 -10.663 277 H CYS 37 H CYS 37 -29.095 -1.363 -7.605 278 HA CYS 37 HA CYS 37 -29.952 -3.458 -5.795 279 1HB CYS 37 2HB CYS 37 -31.795 -1.545 -7.192 280 2HB CYS 37 1HB CYS 37 -31.997 -2.325 -5.625 281 H PHE 38 H PHE 38 -30.917 -5.308 -6.333 282 HA PHE 38 HA PHE 38 -32.087 -5.614 -8.991 283 1HB PHE 38 2HB PHE 38 -29.803 -7.309 -7.969 284 2HB PHE 38 1HB PHE 38 -30.837 -7.785 -9.308 285 HD1 PHE 38 HD1 PHE 38 -31.105 -5.764 -11.106 286 HD2 PHE 38 HD2 PHE 38 -27.770 -6.448 -8.554 287 HE1 PHE 38 HE1 PHE 38 -29.657 -4.543 -12.676 288 HE2 PHE 38 HE2 PHE 38 -26.318 -5.226 -10.116 289 HZ PHE 38 HZ PHE 38 -27.261 -4.271 -12.182 290 H TYR 39 H TYR 39 -33.037 -7.886 -9.217 291 HA TYR 39 HA TYR 39 -34.627 -8.396 -6.847 292 1HB TYR 39 2HB TYR 39 -34.761 -9.576 -9.626 293 2HB TYR 39 1HB TYR 39 -35.906 -9.914 -8.332 294 HD1 TYR 39 HD1 TYR 39 -34.654 -7.310 -10.620 295 HD2 TYR 39 HD2 TYR 39 -37.639 -8.363 -7.779 296 HE1 TYR 39 HE1 TYR 39 -35.975 -5.346 -11.290 297 HE2 TYR 39 HE2 TYR 39 -38.970 -6.404 -8.441 298 HH TYR 39 HH TYR 39 -39.060 -4.942 -10.783 299 H ASP 40 H ASP 40 -34.462 -10.146 -5.537 300 HA ASP 40 HA ASP 40 -32.758 -12.377 -6.337 301 1HB ASP 40 2HB ASP 40 -31.746 -12.254 -3.968 302 2HB ASP 40 1HB ASP 40 -31.120 -11.174 -5.211 303 H GLU 41 H GLU 41 -33.874 -11.563 -3.182 304 HA GLU 41 HA GLU 41 -34.820 -14.114 -2.690 305 1HB GLU 41 2HB GLU 41 -34.614 -11.661 -1.244 306 2HB GLU 41 1HB GLU 41 -36.228 -12.299 -0.975 307 1HG GLU 41 2HG GLU 41 -34.882 -13.144 0.753 308 2HG GLU 41 1HG GLU 41 -35.145 -14.483 -0.362 309 H LYS 42 H LYS 42 -35.985 -14.354 -4.757 310 HA LYS 42 HA LYS 42 -37.877 -14.584 -5.980 311 1HB LYS 42 2HB LYS 42 -38.586 -14.983 -3.181 312 2HB LYS 42 1HB LYS 42 -39.969 -14.476 -4.141 313 1HG LYS 42 2HG LYS 42 -39.876 -16.870 -4.084 314 2HG LYS 42 1HG LYS 42 -39.505 -16.317 -5.718 315 1HD LYS 42 2HD LYS 42 -37.041 -16.471 -4.982 316 2HD LYS 42 1HD LYS 42 -37.652 -17.447 -3.645 317 1HE LYS 42 2HE LYS 42 -38.776 -18.904 -5.348 318 2HE LYS 42 1HE LYS 42 -37.915 -18.004 -6.595 319 1HZ LYS 42 3HZ LYS 42 -36.243 -19.023 -4.468 320 2HZ LYS 42 2HZ LYS 42 -36.986 -20.220 -5.404 321 3HZ LYS 42 1HZ LYS 42 -36.006 -19.057 -6.144 322 H ARG 43 H ARG 43 -37.667 -12.597 -7.067 323 HA ARG 43 HA ARG 43 -38.373 -10.588 -7.852 324 1HB ARG 43 2HB ARG 43 -40.914 -10.859 -6.295 325 2HB ARG 43 1HB ARG 43 -40.665 -10.225 -7.916 326 1HG ARG 43 2HG ARG 43 -40.476 -13.127 -7.126 327 2HG ARG 43 1HG ARG 43 -41.845 -12.364 -7.932 328 1HD ARG 43 2HD ARG 43 -40.687 -13.331 -9.690 329 2HD ARG 43 1HD ARG 43 -40.113 -11.666 -9.714 330 HE ARG 43 HE ARG 43 -38.161 -12.590 -8.377 331 1HH1 ARG 43 1HH2 ARG 43 -39.927 -14.495 -10.710 332 2HH1 ARG 43 2HH2 ARG 43 -38.581 -15.519 -11.078 333 1HH2 ARG 43 2HH1 ARG 43 -36.390 -13.934 -8.863 334 2HH2 ARG 43 1HH1 ARG 43 -36.571 -15.198 -10.032 335 H ASN 44 H ASN 44 -37.194 -10.834 -5.028 336 HA ASN 44 HA ASN 44 -38.240 -8.386 -3.812 337 1HB ASN 44 2HB ASN 44 -36.417 -10.582 -2.879 338 2HB ASN 44 1HB ASN 44 -36.416 -9.026 -2.053 339 1HD2 ASN 44 2HD2 ASN 44 -39.947 -11.104 -2.035 340 2HD2 ASN 44 1HD2 ASN 44 -38.988 -11.022 -3.469 341 H LEU 45 H LEU 45 -37.393 -6.504 -4.438 342 HA LEU 45 HA LEU 45 -34.846 -6.406 -5.788 343 1HB LEU 45 2HB LEU 45 -36.762 -5.075 -6.553 344 2HB LEU 45 1HB LEU 45 -36.745 -4.187 -5.040 345 HG LEU 45 HG LEU 45 -34.640 -3.165 -5.575 346 1HD1 LEU 45 1HD1 LEU 45 -34.582 -5.205 -7.754 347 2HD1 LEU 45 3HD1 LEU 45 -33.721 -3.679 -7.953 348 3HD1 LEU 45 2HD1 LEU 45 -33.321 -4.748 -6.608 349 1HD2 LEU 45 1HD2 LEU 45 -36.679 -2.187 -6.568 350 2HD2 LEU 45 3HD2 LEU 45 -35.234 -1.884 -7.531 351 3HD2 LEU 45 2HD2 LEU 45 -36.384 -3.123 -8.033 352 H GLN 46 H GLN 46 -33.266 -6.865 -4.303 353 HA GLN 46 HA GLN 46 -33.044 -5.129 -1.944 354 1HB GLN 46 2HB GLN 46 -31.886 -7.799 -2.664 355 2HB GLN 46 1HB GLN 46 -31.118 -6.808 -1.432 356 1HG GLN 46 2HG GLN 46 -33.984 -7.727 -1.386 357 2HG GLN 46 1HG GLN 46 -32.658 -8.466 -0.490 358 1HE2 GLN 46 2HE2 GLN 46 -32.779 -6.218 2.138 359 2HE2 GLN 46 1HE2 GLN 46 -32.087 -7.635 1.432 360 H CYS 47 H CYS 47 -30.530 -4.900 -1.364 361 HA CYS 47 HA CYS 47 -29.339 -3.487 -3.647 362 1HB CYS 47 2HB CYS 47 -29.589 -2.909 -0.799 363 2HB CYS 47 1HB CYS 47 -27.942 -2.694 -1.382 364 H ILE 48 H ILE 48 -27.984 -4.818 -4.689 365 HA ILE 48 HA ILE 48 -26.271 -6.655 -3.221 366 HB ILE 48 HB ILE 48 -26.487 -6.185 -6.202 367 1HG1 ILE 48 2HG1 ILE 48 -27.799 -8.279 -6.218 368 2HG1 ILE 48 1HG1 ILE 48 -27.709 -8.346 -4.463 369 1HG2 ILE 48 1HG2 ILE 48 -24.417 -7.419 -4.898 370 2HG2 ILE 48 3HG2 ILE 48 -25.489 -8.777 -5.226 371 3HG2 ILE 48 2HG2 ILE 48 -24.915 -7.767 -6.550 372 1HD1 ILE 48 2HD1 ILE 48 -28.861 -5.918 -5.727 373 2HD1 ILE 48 1HD1 ILE 48 -29.817 -7.398 -5.695 374 3HD1 ILE 48 3HD1 ILE 48 -29.246 -6.688 -4.187 375 H CYS 49 H CYS 49 -24.483 -5.809 -2.332 376 HA CYS 49 HA CYS 49 -23.104 -3.604 -3.687 377 1HB CYS 49 2HB CYS 49 -22.531 -4.748 -0.952 378 2HB CYS 49 1HB CYS 49 -21.978 -3.207 -1.605 379 H ASP 50 H ASP 50 -21.433 -4.018 -4.968 380 HA ASP 50 HA ASP 50 -20.048 -6.586 -4.740 381 1HB ASP 50 2HB ASP 50 -20.935 -5.319 -6.952 382 2HB ASP 50 1HB ASP 50 -19.294 -4.684 -6.895 383 H TYR 51 H TYR 51 -17.986 -6.829 -4.212 384 HA TYR 51 HA TYR 51 -16.558 -4.459 -3.221 385 1HB TYR 51 2HB TYR 51 -16.378 -7.395 -2.581 386 2HB TYR 51 1HB TYR 51 -15.170 -6.239 -2.031 387 HD1 TYR 51 HD1 TYR 51 -18.913 -6.406 -2.118 388 HD2 TYR 51 HD2 TYR 51 -15.415 -5.627 0.175 389 HE1 TYR 51 HE1 TYR 51 -20.315 -5.902 -0.165 390 HE2 TYR 51 HE2 TYR 51 -16.809 -5.123 2.139 391 HH TYR 51 HH TYR 51 -20.357 -5.236 1.951 392 H CYS 52 H CYS 52 -16.566 -6.835 -5.662 393 HA CYS 52 HA CYS 52 -13.778 -6.225 -6.395 394 1HB CYS 52 2HB CYS 52 -15.425 -8.603 -7.272 395 2HB CYS 52 1HB CYS 52 -13.698 -8.357 -7.509 396 H GLU 53 H GLU 53 -15.324 -7.854 -8.819 397 HA GLU 53 HA GLU 53 -16.918 -6.113 -10.195 398 1HB GLU 53 2HB GLU 53 -15.217 -5.173 -11.869 399 2HB GLU 53 1HB GLU 53 -15.338 -4.382 -10.309 400 1HG GLU 53 2HG GLU 53 -13.379 -6.097 -9.733 401 2HG GLU 53 1HG GLU 53 -13.126 -5.971 -11.470 402 H TYR 54 HN TYR 54 -13.894 -7.837 -10.978 403 HA TYR 54 HA TYR 54 -15.433 -9.770 -12.535 404 1HB TYR 54 2HB TYR 54 -13.419 -7.863 -13.634 405 2HB TYR 54 1HB TYR 54 -13.439 -9.501 -14.281 406 HD1 TYR 54 HD1 TYR 54 -15.612 -6.545 -13.678 407 HD2 TYR 54 HD2 TYR 54 -14.996 -10.113 -15.911 408 HE1 TYR 54 HE1 TYR 54 -17.485 -5.940 -15.150 409 HE2 TYR 54 HE2 TYR 54 -16.867 -9.517 -17.390 410 HH TYR 54 HH TYR 54 -19.162 -7.660 -16.795 No H/Q in entry = 410 Start of MODEL 42 1 HN PCA 1 HN PCA 1 -9.829 -15.346 -2.723 2 HA PCA 1 HA PCA 1 -11.407 -13.409 -2.310 3 1HB PCA 1 1HB PCA 1 -11.198 -11.730 -3.812 4 2HB PCA 1 2HB PCA 1 -12.008 -12.743 -5.030 5 1HG PCA 1 1HG PCA 1 -9.228 -12.045 -4.899 6 2HG PCA 1 2HG PCA 1 -10.002 -13.166 -6.035 7 H ASP 2 H ASP 2 -13.065 -14.654 -1.699 8 HA ASP 2 HA ASP 2 -14.188 -16.645 -3.474 9 1HB ASP 2 2HB ASP 2 -14.669 -15.870 -0.609 10 2HB ASP 2 1HB ASP 2 -15.785 -16.941 -1.450 11 H LYS 3 H LYS 3 -16.408 -15.070 -1.385 12 HA LYS 3 HA LYS 3 -18.396 -14.682 -3.225 13 1HB LYS 3 2HB LYS 3 -17.763 -13.200 -0.683 14 2HB LYS 3 1HB LYS 3 -19.197 -12.833 -1.632 15 1HG LYS 3 2HG LYS 3 -20.130 -14.950 -1.246 16 2HG LYS 3 1HG LYS 3 -18.596 -15.613 -0.678 17 1HD LYS 3 2HD LYS 3 -18.710 -14.045 1.256 18 2HD LYS 3 1HD LYS 3 -20.322 -13.570 0.714 19 1HE LYS 3 2HE LYS 3 -19.393 -16.202 1.804 20 2HE LYS 3 1HE LYS 3 -20.737 -15.193 2.335 21 1HZ LYS 3 3HZ LYS 3 -21.875 -15.723 0.244 22 2HZ LYS 3 2HZ LYS 3 -20.605 -16.753 -0.187 23 3HZ LYS 3 1HZ LYS 3 -21.559 -17.109 1.163 24 H CYS 4 H CYS 4 -19.303 -12.692 -4.129 25 HA CYS 4 HA CYS 4 -17.315 -10.621 -4.748 26 1HB CYS 4 2HB CYS 4 -18.238 -12.581 -6.586 27 2HB CYS 4 1HB CYS 4 -18.965 -11.051 -7.063 28 H LYS 5 H LYS 5 -20.371 -11.442 -3.702 29 HA LYS 5 HA LYS 5 -21.220 -8.662 -3.819 30 1HB LYS 5 2HB LYS 5 -23.565 -9.498 -4.481 31 2HB LYS 5 1HB LYS 5 -22.354 -9.331 -5.743 32 1HG LYS 5 2HG LYS 5 -23.427 -11.366 -6.168 33 2HG LYS 5 1HG LYS 5 -21.881 -11.795 -5.441 34 1HD LYS 5 2HD LYS 5 -23.919 -11.463 -3.400 35 2HD LYS 5 1HD LYS 5 -24.444 -12.623 -4.617 36 1HE LYS 5 2HE LYS 5 -21.698 -12.814 -3.436 37 2HE LYS 5 1HE LYS 5 -23.092 -13.433 -2.555 38 1HZ LYS 5 1HZ LYS 5 -23.611 -14.689 -4.689 39 2HZ LYS 5 3HZ LYS 5 -22.026 -14.330 -5.161 40 3HZ LYS 5 2HZ LYS 5 -22.306 -15.242 -3.766 41 H LYS 6 H LYS 6 -22.603 -8.052 -2.164 42 HA LYS 6 HA LYS 6 -23.570 -10.105 -0.338 43 1HB LYS 6 2HB LYS 6 -21.675 -9.856 0.889 44 2HB LYS 6 1HB LYS 6 -21.315 -8.280 0.207 45 1HG LYS 6 2HG LYS 6 -22.808 -7.200 1.716 46 2HG LYS 6 1HG LYS 6 -23.441 -8.749 2.281 47 1HD LYS 6 2HD LYS 6 -21.089 -9.286 3.043 48 2HD LYS 6 1HD LYS 6 -20.693 -7.598 2.720 49 1HE LYS 6 2HE LYS 6 -21.287 -8.136 5.104 50 2HE LYS 6 1HE LYS 6 -22.215 -6.832 4.364 51 1HZ LYS 6 3HZ LYS 6 -23.162 -9.638 4.536 52 2HZ LYS 6 2HZ LYS 6 -23.561 -8.440 5.661 53 3HZ LYS 6 1HZ LYS 6 -24.055 -8.285 4.051 54 H VAL 7 H VAL 7 -25.610 -9.665 0.003 55 HA VAL 7 HA VAL 7 -26.849 -7.229 -0.622 56 HB VAL 7 HB VAL 7 -28.818 -8.268 -0.232 57 1HG1 VAL 7 3HG1 VAL 7 -27.153 -9.864 -1.365 58 2HG1 VAL 7 2HG1 VAL 7 -27.236 -10.770 0.148 59 3HG1 VAL 7 1HG1 VAL 7 -28.698 -10.505 -0.802 60 1HG2 VAL 7 2HG2 VAL 7 -27.572 -9.302 2.296 61 2HG2 VAL 7 1HG2 VAL 7 -28.963 -8.234 2.098 62 3HG2 VAL 7 3HG2 VAL 7 -29.100 -9.946 1.698 63 H TYR 8 H TYR 8 -27.620 -5.552 0.585 64 HA TYR 8 HA TYR 8 -26.145 -4.885 2.900 65 1HB TYR 8 2HB TYR 8 -27.573 -3.420 1.185 66 2HB TYR 8 1HB TYR 8 -28.793 -3.597 2.443 67 HD1 TYR 8 HD2 TYR 8 -26.853 -3.649 4.799 68 HD2 TYR 8 HD1 TYR 8 -27.166 -1.083 1.421 69 HE1 TYR 8 HE2 TYR 8 -25.794 -1.841 6.085 70 HE2 TYR 8 HE1 TYR 8 -26.104 0.734 2.695 71 HH TYR 8 HH TYR 8 -25.379 0.392 6.122 72 H GLU 9 H GLU 9 -26.306 -5.947 4.758 73 HA GLU 9 HA GLU 9 -28.434 -7.602 5.474 74 1HB GLU 9 2HB GLU 9 -26.477 -6.300 7.374 75 2HB GLU 9 1HB GLU 9 -27.377 -7.787 7.636 76 1HG GLU 9 2HG GLU 9 -26.161 -8.760 5.675 77 2HG GLU 9 1HG GLU 9 -25.148 -7.316 5.677 78 H ASN 10 H ASN 10 -28.698 -4.430 5.112 79 HA ASN 10 HA ASN 10 -31.138 -4.114 6.330 80 1HB ASN 10 2HB ASN 10 -30.383 -2.521 8.236 81 2HB ASN 10 1HB ASN 10 -30.342 -4.258 8.520 82 1HD2 ASN 10 2HD2 ASN 10 -27.166 -2.466 9.542 83 2HD2 ASN 10 1HD2 ASN 10 -28.833 -2.064 9.752 84 H TYR 11 H TYR 11 -32.009 -2.527 5.230 85 HA TYR 11 HA TYR 11 -31.030 0.079 5.031 86 1HB TYR 11 2HB TYR 11 -29.410 -1.217 3.481 87 2HB TYR 11 1HB TYR 11 -30.779 -1.325 2.382 88 HD1 TYR 11 HD2 TYR 11 -28.648 1.100 4.217 89 HD2 TYR 11 HD1 TYR 11 -31.309 0.465 0.959 90 HE1 TYR 11 HE2 TYR 11 -28.124 3.342 3.359 91 HE2 TYR 11 HE1 TYR 11 -30.791 2.707 0.092 92 HH TYR 11 HH TYR 11 -29.244 4.429 0.244 93 HA PRO 12 HA PRO 12 -35.489 0.333 4.334 94 1HB PRO 12 2HB PRO 12 -34.619 2.898 3.056 95 2HB PRO 12 1HB PRO 12 -35.953 2.597 4.176 96 1HG PRO 12 2HG PRO 12 -33.674 3.691 5.016 97 2HG PRO 12 1HG PRO 12 -34.567 2.535 6.022 98 1HD PRO 12 2HD PRO 12 -32.027 2.180 4.529 99 2HD PRO 12 1HD PRO 12 -32.607 1.361 5.993 100 H VAL 13 H VAL 13 -35.054 -1.440 2.686 101 HA VAL 13 HA VAL 13 -34.500 -0.909 0.000 102 HB VAL 13 HB VAL 13 -34.410 -3.153 0.609 103 1HG1 VAL 13 2HG1 VAL 13 -37.168 -2.786 1.743 104 2HG1 VAL 13 1HG1 VAL 13 -36.443 -4.374 1.490 105 3HG1 VAL 13 3HG1 VAL 13 -35.686 -3.223 2.592 106 1HG2 VAL 13 1HG2 VAL 