NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5833 | 1i11 | 5036 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 2.690 -7.556 -13.668 2 1HB PRO 1 3HB PRO 1 1.022 -9.705 -14.570 3 2HB PRO 1 2HB PRO 1 2.221 -8.793 -15.498 4 1HG PRO 1 2HG PRO 1 2.407 -11.493 -14.562 5 2HG PRO 1 1HG PRO 1 3.606 -10.569 -15.478 6 1HD PRO 1 2HD PRO 1 3.703 -11.328 -12.716 7 2HD PRO 1 1HD PRO 1 4.899 -10.411 -13.640 8 H HIS 2 H HIS 2 1.381 -10.283 -11.790 9 HA HIS 2 HA HIS 2 -0.868 -8.486 -10.975 10 1HB HIS 2 3HB HIS 2 -2.080 -10.668 -10.469 11 2HB HIS 2 2HB HIS 2 -1.796 -10.344 -12.180 12 HD1 HIS 2 HD1 HIS 2 0.175 -11.687 -13.332 13 HD2 HIS 2 HD2 HIS 2 -0.748 -12.930 -9.462 14 HE1 HIS 2 HE1 HIS 2 1.293 -13.939 -13.018 15 H ILE 3 H ILE 3 1.351 -8.081 -9.551 16 HA ILE 3 HA ILE 3 0.974 -9.708 -7.068 17 HB ILE 3 HB ILE 3 3.486 -8.147 -7.581 18 1HG1 ILE 3 2HG1 ILE 3 3.056 -10.968 -8.596 19 2HG1 ILE 3 1HG1 ILE 3 2.936 -9.549 -9.636 20 1HG2 ILE 3 1HG2 ILE 3 2.678 -9.578 -5.467 21 2HG2 ILE 3 2HG2 ILE 3 4.371 -9.529 -5.960 22 3HG2 ILE 3 3HG2 ILE 3 3.357 -10.896 -6.422 23 1HD1 ILE 3 1HD1 ILE 3 5.242 -8.914 -9.067 24 2HD1 ILE 3 2HD1 ILE 3 5.203 -10.550 -9.726 25 3HD1 ILE 3 3HD1 ILE 3 5.368 -10.302 -7.987 26 H LYS 4 H LYS 4 1.230 -8.468 -5.045 27 HA LYS 4 HA LYS 4 -0.045 -5.860 -5.259 28 1HB LYS 4 3HB LYS 4 0.014 -5.912 -2.801 29 2HB LYS 4 2HB LYS 4 -0.600 -7.435 -3.435 30 1HG LYS 4 2HG LYS 4 2.097 -7.923 -3.356 31 2HG LYS 4 1HG LYS 4 1.886 -6.885 -1.945 32 1HD LYS 4 2HD LYS 4 0.030 -8.362 -1.178 33 2HD LYS 4 1HD LYS 4 0.351 -9.433 -2.542 34 1HE LYS 4 2HE LYS 4 2.462 -10.066 -1.706 35 2HE LYS 4 1HE LYS 4 2.547 -8.678 -0.622 36 1HZ LYS 4 1HZ LYS 4 0.717 -9.620 0.655 37 2HZ LYS 4 2HZ LYS 4 2.036 -10.689 0.595 38 3HZ LYS 4 3HZ LYS 4 0.668 -10.965 -0.377 39 H ARG 5 H ARG 5 2.280 -5.560 -6.606 40 HA ARG 5 HA ARG 5 4.495 -4.705 -4.944 41 1HB ARG 5 3HB ARG 5 4.019 -3.738 -7.760 42 2HB ARG 5 2HB ARG 5 5.550 -4.092 -6.960 43 1HG ARG 5 2HG ARG 5 4.260 -6.515 -6.811 44 2HG ARG 5 1HG ARG 5 3.719 -5.905 -8.376 45 1HD ARG 5 2HD ARG 5 5.717 -6.964 -8.959 46 2HD ARG 5 1HD ARG 5 6.259 -5.306 -8.702 47 HE ARG 5 HE ARG 5 6.408 -7.114 -6.367 48 1HH1 ARG 5 1HH1 ARG 5 7.981 -6.108 -9.233 49 2HH1 ARG 5 2HH1 ARG 5 9.550 -5.998 -8.507 50 1HH2 ARG 5 1HH2 ARG 5 8.413 -6.713 -5.310 51 2HH2 ARG 5 2HH2 ARG 5 9.795 -6.340 -6.286 52 HA PRO 6 HA PRO 6 3.232 -0.599 -4.054 53 1HB PRO 6 3HB PRO 6 5.651 0.708 -4.135 54 2HB PRO 6 2HB PRO 6 5.165 -0.375 -2.819 55 1HG PRO 6 2HG PRO 6 7.111 -0.858 -5.026 56 2HG PRO 6 1HG PRO 6 7.047 -1.580 -3.409 57 1HD PRO 6 2HD PRO 6 6.185 -2.806 -5.808 58 2HD PRO 6 1HD PRO 6 5.825 -3.368 -4.162 59 H MET 7 H MET 7 2.259 -0.739 -6.427 60 HA MET 7 HA MET 7 3.614 1.232 -8.176 61 1HB MET 7 3HB MET 7 1.580 0.208 -9.694 62 2HB MET 7 2HB MET 7 3.235 -0.395 -9.721 63 1HG MET 7 2HG MET 7 2.726 -2.131 -8.157 64 2HG MET 7 1HG MET 7 1.160 -1.415 -7.784 65 1HE MET 7 1HE MET 7 2.455 -3.897 -11.371 66 2HE MET 7 2HE MET 7 2.917 -4.132 -9.688 67 3HE MET 7 3HE MET 7 3.437 -2.682 -10.541 68 H ASN 8 H ASN 8 1.389 2.089 -9.613 69 HA ASN 8 HA ASN 8 -0.882 2.691 -8.063 70 1HB ASN 8 3HB ASN 8 0.155 3.931 -6.479 71 2HB ASN 8 2HB ASN 8 1.510 4.266 -7.521 72 1HD2 ASN 8 1HD2 ASN 8 -1.448 5.554 -6.284 73 2HD2 ASN 8 2HD2 ASN 8 -1.440 7.001 -7.170 74 H ALA 9 H ALA 9 -1.830 4.968 -9.012 75 HA ALA 9 HA ALA 9 -2.278 4.548 -11.745 76 1HB ALA 9 1HB ALA 9 -2.424 7.122 -10.147 77 2HB ALA 9 2HB ALA 9 -3.751 6.006 -10.472 78 3HB ALA 9 3HB ALA 9 -3.044 6.944 -11.789 79 H PHE 10 H PHE 10 0.188 6.380 -10.083 80 HA PHE 10 HA PHE 10 1.239 7.614 -12.424 81 1HB PHE 10 3HB PHE 10 1.813 8.675 -10.463 82 2HB PHE 10 2HB PHE 10 2.188 7.172 -9.639 83 HD1 PHE 10 HD1 PHE 10 4.361 6.141 -9.823 84 HD2 PHE 10 HD2 PHE 10 3.393 9.627 -12.130 85 HE1 PHE 10 HE1 PHE 10 6.748 6.390 -10.441 86 HE2 PHE 10 HE2 PHE 10 5.783 9.881 -12.752 87 HZ PHE 10 HZ PHE 10 7.460 8.260 -11.906 88 H MET 11 H MET 11 2.601 4.987 -10.425 89 HA MET 11 HA MET 11 4.526 4.231 -12.405 90 1HB MET 11 3HB MET 11 3.334 2.910 -9.984 91 2HB MET 11 2HB MET 11 4.211 1.902 -11.138 92 1HG MET 11 2HG MET 11 5.921 4.017 -10.899 93 2HG MET 11 1HG MET 11 5.232 3.959 -9.277 94 1HE MET 11 1HE MET 11 6.407 2.341 -7.417 95 2HE MET 11 2HE MET 11 7.236 3.646 -8.262 96 3HE MET 11 3HE MET 11 8.060 2.110 -8.003 97 H VAL 12 H VAL 12 1.143 3.951 -12.164 98 HA VAL 12 HA VAL 12 0.922 1.635 -13.926 99 HB VAL 12 HB VAL 12 -0.983 3.551 -12.598 100 1HG1 VAL 12 1HG1 VAL 12 -2.656 1.755 -13.806 101 2HG1 VAL 12 2HG1 VAL 12 -1.460 2.038 -15.071 102 3HG1 VAL 12 3HG1 VAL 12 -2.354 3.394 -14.383 103 1HG2 VAL 12 1HG2 VAL 12 -1.156 0.558 -12.597 104 2HG2 VAL 12 2HG2 VAL 12 -1.630 1.701 -11.341 105 3HG2 VAL 12 3HG2 VAL 12 0.077 1.354 -11.619 106 H TRP 13 H TRP 13 0.363 5.104 -14.017 107 HA TRP 13 HA TRP 13 -0.233 5.044 -16.896 108 1HB TRP 13 3HB TRP 13 -1.359 6.799 -15.994 109 2HB TRP 13 2HB TRP 13 -0.227 6.975 -14.668 110 HD1 TRP 13 HD1 TRP 13 -1.278 8.503 -17.808 111 HE1 TRP 13 HE1 TRP 13 0.290 10.425 -18.406 112 HE3 TRP 13 HE3 TRP 13 2.576 7.644 -14.562 113 HZ2 TRP 13 HZ2 TRP 13 2.834 11.471 -17.700 114 HZ3 TRP 13 HZ3 TRP 13 4.562 9.111 -14.558 115 HH2 TRP 13 HH2 TRP 13 4.696 11.030 -16.115 116 H ALA 14 H ALA 14 2.452 5.813 -14.812 117 HA ALA 14 HA ALA 14 4.162 6.915 -16.839 118 1HB ALA 14 1HB ALA 14 5.377 5.661 -14.459 119 2HB ALA 14 2HB ALA 14 4.191 6.924 -14.143 120 3HB ALA 14 3HB ALA 14 5.604 7.274 -15.130 121 H LYS 15 H LYS 15 3.447 3.642 -15.800 122 HA LYS 15 HA LYS 15 5.845 2.466 -16.806 123 1HB LYS 15 3HB LYS 15 4.516 0.341 -16.834 124 2HB LYS 15 2HB LYS 15 4.412 1.194 -15.294 125 1HG LYS 15 2HG LYS 15 2.197 1.626 -15.543 126 2HG LYS 15 1HG LYS 15 2.368 2.003 -17.259 127 1HD LYS 15 2HD LYS 15 1.273 0.023 -17.547 128 2HD LYS 15 1HD LYS 15 2.871 -0.675 -17.281 129 1HE LYS 15 2HE LYS 15 2.302 -1.502 -15.246 130 2HE LYS 15 1HE LYS 15 1.418 -0.042 -14.800 131 1HZ LYS 15 1HZ LYS 15 -0.162 -1.023 -16.700 132 2HZ LYS 15 2HZ LYS 15 -0.345 -1.387 -15.050 133 3HZ LYS 15 3HZ LYS 15 0.469 -2.469 -16.077 134 H ASP 16 H ASP 16 2.881 3.540 -18.229 135 HA ASP 16 HA ASP 16 3.648 2.378 -20.834 136 1HB ASP 16 3HB ASP 16 1.159 2.821 -19.641 137 2HB ASP 16 2HB ASP 16 1.293 4.105 -20.843 138 H GLU 17 H GLU 17 3.388 5.338 -19.047 139 HA GLU 17 HA GLU 17 3.834 7.146 -21.230 140 1HB GLU 17 3HB GLU 17 3.446 7.242 -18.412 141 2HB GLU 17 2HB GLU 17 4.889 8.175 -18.790 142 1HG GLU 17 2HG GLU 17 2.838 8.674 -20.744 143 2HG GLU 17 1HG GLU 17 2.199 8.918 -19.124 144 H ARG 18 H ARG 18 5.917 5.330 -19.026 145 HA ARG 18 HA ARG 18 8.350 6.621 -20.034 146 1HB ARG 18 3HB ARG 18 9.589 5.003 -18.706 147 2HB ARG 18 2HB ARG 18 8.267 5.630 -17.733 148 1HG ARG 18 2HG ARG 18 7.261 3.600 -17.587 149 2HG ARG 18 1HG ARG 18 7.570 3.222 -19.276 150 1HD ARG 18 2HD ARG 18 10.105 3.203 -18.184 151 2HD ARG 18 1HD ARG 18 9.120 2.505 -16.898 152 HE ARG 18 HE ARG 18 8.327 1.221 -19.271 153 1HH1 ARG 18 1HH2 ARG 18 11.018 1.523 -17.138 154 2HH1 ARG 18 2HH2 ARG 18 11.781 0.066 -17.680 155 1HH2 ARG 18 1HH1 ARG 18 9.379 -0.621 -20.082 156 2HH2 ARG 18 2HH1 ARG 18 10.854 -1.145 -19.344 157 H ARG 19 H ARG 19 6.452 3.759 -20.644 158 HA ARG 19 HA ARG 19 8.299 2.588 -22.517 159 1HB ARG 19 3HB ARG 19 6.797 0.898 -22.435 160 2HB ARG 19 2HB ARG 19 5.932 1.836 -21.244 161 1HG ARG 19 2HG ARG 19 4.173 1.859 -22.628 162 2HG ARG 19 1HG ARG 19 5.087 2.846 -23.749 163 1HD ARG 19 2HD ARG 19 4.817 -0.153 -23.707 164 2HD ARG 19 1HD ARG 19 4.449 0.961 -25.025 165 HE ARG 19 HE ARG 19 6.873 1.256 -25.353 166 1HH1 ARG 19 1HH1 ARG 19 5.793 -1.767 -24.646 167 2HH1 ARG 19 2HH1 ARG 19 7.297 -2.397 -24.062 168 1HH2 ARG 19 1HH2 ARG 19 8.855 0.701 -23.957 169 2HH2 ARG 19 2HH2 ARG 19 9.031 -0.998 -23.672 170 H LYS 20 H LYS 20 5.591 4.811 -22.611 171 HA LYS 20 HA LYS 20 5.584 5.118 -25.464 172 1HB LYS 20 3HB LYS 20 3.698 5.667 -23.757 173 2HB LYS 20 2HB LYS 20 4.553 7.199 -23.566 174 1HG LYS 20 2HG LYS 20 3.312 7.867 -25.345 175 2HG LYS 20 1HG LYS 20 4.484 6.953 -26.293 176 1HD LYS 20 2HD LYS 20 2.830 4.944 -25.559 177 2HD LYS 20 1HD LYS 20 1.677 6.279 -25.600 178 1HE LYS 20 2HE LYS 20 3.593 5.656 -27.863 179 2HE LYS 20 1HE LYS 20 1.932 5.064 -27.800 180 1HZ LYS 20 1HZ LYS 20 1.140 7.324 -27.720 181 2HZ LYS 20 2HZ LYS 20 2.144 7.124 -29.077 182 3HZ LYS 20 3HZ LYS 20 2.727 7.923 -27.695 183 H ILE 21 H ILE 21 7.460 6.374 -22.911 184 HA ILE 21 HA ILE 21 8.426 8.617 -24.568 185 HB ILE 21 HB ILE 21 8.278 8.029 -21.707 186 1HG1 ILE 21 2HG1 ILE 21 8.535 10.568 -21.653 187 2HG1 ILE 21 1HG1 ILE 21 8.606 10.502 -23.413 188 1HG2 ILE 21 1HG2 ILE 21 10.861 9.108 -22.837 189 2HG2 ILE 21 2HG2 ILE 21 10.653 7.684 -21.821 190 3HG2 ILE 21 3HG2 ILE 21 10.376 9.290 -21.151 191 1HD1 ILE 21 1HD1 ILE 21 6.341 10.641 -23.313 192 2HD1 ILE 21 2HD1 ILE 21 6.299 10.163 -21.616 193 3HD1 ILE 21 3HD1 ILE 21 6.410 8.934 -22.875 194 H LEU 22 H LEU 22 9.667 5.802 -22.852 195 HA LEU 22 HA LEU 22 12.350 5.859 -23.552 196 1HB LEU 22 3HB LEU 22 10.872 4.117 -22.281 197 2HB LEU 22 2HB LEU 22 10.768 3.340 -23.856 198 HG LEU 22 HG LEU 22 13.310 3.556 -23.952 199 1HD1 LEU 22 1HD1 LEU 22 14.488 4.107 -22.034 200 2HD1 LEU 22 2HD1 LEU 22 13.170 3.626 -20.965 201 3HD1 LEU 22 3HD1 LEU 22 13.081 5.153 -21.843 202 1HD2 LEU 22 1HD2 LEU 22 12.813 1.379 -23.641 203 2HD2 LEU 22 2HD2 LEU 22 11.560 1.750 -22.456 204 3HD2 LEU 22 3HD2 LEU 22 13.251 1.670 -21.958 205 H GLN 23 H GLN 23 9.570 5.127 -25.511 206 HA GLN 23 HA GLN 23 10.912 3.957 -27.735 207 1HB GLN 23 3HB GLN 23 8.919 4.455 -28.976 208 2HB GLN 23 2HB GLN 23 8.411 4.011 -27.352 209 1HG GLN 23 2HG GLN 23 8.396 6.412 -26.762 210 2HG GLN 23 1HG GLN 23 8.766 6.799 -28.436 211 1HE2 GLN 23 1HE2 GLN 23 6.941 7.249 -29.677 212 2HE2 GLN 23 2HE2 GLN 23 5.387 6.626 -29.393 213 H ALA 24 H ALA 24 10.117 7.110 -26.732 214 HA ALA 24 HA ALA 24 11.341 8.454 -29.011 215 1HB ALA 24 1HB ALA 24 9.760 9.223 -26.631 216 2HB ALA 24 2HB ALA 24 9.676 9.844 -28.280 217 3HB ALA 24 3HB ALA 24 10.929 10.423 -27.182 218 H PHE 25 H PHE 25 12.221 7.353 -25.874 219 HA PHE 25 HA PHE 25 14.951 8.398 -26.255 220 1HB PHE 25 3HB PHE 25 13.493 8.579 -23.600 221 2HB PHE 25 2HB PHE 25 15.115 9.163 -23.964 222 HD1 PHE 25 HD1 PHE 25 12.105 10.418 -23.218 223 HD2 PHE 25 HD2 PHE 25 14.881 10.528 -26.491 224 HE1 PHE 25 HE1 PHE 25 11.160 12.591 -23.944 225 HE2 PHE 25 HE2 PHE 25 13.938 12.701 -27.219 226 HZ PHE 25 HZ PHE 25 12.077 13.733 -25.946 227 HA PRO 26 HA PRO 26 14.617 3.896 -25.234 228 1HB PRO 26 3HB PRO 26 16.439 3.203 -27.180 229 2HB PRO 26 2HB PRO 26 14.690 3.297 -27.445 230 1HG PRO 26 2HG PRO 26 16.820 5.278 -28.205 231 2HG PRO 26 1HG PRO 26 15.325 4.856 -29.061 232 1HD PRO 26 2HD PRO 26 15.581 7.147 -27.529 233 2HD PRO 26 1HD PRO 26 14.039 6.331 -27.815 234 H ASP 27 H ASP 27 16.899 6.357 -24.995 235 HA ASP 27 HA ASP 27 18.942 4.549 -23.813 236 1HB ASP 27 3HB ASP 27 19.116 6.905 -25.396 237 2HB ASP 27 2HB ASP 27 19.813 7.239 -23.815 238 H MET 28 H MET 28 16.646 7.053 -23.198 239 HA MET 28 HA MET 28 17.478 7.865 -20.602 240 1HB MET 28 3HB MET 28 15.552 8.741 -22.245 241 2HB MET 28 2HB MET 28 14.596 7.727 -21.171 242 1HG MET 28 2HG MET 28 15.223 8.937 -19.256 243 2HG MET 28 1HG MET 28 16.585 9.693 -20.079 244 1HE MET 28 1HE MET 28 15.328 10.747 -22.927 245 2HE MET 28 2HE MET 28 16.588 11.204 -21.783 246 3HE MET 28 3HE MET 28 15.342 12.371 -22.223 247 H HIS 29 H HIS 29 18.082 6.001 -19.547 248 HA HIS 29 HA HIS 29 16.264 3.768 -19.303 249 1HB HIS 29 3HB HIS 29 17.973 2.785 -17.934 250 2HB HIS 29 2HB HIS 29 18.764 3.625 -19.267 251 HD1 HIS 29 HD1 HIS 29 19.945 3.079 -16.281 252 HD2 HIS 29 HD2 HIS 29 18.502 6.680 -17.803 253 HE1 HIS 29 HE1 HIS 29 21.010 4.916 -14.904 254 H ASN 30 H ASN 30 16.139 2.985 -16.758 255 HA ASN 30 HA ASN 30 14.040 4.414 -15.610 256 1HB ASN 30 3HB ASN 30 15.657 2.190 -14.892 257 2HB ASN 30 2HB ASN 30 15.574 3.254 -13.487 258 1HD2 ASN 30 1HD2 ASN 30 13.093 2.707 -16.032 259 2HD2 ASN 30 2HD2 ASN 30 11.898 2.157 -14.961 260 H SER 31 H SER 31 17.391 4.504 -14.344 261 HA SER 31 HA SER 31 17.136 6.442 -12.421 262 1HB SER 31 3HB SER 31 19.256 5.269 -13.677 263 2HB SER 31 2HB SER 31 19.444 6.962 -14.108 264 HG SER 31 HG SER 31 19.701 7.481 -12.046 265 H ASN 32 H ASN 32 16.751 7.009 -15.849 266 HA ASN 32 HA ASN 32 16.753 9.938 -15.310 267 1HB ASN 32 3HB ASN 32 17.773 8.359 -17.453 268 2HB ASN 32 2HB ASN 32 16.566 9.479 -18.070 269 1HD2 ASN 32 1HD2 ASN 32 18.109 10.926 -19.064 270 2HD2 ASN 32 2HD2 ASN 32 19.179 11.871 -18.144 271 H ILE 33 H ILE 33 14.959 7.575 -17.306 272 HA ILE 33 HA ILE 33 12.782 9.224 -17.955 273 HB ILE 33 HB ILE 33 12.888 6.255 -17.386 274 1HG1 ILE 33 2HG1 ILE 33 14.122 7.264 -19.359 275 2HG1 ILE 33 1HG1 ILE 33 12.908 6.057 -19.787 276 1HG2 ILE 33 1HG2 ILE 33 10.665 6.817 -19.008 277 2HG2 ILE 33 2HG2 ILE 33 10.580 7.997 -17.701 278 3HG2 ILE 33 3HG2 ILE 33 10.629 6.273 -17.331 279 1HD1 ILE 33 1HD1 ILE 33 11.276 7.992 -20.072 280 2HD1 ILE 33 2HD1 ILE 33 12.560 7.898 -21.275 281 3HD1 ILE 33 3HD1 ILE 33 12.668 9.067 -19.957 282 H SER 34 H SER 34 13.659 7.821 -14.923 283 HA SER 34 HA SER 34 11.191 7.775 -13.560 284 1HB SER 34 3HB SER 34 14.035 7.981 -12.832 285 2HB SER 34 2HB SER 34 12.932 8.676 -11.649 286 HG SER 34 HG SER 34 12.356 6.175 -12.783 287 H LYS 35 H LYS 35 13.515 10.496 -13.850 288 HA LYS 35 HA LYS 35 11.790 12.304 -12.442 289 1HB LYS 35 3HB LYS 35 13.334 14.031 -13.126 290 2HB LYS 35 2HB LYS 35 14.287 12.594 -12.751 291 1HG LYS 35 2HG LYS 35 15.163 12.721 -14.820 292 2HG LYS 35 1HG LYS 35 13.567 12.325 -15.454 293 1HD LYS 35 2HD LYS 35 13.316 14.404 -16.266 294 2HD LYS 35 1HD LYS 35 13.654 15.102 -14.682 295 1HE LYS 35 2HE LYS 35 16.157 14.406 -15.347 296 2HE LYS 35 1HE LYS 35 15.503 14.611 -16.971 297 1HZ LYS 35 1HZ LYS 35 15.262 16.636 -14.815 298 2HZ LYS 35 2HZ LYS 35 14.839 16.825 -16.450 299 3HZ LYS 35 3HZ LYS 35 16.471 16.658 -16.004 300 H ILE 36 H ILE 36 12.004 11.111 -15.651 301 HA ILE 36 HA ILE 36 10.588 13.216 -16.973 302 HB ILE 36 HB ILE 36 11.366 10.439 -17.593 303 1HG1 ILE 36 2HG1 ILE 36 12.128 11.697 -19.721 304 2HG1 ILE 36 1HG1 ILE 36 11.726 13.164 -18.827 305 1HG2 ILE 36 1HG2 ILE 36 10.100 11.103 -19.911 306 2HG2 ILE 36 2HG2 ILE 36 8.997 11.803 -18.726 307 3HG2 ILE 36 3HG2 ILE 36 9.379 10.082 -18.667 308 1HD1 ILE 36 1HD1 ILE 36 13.471 11.075 -17.552 309 2HD1 ILE 36 2HD1 ILE 36 13.392 12.807 -17.232 310 3HD1 ILE 36 3HD1 ILE 36 14.167 12.220 -18.699 311 H LEU 37 H LEU 37 9.637 9.996 -15.885 312 HA LEU 37 HA LEU 37 6.856 10.177 -16.401 313 1HB LEU 37 3HB LEU 37 8.526 8.661 -14.419 314 2HB LEU 37 2HB LEU 37 6.775 8.515 -14.444 315 HG LEU 37 HG LEU 37 8.689 7.904 -16.705 316 1HD1 LEU 37 1HD1 LEU 37 8.588 5.823 -15.892 317 2HD1 LEU 37 2HD1 LEU 37 6.829 5.843 -16.022 318 3HD1 LEU 37 3HD1 LEU 37 7.613 6.413 -14.547 319 1HD2 LEU 37 1HD2 LEU 37 6.961 8.394 -18.094 320 2HD2 LEU 37 2HD2 LEU 37 5.859 8.636 -16.738 321 3HD2 LEU 37 3HD2 LEU 37 6.118 7.016 -17.384 322 H GLY 38 H GLY 38 8.527 10.481 -13.292 323 1HA GLY 38 2HA GLY 38 6.294 11.432 -11.806 324 2HA GLY 38 1HA GLY 38 7.979 11.697 -11.350 325 H SER 39 H SER 39 8.136 12.968 -14.212 326 HA SER 39 HA SER 39 7.308 15.643 -13.276 327 1HB SER 39 3HB SER 39 9.262 14.775 -15.418 328 2HB SER 39 2HB SER 39 8.772 16.449 -15.181 329 HG SER 39 HG SER 39 9.401 15.776 -12.832 330 H ARG 40 H ARG 40 6.604 13.094 -15.407 331 HA ARG 40 HA ARG 40 5.100 14.758 -17.292 332 1HB ARG 40 3HB ARG 40 6.018 11.977 -17.031 333 2HB ARG 40 2HB ARG 40 4.509 12.203 -17.886 334 1HG ARG 40 2HG ARG 40 6.336 14.212 -18.752 335 2HG ARG 40 1HG ARG 40 7.153 12.650 -18.841 336 1HD ARG 40 2HD ARG 40 5.497 11.740 -20.250 337 2HD ARG 40 1HD ARG 40 4.363 13.042 -19.905 338 HE ARG 40 HE ARG 40 5.319 13.882 -21.919 339 1HH1 ARG 40 1HH2 ARG 40 7.149 15.334 -19.996 340 2HH1 ARG 40 2HH2 ARG 40 8.706 14.993 -20.674 341 1HH2 ARG 40 1HH1 ARG 40 7.566 12.384 -22.652 342 2HH2 ARG 40 2HH1 ARG 40 8.942 13.324 -22.180 343 H TRP 41 H TRP 41 4.841 12.762 -14.511 344 HA TRP 41 HA TRP 41 2.021 12.328 -14.443 345 1HB TRP 41 3HB TRP 41 3.774 11.097 -13.141 346 2HB TRP 41 2HB TRP 41 3.968 12.538 -12.151 347 HD1 TRP 41 HD1 TRP 41 2.445 12.611 -10.101 348 HE1 TRP 41 HE1 TRP 41 0.177 11.525 -9.437 349 HE3 TRP 41 HE3 TRP 41 1.398 10.176 -14.397 350 HZ2 TRP 41 HZ2 TRP 41 -1.816 9.826 -10.645 351 HZ3 TRP 41 HZ3 TRP 41 -0.664 8.841 -14.630 352 HH2 TRP 41 HH2 TRP 41 -2.262 8.674 -12.820 353 H LYS 42 H LYS 42 4.073 14.517 -12.509 354 HA LYS 42 HA LYS 42 1.889 15.964 -11.392 355 1HB LYS 42 3HB LYS 42 4.733 16.903 -11.930 356 2HB LYS 42 2HB LYS 42 3.586 17.687 -10.843 357 1HG LYS 42 2HG LYS 42 3.459 15.612 -9.495 358 2HG LYS 42 1HG LYS 42 4.643 14.858 -10.562 359 1HD LYS 42 2HD LYS 42 6.319 16.516 -9.947 360 2HD LYS 42 1HD LYS 42 5.138 17.392 -8.972 361 1HE LYS 42 2HE LYS 42 4.862 15.010 -7.812 362 2HE LYS 42 1HE LYS 42 6.507 14.795 -8.410 363 1HZ LYS 42 1HZ LYS 42 7.295 16.519 -7.135 364 2HZ LYS 42 2HZ LYS 42 6.117 15.859 -6.104 365 3HZ LYS 42 3HZ LYS 42 5.780 17.267 -6.994 366 H ALA 43 H ALA 43 3.356 15.900 -14.467 367 HA ALA 43 HA ALA 43 2.452 18.515 -15.299 368 1HB ALA 43 1HB ALA 43 4.523 17.692 -16.227 369 2HB ALA 43 2HB ALA 43 3.334 17.729 -17.529 370 3HB ALA 43 3HB ALA 43 3.741 16.200 -16.750 371 H MET 44 H MET 44 0.746 15.893 -14.578 372 HA MET 44 HA MET 44 -0.863 15.666 -17.023 373 1HB MET 44 3HB MET 44 -1.100 14.388 -14.275 374 2HB MET 44 2HB MET 44 -2.184 14.052 -15.618 375 1HG MET 44 2HG MET 44 0.432 13.801 -16.647 376 2HG MET 44 1HG MET 44 0.424 12.959 -15.099 377 1HE MET 44 1HE MET 44 -1.964 12.289 -14.446 378 2HE MET 44 2HE MET 44 -2.067 10.599 -14.932 379 3HE MET 44 3HE MET 44 -3.223 11.764 -15.570 380 H THR 45 H THR 45 -3.233 15.344 -14.883 381 HA THR 45 HA THR 45 -3.658 18.228 -14.363 382 HB THR 45 HB THR 45 -6.092 17.557 -15.385 383 HG1 THR 45 HG1 THR 45 -5.192 16.691 -17.534 384 1HG2 THR 45 1HG2 THR 45 -3.713 18.692 -16.880 385 2HG2 THR 45 2HG2 THR 45 -4.792 19.606 -15.826 386 3HG2 THR 45 3HG2 THR 45 -5.404 18.914 -17.328 387 H ASN 46 H ASN 46 -3.643 15.281 -13.083 388 HA ASN 46 HA ASN 46 -4.565 14.465 -11.078 389 1HB ASN 46 3HB ASN 46 -4.977 17.267 -10.972 390 2HB ASN 46 2HB ASN 46 -6.507 16.518 -10.510 391 1HD2 ASN 46 1HD2 ASN 46 -4.278 17.889 -8.856 392 2HD2 ASN 46 2HD2 ASN 46 -3.946 16.768 -7.625 393 H LEU 47 H LEU 47 -7.109 16.294 -12.792 394 HA LEU 47 HA LEU 47 -9.121 14.293 -12.253 395 1HB LEU 47 3HB LEU 47 -8.954 16.712 -14.030 396 2HB LEU 47 2HB LEU 47 -10.296 15.581 -14.214 397 HG LEU 47 HG LEU 47 -10.833 17.427 -12.630 398 1HD1 LEU 47 1HD1 LEU 47 -11.182 14.647 -12.283 399 2HD1 LEU 47 2HD1 LEU 47 -12.148 15.936 -11.563 400 3HD1 LEU 47 3HD1 LEU 47 -10.764 15.277 -10.690 401 1HD2 LEU 47 1HD2 LEU 47 -8.327 17.422 -11.844 402 2HD2 LEU 47 2HD2 LEU 47 -8.874 16.186 -10.711 403 3HD2 LEU 47 3HD2 LEU 47 -9.593 17.796 -10.675 404 H GLU 48 H GLU 48 -6.640 14.626 -14.633 405 HA GLU 48 HA GLU 48 -7.926 12.868 -16.577 406 1HB GLU 48 3HB GLU 48 -6.155 14.691 -17.049 407 2HB GLU 48 2HB GLU 48 -4.982 13.500 -16.488 408 1HG GLU 48 2HG GLU 48 -5.174 13.293 -18.895 409 2HG GLU 48 1HG GLU 48 -5.929 11.880 -18.157 410 H LYS 49 H LYS 49 -6.626 12.336 -13.596 411 HA LYS 49 HA LYS 49 -5.185 9.849 -14.211 412 1HB LYS 49 3HB LYS 49 -5.798 11.449 -11.756 413 2HB LYS 49 2HB LYS 49 -5.381 9.747 -11.566 414 1HG LYS 49 2HG LYS 49 -3.279 10.724 -11.480 415 2HG LYS 49 1HG LYS 49 -3.403 10.368 -13.203 416 1HD LYS 49 2HD LYS 49 -3.712 12.584 -13.778 417 2HD LYS 49 1HD LYS 49 -4.466 12.988 -12.237 418 1HE LYS 49 2HE LYS 49 -1.529 12.317 -12.555 419 2HE LYS 49 1HE LYS 49 -2.166 13.961 -12.510 420 1HZ LYS 49 1HZ LYS 49 -3.305 12.803 -10.349 421 2HZ LYS 49 2HZ LYS 49 -1.919 13.784 -10.318 422 3HZ LYS 49 3HZ LYS 49 -1.765 12.092 -10.364 423 H GLN 50 H GLN 50 -8.276 10.399 -14.554 424 HA GLN 50 HA GLN 50 -9.671 8.703 -12.762 425 1HB GLN 50 3HB GLN 50 -10.506 8.935 -15.636 426 2HB GLN 50 2HB GLN 50 -11.499 8.919 -14.185 427 1HG GLN 50 2HG GLN 50 -9.935 11.130 -13.757 428 2HG GLN 50 1HG GLN 50 -10.160 11.177 -15.507 429 1HE2 GLN 50 1HE2 GLN 50 -11.518 12.398 -12.778 430 2HE2 GLN 50 2HE2 GLN 50 -13.145 12.472 -13.257 431 HA PRO 51 HA PRO 51 -9.058 5.171 -15.921 432 1HB PRO 51 3HB PRO 51 -7.122 5.492 -17.824 433 2HB PRO 51 2HB PRO 51 -8.811 5.957 -18.034 434 1HG PRO 51 2HG PRO 51 -6.441 7.701 -17.581 435 2HG PRO 51 1HG PRO 51 -7.963 8.072 -18.408 436 1HD PRO 51 2HD PRO 51 -7.271 8.833 -15.771 437 2HD PRO 51 1HD PRO 51 -8.890 8.923 -16.494 438 H TYR 52 H TYR 52 -5.930 6.847 -15.450 439 HA TYR 52 HA TYR 52 -4.455 4.408 -15.042 440 1HB TYR 52 3HB TYR 52 -3.615 6.967 -13.722 441 2HB TYR 52 2HB TYR 52 -2.631 5.772 -14.568 442 HD1 TYR 52 HD1 TYR 52 -4.226 5.454 -17.070 443 HD2 TYR 52 HD2 TYR 52 -3.108 8.973 -14.879 444 HE1 TYR 52 HE1 TYR 52 -4.383 6.792 -19.146 445 HE2 TYR 52 HE2 TYR 52 -3.264 10.316 -16.955 446 HH TYR 52 HH TYR 52 -3.330 8.997 -19.996 447 H TYR 53 H TYR 53 -6.774 6.034 -13.200 448 HA TYR 53 HA TYR 53 -5.675 5.199 -10.616 449 1HB TYR 53 3HB TYR 53 -7.886 6.880 -11.537 450 2HB TYR 53 2HB TYR 53 -8.309 5.876 -10.155 451 HD1 TYR 53 HD1 TYR 53 -8.120 7.102 -8.173 452 HD2 TYR 53 HD2 TYR 53 -5.123 7.561 -11.216 453 HE1 TYR 53 HE1 TYR 53 -6.820 8.579 -6.670 454 HE2 TYR 53 HE2 TYR 53 -3.824 9.040 -9.714 455 HH TYR 53 HH TYR 53 -4.991 9.796 -6.420 456 H GLU 54 H GLU 54 -8.639 4.400 -12.438 457 HA GLU 54 HA GLU 54 -9.281 2.128 -10.828 458 1HB GLU 54 3HB GLU 54 -10.026 2.145 -13.688 459 2HB GLU 54 2HB GLU 54 -11.003 1.738 -12.291 460 1HG GLU 54 2HG GLU 54 -10.733 4.272 -11.692 461 2HG GLU 54 1HG GLU 54 -10.345 4.447 -13.404 462 H GLU 55 H GLU 55 -7.080 2.606 -13.491 463 HA GLU 55 HA GLU 55 -6.775 -0.139 -14.229 464 1HB GLU 55 3HB GLU 55 -5.385 2.373 -14.705 465 2HB GLU 55 2HB GLU 55 -4.318 0.974 -14.698 466 1HG GLU 55 2HG GLU 55 -6.724 0.328 -16.131 467 2HG GLU 55 1HG GLU 55 -6.050 1.823 -16.777 468 H GLN 56 H GLN 56 -5.826 1.614 -11.440 469 HA GLN 56 HA GLN 56 -3.623 -0.206 -10.764 470 1HB GLN 56 3HB GLN 56 -3.138 1.265 -9.080 471 2HB GLN 56 2HB GLN 56 -4.034 2.365 -10.102 472 1HG GLN 56 2HG GLN 56 -6.022 2.076 -8.747 473 2HG GLN 56 1HG GLN 56 -5.263 0.777 -7.827 474 1HE2 GLN 56 1HE2 GLN 56 -2.732 1.851 -7.289 475 2HE2 GLN 56 2HE2 GLN 56 -2.895 3.251 -6.343 476 H ALA 57 H ALA 57 -6.808 0.584 -9.470 477 HA ALA 57 HA ALA 57 -6.942 -1.486 -7.555 478 1HB ALA 57 1HB ALA 57 -8.774 -0.204 -7.173 479 2HB ALA 57 2HB ALA 57 -9.558 -1.194 -8.403 480 3HB ALA 57 3HB ALA 57 -8.830 0.350 -8.847 481 H ARG 58 H ARG 58 -7.418 -1.513 -11.024 482 HA ARG 58 HA ARG 58 -8.740 -4.076 -11.150 483 1HB ARG 58 3HB ARG 58 -7.217 -2.400 -13.143 484 2HB ARG 58 2HB ARG 58 -7.843 -3.995 -13.566 485 1HG ARG 58 2HG ARG 58 -10.048 -2.950 -12.413 486 2HG ARG 58 1HG ARG 58 -9.311 -1.468 -13.024 487 1HD ARG 58 2HD ARG 58 -10.666 -2.232 -14.808 488 2HD ARG 58 1HD ARG 58 -9.035 -2.732 -15.251 489 HE ARG 58 HE ARG 58 -9.633 -5.021 -14.506 490 1HH1 ARG 58 1HH1 ARG 58 -11.530 -4.329 -16.731 491 2HH1 ARG 58 2HH1 ARG 58 -13.059 -4.776 -16.053 492 1HH2 ARG 58 1HH2 ARG 58 -11.878 -4.897 -12.795 493 2HH2 ARG 58 2HH2 ARG 58 -13.256 -5.098 -13.825 494 H LEU 59 H LEU 59 -5.398 -3.182 -12.032 495 HA LEU 59 HA LEU 59 -4.392 -5.803 -12.240 496 1HB LEU 59 3HB LEU 59 -2.166 -4.739 -11.725 497 2HB LEU 59 2HB LEU 59 -3.066 -3.930 -13.002 498 HG LEU 59 HG LEU 59 -4.004 -2.456 -11.065 499 1HD1 LEU 59 1HD1 LEU 59 -2.088 -4.147 -9.701 500 2HD1 LEU 59 2HD1 LEU 59 -3.210 -2.972 -9.014 501 3HD1 LEU 59 3HD1 LEU 59 -1.616 -2.453 -9.562 502 1HD2 LEU 59 1HD2 LEU 59 -2.711 -1.017 -12.222 503 2HD2 LEU 59 2HD2 LEU 59 -1.626 -2.321 -12.708 504 3HD2 LEU 59 3HD2 LEU 59 -1.360 -1.474 -11.184 505 H SER 60 H SER 60 -5.131 -3.877 -9.413 506 HA SER 60 HA SER 60 -3.652 -5.609 -7.570 507 1HB SER 60 3HB SER 60 -4.201 -3.176 -7.109 508 2HB SER 60 2HB SER 60 -5.887 -3.655 -6.934 509 HG SER 60 HG SER 60 -4.928 -5.269 -5.380 510 H LYS 61 H LYS 61 -6.861 -5.336 -8.916 511 HA LYS 61 HA LYS 61 -8.082 -7.295 -7.139 512 1HB LYS 61 3HB LYS 61 -9.102 -5.388 -8.753 513 2HB LYS 61 2HB LYS 61 -9.215 -6.771 -9.843 514 1HG LYS 61 2HG LYS 61 -11.172 -7.198 -8.768 515 2HG LYS 61 1HG LYS 61 -10.142 -7.842 -7.489 516 1HD LYS 61 2HD LYS 61 -10.453 -6.020 -6.130 517 2HD LYS 61 1HD LYS 61 -10.584 -4.900 -7.486 518 1HE LYS 61 2HE LYS 61 -12.843 -5.349 -7.816 519 2HE LYS 61 1HE LYS 61 -12.738 -6.945 -7.074 520 1HZ LYS 61 1HZ LYS 61 -13.836 -5.051 -5.767 521 2HZ LYS 61 2HZ LYS 61 -12.248 -4.517 -5.479 522 3HZ LYS 61 3HZ LYS 61 -12.738 -6.057 -4.957 523 H GLN 62 H GLN 62 -6.470 -7.287 -10.264 524 HA GLN 62 HA GLN 62 -7.157 -9.989 -11.004 525 1HB GLN 62 3HB GLN 62 -5.020 -8.041 -11.858 526 2HB GLN 62 2HB GLN 62 -5.013 -9.702 -12.450 527 1HG GLN 62 2HG GLN 62 -7.551 -9.202 -12.978 528 2HG GLN 62 1HG GLN 62 -7.011 -7.523 -12.950 529 1HE2 GLN 62 1HE2 GLN 62 -5.388 -10.517 -14.150 530 2HE2 GLN 62 2HE2 GLN 62 -5.115 -9.916 -15.713 531 H HIS 63 H HIS 63 -4.774 -8.573 -8.889 532 HA HIS 63 HA HIS 63 -3.001 -10.865 -8.807 533 1HB HIS 63 3HB HIS 63 -2.242 -8.635 -8.115 534 2HB HIS 63 2HB HIS 63 -3.419 -8.629 -6.806 535 HD1 HIS 63 HD1 HIS 63 -2.030 -11.954 -7.289 536 HD2 HIS 63 HD2 HIS 63 -0.912 -8.548 -5.160 537 HE1 HIS 63 HE1 HIS 63 -0.332 -12.710 -5.570 538 H LEU 64 H LEU 64 -5.227 -9.590 -6.336 539 HA LEU 64 HA LEU 64 -5.120 -11.872 -4.675 540 1HB LEU 64 3HB LEU 64 -7.056 -9.619 -5.019 541 2HB LEU 64 2HB LEU 64 -7.517 -10.983 -4.003 542 HG LEU 64 HG LEU 64 -4.823 -10.261 -3.363 543 1HD1 LEU 64 1HD1 LEU 64 -5.616 -7.942 -2.374 544 2HD1 LEU 64 2HD1 LEU 64 -6.754 -7.991 -3.721 545 3HD1 LEU 64 3HD1 LEU 64 -5.018 -8.040 -4.029 546 1HD2 LEU 64 1HD2 LEU 64 -7.380 -10.793 -2.104 547 2HD2 LEU 64 2HD2 LEU 64 -6.574 -9.439 -1.311 548 3HD2 LEU 64 3HD2 LEU 64 -5.757 -10.996 -1.444 549 H GLU 65 H GLU 65 -7.437 -11.111 -7.253 550 HA GLU 65 HA GLU 65 -9.126 -13.332 -6.939 551 1HB GLU 65 3HB GLU 65 -9.771 -12.990 -9.213 552 2HB GLU 65 2HB GLU 65 -9.377 -11.400 -8.564 553 1HG GLU 65 2HG GLU 65 -7.250 -11.388 -9.649 554 2HG GLU 65 1HG GLU 65 -7.382 -13.091 -10.081 555 H LYS 66 H LYS 66 -5.916 -13.079 -8.098 556 HA LYS 66 HA LYS 66 -5.863 -15.643 -9.490 557 1HB LYS 66 3HB LYS 66 -3.821 -13.592 -8.718 558 2HB LYS 66 2HB LYS 66 -3.284 -15.198 -9.191 559 1HG LYS 66 2HG LYS 66 -5.340 -14.086 -10.966 560 2HG LYS 66 1HG LYS 66 -3.853 -13.139 -10.932 561 1HD LYS 66 2HD LYS 66 -3.197 -14.664 -12.513 562 2HD LYS 66 1HD LYS 66 -2.797 -15.622 -11.085 563 1HE LYS 66 2HE LYS 66 -5.021 -16.693 -11.178 564 2HE LYS 66 1HE LYS 66 -5.421 -15.738 -12.606 565 1HZ LYS 66 1HZ LYS 66 -3.483 -17.934 -12.325 566 2HZ LYS 66 2HZ LYS 66 -3.251 -16.757 -13.529 567 3HZ LYS 66 3HZ LYS 66 -4.667 -17.695 -13.514 568 H TYR 67 H TYR 67 -5.147 -14.515 -6.247 569 HA TYR 67 HA TYR 67 -4.273 -17.276 -5.515 570 1HB TYR 67 3HB TYR 67 -3.844 -14.580 -4.226 571 2HB TYR 67 2HB TYR 67 -3.568 -16.083 -3.343 572 HD1 TYR 67 HD1 TYR 67 -1.310 -16.655 -3.255 573 HD2 TYR 67 HD2 TYR 67 -2.894 -14.914 -6.848 574 HE1 TYR 67 HE1 TYR 67 0.908 -16.881 -4.342 575 HE2 TYR 67 HE2 TYR 67 -0.677 -15.141 -7.934 576 HH TYR 67 HH TYR 67 2.130 -15.658 -6.287 577 HA PRO 68 HA PRO 68 -8.477 -17.213 -3.770 578 1HB PRO 68 3HB PRO 68 -8.807 -19.920 -3.999 579 2HB PRO 68 2HB PRO 68 -9.113 -18.793 -5.321 580 1HG PRO 68 2HG PRO 68 -6.814 -20.649 -4.947 581 2HG PRO 68 1HG PRO 68 -7.523 -20.032 -6.448 582 1HD PRO 68 2HD PRO 68 -5.152 -19.085 -5.249 583 2HD PRO 68 1HD PRO 68 -6.082 -18.252 -6.510 584 H ASP 69 H ASP 69 -6.387 -20.006 -3.185 585 HA ASP 69 HA ASP 69 -7.192 -20.331 -0.461 586 1HB ASP 69 3HB ASP 69 -5.443 -22.026 -0.343 587 2HB ASP 69 2HB ASP 69 -6.304 -22.182 -1.874 588 H TYR 70 H TYR 70 -6.547 -17.731 -0.485 589 HA TYR 70 HA TYR 70 -3.804 -17.173 0.124 590 1HB TYR 70 3HB TYR 70 -4.896 -15.030 1.124 591 2HB TYR 70 2HB TYR 70 -5.000 -15.301 -0.613 592 HD1 TYR 70 HD1 TYR 70 -6.913 -16.714 2.308 593 HD2 TYR 70 HD2 TYR 70 -7.056 -14.562 -1.408 594 HE1 TYR 70 HE1 TYR 70 -9.385 -16.677 2.426 595 HE2 TYR 70 HE2 TYR 70 -9.531 -14.523 -1.286 596 HH TYR 70 HH TYR 70 -11.267 -14.706 0.937 Start of MODEL 2 1 HA PRO 1 HA PRO 1 13.016 -10.183 -4.897 2 1HB PRO 1 3HB PRO 1 11.424 -11.944 -6.508 3 2HB PRO 1 2HB PRO 1 12.527 -12.369 -5.190 4 1HG PRO 1 2HG PRO 1 9.660 -12.417 -5.180 5 2HG PRO 1 1HG PRO 1 10.767 -12.856 -3.871 6 1HD PRO 1 2HD PRO 1 9.102 -10.540 -4.046 7 2HD PRO 1 1HD PRO 1 10.243 -10.964 -2.765 8 H HIS 2 H HIS 2 9.900 -9.691 -6.598 9 HA HIS 2 HA HIS 2 10.949 -7.659 -8.313 10 1HB HIS 2 3HB HIS 2 10.900 -9.024 -10.448 11 2HB HIS 2 2HB HIS 2 12.248 -9.387 -9.372 12 HD1 HIS 2 HD1 HIS 2 12.101 -11.765 -10.766 13 HD2 HIS 2 HD2 HIS 2 9.058 -10.992 -8.024 14 HE1 HIS 2 HE1 HIS 2 10.983 -13.988 -10.290 15 H ILE 3 H ILE 3 8.644 -7.605 -6.953 16 HA ILE 3 HA ILE 3 6.542 -8.179 -8.999 17 HB ILE 3 HB ILE 3 5.093 -7.938 -6.742 18 1HG1 ILE 3 2HG1 ILE 3 7.826 -8.931 -5.923 19 2HG1 ILE 3 1HG1 ILE 3 6.889 -7.626 -5.200 20 1HG2 ILE 3 1HG2 ILE 3 5.906 -9.998 -8.475 21 2HG2 ILE 3 2HG2 ILE 3 4.568 -10.049 -7.328 22 3HG2 ILE 3 3HG2 ILE 3 6.163 -10.629 -6.849 23 1HD1 ILE 3 1HD1 ILE 3 5.142 -9.714 -4.968 24 2HD1 ILE 3 2HD1 ILE 3 6.263 -9.220 -3.698 25 3HD1 ILE 3 3HD1 ILE 3 6.688 -10.544 -4.784 26 H LYS 4 H LYS 4 6.383 -6.210 -9.988 27 HA LYS 4 HA LYS 4 6.594 -3.684 -8.603 28 1HB LYS 4 3HB LYS 4 6.667 -4.431 -11.233 29 2HB LYS 4 2HB LYS 4 5.049 -3.733 -11.124 30 1HG LYS 4 2HG LYS 4 6.256 -1.812 -11.548 31 2HG LYS 4 1HG LYS 4 6.357 -1.833 -9.787 32 1HD LYS 4 2HD LYS 4 8.503 -3.262 -10.155 33 2HD LYS 4 1HD LYS 4 8.451 -2.630 -11.801 34 1HE LYS 4 2HE LYS 4 7.995 -0.430 -10.067 35 2HE LYS 4 1HE LYS 4 9.369 -1.321 -9.411 36 1HZ LYS 4 1HZ LYS 4 9.295 -0.875 -12.297 37 2HZ LYS 4 2HZ LYS 4 10.623 -0.927 -11.240 38 3HZ LYS 4 3HZ LYS 4 9.648 0.461 -11.312 39 H ARG 5 H ARG 5 5.093 -3.876 -6.852 40 HA ARG 5 HA ARG 5 2.325 -4.521 -7.178 41 1HB ARG 5 3HB ARG 5 4.013 -3.975 -5.045 42 2HB ARG 5 2HB ARG 5 2.882 -2.622 -5.027 43 1HG ARG 5 2HG ARG 5 1.052 -3.973 -4.609 44 2HG ARG 5 1HG ARG 5 1.769 -5.370 -5.414 45 1HD ARG 5 2HD ARG 5 1.926 -5.990 -3.168 46 2HD ARG 5 1HD ARG 5 3.508 -5.262 -3.450 47 HE ARG 5 HE ARG 5 1.251 -3.760 -2.179 48 1HH1 ARG 5 1HH2 ARG 5 4.206 -5.284 -1.655 49 2HH1 ARG 5 2HH2 ARG 5 4.927 -3.970 -0.787 50 1HH2 ARG 5 1HH1 ARG 5 2.322 -1.772 -1.428 51 2HH2 ARG 5 2HH1 ARG 5 3.860 -1.981 -0.658 52 HA PRO 6 HA PRO 6 1.310 -0.609 -9.156 53 1HB PRO 6 3HB PRO 6 -1.198 -1.419 -9.937 54 2HB PRO 6 2HB PRO 6 0.281 -1.814 -10.831 55 1HG PRO 6 2HG PRO 6 -1.387 -3.570 -9.095 56 2HG PRO 6 1HG PRO 6 -0.329 -4.007 -10.447 57 1HD PRO 6 2HD PRO 6 0.299 -4.281 -7.699 58 2HD PRO 6 1HD PRO 6 1.444 -4.387 -9.048 59 H MET 7 H MET 7 1.248 0.340 -6.960 60 HA MET 7 HA MET 7 -1.416 0.339 -5.661 61 1HB MET 7 3HB MET 7 1.367 0.926 -4.822 62 2HB MET 7 2HB MET 7 0.029 1.595 -3.913 63 1HG MET 7 2HG MET 7 -0.272 -1.250 -4.575 64 2HG MET 7 1HG MET 7 1.102 -0.902 -3.531 65 1HE MET 7 1HE MET 7 -1.835 1.411 -3.865 66 2HE MET 7 2HE MET 7 -3.041 0.852 -2.710 67 3HE MET 7 3HE MET 7 -2.686 -0.117 -4.138 68 H ASN 8 H ASN 8 0.775 2.147 -7.505 69 HA ASN 8 HA ASN 8 -0.741 4.650 -7.021 70 1HB ASN 8 3HB ASN 8 1.664 5.319 -8.232 71 2HB ASN 8 2HB ASN 8 1.256 5.516 -6.539 72 1HD2 ASN 8 1HD2 ASN 8 1.482 3.171 -5.331 73 2HD2 ASN 8 2HD2 ASN 8 2.961 2.397 -5.638 74 H ALA 9 H ALA 9 -1.629 5.612 -8.743 75 HA ALA 9 HA ALA 9 -1.850 4.240 -11.263 76 1HB ALA 9 1HB ALA 9 -2.427 7.162 -10.841 77 2HB ALA 9 2HB ALA 9 -3.472 5.919 -10.153 78 3HB ALA 9 3HB ALA 9 -3.254 6.020 -11.898 79 H PHE 10 H PHE 10 0.470 6.335 -9.938 80 HA PHE 10 HA PHE 10 1.411 7.591 -12.328 81 1HB PHE 10 3HB PHE 10 1.957 8.570 -10.285 82 2HB PHE 10 2HB PHE 10 2.558 7.061 -9.622 83 HD1 PHE 10 HD1 PHE 10 4.846 6.479 -9.819 84 HD2 PHE 10 HD2 PHE 10 3.210 9.613 -12.247 85 HE1 PHE 10 HE1 PHE 10 7.128 7.068 -10.597 86 HE2 PHE 10 HE2 PHE 10 5.483 10.204 -13.022 87 HZ PHE 10 HZ PHE 10 7.447 8.933 -12.201 88 H MET 11 H MET 11 2.832 4.911 -10.427 89 HA MET 11 HA MET 11 4.723 4.258 -12.485 90 1HB MET 11 3HB MET 11 3.567 2.694 -10.162 91 2HB MET 11 2HB MET 11 4.700 1.958 -11.296 92 1HG MET 11 2HG MET 11 5.774 4.486 -10.557 93 2HG MET 11 1HG MET 11 5.274 3.677 -9.073 94 1HE MET 11 1HE MET 11 6.888 2.890 -7.854 95 2HE MET 11 2HE MET 11 8.045 1.615 -8.224 96 3HE MET 11 3HE MET 11 6.321 1.259 -8.240 97 H VAL 12 H VAL 12 1.349 3.903 -12.141 98 HA VAL 12 HA VAL 12 1.118 1.619 -13.955 99 HB VAL 12 HB VAL 12 -0.826 3.484 -12.591 100 1HG1 VAL 12 1HG1 VAL 12 -2.566 1.856 -13.726 101 2HG1 VAL 12 2HG1 VAL 12 -1.306 1.702 -14.951 102 3HG1 VAL 12 3HG1 VAL 12 -1.991 3.285 -14.583 103 1HG2 VAL 12 1HG2 VAL 12 -1.607 0.869 -12.194 104 2HG2 VAL 12 2HG2 VAL 12 -0.613 1.814 -11.083 105 3HG2 VAL 12 3HG2 VAL 12 0.151 0.739 -12.255 106 H TRP 13 H TRP 13 0.443 5.073 -13.929 107 HA TRP 13 HA TRP 13 -0.217 5.048 -16.794 108 1HB TRP 13 3HB TRP 13 -1.376 6.749 -15.834 109 2HB TRP 13 2HB TRP 13 -0.222 6.923 -14.524 110 HD1 TRP 13 HD1 TRP 13 -1.393 8.520 -17.589 111 HE1 TRP 13 HE1 TRP 13 0.101 10.509 -18.159 112 HE3 TRP 13 HE3 TRP 13 2.563 7.657 -14.481 113 HZ2 TRP 13 HZ2 TRP 13 2.637 11.598 -17.487 114 HZ3 TRP 13 HZ3 TRP 13 4.514 9.176 -14.485 115 HH2 TRP 13 HH2 TRP 13 4.555 11.153 -15.973 116 H ALA 14 H ALA 14 2.506 5.832 -14.771 117 HA ALA 14 HA ALA 14 4.132 7.007 -16.840 118 1HB ALA 14 1HB ALA 14 4.249 7.151 -14.211 119 2HB ALA 14 2HB ALA 14 5.701 7.280 -15.191 120 3HB ALA 14 3HB ALA 14 5.305 5.756 -14.405 121 H LYS 15 H LYS 15 3.560 3.709 -15.780 122 HA LYS 15 HA LYS 15 5.978 2.630 -16.840 123 1HB LYS 15 3HB LYS 15 4.836 0.442 -16.735 124 2HB LYS 15 2HB LYS 15 4.604 1.354 -15.245 125 1HG LYS 15 2HG LYS 15 2.370 1.720 -15.652 126 2HG LYS 15 1HG LYS 15 2.573 1.701 -17.406 127 1HD LYS 15 2HD LYS 15 3.298 -0.852 -16.774 128 2HD LYS 15 1HD LYS 15 2.082 -0.539 -15.537 129 1HE LYS 15 2HE LYS 15 0.381 -0.204 -17.108 130 2HE LYS 15 1HE LYS 15 1.517 0.185 -18.400 131 1HZ LYS 15 1HZ LYS 15 0.353 -2.237 -17.978 132 2HZ LYS 15 2HZ LYS 15 1.909 -2.442 -17.329 133 3HZ LYS 15 3HZ LYS 15 1.717 -1.949 -18.944 134 H ASP 16 H ASP 16 2.971 3.614 -18.208 135 HA ASP 16 HA ASP 16 3.691 2.402 -20.809 136 1HB ASP 16 3HB ASP 16 1.225 2.857 -19.555 137 2HB ASP 16 2HB ASP 16 1.316 4.096 -20.806 138 H GLU 17 H GLU 17 3.399 5.386 -19.077 139 HA GLU 17 HA GLU 17 3.787 7.181 -21.284 140 1HB GLU 17 3HB GLU 17 3.430 7.276 -18.449 141 2HB GLU 17 2HB GLU 17 4.816 8.274 -18.867 142 1HG GLU 17 2HG GLU 17 2.867 8.759 -20.835 143 2HG GLU 17 1HG GLU 17 2.010 8.756 -19.300 144 H ARG 18 H ARG 18 5.913 5.445 -19.068 145 HA ARG 18 HA ARG 18 8.334 6.743 -20.079 146 1HB ARG 18 3HB ARG 18 9.532 4.996 -18.774 147 2HB ARG 18 2HB ARG 18 8.344 5.847 -17.795 148 1HG ARG 18 2HG ARG 18 7.549 3.807 -17.244 149 2HG ARG 18 1HG ARG 18 6.887 3.750 -18.875 150 1HD ARG 18 2HD ARG 18 9.447 3.009 -19.380 151 2HD ARG 18 1HD ARG 18 9.256 2.372 -17.746 152 HE ARG 18 HE ARG 18 7.448 1.637 -20.015 153 1HH1 ARG 18 1HH1 ARG 18 9.900 0.336 -18.271 154 2HH1 ARG 18 2HH1 ARG 18 9.010 -0.992 -17.604 155 1HH2 ARG 18 1HH2 ARG 18 5.925 0.221 -18.629 156 2HH2 ARG 18 2HH2 ARG 18 6.757 -1.056 -17.806 157 H ARG 19 H ARG 19 6.469 3.827 -20.629 158 HA ARG 19 HA ARG 19 8.341 2.646 -22.467 159 1HB ARG 19 3HB ARG 19 6.855 0.936 -22.406 160 2HB ARG 19 2HB ARG 19 6.003 1.855 -21.196 161 1HG ARG 19 2HG ARG 19 4.215 1.895 -22.541 162 2HG ARG 19 1HG ARG 19 5.111 2.857 -23.701 163 1HD ARG 19 2HD ARG 19 5.947 0.103 -23.867 164 2HD ARG 19 1HD ARG 19 4.196 0.213 -24.029 165 HE ARG 19 HE ARG 19 6.134 1.128 -25.977 166 1HH1 ARG 19 1HH2 ARG 19 2.913 0.567 -25.454 167 2HH1 ARG 19 2HH2 ARG 19 2.324 1.859 -26.446 168 1HH2 ARG 19 1HH1 ARG 19 5.446 3.300 -26.884 169 2HH2 ARG 19 2HH1 ARG 19 3.756 3.405 -27.256 170 H LYS 20 H LYS 20 5.608 4.841 -22.639 171 HA LYS 20 HA LYS 20 5.638 5.055 -25.501 172 1HB LYS 20 3HB LYS 20 4.350 6.625 -23.289 173 2HB LYS 20 2HB LYS 20 4.273 7.195 -24.958 174 1HG LYS 20 2HG LYS 20 3.456 4.822 -25.538 175 2HG LYS 20 1HG LYS 20 3.185 4.624 -23.809 176 1HD LYS 20 2HD LYS 20 1.307 5.861 -23.877 177 2HD LYS 20 1HD LYS 20 2.124 7.159 -24.748 178 1HE LYS 20 2HE LYS 20 1.428 6.405 -26.794 179 2HE LYS 20 1HE LYS 20 1.559 4.711 -26.324 180 1HZ LYS 20 1HZ LYS 20 -0.448 5.122 -24.896 181 2HZ LYS 20 2HZ LYS 20 -0.724 5.157 -26.571 182 3HZ LYS 20 3HZ LYS 20 -0.626 6.608 -25.691 183 H ILE 21 H ILE 21 7.510 6.414 -22.985 184 HA ILE 21 HA ILE 21 8.461 8.586 -24.752 185 HB ILE 21 HB ILE 21 8.194 8.270 -21.894 186 1HG1 ILE 21 2HG1 ILE 21 9.341 10.778 -22.872 187 2HG1 ILE 21 1HG1 ILE 21 7.955 10.246 -23.823 188 1HG2 ILE 21 1HG2 ILE 21 10.983 8.833 -22.918 189 2HG2 ILE 21 2HG2 ILE 21 10.490 7.680 -21.679 190 3HG2 ILE 21 3HG2 ILE 21 10.427 9.411 -21.348 191 1HD1 ILE 21 1HD1 ILE 21 7.907 10.308 -20.801 192 2HD1 ILE 21 2HD1 ILE 21 6.538 10.179 -21.906 193 3HD1 ILE 21 3HD1 ILE 21 7.429 11.695 -21.779 194 H LEU 22 H LEU 22 9.709 5.854 -22.896 195 HA LEU 22 HA LEU 22 12.397 5.912 -23.618 196 1HB LEU 22 3HB LEU 22 10.926 4.216 -22.242 197 2HB LEU 22 2HB LEU 22 10.898 3.339 -23.770 198 HG LEU 22 HG LEU 22 13.432 3.681 -23.826 199 1HD1 LEU 22 1HD1 LEU 22 13.246 3.880 -20.853 200 2HD1 LEU 22 2HD1 LEU 22 13.043 5.360 -21.790 201 3HD1 LEU 22 3HD1 LEU 22 14.528 4.421 -21.937 202 1HD2 LEU 22 1HD2 LEU 22 13.684 1.792 -22.109 203 2HD2 LEU 22 2HD2 LEU 22 12.570 1.521 -23.450 204 3HD2 LEU 22 3HD2 LEU 22 11.947 1.960 -21.858 205 H GLN 23 H GLN 23 9.608 5.092 -25.502 206 HA GLN 23 HA GLN 23 10.913 3.774 -27.667 207 1HB GLN 23 3HB GLN 23 8.911 4.265 -28.919 208 2HB GLN 23 2HB GLN 23 8.430 3.856 -27.277 209 1HG GLN 23 2HG GLN 23 8.467 6.282 -26.738 210 2HG GLN 23 1HG GLN 23 8.753 6.612 -28.441 211 1HE2 GLN 23 1HE2 GLN 23 6.560 7.788 -28.232 212 2HE2 GLN 23 2HE2 GLN 23 5.151 6.860 -28.419 213 H ALA 24 H ALA 24 10.185 6.986 -26.810 214 HA ALA 24 HA ALA 24 11.505 8.134 -29.168 215 1HB ALA 24 1HB ALA 24 9.718 9.501 -28.784 216 2HB ALA 24 2HB ALA 24 10.823 10.273 -27.647 217 3HB ALA 24 3HB ALA 24 9.653 9.085 -27.072 218 H PHE 25 H PHE 25 12.325 7.144 -26.059 219 HA PHE 25 HA PHE 25 14.894 8.576 -26.214 220 1HB PHE 25 3HB PHE 25 13.078 8.560 -23.779 221 2HB PHE 25 2HB PHE 25 14.745 9.130 -23.784 222 HD1 PHE 25 HD1 PHE 25 15.006 10.569 -26.289 223 HD2 PHE 25 HD2 PHE 25 11.689 10.438 -23.564 224 HE1 PHE 25 HE1 PHE 25 14.251 12.787 -27.101 225 HE2 PHE 25 HE2 PHE 25 10.934 12.654 -24.376 226 HZ PHE 25 HZ PHE 25 12.214 13.829 -26.144 227 HA PRO 26 HA PRO 26 15.060 4.041 -25.225 228 1HB PRO 26 3HB PRO 26 16.922 3.524 -27.181 229 2HB PRO 26 2HB PRO 26 15.171 3.439 -27.426 230 1HG PRO 26 2HG PRO 26 17.084 5.599 -28.252 231 2HG PRO 26 1HG PRO 26 15.611 5.034 -29.063 232 1HD PRO 26 2HD PRO 26 15.728 7.356 -27.536 233 2HD PRO 26 1HD PRO 26 14.244 6.440 -27.837 234 H ASP 27 H ASP 27 17.022 6.735 -24.996 235 HA ASP 27 HA ASP 27 19.312 5.206 -23.879 236 1HB ASP 27 3HB ASP 27 19.078 7.681 -25.316 237 2HB ASP 27 2HB ASP 27 19.829 7.961 -23.751 238 H MET 28 H MET 28 16.798 7.513 -23.224 239 HA MET 28 HA MET 28 17.478 8.143 -20.521 240 1HB MET 28 3HB MET 28 15.654 9.141 -22.204 241 2HB MET 28 2HB MET 28 14.640 8.027 -21.297 242 1HG MET 28 2HG MET 28 15.124 9.065 -19.234 243 2HG MET 28 1HG MET 28 16.507 9.927 -19.905 244 1HE MET 28 1HE MET 28 15.238 12.504 -22.177 245 2HE MET 28 2HE MET 28 14.744 10.971 -22.893 246 3HE MET 28 3HE MET 28 16.283 11.082 -22.042 247 H HIS 29 H HIS 29 18.019 6.222 -19.527 248 HA HIS 29 HA HIS 29 16.221 3.956 -19.630 249 1HB HIS 29 3HB HIS 29 17.819 2.843 -18.273 250 2HB HIS 29 2HB HIS 29 18.734 3.871 -19.372 251 HD1 HIS 29 HD1 HIS 29 20.031 3.054 -16.718 252 HD2 HIS 29 HD2 HIS 29 17.799 6.540 -17.195 253 HE1 HIS 29 HE1 HIS 29 20.789 4.643 -14.899 254 H ASN 30 H ASN 30 16.231 3.082 -16.943 255 HA ASN 30 HA ASN 30 13.871 4.327 -15.966 256 1HB ASN 30 3HB ASN 30 14.882 1.996 -15.426 257 2HB ASN 30 2HB ASN 30 15.774 2.847 -14.163 258 1HD2 ASN 30 1HD2 ASN 30 14.158 1.147 -12.977 259 2HD2 ASN 30 2HD2 ASN 30 12.698 1.840 -12.456 260 H SER 31 H SER 31 17.089 4.429 -14.377 261 HA SER 31 HA SER 31 16.576 6.263 -12.403 262 1HB SER 31 3HB SER 31 18.787 6.124 -12.131 263 2HB SER 31 2HB SER 31 18.887 5.285 -13.670 264 HG SER 31 HG SER 31 19.860 7.634 -13.087 265 H ASN 32 H ASN 32 16.598 6.981 -15.830 266 HA ASN 32 HA ASN 32 16.489 9.881 -15.194 267 1HB ASN 32 3HB ASN 32 17.643 8.394 -17.323 268 2HB ASN 32 2HB ASN 32 16.429 9.486 -17.974 269 1HD2 ASN 32 1HD2 ASN 32 17.348 11.462 -18.528 270 2HD2 ASN 32 2HD2 ASN 32 18.596 12.232 -17.674 271 H ILE 33 H ILE 33 14.800 7.526 -17.282 272 HA ILE 33 HA ILE 33 12.619 9.151 -18.003 273 HB ILE 33 HB ILE 33 12.738 6.178 -17.454 274 1HG1 ILE 33 2HG1 ILE 33 14.093 7.194 -19.331 275 2HG1 ILE 33 1HG1 ILE 33 12.919 5.986 -19.848 276 1HG2 ILE 33 1HG2 ILE 33 10.475 6.239 -17.468 277 2HG2 ILE 33 2HG2 ILE 33 10.617 6.633 -19.181 278 3HG2 ILE 33 3HG2 ILE 33 10.447 7.923 -17.991 279 1HD1 ILE 33 1HD1 ILE 33 12.352 7.617 -21.354 280 2HD1 ILE 33 2HD1 ILE 33 12.962 8.917 -20.333 281 3HD1 ILE 33 3HD1 ILE 33 11.382 8.212 -20.010 282 H SER 34 H SER 34 13.257 7.430 -15.018 283 HA SER 34 HA SER 34 10.724 7.538 -13.787 284 1HB SER 34 3HB SER 34 13.475 7.187 -12.979 285 2HB SER 34 2HB SER 34 12.603 8.155 -11.795 286 HG SER 34 HG SER 34 12.068 5.543 -12.731 287 H LYS 35 H LYS 35 13.325 9.987 -13.755 288 HA LYS 35 HA LYS 35 11.831 11.877 -12.209 289 1HB LYS 35 3HB LYS 35 14.058 12.450 -14.188 290 2HB LYS 35 2HB LYS 35 13.554 13.472 -12.840 291 1HG LYS 35 2HG LYS 35 14.478 12.055 -11.242 292 2HG LYS 35 1HG LYS 35 14.393 10.644 -12.295 293 1HD LYS 35 2HD LYS 35 16.444 11.042 -13.156 294 2HD LYS 35 1HD LYS 35 16.087 12.752 -13.405 295 1HE LYS 35 2HE LYS 35 16.824 11.519 -10.734 296 2HE LYS 35 1HE LYS 35 17.945 12.390 -11.779 297 1HZ LYS 35 1HZ LYS 35 15.903 14.112 -11.622 298 2HZ LYS 35 2HZ LYS 35 17.265 14.156 -10.608 299 3HZ LYS 35 3HZ LYS 35 15.834 13.404 -10.082 300 H ILE 36 H ILE 36 12.068 11.015 -15.539 301 HA ILE 36 HA ILE 36 10.766 13.304 -16.638 302 HB ILE 36 HB ILE 36 11.379 10.562 -17.544 303 1HG1 ILE 36 2HG1 ILE 36 12.369 11.882 -19.450 304 2HG1 ILE 36 1HG1 ILE 36 11.877 13.347 -18.602 305 1HG2 ILE 36 1HG2 ILE 36 9.364 12.389 -18.853 306 2HG2 ILE 36 2HG2 ILE 36 9.154 10.698 -18.404 307 3HG2 ILE 36 3HG2 ILE 36 10.214 11.128 -19.745 308 1HD1 ILE 36 1HD1 ILE 36 13.189 12.527 -16.605 309 2HD1 ILE 36 2HD1 ILE 36 14.176 12.919 -18.014 310 3HD1 ILE 36 3HD1 ILE 36 13.817 11.235 -17.629 311 H LEU 37 H LEU 37 9.608 10.027 -16.019 312 HA LEU 37 HA LEU 37 6.873 10.329 -16.455 313 1HB LEU 37 3HB LEU 37 8.407 8.784 -14.377 314 2HB LEU 37 2HB LEU 37 6.668 8.651 -14.570 315 HG LEU 37 HG LEU 37 8.739 8.102 -16.706 316 1HD1 LEU 37 1HD1 LEU 37 7.042 5.895 -16.087 317 2HD1 LEU 37 2HD1 LEU 37 7.688 6.535 -14.575 318 3HD1 LEU 37 3HD1 LEU 37 8.786 6.032 -15.860 319 1HD2 LEU 37 1HD2 LEU 37 6.404 7.024 -17.613 320 2HD2 LEU 37 2HD2 LEU 37 6.966 8.635 -18.060 321 3HD2 LEU 37 3HD2 LEU 37 5.789 8.438 -16.761 322 H GLY 38 H GLY 38 8.531 10.605 -13.326 323 1HA GLY 38 2HA GLY 38 6.353 11.590 -11.820 324 2HA GLY 38 1HA GLY 38 8.046 11.893 -11.423 325 H SER 39 H SER 39 8.108 13.105 -14.322 326 HA SER 39 HA SER 39 7.261 15.781 -13.414 327 1HB SER 39 3HB SER 39 9.537 14.826 -14.879 328 2HB SER 39 2HB SER 39 8.622 15.918 -15.910 329 HG SER 39 HG SER 39 9.046 17.534 -14.594 330 H ARG 40 H ARG 40 6.499 13.182 -15.453 331 HA ARG 40 HA ARG 40 4.903 14.785 -17.313 332 1HB ARG 40 3HB ARG 40 5.838 12.005 -17.026 333 2HB ARG 40 2HB ARG 40 4.328 12.238 -17.875 334 1HG ARG 40 2HG ARG 40 6.082 14.234 -18.817 335 2HG ARG 40 1HG ARG 40 7.009 12.735 -18.795 336 1HD ARG 40 2HD ARG 40 5.540 11.653 -20.250 337 2HD ARG 40 1HD ARG 40 4.227 12.782 -19.924 338 HE ARG 40 HE ARG 40 6.653 13.523 -21.512 339 1HH1 ARG 40 1HH2 ARG 40 3.979 14.946 -20.206 340 2HH1 ARG 40 2HH2 ARG 40 3.293 15.500 -21.697 341 1HH2 ARG 40 1HH1 ARG 40 5.486 13.692 -23.684 342 2HH2 ARG 40 2HH1 ARG 40 4.147 14.790 -23.667 343 H TRP 41 H TRP 41 4.766 12.791 -14.513 344 HA TRP 41 HA TRP 41 1.953 12.349 -14.331 345 1HB TRP 41 3HB TRP 41 3.783 11.167 -13.072 346 2HB TRP 41 2HB TRP 41 3.965 12.622 -12.103 347 HD1 TRP 41 HD1 TRP 41 2.519 12.654 -10.003 348 HE1 TRP 41 HE1 TRP 41 0.326 11.476 -9.237 349 HE3 TRP 41 HE3 TRP 41 1.353 10.192 -14.253 350 HZ2 TRP 41 HZ2 TRP 41 -1.657 9.702 -10.361 351 HZ3 TRP 41 HZ3 TRP 41 -0.661 8.776 -14.401 352 HH2 TRP 41 HH2 TRP 41 -2.165 8.549 -12.523 353 H LYS 42 H LYS 42 4.067 14.586 -12.528 354 HA LYS 42 HA LYS 42 1.941 16.041 -11.333 355 1HB LYS 42 3HB LYS 42 4.845 16.351 -11.658 356 2HB LYS 42 2HB LYS 42 3.994 17.896 -11.665 357 1HG LYS 42 2HG LYS 42 2.733 16.917 -9.591 358 2HG LYS 42 1HG LYS 42 4.105 15.812 -9.502 359 1HD LYS 42 2HD LYS 42 5.663 17.668 -9.347 360 2HD LYS 42 1HD LYS 42 4.362 18.831 -9.613 361 1HE LYS 42 2HE LYS 42 3.695 17.058 -7.424 362 2HE LYS 42 1HE LYS 42 5.255 17.831 -7.136 363 1HZ LYS 42 1HZ LYS 42 3.583 19.263 -6.298 364 2HZ LYS 42 2HZ LYS 42 2.666 19.154 -7.724 365 3HZ LYS 42 3HZ LYS 42 4.156 19.970 -7.729 366 H ALA 43 H ALA 43 3.328 15.961 -14.463 367 HA ALA 43 HA ALA 43 2.369 18.508 -15.372 368 1HB ALA 43 1HB ALA 43 3.076 17.668 -17.594 369 2HB ALA 43 2HB ALA 43 3.332 16.073 -16.887 370 3HB ALA 43 3HB ALA 43 4.334 17.432 -16.380 371 H MET 44 H MET 44 0.783 15.717 -14.558 372 HA MET 44 HA MET 44 -1.129 15.638 -16.764 373 1HB MET 44 3HB MET 44 -1.061 14.270 -14.057 374 2HB MET 44 2HB MET 44 -2.277 13.966 -15.290 375 1HG MET 44 2HG MET 44 0.267 13.791 -16.549 376 2HG MET 44 1HG MET 44 0.331 12.827 -15.075 377 1HE MET 44 1HE MET 44 -1.702 11.824 -14.252 378 2HE MET 44 2HE MET 44 -2.227 10.371 -15.098 379 3HE MET 44 3HE MET 44 -3.214 11.829 -15.171 380 H THR 45 H THR 45 -3.485 15.265 -15.005 381 HA THR 45 HA THR 45 -3.787 18.041 -13.954 382 HB THR 45 HB THR 45 -6.222 17.699 -14.934 383 HG1 THR 45 HG1 THR 45 -4.634 16.294 -16.796 384 1HG2 THR 45 1HG2 THR 45 -4.457 18.338 -17.161 385 2HG2 THR 45 2HG2 THR 45 -3.927 19.111 -15.667 386 3HG2 THR 45 3HG2 THR 45 -5.558 19.393 -16.277 387 H ASN 46 H ASN 46 -3.810 14.909 -13.151 388 HA ASN 46 HA ASN 46 -4.587 13.883 -11.168 389 1HB ASN 46 3HB ASN 46 -5.123 16.586 -10.694 390 2HB ASN 46 2HB ASN 46 -6.675 15.782 -10.456 391 1HD2 ASN 46 1HD2 ASN 46 -6.320 16.325 -8.085 392 2HD2 ASN 46 2HD2 ASN 46 -5.342 15.295 -7.157 393 H LEU 47 H LEU 47 -7.215 15.676 -12.784 394 HA LEU 47 HA LEU 47 -9.179 13.631 -12.417 395 1HB LEU 47 3HB LEU 47 -9.088 16.195 -13.591 396 2HB LEU 47 2HB LEU 47 -9.613 15.096 -14.868 397 HG LEU 47 HG LEU 47 -10.817 15.008 -12.101 398 1HD1 LEU 47 1HD1 LEU 47 -12.386 16.621 -12.645 399 2HD1 LEU 47 2HD1 LEU 47 -12.191 16.375 -14.381 400 3HD1 LEU 47 3HD1 LEU 47 -10.972 17.273 -13.474 401 1HD2 LEU 47 1HD2 LEU 47 -11.194 13.054 -13.518 402 2HD2 LEU 47 2HD2 LEU 47 -11.719 14.086 -14.848 403 3HD2 LEU 47 3HD2 LEU 47 -12.695 13.970 -13.383 404 H GLU 48 H GLU 48 -6.699 14.160 -14.848 405 HA GLU 48 HA GLU 48 -7.698 12.037 -16.598 406 1HB GLU 48 3HB GLU 48 -5.534 14.034 -16.647 407 2HB GLU 48 2HB GLU 48 -5.092 12.482 -17.361 408 1HG GLU 48 2HG GLU 48 -6.400 12.837 -19.165 409 2HG GLU 48 1HG GLU 48 -7.768 13.321 -18.162 410 H LYS 49 H LYS 49 -5.731 12.282 -13.802 411 HA LYS 49 HA LYS 49 -4.282 9.768 -14.299 412 1HB LYS 49 3HB LYS 49 -2.834 10.885 -12.969 413 2HB LYS 49 2HB LYS 49 -4.065 12.044 -12.494 414 1HG LYS 49 2HG LYS 49 -4.908 10.143 -10.916 415 2HG LYS 49 1HG LYS 49 -3.315 9.439 -11.179 416 1HD LYS 49 2HD LYS 49 -2.303 11.619 -10.475 417 2HD LYS 49 1HD LYS 49 -3.921 12.204 -10.091 418 1HE LYS 49 2HE LYS 49 -3.394 9.591 -8.905 419 2HE LYS 49 1HE LYS 49 -2.236 10.806 -8.367 420 1HZ LYS 49 1HZ LYS 49 -3.915 11.185 -6.905 421 2HZ LYS 49 2HZ LYS 49 -5.134 10.695 -7.980 422 3HZ LYS 49 3HZ LYS 49 -4.417 12.225 -8.147 423 H GLN 50 H GLN 50 -7.346 10.607 -13.227 424 HA GLN 50 HA GLN 50 -7.829 8.838 -11.074 425 1HB GLN 50 3HB GLN 50 -9.719 9.758 -13.250 426 2HB GLN 50 2HB GLN 50 -10.195 9.052 -11.708 427 1HG GLN 50 2HG GLN 50 -8.592 10.971 -10.770 428 2HG GLN 50 1HG GLN 50 -9.059 11.742 -12.287 429 1HE2 GLN 50 1HE2 GLN 50 -10.996 9.606 -10.117 430 2HE2 GLN 50 2HE2 GLN 50 -12.229 10.742 -9.857 431 HA PRO 51 HA PRO 51 -9.183 5.595 -14.327 432 1HB PRO 51 3HB PRO 51 -8.135 5.849 -16.844 433 2HB PRO 51 2HB PRO 51 -9.692 6.505 -16.333 434 1HG PRO 51 2HG PRO 51 -7.131 7.944 -16.823 435 2HG PRO 51 1HG PRO 51 -8.793 8.542 -16.950 436 1HD PRO 51 2HD PRO 51 -7.025 9.013 -14.802 437 2HD PRO 51 1HD PRO 51 -8.775 9.312 -14.789 438 H TYR 52 H TYR 52 -5.908 6.896 -14.463 439 HA TYR 52 HA TYR 52 -4.696 4.315 -15.069 440 1HB TYR 52 3HB TYR 52 -3.299 6.586 -13.658 441 2HB TYR 52 2HB TYR 52 -2.613 5.394 -14.767 442 HD1 TYR 52 HD1 TYR 52 -4.898 5.452 -16.782 443 HD2 TYR 52 HD2 TYR 52 -2.666 8.571 -14.866 444 HE1 TYR 52 HE1 TYR 52 -5.381 6.953 -18.682 445 HE2 TYR 52 HE2 TYR 52 -3.144 10.080 -16.765 446 HH TYR 52 HH TYR 52 -4.281 10.345 -18.668 447 H TYR 53 H TYR 53 -6.320 5.552 -12.456 448 HA TYR 53 HA TYR 53 -4.728 4.244 -10.370 449 1HB TYR 53 3HB TYR 53 -6.894 6.146 -10.533 450 2HB TYR 53 2HB TYR 53 -7.328 4.841 -9.441 451 HD1 TYR 53 HD1 TYR 53 -6.071 7.989 -9.359 452 HD2 TYR 53 HD2 TYR 53 -4.938 4.035 -8.117 453 HE1 TYR 53 HE1 TYR 53 -4.596 8.954 -7.617 454 HE2 TYR 53 HE2 TYR 53 -3.465 5.003 -6.376 455 HH TYR 53 HH TYR 53 -2.212 7.544 -6.234 456 H GLU 54 H GLU 54 -8.129 3.869 -11.376 457 HA GLU 54 HA GLU 54 -8.442 1.249 -10.333 458 1HB GLU 54 3HB GLU 54 -10.352 1.109 -11.955 459 2HB GLU 54 2HB GLU 54 -10.381 2.578 -10.984 460 1HG GLU 54 2HG GLU 54 -10.540 3.676 -12.961 461 2HG GLU 54 1HG GLU 54 -8.821 3.315 -13.140 462 H GLU 55 H GLU 55 -7.038 2.490 -13.274 463 HA GLU 55 HA GLU 55 -6.969 0.038 -14.749 464 1HB GLU 55 3HB GLU 55 -5.619 2.653 -14.892 465 2HB GLU 55 2HB GLU 55 -4.808 1.317 -15.697 466 1HG GLU 55 2HG GLU 55 -7.519 1.049 -16.380 467 2HG GLU 55 1HG GLU 55 -7.189 2.776 -16.506 468 H GLN 56 H GLN 56 -5.299 1.142 -11.973 469 HA GLN 56 HA GLN 56 -2.912 -0.486 -12.327 470 1HB GLN 56 3HB GLN 56 -2.239 0.380 -10.302 471 2HB GLN 56 2HB GLN 56 -3.388 1.621 -10.752 472 1HG GLN 56 2HG GLN 56 -5.090 0.594 -9.332 473 2HG GLN 56 1HG GLN 56 -4.026 -0.764 -8.984 474 1HE2 GLN 56 1HE2 GLN 56 -5.200 1.387 -7.147 475 2HE2 GLN 56 2HE2 GLN 56 -3.851 2.037 -6.350 476 H ALA 57 H ALA 57 -5.832 -0.673 -10.390 477 HA ALA 57 HA ALA 57 -5.454 -3.163 -9.176 478 1HB ALA 57 1HB ALA 57 -8.003 -3.324 -9.265 479 2HB ALA 57 2HB ALA 57 -7.967 -1.816 -10.180 480 3HB ALA 57 3HB ALA 57 -7.352 -1.859 -8.528 481 H ARG 58 H ARG 58 -6.604 -2.438 -12.442 482 HA ARG 58 HA ARG 58 -7.248 -5.172 -13.108 483 1HB ARG 58 3HB ARG 58 -6.620 -2.754 -14.819 484 2HB ARG 58 2HB ARG 58 -7.100 -4.313 -15.488 485 1HG ARG 58 2HG ARG 58 -8.726 -2.707 -13.493 486 2HG ARG 58 1HG ARG 58 -9.039 -2.779 -15.228 487 1HD ARG 58 2HD ARG 58 -9.111 -5.111 -13.290 488 2HD ARG 58 1HD ARG 58 -10.496 -4.368 -14.088 489 HE ARG 58 HE ARG 58 -9.349 -5.145 -16.269 490 1HH1 ARG 58 1HH1 ARG 58 -10.458 -7.107 -13.922 491 2HH1 ARG 58 2HH1 ARG 58 -9.432 -8.461 -14.255 492 1HH2 ARG 58 1HH2 ARG 58 -7.360 -6.700 -16.406 493 2HH2 ARG 58 2HH2 ARG 58 -7.678 -8.231 -15.662 494 H LEU 59 H LEU 59 -4.510 -3.110 -14.092 495 HA LEU 59 HA LEU 59 -2.974 -5.235 -15.198 496 1HB LEU 59 3HB LEU 59 -1.030 -3.650 -14.860 497 2HB LEU 59 2HB LEU 59 -2.374 -2.991 -15.780 498 HG LEU 59 HG LEU 59 -3.157 -2.215 -13.333 499 1HD1 LEU 59 1HD1 LEU 59 -0.129 -2.187 -13.170 500 2HD1 LEU 59 2HD1 LEU 59 -1.155 -3.325 -12.295 501 3HD1 LEU 59 3HD1 LEU 59 -1.264 -1.599 -11.954 502 1HD2 LEU 59 1HD2 LEU 59 -2.834 -0.679 -15.180 503 2HD2 LEU 59 2HD2 LEU 59 -1.087 -0.902 -15.121 504 3HD2 LEU 59 3HD2 LEU 59 -1.910 -0.058 -13.812 505 H SER 60 H SER 60 -3.772 -4.608 -11.955 506 HA SER 60 HA SER 60 -1.306 -5.665 -10.786 507 1HB SER 60 3HB SER 60 -2.287 -5.194 -8.756 508 2HB SER 60 2HB SER 60 -3.324 -4.180 -9.753 509 HG SER 60 HG SER 60 -4.640 -5.487 -8.535 510 H LYS 61 H LYS 61 -4.458 -6.808 -11.780 511 HA LYS 61 HA LYS 61 -4.292 -9.458 -10.704 512 1HB LYS 61 3HB LYS 61 -6.127 -7.953 -12.185 513 2HB LYS 61 2HB LYS 61 -5.691 -9.291 -13.248 514 1HG LYS 61 2HG LYS 61 -7.318 -10.379 -12.048 515 2HG LYS 61 1HG LYS 61 -5.982 -10.644 -10.926 516 1HD LYS 61 2HD LYS 61 -7.553 -9.729 -9.484 517 2HD LYS 61 1HD LYS 61 -6.715 -8.268 -10.008 518 1HE LYS 61 2HE LYS 61 -8.856 -7.582 -10.466 519 2HE LYS 61 1HE LYS 61 -8.545 -8.436 -11.978 520 1HZ LYS 61 1HZ LYS 61 -10.633 -8.954 -10.461 521 2HZ LYS 61 2HZ LYS 61 -9.527 -10.020 -9.737 522 3HZ LYS 61 3HZ LYS 61 -9.875 -10.149 -11.395 523 H GLN 62 H GLN 62 -3.573 -8.169 -13.949 524 HA GLN 62 HA GLN 62 -2.562 -10.604 -15.035 525 1HB GLN 62 3HB GLN 62 -1.665 -9.277 -16.809 526 2HB GLN 62 2HB GLN 62 -3.135 -8.450 -16.298 527 1HG GLN 62 2HG GLN 62 -1.916 -6.595 -15.938 528 2HG GLN 62 1HG GLN 62 -1.057 -7.449 -14.659 529 1HE2 GLN 62 1HE2 GLN 62 1.163 -7.685 -14.997 530 2HE2 GLN 62 2HE2 GLN 62 1.931 -7.589 -16.508 531 H HIS 63 H HIS 63 -1.174 -8.249 -12.875 532 HA HIS 63 HA HIS 63 1.584 -8.752 -13.214 533 1HB HIS 63 3HB HIS 63 0.674 -7.007 -11.703 534 2HB HIS 63 2HB HIS 63 0.107 -8.269 -10.613 535 HD1 HIS 63 HD1 HIS 63 3.174 -9.470 -11.952 536 HD2 HIS 63 HD2 HIS 63 2.211 -6.705 -8.984 537 HE1 HIS 63 HE1 HIS 63 5.244 -9.213 -10.513 538 H LEU 64 H LEU 64 -0.496 -10.214 -10.718 539 HA LEU 64 HA LEU 64 1.237 -12.200 -9.848 540 1HB LEU 64 3HB LEU 64 -1.743 -12.533 -10.297 541 2HB LEU 64 2HB LEU 64 -0.745 -13.478 -9.197 542 HG LEU 64 HG LEU 64 -0.312 -10.704 -8.639 543 1HD1 LEU 64 1HD1 LEU 64 -2.425 -9.803 -8.352 544 2HD1 LEU 64 2HD1 LEU 64 -3.185 -11.382 -8.161 545 3HD1 LEU 64 3HD1 LEU 64 -2.729 -10.812 -9.767 546 1HD2 LEU 64 1HD2 LEU 64 0.006 -12.507 -7.028 547 2HD2 LEU 64 2HD2 LEU 64 -1.694 -12.957 -7.147 548 3HD2 LEU 64 3HD2 LEU 64 -1.240 -11.417 -6.417 549 H GLU 65 H GLU 65 -0.865 -12.283 -12.696 550 HA GLU 65 HA GLU 65 -0.408 -14.946 -13.487 551 1HB GLU 65 3HB GLU 65 -0.512 -12.679 -15.468 552 2HB GLU 65 2HB GLU 65 -1.160 -14.310 -15.636 553 1HG GLU 65 2HG GLU 65 -2.216 -12.067 -13.904 554 2HG GLU 65 1HG GLU 65 -3.034 -12.899 -15.221 555 H LYS 66 H LYS 66 1.694 -12.227 -13.429 556 HA LYS 66 HA LYS 66 3.577 -13.202 -15.418 557 1HB LYS 66 3HB LYS 66 3.815 -11.112 -13.237 558 2HB LYS 66 2HB LYS 66 5.069 -11.441 -14.426 559 1HG LYS 66 2HG LYS 66 2.646 -11.157 -15.869 560 2HG LYS 66 1HG LYS 66 2.715 -9.820 -14.719 561 1HD LYS 66 2HD LYS 66 3.978 -8.866 -16.379 562 2HD LYS 66 1HD LYS 66 5.267 -9.773 -15.586 563 1HE LYS 66 2HE LYS 66 4.975 -11.625 -17.154 564 2HE LYS 66 1HE LYS 66 3.615 -10.798 -17.914 565 1HZ LYS 66 1HZ LYS 66 5.235 -10.082 -19.288 566 2HZ LYS 66 2HZ LYS 66 6.468 -10.278 -18.136 567 3HZ LYS 66 3HZ LYS 66 5.460 -8.911 -18.081 568 H TYR 67 H TYR 67 3.769 -12.910 -11.865 569 HA TYR 67 HA TYR 67 5.447 -15.378 -11.876 570 1HB TYR 67 3HB TYR 67 5.957 -12.952 -10.136 571 2HB TYR 67 2HB TYR 67 6.933 -14.417 -10.221 572 HD1 TYR 67 HD1 TYR 67 7.852 -15.054 -12.598 573 HD2 TYR 67 HD2 TYR 67 6.509 -11.125 -11.497 574 HE1 TYR 67 HE1 TYR 67 9.159 -14.083 -14.468 575 HE2 TYR 67 HE2 TYR 67 7.815 -10.154 -13.368 576 HH TYR 67 HH TYR 67 9.850 -12.209 -15.448 577 HA PRO 68 HA PRO 68 1.985 -15.490 -8.774 578 1HB PRO 68 3HB PRO 68 0.621 -17.563 -9.931 579 2HB PRO 68 2HB PRO 68 0.315 -15.868 -10.321 580 1HG PRO 68 2HG PRO 68 1.722 -17.933 -11.940 581 2HG PRO 68 1HG PRO 68 0.860 -16.482 -12.479 582 1HD PRO 68 2HD PRO 68 3.672 -16.766 -12.266 583 2HD PRO 68 1HD PRO 68 2.787 -15.244 -12.498 584 H ASP 69 H ASP 69 2.758 -18.495 -10.471 585 HA ASP 69 HA ASP 69 3.277 -19.846 -7.942 586 1HB ASP 69 3HB ASP 69 3.511 -20.977 -10.735 587 2HB ASP 69 2HB ASP 69 3.339 -21.881 -9.230 588 H TYR 70 H TYR 70 5.200 -18.042 -7.990 589 HA TYR 70 HA TYR 70 7.523 -18.580 -9.514 590 1HB TYR 70 3HB TYR 70 7.023 -16.547 -8.018 591 2HB TYR 70 2HB TYR 70 7.573 -17.552 -6.676 592 HD1 TYR 70 HD1 TYR 70 8.755 -17.239 -10.218 593 HD2 TYR 70 HD2 TYR 70 9.714 -16.845 -6.050 594 HE1 TYR 70 HE1 TYR 70 11.111 -16.739 -10.808 595 HE2 TYR 70 HE2 TYR 70 12.072 -16.344 -6.640 596 HH TYR 70 HH TYR 70 13.132 -16.257 -10.050 Start of MODEL 3 1 HA PRO 1 HA PRO 1 11.994 -8.435 -7.569 2 1HB PRO 1 3HB PRO 1 9.900 -6.536 -8.045 3 2HB PRO 1 2HB PRO 1 11.648 -6.274 -8.130 4 1HG PRO 1 2HG PRO 1 9.781 -6.430 -10.300 5 2HG PRO 1 1HG PRO 1 11.528 -6.162 -10.379 6 1HD PRO 1 2HD PRO 1 10.082 -8.522 -11.107 7 2HD PRO 1 1HD PRO 1 11.827 -8.255 -11.164 8 H HIS 2 H HIS 2 8.655 -8.846 -8.782 9 HA HIS 2 HA HIS 2 6.721 -9.576 -7.683 10 1HB HIS 2 3HB HIS 2 8.652 -10.866 -5.738 11 2HB HIS 2 2HB HIS 2 7.003 -11.369 -6.104 12 HD1 HIS 2 HD1 HIS 2 6.820 -11.600 -9.017 13 HD2 HIS 2 HD2 HIS 2 10.352 -12.598 -7.040 14 HE1 HIS 2 HE1 HIS 2 8.105 -13.129 -10.574 15 H ILE 3 H ILE 3 7.255 -6.997 -7.054 16 HA ILE 3 HA ILE 3 6.590 -6.899 -4.149 17 HB ILE 3 HB ILE 3 7.918 -4.504 -4.631 18 1HG1 ILE 3 2HG1 ILE 3 9.656 -6.741 -5.687 19 2HG1 ILE 3 1HG1 ILE 3 8.767 -5.658 -6.757 20 1HG2 ILE 3 1HG2 ILE 3 9.575 -6.677 -3.526 21 2HG2 ILE 3 2HG2 ILE 3 7.969 -6.550 -2.806 22 3HG2 ILE 3 3HG2 ILE 3 9.061 -5.164 -2.781 23 1HD1 ILE 3 1HD1 ILE 3 10.608 -4.622 -4.597 24 2HD1 ILE 3 2HD1 ILE 3 9.960 -3.748 -5.985 25 3HD1 ILE 3 3HD1 ILE 3 11.185 -4.994 -6.221 26 H LYS 4 H LYS 4 5.507 -4.793 -3.581 27 HA LYS 4 HA LYS 4 3.423 -4.220 -5.514 28 1HB LYS 4 3HB LYS 4 4.000 -3.579 -2.719 29 2HB LYS 4 2HB LYS 4 3.292 -2.218 -3.590 30 1HG LYS 4 2HG LYS 4 1.381 -3.503 -4.235 31 2HG LYS 4 1HG LYS 4 2.136 -5.011 -3.717 32 1HD LYS 4 2HD LYS 4 1.784 -2.824 -1.701 33 2HD LYS 4 1HD LYS 4 0.376 -3.780 -2.160 34 1HE LYS 4 2HE LYS 4 2.238 -5.745 -1.806 35 2HE LYS 4 1HE LYS 4 2.758 -4.568 -0.600 36 1HZ LYS 4 1HZ LYS 4 -0.043 -5.498 -0.876 37 2HZ LYS 4 2HZ LYS 4 0.620 -4.574 0.386 38 3HZ LYS 4 3HZ LYS 4 1.074 -6.200 0.190 39 H ARG 5 H ARG 5 4.981 -3.510 -7.255 40 HA ARG 5 HA ARG 5 6.376 -0.983 -6.901 41 1HB ARG 5 3HB ARG 5 6.245 -3.047 -8.892 42 2HB ARG 5 2HB ARG 5 5.936 -1.492 -9.666 43 1HG ARG 5 2HG ARG 5 8.220 -1.843 -7.727 44 2HG ARG 5 1HG ARG 5 8.402 -2.238 -9.436 45 1HD ARG 5 2HD ARG 5 7.194 0.401 -8.727 46 2HD ARG 5 1HD ARG 5 8.935 0.207 -8.533 47 HE ARG 5 HE ARG 5 7.459 0.060 -11.107 48 1HH1 ARG 5 1HH1 ARG 5 10.159 1.209 -9.522 49 2HH1 ARG 5 2HH1 ARG 5 11.290 0.825 -10.777 50 1HH2 ARG 5 1HH2 ARG 5 9.009 -1.007 -12.637 51 2HH2 ARG 5 2HH2 ARG 5 10.638 -0.428 -12.540 52 HA PRO 6 HA PRO 6 2.681 0.712 -9.412 53 1HB PRO 6 3HB PRO 6 0.631 -1.019 -9.990 54 2HB PRO 6 2HB PRO 6 2.039 -0.792 -11.043 55 1HG PRO 6 2HG PRO 6 1.387 -3.083 -9.254 56 2HG PRO 6 1HG PRO 6 2.392 -3.047 -10.713 57 1HD PRO 6 2HD PRO 6 3.330 -3.066 -8.033 58 2HD PRO 6 1HD PRO 6 4.297 -2.745 -9.485 59 H MET 7 H MET 7 2.579 1.396 -7.033 60 HA MET 7 HA MET 7 0.199 0.358 -5.607 61 1HB MET 7 3HB MET 7 2.666 1.833 -4.883 62 2HB MET 7 2HB MET 7 1.252 2.007 -3.861 63 1HG MET 7 2HG MET 7 1.377 -0.714 -4.313 64 2HG MET 7 1HG MET 7 3.074 -0.267 -4.172 65 1HE MET 7 1HE MET 7 3.259 1.804 -1.056 66 2HE MET 7 2HE MET 7 1.963 2.553 -1.985 67 3HE MET 7 3HE MET 7 3.376 1.911 -2.818 68 H ASN 8 H ASN 8 1.498 2.958 -7.369 69 HA ASN 8 HA ASN 8 -0.834 4.678 -6.745 70 1HB ASN 8 3HB ASN 