13 -35.527 -2.639 -1.612 107 2HG2 VAL 13 3HG2 VAL 13 -35.750 -4.265 -0.967 108 3HG2 VAL 13 2HG2 VAL 13 -37.045 -3.077 -0.827 109 H SER 14 H SER 14 -35.542 0.785 -0.877 110 HA SER 14 HA SER 14 -38.085 0.420 -1.984 111 1HB SER 14 2HB SER 14 -38.892 2.614 -0.487 112 2HB SER 14 1HB SER 14 -39.413 0.951 -0.228 113 HG SER 14 HG SER 14 -37.161 2.176 0.993 114 H LYS 15 H LYS 15 -36.197 3.123 -0.613 115 HA LYS 15 HA LYS 15 -36.697 4.860 -2.791 116 1HB LYS 15 2HB LYS 15 -35.752 5.234 -0.299 117 2HB LYS 15 1HB LYS 15 -34.229 5.258 -1.178 118 1HG LYS 15 2HG LYS 15 -34.907 7.118 -2.478 119 2HG LYS 15 1HG LYS 15 -36.579 6.975 -1.938 120 1HD LYS 15 2HD LYS 15 -35.707 7.411 0.407 121 2HD LYS 15 1HD LYS 15 -34.184 7.872 -0.355 122 1HE LYS 15 2HE LYS 15 -35.789 9.760 0.167 123 2HE LYS 15 1HE LYS 15 -35.183 9.686 -1.488 124 1HZ LYS 15 2HZ LYS 15 -37.804 8.601 -0.613 125 2HZ LYS 15 1HZ LYS 15 -37.592 10.110 -1.346 126 3HZ LYS 15 3HZ LYS 15 -37.228 8.695 -2.201 127 H CYS 16 H CYS 16 -35.272 2.074 -3.034 128 HA CYS 16 HA CYS 16 -32.753 2.586 -4.219 129 1HB CYS 16 2HB CYS 16 -34.320 0.318 -3.555 130 2HB CYS 16 1HB CYS 16 -33.918 0.169 -5.262 131 H GLN 17 H GLN 17 -35.241 4.042 -5.257 132 HA GLN 17 HA GLN 17 -35.299 3.190 -8.033 133 1HB GLN 17 2HB GLN 17 -37.026 4.709 -6.272 134 2HB GLN 17 1HB GLN 17 -36.770 5.586 -7.768 135 1HG GLN 17 2HG GLN 17 -37.483 2.702 -7.900 136 2HG GLN 17 1HG GLN 17 -38.733 3.886 -7.527 137 1HE2 GLN 17 2HE2 GLN 17 -39.265 4.465 -10.878 138 2HE2 GLN 17 1HE2 GLN 17 -39.887 4.187 -9.291 139 H LEU 18 H LEU 18 -32.826 3.786 -7.708 140 HA LEU 18 HA LEU 18 -32.377 6.067 -9.385 141 1HB LEU 18 2HB LEU 18 -31.340 6.090 -6.545 142 2HB LEU 18 1HB LEU 18 -30.704 7.107 -7.820 143 HG LEU 18 HG LEU 18 -33.258 7.829 -8.013 144 1HD1 LEU 18 1HD1 LEU 18 -33.469 6.178 -5.831 145 2HD1 LEU 18 3HD1 LEU 18 -33.286 7.765 -5.086 146 3HD1 LEU 18 2HD1 LEU 18 -34.584 7.477 -6.242 147 1HD2 LEU 18 2HD2 LEU 18 -31.122 8.836 -6.174 148 2HD2 LEU 18 1HD2 LEU 18 -31.648 9.481 -7.728 149 3HD2 LEU 18 3HD2 LEU 18 -32.679 9.654 -6.310 150 H ALA 19 H ALA 19 -29.630 5.794 -7.636 151 HA ALA 19 HA ALA 19 -28.464 3.358 -8.220 152 1HB ALA 19 2HB ALA 19 -28.384 5.297 -10.501 153 2HB ALA 19 1HB ALA 19 -27.067 4.152 -10.248 154 3HB ALA 19 3HB ALA 19 -28.707 3.563 -10.525 155 H ASN 20 H ASN 20 -28.464 5.664 -6.415 156 HA ASN 20 HA ASN 20 -25.555 6.075 -6.280 157 1HB ASN 20 2HB ASN 20 -26.576 8.150 -7.077 158 2HB ASN 20 1HB ASN 20 -27.688 8.143 -5.710 159 1HD2 ASN 20 2HD2 ASN 20 -23.800 9.272 -5.224 160 2HD2 ASN 20 1HD2 ASN 20 -24.305 8.393 -6.624 161 H GLN 21 H GLN 21 -28.588 6.398 -4.449 162 HA GLN 21 HA GLN 21 -27.759 6.533 -1.909 163 1HB GLN 21 2HB GLN 21 -29.919 4.720 -2.997 164 2HB GLN 21 1HB GLN 21 -29.704 5.058 -1.286 165 1HG GLN 21 2HG GLN 21 -30.401 7.027 -3.446 166 2HG GLN 21 1HG GLN 21 -31.447 6.447 -2.152 167 1HE2 GLN 21 2HE2 GLN 21 -28.609 9.289 -1.413 168 2HE2 GLN 21 1HE2 GLN 21 -28.528 8.301 -2.826 169 H CYS 22 H CYS 22 -28.701 3.246 -2.771 170 HA CYS 22 HA CYS 22 -26.920 2.077 -0.961 171 1HB CYS 22 2HB CYS 22 -28.656 1.082 -3.154 172 2HB CYS 22 1HB CYS 22 -27.385 -0.001 -2.587 173 H ASN 23 H ASN 23 -26.564 2.778 -4.401 174 HA ASN 23 HA ASN 23 -24.252 1.319 -4.942 175 1HB ASN 23 2HB ASN 23 -25.795 2.805 -6.486 176 2HB ASN 23 1HB ASN 23 -24.584 4.035 -6.136 177 1HD2 ASN 23 2HD2 ASN 23 -23.626 2.261 -9.222 178 2HD2 ASN 23 1HD2 ASN 23 -24.990 3.173 -8.684 179 H TYR 24 H TYR 24 -24.160 4.859 -4.585 180 HA TYR 24 HA TYR 24 -21.471 5.065 -4.068 181 1HB TYR 24 2HB TYR 24 -22.306 7.169 -4.339 182 2HB TYR 24 1HB TYR 24 -23.822 6.785 -3.534 183 HD1 TYR 24 HD2 TYR 24 -20.310 6.609 -2.289 184 HD2 TYR 24 HD1 TYR 24 -24.143 8.421 -1.924 185 HE1 TYR 24 HE2 TYR 24 -19.553 7.790 -0.270 186 HE2 TYR 24 HE1 TYR 24 -23.393 9.610 0.093 187 HH TYR 24 HH TYR 24 -20.232 9.966 0.953 188 H ASP 25 H ASP 25 -24.096 4.528 -1.737 189 HA ASP 25 HA ASP 25 -22.651 4.695 0.614 190 1HB ASP 25 2HB ASP 25 -24.968 2.919 -0.146 191 2HB ASP 25 1HB ASP 25 -24.299 2.943 1.482 192 H CYS 26 H CYS 26 -23.269 1.723 -1.279 193 HA CYS 26 HA CYS 26 -21.625 0.020 0.176 194 1HB CYS 26 2HB CYS 26 -22.236 0.061 -2.790 195 2HB CYS 26 1HB CYS 26 -21.363 -1.243 -2.009 196 H LYS 27 H LYS 27 -20.897 2.139 -2.537 197 HA LYS 27 HA LYS 27 -18.215 1.446 -2.884 198 1HB LYS 27 2HB LYS 27 -20.088 3.252 -4.005 199 2HB LYS 27 1HB LYS 27 -18.655 4.189 -3.619 200 1HG LYS 27 2HG LYS 27 -17.333 3.026 -5.108 201 2HG LYS 27 1HG LYS 27 -18.378 1.605 -5.096 202 1HD LYS 27 2HD LYS 27 -20.075 2.800 -6.349 203 2HD LYS 27 1HD LYS 27 -19.098 4.272 -6.308 204 1HE LYS 27 2HE LYS 27 -17.596 3.482 -7.850 205 2HE LYS 27 1HE LYS 27 -17.875 1.796 -7.419 206 1HZ LYS 27 1HZ LYS 27 -20.101 3.242 -8.630 207 2HZ LYS 27 3HZ LYS 27 -18.798 2.856 -9.640 208 3HZ LYS 27 2HZ LYS 27 -19.626 1.630 -8.820 209 H LEU 28 H LEU 28 -19.290 2.578 -0.042 210 HA LEU 28 HA LEU 28 -16.693 3.467 0.719 211 1HB LEU 28 2HB LEU 28 -18.027 5.451 -0.476 212 2HB LEU 28 1HB LEU 28 -18.634 5.666 1.154 213 HG LEU 28 HG LEU 28 -15.948 5.453 1.623 214 1HD1 LEU 28 1HD1 LEU 28 -15.765 5.494 -0.970 215 2HD1 LEU 28 3HD1 LEU 28 -16.034 7.225 -0.774 216 3HD1 LEU 28 2HD1 LEU 28 -14.654 6.452 0.008 217 1HD2 LEU 28 3HD2 LEU 28 -17.486 7.974 1.006 218 2HD2 LEU 28 2HD2 LEU 28 -17.415 7.150 2.564 219 3HD2 LEU 28 1HD2 LEU 28 -15.962 7.890 1.889 220 H ASP 29 H ASP 29 -20.125 3.333 1.596 221 HA ASP 29 HA ASP 29 -19.718 3.660 4.377 222 1HB ASP 29 2HB ASP 29 -21.980 2.401 2.820 223 2HB ASP 29 1HB ASP 29 -22.004 2.592 4.570 224 H LYS 30 H LYS 30 -18.953 1.105 2.319 225 HA LYS 30 HA LYS 30 -18.368 -0.600 4.616 226 1HB LYS 30 2HB LYS 30 -20.064 -1.422 2.265 227 2HB LYS 30 1HB LYS 30 -19.232 -2.593 3.281 228 1HG LYS 30 2HG LYS 30 -20.434 -1.603 5.244 229 2HG LYS 30 1HG LYS 30 -21.385 -0.661 4.096 230 1HD LYS 30 2HD LYS 30 -22.068 -2.798 3.012 231 2HD LYS 30 1HD LYS 30 -21.235 -3.666 4.303 232 1HE LYS 30 2HE LYS 30 -23.245 -1.597 5.042 233 2HE LYS 30 1HE LYS 30 -23.820 -3.149 4.437 234 1HZ LYS 30 1HZ LYS 30 -21.770 -3.270 6.490 235 2HZ LYS 30 3HZ LYS 30 -23.276 -2.683 6.993 236 3HZ LYS 30 2HZ LYS 30 -23.158 -4.215 6.288 237 H HIS 31 H HIS 31 -17.135 0.997 2.198 238 HA HIS 31 HA HIS 31 -15.295 0.838 0.866 239 1HB HIS 31 2HB HIS 31 -14.356 -1.504 2.488 240 2HB HIS 31 1HB HIS 31 -13.420 -0.176 1.812 241 HD1 HIS 31 HD1 HIS 31 -14.651 -1.369 4.927 242 HD2 HIS 31 HD2 HIS 31 -14.165 2.390 3.226 243 HE1 HIS 31 HE1 HIS 31 -14.663 0.246 6.853 244 HE2 HIS 31 HE2 HIS 31 -14.274 2.506 5.808 245 H ALA 32 H ALA 32 -17.453 -0.388 -0.216 246 HA ALA 32 HA ALA 32 -16.722 -3.056 -1.090 247 1HB ALA 32 1HB ALA 32 -19.085 -2.308 -0.543 248 2HB ALA 32 3HB ALA 32 -19.052 -1.435 -2.075 249 3HB ALA 32 2HB ALA 32 -18.866 -3.189 -2.055 250 H ARG 33 H ARG 33 -17.465 -3.267 -3.623 251 HA ARG 33 HA ARG 33 -15.466 -1.669 -5.048 252 1HB ARG 33 2HB ARG 33 -15.783 -4.314 -5.083 253 2HB ARG 33 1HB ARG 33 -16.947 -3.914 -6.338 254 1HG ARG 33 2HG ARG 33 -14.810 -2.441 -7.139 255 2HG ARG 33 1HG ARG 33 -14.003 -3.813 -6.383 256 1HD ARG 33 2HD ARG 33 -15.903 -5.077 -7.875 257 2HD ARG 33 1HD ARG 33 -15.561 -3.672 -8.880 258 HE ARG 33 HE ARG 33 -13.861 -5.923 -8.413 259 1HH1 ARG 33 1HH2 ARG 33 -13.907 -2.523 -9.165 260 2HH1 ARG 33 2HH2 ARG 33 -12.368 -2.545 -9.961 261 1HH2 ARG 33 2HH1 ARG 33 -11.840 -5.968 -9.467 262 2HH2 ARG 33 1HH1 ARG 33 -11.193 -4.507 -10.134 263 H SER 34 H SER 34 -18.735 -2.946 -5.668 264 HA SER 34 HA SER 34 -19.659 -0.372 -6.598 265 1HB SER 34 2HB SER 34 -19.901 -0.799 -8.857 266 2HB SER 34 1HB SER 34 -18.410 -1.684 -8.535 267 HG SER 34 HG SER 34 -21.033 -2.766 -8.638 268 H GLY 35 H GLY 35 -21.587 -0.249 -5.619 269 1HA GLY 35 2HA GLY 35 -23.174 -2.722 -5.357 270 2HA GLY 35 1HA GLY 35 -23.324 -1.309 -4.323 271 H GLU 36 H GLU 36 -25.521 -2.515 -5.420 272 HA GLU 36 HA GLU 36 -26.847 -0.360 -6.622 273 1HB GLU 36 2HB GLU 36 -25.344 -1.888 -8.470 274 2HB GLU 36 1HB GLU 36 -27.026 -2.317 -8.740 275 1HG GLU 36 2HG GLU 36 -27.620 -0.070 -9.196 276 2HG GLU 36 1HG GLU 36 -26.061 0.527 -8.626 277 H CYS 37 H CYS 37 -29.057 -1.007 -7.406 278 HA CYS 37 HA CYS 37 -30.136 -2.957 -5.545 279 1HB CYS 37 2HB CYS 37 -31.724 -1.262 -7.454 280 2HB CYS 37 1HB CYS 37 -32.229 -1.930 -5.904 281 H PHE 38 H PHE 38 -30.868 -4.926 -6.079 282 HA PHE 38 HA PHE 38 -31.639 -5.515 -8.823 283 1HB PHE 38 2HB PHE 38 -29.427 -7.006 -7.399 284 2HB PHE 38 1HB PHE 38 -30.184 -7.534 -8.898 285 HD1 PHE 38 HD1 PHE 38 -30.232 -5.611 -10.764 286 HD2 PHE 38 HD2 PHE 38 -27.427 -5.908 -7.578 287 HE1 PHE 38 HE1 PHE 38 -28.631 -4.263 -12.056 288 HE2 PHE 38 HE2 PHE 38 -25.820 -4.560 -8.865 289 HZ PHE 38 HZ PHE 38 -26.420 -3.736 -11.107 290 H TYR 39 H TYR 39 -32.655 -7.674 -9.022 291 HA TYR 39 HA TYR 39 -34.224 -8.243 -6.634 292 1HB TYR 39 2HB TYR 39 -34.521 -9.315 -9.445 293 2HB TYR 39 1HB TYR 39 -35.653 -9.567 -8.122 294 HD1 TYR 39 HD1 TYR 39 -34.289 -7.079 -10.471 295 HD2 TYR 39 HD2 TYR 39 -37.236 -7.879 -7.505 296 HE1 TYR 39 HE1 TYR 39 -35.502 -5.046 -11.135 297 HE2 TYR 39 HE2 TYR 39 -38.457 -5.849 -8.166 298 HH TYR 39 HH TYR 39 -37.605 -4.030 -10.998 299 H ASP 40 H ASP 40 -33.546 -9.740 -5.261 300 HA ASP 40 HA ASP 40 -31.480 -11.548 -5.749 301 1HB ASP 40 2HB ASP 40 -32.428 -12.765 -3.702 302 2HB ASP 40 1HB ASP 40 -31.957 -11.083 -3.476 303 H GLU 41 H GLU 41 -32.084 -12.304 -7.807 304 HA GLU 41 HA GLU 41 -33.247 -13.614 -9.287 305 1HB GLU 41 2HB GLU 41 -32.057 -15.413 -7.198 306 2HB GLU 41 1HB GLU 41 -32.785 -16.055 -8.663 307 1HG GLU 41 2HG GLU 41 -31.186 -14.962 -10.035 308 2HG GLU 41 1HG GLU 41 -30.564 -14.031 -8.674 309 H LYS 42 H LYS 42 -35.181 -12.523 -7.615 310 HA LYS 42 HA LYS 42 -37.167 -14.661 -7.678 311 1HB LYS 42 2HB LYS 42 -36.189 -13.396 -5.228 312 2HB LYS 42 1HB LYS 42 -37.924 -13.227 -5.407 313 1HG LYS 42 2HG LYS 42 -37.690 -15.182 -4.201 314 2HG LYS 42 1HG LYS 42 -37.938 -15.748 -5.852 315 1HD LYS 42 2HD LYS 42 -35.171 -15.452 -5.642 316 2HD LYS 42 1HD LYS 42 -35.649 -16.116 -4.083 317 1HE LYS 42 2HE LYS 42 -36.790 -17.953 -5.196 318 2HE LYS 42 1HE LYS 42 -36.380 -17.273 -6.770 319 1HZ LYS 42 1HZ LYS 42 -33.979 -17.474 -5.958 320 2HZ LYS 42 3HZ LYS 42 -34.591 -18.522 -4.780 321 3HZ LYS 42 2HZ LYS 42 -34.775 -18.893 -6.419 322 H ARG 43 H ARG 43 -37.346 -11.437 -6.268 323 HA ARG 43 HA ARG 43 -38.137 -9.814 -8.262 324 1HB ARG 43 2HB ARG 43 -40.189 -11.867 -7.863 325 2HB ARG 43 1HB ARG 43 -40.837 -10.246 -7.725 326 1HG ARG 43 2HG ARG 43 -40.248 -9.684 -9.908 327 2HG ARG 43 1HG ARG 43 -39.138 -11.046 -10.060 328 1HD ARG 43 2HD ARG 43 -41.151 -11.517 -11.302 329 2HD ARG 43 1HD ARG 43 -41.069 -12.584 -9.900 330 HE ARG 43 HE ARG 43 -42.545 -10.463 -9.038 331 1HH1 ARG 43 1HH2 ARG 43 -42.780 -12.683 -11.712 332 2HH1 ARG 43 2HH2 ARG 43 -44.509 -12.607 -11.790 333 1HH2 ARG 43 2HH1 ARG 43 -44.819 -10.355 -9.134 334 2HH2 ARG 43 1HH1 ARG 43 -45.668 -11.283 -10.324 335 H ASN 44 H ASN 44 -37.346 -10.057 -5.345 336 HA ASN 44 HA ASN 44 -39.355 -8.354 -4.087 337 1HB ASN 44 2HB ASN 44 -37.010 -9.884 -2.991 338 2HB ASN 44 1HB ASN 44 -37.935 -8.745 -2.019 339 1HD2 ASN 44 2HD2 ASN 44 -39.239 -12.209 -1.587 340 2HD2 ASN 44 1HD2 ASN 44 -37.677 -11.481 -1.456 341 H LEU 45 H LEU 45 -36.403 -8.010 -5.656 342 HA LEU 45 HA LEU 45 -34.966 -6.247 -5.936 343 1HB LEU 45 2HB LEU 45 -37.197 -5.139 -6.369 344 2HB LEU 