8 1.073 6.316 -7.849 71 2HB ASN 8 2HB ASN 8 0.791 6.136 -6.125 72 1HD2 ASN 8 1HD2 ASN 8 2.183 4.474 -4.983 73 2HD2 ASN 8 2HD2 ASN 8 3.727 4.140 -5.605 74 H ALA 9 H ALA 9 -1.689 5.831 -8.587 75 HA ALA 9 HA ALA 9 -1.814 4.301 -11.001 76 1HB ALA 9 1HB ALA 9 -2.437 7.236 -10.745 77 2HB ALA 9 2HB ALA 9 -3.497 5.994 -10.082 78 3HB ALA 9 3HB ALA 9 -3.186 6.056 -11.816 79 H PHE 10 H PHE 10 0.489 6.463 -9.804 80 HA PHE 10 HA PHE 10 1.401 7.672 -12.210 81 1HB PHE 10 3HB PHE 10 2.031 8.626 -10.179 82 2HB PHE 10 2HB PHE 10 2.609 7.097 -9.537 83 HD1 PHE 10 HD1 PHE 10 4.867 6.438 -9.818 84 HD2 PHE 10 HD2 PHE 10 3.262 9.659 -12.153 85 HE1 PHE 10 HE1 PHE 10 7.141 6.958 -10.661 86 HE2 PHE 10 HE2 PHE 10 5.524 10.181 -12.990 87 HZ PHE 10 HZ PHE 10 7.472 8.833 -12.251 88 H MET 11 H MET 11 3.100 5.140 -10.341 89 HA MET 11 HA MET 11 4.777 4.379 -12.503 90 1HB MET 11 3HB MET 11 3.761 2.758 -10.141 91 2HB MET 11 2HB MET 11 5.024 2.209 -11.247 92 1HG MET 11 2HG MET 11 5.995 4.657 -10.634 93 2HG MET 11 1HG MET 11 5.132 4.302 -9.139 94 1HE MET 11 1HE MET 11 8.060 4.302 -8.034 95 2HE MET 11 2HE MET 11 7.943 4.942 -9.672 96 3HE MET 11 3HE MET 11 9.141 3.704 -9.301 97 H VAL 12 H VAL 12 1.443 3.955 -11.898 98 HA VAL 12 HA VAL 12 1.093 1.622 -13.586 99 HB VAL 12 HB VAL 12 -0.740 3.625 -12.272 100 1HG1 VAL 12 1HG1 VAL 12 -1.408 1.599 -14.374 101 2HG1 VAL 12 2HG1 VAL 12 -1.996 3.251 -14.185 102 3HG1 VAL 12 3HG1 VAL 12 -2.580 1.978 -13.113 103 1HG2 VAL 12 1HG2 VAL 12 -0.362 2.093 -10.630 104 2HG2 VAL 12 2HG2 VAL 12 0.175 0.860 -11.772 105 3HG2 VAL 12 3HG2 VAL 12 -1.548 1.133 -11.514 106 H TRP 13 H TRP 13 0.389 5.075 -13.750 107 HA TRP 13 HA TRP 13 -0.368 4.873 -16.584 108 1HB TRP 13 3HB TRP 13 -1.506 6.631 -15.728 109 2HB TRP 13 2HB TRP 13 -0.361 6.845 -14.417 110 HD1 TRP 13 HD1 TRP 13 -1.529 8.357 -17.502 111 HE1 TRP 13 HE1 TRP 13 -0.021 10.314 -18.156 112 HE3 TRP 13 HE3 TRP 13 2.475 7.554 -14.423 113 HZ2 TRP 13 HZ2 TRP 13 2.541 11.398 -17.548 114 HZ3 TRP 13 HZ3 TRP 13 4.433 9.053 -14.494 115 HH2 TRP 13 HH2 TRP 13 4.470 10.983 -16.044 116 H ALA 14 H ALA 14 2.412 5.731 -14.707 117 HA ALA 14 HA ALA 14 3.979 6.843 -16.848 118 1HB ALA 14 1HB ALA 14 5.475 7.291 -15.208 119 2HB ALA 14 2HB ALA 14 5.381 5.662 -14.542 120 3HB ALA 14 3HB ALA 14 4.151 6.854 -14.136 121 H LYS 15 H LYS 15 3.187 3.612 -15.907 122 HA LYS 15 HA LYS 15 5.551 2.314 -16.826 123 1HB LYS 15 3HB LYS 15 4.330 0.282 -16.670 124 2HB LYS 15 2HB LYS 15 3.627 1.311 -15.425 125 1HG LYS 15 2HG LYS 15 1.697 0.566 -16.468 126 2HG LYS 15 1HG LYS 15 2.008 2.026 -17.406 127 1HD LYS 15 2HD LYS 15 2.329 0.829 -19.287 128 2HD LYS 15 1HD LYS 15 3.503 -0.212 -18.482 129 1HE LYS 15 2HE LYS 15 0.786 -0.765 -17.586 130 2HE LYS 15 1HE LYS 15 0.946 -0.959 -19.331 131 1HZ LYS 15 1HZ LYS 15 3.197 -2.054 -18.022 132 2HZ LYS 15 2HZ LYS 15 2.066 -2.828 -19.026 133 3HZ LYS 15 3HZ LYS 15 1.782 -2.710 -17.356 134 H ASP 16 H ASP 16 2.645 3.466 -18.386 135 HA ASP 16 HA ASP 16 3.518 2.354 -20.969 136 1HB ASP 16 3HB ASP 16 1.069 2.394 -20.246 137 2HB ASP 16 2HB ASP 16 1.133 4.146 -20.442 138 H GLU 17 H GLU 17 3.329 5.308 -19.174 139 HA GLU 17 HA GLU 17 3.991 7.100 -21.323 140 1HB GLU 17 3HB GLU 17 3.489 7.183 -18.500 141 2HB GLU 17 2HB GLU 17 4.953 8.097 -18.844 142 1HG GLU 17 2HG GLU 17 3.089 8.697 -20.886 143 2HG GLU 17 1HG GLU 17 2.216 8.779 -19.361 144 H ARG 18 H ARG 18 5.758 5.066 -19.107 145 HA ARG 18 HA ARG 18 8.425 6.042 -19.554 146 1HB ARG 18 3HB ARG 18 7.105 3.679 -18.373 147 2HB ARG 18 2HB ARG 18 8.644 3.309 -19.144 148 1HG ARG 18 2HG ARG 18 8.889 5.724 -17.596 149 2HG ARG 18 1HG ARG 18 8.225 4.424 -16.605 150 1HD ARG 18 2HD ARG 18 10.466 3.652 -18.376 151 2HD ARG 18 1HD ARG 18 10.883 4.724 -17.043 152 HE ARG 18 HE ARG 18 10.014 1.939 -16.801 153 1HH1 ARG 18 1HH1 ARG 18 8.195 3.271 -14.944 154 2HH1 ARG 18 2HH1 ARG 18 9.134 3.421 -13.496 155 1HH2 ARG 18 1HH2 ARG 18 12.167 2.883 -15.089 156 2HH2 ARG 18 2HH2 ARG 18 11.382 3.202 -13.578 157 H ARG 19 H ARG 19 6.501 3.428 -20.856 158 HA ARG 19 HA ARG 19 8.340 2.636 -22.878 159 1HB ARG 19 3HB ARG 19 5.590 2.013 -22.048 160 2HB ARG 19 2HB ARG 19 5.860 1.866 -23.780 161 1HG ARG 19 2HG ARG 19 8.094 0.733 -22.351 162 2HG ARG 19 1HG ARG 19 6.591 0.019 -21.770 163 1HD ARG 19 2HD ARG 19 6.048 -0.106 -24.367 164 2HD ARG 19 1HD ARG 19 7.806 -0.079 -24.502 165 HE ARG 19 HE ARG 19 7.882 -2.169 -23.246 166 1HH1 ARG 19 1HH2 ARG 19 4.777 -0.945 -22.846 167 2HH1 ARG 19 2HH2 ARG 19 3.964 -2.455 -23.089 168 1HH2 ARG 19 1HH1 ARG 19 6.830 -4.148 -24.059 169 2HH2 ARG 19 2HH1 ARG 19 5.125 -4.268 -23.776 170 H LYS 20 H LYS 20 5.560 4.788 -22.731 171 HA LYS 20 HA LYS 20 5.527 5.418 -25.511 172 1HB LYS 20 3HB LYS 20 4.528 6.928 -23.093 173 2HB LYS 20 2HB LYS 20 4.259 7.481 -24.746 174 1HG LYS 20 2HG LYS 20 3.563 4.648 -24.167 175 2HG LYS 20 1HG LYS 20 2.520 5.880 -23.455 176 1HD LYS 20 2HD LYS 20 3.003 6.721 -26.104 177 2HD LYS 20 1HD LYS 20 2.661 4.994 -26.204 178 1HE LYS 20 2HE LYS 20 0.616 5.364 -24.813 179 2HE LYS 20 1HE LYS 20 0.937 7.098 -24.863 180 1HZ LYS 20 1HZ LYS 20 -0.079 7.182 -26.810 181 2HZ LYS 20 2HZ LYS 20 -0.343 5.503 -26.785 182 3HZ LYS 20 3HZ LYS 20 1.078 6.134 -27.472 183 H ILE 21 H ILE 21 7.496 6.460 -22.879 184 HA ILE 21 HA ILE 21 8.572 8.699 -24.480 185 HB ILE 21 HB ILE 21 8.249 8.174 -21.660 186 1HG1 ILE 21 2HG1 ILE 21 9.316 10.721 -21.994 187 2HG1 ILE 21 1HG1 ILE 21 8.501 10.391 -23.524 188 1HG2 ILE 21 1HG2 ILE 21 10.365 8.800 -20.771 189 2HG2 ILE 21 2HG2 ILE 21 11.009 9.161 -22.373 190 3HG2 ILE 21 3HG2 ILE 21 10.679 7.492 -21.909 191 1HD1 ILE 21 1HD1 ILE 21 6.669 9.428 -21.745 192 2HD1 ILE 21 2HD1 ILE 21 6.634 11.063 -22.405 193 3HD1 ILE 21 3HD1 ILE 21 7.357 10.764 -20.824 194 H LEU 22 H LEU 22 9.667 5.768 -22.845 195 HA LEU 22 HA LEU 22 12.374 5.769 -23.473 196 1HB LEU 22 3HB LEU 22 10.861 4.024 -22.312 197 2HB LEU 22 2HB LEU 22 10.671 3.345 -23.923 198 HG LEU 22 HG LEU 22 13.256 3.502 -24.039 199 1HD1 LEU 22 1HD1 LEU 22 13.303 4.845 -21.879 200 2HD1 LEU 22 2HD1 LEU 22 14.394 3.460 -21.932 201 3HD1 LEU 22 3HD1 LEU 22 12.874 3.351 -21.044 202 1HD2 LEU 22 1HD2 LEU 22 11.686 1.563 -22.342 203 2HD2 LEU 22 2HD2 LEU 22 13.364 1.289 -22.818 204 3HD2 LEU 22 3HD2 LEU 22 12.105 1.409 -24.049 205 H GLN 23 H GLN 23 9.627 5.235 -25.516 206 HA GLN 23 HA GLN 23 11.001 4.171 -27.784 207 1HB GLN 23 3HB GLN 23 9.008 4.741 -29.017 208 2HB GLN 23 2HB GLN 23 8.513 4.136 -27.441 209 1HG GLN 23 2HG GLN 23 8.452 6.482 -26.633 210 2HG GLN 23 1HG GLN 23 8.770 7.014 -28.278 211 1HE2 GLN 23 1HE2 GLN 23 6.882 4.190 -28.394 212 2HE2 GLN 23 2HE2 GLN 23 5.361 4.920 -28.558 213 H ALA 24 H ALA 24 10.135 7.271 -26.638 214 HA ALA 24 HA ALA 24 11.390 8.716 -28.836 215 1HB ALA 24 1HB ALA 24 9.376 9.646 -27.799 216 2HB ALA 24 2HB ALA 24 10.740 10.729 -27.520 217 3HB ALA 24 3HB ALA 24 10.178 9.667 -26.229 218 H PHE 25 H PHE 25 12.360 7.264 -25.945 219 HA PHE 25 HA PHE 25 15.019 8.451 -26.163 220 1HB PHE 25 3HB PHE 25 13.613 8.548 -23.487 221 2HB PHE 25 2HB PHE 25 15.138 9.308 -23.941 222 HD1 PHE 25 HD1 PHE 25 11.474 9.507 -24.157 223 HD2 PHE 25 HD2 PHE 25 15.181 11.326 -25.342 224 HE1 PHE 25 HE1 PHE 25 10.251 11.554 -24.841 225 HE2 PHE 25 HE2 PHE 25 13.958 13.372 -26.026 226 HZ PHE 25 HZ PHE 25 11.494 13.486 -25.776 227 HA PRO 26 HA PRO 26 14.689 3.943 -25.142 228 1HB PRO 26 3HB PRO 26 16.477 3.221 -27.103 229 2HB PRO 26 2HB PRO 26 14.726 3.330 -27.347 230 1HG PRO 26 2HG PRO 26 16.867 5.267 -28.168 231 2HG PRO 26 1HG PRO 26 15.342 4.868 -28.982 232 1HD PRO 26 2HD PRO 26 15.710 7.162 -27.460 233 2HD PRO 26 1HD PRO 26 14.134 6.409 -27.748 234 H ASP 27 H ASP 27 16.974 6.392 -24.974 235 HA ASP 27 HA ASP 27 19.055 4.615 -23.812 236 1HB ASP 27 3HB ASP 27 19.169 7.001 -25.355 237 2HB ASP 27 2HB ASP 27 19.831 7.342 -23.762 238 H MET 28 H MET 28 16.807 7.189 -23.204 239 HA MET 28 HA MET 28 17.554 7.830 -20.527 240 1HB MET 28 3HB MET 28 15.769 8.894 -22.234 241 2HB MET 28 2HB MET 28 14.704 7.898 -21.250 242 1HG MET 28 2HG MET 28 15.271 9.004 -19.265 243 2HG MET 28 1HG MET 28 16.743 9.681 -19.960 244 1HE MET 28 1HE MET 28 15.116 11.049 -23.024 245 2HE MET 28 2HE MET 28 16.607 10.602 -22.200 246 3HE MET 28 3HE MET 28 16.061 12.277 -22.169 247 H HIS 29 H HIS 29 17.967 5.892 -19.502 248 HA HIS 29 HA HIS 29 16.031 3.749 -19.531 249 1HB HIS 29 3HB HIS 29 17.590 2.554 -18.221 250 2HB HIS 29 2HB HIS 29 18.557 3.562 -19.295 251 HD1 HIS 29 HD1 HIS 29 19.501 2.518 -16.441 252 HD2 HIS 29 HD2 HIS 29 18.043 6.331 -17.280 253 HE1 HIS 29 HE1 HIS 29 20.425 4.047 -14.649 254 H ASN 30 H ASN 30 16.157 2.966 -16.767 255 HA ASN 30 HA ASN 30 13.838 4.322 -15.799 256 1HB ASN 30 3HB ASN 30 14.516 3.119 -13.590 257 2HB ASN 30 2HB ASN 30 14.086 2.140 -14.992 258 1HD2 ASN 30 1HD2 ASN 30 16.265 2.112 -12.581 259 2HD2 ASN 30 2HD2 ASN 30 17.619 1.478 -13.384 260 H SER 31 H SER 31 17.069 4.309 -14.222 261 HA SER 31 HA SER 31 16.708 6.224 -12.312 262 1HB SER 31 3HB SER 31 18.912 5.069 -13.444 263 2HB SER 31 2HB SER 31 19.134 6.771 -13.812 264 HG SER 31 HG SER 31 18.918 5.479 -11.330 265 H ASN 32 H ASN 32 16.719 6.851 -15.763 266 HA ASN 32 HA ASN 32 16.657 9.767 -15.191 267 1HB ASN 32 3HB ASN 32 17.749 8.199 -17.303 268 2HB ASN 32 2HB ASN 32 16.569 9.327 -17.961 269 1HD2 ASN 32 1HD2 ASN 32 19.702 9.300 -17.861 270 2HD2 ASN 32 2HD2 ASN 32 20.079 10.861 -17.309 271 H ILE 33 H ILE 33 14.856 7.329 -17.067 272 HA ILE 33 HA ILE 33 12.734 8.974 -17.916 273 HB ILE 33 HB ILE 33 12.695 6.070 -17.070 274 1HG1 ILE 33 2HG1 ILE 33 14.132 6.937 -19.041 275 2HG1 ILE 33 1HG1 ILE 33 13.040 5.589 -19.365 276 1HG2 ILE 33 1HG2 ILE 33 10.424 6.647 -16.984 277 2HG2 ILE 33 2HG2 ILE 33 10.612 6.151 -18.666 278 3HG2 ILE 33 3HG2 ILE 33 10.588 7.864 -18.250 279 1HD1 ILE 33 1HD1 ILE 33 11.355 7.149 -20.233 280 2HD1 ILE 33 2HD1 ILE 33 12.867 7.320 -21.125 281 3HD1 ILE 33 3HD1 ILE 33 12.423 8.510 -19.900 282 H SER 34 H SER 34 13.371 7.571 -14.772 283 HA SER 34 HA SER 34 10.861 7.812 -13.534 284 1HB SER 34 3HB SER 34 13.667 7.787 -12.684 285 2HB SER 34 2HB SER 34 12.603 8.658 -11.585 286 HG SER 34 HG SER 34 12.321 5.994 -12.537 287 H LYS 35 H LYS 35 13.383 10.301 -13.943 288 HA LYS 35 HA LYS 35 11.893 12.348 -12.605 289 1HB LYS 35 3HB LYS 35 14.098 12.542 -14.679 290 2HB LYS 35 2HB LYS 35 13.489 13.902 -13.733 291 1HG LYS 35 2HG LYS 35 14.025 12.415 -11.668 292 2HG LYS 35 1HG LYS 35 15.029 11.491 -12.785 293 1HD LYS 35 2HD LYS 35 16.652 13.008 -12.380 294 2HD LYS 35 1HD LYS 35 15.694 14.139 -13.339 295 1HE LYS 35 2HE LYS 35 14.970 13.761 -10.460 296 2HE LYS 35 1HE LYS 35 16.397 14.724 -10.843 297 1HZ LYS 35 1HZ LYS 35 14.966 16.382 -11.152 298 2HZ LYS 35 2HZ LYS 35 13.621 15.346 -11.201 299 3HZ LYS 35 3HZ LYS 35 14.540 15.618 -12.605 300 H ILE 36 H ILE 36 11.941 10.980 -15.766 301 HA ILE 36 HA ILE 36 10.526 13.100 -17.083 302 HB ILE 36 HB ILE 36 11.190 10.288 -17.718 303 1HG1 ILE 36 2HG1 ILE 36 12.011 11.629 -19.831 304 2HG1 ILE 36 1HG1 ILE 36 11.841 13.019 -18.760 305 1HG2 ILE 36 1HG2 ILE 36 9.219 10.093 -18.850 306 2HG2 ILE 36 2HG2 ILE 36 10.016 11.122 -20.038 307 3HG2 ILE 36 3HG2 ILE 36 8.938 11.833 -18.836 308 1HD1 ILE 36 1HD1 ILE 36 14.099 12.270 -18.514 309 2HD1 ILE 36 2HD1 ILE 36 13.594 10.586 -18.368 310 3HD1 ILE 36 3HD1 ILE 36 13.245 11.727 -17.069 311 H LEU 37 H LEU 37 9.541 9.854 -16.096 312 HA LEU 37 HA LEU 37 6.772 10.043 -16.484 313 1HB LEU 37 3HB LEU 37 8.458 8.647 -14.421 314 2HB LEU 37 2HB LEU 37 6.707 8.493 -14.448 315 HG LEU 37 HG LEU 37 8.659 7.715 -16.617 316 1HD1 LEU 37 1HD1 LEU 37 8.519 5.819 -15.405 317 2HD1 LEU 37 2HD1 LEU 37 6.907 5.659 -16.103 318 3HD1 LEU 37 3HD1 LEU 37 7.112 6.395 -14.513 319 1HD2 LEU 37 1HD2 LEU 37 5.777 8.409 -16.737 320 2HD2 LEU 37 2HD2 LEU 37 6.210 6.876 -17.495 321 3HD2 LEU 37 3HD2 LEU 37 6.977 8.371 -18.029 322 H GLY 38 H GLY 38 8.461 10.421 -13.391 323 1HA GLY 38 2HA GLY 38 6.301 11.511 -11.921 324 2HA GLY 38 1HA GLY 38 8.001 11.746 -11.505 325 H SER 39 H SER 39 8.126 12.925 -14.425 326 HA SER 39 HA SER 39 7.396 15.642 -13.538 327 1HB SER 39 3HB SER 39 9.270 14.630 -15.687 328 2HB SER 39 2HB SER 39 8.791 16.321 -15.575 329 HG SER 39 HG SER 39 10.739 15.875 -14.445 330 H ARG 40 H ARG 40 6.532 13.048 -15.536 331 HA ARG 40 HA ARG 40 4.990 14.681 -17.421 332 1HB ARG 40 3HB ARG 40 5.750 11.843 -17.065 333 2HB ARG 40 2HB ARG 40 4.316 12.191 -18.000 334 1HG ARG 40 2HG ARG 40 6.371 14.015 -18.785 335 2HG ARG 40 1HG ARG 40 7.038 12.382 -18.818 336 1HD ARG 40 2HD ARG 40 5.441 11.631 -20.354 337 2HD ARG 40 1HD ARG 40 4.353 12.981 -20.036 338 HE ARG 40 HE ARG 40 6.980 13.382 -21.409 339 1HH1 ARG 40 1HH2 ARG 40 5.228 15.726 -20.686 340 2HH1 ARG 40 2HH2 ARG 40 4.374 15.998 -22.168 341 1HH2 ARG 40 1HH1 ARG 40 5.172 12.898 -23.503 342 2HH2 ARG 40 2HH1 ARG 40 4.342 14.396 -23.764 343 H TRP 41 H TRP 41 4.778 12.699 -14.612 344 HA TRP 41 HA TRP 41 1.961 12.382 -14.378 345 1HB TRP 41 3HB TRP 41 3.786 11.180 -13.117 346 2HB TRP 41 2HB TRP 41 4.004 12.648 -12.178 347 HD1 TRP 41 HD1 TRP 41 2.546 12.805 -10.096 348 HE1 TRP 41 HE1 TRP 41 0.375 11.642 -9.260 349 HE3 TRP 41 HE3 TRP 41 1.397 10.128 -14.210 350 HZ2 TRP 41 HZ2 TRP 41 -1.592 9.778 -10.288 351 HZ3 TRP 41 HZ3 TRP 41 -0.585 8.680 -14.283 352 HH2 TRP 41 HH2 TRP 41 -2.079 8.500 -12.392 353 H LYS 42 H LYS 42 4.141 14.584 -12.594 354 HA LYS 42 HA LYS 42 2.060 16.138 -11.447 355 1HB LYS 42 3HB LYS 42 4.952 16.302 -11.712 356 2HB LYS 42 2HB LYS 42 4.216 17.891 -11.919 357 1HG LYS 42 2HG LYS 42 2.843 17.316 -9.809 358 2HG LYS 42 1HG LYS 42 4.027 16.032 -9.558 359 1HD LYS 42 2HD LYS 42 5.668 18.145 -10.097 360 2HD LYS 42 1HD LYS 42 4.335 18.961 -9.281 361 1HE LYS 42 2HE LYS 42 5.468 16.442 -8.100 362 2HE LYS 42 1HE LYS 42 6.313 17.971 -7.860 363 1HZ LYS 42 1HZ LYS 42 4.652 18.802 -6.589 364 2HZ LYS 42 2HZ LYS 42 4.398 17.156 -6.255 365 3HZ LYS 42 3HZ LYS 42 3.432 17.952 -7.402 366 H ALA 43 H ALA 43 3.365 15.905 -14.582 367 HA ALA 43 HA ALA 43 2.386 18.467 -15.489 368 1HB ALA 43 1HB ALA 43 3.344 17.742 -17.661 369 2HB ALA 43 2HB ALA 43 3.709 16.174 -16.941 370 3HB ALA 43 3HB ALA 43 4.509 17.628 -16.344 371 H MET 44 H MET 44 0.763 15.721 -14.782 372 HA MET 44 HA MET 44 -0.760 15.549 -17.278 373 1HB MET 44 3HB MET 44 -1.897 13.692 -16.259 374 2HB MET 44 2HB MET 44 -0.185 13.516 -15.924 375 1HG MET 44 2HG MET 44 -0.510 13.671 -13.698 376 2HG MET 44 1HG MET 44 -1.593 15.053 -13.866 377 1HE MET 44 1HE MET 44 -2.807 10.728 -14.806 378 2HE MET 44 2HE MET 44 -1.171 11.380 -14.756 379 3HE MET 44 3HE MET 44 -2.278 11.891 -16.028 380 H THR 45 H THR 45 -3.207 15.024 -15.252 381 HA THR 45 HA THR 45 -3.751 17.880 -14.670 382 HB THR 45 HB THR 45 -6.091 17.103 -15.859 383 HG1 THR 45 HG1 THR 45 -4.089 16.376 -17.674 384 1HG2 THR 45 1HG2 THR 45 -4.650 18.376 -17.864 385 2HG2 THR 45 2HG2 THR 45 -3.816 18.860 -16.388 386 3HG2 THR 45 3HG2 THR 45 -5.540 19.181 -16.571 387 H ASN 46 H ASN 46 -3.641 15.154 -13.185 388 HA ASN 46 HA ASN 46 -4.747 14.322 -11.278 389 1HB ASN 46 3HB ASN 46 -6.769 16.531 -11.498 390 2HB ASN 46 2HB ASN 46 -6.079 15.798 -10.049 391 1HD2 ASN 46 1HD2 ASN 46 -6.083 18.668 -10.537 392 2HD2 ASN 46 2HD2 ASN 46 -4.467 19.161 -10.692 393 H LEU 47 H LEU 47 -7.210 15.705 -13.480 394 HA LEU 47 HA LEU 47 -9.087 13.568 -13.009 395 1HB LEU 47 3HB LEU 47 -8.848 15.839 -14.919 396 2HB LEU 47 2HB LEU 47 -9.899 14.500 -15.385 397 HG LEU 47 HG LEU 47 -10.973 14.678 -13.103 398 1HD1 LEU 47 1HD1 LEU 47 -10.122 17.463 -12.804 399 2HD1 LEU 47 2HD1 LEU 47 -8.796 16.317 -12.603 400 3HD1 LEU 47 3HD1 LEU 47 -10.235 16.187 -11.591 401 1HD2 LEU 47 1HD2 LEU 47 -11.883 15.681 -15.241 402 2HD2 LEU 47 2HD2 LEU 47 -11.135 17.205 -14.765 403 3HD2 LEU 47 3HD2 LEU 47 -12.407 16.498 -13.769 404 H GLU 48 H GLU 48 -6.251 13.862 -14.913 405 HA GLU 48 HA GLU 48 -7.044 11.831 -16.850 406 1HB GLU 48 3HB GLU 48 -4.771 13.642 -16.458 407 2HB GLU 48 2HB GLU 48 -4.289 12.042 -17.021 408 1HG GLU 48 2HG GLU 48 -6.445 13.742 -18.308 409 2HG GLU 48 1HG GLU 48 -4.789 13.600 -18.903 410 H LYS 49 H LYS 49 -5.219 11.979 -13.843 411 HA LYS 49 HA LYS 49 -4.323 9.197 -14.097 412 1HB LYS 49 3HB LYS 49 -3.444 9.548 -11.790 413 2HB LYS 49 2HB LYS 49 -2.817 10.704 -12.946 414 1HG LYS 49 2HG LYS 49 -4.884 12.136 -12.114 415 2HG LYS 49 1HG LYS 49 -4.755 11.093 -10.711 416 1HD LYS 49 2HD LYS 49 -2.124 11.865 -11.266 417 2HD LYS 49 1HD LYS 49 -3.082 13.330 -11.480 418 1HE LYS 49 2HE LYS 49 -3.775 13.371 -9.277 419 2HE LYS 49 1HE LYS 49 -3.661 11.620 -9.098 420 1HZ LYS 49 1HZ LYS 49 -1.600 11.803 -8.343 421 2HZ LYS 49 2HZ LYS 49 -1.811 13.488 -8.289 422 3HZ LYS 49 3HZ LYS 49 -1.121 12.760 -9.661 423 H GLN 50 H GLN 50 -7.215 10.592 -13.330 424 HA GLN 50 HA GLN 50 -8.053 9.240 -10.988 425 1HB GLN 50 3HB GLN 50 -9.277 10.765 -13.103 426 2HB GLN 50 2HB GLN 50 -10.289 9.377 -12.691 427 1HG GLN 50 2HG GLN 50 -10.340 9.988 -10.382 428 2HG GLN 50 1HG GLN 50 -9.085 11.206 -10.612 429 1HE2 GLN 50 1HE2 GLN 50 -12.290 10.442 -12.116 430 2HE2 GLN 50 2HE2 GLN 50 -12.828 12.052 -12.126 431 HA PRO 51 HA PRO 51 -9.564 5.686 -13.790 432 1HB PRO 51 3HB PRO 51 -8.657 5.648 -16.374 433 2HB PRO 51 2HB PRO 51 -10.163 6.415 -15.859 434 1HG PRO 51 2HG PRO 51 -7.588 7.693 -16.636 435 2HG PRO 51 1HG PRO 51 -9.233 8.346 -16.720 436 1HD PRO 51 2HD PRO 51 -7.307 8.939 -14.734 437 2HD PRO 51 1HD PRO 51 -9.035 9.337 -14.659 438 H TYR 52 H TYR 52 -6.326 6.939 -14.097 439 HA TYR 52 HA TYR 52 -5.112 4.289 -14.491 440 1HB TYR 52 3HB TYR 52 -3.725 6.791 -13.502 441 2HB TYR 52 2HB TYR 52 -3.005 5.409 -14.333 442 HD1 TYR 52 HD1 TYR 52 -2.939 8.416 -15.148 443 HD2 TYR 52 HD2 TYR 52 -5.405 5.100 -16.290 444 HE1 TYR 52 HE1 TYR 52 -3.398 9.506 -17.314 445 HE2 TYR 52 HE2 TYR 52 -5.867 6.177 -18.457 446 HH TYR 52 HH TYR 52 -5.851 8.768 -19.265 447 H TYR 53 H TYR 53 -6.682 5.841 -12.043 448 HA TYR 53 HA TYR 53 -4.988 4.966 -9.831 449 1HB TYR 53 3HB TYR 53 -7.082 6.819 -10.228 450 2HB TYR 53 2HB TYR 53 -7.675 5.636 -9.068 451 HD1 TYR 53 HD1 TYR 53 -6.196 8.699 -9.171 452 HD2 TYR 53 HD2 TYR 53 -5.485 4.811 -7.492 453 HE1 TYR 53 HE1 TYR 53 -4.760 9.714 -7.427 454 HE2 TYR 53 HE2 TYR 53 -4.052 5.823 -5.747 455 HH TYR 53 HH TYR 53 -4.058 8.994 -4.975 456 H GLU 54 H GLU 54 -8.317 4.172 -10.861 457 HA GLU 54 HA GLU 54 -8.452 1.827 -9.211 458 1HB GLU 54 3HB GLU 54 -10.447 1.283 -10.571 459 2HB GLU 54 2HB GLU 54 -10.473 2.962 -10.041 460 1HG GLU 54 2HG GLU 54 -9.322 3.487 -12.293 461 2HG GLU 54 1HG GLU 54 -9.829 1.868 -12.778 462 H GLU 55 H GLU 55 -7.271 2.471 -12.448 463 HA GLU 55 HA GLU 55 -7.124 -0.271 -13.300 464 1HB GLU 55 3HB GLU 55 -6.027 2.309 -14.201 465 2HB GLU 55 2HB GLU 55 -5.169 0.870 -14.736 466 1HG GLU 55 2HG GLU 55 -8.065 0.579 -14.957 467 2HG GLU 55 1HG GLU 55 -7.462 1.938 -15.907 468 H GLN 56 H GLN 56 -5.397 1.541 -11.010 469 HA GLN 56 HA GLN 56 -2.933 -0.042 -11.198 470 1HB GLN 56 3HB GLN 56 -2.738 2.264 -10.496 471 2HB GLN 56 2HB GLN 56 -3.889 1.983 -9.213 472 1HG GLN 56 2HG GLN 56 -1.636 0.112 -9.168 473 2HG GLN 56 1HG GLN 56 -1.162 1.794 -8.926 474 1HE2 GLN 56 1HE2 GLN 56 -3.107 2.922 -7.420 475 2HE2 GLN 56 2HE2 GLN 56 -3.367 2.070 -5.975 476 H ALA 57 H ALA 57 -5.383 0.520 -8.711 477 HA ALA 57 HA ALA 57 -4.714 -1.593 -7.007 478 1HB ALA 57 1HB ALA 57 -6.391 -0.076 -6.256 479 2HB ALA 57 2HB ALA 57 -7.229 -1.614 -6.466 480 3HB ALA 57 3HB ALA 57 -7.383 -0.350 -7.687 481 H ARG 58 H ARG 58 -6.156 -1.643 -10.164 482 HA ARG 58 HA ARG 58 -7.318 -4.288 -10.003 483 1HB ARG 58 3HB ARG 58 -6.429 -2.570 -12.332 484 2HB ARG 58 2HB ARG 58 -7.179 -4.152 -12.541 485 1HG ARG 58 2HG ARG 58 -8.528 -2.143 -10.776 486 2HG ARG 58 1HG ARG 58 -8.667 -1.965 -12.525 487 1HD ARG 58 2HD ARG 58 -9.526 -4.311 -10.824 488 2HD ARG 58 1HD ARG 58 -10.530 -3.303 -11.865 489 HE ARG 58 HE ARG 58 -8.576 -5.339 -12.837 490 1HH1 ARG 58 1HH2 ARG 58 -11.421 -5.896 -13.265 491 2HH1 ARG 58 2HH2 ARG 58 -11.717 -5.267 -14.852 492 1HH2 ARG 58 1HH1 ARG 58 -8.850 -3.319 -14.906 493 2HH2 ARG 58 2HH1 ARG 58 -10.263 -3.810 -15.780 494 H LEU 59 H LEU 59 -4.443 -3.181 -11.786 495 HA LEU 59 HA LEU 59 -3.347 -5.784 -12.146 496 1HB LEU 59 3HB LEU 59 -1.193 -4.513 -12.551 497 2HB LEU 59 2HB LEU 59 -2.551 -3.992 -13.540 498 HG LEU 59 HG LEU 59 -2.887 -2.373 -11.391 499 1HD1 LEU 59 1HD1 LEU 59 -0.979 -1.923 -10.236 500 2HD1 LEU 59 2HD1 LEU 59 0.042 -2.103 -11.663 501 3HD1 LEU 59 3HD1 LEU 59 -0.491 -3.530 -10.774 502 1HD2 LEU 59 1HD2 LEU 59 -0.847 -1.544 -13.425 503 2HD2 LEU 59 2HD2 LEU 59 -2.255 -0.663 -12.830 504 3HD2 LEU 59 3HD2 LEU 59 -2.464 -1.983 -13.980 505 H SER 60 H SER 60 -3.498 -3.749 -9.384 506 HA SER 60 HA SER 60 -1.150 -4.864 -8.040 507 1HB SER 60 3HB SER 60 -2.930 -2.707 -7.575 508 2HB SER 60 2HB SER 60 -3.127 -3.807 -6.215 509 HG SER 60 HG SER 60 -1.139 -2.118 -6.707 510 H LYS 61 H LYS 61 -4.511 -5.601 -8.428 511 HA LYS 61 HA LYS 61 -4.770 -7.434 -6.210 512 1HB LYS 61 3HB LYS 61 -6.553 -6.252 -7.821 513 2HB LYS 61 2HB LYS 61 -6.392 -7.777 -8.691 514 1HG LYS 61 2HG LYS 61 -7.814 -8.697 -7.208 515 2HG LYS 61 1HG LYS 61 -6.574 -8.482 -5.971 516 1HD LYS 61 2HD LYS 61 -7.467 -6.031 -5.849 517 2HD LYS 61 1HD LYS 61 -8.899 -6.691 -6.640 518 1HE LYS 61 2HE LYS 61 -7.696 -7.678 -4.035 519 2HE LYS 61 1HE LYS 61 -9.177 -6.735 -4.198 520 1HZ LYS 61 1HZ LYS 61 -9.333 -9.282 -4.023 521 2HZ LYS 61 2HZ LYS 61 -8.867 -9.275 -5.657 522 3HZ LYS 61 3HZ LYS 61 -10.291 -8.484 -5.172 523 H GLN 62 H GLN 62 -4.536 -8.020 -9.724 524 HA GLN 62 HA GLN 62 -4.035 -10.826 -9.483 525 1HB GLN 62 3HB GLN 62 -3.144 -10.611 -11.827 526 2HB GLN 62 2HB GLN 62 -4.741 -9.890 -11.615 527 1HG GLN 62 2HG GLN 62 -3.162 -7.767 -10.990 528 2HG GLN 62 1HG GLN 62 -2.137 -8.587 -12.168 529 1HE2 GLN 62 1HE2 GLN 62 -5.415 -7.208 -11.733 530 2HE2 GLN 62 2HE2 GLN 62 -5.702 -6.963 -13.389 531 H HIS 63 H HIS 63 -2.054 -8.072 -8.930 532 HA HIS 63 HA HIS 63 0.522 -9.180 -9.484 533 1HB HIS 63 3HB HIS 63 0.216 -6.785 -9.055 534 2HB HIS 63 2HB HIS 63 -0.303 -7.129 -7.408 535 HD1 HIS 63 HD1 HIS 63 2.327 -9.416 -8.372 536 HD2 HIS 63 HD2 HIS 63 2.201 -5.537 -6.850 537 HE1 HIS 63 HE1 HIS 63 4.625 -8.945 -7.420 538 H LEU 64 H LEU 64 -0.961 -8.711 -6.277 539 HA LEU 64 HA LEU 64 0.760 -10.330 -4.804 540 1HB LEU 64 3HB LEU 64 -2.196 -9.785 -4.547 541 2HB LEU 64 2HB LEU 64 -1.364 -10.834 -3.403 542 HG LEU 64 HG LEU 64 -0.616 -7.969 -4.037 543 1HD1 LEU 64 1HD1 LEU 64 -1.754 -7.337 -2.165 544 2HD1 LEU 64 2HD1 LEU 64 -1.346 -8.817 -1.298 545 3HD1 LEU 64 3HD1 LEU 64 -2.670 -8.813 -2.464 546 1HD2 LEU 64 1HD2 LEU 64 0.867 -8.408 -1.951 547 2HD2 LEU 64 2HD2 LEU 64 1.405 -9.062 -3.497 548 3HD2 LEU 64 3HD2 LEU 64 0.625 -10.116 -2.319 549 H GLU 65 H GLU 65 -1.945 -11.281 -6.852 550 HA GLU 65 HA GLU 65 -2.065 -14.016 -6.157 551 1HB GLU 65 3HB GLU 65 -2.691 -12.522 -8.703 552 2HB GLU 65 2HB GLU 65 -2.930 -14.265 -8.568 553 1HG GLU 65 2HG GLU 65 -4.166 -13.542 -6.313 554 2HG GLU 65 1HG GLU 65 -4.388 -12.040 -7.211 555 H LYS 66 H LYS 66 0.401 -12.250 -7.737 556 HA LYS 66 HA LYS 66 1.464 -14.542 -9.229 557 1HB LYS 66 3HB LYS 66 2.270 -11.680 -8.840 558 2HB LYS 66 2HB LYS 66 3.463 -12.836 -9.425 559 1HG LYS 66 2HG LYS 66 0.964 -13.209 -10.826 560 2HG LYS 66 1HG LYS 66 1.481 -11.527 -10.946 561 1HD LYS 66 2HD LYS 66 3.828 -13.014 -11.307 562 2HD LYS 66 1HD LYS 66 2.599 -13.883 -12.228 563 1HE LYS 66 2HE LYS 66 3.102 -12.344 -13.840 564 2HE LYS 66 1HE LYS 66 1.993 -11.329 -12.919 565 1HZ LYS 66 1HZ LYS 66 4.945 -11.347 -12.878 566 2HZ LYS 66 2HZ LYS 66 4.059 -10.711 -11.575 567 3HZ LYS 66 3HZ LYS 66 3.894 -10.039 -13.127 568 H TYR 67 H TYR 67 2.384 -12.652 -6.359 569 HA TYR 67 HA TYR 67 4.107 -14.965 -5.574 570 1HB TYR 67 3HB TYR 67 5.686 -13.463 -4.559 571 2HB TYR 67 2HB TYR 67 5.391 -12.881 -6.195 572 HD1 TYR 67 HD1 TYR 67 3.405 -11.122 -6.418 573 HD2 TYR 67 HD2 TYR 67 5.543 -11.965 -2.788 574 HE1 TYR 67 HE1 TYR 67 2.695 -8.936 -5.492 575 HE2 TYR 67 HE2 TYR 67 4.837 -9.776 -1.866 576 HH TYR 67 HH TYR 67 3.140 -7.412 -3.841 577 HA PRO 68 HA PRO 68 0.912 -14.526 -2.373 578 1HB PRO 68 3HB PRO 68 0.602 -17.227 -2.046 579 2HB PRO 68 2HB PRO 68 -0.257 -16.288 -3.274 580 1HG PRO 68 2HG PRO 68 2.029 -18.167 -3.616 581 2HG PRO 68 1HG PRO 68 0.777 -17.702 -4.779 582 1HD PRO 68 2HD PRO 68 3.436 -16.719 -4.705 583 2HD PRO 68 1HD PRO 68 2.096 -16.050 -5.661 584 H ASP 69 H ASP 69 2.870 -17.457 -2.041 585 HA ASP 69 HA ASP 69 3.447 -16.788 0.723 586 1HB ASP 69 3HB ASP 69 4.371 -19.157 -0.914 587 2HB ASP 69 2HB ASP 69 4.454 -19.011 0.843 588 H TYR 70 H TYR 70 4.730 -15.328 -1.668 589 HA TYR 70 HA TYR 70 7.544 -15.966 -1.347 590 1HB TYR 70 3HB TYR 70 6.157 -14.836 -3.388 591 2HB TYR 70 2HB TYR 70 6.810 -13.396 -2.607 592 HD1 TYR 70 HD1 TYR 70 8.676 -12.675 -3.826 593 HD2 TYR 70 HD2 TYR 70 8.180 -16.864 -3.008 594 HE1 TYR 70 HE1 TYR 70 10.899 -13.134 -4.827 595 HE2 TYR 70 HE2 TYR 70 10.402 -17.321 -4.009 596 HH TYR 70 HH TYR 70 12.348 -16.346 -4.680 Start of MODEL 4 1 HA PRO 1 HA PRO 1 3.616 -11.647 -11.865 2 1HB PRO 1 3HB PRO 1 6.106 -13.032 -12.187 3 2HB PRO 1 2HB PRO 1 4.756 -12.937 -13.327 4 1HG PRO 1 2HG PRO 1 7.312 -11.653 -13.511 5 2HG PRO 1 1HG PRO 1 5.962 -11.566 -14.651 6 1HD PRO 1 2HD PRO 1 6.883 -9.526 -12.869 7 2HD PRO 1 1HD PRO 1 5.521 -9.455 -13.994 8 H HIS 2 H HIS 2 6.864 -10.972 -10.522 9 HA HIS 2 HA HIS 2 5.934 -11.535 -7.827 10 1HB HIS 2 3HB HIS 2 6.340 -13.835 -8.965 11 2HB HIS 2 2HB HIS 2 8.052 -13.426 -8.845 12 HD1 HIS 2 HD1 HIS 2 8.417 -12.249 -6.170 13 HD2 HIS 2 HD2 HIS 2 5.737 -15.387 -6.769 14 HE1 HIS 2 HE1 HIS 2 8.072 -13.338 -3.909 15 H ILE 3 H ILE 3 6.959 -9.226 -8.375 16 HA ILE 3 HA ILE 3 9.744 -9.348 -7.332 17 HB ILE 3 HB ILE 3 9.643 -7.102 -9.061 18 1HG1 ILE 3 2HG1 ILE 3 8.569 -9.645 -10.301 19 2HG1 ILE 3 1HG1 ILE 3 7.862 -8.031 -10.366 20 1HG2 ILE 3 1HG2 ILE 3 11.036 -9.786 -9.286 21 2HG2 ILE 3 2HG2 ILE 3 11.654 -8.346 -8.477 22 3HG2 ILE 3 3HG2 ILE 3 11.458 -8.357 -10.229 23 1HD1 ILE 3 1HD1 ILE 3 9.696 -7.226 -11.745 24 2HD1 ILE 3 2HD1 ILE 3 9.029 -8.679 -12.488 25 3HD1 ILE 3 3HD1 ILE 3 10.540 -8.766 -11.584 26 H LYS 4 H LYS 4 10.304 -7.532 -6.044 27 HA LYS 4 HA LYS 4 8.010 -6.164 -4.855 28 1HB LYS 4 3HB LYS 4 9.859 -5.093 -3.453 29 2HB LYS 4 2HB LYS 4 9.713 -6.844 -3.324 30 1HG LYS 4 2HG LYS 4 11.601 -7.218 -4.692 31 2HG LYS 4 1HG LYS 4 11.564 -5.576 -5.338 32 1HD LYS 4 2HD LYS 4 13.059 -5.002 -3.754 33 2HD LYS 4 1HD LYS 4 11.793 -5.266 -2.555 34 1HE LYS 4 2HE LYS 4 13.582 -7.464 -3.621 35 2HE LYS 4 1HE LYS 4 13.892 -6.587 -2.123 36 1HZ LYS 4 1HZ LYS 4 11.580 -8.321 -2.768 37 2HZ LYS 4 2HZ LYS 4 11.589 -7.263 -1.439 38 3HZ LYS 4 3HZ LYS 4 12.723 -8.525 -1.532 39 H ARG 5 H ARG 5 7.521 -5.061 -7.008 40 HA ARG 5 HA ARG 5 9.325 -2.754 -7.534 41 1HB ARG 5 3HB ARG 5 7.793 -4.463 -9.209 42 2HB ARG 5 2HB ARG 5 7.075 -2.856 -9.319 43 1HG ARG 5 2HG ARG 5 9.658 -2.146 -9.472 44 2HG ARG 5 1HG ARG 5 9.794 -3.777 -10.131 45 1HD ARG 5 2HD ARG 5 7.497 -2.351 -11.225 46 2HD ARG 5 1HD ARG 5 9.010 -1.501 -11.538 47 HE ARG 5 HE ARG 5 8.662 -4.386 -12.252 48 1HH1 ARG 5 1HH1 ARG 5 11.347 -3.319 -12.699 49 2HH1 ARG 5 2HH1 ARG 5 11.281 -2.731 -14.326 50 1HH2 ARG 5 1HH2 ARG 5 7.816 -2.687 -14.452 51 2HH2 ARG 5 2HH2 ARG 5 9.282 -2.372 -15.319 52 HA PRO 6 HA PRO 6 6.246 -0.476 -5.172 53 1HB PRO 6 3HB PRO 6 7.784 1.799 -4.974 54 2HB PRO 6 2HB PRO 6 7.967 0.397 -3.904 55 1HG PRO 6 2HG PRO 6 9.696 1.264 -6.179 56 2HG PRO 6 1HG PRO 6 10.131 0.356 -4.720 57 1HD PRO 6 2HD PRO 6 9.740 -0.766 -7.272 58 2HD PRO 6 1HD PRO 6 9.751 -1.664 -5.744 59 H MET 7 H MET 7 4.921 -0.427 -7.119 60 HA MET 7 HA MET 7 5.335 1.933 -8.852 61 1HB MET 7 3HB MET 7 3.322 0.596 -10.073 62 2HB MET 7 2HB MET 7 5.024 0.299 -10.426 63 1HG MET 7 2HG MET 7 5.096 -1.611 -9.057 64 2HG MET 7 1HG MET 7 3.619 -1.161 -8.207 65 1HE MET 7 1HE MET 7 4.759 -3.893 -10.518 66 2HE MET 7 2HE MET 7 3.145 -4.525 -10.207 67 3HE MET 7 3HE MET 7 4.067 -3.798 -8.894 68 H ASN 8 H ASN 8 2.762 2.330 -9.696 69 HA ASN 8 HA ASN 8 0.757 2.287 -7.733 70 1HB ASN 8 3HB ASN 8 1.826 3.598 -6.213 71 2HB ASN 8 2HB ASN 8 2.843 4.313 -7.436 72 1HD2 ASN 8 1HD2 ASN 8 2.453 6.514 -7.701 73 2HD2 ASN 8 2HD2 ASN 8 0.945 7.264 -7.496 74 H ALA 9 H ALA 9 -0.753 4.482 -8.337 75 HA ALA 9 HA ALA 9 -1.572 4.110 -10.979 76 1HB ALA 9 1HB ALA 9 -2.387 6.587 -10.759 77 2HB ALA 9 2HB ALA 9 -1.805 6.451 -9.100 78 3HB ALA 9 3HB ALA 9 -3.073 5.376 -9.681 79 H PHE 10 H PHE 10 0.925 6.117 -9.648 80 HA PHE 10 HA PHE 10 1.489 7.519 -12.061 81 1HB PHE 10 3HB PHE 10 2.266 8.589 -10.197 82 2HB PHE 10 2HB PHE 10 2.823 7.105 -9.447 83 HD1 PHE 10 HD1 PHE 10 3.533 9.492 -12.215 84 HD2 PHE 10 HD2 PHE 10 5.069 6.382 -9.687 85 HE1 PHE 10 HE1 PHE 10 5.809 9.906 -13.086 86 HE2 PHE 10 HE2 PHE 10 7.353 6.798 -10.561 87 HZ PHE 10 HZ PHE 10 7.724 8.563 -12.265 88 H MET 11 H MET 11 3.429 5.019 -10.405 89 HA MET 11 HA MET 11 5.047 4.503 -12.711 90 1HB MET 11 3HB MET 11 4.414 2.915 -10.222 91 2HB MET 11 2HB MET 11 5.381 2.212 -11.517 92 1HG MET 11 2HG MET 11 6.553 4.674 -11.232 93 2HG MET 11 1HG MET 11 6.084 4.311 -9.570 94 1HE MET 11 1HE MET 11 9.432 4.381 -10.542 95 2HE MET 11 2HE MET 11 8.411 4.389 -11.979 96 3HE MET 11 3HE MET 11 9.618 3.122 -11.772 97 H VAL 12 H VAL 12 1.814 3.855 -11.926 98 HA VAL 12 HA VAL 12 1.510 1.516 -13.633 99 HB VAL 12 HB VAL 12 -0.286 3.305 -12.016 100 1HG1 VAL 12 1HG1 VAL 12 -1.094 1.576 -14.298 101 2HG1 VAL 12 2HG1 VAL 12 -1.790 3.093 -13.729 102 3HG1 VAL 12 3HG1 VAL 12 -2.117 1.593 -12.861 103 1HG2 VAL 12 1HG2 VAL 12 -0.537 0.380 -11.890 104 2HG2 VAL 12 2HG2 VAL 12 -0.356 1.553 -10.585 105 3HG2 VAL 12 3HG2 VAL 12 1.064 0.985 -11.465 106 H TRP 13 H TRP 13 0.655 4.934 -13.632 107 HA TRP 13 HA TRP 13 -0.326 4.771 -16.407 108 1HB TRP 13 3HB TRP 13 -1.475 6.463 -15.424 109 2HB TRP 13 2HB TRP 13 -0.244 6.708 -14.199 110 HD1 TRP 13 HD1 TRP 13 -1.695 8.210 -17.172 111 HE1 TRP 13 HE1 TRP 13 -0.325 10.246 -17.888 112 HE3 TRP 13 HE3 TRP 13 2.535 7.538 -14.390 113 HZ2 TRP 13 HZ2 TRP 13 2.222 11.435 -17.425 114 HZ3 TRP 13 HZ3 TRP 13 4.416 9.124 -14.555 115 HH2 TRP 13 HH2 TRP 13 4.259 11.080 -16.059 116 H ALA 14 H ALA 14 2.533 5.711 -14.695 117 HA ALA 14 HA ALA 14 3.901 6.946 -16.903 118 1HB ALA 14 1HB ALA 14 5.463 5.798 -14.669 119 2HB ALA 14 2HB ALA 14 4.240 6.988 -14.234 120 3HB ALA 14 3HB ALA 14 5.506 7.412 -15.369 121 H LYS 15 H LYS 15 3.477 3.619 -15.941 122 HA LYS 15 HA LYS 15 5.897 2.632 -17.080 123 1HB LYS 15 3HB LYS 15 4.724 0.420 -17.140 124 2HB LYS 15 2HB LYS 15 4.644 1.206 -15.565 125 1HG LYS 15 2HG LYS 15 2.399 1.415 -15.663 126 2HG LYS 15 1HG LYS 15 2.435 1.959 -17.341 127 1HD LYS 15 2HD LYS 15 2.138 -0.149 -18.167 128 2HD LYS 15 1HD LYS 15 3.127 -0.888 -16.907 129 1HE LYS 15 2HE LYS 15 0.964 0.048 -15.477 130 2HE LYS 15 1HE LYS 15 0.221 -0.462 -16.992 131 1HZ LYS 15 1HZ LYS 15 1.416 -2.596 -16.748 132 2HZ LYS 15 2HZ LYS 15 0.286 -2.313 -15.511 133 3HZ LYS 15 3HZ LYS 15 1.945 -2.098 -15.215 134 H ASP 16 H ASP 16 2.852 3.621 -18.382 135 HA ASP 16 HA ASP 16 3.568 2.542 -21.040 136 1HB ASP 16 3HB ASP 16 1.110 2.905 -19.783 137 2HB ASP 16 2HB ASP 16 1.199 4.264 -20.904 138 H GLU 17 H GLU 17 3.214 5.481 -19.211 139 HA GLU 17 HA GLU 17 3.652 7.348 -21.338 140 1HB GLU 17 3HB GLU 17 3.243 7.343 -18.518 141 2HB GLU 17 2HB GLU 17 4.680 8.305 -18.846 142 1HG GLU 17 2HG GLU 17 2.666 8.875 -20.809 143 2HG GLU 17 1HG GLU 17 1.972 9.023 -19.199 144 H ARG 18 H ARG 18 5.739 5.548 -19.145 145 HA ARG 18 HA ARG 18 8.191 6.826 -20.118 146 1HB ARG 18 3HB ARG 18 9.380 5.207 -18.743 147 2HB ARG 18 2HB ARG 18 8.046 5.872 -17.812 148 1HG ARG 18 2HG ARG 18 7.328 3.777 -17.441 149 2HG ARG 18 1HG ARG 18 7.001 3.625 -19.163 150 1HD ARG 18 2HD ARG 18 9.570 3.144 -19.344 151 2HD ARG 18 1HD ARG 18 9.436 2.775 -17.625 152 HE ARG 18 HE ARG 18 7.497 1.422 -19.391 153 1HH1 ARG 18 1HH1 ARG 18 8.865 0.840 -16.563 154 2HH1 ARG 18 2HH1 ARG 18 9.660 -0.646 -16.965 155 1HH2 ARG 18 1HH2 ARG 18 9.210 -0.274 -20.382 156 2HH2 ARG 18 2HH2 ARG 18 9.856 -1.275 -19.126 157 H ARG 19 H ARG 19 6.283 3.973 -20.752 158 HA ARG 19 HA ARG 19 8.166 2.723 -22.538 159 1HB ARG 19 3HB ARG 19 5.323 2.394 -21.766 160 2HB ARG 19 2HB ARG 19 5.709 1.906 -23.412 161 1HG ARG 19 2HG ARG 19 7.762 0.969 -21.614 162 2HG ARG 19 1HG ARG 19 6.179 0.446 -21.038 163 1HD ARG 19 2HD ARG 19 7.523 -0.156 -23.665 164 2HD ARG 19 1HD ARG 19 6.787 -1.275 -22.519 165 HE ARG 19 HE ARG 19 4.563 -0.222 -23.246 166 1HH1 ARG 19 1HH2 ARG 19 7.039 -1.329 -25.227 167 2HH1 ARG 19 2HH2 ARG 19 6.355 -0.744 -26.708 168 1HH2 ARG 19 1HH1 ARG 19 3.819 1.030 -25.144 169 2HH2 ARG 19 2HH1 ARG 19 4.532 0.591 -26.660 170 H LYS 20 H LYS 20 5.540 5.038 -22.753 171 HA LYS 20 HA LYS 20 5.631 5.300 -25.613 172 1HB LYS 20 3HB LYS 20 4.511 7.140 -23.489 173 2HB LYS 20 2HB LYS 20 4.250 7.343 -25.221 174 1HG LYS 20 2HG LYS 20 3.648 4.640 -24.202 175 2HG LYS 20 1HG LYS 20 2.594 5.911 -23.582 176 1HD LYS 20 2HD LYS 20 2.783 6.553 -26.257 177 2HD LYS 20 1HD LYS 20 2.772 4.789 -26.288 178 1HE LYS 20 2HE LYS 20 0.815 5.316 -24.439 179 2HE LYS 20 1HE LYS 20 0.619 6.665 -25.557 180 1HZ LYS 20 1HZ LYS 20 0.802 3.832 -26.416 181 2HZ LYS 20 2HZ LYS 20 0.381 5.174 -27.370 182 3HZ LYS 20 3HZ LYS 20 -0.666 4.636 -26.145 183 H ILE 21 H ILE 21 7.521 6.508 -23.036 184 HA ILE 21 HA ILE 21 8.634 8.673 -24.724 185 HB ILE 21 HB ILE 21 8.319 8.216 -21.862 186 1HG1 ILE 21 2HG1 ILE 21 9.395 10.780 -22.858 187 2HG1 ILE 21 1HG1 ILE 21 7.902 10.245 -23.631 188 1HG2 ILE 21 1HG2 ILE 21 10.710 7.627 -21.950 189 2HG2 ILE 21 2HG2 ILE 21 10.470 9.172 -21.134 190 3HG2 ILE 21 3HG2 ILE 21 11.053 9.134 -22.798 191 1HD1 ILE 21 1HD1 ILE 21 7.470 9.710 -20.936 192 2HD1 ILE 21 2HD1 ILE 21 6.823 11.083 -21.832 193 3HD1 ILE 21 3HD1 ILE 21 8.324 11.252 -20.922 194 H LEU 22 H LEU 22 9.594 5.769 -22.989 195 HA LEU 22 HA LEU 22 12.329 5.699 -23.542 196 1HB LEU 22 3HB LEU 22 10.607 4.023 -22.382 197 2HB LEU 22 2HB LEU 22 10.751 3.212 -23.941 198 HG LEU 22 HG LEU 22 13.268 3.417 -23.664 199 1HD1 LEU 22 1HD1 LEU 22 13.788 4.866 -21.975 200 2HD1 LEU 22 2HD1 LEU 22 13.583 3.438 -20.960 201 3HD1 LEU 22 3HD1 LEU 22 12.261 4.592 -21.137 202 1HD2 LEU 22 1HD2 LEU 22 12.566 1.273 -23.350 203 2HD2 LEU 22 2HD2 LEU 22 11.346 1.738 -22.164 204 3HD2 LEU 22 3HD2 LEU 22 13.039 1.615 -21.685 205 H GLN 23 H GLN 23 9.598 5.130 -25.603 206 HA GLN 23 HA GLN 23 10.966 3.921 -27.802 207 1HB GLN 23 3HB GLN 23 9.019 4.659 -29.103 208 2HB GLN 23 2HB GLN 23 8.504 3.970 -27.567 209 1HG GLN 23 2HG GLN 23 8.489 6.248 -26.606 210 2HG GLN 23 1HG GLN 23 8.852 6.886 -28.203 211 1HE2 GLN 23 1HE2 GLN 23 6.671 4.111 -27.673 212 2HE2 GLN 23 2HE2 GLN 23 5.264 4.910 -28.182 213 H ALA 24 H ALA 24 10.290 7.068 -26.702 214 HA ALA 24 HA ALA 24 11.658 8.405 -28.923 215 1HB ALA 24 1HB ALA 24 10.357 9.503 -26.420 216 2HB ALA 24 2HB ALA 24 9.621 9.427 -28.021 217 3HB ALA 24 3HB ALA 24 11.001 10.487 -27.734 218 H PHE 25 H PHE 25 12.412 7.100 -25.888 219 HA PHE 25 HA PHE 25 15.128 8.192 -26.020 220 1HB PHE 25 3HB PHE 25 13.386 8.467 -23.548 221 2HB PHE 25 2HB PHE 25 15.099 8.868 -23.645 222 HD1 PHE 25 HD1 PHE 25 15.879 10.794 -24.956 223 HD2 PHE 25 HD2 PHE 25 11.701 9.869 -24.596 224 HE1 PHE 25 HE1 PHE 25 15.308 13.046 -25.818 225 HE2 PHE 25 HE2 PHE 25 11.128 12.123 -25.458 226 HZ PHE 25 HZ PHE 25 12.932 13.711 -26.069 227 HA PRO 26 HA PRO 26 14.615 3.709 -24.957 228 1HB PRO 26 3HB PRO 26 16.455 2.897 -26.832 229 2HB PRO 26 2HB PRO 26 14.721 3.059 -27.143 230 1HG PRO 26 2HG PRO 26 16.950 4.914 -27.917 231 2HG PRO 26 1HG PRO 26 15.447 4.546 -28.783 232 1HD PRO 26 2HD PRO 26 15.823 6.856 -27.285 233 2HD PRO 26 1HD PRO 26 14.238 6.143 -27.620 234 H ASP 27 H ASP 27 16.980 6.085 -24.734 235 HA ASP 27 HA ASP 27 18.958 4.247 -23.495 236 1HB ASP 27 3HB ASP 27 19.167 6.683 -24.981 237 2HB ASP 27 2HB ASP 27 19.859 6.911 -23.380 238 H MET 28 H MET 28 16.794 6.914 -22.941 239 HA MET 28 HA MET 28 17.475 7.478 -20.224 240 1HB MET 28 3HB MET 28 15.835 8.679 -21.981 241 2HB MET 28 2HB MET 28 14.668 7.747 -21.050 242 1HG MET 28 2HG MET 28 15.273 8.769 -19.021 243 2HG MET 28 1HG MET 28 16.778 9.397 -19.691 244 1HE MET 28 1HE MET 28 15.266 10.622 -22.735 245 2HE MET 28 2HE MET 28 16.777 10.512 -21.837 246 3HE MET 28 3HE MET 28 15.982 12.073 -22.019 247 H HIS 29 H HIS 29 17.722 5.498 -19.222 248 HA HIS 29 HA HIS 29 15.608 3.522 -19.333 249 1HB HIS 29 3HB HIS 29 17.010 2.188 -17.954 250 2HB HIS 29 2HB HIS 29 18.075 3.058 -19.056 251 HD1 HIS 29 HD1 HIS 29 18.643 2.013 -15.983 252 HD2 HIS 29 HD2 HIS 29 18.116 5.924 -17.317 253 HE1 HIS 29 HE1 HIS 29 19.776 3.509 -14.280 254 H ASN 30 H ASN 30 14.960 2.582 -17.017 255 HA ASN 30 HA ASN 30 13.003 4.163 -15.897 256 1HB ASN 30 3HB ASN 30 14.666 1.932 -14.798 257 2HB ASN 30 2HB ASN 30 13.594 2.803 -13.700 258 1HD2 ASN 30 1HD2 ASN 30 13.569 1.056 -16.844 259 2HD2 ASN 30 2HD2 ASN 30 11.950 0.560 -16.725 260 H SER 31 H SER 31 16.076 3.664 -14.136 261 HA SER 31 HA SER 31 15.892 5.523 -12.167 262 1HB SER 31 3HB SER 31 17.976 4.143 -13.266 263 2HB SER 31 2HB SER 31 18.434 5.815 -13.548 264 HG SER 31 HG SER 31 18.970 5.831 -11.525 265 H ASN 32 H ASN 32 16.216 6.317 -15.576 266 HA ASN 32 HA ASN 32 16.444 9.187 -14.849 267 1HB ASN 32 3HB ASN 32 17.433 7.599 -17.011 268 2HB ASN 32 2HB ASN 32 16.476 8.937 -17.630 269 1HD2 ASN 32 1HD2 ASN 32 19.203 8.212 -15.410 270 2HD2 ASN 32 2HD2 ASN 32 19.934 9.736 -15.565 271 H ILE 33 H ILE 33 14.488 7.056 -16.937 272 HA ILE 33 HA ILE 33 12.605 8.965 -17.801 273 HB ILE 33 HB ILE 33 12.149 6.069 -17.033 274 1HG1 ILE 33 2HG1 ILE 33 13.827 6.640 -18.857 275 2HG1 ILE 33 1HG1 ILE 33 12.499 5.592 -19.354 276 1HG2 ILE 33 1HG2 ILE 33 10.311 8.167 -17.849 277 2HG2 ILE 33 2HG2 ILE 33 9.959 6.521 -17.324 278 3HG2 ILE 33 3HG2 ILE 33 10.329 6.845 -19.018 279 1HD1 ILE 33 1HD1 ILE 33 12.779 7.315 -21.042 280 2HD1 ILE 33 2HD1 ILE 33 12.725 8.580 -19.814 281 3HD1 ILE 33 3HD1 ILE 33 11.281 7.633 -20.167 282 H SER 34 H SER 34 13.066 7.472 -14.705 283 HA SER 34 HA SER 34 10.618 7.827 -13.416 284 1HB SER 34 3HB SER 34 13.392 7.596 -12.658 285 2HB SER 34 2HB SER 34 12.574 8.759 -11.619 286 HG SER 34 HG SER 34 12.052 6.905 -10.668 287 H LYS 35 H LYS 35 13.228 10.251 -13.752 288 HA LYS 35 HA LYS 35 11.735 12.352 -12.518 289 1HB LYS 35 3HB LYS 35 13.944 12.645 -14.572 290 2HB LYS 35 2HB LYS 35 13.462 13.827 -13.354 291 1HG LYS 35 2HG LYS 35 14.177 11.153 -12.305 292 2HG LYS 35 1HG LYS 35 15.510 12.067 -13.012 293 1HD LYS 35 2HD LYS 35 15.584 13.457 -11.245 294 2HD LYS 35 1HD LYS 35 13.855 13.786 -11.369 295 1HE LYS 35 2HE LYS 35 13.294 12.166 -9.836 296 2HE LYS 35 1HE LYS 35 14.647 11.127 -10.282 297 1HZ LYS 35 1HZ LYS 35 15.713 13.476 -9.243 298 2HZ LYS 35 2HZ LYS 35 15.750 11.923 -8.556 299 3HZ LYS 35 3HZ LYS 35 14.483 12.991 -8.181 300 H ILE 36 H ILE 36 11.995 11.049 -15.724 301 HA ILE 36 HA ILE 36 10.669 13.180 -17.078 302 HB ILE 36 HB ILE 36 11.200 10.328 -17.721 303 1HG1 ILE 36 2HG1 ILE 36 12.644 11.271 -19.418 304 2HG1 ILE 36 1HG1 ILE 36 11.993 12.885 -19.126 305 1HG2 ILE 36 1HG2 ILE 36 10.279 11.537 -20.075 306 2HG2 ILE 36 2HG2 ILE 36 9.100 11.989 -18.843 307 3HG2 ILE 36 3HG2 ILE 36 9.448 10.287 -19.148 308 1HD1 ILE 36 1HD1 ILE 36 12.955 12.959 -16.919 309 2HD1 ILE 36 2HD1 ILE 36 14.228 12.438 -18.023 310 3HD1 ILE 36 3HD1 ILE 36 13.408 11.257 -17.001 311 H LEU 37 H LEU 37 9.575 10.009 -15.970 312 HA LEU 37 HA LEU 37 6.802 10.331 -16.508 313 1HB LEU 37 3HB LEU 37 8.308 8.781 -14.403 314 2HB LEU 37 2HB LEU 37 6.568 8.683 -14.611 315 HG LEU 37 HG LEU 37 8.668 8.006 -16.682 316 1HD1 LEU 37 1HD1 LEU 37 7.359 6.541 -14.589 317 2HD1 LEU 37 2HD1 LEU 37 8.566 5.976 -15.745 318 3HD1 LEU 37 3HD1 LEU 37 6.851 5.901 -16.153 319 1HD2 LEU 37 1HD2 LEU 37 6.274 7.060 -17.638 320 2HD2 LEU 37 2HD2 LEU 37 6.999 8.588 -18.137 321 3HD2 LEU 37 3HD2 LEU 37 5.764 8.567 -16.877 322 H GLY 38 H GLY 38 8.551 10.642 -13.434 323 1HA GLY 38 2HA GLY 38 6.461 11.729 -11.888 324 2HA GLY 38 1HA GLY 38 8.171 12.024 -11.575 325 H SER 39 H SER 39 7.993 13.125 -14.577 326 HA SER 39 HA SER 39 7.271 15.846 -13.703 327 1HB SER 39 3HB SER 39 9.575 15.606 -14.575 328 2HB SER 39 2HB SER 39 8.935 14.919 -16.065 329 HG SER 39 HG SER 39 7.642 17.020 -16.026 330 H ARG 40 H ARG 40 6.438 13.171 -15.645 331 HA ARG 40 HA ARG 40 4.693 14.707 -17.429 332 1HB ARG 40 3HB ARG 40 5.503 11.861 -17.085 333 2HB ARG 40 2HB ARG 40 4.161 12.282 -18.119 334 1HG ARG 40 2HG ARG 40 6.453 14.002 -18.581 335 2HG ARG 40 1HG ARG 40 6.863 12.304 -18.815 336 1HD ARG 40 2HD ARG 40 5.518 12.089 -20.623 337 2HD ARG 40 1HD ARG 40 4.283 13.166 -19.977 338 HE ARG 40 HE ARG 40 5.838 15.066 -20.630 339 1HH1 ARG 40 1HH2 ARG 40 8.039 13.029 -21.393 340 2HH1 ARG 40 2HH2 ARG 40 7.949 13.108 -23.121 341 1HH2 ARG 40 1HH1 ARG 40 4.875 14.716 -23.151 342 2HH2 ARG 40 2HH1 ARG 40 6.158 14.066 -24.117 343 H TRP 41 H TRP 41 4.777 12.697 -14.635 344 HA TRP 41 HA TRP 41 1.994 12.231 -14.224 345 1HB TRP 41 3HB TRP 41 3.934 11.057 -13.134 346 2HB TRP 41 2HB TRP 41 4.193 12.509 -12.178 347 HD1 TRP 41 HD1 TRP 41 2.950 12.540 -9.964 348 HE1 TRP 41 HE1 TRP 41 0.860 11.347 -8.992 349 HE3 TRP 41 HE3 TRP 41 1.432 10.052 -14.078 350 HZ2 TRP 41 HZ2 TRP 41 -1.207 9.531 -9.921 351 HZ3 TRP 41 HZ3 TRP 41 -0.568 8.594 -14.036 352 HH2 TRP 41 HH2 TRP 41 -1.893 8.354 -12.020 353 H LYS 42 H LYS 42 4.235 14.482 -12.603 354 HA LYS 42 HA LYS 42 2.287 15.931 -11.167 355 1HB LYS 42 3HB LYS 42 4.992 16.678 -12.297 356 2HB LYS 42 2HB LYS 42 4.009 17.863 -11.435 357 1HG LYS 42 2HG LYS 42 3.949 16.448 -9.463 358 2HG LYS 42 1HG LYS 42 4.808 15.165 -10.314 359 1HD LYS 42 2HD LYS 42 6.237 16.642 -8.796 360 2HD LYS 42 1HD LYS 42 6.806 16.460 -10.456 361 1HE LYS 42 2HE LYS 42 4.931 18.710 -9.957 362 2HE LYS 42 1HE LYS 42 6.540 18.870 -9.257 363 1HZ LYS 42 1HZ LYS 42 6.711 17.869 -11.897 364 2HZ LYS 42 2HZ LYS 42 7.381 19.287 -11.247 365 3HZ LYS 42 3HZ LYS 42 5.807 19.304 -11.888 366 H ALA 43 H ALA 43 3.259 15.857 -14.453 367 HA ALA 43 HA ALA 43 2.134 18.308 -15.339 368 1HB ALA 43 1HB ALA 43 3.676 16.245 -16.411 369 2HB ALA 43 2HB ALA 43 3.124 17.683 -17.270 370 3HB ALA 43 3HB ALA 43 2.177 16.197 -17.337 371 H MET 44 H MET 44 0.664 15.552 -14.138 372 HA MET 44 HA MET 44 -1.703 15.647 -15.890 373 1HB MET 44 3HB MET 44 -1.253 14.015 -13.382 374 2HB MET 44 2HB MET 44 -2.445 13.731 -14.641 375 1HG MET 44 2HG MET 44 0.029 13.836 -15.973 376 2HG MET 44 1HG MET 44 0.303 12.865 -14.529 377 1HE MET 44 1HE MET 44 -2.365 10.267 -14.523 378 2HE MET 44 2HE MET 44 -3.232 11.799 -14.564 379 3HE MET 44 3HE MET 44 -1.742 11.662 -13.634 380 H THR 45 H THR 45 -3.432 14.931 -13.545 381 HA THR 45 HA THR 45 -3.465 17.440 -11.987 382 HB THR 45 HB THR 45 -6.100 17.246 -12.780 383 HG1 THR 45 HG1 THR 45 -6.153 16.503 -14.731 384 1HG2 THR 45 1HG2 THR 45 -3.761 18.956 -13.552 385 2HG2 THR 45 2HG2 THR 45 -5.187 19.383 -12.605 386 3HG2 THR 45 3HG2 THR 45 -5.310 19.206 -14.356 387 H ASN 46 H ASN 46 -6.205 15.363 -12.625 388 HA ASN 46 HA ASN 46 -5.825 13.690 -10.266 389 1HB ASN 46 3HB ASN 46 -7.974 14.557 -9.192 390 2HB ASN 46 2HB ASN 46 -6.582 15.633 -9.068 391 1HD2 ASN 46 1HD2 ASN 46 -9.603 15.095 -10.909 392 2HD2 ASN 46 2HD2 ASN 46 -9.744 16.695 -11.456 393 H LEU 47 H LEU 47 -8.111 15.030 -12.617 394 HA LEU 47 HA LEU 47 -9.823 12.692 -12.633 395 1HB LEU 47 3HB LEU 47 -10.433 15.064 -13.396 396 2HB LEU 47 2HB LEU 47 -9.521 14.715 -14.864 397 HG LEU 47 HG LEU 47 -11.325 12.533 -14.246 398 1HD1 LEU 47 1HD1 LEU 47 -12.329 15.137 -13.634 399 2HD1 LEU 47 2HD1 LEU 47 -13.215 13.613 -13.670 400 3HD1 LEU 47 3HD1 LEU 47 -13.100 14.600 -15.126 401 1HD2 LEU 47 1HD2 LEU 47 -10.745 12.568 -16.465 402 2HD2 LEU 47 2HD2 LEU 47 -10.573 14.324 -16.496 403 3HD2 LEU 47 3HD2 LEU 47 -12.175 13.593 -16.593 404 H GLU 48 H GLU 48 -6.769 13.462 -13.964 405 HA GLU 48 HA GLU 48 -6.935 11.600 -16.217 406 1HB GLU 48 3HB GLU 48 -4.761 13.293 -14.990 407 2HB GLU 48 2HB GLU 48 -4.387 12.080 -16.212 408 1HG GLU 48 2HG GLU 48 -5.936 13.134 -17.785 409 2HG GLU 48 1HG GLU 48 -6.410 14.310 -16.558 410 H LYS 49 H LYS 49 -5.267 11.733 -13.064 411 HA LYS 49 HA LYS 49 -4.337 8.978 -13.337 412 1HB LYS 49 3HB LYS 49 -3.526 9.321 -10.992 413 2HB LYS 49 2HB LYS 49 -2.904 10.501 -12.133 414 1HG LYS 49 2HG LYS 49 -3.579 11.673 -10.128 415 2HG LYS 49 1HG LYS 49 -4.740 12.066 -11.390 416 1HD LYS 49 2HD LYS 49 -6.440 10.896 -10.375 417 2HD LYS 49 1HD LYS 49 -5.347 9.681 -9.716 418 1HE LYS 49 2HE LYS 49 -4.535 11.938 -8.380 419 2HE LYS 49 1HE LYS 49 -6.270 12.217 -8.531 420 1HZ LYS 49 1HZ LYS 49 -5.028 10.593 -6.702 421 2HZ LYS 49 2HZ LYS 49 -5.701 9.517 -7.831 422 3HZ LYS 49 3HZ LYS 49 -6.690 10.649 -7.039 423 H GLN 50 H GLN 50 -7.321 10.013 -12.956 424 HA GLN 50 HA GLN 50 -8.293 8.850 -10.559 425 1HB GLN 50 3HB GLN 50 -9.390 10.107 -12.842 426 2HB GLN 50 2HB GLN 50 -10.230 8.564 -12.654 427 1HG GLN 50 2HG GLN 50 -10.542 9.100 -10.232 428 2HG GLN 50 1HG GLN 50 -9.868 10.700 -10.548 429 1HE2 GLN 50 1HE2 GLN 50 -12.386 10.889 -9.629 430 2HE2 GLN 50 2HE2 GLN 50 -13.514 11.156 -10.870 431 HA PRO 51 HA PRO 51 -9.248 4.883 -13.006 432 1HB PRO 51 3HB PRO 51 -8.288 4.686 -15.559 433 2HB PRO 51 2HB PRO 51 -9.873 5.338 -15.136 434 1HG PRO 51 2HG PRO 51 -7.421 6.801 -15.991 435 2HG PRO 51 1HG PRO 51 -9.122 7.250 -16.201 436 1HD PRO 51 2HD PRO 51 -7.379 8.297 -14.243 437 2HD PRO 51 1HD PRO 51 -9.150 8.436 -14.241 438 H TYR 52 H TYR 52 -6.118 6.393 -13.433 439 HA TYR 52 HA TYR 52 -4.708 3.826 -13.621 440 1HB TYR 52 3HB TYR 52 -3.392 6.367 -12.693 441 2HB TYR 52 2HB TYR 52 -2.720 5.070 -13.680 442 HD1 TYR 52 HD1 TYR 52 -2.732 8.112 -14.275 443 HD2 TYR 52 HD2 TYR 52 -5.302 4.886 -15.462 444 HE1 TYR 52 HE1 TYR 52 -3.361 9.365 -16.311 445 HE2 TYR 52 HE2 TYR 52 -5.934 6.139 -17.500 446 HH TYR 52 HH TYR 52 -4.482 9.314 -18.230 447 H TYR 53 H TYR 53 -6.366 5.442 -11.251 448 HA TYR 53 HA TYR 53 -4.610 4.699 -9.022 449 1HB TYR 53 3HB TYR 53 -6.923 6.400 -9.438 450 2HB TYR 53 2HB TYR 53 -7.103 5.398 -8.000 451 HD1 TYR 53 HD1 TYR 53 -4.216 7.063 -9.710 452 HD2 TYR 53 HD2 TYR 53 -6.408 6.510 -6.058 453 HE1 TYR 53 HE1 TYR 53 -2.581 8.491 -8.517 454 HE2 TYR 53 HE2 TYR 53 -4.774 7.942 -4.864 455 HH TYR 53 HH TYR 53 -1.981 9.365 -6.572 456 H GLU 54 H GLU 54 -7.805 3.710 -10.248 457 HA GLU 54 HA GLU 54 -8.110 1.599 -8.334 458 1HB GLU 54 3HB GLU 54 -9.890 0.792 -9.860 459 2HB GLU 54 2HB GLU 54 -10.037 2.517 -9.539 460 1HG GLU 54 2HG GLU 54 -8.583 2.796 -11.684 461 2HG GLU 54 1HG GLU 54 -9.074 1.139 -12.034 462 H GLU 55 H GLU 55 -6.777 1.718 -11.620 463 HA GLU 55 HA GLU 55 -6.347 -1.109 -11.818 464 1HB GLU 55 3HB GLU 55 -5.083 1.243 -13.164 465 2HB GLU 55 2HB GLU 55 -4.666 -0.408 -13.576 466 1HG GLU 55 2HG GLU 55 -7.104 -0.830 -14.028 467 2HG GLU 55 1HG GLU 55 -7.390 0.895 -13.795 468 H GLN 56 H GLN 56 -4.893 1.334 -9.979 469 HA GLN 56 HA GLN 56 -2.284 0.004 -9.756 470 1HB GLN 56 3HB GLN 56 -1.858 2.198 -9.402 471 2HB GLN 56 2HB GLN 56 -3.498 2.534 -8.928 472 1HG GLN 56 2HG GLN 56 -1.850 2.912 -7.083 473 2HG GLN 56 1HG GLN 56 -3.059 1.697 -6.672 474 1HE2 GLN 56 1HE2 GLN 56 -0.514 1.724 -5.372 475 2HE2 GLN 56 2HE2 GLN 56 0.354 0.346 -5.852 476 H ALA 57 H ALA 57 -4.796 0.941 -7.471 477 HA ALA 57 HA ALA 57 -4.062 -0.679 -5.319 478 1HB ALA 57 1HB ALA 57 -5.904 1.021 -5.294 479 2HB ALA 57 2HB ALA 57 -6.368 -0.516 -4.563 480 3HB ALA 57 3HB ALA 57 -6.907 -0.118 -6.194 481 H ARG 58 H ARG 58 -5.501 -1.585 -8.368 482 HA ARG 58 HA ARG 58 -6.510 -4.161 -7.523 483 1HB ARG 58 3HB ARG 58 -6.109 -2.713 -10.060 484 2HB ARG 58 2HB ARG 58 -5.931 -4.462 -10.193 485 1HG ARG 58 2HG ARG 58 -8.275 -3.227 -8.749 486 2HG ARG 58 1HG ARG 58 -8.304 -3.496 -10.492 487 1HD ARG 58 2HD ARG 58 -7.316 -5.877 -9.287 488 2HD ARG 58 1HD ARG 58 -8.757 -5.395 -8.394 489 HE ARG 58 HE ARG 58 -10.046 -5.615 -10.431 490 1HH1 ARG 58 1HH1 ARG 58 -7.571 -4.830 -12.153 491 2HH1 ARG 58 2HH1 ARG 58 -7.346 -6.300 -13.043 492 1HH2 ARG 58 1HH2 ARG 58 -9.388 -8.180 -10.959 493 2HH2 ARG 58 2HH2 ARG 58 -8.377 -8.198 -12.365 494 H LEU 59 H LEU 59 -3.691 -3.326 -9.514 495 HA LEU 59 HA LEU 59 -2.443 -5.895 -9.214 496 1HB LEU 59 3HB LEU 59 -0.465 -4.734 -10.180 497 2HB LEU 59 2HB LEU 59 -1.935 -4.420 -11.099 498 HG LEU 59 HG LEU 59 -2.171 -2.336 -9.532 499 1HD1 LEU 59 1HD1 LEU 59 -0.515 -2.145 -8.010 500 2HD1 LEU 59 2HD1 LEU 59 0.577 -1.795 -9.349 501 3HD1 LEU 59 3HD1 LEU 59 0.406 -3.448 -8.761 502 1HD2 LEU 59 1HD2 LEU 59 -0.837 -2.822 -12.036 503 2HD2 LEU 59 2HD2 LEU 59 0.019 -1.546 -11.169 504 3HD2 LEU 59 3HD2 LEU 59 -1.702 -1.376 -11.516 505 H SER 60 H SER 60 -2.500 -3.033 -7.229 506 HA SER 60 HA SER 60 -0.049 -3.676 -5.771 507 1HB SER 60 3HB SER 60 -1.542 -1.401 -6.017 508 2HB SER 60 2HB SER 60 -2.095 -1.989 -4.453 509 HG SER 60 HG SER 60 -0.230 -0.658 -4.289 510 H LYS 61 H LYS 61 -3.496 -4.225 -5.418 511 HA LYS 61 HA LYS 61 -3.446 -5.259 -2.748 512 1HB LYS 61 3HB LYS 61 -5.468 -4.525 -4.148 513 2HB LYS 61 2HB LYS 61 -5.363 -6.107 -4.923 514 1HG LYS 61 2HG LYS 61 -6.937 -6.285 -3.093 515 2HG LYS 61 1HG LYS 61 -5.472 -7.152 -2.629 516 1HD LYS 61 2HD LYS 61 -4.862 -5.564 -1.063 517 2HD LYS 61 1HD LYS 61 -5.667 -4.253 -1.926 518 1HE LYS 61 2HE LYS 61 -7.864 -5.174 -1.271 519 2HE LYS 61 1HE LYS 61 -7.054 -6.470 -0.391 520 1HZ LYS 61 1HZ LYS 61 -6.861 -3.559 0.162 521 2HZ LYS 61 2HZ LYS 61 -5.942 -4.750 0.951 522 3HZ LYS 61 3HZ LYS 61 -7.631 -4.725 1.123 523 H GLN 62 H GLN 62 -3.263 -6.848 -5.926 524 HA GLN 62 HA GLN 62 -2.906 -9.488 -4.715 525 1HB GLN 62 3HB GLN 62 -2.358 -10.097 -7.160 526 2HB GLN 62 2HB GLN 62 -3.990 -9.518 -6.825 527 1HG GLN 62 2HG GLN 62 -3.670 -7.560 -7.959 528 2HG GLN 62 1HG GLN 62 -1.989 -7.421 -7.444 529 1HE2 GLN 62 1HE2 GLN 62 -3.560 -10.163 -9.151 530 2HE2 GLN 62 2HE2 GLN 62 -2.559 -10.085 -10.519 531 H HIS 63 H HIS 63 -0.868 -6.847 -5.237 532 HA HIS 63 HA HIS 63 1.538 -8.288 -5.964 533 1HB HIS 63 3HB HIS 63 1.135 -5.812 -6.320 534 2HB HIS 63 2HB HIS 63 1.372 -5.603 -4.589 535 HD1 HIS 63 HD1 HIS 63 3.588 -8.188 -5.049 536 HD2 HIS 63 HD2 HIS 63 3.688 -4.243 -6.392 537 HE1 HIS 63 HE1 HIS 63 6.015 -7.656 -5.520 538 H LEU 64 H LEU 64 0.696 -6.626 -2.911 539 HA LEU 64 HA LEU 64 2.748 -8.149 -1.514 540 1HB LEU 64 3HB LEU 64 0.646 -6.260 -0.435 541 2HB LEU 64 2HB LEU 64 2.059 -6.844 0.437 542 HG LEU 64 HG LEU 64 2.791 -5.720 -2.144 543 1HD1 LEU 64 1HD1 LEU 64 1.739 -3.708 -0.167 544 2HD1 LEU 64 2HD1 LEU 64 0.674 -4.389 -1.396 545 3HD1 LEU 64 3HD1 LEU 64 2.111 -3.488 -1.877 546 1HD2 LEU 64 1HD2 LEU 64 3.665 -5.780 0.652 547 2HD2 LEU 64 2HD2 LEU 64 3.920 -4.207 -0.104 548 3HD2 LEU 64 3HD2 LEU 64 4.630 -5.655 -0.819 549 H GLU 65 H GLU 65 -0.798 -8.173 -1.585 550 HA GLU 65 HA GLU 65 -1.253 -9.931 0.549 551 1HB GLU 65 3HB GLU 65 -2.636 -9.557 -2.106 552 2HB GLU 65 2HB GLU 65 -3.236 -10.689 -0.896 553 1HG GLU 65 2HG GLU 65 -4.285 -8.419 -0.784 554 2HG GLU 65 1HG GLU 65 -3.519 -8.934 0.707 555 H LYS 66 H LYS 66 0.104 -10.425 -2.572 556 HA LYS 66 HA LYS 66 -0.085 -13.365 -2.373 557 1HB LYS 66 3HB LYS 66 1.014 -11.518 -4.502 558 2HB LYS 66 2HB LYS 66 1.004 -13.274 -4.624 559 1HG LYS 66 2HG LYS 66 -1.551 -11.872 -3.953 560 2HG LYS 66 1HG LYS 66 -0.993 -11.860 -5.625 561 1HD LYS 66 2HD LYS 66 -1.122 -14.426 -4.043 562 2HD LYS 66 1HD LYS 66 -2.539 -13.806 -4.892 563 1HE LYS 66 2HE LYS 66 -1.472 -13.960 -7.008 564 2HE LYS 66 1HE LYS 66 0.122 -14.149 -6.277 565 1HZ LYS 66 1HZ LYS 66 -0.442 -16.295 -5.502 566 2HZ LYS 66 2HZ LYS 66 -0.908 -16.239 -7.134 567 3HZ LYS 66 3HZ LYS 66 -2.077 -16.102 -5.907 568 H TYR 67 H TYR 67 2.459 -10.873 -2.623 569 HA TYR 67 HA TYR 67 4.222 -12.653 -1.041 570 1HB TYR 67 3HB TYR 67 5.992 -11.634 -2.915 571 2HB TYR 67 2HB TYR 67 5.387 -13.288 -2.865 572 HD1 TYR 67 HD1 TYR 67 3.378 -13.923 -4.229 573 HD2 TYR 67 HD2 TYR 67 5.286 -10.094 -4.609 574 HE1 TYR 67 HE1 TYR 67 2.234 -13.569 -6.400 575 HE2 TYR 67 HE2 TYR 67 4.143 -9.741 -6.782 576 HH TYR 67 HH TYR 67 1.549 -11.273 -7.764 577 HA PRO 68 HA PRO 68 4.627 -8.351 0.360 578 1HB PRO 68 3HB PRO 68 4.770 -9.047 3.009 579 2HB PRO 68 2HB PRO 68 3.240 -8.790 2.153 580 1HG PRO 68 2HG PRO 68 4.507 -11.354 3.005 581 2HG PRO 68 1HG PRO 68 2.794 -10.979 2.752 582 1HD PRO 68 2HD PRO 68 4.461 -12.389 0.952 583 2HD PRO 68 1HD PRO 68 2.863 -11.706 0.577 584 H ASP 69 H ASP 69 6.199 -10.343 2.771 585 HA ASP 69 HA ASP 69 8.778 -9.172 2.038 586 1HB ASP 69 3HB ASP 69 9.537 -10.265 4.193 587 2HB ASP 69 2HB ASP 69 8.265 -9.059 4.383 588 H TYR 70 H TYR 70 8.208 -10.825 0.038 589 HA TYR 70 HA TYR 70 8.751 -13.575 0.415 590 1HB TYR 70 3HB TYR 70 8.240 -13.628 -1.781 591 2HB TYR 70 2HB TYR 70 8.150 -11.873 -1.756 592 HD1 TYR 70 HD1 TYR 70 10.423 -14.759 -2.344 593 HD2 TYR 70 HD2 TYR 70 9.830 -10.529 -2.794 594 HE1 TYR 70 HE1 TYR 70 12.407 -14.640 -3.827 595 HE2 TYR 70 HE2 TYR 70 11.815 -10.408 -4.276 596 HH TYR 70 HH TYR 70 13.050 -12.151 -5.836 Start of MODEL 5 1 HA PRO 1 HA PRO 1 10.714 -12.041 -6.033 2 1HB PRO 1 3HB PRO 1 10.184 -10.299 -3.816 3 2HB PRO 1 2HB PRO 1 11.534 -11.423 -4.020 4 1HG PRO 1 2HG PRO 1 11.589 -8.561 -4.159 5 2HG PRO 1 1HG PRO 1 12.936 -9.689 -4.369 6 1HD PRO 1 2HD PRO 1 11.612 -8.137 -6.380 7 2HD PRO 1 1HD PRO 1 12.955 -9.268 -6.584 8 H HIS 2 H HIS 2 8.736 -11.803 -4.090 9 HA HIS 2 HA HIS 2 6.412 -10.756 -5.663 10 1HB HIS 2 3HB HIS 2 5.351 -12.665 -3.959 11 2HB HIS 2 2HB HIS 2 5.703 -12.911 -5.666 12 HD1 HIS 2 HD1 HIS 2 8.362 -13.656 -6.092 13 HD2 HIS 2 HD2 HIS 2 6.710 -14.447 -2.347 14 HE1 HIS 2 HE1 HIS 2 9.827 -15.422 -5.021 15 H ILE 3 H ILE 3 6.911 -8.745 -4.354 16 HA ILE 3 HA ILE 3 5.690 -8.970 -1.642 17 HB ILE 3 HB ILE 3 7.147 -6.850 -1.248 18 1HG1 ILE 3 2HG1 ILE 3 9.041 -8.087 -3.179 19 2HG1 ILE 3 1HG1 ILE 3 7.742 -7.106 -3.858 20 1HG2 ILE 3 1HG2 ILE 3 8.950 -8.224 -0.414 21 2HG2 ILE 3 2HG2 ILE 3 8.542 -9.518 -1.542 22 3HG2 ILE 3 3HG2 ILE 3 7.450 -9.129 -0.212 23 1HD1 ILE 3 1HD1 ILE 3 8.380 -5.234 -2.376 24 2HD1 ILE 3 2HD1 ILE 3 9.727 -5.720 -3.406 25 3HD1 ILE 3 3HD1 ILE 3 9.690 -6.212 -1.712 26 H LYS 4 H LYS 4 5.066 -6.549 -0.967 27 HA LYS 4 HA LYS 4 3.178 -5.655 -3.039 28 1HB LYS 4 3HB LYS 4 2.371 -5.748 -0.738 29 2HB LYS 4 2HB LYS 4 3.684 -4.700 -0.203 30 1HG LYS 4 2HG LYS 4 2.432 -3.349 -2.346 31 2HG LYS 4 1HG LYS 4 1.130 -3.961 -1.325 32 1HD LYS 4 2HD LYS 4 3.312 -2.879 0.268 33 2HD LYS 4 1HD LYS 4 2.668 -1.675 -0.849 34 1HE LYS 4 2HE LYS 4 0.353 -2.306 -0.044 35 2HE LYS 4 1HE LYS 4 1.127 -3.277 1.208 36 1HZ LYS 4 1HZ LYS 4 1.088 -1.384 2.369 37 2HZ LYS 4 2HZ LYS 4 0.870 -0.411 0.994 38 3HZ LYS 4 3HZ LYS 4 2.426 -0.937 1.426 39 H ARG 5 H ARG 5 4.894 -4.915 -4.529 40 HA ARG 5 HA ARG 5 6.780 -2.887 -3.820 41 1HB ARG 5 3HB ARG 5 6.697 -2.404 -6.358 42 2HB ARG 5 2HB ARG 5 7.199 -4.019 -5.856 43 1HG ARG 5 2HG ARG 5 4.289 -3.734 -6.156 44 2HG ARG 5 1HG ARG 5 5.183 -3.488 -7.657 45 1HD ARG 5 2HD ARG 5 5.856 -5.817 -5.883 46 2HD ARG 5 1HD ARG 5 4.478 -5.919 -6.979 47 HE ARG 5 HE ARG 5 7.318 -5.599 -7.816 48 1HH1 ARG 5 1HH2 ARG 5 5.545 -4.252 -9.753 49 2HH1 ARG 5 2HH2 ARG 5 5.112 -5.531 -10.838 50 1HH2 ARG 5 1HH1 ARG 5 6.093 -8.055 -8.675 51 2HH2 ARG 5 2HH1 ARG 5 5.422 -7.684 -10.228 52 HA PRO 6 HA PRO 6 4.255 0.684 -3.623 53 1HB PRO 6 3HB PRO 6 6.183 2.568 -4.154 54 2HB PRO 6 2HB PRO 6 6.051 1.709 -2.609 55 1HG PRO 6 2HG PRO 6 8.030 1.324 -4.806 56 2HG PRO 6 1HG PRO 6 8.194 0.982 -3.075 57 1HD PRO 6 2HD PRO 6 7.695 -0.930 -5.107 58 2HD PRO 6 1HD PRO 6 7.540 -1.195 -3.360 59 H MET 7 H MET 7 3.167 -0.037 -5.739 60 HA MET 7 HA MET 7 4.016 1.640 -8.022 61 1HB MET 7 3HB MET 7 1.927 -0.017 -8.863 62 2HB MET 7 2HB MET 7 3.634 -0.212 -9.241 63 1HG MET 7 2HG MET 7 3.966 -1.628 -7.306 64 2HG MET 7 1HG MET 7 2.323 -1.319 -6.755 65 1HE MET 7 1HE MET 7 0.216 -3.794 -8.177 66 2HE MET 7 2HE MET 7 0.496 -2.368 -7.183 67 3HE MET 7 3HE MET 7 1.284 -3.888 -6.769 68 H ASN 8 H ASN 8 1.861 2.334 -9.293 69 HA ASN 8 HA ASN 8 -0.508 2.737 -7.795 70 1HB ASN 8 3HB ASN 8 0.388 4.151 -6.249 71 2HB ASN 8 2HB ASN 8 1.699 4.597 -7.309 72 1HD2 ASN 8 1HD2 ASN 8 -1.456 5.527 -6.190 73 2HD2 ASN 8 2HD2 ASN 8 -1.592 6.942 -7.116 74 H ALA 9 H ALA 9 -1.685 4.818 -8.844 75 HA ALA 9 HA ALA 9 -2.031 4.308 -11.553 76 1HB ALA 9 1HB ALA 9 -2.319 7.042 -10.283 77 2HB ALA 9 2HB ALA 9 -3.520 5.762 -10.116 78 3HB ALA 9 3HB ALA 9 -3.169 6.439 -11.706 79 H PHE 10 H PHE 10 0.310 6.316 -9.934 80 HA PHE 10 HA PHE 10 1.275 7.567 -12.306 81 1HB PHE 10 3HB PHE 10 1.793 8.703 -10.385 82 2HB PHE 10 2HB PHE 10 2.232 7.245 -9.515 83 HD1 PHE 10 HD1 PHE 10 4.500 6.828 -9.157 84 HD2 PHE 10 HD2 PHE 10 3.315 9.202 -12.533 85 HE1 PHE 10 HE1 PHE 10 6.884 7.196 -9.735 86 HE2 PHE 10 HE2 PHE 10 5.696 9.570 -13.108 87 HZ PHE 10 HZ PHE 10 7.482 8.569 -11.711 88 H MET 11 H MET 11 2.880 5.117 -10.268 89 HA MET 11 HA MET 11 4.802 4.434 -12.273 90 1HB MET 11 3HB MET 11 3.706 2.994 -9.856 91 2HB MET 11 2HB MET 11 4.788 2.159 -10.972 92 1HG MET 11 2HG MET 11 5.868 4.758 -10.413 93 2HG MET 11 1HG MET 11 5.493 3.957 -8.887 94 1HE MET 11 1HE MET 11 7.007 4.187 -12.045 95 2HE MET 11 2HE MET 11 7.778 2.653 -12.441 96 3HE MET 11 3HE MET 11 8.689 3.891 -11.581 97 H VAL 12 H VAL 12 1.463 3.869 -11.874 98 HA VAL 12 HA VAL 12 1.331 1.516 -13.567 99 HB VAL 12 HB VAL 12 -0.647 3.398 -12.302 100 1HG1 VAL 12 1HG1 VAL 12 -1.536 2.822 -14.518 101 2HG1 VAL 12 2HG1 VAL 12 -2.485 2.085 -13.229 102 3HG1 VAL 12 3HG1 VAL 12 -1.341 1.108 -14.149 103 1HG2 VAL 12 1HG2 VAL 12 -0.934 0.517 -11.874 104 2HG2 VAL 12 2HG2 VAL 12 -0.777 1.815 -10.690 105 3HG2 VAL 12 3HG2 VAL 12 0.664 1.110 -11.421 106 H TRP 13 H TRP 13 0.462 4.933 -13.823 107 HA TRP 13 HA TRP 13 -0.167 4.604 -16.681 108 1HB TRP 13 3HB TRP 13 -1.432 6.348 -16.046 109 2HB TRP 13 2HB TRP 13 -0.492 6.604 -14.596 110 HD1 TRP 13 HD1 TRP 13 -1.395 8.146 -17.670 111 HE1 TRP 13 HE1 TRP 13 0.104 10.165 -18.178 112 HE3 TRP 13 HE3 TRP 13 2.438 7.341 -14.402 113 HZ2 TRP 13 HZ2 TRP 13 2.594 11.283 -17.378 114 HZ3 TRP 13 HZ3 TRP 13 4.354 8.875 -14.303 115 HH2 TRP 13 HH2 TRP 13 4.439 10.854 -15.778 116 H ALA 14 H ALA 14 2.493 5.476 -14.711 117 HA ALA 14 HA ALA 14 4.054 6.809 -16.713 118 1HB ALA 14 1HB ALA 14 4.265 6.930 -14.173 119 2HB ALA 14 2HB ALA 14 5.770 6.814 -15.084 120 3HB ALA 14 3HB ALA 14 5.114 5.388 -14.279 121 H LYS 15 H LYS 15 3.567 3.400 -15.915 122 HA LYS 15 HA LYS 15 5.937 2.421 -17.144 123 1HB LYS 15 3HB LYS 15 3.241 1.271 -16.507 124 2HB LYS 15 2HB LYS 15 4.341 0.360 -17.545 125 1HG LYS 15 2HG LYS 15 6.109 0.798 -15.729 126 2HG LYS 15 1HG LYS 15 4.758 1.235 -14.697 127 1HD LYS 15 2HD LYS 15 3.951 -0.902 -14.586 128 2HD LYS 15 1HD LYS 15 4.487 -1.296 -16.219 129 1HE LYS 15 2HE LYS 15 6.253 -2.362 -15.318 130 2HE LYS 15 1HE LYS 15 6.838 -0.799 -14.746 131 1HZ LYS 15 1HZ LYS 15 6.589 -2.388 -12.935 132 2HZ LYS 15 2HZ LYS 15 4.938 -2.561 -13.295 133 3HZ LYS 15 3HZ LYS 15 5.540 -1.071 -12.741 134 H ASP 16 H ASP 16 2.837 3.461 -18.342 135 HA ASP 16 HA ASP 16 3.473 2.574 -21.069 136 1HB ASP 16 3HB ASP 16 1.081 2.885 -19.764 137 2HB ASP 16 2HB ASP 16 1.183 4.399 -20.663 138 H GLU 17 H GLU 17 3.205 5.468 -19.126 139 HA GLU 17 HA GLU 17 3.702 7.394 -21.171 140 1HB GLU 17 3HB GLU 17 3.337 7.290 -18.352 141 2HB GLU 17 2HB GLU 17 4.831 8.172 -18.654 142 1HG GLU 17 2HG GLU 17 2.837 8.944 -20.571 143 2HG GLU 17 1HG GLU 17 2.187 