45 1HB LEU 45 -37.139 -4.565 -4.713 345 HG LEU 45 HG LEU 45 -34.772 -3.636 -5.504 346 1HD1 LEU 45 1HD1 LEU 45 -35.118 -4.674 -7.779 347 2HD1 LEU 45 3HD1 LEU 45 -36.362 -3.452 -8.049 348 3HD1 LEU 45 2HD1 LEU 45 -34.692 -2.962 -7.763 349 1HD2 LEU 45 3HD2 LEU 45 -37.509 -2.463 -5.780 350 2HD2 LEU 45 2HD2 LEU 45 -36.237 -2.088 -4.616 351 3HD2 LEU 45 1HD2 LEU 45 -36.095 -1.537 -6.284 352 H GLN 46 H GLN 46 -33.199 -5.886 -4.754 353 HA GLN 46 HA GLN 46 -33.429 -4.769 -2.091 354 1HB GLN 46 2HB GLN 46 -31.466 -6.881 -1.890 355 2HB GLN 46 1HB GLN 46 -32.874 -6.585 -0.886 356 1HG GLN 46 2HG GLN 46 -33.201 -7.949 -3.520 357 2HG GLN 46 1HG GLN 46 -32.591 -8.841 -2.131 358 1HE2 GLN 46 2HE2 GLN 46 -35.642 -8.769 -0.351 359 2HE2 GLN 46 1HE2 GLN 46 -33.924 -8.812 -0.179 360 H CYS 47 H CYS 47 -30.987 -4.674 -1.188 361 HA CYS 47 HA CYS 47 -29.473 -3.328 -3.317 362 1HB CYS 47 2HB CYS 47 -29.555 -3.014 -0.328 363 2HB CYS 47 1HB CYS 47 -28.204 -2.388 -1.269 364 H ILE 48 H ILE 48 -27.411 -3.898 -3.820 365 HA ILE 48 HA ILE 48 -26.137 -6.034 -2.264 366 HB ILE 48 HB ILE 48 -26.435 -6.119 -5.261 367 1HG1 ILE 48 2HG1 ILE 48 -27.816 -7.655 -3.058 368 2HG1 ILE 48 1HG1 ILE 48 -28.561 -6.659 -4.304 369 1HG2 ILE 48 3HG2 ILE 48 -24.330 -7.076 -4.426 370 2HG2 ILE 48 2HG2 ILE 48 -25.250 -8.137 -3.359 371 3HG2 ILE 48 1HG2 ILE 48 -25.393 -8.305 -5.108 372 1HD1 ILE 48 1HD1 ILE 48 -27.447 -8.382 -5.919 373 2HD1 ILE 48 3HD1 ILE 48 -27.448 -9.409 -4.486 374 3HD1 ILE 48 2HD1 ILE 48 -28.965 -8.759 -5.105 375 H CYS 49 H CYS 49 -24.165 -5.512 -1.766 376 HA CYS 49 HA CYS 49 -22.744 -3.479 -3.310 377 1HB CYS 49 2HB CYS 49 -21.913 -4.832 -0.742 378 2HB CYS 49 1HB CYS 49 -21.176 -3.411 -1.456 379 H ASP 50 H ASP 50 -21.250 -4.063 -4.806 380 HA ASP 50 HA ASP 50 -20.511 -6.870 -4.987 381 1HB ASP 50 2HB ASP 50 -21.208 -5.419 -6.979 382 2HB ASP 50 1HB ASP 50 -19.603 -4.697 -6.863 383 H TYR 51 H TYR 51 -18.741 -7.698 -4.259 384 HA TYR 51 HA TYR 51 -16.479 -5.943 -3.554 385 1HB TYR 51 2HB TYR 51 -17.515 -8.485 -2.313 386 2HB TYR 51 1HB TYR 51 -15.922 -7.836 -1.940 387 HD1 TYR 51 HD1 TYR 51 -15.738 -5.643 -0.764 388 HD2 TYR 51 HD2 TYR 51 -19.481 -7.575 -1.359 389 HE1 TYR 51 HE1 TYR 51 -16.741 -4.228 0.980 390 HE2 TYR 51 HE2 TYR 51 -20.490 -6.170 0.382 391 HH TYR 51 HH TYR 51 -19.265 -4.798 2.590 392 H CYS 52 H CYS 52 -16.474 -6.751 -6.169 393 HA CYS 52 HA CYS 52 -14.958 -9.224 -6.371 394 1HB CYS 52 2HB CYS 52 -15.941 -7.259 -8.438 395 2HB CYS 52 1HB CYS 52 -14.899 -8.615 -8.841 396 H GLU 53 H GLU 53 -13.875 -6.915 -4.933 397 HA GLU 53 HA GLU 53 -11.966 -5.459 -6.274 398 1HB GLU 53 2HB GLU 53 -12.588 -5.323 -3.824 399 2HB GLU 53 1HB GLU 53 -11.526 -6.699 -3.555 400 1HG GLU 53 2HG GLU 53 -10.424 -4.333 -4.970 401 2HG GLU 53 1HG GLU 53 -10.693 -4.221 -3.231 402 H TYR 54 HN TYR 54 -10.269 -6.001 -7.473 403 HA TYR 54 HA TYR 54 -9.450 -8.402 -8.286 404 1HB TYR 54 2HB TYR 54 -8.199 -5.794 -8.112 405 2HB TYR 54 1HB TYR 54 -6.991 -7.064 -7.950 406 HD1 TYR 54 HD2 TYR 54 -7.769 -9.144 -9.726 407 HD2 TYR 54 HD1 TYR 54 -8.192 -4.941 -10.248 408 HE1 TYR 54 HE2 TYR 54 -7.758 -9.452 -12.165 409 HE2 TYR 54 HE1 TYR 54 -8.183 -5.239 -12.690 410 HH TYR 54 HH TYR 54 -8.087 -6.681 -14.370 No H/Q in entry = 410 Start of MODEL 43 1 HN PCA 1 HN PCA 1 -17.982 -14.934 0.657 2 HA PCA 1 HA PCA 1 -19.962 -16.502 0.574 3 1HB PCA 1 1HB PCA 1 -21.390 -16.227 2.310 4 2HB PCA 1 2HB PCA 1 -21.997 -14.746 1.534 5 1HG PCA 1 1HG PCA 1 -20.364 -14.936 3.875 6 2HG PCA 1 2HG PCA 1 -20.815 -13.459 3.004 7 H ASP 2 H ASP 2 -21.125 -16.536 -1.284 8 HA ASP 2 HA ASP 2 -22.121 -15.845 -3.216 9 1HB ASP 2 2HB ASP 2 -23.069 -14.022 -1.603 10 2HB ASP 2 1HB ASP 2 -21.906 -12.966 -2.398 11 H LYS 3 H LYS 3 -19.154 -14.721 -2.064 12 HA LYS 3 HA LYS 3 -17.165 -14.525 -3.195 13 1HB LYS 3 2HB LYS 3 -18.505 -15.764 -5.080 14 2HB LYS 3 1HB LYS 3 -18.558 -14.174 -5.824 15 1HG LYS 3 2HG LYS 3 -15.866 -14.682 -5.017 16 2HG LYS 3 1HG LYS 3 -16.451 -16.091 -5.895 17 1HD LYS 3 2HD LYS 3 -16.834 -13.313 -6.979 18 2HD LYS 3 1HD LYS 3 -15.318 -14.184 -7.210 19 1HE LYS 3 2HE LYS 3 -17.513 -14.348 -8.861 20 2HE LYS 3 1HE LYS 3 -16.200 -15.522 -8.788 21 1HZ LYS 3 2HZ LYS 3 -18.133 -16.004 -6.761 22 2HZ LYS 3 1HZ LYS 3 -18.855 -15.995 -8.289 23 3HZ LYS 3 3HZ LYS 3 -17.565 -17.041 -7.967 24 H CYS 4 H CYS 4 -16.978 -12.544 -2.113 25 HA CYS 4 HA CYS 4 -16.749 -10.291 -1.901 26 1HB CYS 4 2HB CYS 4 -16.364 -10.657 -4.870 27 2HB CYS 4 1HB CYS 4 -16.151 -9.098 -4.077 28 H LYS 5 H LYS 5 -19.415 -11.190 -1.970 29 HA LYS 5 HA LYS 5 -20.726 -8.753 -2.902 30 1HB LYS 5 2HB LYS 5 -21.010 -11.309 -4.177 31 2HB LYS 5 1HB LYS 5 -22.540 -10.903 -3.427 32 1HG LYS 5 2HG LYS 5 -22.879 -9.925 -5.440 33 2HG LYS 5 1HG LYS 5 -22.075 -8.574 -4.648 34 1HD LYS 5 2HD LYS 5 -20.943 -8.731 -6.666 35 2HD LYS 5 1HD LYS 5 -19.901 -9.643 -5.572 36 1HE LYS 5 2HE LYS 5 -20.766 -11.726 -6.382 37 2HE LYS 5 1HE LYS 5 -22.016 -10.904 -7.314 38 1HZ LYS 5 1HZ LYS 5 -19.136 -10.462 -7.829 39 2HZ LYS 5 3HZ LYS 5 -19.992 -11.723 -8.563 40 3HZ LYS 5 2HZ LYS 5 -20.449 -10.118 -8.838 41 H LYS 6 H LYS 6 -22.269 -8.025 -1.511 42 HA LYS 6 HA LYS 6 -23.461 -9.841 0.419 43 1HB LYS 6 2HB LYS 6 -21.683 -7.536 1.211 44 2HB LYS 6 1HB LYS 6 -22.851 -8.259 2.309 45 1HG LYS 6 2HG LYS 6 -21.721 -10.374 2.210 46 2HG LYS 6 1HG LYS 6 -20.625 -9.773 0.964 47 1HD LYS 6 2HD LYS 6 -19.680 -8.176 2.519 48 2HD LYS 6 1HD LYS 6 -20.826 -8.674 3.766 49 1HE LYS 6 2HE LYS 6 -18.836 -9.804 4.293 50 2HE LYS 6 1HE LYS 6 -19.847 -11.011 3.499 51 1HZ LYS 6 1HZ LYS 6 -18.316 -9.672 1.558 52 2HZ LYS 6 3HZ LYS 6 -17.281 -10.197 2.790 53 3HZ LYS 6 2HZ LYS 6 -18.275 -11.307 1.990 54 H VAL 7 H VAL 7 -25.550 -9.394 0.533 55 HA VAL 7 HA VAL 7 -26.743 -7.170 -0.695 56 HB VAL 7 HB VAL 7 -28.809 -7.955 0.046 57 1HG1 VAL 7 1HG1 VAL 7 -27.518 -9.613 -1.313 58 2HG1 VAL 7 3HG1 VAL 7 -27.151 -10.456 0.192 59 3HG1 VAL 7 2HG1 VAL 7 -28.824 -10.290 -0.340 60 1HG2 VAL 7 2HG2 VAL 7 -27.334 -9.003 2.440 61 2HG2 VAL 7 1HG2 VAL 7 -28.698 -7.886 2.377 62 3HG2 VAL 7 3HG2 VAL 7 -28.940 -9.598 2.023 63 H TYR 8 H TYR 8 -28.134 -5.559 0.358 64 HA TYR 8 HA TYR 8 -26.993 -4.645 2.920 65 1HB TYR 8 2HB TYR 8 -26.846 -3.213 0.653 66 2HB TYR 8 1HB TYR 8 -28.442 -2.701 1.193 67 HD1 TYR 8 HD1 TYR 8 -27.765 -2.972 4.209 68 HD2 TYR 8 HD2 TYR 8 -25.810 -1.059 0.947 69 HE1 TYR 8 HE1 TYR 8 -26.720 -1.397 5.770 70 HE2 TYR 8 HE2 TYR 8 -24.763 0.531 2.503 71 HH TYR 8 HH TYR 8 -24.716 0.073 5.846 72 H GLU 9 H GLU 9 -28.446 -5.922 4.051 73 HA GLU 9 HA GLU 9 -31.184 -6.054 3.705 74 1HB GLU 9 2HB GLU 9 -30.905 -6.413 6.404 75 2HB GLU 9 1HB GLU 9 -30.628 -7.656 5.192 76 1HG GLU 9 2HG GLU 9 -28.834 -7.306 6.962 77 2HG GLU 9 1HG GLU 9 -28.317 -7.408 5.281 78 H ASN 10 H ASN 10 -29.876 -4.517 6.534 79 HA ASN 10 HA ASN 10 -31.949 -3.059 7.383 80 1HB ASN 10 2HB ASN 10 -29.657 -3.187 8.422 81 2HB ASN 10 1HB ASN 10 -29.169 -1.889 7.337 82 1HD2 ASN 10 2HD2 ASN 10 -32.127 -0.909 9.981 83 2HD2 ASN 10 1HD2 ASN 10 -32.215 -2.370 9.064 84 H TYR 11 H TYR 11 -29.823 -2.040 4.727 85 HA TYR 11 HA TYR 11 -30.639 0.566 4.448 86 1HB TYR 11 2HB TYR 11 -28.848 -0.550 3.124 87 2HB TYR 11 1HB TYR 11 -30.102 -1.280 2.128 88 HD1 TYR 11 HD1 TYR 11 -28.589 1.932 3.157 89 HD2 TYR 11 HD2 TYR 11 -31.152 -0.045 0.396 90 HE1 TYR 11 HE1 TYR 11 -28.614 3.947 1.750 91 HE2 TYR 11 HE2 TYR 11 -31.183 1.965 -1.021 92 HH TYR 11 HH TYR 11 -29.515 3.997 -1.360 93 HA PRO 12 HA PRO 12 -35.078 0.318 3.689 94 1HB PRO 12 2HB PRO 12 -34.466 2.760 2.077 95 2HB PRO 12 1HB PRO 12 -35.745 2.486 3.266 96 1HG PRO 12 2HG PRO 12 -33.566 3.910 3.870 97 2HG PRO 12 1HG PRO 12 -34.343 2.848 5.058 98 1HD PRO 12 2HD PRO 12 -31.793 2.491 3.583 99 2HD PRO 12 1HD PRO 12 -32.285 1.872 5.172 100 H VAL 13 H VAL 13 -35.626 -1.257 2.290 101 HA VAL 13 HA VAL 13 -34.500 -1.685 -0.240 102 HB VAL 13 HB VAL 13 -35.964 -3.241 1.272 103 1HG1 VAL 13 1HG1 VAL 13 -37.948 -1.591 0.840 104 2HG1 VAL 13 3HG1 VAL 13 -38.132 -2.524 -0.646 105 3HG1 VAL 13 2HG1 VAL 13 -38.233 -3.329 0.919 106 1HG2 VAL 13 2HG2 VAL 13 -35.815 -3.209 -1.721 107 2HG2 VAL 13 1HG2 VAL 13 -34.922 -4.204 -0.571 108 3HG2 VAL 13 3HG2 VAL 13 -36.632 -4.518 -0.866 109 H SER 14 H SER 14 -36.078 0.976 0.549 110 HA SER 14 HA SER 14 -38.127 1.306 -1.325 111 1HB SER 14 2HB SER 14 -37.526 3.806 -1.053 112 2HB SER 14 1HB SER 14 -38.049 2.918 0.377 113 HG SER 14 HG SER 14 -35.623 2.547 0.584 114 H LYS 15 H LYS 15 -35.881 3.769 -1.875 115 HA LYS 15 HA LYS 15 -35.864 3.389 -4.662 116 1HB LYS 15 2HB LYS 15 -35.542 5.573 -3.539 117 2HB LYS 15 1HB LYS 15 -33.963 5.036 -2.986 118 1HG LYS 15 2HG LYS 15 -32.999 5.309 -5.025 119 2HG LYS 15 1HG LYS 15 -34.471 4.882 -5.896 120 1HD LYS 15 2HD LYS 15 -33.827 7.251 -6.192 121 2HD LYS 15 1HD LYS 15 -35.420 7.055 -5.462 122 1HE LYS 15 2HE LYS 15 -33.395 7.192 -3.407 123 2HE LYS 15 1HE LYS 15 -33.270 8.582 -4.480 124 1HZ LYS 15 3HZ LYS 15 -35.791 8.743 -4.151 125 2HZ LYS 15 2HZ LYS 15 -35.549 7.745 -2.807 126 3HZ LYS 15 1HZ LYS 15 -34.785 9.251 -2.889 127 H CYS 16 H CYS 16 -34.182 2.780 -6.078 128 HA CYS 16 HA CYS 16 -31.670 1.822 -5.195 129 1HB CYS 16 2HB CYS 16 -33.875 -0.008 -4.961 130 2HB CYS 16 1HB CYS 16 -32.736 -0.629 -6.147 131 H GLN 17 H GLN 17 -33.601 2.946 -7.552 132 HA GLN 17 HA GLN 17 -32.418 1.532 -9.786 133 1HB GLN 17 2HB GLN 17 -34.567 3.552 -9.421 134 2HB GLN 17 1HB GLN 17 -33.745 3.542 -10.975 135 1HG GLN 17 2HG GLN 17 -34.956 1.084 -9.748 136 2HG GLN 17 1HG GLN 17 -35.841 2.168 -10.822 137 1HE2 GLN 17 2HE2 GLN 17 -32.618 0.894 -12.836 138 2HE2 GLN 17 1HE2 GLN 17 -32.539 1.986 -11.500 139 H LEU 18 H LEU 18 -32.067 4.572 -8.102 140 HA LEU 18 HA LEU 18 -30.488 5.884 -10.054 141 1HB LEU 18 2HB LEU 18 -30.886 6.306 -7.105 142 2HB LEU 18 1HB LEU 18 -29.790 7.304 -8.044 143 HG LEU 18 HG LEU 18 -32.157 8.187 -7.634 144 1HD1 LEU 18 2HD1 LEU 18 -30.554 9.131 -9.252 145 2HD1 LEU 18 1HD1 LEU 18 -31.173 8.023 -10.477 146 3HD1 LEU 18 3HD1 LEU 18 -32.228 9.261 -9.794 147 1HD2 LEU 18 2HD2 LEU 18 -33.194 5.961 -8.263 148 2HD2 LEU 18 1HD2 LEU 18 -33.919 7.397 -8.985 149 3HD2 LEU 18 3HD2 LEU 18 -32.837 6.382 -9.938 150 H ALA 19 H ALA 19 -28.534 5.336 -10.699 151 HA ALA 19 HA ALA 19 -26.855 3.471 -9.410 152 1HB ALA 19 3HB ALA 19 -26.208 5.526 -11.520 153 2HB ALA 19 2HB ALA 19 -25.146 4.204 -11.037 154 3HB ALA 19 1HB ALA 19 -26.702 3.855 -11.793 155 H ASN 20 H ASN 20 -27.582 5.441 -7.536 156 HA ASN 20 HA ASN 20 -24.927 6.398 -6.782 157 1HB ASN 20 2HB ASN 20 -26.814 8.105 -7.809 158 2HB ASN 20 1HB ASN 20 -27.107 8.277 -6.094 159 1HD2 ASN 20 2HD2 ASN 20 -23.542 9.244 -5.675 160 2HD2 ASN 20 1HD2 ASN 20 -24.491 7.887 -5.186 161 H GLN 21 H GLN 21 -27.535 7.505 -4.828 162 HA GLN 21 HA GLN 21 -27.298 6.994 -2.445 163 1HB GLN 21 2HB GLN 21 -29.510 5.991 -4.110 164 2HB GLN 21 1HB GLN 21 -29.434 5.291 -2.500 165 1HG GLN 21 2HG GLN 21 -29.300 8.251 -2.912 166 2HG GLN 21 1HG GLN 21 -30.841 7.397 -2.850 167 1HE2 GLN 21 2HE2 GLN 21 -28.777 6.676 0.543 168 2HE2 GLN 21 1HE2 GLN 21 -28.226 6.155 -1.009 169 H CYS 22 H CYS 22 -28.335 3.899 -3.806 170 HA CYS 22 HA CYS 22 -27.125 2.337 -1.834 171 1HB CYS 22 2HB CYS 22 -28.941 1.588 -3.387 172 2HB CYS 22 1HB CYS 22 -27.738 1.474 -4.667 173 H ASN 23 H ASN 23 -26.067 2.778 -5.212 174 HA ASN 23 HA ASN 23 -23.669 1.408 -5.054 175 1HB ASN 23 2HB ASN 23 -24.830 2.455 -7.107 176 2HB