9.097 -18.947 144 H ARG 18 H ARG 18 5.746 5.424 -19.105 145 HA ARG 18 HA ARG 18 8.232 6.661 -20.037 146 1HB ARG 18 3HB ARG 18 9.359 5.128 -18.624 147 2HB ARG 18 2HB ARG 18 7.863 5.476 -17.765 148 1HG ARG 18 2HG ARG 18 7.761 3.195 -17.642 149 2HG ARG 18 1HG ARG 18 7.036 3.373 -19.236 150 1HD ARG 18 2HD ARG 18 9.264 3.077 -20.276 151 2HD ARG 18 1HD ARG 18 9.971 2.870 -18.673 152 HE ARG 18 HE ARG 18 7.777 1.018 -19.257 153 1HH1 ARG 18 1HH1 ARG 18 10.486 1.152 -21.018 154 2HH1 ARG 18 2HH1 ARG 18 11.245 -0.273 -20.391 155 1HH2 ARG 18 1HH2 ARG 18 9.038 -0.601 -17.735 156 2HH2 ARG 18 2HH2 ARG 18 10.426 -1.267 -18.532 157 H ARG 19 H ARG 19 6.242 3.888 -20.760 158 HA ARG 19 HA ARG 19 8.056 2.648 -22.617 159 1HB ARG 19 3HB ARG 19 5.210 2.389 -21.816 160 2HB ARG 19 2HB ARG 19 5.569 1.913 -23.472 161 1HG ARG 19 2HG ARG 19 7.608 0.891 -21.706 162 2HG ARG 19 1HG ARG 19 6.016 0.403 -21.125 163 1HD ARG 19 2HD ARG 19 6.156 0.144 -24.003 164 2HD ARG 19 1HD ARG 19 7.473 -0.749 -23.244 165 HE ARG 19 HE ARG 19 4.614 -1.364 -23.010 166 1HH1 ARG 19 1HH1 ARG 19 7.682 -2.613 -22.843 167 2HH1 ARG 19 2HH1 ARG 19 7.391 -3.667 -21.500 168 1HH2 ARG 19 1HH2 ARG 19 4.278 -2.324 -20.774 169 2HH2 ARG 19 2HH2 ARG 19 5.466 -3.504 -20.330 170 H LYS 20 H LYS 20 5.474 5.025 -22.753 171 HA LYS 20 HA LYS 20 5.527 5.365 -25.595 172 1HB LYS 20 3HB LYS 20 3.598 6.011 -24.150 173 2HB LYS 20 2HB LYS 20 4.585 7.309 -23.478 174 1HG LYS 20 2HG LYS 20 3.410 8.407 -25.182 175 2HG LYS 20 1HG LYS 20 4.932 7.995 -25.978 176 1HD LYS 20 2HD LYS 20 3.979 6.281 -27.219 177 2HD LYS 20 1HD LYS 20 2.679 6.024 -26.055 178 1HE LYS 20 2HE LYS 20 1.885 7.116 -28.162 179 2HE LYS 20 1HE LYS 20 1.601 8.103 -26.729 180 1HZ LYS 20 1HZ LYS 20 2.527 9.473 -28.433 181 2HZ LYS 20 2HZ LYS 20 3.817 8.396 -28.682 182 3HZ LYS 20 3HZ LYS 20 3.703 9.268 -27.229 183 H ILE 21 H ILE 21 7.453 6.587 -22.991 184 HA ILE 21 HA ILE 21 8.602 8.660 -24.757 185 HB ILE 21 HB ILE 21 8.173 8.424 -21.923 186 1HG1 ILE 21 2HG1 ILE 21 9.403 10.873 -22.475 187 2HG1 ILE 21 1HG1 ILE 21 8.599 10.427 -23.981 188 1HG2 ILE 21 1HG2 ILE 21 10.632 7.629 -22.081 189 2HG2 ILE 21 2HG2 ILE 21 10.259 8.938 -20.964 190 3HG2 ILE 21 3HG2 ILE 21 10.993 9.296 -22.525 191 1HD1 ILE 21 1HD1 ILE 21 7.432 11.202 -21.397 192 2HD1 ILE 21 2HD1 ILE 21 6.711 9.752 -22.093 193 3HD1 ILE 21 3HD1 ILE 21 6.725 11.257 -23.012 194 H LEU 22 H LEU 22 9.494 5.751 -23.014 195 HA LEU 22 HA LEU 22 12.241 5.647 -23.472 196 1HB LEU 22 3HB LEU 22 10.529 3.967 -22.410 197 2HB LEU 22 2HB LEU 22 10.552 3.244 -24.013 198 HG LEU 22 HG LEU 22 13.092 3.309 -23.831 199 1HD1 LEU 22 1HD1 LEU 22 14.023 3.481 -21.608 200 2HD1 LEU 22 2HD1 LEU 22 12.413 3.598 -20.894 201 3HD1 LEU 22 3HD1 LEU 22 13.037 4.916 -21.888 202 1HD2 LEU 22 1HD2 LEU 22 11.146 1.494 -23.059 203 2HD2 LEU 22 2HD2 LEU 22 12.268 1.516 -21.698 204 3HD2 LEU 22 3HD2 LEU 22 12.852 1.137 -23.320 205 H GLN 23 H GLN 23 9.575 5.108 -25.668 206 HA GLN 23 HA GLN 23 11.096 4.020 -27.830 207 1HB GLN 23 3HB GLN 23 9.195 4.574 -29.198 208 2HB GLN 23 2HB GLN 23 8.582 4.012 -27.649 209 1HG GLN 23 2HG GLN 23 8.455 6.361 -26.901 210 2HG GLN 23 1HG GLN 23 8.950 6.875 -28.509 211 1HE2 GLN 23 1HE2 GLN 23 7.397 6.722 -30.244 212 2HE2 GLN 23 2HE2 GLN 23 5.767 6.330 -29.973 213 H ALA 24 H ALA 24 10.186 7.118 -26.737 214 HA ALA 24 HA ALA 24 11.503 8.597 -28.865 215 1HB ALA 24 1HB ALA 24 9.956 10.066 -28.100 216 2HB ALA 24 2HB ALA 24 11.083 10.376 -26.779 217 3HB ALA 24 3HB ALA 24 9.788 9.197 -26.574 218 H PHE 25 H PHE 25 12.405 7.105 -25.945 219 HA PHE 25 HA PHE 25 15.135 8.073 -26.225 220 1HB PHE 25 3HB PHE 25 13.710 8.485 -23.583 221 2HB PHE 25 2HB PHE 25 15.345 8.988 -24.012 222 HD1 PHE 25 HD1 PHE 25 15.655 10.708 -25.860 223 HD2 PHE 25 HD2 PHE 25 11.849 9.878 -24.056 224 HE1 PHE 25 HE1 PHE 25 14.782 12.867 -26.709 225 HE2 PHE 25 HE2 PHE 25 10.974 12.038 -24.900 226 HZ PHE 25 HZ PHE 25 12.442 13.533 -26.228 227 HA PRO 26 HA PRO 26 14.506 3.673 -24.951 228 1HB PRO 26 3HB PRO 26 16.280 2.735 -26.830 229 2HB PRO 26 2HB PRO 26 14.546 2.945 -27.117 230 1HG PRO 26 2HG PRO 26 16.821 4.701 -27.983 231 2HG PRO 26 1HG PRO 26 15.299 4.345 -28.820 232 1HD PRO 26 2HD PRO 26 15.747 6.698 -27.421 233 2HD PRO 26 1HD PRO 26 14.139 6.003 -27.693 234 H ASP 27 H ASP 27 16.939 5.977 -24.867 235 HA ASP 27 HA ASP 27 18.891 4.139 -23.587 236 1HB ASP 27 3HB ASP 27 19.165 6.434 -25.233 237 2HB ASP 27 2HB ASP 27 19.803 6.828 -23.641 238 H MET 28 H MET 28 16.830 6.907 -23.129 239 HA MET 28 HA MET 28 17.586 7.552 -20.453 240 1HB MET 28 3HB MET 28 15.807 8.582 -22.304 241 2HB MET 28 2HB MET 28 14.792 7.985 -20.994 242 1HG MET 28 2HG MET 28 15.818 9.337 -19.403 243 2HG MET 28 1HG MET 28 17.262 9.566 -20.382 244 1HE MET 28 1HE MET 28 13.674 9.466 -20.786 245 2HE MET 28 2HE MET 28 13.769 10.029 -22.452 246 3HE MET 28 3HE MET 28 13.089 11.079 -21.210 247 H HIS 29 H HIS 29 17.769 5.666 -19.353 248 HA HIS 29 HA HIS 29 15.624 3.717 -19.352 249 1HB HIS 29 3HB HIS 29 17.033 2.405 -17.952 250 2HB HIS 29 2HB HIS 29 18.069 3.191 -19.141 251 HD1 HIS 29 HD1 HIS 29 19.056 2.248 -16.280 252 HD2 HIS 29 HD2 HIS 29 17.974 6.141 -17.304 253 HE1 HIS 29 HE1 HIS 29 20.231 3.771 -14.638 254 H ASN 30 H ASN 30 15.532 2.904 -16.683 255 HA ASN 30 HA ASN 30 13.400 4.436 -15.656 256 1HB ASN 30 3HB ASN 30 14.109 3.245 -13.424 257 2HB ASN 30 2HB ASN 30 13.512 2.285 -14.777 258 1HD2 ASN 30 1HD2 ASN 30 14.763 0.377 -14.416 259 2HD2 ASN 30 2HD2 ASN 30 16.460 0.355 -14.481 260 H SER 31 H SER 31 16.595 4.222 -14.042 261 HA SER 31 HA SER 31 16.382 6.196 -12.183 262 1HB SER 31 3HB SER 31 18.827 6.402 -13.799 263 2HB SER 31 2HB SER 31 18.651 6.227 -12.064 264 HG SER 31 HG SER 31 19.458 4.321 -13.014 265 H ASN 32 H ASN 32 16.503 6.730 -15.638 266 HA ASN 32 HA ASN 32 16.614 9.660 -15.183 267 1HB ASN 32 3HB ASN 32 17.891 8.111 -17.021 268 2HB ASN 32 2HB ASN 32 16.488 8.665 -17.918 269 1HD2 ASN 32 1HD2 ASN 32 16.374 10.908 -18.505 270 2HD2 ASN 32 2HD2 ASN 32 17.621 12.008 -18.164 271 H ILE 33 H ILE 33 14.718 7.330 -17.124 272 HA ILE 33 HA ILE 33 12.658 9.092 -17.876 273 HB ILE 33 HB ILE 33 12.472 6.157 -17.156 274 1HG1 ILE 33 2HG1 ILE 33 14.000 7.036 -19.058 275 2HG1 ILE 33 1HG1 ILE 33 12.868 5.739 -19.446 276 1HG2 ILE 33 1HG2 ILE 33 10.460 8.139 -18.054 277 2HG2 ILE 33 2HG2 ILE 33 10.229 6.610 -17.207 278 3HG2 ILE 33 3HG2 ILE 33 10.473 6.622 -18.953 279 1HD1 ILE 33 1HD1 ILE 33 11.302 7.311 -20.397 280 2HD1 ILE 33 2HD1 ILE 33 12.878 7.609 -21.129 281 3HD1 ILE 33 3HD1 ILE 33 12.274 8.679 -19.863 282 H SER 34 H SER 34 13.397 7.697 -14.806 283 HA SER 34 HA SER 34 10.924 7.828 -13.465 284 1HB SER 34 3HB SER 34 13.752 7.813 -12.751 285 2HB SER 34 2HB SER 34 12.779 8.741 -11.614 286 HG SER 34 HG SER 34 11.339 6.685 -11.987 287 H LYS 35 H LYS 35 13.359 10.410 -13.933 288 HA LYS 35 HA LYS 35 11.764 12.367 -12.552 289 1HB LYS 35 3HB LYS 35 13.408 13.949 -13.192 290 2HB LYS 35 2HB LYS 35 14.310 12.443 -13.029 291 1HG LYS 35 2HG LYS 35 14.250 12.083 -15.428 292 2HG LYS 35 1HG LYS 35 13.193 13.477 -15.650 293 1HD LYS 35 2HD LYS 35 15.331 14.521 -14.221 294 2HD LYS 35 1HD LYS 35 16.100 13.383 -15.327 295 1HE LYS 35 2HE LYS 35 15.200 14.465 -17.239 296 2HE LYS 35 1HE LYS 35 14.032 15.369 -16.275 297 1HZ LYS 35 1HZ LYS 35 16.707 15.846 -15.416 298 2HZ LYS 35 2HZ LYS 35 15.514 16.958 -15.894 299 3HZ LYS 35 3HZ LYS 35 16.515 16.228 -17.056 300 H ILE 36 H ILE 36 11.891 11.034 -15.711 301 HA ILE 36 HA ILE 36 10.482 13.127 -17.071 302 HB ILE 36 HB ILE 36 11.258 10.343 -17.649 303 1HG1 ILE 36 2HG1 ILE 36 11.954 11.568 -19.816 304 2HG1 ILE 36 1HG1 ILE 36 11.559 13.047 -18.941 305 1HG2 ILE 36 1HG2 ILE 36 8.987 10.211 -18.411 306 2HG2 ILE 36 2HG2 ILE 36 9.974 10.502 -19.844 307 3HG2 ILE 36 3HG2 ILE 36 9.070 11.827 -19.113 308 1HD1 ILE 36 1HD1 ILE 36 13.939 12.565 -18.677 309 2HD1 ILE 36 2HD1 ILE 36 13.573 10.943 -18.093 310 3HD1 ILE 36 3HD1 ILE 36 13.124 12.349 -17.129 311 H LEU 37 H LEU 37 9.497 9.922 -15.931 312 HA LEU 37 HA LEU 37 6.712 10.203 -16.383 313 1HB LEU 37 3HB LEU 37 8.222 8.660 -14.274 314 2HB LEU 37 2HB LEU 37 6.515 8.463 -14.639 315 HG LEU 37 HG LEU 37 8.756 8.112 -16.638 316 1HD1 LEU 37 1HD1 LEU 37 8.052 6.427 -14.564 317 2HD1 LEU 37 2HD1 LEU 37 8.892 5.947 -16.037 318 3HD1 LEU 37 3HD1 LEU 37 7.139 5.785 -15.929 319 1HD2 LEU 37 1HD2 LEU 37 6.596 8.814 -17.625 320 2HD2 LEU 37 2HD2 LEU 37 5.788 7.482 -16.802 321 3HD2 LEU 37 3HD2 LEU 37 6.979 7.148 -18.057 322 H GLY 38 H GLY 38 8.532 10.550 -13.351 323 1HA GLY 38 2HA GLY 38 6.371 11.583 -11.808 324 2HA GLY 38 1HA GLY 38 8.078 11.835 -11.433 325 H SER 39 H SER 39 8.057 12.954 -14.404 326 HA SER 39 HA SER 39 7.377 15.695 -13.557 327 1HB SER 39 3HB SER 39 9.668 15.539 -14.314 328 2HB SER 39 2HB SER 39 9.181 14.626 -15.740 329 HG SER 39 HG SER 39 8.206 17.224 -15.193 330 H ARG 40 H ARG 40 6.492 13.047 -15.499 331 HA ARG 40 HA ARG 40 4.927 14.634 -17.392 332 1HB ARG 40 3HB ARG 40 5.499 11.755 -16.912 333 2HB ARG 40 2HB ARG 40 4.285 12.257 -18.062 334 1HG ARG 40 2HG ARG 40 7.057 13.408 -18.113 335 2HG ARG 40 1HG ARG 40 6.688 11.898 -18.929 336 1HD ARG 40 2HD ARG 40 5.367 12.913 -20.508 337 2HD ARG 40 1HD ARG 40 4.856 14.193 -19.415 338 HE ARG 40 HE ARG 40 6.725 15.463 -20.104 339 1HH1 ARG 40 1HH1 ARG 40 6.371 13.280 -22.438 340 2HH1 ARG 40 2HH1 ARG 40 8.048 13.036 -22.801 341 1HH2 ARG 40 1HH2 ARG 40 9.178 14.675 -19.963 342 2HH2 ARG 40 2HH2 ARG 40 9.635 13.826 -21.402 343 H TRP 41 H TRP 41 4.699 12.551 -14.626 344 HA TRP 41 HA TRP 41 1.885 12.362 -14.347 345 1HB TRP 41 3HB TRP 41 3.708 11.078 -13.133 346 2HB TRP 41 2HB TRP 41 3.933 12.512 -12.143 347 HD1 TRP 41 HD1 TRP 41 2.382 12.725 -10.135 348 HE1 TRP 41 HE1 TRP 41 0.167 11.589 -9.378 349 HE3 TRP 41 HE3 TRP 41 1.421 9.974 -14.250 350 HZ2 TRP 41 HZ2 TRP 41 -1.760 9.720 -10.460 351 HZ3 TRP 41 HZ3 TRP 41 -0.579 8.524 -14.386 352 HH2 TRP 41 HH2 TRP 41 -2.165 8.414 -12.548 353 H LYS 42 H LYS 42 4.222 14.511 -12.711 354 HA LYS 42 HA LYS 42 2.264 16.118 -11.413 355 1HB LYS 42 3HB LYS 42 5.144 16.414 -12.140 356 2HB LYS 42 2HB LYS 42 4.259 17.913 -11.851 357 1HG LYS 42 2HG LYS 42 3.453 16.176 -9.794 358 2HG LYS 42 1HG LYS 42 5.197 15.951 -9.934 359 1HD LYS 42 2HD LYS 42 5.168 17.783 -8.526 360 2HD LYS 42 1HD LYS 42 5.159 18.616 -10.081 361 1HE LYS 42 2HE LYS 42 3.395 19.640 -8.894 362 2HE LYS 42 1HE LYS 42 2.579 18.457 -9.916 363 1HZ LYS 42 1HZ LYS 42 2.799 16.896 -7.961 364 2HZ LYS 42 2HZ LYS 42 1.686 18.167 -7.789 365 3HZ LYS 42 3HZ LYS 42 3.206 18.255 -7.033 366 H ALA 43 H ALA 43 3.432 15.860 -14.628 367 HA ALA 43 HA ALA 43 2.312 18.367 -15.534 368 1HB ALA 43 1HB ALA 43 3.466 16.063 -17.114 369 2HB ALA 43 2HB ALA 43 4.414 17.403 -16.473 370 3HB ALA 43 3HB ALA 43 3.191 17.701 -17.708 371 H MET 44 H MET 44 1.026 15.418 -14.745 372 HA MET 44 HA MET 44 -0.835 15.123 -16.975 373 1HB MET 44 3HB MET 44 -0.340 13.712 -14.388 374 2HB MET 44 2HB MET 44 -1.935 13.559 -15.116 375 1HG MET 44 2HG MET 44 0.096 13.242 -17.140 376 2HG MET 44 1HG MET 44 0.399 12.130 -15.806 377 1HE MET 44 1HE MET 44 -3.015 12.036 -14.899 378 2HE MET 44 2HE MET 44 -1.558 11.109 -14.548 379 3HE MET 44 3HE MET 44 -2.930 10.322 -15.325 380 H THR 45 H THR 45 -3.256 14.723 -15.927 381 HA THR 45 HA THR 45 -3.873 17.223 -14.428 382 HB THR 45 HB THR 45 -6.106 17.032 -15.802 383 HG1 THR 45 HG1 THR 45 -5.156 16.294 -18.017 384 1HG2 THR 45 1HG2 THR 45 -5.287 18.675 -17.268 385 2HG2 THR 45 2HG2 THR 45 -3.701 17.913 -17.383 386 3HG2 THR 45 3HG2 THR 45 -4.165 18.764 -15.909 387 H ASN 46 H ASN 46 -4.096 16.159 -12.497 388 HA ASN 46 HA ASN 46 -4.852 13.857 -11.520 389 1HB ASN 46 3HB ASN 46 -4.881 15.713 -10.036 390 2HB ASN 46 2HB ASN 46 -6.242 16.452 -10.878 391 1HD2 ASN 46 1HD2 ASN 46 -5.752 13.073 -9.701 392 2HD2 ASN 46 2HD2 ASN 46 -7.159 13.045 -8.753 393 H LEU 47 H LEU 47 -7.366 15.862 -13.069 394 HA LEU 47 HA LEU 47 -9.518 14.040 -12.727 395 1HB LEU 47 3HB LEU 47 -9.520 16.482 -13.627 396 2HB LEU 47 2HB LEU 47 -9.235 15.736 -15.200 397 HG LEU 47 HG LEU 47 -11.323 14.305 -13.826 398 1HD1 LEU 47 1HD1 LEU 47 -12.762 16.635 -14.332 399 2HD1 LEU 47 2HD1 LEU 47 -11.327 17.205 -13.479 400 3HD1 LEU 47 3HD1 LEU 47 -12.368 15.987 -12.740 401 1HD2 LEU 47 1HD2 LEU 47 -12.515 14.727 -15.883 402 2HD2 LEU 47 2HD2 LEU 47 -10.822 14.463 -16.302 403 3HD2 LEU 47 3HD2 LEU 47 -11.476 16.100 -16.264 404 H GLU 48 H GLU 48 -6.940 14.123 -15.115 405 HA GLU 48 HA GLU 48 -8.135 12.111 -16.842 406 1HB GLU 48 3HB GLU 48 -5.679 13.723 -16.773 407 2HB GLU 48 2HB GLU 48 -5.449 12.100 -17.426 408 1HG GLU 48 2HG GLU 48 -6.133 13.148 -19.357 409 2HG GLU 48 1HG GLU 48 -7.720 12.732 -18.708 410 H LYS 49 H LYS 49 -6.784 11.923 -13.801 411 HA LYS 49 HA LYS 49 -5.325 9.409 -14.194 412 1HB LYS 49 3HB LYS 49 -6.040 11.104 -11.802 413 2HB LYS 49 2HB LYS 49 -5.313 9.513 -11.618 414 1HG LYS 49 2HG LYS 49 -3.342 10.154 -12.785 415 2HG LYS 49 1HG LYS 49 -4.101 11.619 -13.407 416 1HD LYS 49 2HD LYS 49 -4.378 12.193 -10.839 417 2HD LYS 49 1HD LYS 49 -3.041 11.058 -10.660 418 1HE LYS 49 2HE LYS 49 -1.550 12.414 -11.777 419 2HE LYS 49 1HE LYS 49 -2.800 13.122 -12.800 420 1HZ LYS 49 1HZ LYS 49 -2.961 14.818 -11.413 421 2HZ LYS 49 2HZ LYS 49 -1.697 14.178 -10.475 422 3HZ LYS 49 3HZ LYS 49 -3.311 13.785 -10.115 423 H GLN 50 H GLN 50 -8.420 9.842 -14.581 424 HA GLN 50 HA GLN 50 -9.767 8.278 -12.629 425 1HB GLN 50 3HB GLN 50 -10.681 8.186 -15.476 426 2HB GLN 50 2HB GLN 50 -11.619 8.386 -14.000 427 1HG GLN 50 2HG GLN 50 -10.399 10.653 -13.765 428 2HG GLN 50 1HG GLN 50 -9.976 10.440 -15.464 429 1HE2 GLN 50 1HE2 GLN 50 -11.443 12.474 -15.642 430 2HE2 GLN 50 2HE2 GLN 50 -13.109 12.208 -15.830 431 HA PRO 51 HA PRO 51 -9.104 4.519 -15.509 432 1HB PRO 51 3HB PRO 51 -7.232 4.749 -17.488 433 2HB PRO 51 2HB PRO 51 -8.941 5.151 -17.682 434 1HG PRO 51 2HG PRO 51 -6.612 6.986 -17.430 435 2HG PRO 51 1HG PRO 51 -8.166 7.254 -18.237 436 1HD PRO 51 2HD PRO 51 -7.423 8.230 -15.685 437 2HD PRO 51 1HD PRO 51 -9.064 8.225 -16.365 438 H TYR 52 H TYR 52 -5.978 6.281 -15.327 439 HA TYR 52 HA TYR 52 -4.440 3.925 -14.760 440 1HB TYR 52 3HB TYR 52 -3.651 6.601 -13.643 441 2HB TYR 52 2HB TYR 52 -2.640 5.366 -14.393 442 HD1 TYR 52 HD1 TYR 52 -3.644 4.754 -16.909 443 HD2 TYR 52 HD2 TYR 52 -3.816 8.542 -14.899 444 HE1 TYR 52 HE1 TYR 52 -3.870 5.895 -19.088 445 HE2 TYR 52 HE2 TYR 52 -4.042 9.689 -17.075 446 HH TYR 52 HH TYR 52 -4.750 8.034 -19.965 447 H TYR 53 H TYR 53 -6.732 5.675 -12.979 448 HA TYR 53 HA TYR 53 -5.599 5.006 -10.371 449 1HB TYR 53 3HB TYR 53 -7.935 6.512 -11.381 450 2HB TYR 53 2HB TYR 53 -8.158 5.714 -9.828 451 HD1 TYR 53 HD1 TYR 53 -8.123 7.650 -8.384 452 HD2 TYR 53 HD2 TYR 53 -4.922 6.933 -11.158 453 HE1 TYR 53 HE1 TYR 53 -6.762 9.393 -7.269 454 HE2 TYR 53 HE2 TYR 53 -3.565 8.680 -10.045 455 HH TYR 53 HH TYR 53 -4.382 9.981 -7.014 456 H GLU 54 H GLU 54 -8.426 3.989 -12.282 457 HA GLU 54 HA GLU 54 -9.163 1.869 -10.497 458 1HB GLU 54 3HB GLU 54 -9.929 2.784 -13.166 459 2HB GLU 54 2HB GLU 54 -10.139 1.058 -12.905 460 1HG GLU 54 2HG GLU 54 -11.061 2.390 -10.568 461 2HG GLU 54 1HG GLU 54 -11.768 3.218 -11.955 462 H GLU 55 H GLU 55 -7.057 2.066 -13.312 463 HA GLU 55 HA GLU 55 -6.599 -0.701 -13.695 464 1HB GLU 55 3HB GLU 55 -5.253 1.789 -14.410 465 2HB GLU 55 2HB GLU 55 -4.178 0.401 -14.298 466 1HG GLU 55 2HG GLU 55 -6.486 -0.513 -15.633 467 2HG GLU 55 1HG GLU 55 -6.102 1.048 -16.356 468 H GLN 56 H GLN 56 -5.683 1.370 -11.112 469 HA GLN 56 HA GLN 56 -3.414 -0.277 -10.260 470 1HB GLN 56 3HB GLN 56 -3.012 1.380 -8.751 471 2HB GLN 56 2HB GLN 56 -4.050 2.318 -9.798 472 1HG GLN 56 2HG GLN 56 -5.947 1.930 -8.336 473 2HG GLN 56 1HG GLN 56 -5.024 0.788 -7.368 474 1HE2 GLN 56 1HE2 GLN 56 -6.014 4.008 -7.484 475 2HE2 GLN 56 2HE2 GLN 56 -4.853 4.671 -6.439 476 H ALA 57 H ALA 57 -6.642 0.434 -9.066 477 HA ALA 57 HA ALA 57 -6.743 -1.413 -6.953 478 1HB ALA 57 1HB ALA 57 -8.589 0.012 -7.011 479 2HB ALA 57 2HB ALA 57 -9.293 -1.483 -7.626 480 3HB ALA 57 3HB ALA 57 -8.823 -0.204 -8.745 481 H ARG 58 H ARG 58 -6.972 -1.933 -10.408 482 HA ARG 58 HA ARG 58 -8.111 -4.586 -10.258 483 1HB ARG 58 3HB ARG 58 -6.483 -3.198 -12.407 484 2HB ARG 58 2HB ARG 58 -7.206 -4.794 -12.607 485 1HG ARG 58 2HG ARG 58 -9.062 -2.743 -11.584 486 2HG ARG 58 1HG ARG 58 -8.469 -2.437 -13.217 487 1HD ARG 58 2HD ARG 58 -9.343 -5.217 -12.574 488 2HD ARG 58 1HD ARG 58 -10.599 -3.994 -12.769 489 HE ARG 58 HE ARG 58 -8.838 -5.016 -14.888 490 1HH1 ARG 58 1HH1 ARG 58 -11.772 -3.610 -14.186 491 2HH1 ARG 58 2HH1 ARG 58 -11.828 -2.583 -15.580 492 1HH2 ARG 58 1HH2 ARG 58 -8.556 -3.240 -16.523 493 2HH2 ARG 58 2HH2 ARG 58 -10.006 -2.372 -16.901 494 H LEU 59 H LEU 59 -4.801 -3.547 -11.052 495 HA LEU 59 HA LEU 59 -3.620 -6.120 -10.767 496 1HB LEU 59 3HB LEU 59 -1.481 -4.820 -10.547 497 2HB LEU 59 2HB LEU 59 -2.450 -4.354 -11.941 498 HG LEU 59 HG LEU 59 -3.474 -2.584 -10.283 499 1HD1 LEU 59 1HD1 LEU 59 -2.475 -2.361 -8.275 500 2HD1 LEU 59 2HD1 LEU 59 -0.880 -2.283 -9.022 501 3HD1 LEU 59 3HD1 LEU 59 -1.589 -3.847 -8.617 502 1HD2 LEU 59 1HD2 LEU 59 -1.235 -2.607 -12.096 503 2HD2 LEU 59 2HD2 LEU 59 -0.898 -1.488 -10.775 504 3HD2 LEU 59 3HD2 LEU 59 -2.355 -1.289 -11.749 505 H SER 60 H SER 60 -4.851 -3.994 -8.395 506 HA SER 60 HA SER 60 -3.023 -4.814 -6.257 507 1HB SER 60 3HB SER 60 -5.006 -2.806 -6.600 508 2HB SER 60 2HB SER 60 -5.538 -3.822 -5.262 509 HG SER 60 HG SER 60 -2.936 -2.717 -5.550 510 H LYS 61 H LYS 61 -6.144 -5.745 -7.532 511 HA LYS 61 HA LYS 61 -6.847 -7.540 -5.378 512 1HB LYS 61 3HB LYS 61 -8.144 -6.438 -7.539 513 2HB LYS 61 2HB LYS 61 -7.948 -8.118 -8.040 514 1HG LYS 61 2HG LYS 61 -9.439 -8.869 -6.499 515 2HG LYS 61 1HG LYS 61 -8.795 -7.816 -5.239 516 1HD LYS 61 2HD LYS 61 -10.865 -6.834 -5.537 517 2HD LYS 61 1HD LYS 61 -9.933 -5.927 -6.731 518 1HE LYS 61 2HE LYS 61 -10.638 -8.069 -8.229 519 2HE LYS 61 1HE LYS 61 -12.022 -7.997 -7.138 520 1HZ LYS 61 1HZ LYS 61 -12.088 -6.619 -9.275 521 2HZ LYS 61 2HZ LYS 61 -11.017 -5.568 -8.479 522 3HZ LYS 61 3HZ LYS 61 -12.559 -5.867 -7.830 523 H GLN 62 H GLN 62 -5.656 -8.091 -8.696 524 HA GLN 62 HA GLN 62 -5.304 -10.916 -8.374 525 1HB GLN 62 3HB GLN 62 -3.754 -9.092 -10.235 526 2HB GLN 62 2HB GLN 62 -4.046 -10.820 -10.439 527 1HG GLN 62 2HG GLN 62 -6.407 -9.000 -10.144 528 2HG GLN 62 1HG GLN 62 -5.561 -9.035 -11.690 529 1HE2 GLN 62 1HE2 GLN 62 -5.118 -11.430 -12.492 530 2HE2 GLN 62 2HE2 GLN 62 -6.404 -12.520 -12.288 531 H HIS 63 H HIS 63 -3.395 -8.183 -7.389 532 HA HIS 63 HA HIS 63 -0.856 -9.510 -7.146 533 1HB HIS 63 3HB HIS 63 -1.129 -7.041 -7.058 534 2HB HIS 63 2HB HIS 63 -1.958 -7.206 -5.512 535 HD1 HIS 63 HD1 HIS 63 0.690 -9.675 -5.806 536 HD2 HIS 63 HD2 HIS 63 0.468 -5.690 -4.602 537 HE1 HIS 63 HE1 HIS 63 2.803 -9.205 -4.495 538 H LEU 64 H LEU 64 -3.099 -8.584 -4.536 539 HA LEU 64 HA LEU 64 -1.958 -10.081 -2.492 540 1HB LEU 64 3HB LEU 64 -4.785 -9.281 -3.106 541 2HB LEU 64 2HB LEU 64 -4.468 -10.347 -1.741 542 HG LEU 64 HG LEU 64 -2.670 -8.014 -1.921 543 1HD1 LEU 64 1HD1 LEU 64 -5.250 -7.424 -2.526 544 2HD1 LEU 64 2HD1 LEU 64 -4.191 -6.330 -1.635 545 3HD1 LEU 64 3HD1 LEU 64 -5.324 -7.366 -0.765 546 1HD2 LEU 64 1HD2 LEU 64 -2.407 -9.112 0.087 547 2HD2 LEU 64 2HD2 LEU 64 -4.079 -9.671 0.118 548 3HD2 LEU 64 3HD2 LEU 64 -3.696 -8.009 0.568 549 H GLU 65 H GLU 65 -4.059 -11.200 -5.095 550 HA GLU 65 HA GLU 65 -4.490 -13.826 -4.090 551 1HB GLU 65 3HB GLU 65 -4.538 -12.623 -6.850 552 2HB GLU 65 2HB GLU 65 -4.788 -14.352 -6.610 553 1HG GLU 65 2HG GLU 65 -6.421 -13.149 -4.687 554 2HG GLU 65 1HG GLU 65 -6.624 -12.145 -6.122 555 H LYS 66 H LYS 66 -1.687 -12.295 -5.277 556 HA LYS 66 HA LYS 66 -0.404 -14.747 -6.261 557 1HB LYS 66 3HB LYS 66 0.404 -11.875 -5.951 558 2HB LYS 66 2HB LYS 66 1.661 -13.097 -6.092 559 1HG LYS 66 2HG LYS 66 -0.341 -13.664 -8.049 560 2HG LYS 66 1HG LYS 66 0.081 -11.956 -8.176 561 1HD LYS 66 2HD LYS 66 1.554 -13.389 -9.579 562 2HD LYS 66 1HD LYS 66 2.457 -12.523 -8.334 563 1HE LYS 66 2HE LYS 66 1.769 -14.814 -7.002 564 2HE LYS 66 1HE LYS 66 1.987 -15.420 -8.644 565 1HZ LYS 66 1HZ LYS 66 3.937 -14.028 -6.919 566 2HZ LYS 66 2HZ LYS 66 4.134 -14.071 -8.606 567 3HZ LYS 66 3HZ LYS 66 4.098 -15.517 -7.715 568 H TYR 67 H TYR 67 -0.472 -12.795 -3.336 569 HA TYR 67 HA TYR 67 0.677 -15.039 -1.846 570 1HB TYR 67 3HB TYR 67 2.602 -13.943 -0.986 571 2HB TYR 67 2HB TYR 67 2.643 -13.656 -2.721 572 HD1 TYR 67 HD1 TYR 67 3.474 -12.097 0.123 573 HD2 TYR 67 HD2 TYR 67 0.797 -11.481 -3.179 574 HE1 TYR 67 HE1 TYR 67 3.514 -9.655 0.548 575 HE2 TYR 67 HE2 TYR 67 0.833 -9.040 -2.751 576 HH TYR 67 HH TYR 67 2.038 -7.691 0.099 577 HA PRO 68 HA PRO 68 -2.480 -12.538 0.397 578 1HB PRO 68 3HB PRO 68 -4.132 -14.673 0.870 579 2HB PRO 68 2HB PRO 68 -4.242 -13.661 -0.573 580 1HG PRO 68 2HG PRO 68 -3.141 -16.419 -0.301 581 2HG PRO 68 1HG PRO 68 -3.872 -15.636 -1.712 582 1HD PRO 68 2HD PRO 68 -1.108 -16.003 -1.293 583 2HD PRO 68 1HD PRO 68 -1.839 -14.901 -2.480 584 H ASP 69 H ASP 69 -2.094 -15.954 1.223 585 HA ASP 69 HA ASP 69 -1.830 -15.421 4.040 586 1HB ASP 69 3HB ASP 69 -1.226 -17.954 2.487 587 2HB ASP 69 2HB ASP 69 -1.415 -17.839 4.237 588 H TYR 70 H TYR 70 0.018 -13.823 3.101 589 HA TYR 70 HA TYR 70 2.548 -14.866 2.441 590 1HB TYR 70 3HB TYR 70 3.398 -12.638 3.272 591 2HB TYR 70 2HB TYR 70 2.116 -12.550 2.069 592 HD1 TYR 70 HD1 TYR 70 0.780 -13.711 5.175 593 HD2 TYR 70 HD2 TYR 70 2.046 -10.146 3.133 594 HE1 TYR 70 HE1 TYR 70 -0.587 -12.346 6.713 595 HE2 TYR 70 HE2 TYR 70 0.672 -8.781 4.680 596 HH TYR 70 HH TYR 70 -1.305 -10.313 7.223 Start of MODEL 6 1 HA PRO 1 HA PRO 1 6.463 -14.892 -0.395 2 1HB PRO 1 3HB PRO 1 4.349 -15.757 -2.126 3 2HB PRO 1 2HB PRO 1 4.986 -16.573 -0.691 4 1HG PRO 1 2HG PRO 1 2.475 -15.229 -0.980 5 2HG PRO 1 1HG PRO 1 3.120 -16.041 0.454 6 1HD PRO 1 2HD PRO 1 2.827 -13.227 0.009 7 2HD PRO 1 1HD PRO 1 3.474 -14.045 1.435 8 H HIS 2 H HIS 2 4.131 -13.079 -2.416 9 HA HIS 2 HA HIS 2 6.243 -12.022 -4.080 10 1HB HIS 2 3HB HIS 2 5.008 -13.253 -6.156 11 2HB HIS 2 2HB HIS 2 6.456 -13.892 -5.381 12 HD1 HIS 2 HD1 HIS 2 6.197 -16.314 -4.902 13 HD2 HIS 2 HD2 HIS 2 2.582 -14.288 -4.454 14 HE1 HIS 2 HE1 HIS 2 4.493 -18.043 -4.182 15 H ILE 3 H ILE 3 4.262 -10.729 -2.717 16 HA ILE 3 HA ILE 3 2.279 -9.979 -4.815 17 HB ILE 3 HB ILE 3 1.110 -8.917 -2.790 18 1HG1 ILE 3 2HG1 ILE 3 2.844 -10.847 -1.256 19 2HG1 ILE 3 1HG1 ILE 3 3.255 -9.141 -1.401 20 1HG2 ILE 3 1HG2 ILE 3 0.007 -10.977 -2.249 21 2HG2 ILE 3 2HG2 ILE 3 1.435 -11.920 -2.677 22 3HG2 ILE 3 3HG2 ILE 3 0.506 -11.104 -3.936 23 1HD1 ILE 3 1HD1 ILE 3 1.960 -8.912 0.460 24 2HD1 ILE 3 2HD1 ILE 3 1.117 -10.434 0.177 25 3HD1 ILE 3 3HD1 ILE 3 0.623 -8.980 -0.689 26 H LYS 4 H LYS 4 4.716 -8.924 -5.266 27 HA LYS 4 HA LYS 4 5.258 -6.473 -3.848 28 1HB LYS 4 3HB LYS 4 6.402 -7.965 -6.036 29 2HB LYS 4 2HB LYS 4 6.282 -6.261 -6.481 30 1HG LYS 4 2HG LYS 4 7.900 -5.662 -5.022 31 2HG LYS 4 1HG LYS 4 7.205 -6.640 -3.730 32 1HD LYS 4 2HD LYS 4 8.231 -8.462 -5.636 33 2HD LYS 4 1HD LYS 4 9.472 -7.228 -5.411 34 1HE LYS 4 2HE LYS 4 9.862 -8.920 -3.746 35 2HE LYS 4 1HE LYS 4 9.173 -7.528 -2.913 36 1HZ LYS 4 1HZ LYS 4 7.463 -8.752 -2.267 37 2HZ LYS 4 2HZ LYS 4 8.205 -10.121 -2.944 38 3HZ LYS 4 3HZ LYS 4 7.109 -9.204 -3.863 39 H ARG 5 H ARG 5 3.182 -5.373 -3.817 40 HA ARG 5 HA ARG 5 2.380 -4.322 -6.500 41 1HB ARG 5 3HB ARG 5 0.147 -3.976 -5.556 42 2HB ARG 5 2HB ARG 5 0.646 -5.655 -5.364 43 1HG ARG 5 2HG ARG 5 0.495 -5.508 -3.122 44 2HG ARG 5 1HG ARG 5 1.529 -4.079 -3.101 45 1HD ARG 5 2HD ARG 5 -0.668 -2.895 -4.011 46 2HD ARG 5 1HD ARG 5 -1.457 -4.260 -3.222 47 HE ARG 5 HE ARG 5 0.484 -2.981 -1.486 48 1HH1 ARG 5 1HH2 ARG 5 -2.118 -4.100 -0.541 49 2HH1 ARG 5 2HH2 ARG 5 -3.031 -2.669 -0.193 50 1HH2 ARG 5 1HH1 ARG 5 -0.941 -0.574 -1.999 51 2HH2 ARG 5 2HH1 ARG 5 -2.364 -0.674 -1.019 52 HA PRO 6 HA PRO 6 3.428 -0.659 -3.643 53 1HB PRO 6 3HB PRO 6 6.095 -0.238 -4.135 54 2HB PRO 6 2HB PRO 6 5.506 -1.213 -2.776 55 1HG PRO 6 2HG PRO 6 6.740 -2.117 -5.341 56 2HG PRO 6 1HG PRO 6 6.753 -2.899 -3.751 57 1HD PRO 6 2HD PRO 6 5.097 -3.627 -5.917 58 2HD PRO 6 1HD PRO 6 4.885 -4.113 -4.221 59 H MET 7 H MET 7 2.307 -0.804 -6.182 60 HA MET 7 HA MET 7 3.847 1.138 -7.797 61 1HB MET 7 3HB MET 7 1.751 0.263 -9.384 62 2HB MET 7 2HB MET 7 3.416 -0.289 -9.490 63 1HG MET 7 2HG MET 7 2.980 -2.168 -8.082 64 2HG MET 7 1HG MET 7 1.409 -1.525 -7.609 65 1HE MET 7 1HE MET 7 0.995 -3.920 -7.947 66 2HE MET 7 2HE MET 7 2.008 -4.676 -9.174 67 3HE MET 7 3HE MET 7 0.266 -4.565 -9.424 68 H ASN 8 H ASN 8 1.593 2.061 -9.288 69 HA ASN 8 HA ASN 8 -0.589 2.785 -7.666 70 1HB ASN 8 3HB ASN 8 0.536 4.038 -6.172 71 2HB ASN 8 2HB ASN 8 1.871 4.278 -7.266 72 1HD2 ASN 8 1HD2 ASN 8 -1.103 5.681 -6.098 73 2HD2 ASN 8 2HD2 ASN 8 -1.022 7.112 -7.008 74 H ALA 9 H ALA 9 -1.544 4.997 -8.624 75 HA ALA 9 HA ALA 9 -2.118 4.556 -11.333 76 1HB ALA 9 1HB ALA 9 -2.254 7.369 -10.820 77 2HB ALA 9 2HB ALA 9 -2.763 6.517 -9.362 78 3HB ALA 9 3HB ALA 9 -3.581 6.211 -10.894 79 H PHE 10 H PHE 10 0.429 6.391 -9.803 80 HA PHE 10 HA PHE 10 1.358 7.640 -12.187 81 1HB PHE 10 3HB PHE 10 2.018 8.683 -10.243 82 2HB PHE 10 2HB PHE 10 2.439 7.172 -9.456 83 HD1 PHE 10 HD1 PHE 10 4.655 6.344 -9.522 84 HD2 PHE 10 HD2 PHE 10 3.465 9.484 -12.197 85 HE1 PHE 10 HE1 PHE 10 7.012 6.623 -10.240 86 HE2 PHE 10 HE2 PHE 10 5.820 9.766 -12.914 87 HZ PHE 10 HZ PHE 10 7.595 8.337 -11.937 88 H MET 11 H MET 11 2.782 4.985 -10.280 89 HA MET 11 HA MET 11 4.634 4.246 -12.339 90 1HB MET 11 3HB MET 11 3.522 2.903 -9.887 91 2HB MET 11 2HB MET 11 4.403 1.928 -11.065 92 1HG MET 11 2HG MET 11 6.084 4.046 -10.859 93 2HG MET 11 1HG MET 11 5.398 4.039 -9.234 94 1HE MET 11 1HE MET 11 6.093 1.849 -7.350 95 2HE MET 11 2HE MET 11 6.627 3.478 -7.758 96 3HE MET 11 3HE MET 11 7.813 2.187 -7.588 97 H VAL 12 H VAL 12 1.261 3.950 -11.928 98 HA VAL 12 HA VAL 12 0.955 1.644 -13.693 99 HB VAL 12 HB VAL 12 -0.864 3.527 -12.215 100 1HG1 VAL 12 1HG1 VAL 12 -2.833 2.471 -13.233 101 2HG1 VAL 12 2HG1 VAL 12 -1.787 1.587 -14.343 102 3HG1 VAL 12 3HG1 VAL 12 -1.885 3.346 -14.435 103 1HG2 VAL 12 1HG2 VAL 12 -1.737 1.398 -11.322 104 2HG2 VAL 12 2HG2 VAL 12 0.003 1.532 -11.084 105 3HG2 VAL 12 3HG2 VAL 12 -0.635 0.515 -12.374 106 H TRP 13 H TRP 13 0.403 5.112 -13.746 107 HA TRP 13 HA TRP 13 -0.336 5.044 -16.594 108 1HB TRP 13 3HB TRP 13 -1.399 6.818 -15.660 109 2HB TRP 13 2HB TRP 13 -0.216 6.978 -14.379 110 HD1 TRP 13 HD1 TRP 13 -1.367 8.528 -17.469 111 HE1 TRP 13 HE1 TRP 13 0.208 10.422 -18.123 112 HE3 TRP 13 HE3 TRP 13 2.602 7.578 -14.399 113 HZ2 TRP 13 HZ2 TRP 13 2.798 11.414 -17.525 114 HZ3 TRP 13 HZ3 TRP 13 4.619 9.006 -14.478 115 HH2 TRP 13 HH2 TRP 13 4.720 10.930 -16.031 116 H ALA 14 H ALA 14 2.459 5.723 -14.654 117 HA ALA 14 HA ALA 14 4.082 6.876 -16.719 118 1HB ALA 14 1HB ALA 14 4.350 7.109 -14.207 119 2HB ALA 14 2HB ALA 14 5.829 6.790 -15.104 120 3HB ALA 14 3HB ALA 14 5.036 5.488 -14.221 121 H LYS 15 H LYS 15 3.345 3.547 -15.867 122 HA LYS 15 HA LYS 15 5.695 2.380 -16.972 123 1HB LYS 15 3HB LYS 15 2.902 1.345 -16.496 124 2HB LYS 15 2HB LYS 15 4.129 0.346 -17.276 125 1HG LYS 15 2HG LYS 15 4.902 1.746 -14.762 126 2HG LYS 15 1HG LYS 15 3.817 0.362 -14.620 127 1HD LYS 15 2HD LYS 15 6.013 -0.146 -16.468 128 2HD LYS 15 1HD LYS 15 6.586 0.254 -14.849 129 1HE LYS 15 2HE LYS 15 6.157 -1.898 -14.309 130 2HE LYS 15 1HE LYS 15 4.450 -1.458 -14.372 131 1HZ LYS 15 1HZ LYS 15 4.783 -1.863 -16.905 132 2HZ LYS 15 2HZ LYS 15 4.529 -3.178 -15.858 133 3HZ LYS 15 3HZ LYS 15 6.097 -2.807 -16.395 134 H ASP 16 H ASP 16 2.725 3.568 -18.344 135 HA ASP 16 HA ASP 16 3.498 2.536 -20.995 136 1HB ASP 16 3HB ASP 16 1.047 2.650 -20.026 137 2HB ASP 16 2HB ASP 16 1.134 4.334 -20.544 138 H GLU 17 H GLU 17 3.280 5.421 -19.089 139 HA GLU 17 HA GLU 17 3.814 7.338 -21.158 140 1HB GLU 17 3HB GLU 17 3.393 7.264 -18.336 141 2HB GLU 17 2HB GLU 17 4.861 8.186 -18.648 142 1HG GLU 17 2HG GLU 17 2.843 8.854 -20.587 143 2HG GLU 17 1HG GLU 17 2.192 9.020 -18.963 144 H ARG 18 H ARG 18 5.773 5.319 -19.070 145 HA ARG 18 HA ARG 18 8.297 6.565 -19.887 146 1HB ARG 18 3HB ARG 18 9.369 5.031 -18.447 147 2HB ARG 18 2HB ARG 18 7.827 5.326 -17.654 148 1HG ARG 18 2HG ARG 18 7.844 3.026 -17.574 149 2HG ARG 18 1HG ARG 18 7.078 3.241 -19.142 150 1HD ARG 18 2HD ARG 18 9.036 2.715 -20.317 151 2HD ARG 18 1HD ARG 18 10.075 3.094 -18.943 152 HE ARG 18 HE ARG 18 8.571 0.573 -19.333 153 1HH1 ARG 18 1HH2 ARG 18 11.561 0.960 -18.705 154 2HH1 ARG 18 2HH2 ARG 18 11.611 0.431 -17.056 155 1HH2 ARG 18 1HH1 ARG 18 8.175 0.612 -16.619 156 2HH2 ARG 18 2HH1 ARG 18 9.694 0.235 -15.876 157 H ARG 19 H ARG 19 6.358 3.777 -20.687 158 HA ARG 19 HA ARG 19 8.221 2.584 -22.510 159 1HB ARG 19 3HB ARG 19 5.386 2.243 -21.731 160 2HB ARG 19 2HB ARG 19 5.759 1.790 -23.393 161 1HG ARG 19 2HG ARG 19 7.868 0.766 -21.841 162 2HG ARG 19 1HG ARG 19 6.398 0.393 -20.942 163 1HD ARG 19 2HD ARG 19 5.591 -1.012 -22.567 164 2HD ARG 19 1HD ARG 19 6.308 -0.075 -23.879 165 HE ARG 19 HE ARG 19 8.232 -1.434 -23.720 166 1HH1 ARG 19 1HH2 ARG 19 8.245 -0.889 -20.626 167 2HH1 ARG 19 2HH2 ARG 19 8.284 -2.522 -20.050 168 1HH2 ARG 19 1HH1 ARG 19 7.427 -3.904 -23.113 169 2HH2 ARG 19 2HH1 ARG 19 7.821 -4.230 -21.457 170 H LYS 20 H LYS 20 5.506 4.837 -22.779 171 HA LYS 20 HA LYS 20 5.782 5.053 -25.629 172 1HB LYS 20 3HB LYS 20 4.126 6.795 -25.545 173 2HB LYS 20 2HB LYS 20 3.650 5.544 -24.398 174 1HG LYS 20 2HG LYS 20 3.461 7.282 -22.952 175 2HG LYS 20 1HG LYS 20 5.209 7.114 -22.820 176 1HD LYS 20 2HD LYS 20 4.740 9.440 -23.267 177 2HD LYS 20 1HD LYS 20 5.427 8.745 -24.735 178 1HE LYS 20 2HE LYS 20 3.604 9.612 -25.774 179 2HE LYS 20 1HE LYS 20 2.738 8.250 -25.065 180 1HZ LYS 20 1HZ LYS 20 2.389 9.693 -23.071 181 2HZ LYS 20 2HZ LYS 20 1.570 10.198 -24.471 182 3HZ LYS 20 3HZ LYS 20 2.986 10.996 -23.978 183 H ILE 21 H ILE 21 7.495 6.384 -23.022 184 HA ILE 21 HA ILE 21 8.503 8.611 -24.693 185 HB ILE 21 HB ILE 21 8.136 8.220 -21.849 186 1HG1 ILE 21 2HG1 ILE 21 9.218 10.773 -22.836 187 2HG1 ILE 21 1HG1 ILE 21 7.790 10.203 -23.701 188 1HG2 ILE 21 1HG2 ILE 21 10.201 9.022 -20.970 189 2HG2 ILE 21 2HG2 ILE 21 10.845 9.332 -22.583 190 3HG2 ILE 21 3HG2 ILE 21 10.609 7.675 -22.031 191 1HD1 ILE 21 1HD1 ILE 21 6.435 10.629 -21.945 192 2HD1 ILE 21 2HD1 ILE 21 7.780 11.544 -21.265 193 3HD1 ILE 21 3HD1 ILE 21 7.541 9.856 -20.811 194 H LEU 22 H LEU 22 9.651 5.796 -22.901 195 HA LEU 22 HA LEU 22 12.380 5.912 -23.466 196 1HB LEU 22 3HB LEU 22 10.874 4.154 -22.255 197 2HB LEU 22 2HB LEU 22 10.878 3.357 -23.822 198 HG LEU 22 HG LEU 22 13.419 3.662 -23.780 199 1HD1 LEU 22 1HD1 LEU 22 13.011 3.786 -20.803 200 2HD1 LEU 22 2HD1 LEU 22 13.102 5.273 -21.748 201 3HD1 LEU 22 3HD1 LEU 22 14.462 4.150 -21.738 202 1HD2 LEU 22 1HD2 LEU 22 12.349 1.517 -23.522 203 2HD2 LEU 22 2HD2 LEU 22 11.948 1.874 -21.842 204 3HD2 LEU 22 3HD2 LEU 22 13.631 1.640 -22.318 205 H GLN 23 H GLN 23 9.698 5.140 -25.524 206 HA GLN 23 HA GLN 23 11.143 3.990 -27.701 207 1HB GLN 23 3HB GLN 23 9.169 4.525 -29.010 208 2HB GLN 23 2HB GLN 23 8.666 3.926 -27.432 209 1HG GLN 23 2HG GLN 23 8.557 6.278 -26.647 210 2HG GLN 23 1HG GLN 23 8.879 6.799 -28.294 211 1HE2 GLN 23 1HE2 GLN 23 7.013 3.918 -28.265 212 2HE2 GLN 23 2HE2 GLN 23 5.492 4.628 -28.503 213 H ALA 24 H ALA 24 10.273 7.124 -26.692 214 HA ALA 24 HA ALA 24 11.542 8.478 -28.950 215 1HB ALA 24 1HB ALA 24 9.795 9.240 -26.684 216 2HB ALA 24 2HB ALA 24 9.770 9.799 -28.357 217 3HB ALA 24 3HB ALA 24 10.936 10.474 -27.220 218 H PHE 25 H PHE 25 12.529 7.142 -26.048 219 HA PHE 25 HA PHE 25 15.129 8.441 -26.218 220 1HB PHE 25 3HB PHE 25 13.508 8.639 -23.659 221 2HB PHE 25 2HB PHE 25 15.152 9.224 -23.906 222 HD1 PHE 25 HD1 PHE 25 15.608 11.232 -25.182 223 HD2 PHE 25 HD2 PHE 25 11.592 9.777 -24.724 224 HE1 PHE 25 HE1 PHE 25 14.731 13.394 -26.022 225 HE2 PHE 25 HE2 PHE 25 10.716 11.941 -25.568 226 HZ PHE 25 HZ PHE 25 12.285 13.748 -26.216 227 HA PRO 26 HA PRO 26 14.948 3.964 -25.034 228 1HB PRO 26 3HB PRO 26 16.799 3.228 -26.930 229 2HB PRO 26 2HB PRO 26 15.050 3.262 -27.208 230 1HG PRO 26 2HG PRO 26 17.135 5.238 -28.078 231 2HG PRO 26 1HG PRO 26 15.636 4.758 -28.894 232 1HD PRO 26 2HD PRO 26 15.911 7.122 -27.459 233 2HD PRO 26 1HD PRO 26 14.363 6.311 -27.747 234 H ASP 27 H ASP 27 17.136 6.498 -24.849 235 HA ASP 27 HA ASP 27 19.246 4.796 -23.619 236 1HB ASP 27 3HB ASP 27 19.377 7.093 -25.254 237 2HB ASP 27 2HB ASP 27 19.909 7.574 -23.648 238 H MET 28 H MET 28 16.883 7.265 -23.111 239 HA MET 28 HA MET 28 17.550 8.049 -20.457 240 1HB MET 28 3HB MET 28 15.758 8.965 -22.208 241 2HB MET 28 2HB MET 28 14.717 7.900 -21.273 242 1HG MET 28 2HG MET 28 15.093 9.058 -19.275 243 2HG MET 28 1HG MET 28 16.557 9.824 -19.890 244 1HE MET 28 1HE MET 28 15.099 10.933 -23.036 245 2HE MET 28 2HE MET 28 16.559 10.878 -22.054 246 3HE MET 28 3HE MET 28 15.686 12.397 -22.237 247 H HIS 29 H HIS 29 18.057 6.201 -19.319 248 HA HIS 29 HA HIS 29 16.270 3.934 -19.303 249 1HB HIS 29 3HB HIS 29 17.853 2.906 -17.871 250 2HB HIS 29 2HB HIS 29 18.786 3.896 -18.993 251 HD1 HIS 29 HD1 HIS 29 19.168 3.097 -15.710 252 HD2 HIS 29 HD2 HIS 29 18.573 6.786 -17.544 253 HE1 HIS 29 HE1 HIS 29 20.041 4.844 -14.095 254 H ASN 30 H ASN 30 16.292 3.226 -16.562 255 HA ASN 30 HA ASN 30 13.886 4.411 -15.666 256 1HB ASN 30 3HB ASN 30 15.782 2.460 -14.691 257 2HB ASN 30 2HB ASN 30 15.225 3.486 -13.368 258 1HD2 ASN 30 1HD2 ASN 30 14.408 0.743 -15.180 259 2HD2 ASN 30 2HD2 ASN 30 12.755 0.678 -14.801 260 H SER 31 H SER 31 16.919 4.733 -13.817 261 HA SER 31 HA SER 31 16.294 6.782 -12.150 262 1HB SER 31 3HB SER 31 18.508 6.884 -11.744 263 2HB SER 31 2HB SER 31 18.657 5.636 -12.974 264 HG SER 31 HG SER 31 19.831 7.841 -13.112 265 H ASN 32 H ASN 32 16.671 7.151 -15.626 266 HA ASN 32 HA ASN 32 16.514 10.092 -15.344 267 1HB ASN 32 3HB ASN 32 17.774 8.396 -17.177 268 2HB ASN 32 2HB ASN 32 16.481 9.197 -18.051 269 1HD2 ASN 32 1HD2 ASN 32 19.229 9.927 -15.856 270 2HD2 ASN 32 2HD2 ASN 32 19.518 11.476 -16.488 271 H ILE 33 H ILE 33 14.834 7.518 -17.164 272 HA ILE 33 HA ILE 33 12.655 9.090 -18.037 273 HB ILE 33 HB ILE 33 12.795 6.156 -17.315 274 1HG1 ILE 33 2HG1 ILE 33 14.144 7.183 -19.244 275 2HG1 ILE 33 1HG1 ILE 33 13.109 5.813 -19.646 276 1HG2 ILE 33 1HG2 ILE 33 10.532 6.166 -17.388 277 2HG2 ILE 33 2HG2 ILE 33 10.687 6.528 -19.106 278 3HG2 ILE 33 3HG2 ILE 33 10.490 7.838 -17.943 279 1HD1 ILE 33 1HD1 ILE 33 12.085 7.088 -21.179 280 2HD1 ILE 33 2HD1 ILE 33 13.031 8.492 -20.694 281 3HD1 ILE 33 3HD1 ILE 33 11.503 8.143 -19.894 282 H SER 34 H SER 34 13.298 7.575 -14.947 283 HA SER 34 HA SER 34 10.747 7.750 -13.742 284 1HB SER 34 3HB SER 34 13.524 7.558 -12.870 285 2HB SER 34 2HB SER 34 12.532 8.486 -11.748 286 HG SER 34 HG SER 34 12.596 5.835 -12.164 287 H LYS 35 H LYS 35 13.332 10.184 -13.985 288 HA LYS 35 HA LYS 35 11.892 12.222 -12.587 289 1HB LYS 35 3HB LYS 35 14.008 12.644 -14.714 290 2HB LYS 35 2HB LYS 35 13.581 13.740 -13.400 291 1HG LYS 35 2HG LYS 35 14.522 12.312 -11.753 292 2HG LYS 35 1HG LYS 35 14.598 10.947 -12.866 293 1HD LYS 35 2HD LYS 35 16.831 11.921 -12.568 294 2HD LYS 35 1HD LYS 35 16.276 12.161 -14.226 295 1HE LYS 35 2HE LYS 35 17.131 14.276 -13.589 296 2HE LYS 35 1HE LYS 35 15.384 14.439 -13.399 297 1HZ LYS 35 1HZ LYS 35 15.820 13.675 -11.014 298 2HZ LYS 35 2HZ LYS 35 16.241 15.268 -11.425 299 3HZ LYS 35 3HZ LYS 35 17.442 14.071 -11.316 300 H ILE 36 H ILE 36 11.944 10.969 -15.798 301 HA ILE 36 HA ILE 36 10.573 13.162 -17.046 302 HB ILE 36 HB ILE 36 11.234 10.377 -17.790 303 1HG1 ILE 36 2HG1 ILE 36 12.217 11.587 -19.769 304 2HG1 ILE 36 1HG1 ILE 36 11.708 13.099 -19.019 305 1HG2 ILE 36 1HG2 ILE 36 10.025 11.321 -20.070 306 2HG2 ILE 36 2HG2 ILE 36 8.938 11.910 -18.811 307 3HG2 ILE 36 3HG2 ILE 36 9.281 10.186 -18.944 308 1HD1 ILE 36 1HD1 ILE 36 13.665 11.076 -17.903 309 2HD1 ILE 36 2HD1 ILE 36 13.042 12.446 -16.983 310 3HD1 ILE 36 3HD1 ILE 36 14.019 12.723 -18.423 311 H LEU 37 H LEU 37 9.594 9.930 -16.011 312 HA LEU 37 HA LEU 37 6.806 10.169 -16.441 313 1HB LEU 37 3HB LEU 37 8.350 8.665 -14.328 314 2HB LEU 37 2HB LEU 37 6.640 8.455 -14.660 315 HG LEU 37 HG LEU 37 8.862 8.049 -16.669 316 1HD1 LEU 37 1HD1 LEU 37 7.195 5.773 -15.884 317 2HD1 LEU 37 2HD1 LEU 37 8.146 6.430 -14.552 318 3HD1 LEU 37 3HD1 LEU 37 8.949 5.887 -16.027 319 1HD2 LEU 37 1HD2 LEU 37 5.875 7.489 -16.813 320 2HD2 LEU 37 2HD2 LEU 37 7.055 7.062 -18.048 321 3HD2 LEU 37 3HD2 LEU 37 6.729 8.755 -17.694 322 H GLY 38 H GLY 38 8.600 10.473 -13.393 323 1HA GLY 38 2HA GLY 38 6.463 11.473 -11.825 324 2HA GLY 38 1HA GLY 38 8.168 11.765 -11.475 325 H SER 39 H SER 39 8.173 12.943 -14.378 326 HA SER 39 HA SER 39 7.356 15.638 -13.490 327 1HB SER 39 3HB SER 39 8.850 16.511 -15.186 328 2HB SER 39 2HB SER 39 9.730 15.290 -14.274 329 HG SER 39 HG SER 39 10.010 14.917 -16.470 330 H ARG 40 H ARG 40 6.627 13.034 -15.556 331 HA ARG 40 HA ARG 40 5.003 14.633 -17.396 332 1HB ARG 40 3HB ARG 40 5.915 11.841 -17.104 333 2HB ARG 40 2HB ARG 40 4.437 12.111 -17.996 334 1HG ARG 40 2HG ARG 40 6.500 14.019 -18.727 335 2HG ARG 40 1HG ARG 40 7.030 12.356 -18.986 336 1HD ARG 40 2HD ARG 40 5.213 11.889 -20.413 337 2HD ARG 40 1HD ARG 40 4.341 13.340 -19.927 338 HE ARG 40 HE ARG 40 5.970 13.331 -22.139 339 1HH1 ARG 40 1HH1 ARG 40 4.868 15.711 -20.331 340 2HH1 ARG 40 2HH1 ARG 40 6.292 16.695 -20.293 341 1HH2 ARG 40 1HH2 ARG 40 8.366 14.210 -21.535 342 2HH2 ARG 40 2HH2 ARG 40 8.273 15.846 -20.974 343 H TRP 41 H TRP 41 4.911 12.692 -14.582 344 HA TRP 41 HA TRP 41 2.118 12.185 -14.354 345 1HB TRP 41 3HB TRP 41 3.954 11.039 -13.096 346 2HB TRP 41 2HB TRP 41 4.190 12.526 -12.184 347 HD1 TRP 41 HD1 TRP 41 2.830 12.613 -10.023 348 HE1 TRP 41 HE1 TRP 41 0.599 11.573 -9.199 349 HE3 TRP 41 HE3 TRP 41 1.480 10.156 -14.210 350 HZ2 TRP 41 HZ2 TRP 41 -1.503 9.883 -10.265 351 HZ3 TRP 41 HZ3 TRP 41 -0.611 8.837 -14.304 352 HH2 TRP 41 HH2 TRP 41 -2.098 8.714 -12.399 353 H LYS 42 H LYS 42 4.176 14.453 -12.524 354 HA LYS 42 HA LYS 42 1.984 15.870 -11.393 355 1HB LYS 42 3HB LYS 42 4.865 16.664 -11.891 356 2HB LYS 42 2HB LYS 42 3.719 17.703 -11.038 357 1HG LYS 42 2HG LYS 42 3.567 15.014 -9.998 358 2HG LYS 42 1HG LYS 42 5.232 15.582 -9.948 359 1HD LYS 42 2HD LYS 42 3.064 17.435 -9.037 360 2HD LYS 42 1HD LYS 42 3.568 16.130 -7.962 361 1HE LYS 42 2HE LYS 42 5.386 17.312 -7.372 362 2HE LYS 42 1HE LYS 42 5.921 17.330 -9.053 363 1HZ LYS 42 1HZ LYS 42 3.768 19.152 -8.528 364 2HZ LYS 42 2HZ LYS 42 5.252 19.421 -9.311 365 3HZ LYS 42 3HZ LYS 42 5.156 19.497 -7.617 366 H ALA 43 H ALA 43 3.431 15.825 -14.481 367 HA ALA 43 HA ALA 43 2.558 18.425 -15.336 368 1HB ALA 43 1HB ALA 43 3.129 17.371 -17.638 369 2HB ALA 43 2HB ALA 43 3.727 16.010 -16.690 370 3HB ALA 43 3HB ALA 43 4.444 17.608 -16.487 371 H MET 44 H MET 44 0.932 15.590 -14.675 372 HA MET 44 HA MET 44 -0.946 15.574 -16.885 373 1HB MET 44 3HB MET 44 -1.100 14.335 -14.119 374 2HB MET 44 2HB MET 44 -2.194 13.987 -15.453 375 1HG MET 44 2HG MET 44 0.227 13.591 -16.653 376 2HG MET 44 1HG MET 44 0.568 13.060 -15.006 377 1HE MET 44 1HE MET 44 -2.735 12.503 -14.494 378 2HE MET 44 2HE MET 44 -1.401 11.705 -13.668 379 3HE MET 44 3HE MET 44 -2.638 10.738 -14.469 380 H THR 45 H THR 45 -3.255 15.330 -14.848 381 HA THR 45 HA THR 45 -3.494 18.238 -14.213 382 HB THR 45 HB THR 45 -5.987 17.836 -14.945 383 HG1 THR 45 HG1 THR 45 -4.893 16.166 -16.853 384 1HG2 THR 45 1HG2 THR 45 -3.639 18.824 -16.211 385 2HG2 THR 45 2HG2 THR 45 -5.311 19.276 -16.538 386 3HG2 THR 45 3HG2 THR 45 -4.563 17.953 -17.433 387 H ASN 46 H ASN 46 -5.716 15.508 -14.023 388 HA ASN 46 HA ASN 46 -5.487 14.776 -11.338 389 1HB ASN 46 3HB ASN 46 -5.958 17.102 -10.711 390 2HB ASN 46 2HB ASN 46 -7.396 17.111 -11.734 391 1HD2 ASN 46 1HD2 ASN 46 -6.193 16.290 -8.590 392 2HD2 ASN 46 2HD2 ASN 46 -7.612 15.568 -8.001 393 H LEU 47 H LEU 47 -7.884 15.818 -13.723 394 HA LEU 47 HA LEU 47 -9.736 13.659 -13.152 395 1HB LEU 47 3HB LEU 47 -9.732 15.983 -14.761 396 2HB LEU 47 2HB LEU 47 -9.895 14.625 -15.877 397 HG LEU 47 HG LEU 47 -11.560 14.825 -13.366 398 1HD1 LEU 47 1HD1 LEU 47 -12.989 16.295 -14.321 399 2HD1 LEU 47 2HD1 LEU 47 -12.865 15.518 -15.899 400 3HD1 LEU 47 3HD1 LEU 47 -11.647 16.690 -15.395 401 1HD2 LEU 47 1HD2 LEU 47 -11.591 12.641 -14.335 402 2HD2 LEU 47 2HD2 LEU 47 -11.710 13.291 -15.971 403 3HD2 LEU 47 3HD2 LEU 47 -13.081 13.418 -14.869 404 H GLU 48 H GLU 48 -6.912 14.182 -15.119 405 HA GLU 48 HA GLU 48 -7.208 11.801 -16.749 406 1HB GLU 48 3HB GLU 48 -5.483 14.046 -16.683 407 2HB GLU 48 2HB GLU 48 -4.463 12.623 -16.463 408 1HG GLU 48 2HG GLU 48 -4.609 12.864 -18.812 409 2HG GLU 48 1HG GLU 48 -5.785 11.606 -18.436 410 H LYS 49 H LYS 49 -6.296 12.448 -13.536 411 HA LYS 49 HA LYS 49 -4.572 10.078 -13.231 412 1HB LYS 49 3HB LYS 49 -5.183 12.461 -11.705 413 2HB LYS 49 2HB LYS 49 -5.359 11.025 -10.695 414 1HG LYS 49 2HG LYS 49 -3.121 10.914 -10.520 415 2HG LYS 49 1HG LYS 49 -3.032 10.643 -12.259 416 1HD LYS 49 2HD LYS 49 -1.717 12.568 -11.960 417 2HD LYS 49 1HD LYS 49 -3.281 13.224 -12.449 418 1HE LYS 49 2HE LYS 49 -3.479 14.323 -10.498 419 2HE LYS 49 1HE LYS 49 -3.245 12.827 -9.594 420 1HZ LYS 49 1HZ LYS 49 -1.168 14.685 -10.596 421 2HZ LYS 49 2HZ LYS 49 -0.811 13.119 -10.042 422 3HZ LYS 49 3HZ LYS 49 -1.497 14.262 -8.988 423 H GLN 50 H GLN 50 -7.929 10.877 -12.984 424 HA GLN 50 HA GLN 50 -8.751 8.935 -11.082 425 1HB GLN 50 3HB GLN 50 -10.845 9.676 -11.501 426 2HB GLN 50 2HB GLN 50 -10.012 10.929 -12.408 427 1HG GLN 50 2HG GLN 50 -11.290 10.287 -14.150 428 2HG GLN 50 1HG GLN 50 -10.245 8.882 -14.263 429 1HE2 GLN 50 1HE2 GLN 50 -13.081 8.869 -14.951 430 2HE2 GLN 50 2HE2 GLN 50 -13.849 7.801 -13.877 431 HA PRO 51 HA PRO 51 -9.342 5.913 -14.749 432 1HB PRO 51 3HB PRO 51 -7.663 6.243 -16.889 433 2HB PRO 51 2HB PRO 51 -9.292 6.920 -16.792 434 1HG PRO 51 2HG PRO 51 -6.674 8.309 -16.520 435 2HG PRO 51 1HG PRO 51 -8.234 8.953 -17.058 436 1HD PRO 51 2HD PRO 51 -7.092 9.301 -14.505 437 2HD PRO 51 1HD PRO 51 -8.770 9.654 -14.940 438 H TYR 52 H TYR 52 -5.938 7.076 -14.818 439 HA TYR 52 HA TYR 52 -4.808 4.439 -14.655 440 1HB TYR 52 3HB TYR 52 -3.466 6.873 -13.495 441 2HB TYR 52 2HB TYR 52 -2.739 5.514 -14.356 442 HD1 TYR 52 HD1 TYR 52 -4.081 5.154 -16.768 443 HD2 TYR 52 HD2 TYR 52 -3.374 8.851 -14.707 444 HE1 TYR 52 HE1 TYR 52 -4.299 6.381 -18.902 445 HE2 TYR 52 HE2 TYR 52 -3.588 10.084 -16.839 446 HH TYR 52 HH TYR 52 -4.312 9.910 -19.002 447 H TYR 53 H TYR 53 -6.508 6.384 -12.473 448 HA TYR 53 HA TYR 53 -5.256 5.454 -10.039 449 1HB TYR 53 3HB TYR 53 -7.436 7.222 -10.824 450 2HB TYR 53 2HB TYR 53 -7.843 6.252 -9.414 451 HD1 TYR 53 HD1 TYR 53 -4.645 7.744 -10.656 452 HD2 TYR 53 HD2 TYR 53 -7.499 7.489 -7.460 453 HE1 TYR 53 HE1 TYR 53 -3.200 9.187 -9.260 454 HE2 TYR 53 HE2 TYR 53 -6.056 8.931 -6.058 455 HH TYR 53 HH TYR 53 -3.104 9.398 -6.318 456 H GLU 54 H GLU 54 -8.478 4.826 -11.440 457 HA GLU 54 HA GLU 54 -8.954 2.545 -9.761 458 1HB GLU 54 3HB GLU 54 -10.727 2.064 -11.615 459 2HB GLU 54 2HB GLU 54 -10.919 3.504 -10.620 460 1HG GLU 54 2HG GLU 54 -10.616 4.881 -12.386 461 2HG GLU 54 1HG GLU 54 -9.219 3.968 -12.955 462 H GLU 55 H GLU 55 -7.468 2.960 -12.920 463 HA GLU 55 HA GLU 55 -7.462 0.184 -13.639 464 1HB GLU 55 3HB GLU 55 -5.846 2.547 -14.469 465 2HB GLU 55 2HB GLU 55 -5.476 0.947 -15.085 466 1HG GLU 55 2HG GLU 55 -8.061 0.886 -15.606 467 2HG GLU 55 1HG GLU 55 -7.908 2.643 -15.541 468 H GLN 56 H GLN 56 -5.762 1.984 -11.310 469 HA GLN 56 HA GLN 56 -3.463 0.156 -11.224 470 1HB GLN 56 3HB GLN 56 -3.163 2.532 -10.681 471 2HB GLN 56 2HB GLN 56 -4.282 2.341 -9.355 472 1HG GLN 56 2HG GLN 56 -1.995 0.447 -9.474 473 2HG GLN 56 1HG GLN 56 -1.652 2.106 -8.991 474 1HE2 GLN 56 1HE2 GLN 56 -3.137 -0.893 -7.978 475 2HE2 GLN 56 2HE2 GLN 56 -3.610 -0.368 -6.434 476 H ALA 57 H ALA 57 -6.019 1.136 -8.981 477 HA ALA 57 HA ALA 57 -5.664 -0.902 -7.091 478 1HB ALA 57 1HB ALA 57 -7.753 0.996 -7.790 479 2HB ALA 57 2HB ALA 57 -7.326 0.344 -6.206 480 3HB ALA 57 3HB ALA 57 -8.436 -0.539 -7.253 481 H ARG 58 H ARG 58 -6.972 -1.023 -10.312 482 HA ARG 58 HA ARG 58 -8.420 -3.506 -10.027 483 1HB ARG 58 3HB ARG 58 -7.252 -2.078 -12.426 484 2HB ARG 58 2HB ARG 58 -8.198 -3.562 -12.551 485 1HG ARG 58 2HG ARG 58 -9.493 -1.557 -10.863 486 2HG ARG 58 1HG ARG 58 -9.229 -0.982 -12.510 487 1HD ARG 58 2HD ARG 58 -10.463 -2.774 -13.452 488 2HD ARG 58 1HD ARG 58 -10.407 -3.707 -11.957 489 HE ARG 58 HE ARG 58 -11.841 -1.673 -11.060 490 1HH1 ARG 58 1HH2 ARG 58 -12.141 -3.676 -13.805 491 2HH1 ARG 58 2HH2 ARG 58 -13.675 -3.035 -14.291 492 1HH2 ARG 58 1HH1 ARG 58 -13.719 -0.571 -11.853 493 2HH2 ARG 58 2HH1 ARG 58 -14.569 -1.279 -13.187 494 H LEU 59 H LEU 59 -5.343 -2.844 -11.711 495 HA LEU 59 HA LEU 59 -4.536 -5.524 -11.996 496 1HB LEU 59 3HB LEU 59 -2.194 -4.565 -12.069 497 2HB LEU 59 2HB LEU 59 -3.334 -3.820 -13.183 498 HG LEU 59 HG LEU 59 -3.750 -2.100 -11.303 499 1HD1 LEU 59 1HD1 LEU 59 -1.172 -2.151 -10.191 500 2HD1 LEU 59 2HD1 LEU 59 -1.740 -3.818 -10.101 501 3HD1 LEU 59 3HD1 LEU 59 -2.680 -2.525 -9.360 502 1HD2 LEU 59 1HD2 LEU 59 -0.950 -2.074 -12.434 503 2HD2 LEU 59 2HD2 LEU 59 -2.030 -0.706 -12.158 504 3HD2 LEU 59 3HD2 LEU 59 -2.364 -1.845 -13.464 505 H SER 60 H SER 60 -4.453 -3.441 -9.179 506 HA SER 60 HA SER 60 -2.609 -5.108 -7.660 507 1HB SER 60 3HB SER 60 -3.119 -2.688 -7.120 508 2HB SER 60 2HB SER 60 -4.725 -3.200 -6.610 509 HG SER 60 HG SER 60 -2.217 -3.688 -5.457 510 H LYS 61 H LYS 61 -6.095 -4.720 -7.940 511 HA LYS 61 HA LYS 61 -6.791 -6.826 -6.090 512 1HB LYS 61 3HB LYS 61 -8.252 -4.882 -6.986 513 2HB LYS 61 2HB LYS 61 -8.474 -5.888 -8.418 514 1HG LYS 61 2HG LYS 61 -10.237 -6.721 -7.220 515 2HG LYS 61 1HG LYS 61 -8.983 -7.716 -6.480 516 1HD LYS 61 2HD LYS 61 -8.708 -5.644 -4.871 517 2HD LYS 61 1HD LYS 61 -10.355 -5.281 -5.391 518 1HE LYS 61 2HE LYS 61 -11.084 -7.527 -4.704 519 2HE LYS 61 1HE LYS 61 -9.436 -7.917 -4.207 520 1HZ LYS 61 1HZ LYS 61 -10.999 -5.652 -3.100 521 2HZ LYS 61 2HZ LYS 61 -9.511 -6.249 -2.538 522 3HZ LYS 61 3HZ LYS 61 -10.921 -7.183 -2.375 523 H GLN 62 H GLN 62 -5.984 -6.609 -9.484 524 HA GLN 62 HA GLN 62 -6.891 -9.263 -10.216 525 1HB GLN 62 3HB GLN 62 -4.944 -7.319 -11.490 526 2HB GLN 62 2HB GLN 62 -5.373 -8.869 -12.215 527 1HG GLN 62 2HG GLN 62 -7.691 -7.275 -11.351 528 2HG GLN 62 1HG GLN 62 -6.740 -6.519 -12.629 529 1HE2 GLN 62 1HE2 GLN 62 -9.455 -8.129 -12.531 530 2HE2 GLN 62 2HE2 GLN 62 -9.291 -9.208 -13.831 531 H HIS 63 H HIS 63 -4.229 -8.050 -8.451 532 HA HIS 63 HA HIS 63 -2.401 -10.234 -9.116 533 1HB HIS 63 3HB HIS 63 -1.677 -7.907 -8.387 534 2HB HIS 63 2HB HIS 63 -2.215 -8.344 -6.764 535 HD1 HIS 63 HD1 HIS 63 -0.970 -11.308 -8.378 536 HD2 HIS 63 HD2 HIS 63 0.795 -8.098 -6.388 537 HE1 HIS 63 HE1 HIS 63 1.363 -12.058 -7.737 538 H LEU 64 H LEU 64 -3.761 -9.254 -5.957 539 HA LEU 64 HA LEU 64 -3.283 -11.593 -4.577 540 1HB LEU 64 3HB LEU 64 -5.821 -9.950 -4.398 541 2HB LEU 64 2HB LEU 64 -5.194 -11.024 -3.156 542 HG LEU 64 HG LEU 64 -4.338 -9.048 -2.368 543 1HD1 LEU 64 1HD1 LEU 64 -2.218 -9.441 -4.471 544 2HD1 LEU 64 2HD1 LEU 64 -2.430 -10.589 -3.148 545 3HD1 LEU 64 3HD1 LEU 64 -2.020 -8.910 -2.801 546 1HD2 LEU 64 1HD2 LEU 64 -5.025 -8.141 -4.986 547 2HD2 LEU 64 2HD2 LEU 64 -3.399 -7.573 -4.610 548 3HD2 LEU 64 3HD2 LEU 64 -4.742 -7.179 -3.537 549 H GLU 65 H GLU 65 -6.015 -10.985 -6.743 550 HA GLU 65 HA GLU 65 -7.452 -13.357 -6.294 551 1HB GLU 65 3HB GLU 65 -8.157 -13.108 -8.690 552 2HB GLU 65 2HB GLU 65 -8.334 -11.638 -7.733 553 1HG GLU 65 2HG GLU 65 -6.703 -10.542 -8.875 554 2HG GLU 65 1HG GLU 65 -5.715 -11.990 -9.051 555 H LYS 66 H LYS 66 -4.443 -12.799 -7.850 556 HA LYS 66 HA LYS 66 -4.341 -15.221 -9.415 557 1HB LYS 66 3HB LYS 66 -2.193 -13.350 -8.413 558 2HB LYS 66 2HB LYS 66 -1.843 -14.759 -9.399 559 1HG LYS 66 2HG LYS 66 -4.029 -13.177 -10.502 560 2HG LYS 66 1HG LYS 66 -2.538 -12.246 -10.360 561 1HD LYS 66 2HD LYS 66 -2.642 -13.402 -12.537 562 2HD LYS 66 1HD LYS 66 -1.311 -14.022 -11.559 563 1HE LYS 66 2HE LYS 66 -2.410 -15.948 -12.445 564 2HE LYS 66 1HE LYS 66 -2.924 -15.836 -10.761 565 1HZ LYS 66 1HZ LYS 66 -4.915 -14.640 -11.541 566 2HZ LYS 66 2HZ LYS 66 -4.825 -16.231 -12.132 567 3HZ LYS 66 3HZ LYS 66 -4.439 -14.921 -13.144 568 H TYR 67 H TYR 67 -2.869 -14.353 -6.276 569 HA TYR 67 HA TYR 67 -2.861 -17.277 -5.662 570 1HB TYR 67 3HB TYR 67 -0.701 -15.496 -4.589 571 2HB TYR 67 2HB TYR 67 -0.678 -17.237 -4.863 572 HD1 TYR 67 HD1 TYR 67 0.747 -14.337 -6.005 573 HD2 TYR 67 HD2 TYR 67 -1.380 -17.749 -7.517 574 HE1 TYR 67 HE1 TYR 67 1.761 -13.980 -8.240 575 HE2 TYR 67 HE2 TYR 67 -0.366 -17.392 -9.751 576 HH TYR 67 HH TYR 67 1.553 -16.321 -10.748 577 HA PRO 68 HA PRO 68 -4.706 -14.684 -2.228 578 1HB PRO 68 3HB PRO 68 -7.319 -15.411 -2.591 579 2HB PRO 68 2HB PRO 68 -6.598 -13.990 -3.355 580 1HG PRO 68 2HG PRO 68 -7.315 -16.610 -4.578 581 2HG PRO 68 1HG PRO 68 -7.203 -15.012 -5.335 582 1HD PRO 68 2HD PRO 68 -5.259 -17.065 -5.502 583 2HD PRO 68 1HD PRO 68 -5.038 -15.365 -5.962 584 H ASP 69 H ASP 69 -6.437 -17.592 -3.249 585 HA ASP 69 HA ASP 69 -6.195 -18.741 -0.573 586 1HB ASP 69 3HB ASP 69 -7.965 -19.080 -2.879 587 2HB ASP 69 2HB ASP 69 -7.492 -20.612 -2.144 588 H TYR 70 H TYR 70 -3.697 -18.734 -1.376 589 HA TYR 70 HA TYR 70 -2.830 -20.761 -3.149 590 1HB TYR 70 3HB TYR 70 -0.661 -20.600 -1.831 591 2HB TYR 70 2HB TYR 70 -1.261 -19.079 -2.489 592 HD1 TYR 70 HD1 TYR 70 -1.412 -17.241 -1.064 593 HD2 TYR 70 HD2 TYR 70 -1.611 -21.203 0.584 594 HE1 TYR 70 HE1 TYR 70 -1.504 -16.285 1.223 595 HE2 TYR 70 HE2 TYR 70 -1.703 -20.248 2.871 596 HH TYR 70 HH TYR 70 -2.549 -17.338 3.610 Start of MODEL 7 1 HA PRO 1 HA PRO 1 7.025 -8.148 -9.116 2 1HB PRO 1 3HB PRO 1 7.932 -10.788 -8.459 3 2HB PRO 1 2HB PRO 1 8.886 -9.428 -9.069 4 1HG PRO 1 2HG PRO 1 8.894 -10.531 -6.429 5 2HG PRO 1 1HG PRO 1 9.829 -9.159 -7.041 6 1HD PRO 1 2HD PRO 1 7.585 -9.108 -5.254 7 2HD PRO 1 1HD PRO 1 8.536 -7.745 -5.854 8 H HIS 2 H HIS 2 5.961 -10.725 -6.853 9 HA HIS 2 HA HIS 2 3.635 -11.147 -8.673 10 1HB HIS 2 3HB HIS 2 3.776 -13.576 -8.234 11 2HB HIS 2 2HB HIS 2 5.227 -12.978 -9.029 12 HD1 HIS 2 HD1 HIS 2 5.355 -11.906 -5.578 13 HD2 HIS 2 HD2 HIS 2 6.223 -15.457 -7.583 14 HE1 HIS 2 HE1 HIS 2 6.817 -13.265 -4.026 15 H ILE 3 H ILE 3 3.451 -9.493 -6.493 16 HA ILE 3 HA ILE 3 1.960 -11.164 -4.504 17 HB ILE 3 HB ILE 3 2.711 -8.405 -3.730 18 1HG1 ILE 3 2HG1 ILE 3 4.800 -10.583 -4.076 19 2HG1 ILE 3 1HG1 ILE 3 4.763 -9.028 -4.909 20 1HG2 ILE 3 1HG2 ILE 3 2.746 -11.155 -2.473 21 2HG2 ILE 3 2HG2 ILE 3 1.685 -9.800 -2.089 22 3HG2 ILE 3 3HG2 ILE 3 3.392 -9.735 -1.651 23 1HD1 ILE 3 1HD1 ILE 3 4.937 -9.337 -1.898 24 2HD1 ILE 3 2HD1 ILE 3 5.072 -7.836 -2.816 25 3HD1 ILE 3 3HD1 ILE 3 6.329 -9.066 -2.948 26 H LYS 4 H LYS 4 0.169 -9.698 -3.409 27 HA LYS 4 HA LYS 4 -1.390 -8.574 -5.645 28 1HB LYS 4 3HB LYS 4 -2.459 -10.164 -4.043 29 2HB LYS 4 2HB LYS 4 -2.202 -8.989 -2.754 30 1HG LYS 4 2HG LYS 4 -3.434 -7.584 -4.883 31 2HG LYS 4 1HG LYS 4 -4.329 -9.091 -4.692 32 1HD LYS 4 2HD LYS 4 -4.525 -8.641 -2.255 33 2HD LYS 4 1HD LYS 4 -3.698 -7.101 -2.493 34 1HE LYS 4 2HE LYS 4 -5.868 -6.354 -2.666 35 2HE LYS 4 1HE LYS 4 -5.609 -6.814 -4.350 36 1HZ LYS 4 1HZ LYS 4 -6.667 -8.716 -2.346 37 2HZ LYS 4 2HZ LYS 4 -6.720 -8.831 -4.042 38 3HZ LYS 4 3HZ LYS 4 -7.684 -7.689 -3.234 39 H ARG 5 H ARG 5 0.929 -7.188 -4.527 40 HA ARG 5 HA ARG 5 -0.412 -4.689 -3.588 41 1HB ARG 5 3HB ARG 5 1.438 -6.014 -2.173 42 2HB ARG 5 2HB ARG 5 2.522 -5.081 -3.206 43 1HG ARG 5 2HG ARG 5 1.833 -3.050 -2.335 44 2HG ARG 5 1HG ARG 5 0.231 -3.657 -1.912 45 1HD ARG 5 2HD ARG 5 2.617 -4.813 -0.512 46 2HD ARG 5 1HD ARG 5 2.042 -3.218 -0.027 47 HE ARG 5 HE ARG 5 -0.260 -4.741 -0.038 48 1HH1 ARG 5 1HH1 ARG 5 1.158 -3.703 2.455 49 2HH1 ARG 5 2HH1 ARG 5 1.376 -5.171 3.350 50 1HH2 ARG 5 1HH2 ARG 5 0.754 -7.233 0.632 51 2HH2 ARG 5 2HH2 ARG 5 1.147 -7.168 2.318 52 HA PRO 6 HA PRO 6 1.130 -3.524 -7.658 53 1HB PRO 6 3HB PRO 6 -0.472 -1.306 -7.870 54 2HB PRO 6 2HB PRO 6 -1.026 -2.946 -8.256 55 1HG PRO 6 2HG PRO 6 -1.620 -1.275 -5.851 56 2HG PRO 6 1HG PRO 6 -2.605 -2.534 -6.618 57 1HD PRO 6 2HD PRO 6 -1.078 -2.882 -4.285 58 2HD PRO 6 1HD PRO 6 -1.700 -4.174 -5.320 59 H MET 7 H MET 7 1.292 -0.854 -8.245 60 HA MET 7 HA MET 7 3.203 0.165 -6.244 61 1HB MET 7 3HB MET 7 3.173 1.294 -8.953 62 2HB MET 7 2HB MET 7 4.531 0.889 -7.931 63 1HG MET 7 2HG MET 7 4.100 -1.534 -8.395 64 2HG MET 7 1HG MET 7 2.863 -1.042 -9.552 65 1HE MET 7 1HE MET 7 3.604 -1.626 -11.885 66 2HE MET 7 2HE MET 7 4.540 -0.360 -12.674 67 3HE MET 7 3HE MET 7 3.160 0.073 -11.667 68 H ASN 8 H ASN 8 1.318 1.526 -8.914 69 HA ASN 8 HA ASN 8 -0.555 2.933 -7.348 70 1HB ASN 8 3HB ASN 8 1.224 4.052 -6.334 71 2HB ASN 8 2HB ASN 8 2.038 4.271 -7.861 72 1HD2 ASN 8 1HD2 ASN 8 2.090 6.574 -7.961 73 2HD2 ASN 8 2HD2 ASN 8 0.689 7.532 -7.965 74 H ALA 9 H ALA 9 -1.425 4.894 -8.666 75 HA ALA 9 HA ALA 9 -1.969 4.043 -11.356 76 1HB ALA 9 1HB ALA 9 -2.598 6.688 -11.399 77 2HB ALA 9 2HB ALA 9 -2.597 6.391 -9.660 78 3HB ALA 9 3HB ALA 9 -3.657 5.455 -10.714 79 H PHE 10 H PHE 10 0.489 5.893 -9.866 80 HA PHE 10 HA PHE 10 1.442 7.340 -12.131 81 1HB PHE 10 3HB PHE 10 1.943 7.878 -9.812 82 2HB PHE 10 2HB PHE 10 2.849 6.381 -9.655 83 HD1 PHE 10 HD1 PHE 10 3.080 9.815 -10.360 84 HD2 PHE 10 HD2 PHE 10 4.738 6.024 -11.498 85 HE1 PHE 10 HE1 PHE 10 5.085 10.959 -11.237 86 HE2 PHE 10 HE2 PHE 10 6.752 7.168 -12.380 87 HZ PHE 10 HZ PHE 10 6.927 9.637 -12.246 88 H MET 11 H MET 11 2.953 4.557 -10.474 89 HA MET 11 HA MET 11 4.697 3.961 -12.656 90 1HB MET 11 3HB MET 11 3.583 1.980 -10.640 91 2HB MET 11 2HB MET 11 5.080 1.827 -11.559 92 1HG MET 11 2HG MET 11 4.846 4.308 -9.968 93 2HG MET 11 1HG MET 11 4.952 2.824 -9.022 94 1HE MET 11 1HE MET 11 7.836 1.095 -9.579 95 2HE MET 11 2HE MET 11 6.427 1.563 -8.629 96 3HE MET 11 3HE MET 11 7.982 2.336 -8.327 97 H VAL 12 H VAL 12 1.343 3.608 -12.182 98 HA VAL 12 HA VAL 12 0.994 1.409 -14.054 99 HB VAL 12 HB VAL 12 -0.804 3.289 -12.535 100 1HG1 VAL 12 1HG1 VAL 12 -1.622 1.485 -14.818 101 2HG1 VAL 12 2HG1 VAL 12 -1.902 3.219 -14.660 102 3HG1 VAL 12 3HG1 VAL 12 -2.755 2.089 -13.609 103 1HG2 VAL 12 1HG2 VAL 12 -1.674 1.211 -11.601 104 2HG2 VAL 12 2HG2 VAL 12 0.086 1.219 -11.476 105 3HG2 VAL 12 3HG2 VAL 12 -0.703 0.272 -12.733 106 H TRP 13 H TRP 13 0.418 4.879 -13.926 107 HA TRP 13 HA TRP 13 -0.284 4.954 -16.783 108 1HB TRP 13 3HB TRP 13 -1.388 6.643 -15.737 109 2HB TRP 13 2HB TRP 13 -0.188 6.768 -14.462 110 HD1 TRP 13 HD1 TRP 13 -1.411 8.423 -17.491 111 HE1 TRP 13 HE1 TRP 13 0.088 10.401 -18.064 112 HE3 TRP 13 HE3 TRP 13 2.608 7.509 -14.453 113 HZ2 TRP 13 HZ2 TRP 13 2.645 11.468 -17.429 114 HZ3 TRP 13 HZ3 TRP 13 4.560 9.016 -14.475 115 HH2 TRP 13 HH2 TRP 13 4.581 11.004 -15.949 116 H ALA 14 H ALA 14 2.468 5.697 -14.767 117 HA ALA 14 HA ALA 14 4.091 6.863 -16.836 118 1HB ALA 14 1HB ALA 14 5.491 7.318 -15.133 119 2HB ALA 14 2HB ALA 14 5.506 5.641 -14.586 120 3HB ALA 14 3HB ALA 14 4.203 6.717 -14.093 121 H LYS 15 H LYS 15 3.413 3.554 -15.905 122 HA LYS 15 HA LYS 15 5.831 2.456 -16.971 123 1HB LYS 15 3HB LYS 15 4.562 0.300 -17.059 124 2HB LYS 15 2HB LYS 15 4.459 1.089 -15.486 125 1HG LYS 15 2HG LYS 15 2.238 1.559 -15.713 126 2HG LYS 15 1HG LYS 15 2.360 1.823 -17.454 127 1HD LYS 15 2HD LYS 15 2.978 -0.915 -16.953 128 2HD LYS 15 1HD LYS 15 1.495 -0.536 -16.076 129 1HE LYS 15 2HE LYS 15 1.922 0.214 -18.977 130 2HE LYS 15 1HE LYS 15 1.169 -1.301 -18.481 131 1HZ LYS 15 1HZ LYS 15 -0.125 1.046 -18.840 132 2HZ LYS 15 2HZ LYS 15 0.086 1.005 -17.154 133 3HZ LYS 15 3HZ LYS 15 -0.715 -0.268 -17.944 134 H ASP 16 H ASP 16 2.810 3.499 -18.297 135 HA ASP 16 HA ASP 16 3.539 2.473 -20.968 136 1HB ASP 16 3HB ASP 16 1.075 2.949 -19.665 137 2HB ASP 16 2HB ASP 16 1.196 4.178 -20.925 138 H GLU 17 H GLU 17 3.186 5.389 -19.092 139 HA GLU 17 HA GLU 17 3.656 7.275 -21.202 140 1HB GLU 17 3HB GLU 17 3.269 7.259 -18.364 141 2HB GLU 17 2HB GLU 17 4.679 8.246 -18.730 142 1HG GLU 17 2HG GLU 17 2.630 8.776 -20.659 143 2HG GLU 17 1HG GLU 17 1.940 8.898 -19.045 144 H ARG 18 H ARG 18 5.711 5.441 -19.007 145 HA ARG 18 HA ARG 18 8.175 6.708 -19.924 146 1HB ARG 18 3HB ARG 18 9.327 5.054 -18.572 147 2HB ARG 18 2HB ARG 18 7.953 5.648 -17.650 148 1HG ARG 18 2HG ARG 18 7.482 3.449 -17.353 149 2HG ARG 18 1HG ARG 18 6.827 3.541 -18.983 150 1HD ARG 18 2HD ARG 18 8.800 2.650 -19.952 151 2HD ARG 18 1HD ARG 18 9.747 2.961 -18.496 152 HE ARG 18 HE ARG 18 7.865 1.195 -17.586 153 1HH1 ARG 18 1HH2 ARG 18 10.697 1.108 -19.377 154 2HH1 ARG 18 2HH2 ARG 18 10.525 -0.534 -19.900 155 1HH2 ARG 18 1HH1 ARG 18 7.303 -0.868 -18.661 156 2HH2 ARG 18 2HH1 ARG 18 8.603 -1.653 -19.494 157 H ARG 19 H ARG 19 6.260 3.858 -20.648 158 HA ARG 19 HA ARG 19 8.150 2.690 -22.476 159 1HB ARG 19 3HB ARG 19 5.337 2.293 -21.680 160 2HB ARG 19 2HB ARG 19 5.662 1.922 -23.370 161 1HG ARG 19 2HG ARG 19 7.780 0.893 -21.696 162 2HG ARG 19 1HG ARG 19 6.216 0.298 -21.143 163 1HD ARG 19 2HD ARG 19 6.436 -1.250 -22.794 164 2HD ARG 19 1HD ARG 19 5.993 0.066 -23.881 165 HE ARG 19 HE ARG 19 8.860 -0.115 -23.256 166 1HH1 ARG 19 1HH1 ARG 19 8.239 -2.649 -24.636 167 2HH1 ARG 19 2HH1 ARG 19 8.365 -2.220 -26.309 168 1HH2 ARG 19 1HH2 ARG 19 8.160 1.191 -25.724 169 2HH2 ARG 19 2HH2 ARG 19 8.320 -0.046 -26.925 170 H LYS 20 H LYS 20 5.516 5.003 -22.619 171 HA LYS 20 HA LYS 20 5.608 5.365 -25.468 172 1HB LYS 20 3HB LYS 20 3.790 6.036 -23.596 173 2HB LYS 20 2HB LYS 20 4.618 7.581 -23.769 174 1HG LYS 20 2HG LYS 20 3.819 7.919 -25.872 175 2HG LYS 20 1HG LYS 20 3.992 6.220 -26.315 176 1HD LYS 20 2HD LYS 20 1.827 5.807 -25.863 177 2HD LYS 20 1HD LYS 20 1.962 6.553 -24.270 178 1HE LYS 20 2HE LYS 20 1.694 8.145 -26.833 179 2HE LYS 20 1HE LYS 20 0.319 7.691 -25.825 180 1HZ LYS 20 1HZ LYS 20 1.685 9.942 -25.502 181 2HZ LYS 20 2HZ LYS 20 2.558 8.933 -24.451 182 3HZ LYS 20 3HZ LYS 20 0.888 9.152 -24.231 183 H ILE 21 H ILE 21 7.452 6.578 -22.833 184 HA ILE 21 HA ILE 21 8.536 8.764 -24.508 185 HB ILE 21 HB ILE 21 8.072 8.418 -21.701 186 1HG1 ILE 21 2HG1 ILE 21 9.318 10.871 -22.051 187 2HG1 ILE 21 1HG1 ILE 21 8.648 10.521 -23.646 188 1HG2 ILE 21 1HG2 ILE 21 10.960 9.085 -22.331 189 2HG2 ILE 21 2HG2 ILE 21 10.412 7.555 -21.646 190 3HG2 ILE 21 3HG2 ILE 21 10.204 9.050 -20.737 191 1HD1 ILE 21 1HD1 ILE 21 7.170 10.620 -21.008 192 2HD1 ILE 21 2HD1 ILE 21 6.466 9.945 -22.477 193 3HD1 ILE 21 3HD1 ILE 21 6.921 11.648 -22.418 194 H LEU 22 H LEU 22 9.530 5.886 -22.770 195 HA LEU 22 HA LEU 22 12.275 5.820 -23.306 196 1HB LEU 22 3HB LEU 22 10.732 4.210 -22.031 197 2HB LEU 22 2HB LEU 22 10.472 3.433 -23.584 198 HG LEU 22 HG LEU 22 13.048 3.428 -23.765 199 1HD1 LEU 22 1HD1 LEU 22 12.969 4.912 -21.546 200 2HD1 LEU 22 2HD1 LEU 22 14.294 3.790 -21.861 201 3HD1 LEU 22 3HD1 LEU 22 12.976 3.320 -20.785 202 1HD2 LEU 22 1HD2 LEU 22 13.022 1.358 -22.185 203 2HD2 LEU 22 2HD2 LEU 22 11.961 1.367 -23.596 204 3HD2 LEU 22 3HD2 LEU 22 11.310 1.737 -21.999 205 H GLN 23 H GLN 23 9.545 5.243 -25.348 206 HA GLN 23 HA GLN 23 10.866 3.946 -27.517 207 1HB GLN 23 3HB GLN 23 8.944 4.599 -28.828 208 2HB GLN 23 2HB GLN 23 8.381 4.126 -27.229 209 1HG GLN 23 2HG GLN 23 8.524 6.526 -26.568 210 2HG GLN 23 1HG GLN 23 8.849 6.914 -28.251 211 1HE2 GLN 23 1HE2 GLN 23 6.779 8.107 -28.412 212 