ASN 23 1HB ASN 23 -23.978 3.935 -6.672 177 1HD2 ASN 23 2HD2 ASN 23 -20.742 2.255 -7.170 178 2HD2 ASN 23 1HD2 ASN 23 -21.563 3.026 -5.860 179 H TYR 24 H TYR 24 -24.128 4.930 -4.697 180 HA TYR 24 HA TYR 24 -21.541 5.599 -3.981 181 1HB TYR 24 2HB TYR 24 -22.892 7.434 -4.382 182 2HB TYR 24 1HB TYR 24 -24.221 6.803 -3.416 183 HD1 TYR 24 HD1 TYR 24 -20.725 8.055 -3.045 184 HD2 TYR 24 HD2 TYR 24 -24.596 7.703 -1.317 185 HE1 TYR 24 HE1 TYR 24 -20.005 9.465 -1.165 186 HE2 TYR 24 HE2 TYR 24 -23.887 9.112 0.571 187 HH TYR 24 HH TYR 24 -20.645 10.550 0.672 188 H ASP 25 H ASP 25 -24.267 4.811 -1.817 189 HA ASP 25 HA ASP 25 -22.952 4.998 0.606 190 1HB ASP 25 2HB ASP 25 -25.246 3.350 -0.379 191 2HB ASP 25 1HB ASP 25 -24.570 2.978 1.204 192 H CYS 26 H CYS 26 -23.222 2.173 -1.526 193 HA CYS 26 HA CYS 26 -21.743 0.350 -0.055 194 1HB CYS 26 2HB CYS 26 -22.441 0.738 -2.898 195 2HB CYS 26 1HB CYS 26 -20.998 -0.234 -2.628 196 H LYS 27 H LYS 27 -20.623 2.579 -2.567 197 HA LYS 27 HA LYS 27 -17.889 2.072 -2.326 198 1HB LYS 27 2HB LYS 27 -19.492 3.547 -3.988 199 2HB LYS 27 1HB LYS 27 -18.603 4.806 -3.145 200 1HG LYS 27 2HG LYS 27 -16.525 3.976 -3.902 201 2HG LYS 27 1HG LYS 27 -17.253 2.474 -4.474 202 1HD LYS 27 2HD LYS 27 -18.512 3.726 -6.160 203 2HD LYS 27 1HD LYS 27 -17.777 5.228 -5.590 204 1HE LYS 27 2HE LYS 27 -16.311 4.806 -7.267 205 2HE LYS 27 1HE LYS 27 -15.556 3.776 -6.051 206 1HZ LYS 27 1HZ LYS 27 -17.193 2.017 -7.004 207 2HZ LYS 27 3HZ LYS 27 -17.192 3.020 -8.367 208 3HZ LYS 27 2HZ LYS 27 -15.743 2.348 -7.809 209 H LEU 28 H LEU 28 -19.499 2.951 0.268 210 HA LEU 28 HA LEU 28 -17.236 4.246 1.444 211 1HB LEU 28 2HB LEU 28 -18.516 6.050 0.122 212 2HB LEU 28 1HB LEU 28 -19.700 5.947 1.411 213 HG LEU 28 HG LEU 28 -18.138 7.799 1.758 214 1HD1 LEU 28 2HD1 LEU 28 -19.127 6.295 3.633 215 2HD1 LEU 28 1HD1 LEU 28 -17.454 5.776 3.843 216 3HD1 LEU 28 3HD1 LEU 28 -17.878 7.478 4.025 217 1HD2 LEU 28 3HD2 LEU 28 -16.230 6.341 0.659 218 2HD2 LEU 28 2HD2 LEU 28 -15.864 7.601 1.837 219 3HD2 LEU 28 1HD2 LEU 28 -15.915 5.911 2.340 220 H ASP 29 H ASP 29 -20.769 3.977 1.912 221 HA ASP 29 HA ASP 29 -20.637 3.915 4.729 222 1HB ASP 29 2HB ASP 29 -22.725 3.230 2.701 223 2HB ASP 29 1HB ASP 29 -22.986 2.780 4.383 224 H LYS 30 H LYS 30 -19.807 1.559 2.446 225 HA LYS 30 HA LYS 30 -19.626 -0.452 4.569 226 1HB LYS 30 2HB LYS 30 -20.830 -0.934 1.838 227 2HB LYS 30 1HB LYS 30 -20.375 -2.213 2.957 228 1HG LYS 30 2HG LYS 30 -22.286 -0.058 3.775 229 2HG LYS 30 1HG LYS 30 -22.831 -1.464 2.859 230 1HD LYS 30 2HD LYS 30 -21.153 -1.997 5.248 231 2HD LYS 30 1HD LYS 30 -22.784 -1.392 5.544 232 1HE LYS 30 2HE LYS 30 -22.784 -3.813 5.545 233 2HE LYS 30 1HE LYS 30 -23.688 -3.210 4.155 234 1HZ LYS 30 3HZ LYS 30 -20.850 -4.059 4.010 235 2HZ LYS 30 2HZ LYS 30 -22.149 -5.090 3.674 236 3HZ LYS 30 1HZ LYS 30 -21.891 -3.719 2.719 237 H HIS 31 H HIS 31 -17.785 1.358 3.075 238 HA HIS 31 HA HIS 31 -15.854 1.283 1.804 239 1HB HIS 31 2HB HIS 31 -14.897 -1.044 3.352 240 2HB HIS 31 1HB HIS 31 -14.233 0.584 3.232 241 HD1 HIS 31 HD1 HIS 31 -16.659 -1.478 5.204 242 HD2 HIS 31 HD2 HIS 31 -15.044 2.352 5.227 243 HE1 HIS 31 HE1 HIS 31 -17.323 -0.482 7.415 244 HE2 HIS 31 HE2 HIS 31 -16.279 1.809 7.436 245 H ALA 32 H ALA 32 -17.872 -0.190 0.475 246 HA ALA 32 HA ALA 32 -16.668 -2.688 -0.382 247 1HB ALA 32 3HB ALA 32 -19.216 -2.110 -0.092 248 2HB ALA 32 2HB ALA 32 -19.047 -1.521 -1.746 249 3HB ALA 32 1HB ALA 32 -18.676 -3.202 -1.368 250 H ARG 33 H ARG 33 -16.938 -2.984 -2.933 251 HA ARG 33 HA ARG 33 -15.136 -1.009 -4.102 252 1HB ARG 33 2HB ARG 33 -15.773 -3.853 -4.567 253 2HB ARG 33 1HB ARG 33 -15.478 -2.928 -6.031 254 1HG ARG 33 2HG ARG 33 -13.560 -2.756 -3.750 255 2HG ARG 33 1HG ARG 33 -13.518 -4.136 -4.850 256 1HD ARG 33 2HD ARG 33 -13.184 -1.224 -5.546 257 2HD ARG 33 1HD ARG 33 -11.968 -2.497 -5.648 258 HE ARG 33 HE ARG 33 -13.940 -1.861 -7.599 259 1HH1 ARG 33 1HH2 ARG 33 -12.150 -4.505 -6.207 260 2HH1 ARG 33 2HH2 ARG 33 -12.253 -5.492 -7.628 261 1HH2 ARG 33 2HH1 ARG 33 -14.082 -3.154 -9.474 262 2HH2 ARG 33 1HH1 ARG 33 -13.353 -4.725 -9.483 263 H SER 34 H SER 34 -18.384 -2.143 -4.270 264 HA SER 34 HA SER 34 -19.404 0.080 -5.573 265 1HB SER 34 2HB SER 34 -20.073 -1.277 -7.747 266 2HB SER 34 1HB SER 34 -18.541 -0.407 -7.662 267 HG SER 34 HG SER 34 -17.499 -2.242 -7.677 268 H GLY 35 H GLY 35 -21.632 -0.937 -6.869 269 1HA GLY 35 2HA GLY 35 -22.842 -3.151 -5.686 270 2HA GLY 35 1HA GLY 35 -23.192 -1.770 -4.661 271 H GLU 36 H GLU 36 -25.352 -2.741 -5.431 272 HA GLU 36 HA GLU 36 -26.642 -0.840 -7.012 273 1HB GLU 36 2HB GLU 36 -25.295 -2.725 -8.583 274 2HB GLU 36 1HB GLU 36 -26.968 -3.259 -8.614 275 1HG GLU 36 2HG GLU 36 -25.980 -0.511 -9.347 276 2HG GLU 36 1HG GLU 36 -26.455 -1.779 -10.476 277 H CYS 37 H CYS 37 -28.666 -2.670 -8.068 278 HA CYS 37 HA CYS 37 -29.628 -4.068 -5.700 279 1HB CYS 37 2HB CYS 37 -30.567 -1.486 -6.399 280 2HB CYS 37 1HB CYS 37 -31.858 -2.615 -6.795 281 H PHE 38 H PHE 38 -30.988 -5.778 -6.130 282 HA PHE 38 HA PHE 38 -31.907 -6.168 -8.870 283 1HB PHE 38 2HB PHE 38 -29.919 -7.945 -7.481 284 2HB PHE 38 1HB PHE 38 -30.940 -8.540 -8.786 285 HD1 PHE 38 HD1 PHE 38 -30.746 -7.535 -11.049 286 HD2 PHE 38 HD2 PHE 38 -28.026 -6.604 -7.915 287 HE1 PHE 38 HE1 PHE 38 -29.150 -6.654 -12.701 288 HE2 PHE 38 HE2 PHE 38 -26.424 -5.722 -9.559 289 HZ PHE 38 HZ PHE 38 -26.985 -5.745 -11.957 290 H TYR 39 H TYR 39 -33.273 -8.113 -9.093 291 HA TYR 39 HA TYR 39 -34.916 -8.452 -6.688 292 1HB TYR 39 2HB TYR 39 -35.463 -8.539 -9.622 293 2HB TYR 39 1HB TYR 39 -36.497 -9.475 -8.547 294 HD1 TYR 39 HD1 TYR 39 -37.920 -8.352 -6.909 295 HD2 TYR 39 HD2 TYR 39 -35.544 -6.125 -9.641 