2HE2 GLN 23 2HE2 GLN 23 5.305 7.269 -28.496 213 H ALA 24 H ALA 24 10.244 7.176 -26.593 214 HA ALA 24 HA ALA 24 11.596 8.382 -28.868 215 1HB ALA 24 1HB ALA 24 10.592 9.615 -26.291 216 2HB ALA 24 2HB ALA 24 9.666 9.495 -27.787 217 3HB ALA 24 3HB ALA 24 11.109 10.506 -27.722 218 H PHE 25 H PHE 25 12.479 7.029 -25.897 219 HA PHE 25 HA PHE 25 15.233 7.931 -26.224 220 1HB PHE 25 3HB PHE 25 13.908 8.319 -23.534 221 2HB PHE 25 2HB PHE 25 15.482 8.907 -24.067 222 HD1 PHE 25 HD1 PHE 25 11.974 9.645 -23.807 223 HD2 PHE 25 HD2 PHE 25 15.547 10.608 -25.986 224 HE1 PHE 25 HE1 PHE 25 10.931 11.757 -24.584 225 HE2 PHE 25 HE2 PHE 25 14.504 12.720 -26.764 226 HZ PHE 25 HZ PHE 25 12.197 13.293 -26.062 227 HA PRO 26 HA PRO 26 14.553 3.562 -24.850 228 1HB PRO 26 3HB PRO 26 16.212 2.526 -26.789 229 2HB PRO 26 2HB PRO 26 14.469 2.759 -26.996 230 1HG PRO 26 2HG PRO 26 16.730 4.424 -28.052 231 2HG PRO 26 1HG PRO 26 15.141 4.103 -28.771 232 1HD PRO 26 2HD PRO 26 15.786 6.471 -27.454 233 2HD PRO 26 1HD PRO 26 14.137 5.860 -27.649 234 H ASP 27 H ASP 27 17.039 5.825 -25.007 235 HA ASP 27 HA ASP 27 19.022 4.022 -23.726 236 1HB ASP 27 3HB ASP 27 19.212 6.331 -25.411 237 2HB ASP 27 2HB ASP 27 20.018 6.648 -23.880 238 H MET 28 H MET 28 16.944 6.769 -23.263 239 HA MET 28 HA MET 28 17.806 7.572 -20.669 240 1HB MET 28 3HB MET 28 16.124 8.707 -22.333 241 2HB MET 28 2HB MET 28 14.954 7.708 -21.480 242 1HG MET 28 2HG MET 28 15.454 8.694 -19.386 243 2HG MET 28 1HG MET 28 16.918 9.450 -20.013 244 1HE MET 28 1HE MET 28 16.047 12.130 -22.221 245 2HE MET 28 2HE MET 28 15.389 10.726 -23.055 246 3HE MET 28 3HE MET 28 16.877 10.571 -22.125 247 H HIS 29 H HIS 29 18.164 5.655 -19.543 248 HA HIS 29 HA HIS 29 16.088 3.661 -19.339 249 1HB HIS 29 3HB HIS 29 17.596 2.469 -17.941 250 2HB HIS 29 2HB HIS 29 18.560 3.241 -19.198 251 HD1 HIS 29 HD1 HIS 29 19.287 2.491 -16.041 252 HD2 HIS 29 HD2 HIS 29 18.775 6.243 -17.781 253 HE1 HIS 29 HE1 HIS 29 20.550 4.131 -14.587 254 H ASN 30 H ASN 30 15.581 2.875 -16.981 255 HA ASN 30 HA ASN 30 13.650 4.412 -15.835 256 1HB ASN 30 3HB ASN 30 14.830 2.054 -15.166 257 2HB ASN 30 2HB ASN 30 15.321 3.068 -13.808 258 1HD2 ASN 30 1HD2 ASN 30 12.315 2.572 -15.761 259 2HD2 ASN 30 2HD2 ASN 30 11.277 2.557 -14.418 260 H SER 31 H SER 31 16.864 4.305 -14.258 261 HA SER 31 HA SER 31 16.627 6.258 -12.395 262 1HB SER 31 3HB SER 31 18.872 6.177 -12.288 263 2HB SER 31 2HB SER 31 18.771 5.041 -13.624 264 HG SER 31 HG SER 31 19.864 7.451 -13.595 265 H ASN 32 H ASN 32 16.670 6.880 -15.865 266 HA ASN 32 HA ASN 32 16.614 9.793 -15.293 267 1HB ASN 32 3HB ASN 32 17.610 8.187 -17.452 268 2HB ASN 32 2HB ASN 32 16.508 9.422 -18.044 269 1HD2 ASN 32 1HD2 ASN 32 19.296 9.093 -15.779 270 2HD2 ASN 32 2HD2 ASN 32 19.939 10.626 -16.122 271 H ILE 33 H ILE 33 14.787 7.359 -17.154 272 HA ILE 33 HA ILE 33 12.656 8.990 -17.996 273 HB ILE 33 HB ILE 33 12.631 6.100 -17.097 274 1HG1 ILE 33 2HG1 ILE 33 14.068 6.832 -19.063 275 2HG1 ILE 33 1HG1 ILE 33 12.860 5.600 -19.432 276 1HG2 ILE 33 1HG2 ILE 33 10.574 6.685 -18.985 277 2HG2 ILE 33 2HG2 ILE 33 10.431 7.847 -17.666 278 3HG2 ILE 33 3HG2 ILE 33 10.392 6.116 -17.326 279 1HD1 ILE 33 1HD1 ILE 33 11.590 8.123 -19.744 280 2HD1 ILE 33 2HD1 ILE 33 11.997 6.954 -20.998 281 3HD1 ILE 33 3HD1 ILE 33 13.143 8.223 -20.570 282 H SER 34 H SER 34 13.396 7.730 -14.833 283 HA SER 34 HA SER 34 10.911 7.959 -13.529 284 1HB SER 34 3HB SER 34 13.746 8.040 -12.761 285 2HB SER 34 2HB SER 34 12.679 8.906 -11.660 286 HG SER 34 HG SER 34 12.968 6.590 -11.253 287 H LYS 35 H LYS 35 13.404 10.475 -14.013 288 HA LYS 35 HA LYS 35 11.879 12.548 -12.771 289 1HB LYS 35 3HB LYS 35 14.090 12.713 -14.841 290 2HB LYS 35 2HB LYS 35 13.478 14.079 -13.909 291 1HG LYS 35 2HG LYS 35 14.019 12.578 -11.835 292 2HG LYS 35 1HG LYS 35 15.059 11.702 -12.960 293 1HD LYS 35 2HD LYS 35 16.636 13.285 -12.724 294 2HD LYS 35 1HD LYS 35 15.514 14.485 -13.369 295 1HE LYS 35 2HE LYS 35 15.180 13.652 -10.518 296 2HE LYS 35 1HE LYS 35 16.525 14.722 -10.914 297 1HZ LYS 35 1HZ LYS 35 13.677 15.240 -10.941 298 2HZ LYS 35 2HZ LYS 35 14.527 15.856 -12.276 299 3HZ LYS 35 3HZ LYS 35 14.973 16.308 -10.701 300 H ILE 36 H ILE 36 11.932 11.067 -15.881 301 HA ILE 36 HA ILE 36 10.542 13.138 -17.286 302 HB ILE 36 HB ILE 36 11.159 10.288 -17.801 303 1HG1 ILE 36 2HG1 ILE 36 11.999 11.479 -19.969 304 2HG1 ILE 36 1HG1 ILE 36 11.796 12.956 -19.024 305 1HG2 ILE 36 1HG2 ILE 36 9.174 10.065 -18.902 306 2HG2 ILE 36 2HG2 ILE 36 9.960 11.044 -20.140 307 3HG2 ILE 36 3HG2 ILE 36 8.907 11.807 -18.950 308 1HD1 ILE 36 1HD1 ILE 36 13.622 10.618 -18.473 309 2HD1 ILE 36 2HD1 ILE 36 13.177 11.755 -17.202 310 3HD1 ILE 36 3HD1 ILE 36 14.043 12.323 -18.629 311 H LEU 37 H LEU 37 9.526 10.006 -16.001 312 HA LEU 37 HA LEU 37 6.724 10.311 -16.386 313 1HB LEU 37 3HB LEU 37 8.346 8.793 -14.347 314 2HB LEU 37 2HB LEU 37 6.598 8.684 -14.471 315 HG LEU 37 HG LEU 37 8.591 8.010 -16.643 316 1HD1 LEU 37 1HD1 LEU 37 7.420 6.548 -14.464 317 2HD1 LEU 37 2HD1 LEU 37 8.588 5.995 -15.663 318 3HD1 LEU 37 3HD1 LEU 37 6.860 5.873 -15.995 319 1HD2 LEU 37 1HD2 LEU 37 5.789 8.729 -16.765 320 2HD2 LEU 37 2HD2 LEU 37 5.998 7.047 -17.252 321 3HD2 LEU 37 3HD2 LEU 37 6.881 8.323 -18.089 322 H GLY 38 H GLY 38 8.642 10.666 -13.419 323 1HA GLY 38 2HA GLY 38 6.622 11.729 -11.766 324 2HA GLY 38 1HA GLY 38 8.341 12.039 -11.537 325 H SER 39 H SER 39 8.149 13.131 -14.466 326 HA SER 39 HA SER 39 7.352 15.839 -13.597 327 1HB SER 39 3HB SER 39 9.696 15.505 -14.461 328 2HB SER 39 2HB SER 39 9.001 15.042 -16.011 329 HG SER 39 HG SER 39 7.811 17.204 -15.608 330 H ARG 40 H ARG 40 6.511 13.177 -15.518 331 HA ARG 40 HA ARG 40 4.852 14.743 -17.363 332 1HB ARG 40 3HB ARG 40 5.731 11.935 -17.038 333 2HB ARG 40 2HB ARG 40 4.266 12.235 -17.943 334 1HG ARG 40 2HG ARG 40 6.170 14.152 -18.798 335 2HG ARG 40 1HG ARG 40 6.996 12.593 -18.771 336 1HD ARG 40 2HD ARG 40 5.528 11.644 -20.308 337 2HD ARG 40 1HD ARG 40 4.263 12.829 -19.989 338 HE ARG 40 HE ARG 40 6.771 13.783 -21.262 339 1HH1 ARG 40 1HH1 ARG 40 3.860 12.278 -22.053 340 2HH1 ARG 40 2HH1 ARG 40 3.372 13.456 -23.224 341 1HH2 ARG 40 1HH2 ARG 40 5.957 15.644 -22.490 342 2HH2 ARG 40 2HH2 ARG 40 4.558 15.361 -23.471 343 H TRP 41 H TRP 41 4.791 12.731 -14.564 344 HA TRP 41 HA TRP 41 1.975 12.368 -14.252 345 1HB TRP 41 3HB TRP 41 3.871 11.128 -13.121 346 2HB TRP 41 2HB TRP 41 4.086 12.546 -12.111 347 HD1 TRP 41 HD1 TRP 41 2.681 12.571 -9.986 348 HE1 TRP 41 HE1 TRP 41 0.561 11.314 -9.145 349 HE3 TRP 41 HE3 TRP 41 1.473 10.071 -14.198 350 HZ2 TRP 41 HZ2 TRP 41 -1.392 9.464 -10.207 351 HZ3 TRP 41 HZ3 TRP 41 -0.500 8.589 -14.275 352 HH2 TRP 41 HH2 TRP 41 -1.928 8.303 -12.350 353 H LYS 42 H LYS 42 4.250 14.521 -12.527 354 HA LYS 42 HA LYS 42 2.215 15.977 -11.176 355 1HB LYS 42 3HB LYS 42 5.001 16.013 -11.208 356 2HB LYS 42 2HB LYS 42 4.561 17.589 -11.873 357 1HG LYS 42 2HG LYS 42 3.032 17.948 -9.952 358 2HG LYS 42 1HG LYS 42 3.551 16.404 -9.280 359 1HD LYS 42 2HD LYS 42 5.962 17.606 -9.730 360 2HD LYS 42 1HD LYS 42 4.958 19.003 -9.334 361 1HE LYS 42 2HE LYS 42 4.204 17.066 -7.469 362 2HE LYS 42 1HE LYS 42 5.955 16.898 -7.584 363 1HZ LYS 42 1HZ LYS 42 6.292 18.913 -6.689 364 2HZ LYS 42 2HZ LYS 42 4.720 18.723 -6.074 365 3HZ LYS 42 3HZ LYS 42 4.978 19.622 -7.492 366 H ALA 43 H ALA 43 3.486 16.013 -14.351 367 HA ALA 43 HA ALA 43 2.391 18.585 -15.076 368 1HB ALA 43 1HB ALA 43 3.849 16.383 -16.489 369 2HB ALA 43 2HB ALA 43 4.304 18.079 -16.314 370 3HB ALA 43 3HB ALA 43 3.020 17.620 -17.435 371 H MET 44 H MET 44 0.960 15.740 -14.371 372 HA MET 44 HA MET 44 -0.893 15.607 -16.633 373 1HB MET 44 3HB MET 44 -1.701 13.627 -15.647 374 2HB MET 44 2HB MET 44 0.019 13.605 -15.287 375 1HG MET 44 2HG MET 44 -0.489 13.444 -13.103 376 2HG MET 44 1HG MET 44 -1.212 15.049 -13.185 377 1HE MET 44 1HE MET 44 -2.733 10.964 -13.773 378 2HE MET 44 2HE MET 44 -1.591 11.862 -14.771 379 3HE MET 44 3HE MET 44 -3.300 11.846 -15.197 380 H THR 45 H THR 45 -3.267 15.009 -15.311 381 HA THR 45 HA THR 45 -3.835 17.536 -13.842 382 HB THR 45 HB THR 45 -6.173 17.201 -15.038 383 HG1 THR 45 HG1 THR 45 -5.558 16.483 -17.262 384 1HG2 THR 45 1HG2 THR 45 -5.422 19.188 -15.789 385 2HG2 THR 45 2HG2 THR 45 -4.655 18.322 -17.121 386 3HG2 THR 45 3HG2 THR 45 -3.745 18.662 -15.649 387 H ASN 46 H ASN 46 -3.860 16.523 -11.882 388 HA ASN 46 HA ASN 46 -4.475 14.268 -10.742 389 1HB ASN 46 3HB ASN 46 -4.499 16.485 -9.581 390 2HB ASN 46 2HB ASN 46 -6.202 16.632 -10.014 391 1HD2 ASN 46 1HD2 ASN 46 -5.901 16.630 -7.352 392 2HD2 ASN 46 2HD2 ASN 46 -6.235 15.118 -6.656 393 H LEU 47 H LEU 47 -7.190 16.075 -12.226 394 HA LEU 47 HA LEU 47 -9.218 14.178 -11.604 395 1HB LEU 47 3HB LEU 47 -9.114 16.571 -13.001 396 2HB LEU 47 2HB LEU 47 -9.524 15.396 -14.251 397 HG LEU 47 HG LEU 47 -11.591 16.183 -13.276 398 1HD1 LEU 47 1HD1 LEU 47 -12.561 14.119 -12.917 399 2HD1 LEU 47 2HD1 LEU 47 -11.275 13.586 -11.833 400 3HD1 LEU 47 3HD1 LEU 47 -11.013 13.591 -13.578 401 1HD2 LEU 47 1HD2 LEU 47 -9.996 16.112 -10.847 402 2HD2 LEU 47 2HD2 LEU 47 -11.535 15.279 -10.618 403 3HD2 LEU 47 3HD2 LEU 47 -11.513 16.958 -11.159 404 H GLU 48 H GLU 48 -6.796 14.218 -14.150 405 HA GLU 48 HA GLU 48 -7.958 11.983 -15.616 406 1HB GLU 48 3HB GLU 48 -5.698 13.810 -15.906 407 2HB GLU 48 2HB GLU 48 -5.278 12.150 -16.336 408 1HG GLU 48 2HG GLU 48 -6.938 12.035 -18.011 409 2HG GLU 48 1HG GLU 48 -7.811 13.425 -17.362 410 H LYS 49 H LYS 49 -6.443 12.195 -12.672 411 HA LYS 49 HA LYS 49 -4.782 9.781 -12.878 412 1HB LYS 49 3HB LYS 49 -5.042 11.983 -11.085 413 2HB LYS 49 2HB LYS 49 -5.340 10.511 -10.163 414 1HG LYS 49 2HG LYS 49 -3.194 9.800 -10.369 415 2HG LYS 49 1HG LYS 49 -3.070 10.350 -12.041 416 1HD LYS 49 2HD LYS 49 -1.674 11.903 -11.077 417 2HD LYS 49 1HD LYS 49 -3.203 12.746 -10.837 418 1HE LYS 49 2HE LYS 49 -2.954 10.953 -8.668 419 2HE LYS 49 1HE LYS 49 -1.378 11.725 -8.849 420 1HZ LYS 49 1HZ LYS 49 -3.693 12.809 -7.747 421 2HZ LYS 49 2HZ LYS 49 -3.397 13.650 -9.193 422 3HZ LYS 49 3HZ LYS 49 -2.200 13.576 -7.990 423 H GLN 50 H GLN 50 -8.068 10.535 -12.152 424 HA GLN 50 HA GLN 50 -8.784 8.503 -10.347 425 1HB GLN 50 3HB GLN 50 -10.544 9.319 -12.650 426 2HB GLN 50 2HB GLN 50 -11.012 8.878 -11.010 427 1HG GLN 50 2HG GLN 50 -9.191 11.039 -10.790 428 2HG GLN 50 1HG GLN 50 -10.357 11.473 -12.038 429 1HE2 GLN 50 1HE2 GLN 50 -12.724 11.270 -11.399 430 2HE2 GLN 50 2HE2 GLN 50 -13.143 11.508 -9.772 431 HA PRO 51 HA PRO 51 -9.545 5.604 -14.084 432 1HB PRO 51 3HB PRO 51 -8.195 6.186 -16.396 433 2HB PRO 51 2HB PRO 51 -9.843 6.705 -16.036 434 1HG PRO 51 2HG PRO 51 -7.329 8.307 -16.000 435 2HG PRO 51 1HG PRO 51 -8.991 8.835 -16.321 436 1HD PRO 51 2HD PRO 51 -7.607 9.191 -13.907 437 2HD PRO 51 1HD PRO 51 -9.364 9.338 -14.111 438 H TYR 52 H TYR 52 -6.258 7.050 -14.115 439 HA TYR 52 HA TYR 52 -4.970 4.484 -14.540 440 1HB TYR 52 3HB TYR 52 -3.671 6.759 -13.046 441 2HB TYR 52 2HB TYR 52 -2.930 5.592 -14.143 442 HD1 TYR 52 HD1 TYR 52 -2.749 8.673 -14.265 443 HD2 TYR 52 HD2 TYR 52 -5.307 5.811 -16.181 444 HE1 TYR 52 HE1 TYR 52 -3.084 10.235 -16.149 445 HE2 TYR 52 HE2 TYR 52 -5.647 7.365 -18.065 446 HH TYR 52 HH TYR 52 -4.501 10.673 -17.952 447 H TYR 53 H TYR 53 -6.645 5.904 -11.979 448 HA TYR 53 HA TYR 53 -5.160 4.546 -9.857 449 1HB TYR 53 3HB TYR 53 -7.239 6.559 -10.058 450 2HB TYR 53 2HB TYR 53 -7.657 5.333 -8.868 451 HD1 TYR 53 HD1 TYR 53 -5.805 8.311 -9.425 452 HD2 TYR 53 HD2 TYR 53 -5.690 4.607 -7.249 453 HE1 TYR 53 HE1 TYR 53 -4.171 9.289 -7.842 454 HE2 TYR 53 HE2 TYR 53 -4.059 5.588 -5.666 455 HH TYR 53 HH TYR 53 -2.426 7.389 -5.592 456 H GLU 54 H GLU 54 -8.531 4.308 -11.031 457 HA GLU 54 HA GLU 54 -9.046 1.796 -9.794 458 1HB GLU 54 3HB GLU 54 -10.904 1.629 -11.436 459 2HB GLU 54 2HB GLU 54 -10.850 3.218 -10.678 460 1HG GLU 54 2HG GLU 54 -9.324 3.839 -12.718 461 2HG GLU 54 1HG GLU 54 -10.069 2.428 -13.469 462 H GLU 55 H GLU 55 -7.386 2.707 -12.725 463 HA GLU 55 HA GLU 55 -7.411 0.164 -14.026 464 1HB GLU 55 3HB GLU 55 -5.754 2.612 -14.182 465 2HB GLU 55 2HB GLU 55 -5.132 1.154 -14.940 466 1HG GLU 55 2HG GLU 55 -7.683 1.091 -15.837 467 2HG GLU 55 1HG GLU 55 -7.465 2.835 -15.684 468 H GLN 56 H GLN 56 -5.801 1.363 -11.238 469 HA GLN 56 HA GLN 56 -3.590 -0.536 -11.302 470 1HB GLN 56 3HB GLN 56 -2.884 0.494 -9.378 471 2HB GLN 56 2HB GLN 56 -3.912 1.777 -9.976 472 1HG GLN 56 2HG GLN 56 -5.701 1.095 -8.486 473 2HG GLN 56 1HG GLN 56 -4.820 -0.355 -8.017 474 1HE2 GLN 56 1HE2 GLN 56 -2.890 2.515 -8.441 475 2HE2 GLN 56 2HE2 GLN 56 -2.673 2.853 -6.792 476 H ALA 57 H ALA 57 -6.563 -0.182 -9.464 477 HA ALA 57 HA ALA 57 -6.540 -2.561 -7.996 478 1HB ALA 57 1HB ALA 57 -8.916 -1.217 -9.320 479 2HB ALA 57 2HB ALA 57 -8.284 -0.854 -7.713 480 3HB ALA 57 3HB ALA 57 -9.024 -2.423 -8.038 481 H ARG 58 H ARG 58 -7.184 -2.042 -11.403 482 HA ARG 58 HA ARG 58 -8.300 -4.658 -11.925 483 1HB ARG 58 3HB ARG 58 -6.961 -2.612 -13.717 484 2HB ARG 58 2HB ARG 58 -7.679 -4.107 -14.319 485 1HG ARG 58 2HG ARG 58 -9.785 -3.308 -12.957 486 2HG ARG 58 1HG ARG 58 -9.028 -1.721 -13.092 487 1HD ARG 58 2HD ARG 58 -9.528 -1.549 -15.292 488 2HD ARG 58 1HD ARG 58 -9.029 -3.208 -15.619 489 HE ARG 58 HE ARG 58 -11.733 -2.349 -15.296 490 1HH1 ARG 58 1HH2 ARG 58 -11.604 -3.819 -12.762 491 2HH1 ARG 58 2HH2 ARG 58 -11.913 -5.456 -13.234 492 1HH2 ARG 58 1HH1 ARG 58 -11.247 -4.892 -16.592 493 2HH2 ARG 58 2HH1 ARG 58 -11.711 -6.065 -15.405 494 H LEU 59 H LEU 59 -5.065 -3.257 -12.043 495 HA LEU 59 HA LEU 59 -3.662 -5.443 -13.159 496 1HB LEU 59 3HB LEU 59 -2.525 -3.782 -10.914 497 2HB LEU 59 2HB LEU 59 -1.709 -4.419 -12.338 498 HG LEU 59 HG LEU 59 -3.674 -2.127 -12.204 499 1HD1 LEU 59 1HD1 LEU 59 -0.766 -2.507 -12.758 500 2HD1 LEU 59 2HD1 LEU 59 -1.587 -1.185 -11.930 501 3HD1 LEU 59 3HD1 LEU 59 -1.611 -1.272 -13.692 502 1HD2 LEU 59 1HD2 LEU 59 -3.517 -2.077 -14.689 503 2HD2 LEU 59 2HD2 LEU 59 -4.296 -3.549 -14.108 504 3HD2 LEU 59 3HD2 LEU 59 -2.617 -3.594 -14.645 505 H SER 60 H SER 60 -5.081 -5.011 -10.005 506 HA SER 60 HA SER 60 -3.600 -7.198 -8.749 507 1HB SER 60 3HB SER 60 -5.011 -6.842 -6.867 508 2HB SER 60 2HB SER 60 -4.812 -5.235 -7.562 509 HG SER 60 HG SER 60 -6.867 -5.213 -7.978 510 H LYS 61 H LYS 61 -6.588 -6.710 -10.491 511 HA LYS 61 HA LYS 61 -7.754 -9.286 -10.061 512 1HB LYS 61 3HB LYS 61 -8.423 -6.918 -11.381 513 2HB LYS 61 2HB LYS 61 -8.278 -8.105 -12.679 514 1HG LYS 61 2HG LYS 61 -10.023 -8.296 -10.210 515 2HG LYS 61 1HG LYS 61 -10.556 -8.183 -11.890 516 1HD LYS 61 2HD LYS 61 -8.852 -10.348 -11.946 517 2HD LYS 61 1HD LYS 61 -9.640 -10.520 -10.377 518 1HE LYS 61 2HE LYS 61 -11.385 -9.822 -12.689 519 2HE LYS 61 1HE LYS 61 -10.745 -11.465 -12.642 520 1HZ LYS 61 1HZ LYS 61 -12.200 -10.134 -10.421 521 2HZ LYS 61 2HZ LYS 61 -11.630 -11.734 -10.429 522 3HZ LYS 61 3HZ LYS 61 -12.875 -11.267 -11.487 523 H GLN 62 H GLN 62 -5.870 -7.965 -12.782 524 HA GLN 62 HA GLN 62 -5.554 -10.550 -14.061 525 1HB GLN 62 3HB GLN 62 -3.846 -9.324 -15.453 526 2HB GLN 62 2HB GLN 62 -5.433 -8.553 -15.430 527 1HG GLN 62 2HG GLN 62 -4.720 -6.812 -14.056 528 2HG GLN 62 1HG GLN 62 -3.394 -7.756 -13.376 529 1HE2 GLN 62 1HE2 GLN 62 -3.862 -7.820 -16.853 530 2HE2 GLN 62 2HE2 GLN 62 -2.528 -6.845 -17.243 531 H HIS 63 H HIS 63 -4.088 -9.037 -11.391 532 HA HIS 63 HA HIS 63 -1.415 -10.059 -11.602 533 1HB HIS 63 3HB HIS 63 -1.842 -8.380 -9.937 534 2HB HIS 63 2HB HIS 63 -3.144 -9.325 -9.228 535 HD1 HIS 63 HD1 HIS 63 0.299 -10.602 -10.189 536 HD2 HIS 63 HD2 HIS 63 -2.001 -9.970 -6.775 537 HE1 HIS 63 HE1 HIS 63 1.578 -11.639 -8.264 538 H LEU 64 H LEU 64 -3.975 -11.203 -9.428 539 HA LEU 64 HA LEU 64 -2.812 -13.718 -8.891 540 1HB LEU 64 3HB LEU 64 -5.522 -12.538 -8.630 541 2HB LEU 64 2HB LEU 64 -5.440 -14.300 -8.625 542 HG LEU 64 HG LEU 64 -3.355 -13.056 -6.983 543 1HD1 LEU 64 1HD1 LEU 64 -6.246 -12.377 -6.573 544 2HD1 LEU 64 2HD1 LEU 64 -4.813 -11.387 -6.290 545 3HD1 LEU 64 3HD1 LEU 64 -5.235 -12.671 -5.157 546 1HD2 LEU 64 1HD2 LEU 64 -4.602 -14.683 -5.320 547 2HD2 LEU 64 2HD2 LEU 64 -3.651 -15.350 -6.647 548 3HD2 LEU 64 3HD2 LEU 64 -5.406 -15.246 -6.785 549 H GLU 65 H GLU 65 -4.746 -12.676 -11.641 550 HA GLU 65 HA GLU 65 -5.507 -15.184 -12.658 551 1HB GLU 65 3HB GLU 65 -5.940 -14.066 -14.635 552 2HB GLU 65 2HB GLU 65 -5.840 -12.699 -13.534 553 1HG GLU 65 2HG GLU 65 -4.357 -11.889 -15.052 554 2HG GLU 65 1HG GLU 65 -3.222 -12.973 -14.254 555 H LYS 66 H LYS 66 -2.468 -13.610 -12.460 556 HA LYS 66 HA LYS 66 -1.101 -15.612 -14.160 557 1HB LYS 66 3HB LYS 66 -0.240 -13.069 -12.774 558 2HB LYS 66 2HB LYS 66 0.927 -14.177 -13.488 559 1HG LYS 66 2HG LYS 66 -0.849 -13.955 -15.535 560 2HG LYS 66 1HG LYS 66 -0.995 -12.355 -14.806 561 1HD LYS 66 2HD LYS 66 1.731 -12.753 -14.791 562 2HD LYS 66 1HD LYS 66 1.249 -13.528 -16.300 563 1HE LYS 66 2HE LYS 66 -0.189 -11.056 -16.023 564 2HE LYS 66 1HE LYS 66 1.531 -10.747 -15.792 565 1HZ LYS 66 1HZ LYS 66 0.296 -12.168 -18.088 566 2HZ LYS 66 2HZ LYS 66 1.965 -11.965 -17.853 567 3HZ LYS 66 3HZ LYS 66 0.970 -10.612 -18.116 568 H TYR 67 H TYR 67 -1.246 -14.486 -10.809 569 HA TYR 67 HA TYR 67 0.161 -16.998 -9.997 570 1HB TYR 67 3HB TYR 67 0.219 -14.317 -8.575 571 2HB TYR 67 2HB TYR 67 1.104 -15.769 -8.106 572 HD1 TYR 67 HD1 TYR 67 1.382 -12.721 -9.813 573 HD2 TYR 67 HD2 TYR 67 2.523 -16.853 -10.122 574 HE1 TYR 67 HE1 TYR 67 3.233 -12.098 -11.343 575 HE2 TYR 67 HE2 TYR 67 4.371 -16.227 -11.650 576 HH TYR 67 HH TYR 67 5.224 -12.881 -12.232 577 HA PRO 68 HA PRO 68 -4.079 -16.958 -8.200 578 1HB PRO 68 3HB PRO 68 -4.636 -19.541 -8.927 579 2HB PRO 68 2HB PRO 68 -4.944 -18.147 -9.968 580 1HG PRO 68 2HG PRO 68 -2.776 -20.186 -10.164 581 2HG PRO 68 1HG PRO 68 -3.527 -19.221 -11.446 582 1HD PRO 68 2HD PRO 68 -1.014 -18.711 -10.264 583 2HD PRO 68 1HD PRO 68 -1.943 -17.570 -11.259 584 H ASP 69 H ASP 69 -2.524 -20.142 -8.262 585 HA ASP 69 HA ASP 69 -2.945 -20.462 -5.411 586 1HB ASP 69 3HB ASP 69 -3.052 -22.267 -7.304 587 2HB ASP 69 2HB ASP 69 -1.308 -22.356 -7.060 588 H TYR 70 H TYR 70 -0.982 -18.374 -6.317 589 HA TYR 70 HA TYR 70 1.670 -19.268 -5.857 590 1HB TYR 70 3HB TYR 70 1.396 -17.143 -6.895 591 2HB TYR 70 2HB TYR 70 0.349 -16.565 -5.600 592 HD1 TYR 70 HD1 TYR 70 3.702 -18.262 -5.699 593 HD2 TYR 70 HD2 TYR 70 1.387 -14.912 -4.335 594 HE1 TYR 70 HE1 TYR 70 5.682 -17.385 -4.490 595 HE2 TYR 70 HE2 TYR 70 3.366 -14.036 -3.126 596 HH TYR 70 HH TYR 70 5.441 -14.614 -2.338 Start of MODEL 8 1 HA PRO 1 HA PRO 1 3.496 -4.794 6.433 2 1HB PRO 1 3HB PRO 1 2.889 -7.520 5.784 3 2HB PRO 1 2HB PRO 1 2.269 -6.556 7.132 4 1HG PRO 1 2HG PRO 1 0.868 -7.389 4.778 5 2HG PRO 1 1HG PRO 1 0.259 -6.413 6.123 6 1HD PRO 1 2HD PRO 1 0.893 -5.546 3.465 7 2HD PRO 1 1HD PRO 1 0.278 -4.580 4.810 8 H HIS 2 H HIS 2 3.503 -7.361 3.959 9 HA HIS 2 HA HIS 2 6.400 -6.767 3.535 10 1HB HIS 2 3HB HIS 2 6.498 -9.362 3.133 11 2HB HIS 2 2HB HIS 2 6.526 -8.739 4.783 12 HD1 HIS 2 HD1 HIS 2 4.719 -9.550 6.313 13 HD2 HIS 2 HD2 HIS 2 3.745 -10.178 2.308 14 HE1 HIS 2 HE1 HIS 2 2.567 -10.884 6.299 15 H ILE 3 H ILE 3 4.255 -5.830 1.942 16 HA ILE 3 HA ILE 3 5.054 -6.992 -0.641 17 HB ILE 3 HB ILE 3 2.371 -6.719 -1.068 18 1HG1 ILE 3 2HG1 ILE 3 2.772 -7.769 1.739 19 2HG1 ILE 3 1HG1 ILE 3 1.786 -6.394 1.247 20 1HG2 ILE 3 1HG2 ILE 3 4.289 -8.727 -1.152 21 2HG2 ILE 3 2HG2 ILE 3 2.631 -8.863 -1.738 22 3HG2 ILE 3 3HG2 ILE 3 3.037 -9.397 -0.108 23 1HD1 ILE 3 1HD1 ILE 3 1.008 -8.764 -0.221 24 2HD1 ILE 3 2HD1 ILE 3 0.027 -7.732 0.818 25 3HD1 ILE 3 3HD1 ILE 3 0.943 -9.069 1.513 26 H LYS 4 H LYS 4 5.840 -4.576 0.301 27 HA LYS 4 HA LYS 4 3.992 -2.445 -0.385 28 1HB LYS 4 3HB LYS 4 6.684 -2.696 0.711 29 2HB LYS 4 2HB LYS 4 6.558 -1.365 -0.440 30 1HG LYS 4 2HG LYS 4 5.383 -0.127 1.028 31 2HG LYS 4 1HG LYS 4 4.230 -1.437 1.280 32 1HD LYS 4 2HD LYS 4 5.653 -2.461 2.945 33 2HD LYS 4 1HD LYS 4 6.952 -1.318 2.603 34 1HE LYS 4 2HE LYS 4 5.456 0.542 3.332 35 2HE LYS 4 1HE LYS 4 4.234 -0.651 3.770 36 1HZ LYS 4 1HZ LYS 4 5.293 -0.449 5.749 37 2HZ LYS 4 2HZ LYS 4 6.787 -0.042 5.052 38 3HZ LYS 4 3HZ LYS 4 6.270 -1.659 5.071 39 H ARG 5 H ARG 5 3.673 -3.691 -2.618 40 HA ARG 5 HA ARG 5 5.703 -3.419 -4.626 41 1HB ARG 5 3HB ARG 5 3.356 -4.693 -4.613 42 2HB ARG 5 2HB ARG 5 2.817 -3.201 -5.383 43 1HG ARG 5 2HG ARG 5 3.489 -4.683 -7.151 44 2HG ARG 5 1HG ARG 5 4.756 -3.464 -7.003 45 1HD ARG 5 2HD ARG 5 6.292 -4.966 -6.229 46 2HD ARG 5 1HD ARG 5 5.093 -5.865 -5.300 47 HE ARG 5 HE ARG 5 5.846 -6.368 -8.096 48 1HH1 ARG 5 1HH1 ARG 5 2.900 -6.315 -8.146 49 2HH1 ARG 5 2HH1 ARG 5 2.473 -7.930 -7.688 50 1HH2 ARG 5 1HH2 ARG 5 5.599 -8.666 -6.375 51 2HH2 ARG 5 2HH2 ARG 5 4.001 -9.262 -6.684 52 HA PRO 6 HA PRO 6 5.380 1.009 -4.868 53 1HB PRO 6 3HB PRO 6 7.359 1.321 -6.751 54 2HB PRO 6 2HB PRO 6 7.671 1.065 -5.025 55 1HG PRO 6 2HG PRO 6 7.972 -0.850 -7.287 56 2HG PRO 6 1HG PRO 6 8.810 -0.816 -5.727 57 1HD PRO 6 2HD PRO 6 6.665 -2.531 -6.422 58 2HD PRO 6 1HD PRO 6 7.295 -2.255 -4.784 59 H MET 7 H MET 7 3.290 -0.169 -6.222 60 HA MET 7 HA MET 7 3.452 0.862 -8.960 61 1HB MET 7 3HB MET 7 1.409 -0.908 -7.706 62 2HB MET 7 2HB MET 7 1.552 -0.520 -9.408 63 1HG MET 7 2HG MET 7 3.840 -1.755 -7.904 64 2HG MET 7 1HG MET 7 2.571 -2.740 -8.603 65 1HE MET 7 1HE MET 7 6.180 -1.454 -9.676 66 2HE MET 7 2HE MET 7 5.894 -2.932 -10.590 67 3HE MET 7 3HE MET 7 5.422 -2.848 -8.895 68 H ASN 8 H ASN 8 1.489 2.069 -9.623 69 HA ASN 8 HA ASN 8 -0.449 2.985 -7.793 70 1HB ASN 8 3HB ASN 8 1.059 4.173 -6.509 71 2HB ASN 8 2HB ASN 8 2.070 4.524 -7.890 72 1HD2 ASN 8 1HD2 ASN 8 -0.966 5.455 -6.293 73 2HD2 ASN 8 2HD2 ASN 8 -1.092 6.971 -7.045 74 H ALA 9 H ALA 9 -1.504 5.063 -8.797 75 HA ALA 9 HA ALA 9 -2.068 4.554 -11.510 76 1HB ALA 9 1HB ALA 9 -3.293 6.116 -9.784 77 2HB ALA 9 2HB ALA 9 -3.329 6.537 -11.496 78 3HB ALA 9 3HB ALA 9 -2.204 7.354 -10.411 79 H PHE 10 H PHE 10 0.390 6.462 -9.971 80 HA PHE 10 HA PHE 10 1.315 7.743 -12.343 81 1HB PHE 10 3HB PHE 10 1.857 8.752 -10.319 82 2HB PHE 10 2HB PHE 10 2.435 7.249 -9.621 83 HD1 PHE 10 HD1 PHE 10 3.124 9.493 -12.530 84 HD2 PHE 10 HD2 PHE 10 4.743 6.895 -9.526 85 HE1 PHE 10 HE1 PHE 10 5.410 10.035 -13.297 86 HE2 PHE 10 HE2 PHE 10 7.039 7.432 -10.296 87 HZ PHE 10 HZ PHE 10 7.374 9.006 -12.185 88 H MET 11 H MET 11 2.854 5.216 -10.371 89 HA MET 11 HA MET 11 4.729 4.465 -12.389 90 1HB MET 11 3HB MET 11 3.559 2.907 -10.058 91 2HB MET 11 2HB MET 11 4.866 2.302 -11.078 92 1HG MET 11 2HG MET 11 5.584 4.938 -10.323 93 2HG MET 11 1HG MET 11 5.022 4.131 -8.860 94 1HE MET 11 1HE MET 11 7.825 5.291 -9.912 95 2HE MET 11 2HE MET 11 9.053 4.157 -9.352 96 3HE MET 11 3HE MET 11 7.799 4.707 -8.243 97 H VAL 12 H VAL 12 1.364 4.028 -12.012 98 HA VAL 12 HA VAL 12 1.208 1.646 -13.682 99 HB VAL 12 HB VAL 12 -0.772 3.522 -12.395 100 1HG1 VAL 12 1HG1 VAL 12 -2.025 3.204 -14.281 101 2HG1 VAL 12 2HG1 VAL 12 -2.460 1.738 -13.403 102 3HG1 VAL 12 3HG1 VAL 12 -1.244 1.674 -14.679 103 1HG2 VAL 12 1HG2 VAL 12 -1.230 0.700 -12.032 104 2HG2 VAL 12 2HG2 VAL 12 -0.796 1.906 -10.821 105 3HG2 VAL 12 3HG2 VAL 12 0.466 1.061 -11.717 106 H TRP 13 H TRP 13 0.496 5.082 -13.896 107 HA TRP 13 HA TRP 13 -0.176 4.846 -16.753 108 1HB TRP 13 3HB TRP 13 -1.340 6.619 -15.959 109 2HB TRP 13 2HB TRP 13 -0.227 6.874 -14.631 110 HD1 TRP 13 HD1 TRP 13 -1.317 8.274 -17.782 111 HE1 TRP 13 HE1 TRP 13 0.200 10.212 -18.469 112 HE3 TRP 13 HE3 TRP 13 2.615 7.578 -14.596 113 HZ2 TRP 13 HZ2 TRP 13 2.747 11.320 -17.844 114 HZ3 TRP 13 HZ3 TRP 13 4.576 9.075 -14.680 115 HH2 TRP 13 HH2 TRP 13 4.647 10.954 -16.292 116 H ALA 14 H ALA 14 2.549 5.720 -14.794 117 HA ALA 14 HA ALA 14 4.150 6.853 -16.891 118 1HB ALA 14 1HB ALA 14 5.448 5.638 -14.520 119 2HB ALA 14 2HB ALA 14 4.277 6.920 -14.217 120 3HB ALA 14 3HB ALA 14 5.671 7.230 -15.243 121 H LYS 15 H LYS 15 3.554 3.552 -15.853 122 HA LYS 15 HA LYS 15 5.942 2.432 -16.943 123 1HB LYS 15 3HB LYS 15 3.212 1.294 -16.337 124 2HB LYS 15 2HB LYS 15 4.484 0.310 -17.066 125 1HG LYS 15 2HG LYS 15 5.182 1.925 -14.655 126 2HG LYS 15 1HG LYS 15 4.212 0.470 -14.421 127 1HD LYS 15 2HD LYS 15 5.977 -0.694 -15.908 128 2HD LYS 15 1HD LYS 15 6.977 0.723 -15.580 129 1HE LYS 15 2HE LYS 15 7.573 -0.219 -13.624 130 2HE LYS 15 1HE LYS 15 5.902 -0.046 -13.089 131 1HZ LYS 15 1HZ LYS 15 6.793 -2.331 -14.743 132 2HZ LYS 15 2HZ LYS 15 5.374 -2.188 -13.818 133 3HZ LYS 15 3HZ LYS 15 6.879 -2.359 -13.049 134 H ASP 16 H ASP 16 2.908 3.455 -18.251 135 HA ASP 16 HA ASP 16 3.570 2.318 -20.895 136 1HB ASP 16 3HB ASP 16 1.145 2.729 -19.608 137 2HB ASP 16 2HB ASP 16 1.230 4.087 -20.729 138 H GLU 17 H GLU 17 3.368 5.286 -19.105 139 HA GLU 17 HA GLU 17 3.781 7.078 -21.314 140 1HB GLU 17 3HB GLU 17 3.406 7.191 -18.488 141 2HB GLU 17 2HB GLU 17 4.835 8.141 -18.890 142 1HG GLU 17 2HG GLU 17 2.749 8.564 -20.836 143 2HG GLU 17 1HG GLU 17 2.146 8.865 -19.213 144 H ARG 18 H ARG 18 5.867 5.323 -19.089 145 HA ARG 18 HA ARG 18 8.332 6.550 -20.072 146 1HB ARG 18 3HB ARG 18 9.489 4.867 -18.749 147 2HB ARG 18 2HB ARG 18 8.152 5.490 -17.791 148 1HG ARG 18 2HG ARG 18 7.747 3.257 -17.480 149 2HG ARG 18 1HG ARG 18 6.886 3.448 -19.005 150 1HD ARG 18 2HD ARG 18 8.879 2.732 -20.246 151 2HD ARG 18 1HD ARG 18 9.783 2.593 -18.739 152 HE ARG 18 HE ARG 18 7.372 0.983 -18.694 153 1HH1 ARG 18 1HH2 ARG 18 9.372 0.628 -21.174 154 2HH1 ARG 18 2HH2 ARG 18 10.157 -0.829 -20.659 155 1HH2 ARG 18 1HH1 ARG 18 8.919 -0.666 -17.424 156 2HH2 ARG 18 2HH1 ARG 18 9.899 -1.560 -18.538 157 H ARG 19 H ARG 19 6.352 3.753 -20.711 158 HA ARG 19 HA ARG 19 8.119 2.478 -22.583 159 1HB ARG 19 3HB ARG 19 5.233 2.336 -21.813 160 2HB ARG 19 2HB ARG 19 5.657 1.728 -23.406 161 1HG ARG 19 2HG ARG 19 7.631 0.630 -21.854 162 2HG ARG 19 1HG ARG 19 6.256 0.610 -20.751 163 1HD ARG 19 2HD ARG 19 6.402 -0.619 -23.515 164 2HD ARG 19 1HD ARG 19 6.201 -1.462 -21.980 165 HE ARG 19 HE ARG 19 4.109 0.406 -23.024 166 1HH1 ARG 19 1HH1 ARG 19 4.167 -1.124 -20.298 167 2HH1 ARG 19 2HH1 ARG 19 3.026 -2.380 -20.642 168 1HH2 ARG 19 1HH2 ARG 19 3.058 -1.834 -24.067 169 2HH2 ARG 19 2HH2 ARG 19 2.397 -2.782 -22.776 170 H LYS 20 H LYS 20 5.489 4.804 -22.700 171 HA LYS 20 HA LYS 20 5.588 5.189 -25.543 172 1HB LYS 20 3HB LYS 20 3.520 5.721 -24.587 173 2HB LYS 20 2HB LYS 20 4.265 6.554 -23.228 174 1HG LYS 20 2HG LYS 20 5.100 8.251 -25.038 175 2HG LYS 20 1HG LYS 20 3.830 7.542 -26.036 176 1HD LYS 20 2HD LYS 20 2.168 8.036 -24.309 177 2HD LYS 20 1HD LYS 20 3.428 8.690 -23.263 178 1HE LYS 20 2HE LYS 20 3.694 9.999 -25.766 179 2HE LYS 20 1HE LYS 20 1.978 10.021 -25.364 180 1HZ LYS 20 1HZ LYS 20 2.529 10.924 -23.194 181 2HZ LYS 20 2HZ LYS 20 3.134 11.924 -24.427 182 3HZ LYS 20 3HZ LYS 20 4.182 10.894 -23.573 183 H ILE 21 H ILE 21 7.462 6.353 -22.920 184 HA ILE 21 HA ILE 21 8.459 8.619 -24.545 185 HB ILE 21 HB ILE 21 8.192 8.106 -21.702 186 1HG1 ILE 21 2HG1 ILE 21 9.149 10.713 -22.190 187 2HG1 ILE 21 1HG1 ILE 21 8.186 10.279 -23.603 188 1HG2 ILE 21 1HG2 ILE 21 10.412 9.325 -21.165 189 2HG2 ILE 21 2HG2 ILE 21 10.943 8.752 -22.747 190 3HG2 ILE 21 3HG2 ILE 21 10.478 7.595 -21.500 191 1HD1 ILE 21 1HD1 ILE 21 7.140 9.708 -20.840 192 2HD1 ILE 21 2HD1 ILE 21 6.242 9.950 -22.339 193 3HD1 ILE 21 3HD1 ILE 21 6.986 11.326 -21.524 194 H LEU 22 H LEU 22 9.589 5.689 -22.943 195 HA LEU 22 HA LEU 22 12.309 5.780 -23.575 196 1HB LEU 22 3HB LEU 22 10.765 3.981 -22.416 197 2HB LEU 22 2HB LEU 22 10.782 3.259 -24.023 198 HG LEU 22 HG LEU 22 13.310 3.518 -23.963 199 1HD1 LEU 22 1HD1 LEU 22 13.537 5.104 -22.172 200 2HD1 LEU 22 2HD1 LEU 22 14.204 3.579 -21.589 201 3HD1 LEU 22 3HD1 LEU 22 12.595 4.091 -21.077 202 1HD2 LEU 22 1HD2 LEU 22 11.540 1.667 -22.537 203 2HD2 LEU 22 2HD2 LEU 22 13.216 1.621 -21.991 204 3HD2 LEU 22 3HD2 LEU 22 12.832 1.329 -23.688 205 H GLN 23 H GLN 23 9.542 5.180 -25.582 206 HA GLN 23 HA GLN 23 10.879 4.110 -27.862 207 1HB GLN 23 3HB GLN 23 8.900 4.775 -29.082 208 2HB GLN 23 2HB GLN 23 8.396 4.155 -27.515 209 1HG GLN 23 2HG GLN 23 8.451 6.505 -26.672 210 2HG GLN 23 1HG GLN 23 8.711 7.032 -28.328 211 1HE2 GLN 23 1HE2 GLN 23 6.707 7.915 -28.962 212 2HE2 GLN 23 2HE2 GLN 23 5.219 7.111 -28.817 213 H ALA 24 H ALA 24 10.175 7.202 -26.636 214 HA ALA 24 HA ALA 24 11.457 8.642 -28.840 215 1HB ALA 24 1HB ALA 24 9.342 9.321 -27.388 216 2HB ALA 24 2HB ALA 24 10.455 10.551 -27.989 217 3HB ALA 24 3HB ALA 24 10.578 9.988 -26.322 218 H PHE 25 H PHE 25 12.389 7.193 -25.942 219 HA PHE 25 HA PHE 25 15.023 8.454 -26.086 220 1HB PHE 25 3HB PHE 25 13.361 8.508 -23.548 221 2HB PHE 25 2HB PHE 25 15.038 9.029 -23.694 222 HD1 PHE 25 HD1 PHE 25 11.734 10.177 -23.663 223 HD2 PHE 25 HD2 PHE 25 15.444 10.712 -25.759 224 HE1 PHE 25 HE1 PHE 25 10.993 12.424 -24.406 225 HE2 PHE 25 HE2 PHE 25 14.704 12.958 -26.503 226 HZ PHE 25 HZ PHE 25 12.476 13.814 -25.827 227 HA PRO 26 HA PRO 26 14.859 3.905 -25.242 228 1HB PRO 26 3HB PRO 26 16.738 3.339 -27.169 229 2HB PRO 26 2HB PRO 26 14.992 3.383 -27.461 230 1HG PRO 26 2HG PRO 26 17.066 5.446 -28.139 231 2HG PRO 26 1HG PRO 26 15.590 5.009 -29.020 232 1HD PRO 26 2HD PRO 26 15.788 7.257 -27.405 233 2HD PRO 26 1HD PRO 26 14.264 6.431 -27.763 234 H ASP 27 H ASP 27 17.047 6.434 -24.879 235 HA ASP 27 HA ASP 27 19.133 4.652 -23.729 236 1HB ASP 27 3HB ASP 27 19.224 7.137 -25.159 237 2HB ASP 27 2HB ASP 27 19.968 7.323 -23.576 238 H MET 28 H MET 28 16.824 7.160 -23.092 239 HA MET 28 HA MET 28 17.560 7.775 -20.406 240 1HB MET 28 3HB MET 28 15.816 8.901 -22.054 241 2HB MET 28 2HB MET 28 14.718 7.822 -21.207 242 1HG MET 28 2HG MET 28 15.219 8.769 -19.096 243 2HG MET 28 1HG MET 28 16.648 9.590 -19.724 244 1HE MET 28 1HE MET 28 15.158 10.593 -22.671 245 2HE MET 28 2HE MET 28 16.569 11.048 -21.719 246 3HE MET 28 3HE MET 28 15.326 12.247 -22.065 247 H HIS 29 H HIS 29 18.001 5.831 -19.400 248 HA HIS 29 HA HIS 29 16.060 3.685 -19.434 249 1HB HIS 29 3HB HIS 29 17.617 2.481 -18.132 250 2HB HIS 29 2HB HIS 29 18.596 3.496 -19.189 251 HD1 HIS 29 HD1 HIS 29 19.637 2.482 -16.402 252 HD2 HIS 29 HD2 HIS 29 17.912 6.212 -17.087 253 HE1 HIS 29 HE1 HIS 29 20.470 4.008 -14.561 254 H ASN 30 H ASN 30 15.659 2.759 -16.987 255 HA ASN 30 HA ASN 30 13.566 4.207 -15.894 256 1HB ASN 30 3HB ASN 30 15.487 2.265 -14.619 257 2HB ASN 30 2HB ASN 30 14.131 2.949 -13.721 258 1HD2 ASN 30 1HD2 ASN 30 13.515 0.490 -13.758 259 2HD2 ASN 30 2HD2 ASN 30 12.584 -0.033 -15.077 260 H SER 31 H SER 31 16.711 4.044 -14.194 261 HA SER 31 HA SER 31 16.382 5.941 -12.280 262 1HB SER 31 3HB SER 31 18.581 4.749 -13.446 263 2HB SER 31 2HB SER 31 18.880 6.471 -13.617 264 HG SER 31 HG SER 31 18.183 5.097 -11.234 265 H ASN 32 H ASN 32 16.537 6.676 -15.716 266 HA ASN 32 HA ASN 32 16.577 9.567 -15.041 267 1HB ASN 32 3HB ASN 32 17.649 8.033 -17.191 268 2HB ASN 32 2HB ASN 32 16.544 9.246 -17.822 269 1HD2 ASN 32 1HD2 ASN 32 18.063 10.801 -18.580 270 2HD2 ASN 32 2HD2 ASN 32 19.178 11.580 -17.565 271 H ILE 33 H ILE 33 14.752 7.295 -17.099 272 HA ILE 33 HA ILE 33 12.701 9.042 -17.910 273 HB ILE 33 HB ILE 33 12.623 6.096 -17.233 274 1HG1 ILE 33 2HG1 ILE 33 14.017 6.936 -19.157 275 2HG1 ILE 33 1HG1 ILE 33 12.749 5.803 -19.625 276 1HG2 ILE 33 1HG2 ILE 33 10.378 6.148 -17.374 277 2HG2 ILE 33 2HG2 ILE 33 10.518 6.803 -19.007 278 3HG2 ILE 33 3HG2 ILE 33 10.416 7.894 -17.625 279 1HD1 ILE 33 1HD1 ILE 33 12.981 8.727 -20.163 280 2HD1 ILE 33 2HD1 ILE 33 11.361 8.093 -19.877 281 3HD1 ILE 33 3HD1 ILE 33 12.342 7.444 -21.189 282 H SER 34 H SER 34 13.320 7.599 -14.813 283 HA SER 34 HA SER 34 10.801 7.789 -13.564 284 1HB SER 34 3HB SER 34 13.604 7.695 -12.737 285 2HB SER 34 2HB SER 34 12.589 8.600 -11.618 286 HG SER 34 HG SER 34 12.084 5.981 -12.609 287 H LYS 35 H LYS 35 13.361 10.280 -13.776 288 HA LYS 35 HA LYS 35 11.817 12.279 -12.440 289 1HB LYS 35 3HB LYS 35 14.117 12.576 -14.396 290 2HB LYS 35 2HB LYS 35 13.487 13.865 -13.367 291 1HG LYS 35 2HG LYS 35 14.211 11.327 -11.999 292 2HG LYS 35 1HG LYS 35 15.552 12.289 -12.625 293 1HD LYS 35 2HD LYS 35 13.353 13.573 -11.013 294 2HD LYS 35 1HD LYS 35 14.717 12.788 -10.216 295 1HE LYS 35 2HE LYS 35 16.180 14.221 -11.828 296 2HE LYS 35 1HE LYS 35 14.722 15.197 -12.021 297 1HZ LYS 35 1HZ LYS 35 15.454 14.503 -9.295 298 2HZ LYS 35 2HZ LYS 35 14.840 15.959 -9.922 299 3HZ LYS 35 3HZ LYS 35 16.490 15.588 -10.085 300 H ILE 36 H ILE 36 12.017 11.069 -15.660 301 HA ILE 36 HA ILE 36 10.683 13.253 -16.949 302 HB ILE 36 HB ILE 36 11.312 10.447 -17.662 303 1HG1 ILE 36 2HG1 ILE 36 12.422 11.635 -19.585 304 2HG1 ILE 36 1HG1 ILE 36 11.932 13.159 -18.846 305 1HG2 ILE 36 1HG2 ILE 36 9.174 12.129 -18.847 306 2HG2 ILE 36 2HG2 ILE 36 9.334 10.372 -18.824 307 3HG2 ILE 36 3HG2 ILE 36 10.249 11.325 -19.991 308 1HD1 ILE 36 1HD1 ILE 36 13.634 11.051 -17.488 309 2HD1 ILE 36 2HD1 ILE 36 13.200 12.626 -16.825 310 3HD1 ILE 36 3HD1 ILE 36 14.259 12.523 -18.232 311 H LEU 37 H LEU 37 9.636 10.003 -16.055 312 HA LEU 37 HA LEU 37 6.874 10.249 -16.530 313 1HB LEU 37 3HB LEU 37 8.477 8.722 -14.495 314 2HB LEU 37 2HB LEU 37 6.728 8.590 -14.600 315 HG LEU 37 HG LEU 37 8.698 8.013 -16.821 316 1HD1 LEU 37 1HD1 LEU 37 6.927 5.875 -16.072 317 2HD1 LEU 37 2HD1 LEU 37 7.769 6.479 -14.644 318 3HD1 LEU 37 3HD1 LEU 37 8.689 5.914 -16.040 319 1HD2 LEU 37 1HD2 LEU 37 5.853 8.627 -16.844 320 2HD2 LEU 37 2HD2 LEU 37 6.150 6.997 -17.447 321 3HD2 LEU 37 3HD2 LEU 37 6.945 8.377 -18.207 322 H GLY 38 H GLY 38 8.526 10.501 -13.400 323 1HA GLY 38 2HA GLY 38 6.356 11.515 -11.905 324 2HA GLY 38 1HA GLY 38 8.049 11.782 -11.489 325 H SER 39 H SER 39 8.141 13.030 -14.379 326 HA SER 39 HA SER 39 7.351 15.705 -13.435 327 1HB SER 39 3HB SER 39 9.249 14.785 -15.601 328 2HB SER 39 2HB SER 39 8.743 16.466 -15.436 329 HG SER 39 HG SER 39 10.742 15.749 -14.309 330 H ARG 40 H ARG 40 6.564 13.151 -15.556 331 HA ARG 40 HA ARG 40 4.983 14.834 -17.356 332 1HB ARG 40 3HB ARG 40 5.930 12.065 -17.164 333 2HB ARG 40 2HB ARG 40 4.363 12.271 -17.921 334 1HG ARG 40 2HG ARG 40 6.089 14.317 -18.888 335 2HG ARG 40 1HG ARG 40 6.941 12.778 -19.030 336 1HD ARG 40 2HD ARG 40 5.477 11.950 -20.545 337 2HD ARG 40 1HD ARG 40 4.090 12.757 -19.822 338 HE ARG 40 HE ARG 40 4.583 14.715 -21.124 339 1HH1 ARG 40 1HH2 ARG 40 5.379 12.160 -22.860 340 2HH1 ARG 40 2HH2 ARG 40 6.746 12.827 -23.688 341 1HH2 ARG 40 1HH1 ARG 40 6.984 15.597 -21.615 342 2HH2 ARG 40 2HH1 ARG 40 7.655 14.774 -22.984 343 H TRP 41 H TRP 41 4.826 12.719 -14.645 344 HA TRP 41 HA TRP 41 2.020 12.314 -14.464 345 1HB TRP 41 3HB TRP 41 3.821 11.067 -13.232 346 2HB TRP 41 2HB TRP 41 4.033 12.496 -12.227 347 HD1 TRP 41 HD1 TRP 41 2.540 12.580 -10.167 348 HE1 TRP 41 HE1 TRP 41 0.290 11.495 -9.462 349 HE3 TRP 41 HE3 TRP 41 1.447 10.085 -14.428 350 HZ2 TRP 41 HZ2 TRP 41 -1.721 9.772 -10.628 351 HZ3 TRP 41 HZ3 TRP 41 -0.612 8.734 -14.616 352 HH2 TRP 41 HH2 TRP 41 -2.187 8.585 -12.784 353 H LYS 42 H LYS 42 4.129 14.493 -12.567 354 HA LYS 42 HA LYS 42 1.990 15.933 -11.369 355 1HB LYS 42 3HB LYS 42 4.837 16.761 -12.036 356 2HB LYS 42 2HB LYS 42 3.724 17.787 -11.127 357 1HG LYS 42 2HG LYS 42 3.419 15.546 -9.704 358 2HG LYS 42 1HG LYS 42 5.044 15.236 -10.313 359 1HD LYS 42 2HD LYS 42 5.685 16.475 -8.510 360 2HD LYS 42 1HD LYS 42 5.286 17.840 -9.554 361 1HE LYS 42 2HE LYS 42 2.982 16.681 -8.118 362 2HE LYS 42 1HE LYS 42 4.193 17.434 -7.079 363 1HZ LYS 42 1HZ LYS 42 3.647 18.994 -9.407 364 2HZ LYS 42 2HZ LYS 42 3.605 19.446 -7.769 365 3HZ LYS 42 3HZ LYS 42 2.245 18.727 -8.492 366 H ALA 43 H ALA 43 3.376 15.882 -14.498 367 HA ALA 43 HA ALA 43 2.527 18.428 -15.432 368 1HB ALA 43 1HB ALA 43 3.765 17.764 -17.195 369 2HB ALA 43 2HB ALA 43 2.629 16.456 -17.524 370 3HB ALA 43 3HB ALA 43 3.970 16.199 -16.408 371 H MET 44 H MET 44 0.941 15.398 -14.901 372 HA MET 44 HA MET 44 -1.283 15.788 -16.706 373 1HB MET 44 3HB MET 44 -1.141 14.108 -14.184 374 2HB MET 44 2HB MET 44 -2.281 13.922 -15.513 375 1HG MET 44 2HG MET 44 0.202 13.860 -16.765 376 2HG MET 44 1HG MET 44 0.453 12.941 -15.282 377 1HE MET 44 1HE MET 44 -1.399 11.322 -14.387 378 2HE MET 44 2HE MET 44 -2.581 10.477 -15.385 379 3HE MET 44 3HE MET 44 -2.826 12.177 -14.992 380 H THR 45 H THR 45 -3.189 15.140 -14.345 381 HA THR 45 HA THR 45 -3.243 17.791 -13.025 382 HB THR 45 HB THR 45 -5.840 17.634 -13.769 383 HG1 THR 45 HG1 THR 45 -4.583 16.988 -16.159 384 1HG2 THR 45 1HG2 THR 45 -3.538 19.179 -14.405 385 2HG2 THR 45 2HG2 THR 45 -5.230 19.657 -14.546 386 3HG2 THR 45 3HG2 THR 45 -4.411 18.896 -15.911 387 H ASN 46 H ASN 46 -5.854 15.480 -13.506 388 HA ASN 46 HA ASN 46 -5.488 14.090 -11.005 389 1HB ASN 46 3HB ASN 46 -6.833 16.647 -10.909 390 2HB ASN 46 2HB ASN 46 -7.960 15.357 -10.486 391 1HD2 ASN 46 1HD2 ASN 46 -7.637 14.250 -8.485 392 2HD2 ASN 46 2HD2 ASN 46 -6.405 14.656 -7.390 393 H LEU 47 H LEU 47 -7.861 15.264 -13.367 394 HA LEU 47 HA LEU 47 -9.554 12.916 -13.160 395 1HB LEU 47 3HB LEU 47 -9.967 15.343 -14.233 396 2HB LEU 47 2HB LEU 47 -9.477 14.478 -15.691 397 HG LEU 47 HG LEU 47 -11.142 12.641 -14.786 398 1HD1 LEU 47 1HD1 LEU 47 -12.534 15.097 -13.745 399 2HD1 LEU 47 2HD1 LEU 47 -11.458 14.179 -12.691 400 3HD1 LEU 47 3HD1 LEU 47 -12.874 13.402 -13.401 401 1HD2 LEU 47 1HD2 LEU 47 -11.436 15.018 -16.465 402 2HD2 LEU 47 2HD2 LEU 47 -12.975 14.435 -15.832 403 3HD2 LEU 47 3HD2 LEU 47 -11.943 13.357 -16.772 404 H GLU 48 H GLU 48 -6.634 13.761 -14.805 405 HA GLU 48 HA GLU 48 -6.786 11.619 -16.775 406 1HB GLU 48 3HB GLU 48 -5.057 13.863 -16.224 407 2HB GLU 48 2HB GLU 48 -4.091 12.397 -16.402 408 1HG GLU 48 2HG GLU 48 -5.994 12.207 -18.436 409 2HG GLU 48 1HG GLU 48 -5.535 13.910 -18.433 410 H LYS 49 H LYS 49 -5.626 12.049 -13.514 411 HA LYS 49 HA LYS 49 -4.107 9.529 -13.521 412 1HB LYS 49 3HB LYS 49 -4.861 10.961 -11.004 413 2HB LYS 49 2HB LYS 49 -3.348 10.173 -11.435 414 1HG LYS 49 2HG LYS 49 -2.994 12.018 -13.143 415 2HG LYS 49 1HG LYS 49 -4.360 12.852 -12.400 416 1HD LYS 49 2HD LYS 49 -3.229 13.178 -10.375 417 2HD LYS 49 1HD LYS 49 -2.089 11.869 -10.690 418 1HE LYS 49 2HE LYS 49 -1.074 13.202 -12.513 419 2HE LYS 49 1HE LYS 49 -2.197 14.517 -12.165 420 1HZ LYS 49 1HZ LYS 49 -1.261 14.268 -9.780 421 2HZ LYS 49 2HZ LYS 49 -0.367 15.119 -10.947 422 3HZ LYS 49 3HZ LYS 49 0.051 13.520 -10.553 423 H GLN 50 H GLN 50 -7.325 10.555 -12.993 424 HA GLN 50 HA GLN 50 -8.199 8.718 -11.026 425 1HB GLN 50 3HB GLN 50 -10.064 9.917 -11.336 426 2HB GLN 50 2HB GLN 50 -9.365 10.643 -12.776 427 1HG GLN 50 2HG GLN 50 -10.313 8.985 -14.195 428 2HG GLN 50 1HG GLN 50 -10.699 7.933 -12.834 429 1HE2 GLN 50 1HE2 GLN 50 -11.296 11.463 -13.226 430 2HE2 GLN 50 2HE2 GLN 50 -12.977 11.352 -13.023 431 HA PRO 51 HA PRO 51 -9.207 5.685 -14.611 432 1HB PRO 51 3HB PRO 51 -7.779 6.003 -16.927 433 2HB PRO 51 2HB PRO 51 -9.370 6.708 -16.632 434 1HG PRO 51 2HG PRO 51 -6.706 8.044 -16.633 435 2HG PRO 51 1HG PRO 51 -8.298 8.721 -17.013 436 1HD PRO 51 2HD PRO 51 -6.911 9.060 -14.591 437 2HD PRO 51 1HD PRO 51 -8.635 9.392 -14.842 438 H TYR 52 H TYR 52 -5.819 6.830 -14.749 439 HA TYR 52 HA TYR 52 -4.736 4.145 -14.920 440 1HB TYR 52 3HB TYR 52 -3.221 6.476 -13.767 441 2HB TYR 52 2HB TYR 52 -2.625 5.163 -14.785 442 HD1 TYR 52 HD1 TYR 52 -4.730 5.116 -16.879 443 HD2 TYR 52 HD2 TYR 52 -2.691 8.411 -15.037 444 HE1 TYR 52 HE1 TYR 52 -5.143 6.490 -18.892 445 HE2 TYR 52 HE2 TYR 52 -3.100 9.792 -17.050 446 HH TYR 52 HH TYR 52 -5.177 8.676 -19.654 447 H TYR 53 H TYR 53 -6.377 5.725 -12.512 448 HA TYR 53 HA TYR 53 -4.806 4.815 -10.239 449 1HB TYR 53 3HB TYR 53 -6.949 6.604 -10.695 450 2HB TYR 53 2HB TYR 53 -7.558 5.368 -9.600 451 HD1 TYR 53 HD1 TYR 53 -6.783 8.422 -9.142 452 HD2 TYR 53 HD2 TYR 53 -4.875 4.667 -8.313 453 HE1 TYR 53 HE1 TYR 53 -5.535 9.471 -7.277 454 HE2 TYR 53 HE2 TYR 53 -3.626 5.712 -6.447 455 HH TYR 53 HH TYR 53 -4.348 8.185 -4.909 456 H GLU 54 H GLU 54 -7.834 3.807 -11.819 457 HA GLU 54 HA GLU 54 -8.296 1.604 -10.048 458 1HB GLU 54 3HB GLU 54 -10.061 1.002 -11.516 459 2HB GLU 54 2HB GLU 54 -9.986 2.759 -11.582 460 1HG GLU 54 2HG GLU 54 -8.645 2.633 -13.646 461 2HG GLU 54 1HG GLU 54 -8.706 0.872 -13.580 462 H GLU 55 H GLU 55 -6.825 1.764 -13.297 463 HA GLU 55 HA GLU 55 -6.372 -1.004 -13.616 464 1HB GLU 55 3HB GLU 55 -5.231 1.459 -14.696 465 2HB GLU 55 2HB GLU 55 -4.122 0.093 -14.718 466 1HG GLU 55 2HG GLU 55 -6.658 -0.876 -15.552 467 2HG GLU 55 1HG GLU 55 -6.360 0.614 -16.447 468 H GLN 56 H GLN 56 -4.978 1.276 -11.470 469 HA GLN 56 HA GLN 56 -2.588 -0.273 -10.871 470 1HB GLN 56 3HB GLN 56 -2.602 2.128 -10.530 471 2HB GLN 56 2HB GLN 56 -3.938 1.963 -9.422 472 1HG GLN 56 2HG GLN 56 -1.968 0.164 -8.517 473 2HG GLN 56 1HG GLN 56 -1.133 1.673 -8.880 474 1HE2 GLN 56 1HE2 GLN 56 -3.430 0.140 -6.721 475 2HE2 GLN 56 2HE2 GLN 56 -3.651 1.473 -5.694 476 H ALA 57 H ALA 57 -5.541 0.528 -9.112 477 HA ALA 57 HA ALA 57 -5.280 -1.137 -6.909 478 1HB ALA 57 1HB ALA 57 -7.843 -0.791 -8.488 479 2HB ALA 57 2HB ALA 57 -7.205 0.420 -7.375 480 3HB ALA 57 3HB ALA 57 -7.701 -1.162 -6.770 481 H ARG 58 H ARG 58 -5.983 -2.013 -10.246 482 HA ARG 58 HA ARG 58 -6.773 -4.734 -9.641 483 1HB ARG 58 3HB ARG 58 -6.857 -5.081 -11.955 484 2HB ARG 58 2HB ARG 58 -7.149 -3.349 -11.836 485 1HG ARG 58 2HG ARG 58 -5.436 -3.104 -13.287 486 2HG ARG 58 1HG ARG 58 -4.377 -3.531 -11.948 487 1HD ARG 58 2HD ARG 58 -3.730 -5.288 -13.211 488 2HD ARG 58 1HD ARG 58 -5.298 -5.993 -12.820 489 HE ARG 58 HE ARG 58 -6.102 -5.321 -14.986 490 1HH1 ARG 58 1HH1 ARG 58 -3.650 -3.149 -14.444 491 2HH1 ARG 58 2HH1 ARG 58 -2.927 -3.278 -16.013 492 1HH2 ARG 58 1HH2 ARG 58 -4.840 -6.009 -16.963 493 2HH2 ARG 58 2HH2 ARG 58 -3.601 -4.897 -17.441 494 H LEU 59 H LEU 59 -3.740 -3.073 -10.203 495 HA LEU 59 HA LEU 59 -2.071 -5.362 -10.579 496 1HB LEU 59 3HB LEU 59 -1.230 -2.860 -9.102 497 2HB LEU 59 2HB LEU 59 -0.242 -3.915 -10.102 498 HG LEU 59 HG LEU 59 -2.509 -2.179 -11.123 499 1HD1 LEU 59 1HD1 LEU 59 -0.712 -0.730 -10.545 500 2HD1 LEU 59 2HD1 LEU 59 -0.516 -1.031 -12.272 501 3HD1 LEU 59 3HD1 LEU 59 0.499 -1.881 -11.107 502 1HD2 LEU 59 1HD2 LEU 59 -1.787 -4.460 -12.258 503 2HD2 LEU 59 2HD2 LEU 59 -0.410 -3.506 -12.811 504 3HD2 LEU 59 3HD2 LEU 59 -2.050 -3.023 -13.247 505 H SER 60 H SER 60 -3.440 -3.877 -7.702 506 HA SER 60 HA SER 60 -1.757 -5.352 -5.843 507 1HB SER 60 3HB SER 60 -4.496 -4.263 -5.193 508 2HB SER 60 2HB SER 60 -3.097 -4.413 -4.135 509 HG SER 60 HG SER 60 -3.085 -2.320 -4.709 510 H LYS 61 H LYS 61 -4.854 -5.818 -7.414 511 HA LYS 61 HA LYS 61 -5.845 -8.011 -5.939 512 1HB LYS 61 3HB LYS 61 -6.955 -6.722 -7.857 513 2HB LYS 61 2HB LYS 61 -6.034 -7.762 -8.944 514 1HG LYS 61 2HG LYS 61 -8.227 -8.759 -8.603 515 2HG LYS 61 1HG LYS 61 -7.026 -9.757 -7.784 516 1HD LYS 61 2HD LYS 61 -7.736 -7.863 -5.866 517 2HD LYS 61 1HD LYS 61 -9.262 -8.262 -6.655 518 1HE LYS 61 2HE LYS 61 -9.085 -10.551 -6.112 519 2HE LYS 61 1HE LYS 61 -7.355 -10.431 -5.791 520 1HZ LYS 61 1HZ LYS 61 -9.293 -10.348 -3.915 521 2HZ LYS 61 2HZ LYS 61 -8.966 -8.698 -4.153 522 3HZ LYS 61 3HZ LYS 61 -7.716 -9.760 -3.709 523 H GLN 62 H GLN 62 -3.734 -8.017 -8.820 524 HA GLN 62 HA GLN 62 -3.267 -10.900 -8.562 525 1HB GLN 62 3HB GLN 62 -1.957 -8.805 -10.324 526 2HB GLN 62 2HB GLN 62 -1.684 -10.545 -10.449 527 1HG GLN 62 2HG GLN 62 -4.153 -10.845 -10.799 528 2HG GLN 62 1HG GLN 62 -4.312 -9.088 -10.847 529 1HE2 GLN 62 1HE2 GLN 62 -2.586 -8.050 -12.485 530 2HE2 GLN 62 2HE2 GLN 62 -2.467 -8.839 -13.983 531 H HIS 63 H HIS 63 -1.807 -7.965 -7.432 532 HA HIS 63 HA HIS 63 0.860 -8.835 -7.010 533 1HB HIS 63 3HB HIS 63 0.231 -6.502 -6.710 534 2HB HIS 63 2HB HIS 63 -0.838 -6.932 -5.376 535 HD1 HIS 63 HD1 HIS 63 2.219 -8.918 -5.340 536 HD2 HIS 63 HD2 HIS 63 1.061 -5.200 -3.853 537 HE1 HIS 63 HE1 HIS 63 3.929 -8.285 -3.582 538 H LEU 64 H LEU 64 -1.500 -8.499 -4.361 539 HA LEU 64 HA LEU 64 -0.136 -10.258 -2.620 540 1HB LEU 64 3HB LEU 64 -3.124 -9.803 -2.613 541 2HB LEU 64 2HB LEU 64 -2.091 -10.182 -1.243 542 HG LEU 64 HG LEU 64 -2.204 -7.928 -0.901 543 1HD1 LEU 64 1HD1 LEU 64 -0.235 -6.888 -1.539 544 2HD1 LEU 64 2HD1 LEU 64 -0.320 -7.510 -3.187 545 3HD1 LEU 64 3HD1 LEU 64 0.171 -8.573 -1.869 546 1HD2 LEU 64 1HD2 LEU 64 -3.558 -7.989 -3.316 547 2HD2 LEU 64 2HD2 LEU 64 -2.222 -6.880 -3.625 548 3HD2 LEU 64 3HD2 LEU 64 -3.337 -6.566 -2.296 549 H GLU 65 H GLU 65 -2.757 -10.905 -4.926 550 HA GLU 65 HA GLU 65 -3.221 -13.588 -4.187 551 1HB GLU 65 3HB GLU 65 -3.555 -12.057 -6.748 552 2HB GLU 65 2HB GLU 65 -3.819 -13.800 -6.730 553 1HG GLU 65 2HG GLU 65 -5.175 -12.925 -4.470 554 2HG GLU 65 1HG GLU 65 -5.493 -11.660 -5.656 555 H LYS 66 H LYS 66 -0.482 -12.155 -5.616 556 HA LYS 66 HA LYS 66 0.442 -14.617 -6.926 557 1HB LYS 66 3HB LYS 66 1.469 -11.829 -6.611 558 2HB LYS 66 2HB LYS 66 2.639 -13.106 -6.930 559 1HG LYS 66 2HG LYS 66 0.445 -13.542 -8.680 560 2HG LYS 66 1HG LYS 66 0.849 -11.827 -8.774 561 1HD LYS 66 2HD LYS 66 3.098 -12.277 -9.395 562 2HD LYS 66 1HD LYS 66 2.972 -13.971 -8.917 563 1HE LYS 66 2HE LYS 66 2.814 -13.985 -11.292 564 2HE LYS 66 1HE LYS 66 1.158 -14.183 -10.718 565 1HZ LYS 66 1HZ LYS 66 1.294 -12.522 -12.463 566 2HZ LYS 66 2HZ LYS 66 2.408 -11.621 -11.549 567 3HZ LYS 66 3HZ LYS 66 0.811 -11.812 -11.000 568 H TYR 67 H TYR 67 1.768 -12.562 -4.334 569 HA TYR 67 HA TYR 67 2.297 -14.923 -2.685 570 1HB TYR 67 3HB TYR 67 4.675 -14.765 -2.634 571 2HB TYR 67 2HB TYR 67 4.231 -14.745 -4.340 572 HD1 TYR 67 HD1 TYR 67 5.503 -12.767 -1.515 573 HD2 TYR 67 HD2 TYR 67 4.375 -12.671 -5.661 574 HE1 TYR 67 HE1 TYR 67 6.627 -10.571 -1.771 575 HE2 TYR 67 HE2 TYR 67 5.499 -10.475 -5.915 576 HH TYR 67 HH TYR 67 7.684 -9.270 -3.759 577 HA PRO 68 HA PRO 68 1.636 -11.515 0.127 578 1HB PRO 68 3HB PRO 68 1.317 -13.099 2.346 579 2HB PRO 68 2HB PRO 68 0.033 -12.812 1.162 580 1HG PRO 68 2HG PRO 68 1.689 -15.257 1.575 581 2HG PRO 68 1HG PRO 68 0.065 -15.104 0.882 582 1HD PRO 68 2HD PRO 68 2.476 -15.444 -0.575 583 2HD PRO 68 1HD PRO 68 0.896 -14.991 -1.250 584 H ASP 69 H ASP 69 3.020 -13.859 2.310 585 HA ASP 69 HA ASP 69 5.271 -12.103 2.832 586 1HB ASP 69 3HB ASP 69 4.039 -13.144 4.698 587 2HB ASP 69 2HB ASP 69 4.525 -14.731 4.109 588 H TYR 70 H TYR 70 5.989 -15.371 3.232 589 HA TYR 70 HA TYR 70 8.314 -15.280 1.637 590 1HB TYR 70 3HB TYR 70 6.765 -17.752 2.451 591 2HB TYR 70 2HB TYR 70 8.468 -17.681 2.001 592 HD1 TYR 70 HD1 TYR 70 6.045 -17.208 4.659 593 HD2 TYR 70 HD2 TYR 70 10.075 -16.364 3.433 594 HE1 TYR 70 HE1 TYR 70 6.649 -16.680 7.006 595 HE2 TYR 70 HE2 TYR 70 10.679 -15.837 5.780 596 HH TYR 70 HH TYR 70 9.989 -16.037 7.944 Start of MODEL 9 1 HA PRO 1 HA PRO 1 11.147 -11.975 -7.073 2 1HB PRO 1 3HB PRO 1 10.984 -10.296 -9.390 3 2HB PRO 1 2HB PRO 1 12.143 -11.592 -9.058 4 1HG PRO 1 2HG PRO 1 10.040 -11.629 -10.960 5 2HG PRO 1 1HG PRO 1 11.099 -12.958 -10.491 6 1HD PRO 1 2HD PRO 1 8.312 -12.564 -9.835 7 2HD PRO 1 1HD PRO 1 9.326 -13.990 -9.584 8 H HIS 2 H HIS 2 8.504 -11.310 -6.192 9 HA HIS 2 HA HIS 2 7.192 -9.476 -5.471 10 1HB HIS 2 3HB HIS 2 9.939 -8.254 -5.090 11 2HB HIS 2 2HB HIS 2 8.478 -7.911 -4.164 12 HD1 HIS 2 HD1 HIS 2 11.000 -10.672 -4.766 13 HD2 HIS 2 HD2 HIS 2 7.950 -9.721 -2.088 14 HE1 HIS 2 HE1 HIS 2 11.137 -12.371 -2.893 15 H ILE 3 H ILE 3 6.272 -8.848 -7.514 16 HA ILE 3 HA ILE 3 7.704 -6.790 -9.091 17 HB ILE 3 HB ILE 3 4.889 -7.631 -9.672 18 1HG1 ILE 3 2HG1 ILE 3 7.357 -9.339 -10.117 19 2HG1 ILE 3 1HG1 ILE 3 5.953 -9.755 -9.133 20 1HG2 ILE 3 1HG2 ILE 3 7.161 -6.403 -11.034 21 2HG2 ILE 3 2HG2 ILE 3 5.454 -6.392 -11.472 22 3HG2 ILE 3 3HG2 ILE 3 6.479 -7.743 -11.954 23 1HD1 ILE 3 1HD1 ILE 3 4.517 -9.779 -11.093 24 2HD1 ILE 3 2HD1 ILE 3 5.910 -10.815 -11.406 25 3HD1 ILE 3 3HD1 ILE 3 5.837 -9.199 -12.112 26 H LYS 4 H LYS 4 7.328 -5.645 -6.727 27 HA LYS 4 HA LYS 4 4.698 -4.372 -6.510 28 1HB LYS 4 3HB LYS 4 7.117 -4.584 -4.881 29 2HB LYS 4 2HB LYS 4 6.444 -2.954 -4.874 30 1HG LYS 4 2HG LYS 4 4.469 -3.621 -3.876 31 2HG LYS 4 1HG LYS 4 4.559 -5.251 -4.547 32 1HD LYS 4 2HD LYS 4 6.116 -5.963 -2.935 33 2HD LYS 4 1HD LYS 4 6.587 -4.313 -2.529 34 1HE LYS 4 2HE LYS 4 5.208 -5.106 -0.725 35 2HE LYS 4 1HE LYS 4 4.231 -3.967 -1.654 36 1HZ LYS 4 1HZ LYS 4 4.051 -6.645 -2.649 37 2HZ LYS 4 2HZ LYS 4 2.813 -5.561 -2.224 38 3HZ LYS 4 3HZ LYS 4 3.544 -6.527 -1.033 39 H ARG 5 H ARG 5 5.705 -3.810 -9.017 40 HA ARG 5 HA ARG 5 7.028 -1.194 -8.931 41 1HB ARG 5 3HB ARG 5 6.322 -3.170 -11.033 42 2HB ARG 5 2HB ARG 5 6.374 -1.480 -11.536 43 1HG ARG 5 2HG ARG 5 8.592 -3.041 -10.177 44 2HG ARG 5 1HG ARG 5 8.581 -2.455 -11.840 45 1HD ARG 5 2HD ARG 5 8.045 -0.174 -10.342 46 2HD ARG 5 1HD ARG 5 9.250 -1.030 -9.381 47 HE ARG 5 HE ARG 5 10.317 -1.133 -11.912 48 1HH1 ARG 5 1HH1 ARG 5 8.533 1.428 -12.103 49 2HH1 ARG 5 2HH1 ARG 5 9.734 2.643 -11.815 50 1HH2 ARG 5 1HH2 ARG 5 12.087 0.404 -10.600 51 2HH2 ARG 5 2HH2 ARG 5 11.746 2.063 -10.963 52 HA PRO 6 HA PRO 6 2.753 0.173 -10.567 53 1HB PRO 6 3HB PRO 6 0.734 -1.690 -10.580 54 2HB PRO 6 2HB PRO 6 1.819 -1.414 -11.954 55 1HG PRO 6 2HG PRO 6 1.775 -3.682 -10.025 56 2HG PRO 6 1HG PRO 6 2.396 -3.631 -11.684 57 1HD PRO 6 2HD PRO 6 3.946 -3.510 -9.309 58 2HD PRO 6 1HD PRO 6 4.518 -3.188 -10.957 59 H MET 7 H MET 7 3.245 0.884 -8.237 60 HA MET 7 HA MET 7 1.502 -0.260 -6.181 61 1HB MET 7 3HB MET 7 3.624 1.822 -6.225 62 2HB MET 7 2HB MET 7 2.623 1.569 -4.806 63 1HG MET 7 2HG MET 7 3.838 -0.836 -6.078 64 2HG MET 7 1HG MET 7 4.913 0.230 -5.181 65 1HE MET 7 1HE MET 7 2.170 -2.909 -3.683 66 2HE MET 7 2HE MET 7 3.229 -2.779 -5.086 67 3HE MET 7 3HE MET 7 1.674 -1.950 -5.083 68 H ASN 8 H ASN 8 1.794 2.707 -8.085 69 HA ASN 8 HA ASN 8 -0.872 3.524 -7.058 70 1HB ASN 8 3HB ASN 8 1.177 4.866 -6.259 71 2HB ASN 8 2HB ASN 8 1.204 5.483 -7.893 72 1HD2 ASN 8 1HD2 ASN 8 -0.514 5.584 -4.837 73 2HD2 ASN 8 2HD2 ASN 8 -1.624 6.789 -5.284 74 H ALA 9 H ALA 9 -1.676 5.357 -8.618 75 HA ALA 9 HA ALA 9 -2.065 4.167 -11.206 76 1HB ALA 9 1HB ALA 9 -2.839 6.686 -9.835 77 2HB ALA 9 2HB ALA 9 -3.842 5.525 -10.706 78 3HB ALA 9 3HB ALA 9 -2.871 6.696 -11.598 79 H PHE 10 H PHE 10 0.244 6.338 -9.878 80 HA PHE 10 HA PHE 10 1.119 7.538 -12.316 81 1HB PHE 10 3HB PHE 10 1.692 8.693 -10.411 82 2HB PHE 10 2HB PHE 10 2.168 7.242 -9.547 83 HD1 PHE 10 HD1 PHE 10 3.138 9.400 -12.436 84 HD2 PHE 10 HD2 PHE 10 4.433 6.621 -9.434 85 HE1 PHE 10 HE1 PHE 10 5.495 9.793 -13.088 86 HE2 PHE 10 HE2 PHE 10 6.793 7.012 -10.086 87 HZ PHE 10 HZ PHE 10 7.325 8.599 -11.915 88 H MET 11 H MET 11 2.787 5.108 -10.286 89 HA MET 11 HA MET 11 4.642 4.374 -12.308 90 1HB MET 11 3HB MET 11 3.459 2.572 -10.162 91 2HB MET 11 2HB MET 11 4.979 2.318 -11.021 92 1HG MET 11 2HG MET 11 5.528 4.741 -10.101 93 2HG MET 11 1HG MET 11 4.318 4.316 -8.890 94 1HE MET 11 1HE MET 11 6.371 5.114 -7.782 95 2HE MET 11 2HE MET 11 7.959 4.543 -8.288 96 3HE MET 11 3HE MET 11 7.245 3.934 -6.797 97 H VAL 12 H VAL 12 1.272 3.873 -11.916 98 HA VAL 12 HA VAL 12 1.121 1.555 -13.665 99 HB VAL 12 HB VAL 12 -0.834 3.391 -12.306 100 1HG1 VAL 12 1HG1 VAL 12 -2.210 3.197 -14.096 101 2HG1 VAL 12 2HG1 VAL 12 -2.487 1.570 -13.474 102 3HG1 VAL 12 3HG1 VAL 12 -1.313 1.832 -14.763 103 1HG2 VAL 12 1HG2 VAL 12 -0.445 0.388 -12.339 104 2HG2 VAL 12 2HG2 VAL 12 -1.630 1.251 -11.356 105 3HG2 VAL 12 3HG2 VAL 12 0.095 1.485 -11.069 106 H TRP 13 H TRP 13 0.282 4.971 -13.803 107 HA TRP 13 HA TRP 13 -0.371 4.810 -16.656 108 1HB TRP 13 3HB TRP 13 -1.543 6.557 -15.815 109 2HB TRP 13 2HB TRP 13 -0.439 6.758 -14.465 110 HD1 TRP 13 HD1 TRP 13 -1.526 8.332 -17.543 111 HE1 TRP 13 HE1 TRP 13 0.001 10.292 -18.132 112 HE3 TRP 13 HE3 TRP 13 2.422 7.444 -14.414 113 HZ2 TRP 13 HZ2 TRP 13 2.550 11.353 -17.453 114 HZ3 TRP 13 HZ3 TRP 13 4.382 8.936 -14.425 115 HH2 TRP 13 HH2 TRP 13 4.443 10.892 -15.921 116 H ALA 14 H ALA 14 2.375 5.604 -14.708 117 HA ALA 14 HA ALA 14 3.937 6.852 -16.768 118 1HB ALA 14 1HB ALA 14 5.450 7.195 -15.116 119 2HB ALA 14 2HB ALA 14 5.318 5.545 -14.508 120 3HB ALA 14 3HB ALA 14 4.103 6.746 -14.079 121 H LYS 15 H LYS 15 3.322 3.512 -15.921 122 HA LYS 15 HA LYS 15 5.682 2.378 -17.011 123 1HB LYS 15 3HB LYS 15 2.870 1.341 -16.640 124 2HB LYS 15 2HB LYS 15 4.146 0.344 -17.346 125 1HG LYS 15 2HG LYS 15 4.895 1.755 -14.861 126 2HG LYS 15 1HG LYS 15 3.667 0.500 -14.668 127 1HD LYS 15 2HD LYS 15 5.191 -1.018 -16.011 128 2HD LYS 15 1HD LYS 15 6.434 0.222 -15.842 129 1HE LYS 15 2HE LYS 15 6.957 -0.707 -13.854 130 2HE LYS 15 1HE LYS 15 5.413 -0.101 -13.256 131 1HZ LYS 15 1HZ LYS 15 5.606 -2.662 -14.718 132 2HZ LYS 15 2HZ LYS 15 4.367 -2.118 -13.691 133 3HZ LYS 15 3HZ LYS 15 5.869 -2.580 -13.044 134 H ASP 16 H ASP 16 2.687 3.533 -18.411 135 HA ASP 16 HA ASP 16 3.472 2.575 -21.078 136 1HB ASP 16 3HB ASP 16 1.060 2.566 -20.441 137 2HB ASP 16 2HB ASP 16 1.129 4.317 -20.243 138 H GLU 17 H GLU 17 3.236 5.512 -19.197 139 HA GLU 17 HA GLU 17 3.962 7.371 -21.236 140 1HB GLU 17 3HB GLU 17 3.504 7.316 -18.428 141 2HB GLU 17 2HB GLU 17 5.048 8.116 -18.693 142 1HG GLU 17 2HG GLU 17 3.138 8.983 -20.660 143 2HG GLU 17 1HG GLU 17 2.459 9.165 -19.048 144 H ARG 18 H ARG 18 5.727 5.178 -19.199 145 HA ARG 18 HA ARG 18 8.408 6.127 -19.693 146 1HB ARG 18 3HB ARG 18 7.147 3.597 -18.676 147 2HB ARG 18 2HB ARG 18 8.816 3.520 -19.230 148 1HG ARG 18 2HG ARG 18 8.646 5.826 -17.617 149 2HG ARG 18 1HG ARG 18 7.771 4.553 -16.764 150 1HD ARG 18 2HD ARG 18 10.232 3.549 -17.942 151 2HD ARG 18 1HD ARG 18 10.538 4.871 -16.815 152 HE ARG 18 HE ARG 18 8.742 2.697 -15.903 153 1HH1 ARG 18 1HH1 ARG 18 11.431 1.547 -16.004 154 2HH1 ARG 18 2HH1 ARG 18 12.119 2.004 -14.481 155 1HH2 ARG 18 1HH2 ARG 18 9.769 4.480 -13.868 156 2HH2 ARG 18 2HH2 ARG 18 11.176 3.664 -13.268 157 H ARG 19 H ARG 19 6.342 3.635 -21.004 158 HA ARG 19 HA ARG 19 8.097 2.745 -23.055 159 1HB ARG 19 3HB ARG 19 5.277 2.377 -22.252 160 2HB ARG 19 2HB ARG 19 5.584 2.183 -23.973 161 1HG ARG 19 2HG ARG 19 7.689 0.827 -22.764 162 2HG ARG 19 1HG ARG 19 6.298 0.429 -21.758 163 1HD ARG 19 2HD ARG 19 5.826 0.346 -24.684 164 2HD ARG 19 1HD ARG 19 6.896 -0.902 -24.046 165 HE ARG 19 HE ARG 19 5.009 -1.899 -23.049 166 1HH1 ARG 19 1HH1 ARG 19 3.653 0.239 -25.030 167 2HH1 ARG 19 2HH1 ARG 19 2.344 0.731 -24.007 168 1HH2 ARG 19 1HH2 ARG 19 3.657 -0.759 -21.163 169 2HH2 ARG 19 2HH2 ARG 19 2.346 0.166 -21.817 170 H LYS 20 H LYS 20 5.479 5.094 -22.841 171 HA LYS 20 HA LYS 20 5.517 5.794 -25.598 172 1HB LYS 20 3HB LYS 20 3.558 6.405 -24.469 173 2HB LYS 20 2HB LYS 20 4.450 7.064 -23.102 174 1HG LYS 20 2HG LYS 20 5.318 8.852 -24.721 175 2HG LYS 20 1HG LYS 20 4.078 8.282 -25.841 176 1HD LYS 20 2HD LYS 20 2.430 8.564 -23.904 177 2HD LYS 20 1HD LYS 20 3.708 9.475 -23.097 178 1HE LYS 20 2HE LYS 20 3.669 10.552 -25.662 179 2HE LYS 20 1HE LYS 20 1.962 10.289 -25.302 180 1HZ LYS 20 1HZ LYS 20 1.969 11.854 -23.724 181 2HZ LYS 20 2HZ LYS 20 3.376 12.418 -24.492 182 3HZ LYS 20 3HZ LYS 20 3.494 11.411 -23.127 183 H ILE 21 H ILE 21 7.500 6.637 -22.920 184 HA ILE 21 HA ILE 21 8.702 8.874 -24.424 185 HB ILE 21 HB ILE 21 8.354 8.198 -21.619 186 1HG1 ILE 21 2HG1 ILE 21 9.096 10.729 -21.557 187 2HG1 ILE 21 1HG1 ILE 21 8.886 10.612 -23.304 188 1HG2 ILE 21 1HG2 ILE 21 10.467 8.867 -20.739 189 2HG2 ILE 21 2HG2 ILE 21 11.076 9.272 -22.344 190 3HG2 ILE 21 3HG2 ILE 21 10.784 7.590 -21.911 191 1HD1 ILE 21 1HD1 ILE 21 6.597 9.657 -22.896 192 2HD1 ILE 21 2HD1 ILE 21 6.777 11.322 -22.343 193 3HD1 ILE 21 3HD1 ILE 21 6.814 9.994 -21.180 194 H LEU 22 H LEU 22 9.678 5.894 -22.805 195 HA LEU 22 HA LEU 22 12.384 5.827 -23.564 196 1HB LEU 22 3HB LEU 22 10.843 4.240 -22.126 197 2HB LEU 22 2HB LEU 22 10.721 3.353 -23.642 198 HG LEU 22 HG LEU 22 13.297 3.619 -23.729 199 1HD1 LEU 22 1HD1 LEU 22 13.920 4.986 -21.995 200 2HD1 LEU 22 2HD1 LEU 22 13.970 3.447 -21.135 201 3HD1 LEU 22 3HD1 LEU 22 12.560 4.496 -20.986 202 1HD2 LEU 22 1HD2 LEU 22 11.826 1.566 -23.298 203 2HD2 LEU 22 2HD2 LEU 22 12.184 1.818 -21.589 204 3HD2 LEU 22 3HD2 LEU 22 13.492 1.487 -22.726 205 H GLN 23 H GLN 23 9.499 5.289 -25.340 206 HA GLN 23 HA GLN 23 10.525 3.783 -27.523 207 1HB GLN 23 3HB GLN 23 8.589 4.575 -28.733 208 2HB GLN 23 2HB GLN 23 8.100 4.244 -27.075 209 1HG GLN 23 2HG GLN 23 8.506 6.635 -26.546 210 2HG GLN 23 1HG GLN 23 8.808 6.919 -28.255 211 1HE2 GLN 23 1HE2 GLN 23 6.837 8.405 -28.074 212 2HE2 GLN 23 2HE2 GLN 23 5.295 7.709 -28.207 213 H ALA 24 H ALA 24 10.326 7.080 -26.708 214 HA ALA 24 HA ALA 24 11.737 7.969 -29.120 215 1HB ALA 24 1HB ALA 24 11.371 10.241 -27.773 216 2HB ALA 24 2HB ALA 24 10.149 9.261 -26.961 217 3HB ALA 24 3HB ALA 24 10.070 9.501 -28.706 218 H PHE 25 H PHE 25 12.524 6.943 -25.999 219 HA PHE 25 HA PHE 25 15.247 7.980 -26.312 220 1HB PHE 25 3HB PHE 25 13.856 8.443 -23.675 221 2HB PHE 25 2HB PHE 25 15.351 9.164 -24.271 222 HD1 PHE 25 HD1 PHE 25 15.241 10.757 -26.254 223 HD2 PHE 25 HD2 PHE 25 11.757 9.468 -24.098 224 HE1 PHE 25 HE1 PHE 25 13.957 12.663 -27.187 225 HE2 PHE 25 HE2 PHE 25 10.474 11.372 -25.031 226 HZ PHE 25 HZ PHE 25 11.573 12.969 -26.577 227 HA PRO 26 HA PRO 26 14.850 3.670 -24.670 228 1HB PRO 26 3HB PRO 26 16.593 2.637 -26.526 229 2HB PRO 26 2HB PRO 26 14.842 2.742 -26.759 230 1HG PRO 26 2HG PRO 26 16.997 4.487 -27.901 231 2HG PRO 26 1HG PRO 26 15.443 4.010 -28.612 232 1HD PRO 26 2HD PRO 26 15.907 6.495 -27.439 233 2HD PRO 26 1HD PRO 26 14.308 5.759 -27.616 234 H ASP 27 H ASP 27 17.171 6.078 -24.979 235 HA ASP 27 HA ASP 27 19.344 4.542 -23.685 236 1HB ASP 27 3HB ASP 27 20.615 6.602 -23.980 237 2HB ASP 27 2HB ASP 27 19.826 6.211 -25.500 238 H MET 28 H MET 28 17.111 7.161 -23.251 239 HA MET 28 HA MET 28 17.805 7.936 -20.599 240 1HB MET 28 3HB MET 28 16.032 8.874 -22.443 241 2HB MET 28 2HB MET 28 14.971 8.091 -21.277 242 1HG MET 28 2HG MET 28 15.736 9.404 -19.492 243 2HG MET 28 1HG MET 28 17.183 9.898 -20.364 244 1HE MET 28 1HE MET 28 15.415 10.993 -23.465 245 2HE MET 28 2HE MET 28 16.927 10.529 -22.688 246 3HE MET 28 3HE MET 28 16.496 12.233 -22.819 247 H HIS 29 H HIS 29 18.144 6.059 -19.470 248 HA HIS 29 HA HIS 29 16.116 4.000 -19.351 249 1HB HIS 29 3HB HIS 29 17.632 2.796 -18.017 250 2HB HIS 29 2HB HIS 29 18.645 3.721 -19.124 251 HD1 HIS 29 HD1 HIS 29 19.627 2.760 -16.288 252 HD2 HIS 29 HD2 HIS 29 18.153 6.565 -17.146 253 HE1 HIS 29 HE1 HIS 29 20.576 4.309 -14.525 254 H ASN 30 H ASN 30 15.918 3.233 -16.760 255 HA ASN 30 HA ASN 30 13.796 4.725 -15.727 256 1HB ASN 30 3HB ASN 30 15.752 3.127 -14.060 257 2HB ASN 30 2HB ASN 30 14.065 3.469 -13.680 258 1HD2 ASN 30 1HD2 ASN 30 14.474 0.839 -13.678 259 2HD2 ASN 30 2HD2 ASN 30 13.983 0.089 -15.120 260 H SER 31 H SER 31 16.962 4.642 -14.058 261 HA SER 31 HA SER 31 16.702 6.644 -12.259 262 1HB SER 31 3HB SER 31 18.870 5.404 -13.428 263 2HB SER 31 2HB SER 31 19.145 7.114 -13.725 264 HG SER 31 HG SER 31 19.949 6.767 -11.730 265 H ASN 32 H ASN 32 16.851 7.167 -15.731 266 HA ASN 32 HA ASN 32 16.789 10.096 -15.272 267 1HB ASN 32 3HB ASN 32 17.672 8.364 -17.437 268 2HB ASN 32 2HB ASN 32 16.733 9.746 -17.988 269 1HD2 ASN 32 1HD2 ASN 32 19.367 9.835 -18.728 270 2HD2 ASN 32 2HD2 ASN 32 20.239 10.930 -17.767 271 H ILE 33 H ILE 33 15.009 7.609 -17.100 272 HA ILE 33 HA ILE 33 12.834 9.185 -17.944 273 HB ILE 33 HB ILE 33 12.898 6.298 -17.036 274 1HG1 ILE 33 2HG1 ILE 33 14.246 7.215 -19.083 275 2HG1 ILE 33 1HG1 ILE 33 13.278 5.755 -19.287 276 1HG2 ILE 33 1HG2 ILE 33 10.772 6.185 -18.485 277 2HG2 ILE 33 2HG2 ILE 33 10.716 7.941 -18.329 278 3HG2 ILE 33 3HG2 ILE 33 10.610 6.925 -16.891 279 1HD1 ILE 33 1HD1 ILE 33 11.537 6.931 -20.383 280 2HD1 ILE 33 2HD1 ILE 33 13.022 