296 HE1 TYR 39 HE1 TYR 39 -39.238 -6.341 -6.401 297 HE2 TYR 39 HE2 TYR 39 -36.855 -4.105 -9.141 298 HH TYR 39 HH TYR 39 -38.967 -3.449 -8.253 299 H ASP 40 H ASP 40 -34.727 -10.264 -5.573 300 HA ASP 40 HA ASP 40 -33.133 -12.426 -6.213 301 1HB ASP 40 2HB ASP 40 -34.046 -13.527 -4.340 302 2HB ASP 40 1HB ASP 40 -34.208 -11.817 -3.958 303 H GLU 41 H GLU 41 -33.933 -14.746 -6.461 304 HA GLU 41 HA GLU 41 -35.260 -14.967 -8.930 305 1HB GLU 41 2HB GLU 41 -34.379 -16.952 -6.864 306 2HB GLU 41 1HB GLU 41 -35.349 -17.477 -8.233 307 1HG GLU 41 2HG GLU 41 -33.658 -16.559 -9.759 308 2HG GLU 41 1HG GLU 41 -32.674 -16.109 -8.368 309 H LYS 42 H LYS 42 -36.901 -13.560 -7.103 310 HA LYS 42 HA LYS 42 -39.313 -15.157 -7.357 311 1HB LYS 42 2HB LYS 42 -38.043 -14.457 -4.795 312 2HB LYS 42 1HB LYS 42 -39.751 -14.049 -4.883 313 1HG LYS 42 2HG LYS 42 -38.686 -16.770 -5.577 314 2HG LYS 42 1HG LYS 42 -39.191 -16.318 -3.948 315 1HD LYS 42 2HD LYS 42 -41.368 -16.558 -4.460 316 2HD LYS 42 1HD LYS 42 -41.202 -15.605 -5.933 317 1HE LYS 42 2HE LYS 42 -41.932 -17.765 -6.583 318 2HE LYS 42 1HE LYS 42 -40.230 -17.645 -7.027 319 1HZ LYS 42 2HZ LYS 42 -39.891 -18.727 -4.702 320 2HZ LYS 42 1HZ LYS 42 -41.489 -19.241 -4.909 321 3HZ LYS 42 3HZ LYS 42 -40.304 -19.689 -6.030 322 H ARG 43 H ARG 43 -38.705 -12.247 -5.471 323 HA ARG 43 HA ARG 43 -39.382 -10.352 -7.415 324 1HB ARG 43 2HB ARG 43 -41.606 -11.636 -7.084 325 2HB ARG 43 1HB ARG 43 -41.690 -10.803 -5.542 326 1HG ARG 43 2HG ARG 43 -42.962 -9.487 -6.965 327 2HG ARG 43 1HG ARG 43 -41.411 -8.651 -6.895 328 1HD ARG 43 2HD ARG 43 -42.306 -8.769 -9.180 329 2HD ARG 43 1HD ARG 43 -40.763 -9.602 -9.027 330 HE ARG 43 HE ARG 43 -41.860 -11.649 -9.320 331 1HH1 ARG 43 1HH2 ARG 43 -44.082 -8.968 -9.321 332 2HH1 ARG 43 2HH2 ARG 43 -45.372 -9.868 -10.046 333 1HH2 ARG 43 2HH1 ARG 43 -43.552 -12.845 -10.280 334 2HH2 ARG 43 1HH1 ARG 43 -45.071 -12.073 -10.591 335 H ASN 44 H ASN 44 -37.790 -10.974 -4.901 336 HA ASN 44 HA ASN 44 -38.472 -8.619 -3.282 337 1HB ASN 44 2HB ASN 44 -37.334 -11.234 -2.704 338 2HB ASN 44 1HB ASN 44 -36.318 -9.952 -2.060 339 1HD2 ASN 44 2HD2 ASN 44 -40.082 -10.544 -0.584 340 2HD2 ASN 44 1HD2 ASN 44 -39.650 -11.117 -2.155 341 H LEU 45 H LEU 45 -37.342 -6.800 -3.492 342 HA LEU 45 HA LEU 45 -34.943 -6.794 -5.142 343 1HB LEU 45 2HB LEU 45 -36.686 -5.122 -5.557 344 2HB LEU 45 1HB LEU 45 -36.500 -4.515 -3.921 345 HG LEU 45 HG LEU 45 -34.135 -3.904 -4.491 346 1HD1 LEU 45 1HD1 LEU 45 -34.994 -5.037 -7.097 347 2HD1 LEU 45 3HD1 LEU 45 -33.944 -3.621 -7.117 348 3HD1 LEU 45 2HD1 LEU 45 -33.425 -5.089 -6.297 349 1HD2 LEU 45 1HD2 LEU 45 -36.526 -2.687 -5.801 350 2HD2 LEU 45 3HD2 LEU 45 -35.532 -2.074 -4.477 351 3HD2 LEU 45 2HD2 LEU 45 -34.922 -2.032 -6.131 352 H GLN 46 H GLN 46 -32.904 -6.318 -4.430 353 HA GLN 46 HA GLN 46 -32.529 -5.455 -1.671 354 1HB GLN 46 2HB GLN 46 -31.659 -8.117 -2.751 355 2HB GLN 46 1HB GLN 46 -30.783 -7.349 -1.435 356 1HG GLN 46 2HG GLN 46 -32.703 -7.394 -0.027 357 2HG GLN 46 1HG GLN 46 -33.736 -7.909 -1.359 358 1HE2 GLN 46 2HE2 GLN 46 -33.328 -11.228 -0.567 359 2HE2 GLN 46 1HE2 GLN 46 -34.315 -9.936 -1.151 360 H CYS 47 H CYS 47 -30.575 -4.479 -1.252 361 HA CYS 47 HA CYS 47 -29.163 -3.491 -3.564 362 1HB CYS 47 2HB CYS 47 -29.530 -2.698 -0.790 363 2HB CYS 47 1HB CYS 47 -27.855 -2.517 -1.300 364 H ILE 48 H ILE 48 -27.638 -4.750 -4.460 365 HA ILE 48 HA ILE 48 -26.069 -6.547 -2.788 366 HB ILE 48 HB ILE 48 -25.782 -6.230 -5.765 367 1HG1 ILE 48 2HG1 ILE 48 -27.888 -7.643 -4.166 368 2HG1 ILE 48 1HG1 ILE 48 -28.058 -6.710 -5.648 369 1HG2 ILE 48 3HG2 ILE 48 -24.069 -7.489 -4.449 370 2HG2 ILE 48 2HG2 ILE 48 -25.338 -8.625 -3.991 371 3HG2 ILE 48 1HG2 ILE 48 -24.886 -8.444 -5.687 372 1HD1 ILE 48 3HD1 ILE 48 -26.929 -8.542 -6.871 373 2HD1 ILE 48 2HD1 ILE 48 -26.913 -9.480 -5.377 374 3HD1 ILE 48 1HD1 ILE 48 -28.447 -9.026 -6.117 375 H CYS 49 H CYS 49 -24.244 -5.909 -1.899 376 HA CYS 49 HA CYS 49 -22.748 -3.672 -3.061 377 1HB CYS 49 2HB CYS 49 -23.434 -4.126 -0.486 378 2HB CYS 49 1HB CYS 49 -21.847 -4.885 -0.505 379 H ASP 50 H ASP 50 -21.058 -4.064 -4.321 380 HA ASP 50 HA ASP 50 -19.831 -6.719 -4.309 381 1HB ASP 50 2HB ASP 50 -20.528 -5.777 -6.476 382 2HB ASP 50 1HB ASP 50 -19.463 -4.398 -6.220 383 H TYR 51 H TYR 51 -17.782 -7.119 -3.700 384 HA TYR 51 HA TYR 51 -16.243 -4.865 -2.586 385 1HB TYR 51 2HB TYR 51 -16.522 -7.741 -1.798 386 2HB TYR 51 1HB TYR 51 -15.104 -6.820 -1.310 387 HD1 TYR 51 HD1 TYR 51 -18.811 -6.883 -1.117 388 HD2 TYR 51 HD2 TYR 51 -15.195 -5.377 0.545 389 HE1 TYR 51 HE1 TYR 51 -20.073 -5.973 0.784 390 HE2 TYR 51 HE2 TYR 51 -16.448 -4.465 2.454 391 HH TYR 51 HH TYR 51 -19.928 -4.425 2.521 392 H CYS 52 H CYS 52 -16.295 -6.982 -5.178 393 HA CYS 52 HA CYS 52 -13.461 -6.472 -5.706 394 1HB CYS 52 2HB CYS 52 -14.718 -9.211 -5.942 395 2HB CYS 52 1HB CYS 52 -13.069 -8.788 -6.393 396 H GLU 53 H GLU 53 -14.656 -8.858 -7.692 397 HA GLU 53 HA GLU 53 -15.395 -8.945 -9.842 398 1HB GLU 53 2HB GLU 53 -17.257 -7.492 -8.851 399 2HB GLU 53 1HB GLU 53 -16.404 -6.122 -9.551 400 1HG GLU 53 2HG GLU 53 -17.412 -8.498 -11.098 401 2HG GLU 53 1HG GLU 53 -18.243 -6.948 -10.963 402 H TYR 54 HN TYR 54 -14.166 -8.795 -11.617 403 HA TYR 54 HA TYR 54 -11.848 -7.254 -11.735 404 1HB TYR 54 2HB TYR 54 -13.401 -8.878 -13.687 405 2HB TYR 54 1HB TYR 54 -12.205 -7.766 -14.343 406 HD1 TYR 54 HD2 TYR 54 -9.805 -7.950 -13.449 407 HD2 TYR 54 HD1 TYR 54 -12.749 -10.968 -12.867 408 HE1 TYR 54 HE2 TYR 54 -8.028 -9.589 -13.005 409 HE2 TYR 54 HE1 TYR 54 -10.979 -12.616 -12.422 410 HH TYR 54 HH TYR 54 -7.546 -11.707 -12.562 No H/Q in entry = 410
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