7.565 -21.092 281 3HD1 ILE 33 3HD1 ILE 33 12.159 8.499 -19.869 282 H SER 34 H SER 34 13.517 7.717 -14.833 283 HA SER 34 HA SER 34 11.087 7.929 -13.494 284 1HB SER 34 3HB SER 34 13.870 7.816 -12.797 285 2HB SER 34 2HB SER 34 13.048 8.962 -11.743 286 HG SER 34 HG SER 34 12.789 6.961 -10.832 287 H LYS 35 H LYS 35 13.480 10.515 -14.043 288 HA LYS 35 HA LYS 35 11.954 12.501 -12.648 289 1HB LYS 35 3HB LYS 35 14.014 12.897 -14.840 290 2HB LYS 35 2HB LYS 35 13.477 14.113 -13.678 291 1HG LYS 35 2HG LYS 35 14.223 12.262 -11.921 292 2HG LYS 35 1HG LYS 35 15.252 11.741 -13.256 293 1HD LYS 35 2HD LYS 35 16.678 13.431 -12.852 294 2HD LYS 35 1HD LYS 35 15.374 14.603 -13.052 295 1HE LYS 35 2HE LYS 35 16.507 14.664 -10.789 296 2HE LYS 35 1HE LYS 35 14.760 14.436 -10.732 297 1HZ LYS 35 1HZ LYS 35 16.447 12.888 -9.422 298 2HZ LYS 35 2HZ LYS 35 16.391 12.027 -10.885 299 3HZ LYS 35 3HZ LYS 35 14.962 12.321 -10.012 300 H ILE 36 H ILE 36 11.922 11.112 -15.798 301 HA ILE 36 HA ILE 36 10.384 13.191 -17.054 302 HB ILE 36 HB ILE 36 11.113 10.410 -17.761 303 1HG1 ILE 36 2HG1 ILE 36 11.918 11.733 -19.839 304 2HG1 ILE 36 1HG1 ILE 36 11.617 13.167 -18.856 305 1HG2 ILE 36 1HG2 ILE 36 8.749 10.690 -18.455 306 2HG2 ILE 36 2HG2 ILE 36 9.827 10.584 -19.847 307 3HG2 ILE 36 3HG2 ILE 36 9.200 12.151 -19.334 308 1HD1 ILE 36 1HD1 ILE 36 13.085 11.147 -17.368 309 2HD1 ILE 36 2HD1 ILE 36 13.493 12.838 -17.653 310 3HD1 ILE 36 3HD1 ILE 36 13.937 11.611 -18.840 311 H LEU 37 H LEU 37 9.578 9.904 -16.014 312 HA LEU 37 HA LEU 37 6.791 9.979 -16.337 313 1HB LEU 37 3HB LEU 37 8.577 8.670 -14.299 314 2HB LEU 37 2HB LEU 37 6.833 8.471 -14.263 315 HG LEU 37 HG LEU 37 8.768 7.615 -16.407 316 1HD1 LEU 37 1HD1 LEU 37 6.779 5.718 -15.767 317 2HD1 LEU 37 2HD1 LEU 37 7.303 6.426 -14.241 318 3HD1 LEU 37 3HD1 LEU 37 8.482 5.679 -15.318 319 1HD2 LEU 37 1HD2 LEU 37 5.855 8.282 -16.622 320 2HD2 LEU 37 2HD2 LEU 37 6.410 6.815 -17.428 321 3HD2 LEU 37 3HD2 LEU 37 7.117 8.375 -17.850 322 H GLY 38 H GLY 38 8.541 10.454 -13.295 323 1HA GLY 38 2HA GLY 38 6.377 11.482 -11.786 324 2HA GLY 38 1HA GLY 38 8.075 11.762 -11.405 325 H SER 39 H SER 39 8.119 12.944 -14.319 326 HA SER 39 HA SER 39 7.301 15.635 -13.416 327 1HB SER 39 3HB SER 39 9.653 15.452 -14.153 328 2HB SER 39 2HB SER 39 9.117 14.800 -15.700 329 HG SER 39 HG SER 39 8.836 17.395 -14.639 330 H ARG 40 H ARG 40 6.548 13.027 -15.427 331 HA ARG 40 HA ARG 40 4.972 14.598 -17.325 332 1HB ARG 40 3HB ARG 40 5.657 11.736 -16.893 333 2HB ARG 40 2HB ARG 40 4.445 12.209 -18.057 334 1HG ARG 40 2HG ARG 40 7.162 13.482 -18.026 335 2HG ARG 40 1HG ARG 40 6.888 11.965 -18.865 336 1HD ARG 40 2HD ARG 40 5.303 12.946 -20.341 337 2HD ARG 40 1HD ARG 40 5.167 14.394 -19.347 338 HE ARG 40 HE ARG 40 6.871 14.352 -21.460 339 1HH1 ARG 40 1HH1 ARG 40 6.968 15.722 -18.482 340 2HH1 ARG 40 2HH1 ARG 40 8.692 15.834 -18.353 341 1HH2 ARG 40 1HH2 ARG 40 9.297 13.832 -21.119 342 2HH2 ARG 40 2HH2 ARG 40 10.010 14.764 -19.846 343 H TRP 41 H TRP 41 4.807 12.590 -14.528 344 HA TRP 41 HA TRP 41 1.998 12.194 -14.322 345 1HB TRP 41 3HB TRP 41 3.821 10.989 -13.072 346 2HB TRP 41 2HB TRP 41 4.030 12.443 -12.108 347 HD1 TRP 41 HD1 TRP 41 2.605 12.507 -10.000 348 HE1 TRP 41 HE1 TRP 41 0.393 11.382 -9.216 349 HE3 TRP 41 HE3 TRP 41 1.383 10.041 -14.226 350 HZ2 TRP 41 HZ2 TRP 41 -1.631 9.634 -10.315 351 HZ3 TRP 41 HZ3 TRP 41 -0.664 8.651 -14.350 352 HH2 TRP 41 HH2 TRP 41 -2.167 8.468 -12.457 353 H LYS 42 H LYS 42 4.103 14.393 -12.438 354 HA LYS 42 HA LYS 42 1.967 15.842 -11.278 355 1HB LYS 42 3HB LYS 42 4.803 16.682 -11.961 356 2HB LYS 42 2HB LYS 42 3.691 17.702 -11.047 357 1HG LYS 42 2HG LYS 42 3.551 15.163 -9.835 358 2HG LYS 42 1HG LYS 42 5.265 15.449 -10.131 359 1HD LYS 42 2HD LYS 42 4.037 17.872 -9.162 360 2HD LYS 42 1HD LYS 42 3.681 16.543 -8.059 361 1HE LYS 42 2HE LYS 42 5.863 16.304 -7.433 362 2HE LYS 42 1HE LYS 42 6.468 16.651 -9.052 363 1HZ LYS 42 1HZ LYS 42 5.190 18.865 -7.684 364 2HZ LYS 42 2HZ LYS 42 6.597 18.839 -8.635 365 3HZ LYS 42 3HZ LYS 42 6.657 18.346 -7.010 366 H ALA 43 H ALA 43 3.290 15.748 -14.419 367 HA ALA 43 HA ALA 43 2.172 18.279 -15.254 368 1HB ALA 43 1HB ALA 43 3.223 17.741 -17.405 369 2HB ALA 43 2HB ALA 43 3.586 16.118 -16.819 370 3HB ALA 43 3HB ALA 43 4.368 17.517 -16.082 371 H MET 44 H MET 44 0.458 15.801 -14.436 372 HA MET 44 HA MET 44 -0.877 15.266 -17.002 373 1HB MET 44 3HB MET 44 -2.204 13.635 -15.741 374 2HB MET 44 2HB MET 44 -0.488 13.362 -15.496 375 1HG MET 44 2HG MET 44 -0.632 13.805 -13.281 376 2HG MET 44 1HG MET 44 -1.690 15.191 -13.531 377 1HE MET 44 1HE MET 44 -2.503 11.797 -15.228 378 2HE MET 44 2HE MET 44 -3.110 10.829 -13.886 379 3HE MET 44 3HE MET 44 -1.432 11.365 -13.886 380 H THR 45 H THR 45 -3.370 15.016 -14.902 381 HA THR 45 HA THR 45 -4.013 17.911 -14.849 382 HB THR 45 HB THR 45 -6.318 16.884 -15.900 383 HG1 THR 45 HG1 THR 45 -5.844 15.388 -17.343 384 1HG2 THR 45 1HG2 THR 45 -3.923 18.259 -17.098 385 2HG2 THR 45 2HG2 THR 45 -5.504 18.939 -16.710 386 3HG2 THR 45 3HG2 THR 45 -5.320 17.869 -18.100 387 H ASN 46 H ASN 46 -3.808 15.421 -13.001 388 HA ASN 46 HA ASN 46 -4.850 14.774 -11.002 389 1HB ASN 46 3HB ASN 46 -5.883 17.454 -11.553 390 2HB ASN 46 2HB ASN 46 -7.034 16.456 -10.665 391 1HD2 ASN 46 1HD2 ASN 46 -6.787 16.976 -8.480 392 2HD2 ASN 46 2HD2 ASN 46 -5.298 17.094 -7.676 393 H LEU 47 H LEU 47 -7.434 15.954 -13.167 394 HA LEU 47 HA LEU 47 -9.323 13.937 -12.478 395 1HB LEU 47 3HB LEU 47 -9.871 16.038 -13.716 396 2HB LEU 47 2HB LEU 47 -9.057 15.376 -15.135 397 HG LEU 47 HG LEU 47 -10.944 13.464 -14.034 398 1HD1 LEU 47 1HD1 LEU 47 -11.780 16.204 -13.961 399 2HD1 LEU 47 2HD1 LEU 47 -12.729 14.761 -13.604 400 3HD1 LEU 47 3HD1 LEU 47 -12.660 15.387 -15.251 401 1HD2 LEU 47 1HD2 LEU 47 -11.427 14.727 -16.663 402 2HD2 LEU 47 2HD2 LEU 47 -11.229 13.024 -16.252 403 3HD2 LEU 47 3HD2 LEU 47 -9.811 14.052 -16.452 404 H GLU 48 H GLU 48 -6.666 13.971 -14.785 405 HA GLU 48 HA GLU 48 -7.447 11.534 -16.141 406 1HB GLU 48 3HB GLU 48 -5.317 13.456 -16.305 407 2HB GLU 48 2HB GLU 48 -4.624 11.835 -16.243 408 1HG GLU 48 2HG GLU 48 -5.047 12.298 -18.558 409 2HG GLU 48 1HG GLU 48 -6.306 11.177 -18.036 410 H LYS 49 H LYS 49 -6.423 12.105 -13.012 411 HA LYS 49 HA LYS 49 -4.792 9.678 -12.701 412 1HB LYS 49 3HB LYS 49 -5.175 12.070 -11.250 413 2HB LYS 49 2HB LYS 49 -5.771 10.774 -10.213 414 1HG LYS 49 2HG LYS 49 -3.697 9.648 -10.225 415 2HG LYS 49 1HG LYS 49 -3.127 10.535 -11.640 416 1HD LYS 49 2HD LYS 49 -2.206 12.087 -10.303 417 2HD LYS 49 1HD LYS 49 -3.793 12.439 -9.619 418 1HE LYS 49 2HE LYS 49 -3.307 10.186 -8.273 419 2HE LYS 49 1HE LYS 49 -1.634 10.657 -8.576 420 1HZ LYS 49 1HZ LYS 49 -2.805 11.537 -6.485 421 2HZ LYS 49 2HZ LYS 49 -3.577 12.619 -7.545 422 3HZ LYS 49 3HZ LYS 49 -1.884 12.619 -7.410 423 H GLN 50 H GLN 50 -8.130 10.543 -12.500 424 HA GLN 50 HA GLN 50 -9.079 8.640 -10.631 425 1HB GLN 50 3HB GLN 50 -10.628 9.386 -13.097 426 2HB GLN 50 2HB GLN 50 -11.216 9.105 -11.461 427 1HG GLN 50 2HG GLN 50 -9.331 11.190 -11.252 428 2HG GLN 50 1HG GLN 50 -10.329 11.570 -12.656 429 1HE2 GLN 50 1HE2 GLN 50 -10.395 12.943 -10.019 430 2HE2 GLN 50 2HE2 GLN 50 -11.973 12.744 -9.426 431 HA PRO 51 HA PRO 51 -9.678 5.645 -14.318 432 1HB PRO 51 3HB PRO 51 -8.185 6.117 -16.564 433 2HB PRO 51 2HB PRO 51 -9.822 6.722 -16.304 434 1HG PRO 51 2HG PRO 51 -7.245 8.209 -16.177 435 2HG PRO 51 1HG PRO 51 -8.865 8.804 -16.578 436 1HD PRO 51 2HD PRO 51 -7.558 9.120 -14.102 437 2HD PRO 51 1HD PRO 51 -9.288 9.389 -14.402 438 H TYR 52 H TYR 52 -6.335 6.954 -14.277 439 HA TYR 52 HA TYR 52 -5.152 4.306 -14.526 440 1HB TYR 52 3HB TYR 52 -3.769 6.648 -13.233 441 2HB TYR 52 2HB TYR 52 -3.074 5.366 -14.229 442 HD1 TYR 52 HD1 TYR 52 -5.106 5.302 -16.421 443 HD2 TYR 52 HD2 TYR 52 -3.169 8.582 -14.451 444 HE1 TYR 52 HE1 TYR 52 -5.432 6.696 -18.433 445 HE2 TYR 52 HE2 TYR 52 -3.490 9.982 -16.459 446 HH TYR 52 HH TYR 52 -5.528 9.019 -19.067 447 H TYR 53 H TYR 53 -6.830 5.876 -12.097 448 HA TYR 53 HA TYR 53 -5.316 4.752 -9.862 449 1HB TYR 53 3HB TYR 53 -7.392 6.705 -10.233 450 2HB TYR 53 2HB TYR 53 -7.892 5.534 -9.018 451 HD1 TYR 53 HD1 TYR 53 -6.682 8.613 -9.023 452 HD2 TYR 53 HD2 TYR 53 -5.343 4.713 -7.841 453 HE1 TYR 53 HE1 TYR 53 -5.134 9.639 -7.385 454 HE2 TYR 53 HE2 TYR 53 -3.792 5.734 -6.203 455 HH TYR 53 HH TYR 53 -2.614 8.276 -6.125 456 H GLU 54 H GLU 54 -8.489 4.167 -11.362 457 HA GLU 54 HA GLU 54 -9.079 1.876 -9.750 458 1HB GLU 54 3HB GLU 54 -10.131 2.990 -12.296 459 2HB GLU 54 2HB GLU 54 -10.643 1.390 -11.787 460 1HG GLU 54 2HG GLU 54 -10.754 3.185 -9.542 461 2HG GLU 54 1HG GLU 54 -11.637 3.895 -10.893 462 H GLU 55 H GLU 55 -7.335 2.367 -12.745 463 HA GLU 55 HA GLU 55 -7.167 -0.384 -13.523 464 1HB GLU 55 3HB GLU 55 -5.875 2.147 -14.248 465 2HB GLU 55 2HB GLU 55 -4.912 0.709 -14.560 466 1HG GLU 55 2HG GLU 55 -7.475 0.035 -15.429 467 2HG GLU 55 1HG GLU 55 -7.267 1.702 -15.961 468 H GLN 56 H GLN 56 -5.749 1.363 -10.962 469 HA GLN 56 HA GLN 56 -3.363 -0.343 -10.788 470 1HB GLN 56 3HB GLN 56 -2.604 1.167 -9.268 471 2HB GLN 56 2HB GLN 56 -3.820 2.200 -9.979 472 1HG GLN 56 2HG GLN 56 -5.329 1.795 -8.160 473 2HG GLN 56 1HG GLN 56 -4.356 0.456 -7.560 474 1HE2 GLN 56 1HE2 GLN 56 -2.429 0.946 -6.350 475 2HE2 GLN 56 2HE2 GLN 56 -2.069 2.520 -5.824 476 H ALA 57 H ALA 57 -6.215 0.270 -8.812 477 HA ALA 57 HA ALA 57 -5.889 -1.811 -6.961 478 1HB ALA 57 1HB ALA 57 -7.699 -0.600 -6.286 479 2HB ALA 57 2HB ALA 57 -8.611 -1.742 -7.272 480 3HB ALA 57 3HB ALA 57 -8.144 -0.179 -7.940 481 H ARG 58 H ARG 58 -7.077 -1.884 -10.280 482 HA ARG 58 HA ARG 58 -8.103 -4.585 -10.114 483 1HB ARG 58 3HB ARG 58 -8.929 -4.100 -12.153 484 2HB ARG 58 2HB ARG 58 -8.206 -2.506 -11.990 485 1HG ARG 58 2HG ARG 58 -7.455 -3.408 -14.081 486 2HG ARG 58 1HG ARG 58 -6.084 -3.485 -12.983 487 1HD ARG 58 2HD ARG 58 -5.959 -5.708 -13.309 488 2HD ARG 58 1HD ARG 58 -7.584 -5.887 -12.650 489 HE ARG 58 HE ARG 58 -6.889 -6.087 -15.432 490 1HH1 ARG 58 1HH1 ARG 58 -9.414 -6.865 -13.678 491 2HH1 ARG 58 2HH1 ARG 58 -10.642 -6.078 -14.611 492 1HH2 ARG 58 1HH2 ARG 58 -8.399 -4.190 -16.462 493 2HH2 ARG 58 2HH2 ARG 58 -10.068 -4.563 -16.186 494 H LEU 59 H LEU 59 -5.094 -3.216 -11.441 495 HA LEU 59 HA LEU 59 -3.935 -5.776 -12.027 496 1HB LEU 59 3HB LEU 59 -1.774 -4.475 -12.096 497 2HB LEU 59 2HB LEU 59 -3.034 -3.841 -13.142 498 HG LEU 59 HG LEU 59 -3.616 -2.295 -11.126 499 1HD1 LEU 59 1HD1 LEU 59 -2.286 -3.301 -9.399 500 2HD1 LEU 59 2HD1 LEU 59 -1.501 -1.777 -9.803 501 3HD1 LEU 59 3HD1 LEU 59 -0.846 -3.295 -10.417 502 1HD2 LEU 59 1HD2 LEU 59 -1.031 -1.979 -12.679 503 2HD2 LEU 59 2HD2 LEU 59 -1.904 -0.672 -11.879 504 3HD2 LEU 59 3HD2 LEU 59 -2.636 -1.517 -13.243 505 H SER 60 H SER 60 -4.561 -4.175 -9.115 506 HA SER 60 HA SER 60 -2.312 -5.283 -7.605 507 1HB SER 60 3HB SER 60 -4.907 -3.954 -6.775 508 2HB SER 60 2HB SER 60 -3.702 -4.524 -5.625 509 HG SER 60 HG SER 60 -3.541 -2.259 -6.304 510 H LYS 61 H LYS 61 -5.630 -6.107 -8.368 511 HA LYS 61 HA LYS 61 -5.924 -8.251 -6.478 512 1HB LYS 61 3HB LYS 61 -7.673 -6.978 -8.013 513 2HB LYS 61 2HB LYS 61 -7.307 -8.289 -9.134 514 1HG LYS 61 2HG LYS 61 -8.933 -9.399 -7.978 515 2HG LYS 61 1HG LYS 61 -7.637 -9.689 -6.816 516 1HD LYS 61 2HD LYS 61 -8.440 -8.136 -5.320 517 2HD LYS 61 1HD LYS 61 -9.110 -7.107 -6.586 518 1HE LYS 61 2HE LYS 61 -10.552 -9.507 -6.775 519 2HE LYS 61 1HE LYS 61 -10.414 -9.196 -5.044 520 1HZ LYS 61 1HZ LYS 61 -12.115 -7.964 -6.855 521 2HZ LYS 61 2HZ LYS 61 -10.973 -6.790 -6.403 522 3HZ LYS 61 3HZ LYS 61 -11.896 -7.582 -5.217 523 H GLN 62 H GLN 62 -5.018 -8.186 -9.919 524 HA GLN 62 HA GLN 62 -4.476 -11.046 -9.995 525 1HB GLN 62 3HB GLN 62 -3.348 -9.068 -11.963 526 2HB GLN 62 2HB GLN 62 -3.919 -10.713 -12.251 527 1HG GLN 62 2HG GLN 62 -6.189 -9.545 -11.293 528 2HG GLN 62 1HG GLN 62 -5.444 -8.182 -12.128 529 1HE2 GLN 62 1HE2 GLN 62 -4.269 -9.293 -14.352 530 2HE2 GLN 62 2HE2 GLN 62 -5.418 -10.101 -15.306 531 H HIS 63 H HIS 63 -2.593 -8.115 -9.476 532 HA HIS 63 HA HIS 63 0.008 -9.302 -9.704 533 1HB HIS 63 3HB HIS 63 -0.311 -6.872 -9.715 534 2HB HIS 63 2HB HIS 63 -0.915 -6.929 -8.061 535 HD1 HIS 63 HD1 HIS 63 1.780 -9.319 -8.551 536 HD2 HIS 63 HD2 HIS 63 1.536 -5.270 -7.591 537 HE1 HIS 63 HE1 HIS 63 4.029 -8.678 -7.574 538 H LEU 64 H LEU 64 -1.593 -8.257 -6.701 539 HA LEU 64 HA LEU 64 0.033 -9.578 -4.885 540 1HB LEU 64 3HB LEU 64 -2.780 -8.682 -4.893 541 2HB LEU 64 2HB LEU 64 -2.416 -9.949 -3.722 542 HG LEU 64 HG LEU 64 -0.657 -7.512 -3.996 543 1HD1 LEU 64 1HD1 LEU 64 -3.149 -7.870 -2.308 544 2HD1 LEU 64 2HD1 LEU 64 -2.853 -6.624 -3.522 545 3HD1 LEU 64 3HD1 LEU 64 -1.940 -6.620 -2.013 546 1HD2 LEU 64 1HD2 LEU 64 -0.009 -8.126 -1.716 547 2HD2 LEU 64 2HD2 LEU 64 0.178 -9.523 -2.775 548 3HD2 LEU 64 3HD2 LEU 64 -1.212 -9.414 -1.696 549 H GLU 65 H GLU 65 -2.625 -10.968 -6.768 550 HA GLU 65 HA GLU 65 -2.730 -13.502 -5.553 551 1HB GLU 65 3HB GLU 65 -3.285 -12.494 -8.323 552 2HB GLU 65 2HB GLU 65 -3.280 -14.234 -8.030 553 1HG GLU 65 2HG GLU 65 -4.738 -13.144 -5.893 554 2HG GLU 65 1HG GLU 65 -5.291 -12.271 -7.321 555 H LYS 66 H LYS 66 -0.271 -12.028 -7.452 556 HA LYS 66 HA LYS 66 1.009 -14.486 -8.333 557 1HB LYS 66 3HB LYS 66 2.001 -11.627 -8.143 558 2HB LYS 66 2HB LYS 66 2.901 -12.944 -8.884 559 1HG LYS 66 2HG LYS 66 0.356 -13.096 -10.040 560 2HG LYS 66 1HG LYS 66 0.723 -11.372 -9.987 561 1HD LYS 66 2HD LYS 66 2.960 -11.888 -11.019 562 2HD LYS 66 1HD LYS 66 2.424 -13.556 -11.221 563 1HE LYS 66 2HE LYS 66 0.700 -12.933 -12.733 564 2HE LYS 66 1HE LYS 66 0.821 -11.231 -12.293 565 1HZ LYS 66 1HZ LYS 66 2.661 -12.852 -13.929 566 2HZ LYS 66 2HZ LYS 66 3.214 -11.447 -13.148 567 3HZ LYS 66 3HZ LYS 66 1.957 -11.351 -14.287 568 H TYR 67 H TYR 67 1.705 -12.050 -5.833 569 HA TYR 67 HA TYR 67 3.059 -14.196 -4.262 570 1HB TYR 67 3HB TYR 67 4.179 -11.419 -4.208 571 2HB TYR 67 2HB TYR 67 4.984 -12.955 -3.889 572 HD1 TYR 67 HD1 TYR 67 3.542 -10.829 -6.587 573 HD2 TYR 67 HD2 TYR 67 6.067 -14.169 -5.626 574 HE1 TYR 67 HE1 TYR 67 4.330 -10.911 -8.937 575 HE2 TYR 67 HE2 TYR 67 6.854 -14.251 -7.976 576 HH TYR 67 HH TYR 67 5.530 -13.259 -10.391 577 HA PRO 68 HA PRO 68 0.032 -11.746 -1.777 578 1HB PRO 68 3HB PRO 68 -1.464 -13.910 -1.010 579 2HB PRO 68 2HB PRO 68 -1.780 -12.982 -2.484 580 1HG PRO 68 2HG PRO 68 -0.558 -15.685 -2.198 581 2HG PRO 68 1HG PRO 68 -1.444 -14.995 -3.567 582 1HD PRO 68 2HD PRO 68 1.371 -15.255 -3.368 583 2HD PRO 68 1HD PRO 68 0.491 -14.292 -4.574 584 H ASP 69 H ASP 69 0.436 -15.090 -0.695 585 HA ASP 69 HA ASP 69 1.184 -14.235 1.965 586 1HB ASP 69 3HB ASP 69 -0.198 -16.276 1.508 587 2HB ASP 69 2HB ASP 69 1.232 -17.026 0.797 588 H TYR 70 H TYR 70 3.081 -13.144 0.393 589 HA TYR 70 HA TYR 70 5.316 -14.755 -0.234 590 1HB TYR 70 3HB TYR 70 6.510 -12.737 -0.566 591 2HB TYR 70 2HB TYR 70 4.840 -12.344 -0.954 592 HD1 TYR 70 HD1 TYR 70 7.426 -10.737 0.246 593 HD2 TYR 70 HD2 TYR 70 3.640 -12.083 1.762 594 HE1 TYR 70 HE1 TYR 70 7.468 -8.942 1.953 595 HE2 TYR 70 HE2 TYR 70 3.684 -10.289 3.466 596 HH TYR 70 HH TYR 70 6.511 -8.192 3.849 Start of MODEL 10 1 HA PRO 1 HA PRO 1 12.656 -9.012 -3.998 2 1HB PRO 1 3HB PRO 1 13.876 -6.505 -3.342 3 2HB PRO 1 2HB PRO 1 13.701 -7.935 -2.313 4 1HG PRO 1 2HG PRO 1 16.100 -6.931 -3.422 5 2HG PRO 1 1HG PRO 1 15.864 -8.461 -2.578 6 1HD PRO 1 2HD PRO 1 16.244 -7.993 -5.418 7 2HD PRO 1 1HD PRO 1 16.336 -9.507 -4.510 8 H HIS 2 H HIS 2 12.724 -8.525 -6.816 9 HA HIS 2 HA HIS 2 12.406 -5.981 -7.812 10 1HB HIS 2 3HB HIS 2 10.446 -6.940 -9.174 11 2HB HIS 2 2HB HIS 2 11.990 -7.783 -9.307 12 HD1 HIS 2 HD1 HIS 2 12.205 -10.093 -8.124 13 HD2 HIS 2 HD2 HIS 2 8.415 -8.387 -7.810 14 HE1 HIS 2 HE1 HIS 2 10.669 -11.913 -7.264 15 H ILE 3 H ILE 3 11.619 -4.410 -6.398 16 HA ILE 3 HA ILE 3 9.027 -4.856 -5.059 17 HB ILE 3 HB ILE 3 10.486 -2.232 -5.012 18 1HG1 ILE 3 2HG1 ILE 3 11.301 -4.779 -3.586 19 2HG1 ILE 3 1HG1 ILE 3 12.275 -3.845 -4.720 20 1HG2 ILE 3 1HG2 ILE 3 8.380 -3.574 -3.553 21 2HG2 ILE 3 2HG2 ILE 3 8.918 -1.899 -3.428 22 3HG2 ILE 3 3HG2 ILE 3 9.695 -3.149 -2.457 23 1HD1 ILE 3 1HD1 ILE 3 11.272 -2.851 -2.036 24 2HD1 ILE 3 2HD1 ILE 3 12.261 -1.930 -3.169 25 3HD1 ILE 3 3HD1 ILE 3 12.923 -3.363 -2.384 26 H LYS 4 H LYS 4 8.680 -4.907 -7.780 27 HA LYS 4 HA LYS 4 8.010 -2.299 -8.860 28 1HB LYS 4 3HB LYS 4 8.293 -4.863 -9.901 29 2HB LYS 4 2HB LYS 4 6.559 -4.563 -10.018 30 1HG LYS 4 2HG LYS 4 7.373 -3.669 -12.032 31 2HG LYS 4 1HG LYS 4 7.267 -2.248 -10.991 32 1HD LYS 4 2HD LYS 4 9.531 -1.996 -10.884 33 2HD LYS 4 1HD LYS 4 9.819 -3.736 -10.825 34 1HE LYS 4 2HE LYS 4 10.632 -2.605 -12.941 35 2HE LYS 4 1HE LYS 4 9.516 -3.946 -13.204 36 1HZ LYS 4 1HZ LYS 4 9.027 -1.891 -14.505 37 2HZ LYS 4 2HZ LYS 4 8.651 -1.115 -13.041 38 3HZ LYS 4 3HZ LYS 4 7.737 -2.452 -13.558 39 H ARG 5 H ARG 5 6.851 -1.989 -6.577 40 HA ARG 5 HA ARG 5 4.108 -3.063 -6.566 41 1HB ARG 5 3HB ARG 5 3.914 -1.987 -4.394 42 2HB ARG 5 2HB ARG 5 5.441 -2.866 -4.470 43 1HG ARG 5 2HG ARG 5 6.391 -0.579 -5.351 44 2HG ARG 5 1HG ARG 5 4.957 0.096 -4.576 45 1HD ARG 5 2HD ARG 5 6.482 -1.871 -2.966 46 2HD ARG 5 1HD ARG 5 7.288 -0.331 -3.260 47 HE ARG 5 HE ARG 5 4.708 0.359 -2.458 48 1HH1 ARG 5 1HH2 ARG 5 7.576 -1.092 -1.248 49 2HH1 ARG 5 2HH2 ARG 5 7.107 -0.959 0.414 50 1HH2 ARG 5 1HH1 ARG 5 3.980 0.363 -0.301 51 2HH2 ARG 5 2HH1 ARG 5 5.070 -0.135 0.951 52 HA PRO 6 HA PRO 6 2.810 0.710 -8.672 53 1HB PRO 6 3HB PRO 6 0.364 -0.309 -9.401 54 2HB PRO 6 2HB PRO 6 1.855 -0.621 -10.308 55 1HG PRO 6 2HG PRO 6 0.337 -2.449 -8.511 56 2HG PRO 6 1HG PRO 6 1.420 -2.841 -9.857 57 1HD PRO 6 2HD PRO 6 2.068 -2.976 -7.096 58 2HD PRO 6 1HD PRO 6 3.207 -3.079 -8.450 59 H MET 7 H MET 7 2.740 1.558 -6.387 60 HA MET 7 HA MET 7 0.370 1.182 -4.788 61 1HB MET 7 3HB MET 7 2.865 2.735 -4.650 62 2HB MET 7 2HB MET 7 1.512 3.338 -3.706 63 1HG MET 7 2HG MET 7 1.409 0.658 -3.172 64 2HG MET 7 1HG MET 7 3.144 0.908 -3.336 65 1HE MET 7 1HE MET 7 4.544 2.803 -1.254 66 2HE MET 7 2HE MET 7 3.490 4.199 -1.457 67 3HE MET 7 3HE MET 7 3.909 3.212 -2.855 68 H ASN 8 H ASN 8 1.362 3.390 -7.288 69 HA ASN 8 HA ASN 8 -1.197 4.803 -6.904 70 1HB ASN 8 3HB ASN 8 0.647 6.173 -6.057 71 2HB ASN 8 2HB ASN 8 1.382 6.111 -7.642 72 1HD2 ASN 8 1HD2 ASN 8 1.092 8.565 -7.578 73 2HD2 ASN 8 2HD2 ASN 8 -0.419 9.200 -8.021 74 H ALA 9 H ALA 9 -1.853 5.984 -8.837 75 HA ALA 9 HA ALA 9 -1.833 4.301 -11.167 76 1HB ALA 9 1HB ALA 9 -2.906 6.967 -10.413 77 2HB ALA 9 2HB ALA 9 -3.742 5.574 -11.098 78 3HB ALA 9 3HB ALA 9 -2.758 6.611 -12.131 79 H PHE 10 H PHE 10 0.404 6.508 -9.976 80 HA PHE 10 HA PHE 10 1.370 7.652 -12.406 81 1HB PHE 10 3HB PHE 10 1.982 8.767 -10.499 82 2HB PHE 10 2HB PHE 10 2.358 7.294 -9.626 83 HD1 PHE 10 HD1 PHE 10 4.597 6.688 -9.350 84 HD2 PHE 10 HD2 PHE 10 3.493 9.252 -12.613 85 HE1 PHE 10 HE1 PHE 10 6.988 6.944 -9.954 86 HE2 PHE 10 HE2 PHE 10 5.876 9.503 -13.213 87 HZ PHE 10 HZ PHE 10 7.630 8.356 -11.890 88 H MET 11 H MET 11 2.802 5.063 -10.389 89 HA MET 11 HA MET 11 4.679 4.296 -12.407 90 1HB MET 11 3HB MET 11 3.435 2.612 -10.198 91 2HB MET 11 2HB MET 11 4.869 2.175 -11.129 92 1HG MET 11 2HG MET 11 5.594 4.649 -10.286 93 2HG MET 11 1HG MET 11 4.569 4.153 -8.939 94 1HE MET 11 1HE MET 11 6.031 4.407 -7.468 95 2HE MET 11 2HE MET 11 7.764 4.145 -7.647 96 3HE MET 11 3HE MET 11 6.789 2.970 -6.768 97 H VAL 12 H VAL 12 1.298 3.976 -12.061 98 HA VAL 12 HA VAL 12 1.039 1.645 -13.804 99 HB VAL 12 HB VAL 12 -0.875 3.607 -12.543 100 1HG1 VAL 12 1HG1 VAL 12 -2.080 3.327 -14.477 101 2HG1 VAL 12 2HG1 VAL 12 -2.609 1.888 -13.605 102 3HG1 VAL 12 3HG1 VAL 12 -1.352 1.761 -14.836 103 1HG2 VAL 12 1HG2 VAL 12 0.113 0.929 -11.984 104 2HG2 VAL 12 2HG2 VAL 12 -1.649 0.965 -12.056 105 3HG2 VAL 12 3HG2 VAL 12 -0.789 2.026 -10.940 106 H TRP 13 H TRP 13 0.389 5.102 -13.912 107 HA TRP 13 HA TRP 13 -0.261 4.981 -16.772 108 1HB TRP 13 3HB TRP 13 -1.401 6.734 -15.893 109 2HB TRP 13 2HB TRP 13 -0.273 6.917 -14.561 110 HD1 TRP 13 HD1 TRP 13 -1.360 8.474 -17.663 111 HE1 TRP 13 HE1 TRP 13 0.187 10.411 -18.263 112 HE3 TRP 13 HE3 TRP 13 2.553 7.590 -14.497 113 HZ2 TRP 13 HZ2 TRP 13 2.746 11.457 -17.587 114 HZ3 TRP 13 HZ3 TRP 13 4.534 9.063 -14.509 115 HH2 TRP 13 HH2 TRP 13 4.633 11.004 -16.045 116 H ALA 14 H ALA 14 2.478 5.756 -14.779 117 HA ALA 14 HA ALA 14 4.111 6.884 -16.867 118 1HB ALA 14 1HB ALA 14 4.241 6.997 -14.215 119 2HB ALA 14 2HB ALA 14 5.666 7.187 -15.224 120 3HB ALA 14 3HB ALA 14 5.330 5.634 -14.462 121 H LYS 15 H LYS 15 3.428 3.598 -15.852 122 HA LYS 15 HA LYS 15 5.828 2.432 -16.863 123 1HB LYS 15 3HB LYS 15 4.500 0.305 -16.914 124 2HB LYS 15 2HB LYS 15 4.400 1.144 -15.366 125 1HG LYS 15 2HG LYS 15 2.175 1.425 -15.574 126 2HG LYS 15 1HG LYS 15 2.350 2.076 -17.204 127 1HD LYS 15 2HD LYS 15 2.808 -0.836 -16.956 128 2HD LYS 15 1HD LYS 15 1.152 -0.304 -16.660 129 1HE LYS 15 2HE LYS 15 0.872 0.488 -18.816 130 2HE LYS 15 1HE LYS 15 2.593 0.810 -19.033 131 1HZ LYS 15 1HZ LYS 15 1.981 -1.966 -18.599 132 2HZ LYS 15 2HZ LYS 15 2.955 -1.240 -19.787 133 3HZ LYS 15 3HZ LYS 15 1.272 -1.337 -20.007 134 H ASP 16 H ASP 16 2.856 3.488 -18.303 135 HA ASP 16 HA ASP 16 3.661 2.327 -20.897 136 1HB ASP 16 3HB ASP 16 1.173 2.593 -19.778 137 2HB ASP 16 2HB ASP 16 1.254 4.041 -20.782 138 H GLU 17 H GLU 17 3.343 5.276 -19.121 139 HA GLU 17 HA GLU 17 3.781 7.097 -21.299 140 1HB GLU 17 3HB GLU 17 3.384 7.174 -18.467 141 2HB GLU 17 2HB GLU 17 4.786 8.162 -18.862 142 1HG GLU 17 2HG GLU 17 2.774 8.616 -20.829 143 2HG GLU 17 1HG GLU 17 2.031 8.750 -19.240 144 H ARG 18 H ARG 18 5.853 5.296 -19.083 145 HA ARG 18 HA ARG 18 8.294 6.607 -20.002 146 1HB ARG 18 3HB ARG 18 9.467 5.134 -18.564 147 2HB ARG 18 2HB ARG 18 7.949 5.417 -17.727 148 1HG ARG 18 2HG ARG 18 7.125 3.280 -18.216 149 2HG ARG 18 1HG ARG 18 8.205 3.067 -19.589 150 1HD ARG 18 2HD ARG 18 10.139 3.058 -17.985 151 2HD ARG 18 1HD ARG 18 8.967 3.033 -16.668 152 HE ARG 18 HE ARG 18 8.178 0.912 -18.233 153 1HH1 ARG 18 1HH2 ARG 18 9.296 0.296 -15.609 154 2HH1 ARG 18 2HH2 ARG 18 10.748 -0.573 -15.979 155 1HH2 ARG 18 1HH1 ARG 18 10.866 0.501 -19.274 156 2HH2 ARG 18 2HH1 ARG 18 11.636 -0.457 -18.054 157 H ARG 19 H ARG 19 6.461 3.686 -20.673 158 HA ARG 19 HA ARG 19 8.366 2.611 -22.530 159 1HB ARG 19 3HB ARG 19 6.891 0.886 -22.583 160 2HB ARG 19 2HB ARG 19 6.088 1.715 -21.270 161 1HG ARG 19 2HG ARG 19 4.307 1.469 -22.678 162 2HG ARG 19 1HG ARG 19 4.908 2.996 -23.292 163 1HD ARG 19 2HD ARG 19 5.576 2.087 -25.265 164 2HD ARG 19 1HD ARG 19 6.220 0.645 -24.479 165 HE ARG 19 HE ARG 19 3.730 -0.062 -24.322 166 1HH1 ARG 19 1HH1 ARG 19 5.429 1.278 -26.946 167 2HH1 ARG 19 2HH1 ARG 19 4.096 1.190 -28.051 168 1HH2 ARG 19 1HH2 ARG 19 1.831 0.138 -25.652 169 2HH2 ARG 19 2HH2 ARG 19 2.062 0.547 -27.319 170 H LYS 20 H LYS 20 5.625 4.790 -22.639 171 HA LYS 20 HA LYS 20 5.627 5.089 -25.496 172 1HB LYS 20 3HB LYS 20 3.748 5.645 -23.745 173 2HB LYS 20 2HB LYS 20 4.571 7.202 -23.652 174 1HG LYS 20 2HG LYS 20 3.650 7.851 -25.597 175 2HG LYS 20 1HG LYS 20 4.286 6.421 -26.412 176 1HD LYS 20 2HD LYS 20 2.331 5.242 -26.166 177 2HD LYS 20 1HD LYS 20 1.940 6.011 -24.627 178 1HE LYS 20 2HE LYS 20 1.644 8.168 -26.090 179 2HE LYS 20 1HE LYS 20 1.467 7.022 -27.419 180 1HZ LYS 20 1HZ LYS 20 -0.117 5.934 -25.562 181 2HZ LYS 20 2HZ LYS 20 -0.660 7.000 -26.768 182 3HZ LYS 20 3HZ LYS 20 -0.315 7.582 -25.209 183 H ILE 21 H ILE 21 7.515 6.340 -22.929 184 HA ILE 21 HA ILE 21 8.479 8.580 -24.596 185 HB ILE 21 HB ILE 21 8.180 8.152 -21.767 186 1HG1 ILE 21 2HG1 ILE 21 9.259 10.691 -22.216 187 2HG1 ILE 21 1HG1 ILE 21 8.409 10.295 -23.711 188 1HG2 ILE 21 1HG2 ILE 21 10.421 7.544 -21.439 189 2HG2 ILE 21 2HG2 ILE 21 10.449 9.290 -21.202 190 3HG2 ILE 21 3HG2 ILE 21 10.997 8.601 -22.727 191 1HD1 ILE 21 1HD1 ILE 21 6.679 9.408 -21.720 192 2HD1 ILE 21 2HD1 ILE 21 6.513 10.904 -22.640 193 3HD1 ILE 21 3HD1 ILE 21 7.319 10.917 -21.071 194 H LEU 22 H LEU 22 9.673 5.739 -22.913 195 HA LEU 22 HA LEU 22 12.372 5.812 -23.570 196 1HB LEU 22 3HB LEU 22 10.787 4.029 -22.395 197 2HB LEU 22 2HB LEU 22 10.897 3.265 -23.980 198 HG LEU 22 HG LEU 22 13.406 3.559 -23.817 199 1HD1 LEU 22 1HD1 LEU 22 12.591 4.217 -20.972 200 2HD1 LEU 22 2HD1 LEU 22 13.479 5.257 -22.084 201 3HD1 LEU 22 3HD1 LEU 22 14.234 3.794 -21.451 202 1HD2 LEU 22 1HD2 LEU 22 13.231 1.396 -23.284 203 2HD2 LEU 22 2HD2 LEU 22 11.598 1.685 -22.682 204 3HD2 LEU 22 3HD2 LEU 22 12.978 1.830 -21.593 205 H GLN 23 H GLN 23 9.609 5.089 -25.577 206 HA GLN 23 HA GLN 23 11.019 4.018 -27.818 207 1HB GLN 23 3HB GLN 23 9.002 4.563 -29.070 208 2HB GLN 23 2HB GLN 23 8.556 3.876 -27.513 209 1HG GLN 23 2HG GLN 23 8.369 6.166 -26.611 210 2HG GLN 23 1HG GLN 23 8.676 6.796 -28.223 211 1HE2 GLN 23 1HE2 GLN 23 6.927 3.903 -28.532 212 2HE2 GLN 23 2HE2 GLN 23 5.372 4.567 -28.666 213 H ALA 24 H ALA 24 10.111 7.091 -26.690 214 HA ALA 24 HA ALA 24 11.231 8.566 -28.943 215 1HB ALA 24 1HB ALA 24 9.707 9.208 -26.481 216 2HB ALA 24 2HB ALA 24 9.526 9.857 -28.111 217 3HB ALA 24 3HB ALA 24 10.804 10.463 -27.057 218 H PHE 25 H PHE 25 12.186 7.446 -25.813 219 HA PHE 25 HA PHE 25 14.897 8.522 -26.265 220 1HB PHE 25 3HB PHE 25 13.693 8.598 -23.497 221 2HB PHE 25 2HB PHE 25 15.115 9.445 -24.101 222 HD1 PHE 25 HD1 PHE 25 12.025 10.111 -22.928 223 HD2 PHE 25 HD2 PHE 25 14.323 10.785 -26.490 224 HE1 PHE 25 HE1 PHE 25 10.624 12.086 -23.453 225 HE2 PHE 25 HE2 PHE 25 12.921 12.761 -27.019 226 HZ PHE 25 HZ PHE 25 11.073 13.413 -25.499 227 HA PRO 26 HA PRO 26 14.658 4.020 -25.157 228 1HB PRO 26 3HB PRO 26 16.315 3.284 -27.231 229 2HB PRO 26 2HB PRO 26 14.550 3.359 -27.352 230 1HG PRO 26 2HG PRO 26 16.593 5.315 -28.360 231 2HG PRO 26 1HG PRO 26 15.022 4.878 -29.055 232 1HD PRO 26 2HD PRO 26 15.450 7.209 -27.605 233 2HD PRO 26 1HD PRO 26 13.876 6.420 -27.760 234 H ASP 27 H ASP 27 16.894 6.512 -25.195 235 HA ASP 27 HA ASP 27 19.108 4.823 -24.162 236 1HB ASP 27 3HB ASP 27 18.984 7.247 -25.691 237 2HB ASP 27 2HB ASP 27 19.861 7.530 -24.193 238 H MET 28 H MET 28 16.757 7.231 -23.402 239 HA MET 28 HA MET 28 17.692 8.053 -20.848 240 1HB MET 28 3HB MET 28 15.578 8.761 -22.448 241 2HB MET 28 2HB MET 28 14.804 7.903 -21.119 242 1HG MET 28 2HG MET 28 15.677 9.347 -19.499 243 2HG MET 28 1HG MET 28 16.929 9.951 -20.580 244 1HE MET 28 1HE MET 28 16.155 10.547 -22.954 245 2HE MET 28 2HE MET 28 16.499 12.135 -22.273 246 3HE MET 28 3HE MET 28 15.038 11.891 -23.226 247 H HIS 29 H HIS 29 18.371 6.264 -19.810 248 HA HIS 29 HA HIS 29 16.911 3.840 -19.612 249 1HB HIS 29 3HB HIS 29 18.561 3.213 -17.994 250 2HB HIS 29 2HB HIS 29 19.352 4.180 -19.238 251 HD1 HIS 29 HD1 HIS 29 20.538 4.012 -16.357 252 HD2 HIS 29 HD2 HIS 29 17.988 7.025 -17.688 253 HE1 HIS 29 HE1 HIS 29 20.967 6.018 -14.874 254 H ASN 30 H ASN 30 16.874 3.244 -16.855 255 HA ASN 30 HA ASN 30 14.284 4.271 -16.142 256 1HB ASN 30 3HB ASN 30 16.216 2.341 -15.066 257 2HB ASN 30 2HB ASN 30 15.273 3.165 -13.823 258 1HD2 ASN 30 1HD2 ASN 30 14.979 0.329 -14.610 259 2HD2 ASN 30 2HD2 ASN 30 13.393 0.152 -15.189 260 H SER 31 H SER 31 17.292 4.545 -14.225 261 HA SER 31 HA SER 31 16.563 6.349 -12.326 262 1HB SER 31 3HB SER 31 19.044 7.259 -13.465 263 2HB SER 31 2HB SER 31 18.753 6.473 -11.923 264 HG SER 31 HG SER 31 19.801 4.909 -12.908 265 H ASN 32 H ASN 32 16.776 7.128 -15.742 266 HA ASN 32 HA ASN 32 16.462 9.997 -15.092 267 1HB ASN 32 3HB ASN 32 17.910 8.738 -17.045 268 2HB ASN 32 2HB ASN 32 16.476 9.289 -17.896 269 1HD2 ASN 32 1HD2 ASN 32 19.486 10.310 -17.488 270 2HD2 ASN 32 2HD2 ASN 32 19.256 11.980 -17.297 271 H ILE 33 H ILE 33 14.837 7.521 -17.110 272 HA ILE 33 HA ILE 33 12.642 9.093 -17.891 273 HB ILE 33 HB ILE 33 12.767 6.141 -17.239 274 1HG1 ILE 33 2HG1 ILE 33 14.080 7.032 -19.184 275 2HG1 ILE 33 1HG1 ILE 33 12.817 5.894 -19.657 276 1HG2 ILE 33 1HG2 ILE 33 10.603 6.574 -18.946 277 2HG2 ILE 33 2HG2 ILE 33 10.459 7.867 -17.755 278 3HG2 ILE 33 3HG2 ILE 33 10.498 6.184 -17.229 279 1HD1 ILE 33 1HD1 ILE 33 12.271 7.546 -21.139 280 2HD1 ILE 33 2HD1 ILE 33 13.015 8.811 -20.161 281 3HD1 ILE 33 3HD1 ILE 33 11.410 8.212 -19.753 282 H SER 34 H SER 34 13.367 7.620 -14.818 283 HA SER 34 HA SER 34 10.846 7.708 -13.547 284 1HB SER 34 3HB SER 34 13.521 7.308 -12.788 285 2HB SER 34 2HB SER 34 12.949 8.644 -11.795 286 HG SER 34 HG SER 34 11.548 7.348 -10.844 287 H LYS 35 H LYS 35 13.353 10.254 -13.695 288 HA LYS 35 HA LYS 35 11.779 12.223 -12.363 289 1HB LYS 35 3HB LYS 35 14.116 12.468 -14.278 290 2HB LYS 35 2HB LYS 35 13.411 13.839 -13.421 291 1HG LYS 35 2HG LYS 35 14.305 11.392 -11.912 292 2HG LYS 35 1HG LYS 35 15.462 12.647 -12.353 293 1HD LYS 35 2HD LYS 35 14.445 14.252 -11.003 294 2HD LYS 35 1HD LYS 35 12.885 13.429 -11.028 295 1HE LYS 35 2HE LYS 35 13.407 12.454 -9.070 296 2HE LYS 35 1HE LYS 35 14.731 11.613 -9.876 297 1HZ LYS 35 1HZ LYS 35 15.592 12.880 -8.051 298 2HZ LYS 35 2HZ LYS 35 14.844 14.298 -8.611 299 3HZ LYS 35 3HZ LYS 35 16.114 13.598 -9.495 300 H ILE 36 H ILE 36 12.001 11.031 -15.592 301 HA ILE 36 HA ILE 36 10.644 13.195 -16.880 302 HB ILE 36 HB ILE 36 11.291 10.392 -17.589 303 1HG1 ILE 36 2HG1 ILE 36 12.310 11.728 -19.571 304 2HG1 ILE 36 1HG1 ILE 36 12.016 13.142 -18.559 305 1HG2 ILE 36 1HG2 ILE 36 9.015 10.759 -18.476 306 2HG2 ILE 36 2HG2 ILE 36 10.197 10.685 -19.783 307 3HG2 ILE 36 3HG2 ILE 36 9.565 12.243 -19.253 308 1HD1 ILE 36 1HD1 ILE 36 14.267 12.394 -18.118 309 2HD1 ILE 36 2HD1 ILE 36 13.722 10.734 -17.879 310 3HD1 ILE 36 3HD1 ILE 36 13.285 11.982 -16.712 311 H LEU 37 H LEU 37 9.621 9.942 -15.960 312 HA LEU 37 HA LEU 37 6.856 10.170 -16.458 313 1HB LEU 37 3HB LEU 37 8.446 8.663 -14.391 314 2HB LEU 37 2HB LEU 37 6.703 8.511 -14.537 315 HG LEU 37 HG LEU 37 8.741 7.931 -16.696 316 1HD1 LEU 37 1HD1 LEU 37 6.998 5.767 -16.088 317 2HD1 LEU 37 2HD1 LEU 37 7.614 6.402 -14.562 318 3HD1 LEU 37 3HD1 LEU 37 8.739 5.871 -15.814 319 1HD2 LEU 37 1HD2 LEU 37 6.318 6.908 -17.530 320 2HD2 LEU 37 2HD2 LEU 37 7.006 8.433 -18.089 321 3HD2 LEU 37 3HD2 LEU 37 5.831 8.423 -16.772 322 H GLY 38 H GLY 38 8.503 10.465 -13.323 323 1HA GLY 38 2HA GLY 38 6.308 11.510 -11.866 324 2HA GLY 38 1HA GLY 38 8.000 11.749 -11.421 325 H SER 39 H SER 39 8.140 12.945 -14.338 326 HA SER 39 HA SER 39 7.407 15.660 -13.453 327 1HB SER 39 3HB SER 39 9.755 15.360 -14.182 328 2HB SER 39 2HB SER 39 9.186 14.755 -15.736 329 HG SER 39 HG SER 39 9.525 17.286 -14.924 330 H ARG 40 H ARG 40 6.598 13.078 -15.511 331 HA ARG 40 HA ARG 40 5.064 14.727 -17.386 332 1HB ARG 40 3HB ARG 40 5.889 11.909 -17.079 333 2HB ARG 40 2HB ARG 40 4.413 12.206 -17.967 334 1HG ARG 40 2HG ARG 40 6.441 14.083 -18.784 335 2HG ARG 40 1HG ARG 40 7.065 12.438 -18.915 336 1HD ARG 40 2HD ARG 40 5.122 11.781 -20.229 337 2HD ARG 40 1HD ARG 40 4.435 13.393 -20.068 338 HE ARG 40 HE ARG 40 6.698 12.633 -21.806 339 1HH1 ARG 40 1HH1 ARG 40 7.012 15.246 -20.123 340 2HH1 ARG 40 2HH1 ARG 40 6.519 16.417 -21.300 341 1HH2 ARG 40 1HH2 ARG 40 5.104 14.073 -23.430 342 2HH2 ARG 40 2HH2 ARG 40 5.440 15.753 -23.173 343 H TRP 41 H TRP 41 4.844 12.730 -14.596 344 HA TRP 41 HA TRP 41 2.023 12.372 -14.410 345 1HB TRP 41 3HB TRP 41 3.832 11.137 -13.167 346 2HB TRP 41 2HB TRP 41 4.054 12.579 -12.189 347 HD1 TRP 41 HD1 TRP 41 2.605 12.666 -10.095 348 HE1 TRP 41 HE1 TRP 41 0.396 11.528 -9.321 349 HE3 TRP 41 HE3 TRP 41 1.428 10.161 -14.322 350 HZ2 TRP 41 HZ2 TRP 41 -1.601 9.768 -10.425 351 HZ3 TRP 41 HZ3 TRP 41 -0.611 8.770 -14.454 352 HH2 TRP 41 HH2 TRP 41 -2.123 8.583 -12.573 353 H LYS 42 H LYS 42 4.173 14.544 -12.562 354 HA LYS 42 HA LYS 42 2.047 16.026 -11.395 355 1HB LYS 42 3HB LYS 42 4.958 16.667 -11.902 356 2HB LYS 42 2HB LYS 42 3.872 17.812 -11.111 357 1HG LYS 42 2HG LYS 42 3.744 15.053 -10.063 358 2HG LYS 42 1HG LYS 42 5.268 15.888 -9.784 359 1HD LYS 42 2HD LYS 42 4.337 17.401 -8.352 360 2HD LYS 42 1HD LYS 42 2.836 17.491 -9.275 361 1HE LYS 42 2HE LYS 42 2.430 15.068 -8.412 362 2HE LYS 42 1HE LYS 42 3.653 15.461 -7.205 363 1HZ LYS 42 1HZ LYS 42 1.951 16.331 -6.081 364 2HZ LYS 42 2HZ LYS 42 0.938 16.388 -7.443 365 3HZ LYS 42 3HZ LYS 42 2.059 17.634 -7.161 366 H ALA 43 H ALA 43 3.521 15.991 -14.481 367 HA ALA 43 HA ALA 43 2.526 18.600 -15.268 368 1HB ALA 43 1HB ALA 43 3.602 18.060 -17.428 369 2HB ALA 43 2HB ALA 43 3.937 16.433 -16.834 370 3HB ALA 43 3HB ALA 43 4.711 17.825 -16.078 371 H MET 44 H MET 44 0.827 16.061 -14.607 372 HA MET 44 HA MET 44 -0.643 15.851 -17.163 373 1HB MET 44 3HB MET 44 -1.535 13.819 -16.329 374 2HB MET 44 2HB MET 44 0.166 13.789 -15.892 375 1HG MET 44 2HG MET 44 -0.472 13.468 -13.758 376 2HG MET 44 1HG MET 44 -1.113 15.110 -13.769 377 1HE MET 44 1HE MET 44 -1.827 11.343 -13.730 378 2HE MET 44 2HE MET 44 -1.907 11.728 -15.447 379 3HE MET 44 3HE MET 44 -3.358 11.195 -14.603 380 H THR 45 H THR 45 -3.093 15.044 -16.055 381 HA THR 45 HA THR 45 -3.963 17.565 -14.737 382 HB THR 45 HB THR 45 -6.214 16.910 -15.896 383 HG1 THR 45 HG1 THR 45 -4.322 15.643 -17.582 384 1HG2 THR 45 1HG2 THR 45 -4.174 18.655 -16.492 385 2HG2 THR 45 2HG2 THR 45 -5.730 18.608 -17.321 386 3HG2 THR 45 3HG2 THR 45 -4.342 17.758 -18.000 387 H ASN 46 H ASN 46 -4.071 16.879 -12.694 388 HA ASN 46 HA ASN 46 -4.397 14.539 -11.438 389 1HB ASN 46 3HB ASN 46 -4.526 16.882 -10.457 390 2HB ASN 46 2HB ASN 46 -6.265 16.793 -10.739 391 1HD2 ASN 46 1HD2 ASN 46 -5.843 17.012 -8.132 392 2HD2 ASN 46 2HD2 ASN 46 -5.883 15.527 -7.313 393 H LEU 47 H LEU 47 -7.036 16.058 -13.258 394 HA LEU 47 HA LEU 47 -9.087 14.227 -12.404 395 1HB LEU 47 3HB LEU 47 -9.275 16.487 -13.730 396 2HB LEU 47 2HB LEU 47 -9.086 15.452 -15.147 397 HG LEU 47 HG LEU 47 -11.025 14.519 -13.101 398 1HD1 LEU 47 1HD1 LEU 47 -11.381 17.021 -13.268 399 2HD1 LEU 47 2HD1 LEU 47 -12.765 16.047 -13.766 400 3HD1 LEU 47 3HD1 LEU 47 -11.725 16.787 -14.982 401 1HD2 LEU 47 1HD2 LEU 47 -12.087 13.581 -14.963 402 2HD2 LEU 47 2HD2 LEU 47 -10.397 13.567 -15.472 403 3HD2 LEU 47 3HD2 LEU 47 -11.485 14.827 -16.056 404 H GLU 48 H GLU 48 -6.597 14.082 -14.866 405 HA GLU 48 HA GLU 48 -7.663 11.797 -16.276 406 1HB GLU 48 3HB GLU 48 -5.498 13.573 -16.584 407 2HB GLU 48 2HB GLU 48 -4.781 11.971 -16.402 408 1HG GLU 48 2HG GLU 48 -5.199 12.134 -18.721 409 2HG GLU 48 1HG GLU 48 -6.569 11.202 -18.115 410 H LYS 49 H LYS 49 -6.512 12.074 -13.171 411 HA LYS 49 HA LYS 49 -5.013 9.548 -13.093 412 1HB LYS 49 3HB LYS 49 -5.547 11.794 -11.273 413 2HB LYS 49 2HB LYS 49 -5.490 10.221 -10.477 414 1HG LYS 49 2HG LYS 49 -3.282 9.893 -10.984 415 2HG LYS 49 1HG LYS 49 -3.377 10.797 -12.493 416 1HD LYS 49 2HD LYS 49 -2.242 12.380 -11.290 417 2HD LYS 49 1HD LYS 49 -3.863 12.795 -10.732 418 1HE LYS 49 2HE LYS 49 -2.965 10.638 -9.118 419 2HE LYS 49 1HE LYS 49 -1.644 11.803 -9.199 420 1HZ LYS 49 1HZ LYS 49 -2.750 12.999 -7.718 421 2HZ LYS 49 2HZ LYS 49 -4.117 11.994 -7.820 422 3HZ LYS 49 3HZ LYS 49 -3.934 13.297 -8.894 423 H GLN 50 H GLN 50 -8.312 10.408 -12.932 424 HA GLN 50 HA GLN 50 -9.287 8.571 -11.003 425 1HB GLN 50 3HB GLN 50 -10.796 9.158 -13.535 426 2HB GLN 50 2HB GLN 50 -11.409 8.959 -11.896 427 1HG GLN 50 2HG GLN 50 -9.571 11.100 -11.791 428 2HG GLN 50 1HG GLN 50 -10.578 11.369 -13.216 429 1HE2 GLN 50 1HE2 GLN 50 -13.014 11.236 -12.827 430 2HE2 GLN 50 2HE2 GLN 50 -13.609 11.728 -11.315 431 HA PRO 51 HA PRO 51 -9.648 5.386 -14.554 432 1HB PRO 51 3HB PRO 51 -8.189 5.853 -16.821 433 2HB PRO 51 2HB PRO 51 -9.855 6.382 -16.581 434 1HG PRO 51 2HG PRO 51 -7.362 8.005 -16.536 435 2HG PRO 51 1HG PRO 51 -9.015 8.503 -16.931 436 1HD PRO 51 2HD PRO 51 -7.679 8.951 -14.476 437 2HD PRO 51 1HD PRO 51 -9.416 9.170 -14.777 438 H TYR 52 H TYR 52 -6.395 6.900 -14.670 439 HA TYR 52 HA TYR 52 -4.985 4.400 -14.868 440 1HB TYR 52 3HB TYR 52 -3.897 6.863 -13.514 441 2HB TYR 52 2HB TYR 52 -3.017 5.653 -14.452 442 HD1 TYR 52 HD1 TYR 52 -4.979 5.350 -16.704 443 HD2 TYR 52 HD2 TYR 52 -3.399 8.825 -14.752 444 HE1 TYR 52 HE1 TYR 52 -5.378 6.668 -18.745 445 HE2 TYR 52 HE2 TYR 52 -3.790 10.154 -16.790 446 HH TYR 52 HH TYR 52 -4.016 9.698 -19.281 447 H TYR 53 H TYR 53 -6.769 5.821 -12.397 448 HA TYR 53 HA TYR 53 -5.202 4.723 -10.206 449 1HB TYR 53 3HB TYR 53 -7.518 6.454 -10.566 450 2HB TYR 53 2HB TYR 53 -7.734 5.321 -9.244 451 HD1 TYR 53 HD1 TYR 53 -4.907 7.353 -10.658 452 HD2 TYR 53 HD2 TYR 53 -7.073 6.134 -7.153 453 HE1 TYR 53 HE1 TYR 53 -3.407 8.733 -9.248 454 HE2 TYR 53 HE2 TYR 53 -5.571 7.511 -5.745 455 HH TYR 53 HH TYR 53 -3.045 9.549 -7.204 456 H GLU 54 H GLU 54 -8.258 3.911 -11.834 457 HA GLU 54 HA GLU 54 -8.800 1.606 -10.225 458 1HB GLU 54 3HB GLU 54 -10.602 1.201 -11.680 459 2HB GLU 54 2HB GLU 54 -10.417 2.949 -11.727 460 1HG GLU 54 2HG GLU 54 -10.577 2.416 -13.996 461 2HG GLU 54 1HG GLU 54 -8.832 2.462 -13.757 462 H GLU 55 H GLU 55 -7.111 2.002 -13.346 463 HA GLU 55 HA GLU 55 -6.826 -0.823 -13.784 464 1HB GLU 55 3HB GLU 55 -4.697 0.070 -15.117 465 2HB GLU 55 2HB GLU 55 -6.330 0.244 -15.752 466 1HG GLU 55 2HG GLU 55 -6.468 2.493 -15.075 467 2HG GLU 55 1HG GLU 55 -5.082 2.342 -13.999 468 H GLN 56 H GLN 56 -5.496 1.235 -11.491 469 HA GLN 56 HA GLN 56 -2.935 -0.118 -11.176 470 1HB GLN 56 3HB GLN 56 -2.598 1.821 -10.090 471 2HB GLN 56 2HB GLN 56 -4.306 2.168 -10.076 472 1HG GLN 56 2HG GLN 56 -4.615 0.991 -8.007 473 2HG GLN 56 1HG GLN 56 -2.999 0.290 -8.097 474 1HE2 GLN 56 1HE2 GLN 56 -3.724 3.687 -8.881 475 2HE2 GLN 56 2HE2 GLN 56 -2.873 4.346 -7.571 476 H ALA 57 H ALA 57 -5.802 0.160 -9.167 477 HA ALA 57 HA ALA 57 -5.370 -1.838 -7.308 478 1HB ALA 57 1HB ALA 57 -7.669 -1.770 -6.876 479 2HB ALA 57 2HB ALA 57 -8.079 -1.608 -8.584 480 3HB ALA 57 3HB ALA 57 -7.414 -0.233 -7.703 481 H ARG 58 H ARG 58 -6.303 -2.220 -10.682 482 HA ARG 58 HA ARG 58 -6.964 -5.029 -10.481 483 1HB ARG 58 3HB ARG 58 -6.082 -3.384 -12.875 484 2HB ARG 58 2HB ARG 58 -6.771 -5.006 -12.955 485 1HG ARG 58 2HG ARG 58 -8.487 -3.377 -11.340 486 2HG ARG 58 1HG ARG 58 -8.159 -2.520 -12.846 487 1HD ARG 58 2HD ARG 58 -9.081 -4.213 -14.167 488 2HD ARG 58 1HD ARG 58 -8.852 -5.443 -12.923 489 HE ARG 58 HE ARG 58 -10.674 -3.583 -11.858 490 1HH1 ARG 58 1HH1 ARG 58 -11.020 -4.152 -15.040 491 2HH1 ARG 58 2HH1 ARG 58 -12.449 -5.126 -14.942 492 1HH2 ARG 58 1HH2 ARG 58 -12.268 -5.520 -11.502 493 2HH2 ARG 58 2HH2 ARG 58 -13.156 -5.901 -12.940 494 H LEU 59 H LEU 59 -4.170 -3.394 -11.939 495 HA LEU 59 HA LEU 59 -2.571 -5.767 -12.113 496 1HB LEU 59 3HB LEU 59 -0.714 -4.152 -12.527 497 2HB LEU 59 2HB LEU 59 -2.124 -3.834 -13.531 498 HG LEU 59 HG LEU 59 -2.842 -2.213 -11.621 499 1HD1 LEU 59 1HD1 LEU 59 -0.311 -3.190 -10.651 500 2HD1 LEU 59 2HD1 LEU 59 -1.442 -2.089 -9.865 501 3HD1 LEU 59 3HD1 LEU 59 -0.196 -1.455 -10.942 502 1HD2 LEU 59 1HD2 LEU 59 -0.435 -1.046 -12.847 503 2HD2 LEU 59 2HD2 LEU 59 -2.124 -0.570 -13.019 504 3HD2 LEU 59 3HD2 LEU 59 -1.473 -1.882 -14.002 505 H SER 60 H SER 60 -3.296 -3.617 -9.513 506 HA SER 60 HA SER 60 -0.884 -4.203 -7.968 507 1HB SER 60 3HB SER 60 -1.869 -2.142 -7.385 508 2HB SER 60 2HB SER 60 -3.498 -2.809 -7.413 509 HG SER 60 HG SER 60 -1.444 -3.430 -5.547 510 H LYS 61 H LYS 61 -3.982 -5.628 -8.497 511 HA LYS 61 HA LYS 61 -4.035 -7.215 -6.066 512 1HB LYS 61 3HB LYS 61 -5.966 -6.519 -7.726 513 2HB LYS 61 2HB LYS 61 -5.494 -7.998 -8.562 514 1HG LYS 61 2HG LYS 61 -7.298 -8.400 -6.892 515 2HG LYS 61 1HG LYS 61 -5.827 -9.299 -6.513 516 1HD LYS 61 2HD LYS 61 -5.492 -8.152 -4.588 517 2HD LYS 61 1HD LYS 61 -5.871 -6.606 -5.347 518 1HE LYS 61 2HE LYS 61 -7.800 -6.660 -4.175 519 2HE LYS 61 1HE LYS 61 -8.321 -7.916 -5.298 520 1HZ LYS 61 1HZ LYS 61 -6.699 -9.172 -3.456 521 2HZ LYS 61 2HZ LYS 61 -8.391 -9.283 -3.576 522 3HZ LYS 61 3HZ LYS 61 -7.683 -8.134 -2.543 523 H GLN 62 H GLN 62 -3.384 -7.968 -9.491 524 HA GLN 62 HA GLN 62 -2.632 -10.683 -9.087 525 1HB GLN 62 3HB GLN 62 -1.268 -10.273 -11.252 526 2HB GLN 62 2HB GLN 62 -3.017 -10.045 -11.330 527 1HG GLN 62 2HG GLN 62 -2.851 -7.768 -11.541 528 2HG GLN 62 1HG GLN 62 -1.405 -7.674 -10.536 529 1HE2 GLN 62 1HE2 GLN 62 -2.381 -9.048 -13.735 530 2HE2 GLN 62 2HE2 GLN 62 -0.931 -8.633 -14.516 531 H HIS 63 H HIS 63 -0.827 -7.686 -8.696 532 HA HIS 63 HA HIS 63 1.768 -8.975 -8.506 533 1HB HIS 63 3HB HIS 63 1.607 -6.613 -9.113 534 2HB HIS 63 2HB HIS 63 0.821 -6.251 -7.578 535 HD1 HIS 63 HD1 HIS 63 3.464 -8.752 -7.220 536 HD2 HIS 63 HD2 HIS 63 3.253 -4.590 -7.163 537 HE1 HIS 63 HE1 HIS 63 5.609 -7.939 -6.147 538 H LEU 64 H LEU 64 0.085 -7.133 -5.975 539 HA LEU 64 HA LEU 64 1.453 -8.125 -3.780 540 1HB LEU 64 3HB LEU 64 -1.302 -7.070 -4.200 541 2HB LEU 64 2HB LEU 64 -0.973 -7.873 -2.666 542 HG LEU 64 HG LEU 64 1.262 -6.271 -3.027 543 1HD1 LEU 64 1HD1 LEU 64 -0.899 -4.302 -3.397 544 2HD1 LEU 64 2HD1 LEU 64 -0.551 -5.270 -4.830 545 3HD1 LEU 64 3HD1 LEU 64 0.730 -4.325 -4.071 546 1HD2 LEU 64 1HD2 LEU 64 -0.639 -4.804 -1.509 547 2HD2 LEU 64 2HD2 LEU 64 0.615 -5.887 -0.906 548 3HD2 LEU 64 3HD2 LEU 64 -0.994 -6.514 -1.260 549 H GLU 65 H GLU 65 -1.148 -9.712 -5.560 550 HA GLU 65 HA GLU 65 -1.762 -11.778 -3.759 551 1HB GLU 65 3HB GLU 65 -1.710 -11.630 -6.765 552 2HB GLU 65 2HB GLU 65 -2.116 -13.142 -5.950 553 1HG GLU 65 2HG GLU 65 -3.542 -10.926 -4.748 554 2HG GLU 65 1HG GLU 65 -3.847 -10.997 -6.483 555 H LYS 66 H LYS 66 1.128 -11.184 -5.555 556 HA LYS 66 HA LYS 66 2.099 -13.937 -4.965 557 1HB LYS 66 3HB LYS 66 2.855 -11.857 -6.995 558 2HB LYS 66 2HB LYS 66 3.990 -13.129 -6.559 559 1HG LYS 66 2HG LYS 66 1.441 -14.344 -6.956 560 2HG LYS 66 1HG LYS 66 1.756 -13.289 -8.332 561 1HD LYS 66 2HD LYS 66 3.213 -14.791 -9.161 562 2HD LYS 66 1HD LYS 66 4.183 -14.666 -7.693 563 1HE LYS 66 2HE LYS 66 3.276 -16.558 -6.769 564 2HE LYS 66 1HE LYS 66 1.693 -16.277 -7.492 565 1HZ LYS 66 1HZ LYS 66 2.275 -17.308 -9.410 566 2HZ LYS 66 2HZ LYS 66 3.291 -18.164 -8.350 567 3HZ LYS 66 3HZ LYS 66 3.915 -16.891 -9.287 568 H TYR 67 H TYR 67 2.973 -10.502 -4.638 569 HA TYR 67 HA TYR 67 4.923 -11.359 -2.533 570 1HB TYR 67 3HB TYR 67 5.217 -9.058 -4.476 571 2HB TYR 67 2HB TYR 67 6.332 -9.435 -3.165 572 HD1 TYR 67 HD1 TYR 67 5.110 -10.434 -6.484 573 HD2 TYR 67 HD2 TYR 67 7.749 -11.444 -3.246 574 HE1 TYR 67 HE1 TYR 67 6.304 -12.035 -7.954 575 HE2 TYR 67 HE2 TYR 67 8.940 -13.045 -4.717 576 HH TYR 67 HH TYR 67 8.029 -14.412 -7.065 577 HA PRO 68 HA PRO 68 2.077 -8.410 -0.527 578 1HB PRO 68 3HB PRO 68 1.904 -9.865 1.791 579 2HB PRO 68 2HB PRO 68 0.846 -10.135 0.400 580 1HG PRO 68 2HG PRO 68 3.132 -11.788 1.359 581 2HG PRO 68 1HG PRO 68 1.708 -12.278 0.427 582 1HD PRO 68 2HD PRO 68 4.305 -11.833 -0.617 583 2HD PRO 68 1HD PRO 68 2.812 -12.006 -1.565 584 H ASP 69 H ASP 69 3.927 -10.155 1.894 585 HA ASP 69 HA ASP 69 5.328 -7.699 2.639 586 1HB ASP 69 3HB ASP 69 4.211 -9.000 4.416 587 2HB ASP 69 2HB ASP 69 5.237 -10.379 4.021 588 H TYR 70 H TYR 70 7.031 -10.424 3.520 589 HA TYR 70 HA TYR 70 9.342 -9.754 2.036 590 1HB TYR 70 3HB TYR 70 8.679 -12.493 3.130 591 2HB TYR 70 2HB TYR 70 10.282 -11.807 2.865 592 HD1 TYR 70 HD1 TYR 70 8.323 -12.737 5.424 593 HD2 TYR 70 HD2 TYR 70 10.152 -9.141 3.946 594 HE1 TYR 70 HE1 TYR 70 8.297 -11.782 7.713 595 HE2 TYR 70 HE2 TYR 70 10.125 -8.186 6.235 Start of MODEL 11 1 HA PRO 1 HA PRO 1 8.593 -14.657 -7.934 2 1HB PRO 1 3HB PRO 1 9.968 -13.044 -6.004 3 2HB PRO 1 2HB PRO 1 10.303 -14.720 -6.459 4 1HG PRO 1 2HG PRO 1 11.842 -12.391 -7.086 5 2HG PRO 1 1HG PRO 1 12.159 -14.066 -7.560 6 1HD PRO 1 2HD PRO 1 11.232 -11.908 -9.210 7 2HD PRO 1 1HD PRO 1 11.581 -13.574 -9.682 8 H HIS 2 H HIS 2 9.310 -11.323 -6.877 9 HA HIS 2 HA HIS 2 6.391 -10.761 -6.825 10 1HB HIS 2 3HB HIS 2 7.748 -11.519 -4.535 11 2HB HIS 2 2HB HIS 2 7.789 -9.757 -4.453 12 HD1 HIS 2 HD1 HIS 2 6.047 -10.121 -2.403 13 HD2 HIS 2 HD2 HIS 2 4.619 -11.053 -6.207 14 HE1 HIS 2 HE1 HIS 2 3.523 -10.217 -2.217 15 H ILE 3 H ILE 3 6.620 -9.164 -8.431 16 HA ILE 3 HA ILE 3 8.473 -6.913 -7.786 17 HB ILE 3 HB ILE 3 7.756 -6.371 -10.315 18 1HG1 ILE 3 2HG1 ILE 3 7.537 -9.380 -10.036 19 2HG1 ILE 3 1HG1 ILE 3 6.253 -8.282 -10.541 20 1HG2 ILE 3 1HG2 ILE 3 9.824 -7.540 -11.014 21 2HG2 ILE 3 2HG2 ILE 3 9.831 -8.424 -9.488 22 3HG2 ILE 3 3HG2 ILE 3 10.056 -6.675 -9.495 23 1HD1 ILE 3 1HD1 ILE 3 8.854 -8.797 -12.014 24 2HD1 ILE 3 2HD1 ILE 3 7.645 -7.608 -12.496 25 3HD1 ILE 3 3HD1 ILE 3 7.247 -9.326 -12.515 26 H LYS 4 H LYS 4 6.860 -6.088 -6.266 27 HA LYS 4 HA LYS 4 4.206 -5.350 -7.142 28 1HB LYS 4 3HB LYS 4 5.720 -5.282 -4.710 29 2HB LYS 4 2HB LYS 4 5.042 -3.678 -4.989 30 1HG LYS 4 2HG LYS 4 2.814 -4.539 -5.128 31 2HG LYS 4 1HG LYS 4 3.394 -6.204 -5.215 32 1HD LYS 4 2HD LYS 4 4.542 -5.427 -2.884 33 2HD LYS 4 1HD LYS 4 3.086 -4.433 -2.857 34 1HE LYS 4 2HE LYS 4 1.688 -6.416 -3.176 35 2HE LYS 4 1HE LYS 4 3.126 -7.433 -3.292 36 1HZ LYS 4 1HZ LYS 4 3.486 -6.063 -0.975 37 2HZ LYS 4 2HZ LYS 4 2.928 -7.661 -1.103 38 3HZ LYS 4 3HZ LYS 4 1.821 -6.379 -0.970 39 H ARG 5 H ARG 5 5.251 -4.346 -9.224 40 HA ARG 5 HA ARG 5 6.340 -1.648 -8.810 41 1HB ARG 5 3HB ARG 5 7.234 -3.017 -10.638 42 2HB ARG 5 2HB ARG 5 5.636 -3.102 -11.376 43 1HG ARG 5 2HG ARG 5 5.735 -0.487 -11.268 44 2HG ARG 5 1HG ARG 5 7.474 -0.739 -11.126 45 1HD ARG 5 2HD ARG 5 6.678 -0.442 -13.497 46 2HD ARG 5 1HD ARG 5 7.534 -1.957 -13.214 47 HE ARG 5 HE ARG 5 4.602 -2.090 -12.954 48 1HH1 ARG 5 1HH1 ARG 5 7.334 -3.631 -14.057 49 2HH1 ARG 5 2HH1 ARG 5 6.640 -4.220 -15.530 50 1HH2 ARG 5 1HH2 ARG 5 3.724 -2.371 -15.208 51 2HH2 ARG 5 2HH2 ARG 5 4.595 -3.509 -16.181 52 HA PRO 6 HA PRO 6 2.119 -0.516 -10.724 53 1HB PRO 6 3HB PRO 6 0.184 -2.462 -10.782 54 2HB PRO 6 2HB PRO 6 1.312 -2.168 -12.116 55 1HG PRO 6 2HG PRO 6 1.279 -4.401 -10.147 56 2HG PRO 6 1HG PRO 6 1.962 -4.354 -11.781 57 1HD PRO 6 2HD PRO 6 3.408 -4.128 -9.346 58 2HD PRO 6 1HD PRO 6 4.035 -3.822 -10.977 59 H MET 7 H MET 7 2.588 0.154 -8.294 60 HA MET 7 HA MET 7 0.461 -0.863 -6.497 61 1HB MET 7 3HB MET 7 3.058 0.549 -6.090 62 2HB MET 7 2HB MET 7 1.878 0.397 -4.809 63 1HG MET 7 2HG MET 7 1.935 -2.151 -5.550 64 2HG MET 7 1HG MET 7 3.534 -1.707 -6.133 65 1HE MET 7 1HE MET 7 5.201 0.017 -3.571 66 2HE MET 7 2HE MET 7 5.131 -0.709 -5.175 67 3HE MET 7 3HE MET 7 5.798 -1.629 -3.827 68 H ASN 8 H ASN 8 1.690 1.803 -8.231 69 HA ASN 8 HA ASN 8 -0.419 3.585 -7.144 70 1HB ASN 8 3HB ASN 8 1.503 5.242 -8.176 71 2HB ASN 8 2HB ASN 8 1.356 4.819 -6.479 72 1HD2 ASN 8 1HD2 ASN 8 3.671 4.890 -6.081 73 2HD2 ASN 8 2HD2 ASN 8 4.726 3.733 -6.738 74 H ALA 9 H ALA 9 -1.406 4.978 -8.689 75 HA ALA 9 HA ALA 9 -1.767 3.884 -11.315 76 1HB ALA 9 1HB ALA 9 -3.211 5.731 -11.685 77 2HB ALA 9 2HB ALA 9 -2.371 6.715 -10.486 78 3HB ALA 9 3HB ALA 9 -3.366 5.355 -9.968 79 H PHE 10 H PHE 10 0.499 6.051 -9.932 80 HA PHE 10 HA PHE 10 1.272 7.430 -12.314 81 1HB PHE 10 3HB PHE 10 1.879 8.479 -10.351 82 2HB PHE 10 2HB PHE 10 2.429 6.991 -9.604 83 HD1 PHE 10 HD1 PHE 10 3.208 9.142 -12.577 84 HD2 PHE 10 HD2 PHE 10 4.725 6.635 -9.440 85 HE1 PHE 10 HE1 PHE 10 5.523 9.619 -13.310 86 HE2 PHE 10 HE2 PHE 10 7.045 7.116 -10.174 87 HZ PHE 10 HZ PHE 10 7.444 8.612 -12.113 88 H MET 11 H MET 11 3.064 4.934 -10.478 89 HA MET 11 HA MET 11 4.869 4.373 -12.611 90 1HB MET 11 3HB MET 11 3.915 2.776 -10.231 91 2HB MET 11 2HB MET 11 4.987 2.052 -11.426 92 1HG MET 11 2HG MET 11 6.116 4.563 -10.871 93 2HG MET 11 1HG MET 11 5.623 3.926 -9.301 94 1HE MET 11 1HE MET 11 8.219 4.743 -10.236 95 2HE MET 11 2HE MET 11 9.467 3.522 -10.467 96 3HE MET 11 3HE MET 11 8.750 3.749 -8.874 97 H VAL 12 H VAL 12 1.551 3.750 -12.121 98 HA VAL 12 HA VAL 12 1.393 1.471 -13.926 99 HB VAL 12 HB VAL 12 -0.516 3.168 -12.366 100 1HG1 VAL 12 1HG1 VAL 12 -1.839 3.146 -14.266 101 2HG1 VAL 12 2HG1 VAL 12 -2.333 1.638 -13.498 102 3HG1 VAL 12 3HG1 VAL 12 -1.180 1.611 -14.832 103 1HG2 VAL 12 1HG2 VAL 12 0.154 0.248 -12.608 104 2HG2 VAL 12 2HG2 VAL 12 -1.321 0.782 -11.802 105 3HG2 VAL 12 3HG2 VAL 12 0.253 1.283 -11.186 106 H TRP 13 H TRP 13 0.501 4.881 -13.914 107 HA TRP 13 HA TRP 13 -0.263 4.774 -16.755 108 1HB TRP 13 3HB TRP 13 -1.465 6.471 -15.817 109 2HB TRP 13 2HB TRP 13 -0.284 6.724 -14.538 110 HD1 TRP 13 HD1 TRP 13 -1.544 8.173 -17.664 111 HE1 TRP 13 HE1 TRP 13 -0.082 10.144 -18.373 112 HE3 TRP 13 HE3 TRP 13 2.465 7.548 -14.554 113 HZ2 TRP 13 HZ2 TRP 13 2.452 11.306 -17.780 114 HZ3 TRP 13 HZ3 TRP 13 4.382 9.088 -14.661 115 HH2 TRP 13 HH2 TRP 13 4.381 10.973 -16.260 116 H ALA 14 H ALA 14 2.483 5.704 -14.841 117 HA ALA 14 HA ALA 14 3.971 6.979 -16.938 118 1HB ALA 14 1HB ALA 14 5.430 5.785 -14.661 119 2HB ALA 14 2HB ALA 14 4.159 6.933 -14.247 120 3HB ALA 14 3HB ALA 14 5.476 7.428 -15.300 121 H LYS 15 H LYS 15 3.540 3.640 -16.021 122 HA LYS 15 HA LYS 15 5.964 2.663 -17.180 123 1HB LYS 15 3HB LYS 15 4.722 0.460 -17.305 124 2HB LYS 15 2HB LYS 15 4.731 1.189 -15.699 125 1HG LYS 15 2HG LYS 15 2.489 1.346 -15.688 126 2HG LYS 15 1HG LYS 15 2.497 2.183 -17.242 127 1HD LYS 15 2HD LYS 15 3.014 -0.282 -18.139 128 2HD LYS 15 1HD LYS 15 2.165 -0.724 -16.657 129 1HE LYS 15 2HE LYS 15 0.298 0.799 -17.331 130 2HE LYS 15 1HE LYS 15 1.127 1.078 -18.862 131 1HZ LYS 15 1HZ LYS 15 0.830 -1.113 -19.514 132 2HZ LYS 15 2HZ LYS 15 -0.647 -0.737 -18.763 133 3HZ LYS 15 3HZ LYS 15 0.517 -1.660 -17.939 134 H ASP 16 H ASP 16 2.927 3.720 -18.404 135 HA ASP 16 HA ASP 16 3.526 2.675 -21.103 136 1HB ASP 16 3HB ASP 16 1.132 2.996 -19.783 137 2HB ASP 16 2HB ASP 16 1.200 4.457 -20.768 138 H GLU 17 H GLU 17 3.225 5.619 -19.235 139 HA GLU 17 HA GLU 17 3.690 7.487 -21.341 140 1HB GLU 17 3HB GLU 17 3.307 7.480 -18.528 141 2HB GLU 17 2HB GLU 17 4.798 8.363 -18.840 142 1HG GLU 17 2HG GLU 17 2.837 9.079 -20.802 143 2HG GLU 17 1HG GLU 17 2.131 9.236 -19.200 144 H ARG 18 H ARG 18 5.808 5.696 -19.137 145 HA ARG 18 HA ARG 18 8.230 6.908 -20.244 146 1HB ARG 18 3HB ARG 18 9.458 5.365 -18.835 147 2HB ARG 18 2HB ARG 18 8.149 6.058 -17.892 148 1HG ARG 18 2HG ARG 18 7.353 4.002 -17.464 149 2HG ARG 18 1HG ARG 18 7.188 3.690 -19.189 150 1HD ARG 18 2HD ARG 18 9.964 3.594 -18.231 151 2HD ARG 18 1HD ARG 18 8.924 2.363 -17.523 152 HE ARG 18 HE ARG 18 8.602 2.540 -20.404 153 1HH1 ARG 18 1HH1 ARG 18 10.396 1.230 -17.758 154 2HH1 ARG 18 2HH1 ARG 18 11.062 -0.070 -18.686 155 1HH2 ARG 18 1HH2 ARG 18 9.524 0.889 -21.643 156 2HH2 ARG 18 2HH2 ARG 18 10.571 -0.263 -20.882 157 H ARG 19 H ARG 19 6.271 4.054 -20.711 158 HA ARG 19 HA ARG 19 8.093 2.695 -22.479 159 1HB ARG 19 3HB ARG 19 5.253 2.487 -21.681 160 2HB ARG 19 2HB ARG 19 5.589 1.954 -23.319 161 1HG ARG 19 2HG ARG 19 7.641 0.951 -21.583 162 2HG ARG 19 1HG ARG 19 6.067 0.542 -20.902 163 1HD ARG 19 2HD ARG 19 6.825 -1.212 -22.457 164 2HD ARG 19 1HD ARG 19 5.375 -0.414 -23.070 165 HE ARG 19 HE ARG 19 7.611 0.959 -24.141 166 1HH1 ARG 19 1HH2 ARG 19 6.249 -2.212 -24.146 167 2HH1 ARG 19 2HH2 ARG 19 6.705 -2.546 -25.782 168 1HH2 ARG 19 1HH1 ARG 19 8.147 0.563 -26.298 169 2HH2 ARG 19 2HH1 ARG 19 7.778 -0.977 -27.000 170 H LYS 20 H LYS 20 5.589 5.131 -22.736 171 HA LYS 20 HA LYS 20 5.665 5.294 -25.602 172 1HB LYS 20 3HB LYS 20 4.613 7.219 -23.529 173 2HB LYS 20 2HB LYS 20 4.387 7.419 -25.268 174 1HG LYS 20 2HG LYS 20 3.645 4.773 -24.135 175 2HG LYS 20 1HG LYS 20 2.603 6.130 -23.710 176 1HD LYS 20 2HD LYS 20 3.430 5.567 -26.562 177 2HD LYS 20 1HD LYS 20 1.982 4.859 -25.846 178 1HE LYS 20 2HE LYS 20 2.240 7.760 -25.404 179 2HE LYS 20 1HE LYS 20 2.068 7.304 -27.098 180 1HZ LYS 20 1HZ LYS 20 -0.094 7.175 -26.659 181 2HZ LYS 20 2HZ LYS 20 0.143 7.204 -24.977 182 3HZ LYS 20 3HZ LYS 20 0.253 5.737 -25.829 183 H ILE 21 H ILE 21 7.582 6.576 -23.061 184 HA ILE 21 HA ILE 21 8.769 8.571 -24.894 185 HB ILE 21 HB ILE 21 8.350 8.449 -22.052 186 1HG1 ILE 21 2HG1 ILE 21 9.631 10.837 -22.618 187 2HG1 ILE 21 1HG1 ILE 21 8.940 10.381 -24.176 188 1HG2 ILE 21 1HG2 ILE 21 10.521 7.665 -21.595 189 2HG2 ILE 21 2HG2 ILE 21 10.691 9.417 -21.487 190 3HG2 ILE 21 3HG2 ILE 21 11.231 8.567 -22.933 191 1HD1 ILE 21 1HD1 ILE 21 7.580 11.161 -21.664 192 2HD1 ILE 21 2HD1 ILE 21 6.857 9.801 -22.520 193 3HD1 ILE 21 3HD1 ILE 21 7.051 11.352 -23.335 194 H LEU 22 H LEU 22 9.510 5.643 -23.155 195 HA LEU 22 HA LEU 22 12.287 5.464 -23.631 196 1HB LEU 22 3HB LEU 22 10.447 3.905 -22.435 197 2HB LEU 22 2HB LEU 22 10.640 3.022 -23.948 198 HG LEU 22 HG LEU 22 13.152 3.220 -23.548 199 1HD1 LEU 22 1HD1 LEU 22 12.646 4.988 -21.703 200 2HD1 LEU 22 2HD1 LEU 22 13.916 3.802 -21.405 201 3HD1 LEU 22 3HD1 LEU 22 12.322 3.588 -20.680 202 1HD2 LEU 22 1HD2 LEU 22 12.327 1.568 -21.360 203 2HD2 LEU 22 2HD2 LEU 22 12.838 1.083 -22.978 204 3HD2 LEU 22 3HD2 LEU 22 11.142 1.449 -22.660 205 H GLN 23 H GLN 23 9.529 4.953 -25.675 206 HA GLN 23 HA GLN 23 10.795 3.543 -27.798 207 1HB GLN 23 3HB GLN 23 8.930 4.285 -29.141 208 2HB GLN 23 2HB GLN 23 8.319 3.894 -27.539 209 1HG GLN 23 2HG GLN 23 8.608 6.293 -26.934 210 2HG GLN 23 1HG GLN 23 8.996 6.619 -28.617 211 1HE2 GLN 23 1HE2 GLN 23 6.475 4.501 -27.136 212 2HE2 GLN 23 2HE2 GLN 23 5.177 5.227 -27.955 213 H ALA 24 H ALA 24 10.391 6.792 -26.887 214 HA ALA 24 HA ALA 24 11.838 7.903 -29.164 215 1HB ALA 24 1HB ALA 24 9.895 8.943 -27.631 216 2HB ALA 24 2HB ALA 24 11.090 9.958 -28.438 217 3HB ALA 24 3HB ALA 24 11.294 9.538 -26.738 218 H PHE 25 H PHE 25 12.450 6.867 -25.925 219 HA PHE 25 HA PHE 25 15.315 7.479 -26.276 220 1HB PHE 25 3HB PHE 25 13.920 7.972 -23.637 221 2HB PHE 25 2HB PHE 25 15.544 8.461 -24.115 222 HD1 PHE 25 HD1 PHE 25 15.330 9.744 -26.639 223 HD2 PHE 25 HD2 PHE 25 12.527 9.816 -23.386 224 HE1 PHE 25 HE1 PHE 25 14.439 11.910 -27.455 225 HE2 PHE 25 HE2 PHE 25 11.634 11.979 -24.202 226 HZ PHE 25 HZ PHE 25 12.589 13.027 -26.237 227 HA PRO 26 HA PRO 26 14.315 3.149 -24.957 228 1HB PRO 26 3HB PRO 26 16.036 2.059 -26.810 229 2HB PRO 26 2HB PRO 26 14.319 2.377 -27.110 230 1HG PRO 26 2HG PRO 26 16.711 3.969 -27.989 231 2HG PRO 26 1HG PRO 26 15.173 3.700 -28.830 232 1HD PRO 26 2HD PRO 26 15.756 6.043 -27.469 233 2HD PRO 26 1HD PRO 26 14.113 5.441 -27.719 234 H ASP 27 H ASP 27 16.939 5.265 -24.915 235 HA ASP 27 HA ASP 27 18.670 3.304 -23.497 236 1HB ASP 27 3HB ASP 27 19.230 5.422 -25.318 237 2HB ASP 27 2HB ASP 27 19.974 5.790 -23.767 238 H MET 28 H MET 28 16.838 6.227 -23.223 239 HA MET 28 HA MET 28 17.755 7.140 -20.689 240 1HB MET 28 3HB MET 28 16.206 8.327 -22.390 241 2HB MET 28 2HB MET 28 14.932 7.415 -21.592 242 1HG MET 28 2HG MET 28 15.399 8.403 -19.475 243 2HG MET 28 1HG MET 28 16.912 9.091 -20.062 244 1HE MET 28 1HE MET 28 16.080 11.728 -22.481 245 2HE MET 28 2HE MET 28 15.569 10.192 -23.176 246 3HE MET 28 3HE MET 28 17.015 10.258 -22.172 247 H HIS 29 H HIS 29 17.988 5.281 -19.452 248 HA HIS 29 HA HIS 29 15.822 3.431 -19.091 249 1HB HIS 29 3HB HIS 29 17.268 2.341 -17.524 250 2HB HIS 29 2HB HIS 29 18.245 2.900 -18.881 251 HD1 HIS 29 HD1 HIS 29 18.886 2.566 -15.595 252 HD2 HIS 29 HD2 HIS 29 18.727 6.007 -17.936 253 HE1 HIS 29 HE1 HIS 29 20.266 4.313 -14.394 254 H ASN 30 H ASN 30 15.206 2.876 -16.699 255 HA ASN 30 HA ASN 30 13.358 4.641 -15.727 256 1HB ASN 30 3HB ASN 30 13.896 2.267 -14.912 257 2HB ASN 30 2HB ASN 30 15.033 3.036 -13.805 258 1HD2 ASN 30 1HD2 ASN 30 13.282 1.941 -12.259 259 2HD2 ASN 30 2HD2 ASN 30 11.997 2.947 -11.795 260 H SER 31 H SER 31 16.552 4.376 -14.117 261 HA SER 31 HA SER 31 16.429 6.409 -12.326 262 1HB SER 31 3HB SER 31 18.677 6.244 -12.218 263 2HB SER 31 2HB SER 31 18.497 5.009 -13.457 264 HG SER 31 HG SER 31 19.937 7.008 -13.772 265 H ASN 32 H ASN 32 16.480 6.885 -15.816 266 HA ASN 32 HA ASN 32 16.576 9.820 -15.353 267 1HB ASN 32 3HB ASN 32 17.648 8.150 -17.366 268 2HB ASN 32 2HB ASN 32 16.458 9.207 -18.111 269 1HD2 ASN 32 1HD2 ASN 32 19.696 9.097 -17.424 270 2HD2 ASN 32 2HD2 ASN 32 20.009 10.755 -17.248 271 H ILE 33 H ILE 33 14.689 7.459 -17.261 272 HA ILE 33 HA ILE 33 12.614 9.190 -18.052 273 HB ILE 33 HB ILE 33 12.466 6.280 -17.219 274 1HG1 ILE 33 2HG1 ILE 33 13.964 6.874 -19.138 275 2HG1 ILE 33 1HG1 ILE 33 12.615 5.837 -19.604 276 1HG2 ILE 33 1HG2 ILE 33 10.460 6.960 -19.119 277 2HG2 ILE 33 2HG2 ILE 33 10.360 8.143 -17.815 278 3HG2 ILE 33 3HG2 ILE 33 10.231 6.421 -17.454 279 1HD1 ILE 33 1HD1 ILE 33 11.450 8.231 -19.989 280 2HD1 ILE 33 2HD1 ILE 33 12.389 7.430 -21.245 281 3HD1 ILE 33 3HD1 ILE 33 13.126 8.696 -20.264 282 H SER 34 H SER 34 13.422 7.935 -14.950 283 HA SER 34 HA SER 34 10.985 8.077 -13.552 284 1HB SER 34 3HB SER 34 13.780 7.931 -12.935 285 2HB SER 34 2HB SER 34 13.005 9.086 -11.853 286 HG SER 34 HG SER 34 11.364 7.386 -11.571 287 H LYS 35 H LYS 35 13.404 10.710 -13.982 288 HA LYS 35 HA LYS 35 11.824 12.621 -12.558 289 1HB LYS 35 3HB LYS 35 13.326 14.296 -13.589 290 2HB LYS 35 2HB LYS 35 14.243 12.935 -12.942 291 1HG LYS 35 2HG LYS 35 13.636 12.112 -15.510 292 2HG LYS 35 1HG LYS 35 13.952 13.826 -15.710 293 1HD LYS 35 2HD LYS 35 15.792 11.870 -14.307 294 2HD LYS 35 1HD LYS 35 16.032 12.506 -15.935 295 1HE LYS 35 2HE LYS 35 16.594 14.617 -15.179 296 2HE LYS 35 1HE LYS 35 15.621 14.466 -13.716 297 1HZ LYS 35 1HZ LYS 35 17.893 14.357 -13.093 298 2HZ LYS 35 2HZ LYS 35 18.237 13.185 -14.275 299 3HZ LYS 35 3HZ LYS 35 17.263 12.791 -12.940 300 H ILE 36 H ILE 36 11.841 11.362 -15.753 301 HA ILE 36 HA ILE 36 10.343 13.463 -16.986 302 HB ILE 36 HB ILE 36 11.019 10.667 -17.688 303 1HG1 ILE 36 2HG1 ILE 36 11.524 12.575 -19.745 304 2HG1 ILE 36 1HG1 ILE 36 12.060 13.274 -18.216 305 1HG2 ILE 36 1HG2 ILE 36 8.750 12.226 -18.716 306 2HG2 ILE 36 2HG2 ILE 36 9.071 10.497 -18.844 307 3HG2 ILE 36 3HG2 ILE 36 9.828 11.620 -19.974 308 1HD1 ILE 36 1HD1 ILE 36 13.240 11.051 -17.770 309 2HD1 ILE 36 2HD1 ILE 36 13.928 12.042 -19.058 310 3HD1 ILE 36 3HD1 ILE 36 12.919 10.651 -19.458 311 H LEU 37 H LEU 37 9.465 10.206 -15.937 312 HA LEU 37 HA LEU 37 6.659 10.427 -16.299 313 1HB LEU 37 3HB LEU 37 8.360 8.821 -14.403 314 2HB LEU 37 2HB LEU 37 6.615 8.659 -14.491 315 HG LEU 37 HG LEU 37 8.606 8.156 -16.710 316 1HD1 LEU 37 1HD1 LEU 37 7.379 6.571 -14.665 317 2HD1 LEU 37 2HD1 LEU 37 8.530 6.071 -15.904 318 3HD1 LEU 37 3HD1 LEU 37 6.799 6.026 -16.238 319 1HD2 LEU 37 1HD2 LEU 37 6.840 8.932 -17.997 320 2HD2 LEU 37 2HD2 LEU 37 5.641 8.578 -16.754 321 3HD2 LEU 37 3HD2 LEU 37 6.287 7.275 -17.752 322 H GLY 38 H GLY 38 8.494 10.575 -13.264 323 1HA GLY 38 2HA GLY 38 6.364 11.454 -11.614 324 2HA GLY 38 1HA GLY 38 8.071 11.726 -11.256 325 H SER 39 H SER 39 8.047 13.131 -14.061 326 HA SER 39 HA SER 39 7.195 15.735 -12.950 327 1HB SER 39 3HB SER 39 8.658 16.779 -14.580 328 2HB SER 39 2HB SER 39 9.575 15.527 -13.751 329 HG SER 39 HG SER 39 9.664 14.413 -15.545 330 H ARG 40 H ARG 40 6.446 13.272 -15.124 331 HA ARG 40 HA ARG 40 4.830 14.971 -16.883 332 1HB ARG 40 3HB ARG 40 5.701 12.144 -16.741 333 2HB ARG 40 2HB ARG 40 4.260 12.516 -17.660 334 1HG ARG 40 2HG ARG 40 6.243 14.464 -18.299 335 2HG ARG 40 1HG ARG 40 6.990 12.870 -18.425 336 1HD ARG 40 2HD ARG 40 5.446 12.140 -20.027 337 2HD ARG 40 1HD ARG 40 4.293 13.417 -19.643 338 HE ARG 40 HE ARG 40 6.924 14.120 -20.865 339 1HH1 ARG 40 1HH2 ARG 40 4.859 13.127 -22.814 340 2HH1 ARG 40 2HH2 ARG 40 4.079 14.600 -23.289 341 1HH2 ARG 40 1HH1 ARG 40 5.339 16.431 -20.626 342 2HH2 ARG 40 2HH1 ARG 40 4.352 16.472 -22.047 343 H TRP 41 H TRP 41 4.716 12.736 -14.251 344 HA TRP 41 HA TRP 41 1.918 12.312 -14.039 345 1HB TRP 41 3HB TRP 41 3.783 11.072 -12.861 346 2HB TRP 41 2HB TRP 41 3.928 12.466 -11.797 347 HD1 TRP 41 HD1 TRP 41 2.377 12.435 -9.769 348 HE1 TRP 41 HE1 TRP 41 0.176 11.190 -9.140 349 HE3 TRP 41 HE3 TRP 41 1.525 10.025 -14.114 350 HZ2 TRP 41 HZ2 TRP 41 -1.707 9.379 -10.419 351 HZ3 TRP 41 HZ3 TRP 41 -0.435 8.576 -14.406 352 HH2 TRP 41 HH2 TRP 41 -2.047 8.264 -12.633 353 H LYS 42 H LYS 42 4.063 14.501 -12.207 354 HA LYS 42 HA LYS 42 1.949 15.887 -10.895 355 1HB LYS 42 3HB LYS 42 4.831 16.217 -11.263 356 2HB LYS 42 2HB LYS 42 3.994 17.770 -11.293 357 1HG LYS 42 2HG LYS 42 2.784 17.009 -9.185 358 2HG LYS 42 1HG LYS 42 3.942 15.680 -9.112 359 1HD LYS 42 2HD LYS 42 4.990 18.465 -9.455 360 2HD LYS 42 1HD LYS 42 4.435 17.968 -7.858 361 1HE LYS 42 2HE LYS 42 5.929 15.977 -7.992 362 2HE LYS 42 1HE LYS 42 6.532 16.567 -9.541 363 1HZ LYS 42 1HZ LYS 42 7.155 18.652 -8.363 364 2HZ LYS 42 2HZ LYS 42 8.026 17.282 -7.863 365 3HZ LYS 42 3HZ LYS 42 6.768 17.891 -6.897 366 H ALA 43 H ALA 43 3.218 15.905 -14.074 367 HA ALA 43 HA ALA 43 2.274 18.471 -14.912 368 1HB ALA 43 1HB ALA 43 3.741 17.919 -16.535 369 2HB ALA 43 2HB ALA 43 2.526 16.804 -17.160 370 3HB ALA 43 3HB ALA 43 3.738 16.233 -16.014 371 H MET 44 H MET 44 0.752 15.468 -14.355 372 HA MET 44 HA MET 44 -1.405 15.836 -16.297 373 1HB MET 44 3HB MET 44 -1.438 13.902 -13.991 374 2HB MET 44 2HB MET 44 -2.131 13.718 -15.598 375 1HG MET 44 2HG MET 44 0.259 13.784 -16.490 376 2HG MET 44 1HG MET 44 0.787 13.601 -14.827 377 1HE MET 44 1HE MET 44 -1.908 10.436 -14.368 378 2HE MET 44 2HE MET 44 -2.288 12.143 -14.514 379 3HE MET 44 3HE MET 44 -1.044 11.628 -13.386 380 H THR 45 H THR 45 -3.562 14.951 -14.429 381 HA THR 45 HA THR 45 -3.728 17.479 -12.831 382 HB THR 45 HB THR 45 -6.281 17.099 -13.276 383 HG1 THR 45 HG1 THR 45 -6.423 16.190 -15.474 384 1HG2 THR 45 1HG2 THR 45 -5.390 19.068 -14.141 385 2HG2 THR 45 2HG2 THR 45 -5.821 18.224 -15.628 386 3HG2 THR 45 3HG2 THR 45 -4.150 18.217 -15.063 387 H ASN 46 H ASN 46 -3.582 14.154 -12.613 388 HA ASN 46 HA ASN 46 -3.931 12.736 -10.763 389 1HB ASN 46 3HB ASN 46 -3.719 15.339 -9.661 390 2HB ASN 46 2HB ASN 46 -5.121 14.587 -8.901 391 1HD2 ASN 46 1HD2 ASN 46 -4.181 11.845 -8.993 392 2HD2 ASN 46 2HD2 ASN 46 -2.871 11.715 -7.922 393 H LEU 47 H LEU 47 -6.469 15.241 -10.709 394 HA LEU 47 HA LEU 47 -8.604 13.489 -10.021 395 1HB LEU 47 3HB LEU 47 -8.498 16.131 -11.494 396 2HB LEU 47 2HB LEU 47 -10.023 15.311 -11.167 397 HG LEU 47 HG LEU 47 -9.641 16.885 -9.375 398 1HD1 LEU 47 1HD1 LEU 47 -10.418 14.501 -8.839 399 2HD1 LEU 47 2HD1 LEU 47 -9.768 15.434 -7.491 400 3HD1 LEU 47 3HD1 LEU 47 -8.773 14.206 -8.275 401 1HD2 LEU 47 1HD2 LEU 47 -7.135 16.986 -9.810 402 2HD2 LEU 47 2HD2 LEU 47 -6.994 15.510 -8.857 403 3HD2 LEU 47 3HD2 LEU 47 -7.603 16.986 -8.111 404 H GLU 48 H GLU 48 -6.922 14.103 -12.994 405 HA GLU 48 HA GLU 48 -8.953 12.872 -14.688 406 1HB GLU 48 3HB GLU 48 -7.488 14.663 -15.544 407 2HB GLU 48 2HB GLU 48 -6.093 13.612 -15.308 408 1HG GLU 48 2HG GLU 48 -6.460 12.694 -17.329 409 2HG GLU 48 1HG GLU 48 -8.034 12.128 -16.772 410 H LYS 49 H LYS 49 -6.856 11.628 -12.487 411 HA LYS 49 HA LYS 49 -5.851 9.355 -14.048 412 1HB LYS 49 3HB LYS 49 -5.626 10.257 -11.189 413 2HB LYS 49 2HB LYS 49 -5.144 8.629 -11.650 414 1HG LYS 49 2HG LYS 49 -3.283 10.357 -11.704 415 2HG LYS 49 1HG LYS 49 -3.508 9.449 -13.197 416 1HD LYS 49 2HD LYS 49 -5.076 11.964 -12.931 417 2HD LYS 49 1HD LYS 49 -3.349 12.141 -13.141 418 1HE LYS 49 2HE LYS 49 -3.591 10.451 -15.090 419 2HE LYS 49 1HE LYS 49 -5.310 10.782 -14.994 420 1HZ LYS 49 1HZ LYS 49 -4.934 12.541 -16.255 421 2HZ LYS 49 2HZ LYS 49 -3.251 12.353 -16.135 422 3HZ LYS 49 3HZ LYS 49 -4.093 13.242 -14.958 423 H GLN 50 H GLN 50 -8.723 9.521 -13.989 424 HA GLN 50 HA GLN 50 -9.890 7.823 -12.025 425 1HB GLN 50 3HB GLN 50 -10.929 7.843 -14.836 426 2HB GLN 50 2HB GLN 50 -11.813 7.882 -13.313 427 1HG GLN 50 2HG GLN 50 -10.451 10.189 -13.069 428 2HG GLN 50 1HG GLN 50 -10.562 10.110 -14.828 429 1HE2 GLN 50 1HE2 GLN 50 -12.040 12.104 -14.364 430 2HE2 GLN 50 2HE2 GLN 50 -13.681 11.786 -14.074 431 HA PRO 51 HA PRO 51 -9.188 4.233 -15.102 432 1HB PRO 51 3HB PRO 51 -7.413 4.633 -17.141 433 2HB PRO 51 2HB PRO 51 -9.144 4.956 -17.244 434 1HG PRO 51 2HG PRO 51 -6.900 6.894 -17.021 435 2HG PRO 51 1HG PRO 51 -8.505 7.117 -17.737 436 1HD PRO 51 2HD PRO 51 -7.676 8.014 -15.181 437 2HD PRO 51 1HD PRO 51 -9.345 7.969 -15.786 438 H TYR 52 H TYR 52 -6.101 6.090 -14.968 439 HA TYR 52 HA TYR 52 -4.494 3.735 -14.602 440 1HB TYR 52 3HB TYR 52 -3.696 6.386 -13.438 441 2HB TYR 52 2HB TYR 52 -2.696 5.182 -14.254 442 HD1 TYR 52 HD1 TYR 52 -3.287 8.314 -14.767 443 HD2 TYR 52 HD2 TYR 52 -4.459 4.621 -16.609 444 HE1 TYR 52 HE1 TYR 52 -3.629 9.495 -16.910 445 HE2 TYR 52 HE2 TYR 52 -4.803 5.793 -18.755 446 HH TYR 52 HH TYR 52 -5.094 7.902 -19.675 447 H TYR 53 H TYR 53 -6.714 5.275 -12.603 448 HA TYR 53 HA TYR 53 -5.347 4.598 -10.113 449 1HB TYR 53 3HB TYR 53 -7.765 6.042 -10.917 450 2HB TYR 53 2HB TYR 53 -7.971 5.087 -9.455 451 HD1 TYR 53 HD1 TYR 53 -4.976 6.855 -10.830 452 HD2 TYR 53 HD2 TYR 53 -7.816 6.557 -7.623 453 HE1 TYR 53 HE1 TYR 53 -3.692 8.535 -9.540 454 HE2 TYR 53 HE2 TYR 53 -6.535 8.237 -6.334 455 HH TYR 53 HH TYR 53 -3.946 10.065 -7.750 456 H GLU 54 H GLU 54 -8.468 3.584 -11.511 457 HA GLU 54 HA GLU 54 -8.609 1.231 -9.874 458 1HB GLU 54 3HB GLU 54 -10.486 0.604 -11.300 459 2HB GLU 54 2HB GLU 54 -10.589 2.325 -10.951 460 1HG GLU 54 2HG GLU 54 -10.336 2.878 -13.126 461 2HG GLU 54 1HG GLU 54 -8.977 1.773 -13.323 462 H GLU 55 H GLU 55 -7.023 2.012 -12.846 463 HA GLU 55 HA GLU 55 -6.722 -0.657 -13.847 464 1HB GLU 55 3HB GLU 55 -5.389 1.947 -14.306 465 2HB GLU 55 2HB GLU 55 -4.565 0.498 -14.861 466 1HG GLU 55 2HG GLU 55 -7.419 0.518 -15.521 467 2HG GLU 55 1HG GLU 55 -6.538 1.858 -16.254 468 H GLN 56 H GLN 56 -5.243 1.139 -11.277 469 HA GLN 56 HA GLN 56 -2.851 -0.513 -11.141 470 1HB GLN 56 3HB GLN 56 -2.211 0.843 -9.412 471 2HB GLN 56 2HB GLN 56 -3.378 1.918 -10.149 472 1HG GLN 56 2HG GLN 56 -5.050 1.295 -8.512 473 2HG GLN 56 1HG GLN 56 -4.020 0.016 -7.875 474 1HE2 GLN 56 1HE2 GLN 56 -3.233 0.677 -5.883 475 2HE2 GLN 56 2HE2 GLN 56 -2.640 2.229 -5.535 476 H ALA 57 H ALA 57 -5.789 -0.233 -9.230 477 HA ALA 57 HA ALA 57 -5.431 -2.354 -7.467 478 1HB ALA 57 1HB ALA 57 -8.023 -2.612 -7.759 479 2HB ALA 57 2HB ALA 57 -7.862 -1.198 -8.800 480 3HB ALA 57 3HB ALA 57 -7.377 -1.106 -7.106 481 H ARG 58 H ARG 58 -6.308 -2.483 -10.894 482 HA ARG 58 HA ARG 58 -6.990 -5.296 -10.848 483 1HB ARG 58 3HB ARG 58 -7.236 -5.133 -13.182 484 2HB ARG 58 2HB ARG 58 -7.664 -3.525 -12.605 485 1HG ARG 58 2HG ARG 58 -6.094 -2.687 -13.976 486 2HG ARG 58 1HG ARG 58 -4.871 -3.475 -12.984 487 1HD ARG 58 2HD ARG 58 -4.703 -4.134 -15.373 488 2HD ARG 58 1HD ARG 58 -5.047 -5.513 -14.328 489 HE ARG 58 HE ARG 58 -7.547 -4.888 -15.036 490 1HH1 ARG 58 1HH1 ARG 58 -4.725 -5.705 -16.747 491 2HH1 ARG 58 2HH1 ARG 58 -5.474 -5.668 -18.308 492 1HH2 ARG 58 1HH2 ARG 58 -8.505 -4.473 -17.114 493 2HH2 ARG 58 2HH2 ARG 58 -7.618 -4.969 -18.517 494 H LEU 59 H LEU 59 -4.024 -3.473 -11.220 495 HA LEU 59 HA LEU 59 -2.465 -5.658 -12.289 496 1HB LEU 59 3HB LEU 59 -1.455 -3.314 -10.668 497 2HB LEU 59 2HB LEU 59 -0.568 -4.260 -11.860 498 HG LEU 59 HG LEU 59 -3.090 -2.827 -12.631 499 1HD1 LEU 59 1HD1 LEU 59 -1.197 -1.350 -11.507 500 2HD1 LEU 59 2HD1 LEU 59 -1.996 -0.803 -12.981 501 3HD1 LEU 59 3HD1 LEU 59 -0.405 -1.562 -13.069 502 1HD2 LEU 59 1HD2 LEU 59 -1.596 -4.602 -13.989 503 2HD2 LEU 59 2HD2 LEU 59 -0.697 -3.137 -14.385 504 3HD2 LEU 59 3HD2 LEU 59 -2.410 -3.257 -14.791 505 H SER 60 H SER 60 -3.551 -4.775 -9.102 506 HA SER 60 HA SER 60 -1.559 -6.389 -7.701 507 1HB SER 60 3HB SER 60 -4.187 -5.131 -6.872 508 2HB SER 60 2HB SER 60 -3.243 -6.142 -5.779 509 HG SER 60 HG SER 60 -2.927 -3.609 -6.184 510 H LYS 61 H LYS 61 -4.750 -6.770 -9.055 511 HA LYS 61 HA LYS 61 -5.217 -9.421 -7.947 512 1HB LYS 61 3HB LYS 61 -6.864 -7.569 -8.954 513 2HB LYS 61 2HB LYS 61 -6.579 -8.485 -10.434 514 1HG LYS 61 2HG LYS 61 -7.888 -10.182 -9.730 515 2HG LYS 61 1HG LYS 61 -7.059 -10.252 -8.174 516 1HD LYS 61 2HD LYS 61 -8.656 -9.022 -7.136 517 2HD LYS 61 1HD LYS 61 -8.786 -7.892 -8.484 518 1HE LYS 61 2HE LYS 61 -10.889 -9.126 -8.221 519 2HE LYS 61 1HE LYS 61 -10.114 -9.570 -9.741 520 1HZ LYS 61 1HZ LYS 61 -10.984 -11.433 -8.265 521 2HZ LYS 61 2HZ LYS 61 -9.647 -11.115 -7.268 522 3HZ LYS 61 3HZ LYS 61 -9.412 -11.596 -8.880 523 H GLN 62 H GLN 62 -4.114 -8.099 -11.047 524 HA GLN 62 HA GLN 62 -3.775 -10.735 -12.253 525 1HB GLN 62 3HB GLN 62 -2.799 -7.992 -13.107 526 2HB GLN 62 2HB GLN 62 -2.674 -9.452 -14.088 527 1HG GLN 62 2HG GLN 62 -5.377 -9.109 -13.083 528 2HG GLN 62 1HG GLN 62 -4.855 -7.690 -13.993 529 1HE2 GLN 62 1HE2 GLN 62 -4.249 -8.004 -16.270 530 2HE2 GLN 62 2HE2 GLN 62 -4.714 -9.404 -17.110 531 H HIS 63 H HIS 63 -1.975 -8.868 -10.054 532 HA HIS 63 HA HIS 63 0.666 -9.778 -10.915 533 1HB HIS 63 3HB HIS 63 0.356 -7.659 -9.644 534 2HB HIS 63 2HB HIS 63 -0.197 -8.597 -8.259 535 HD1 HIS 63 HD1 HIS 63 2.320 -10.561 -9.846 536 HD2 HIS 63 HD2 HIS 63 2.415 -7.260 -7.300 537 HE1 HIS 63 HE1 HIS 63 4.644 -10.496 -8.841 538 H LEU 64 H LEU 64 -1.172 -10.354 -7.916 539 HA LEU 64 HA LEU 64 0.340 -12.589 -7.085 540 1HB LEU 64 3HB LEU 64 -2.478 -11.679 -6.537 541 2HB LEU 64 2HB LEU 64 -1.881 -13.195 -5.869 542 HG LEU 64 HG LEU 64 -0.014 -10.953 -5.532 543 1HD1 LEU 64 1HD1 LEU 64 -2.840 -10.639 -4.821 544 2HD1 LEU 64 2HD1 LEU 64 -1.554 -9.434 -4.867 545 3HD1 LEU 64 3HD1 LEU 64 -1.758 -10.452 -3.442 546 1HD2 LEU 64 1HD2 LEU 64 -0.889 -12.153 -3.092 547 2HD2 LEU 64 2HD2 LEU 64 0.642 -12.396 -3.933 548 3HD2 LEU 64 3HD2 LEU 64 -0.739 -13.431 -4.299 549 H GLU 65 H GLU 65 -2.252 -12.342 -9.427 550 HA GLU 65 HA GLU 65 -3.014 -15.043 -9.614 551 1HB GLU 65 3HB GLU 65 -3.885 -14.499 -11.725 552 2HB GLU 65 2HB GLU 65 -3.857 -12.942 -10.905 553 1HG GLU 65 2HG GLU 65 -2.801 -12.288 -12.829 554 2HG GLU 65 1HG GLU 65 -1.385 -12.915 -11.987 555 H LYS 66 H LYS 66 -0.178 -13.361 -10.596 556 HA LYS 66 HA LYS 66 0.908 -15.507 -12.254 557 1HB LYS 66 3HB LYS 66 1.896 -12.874 -11.210 558 2HB LYS 66 2HB LYS 66 3.066 -14.043 -11.820 559 1HG LYS 66 2HG LYS 66 0.922 -13.988 -13.678 560 2HG LYS 66 1HG LYS 66 1.323 -12.309 -13.314 561 1HD LYS 66 2HD LYS 66 3.041 -12.526 -14.761 562 2HD LYS 66 1HD LYS 66 3.807 -13.564 -13.557 563 1HE LYS 66 2HE LYS 66 3.775 -14.929 -15.466 564 2HE LYS 66 1HE LYS 66 2.330 -15.449 -14.598 565 1HZ LYS 66 1HZ LYS 66 1.834 -15.062 -16.917 566 2HZ LYS 66 2HZ LYS 66 2.426 -13.473 -16.814 567 3HZ LYS 66 3HZ LYS 66 1.027 -13.918 -15.959 568 H TYR 67 H TYR 67 1.339 -14.342 -8.938 569 HA TYR 67 HA TYR 67 2.674 -16.939 -8.315 570 1HB TYR 67 3HB TYR 67 3.496 -14.513 -6.787 571 2HB TYR 67 2HB TYR 67 4.427 -15.954 -7.189 572 HD1 TYR 67 HD1 TYR 67 3.115 -12.744 -8.502 573 HD2 TYR 67 HD2 TYR 67 5.682 -16.109 -9.237 574 HE1 TYR 67 HE1 TYR 67 4.113 -11.562 -10.442 575 HE2 TYR 67 HE2 TYR 67 6.678 -14.928 -11.175 576 HH TYR 67 HH TYR 67 6.669 -11.893 -11.680 577 HA PRO 68 HA PRO 68 -0.845 -15.825 -5.454 578 1HB PRO 68 3HB PRO 68 -2.499 -17.878 -6.205 579 2HB PRO 68 2HB PRO 68 -2.538 -16.276 -6.952 580 1HG PRO 68 2HG PRO 68 -1.426 -18.823 -8.034 581 2HG PRO 68 1HG PRO 68 -2.077 -17.426 -8.906 582 1HD PRO 68 2HD PRO 68 0.661 -18.015 -8.561 583 2HD PRO 68 1HD PRO 68 -0.008 -16.455 -9.089 584 H ASP 69 H ASP 69 -0.581 -19.221 -6.399 585 HA ASP 69 HA ASP 69 -0.223 -19.994 -3.607 586 1HB ASP 69 3HB ASP 69 -1.634 -21.164 -5.571 587 2HB ASP 69 2HB ASP 69 -0.109 -22.025 -5.774 588 H TYR 70 H TYR 70 1.938 -18.579 -5.131 589 HA TYR 70 HA TYR 70 3.993 -20.384 -5.860 590 1HB TYR 70 3HB TYR 70 3.701 -17.583 -5.648 591 2HB TYR 70 2HB TYR 70 5.085 -18.006 -4.639 592 HD1 TYR 70 HD1 TYR 70 3.622 -18.817 -8.000 593 HD2 TYR 70 HD2 TYR 70 7.174 -18.251 -5.652 594 HE1 TYR 70 HE1 TYR 70 5.012 -19.124 -10.030 595 HE2 TYR 70 HE2 TYR 70 8.564 -18.557 -7.683 596 HH TYR 70 HH TYR 70 7.596 -19.954 -10.377 Start of MODEL 12 1 HA PRO 1 HA PRO 1 9.374 -10.281 -0.532 2 1HB PRO 1 3HB PRO 1 10.318 -9.293 -3.050 3 2HB PRO 1 2HB PRO 1 11.146 -10.377 -1.922 4 1HG PRO 1 2HG PRO 1 10.064 -11.052 -4.455 5 2HG PRO 1 1HG PRO 1 10.739 -12.139 -3.243 6 1HD PRO 1 2HD PRO 1 7.969 -11.767 -3.972 7 2HD PRO 1 1HD PRO 1 8.694 -13.006 -2.941 8 H HIS 2 H HIS 2 6.635 -9.578 -1.122 9 HA HIS 2 HA HIS 2 5.269 -7.688 -1.375 10 1HB HIS 2 3HB HIS 2 7.856 -6.309 -0.600 11 2HB HIS 2 2HB HIS 2 6.249 -5.589 -0.538 12 HD1 HIS 2 HD1 HIS 2 8.318 -8.315 1.075 13 HD2 HIS 2 HD2 HIS 2 4.719 -6.307 1.704 14 HE1 HIS 2 HE1 HIS 2 7.506 -9.004 3.372 15 H ILE 3 H ILE 3 4.710 -7.396 -3.504 16 HA ILE 3 HA ILE 3 6.723 -6.413 -5.428 17 HB ILE 3 HB ILE 3 3.784 -7.019 -5.863 18 1HG1 ILE 3 2HG1 ILE 3 6.179 -8.793 -6.402 19 2HG1 ILE 3 1HG1 ILE 3 5.164 -8.940 -4.970 20 1HG2 ILE 3 1HG2 ILE 3 5.795 -7.317 -8.014 21 2HG2 ILE 3 2HG2 ILE 3 5.500 -5.659 -7.488 22 3HG2 ILE 3 3HG2 ILE 3 4.165 -6.647 -8.082 23 1HD1 ILE 3 1HD1 ILE 3 3.178 -9.129 -6.577 24 2HD1 ILE 3 2HD1 ILE 3 4.276 -10.509 -6.532 25 3HD1 ILE 3 3HD1 ILE 3 4.371 -9.349 -7.858 26 H LYS 4 H LYS 4 7.094 -4.265 -4.938 27 HA LYS 4 HA LYS 4 4.819 -2.469 -4.437 28 1HB LYS 4 3HB LYS 4 7.392 -2.479 -3.519 29 2HB LYS 4 2HB LYS 4 7.507 -1.298 -4.824 30 1HG LYS 4 2HG LYS 4 6.019 0.167 -3.815 31 2HG LYS 4 1HG LYS 4 5.194 -1.116 -2.929 32 1HD LYS 4 2HD LYS 4 6.659 0.412 -1.516 33 2HD LYS 4 1HD LYS 4 6.997 -1.312 -1.360 34 1HE LYS 4 2HE LYS 4 8.504 -0.106 -3.547 35 2HE LYS 4 1HE LYS 4 8.851 0.671 -2.003 36 1HZ LYS 4 1HZ LYS 4 8.706 -2.161 -1.748 37 2HZ LYS 4 2HZ LYS 4 9.961 -1.102 -1.313 38 3HZ LYS 4 3HZ LYS 4 9.869 -1.710 -2.898 39 H ARG 5 H ARG 5 4.751 -3.623 -6.996 40 HA ARG 5 HA ARG 5 5.810 -1.640 -8.891 41 1HB ARG 5 3HB ARG 5 4.905 -4.342 -9.061 42 2HB ARG 5 2HB ARG 5 3.901 -3.368 -10.136 43 1HG ARG 5 2HG ARG 5 6.934 -3.329 -10.095 44 2HG ARG 5 1HG ARG 5 5.954 -4.204 -11.272 45 1HD ARG 5 2HD ARG 5 4.866 -2.024 -11.890 46 2HD ARG 5 1HD ARG 5 6.009 -1.206 -10.828 47 HE ARG 5 HE ARG 5 7.225 -1.216 -12.892 48 1HH1 ARG 5 1HH1 ARG 5 5.470 -3.768 -13.678 49 2HH1 ARG 5 2HH1 ARG 5 6.760 -4.866 -14.037 50 1HH2 ARG 5 1HH2 ARG 5 9.208 -2.879 -12.597 51 2HH2 ARG 5 2HH2 ARG 5 8.876 -4.364 -13.426 52 HA PRO 6 HA PRO 6 1.168 -0.635 -9.290 53 1HB PRO 6 3HB PRO 6 -0.593 -2.029 -7.712 54 2HB PRO 6 2HB PRO 6 -0.100 -2.572 -9.326 55 1HG PRO 6 2HG PRO 6 0.698 -3.634 -6.662 56 2HG PRO 6 1HG PRO 6 0.670 -4.453 -8.232 57 1HD PRO 6 2HD PRO 6 2.961 -3.416 -6.915 58 2HD PRO 6 1HD PRO 6 2.879 -3.995 -8.591 59 H MET 7 H MET 7 2.489 0.980 -7.857 60 HA MET 7 HA MET 7 1.641 1.076 -5.059 61 1HB MET 7 3HB MET 7 3.608 2.476 -6.763 62 2HB MET 7 2HB MET 7 3.058 3.287 -5.305 63 1HG MET 7 2HG MET 7 3.519 0.754 -4.390 64 2HG MET 7 1HG MET 7 4.777 0.909 -5.614 65 1HE MET 7 1HE MET 7 5.349 4.631 -4.890 66 2HE MET 7 2HE MET 7 5.335 3.327 -6.075 67 3HE MET 7 3HE MET 7 6.779 3.615 -5.107 68 H ASN 8 H ASN 8 0.960 2.610 -8.105 69 HA ASN 8 HA ASN 8 -1.468 3.777 -7.149 70 1HB ASN 8 3HB ASN 8 0.458 5.172 -6.118 71 2HB ASN 8 2HB ASN 8 0.596 5.819 -7.735 72 1HD2 ASN 8 1HD2 ASN 8 -0.230 7.952 -7.164 73 2HD2 ASN 8 2HD2 ASN 8 -1.848 8.188 -6.707 74 H ALA 9 H ALA 9 -1.959 5.742 -8.829 75 HA ALA 9 HA ALA 9 -2.171 4.513 -11.406 76 1HB ALA 9 1HB ALA 9 -3.484 6.514 -10.169 77 2HB ALA 9 2HB ALA 9 -3.485 6.324 -11.918 78 3HB ALA 9 3HB ALA 9 -2.383 7.468 -11.162 79 H PHE 10 H PHE 10 0.255 6.372 -9.886 80 HA PHE 10 HA PHE 10 1.488 7.606 -12.121 81 1HB PHE 10 3HB PHE 10 1.869 8.097 -9.745 82 2HB PHE 10 2HB PHE 10 2.736 6.580 -9.591 83 HD1 PHE 10 HD1 PHE 10 4.643 6.228 -11.454 84 HD2 PHE 10 HD2 PHE 10 3.101 10.016 -10.146 85 HE1 PHE 10 HE1 PHE 10 6.714 7.339 -12.235 86 HE2 PHE 10 HE2 PHE 10 5.167 11.127 -10.923 87 HZ PHE 10 HZ PHE 10 6.980 9.787 -11.970 88 H MET 11 H MET 11 2.763 4.805 -10.324 89 HA MET 11 HA MET 11 4.534 4.027 -12.423 90 1HB MET 11 3HB MET 11 3.277 2.390 -10.192 91 2HB MET 11 2HB MET 11 4.583 1.816 -11.229 92 1HG MET 11 2HG MET 11 5.852 3.938 -10.497 93 2HG MET 11 1HG MET 11 4.644 4.065 -9.217 94 1HE MET 11 1HE MET 11 7.242 0.794 -10.493 95 2HE MET 11 2HE MET 11 8.313 1.931 -9.678 96 3HE MET 11 3HE MET 11 7.249 2.499 -10.961 97 H VAL 12 H VAL 12 1.161 3.857 -12.041 98 HA VAL 12 HA VAL 12 0.766 1.572 -13.793 99 HB VAL 12 HB VAL 12 -0.978 3.588 -12.397 100 1HG1 VAL 12 1HG1 VAL 12 -1.939 3.274 -14.647 101 2HG1 VAL 12 2HG1 VAL 12 -2.969 2.593 -13.388 102 3HG1 VAL 12 3HG1 VAL 12 -1.969 1.532 -14.381 103 1HG2 VAL 12 1HG2 VAL 12 -0.715 0.575 -12.329 104 2HG2 VAL 12 2HG2 VAL 12 -1.959 1.468 -11.453 105 3HG2 VAL 12 3HG2 VAL 12 -0.255 1.715 -11.065 106 H TRP 13 H TRP 13 0.338 5.061 -13.863 107 HA TRP 13 HA TRP 13 -0.328 4.980 -16.735 108 1HB TRP 13 3HB TRP 13 -1.427 6.766 -15.871 109 2HB TRP 13 2HB TRP 13 -0.315 6.918 -14.525 110 HD1 TRP 13 HD1 TRP 13 -1.308 8.500 -17.647 111 HE1 TRP 13 HE1 TRP 13 0.298 10.402 -18.212 112 HE3 TRP 13 HE3 TRP 13 2.529 7.513 -14.415 113 HZ2 TRP 13 HZ2 TRP 13 2.868 11.379 -17.490 114 HZ3 TRP 13 HZ3 TRP 13 4.540 8.936 -14.389 115 HH2 TRP 13 HH2 TRP 13 4.710 10.873 -15.913 116 H ALA 14 H ALA 14 2.397 5.689 -14.692 117 HA ALA 14 HA ALA 14 4.095 6.793 -16.728 118 1HB ALA 14 1HB ALA 14 5.283 5.497 -14.340 119 2HB ALA 14 2HB ALA 14 4.166 6.831 -14.056 120 3HB ALA 14 3HB ALA 14 5.603 7.081 -15.044 121 H LYS 15 H LYS 15 3.390 3.470 -15.775 122 HA LYS 15 HA LYS 15 5.823 2.374 -16.811 123 1HB LYS 15 3HB LYS 15 4.590 0.217 -16.897 124 2HB LYS 15 2HB LYS 15 4.383 1.031 -15.346 125 1HG LYS 15 2HG LYS 15 2.263 2.046 -16.314 126 2HG LYS 15 1HG LYS 15 2.425 0.902 -17.644 127 1HD LYS 15 2HD LYS 15 2.578 -0.118 -14.827 128 2HD LYS 15 1HD LYS 15 0.997 0.265 -15.509 129 1HE LYS 15 2HE LYS 15 2.895 -1.379 -17.143 130 2HE LYS 15 1HE LYS 15 2.045 -2.154 -15.806 131 1HZ LYS 15 1HZ LYS 15 0.099 -0.726 -17.025 132 2HZ LYS 15 2HZ LYS 15 0.388 -2.385 -17.254 133 3HZ LYS 15 3HZ LYS 15 1.035 -1.249 -18.339 134 H ASP 16 H ASP 16 2.843 3.436 -18.217 135 HA ASP 16 HA ASP 16 3.644 2.373 -20.854 136 1HB ASP 16 3HB ASP 16 1.148 2.718 -19.677 137 2HB ASP 16 2HB ASP 16 1.267 4.085 -20.785 138 H GLU 17 H GLU 17 3.326 5.284 -18.993 139 HA GLU 17 HA GLU 17 3.786 7.156 -21.123 140 1HB GLU 17 3HB GLU 17 3.345 7.163 -18.308 141 2HB GLU 17 2HB GLU 17 4.790 8.113 -18.628 142 1HG GLU 17 2HG GLU 17 2.762 8.654 -20.603 143 2HG GLU 17 1HG GLU 17 2.116 8.873 -18.981 144 H ARG 18 H ARG 18 5.815 5.274 -18.953 145 HA ARG 18 HA ARG 18 8.300 6.570 -19.802 146 1HB ARG 18 3HB ARG 18 9.416 5.045 -18.381 147 2HB ARG 18 2HB ARG 18 7.874 5.289 -17.569 148 1HG ARG 18 2HG ARG 18 7.927 2.991 -17.534 149 2HG ARG 18 1HG ARG 18 7.172 3.214 -19.108 150 1HD ARG 18 2HD ARG 18 9.355 3.021 -20.211 151 2HD ARG 18 1HD ARG 18 10.151 2.881 -18.643 152 HE ARG 18 HE ARG 18 8.883 0.721 -18.356 153 1HH1 ARG 18 1HH1 ARG 18 10.881 0.782 -20.748 154 2HH1 ARG 18 2HH1 ARG 18 9.960 -0.091 -21.927 155 1HH2 ARG 18 1HH2 ARG 18 6.975 0.178 -20.183 156 2HH2 ARG 18 2HH2 ARG 18 7.748 -0.432 -21.607 157 H ARG 19 H ARG 19 6.375 3.784 -20.614 158 HA ARG 19 HA ARG 19 8.235 2.673 -22.506 159 1HB ARG 19 3HB ARG 19 6.686 1.015 -22.588 160 2HB ARG 19 2HB ARG 19 5.859 1.871 -21.309 161 1HG ARG 19 2HG ARG 19 4.099 2.258 -22.649 162 2HG ARG 19 1HG ARG 19 5.113 3.011 -23.863 163 1HD ARG 19 2HD ARG 19 5.691 0.279 -24.058 164 2HD ARG 19 1HD ARG 19 3.941 0.364 -23.852 165 HE ARG 19 HE ARG 19 5.083 2.189 -25.868 166 1HH1 ARG 19 1HH2 ARG 19 2.315 0.651 -25.342 167 2HH1 ARG 19 2HH2 ARG 19 2.243 -0.248 -26.820 168 1HH2 ARG 19 1HH1 ARG 19 5.538 0.402 -27.684 169 2HH2 ARG 19 2HH1 ARG 19 4.069 -0.389 -28.147 170 H LYS 20 H LYS 20 5.552 4.933 -22.549 171 HA LYS 20 HA LYS 20 5.596 5.380 -25.384 172 1HB LYS 20 3HB LYS 20 4.233 6.529 -23.027 173 2HB LYS 20 2HB LYS 20 4.420 7.614 -24.408 174 1HG LYS 20 2HG LYS 20 3.419 5.928 -25.878 175 2HG LYS 20 1HG LYS 20 3.227 4.833 -24.511 176 1HD LYS 20 2HD LYS 20 1.112 5.942 -24.843 177 2HD LYS 20 1HD LYS 20 1.843 6.612 -23.384 178 1HE LYS 20 2HE LYS 20 2.646 8.026 -25.827 179 2HE LYS 20 1HE LYS 20 0.911 8.101 -25.519 180 1HZ LYS 20 1HZ LYS 20 1.699 9.859 -24.292 181 2HZ LYS 20 2HZ LYS 20 3.135 9.066 -23.852 182 3HZ LYS 20 3HZ LYS 20 1.663 8.634 -23.122 183 H ILE 21 H ILE 21 7.428 6.562 -22.740 184 HA ILE 21 HA ILE 21 8.448 8.830 -24.340 185 HB ILE 21 HB ILE 21 8.171 8.259 -21.501 186 1HG1 ILE 21 2HG1 ILE 21 9.177 10.892 -22.295 187 2HG1 ILE 21 1HG1 ILE 21 7.786 10.366 -23.245 188 1HG2 ILE 21 1HG2 ILE 21 10.840 9.443 -22.280 189 2HG2 ILE 21 2HG2 ILE 21 10.641 7.761 -21.793 190 3HG2 ILE 21 3HG2 ILE 21 10.262 9.056 -20.659 191 1HD1 ILE 21 1HD1 ILE 21 7.800 10.126 -20.238 192 2HD1 ILE 21 2HD1 ILE 21 6.418 10.138 -21.333 193 3HD1 ILE 21 3HD1 ILE 21 7.316 11.625 -21.030 194 H LEU 22 H LEU 22 9.364 5.751 -23.043 195 HA LEU 22 HA LEU 22 12.162 5.833 -23.503 196 1HB LEU 22 3HB LEU 22 10.622 4.067 -22.394 197 2HB LEU 22 2HB LEU 22 10.476 3.413 -24.017 198 HG LEU 22 HG LEU 22 13.032 3.527 -24.096 199 1HD1 LEU 22 1HD1 LEU 22 13.499 3.087 -21.371 200 2HD1 LEU 22 2HD1 LEU 22 12.455 4.508 -21.423 201 3HD1 LEU 22 3HD1 LEU 22 13.984 4.505 -22.301 202 1HD2 LEU 22 1HD2 LEU 22 13.063 1.318 -23.441 203 2HD2 LEU 22 2HD2 LEU 22 11.325 1.574 -23.607 204 3HD2 LEU 22 3HD2 LEU 22 12.075 1.624 -22.011 205 H GLN 23 H GLN 23 9.434 5.390 -25.593 206 HA GLN 23 HA GLN 23 10.830 4.321 -27.845 207 1HB GLN 23 3HB GLN 23 8.896 4.898 -29.113 208 2HB GLN 23 2HB GLN 23 8.312 4.403 -27.532 209 1HG GLN 23 2HG GLN 23 8.298 6.777 -26.853 210 2HG GLN 23 1HG GLN 23 8.757 7.225 -28.489 211 1HE2 GLN 23 1HE2 GLN 23 6.138 7.740 -26.967 212 2HE2 GLN 23 2HE2 GLN 23 4.932 7.124 -27.991 213 H ALA 24 H ALA 24 10.056 7.416 -26.655 214 HA ALA 24 HA ALA 24 11.425 8.856 -28.793 215 1HB ALA 24 1HB ALA 24 9.358 9.758 -27.735 216 2HB ALA 24 2HB ALA 24 10.722 10.869 -27.595 217 3HB ALA 24 3HB ALA 24 10.233 9.893 -26.210 218 H PHE 25 H PHE 25 12.261 7.327 -25.911 219 HA PHE 25 HA PHE 25 14.944 8.483 -26.003 220 1HB PHE 25 3HB PHE 25 13.262 8.598 -23.477 221 2HB PHE 25 2HB PHE 25 14.959 9.065 -23.612 222 HD1 PHE 25 HD1 PHE 25 15.622 11.128 -24.683 223 HD2 PHE 25 HD2 PHE 25 11.500 9.927 -24.598 224 HE1 PHE 25 HE1 PHE 25 14.948 13.392 -25.435 225 HE2 PHE 25 HE2 PHE 25 10.824 12.192 -25.350 226 HZ PHE 25 HZ PHE 25 12.549 13.924 -25.770 227 HA PRO 26 HA PRO 26 14.526 3.955 -25.082 228 1HB PRO 26 3HB PRO 26 16.146 3.190 -27.161 229 2HB PRO 26 2HB PRO 26 14.391 3.368 -27.282 230 1HG PRO 26 2HG PRO 26 16.535 5.212 -28.267 231 2HG PRO 26 1HG PRO 26 14.927 4.899 -28.945 232 1HD PRO 26 2HD PRO 26 15.575 7.147 -27.419 233 2HD PRO 26 1HD PRO 26 13.933 6.527 -27.646 234 H ASP 27 H ASP 27 16.843 6.352 -25.052 235 HA ASP 27 HA ASP 27 18.977 4.544 -24.047 236 1HB ASP 27 3HB ASP 27 19.042 6.858 -25.661 237 2HB ASP 27 2HB ASP 27 19.745 7.294 -24.107 238 H MET 28 H MET 28 16.914 7.269 -23.308 239 HA MET 28 HA MET 28 17.867 7.759 -20.653 240 1HB MET 28 3HB MET 28 16.194 9.146 -22.183 241 2HB MET 28 2HB MET 28 15.016 8.187 -21.295 242 1HG MET 28 2HG MET 28 15.644 9.053 -19.226 243 2HG MET 28 1HG MET 28 17.232 9.545 -19.808 244 1HE MET 28 1HE MET 28 13.339 11.358 -21.318 245 2HE MET 28 2HE MET 28 13.746 9.671 -21.014 246 3HE MET 28 3HE MET 28 14.418 10.494 -22.416 247 H HIS 29 H HIS 29 18.093 5.836 -19.643 248 HA HIS 29 HA HIS 29 16.034 3.817 -19.687 249 1HB HIS 29 3HB HIS 29 17.515 2.567 -18.280 250 2HB HIS 29 2HB HIS 29 18.493 3.411 -19.480 251 HD1 HIS 29 HD1 HIS 29 19.329 2.544 -16.436 252 HD2 HIS 29 HD2 HIS 29 18.450 6.369 -17.840 253 HE1 HIS 29 HE1 HIS 29 20.465 4.167 -14.855 254 H ASN 30 H ASN 30 15.789 2.868 -17.169 255 HA ASN 30 HA ASN 30 13.678 4.329 -16.049 256 1HB ASN 30 3HB ASN 30 13.955 2.028 -15.459 257 2HB ASN 30 2HB ASN 30 15.562 2.324 -14.797 258 1HD2 ASN 30 1HD2 ASN 30 14.470 1.281 -12.788 259 2HD2 ASN 30 2HD2 ASN 30 13.635 2.321 -11.739 260 H SER 31 H SER 31 16.841 4.007 -14.385 261 HA SER 31 HA SER 31 16.589 5.819 -12.383 262 1HB SER 31 3HB SER 31 18.815 5.609 -12.194 263 2HB SER 31 2HB SER 31 18.752 4.651 -13.666 264 HG SER 31 HG SER 31 19.998 6.896 -13.338 265 H ASN 32 H ASN 32 16.752 6.692 -15.784 266 HA ASN 32 HA ASN 32 16.759 9.559 -15.013 267 1HB ASN 32 3HB ASN 32 17.814 8.079 -17.229 268 2HB ASN 32 2HB ASN 32 16.750 9.359 -17.793 269 1HD2 ASN 32 1HD2 ASN 32 19.519 8.817 -15.558 270 2HD2 ASN 32 2HD2 ASN 32 20.157 10.381 -15.734 271 H ILE 33 H ILE 33 14.942 7.266 -17.046 272 HA ILE 33 HA ILE 33 12.875 8.992 -17.874 273 HB ILE 33 HB ILE 33 12.828 6.053 -17.166 274 1HG1 ILE 33 2HG1 ILE 33 14.161 6.998 -19.146 275 2HG1 ILE 33 1HG1 ILE 33 13.007 5.717 -19.518 276 1HG2 ILE 33 1HG2 ILE 33 10.566 6.331 -17.054 277 2HG2 ILE 33 2HG2 ILE 33 10.677 6.435 -18.810 278 3HG2 ILE 33 3HG2 ILE 33 10.624 7.908 -17.841 279 1HD1 ILE 33 1HD1 ILE 33 12.731 7.484 -21.156 280 2HD1 ILE 33 2HD1 ILE 33 12.593 8.697 -19.884 281 3HD1 ILE 33 3HD1 ILE 33 11.326 7.490 -20.093 282 H SER 34 H SER 34 13.586 7.692 -14.753 283 HA SER 34 HA SER 34 11.084 7.819 -13.460 284 1HB SER 34 3HB SER 34 13.882 7.796 -12.699 285 2HB SER 34 2HB SER 34 12.946 8.842 -11.635 286 HG SER 34 HG SER 34 12.839 6.094 -12.011 287 H LYS 35 H LYS 35 13.519 10.407 -13.876 288 HA LYS 35 HA LYS 35 11.898 12.411 -12.620 289 1HB LYS 35 3HB LYS 35 14.109 12.802 -14.658 290 2HB LYS 35 2HB LYS 35 13.508 14.005 -13.516 291 1HG LYS 35 2HG LYS 35 14.690 11.367 -12.627 292 2HG LYS 35 1HG LYS 35 15.663 12.822 -12.838 293 1HD LYS 35 2HD LYS 35 15.074 13.441 -10.757 294 2HD LYS 35 1HD LYS 35 13.420 13.632 -11.341 295 1HE LYS 35 2HE LYS 35 12.859 11.983 -9.906 296 2HE LYS 35 1HE LYS 35 13.684 10.883 -11.011 297 1HZ LYS 35 1HZ LYS 35 15.103 12.370 -8.878 298 2HZ LYS 35 2HZ LYS 35 15.667 11.047 -9.785 299 3HZ LYS 35 3HZ LYS 35 14.442 10.828 -8.630 300 H ILE 36 H ILE 36 12.093 10.994 -15.745 301 HA ILE 36 HA ILE 36 10.728 13.059 -17.183 302 HB ILE 36 HB ILE 36 11.379 10.213 -17.693 303 1HG1 ILE 36 2HG1 ILE 36 12.354 11.459 -19.782 304 2HG1 ILE 36 1HG1 ILE 36 12.135 12.899 -18.789 305 1HG2 ILE 36 1HG2 ILE 36 9.444 10.056 -18.906 306 2HG2 ILE 36 2HG2 ILE 36 10.358 10.992 -20.090 307 3HG2 ILE 36 3HG2 ILE 36 9.250 11.808 -18.987 308 1HD1 ILE 36 1HD1 ILE 36 13.890 10.503 -18.258 309 2HD1 ILE 36 2HD1 ILE 36 13.389 11.572 -16.949 310 3HD1 ILE 36 3HD1 ILE 36 14.338 12.207 -18.292 311 H LEU 37 H LEU 37 9.722 9.907 -15.945 312 HA LEU 37 HA LEU 37 6.936 10.140 -16.467 313 1HB LEU 37 3HB LEU 37 8.559 8.662 -14.410 314 2HB LEU 37 2HB LEU 37 6.803 8.576 -14.440 315 HG LEU 37 HG LEU 37 8.662 7.841 -16.711 316 1HD1 LEU 37 1HD1 LEU 37 6.888 5.778 -15.817 317 2HD1 LEU 37 2HD1 LEU 37 7.744 6.439 -14.424 318 3HD1 LEU 37 3HD1 LEU 37 8.653 5.797 -15.792 319 1HD2 LEU 37 1HD2 LEU 37 6.028 6.889 -17.129 320 2HD2 LEU 37 2HD2 LEU 37 6.864 8.143 -18.045 321 3HD2 LEU 37 3HD2 LEU 37 5.864 8.581 -16.661 322 H GLY 38 H GLY 38 8.683 10.580 -13.412 323 1HA GLY 38 2HA GLY 38 6.561 11.668 -11.912 324 2HA GLY 38 1HA GLY 38 8.260 12.006 -11.592 325 H SER 39 H SER 39 8.219 13.025 -14.568 326 HA SER 39 HA SER 39 7.339 15.741 -13.810 327 1HB SER 39 3HB SER 39 8.827 16.562 -15.545 328 2HB SER 39 2HB SER 39 9.728 15.416 -14.557 329 HG SER 39 HG SER 39 9.931 15.087 -16.855 330 H ARG 40 H ARG 40 6.664 13.021 -15.721 331 HA ARG 40 HA ARG 40 5.053 14.474 -17.678 332 1HB ARG 40 3HB ARG 40 5.785 11.640 -17.136 333 2HB ARG 40 2HB ARG 40 4.567 12.052 -18.316 334 1HG ARG 40 2HG ARG 40 7.238 13.407 -18.352 335 2HG ARG 40 1HG ARG 40 7.037 11.827 -19.095 336 1HD ARG 40 2HD ARG 40 5.607 12.620 -20.728 337 2HD ARG 40 1HD ARG 40 5.052 13.966 -19.740 338 HE ARG 40 HE ARG 40 7.536 13.914 -21.354 339 1HH1 ARG 40 1HH1 ARG 40 6.888 15.229 -18.403 340 2HH1 ARG 40 2HH1 ARG 40 6.978 16.888 -18.891 341 1HH2 ARG 40 1HH2 ARG 40 7.058 16.165 -22.280 342 2HH2 ARG 40 2HH2 ARG 40 7.073 17.418 -21.083 343 H TRP 41 H TRP 41 4.921 12.635 -14.775 344 HA TRP 41 HA TRP 41 2.120 12.161 -14.555 345 1HB TRP 41 3HB TRP 41 3.957 11.073 -13.246 346 2HB TRP 41 2HB TRP 41 4.162 12.585 -12.375 347 HD1 TRP 41 HD1 TRP 41 2.794 12.699 -10.223 348 HE1 TRP 41 HE1 TRP 41 0.577 11.639 -9.381 349 HE3 TRP 41 HE3 TRP 41 1.478 10.151 -14.360 350 HZ2 TRP 41 HZ2 TRP 41 -1.503 9.898 -10.417 351 HZ3 TRP 41 HZ3 TRP 41 -0.593 8.798 -14.437 352 HH2 TRP 41 HH2 TRP 41 -2.082 8.680 -12.535 353 H LYS 42 H LYS 42 4.183 14.480 -12.804 354 HA LYS 42 HA LYS 42 2.072 15.959 -11.643 355 1HB LYS 42 3HB LYS 42 4.875 16.118 -11.728 356 2HB LYS 42 2HB LYS 42 4.322 17.642 -12.423 357 1HG LYS 42 2HG LYS 42 4.483 17.963 -10.063 358 2HG LYS 42 1HG LYS 42 2.767 17.866 -10.440 359 1HD LYS 42 2HD LYS 42 2.767 16.339 -8.734 360 2HD LYS 42 1HD LYS 42 3.302 15.245 -10.010 361 1HE LYS 42 2HE LYS 42 5.688 16.284 -9.304 362 2HE LYS 42 1HE LYS 42 4.848 16.428 -7.761 363 1HZ LYS 42 1HZ LYS 42 5.952 14.138 -8.906 364 2HZ LYS 42 2HZ LYS 42 4.267 13.922 -8.882 365 3HZ LYS 42 3HZ LYS 42 5.103 14.268 -7.444 366 H ALA 43 H ALA 43 3.569 15.929 -14.733 367 HA ALA 43 HA ALA 43 2.487 18.348 -15.766 368 1HB ALA 43 1HB ALA 43 4.367 17.516 -16.903 369 2HB ALA 43 2HB ALA 43 3.034 17.159 -18.002 370 3HB ALA 43 3HB ALA 43 3.702 15.885 -16.980 371 H MET 44 H MET 44 0.908 15.557 -14.862 372 HA MET 44 HA MET 44 -0.952 15.290 -17.059 373 1HB MET 44 3HB MET 44 -1.092 14.339 -14.178 374 2HB MET 44 2HB MET 44 -2.212 13.865 -15.452 375 1HG MET 44 2HG MET 44 0.371 13.469 -16.510 376 2HG MET 44 1HG MET 44 0.402 12.808 -14.875 377 1HE MET 44 1HE MET 44 -1.823 11.935 -13.974 378 2HE MET 44 2HE MET 44 -2.647 10.568 -14.715 379 3HE MET 44 3HE MET 44 -3.179 12.207 -15.076 380 H THR 45 H THR 45 -3.316 15.250 -15.078 381 HA THR 45 HA THR 45 -3.594 18.169 -14.602 382 HB THR 45 HB THR 45 -5.996 17.716 -15.694 383 HG1 THR 45 HG1 THR 45 -5.949 16.192 -17.180 384 1HG2 THR 45 1HG2 THR 45 -3.708 18.189 -17.577 385 2HG2 THR 45 2HG2 THR 45 -3.994 19.332 -16.265 386 3HG2 THR 45 3HG2 THR 45 -5.250 19.038 -17.468 387 H ASN 46 H ASN 46 -3.784 15.255 -13.272 388 HA ASN 46 HA ASN 46 -4.800 14.565 -11.256 389 1HB ASN 46 3HB ASN 46 -5.283 17.367 -11.329 390 2HB ASN 46 2HB ASN 46 -6.807 16.588 -10.901 391 1HD2 ASN 46 1HD2 ASN 46 -7.013 16.322 -8.678 392 2HD2 ASN 46 2HD2 ASN 46 -5.730 16.035 -7.603 393 H LEU 47 H LEU 47 -7.243 16.270 -13.235 394 HA LEU 47 HA LEU 47 -9.329 14.386 -12.767 395 1HB LEU 47 3HB LEU 47 -9.102 16.765 -14.168 396 2HB LEU 47 2HB LEU 47 -9.359 15.580 -15.449 397 HG LEU 47 HG LEU 47 -11.081 15.386 -13.016 398 1HD1 LEU 47 1HD1 LEU 47 -11.441 17.670 -13.296 399 2HD1 LEU 47 2HD1 LEU 47 -12.648 17.002 -14.395 400 3HD1 LEU 47 3HD1 LEU 47 -11.120 17.611 -15.029 401 1HD2 LEU 47 1HD2 LEU 47 -10.942 14.173 -15.535 402 2HD2 LEU 47 2HD2 LEU 47 -12.309 15.279 -15.660 403 3HD2 LEU 47 3HD2 LEU 47 -12.282 14.052 -14.394 404 H GLU 48 H GLU 48 -6.760 14.529 -15.180 405 HA GLU 48 HA GLU 48 -7.688 12.208 -16.655 406 1HB GLU 48 3HB GLU 48 -6.228 13.951 -17.666 407 2HB GLU 48 2HB GLU 48 -4.932 13.473 -16.570 408 1HG GLU 48 2HG GLU 48 -5.003 11.178 -17.515 409 2HG GLU 48 1HG GLU 48 -6.252 11.700 -18.647 410 H LYS 49 H LYS 49 -6.344 12.590 -13.624 411 HA LYS 49 HA LYS 49 -4.704 10.145 -13.619 412 1HB LYS 49 3HB LYS 49 -4.965 12.477 -11.986 413 2HB LYS 49 2HB LYS 49 -5.318 11.070 -10.982 414 1HG LYS 49 2HG LYS 49 -3.190 10.277 -11.110 415 2HG LYS 49 1HG LYS 49 -2.998 10.777 -12.790 416 1HD LYS 49 2HD LYS 49 -1.668 12.411 -11.942 417 2HD LYS 49 1HD LYS 49 -3.186 13.198 -11.510 418 1HE LYS 49 2HE LYS 49 -2.982 11.590 -9.387 419 2HE LYS 49 1HE LYS 49 -1.267 11.703 -9.779 420 1HZ LYS 49 1HZ LYS 49 -1.478 13.535 -8.485 421 2HZ LYS 49 2HZ LYS 49 -3.113 13.778 -8.875 422 3HZ LYS 49 3HZ LYS 49 -1.898 14.238 -9.970 423 H GLN 50 H GLN 50 -7.939 11.118 -13.006 424 HA GLN 50 HA GLN 50 -8.833 9.261 -11.126 425 1HB GLN 50 3HB GLN 50 -10.693 10.431 -11.559 426 2HB GLN 50 2HB GLN 50 -9.980 11.062 -13.039 427 1HG GLN 50 2HG GLN 50 -10.742 9.108 -14.280 428 2HG GLN 50 1HG GLN 50 -11.380 8.390 -12.801 429 1HE2 GLN 50 1HE2 GLN 50 -11.779 11.240 -14.953 430 2HE2 GLN 50 2HE2 GLN 50 -13.400 11.522 -14.536 431 HA PRO 51 HA PRO 51 -9.593 6.101 -14.660 432 1HB PRO 51 3HB PRO 51 -8.047 6.373 -16.908 433 2HB PRO 51 2HB PRO 51 -9.679 7.022 -16.724 434 1HG PRO 51 2HG PRO 51 -7.072 8.466 -16.640 435 2HG PRO 51 1HG PRO 51 -8.666 9.059 -17.134 436 1HD PRO 51 2HD PRO 51 -7.440 9.570 -14.671 437 2HD PRO 51 1HD PRO 51 -9.165 9.789 -15.012 438 H TYR 52 H TYR 52 -6.161 7.204 -14.911 439 HA TYR 52 HA TYR 52 -5.109 4.535 -14.823 440 1HB TYR 52 3HB TYR 52 -3.630 6.874 -13.646 441 2HB TYR 52 2HB TYR 52 -2.992 5.513 -14.568 442 HD1 TYR 52 HD1 TYR 52 -4.893 5.463 -16.852 443 HD2 TYR 52 HD2 TYR 52 -2.960 8.747 -14.885 444 HE1 TYR 52 HE1 TYR 52 -5.064 6.801 -18.926 445 HE2 TYR 52 HE2 TYR 52 -3.127 10.093 -16.954 446 HH TYR 52 HH TYR 52 -5.067 9.698 -19.252 447 H TYR 53 H TYR 53 -6.663 6.490 -12.541 448 HA TYR 53 HA TYR 53 -5.348 5.430 -10.187 449 1HB TYR 53 3HB TYR 53 -7.314 7.429 -10.812 450 2HB TYR 53 2HB TYR 53 -7.936 6.381 -9.540 451 HD1 TYR 53 HD1 TYR 53 -5.062 8.522 -10.526 452 HD2 TYR 53 HD2 TYR 53 -7.037 6.437 -7.336 453 HE1 TYR 53 HE1 TYR 53 -3.588 9.642 -8.891 454 HE2 TYR 53 HE2 TYR 53 -5.561 7.554 -5.695 455 HH TYR 53 HH TYR 53 -4.204 9.643 -5.562 456 H GLU 54 H GLU 54 -8.274 4.695 -12.025 457 HA GLU 54 HA GLU 54 -9.309 2.779 -10.173 458 1HB GLU 54 3HB GLU 54 -9.895 3.633 -12.900 459 2HB GLU 54 2HB GLU 54 -10.319 1.960 -12.560 460 1HG GLU 54 2HG GLU 54 -11.119 3.528 -10.319 461 2HG GLU 54 1HG GLU 54 -11.703 4.342 -11.770 462 H GLU 55 H GLU 55 -7.397 2.360 -13.152 463 HA GLU 55 HA GLU 55 -7.228 -0.481 -12.938 464 1HB GLU 55 3HB GLU 55 -5.813 1.628 -14.409 465 2HB GLU 55 2HB GLU 55 -4.896 0.147 -14.167 466 1HG GLU 55 2HG GLU 55 -7.523 -0.628 -14.894 467 2HG GLU 55 1HG GLU 55 -7.051 0.654 -16.010 468 H GLN 56 H GLN 56 -5.867 2.016 -11.082 469 HA GLN 56 HA GLN 56 -3.522 0.524 -10.180 470 1HB GLN 56 3HB GLN 56 -3.041 2.710 -9.842 471 2HB GLN 56 2HB GLN 56 -4.721 3.159 -9.748 472 1HG GLN 56 2HG GLN 56 -3.455 3.535 -7.608 473 2HG GLN 56 1HG GLN 56 -4.835 2.456 -7.420 474 1HE2 GLN 56 1HE2 GLN 56 -1.962 1.284 -9.078 475 2HE2 GLN 56 2HE2 GLN 56 -1.435 0.255 -7.835 476 H ALA 57 H ALA 57 -6.381 1.751 -8.532 477 HA ALA 57 HA ALA 57 -6.275 0.297 -6.183 478 1HB ALA 57 1HB ALA 57 -8.533 1.296 -7.871 479 2HB ALA 57 2HB ALA 57 -8.075 1.754 -6.230 480 3HB ALA 57 3HB ALA 57 -8.911 0.229 -6.520 481 H ARG 58 H ARG 58 -6.977 -0.893 -9.404 482 HA ARG 58 HA ARG 58 -8.172 -3.390 -8.557 483 1HB ARG 58 3HB ARG 58 -7.164 -2.210 -11.083 484 2HB ARG 58 2HB ARG 58 -7.117 -3.972 -10.991 485 1HG ARG 58 2HG ARG 58 -9.586 -3.486 -9.956 486 2HG ARG 58 1HG ARG 58 -9.446 -2.153 -11.103 487 1HD ARG 58 2HD ARG 58 -9.433 -3.537 -12.923 488 2HD ARG 58 1HD ARG 58 -8.576 -4.822 -12.073 489 HE ARG 58 HE ARG 58 -11.507 -4.379 -12.033 490 1HH1 ARG 58 1HH1 ARG 58 -10.025 -5.271 -9.416 491 2HH1 ARG 58 2HH1 ARG 58 -10.319 -6.976 -9.487 492 1HH2 ARG 58 1HH2 ARG 58 -11.320 -6.939 -12.805 493 2HH2 ARG 58 2HH2 ARG 58 -11.051 -7.920 -11.402 494 H LEU 59 H LEU 59 -4.916 -2.371 -9.468 495 HA LEU 59 HA LEU 59 -3.692 -4.958 -9.129 496 1HB LEU 59 3HB LEU 59 -2.114 -2.470 -8.639 497 2HB LEU 59 2HB LEU 59 -1.699 -3.888 -9.595 498 HG LEU 59 HG LEU 59 -3.546 -1.618 -10.348 499 1HD1 LEU 59 1HD1 LEU 59 -1.858 -2.166 -12.449 500 2HD1 LEU 59 2HD1 LEU 59 -0.836 -2.530 -11.057 501 3HD1 LEU 59 3HD1 LEU 59 -1.566 -0.933 -11.223 502 1HD2 LEU 59 1HD2 LEU 59 -3.646 -4.436 -11.110 503 2HD2 LEU 59 2HD2 LEU 59 -3.384 -3.391 -12.506 504 3HD2 LEU 59 3HD2 LEU 59 -4.789 -3.143 -11.469 505 H SER 60 H SER 60 -4.633 -2.455 -6.897 506 HA SER 60 HA SER 60 -2.866 -3.351 -4.751 507 1HB SER 60 3HB SER 60 -4.609 -1.139 -5.214 508 2HB SER 60 2HB SER 60 -5.143 -1.938 -3.739 509 HG SER 60 HG SER 60 -3.540 -0.817 -2.925 510 H LYS 61 H LYS 61 -6.044 -4.101 -5.935 511 HA LYS 61 HA LYS 61 -7.016 -5.443 -3.579 512 1HB LYS 61 3HB LYS 61 -8.394 -4.601 -5.541 513 2HB LYS 61 2HB LYS 61 -7.799 -5.991 -6.449 514 1HG LYS 61 2HG LYS 61 -9.720 -6.930 -5.584 515 2HG LYS 61 1HG LYS 61 -8.622 -7.283 -4.249 516 1HD LYS 61 2HD LYS 61 -9.457 -5.545 -2.926 517 2HD LYS 61 1HD LYS 61 -10.104 -4.669 -4.315 518 1HE LYS 61 2HE LYS 61 -11.618 -6.797 -4.599 519 2HE LYS 61 1HE LYS 61 -11.232 -7.066 -2.899 520 1HZ LYS 61 1HZ LYS 61 -12.031 -4.845 -2.399 521 2HZ LYS 61 2HZ LYS 61 -13.247 -5.761 -3.153 522 3HZ LYS 61 3HZ LYS 61 -12.398 -4.582 -4.033 523 H GLN 62 H GLN 62 -5.527 -6.608 -6.599 524 HA GLN 62 HA GLN 62 -5.364 -9.349 -5.581 525 1HB GLN 62 3HB GLN 62 -3.935 -8.205 -7.990 526 2HB GLN 62 2HB GLN 62 -4.377 -9.888 -7.695 527 1HG GLN 62 2HG GLN 62 -6.803 -9.127 -7.676 528 2HG GLN 62 1HG GLN 62 -6.232 -7.568 -8.273 529 1HE2 GLN 62 1HE2 GLN 62 -5.026 -7.608 -10.397 530 2HE2 GLN 62 2HE2 GLN 62 -5.380 -8.832 -11.519 531 H HIS 63 H HIS 63 -3.574 -6.547 -5.079 532 HA HIS 63 HA HIS 63 -0.983 -7.950 -4.810 533 1HB HIS 63 3HB HIS 63 -1.010 -5.676 -5.768 534 2HB HIS 63 2HB HIS 63 -1.727 -5.061 -4.282 535 HD1 HIS 63 HD1 HIS 63 0.573 -7.663 -3.379 536 HD2 HIS 63 HD2 HIS 63 0.971 -3.631 -4.365 537 HE1 HIS 63 HE1 HIS 63 2.839 -6.935 -2.512 538 H LEU 64 H LEU 64 -2.864 -5.773 -2.713 539 HA LEU 64 HA LEU 64 -1.564 -6.551 -0.318 540 1HB LEU 64 3HB LEU 64 -4.409 -5.553 -0.613 541 2HB LEU 64 2HB LEU 64 -3.398 -5.445 0.825 542 HG LEU 64 HG LEU 64 -2.795 -4.128 -1.835 543 1HD1 LEU 64 1HD1 LEU 64 -3.675 -2.176 -1.001 544 2HD1 LEU 64 2HD1 LEU 64 -3.271 -2.584 0.666 545 3HD1 LEU 64 3HD1 LEU 64 -4.684 -3.308 -0.099 546 1HD2 LEU 64 1HD2 LEU 64 -1.128 -4.830 0.374 547 2HD2 LEU 64 2HD2 LEU 64 -1.332 -3.079 0.394 548 3HD2 LEU 64 3HD2 LEU 64 -0.701 -3.877 -1.046 549 H GLU 65 H GLU 65 -4.572 -7.756 -1.775 550 HA GLU 65 HA GLU 65 -5.312 -9.526 0.274 551 1HB GLU 65 3HB GLU 65 -5.631 -9.759 -2.726 552 2HB GLU 65 2HB GLU 65 -6.384 -10.873 -1.584 553 1HG GLU 65 2HG GLU 65 -6.810 -8.070 -0.866 554 2HG GLU 65 1HG GLU 65 -7.471 -8.476 -2.450 555 H LYS 66 H LYS 66 -2.604 -9.646 -1.841 556 HA LYS 66 HA LYS 66 -2.233 -12.530 -1.697 557 1HB LYS 66 3HB LYS 66 -0.739 -10.224 -2.801 558 2HB LYS 66 2HB LYS 66 0.242 -11.599 -2.300 559 1HG LYS 66 2HG LYS 66 -2.031 -12.624 -3.671 560 2HG LYS 66 1HG LYS 66 -1.358 -11.327 -4.657 561 1HD LYS 66 2HD LYS 66 0.417 -12.588 -5.231 562 2HD LYS 66 1HD LYS 66 0.762 -12.956 -3.540 563 1HE LYS 66 2HE LYS 66 -0.806 -14.790 -3.546 564 2HE LYS 66 1HE LYS 66 -1.392 -14.350 -5.150 565 1HZ LYS 66 1HZ LYS 66 0.416 -16.201 -4.822 566 2HZ LYS 66 2HZ LYS 66 1.469 -14.867 -4.817 567 3HZ LYS 66 3HZ LYS 66 0.465 -15.156 -6.156 568 H TYR 67 H TYR 67 -0.308 -9.847 -0.324 569 HA TYR 67 HA TYR 67 -0.164 -11.268 2.240 570 1HB TYR 67 3HB TYR 67 2.504 -10.885 1.946 571 2HB TYR 67 2HB TYR 67 1.696 -12.417 1.625 572 HD1 TYR 67 HD1 TYR 67 2.102 -9.149 -0.193 573 HD2 TYR 67 HD2 TYR 67 2.368 -13.433 -0.362 574 HE1 TYR 67 HE1 TYR 67 2.785 -9.012 -2.572 575 HE2 TYR 67 HE2 TYR 67 3.052 -13.296 -2.743 576 HH TYR 67 HH TYR 67 4.226 -10.693 -4.169 577 HA PRO 68 HA PRO 68 0.165 -6.751 2.725 578 1HB PRO 68 3HB PRO 68 -1.692 -6.638 4.742 579 2HB PRO 68 2HB PRO 68 -2.119 -6.548 3.025 580 1HG PRO 68 2HG PRO 68 -2.473 -8.816 4.929 581 2HG PRO 68 1HG PRO 68 -3.386 -8.432 3.460 582 1HD PRO 68 2HD PRO 68 -1.367 -10.407 3.694 583 2HD PRO 68 1HD PRO 68 -2.061 -9.794 2.177 584 H ASP 69 H ASP 69 -0.864 -8.089 5.794 585 HA ASP 69 HA ASP 69 1.738 -7.407 6.952 586 1HB ASP 69 3HB ASP 69 -0.839 -8.233 8.308 587 2HB ASP 69 2HB ASP 69 0.614 -7.659 9.129 588 H TYR 70 H TYR 70 0.843 -9.915 5.344 589 HA TYR 70 HA TYR 70 1.198 -12.092 7.199 590 1HB TYR 70 3HB TYR 70 0.286 -11.823 4.565 591 2HB TYR 70 2HB TYR 70 1.745 -12.806 4.448 592 HD1 TYR 70 HD1 TYR 70 -1.662 -13.081 4.727 593 HD2 TYR 70 HD2 TYR 70 1.904 -14.493 6.663 594 HE1 TYR 70 HE1 TYR 70 -2.910 -15.038 5.600 595 HE2 TYR 70 HE2 TYR 70 0.655 -16.450 7.535 596 HH TYR 70 HH TYR 70 -2.271 -16.719 7.964 Start of MODEL 13 1 HA PRO 1 HA PRO 1 0.719 -7.539 6.199 2 1HB PRO 1 3HB PRO 1 3.181 -6.927 4.864 3 2HB PRO 1 2HB PRO 1 2.364 -5.989 6.122 4 1HG PRO 1 2HG PRO 1 4.768 -7.521 6.360 5 2HG PRO 1 1HG PRO 1 3.934 -6.602 7.620 6 1HD PRO 1 2HD PRO 1 4.075 -9.453 7.308 7 2HD PRO 1 1HD PRO 1 3.273 -8.530 8.585 8 H HIS 2 H HIS 2 3.473 -8.727 4.292 9 HA HIS 2 HA HIS 2 3.539 -9.781 2.206 10 1HB HIS 2 3HB HIS 2 0.754 -10.777 2.825 11 2HB HIS 2 2HB HIS 2 1.982 -11.539 1.814 12 HD1 HIS 2 HD1 HIS 2 4.237 -10.756 4.106 13 HD2 HIS 2 HD2 HIS 2 0.840 -13.135 4.532 14 HE1 HIS 2 HE1 HIS 2 4.660 -12.259 6.100 15 H ILE 3 H ILE 3 3.205 -7.325 1.671 16 HA ILE 3 HA ILE 3 0.898 -7.174 -0.219 17 HB ILE 3 HB ILE 3 1.739 -4.632 1.070 18 1HG1 ILE 3 2HG1 ILE 3 0.135 -6.759 2.526 19 2HG1 ILE 3 1HG1 ILE 3 1.691 -6.095 3.026 20 1HG2 ILE 3 1HG2 ILE 3 -0.167 -4.039 0.035 21 2HG2 ILE 3 2HG2 ILE 3 -1.064 -5.111 1.112 22 3HG2 ILE 3 3HG2 ILE 3 -0.456 -5.716 -0.430 23 1HD1 ILE 3 1HD1 ILE 3 0.149 -3.827 2.673 24 2HD1 ILE 3 2HD1 ILE 3 0.484 -4.598 4.223 25 3HD1 ILE 3 3HD1 ILE 3 -1.002 -4.978 3.352 26 H LYS 4 H LYS 4 2.932 -7.904 -1.492 27 HA LYS 4 HA LYS 4 4.957 -5.884 -2.006 28 1HB LYS 4 3HB LYS 4 5.547 -7.489 -3.902 29 2HB LYS 4 2HB LYS 4 5.632 -8.156 -2.275 30 1HG LYS 4 2HG LYS 4 3.980 -9.639 -2.696 31 2HG LYS 4 1HG LYS 4 2.962 -8.402 -3.434 32 1HD LYS 4 2HD LYS 4 4.813 -8.634 -5.374 33 2HD LYS 4 1HD LYS 4 4.907 -10.264 -4.706 34 1HE LYS 4 2HE LYS 4 2.205 -9.084 -5.242 35 2HE LYS 4 1HE LYS 4 3.148 -9.693 -6.602 36 1HZ LYS 4 1HZ LYS 4 1.855 -11.483 -5.816 37 2HZ LYS 4 2HZ LYS 4 2.263 -11.179 -4.195 38 3HZ LYS 4 3HZ LYS 4 3.433 -11.779 -5.271 39 H ARG 5 H ARG 5 2.637 -4.544 -2.427 40 HA ARG 5 HA ARG 5 2.411 -4.449 -5.409 41 1HB ARG 5 3HB ARG 5 0.147 -3.304 -4.854 42 2HB ARG 5 2HB ARG 5 0.267 -5.055 -4.676 43 1HG ARG 5 2HG ARG 5 -0.010 -4.957 -2.429 44 2HG ARG 5 1HG ARG 5 1.084 -3.583 -2.270 45 1HD ARG 5 2HD ARG 5 -1.043 -2.430 -3.551 46 2HD ARG 5 1HD ARG 5 -1.851 -3.620 -2.531 47 HE ARG 5 HE ARG 5 0.020 -2.332 -0.877 48 1HH1 ARG 5 1HH2 ARG 5 -2.094 -0.945 -3.145 49 2HH1 ARG 5 2HH2 ARG 5 -2.851 0.130 -2.016 50 1HH2 ARG 5 1HH1 ARG 5 -1.219 -1.195 0.743 51 2HH2 ARG 5 2HH1 ARG 5 -2.355 -0.012 0.184 52 HA PRO 6 HA PRO 6 3.959 -0.330 -3.823 53 1HB PRO 6 3HB PRO 6 6.406 -0.379 -5.075 54 2HB PRO 6 2HB PRO 6 6.144 -0.979 -3.427 55 1HG PRO 6 2HG PRO 6 6.529 -2.528 -5.953 56 2HG PRO 6 1HG PRO 6 6.925 -2.981 -4.287 57 1HD PRO 6 2HD PRO 6 4.674 -3.882 -5.729 58 2HD PRO 6 1HD PRO 6 4.895 -3.979 -3.969 59 H MET 7 H MET 7 2.174 -0.816 -5.938 60 HA MET 7 HA MET 7 3.332 0.639 -8.231 61 1HB MET 7 3HB MET 7 0.666 -0.472 -8.572 62 2HB MET 7 2HB MET 7 2.075 -0.632 -9.595 63 1HG MET 7 2HG MET 7 2.955 -2.425 -8.233 64 2HG MET 7 1HG MET 7 1.685 -2.193 -7.032 65 1HE MET 7 1HE MET 7 0.835 -4.476 -6.924 66 2HE MET 7 2HE MET 7 -0.596 -4.833 -7.889 67 3HE MET 7 3HE MET 7 -0.492 -3.309 -7.011 68 H ASN 8 H ASN 8 1.201 1.814 -9.310 69 HA ASN 8 HA ASN 8 -0.741 2.897 -7.599 70 1HB ASN 8 3HB ASN 8 0.706 4.005 -6.225 71 2HB ASN 8 2HB ASN 8 1.902 4.164 -7.484 72 1HD2 ASN 8 1HD2 ASN 8 2.228 6.370 -7.864 73 2HD2 ASN 8 2HD2 ASN 8 0.987 7.522 -7.983 74 H ALA 9 H ALA 9 -1.532 5.107 -8.631 75 HA ALA 9 HA ALA 9 -2.128 4.598 -11.346 76 1HB ALA 9 1HB ALA 9 -2.112 7.399 -10.261 77 2HB ALA 9 2HB ALA 9 -3.252 6.221 -9.611 78 3HB ALA 9 3HB ALA 9 -3.288 6.628 -11.327 79 H PHE 10 H PHE 10 0.401 6.469 -9.827 80 HA PHE 10 HA PHE 10 1.354 7.700 -12.205 81 1HB PHE 10 3HB PHE 10 1.932 8.644 -10.148 82 2HB PHE 10 2HB PHE 10 2.540 7.122 -9.529 83 HD1 PHE 10 HD1 PHE 10 3.137 9.364 -12.488 84 HD2 PHE 10 HD2 PHE 10 4.844 6.903 -9.408 85 HE1 PHE 10 HE1 PHE 10 5.415 9.946 -13.278 86 HE2 PHE 10 HE2 PHE 10 7.118 7.482 -10.203 87 HZ PHE 10 HZ PHE 10 7.404 9.005 -12.138 88 H MET 11 H MET 11 2.804 5.041 -10.316 89 HA MET 11 HA MET 11 4.618 4.315 -12.417 90 1HB MET 11 3HB MET 11 3.478 2.569 -10.202 91 2HB MET 11 2HB MET 11 4.907 2.206 -11.169 92 1HG MET 11 2HG MET 11 5.198 4.842 -10.087 93 2HG MET 11 1HG MET 11 4.763 3.746 -8.776 94 1HE MET 11 1HE MET 11 7.443 2.666 -7.493 95 2HE MET 11 2HE MET 11 6.457 4.121 -7.617 96 3HE MET 11 3HE MET 11 8.164 4.183 -8.048 97 H VAL 12 H VAL 12 1.255 3.983 -11.957 98 HA VAL 12 HA VAL 12 0.969 1.637 -13.680 99 HB VAL 12 HB VAL 12 -0.905 3.518 -12.258 100 1HG1 VAL 12 1HG1 VAL 12 -2.171 3.370 -14.182 101 2HG1 VAL 12 2HG1 VAL 12 -2.723 1.937 -13.315 102 3HG1 VAL 12 3HG1 VAL 12 -1.534 1.781 -14.609 103 1HG2 VAL 12 1HG2 VAL 12 -1.166 1.765 -10.845 104 2HG2 VAL 12 2HG2 VAL 12 0.260 1.086 -11.628 105 3HG2 VAL 12 3HG2 VAL 12 -1.350 0.619 -12.174 106 H TRP 13 H TRP 13 0.357 5.097 -13.775 107 HA TRP 13 HA TRP 13 -0.394 4.972 -16.621 108 1HB TRP 13 3HB TRP 13 -1.498 6.739 -15.708 109 2HB TRP 13 2HB TRP 13 -0.311 6.953 -14.438 110 HD1 TRP 13 HD1 TRP 13 -1.518 8.422 -17.554 111 HE1 TRP 13 HE1 TRP 13 0.022 10.335 -18.261 112 HE3 TRP 13 HE3 TRP 13 2.473 7.606 -14.484 113 HZ2 TRP 13 HZ2 TRP 13 2.611 11.381 -17.686 114 HZ3 TRP 13 HZ3 TRP 13 4.462 9.057 -14.596 115 HH2 TRP 13 HH2 TRP 13 4.527 10.951 -16.178 116 H ALA 14 H ALA 14 2.379 5.774 -14.687 117 HA ALA 14 HA ALA 14 3.979 6.851 -16.821 118 1HB ALA 14 1HB ALA 14 5.263 5.670 -14.419 119 2HB ALA 14 2HB ALA 14 4.145 7.006 -14.163 120 3HB ALA 14 3HB ALA 14 5.543 7.223 -15.201 121 H LYS 15 H LYS 15 3.211 3.617 -15.823 122 HA LYS 15 HA LYS 15 5.585 2.337 -16.738 123 1HB LYS 15 3HB LYS 15 4.329 0.278 -16.655 124 2HB LYS 15 2HB LYS 15 3.826 1.263 -15.284 125 1HG LYS 15 2HG LYS 15 1.723 0.836 -16.044 126 2HG LYS 15 1HG LYS 15 2.078 2.111 -17.207 127 1HD LYS 15 2HD LYS 15 1.394 0.361 -18.602 128 2HD LYS 15 1HD LYS 15 3.148 0.175 -18.611 129 1HE LYS 15 2HE LYS 15 2.409 -1.278 -16.381 130 2HE LYS 15 1HE LYS 15 1.089 -1.604 -17.503 131 1HZ LYS 15 1HZ LYS 15 3.572 -2.772 -17.508 132 2HZ LYS 15 2HZ LYS 15 3.610 -1.688 -18.815 133 3HZ LYS 15 3HZ LYS 15 2.402 -2.879 -18.730 134 H ASP 16 H ASP 16 2.663 3.434 -18.324 135 HA ASP 16 HA ASP 16 3.557 2.238 -20.862 136 1HB ASP 16 3HB ASP 16 1.052 2.484 -19.984 137 2HB ASP 16 2HB ASP 16 1.206 4.090 -20.698 138 H GLU 17 H GLU 17 3.326 5.234 -19.154 139 HA GLU 17 HA GLU 17 3.983 6.990 -21.326 140 1HB GLU 17 3HB GLU 17 3.527 7.113 -18.498 141 2HB GLU 17 2HB GLU 17 5.007 7.993 -18.867 142 1HG GLU 17 2HG GLU 17 3.110 8.612 -20.882 143 2HG GLU 17 1HG GLU 17 2.287 8.748 -19.334 144 H ARG 18 H ARG 18 5.789 5.018 -19.063 145 HA ARG 18 HA ARG 18 8.442 5.960 -19.572 146 1HB ARG 18 3HB ARG 18 7.124 3.628 -18.341 147 2HB ARG 18 2HB ARG 18 8.645 3.224 -19.133 148 1HG ARG 18 2HG ARG 18 8.920 5.665 -17.613 149 2HG ARG 18 1HG ARG 18 8.307 4.355 -16.604 150 1HD ARG 18 2HD ARG 18 10.682 4.020 -18.440 151 2HD ARG 18 1HD ARG 18 10.834 4.490 -16.749 152 HE ARG 18 HE ARG 18 9.216 2.122 -16.977 153 1HH1 ARG 18 1HH2 ARG 18 11.564 1.451 -18.725 154 2HH1 ARG 18 2HH2 ARG 18 12.675 0.769 -17.586 155 1HH2 ARG 18 1HH1 ARG 18 11.012 2.024 -14.811 156 2HH2 ARG 18 2HH1 ARG 18 12.360 1.089 -15.367 157 H ARG 19 H ARG 19 6.543 3.288 -20.791 158 HA ARG 19 HA ARG 19 8.347 2.457 -22.809 159 1HB ARG 19 3HB ARG 19 5.588 1.891 -21.946 160 2HB ARG 19 2HB ARG 19 5.858 1.669 -23.666 161 1HG ARG 19 2HG ARG 19 8.104 0.529 -22.451 162 2HG ARG 19 1HG ARG 19 6.754 0.034 -21.434 163 1HD ARG 19 2HD ARG 19 6.446 -0.174 -24.407 164 2HD ARG 19 1HD ARG 19 7.415 -1.389 -23.573 165 HE ARG 19 HE ARG 19 4.599 -0.820 -22.737 166 1HH1 ARG 19 1HH2 ARG 19 7.150 -2.872 -22.197 167 2HH1 ARG 19 2HH2 ARG 19 6.288 -4.342 -22.509 168 1HH2 ARG 19 1HH1 ARG 19 3.480 -2.745 -23.765 169 2HH2 ARG 19 2HH1 ARG 19 4.215 -4.270 -23.395 170 H LYS 20 H LYS 20 5.602 4.628 -22.662 171 HA LYS 20 HA LYS 20 5.563 5.215 -25.464 172 1HB LYS 20 3HB LYS 20 3.722 5.587 -23.650 173 2HB LYS 20 2HB LYS 20 4.551 7.119 -23.375 174 1HG LYS 20 2HG LYS 20 3.284 7.913 -25.073 175 2HG LYS 20 1HG LYS 20 4.374 7.014 -26.129 176 1HD LYS 20 2HD LYS 20 2.709 5.625 -26.728 177 2HD LYS 20 1HD LYS 20 2.416 5.210 -25.037 178 1HE LYS 20 2HE LYS 20 0.382 6.167 -25.970 179 2HE LYS 20 1HE LYS 20 1.065 7.306 -24.810 180 1HZ LYS 20 1HZ LYS 20 1.291 7.406 -27.766 181 2HZ LYS 20 2HZ LYS 20 2.167 8.415 -26.717 182 3HZ LYS 20 3HZ LYS 20 0.471 8.500 -26.764 183 H ILE 21 H ILE 21 7.463 6.329 -22.805 184 HA ILE 21 HA ILE 21 8.399 8.649 -24.377 185 HB ILE 21 HB ILE 21 8.107 8.114 -21.563 186 1HG1 ILE 21 2HG1 ILE 21 8.802 10.659 -21.624 187 2HG1 ILE 21 1HG1 ILE 21 8.618 10.440 -23.365 188 1HG2 ILE 21 1HG2 ILE 21 10.186 8.833 -20.666 189 2HG2 ILE 21 2HG2 ILE 21 10.823 9.216 -22.267 190 3HG2 ILE 21 3HG2 ILE 21 10.564 7.535 -21.799 191 1HD1 ILE 21 1HD1 ILE 21 6.541 11.105 -21.819 192 2HD1 ILE 21 2HD1 ILE 21 6.465 9.356 -21.606 193 3HD1 ILE 21 3HD1 ILE 21 6.349 10.054 -23.222 194 H LEU 22 H LEU 22 9.666 5.734 -22.831 195 HA LEU 22 HA LEU 22 12.372 5.979 -23.462 196 1HB LEU 22 3HB LEU 22 10.927 4.059 -22.377 197 2HB LEU 22 2HB LEU 22 10.990 3.396 -24.010 198 HG LEU 22 HG LEU 22 13.510 3.852 -23.909 199 1HD1 LEU 22 1HD1 LEU 22 12.610 4.420 -21.121 200 2HD1 LEU 22 2HD1 LEU 22 13.906 5.167 -22.056 201 3HD1 LEU 22 3HD1 LEU 22 14.144 3.575 -21.334 202 1HD2 LEU 22 1HD2 LEU 22 12.106 1.806 -22.194 203 2HD2 LEU 22 2HD2 LEU 22 13.827 1.732 -22.578 204 3HD2 LEU 22 3HD2 LEU 22 12.626 1.627 -23.868 205 H GLN 23 H GLN 23 9.651 5.273 -25.505 206 HA GLN 23 HA GLN 23 11.102 4.396 -27.808 207 1HB GLN 23 3HB GLN 23 9.054 4.928 -29.026 208 2HB GLN 23 2HB GLN 23 8.658 4.106 -27.521 209 1HG GLN 23 2HG GLN 23 8.332 6.297 -26.449 210 2HG GLN 23 1HG GLN 23 8.621 7.075 -28.000 211 1HE2 GLN 23 1HE2 GLN 23 6.791 4.042 -27.479 212 2HE2 GLN 23 2HE2 GLN 23 5.312 4.649 -28.049 213 H ALA 24 H ALA 24 10.041 7.357 -26.508 214 HA ALA 24 HA ALA 24 11.156 8.993 -28.665 215 1HB ALA 24 1HB ALA 24 10.457 10.668 -26.540 216 2HB ALA 24 2HB ALA 24 9.273 9.363 -26.486 217 3HB ALA 24 3HB ALA 24 9.468 10.315 -27.957 218 H PHE 25 H PHE 25 12.224 7.538 -25.829 219 HA PHE 25 HA PHE 25 14.757 8.993 -25.932 220 1HB PHE 25 3HB PHE 25 13.150 8.820 -23.363 221 2HB PHE 25 2HB PHE 25 14.743 9.544 -23.557 222 HD1 PHE 25 HD1 PHE 25 15.037 11.651 -24.809 223 HD2 PHE 25 HD2 PHE 25 11.150 9.956 -24.125 224 HE1 PHE 25 HE1 PHE 25 13.987 13.809 -25.434 225 HE2 PHE 25 HE2 PHE 25 10.100 12.114 -24.750 226 HZ PHE 25 HZ PHE 25 11.519 14.041 -25.403 227 HA PRO 26 HA PRO 26 14.818 4.413 -25.149 228 1HB PRO 26 3HB PRO 26 16.546 3.902 -27.223 229 2HB PRO 26 2HB PRO 26 14.784 3.892 -27.371 230 1HG PRO 26 2HG PRO 26 16.730 5.998 -28.241 231 2HG PRO 26 1HG PRO 26 15.183 5.531 -28.972 232 1HD PRO 26 2HD PRO 26 15.524 7.784 -27.365 233 2HD PRO 26 1HD PRO 26 13.974 6.970 -27.626 234 H ASP 27 H ASP 27 16.897 7.022 -24.950 235 HA ASP 27 HA ASP 27 19.171 5.360 -23.993 236 1HB ASP 27 3HB ASP 27 19.030 7.799 -25.442 237 2HB ASP 27 2HB ASP 27 19.744 8.136 -23.870 238 H MET 28 H MET 28 16.827 7.792 -23.174 239 HA MET 28 HA MET 28 17.661 8.298 -20.486 240 1HB MET 28 3HB MET 28 15.771 9.371 -22.113 241 2HB MET 28 2HB MET 28 14.789 8.385 -21.037 242 1HG MET 28 2HG MET 28 15.491 9.524 -19.129 243 2HG MET 28 1HG MET 28 16.934 10.156 -19.919 244 1HE MET 28 1HE MET 28 16.755 11.275 -22.108 245 2HE MET 28 2HE MET 28 15.818 12.752 -22.318 246 3HE MET 28 3HE MET 28 15.165 11.216 -22.875 247 H HIS 29 H HIS 29 18.111 6.354 -19.519 248 HA HIS 29 HA HIS 29 16.254 4.147 -19.665 249 1HB HIS 29 3HB HIS 29 17.859 2.918 -18.509 250 2HB HIS 29 2HB HIS 29 18.821 4.117 -19.370 251 HD1 HIS 29 HD1 HIS 29 19.455 2.672 -16.508 252 HD2 HIS 29 HD2 HIS 29 18.230 6.599 -17.156 253 HE1 HIS 29 HE1 HIS 29 20.211 3.996 -14.488 254 H ASN 30 H ASN 30 15.824 3.055 -17.333 255 HA ASN 30 HA ASN 30 13.656 4.302 -16.180 256 1HB ASN 30 3HB ASN 30 14.435 2.983 -14.021 257 2HB ASN 30 2HB ASN 30 13.911 2.119 -15.465 258 1HD2 ASN 30 1HD2 ASN 30 15.353 0.310 -14.684 259 2HD2 ASN 30 2HD2 ASN 30 17.022 0.400 -14.983 260 H SER 31 H SER 31 16.645 4.155 -14.241 261 HA SER 31 HA SER 31 16.177 5.962 -12.307 262 1HB SER 31 3HB SER 31 18.478 4.919 -13.434 263 2HB SER 31 2HB SER 31 18.717 6.660 -13.461 264 HG SER 31 HG SER 31 19.329 5.544 -11.470 265 H ASN 32 H ASN 32 16.794 6.915 -15.669 266 HA ASN 32 HA ASN 32 16.538 9.750 -14.884 267 1HB ASN 32 3HB ASN 32 17.865 8.403 -16.968 268 2HB ASN 32 2HB ASN 32 16.625 9.410 -17.702 269 1HD2 ASN 32 1HD2 ASN 32 19.768 9.472 -16.387 270 2HD2 ASN 32 2HD2 ASN 32 19.919 11.153 -16.212 271 H ILE 33 H ILE 33 14.843 7.327 -16.852 272 HA ILE 33 HA ILE 33 12.758 8.990 -17.806 273 HB ILE 33 HB ILE 33 12.753 6.063 -17.042 274 1HG1 ILE 33 2HG1 ILE 33 14.131 7.035 -19.004 275 2HG1 ILE 33 1HG1 ILE 33 13.071 5.670 -19.357 276 1HG2 ILE 33 1HG2 ILE 33 10.589 7.789 -18.266 277 2HG2 ILE 33 2HG2 ILE 33 10.460 6.710 -16.877 278 3HG2 ILE 33 3HG2 ILE 33 10.635 6.041 -18.499 279 1HD1 ILE 33 1HD1 ILE 33 12.415 8.597 -19.811 280 2HD1 ILE 33 2HD1 ILE 33 11.320 7.250 -20.120 281 3HD1 ILE 33 3HD1 ILE 33 12.802 7.417 -21.064 282 H SER 34 H SER 34 13.341 7.573 -14.672 283 HA SER 34 HA SER 34 10.810 7.798 -13.458 284 1HB SER 34 3HB SER 34 13.615 7.799 -12.583 285 2HB SER 34 2HB SER 34 12.536 8.674 -11.501 286 HG SER 34 HG SER 34 12.540 5.966 -12.253 287 H LYS 35 H LYS 35 13.360 10.262 -13.823 288 HA LYS 35 HA LYS 35 11.857 12.363 -12.598 289 1HB LYS 35 3HB LYS 35 14.045 12.606 -14.682 290 2HB LYS 35 2HB LYS 35 13.526 13.858 -13.553 291 1HG LYS 35 2HG LYS 35 14.188 12.330 -11.666 292 2HG LYS 35 1HG LYS 35 14.867 11.229 -12.867 293 1HD LYS 35 2HD LYS 35 16.499 12.817 -13.556 294 2HD LYS 35 1HD LYS 35 15.672 14.137 -12.728 295 1HE LYS 35 2HE LYS 35 16.847 13.726 -10.858 296 2HE LYS 35 1HE LYS 35 16.231 12.074 -10.820 297 1HZ LYS 35 1HZ LYS 35 18.565 13.008 -12.401 298 2HZ LYS 35 2HZ LYS 35 17.977 11.415 -12.341 299 3HZ LYS 35 3HZ LYS 35 18.647 12.130 -10.953 300 H ILE 36 H ILE 36 12.005 10.914 -15.724 301 HA ILE 36 HA ILE 36 10.640 13.004 -17.139 302 HB ILE 36 HB ILE 36 11.316 10.174 -17.704 303 1HG1 ILE 36 2HG1 ILE 36 12.308 11.408 -19.756 304 2HG1 ILE 36 1HG1 ILE 36 12.000 12.876 -18.827 305 1HG2 ILE 36 1HG2 ILE 36 9.169 10.217 -18.703 306 2HG2 ILE 36 2HG2 ILE 36 10.264 10.623 -20.023 307 3HG2 ILE 36 3HG2 ILE 36 9.356 11.896 -19.209 308 1HD1 ILE 36 1HD1 ILE 36 13.249 11.652 -16.901 309 2HD1 ILE 36 2HD1 ILE 36 14.206 12.315 -18.224 310 3HD1 ILE 36 3HD1 ILE 36 13.850 10.589 -18.172 311 H LEU 37 H LEU 37 9.652 9.789 -16.060 312 HA LEU 37 HA LEU 37 6.876 9.983 -16.517 313 1HB LEU 37 3HB LEU 37 8.536 8.575 -14.439 314 2HB LEU 37 2HB LEU 37 6.782 8.448 -14.465 315 HG LEU 37 HG LEU 37 8.716 7.639 -16.639 316 1HD1 LEU 37 1HD1 LEU 37 6.969 5.590 -16.113 317 2HD1 LEU 37 2HD1 LEU 37 7.157 6.334 -14.526 318 3HD1 LEU 37 3HD1 LEU 37 8.574 5.756 -15.402 319 1HD2 LEU 37 1HD2 LEU 37 5.832 8.346 -16.739 320 2HD2 LEU 37 2HD2 LEU 37 6.260 6.815 -17.505 321 3HD2 LEU 37 3HD2 LEU 37 7.027 8.312 -18.038 322 H GLY 38 H GLY 38 8.595 10.438 -13.444 323 1HA GLY 38 2HA GLY 38 6.449 11.579 -11.989 324 2HA GLY 38 1HA GLY 38 8.153 11.819 -11.603 325 H SER 39 H SER 39 8.215 12.874 -14.593 326 HA SER 39 HA SER 39 7.519 15.639 -13.818 327 1HB SER 39 3HB SER 39 9.403 14.513 -15.888 328 2HB SER 39 2HB SER 39 8.873 16.190 -15.944 329 HG SER 39 HG SER 39 9.949 16.609 -14.135 330 H ARG 40 H ARG 40 6.682 12.972 -15.750 331 HA ARG 40 HA ARG 40 5.109 14.498 -17.677 332 1HB ARG 40 3HB ARG 40 5.822 11.669 -17.125 333 2HB ARG 40 2HB ARG 40 4.486 12.020 -18.196 334 1HG ARG 40 2HG ARG 40 6.875 13.626 -18.710 335 2HG ARG 40 1HG ARG 40 7.132 11.896 -18.928 336 1HD ARG 40 2HD ARG 40 6.342 13.100 -20.966 337 2HD ARG 40 1HD ARG 40 5.326 11.752 -20.490 338 HE ARG 40 HE ARG 40 3.681 13.370 -19.662 339 1HH1 ARG 40 1HH2 ARG 40 6.482 15.131 -20.090 340 2HH1 ARG 40 2HH2 ARG 40 5.748 16.450 -20.939 341 1HH2 ARG 40 1HH1 ARG 40 2.685 14.871 -21.296 342 2HH2 ARG 40 2HH1 ARG 40 3.604 16.303 -21.621 343 H TRP 41 H TRP 41 4.944 12.614 -14.802 344 HA TRP 41 HA TRP 41 2.133 12.279 -14.529 345 1HB TRP 41 3HB TRP 41 3.946 11.084 -13.274 346 2HB TRP 41 2HB TRP 41 4.224 12.569 -12.374 347 HD1 TRP 41 HD1 TRP 41 2.866 12.747 -10.230 348 HE1 TRP 41 HE1 TRP 41 0.646 11.725 -9.352 349 HE3 TRP 41 HE3 TRP 41 1.456 10.183 -14.338 350 HZ2 TRP 41 HZ2 TRP 41 -1.474 10.004 -10.350 351 HZ3 TRP 41 HZ3 TRP 41 -0.634 8.870 -14.378 352 HH2 TRP 41 HH2 TRP 41 -2.098 8.791 -12.448 353 H LYS 42 H LYS 42 4.345 14.486 -12.827 354 HA LYS 42 HA LYS 42 2.293 16.068 -11.655 355 1HB LYS 42 3HB LYS 42 5.220 16.467 -12.223 356 2HB LYS 42 2HB LYS 42 4.255 17.856 -11.724 357 1HG LYS 42 2HG LYS 42 3.433 15.960 -9.928 358 2HG LYS 42 1HG LYS 42 5.124 15.514 -10.158 359 1HD LYS 42 2HD LYS 42 5.916 17.533 -9.330 360 2HD LYS 42 1HD LYS 42 4.443 18.404 -9.758 361 1HE LYS 42 2HE LYS 42 3.315 17.714 -7.860 362 2HE LYS 42 1HE LYS 42 4.238 16.217 -7.729 363 1HZ LYS 42 1HZ LYS 42 5.844 18.585 -7.457 364 2HZ LYS 42 2HZ LYS 42 5.783 17.197 -6.482 365 3HZ LYS 42 3HZ LYS 42 4.654 18.447 -6.256 366 H ALA 43 H ALA 43 3.692 15.874 -14.781 367 HA ALA 43 HA ALA 43 2.846 18.459 -15.703 368 1HB ALA 43 1HB ALA 43 4.741 17.493 -16.785 369 2HB ALA 43 2HB ALA 43 3.430 17.434 -17.963 370 3HB ALA 43 3HB ALA 43 3.880 15.981 -17.072 371 H MET 44 H MET 44 1.277 15.509 -15.122 372 HA MET 44 HA MET 44 -0.620 15.448 -17.249 373 1HB MET 44 3HB MET 44 -0.735 14.438 -14.389 374 2HB MET 44 2HB MET 44 -1.998 14.123 -15.573 375 1HG MET 44 2HG MET 44 0.400 13.505 -16.886 376 2HG MET 44 1HG MET 44 0.560 12.825 -15.268 377 1HE MET 44 1HE MET 44 -2.366 10.687 -14.675 378 2HE MET 44 2HE MET 44 -3.065 12.276 -14.971 379 3HE MET 44 3HE MET 44 -1.534 12.142 -14.110 380 H THR 45 H THR 45 -2.975 15.572 -15.170 381 HA THR 45 HA THR 45 -3.023 18.486 -14.692 382 HB THR 45 HB THR 45 -5.431 18.257 -15.890 383 HG1 THR 45 HG1 THR 45 -4.756 17.139 -17.936 384 1HG2 THR 45 1HG2 THR 45 -2.726 18.926 -17.060 385 2HG2 THR 45 2HG2 THR 45 -3.923 20.040 -16.399 386 3HG2 THR 45 3HG2 THR 45 -4.230 19.222 -17.932 387 H ASN 46 H ASN 46 -3.445 15.664 -13.368 388 HA ASN 46 HA ASN 46 -4.610 15.033 -11.412 389 1HB ASN 46 3HB ASN 46 -6.342 17.482 -11.643 390 2HB ASN 46 2HB ASN 46 -5.808 16.637 -10.189 391 1HD2 ASN 46 1HD2 ASN 46 -5.392 19.541 -11.449 392 2HD2 ASN 46 2HD2 ASN 46 -3.739 19.812 -11.170 393 H LEU 47 H LEU 47 -6.813 16.767 -13.629 394 HA LEU 47 HA LEU 47 -9.018 14.997 -13.285 395 1HB LEU 47 3HB LEU 47 -9.016 17.285 -14.433 396 2HB LEU 47 2HB LEU 47 -8.364 16.464 -15.853 397 HG LEU 47 HG LEU 47 -10.694 15.114 -14.673 398 1HD1 LEU 47 1HD1 LEU 47 -11.347 17.602 -16.204 399 2HD1 LEU 47 2HD1 LEU 47 -10.992 17.757 -14.483 400 3HD1 LEU 47 3HD1 LEU 47 -12.319 16.727 -15.020 401 1HD2 LEU 47 1HD2 LEU 47 -10.266 16.178 -17.473 402 2HD2 LEU 47 2HD2 LEU 47 -11.274 14.821 -16.972 403 3HD2 LEU 47 3HD2 LEU 47 -9.516 14.687 -16.905 404 H GLU 48 H GLU 48 -6.168 14.855 -15.338 405 HA GLU 48 HA GLU 48 -7.130 12.475 -16.777 406 1HB GLU 48 3HB GLU 48 -5.024 14.421 -17.100 407 2HB GLU 48 2HB GLU 48 -4.336 12.797 -17.129 408 1HG GLU 48 2HG GLU 48 -6.468 12.354 -18.696 409 2HG GLU 48 1HG GLU 48 -6.258 14.077 -19.015 410 H LYS 49 H LYS 49 -5.681 13.144 -13.793 411 HA LYS 49 HA LYS 49 -4.080 10.691 -13.619 412 1HB LYS 49 3HB LYS 49 -3.244 12.588 -12.433 413 2HB LYS 49 2HB LYS 49 -4.803 12.884 -11.666 414 1HG LYS 49 2HG LYS 49 -3.878 10.188 -11.114 415 2HG LYS 49 1HG LYS 49 -2.678 11.383 -10.621 416 1HD LYS 49 2HD LYS 49 -5.085 12.505 -9.796 417 2HD LYS 49 1HD LYS 49 -5.284 10.787 -9.444 418 1HE LYS 49 2HE LYS 49 -4.167 11.342 -7.524 419 2HE LYS 49 1HE LYS 49 -2.751 11.148 -8.556 420 1HZ LYS 49 1HZ LYS 49 -4.022 13.598 -7.585 421 2HZ LYS 49 2HZ LYS 49 -3.287 13.637 -9.116 422 3HZ LYS 49 3HZ LYS 49 -2.375 13.223 -7.744 423 H GLN 50 H GLN 50 -7.324 11.669 -12.818 424 HA GLN 50 HA GLN 50 -7.880 9.781 -10.791 425 1HB GLN 50 3HB GLN 50 -10.310 10.017 -11.677 426 2HB GLN 50 2HB GLN 50 -9.513 11.401 -10.948 427 1HG GLN 50 2HG GLN 50 -10.123 12.495 -12.833 428 2HG GLN 50 1HG GLN 50 -8.792 11.640 -13.591 429 1HE2 GLN 50 1HE2 GLN 50 -11.948 12.325 -14.140 430 2HE2 GLN 50 2HE2 GLN 50 -12.420 10.928 -14.980 431 HA PRO 51 HA PRO 51 -9.383 6.774 -14.224 432 1HB PRO 51 3HB PRO 51 -7.944 6.793 -16.552 433 2HB PRO 51 2HB PRO 51 -9.455 7.669 -16.296 434 1HG PRO 51 2HG PRO 51 -6.666 8.729 -16.358 435 2HG PRO 51 1HG PRO 51 -8.178 9.523 -16.828 436 1HD PRO 51 2HD PRO 51 -6.827 9.960 -14.430 437 2HD PRO 51 1HD PRO 51 -8.529 10.345 -14.719 438 H TYR 52 H TYR 52 -5.865 7.471 -14.485 439 HA TYR 52 HA TYR 52 -5.145 4.677 -14.571 440 1HB TYR 52 3HB TYR 52 -3.316 6.757 -13.423 441 2HB TYR 52 2HB TYR 52 -2.931 5.395 -14.480 442 HD1 TYR 52 HD1 TYR 52 -2.948 8.781 -14.474 443 HD2 TYR 52 HD2 TYR 52 -4.633 5.532 -16.707 444 HE1 TYR 52 HE1 TYR 52 -3.177 10.254 -16.438 445 HE2 TYR 52 HE2 TYR 52 -4.863 7.001 -18.678 446 HH TYR 52 HH TYR 52 -5.093 9.621 -19.010 447 H TYR 53 H TYR 53 -6.467 6.571 -12.153 448 HA TYR 53 HA TYR 53 -5.003 5.446 -9.920 449 1HB TYR 53 3HB TYR 53 -7.113 7.389 -10.345 450 2HB TYR 53 2HB TYR 53 -7.478 6.337 -8.982 451 HD1 TYR 53 HD1 TYR 53 -6.585 6.912 -6.892 452 HD2 TYR 53 HD2 TYR 53 -4.557 8.162 -10.468 453 HE1 TYR 53 HE1 TYR 53 -4.908 8.121 -5.523 454 HE2 TYR 53 HE2 TYR 53 -2.885 9.371 -9.101 455 HH TYR 53 HH TYR 53 -2.774 9.044 -5.619 456 H GLU 54 H GLU 54 -8.081 4.724 -11.535 457 HA GLU 54 HA GLU 54 -8.852 2.665 -9.693 458 1HB GLU 54 3HB GLU 54 -9.732 3.616 -12.316 459 2HB GLU 54 2HB GLU 54 -10.054 1.914 -12.010 460 1HG GLU 54 2HG GLU 54 -10.697 3.409 -9.651 461 2HG GLU 54 1HG GLU 54 -11.487 4.170 -11.033 462 H GLU 55 H GLU 55 -6.974 2.671 -12.672 463 HA GLU 55 HA GLU 55 -6.743 -0.123 -13.035 464 1HB GLU 55 3HB GLU 55 -5.334 2.255 -13.925 465 2HB GLU 55 2HB GLU 55 -4.291 0.844 -13.805 466 1HG GLU 55 2HG GLU 55 -6.758 0.015 -14.972 467 2HG GLU 55 1HG GLU 55 -6.213 1.455 -15.831 468 H GLN 56 H GLN 56 -5.425 1.920 -10.589 469 HA GLN 56 HA GLN 56 -3.227 0.111 -9.911 470 1HB GLN 56 3HB GLN 56 -2.581 1.740 -8.453 471 2HB GLN 56 2HB GLN 56 -3.637 2.744 -9.419 472 1HG GLN 56 2HG GLN 56 -5.411 2.527 -7.801 473 2HG GLN 56 1HG GLN 56 -4.531 1.290 -6.914 474 1HE2 GLN 56 1HE2 GLN 56 -3.978 2.284 -4.956 475 2HE2 GLN 56 2HE2 GLN 56 -3.205 3.791 -4.830 476 H ALA 57 H ALA 57 -6.265 1.054 -8.419 477 HA ALA 57 HA ALA 57 -6.318 -0.785 -6.303 478 1HB ALA 57 1HB ALA 57 -8.854 -0.216 -7.785 479 2HB ALA 57 2HB ALA 57 -7.996 1.136 -7.044 480 3HB ALA 57 3HB ALA 57 -8.551 -0.210 -6.048 481 H ARG 58 H ARG 58 -6.779 -1.279 -9.717 482 HA ARG 58 HA ARG 58 -8.145 -3.821 -9.524 483 1HB ARG 58 3HB ARG 58 -6.917 -2.168 -11.631 484 2HB ARG 58 2HB ARG 58 -6.782 -3.904 -11.916 485 1HG ARG 58 2HG ARG 58 -9.422 -2.849 -11.000 486 2HG ARG 58 1HG ARG 58 -8.947 -2.543 -12.672 487 1HD ARG 58 2HD ARG 58 -8.304 -5.116 -12.598 488 2HD ARG 58 1HD ARG 58 -9.502 -5.142 -11.303 489 HE ARG 58 HE ARG 58 -10.384 -3.821 -13.777 490 1HH1 ARG 58 1HH1 ARG 58 -11.615 -5.602 -11.385 491 2HH1 ARG 58 2HH1 ARG 58 -12.332 -6.845 -12.354 492 1HH2 ARG 58 1HH2 ARG 58 -10.696 -5.888 -15.258 493 2HH2 ARG 58 2HH2 ARG 58 -11.810 -7.007 -14.549 494 H LEU 59 H LEU 59 -4.781 -2.852 -10.016 495 HA LEU 59 HA LEU 59 -3.614 -5.423 -10.150 496 1HB LEU 59 3HB LEU 59 -2.206 -3.229 -8.663 497 2HB LEU 59 2HB LEU 59 -1.564 -4.362 -9.847 498 HG LEU 59 HG LEU 59 -3.288 -1.928 -10.368 499 1HD1 LEU 59 1HD1 LEU 59 -0.541 -2.829 -11.297 500 2HD1 LEU 59 2HD1 LEU 59 -0.892 -1.501 -10.192 501 3HD1 LEU 59 3HD1 LEU 59 -1.372 -1.389 -11.885 502 1HD2 LEU 59 1HD2 LEU 59 -4.200 -3.635 -11.792 503 2HD2 LEU 59 2HD2 LEU 59 -2.599 -4.278 -12.159 504 3HD2 LEU 59 3HD2 LEU 59 -3.088 -2.708 -12.798 505 H SER 60 H SER 60 -4.882 -3.633 -7.442 506 HA SER 60 HA SER 60 -3.613 -5.327 -5.422 507 1HB SER 60 3HB SER 60 -5.249 -2.928 -5.462 508 2HB SER 60 2HB SER 60 -5.872 -4.088 -4.292 509 HG SER 60 HG SER 60 -3.114 -3.688 -4.405 510 H LYS 61 H LYS 61 -6.546 -5.250 -7.285 511 HA LYS 61 HA LYS 61 -8.098 -7.083 -5.728 512 1HB LYS 61 3HB LYS 61 -8.538 -5.550 -7.949 513 2HB LYS 61 2HB LYS 61 -8.444 -7.164 -8.656 514 1HG LYS 61 2HG LYS 61 -10.510 -7.640 -7.897 515 2HG LYS 61 1HG LYS 61 -9.993 -7.309 -6.244 516 1HD LYS 61 2HD LYS 61 -11.632 -5.691 -6.476 517 2HD LYS 61 1HD LYS 61 -10.228 -4.785 -7.038 518 1HE LYS 61 2HE LYS 61 -12.078 -4.511 -8.621 519 2HE LYS 61 1HE LYS 61 -10.774 -5.427 -9.375 520 1HZ LYS 61 1HZ LYS 61 -13.118 -6.319 -9.637 521 2HZ LYS 61 2HZ LYS 61 -13.025 -6.764 -8.001 522 3HZ LYS 61 3HZ LYS 61 -11.933 -7.421 -9.126 523 H GLN 62 H GLN 62 -5.916 -7.554 -8.507 524 HA GLN 62 HA GLN 62 -6.245 -10.424 -8.557 525 1HB GLN 62 3HB GLN 62 -4.487 -10.440 -10.157 526 2HB GLN 62 2HB GLN 62 -5.309 -8.903 -10.421 527 1HG GLN 62 2HG GLN 62 -3.180 -8.073 -10.283 528 2HG GLN 62 1HG GLN 62 -3.506 -8.140 -8.550 529 1HE2 GLN 62 1HE2 GLN 62 -1.990 -9.982 -11.224 530 2HE2 GLN 62 2HE2 GLN 62 -0.965 -10.894 -10.224 531 H HIS 63 H HIS 63 -4.267 -8.212 -6.735 532 HA HIS 63 HA HIS 63 -2.466 -10.306 -5.738 533 1HB HIS 63 3HB HIS 63 -1.637 -8.005 -6.015 534 2HB HIS 63 2HB HIS 63 -2.854 -7.422 -4.885 535 HD1 HIS 63 HD1 HIS 63 -1.646 -10.645 -3.779 536 HD2 HIS 63 HD2 HIS 63 -0.322 -6.711 -3.398 537 HE1 HIS 63 HE1 HIS 63 0.016 -10.630 -1.870 538 H LEU 64 H LEU 64 -4.593 -8.001 -4.055 539 HA LEU 64 HA LEU 64 -4.754 -9.278 -1.600 540 1HB LEU 64 3HB LEU 64 -6.734 -7.640 -3.160 541 2HB LEU 64 2HB LEU 64 -7.184 -8.322 -1.601 542 HG LEU 64 HG LEU 64 -4.566 -7.119 -1.426 543 1HD1 LEU 64 1HD1 LEU 64 -6.811 -5.410 -2.529 544 2HD1 LEU 64 2HD1 LEU 64 -5.202 -5.638 -3.213 545 3HD1 LEU 64 3HD1 LEU 64 -5.401 -4.739 -1.709 546 1HD2 LEU 64 1HD2 LEU 64 -5.674 -7.316 0.599 547 2HD2 LEU 64 2HD2 LEU 64 -7.244 -6.926 -0.105 548 3HD2 LEU 64 3HD2 LEU 64 -6.072 -5.644 0.205 549 H GLU 65 H GLU 65 -6.598 -10.034 -4.530 550 HA GLU 65 HA GLU 65 -8.391 -11.909 -3.445 551 1HB GLU 65 3HB GLU 65 -7.157 -11.479 -6.128 552 2HB GLU 65 2HB GLU 65 -7.958 -13.025 -5.839 553 1HG GLU 65 2HG GLU 65 -9.794 -11.318 -4.786 554 2HG GLU 65 1HG GLU 65 -9.117 -10.314 -6.069 555 H LYS 66 H LYS 66 -4.975 -12.061 -3.799 556 HA LYS 66 HA LYS 66 -4.819 -14.980 -3.769 557 1HB LYS 66 3HB LYS 66 -2.799 -12.748 -3.553 558 2HB LYS 66 2HB LYS 66 -2.345 -14.431 -3.308 559 1HG LYS 66 2HG LYS 66 -3.971 -13.905 -5.722 560 2HG LYS 66 1HG LYS 66 -2.346 -13.220 -5.742 561 1HD LYS 66 2HD LYS 66 -1.883 -15.734 -4.733 562 2HD LYS 66 1HD LYS 66 -3.195 -16.036 -5.873 563 1HE LYS 66 2HE LYS 66 -1.411 -14.246 -7.156 564 2HE LYS 66 1HE LYS 66 -0.419 -15.511 -6.429 565 1HZ LYS 66 1HZ LYS 66 -1.176 -16.092 -8.665 566 2HZ LYS 66 2HZ LYS 66 -2.792 -15.981 -8.151 567 3HZ LYS 66 3HZ LYS 66 -1.770 -17.174 -7.500 568 H TYR 67 H TYR 67 -4.002 -12.378 -1.469 569 HA TYR 67 HA TYR 67 -4.881 -14.084 0.757 570 1HB TYR 67 3HB TYR 67 -2.320 -13.071 1.546 571 2HB TYR 67 2HB TYR 67 -2.864 -14.745 1.485 572 HD1 TYR 67 HD1 TYR 67 -1.830 -16.223 -0.005 573 HD2 TYR 67 HD2 TYR 67 -1.671 -11.999 -0.775 574 HE1 TYR 67 HE1 TYR 67 -0.342 -16.632 -1.946 575 HE2 TYR 67 HE2 TYR 67 -0.182 -12.409 -2.716 576 HH TYR 67 HH TYR 67 1.079 -13.942 -3.773 577 HA PRO 68 HA PRO 68 -5.752 -9.731 1.610 578 1HB PRO 68 3HB PRO 68 -8.066 -10.268 2.980 579 2HB PRO 68 2HB PRO 68 -7.990 -10.128 1.222 580 1HG PRO 68 2HG PRO 68 -8.252 -12.586 2.890 581 2HG PRO 68 1HG PRO 68 -8.796 -12.294 1.230 582 1HD PRO 68 2HD PRO 68 -6.478 -13.732 1.980 583 2HD PRO 68 1HD PRO 68 -6.854 -13.139 0.349 584 H ASP 69 H ASP 69 -7.324 -11.313 4.281 585 HA ASP 69 HA ASP 69 -5.283 -10.287 6.095 586 1HB ASP 69 3HB ASP 69 -8.094 -11.288 6.500 587 2HB ASP 69 2HB ASP 69 -7.018 -10.916 7.847 588 H TYR 70 H TYR 70 -6.974 -12.780 7.449 589 HA TYR 70 HA TYR 70 -4.650 -14.479 7.565 590 1HB TYR 70 3HB TYR 70 -7.458 -15.100 8.471 591 2HB TYR 70 2HB TYR 70 -5.959 -15.820 9.058 592 HD1 TYR 70 HD1 TYR 70 -4.146 -13.757 9.630 593 HD2 TYR 70 HD2 TYR 70 -8.422 -13.662 10.017 594 HE1 TYR 70 HE1 TYR 70 -3.952 -11.965 11.332 595 HE2 TYR 70 HE2 TYR 70 -8.228 -11.868 11.720 596 HH TYR 70 HH TYR 70 -5.345 -11.097 13.253 Start of MODEL 14 1 HA PRO 1 HA PRO 1 8.926 -13.331 -9.863 2 1HB PRO 1 3HB PRO 1 9.580 -10.759 -8.777 3 2HB PRO 1 2HB PRO 1 9.617 -12.329 -7.959 4 1HG PRO 1 2HG PRO 1 11.841 -10.731 -8.791 5 2HG PRO 1 1HG PRO 1 11.872 -12.309 -7.991 6 1HD PRO 1 2HD PRO 1 12.500 -11.704 -10.723 7 2HD PRO 1 1HD PRO 1 12.548 -13.273 -9.913 8 H HIS 2 H HIS 2 10.185 -10.248 -11.184 9 HA HIS 2 HA HIS 2 8.987 -8.455 -12.146 10 1HB HIS 2 3HB HIS 2 7.451 -9.554 -14.066 11 2HB HIS 2 2HB HIS 2 9.202 -9.431 -14.208 12 HD1 HIS 2 HD1 HIS 2 10.585 -11.607 -13.936 13 HD2 HIS 2 HD2 HIS 2 6.473 -12.192 -13.559 14 HE1 HIS 2 HE1 HIS 2 10.208 -14.110 -14.011 15 H ILE 3 H ILE 3 7.721 -8.201 -10.060 16 HA ILE 3 HA ILE 3 4.859 -8.951 -10.441 17 HB ILE 3 HB ILE 3 4.764 -8.344 -7.934 18 1HG1 ILE 3 2HG1 ILE 3 7.738 -8.695 -8.334 19 2HG1 ILE 3 1HG1 ILE 3 6.926 -7.231 -7.784 20 1HG2 ILE 3 1HG2 ILE 3 5.519 -10.606 -7.304 21 2HG2 ILE 3 2HG2 ILE 3 6.358 -10.754 -8.848 22 3HG2 ILE 3 3HG2 ILE 3 4.598 -10.645 -8.807 23 1HD1 ILE 3 1HD1 ILE 3 6.266 -8.252 -5.730 24 2HD1 ILE 3 2HD1 ILE 3 7.959 -8.690 -5.955 25 3HD1 ILE 3 3HD1 ILE 3 6.690 -9.862 -6.311 26 H LYS 4 H LYS 4 3.981 -7.240 -11.491 27 HA LYS 4 HA LYS 4 4.851 -4.512 -11.167 28 1HB LYS 4 3HB LYS 4 3.014 -5.952 -12.823 29 2HB LYS 4 2HB LYS 4 2.166 -4.574 -12.120 30 1HG LYS 4 2HG LYS 4 3.421 -3.054 -13.261 31 2HG LYS 4 1HG LYS 4 4.901 -3.998 -13.085 32 1HD LYS 4 2HD LYS 4 3.641 -5.645 -14.745 33 2HD LYS 4 1HD LYS 4 2.785 -4.169 -15.192 34 1HE LYS 4 2HE LYS 4 5.682 -4.855 -15.516 35 2HE LYS 4 1HE LYS 4 4.591 -4.050 -16.642 36 1HZ LYS 4 1HZ LYS 4 6.003 -2.382 -15.848 37 2HZ LYS 4 2HZ LYS 4 5.902 -2.924 -14.241 38 3HZ LYS 4 3HZ LYS 4 4.566 -2.170 -14.971 39 H ARG 5 H ARG 5 4.752 -4.209 -8.836 40 HA ARG 5 HA ARG 5 2.277 -4.486 -7.381 41 1HB ARG 5 3HB ARG 5 4.971 -3.361 -6.870 42 2HB ARG 5 2HB ARG 5 3.660 -2.657 -5.922 43 1HG ARG 5 2HG ARG 5 3.005 -4.832 -5.089 44 2HG ARG 5 1HG ARG 5 4.145 -5.638 -6.167 45 1HD ARG 5 2HD ARG 5 5.198 -5.558 -4.015 46 2HD ARG 5 1HD ARG 5 5.990 -4.329 -5.001 47 HE ARG 5 HE ARG 5 4.880 -2.627 -3.711 48 1HH1 ARG 5 1HH2 ARG 5 5.462 -5.229 -1.880 49 2HH1 ARG 5 2HH2 ARG 5 4.121 -5.061 -0.797 50 1HH2 ARG 5 1HH1 ARG 5 2.523 -2.665 -2.727 51 2HH2 ARG 5 2HH1 ARG 5 2.457 -3.610 -1.277 52 HA PRO 6 HA PRO 6 0.493 -0.768 -9.111 53 1HB PRO 6 3HB PRO 6 -1.916 -1.029 -7.804 54 2HB PRO 6 2HB PRO 6 -1.499 -1.920 -9.279 55 1HG PRO 6 2HG PRO 6 -1.618 -2.897 -6.462 56 2HG PRO 6 1HG PRO 6 -1.846 -3.795 -7.974 57 1HD PRO 6 2HD PRO 6 0.495 -3.813 -6.395 58 2HD PRO 6 1HD PRO 6 0.370 -4.375 -8.070 59 H MET 7 H MET 7 1.971 0.574 -7.882 60 HA MET 7 HA MET 7 1.411 1.222 -5.112 61 1HB MET 7 3HB MET 7 3.317 2.189 -7.178 62 2HB MET 7 2HB MET 7 3.164 3.017 -5.638 63 1HG MET 7 2HG MET 7 3.504 0.039 -5.687 64 2HG MET 7 1HG MET 7 4.910 1.067 -5.921 65 1HE MET 7 1HE MET 7 2.096 0.051 -2.991 66 2HE MET 7 2HE MET 7 3.592 -0.617 -2.342 67 3HE MET 7 3HE MET 7 3.158 -0.917 -4.023 68 H ASN 8 H ASN 8 0.769 2.538 -8.282 69 HA ASN 8 HA ASN 8 -1.364 4.191 -7.354 70 1HB ASN 8 3HB ASN 8 0.628 5.346 -6.420 71 2HB ASN 8 2HB ASN 8 1.134 5.647 -8.064 72 1HD2 ASN 8 1HD2 ASN 8 0.850 8.009 -7.775 73 2HD2 ASN 8 2HD2 ASN 8 -0.704 8.688 -7.710 74 H ALA 9 H ALA 9 -1.985 5.799 -9.080 75 HA ALA 9 HA ALA 9 -2.157 4.489 -11.634 76 1HB ALA 9 1HB ALA 9 -3.922 5.993 -10.995 77 2HB ALA 9 2HB ALA 9 -3.092 6.740 -12.355 78 3HB ALA 9 3HB ALA 9 -2.781 7.304 -10.715 79 H PHE 10 H PHE 10 0.116 6.603 -10.177 80 HA PHE 10 HA PHE 10 1.229 7.775 -12.529 81 1HB PHE 10 3HB PHE 10 1.688 8.849 -10.538 82 2HB PHE 10 2HB PHE 10 2.115 7.362 -9.714 83 HD1 PHE 10 HD1 PHE 10 3.215 9.353 -12.698 84 HD2 PHE 10 HD2 PHE 10 4.374 6.971 -9.321 85 HE1 PHE 10 HE1 PHE 10 5.599 9.738 -13.240 86 HE2 PHE 10 HE2 PHE 10 6.763 7.356 -9.867 87 HZ PHE 10 HZ PHE 10 7.376 8.741 -11.830 88 H MET 11 H MET 11 2.644 5.240 -10.435 89 HA MET 11 HA MET 11 4.605 4.486 -12.369 90 1HB MET 11 3HB MET 11 3.320 2.698 -10.273 91 2HB MET 11 2HB MET 11 4.892 2.460 -11.039 92 1HG MET 11 2HG MET 11 4.907 5.085 -9.973 93 2HG MET 11 1HG MET 11 4.244 4.037 -8.718 94 1HE MET 11 1HE MET 11 5.196 3.012 -7.299 95 2HE MET 11 2HE MET 11 6.633 3.959 -6.929 96 3HE MET 11 3HE MET 11 6.779 2.227 -7.217 97 H VAL 12 H VAL 12 1.223 4.078 -12.152 98 HA VAL 12 HA VAL 12 1.103 1.715 -13.857 99 HB VAL 12 HB VAL 12 -0.908 3.624 -12.672 100 1HG1 VAL 12 1HG1 VAL 12 -2.636 2.030 -13.742 101 2HG1 VAL 12 2HG1 VAL 12 -1.341 1.603 -14.860 102 3HG1 VAL 12 3HG1 VAL 12 -1.910 3.268 -14.766 103 1HG2 VAL 12 1HG2 VAL 12 -1.441 0.819 -12.328 104 2HG2 VAL 12 2HG2 VAL 12 -1.060 2.025 -11.101 105 3HG2 VAL 12 3HG2 VAL 12 0.239 1.149 -11.910 106 H TRP 13 H TRP 13 0.368 5.153 -14.059 107 HA TRP 13 HA TRP 13 -0.174 4.964 -16.940 108 1HB TRP 13 3HB TRP 13 -1.387 6.715 -16.158 109 2HB TRP 13 2HB TRP 13 -0.332 6.948 -14.778 110 HD1 TRP 13 HD1 TRP 13 -1.300 8.430 -17.937 111 HE1 TRP 13 HE1 TRP 13 0.242 10.381 -18.510 112 HE3 TRP 13 HE3 TRP 13 2.488 7.659 -14.603 113 HZ2 TRP 13 HZ2 TRP 13 2.760 11.475 -17.752 114 HZ3 TRP 13 HZ3 TRP 13 4.450 9.155 -14.563 115 HH2 TRP 13 HH2 TRP 13 4.590 11.072 -16.126 116 H ALA 14 H ALA 14 2.457 5.821 -14.856 117 HA ALA 14 HA ALA 14 4.155 6.991 -16.864 118 1HB ALA 14 1HB ALA 14 5.168 5.713 -14.354 119 2HB ALA 14 2HB ALA 14 4.196 7.178 -14.261 120 3HB ALA 14 3HB ALA 14 5.711 7.184 -15.154 121 H LYS 15 H LYS 15 3.512 3.717 -15.813 122 HA LYS 15 HA LYS 15 5.918 2.552 -16.807 123 1HB LYS 15 3HB LYS 15 4.789 0.431 -16.598 124 2HB LYS 15 2HB LYS 15 4.255 1.431 -15.245 125 1HG LYS 15 2HG LYS 15 2.163 0.877 -15.946 126 2HG LYS 15 1HG LYS 15 2.433 2.115 -17.171 127 1HD LYS 15 2HD LYS 15 2.355 0.567 -18.797 128 2HD LYS 15 1HD LYS 15 3.671 -0.327 -18.034 129 1HE LYS 15 2HE LYS 15 0.819 -0.526 -17.055 130 2HE LYS 15 1HE LYS 15 1.453 -1.585 -18.315 131 1HZ LYS 15 1HZ LYS 15 2.103 -1.479 -15.473 132 2HZ LYS 15 2HZ LYS 15 3.376 -1.835 -16.539 133 3HZ LYS 15 3HZ LYS 15 1.989 -2.816 -16.510 134 H ASP 16 H ASP 16 2.923 3.555 -18.238 135 HA ASP 16 HA ASP 16 3.687 2.329 -20.808 136 1HB ASP 16 3HB ASP 16 1.221 2.620 -19.669 137 2HB ASP 16 2HB ASP 16 1.286 4.060 -20.688 138 H GLU 17 H GLU 17 3.436 5.321 -19.104 139 HA GLU 17 HA GLU 17 3.830 7.090 -21.336 140 1HB GLU 17 3HB GLU 17 3.478 7.237 -18.502 141 2HB GLU 17 2HB GLU 17 4.889 8.192 -18.934 142 1HG GLU 17 2HG GLU 17 2.835 8.624 -20.877 143 2HG GLU 17 1HG GLU 17 2.151 8.836 -19.271 144 H ARG 18 H ARG 18 5.935 5.359 -19.095 145 HA ARG 18 HA ARG 18 8.356 6.632 -20.138 146 1HB ARG 18 3HB ARG 18 9.588 5.177 -18.687 147 2HB ARG 18 2HB ARG 18 8.161 5.676 -17.793 148 1HG ARG 18 2HG ARG 18 7.554 3.532 -17.519 149 2HG ARG 18 1HG ARG 18 7.530 3.293 -19.260 150 1HD ARG 18 2HD ARG 18 10.253 3.405 -18.549 151 2HD ARG 18 1HD ARG 18 9.483 2.382 -17.338 152 HE ARG 18 HE ARG 18 8.514 1.523 -19.842 153 1HH1 ARG 18 1HH1 ARG 18 11.666 2.188 -18.692 154 2HH1 ARG 18 2HH1 ARG 18 12.341 0.689 -19.238 155 1HH2 ARG 18 1HH2 ARG 18 9.307 -0.591 -20.322 156 2HH2 ARG 18 2HH2 ARG 18 11.006 -0.883 -20.160 157 H ARG 19 H ARG 19 6.455 3.762 -20.681 158 HA ARG 19 HA ARG 19 8.320 2.517 -22.488 159 1HB ARG 19 3HB ARG 19 6.764 0.853 -22.491 160 2HB ARG 19 2HB ARG 19 5.987 1.756 -21.217 161 1HG ARG 19 2HG ARG 19 4.233 2.342 -22.536 162 2HG ARG 19 1HG ARG 19 5.249 2.656 -23.926 163 1HD ARG 19 2HD ARG 19 4.207 -0.004 -22.968 164 2HD ARG 19 1HD ARG 19 3.937 0.768 -24.530 165 HE ARG 19 HE ARG 19 6.350 0.334 -25.029 166 1HH1 ARG 19 1HH1 ARG 19 5.591 -0.750 -21.922 167 2HH1 ARG 19 2HH1 ARG 19 6.377 -2.286 -22.085 168 1HH2 ARG 19 1HH2 ARG 19 7.041 -1.885 -25.464 169 2HH2 ARG 19 2HH2 ARG 19 7.197 -2.928 -24.090 170 H LYS 20 H LYS 20 5.601 4.718 -22.656 171 HA LYS 20 HA LYS 20 5.583 4.981 -25.504 172 1HB LYS 20 3HB LYS 20 3.561 5.565 -24.498 173 2HB LYS 20 2HB LYS 20 4.357 6.437 -23.192 174 1HG LYS 20 2HG LYS 20 5.123 8.091 -25.048 175 2HG LYS 20 1HG LYS 20 3.860 7.338 -26.026 176 1HD LYS 20 2HD LYS 20 2.210 7.832 -24.258 177 2HD LYS 20 1HD LYS 20 3.475 8.604 -23.302 178 1HE LYS 20 2HE LYS 20 2.231 9.525 -25.880 179 2HE LYS 20 1HE LYS 20 2.509 10.435 -24.396 180 1HZ LYS 20 1HZ LYS 20 4.103 11.131 -25.996 181 2HZ LYS 20 2HZ LYS 20 4.546 9.531 -26.354 182 3HZ LYS 20 3HZ LYS 20 4.925 10.202 -24.840 183 H ILE 21 H ILE 21 7.484 6.357 -22.968 184 HA ILE 21 HA ILE 21 8.456 8.469 -24.797 185 HB ILE 21 HB ILE 21 8.143 8.258 -21.933 186 1HG1 ILE 21 2HG1 ILE 21 9.095 10.802 -22.612 187 2HG1 ILE 21 1HG1 ILE 21 8.252 10.236 -24.055 188 1HG2 ILE 21 1HG2 ILE 21 10.599 7.686 -22.069 189 2HG2 ILE 21 2HG2 ILE 21 10.235 9.153 -21.163 190 3HG2 ILE 21 3HG2 ILE 21 10.857 9.265 -22.809 191 1HD1 ILE 21 1HD1 ILE 21 6.270 10.609 -23.066 192 2HD1 ILE 21 2HD1 ILE 21 7.107 11.218 -21.639 193 3HD1 ILE 21 3HD1 ILE 21 6.701 9.506 -21.759 194 H LEU 22 H LEU 22 9.627 5.686 -22.979 195 HA LEU 22 HA LEU 22 12.356 5.822 -23.579 196 1HB LEU 22 3HB LEU 22 10.964 4.063 -22.283 197 2HB LEU 22 2HB LEU 22 10.808 3.268 -23.846 198 HG LEU 22 HG LEU 22 13.308 3.414 -24.069 199 1HD1 LEU 22 1HD1 LEU 22 14.033 5.039 -22.566 200 2HD1 LEU 22 2HD1 LEU 22 14.363 3.565 -21.655 201 3HD1 LEU 22 3HD1 LEU 22 12.917 4.514 -21.306 202 1HD2 LEU 22 1HD2 LEU 22 12.052 1.399 -23.351 203 2HD2 LEU 22 2HD2 LEU 22 12.262 1.906 -21.675 204 3HD2 LEU 22 3HD2 LEU 22 13.669 1.484 -22.654 205 H GLN 23 H GLN 23 9.632 4.947 -25.557 206 HA GLN 23 HA GLN 23 11.082 3.865 -27.766 207 1HB GLN 23 3HB GLN 23 9.029 4.373 -29.048 208 2HB GLN 23 2HB GLN 23 8.668 3.565 -27.529 209 1HG GLN 23 2HG GLN 23 8.197 5.686 -26.474 210 2HG GLN 23 1HG GLN 23 8.610 6.538 -27.957 211 1HE2 GLN 23 1HE2 GLN 23 6.168 7.246 -27.463 212 2HE2 GLN 23 2HE2 GLN 23 4.981 6.307 -28.232 213 H ALA 24 H ALA 24 10.079 6.930 -26.706 214 HA ALA 24 HA ALA 24 11.114 8.394 -29.004 215 1HB ALA 24 1HB ALA 24 9.889 10.132 -28.198 216 2HB ALA 24 2HB ALA 24 10.518 9.920 -26.563 217 3HB ALA 24 3HB ALA 24 9.173 8.927 -27.128 218 H PHE 25 H PHE 25 12.274 7.175 -26.035 219 HA PHE 25 HA PHE 25 14.892 8.399 -26.505 220 1HB PHE 25 3HB PHE 25 13.452 8.747 -23.860 221 2HB PHE 25 2HB PHE 25 15.075 9.318 -24.250 222 HD1 PHE 25 HD1 PHE 25 11.590 10.126 -24.274 223 HD2 PHE 25 HD2 PHE 25 15.299 10.915 -26.292 224 HE1 PHE 25 HE1 PHE 25 10.633 12.209 -25.218 225 HE2 PHE 25 HE2 PHE 25 14.341 12.998 -27.236 226 HZ PHE 25 HZ PHE 25 12.009 13.645 -26.699 227 HA PRO 26 HA PRO 26 14.762 4.011 -24.992 228 1HB PRO 26 3HB PRO 26 16.182 3.028 -27.128 229 2HB PRO 26 2HB PRO 26 14.415 3.133 -27.084 230 1HG PRO 26 2HG PRO 26 16.369 4.893 -28.518 231 2HG PRO 26 1HG PRO 26 14.710 4.459 -28.966 232 1HD PRO 26 2HD PRO 26 15.442 6.898 -27.812 233 2HD PRO 26 1HD PRO 26 13.805 6.223 -27.788 234 H ASP 27 H ASP 27 16.941 6.468 -25.416 235 HA ASP 27 HA ASP 27 19.256 4.847 -24.505 236 1HB ASP 27 3HB ASP 27 19.018 7.051 -26.296 237 2HB ASP 27 2HB ASP 27 19.977 7.552 -24.908 238 H MET 28 H MET 28 17.041 7.401 -23.759 239 HA MET 28 HA MET 28 18.275 8.357 -21.395 240 1HB MET 28 3HB MET 28 16.211 9.324 -22.749 241 2HB MET 28 2HB MET 28 15.320 8.296 -21.635 242 1HG MET 28 2HG MET 28 16.639 9.362 -19.753 243 2HG MET 28 1HG MET 28 17.211 10.537 -20.931 244 1HE MET 28 1HE MET 28 13.592 11.591 -22.329 245 2HE MET 28 2HE MET 28 13.943 9.870 -22.449 246 3HE MET 28 3HE MET 28 15.201 11.045 -22.821 247 H HIS 29 H HIS 29 18.912 6.929 -20.138 248 HA HIS 29 HA HIS 29 17.888 4.412 -19.646 249 1HB HIS 29 3HB HIS 29 20.037 5.789 -18.898 250 2HB HIS 29 2HB HIS 29 19.117 5.872 -17.391 251 HD1 HIS 29 HD1 HIS 29 19.312 3.847 -15.924 252 HD2 HIS 29 HD2 HIS 29 20.116 3.018 -19.919 253 HE1 HIS 29 HE1 HIS 29 19.923 1.406 -16.003 254 H ASN 30 H ASN 30 16.305 3.573 -18.369 255 HA ASN 30 HA ASN 30 14.124 5.050 -17.446 256 1HB ASN 30 3HB ASN 30 14.291 2.520 -17.573 257 2HB ASN 30 2HB ASN 30 15.199 2.576 -16.061 258 1HD2 ASN 30 1HD2 ASN 30 13.687 1.763 -14.561 259 2HD2 ASN 30 2HD2 ASN 30 12.141 2.422 -14.321 260 H SER 31 H SER 31 17.284 4.616 -16.054 261 HA SER 31 HA SER 31 16.809 5.333 -13.377 262 1HB SER 31 3HB SER 31 19.013 4.809 -13.603 263 2HB SER 31 2HB SER 31 19.092 5.493 -15.217 264 HG SER 31 HG SER 31 19.888 7.214 -14.339 265 H ASN 32 H ASN 32 16.800 7.205 -16.306 266 HA ASN 32 HA ASN 32 16.493 9.731 -14.770 267 1HB ASN 32 3HB ASN 32 17.955 9.121 -17.060 268 2HB ASN 32 2HB ASN 32 16.570 10.046 -17.625 269 1HD2 ASN 32 1HD2 ASN 32 19.590 10.257 -15.907 270 2HD2 ASN 32 2HD2 ASN 32 19.499 11.912 -15.540 271 H ILE 33 H ILE 33 14.917 7.673 -17.184 272 HA ILE 33 HA ILE 33 12.759 9.334 -17.901 273 HB ILE 33 HB ILE 33 12.827 6.347 -17.421 274 1HG1 ILE 33 2HG1 ILE 33 14.190 7.515 -19.293 275 2HG1 ILE 33 1HG1 ILE 33 13.159 6.163 -19.759 276 1HG2 ILE 33 1HG2 ILE 33 10.547 6.605 -17.334 277 2HG2 ILE 33 2HG2 ILE 33 10.728 6.683 -19.087 278 3HG2 ILE 33 3HG2 ILE 33 10.591 8.169 -18.148 279 1HD1 ILE 33 1HD1 ILE 33 12.463 9.106 -19.986 280 2HD1 ILE 33 2HD1 ILE 33 11.365 7.778 -20.360 281 3HD1 ILE 33 3HD1 ILE 33 12.825 8.011 -21.322 282 H SER 34 H SER 34 13.431 7.662 -14.924 283 HA SER 34 HA SER 34 10.899 7.638 -13.684 284 1HB SER 34 3HB SER 34 13.659 7.441 -12.891 285 2HB SER 34 2HB SER 34 12.781 8.442 -11.739 286 HG SER 34 HG SER 34 11.357 6.778 -11.399 287 H LYS 35 H LYS 35 13.335 10.239 -13.795 288 HA LYS 35 HA LYS 35 11.762 12.103 -12.292 289 1HB LYS 35 3HB LYS 35 14.067 12.452 -14.225 290 2HB LYS 35 2HB LYS 35 13.372 13.774 -13.288 291 1HG LYS 35 2HG LYS 35 15.309 12.910 -12.128 292 2HG LYS 35 1HG LYS 35 13.875 12.508 -11.196 293 1HD LYS 35 2HD LYS 35 13.975 10.236 -11.839 294 2HD LYS 35 1HD LYS 35 15.050 10.580 -13.195 295 1HE LYS 35 2HE LYS 35 16.813 10.151 -11.868 296 2HE LYS 35 1HE LYS 35 16.360 11.533 -10.870 297 1HZ LYS 35 1HZ LYS 35 16.346 8.909 -10.106 298 2HZ LYS 35 2HZ LYS 35 14.705 9.266 -10.367 299 3HZ LYS 35 3HZ LYS 35 15.618 10.198 -9.279 300 H ILE 36 H ILE 36 12.056 11.125 -15.583 301 HA ILE 36 HA ILE 36 10.662 13.300 -16.797 302 HB ILE 36 HB ILE 36 11.368 10.535 -17.572 303 1HG1 ILE 36 2HG1 ILE 36 12.526 11.716 -19.407 304 2HG1 ILE 36 1HG1 ILE 36 11.848 13.242 -18.839 305 1HG2 ILE 36 1HG2 ILE 36 10.287 11.067 -19.846 306 2HG2 ILE 36 2HG2 ILE 36 9.370 12.300 -18.981 307 3HG2 ILE 36 3HG2 ILE 36 9.198 10.602 -18.539 308 1HD1 ILE 36 1HD1 ILE 36 14.113 13.035 -17.983 309 2HD1 ILE 36 2HD1 ILE 36 13.758 11.436 -17.329 310 3HD1 ILE 36 3HD1 ILE 36 12.987 12.864 -16.638 311 H LEU 37 H LEU 37 9.660 10.031 -15.927 312 HA LEU 37 HA LEU 37 6.896 10.233 -16.466 313 1HB LEU 37 3HB LEU 37 8.490 8.710 -14.419 314 2HB LEU 37 2HB LEU 37 6.747 8.550 -14.555 315 HG LEU 37 HG LEU 37 8.781 7.995 -16.728 316 1HD1 LEU 37 1HD1 LEU 37 7.575 6.447 -14.612 317 2HD1 LEU 37 2HD1 LEU 37 8.829 5.975 -15.759 318 3HD1 LEU 37 3HD1 LEU 37 7.127 5.789 -16.185 319 1HD2 LEU 37 1HD2 LEU 37 6.922 8.727 -17.952 320 2HD2 LEU 37 2HD2 LEU 37 5.775 8.172 -16.734 321 3HD2 LEU 37 3HD2 LEU 37 6.574 7.006 -17.789 322 H GLY 38 H GLY 38 8.504 10.471 -13.314 323 1HA GLY 38 2HA GLY 38 6.285 11.438 -11.841 324 2HA GLY 38 1HA GLY 38 7.969 11.682 -11.374 325 H SER 39 H SER 39 8.080 12.996 -14.252 326 HA SER 39 HA SER 39 7.292 15.655 -13.257 327 1HB SER 39 3HB SER 39 8.824 16.546 -14.981 328 2HB SER 39 2HB SER 39 9.667 15.432 -13.911 329 HG SER 39 HG SER 39 8.474 14.664 -16.367 330 H ARG 40 H ARG 40 6.570 13.134 -15.419 331 HA ARG 40 HA ARG 40 5.035 14.823 -17.262 332 1HB ARG 40 3HB ARG 40 5.909 12.012 -17.049 333 2HB ARG 40 2HB ARG 40 4.428 12.312 -17.932 334 1HG ARG 40 2HG ARG 40 6.484 14.237 -18.630 335 2HG ARG 40 1HG ARG 40 7.035 12.585 -18.909 336 1HD ARG 40 2HD ARG 40 4.937 12.144 -20.157 337 2HD ARG 40 1HD ARG 40 4.487 13.833 -19.959 338 HE ARG 40 HE ARG 40 7.108 13.424 -21.203 339 1HH1 ARG 40 1HH2 ARG 40 4.477 12.227 -22.567 340 2HH1 ARG 40 2HH2 ARG 40 4.244 13.441 -23.780 341 1HH2 ARG 40 1HH1 ARG 40 6.483 15.673 -22.358 342 2HH2 ARG 40 2HH1 ARG 40 5.378 15.391 -23.662 343 H TRP 41 H TRP 41 4.822 12.752 -14.529 344 HA TRP 41 HA TRP 41 1.998 12.337 -14.416 345 1HB TRP 41 3HB TRP 41 3.788 11.054 -13.198 346 2HB TRP 41 2HB TRP 41 3.987 12.453 -12.152 347 HD1 TRP 41 HD1 TRP 41 2.513 12.418 -10.078 348 HE1 TRP 41 HE1 TRP 41 0.289 11.264 -9.403 349 HE3 TRP 41 HE3 TRP 41 1.378 10.189 -14.459 350 HZ2 TRP 41 HZ2 TRP 41 -1.725 9.586 -10.650 351 HZ3 TRP 41 HZ3 TRP 41 -0.660 8.830 -14.711 352 HH2 TRP 41 HH2 TRP 41 -2.200 8.535 -12.877 353 H LYS 42 H LYS 42 4.111 14.425 -12.451 354 HA LYS 42 HA LYS 42 2.021 15.855 -11.184 355 1HB LYS 42 3HB LYS 42 4.910 16.520 -11.792 356 2HB LYS 42 2HB LYS 42 3.861 17.682 -10.980 357 1HG LYS 42 2HG LYS 42 3.308 15.808 -9.327 358 2HG LYS 42 1HG LYS 42 4.661 14.925 -10.032 359 1HD LYS 42 2HD LYS 42 5.887 17.278 -9.612 360 2HD LYS 42 1HD LYS 42 4.675 17.373 -8.334 361 1HE LYS 42 2HE LYS 42 6.587 15.056 -8.756 362 2HE LYS 42 1HE LYS 42 6.764 16.309 -7.526 363 1HZ LYS 42 1HZ LYS 42 5.599 14.880 -6.277 364 2HZ LYS 42 2HZ LYS 42 4.967 14.042 -7.613 365 3HZ LYS 42 3HZ LYS 42 4.252 15.496 -7.104 366 H ALA 43 H ALA 43 3.330 15.907 -14.333 367 HA ALA 43 HA ALA 43 2.352 18.530 -15.031 368 1HB ALA 43 1HB ALA 43 3.697 16.284 -16.520 369 2HB ALA 43 2HB ALA 43 4.354 17.873 -16.126 370 3HB ALA 43 3HB ALA 43 3.100 17.717 -17.356 371 H MET 44 H MET 44 0.613 16.028 -14.230 372 HA MET 44 HA MET 44 -1.063 15.833 -16.656 373 1HB MET 44 3HB MET 44 -1.150 14.353 -14.005 374 2HB MET 44 2HB MET 44 -2.237 14.060 -15.353 375 1HG MET 44 2HG MET 44 0.452 14.049 -16.335 376 2HG MET 44 1HG MET 44 0.344 12.968 -14.948 377 1HE MET 44 1HE MET 44 -1.389 11.284 -14.572 378 2HE MET 44 2HE MET 44 -2.458 10.554 -15.767 379 3HE MET 44 3HE MET 44 -2.826 12.154 -15.127 380 H THR 45 H THR 45 -3.465 15.283 -14.859 381 HA THR 45 HA THR 45 -3.945 17.961 -13.699 382 HB THR 45 HB THR 45 -6.219 17.540 -15.211 383 HG1 THR 45 HG1 THR 45 -5.639 16.619 -16.991 384 1HG2 THR 45 1HG2 THR 45 -5.751 19.720 -15.511 385 2HG2 THR 45 2HG2 THR 45 -4.450 19.278 -16.618 386 3HG2 THR 45 3HG2 THR 45 -4.120 19.451 -14.895 387 H ASN 46 H ASN 46 -4.028 14.915 -12.994 388 HA ASN 46 HA ASN 46 -5.266 13.725 -11.369 389 1HB ASN 46 3HB ASN 46 -5.739 16.177 -10.566 390 2HB ASN 46 2HB ASN 46 -7.316 15.922 -11.314 391 1HD2 ASN 46 1HD2 ASN 46 -5.341 15.151 -8.548 392 2HD2 ASN 46 2HD2 ASN 46 -6.461 14.137 -7.774 393 H LEU 47 H LEU 47 -7.526 15.578 -13.430 394 HA LEU 47 HA LEU 47 -9.428 13.453 -13.677 395 1HB LEU 47 3HB LEU 47 -8.822 15.908 -15.311 396 2HB LEU 47 2HB LEU 47 -10.007 14.729 -15.874 397 HG LEU 47 HG LEU 47 -11.019 14.921 -13.501 398 1HD1 LEU 47 1HD1 LEU 47 -9.284 16.111 -12.375 399 2HD1 LEU 47 2HD1 LEU 47 -10.601 17.268 -12.578 400 3HD1 LEU 47 3HD1 LEU 47 -9.198 17.330 -13.647 401 1HD2 LEU 47 1HD2 LEU 47 -11.919 15.858 -15.700 402 2HD2 LEU 47 2HD2 LEU 47 -11.176 17.391 -15.242 403 3HD2 LEU 47 3HD2 LEU 47 -12.449 16.694 -14.240 404 H GLU 48 H GLU 48 -6.362 14.055 -15.130 405 HA GLU 48 HA GLU 48 -6.823 12.280 -17.403 406 1HB GLU 48 3HB GLU 48 -4.727 14.106 -16.503 407 2HB GLU 48 2HB GLU 48 -4.063 12.586 -17.104 408 1HG GLU 48 2HG GLU 48 -5.179 12.830 -19.213 409 2HG GLU 48 1HG GLU 48 -6.139 14.184 -18.617 410 H LYS 49 H LYS 49 -5.221 12.140 -14.247 411 HA LYS 49 HA LYS 49 -4.365 9.367 -14.690 412 1HB LYS 49 3HB LYS 49 -3.589 9.533 -12.313 413 2HB LYS 49 2HB LYS 49 -2.878 10.738 -13.373 414 1HG LYS 49 2HG LYS 49 -5.105 12.050 -12.479 415 2HG LYS 49 1HG LYS 49 -4.702 11.067 -11.077 416 1HD LYS 49 2HD LYS 49 -2.234 12.015 -11.907 417 2HD LYS 49 1HD LYS 49 -3.304 13.391 -12.178 418 1HE LYS 49 2HE LYS 49 -4.185 13.043 -9.830 419 2HE LYS 49 1HE LYS 49 -2.891 11.867 -9.594 420 1HZ LYS 49 1HZ LYS 49 -2.617 14.755 -10.209 421 2HZ LYS 49 2HZ LYS 49 -1.320 13.659 -10.280 422 3HZ LYS 49 3HZ LYS 49 -2.114 13.945 -8.805 423 H GLN 50 H GLN 50 -7.282 10.600 -14.237 424 HA GLN 50 HA GLN 50 -8.366 9.302 -11.956 425 1HB GLN 50 3HB GLN 50 -9.330 10.936 -13.975 426 2HB GLN 50 2HB GLN 50 -10.202 9.419 -14.216 427 1HG GLN 50 2HG GLN 50 -10.719 9.404 -11.766 428 2HG GLN 50 1HG GLN 50 -10.011 11.016 -11.659 429 1HE2 GLN 50 1HE2 GLN 50 -12.955 9.447 -12.073 430 2HE2 GLN 50 2HE2 GLN 50 -13.813 10.695 -12.837 431 HA PRO 51 HA PRO 51 -9.515 5.669 -14.826 432 1HB PRO 51 3HB PRO 51 -8.381 5.618 -17.319 433 2HB PRO 51 2HB PRO 51 -9.937 6.367 -16.949 434 1HG PRO 51 2HG PRO 51 -7.318 7.676 -17.497 435 2HG PRO 51 1HG PRO 51 -8.956 8.299 -17.756 436 1HD PRO 51 2HD PRO 51 -7.252 8.968 -15.603 437 2HD PRO 51 1HD PRO 51 -8.992 9.313 -15.693 438 H TYR 52 H TYR 52 -6.274 6.967 -14.947 439 HA TYR 52 HA TYR 52 -4.974 4.360 -15.208 440 1HB TYR 52 3HB TYR 52 -3.776 6.889 -14.049 441 2HB TYR 52 2HB TYR 52 -2.923 5.546 -14.811 442 HD1 TYR 52 HD1 TYR 52 -2.906 8.573 -15.580 443 HD2 TYR 52 HD2 TYR 52 -5.086 5.167 -17.012 444 HE1 TYR 52 HE1 TYR 52 -3.179 9.672 -17.773 445 HE2 TYR 52 HE2 TYR 52 -5.362 6.257 -19.206 446 HH TYR 52 HH TYR 52 -5.342 8.969 -19.936 447 H TYR 53 H TYR 53 -6.750 5.905 -12.864 448 HA TYR 53 HA TYR 53 -5.306 4.891 -10.530 449 1HB TYR 53 3HB TYR 53 -7.338 6.812 -11.089 450 2HB TYR 53 2HB TYR 53 -7.993 5.644 -9.951 451 HD1 TYR 53 HD1 TYR 53 -6.366 4.962 -7.974 452 HD2 TYR 53 HD2 TYR 53 -6.026 8.557 -10.297 453 HE1 TYR 53 HE1 TYR 53 -5.013 5.996 -6.176 454 HE2 TYR 53 HE2 TYR 53 -4.675 9.595 -8.499 455 HH TYR 53 HH TYR 53 -3.927 7.803 -5.501 456 H GLU 54 H GLU 54 -8.613 4.364 -11.760 457 HA GLU 54 HA GLU 54 -9.083 1.977 -10.317 458 1HB GLU 54 3HB GLU 54 -10.679 1.496 -12.312 459 2HB GLU 54 2HB GLU 54 -10.987 2.934 -11.342 460 1HG GLU 54 2HG GLU 54 -10.737 4.227 -13.166 461 2HG GLU 54 1HG GLU 54 -9.097 3.615 -13.383 462 H GLU 55 H GLU 55 -7.302 2.609 -13.260 463 HA GLU 55 HA GLU 55 -7.143 -0.077 -14.216 464 1HB GLU 55 3HB GLU 55 -5.751 2.450 -14.702 465 2HB GLU 55 2HB GLU 55 -4.800 1.010 -15.045 466 1HG GLU 55 2HG GLU 55 -7.522 0.730 -16.021 467 2HG GLU 55 1HG GLU 55 -6.752 2.163 -16.702 468 H GLN 56 H GLN 56 -5.768 1.465 -11.484 469 HA GLN 56 HA GLN 56 -3.480 -0.359 -11.285 470 1HB GLN 56 3HB GLN 56 -2.803 0.947 -9.518 471 2HB GLN 56 2HB GLN 56 -3.800 2.124 -10.341 472 1HG GLN 56 2HG GLN 56 -5.640 1.683 -8.813 473 2HG GLN 56 1HG GLN 56 -4.757 0.350 -8.073 474 1HE2 GLN 56 1HE2 GLN 56 -3.374 0.867 -6.344 475 2HE2 GLN 56 2HE2 GLN 56 -2.972 2.451 -5.884 476 H ALA 57 H ALA 57 -6.471 0.225 -9.510 477 HA ALA 57 HA ALA 57 -6.313 -2.020 -7.794 478 1HB ALA 57 1HB ALA 57 -7.996 0.071 -7.964 479 2HB ALA 57 2HB ALA 57 -8.412 -1.406 -7.092 480 3HB ALA 57 3HB ALA 57 -8.996 -1.157 -8.739 481 H ARG 58 H ARG 58 -7.388 -1.681 -11.116 482 HA ARG 58 HA ARG 58 -8.714 -4.245 -11.283 483 1HB ARG 58 3HB ARG 58 -7.661 -2.259 -13.279 484 2HB ARG 58 2HB ARG 58 -8.163 -3.861 -13.821 485 1HG ARG 58 2HG ARG 58 -9.862 -1.856 -12.306 486 2HG ARG 58 1HG ARG 58 -10.058 -2.337 -13.992 487 1HD ARG 58 2HD ARG 58 -10.547 -3.982 -11.510 488 2HD ARG 58 1HD ARG 58 -11.660 -3.636 -12.833 489 HE ARG 58 HE ARG 58 -9.239 -5.335 -13.271 490 1HH1 ARG 58 1HH2 ARG 58 -12.434 -5.692 -12.446 491 2HH1 ARG 58 2HH2 ARG 58 -12.884 -6.652 -13.816 492 1HH2 ARG 58 1HH1 ARG 58 -9.887 -6.149 -15.487 493 2HH2 ARG 58 2HH1 ARG 58 -11.441 -6.911 -15.537 494 H LEU 59 H LEU 59 -5.592 -3.147 -12.589 495 HA LEU 59 HA LEU 59 -4.630 -5.751 -13.226 496 1HB LEU 59 3HB LEU 59 -2.401 -4.628 -13.290 497 2HB LEU 59 2HB LEU 59 -3.631 -3.759 -14.200 498 HG LEU 59 HG LEU 59 -4.010 -2.457 -11.961 499 1HD1 LEU 59 1HD1 LEU 59 -1.669 -4.128 -11.393 500 2HD1 LEU 59 2HD1 LEU 59 -2.689 -3.212 -10.283 501 3HD1 LEU 59 3HD1 LEU 59 -1.361 -2.413 -11.122 502 1HD2 LEU 59 1HD2 LEU 59 -2.283 -0.837 -12.633 503 2HD2 LEU 59 2HD2 LEU 59 -3.070 -1.510 -14.061 504 3HD2 LEU 59 3HD2 LEU 59 -1.469 -2.078 -13.585 505 H SER 60 H SER 60 -5.114 -4.285 -10.192 506 HA SER 60 HA SER 60 -2.898 -5.620 -8.819 507 1HB SER 60 3HB SER 60 -3.619 -4.501 -6.930 508 2HB SER 60 2HB SER 60 -4.363 -3.471 -8.150 509 HG SER 60 HG SER 60 -6.191 -4.027 -7.299 510 H LYS 61 H LYS 61 -6.396 -6.018 -9.093 511 HA LYS 61 HA LYS 61 -6.554 -8.450 -7.573 512 1HB LYS 61 3HB LYS 61 -8.382 -6.715 -8.500 513 2HB LYS 61 2HB LYS 61 -8.484 -7.922 -9.783 514 1HG LYS 61 2HG LYS 61 -9.747 -9.216 -8.440 515 2HG LYS 61 1HG LYS 61 -8.398 -9.331 -7.310 516 1HD LYS 61 2HD LYS 61 -9.176 -6.980 -6.500 517 2HD LYS 61 1HD LYS 61 -10.692 -7.379 -7.310 518 1HE LYS 61 2HE LYS 61 -11.056 -8.173 -5.133 519 2HE LYS 61 1HE LYS 61 -10.525 -9.622 -5.985 520 1HZ LYS 61 1HZ LYS 61 -9.277 -8.237 -3.833 521 2HZ LYS 61 2HZ LYS 61 -8.218 -8.403 -5.151 522 3HZ LYS 61 3HZ LYS 61 -8.941 -9.777 -4.460 523 H GLN 62 H GLN 62 -6.155 -7.723 -11.013 524 HA GLN 62 HA GLN 62 -6.239 -10.491 -11.871 525 1HB GLN 62 3HB GLN 62 -5.178 -7.967 -13.171 526 2HB GLN 62 2HB GLN 62 -5.190 -9.538 -13.973 527 1HG GLN 62 2HG GLN 62 -7.776 -9.197 -12.892 528 2HG GLN 62 1HG GLN 62 -7.357 -7.660 -13.648 529 1HE2 GLN 62 1HE2 GLN 62 -8.577 -7.847 -15.587 530 2HE2 GLN 62 2HE2 GLN 62 -8.328 -9.075 -16.731 531 H HIS 63 H HIS 63 -3.778 -8.313 -10.677 532 HA HIS 63 HA HIS 63 -1.426 -9.594 -11.546 533 1HB HIS 63 3HB HIS 63 -1.501 -7.460 -10.256 534 2HB HIS 63 2HB HIS 63 -1.925 -8.378 -8.815 535 HD1 HIS 63 HD1 HIS 63 0.276 -10.548 -10.499 536 HD2 HIS 63 HD2 HIS 63 0.870 -7.037 -8.330 537 HE1 HIS 63 HE1 HIS 63 2.703 -10.551 -9.783 538 H LEU 64 H LEU 64 -2.970 -10.076 -8.368 539 HA LEU 64 HA LEU 64 -1.511 -12.392 -7.674 540 1HB LEU 64 3HB LEU 64 -4.217 -11.340 -6.880 541 2HB LEU 64 2HB LEU 64 -3.653 -12.895 -6.275 542 HG LEU 64 HG LEU 64 -1.823 -10.531 -6.091 543 1HD1 LEU 64 1HD1 LEU 64 -4.263 -11.067 -4.393 544 2HD1 LEU 64 2HD1 LEU 64 -3.752 -9.546 -5.126 545 3HD1 LEU 64 3HD1 LEU 64 -2.866 -10.202 -3.750 546 1HD2 LEU 64 1HD2 LEU 64 -1.495 -13.113 -5.433 547 2HD2 LEU 64 2HD2 LEU 64 -2.250 -12.556 -3.940 548 3HD2 LEU 64 3HD2 LEU 64 -0.751 -11.814 -4.500 549 H GLU 65 H GLU 65 -4.681 -12.147 -9.254 550 HA GLU 65 HA GLU 65 -5.101 -14.926 -9.582 551 1HB GLU 65 3HB GLU 65 -6.029 -12.548 -11.203 552 2HB GLU 65 2HB GLU 65 -6.584 -14.195 -11.507 553 1HG GLU 65 2HG GLU 65 -6.776 -13.636 -8.691 554 2HG GLU 65 1HG GLU 65 -7.593 -12.360 -9.595 555 H LYS 66 H LYS 66 -2.817 -12.848 -11.016 556 HA LYS 66 HA LYS 66 -2.538 -14.470 -13.470 557 1HB LYS 66 3HB LYS 66 -1.416 -11.902 -12.451 558 2HB LYS 66 2HB LYS 66 -0.459 -12.808 -13.622 559 1HG LYS 66 2HG LYS 66 -3.188 -12.818 -14.488 560 2HG LYS 66 1HG LYS 66 -2.725 -11.159 -14.115 561 1HD LYS 66 2HD LYS 66 -0.501 -12.101 -15.449 562 2HD LYS 66 1HD LYS 66 -1.820 -12.905 -16.300 563 1HE LYS 66 2HE LYS 66 -1.509 -10.813 -17.411 564 2HE LYS 66 1HE LYS 66 -2.957 -10.623 -16.421 565 1HZ LYS 66 1HZ LYS 66 -0.702 -9.982 -14.877 566 2HZ LYS 66 2HZ LYS 66 -1.984 -8.971 -15.347 567 3HZ LYS 66 3HZ LYS 66 -0.610 -9.120 -16.334 568 H TYR 67 H TYR 67 -0.999 -14.060 -10.355 569 HA TYR 67 HA TYR 67 1.084 -16.026 -11.212 570 1HB TYR 67 3HB TYR 67 1.268 -13.570 -9.749 571 2HB TYR 67 2HB TYR 67 1.769 -14.899 -8.701 572 HD1 TYR 67 HD1 TYR 67 3.328 -12.568 -10.377 573 HD2 TYR 67 HD2 TYR 67 2.814 -16.817 -10.708 574 HE1 TYR 67 HE1 TYR 67 5.476 -12.732 -11.601 575 HE2 TYR 67 HE2 TYR 67 4.961 -16.985 -11.933 576 HH TYR 67 HH TYR 67 7.269 -14.925 -11.888 577 HA PRO 68 HA PRO 68 -1.498 -18.348 -8.218 578 1HB PRO 68 3HB PRO 68 -1.618 -20.604 -9.766 579 2HB PRO 68 2HB PRO 68 -2.779 -19.279 -9.899 580 1HG PRO 68 2HG PRO 68 -0.552 -20.007 -11.741 581 2HG PRO 68 1HG PRO 68 -2.067 -19.158 -12.094 582 1HD PRO 68 2HD PRO 68 0.472 -17.949 -11.777 583 2HD PRO 68 1HD PRO 68 -1.093 -17.108 -11.794 584 H ASP 69 H ASP 69 0.693 -20.136 -10.343 585 HA ASP 69 HA ASP 69 1.901 -21.562 -8.139 586 1HB ASP 69 3HB ASP 69 1.613 -22.587 -10.387 587 2HB ASP 69 2HB ASP 69 2.761 -21.418 -11.040 588 H TYR 70 H TYR 70 2.309 -19.027 -7.436 589 HA TYR 70 HA TYR 70 4.559 -17.687 -8.498 590 1HB TYR 70 3HB TYR 70 2.942 -16.638 -6.948 591 2HB TYR 70 2HB TYR 70 3.540 -17.670 -5.648 592 HD1 TYR 70 HD1 TYR 70 5.444 -15.938 -8.362 593 HD2 TYR 70 HD2 TYR 70 4.618 -16.205 -4.155 594 HE1 TYR 70 HE1 TYR 70 7.258 -14.310 -7.902 595 HE2 TYR 70 HE2 TYR 70 6.433 -14.578 -3.696 596 HH TYR 70 HH TYR 70 7.638 -12.555 -5.714 Start of MODEL 15 1 HA PRO 1 HA PRO 1 9.219 -10.504 2.074 2 1HB PRO 1 3HB PRO 1 6.410 -10.420 1.499 3 2HB PRO 1 2HB PRO 1 7.283 -11.598 2.489 4 1HG PRO 1 2HG PRO 1 5.504 -9.537 3.370 5 2HG PRO 1 1HG PRO 1 6.393 -10.705 4.358 6 1HD PRO 1 2HD PRO 1 6.895 -7.897 4.066 7 2HD PRO 1 1HD PRO 1 7.766 -9.064 5.066 8 H HIS 2 H HIS 2 7.419 -10.685 -0.125 9 HA HIS 2 HA HIS 2 8.278 -8.285 -1.680 10 1HB HIS 2 3HB HIS 2 7.322 -10.282 -3.450 11 2HB HIS 2 2HB HIS 2 8.992 -9.775 -3.216 12 HD1 HIS 2 HD1 HIS 2 10.546 -11.498 -2.265 13 HD2 HIS 2 HD2 HIS 2 6.553 -12.448 -1.535 14 HE1 HIS 2 HE1 HIS 2 10.541 -13.789 -1.184 15 H ILE 3 H ILE 3 6.573 -6.853 -1.566 16 HA ILE 3 HA ILE 3 3.874 -7.923 -2.243 17 HB ILE 3 HB ILE 3 3.131 -5.782 -1.006 18 1HG1 ILE 3 2HG1 ILE 3 5.829 -6.104 0.304 19 2HG1 ILE 3 1HG1 ILE 3 5.555 -4.937 -0.989 20 1HG2 ILE 3 1HG2 ILE 3 2.529 -7.612 0.224 21 2HG2 ILE 3 2HG2 ILE 3 3.852 -7.083 1.263 22 3HG2 ILE 3 3HG2 ILE 3 4.122 -8.354 0.072 23 1HD1 ILE 3 1HD1 ILE 3 5.143 -3.662 0.934 24 2HD1 ILE 3 2HD1 ILE 3 4.366 -5.002 1.774 25 3HD1 ILE 3 3HD1 ILE 3 3.523 -4.173 0.465 26 H LYS 4 H LYS 4 2.472 -5.955 -3.095 27 HA LYS 4 HA LYS 4 3.947 -4.905 -5.404 28 1HB LYS 4 3HB LYS 4 1.299 -5.652 -4.969 29 2HB LYS 4 2HB LYS 4 1.229 -3.891 -5.058 30 1HG LYS 4 2HG LYS 4 1.464 -3.987 -7.291 31 2HG LYS 4 1HG LYS 4 3.012 -4.810 -7.095 32 1HD LYS 4 2HD LYS 4 1.955 -6.968 -7.058 33 2HD LYS 4 1HD LYS 4 0.350 -6.243 -6.955 34 1HE LYS 4 2HE LYS 4 0.565 -6.828 -9.237 35 2HE LYS 4 1HE LYS 4 0.928 -5.102 -9.200 36 1HZ LYS 4 1HZ LYS 4 2.601 -7.274 -9.948 37 2HZ LYS 4 2HZ LYS 4 3.317 -6.361 -8.707 38 3HZ LYS 4 3HZ LYS 4 2.846 -5.608 -10.154 39 H ARG 5 H ARG 5 5.382 -3.513 -4.180 40 HA ARG 5 HA ARG 5 4.409 -1.385 -2.506 41 1HB ARG 5 3HB ARG 5 6.823 -2.420 -2.799 42 2HB ARG 5 2HB ARG 5 6.995 -1.139 -3.998 43 1HG ARG 5 2HG ARG 5 6.356 0.540 -2.313 44 2HG ARG 5 1HG ARG 5 6.169 -0.736 -1.109 45 1HD ARG 5 2HD ARG 5 8.346 -0.064 -0.660 46 2HD ARG 5 1HD ARG 5 8.644 -1.339 -1.841 47 HE ARG 5 HE ARG 5 9.559 0.333 -3.209 48 1HH1 ARG 5 1HH1 ARG 5 7.601 1.733 -0.774 49 2HH1 ARG 5 2HH1 ARG 5 7.554 3.299 -1.512 50 1HH2 ARG 5 1HH2 ARG 5 9.301 2.314 -4.339 51 2HH2 ARG 5 2HH2 ARG 5 8.517 3.628 -3.528 52 HA PRO 6 HA PRO 6 4.901 1.342 -6.409 53 1HB PRO 6 3HB PRO 6 5.201 0.065 -8.822 54 2HB PRO 6 2HB PRO 6 6.558 0.549 -7.792 55 1HG PRO 6 2HG PRO 6 5.444 -2.171 -8.269 56 2HG PRO 6 1HG PRO 6 7.078 -1.700 -7.774 57 1HD PRO 6 2HD PRO 6 5.036 -2.716 -6.087 58 2HD PRO 6 1HD PRO 6 6.571 -1.995 -5.563 59 H MET 7 H MET 7 2.472 0.837 -5.530 60 HA MET 7 HA MET 7 0.831 0.172 -7.890 61 1HB MET 7 3HB MET 7 -0.762 0.364 -5.587 62 2HB MET 7 2HB MET 7 -0.509 -1.009 -6.637 63 1HG MET 7 2HG MET 7 1.501 -1.636 -5.395 64 2HG MET 7 1HG MET 7 1.280 -0.250 -4.331 65 1HE MET 7 1HE MET 7 -0.963 -0.438 -2.156 66 2HE MET 7 2HE MET 7 -2.324 -0.829 -3.205 67 3HE MET 7 3HE MET 7 -1.087 0.297 -3.759 68 H ASN 8 H ASN 8 0.517 1.989 -8.754 69 HA ASN 8 HA ASN 8 -0.869 4.128 -7.390 70 1HB ASN 8 3HB ASN 8 1.666 5.140 -8.450 71 2HB ASN 8 2HB ASN 8 0.800 5.619 -7.013 72 1HD2 ASN 8 1HD2 ASN 8 2.887 2.970 -8.257 73 2HD2 ASN 8 2HD2 ASN 8 3.567 2.607 -6.745 74 H ALA 9 H ALA 9 -1.768 5.594 -8.927 75 HA ALA 9 HA ALA 9 -2.068 4.583 -11.568 76 1HB ALA 9 1HB ALA 9 -2.815 7.120 -11.926 77 2HB ALA 9 2HB ALA 9 -2.781 7.118 -10.164 78 3HB ALA 9 3HB ALA 9 -3.822 5.988 -11.028 79 H PHE 10 H PHE 10 0.234 6.686 -10.100 80 HA PHE 10 HA PHE 10 1.233 7.887 -12.491 81 1HB PHE 10 3HB PHE 10 1.705 9.010 -10.544 82 2HB PHE 10 2HB PHE 10 2.165 7.552 -9.688 83 HD1 PHE 10 HD1 PHE 10 4.405 7.700 -9.043 84 HD2 PHE 10 HD2 PHE 10 3.249 9.029 -12.958 85 HE1 PHE 10 HE1 PHE 10 6.785 8.128 -9.598 86 HE2 PHE 10 HE2 PHE 10 5.622 9.456 -13.507 87 HZ PHE 10 HZ PHE 10 7.393 9.008 -11.834 88 H MET 11 H MET 11 2.790 5.433 -10.412 89 HA MET 11 HA MET 11 4.703 4.698 -12.419 90 1HB MET 11 3HB MET 11 3.666 3.405 -9.903 91 2HB MET 11 2HB MET 11 4.674 2.467 -11.007 92 1HG MET 11 2HG MET 11 5.968 4.947 -10.772 93 2HG MET 11 1HG MET 11 5.456 4.540 -9.134 94 1HE MET 11 1HE MET 11 8.213 4.464 -8.593 95 2HE MET 11 2HE MET 11 8.289 4.942 -10.286 96 3HE MET 11 3HE MET 11 9.295 3.617 -9.707 97 H VAL 12 H VAL 12 1.362 4.177 -12.000 98 HA VAL 12 HA VAL 12 1.230 1.738 -13.594 99 HB VAL 12 HB VAL 12 -0.753 3.632 -12.358 100 1HG1 VAL 12 1HG1 VAL 12 -1.449 1.357 -14.232 101 2HG1 VAL 12 2HG1 VAL 12 -1.646 3.074 -14.585 102 3HG1 VAL 12 3HG1 VAL 12 -2.598 2.322 -13.305 103 1HG2 VAL 12 1HG2 VAL 12 -1.234 1.871 -10.922 104 2HG2 VAL 12 2HG2 VAL 12 0.477 1.585 -11.241 105 3HG2 VAL 12 3HG2 VAL 12 -0.748 0.647 -12.094 106 H TRP 13 H TRP 13 0.400 5.153 -13.936 107 HA TRP 13 HA TRP 13 -0.256 4.770 -16.783 108 1HB TRP 13 3HB TRP 13 -1.498 6.539 -16.108 109 2HB TRP 13 2HB TRP 13 -0.443 6.876 -14.752 110 HD1 TRP 13 HD1 TRP 13 -1.498 8.183 -17.935 111 HE1 TRP 13 HE1 TRP 13 0.000 10.132 -18.649 112 HE3 TRP 13 HE3 TRP 13 2.395 7.617 -14.696 113 HZ2 TRP 13 HZ2 TRP 13 2.526 11.288 -18.011 114 HZ3 TRP 13 HZ3 TRP 13 4.335 9.133 -14.779 115 HH2 TRP 13 HH2 TRP 13 4.397 10.971 -16.422 116 H ALA 14 H ALA 14 2.416 5.759 -14.846 117 HA ALA 14 HA ALA 14 4.004 6.912 -16.946 118 1HB ALA 14 1HB ALA 14 5.093 5.740 -14.404 119 2HB ALA 14 2HB ALA 14 4.157 7.231 -14.390 120 3HB ALA 14 3HB ALA 14 5.660 7.145 -15.302 121 H LYS 15 H LYS 15 3.442 3.624 -15.888 122 HA LYS 15 HA LYS 15 5.851 2.493 -16.907 123 1HB LYS 15 3HB LYS 15 3.107 1.424 -16.291 124 2HB LYS 15 2HB LYS 15 4.305 0.396 -17.080 125 1HG LYS 15 2HG LYS 15 5.131 1.944 -14.659 126 2HG LYS 15 1HG LYS 15 4.150 0.494 -14.440 127 1HD LYS 15 2HD LYS 15 6.108 -0.193 -16.338 128 2HD LYS 15 1HD LYS 15 6.959 0.715 -15.088 129 1HE LYS 15 2HE LYS 15 6.130 -0.760 -13.359 130 2HE LYS 15 1HE LYS 15 5.074 -1.586 -14.507 131 1HZ LYS 15 1HZ LYS 15 6.732 -2.924 -15.044 132 2HZ LYS 15 2HZ LYS 15 7.729 -2.168 -13.895 133 3HZ LYS 15 3HZ LYS 15 7.699 -1.607 -15.499 134 H ASP 16 H ASP 16 2.822 3.449 -18.316 135 HA ASP 16 HA ASP 16 3.590 2.299 -20.922 136 1HB ASP 16 3HB ASP 16 1.124 2.623 -19.737 137 2HB ASP 16 2HB ASP 16 1.198 4.020 -20.811 138 H GLU 17 H GLU 17 3.310 5.282 -19.178 139 HA GLU 17 HA GLU 17 3.733 7.058 -21.404 140 1HB GLU 17 3HB GLU 17 3.299 7.199 -18.583 141 2HB GLU 17 2HB GLU 17 4.723 8.159 -18.970 142 1HG GLU 17 2HG GLU 17 2.683 8.554 -20.961 143 2HG GLU 17 1HG GLU 17 2.028 8.842 -19.354 144 H ARG 18 H ARG 18 5.783 5.349 -19.106 145 HA ARG 18 HA ARG 18 8.247 6.619 -20.032 146 1HB ARG 18 3HB ARG 18 9.359 5.274 -18.469 147 2HB ARG 18 2HB ARG 18 7.768 5.426 -17.739 148 1HG ARG 18 2HG ARG 18 8.035 3.143 -17.583 149 2HG ARG 18 1HG ARG 18 7.285 3.235 -19.173 150 1HD ARG 18 2HD ARG 18 9.420 3.074 -20.277 151 2HD ARG 18 1HD ARG 18 10.282 3.271 -18.751 152 HE ARG 18 HE ARG 18 9.046 0.800 -19.722 153 1HH1 ARG 18 1HH1 ARG 18 11.376 2.033 -17.734 154 2HH1 ARG 18 2HH1 ARG 18 11.127 0.932 -16.421 155 1HH2 ARG 18 1HH2 ARG 18 8.193 -0.376 -17.727 156 2HH2 ARG 18 2HH2 ARG 18 9.326 -0.433 -16.418 157 H ARG 19 H ARG 19 6.395 3.726 -20.678 158 HA ARG 19 HA ARG 19 8.299 2.559 -22.500 159 1HB ARG 19 3HB ARG 19 5.485 2.113 -21.679 160 2HB ARG 19 2HB ARG 19 5.845 1.666 -23.343 161 1HG ARG 19 2HG ARG 19 7.992 0.748 -21.700 162 2HG ARG 19 1HG ARG 19 6.479 0.230 -20.960 163 1HD ARG 19 2HD ARG 19 7.058 -1.498 -22.500 164 2HD ARG 19 1HD ARG 19 5.778 -0.572 -23.284 165 HE ARG 19 HE ARG 19 8.159 0.613 -24.142 166 1HH1 ARG 19 1HH2 ARG 19 5.957 -1.406 -25.393 167 2HH1 ARG 19 2HH2 ARG 19 7.039 -2.385 -26.327 168 1HH2 ARG 19 1HH1 ARG 19 9.897 -1.133 -24.815 169 2HH2 ARG 19 2HH1 ARG 19 9.270 -2.231 -25.998 170 H LYS 20 H LYS 20 5.572 4.754 -22.652 171 HA LYS 20 HA LYS 20 5.599 5.081 -25.503 172 1HB LYS 20 3HB LYS 20 3.548 5.632 -24.478 173 2HB LYS 20 2HB LYS 20 4.338 6.584 -23.223 174 1HG LYS 20 2HG LYS 20 4.733 7.463 -26.046 175 2HG LYS 20 1HG LYS 20 3.145 7.731 -25.331 176 1HD LYS 20 2HD LYS 20 4.460 8.710 -23.314 177 2HD LYS 20 1HD LYS 20 5.809 8.817 -24.445 178 1HE LYS 20 2HE LYS 20 4.679 10.926 -24.557 179 2HE LYS 20 1HE LYS 20 4.234 10.049 -26.021 180 1HZ LYS 20 1HZ LYS 20 2.330 11.093 -24.881 181 2HZ LYS 20 2HZ LYS 20 2.610 10.093 -23.536 182 3HZ LYS 20 3HZ LYS 20 2.171 9.410 -25.027 183 H ILE 21 H ILE 21 7.394 6.443 -22.887 184 HA ILE 21 HA ILE 21 8.379 8.625 -24.610 185 HB ILE 21 HB ILE 21 8.007 8.291 -21.767 186 1HG1 ILE 21 2HG1 ILE 21 8.858 10.875 -22.222 187 2HG1 ILE 21 1HG1 ILE 21 8.221 10.395 -23.794 188 1HG2 ILE 21 1HG2 ILE 21 10.696 9.450 -22.482 189 2HG2 ILE 21 2HG2 ILE 21 10.506 7.789 -21.932 190 3HG2 ILE 21 3HG2 ILE 21 10.046 9.124 -20.878 191 1HD1 ILE 21 1HD1 ILE 21 6.125 9.639 -22.679 192 2HD1 ILE 21 2HD1 ILE 21 6.424 11.361 -22.444 193 3HD1 ILE 21 3HD1 ILE 21 6.760 10.222 -21.141 194 H LEU 22 H LEU 22 9.605 5.855 -22.807 195 HA LEU 22 HA LEU 22 12.336 6.058 -23.382 196 1HB LEU 22 3HB LEU 22 11.074 4.314 -22.039 197 2HB LEU 22 2HB LEU 22 10.740 3.514 -23.565 198 HG LEU 22 HG LEU 22 13.270 3.681 -23.988 199 1HD1 LEU 22 1HD1 LEU 22 13.078 4.221 -21.019 200 2HD1 LEU 22 2HD1 LEU 22 13.905 5.190 -22.239 201 3HD1 LEU 22 3HD1 LEU 22 14.542 3.608 -21.789 202 1HD2 LEU 22 1HD2 LEU 22 13.538 1.681 -22.296 203 2HD2 LEU 22 2HD2 LEU 22 12.460 1.543 -23.687 204 3HD2 LEU 22 3HD2 LEU 22 11.801 1.909 -22.091 205 H GLN 23 H GLN 23 9.659 5.130 -25.369 206 HA GLN 23 HA GLN 23 11.116 3.970 -27.533 207 1HB GLN 23 3HB GLN 23 9.100 4.311 -28.818 208 2HB GLN 23 2HB GLN 23 8.635 3.814 -27.196 209 1HG GLN 23 2HG GLN 23 8.427 6.209 -26.593 210 2HG GLN 23 1HG GLN 23 8.716 6.618 -28.278 211 1HE2 GLN 23 1HE2 GLN 23 6.775 3.868 -27.041 212 2HE2 GLN 23 2HE2 GLN 23 5.315 4.383 -27.736 213 H ALA 24 H ALA 24 10.056 7.109 -26.680 214 HA ALA 24 HA ALA 24 11.198 8.430 -28.999 215 1HB ALA 24 1HB ALA 24 9.868 10.139 -28.354 216 2HB ALA 24 2HB ALA 24 10.593 10.165 -26.746 217 3HB ALA 24 3HB ALA 24 9.255 9.070 -27.092 218 H PHE 25 H PHE 25 12.239 7.360 -25.926 219 HA PHE 25 HA PHE 25 14.875 8.576 -26.365 220 1HB PHE 25 3HB PHE 25 13.454 8.855 -23.702 221 2HB PHE 25 2HB PHE 25 15.030 9.514 -24.139 222 HD1 PHE 25 HD1 PHE 25 14.944 10.964 -26.446 223 HD2 PHE 25 HD2 PHE 25 11.674 10.338 -23.737 224 HE1 PHE 25 HE1 PHE 25 13.837 13.012 -27.305 225 HE2 PHE 25 HE2 PHE 25 10.567 12.382 -24.592 226 HZ PHE 25 HZ PHE 25 11.648 13.719 -26.378 227 HA PRO 26 HA PRO 26 14.772 4.162 -24.959 228 1HB PRO 26 3HB PRO 26 16.454 3.324 -26.968 229 2HB PRO 26 2HB PRO 26 14.688 3.339 -27.096 230 1HG PRO 26 2HG PRO 26 16.676 5.266 -28.253 231 2HG PRO 26 1HG PRO 26 15.111 4.740 -28.904 232 1HD PRO 26 2HD PRO 26 15.501 7.181 -27.627 233 2HD PRO 26 1HD PRO 26 13.938 6.357 -27.733 234 H ASP 27 H ASP 27 16.937 6.704 -25.209 235 HA ASP 27 HA ASP 27 19.223 5.183 -24.101 236 1HB ASP 27 3HB ASP 27 18.987 7.531 -25.682 237 2HB ASP 27 2HB ASP 27 19.698 7.982 -24.136 238 H MET 28 H MET 28 16.812 7.594 -23.397 239 HA MET 28 HA MET 28 17.634 8.297 -20.758 240 1HB MET 28 3HB MET 28 15.737 9.271 -22.368 241 2HB MET 28 2HB MET 28 14.757 8.172 -21.403 242 1HG MET 28 2HG MET 28 15.323 9.232 -19.381 243 2HG MET 28 1HG MET 28 16.682 10.083 -20.112 244 1HE MET 28 1HE MET 28 16.412 11.236 -22.213 245 2HE MET 28 2HE MET 28 15.394 12.670 -22.305 246 3HE MET 28 3HE MET 28 14.850 11.164 -23.039 247 H HIS 29 H HIS 29 18.233 6.370 -19.789 248 HA HIS 29 HA HIS 29 16.424 4.118 -19.710 249 1HB HIS 29 3HB HIS 29 18.127 2.991 -18.554 250 2HB HIS 29 2HB HIS 29 18.986 4.109 -19.610 251 HD1 HIS 29 HD1 HIS 29 20.064 3.000 -16.804 252 HD2 HIS 29 HD2 HIS 29 18.379 6.750 -17.478 253 HE1 HIS 29 HE1 HIS 29 20.910 4.507 -14.957 254 H ASN 30 H ASN 30 16.009 3.099 -17.458 255 HA ASN 30 HA ASN 30 13.971 4.291 -16.128 256 1HB ASN 30 3HB ASN 30 14.997 3.088 -13.995 257 2HB ASN 30 2HB ASN 30 14.361 2.157 -15.350 258 1HD2 ASN 30 1HD2 ASN 30 15.886 1.028 -16.718 259 2HD2 ASN 30 2HD2 ASN 30 17.531 0.899 -16.318 260 H SER 31 H SER 31 17.103 4.340 -14.428 261 HA SER 31 HA SER 31 16.646 6.197 -12.515 262 1HB SER 31 3HB SER 31 19.125 6.772 -13.956 263 2HB SER 31 2HB SER 31 18.880 6.365 -12.268 264 HG SER 31 HG SER 31 19.059 4.303 -12.730 265 H ASN 32 H ASN 32 16.807 6.992 -15.937 266 HA ASN 32 HA ASN 32 16.659 9.870 -15.237 267 1HB ASN 32 3HB ASN 32 17.999 8.559 -17.256 268 2HB ASN 32 2HB ASN 32 16.588 9.234 -18.058 269 1HD2 ASN 32 1HD2 ASN 32 19.725 10.009 -17.357 270 2HD2 ASN 32 2HD2 ASN 32 19.588 11.698 -17.257 271 H ILE 33 H ILE 33 14.911 7.488 -17.239 272 HA ILE 33 HA ILE 33 12.734 9.147 -17.942 273 HB ILE 33 HB ILE 33 12.876 6.168 -17.442 274 1HG1 ILE 33 2HG1 ILE 33 14.096 7.296 -19.381 275 2HG1 ILE 33 1HG1 ILE 33 12.957 6.026 -19.835 276 1HG2 ILE 33 1HG2 ILE 33 10.538 7.881 -17.735 277 2HG2 ILE 33 2HG2 ILE 33 10.612 6.153 -17.392 278 3HG2 ILE 33 3HG2 ILE 33 10.649 6.723 -19.061 279 1HD1 ILE 33 1HD1 ILE 33 12.548 7.894 -21.298 280 2HD1 ILE 33 2HD1 ILE 33 12.509 9.018 -19.940 281 3HD1 ILE 33 3HD1 ILE 33 11.219 7.836 -20.144 282 H SER 34 H SER 34 13.514 7.575 -14.938 283 HA SER 34 HA SER 34 11.010 7.570 -13.637 284 1HB SER 34 3HB SER 34 13.842 7.646 -12.833 285 2HB SER 34 2HB SER 34 12.723 8.299 -11.639 286 HG SER 34 HG SER 34 13.176 5.912 -11.683 287 H LYS 35 H LYS 35 13.448 10.187 -13.767 288 HA LYS 35 HA LYS 35 11.810 12.044 -12.319 289 1HB LYS 35 3HB LYS 35 14.130 12.522 -14.216 290 2HB LYS 35 2HB LYS 35 13.415 13.750 -13.172 291 1HG LYS 35 2HG LYS 35 14.189 11.241 -11.807 292 2HG LYS 35 1HG LYS 35 15.531 12.194 -12.443 293 1HD LYS 35 2HD LYS 35 13.321 13.380 -10.745 294 2HD LYS 35 1HD LYS 35 14.840 12.785 -10.075 295 1HE LYS 35 2HE LYS 35 15.727 14.371 -12.131 296 2HE LYS 35 1HE LYS 35 14.296 15.251 -11.593 297 1HZ LYS 35 1HZ LYS 35 15.494 14.526 -9.274 298 2HZ LYS 35 2HZ LYS 35 15.619 16.052 -10.010 299 3HZ LYS 35 3HZ LYS 35 16.819 14.877 -10.273 300 H ILE 36 H ILE 36 12.070 10.983 -15.579 301 HA ILE 36 HA ILE 36 10.723 13.169 -16.836 302 HB ILE 36 HB ILE 36 11.383 10.377 -17.562 303 1HG1 ILE 36 2HG1 ILE 36 12.391 11.700 -19.543 304 2HG1 ILE 36 1HG1 ILE 36 12.057 13.132 -18.571 305 1HG2 ILE 36 1HG2 ILE 36 9.415 12.160 -18.982 306 2HG2 ILE 36 2HG2 ILE 36 9.246 10.454 -18.570 307 3HG2 ILE 36 3HG2 ILE 36 10.340 10.945 -19.863 308 1HD1 ILE 36 1HD1 ILE 36 13.308 11.899 -16.674 309 2HD1 ILE 36 2HD1 ILE 36 14.275 12.553 -17.993 310 3HD1 ILE 36 3HD1 ILE 36 13.904 10.831 -17.944 311 H LEU 37 H LEU 37 9.685 9.931 -15.887 312 HA LEU 37 HA LEU 37 6.927 10.156 -16.461 313 1HB LEU 37 3HB LEU 37 8.483 8.624 -14.387 314 2HB LEU 37 2HB LEU 37 6.743 8.474 -14.558 315 HG LEU 37 HG LEU 37 8.813 7.906 -16.683 316 1HD1 LEU 37 1HD1 LEU 37 6.879 5.855 -15.899 317 2HD1 LEU 37 2HD1 LEU 37 7.924 6.371 -14.574 318 3HD1 LEU 37 3HD1 LEU 37 8.631 5.746 -16.065 319 1HD2 LEU 37 1HD2 LEU 37 5.913 8.435 -16.813 320 2HD2 LEU 37 2HD2 LEU 37 6.395 6.921 -17.579 321 3HD2 LEU 37 3HD2 LEU 37 7.112 8.444 -18.105 322 H GLY 38 H GLY 38 8.511 10.416 -13.297 323 1HA GLY 38 2HA GLY 38 6.283 11.403 -11.856 324 2HA GLY 38 1HA GLY 38 7.962 11.670 -11.384 325 H SER 39 H SER 39 8.141 12.937 -14.259 326 HA SER 39 HA SER 39 7.300 15.605 -13.324 327 1HB SER 39 3HB SER 39 8.813 16.448 -15.136 328 2HB SER 39 2HB SER 39 9.661 15.481 -13.933 329 HG SER 39 HG SER 39 10.241 14.791 -15.990 330 H ARG 40 H ARG 40 6.626 13.057 -15.458 331 HA ARG 40 HA ARG 40 5.121 14.692 -17.351 332 1HB ARG 40 3HB ARG 40 5.853 11.838 -16.991 333 2HB ARG 40 2HB ARG 40 4.586 12.274 -18.112 334 1HG ARG 40 2HG ARG 40 7.146 13.790 -18.203 335 2HG ARG 40 1HG ARG 40 7.121 12.163 -18.875 336 1HD ARG 40 2HD ARG 40 6.554 14.079 -20.469 337 2HD ARG 40 1HD ARG 40 5.444 12.715 -20.438 338 HE ARG 40 HE ARG 40 3.917 14.098 -19.069 339 1HH1 ARG 40 1HH2 ARG 40 6.796 15.802 -19.401 340 2HH1 ARG 40 2HH2 ARG 40 6.057 17.312 -19.821 341 1HH2 ARG 40 1HH1 ARG 40 2.869 15.976 -20.100 342 2HH2 ARG 40 2HH1 ARG 40 3.834 17.409 -20.216 343 H TRP 41 H TRP 41 4.853 12.651 -14.593 344 HA TRP 41 HA TRP 41 2.041 12.219 -14.529 345 1HB TRP 41 3HB TRP 41 3.792 11.000 -13.207 346 2HB TRP 41 2HB TRP 41 3.975 12.450 -12.225 347 HD1 TRP 41 HD1 TRP 41 2.457 12.511 -10.177 348 HE1 TRP 41 HE1 TRP 41 0.191 11.421 -9.513 349 HE3 TRP 41 HE3 TRP 41 1.402 10.105 -14.485 350 HZ2 TRP 41 HZ2 TRP 41 -1.806 9.727 -10.731 351 HZ3 TRP 41 HZ3 TRP 41 -0.657 8.756 -14.726 352 HH2 TRP 41 HH2 TRP 41 -2.259 8.584 -12.912 353 H LYS 42 H LYS 42 4.047 14.438 -12.570 354 HA LYS 42 HA LYS 42 1.825 15.856 -11.496 355 1HB LYS 42 3HB LYS 42 4.682 16.771 -11.991 356 2HB LYS 42 2HB LYS 42 3.504 17.665 -11.028 357 1HG LYS 42 2HG LYS 42 3.291 15.223 -9.870 358 2HG LYS 42 1HG LYS 42 4.981 15.174 -10.376 359 1HD LYS 42 2HD LYS 42 5.499 17.171 -9.156 360 2HD LYS 42 1HD LYS 42 3.792 17.506 -8.859 361 1HE LYS 42 2HE LYS 42 5.350 15.140 -7.778 362 2HE LYS 42 1HE LYS 42 4.833 16.548 -6.851 363 1HZ LYS 42 1HZ LYS 42 3.367 14.226 -7.517 364 2HZ LYS 42 2HZ LYS 42 2.585 15.595 -8.151 365 3HZ LYS 42 3HZ LYS 42 2.930 15.504 -6.490 366 H ALA 43 H ALA 43 3.254 15.770 -14.575 367 HA ALA 43 HA ALA 43 2.330 18.378 -15.411 368 1HB ALA 43 1HB ALA 43 3.731 16.126 -16.852 369 2HB ALA 43 2HB ALA 43 4.469 17.607 -16.241 370 3HB ALA 43 3HB ALA 43 3.340 17.676 -17.596 371 H MET 44 H MET 44 0.747 15.526 -14.917 372 HA MET 44 HA MET 44 -0.729 15.413 -17.426 373 1HB MET 44 3HB MET 44 -1.946 13.600 -16.423 374 2HB MET 44 2HB MET 44 -0.257 13.392 -15.993 375 1HG MET 44 2HG MET 44 -0.683 13.646 -13.789 376 2HG MET 44 1HG MET 44 -1.753 15.018 -14.064 377 1HE MET 44 1HE MET 44 -2.924 10.633 -14.804 378 2HE MET 44 2HE MET 44 -1.292 11.289 -14.699 379 3HE MET 44 3HE MET 44 -2.311 11.698 -16.077 380 H THR 45 H THR 45 -3.268 14.933 -15.581 381 HA THR 45 HA THR 45 -3.811 17.804 -15.026 382 HB THR 45 HB THR 45 -6.132 17.099 -16.195 383 HG1 THR 45 HG1 THR 45 -5.834 15.448 -17.429 384 1HG2 THR 45 1HG2 THR 45 -4.338 17.970 -18.258 385 2HG2 THR 45 2HG2 THR 45 -3.879 18.739 -16.739 386 3HG2 THR 45 3HG2 THR 45 -5.518 18.926 -17.361 387 H ASN 46 H ASN 46 -3.616 15.204 -13.458 388 HA ASN 46 HA ASN 46 -4.672 14.355 -11.535 389 1HB ASN 46 3HB ASN 46 -5.575 17.058 -11.811 390 2HB ASN 46 2HB ASN 46 -6.934 16.063 -11.288 391 1HD2 ASN 46 1HD2 ASN 46 -3.405 16.309 -10.524 392 2HD2 ASN 46 2HD2 ASN 46 -3.616 16.158 -8.846 393 H LEU 47 H LEU 47 -7.283 15.647 -13.599 394 HA LEU 47 HA LEU 47 -9.104 13.519 -13.067 395 1HB LEU 47 3HB LEU 47 -9.495 15.847 -14.190 396 2HB LEU 47 2HB LEU 47 -9.094 15.000 -15.685 397 HG LEU 47 HG LEU 47 -10.949 13.438 -14.095 398 1HD1 LEU 47 1HD1 LEU 47 -12.700 15.434 -14.968 399 2HD1 LEU 47 2HD1 LEU 47 -11.392 16.318 -14.181 400 3HD1 LEU 47 3HD1 LEU 47 -12.279 15.079 -13.293 401 1HD2 LEU 47 1HD2 LEU 47 -11.345 12.839 -16.232 402 2HD2 LEU 47 2HD2 LEU 47 -10.416 14.215 -16.827 403 3HD2 LEU 47 3HD2 LEU 47 -12.135 14.396 -16.479 404 H GLU 48 H GLU 48 -6.587 13.888 -15.521 405 HA GLU 48 HA GLU 48 -7.375 11.560 -17.046 406 1HB GLU 48 3HB GLU 48 -5.722 13.574 -17.611 407 2HB GLU 48 2HB GLU 48 -4.522 12.449 -16.977 408 1HG GLU 48 2HG GLU 48 -4.515 11.588 -19.078 409 2HG GLU 48 1HG GLU 48 -6.023 10.812 -18.594 410 H LYS 49 H LYS 49 -5.781 11.996 -14.049 411 HA LYS 49 HA LYS 49 -4.349 9.424 -14.142 412 1HB LYS 49 3HB LYS 49 -3.104 10.751 -12.760 413 2HB LYS 49 2HB LYS 49 -4.470 11.791 -12.372 414 1HG LYS 49 2HG LYS 49 -4.219 9.005 -11.221 415 2HG LYS 49 1HG LYS 49 -3.477 10.405 -10.449 416 1HD LYS 49 2HD LYS 49 -6.178 11.069 -11.147 417 2HD LYS 49 1HD LYS 49 -6.176 9.554 -10.242 418 1HE LYS 49 2HE LYS 49 -6.235 11.143 -8.526 419 2HE LYS 49 1HE LYS 49 -4.508 10.808 -8.658 420 1HZ LYS 49 1HZ LYS 49 -5.383 13.244 -8.671 421 2HZ LYS 49 2HZ LYS 49 -5.674 12.929 -10.315 422 3HZ LYS 49 3HZ LYS 49 -4.103 12.791 -9.686 423 H GLN 50 H GLN 50 -7.512 10.406 -13.591 424 HA GLN 50 HA GLN 50 -8.324 8.810 -11.399 425 1HB GLN 50 3HB GLN 50 -9.571 10.516 -13.185 426 2HB GLN 50 2HB GLN 50 -10.328 8.952 -13.509 427 1HG GLN 50 2HG GLN 50 -10.540 8.699 -10.981 428 2HG GLN 50 1HG GLN 50 -10.136 10.411 -10.879 429 1HE2 GLN 50 1HE2 GLN 50 -12.772 8.430 -10.873 430 2HE2 GLN 50 2HE2 GLN 50 -13.918 9.457 -11.590 431 HA PRO 51 HA PRO 51 -9.358 5.340 -14.511 432 1HB PRO 51 3HB PRO 51 -8.172 5.472 -16.975 433 2HB PRO 51 2HB PRO 51 -9.766 6.126 -16.594 434 1HG PRO 51 2HG PRO 51 -7.201 7.584 -17.012 435 2HG PRO 51 1HG PRO 51 -8.861 8.140 -17.282 436 1HD PRO 51 2HD PRO 51 -7.247 8.782 -15.060 437 2HD PRO 51 1HD PRO 51 -9.002 9.030 -15.166 438 H TYR 52 H TYR 52 -6.145 6.721 -14.446 439 HA TYR 52 HA TYR 52 -4.863 4.084 -14.785 440 1HB TYR 52 3HB TYR 52 -3.486 6.541 -13.710 441 2HB TYR 52 2HB TYR 52 -2.804 5.218 -14.659 442 HD1 TYR 52 HD1 TYR 52 -2.788 8.326 -15.184 443 HD2 TYR 52 HD2 TYR 52 -5.145 5.054 -16.646 444 HE1 TYR 52 HE1 TYR 52 -3.240 9.584 -17.263 445 HE2 TYR 52 HE2 TYR 52 -5.601 6.303 -18.727 446 HH TYR 52 HH TYR 52 -3.866 9.067 -19.631 447 H TYR 53 H TYR 53 -6.625 5.526 -12.436 448 HA TYR 53 HA TYR 53 -4.952 4.802 -10.143 449 1HB TYR 53 3HB TYR 53 -7.177 6.479 -10.612 450 2HB TYR 53 2HB TYR 53 -7.717 5.245 -9.481 451 HD1 TYR 53 HD1 TYR 53 -7.084 8.337 -9.068 452 HD2 TYR 53 HD2 TYR 53 -4.956 4.696 -8.246 453 HE1 TYR 53 HE1 TYR 53 -5.841 9.471 -7.252 454 HE2 TYR 53 HE2 TYR 53 -3.714 5.831 -6.431 455 HH TYR 53 HH TYR 53 -4.644 8.803 -5.147 456 H GLU 54 H GLU 54 -8.088 3.670 -11.428 457 HA GLU 54 HA GLU 54 -8.359 1.463 -9.682 458 1HB GLU 54 3HB GLU 54 -9.855 0.535 -11.445 459 2HB GLU 54 2HB GLU 54 -10.204 2.223 -11.094 460 1HG GLU 54 2HG GLU 54 -10.000 2.572 -13.319 461 2HG GLU 54 1HG GLU 54 -8.265 2.380 -13.068 462 H GLU 55 H GLU 55 -6.513 1.833 -12.659 463 HA GLU 55 HA GLU 55 -5.983 -0.866 -13.208 464 1HB GLU 55 3HB GLU 55 -4.800 1.686 -13.873 465 2HB GLU 55 2HB GLU 55 -3.594 0.409 -13.757 466 1HG GLU 55 2HG GLU 55 -5.887 -0.626 -15.117 467 2HG GLU 55 1HG GLU 55 -5.431 0.897 -15.879 468 H GLN 56 H GLN 56 -4.909 1.089 -10.573 469 HA GLN 56 HA GLN 56 -2.678 -0.704 -9.909 470 1HB GLN 56 3HB GLN 56 -2.115 0.854 -8.313 471 2HB GLN 56 2HB GLN 56 -2.998 1.899 -9.404 472 1HG GLN 56 2HG GLN 56 -4.982 1.733 -8.002 473 2HG GLN 56 1HG GLN 56 -4.203 0.535 -6.976 474 1HE2 GLN 56 1HE2 GLN 56 -3.133 1.353 -5.163 475 2HE2 GLN 56 2HE2 GLN 56 -2.664 2.973 -4.966 476 H ALA 57 H ALA 57 -5.796 0.193 -8.565 477 HA ALA 57 HA ALA 57 -5.879 -1.662 -6.452 478 1HB ALA 57 1HB ALA 57 -7.619 -0.176 -6.265 479 2HB ALA 57 2HB ALA 57 -8.490 -1.497 -7.043 480 3HB ALA 57 3HB ALA 57 -7.908 -0.137 -8.004 481 H ARG 58 H ARG 58 -6.593 -2.099 -9.896 482 HA ARG 58 HA ARG 58 -7.812 -4.703 -9.530 483 1HB ARG 58 3HB ARG 58 -7.088 -4.940 -12.046 484 2HB ARG 58 2HB ARG 58 -8.372 -3.817 -11.608 485 1HG ARG 58 2HG ARG 58 -7.160 -2.027 -12.257 486 2HG ARG 58 1HG ARG 58 -5.717 -2.603 -11.428 487 1HD ARG 58 2HD ARG 58 -6.625 -3.943 -13.959 488 2HD ARG 58 1HD ARG 58 -5.696 -2.449 -14.044 489 HE ARG 58 HE ARG 58 -4.174 -3.980 -12.359 490 1HH1 ARG 58 1HH1 ARG 58 -5.067 -3.888 -15.628 491 2HH1 ARG 58 2HH1 ARG 58 -4.159 -5.291 -16.082 492 1HH2 ARG 58 1HH2 ARG 58 -3.254 -6.080 -12.828 493 2HH2 ARG 58 2HH2 ARG 58 -3.131 -6.533 -14.494 494 H LEU 59 H LEU 59 -4.564 -3.689 -10.565 495 HA LEU 59 HA LEU 59 -3.499 -6.364 -10.570 496 1HB LEU 59 3HB LEU 59 -1.302 -5.191 -10.671 497 2HB LEU 59 2HB LEU 59 -2.440 -4.590 -11.873 498 HG LEU 59 HG LEU 59 -3.071 -2.818 -10.078 499 1HD1 LEU 59 1HD1 LEU 59 -2.007 -3.069 -8.102 500 2HD1 LEU 59 2HD1 LEU 59 -0.521 -2.593 -8.924 501 3HD1 LEU 59 3HD1 LEU 59 -0.937 -4.300 -8.771 502 1HD2 LEU 59 1HD2 LEU 59 -1.852 -1.448 -11.398 503 2HD2 LEU 59 2HD2 LEU 59 -1.195 -2.893 -12.163 504 3HD2 LEU 59 3HD2 LEU 59 -0.338 -2.140 -10.818 505 H SER 60 H SER 60 -4.038 -3.956 -8.122 506 HA SER 60 HA SER 60 -2.166 -5.111 -6.196 507 1HB SER 60 3HB SER 60 -2.520 -2.967 -5.486 508 2HB SER 60 2HB SER 60 -4.091 -2.868 -6.277 509 HG SER 60 HG SER 60 -3.447 -4.135 -3.818 510 H LYS 61 H LYS 61 -5.467 -5.564 -7.176 511 HA LYS 61 HA LYS 61 -6.393 -6.964 -4.837 512 1HB LYS 61 3HB LYS 61 -8.007 -6.098 -6.413 513 2HB LYS 61 2HB LYS 61 -7.281 -7.016 -7.733 514 1HG LYS 61 2HG LYS 61 -8.205 -8.533 -5.329 515 2HG LYS 61 1HG LYS 61 -9.433 -7.922 -6.437 516 1HD LYS 61 2HD LYS 61 -7.593 -8.971 -8.181 517 2HD LYS 61 1HD LYS 61 -7.473 -10.089 -6.821 518 1HE LYS 61 2HE LYS 61 -10.049 -10.147 -6.871 519 2HE LYS 61 1HE LYS 61 -9.912 -9.397 -8.462 520 1HZ LYS 61 1HZ LYS 61 -8.756 -11.226 -9.301 521 2HZ LYS 61 2HZ LYS 61 -10.000 -11.913 -8.373 522 3HZ LYS 61 3HZ LYS 61 -8.416 -11.850 -7.761 523 H GLN 62 H GLN 62 -4.887 -7.979 -7.878 524 HA GLN 62 HA GLN 62 -5.029 -10.805 -7.349 525 1HB GLN 62 3HB GLN 62 -3.402 -9.064 -9.186 526 2HB GLN 62 2HB GLN 62 -2.976 -10.765 -8.995 527 1HG GLN 62 2HG GLN 62 -5.756 -10.775 -9.310 528 2HG GLN 62 1HG GLN 62 -5.185 -9.578 -10.473 529 1HE2 GLN 62 1HE2 GLN 62 -4.693 -12.981 -9.448 530 2HE2 GLN 62 2HE2 GLN 62 -4.096 -13.508 -10.948 531 H HIS 63 H HIS 63 -2.771 -8.252 -6.486 532 HA HIS 63 HA HIS 63 -0.563 -9.790 -5.630 533 1HB HIS 63 3HB HIS 63 -0.349 -7.404 -5.663 534 2HB HIS 63 2HB HIS 63 -1.726 -7.200 -4.583 535 HD1 HIS 63 HD1 HIS 63 0.884 -9.817 -3.923 536 HD2 HIS 63 HD2 HIS 63 -0.155 -6.035 -2.516 537 HE1 HIS 63 HE1 HIS 63 2.222 -9.448 -1.804 538 H LEU 64 H LEU 64 -2.827 -8.336 -3.309 539 HA LEU 64 HA LEU 64 -2.259 -10.025 -1.159 540 1HB LEU 64 3HB LEU 64 -4.670 -8.457 -1.982 541 2HB LEU 64 2HB LEU 64 -4.833 -9.591 -0.645 542 HG LEU 64 HG LEU 64 -2.435 -8.284 -0.110 543 1HD1 LEU 64 1HD1 LEU 64 -3.255 -6.670 -1.956 544 2HD1 LEU 64 2HD1 LEU 64 -2.765 -5.959 -0.417 545 3HD1 LEU 64 3HD1 LEU 64 -4.477 -6.167 -0.788 546 1HD2 LEU 64 1HD2 LEU 64 -3.941 -7.054 1.603 547 2HD2 LEU 64 2HD2 LEU 64 -3.925 -8.817 1.655 548 3HD2 LEU 64 3HD2 LEU 64 -5.268 -7.969 0.888 549 H GLU 65 H GLU 65 -4.381 -10.590 -3.907 550 HA GLU 65 HA GLU 65 -5.594 -12.979 -2.942 551 1HB GLU 65 3HB GLU 65 -5.185 -11.755 -5.645 552 2HB GLU 65 2HB GLU 65 -5.827 -13.394 -5.511 553 1HG GLU 65 2HG GLU 65 -7.306 -12.028 -3.625 554 2HG GLU 65 1HG GLU 65 -7.118 -10.829 -4.904 555 H LYS 66 H LYS 66 -2.414 -12.322 -3.825 556 HA LYS 66 HA LYS 66 -1.893 -15.107 -4.699 557 1HB LYS 66 3HB LYS 66 -0.377 -12.522 -4.849 558 2HB LYS 66 2HB LYS 66 0.483 -14.052 -4.990 559 1HG LYS 66 2HG LYS 66 -1.861 -14.205 -6.619 560 2HG LYS 66 1HG LYS 66 -1.027 -12.698 -6.998 561 1HD LYS 66 2HD LYS 66 1.122 -14.183 -7.030 562 2HD LYS 66 1HD LYS 66 -0.012 -15.521 -7.221 563 1HE LYS 66 2HE LYS 66 0.456 -14.915 -9.443 564 2HE LYS 66 1HE LYS 66 -1.053 -14.063 -9.111 565 1HZ LYS 66 1HZ LYS 66 1.694 -12.945 -9.051 566 2HZ LYS 66 2HZ LYS 66 0.330 -12.116 -8.469 567 3HZ LYS 66 3HZ LYS 66 0.437 -12.533 -10.114 568 H TYR 67 H TYR 67 -1.082 -12.856 -2.076 569 HA TYR 67 HA TYR 67 0.396 -15.103 -0.795 570 1HB TYR 67 3HB TYR 67 0.886 -12.218 -0.921 571 2HB TYR 67 2HB TYR 67 1.047 -12.894 0.700 572 HD1 TYR 67 HD1 TYR 67 2.322 -12.988 -2.762 573 HD2 TYR 67 HD2 TYR 67 2.744 -14.566 1.214 574 HE1 TYR 67 HE1 TYR 67 4.513 -13.971 -3.384 575 HE2 TYR 67 HE2 TYR 67 4.935 -15.548 0.592 576 HH TYR 67 HH TYR 67 6.680 -15.264 -1.036 577 HA PRO 68 HA PRO 68 -2.147 -13.575 2.891 578 1HB PRO 68 3HB PRO 68 -3.703 -11.336 2.605 579 2HB PRO 68 2HB PRO 68 -2.027 -11.301 3.160 580 1HG PRO 68 2HG PRO 68 -3.133 -10.554 0.491 581 2HG PRO 68 1HG PRO 68 -1.705 -9.923 1.331 582 1HD PRO 68 2HD PRO 68 -1.644 -11.782 -0.761 583 2HD PRO 68 1HD PRO 68 -0.325 -11.489 0.390 584 H ASP 69 H ASP 69 -4.208 -12.159 0.397 585 HA ASP 69 HA ASP 69 -6.474 -13.746 1.182 586 1HB ASP 69 3HB ASP 69 -6.337 -11.368 0.009 587 2HB ASP 69 2HB ASP 69 -6.403 -12.344 -1.454 588 H TYR 70 H TYR 70 -4.847 -15.688 0.808 589 HA TYR 70 HA TYR 70 -4.289 -16.619 -1.794 590 1HB TYR 70 3HB TYR 70 -3.879 -18.754 -0.787 591 2HB TYR 70 2HB TYR 70 -3.420 -17.547 0.414 592 HD1 TYR 70 HD1 TYR 70 -6.114 -19.900 -0.605 593 HD2 TYR 70 HD2 TYR 70 -4.580 -17.352 2.495 594 HE1 TYR 70 HE1 TYR 70 -7.744 -20.863 0.996 595 HE2 TYR 70 HE2 TYR 70 -6.211 -18.315 4.094 596 HH TYR 70 HH TYR 70 -8.858 -19.847 3.319 Start of MODEL 16 1 HA PRO 1 HA PRO 1 8.540 -10.467 -15.269 2 1HB PRO 1 3HB PRO 1 7.789 -10.243 -18.026 3 2HB PRO 1 2HB PRO 1 9.362 -9.897 -17.292 4 1HG PRO 1 2HG PRO 1 8.718 -12.067 -18.998 5 2HG PRO 1 1HG PRO 1 10.217 -11.797 -18.112 6 1HD PRO 1 2HD PRO 1 8.126 -13.717 -17.558 7 2HD PRO 1 1HD PRO 1 9.744 -13.596 -16.857 8 H HIS 2 H HIS 2 6.259 -12.133 -14.644 9 HA HIS 2 HA HIS 2 4.038 -10.485 -15.781 10 1HB HIS 2 3HB HIS 2 2.567 -12.404 -15.078 11 2HB HIS 2 2HB HIS 2 3.738 -12.834 -16.325 12 HD1 HIS 2 HD1 HIS 2 3.707 -12.783 -12.499 13 HD2 HIS 2 HD2 HIS 2 5.061 -15.152 -15.651 14 HE1 HIS 2 HE1 HIS 2 4.807 -14.811 -11.451 15 H ILE 3 H ILE 3 5.440 -9.304 -13.784 16 HA ILE 3 HA ILE 3 3.963 -9.878 -11.259 17 HB ILE 3 HB ILE 3 5.753 -8.186 -10.387 18 1HG1 ILE 3 2HG1 ILE 3 7.088 -9.162 -12.918 19 2HG1 ILE 3 1HG1 ILE 3 6.405 -7.549 -12.739 20 1HG2 ILE 3 1HG2 ILE 3 6.348 -10.181 -9.510 21 2HG2 ILE 3 2HG2 ILE 3 7.437 -10.352 -10.887 22 3HG2 ILE 3 3HG2 ILE 3 5.816 -11.045 -10.953 23 1HD1 ILE 3 1HD1 ILE 3 7.913 -7.624 -10.507 24 2HD1 ILE 3 2HD1 ILE 3 8.539 -7.058 -12.054 25 3HD1 ILE 3 3HD1 ILE 3 8.859 -8.709 -11.524 26 H LYS 4 H LYS 4 2.080 -8.757 -12.467 27 HA LYS 4 HA LYS 4 2.274 -5.867 -12.793 28 1HB LYS 4 3HB LYS 4 -0.066 -7.793 -12.789 29 2HB LYS 4 2HB LYS 4 -0.219 -6.069 -13.106 30 1HG LYS 4 2HG LYS 4 1.501 -7.999 -14.687 31 2HG LYS 4 1HG LYS 4 -0.044 -7.330 -15.218 32 1HD LYS 4 2HD LYS 4 1.005 -5.020 -14.873 33 2HD LYS 4 1HD LYS 4 2.553 -5.856 -14.743 34 1HE LYS 4 2HE LYS 4 2.050 -6.937 -16.974 35 2HE LYS 4 1HE LYS 4 0.662 -5.859 -17.110 36 1HZ LYS 4 1HZ LYS 4 3.285 -5.304 -17.781 37 2HZ LYS 4 2HZ LYS 4 2.971 -4.402 -16.376 38 3HZ LYS 4 3HZ LYS 4 1.982 -4.219 -17.745 39 H ARG 5 H ARG 5 3.039 -5.335 -10.613 40 HA ARG 5 HA ARG 5 1.242 -5.899 -8.361 41 1HB ARG 5 3HB ARG 5 2.938 -4.616 -7.048 42 2HB ARG 5 2HB ARG 5 3.636 -5.957 -7.957 43 1HG ARG 5 2HG ARG 5 3.670 -3.788 -9.735 44 2HG ARG 5 1HG ARG 5 4.182 -3.116 -8.187 45 1HD ARG 5 2HD ARG 5 5.362 -5.576 -9.508 46 2HD ARG 5 1HD ARG 5 6.114 -3.982 -9.460 47 HE ARG 5 HE ARG 5 5.440 -5.199 -6.851 48 1HH1 ARG 5 1HH2 ARG 5 7.593 -3.293 -8.512 49 2HH1 ARG 5 2HH2 ARG 5 9.027 -3.976 -7.823 50 1HH2 ARG 5 1HH1 ARG 5 7.355 -6.597 -6.284 51 2HH2 ARG 5 2HH1 ARG 5 8.892 -5.850 -6.560 52 HA PRO 6 HA PRO 6 -0.951 -2.055 -8.856 53 1HB PRO 6 3HB PRO 6 -2.486 -2.339 -6.595 54 2HB PRO 6 2HB PRO 6 -2.816 -3.201 -8.109 55 1HG PRO 6 2HG PRO 6 -1.667 -4.247 -5.569 56 2HG PRO 6 1HG PRO 6 -2.542 -5.110 -6.843 57 1HD PRO 6 2HD PRO 6 0.271 -5.109 -6.455 58 2HD PRO 6 1HD PRO 6 -0.592 -5.720 -7.874 59 H MET 7 H MET 7 0.983 -0.769 -8.367 60 HA MET 7 HA MET 7 1.493 -0.149 -5.545 61 1HB MET 7 3HB MET 7 2.870 0.786 -8.031 62 2HB MET 7 2HB MET 7 3.447 0.995 -6.394 63 1HG MET 7 2HG MET 7 3.644 -1.424 -6.119 64 2HG MET 7 1HG MET 7 2.973 -1.679 -7.728 65 1HE MET 7 1HE MET 7 5.502 -0.480 -10.186 66 2HE MET 7 2HE MET 7 3.821 -0.282 -9.696 67 3HE MET 7 3HE MET 7 4.498 -1.901 -9.865 68 H ASN 8 H ASN 8 0.687 1.452 -8.614 69 HA ASN 8 HA ASN 8 -1.101 3.301 -7.384 70 1HB ASN 8 3HB ASN 8 0.959 4.075 -6.379 71 2HB ASN 8 2HB ASN 8 1.640 4.313 -7.968 72 1HD2 ASN 8 1HD2 ASN 8 -0.553 5.656 -5.585 73 2HD2 ASN 8 2HD2 ASN 8 -0.915 7.080 -6.432 74 H ALA 9 H ALA 9 -1.628 5.119 -8.848 75 HA ALA 9 HA ALA 9 -2.023 4.215 -11.552 76 1HB ALA 9 1HB ALA 9 -3.677 5.706 -10.920 77 2HB ALA 9 2HB ALA 9 -2.588 6.813 -11.752 78 3HB ALA 9 3HB ALA 9 -2.560 6.707 -9.996 79 H PHE 10 H PHE 10 0.398 6.038 -9.935 80 HA PHE 10 HA PHE 10 1.550 7.414 -12.128 81 1HB PHE 10 3HB PHE 10 1.907 7.841 -9.737 82 2HB PHE 10 2HB PHE 10 2.856 6.366 -9.640 83 HD1 PHE 10 HD1 PHE 10 4.792 6.152 -11.410 84 HD2 PHE 10 HD2 PHE 10 2.984 9.850 -10.202 85 HE1 PHE 10 HE1 PHE 10 6.794 7.382 -12.192 86 HE2 PHE 10 HE2 PHE 10 4.982 11.085 -10.984 87 HZ PHE 10 HZ PHE 10 6.890 9.843 -11.978 88 H MET 11 H MET 11 2.867 4.540 -10.462 89 HA MET 11 HA MET 11 4.714 3.964 -12.577 90 1HB MET 11 3HB MET 11 3.518 1.966 -10.628 91 2HB MET 11 2HB MET 11 5.062 1.838 -11.470 92 1HG MET 11 2HG MET 11 5.037 4.330 -10.080 93 2HG MET 11 1HG MET 11 4.524 3.078 -8.949 94 1HE MET 11 1HE MET 11 6.459 4.140 -7.832 95 2HE MET 11 2HE MET 11 8.085 3.464 -7.879 96 3HE MET 11 3HE MET 11 6.738 2.465 -7.341 97 H VAL 12 H VAL 12 1.346 3.634 -12.231 98 HA VAL 12 HA VAL 12 1.071 1.446 -14.141 99 HB VAL 12 HB VAL 12 -0.806 3.259 -12.633 100 1HG1 VAL 12 1HG1 VAL 12 -2.565 1.671 -13.886 101 2HG1 VAL 12 2HG1 VAL 12 -1.350 1.785 -15.158 102 3HG1 VAL 12 3HG1 VAL 12 -2.100 3.248 -14.521 103 1HG2 VAL 12 1HG2 VAL 12 -1.516 1.259 -11.597 104 2HG2 VAL 12 2HG2 VAL 12 0.229 1.062 -11.759 105 3HG2 VAL 12 3HG2 VAL 12 -0.859 0.257 -12.890 106 H TRP 13 H TRP 13 0.482 4.913 -13.968 107 HA TRP 13 HA TRP 13 -0.178 5.021 -16.836 108 1HB TRP 13 3HB TRP 13 -1.306 6.711 -15.810 109 2HB TRP 13 2HB TRP 13 -0.138 6.825 -14.506 110 HD1 TRP 13 HD1 TRP 13 -1.276 8.512 -17.538 111 HE1 TRP 13 HE1 TRP 13 0.273 10.462 -18.080 112 HE3 TRP 13 HE3 TRP 13 2.659 7.513 -14.433 113 HZ2 TRP 13 HZ2 TRP 13 2.836 11.478 -17.392 114 HZ3 TRP 13 HZ3 TRP 13 4.643 8.978 -14.410 115 HH2 TRP 13 HH2 TRP 13 4.733 10.969 -15.879 116 H ALA 14 H ALA 14 2.542 5.687 -14.761 117 HA ALA 14 HA ALA 14 4.202 6.912 -16.769 118 1HB ALA 14 1HB ALA 14 4.347 6.979 -14.161 119 2HB ALA 14 2HB ALA 14 5.831 6.996 -15.109 120 3HB ALA 14 3HB ALA 14 5.280 5.498 -14.356 121 H LYS 15 H LYS 15 3.496 3.591 -15.899 122 HA LYS 15 HA LYS 15 5.860 2.470 -17.054 123 1HB LYS 15 3HB LYS 15 4.550 0.338 -17.120 124 2HB LYS 15 2HB LYS 15 4.505 1.117 -15.538 125 1HG LYS 15 2HG LYS 15 2.280 1.565 -15.682 126 2HG LYS 15 1HG LYS 15 2.370 1.961 -17.399 127 1HD LYS 15 2HD LYS 15 2.926 -0.854 -16.958 128 2HD LYS 15 1HD LYS 15 1.362 -0.408 -16.275 129 1HE LYS 15 2HE LYS 15 0.441 -0.213 -18.322 130 2HE LYS 15 1HE LYS 15 1.750 0.832 -18.872 131 1HZ LYS 15 1HZ LYS 15 2.718 -0.852 -19.917 132 2HZ LYS 15 2HZ LYS 15 1.295 -1.744 -19.659 133 3HZ LYS 15 3HZ LYS 15 2.595 -1.876 -18.571 134 H ASP 16 H ASP 16 2.889 3.694 -18.283 135 HA ASP 16 HA ASP 16 3.454 2.608 -20.977 136 1HB ASP 16 3HB ASP 16 1.072 2.890 -19.729 137 2HB ASP 16 2HB ASP 16 1.170 4.465 -20.515 138 H GLU 17 H GLU 17 3.346 5.507 -19.066 139 HA GLU 17 HA GLU 17 3.806 7.402 -21.175 140 1HB GLU 17 3HB GLU 17 3.440 7.359 -18.343 141 2HB GLU 17 2HB GLU 17 4.894 8.287 -18.690 142 1HG GLU 17 2HG GLU 17 2.877 8.948 -20.611 143 2HG GLU 17 1HG GLU 17 2.187 9.071 -18.998 144 H ARG 18 H ARG 18 5.867 5.531 -18.999 145 HA ARG 18 HA ARG 18 8.334 6.746 -20.004 146 1HB ARG 18 3HB ARG 18 9.481 5.303 -18.522 147 2HB ARG 18 2HB ARG 18 7.976 5.651 -17.684 148 1HG ARG 18 2HG ARG 18 7.979 3.368 -17.459 149 2HG ARG 18 1HG ARG 18 7.174 3.479 -19.019 150 1HD ARG 18 2HD ARG 18 9.079 2.836 -20.201 151 2HD ARG 18 1HD ARG 18 10.169 3.369 -18.923 152 HE ARG 18 HE ARG 18 8.722 1.291 -17.772 153 1HH1 ARG 18 1HH1 ARG 18 11.469 1.819 -19.603 154 2HH1 ARG 18 2HH1 ARG 18 11.685 0.171 -20.091 155 1HH2 ARG 18 1HH2 ARG 18 8.634 -0.878 -18.810 156 2HH2 ARG 18 2HH2 ARG 18 10.077 -1.359 -19.639 157 H ARG 19 H ARG 19 6.388 3.902 -20.569 158 HA ARG 19 HA ARG 19 8.206 2.639 -22.411 159 1HB ARG 19 3HB ARG 19 5.392 2.314 -21.538 160 2HB ARG 19 2HB ARG 19 5.730 1.785 -23.179 161 1HG ARG 19 2HG ARG 19 7.865 0.882 -21.510 162 2HG ARG 19 1HG ARG 19 6.343 0.438 -20.737 163 1HD ARG 19 2HD ARG 19 5.667 -0.339 -23.158 164 2HD ARG 19 1HD ARG 19 7.411 -0.385 -23.420 165 HE ARG 19 HE ARG 19 6.915 -1.756 -21.002 166 1HH1 ARG 19 1HH2 ARG 19 7.741 -2.400 -24.101 167 2HH1 ARG 19 2HH2 ARG 19 6.943 -3.932 -24.225 168 1HH2 ARG 19 1HH1 ARG 19 5.195 -3.562 -21.253 169 2HH2 ARG 19 2HH1 ARG 19 5.501 -4.590 -22.612 170 H LYS 20 H LYS 20 5.570 4.948 -22.575 171 HA LYS 20 HA LYS 20 5.527 5.140 -25.434 172 1HB LYS 20 3HB LYS 20 4.315 6.630 -23.159 173 2HB LYS 20 2HB LYS 20 4.380 7.440 -24.727 174 1HG LYS 20 2HG LYS 20 3.349 5.368 -25.734 175 2HG LYS 20 1HG LYS 20 3.087 4.777 -24.094 176 1HD LYS 20 2HD LYS 20 1.376 6.223 -23.708 177 2HD LYS 20 1HD LYS 20 2.177 7.545 -24.560 178 1HE LYS 20 2HE LYS 20 1.541 5.570 -26.503 179 2HE LYS 20 1HE LYS 20 0.099 5.805 -25.515 180 1HZ LYS 20 1HZ LYS 20 0.296 8.192 -25.874 181 2HZ LYS 20 2HZ LYS 20 0.153 7.364 -27.350 182 3HZ LYS 20 3HZ LYS 20 1.665 7.950 -26.845 183 H ILE 21 H ILE 21 7.445 6.539 -22.949 184 HA ILE 21 HA ILE 21 8.497 8.578 -24.815 185 HB ILE 21 HB ILE 21 8.153 8.434 -21.955 186 1HG1 ILE 21 2HG1 ILE 21 9.188 10.915 -22.534 187 2HG1 ILE 21 1HG1 ILE 21 8.552 10.407 -24.098 188 1HG2 ILE 21 1HG2 ILE 21 10.498 7.729 -21.859 189 2HG2 ILE 21 2HG2 ILE 21 10.332 9.382 -21.267 190 3HG2 ILE 21 3HG2 ILE 21 10.963 9.084 -22.886 191 1HD1 ILE 21 1HD1 ILE 21 7.079 11.440 -21.931 192 2HD1 ILE 21 2HD1 ILE 21 6.697 9.718 -21.985 193 3HD1 ILE 21 3HD1 ILE 21 6.433 10.727 -23.408 194 H LEU 22 H LEU 22 9.543 5.818 -22.909 195 HA LEU 22 HA LEU 22 12.276 5.766 -23.443 196 1HB LEU 22 3HB LEU 22 10.782 4.138 -22.138 197 2HB LEU 22 2HB LEU 22 10.508 3.343 -23.682 198 HG LEU 22 HG LEU 22 13.082 3.366 -23.901 199 1HD1 LEU 22 1HD1 LEU 22 14.347 3.828 -22.051 200 2HD1 LEU 22 2HD1 LEU 22 13.115 3.234 -20.936 201 3HD1 LEU 22 3HD1 LEU 22 12.965 4.843 -21.644 202 1HD2 LEU 22 1HD2 LEU 22 11.474 1.679 -21.997 203 2HD2 LEU 22 2HD2 LEU 22 13.140 1.289 -22.422 204 3HD2 LEU 22 3HD2 LEU 22 11.895 1.327 -23.672 205 H GLN 23 H GLN 23 9.564 5.019 -25.475 206 HA GLN 23 HA GLN 23 10.984 3.794 -27.627 207 1HB GLN 23 3HB GLN 23 9.008 4.253 -28.934 208 2HB GLN 23 2HB GLN 23 8.490 3.774 -27.323 209 1HG GLN 23 2HG GLN 23 8.427 6.184 -26.713 210 2HG GLN 23 1HG GLN 23 8.732 6.571 -28.402 211 1HE2 GLN 23 1HE2 GLN 23 6.749 7.251 -29.270 212 2HE2 GLN 23 2HE2 GLN 23 5.275 6.436 -29.064 213 H ALA 24 H ALA 24 10.089 6.975 -26.744 214 HA ALA 24 HA ALA 24 11.363 8.263 -29.022 215 1HB ALA 24 1HB ALA 24 10.278 10.156 -28.327 216 2HB ALA 24 2HB ALA 24 10.661 9.861 -26.630 217 3HB ALA 24 3HB ALA 24 9.321 9.005 -27.394 218 H PHE 25 H PHE 25 12.251 7.116 -25.936 219 HA PHE 25 HA PHE 25 14.955 8.203 -26.263 220 1HB PHE 25 3HB PHE 25 13.371 8.574 -23.702 221 2HB PHE 25 2HB PHE 25 15.050 9.047 -23.968 222 HD1 PHE 25 HD1 PHE 25 11.541 9.851 -24.652 223 HD2 PHE 25 HD2 PHE 25 15.619 10.902 -25.490 224 HE1 PHE 25 HE1 PHE 25 10.788 12.014 -25.602 225 HE2 PHE 25 HE2 PHE 25 14.866 13.068 -26.440 226 HZ PHE 25 HZ PHE 25 12.451 13.622 -26.496 227 HA PRO 26 HA PRO 26 14.551 3.775 -24.964 228 1HB PRO 26 3HB PRO 26 16.267 2.888 -26.922 229 2HB PRO 26 2HB PRO 26 14.513 3.020 -27.125 230 1HG PRO 26 2HG PRO 26 16.667 4.850 -28.134 231 2HG PRO 26 1HG PRO 26 15.109 4.436 -28.873 232 1HD PRO 26 2HD PRO 26 15.574 6.815 -27.511 233 2HD PRO 26 1HD PRO 26 13.975 6.084 -27.710 234 H ASP 27 H ASP 27 16.843 6.196 -24.953 235 HA ASP 27 HA ASP 27 18.950 4.465 -23.774 236 1HB ASP 27 3HB ASP 27 18.988 6.843 -25.384 237 2HB ASP 27 2HB ASP 27 19.834 7.121 -23.867 238 H MET 28 H MET 28 16.697 7.042 -23.210 239 HA MET 28 HA MET 28 17.561 7.857 -20.618 240 1HB MET 28 3HB MET 28 15.704 8.837 -22.260 241 2HB MET 28 2HB MET 28 14.679 7.829 -21.246 242 1HG MET 28 2HG MET 28 15.312 8.955 -19.269 243 2HG MET 28 1HG MET 28 16.690 9.721 -20.057 244 1HE MET 28 1HE MET 28 14.971 10.645 -22.995 245 2HE MET 28 2HE MET 28 16.490 10.898 -22.141 246 3HE MET 28 3HE MET 28 15.390 12.253 -22.387 247 H HIS 29 H HIS 29 18.072 5.984 -19.523 248 HA HIS 29 HA HIS 29 16.226 3.793 -19.326 249 1HB HIS 29 3HB HIS 29 17.844 2.779 -17.946 250 2HB HIS 29 2HB HIS 29 18.764 3.763 -19.083 251 HD1 HIS 29 HD1 HIS 29 19.250 2.959 -15.844 252 HD2 HIS 29 HD2 HIS 29 18.525 6.664 -17.595 253 HE1 HIS 29 HE1 HIS 29 20.122 4.696 -14.222 254 H ASN 30 H ASN 30 15.309 3.019 -17.267 255 HA ASN 30 HA ASN 30 13.368 4.497 -16.133 256 1HB ASN 30 3HB ASN 30 14.048 2.095 -15.575 257 2HB ASN 30 2HB ASN 30 15.100 2.794 -14.343 258 1HD2 ASN 30 1HD2 ASN 30 13.588 1.595 -12.798 259 2HD2 ASN 30 2HD2 ASN 30 12.143 2.359 -12.343 260 H SER 31 H SER 31 16.350 4.193 -14.180 261 HA SER 31 HA SER 31 15.990 6.101 -12.300 262 1HB SER 31 3HB SER 31 18.573 6.371 -13.681 263 2HB SER 31 2HB SER 31 18.239 6.140 -11.975 264 HG SER 31 HG SER 31 18.527 4.092 -12.293 265 H ASN 32 H ASN 32 16.510 6.837 -15.707 266 HA ASN 32 HA ASN 32 16.552 9.727 -15.073 267 1HB ASN 32 3HB ASN 32 17.376 8.081 -17.337 268 2HB ASN 32 2HB ASN 32 16.609 9.598 -17.789 269 1HD2 ASN 32 1HD2 ASN 32 19.586 8.594 -17.697 270 2HD2 ASN 32 2HD2 ASN 32 20.391 9.865 -16.911 271 H ILE 33 H ILE 33 14.712 7.468 -17.129 272 HA ILE 33 HA ILE 33 12.669 9.264 -17.895 273 HB ILE 33 HB ILE 33 12.562 6.289 -17.347 274 1HG1 ILE 33 2HG1 ILE 33 14.009 7.228 -19.226 275 2HG1 ILE 33 1HG1 ILE 33 12.782 6.063 -19.725 276 1HG2 ILE 33 1HG2 ILE 33 10.304 6.605 -17.330 277 2HG2 ILE 33 2HG2 ILE 33 10.496 6.816 -19.070 278 3HG2 ILE 33 3HG2 ILE 33 10.433 8.226 -18.013 279 1HD1 ILE 33 1HD1 ILE 33 12.668 9.077 -19.964 280 2HD1 ILE 33 2HD1 ILE 33 11.257 8.045 -20.184 281 3HD1 ILE 33 3HD1 ILE 33 12.637 7.890 -21.268 282 H SER 34 H SER 34 13.394 7.780 -14.880 283 HA SER 34 HA SER 34 10.913 7.814 -13.541 284 1HB SER 34 3HB SER 34 13.750 7.854 -12.801 285 2HB SER 34 2HB SER 34 12.710 8.649 -11.624 286 HG SER 34 HG SER 34 11.358 6.617 -12.041 287 H LYS 35 H LYS 35 13.352 10.431 -13.782 288 HA LYS 35 HA LYS 35 11.671 12.306 -12.399 289 1HB LYS 35 3HB LYS 35 13.351 13.910 -12.815 290 2HB LYS 35 2HB LYS 35 14.241 12.393 -12.705 291 1HG LYS 35 2HG LYS 35 14.384 12.219 -15.108 292 2HG LYS 35 1HG LYS 35 13.288 13.585 -15.320 293 1HD LYS 35 2HD LYS 35 14.891 15.109 -14.341 294 2HD LYS 35 1HD LYS 35 15.959 13.774 -13.906 295 1HE LYS 35 2HE LYS 35 16.287 13.246 -16.289 296 2HE LYS 35 1HE LYS 35 15.198 14.560 -16.736 297 1HZ LYS 35 1HZ LYS 35 17.107 15.593 -14.986 298 2HZ LYS 35 2HZ LYS 35 16.902 15.945 -16.635 299 3HZ LYS 35 3HZ LYS 35 17.942 14.689 -16.153 300 H ILE 36 H ILE 36 11.945 11.133 -15.605 301 HA ILE 36 HA ILE 36 10.630 13.322 -16.917 302 HB ILE 36 HB ILE 36 11.333 10.533 -17.621 303 1HG1 ILE 36 2HG1 ILE 36 12.584 11.601 -19.385 304 2HG1 ILE 36 1HG1 ILE 36 11.756 13.133 -19.102 305 1HG2 ILE 36 1HG2 ILE 36 9.087 10.668 -18.512 306 2HG2 ILE 36 2HG2 ILE 36 10.213 10.874 -19.854 307 3HG2 ILE 36 3HG2 ILE 36 9.400 12.278 -19.161 308 1HD1 ILE 36 1HD1 ILE 36 14.155 12.711 -18.077 309 2HD1 ILE 36 2HD1 ILE 36 13.243 11.855 -16.834 310 3HD1 ILE 36 3HD1 ILE 36 12.926 13.563 -17.143 311 H LEU 37 H LEU 37 9.631 10.111 -15.838 312 HA LEU 37 HA LEU 37 6.843 10.368 -16.361 313 1HB LEU 37 3HB LEU 37 8.366 8.804 -14.275 314 2HB LEU 37 2HB LEU 37 6.644 8.641 -14.570 315 HG LEU 37 HG LEU 37 8.758 8.257 -16.693 316 1HD1 LEU 37 1HD1 LEU 37 9.040 6.144 -15.979 317 2HD1 LEU 37 2HD1 LEU 37 7.299 5.895 -15.833 318 3HD1 LEU 37 3HD1 LEU 37 8.201 6.621 -14.504 319 1HD2 LEU 37 1HD2 LEU 37 5.993 8.676 -16.888 320 2HD2 LEU 37 2HD2 LEU 37 6.178 6.927 -17.029 321 3HD2 LEU 37 3HD2 LEU 37 7.032 7.996 -18.141 322 H GLY 38 H GLY 38 8.674 10.743 -13.333 323 1HA GLY 38 2HA GLY 38 6.516 11.712 -11.755 324 2HA GLY 38 1HA GLY 38 8.218 12.022 -11.412 325 H SER 39 H SER 39 8.137 13.135 -14.359 326 HA SER 39 HA SER 39 7.337 15.846 -13.516 327 1HB SER 39 3HB SER 39 9.308 14.808 -15.545 328 2HB SER 39 2HB SER 39 8.700 16.457 -15.644 329 HG SER 39 HG SER 39 9.930 16.965 -14.022 330 H ARG 40 H ARG 40 6.595 13.179 -15.483 331 HA ARG 40 HA ARG 40 4.979 14.732 -17.376 332 1HB ARG 40 3HB ARG 40 5.833 11.916 -17.007 333 2HB ARG 40 2HB ARG 40 4.424 12.240 -17.990 334 1HG ARG 40 2HG ARG 40 6.492 14.104 -18.676 335 2HG ARG 40 1HG ARG 40 7.156 12.471 -18.730 336 1HD ARG 40 2HD ARG 40 5.487 11.748 -20.270 337 2HD ARG 40 1HD ARG 40 4.545 13.221 -20.054 338 HE ARG 40 HE ARG 40 7.243 13.209 -21.353 339 1HH1 ARG 40 1HH2 ARG 40 4.570 15.064 -20.476 340 2HH1 ARG 40 2HH2 ARG 40 4.392 15.842 -22.014 341 1HH2 ARG 40 1HH1 ARG 40 6.773 13.875 -23.586 342 2HH2 ARG 40 2HH1 ARG 40 5.639 15.170 -23.771 343 H TRP 41 H TRP 41 4.869 12.720 -14.582 344 HA TRP 41 HA TRP 41 2.063 12.315 -14.324 345 1HB TRP 41 3HB TRP 41 3.928 11.121 -13.109 346 2HB TRP 41 2HB TRP 41 4.129 12.574 -12.141 347 HD1 TRP 41 HD1 TRP 41 2.709 12.639 -10.030 348 HE1 TRP 41 HE1 TRP 41 0.545 11.453 -9.211 349 HE3 TRP 41 HE3 TRP 41 1.530 10.087 -14.215 350 HZ2 TRP 41 HZ2 TRP 41 -1.438 9.620 -10.282 351 HZ3 TRP 41 HZ3 TRP 41 -0.470 8.645 -14.312 352 HH2 TRP 41 HH2 TRP 41 -1.947 8.427 -12.415 353 H LYS 42 H LYS 42 4.206 14.526 -12.494 354 HA LYS 42 HA LYS 42 2.106 15.993 -11.292 355 1HB LYS 42 3HB LYS 42 4.914 16.152 -11.347 356 2HB LYS 42 2HB LYS 42 4.362 17.699 -11.992 357 1HG LYS 42 2HG LYS 42 2.874 17.978 -10.042 358 2HG LYS 42 1HG LYS 42 3.446 16.439 -9.399 359 1HD LYS 42 2HD LYS 42 5.821 17.667 -9.813 360 2HD LYS 42 1HD LYS 42 4.809 19.075 -9.491 361 1HE LYS 42 2HE LYS 42 4.081 17.110 -7.583 362 2HE LYS 42 1HE LYS 42 5.844 17.144 -7.622 363 1HZ LYS 42 1HZ LYS 42 4.021 19.445 -7.200 364 2HZ LYS 42 2HZ LYS 42 5.697 19.594 -7.435 365 3HZ LYS 42 3HZ LYS 42 5.097 18.772 -6.075 366 H ALA 43 H ALA 43 3.351 15.874 -14.461 367 HA ALA 43 HA ALA 43 2.201 18.387 -15.299 368 1HB ALA 43 1HB ALA 43 3.593 16.205 -16.854 369 2HB ALA 43 2HB ALA 43 4.361 17.652 -16.199 370 3HB ALA 43 3HB ALA 43 3.167 17.795 -17.489 371 H MET 44 H MET 44 0.506 15.925 -14.412 372 HA MET 44 HA MET 44 -0.947 15.475 -16.938 373 1HB MET 44 3HB MET 44 -2.129 13.713 -15.721 374 2HB MET 44 2HB MET 44 -0.398 13.490 -15.556 375 1HG MET 44 2HG MET 44 -0.479 13.781 -13.314 376 2HG MET 44 1HG MET 44 -1.560 15.164 -13.443 377 1HE MET 44 1HE MET 44 -3.134 11.623 -15.132 378 2HE MET 44 2HE MET 44 -2.382 10.781 -13.779 379 3HE MET 44 3HE MET 44 -1.409 11.836 -14.802 380 H THR 45 H THR 45 -3.278 15.060 -14.694 381 HA THR 45 HA THR 45 -3.905 17.954 -14.480 382 HB THR 45 HB THR 45 -6.326 16.819 -15.133 383 HG1 THR 45 HG1 THR 45 -5.255 15.968 -17.320 384 1HG2 THR 45 1HG2 THR 45 -5.466 17.874 -17.490 385 2HG2 THR 45 2HG2 THR 45 -4.271 18.545 -16.381 386 3HG2 THR 45 3HG2 THR 45 -5.987 18.855 -16.120 387 H ASN 46 H ASN 46 -3.388 15.411 -12.703 388 HA ASN 46 HA ASN 46 -4.079 14.783 -10.553 389 1HB ASN 46 3HB ASN 46 -4.336 16.804 -9.539 390 2HB ASN 46 2HB ASN 46 -5.132 17.502 -10.945 391 1HD2 ASN 46 1HD2 ASN 46 -7.460 17.487 -10.999 392 2HD2 ASN 46 2HD2 ASN 46 -8.402 16.987 -9.678 393 H LEU 47 H LEU 47 -6.960 16.035 -12.250 394 HA LEU 47 HA LEU 47 -8.628 13.864 -11.303 395 1HB LEU 47 3HB LEU 47 -9.216 16.311 -12.204 396 2HB LEU 47 2HB LEU 47 -9.406 15.421 -13.717 397 HG LEU 47 HG LEU 47 -10.704 13.734 -12.081 398 1HD1 LEU 47 1HD1 LEU 47 -11.642 16.320 -10.932 399 2HD1 LEU 47 2HD1 LEU 47 -10.154 15.635 -10.280 400 3HD1 LEU 47 3HD1 LEU 47 -11.651 14.705 -10.225 401 1HD2 LEU 47 1HD2 LEU 47 -12.610 14.452 -13.163 402 2HD2 LEU 47 2HD2 LEU 47 -11.400 15.272 -14.153 403 3HD2 LEU 47 3HD2 LEU 47 -12.253 16.156 -12.886 404 H GLU 48 H GLU 48 -6.246 14.007 -13.671 405 HA GLU 48 HA GLU 48 -7.567 12.207 -15.571 406 1HB GLU 48 3HB GLU 48 -5.046 13.708 -15.419 407 2HB GLU 48 2HB GLU 48 -4.860 12.105 -16.130 408 1HG GLU 48 2HG GLU 48 -6.855 12.662 -17.612 409 2HG GLU 48 1HG GLU 48 -6.708 14.323 -17.036 410 H LYS 49 H LYS 49 -6.210 11.820 -12.548 411 HA LYS 49 HA LYS 49 -4.862 9.264 -13.023 412 1HB LYS 49 3HB LYS 49 -5.712 10.495 -10.390 413 2HB LYS 49 2HB LYS 49 -4.482 9.266 -10.643 414 1HG LYS 49 2HG LYS 49 -3.202 10.907 -12.039 415 2HG LYS 49 1HG LYS 49 -4.383 12.137 -11.587 416 1HD LYS 49 2HD LYS 49 -2.936 10.524 -9.488 417 2HD LYS 49 1HD LYS 49 -2.215 11.979 -10.177 418 1HE LYS 49 2HE LYS 49 -4.387 13.180 -9.586 419 2HE LYS 49 1HE LYS 49 -4.814 11.750 -8.646 420 1HZ LYS 49 1HZ LYS 49 -2.706 12.022 -7.431 421 2HZ LYS 49 2HZ LYS 49 -3.754 13.344 -7.228 422 3HZ LYS 49 3HZ LYS 49 -2.419 13.466 -8.274 423 H GLN 50 H GLN 50 -8.102 10.219 -12.583 424 HA GLN 50 HA GLN 50 -9.269 8.296 -10.955 425 1HB GLN 50 3HB GLN 50 -10.755 8.499 -13.476 426 2HB GLN 50 2HB GLN 50 -11.253 8.919 -11.841 427 1HG GLN 50 2HG GLN 50 -9.820 11.001 -12.062 428 2HG GLN 50 1HG GLN 50 -9.653 10.600 -13.772 429 1HE2 GLN 50 1HE2 GLN 50 -10.891 12.582 -14.324 430 2HE2 GLN 50 2HE2 GLN 50 -12.577 12.613 -14.135 431 HA PRO 51 HA PRO 51 -9.347 5.106 -14.507 432 1HB PRO 51 3HB PRO 51 -7.819 5.641 -16.716 433 2HB PRO 51 2HB PRO 51 -9.513 6.100 -16.536 434 1HG PRO 51 2HG PRO 51 -7.087 7.819 -16.376 435 2HG PRO 51 1HG PRO 51 -8.738 8.253 -16.849 436 1HD PRO 51 2HD PRO 51 -7.550 8.765 -14.344 437 2HD PRO 51 1HD PRO 51 -9.285 8.872 -14.711 438 H TYR 52 H TYR 52 -6.115 6.679 -14.588 439 HA TYR 52 HA TYR 52 -4.688 4.191 -14.661 440 1HB TYR 52 3HB TYR 52 -3.522 6.602 -13.314 441 2HB TYR 52 2HB TYR 52 -2.750 5.461 -14.416 442 HD1 TYR 52 HD1 TYR 52 -3.056 8.655 -14.420 443 HD2 TYR 52 HD2 TYR 52 -4.888 5.408 -16.545 444 HE1 TYR 52 HE1 TYR 52 -3.543 10.172 -16.311 445 HE2 TYR 52 HE2 TYR 52 -5.378 6.919 -18.439 446 HH TYR 52 HH TYR 52 -4.877 10.379 -18.207 447 H TYR 53 H TYR 53 -6.539 5.697 -12.271 448 HA TYR 53 HA TYR 53 -5.027 4.620 -10.016 449 1HB TYR 53 3HB TYR 53 -7.384 6.336 -10.404 450 2HB TYR 53 2HB TYR 53 -7.514 5.245 -9.031 451 HD1 TYR 53 HD1 TYR 53 -6.882 8.454 -9.477 452 HD2 TYR 53 HD2 TYR 53 -4.722 4.982 -8.167 453 HE1 TYR 53 HE1 TYR 53 -5.344 9.901 -8.179 454 HE2 TYR 53 HE2 TYR 53 -3.185 6.426 -6.868 455 HH TYR 53 HH TYR 53 -3.340 9.944 -7.096 456 H GLU 54 H GLU 54 -8.348 4.074 -11.188 457 HA GLU 54 HA GLU 54 -8.609 1.559 -9.832 458 1HB GLU 54 3HB GLU 54 -10.608 1.270 -11.251 459 2HB GLU 54 2HB GLU 54 -10.561 2.891 -10.567 460 1HG GLU 54 2HG GLU 54 -10.110 3.886 -12.596 461 2HG GLU 54 1HG GLU 54 -9.247 2.476 -13.214 462 H GLU 55 H GLU 55 -7.138 2.558 -12.798 463 HA GLU 55 HA GLU 55 -7.188 0.059 -14.186 464 1HB GLU 55 3HB GLU 55 -5.621 2.548 -14.350 465 2HB GLU 55 2HB GLU 55 -4.897 1.123 -15.078 466 1HG GLU 55 2HG GLU 55 -7.723 1.337 -15.733 467 2HG GLU 55 1HG GLU 55 -6.839 2.776 -16.237 468 H GLN 56 H GLN 56 -5.439 1.199 -11.435 469 HA GLN 56 HA GLN 56 -3.322 -0.804 -11.693 470 1HB GLN 56 3HB GLN 56 -2.441 0.103 -9.712 471 2HB GLN 56 2HB GLN 56 -3.076 1.478 -10.576 472 1HG GLN 56 2HG GLN 56 -4.027 1.986 -8.587 473 2HG GLN 56 1HG GLN 56 -5.208 0.772 -9.016 474 1HE2 GLN 56 1HE2 GLN 56 -1.841 0.688 -7.733 475 2HE2 GLN 56 2HE2 GLN 56 -2.189 -0.411 -6.486 476 H ALA 57 H ALA 57 -6.216 -0.278 -9.816 477 HA ALA 57 HA ALA 57 -6.034 -2.707 -8.299 478 1HB ALA 57 1HB ALA 57 -7.479 -0.892 -7.527 479 2HB ALA 57 2HB ALA 57 -8.463 -2.322 -7.844 480 3HB ALA 57 3HB ALA 57 -8.434 -0.996 -9.007 481 H ARG 58 H ARG 58 -7.172 -1.847 -11.468 482 HA ARG 58 HA ARG 58 -8.739 -4.212 -11.982 483 1HB ARG 58 3HB ARG 58 -7.357 -2.224 -13.800 484 2HB ARG 58 2HB ARG 58 -8.329 -3.562 -14.411 485 1HG ARG 58 2HG ARG 58 -9.962 -2.437 -12.474 486 2HG ARG 58 1HG ARG 58 -9.191 -1.033 -13.213 487 1HD ARG 58 2HD ARG 58 -9.945 -1.655 -15.399 488 2HD ARG 58 1HD ARG 58 -10.460 -3.247 -14.839 489 HE ARG 58 HE ARG 58 -11.903 -1.349 -13.328 490 1HH1 ARG 58 1HH2 ARG 58 -12.144 -3.325 -16.010 491 2HH1 ARG 58 2HH2 ARG 58 -13.459 -2.473 -16.747 492 1HH2 ARG 58 1HH1 ARG 58 -13.322 0.192 -14.536 493 2HH2 ARG 58 2HH1 ARG 58 -14.128 -0.483 -15.913 494 H LEU 59 H LEU 59 -5.519 -3.281 -13.203 495 HA LEU 59 HA LEU 59 -4.806 -5.764 -14.291 496 1HB LEU 59 3HB LEU 59 -2.444 -5.004 -13.900 497 2HB LEU 59 2HB LEU 59 -3.454 -3.799 -14.693 498 HG LEU 59 HG LEU 59 -3.932 -2.980 -12.251 499 1HD1 LEU 59 1HD1 LEU 59 -2.756 -3.972 -10.601 500 2HD1 LEU 59 2HD1 LEU 59 -1.244 -3.617 -11.437 501 3HD1 LEU 59 3HD1 LEU 59 -2.114 -5.111 -11.783 502 1HD2 LEU 59 1HD2 LEU 59 -1.328 -2.588 -13.751 503 2HD2 LEU 59 2HD2 LEU 59 -1.792 -1.604 -12.363 504 3HD2 LEU 59 3HD2 LEU 59 -2.774 -1.581 -13.830 505 H SER 60 H SER 60 -5.170 -4.880 -10.962 506 HA SER 60 HA SER 60 -3.395 -6.936 -9.902 507 1HB SER 60 3HB SER 60 -3.806 -5.843 -7.970 508 2HB SER 60 2HB SER 60 -4.880 -4.763 -8.852 509 HG SER 60 HG SER 60 -6.425 -5.657 -7.760 510 H LYS 61 H LYS 61 -6.809 -6.629 -10.674 511 HA LYS 61 HA LYS 61 -7.631 -9.164 -9.598 512 1HB LYS 61 3HB LYS 61 -9.017 -7.075 -10.359 513 2HB LYS 61 2HB LYS 61 -8.964 -7.848 -11.944 514 1HG LYS 61 2HG LYS 61 -10.863 -8.872 -11.138 515 2HG LYS 61 1HG LYS 61 -9.668 -9.983 -10.468 516 1HD LYS 61 2HD LYS 61 -9.903 -7.779 -8.673 517 2HD LYS 61 1HD LYS 61 -11.532 -8.337 -9.057 518 1HE LYS 61 2HE LYS 61 -10.571 -10.720 -8.645 519 2HE LYS 61 1HE LYS 61 -9.258 -9.878 -7.820 520 1HZ LYS 61 1HZ LYS 61 -10.688 -9.021 -6.236 521 2HZ LYS 61 2HZ LYS 61 -11.295 -10.592 -6.467 522 3HZ LYS 61 3HZ LYS 61 -12.071 -9.263 -7.188 523 H GLN 62 H GLN 62 -7.012 -8.121 -12.956 524 HA GLN 62 HA GLN 62 -7.205 -10.766 -14.054 525 1HB GLN 62 3HB GLN 62 -6.088 -9.772 -16.048 526 2HB GLN 62 2HB GLN 62 -7.450 -8.805 -15.482 527 1HG GLN 62 2HG GLN 62 -5.656 -7.534 -14.076 528 2HG GLN 62 1HG GLN 62 -4.503 -8.257 -15.198 529 1HE2 GLN 62 1HE2 GLN 62 -4.938 -7.827 -17.584 530 2HE2 GLN 62 2HE2 GLN 62 -5.674 -6.360 -18.015 531 H HIS 63 H HIS 63 -4.611 -9.028 -12.497 532 HA HIS 63 HA HIS 63 -2.370 -10.445 -13.493 533 1HB HIS 63 3HB HIS 63 -2.104 -8.501 -12.038 534 2HB HIS 63 2HB HIS 63 -2.856 -9.367 -10.701 535 HD1 HIS 63 HD1 HIS 63 -0.570 -11.293 -12.892 536 HD2 HIS 63 HD2 HIS 63 -0.319 -9.226 -9.285 537 HE1 HIS 63 HE1 HIS 63 1.612 -11.997 -11.817 538 H LEU 64 H LEU 64 -3.956 -11.072 -10.371 539 HA LEU 64 HA LEU 64 -2.735 -13.588 -9.963 540 1HB LEU 64 3HB LEU 64 -5.004 -12.121 -8.792 541 2HB LEU 64 2HB LEU 64 -5.115 -13.874 -8.639 542 HG LEU 64 HG LEU 64 -2.459 -12.702 -8.037 543 1HD1 LEU 64 1HD1 LEU 64 -4.610 -12.503 -5.939 544 2HD1 LEU 64 2HD1 LEU 64 -4.331 -11.164 -7.053 545 3HD1 LEU 64 3HD1 LEU 64 -3.034 -11.710 -5.988 546 1HD2 LEU 64 1HD2 LEU 64 -2.454 -14.435 -6.366 547 2HD2 LEU 64 2HD2 LEU 64 -3.162 -15.138 -7.820 548 3HD2 LEU 64 3HD2 LEU 64 -4.201 -14.636 -6.486 549 H GLU 65 H GLU 65 -6.024 -12.980 -11.187 550 HA GLU 65 HA GLU 65 -6.692 -15.653 -11.703 551 1HB GLU 65 3HB GLU 65 -8.443 -14.804 -12.972 552 2HB GLU 65 2HB GLU 65 -8.041 -13.423 -11.959 553 1HG GLU 65 2HG GLU 65 -8.070 -12.374 -14.002 554 2HG GLU 65 1HG GLU 65 -6.388 -12.900 -13.988 555 H LYS 66 H LYS 66 -4.502 -13.551 -13.250 556 HA LYS 66 HA LYS 66 -4.325 -15.089 -15.739 557 1HB LYS 66 3HB LYS 66 -2.941 -12.689 -14.602 558 2HB LYS 66 2HB LYS 66 -2.194 -13.552 -15.946 559 1HG LYS 66 2HG LYS 66 -5.060 -13.125 -16.341 560 2HG LYS 66 1HG LYS 66 -4.165 -11.615 -16.175 561 1HD LYS 66 2HD LYS 66 -2.685 -12.198 -17.979 562 2HD LYS 66 1HD LYS 66 -3.309 -13.847 -18.033 563 1HE LYS 66 2HE LYS 66 -4.919 -13.213 -19.466 564 2HE LYS 66 1HE LYS 66 -5.514 -12.037 -18.293 565 1HZ LYS 66 1HZ LYS 66 -4.131 -11.563 -20.685 566 2HZ LYS 66 2HZ LYS 66 -3.156 -11.033 -19.399 567 3HZ LYS 66 3HZ LYS 66 -4.736 -10.431 -19.576 568 H TYR 67 H TYR 67 -2.024 -14.426 -13.080 569 HA TYR 67 HA TYR 67 -0.853 -17.121 -13.635 570 1HB TYR 67 3HB TYR 67 0.900 -14.936 -12.591 571 2HB TYR 67 2HB TYR 67 1.316 -16.324 -13.594 572 HD1 TYR 67 HD1 TYR 67 1.144 -16.238 -15.993 573 HD2 TYR 67 HD2 TYR 67 -0.221 -12.957 -13.589 574 HE1 TYR 67 HE1 TYR 67 0.948 -14.833 -18.026 575 HE2 TYR 67 HE2 TYR 67 -0.418 -11.546 -15.619 576 HH TYR 67 HH TYR 67 0.961 -11.827 -18.188 577 HA PRO 68 HA PRO 68 -1.967 -16.969 -9.218 578 1HB PRO 68 3HB PRO 68 -2.935 -19.534 -9.186 579 2HB PRO 68 2HB PRO 68 -3.921 -18.132 -9.623 580 1HG PRO 68 2HG PRO 68 -2.775 -20.238 -11.392 581 2HG PRO 68 1HG PRO 68 -4.210 -19.227 -11.634 582 1HD PRO 68 2HD PRO 68 -1.679 -18.831 -12.842 583 2HD PRO 68 1HD PRO 68 -3.018 -17.662 -12.811 584 H ASP 69 H ASP 69 -1.335 -20.294 -10.129 585 HA ASP 69 HA ASP 69 0.991 -20.367 -8.378 586 1HB ASP 69 3HB ASP 69 -0.621 -22.175 -8.158 587 2HB ASP 69 2HB ASP 69 -0.450 -22.548 -9.874 588 H TYR 70 H TYR 70 1.058 -22.523 -10.974 589 HA TYR 70 HA TYR 70 3.626 -21.727 -11.846 590 1HB TYR 70 3HB TYR 70 1.535 -23.313 -13.364 591 2HB TYR 70 2HB TYR 70 3.261 -23.266 -13.731 592 HD1 TYR 70 HD1 TYR 70 4.206 -23.160 -10.807 593 HD2 TYR 70 HD2 TYR 70 1.377 -25.666 -12.849 594 HE1 TYR 70 HE1 TYR 70 4.609 -24.962 -9.152 595 HE2 TYR 70 HE2 TYR 70 1.780 -27.468 -11.194 596 HH TYR 70 HH TYR 70 2.947 -28.106 -9.421 Start of MODEL 17 1 HA PRO 1 HA PRO 1 16.373 -7.936 -6.757 2 1HB PRO 1 3HB PRO 1 14.664 -9.793 -5.397 3 2HB PRO 1 2HB PRO 1 16.433 -9.757 -5.418 4 1HG PRO 1 2HG PRO 1 14.688 -9.076 -3.254 5 2HG PRO 1 1HG PRO 1 16.456 -9.022 -3.287 6 1HD PRO 1 2HD PRO 1 14.622 -6.817 -3.314 7 2HD PRO 1 1HD PRO 1 16.389 -6.769 -3.327 8 H HIS 2 H HIS 2 13.093 -8.356 -5.399 9 HA HIS 2 HA HIS 2 11.951 -7.674 -8.052 10 1HB HIS 2 3HB HIS 2 12.376 -10.216 -7.791 11 2HB HIS 2 2HB HIS 2 11.070 -10.175 -6.605 12 HD1 HIS 2 HD1 HIS 2 9.114 -8.247 -7.905 13 HD2 HIS 2 HD2 HIS 2 11.115 -11.208 -10.050 14 HE1 HIS 2 HE1 HIS 2 7.736 -8.678 -9.988 15 H ILE 3 H ILE 3 11.825 -6.039 -5.869 16 HA ILE 3 HA ILE 3 9.235 -6.571 -4.520 17 HB ILE 3 HB ILE 3 11.022 -4.179 -4.071 18 1HG1 ILE 3 2HG1 ILE 3 11.227 -6.921 -2.786 19 2HG1 ILE 3 1HG1 ILE 3 12.397 -6.234 -3.914 20 1HG2 ILE 3 1HG2 ILE 3 9.255 -5.726 -2.160 21 2HG2 ILE 3 2HG2 ILE 3 8.676 -4.349 -3.096 22 3HG2 ILE 3 3HG2 ILE 3 9.968 -4.133 -1.913 23 1HD1 ILE 3 1HD1 ILE 3 13.135 -5.928 -1.575 24 2HD1 ILE 3 2HD1 ILE 3 11.647 -5.049 -1.224 25 3HD1 ILE 3 3HD1 ILE 3 12.823 -4.376 -2.352 26 H LYS 4 H LYS 4 8.317 -6.262 -6.825 27 HA LYS 4 HA LYS 4 8.111 -3.434 -7.648 28 1HB LYS 4 3HB LYS 4 8.270 -5.582 -9.187 29 2HB LYS 4 2HB LYS 4 6.527 -5.640 -8.922 30 1HG LYS 4 2HG LYS 4 6.153 -3.623 -10.016 31 2HG LYS 4 1HG LYS 4 7.785 -3.033 -9.700 32 1HD LYS 4 2HD LYS 4 8.010 -5.414 -11.258 33 2HD LYS 4 1HD LYS 4 6.813 -4.374 -12.032 34 1HE LYS 4 2HE LYS 4 8.468 -3.077 -12.826 35 2HE LYS 4 1HE LYS 4 8.955 -2.707 -11.171 36 1HZ LYS 4 1HZ LYS 4 10.320 -4.675 -11.141 37 2HZ LYS 4 2HZ LYS 4 10.751 -3.707 -12.469 38 3HZ LYS 4 3HZ LYS 4 9.812 -5.103 -12.702 39 H ARG 5 H ARG 5 7.049 -3.867 -5.130 40 HA ARG 5 HA ARG 5 4.134 -4.150 -5.455 41 1HB ARG 5 3HB ARG 5 4.003 -4.228 -3.073 42 2HB ARG 5 2HB ARG 5 5.395 -5.201 -3.536 43 1HG ARG 5 2HG ARG 5 6.922 -3.655 -2.724 44 2HG ARG 5 1HG ARG 5 5.820 -2.296 -2.933 45 1HD ARG 5 2HD ARG 5 5.631 -2.512 -0.656 46 2HD ARG 5 1HD ARG 5 4.411 -3.699 -1.121 47 HE ARG 5 HE ARG 5 6.375 -5.389 -0.938 48 1HH1 ARG 5 1HH2 ARG 5 5.019 -4.092 1.600 49 2HH1 ARG 5 2HH2 ARG 5 6.417 -3.929 2.609 50 1HH2 ARG 5 1HH1 ARG 5 8.668 -4.474 0.027 51 2HH2 ARG 5 2HH1 ARG 5 8.484 -4.145 1.718 52 HA PRO 6 HA PRO 6 4.522 0.409 -4.032 53 1HB PRO 6 3HB PRO 6 6.759 1.754 -4.894 54 2HB PRO 6 2HB PRO 6 6.632 0.973 -3.308 55 1HG PRO 6 2HG PRO 6 8.142 0.090 -5.719 56 2HG PRO 6 1HG PRO 6 8.447 -0.265 -4.011 57 1HD PRO 6 2HD PRO 6 7.235 -2.004 -5.883 58 2HD PRO 6 1HD PRO 6 7.266 -2.221 -4.121 59 H MET 7 H MET 7 3.116 -0.301 -6.096 60 HA MET 7 HA MET 7 3.924 1.270 -8.447 61 1HB MET 7 3HB MET 7 1.895 -0.892 -8.082 62 2HB MET 7 2HB MET 7 2.152 -0.024 -9.582 63 1HG MET 7 2HG MET 7 4.568 -1.161 -8.303 64 2HG MET 7 1HG MET 7 3.433 -2.318 -8.978 65 1HE MET 7 1HE MET 7 6.693 -0.765 -10.071 66 2HE MET 7 2HE MET 7 5.712 0.422 -9.214 67 3HE MET 7 3HE MET 7 6.133 0.692 -10.904 68 H ASN 8 H ASN 8 1.783 2.207 -9.519 69 HA ASN 8 HA ASN 8 -0.439 2.819 -7.896 70 1HB ASN 8 3HB ASN 8 0.704 4.093 -6.375 71 2HB ASN 8 2HB ASN 8 1.936 4.510 -7.537 72 1HD2 ASN 8 1HD2 ASN 8 1.921 6.741 -7.844 73 2HD2 ASN 8 2HD2 ASN 8 0.521 7.690 -7.991 74 H ALA 9 H ALA 9 -1.514 4.954 -8.873 75 HA ALA 9 HA ALA 9 -1.947 4.515 -11.593 76 1HB ALA 9 1HB ALA 9 -2.631 7.048 -11.553 77 2HB ALA 9 2HB ALA 9 -2.345 6.906 -9.819 78 3HB ALA 9 3HB ALA 9 -3.562 5.895 -10.598 79 H PHE 10 H PHE 10 0.464 6.396 -9.960 80 HA PHE 10 HA PHE 10 1.419 7.752 -12.273 81 1HB PHE 10 3HB PHE 10 1.941 8.708 -10.235 82 2HB PHE 10 2HB PHE 10 2.465 7.185 -9.545 83 HD1 PHE 10 HD1 PHE 10 3.339 9.083 -12.661 84 HD2 PHE 10 HD2 PHE 10 4.741 7.194 -9.069 85 HE1 PHE 10 HE1 PHE 10 5.677 9.595 -13.296 86 HE2 PHE 10 HE2 PHE 10 7.080 7.706 -9.710 87 HZ PHE 10 HZ PHE 10 7.549 8.908 -11.825 88 H MET 11 H MET 11 2.984 5.153 -10.401 89 HA MET 11 HA MET 11 4.839 4.521 -12.496 90 1HB MET 11 3HB MET 11 3.785 2.883 -10.167 91 2HB MET 11 2HB MET 11 5.041 2.305 -11.261 92 1HG MET 11 2HG MET 11 6.162 4.635 -10.686 93 2HG MET 11 1HG MET 11 5.157 4.514 -9.242 94 1HE MET 11 1HE MET 11 8.823 3.709 -10.247 95 2HE MET 11 2HE MET 11 7.667 3.253 -11.497 96 3HE MET 11 3HE MET 11 8.613 2.009 -10.686 97 H VAL 12 H VAL 12 1.502 4.013 -12.037 98 HA VAL 12 HA VAL 12 1.306 1.669 -13.761 99 HB VAL 12 HB VAL 12 -0.649 3.534 -12.431 100 1HG1 VAL 12 1HG1 VAL 12 -1.125 1.633 -14.681 101 2HG1 VAL 12 2HG1 VAL 12 -1.910 3.170 -14.321 102 3HG1 VAL 12 3HG1 VAL 12 -2.338 1.727 -13.403 103 1HG2 VAL 12 1HG2 VAL 12 -0.869 0.613 -12.119 104 2HG2 VAL 12 2HG2 VAL 12 -0.872 1.878 -10.894 105 3HG2 VAL 12 3HG2 VAL 12 0.654 1.287 -11.548 106 H TRP 13 H TRP 13 0.533 5.110 -13.881 107 HA TRP 13 HA TRP 13 -0.193 4.925 -16.729 108 1HB TRP 13 3HB TRP 13 -1.385 6.658 -15.878 109 2HB TRP 13 2HB TRP 13 -0.259 6.908 -14.562 110 HD1 TRP 13 HD1 TRP 13 -1.434 8.370 -17.643 111 HE1 TRP 13 HE1 TRP 13 0.040 10.356 -18.295 112 HE3 TRP 13 HE3 TRP 13 2.562 7.637 -14.558 113 HZ2 TRP 13 HZ2 TRP 13 2.585 11.483 -17.679 114 HZ3 TRP 13 HZ3 TRP 13 4.498 9.163 -14.623 115 HH2 TRP 13 HH2 TRP 13 4.509 11.092 -16.166 116 H ALA 14 H ALA 14 2.531 5.801 -14.781 117 HA ALA 14 HA ALA 14 4.099 6.955 -16.902 118 1HB ALA 14 1HB ALA 14 5.669 7.329 -15.281 119 2HB ALA 14 2HB ALA 14 5.399 5.771 -14.505 120 3HB ALA 14 3HB ALA 14 4.268 7.096 -14.248 121 H LYS 15 H LYS 15 3.362 3.720 -15.965 122 HA LYS 15 HA LYS 15 5.760 2.487 -16.940 123 1HB LYS 15 3HB LYS 15 4.544 0.393 -16.823 124 2HB LYS 15 2HB LYS 15 4.103 1.348 -15.409 125 1HG LYS 15 2HG LYS 15 1.957 1.035 -16.021 126 2HG LYS 15 1HG LYS 15 2.279 2.151 -17.346 127 1HD LYS 15 2HD LYS 15 2.084 0.495 -18.858 128 2HD LYS 15 1HD LYS 15 3.291 -0.470 -18.007 129 1HE LYS 15 2HE LYS 15 1.609 -1.364 -16.511 130 2HE LYS 15 1HE LYS 15 0.384 -0.282 -17.172 131 1HZ LYS 15 1HZ LYS 15 1.745 -2.527 -18.547 132 2HZ LYS 15 2HZ LYS 15 0.806 -1.371 -19.364 133 3HZ LYS 15 3HZ LYS 15 0.093 -2.378 -18.195 134 H ASP 16 H ASP 16 2.824 3.678 -18.265 135 HA ASP 16 HA ASP 16 3.427 2.579 -20.939 136 1HB ASP 16 3HB ASP 16 1.344 4.366 -21.254 137 2HB ASP 16 2HB ASP 16 1.166 2.636 -21.028 138 H GLU 17 H GLU 17 3.226 5.637 -19.210 139 HA GLU 17 HA GLU 17 3.989 7.339 -21.355 140 1HB GLU 17 3HB GLU 17 3.615 7.444 -18.526 141 2HB GLU 17 2HB GLU 17 5.141 8.231 -18.903 142 1HG GLU 17 2HG GLU 17 2.894 8.861 -20.715 143 2HG GLU 17 1HG GLU 17 2.712 9.417 -19.057 144 H ARG 18 H ARG 18 5.741 5.225 -19.205 145 HA ARG 18 HA ARG 18 8.431 6.031 -19.809 146 1HB ARG 18 3HB ARG 18 7.048 3.734 -18.530 147 2HB ARG 18 2HB ARG 18 8.583 3.336 -19.297 148 1HG ARG 18 2HG ARG 18 8.782 5.791 -17.766 149 2HG ARG 18 1HG ARG 18 8.222 4.448 -16.771 150 1HD ARG 18 2HD ARG 18 10.697 4.454 -18.517 151 2HD ARG 18 1HD ARG 18 10.662 4.495 -16.755 152 HE ARG 18 HE ARG 18 10.036 2.142 -18.440 153 1HH1 ARG 18 1HH2 ARG 18 9.534 3.632 -15.401 154 2HH1 ARG 18 2HH2 ARG 18 9.764 2.179 -14.486 155 1HH2 ARG 18 1HH1 ARG 18 10.620 0.264 -17.249 156 2HH2 ARG 18 2HH1 ARG 18 10.379 0.271 -15.534 157 H ARG 19 H ARG 19 6.188 3.619 -20.986 158 HA ARG 19 HA ARG 19 7.894 2.577 -23.017 159 1HB ARG 19 3HB ARG 19 6.214 1.069 -23.205 160 2HB ARG 19 2HB ARG 19 5.535 1.847 -21.802 161 1HG ARG 19 2HG ARG 19 3.707 2.063 -23.116 162 2HG ARG 19 1HG ARG 19 4.548 3.455 -23.765 163 1HD ARG 19 2HD ARG 19 5.309 2.273 -25.664 164 2HD ARG 19 1HD ARG 19 4.998 0.708 -24.914 165 HE ARG 19 HE ARG 19 2.755 2.532 -25.676 166 1HH1 ARG 19 1HH2 ARG 19 2.884 -0.358 -24.312 167 2HH1 ARG 19 2HH2 ARG 19 2.238 -1.290 -25.623 168 1HH2 ARG 19 1HH1 ARG 19 2.542 1.271 -27.942 169 2HH2 ARG 19 2HH1 ARG 19 2.045 -0.367 -27.677 170 H LYS 20 H LYS 20 5.459 5.076 -22.816 171 HA LYS 20 HA LYS 20 5.420 5.658 -25.626 172 1HB LYS 20 3HB LYS 20 4.455 7.055 -23.156 173 2HB LYS 20 2HB LYS 20 4.462 7.915 -24.697 174 1HG LYS 20 2HG LYS 20 3.153 6.060 -25.704 175 2HG LYS 20 1HG LYS 20 3.076 5.281 -24.125 176 1HD LYS 20 2HD LYS 20 1.137 6.459 -23.906 177 2HD LYS 20 1HD LYS 20 2.218 7.790 -23.490 178 1HE LYS 20 2HE LYS 20 0.967 8.776 -25.179 179 2HE LYS 20 1HE LYS 20 2.306 8.112 -26.117 180 1HZ LYS 20 1HZ LYS 20 0.521 7.309 -27.268 181 2HZ LYS 20 2HZ LYS 20 -0.461 7.160 -25.889 182 3HZ LYS 20 3HZ LYS 20 0.771 6.027 -26.186 183 H ILE 21 H ILE 21 7.416 6.576 -22.976 184 HA ILE 21 HA ILE 21 8.697 8.696 -24.579 185 HB ILE 21 HB ILE 21 8.250 8.240 -21.768 186 1HG1 ILE 21 2HG1 ILE 21 9.374 10.705 -21.963 187 2HG1 ILE 21 1HG1 ILE 21 8.879 10.439 -23.636 188 1HG2 ILE 21 1HG2 ILE 21 10.453 7.427 -21.493 189 2HG2 ILE 21 2HG2 ILE 21 10.526 9.130 -21.043 190 3HG2 ILE 21 3HG2 ILE 21 11.116 8.609 -22.621 191 1HD1 ILE 21 1HD1 ILE 21 6.831 11.128 -22.946 192 2HD1 ILE 21 2HD1 ILE 21 7.225 10.885 -21.245 193 3HD1 ILE 21 3HD1 ILE 21 6.692 9.523 -22.231 194 H LEU 22 H LEU 22 9.557 5.707 -22.897 195 HA LEU 22 HA LEU 22 12.285 5.579 -23.473 196 1HB LEU 22 3HB LEU 22 10.749 3.928 -22.252 197 2HB LEU 22 2HB LEU 22 10.430 3.243 -23.839 198 HG LEU 22 HG LEU 22 12.941 3.109 -24.152 199 1HD1 LEU 22 1HD1 LEU 22 14.277 3.098 -22.075 200 2HD1 LEU 22 2HD1 LEU 22 12.846 3.567 -21.156 201 3HD1 LEU 22 3HD1 LEU 22 13.536 4.677 -22.340 202 1HD2 LEU 22 1HD2 LEU 22 13.039 1.109 -22.515 203 2HD2 LEU 22 2HD2 LEU 22 11.808 1.096 -23.779 204 3HD2 LEU 22 3HD2 LEU 22 11.374 1.542 -22.129 205 H GLN 23 H GLN 23 9.525 5.112 -25.518 206 HA GLN 23 HA GLN 23 10.853 3.937 -27.756 207 1HB GLN 23 3HB GLN 23 8.911 4.652 -29.020 208 2HB GLN 23 2HB GLN 23 8.376 4.048 -27.456 209 1HG GLN 23 2HG GLN 23 8.465 6.389 -26.612 210 2HG GLN 23 1HG GLN 23 8.774 6.917 -28.261 211 1HE2 GLN 23 1HE2 GLN 23 6.815 7.808 -28.995 212 2HE2 GLN 23 2HE2 GLN 23 5.302 7.048 -28.857 213 H ALA 24 H ALA 24 10.202 7.086 -26.629 214 HA ALA 24 HA ALA 24 11.522 8.455 -28.837 215 1HB ALA 24 1HB ALA 24 11.083 10.494 -27.404 216 2HB ALA 24 2HB ALA 24 10.338 9.414 -26.224 217 3HB ALA 24 3HB ALA 24 9.638 9.580 -27.835 218 H PHE 25 H PHE 25 12.404 7.018 -25.874 219 HA PHE 25 HA PHE 25 15.157 7.941 -26.190 220 1HB PHE 25 3HB PHE 25 13.768 8.311 -23.525 221 2HB PHE 25 2HB PHE 25 15.386 8.848 -23.980 222 HD1 PHE 25 HD1 PHE 25 15.733 10.831 -25.316 223 HD2 PHE 25 HD2 PHE 25 11.764 9.435 -24.451 224 HE1 PHE 25 HE1 PHE 25 14.800 12.976 -26.137 225 HE2 PHE 25 HE2 PHE 25 10.830 11.582 -25.271 226 HZ PHE 25 HZ PHE 25 12.349 13.352 -26.114 227 HA PRO 26 HA PRO 26 14.526 3.521 -24.986 228 1HB PRO 26 3HB PRO 26 16.343 2.625 -26.848 229 2HB PRO 26 2HB PRO 26 14.612 2.820 -27.161 230 1HG PRO 26 2HG PRO 26 16.884 4.618 -27.958 231 2HG PRO 26 1HG PRO 26 15.381 4.257 -28.829 232 1HD PRO 26 2HD PRO 26 15.766 6.594 -27.391 233 2HD PRO 26 1HD PRO 26 14.176 5.875 -27.686 234 H ASP 27 H ASP 27 16.987 5.823 -24.859 235 HA ASP 27 HA ASP 27 18.859 3.947 -23.509 236 1HB ASP 27 3HB ASP 27 19.280 6.128 -25.243 237 2HB ASP 27 2HB ASP 27 19.848 6.621 -23.653 238 H MET 28 H MET 28 16.804 6.716 -23.112 239 HA MET 28 HA MET 28 17.593 7.477 -20.477 240 1HB MET 28 3HB MET 28 15.921 8.603 -22.231 241 2HB MET 28 2HB MET 28 14.759 7.716 -21.251 242 1HG MET 28 2HG MET 28 15.392 8.818 -19.267 243 2HG MET 28 1HG MET 28 16.892 9.407 -19.979 244 1HE MET 28 1HE MET 28 15.578 10.439 -23.002 245 2HE MET 28 2HE MET 28 17.014 10.684 -22.010 246 3HE MET 28 3HE MET 28 15.989 12.057 -22.419 247 H HIS 29 H HIS 29 17.875 5.559 -19.370 248 HA HIS 29 HA HIS 29 15.756 3.596 -19.242 249 1HB HIS 29 3HB HIS 29 17.220 2.414 -17.728 250 2HB HIS 29 2HB HIS 29 18.167 3.055 -19.070 251 HD1 HIS 29 HD1 HIS 29 19.278 2.455 -16.122 252 HD2 HIS 29 HD2 HIS 29 18.255 6.194 -17.654 253 HE1 HIS 29 HE1 HIS 29 20.572 4.160 -14.772 254 H ASN 30 H ASN 30 15.711 2.885 -16.549 255 HA ASN 30 HA ASN 30 13.608 4.479 -15.548 256 1HB ASN 30 3HB ASN 30 15.465 2.488 -14.260 257 2HB ASN 30 2HB ASN 30 14.227 3.322 -13.318 258 1HD2 ASN 30 1HD2 ASN 30 12.455 1.950 -13.112 259 2HD2 ASN 30 2HD2 ASN 30 11.808 0.999 -14.359 260 H SER 31 H SER 31 16.937 4.336 -14.206 261 HA SER 31 HA SER 31 16.767 6.292 -12.294 262 1HB SER 31 3HB SER 31 19.004 6.113 -12.241 263 2HB SER 31 2HB SER 31 18.853 5.027 -13.615 264 HG SER 31 HG SER 31 19.977 7.429 -13.515 265 H ASN 32 H ASN 32 16.541 6.840 -15.750 266 HA ASN 32 HA ASN 32 16.609 9.766 -15.225 267 1HB ASN 32 3HB ASN 32 17.427 8.104 -17.462 268 2HB ASN 32 2HB ASN 32 16.488 9.511 -17.945 269 1HD2 ASN 32 1HD2 ASN 32 19.619 8.477 -17.052 270 2HD2 ASN 32 2HD2 ASN 32 20.303 10.005 -16.775 271 H ILE 33 H ILE 33 14.714 7.383 -17.095 272 HA ILE 33 HA ILE 33 12.601 9.082 -17.852 273 HB ILE 33 HB ILE 33 12.482 6.179 -16.994 274 1HG1 ILE 33 2HG1 ILE 33 13.988 6.837 -18.922 275 2HG1 ILE 33 1HG1 ILE 33 12.722 5.681 -19.332 276 1HG2 ILE 33 1HG2 ILE 33 10.443 6.447 -18.729 277 2HG2 ILE 33 2HG2 ILE 33 10.433 8.070 -18.039 278 3HG2 ILE 33 3HG2 ILE 33 10.238 6.664 -16.992 279 1HD1 ILE 33 1HD1 ILE 33 12.220 7.119 -21.011 280 2HD1 ILE 33 2HD1 ILE 33 13.107 8.445 -20.262 281 3HD1 ILE 33 3HD1 ILE 33 11.457 8.094 -19.758 282 H SER 34 H SER 34 13.471 7.882 -14.738 283 HA SER 34 HA SER 34 11.030 8.007 -13.338 284 1HB SER 34 3HB SER 34 13.822 7.906 -12.708 285 2HB SER 34 2HB SER 34 13.046 9.103 -11.674 286 HG SER 34 HG SER 34 12.773 6.365 -11.748 287 H LYS 35 H LYS 35 13.405 10.654 -13.879 288 HA LYS 35 HA LYS 35 11.712 12.581 -12.563 289 1HB LYS 35 3HB LYS 35 13.255 14.262 -13.599 290 2HB LYS 35 2HB LYS 35 14.113 12.999 -12.714 291 1HG LYS 35 2HG LYS 35 13.705 12.069 -15.374 292 2HG LYS 35 1HG LYS 35 14.361 13.698 -15.472 293 1HD LYS 35 2HD LYS 35 15.639 11.988 -13.435 294 2HD LYS 35 1HD LYS 35 15.884 11.459 -15.100 295 1HE LYS 35 2HE LYS 35 17.234 13.215 -15.579 296 2HE LYS 35 1HE LYS 35 16.182 14.359 -14.746 297 1HZ LYS 35 1HZ LYS 35 18.463 13.976 -13.757 298 2HZ LYS 35 2HZ LYS 35 17.898 12.448 -13.277 299 3HZ LYS 35 3HZ LYS 35 17.148 13.856 -12.692 300 H ILE 36 H ILE 36 11.972 11.213 -15.704 301 HA ILE 36 HA ILE 36 10.531 13.255 -17.114 302 HB ILE 36 HB ILE 36 11.316 10.452 -17.670 303 1HG1 ILE 36 2HG1 ILE 36 12.044 11.964 -19.814 304 2HG1 ILE 36 1HG1 ILE 36 12.061 13.176 -18.532 305 1HG2 ILE 36 1HG2 ILE 36 10.228 10.737 -19.957 306 2HG2 ILE 36 2HG2 ILE 36 9.343 12.097 -19.265 307 3HG2 ILE 36 3HG2 ILE 36 9.111 10.473 -18.618 308 1HD1 ILE 36 1HD1 ILE 36 14.262 12.153 -18.660 309 2HD1 ILE 36 2HD1 ILE 36 13.556 10.540 -18.548 310 3HD1 ILE 36 3HD1 ILE 36 13.483 11.632 -17.167 311 H LEU 37 H LEU 37 9.692 10.047 -15.932 312 HA LEU 37 HA LEU 37 6.898 10.125 -16.472 313 1HB LEU 37 3HB LEU 37 8.613 8.710 -14.451 314 2HB LEU 37 2HB LEU 37 6.867 8.513 -14.479 315 HG LEU 37 HG LEU 37 8.836 7.846 -16.668 316 1HD1 LEU 37 1HD1 LEU 37 7.037 5.775 -16.157 317 2HD1 LEU 37 2HD1 LEU 37 7.418 6.440 -14.570 318 3HD1 LEU 37 3HD1 LEU 37 8.713 5.867 -15.621 319 1HD2 LEU 37 1HD2 LEU 37 7.142 8.526 -18.063 320 2HD2 LEU 37 2HD2 LEU 37 5.930 8.459 -16.784 321 3HD2 LEU 37 3HD2 LEU 37 6.428 6.980 -17.605 322 H GLY 38 H GLY 38 8.574 10.499 -13.368 323 1HA GLY 38 2HA GLY 38 6.354 11.411 -11.862 324 2HA GLY 38 1HA GLY 38 8.036 11.711 -11.430 325 H SER 39 H SER 39 8.088 13.016 -14.304 326 HA SER 39 HA SER 39 7.191 15.647 -13.299 327 1HB SER 39 3HB SER 39 8.688 16.640 -14.947 328 2HB SER 39 2HB SER 39 9.594 15.450 -14.019 329 HG SER 39 HG SER 39 8.375 15.072 -16.561 330 H ARG 40 H ARG 40 6.570 13.102 -15.430 331 HA ARG 40 HA ARG 40 4.957 14.731 -17.261 332 1HB ARG 40 3HB ARG 40 5.827 11.890 -17.064 333 2HB ARG 40 2HB ARG 40 4.534 12.339 -18.152 334 1HG ARG 40 2HG ARG 40 6.823 14.141 -18.319 335 2HG ARG 40 1HG ARG 40 7.254 12.476 -18.705 336 1HD ARG 40 2HD ARG 40 5.332 12.409 -20.299 337 2HD ARG 40 1HD ARG 40 5.064 14.124 -19.992 338 HE ARG 40 HE ARG 40 7.773 13.861 -20.720 339 1HH1 ARG 40 1HH1 ARG 40 4.916 12.616 -22.110 340 2HH1 ARG 40 2HH1 ARG 40 5.270 13.182 -23.708 341 1HH2 ARG 40 1HH2 ARG 40 8.134 14.889 -22.753 342 2HH2 ARG 40 2HH2 ARG 40 7.093 14.470 -24.073 343 H TRP 41 H TRP 41 4.880 12.727 -14.492 344 HA TRP 41 HA TRP 41 2.087 12.114 -14.368 345 1HB TRP 41 3HB TRP 41 3.885 10.932 -13.106 346 2HB TRP 41 2HB TRP 41 4.102 12.385 -12.136 347 HD1 TRP 41 HD1 TRP 41 2.709 12.390 -9.993 348 HE1 TRP 41 HE1 TRP 41 0.469 11.316 -9.236 349 HE3 TRP 41 HE3 TRP 41 1.414 10.081 -14.281 350 HZ2 TRP 41 HZ2 TRP 41 -1.610 9.664 -10.383 351 HZ3 TRP 41 HZ3 TRP 41 -0.666 8.750 -14.447 352 HH2 TRP 41 HH2 TRP 41 -2.177 8.566 -12.557 353 H LYS 42 H LYS 42 4.025 14.355 -12.369 354 HA LYS 42 HA LYS 42 1.770 15.654 -11.225 355 1HB LYS 42 3HB LYS 42 4.638 16.539 -11.644 356 2HB LYS 42 2HB LYS 42 3.454 17.554 -10.819 357 1HG LYS 42 2HG LYS 42 3.026 15.261 -9.484 358 2HG LYS 42 1HG LYS 42 4.715 15.006 -9.926 359 1HD LYS 42 2HD LYS 42 3.558 17.343 -8.385 360 2HD LYS 42 1HD LYS 42 4.693 16.130 -7.792 361 1HE LYS 42 2HE LYS 42 6.412 16.923 -9.326 362 2HE LYS 42 1HE LYS 42 5.279 18.059 -10.057 363 1HZ LYS 42 1HZ LYS 42 5.199 18.530 -7.338 364 2HZ LYS 42 2HZ LYS 42 5.896 19.516 -8.532 365 3HZ LYS 42 3HZ LYS 42 6.843 18.363 -7.719 366 H ALA 43 H ALA 43 3.096 15.724 -14.334 367 HA ALA 43 HA ALA 43 2.162 18.356 -15.038 368 1HB ALA 43 1HB ALA 43 3.629 16.129 -16.369 369 2HB ALA 43 2HB ALA 43 4.066 17.832 -16.242 370 3HB ALA 43 3HB ALA 43 2.828 17.323 -17.391 371 H MET 44 H MET 44 0.450 15.718 -14.339 372 HA MET 44 HA MET 44 -1.240 15.681 -16.744 373 1HB MET 44 3HB MET 44 -2.351 13.810 -15.714 374 2HB MET 44 2HB MET 44 -0.623 13.566 -15.532 375 1HG MET 44 2HG MET 44 -0.745 13.669 -13.275 376 2HG MET 44 1HG MET 44 -1.826 15.059 -13.308 377 1HE MET 44 1HE MET 44 -2.775 10.657 -13.854 378 2HE MET 44 2HE MET 44 -1.420 11.606 -14.459 379 3HE MET 44 3HE MET 44 -2.958 11.634 -15.318 380 H THR 45 H THR 45 -3.530 15.068 -14.629 381 HA THR 45 HA THR 45 -4.003 17.873 -13.777 382 HB THR 45 HB THR 45 -6.441 17.174 -14.785 383 HG1 THR 45 HG1 THR 45 -6.046 16.331 -16.821 384 1HG2 THR 45 1HG2 THR 45 -5.736 18.715 -16.698 385 2HG2 THR 45 2HG2 THR 45 -4.127 18.707 -15.977 386 3HG2 THR 45 3HG2 THR 45 -5.495 19.354 -15.072 387 H ASN 46 H ASN 46 -3.617 15.211 -12.448 388 HA ASN 46 HA ASN 46 -4.457 14.134 -10.547 389 1HB ASN 46 3HB ASN 46 -6.267 16.561 -10.563 390 2HB ASN 46 2HB ASN 46 -6.258 15.358 -9.274 391 1HD2 ASN 46 1HD2 ASN 46 -5.387 16.841 -7.674 392 2HD2 ASN 46 2HD2 ASN 46 -3.786 17.403 -7.755 393 H LEU 47 H LEU 47 -7.287 15.485 -12.272 394 HA LEU 47 HA LEU 47 -9.006 13.288 -11.742 395 1HB LEU 47 3HB LEU 47 -9.327 15.698 -12.961 396 2HB LEU 47 2HB LEU 47 -9.346 14.626 -14.362 397 HG LEU 47 HG LEU 47 -10.976 13.905 -11.948 398 1HD1 LEU 47 1HD1 LEU 47 -12.382 15.648 -12.178 399 2HD1 LEU 47 2HD1 LEU 47 -12.577 15.292 -13.894 400 3HD1 LEU 47 3HD1 LEU 47 -11.275 16.353 -13.356 401 1HD2 LEU 47 1HD2 LEU 47 -11.874 12.384 -13.369 402 2HD2 LEU 47 2HD2 LEU 47 -10.519 12.762 -14.434 403 3HD2 LEU 47 3HD2 LEU 47 -12.066 13.580 -14.651 404 H GLU 48 H GLU 48 -6.704 13.844 -14.376 405 HA GLU 48 HA GLU 48 -7.463 11.504 -15.890 406 1HB GLU 48 3HB GLU 48 -6.186 13.416 -16.856 407 2HB GLU 48 2HB GLU 48 -4.804 12.967 -15.856 408 1HG GLU 48 2HG GLU 48 -4.167 11.497 -17.432 409 2HG GLU 48 1HG GLU 48 -5.671 10.608 -17.184 410 H LYS 49 H LYS 49 -5.792 11.927 -12.961 411 HA LYS 49 HA LYS 49 -4.146 9.498 -13.226 412 1HB LYS 49 3HB LYS 49 -2.961 10.815 -11.800 413 2HB LYS 49 2HB LYS 49 -4.373 11.772 -11.372 414 1HG LYS 49 2HG LYS 49 -4.174 8.984 -10.295 415 2HG LYS 49 1HG LYS 49 -3.168 10.236 -9.574 416 1HD LYS 49 2HD LYS 49 -4.923 11.172 -8.524 417 2HD LYS 49 1HD LYS 49 -5.890 11.170 -9.997 418 1HE LYS 49 2HE LYS 49 -7.143 9.602 -8.945 419 2HE LYS 49 1HE LYS 49 -5.830 8.500 -9.356 420 1HZ LYS 49 1HZ LYS 49 -6.399 9.841 -6.804 421 2HZ LYS 49 2HZ LYS 49 -4.796 9.426 -7.184 422 3HZ LYS 49 3HZ LYS 49 -5.991 8.222 -7.097 423 H GLN 50 H GLN 50 -7.337 10.297 -12.223 424 HA GLN 50 HA GLN 50 -7.852 8.333 -10.256 425 1HB GLN 50 3HB GLN 50 -9.795 9.269 -12.371 426 2HB GLN 50 2HB GLN 50 -10.169 8.669 -10.757 427 1HG GLN 50 2HG GLN 50 -8.306 10.768 -10.424 428 2HG GLN 50 1HG GLN 50 -9.523 11.348 -11.560 429 1HE2 GLN 50 1HE2 GLN 50 -10.218 12.799 -9.682 430 2HE2 GLN 50 2HE2 GLN 50 -11.251 12.148 -8.502 431 HA PRO 51 HA PRO 51 -9.139 5.395 -13.808 432 1HB PRO 51 3HB PRO 51 -8.072 5.888 -16.280 433 2HB PRO 51 2HB PRO 51 -9.641 6.484 -15.733 434 1HG PRO 51 2HG PRO 51 -7.084 7.977 -16.052 435 2HG PRO 51 1HG PRO 51 -8.749 8.572 -16.158 436 1HD PRO 51 2HD PRO 51 -7.029 8.879 -13.948 437 2HD PRO 51 1HD PRO 51 -8.784 9.140 -13.930 438 H TYR 52 H TYR 52 -5.877 6.780 -14.124 439 HA TYR 52 HA TYR 52 -4.665 4.201 -14.718 440 1HB TYR 52 3HB TYR 52 -3.244 6.548 -13.444 441 2HB TYR 52 2HB TYR 52 -2.573 5.318 -14.518 442 HD1 TYR 52 HD1 TYR 52 -2.709 8.502 -14.748 443 HD2 TYR 52 HD2 TYR 52 -4.890 5.239 -16.484 444 HE1 TYR 52 HE1 TYR 52 -3.261 9.912 -16.704 445 HE2 TYR 52 HE2 TYR 52 -5.443 6.642 -18.441 446 HH TYR 52 HH TYR 52 -4.762 8.582 -19.566 447 H TYR 53 H TYR 53 -6.108 5.539 -12.021 448 HA TYR 53 HA TYR 53 -4.385 4.342 -9.995 449 1HB TYR 53 3HB TYR 53 -6.471 6.238 -10.069 450 2HB TYR 53 2HB TYR 53 -7.068 4.899 -9.097 451 HD1 TYR 53 HD1 TYR 53 -6.154 4.432 -6.925 452 HD2 TYR 53 HD2 TYR 53 -4.302 7.338 -9.482 453 HE1 TYR 53 HE1 TYR 53 -4.729 5.182 -5.042 454 HE2 TYR 53 HE2 TYR 53 -2.875 8.088 -7.604 455 HH TYR 53 HH TYR 53 -3.229 6.672 -4.354 456 H GLU 54 H GLU 54 -7.815 3.749 -10.793 457 HA GLU 54 HA GLU 54 -8.007 1.247 -9.525 458 1HB GLU 54 3HB GLU 54 -9.753 0.810 -11.430 459 2HB GLU 54 2HB GLU 54 -10.062 2.107 -10.278 460 1HG GLU 54 2HG GLU 54 -9.481 3.778 -11.810 461 2HG GLU 54 1HG GLU 54 -8.531 2.673 -12.803 462 H GLU 55 H GLU 55 -6.577 2.153 -12.579 463 HA GLU 55 HA GLU 55 -6.346 -0.497 -13.648 464 1HB GLU 55 3HB GLU 55 -5.269 2.159 -14.248 465 2HB GLU 55 2HB GLU 55 -4.246 0.820 -14.752 466 1HG GLU 55 2HG GLU 55 -6.904 0.117 -15.431 467 2HG GLU 55 1HG GLU 55 -6.677 1.785 -15.960 468 H GLN 56 H GLN 56 -4.782 1.137 -11.088 469 HA GLN 56 HA GLN 56 -2.298 -0.395 -11.227 470 1HB GLN 56 3HB GLN 56 -1.617 0.871 -9.431 471 2HB GLN 56 2HB GLN 56 -2.837 1.951 -10.070 472 1HG GLN 56 2HG GLN 56 -4.440 1.183 -8.412 473 2HG GLN 56 1HG GLN 56 -3.335 -0.078 -7.869 474 1HE2 GLN 56 1HE2 GLN 56 -3.478 3.513 -8.195 475 2HE2 GLN 56 2HE2 GLN 56 -2.534 3.817 -6.817 476 H ALA 57 H ALA 57 -5.146 -0.357 -9.156 477 HA ALA 57 HA ALA 57 -4.605 -2.513 -7.498 478 1HB ALA 57 1HB ALA 57 -6.698 -0.942 -7.653 479 2HB ALA 57 2HB ALA 57 -6.883 -2.571 -6.999 480 3HB ALA 57 3HB ALA 57 -7.353 -2.229 -8.665 481 H ARG 58 H ARG 58 -5.790 -2.624 -10.850 482 HA ARG 58 HA ARG 58 -6.193 -5.499 -10.784 483 1HB ARG 58 3HB ARG 58 -5.647 -4.903 -13.454 484 2HB ARG 58 2HB ARG 58 -7.240 -4.999 -12.715 485 1HG ARG 58 2HG ARG 58 -7.111 -2.583 -12.167 486 2HG ARG 58 1HG ARG 58 -5.541 -2.504 -12.968 487 1HD ARG 58 2HD ARG 58 -8.259 -2.927 -14.171 488 2HD ARG 58 1HD ARG 58 -6.966 -1.856 -14.703 489 HE ARG 58 HE ARG 58 -7.281 -4.649 -15.454 490 1HH1 ARG 58 1HH1 ARG 58 -5.138 -1.978 -15.007 491 2HH1 ARG 58 2HH1 ARG 58 -3.892 -2.646 -16.006 492 1HH2 ARG 58 1HH2 ARG 58 -5.629 -5.558 -16.706 493 2HH2 ARG 58 2HH2 ARG 58 -4.167 -4.667 -16.964 494 H LEU 59 H LEU 59 -3.655 -3.530 -12.326 495 HA LEU 59 HA LEU 59 -1.937 -5.747 -12.865 496 1HB LEU 59 3HB LEU 59 -0.161 -3.972 -13.064 497 2HB LEU 59 2HB LEU 59 -1.590 -3.674 -14.046 498 HG LEU 59 HG LEU 59 -2.365 -2.376 -11.831 499 1HD1 LEU 59 1HD1 LEU 59 0.650 -2.045 -11.842 500 2HD1 LEU 59 2HD1 LEU 59 -0.226 -3.015 -10.659 501 3HD1 LEU 59 3HD1 LEU 59 -0.497 -1.275 -10.745 502 1HD2 LEU 59 1HD2 LEU 59 -1.994 -0.457 -13.072 503 2HD2 LEU 59 2HD2 LEU 59 -1.735 -1.660 -14.331 504 3HD2 LEU 59 3HD2 LEU 59 -0.355 -0.932 -13.510 505 H SER 60 H SER 60 -2.716 -4.136 -9.946 506 HA SER 60 HA SER 60 -0.196 -4.730 -8.583 507 1HB SER 60 3HB SER 60 -1.672 -2.862 -7.846 508 2HB SER 60 2HB SER 60 -2.924 -4.032 -7.441 509 HG SER 60 HG SER 60 -1.247 -5.012 -6.066 510 H LYS 61 H LYS 61 -3.436 -6.100 -8.822 511 HA LYS 61 HA LYS 61 -3.045 -8.260 -6.980 512 1HB LYS 61 3HB LYS 61 -5.200 -7.321 -8.254 513 2HB LYS 61 2HB LYS 61 -4.782 -8.605 -9.391 514 1HG LYS 61 2HG LYS 61 -5.813 -10.058 -8.009 515 2HG LYS 61 1HG LYS 61 -4.523 -9.766 -6.842 516 1HD LYS 61 2HD LYS 61 -5.899 -7.661 -6.180 517 2HD LYS 61 1HD LYS 61 -7.233 -8.460 -7.012 518 1HE LYS 61 2HE LYS 61 -7.221 -8.992 -4.591 519 2HE LYS 61 1HE LYS 61 -6.975 -10.434 -5.578 520 1HZ LYS 61 1HZ LYS 61 -4.656 -8.894 -4.616 521 2HZ LYS 61 2HZ LYS 61 -4.755 -10.537 -5.037 522 3HZ LYS 61 3HZ LYS 61 -5.429 -9.991 -3.577 523 H GLN 62 H GLN 62 -2.327 -7.789 -10.392 524 HA GLN 62 HA GLN 62 -1.615 -10.534 -10.952 525 1HB GLN 62 3HB GLN 62 -0.507 -8.093 -12.359 526 2HB GLN 62 2HB GLN 62 -0.762 -9.707 -13.024 527 1HG GLN 62 2HG GLN 62 -3.227 -8.612 -11.933 528 2HG GLN 62 1HG GLN 62 -2.546 -7.556 -13.170 529 1HE2 GLN 62 1HE2 GLN 62 -2.325 -11.137 -12.975 530 2HE2 GLN 62 2HE2 GLN 62 -3.119 -11.418 -14.448 531 H HIS 63 H HIS 63 0.178 -7.649 -9.909 532 HA HIS 63 HA HIS 63 2.815 -8.513 -10.062 533 1HB HIS 63 3HB HIS 63 2.243 -6.321 -9.149 534 2HB HIS 63 2HB HIS 63 1.465 -7.072 -7.759 535 HD1 HIS 63 HD1 HIS 63 4.597 -8.671 -8.913 536 HD2 HIS 63 HD2 HIS 63 3.501 -5.784 -6.112 537 HE1 HIS 63 HE1 HIS 63 6.589 -8.369 -7.377 538 H LEU 64 H LEU 64 0.833 -8.913 -7.135 539 HA LEU 64 HA LEU 64 2.466 -10.777 -5.826 540 1HB LEU 64 3HB LEU 64 -0.452 -10.154 -5.785 541 2HB LEU 64 2HB LEU 64 0.064 -11.659 -5.027 542 HG LEU 64 HG LEU 64 1.931 -9.755 -4.168 543 1HD1 LEU 64 1HD1 LEU 64 -0.125 -8.246 -5.064 544 2HD1 LEU 64 2HD1 LEU 64 0.853 -7.794 -3.668 545 3HD1 LEU 64 3HD1 LEU 64 -0.704 -8.590 -3.433 546 1HD2 LEU 64 1HD2 LEU 64 -0.343 -10.233 -2.360 547 2HD2 LEU 64 2HD2 LEU 64 1.359 -10.648 -2.158 548 3HD2 LEU 64 3HD2 LEU 64 0.299 -11.703 -3.091 549 H GLU 65 H GLU 65 0.048 -11.314 -8.342 550 HA GLU 65 HA GLU 65 0.086 -14.154 -8.282 551 1HB GLU 65 3HB GLU 65 -0.666 -12.087 -10.317 552 2HB GLU 65 2HB GLU 65 -0.562 -13.777 -10.810 553 1HG GLU 65 2HG GLU 65 -1.981 -14.070 -8.533 554 2HG GLU 65 1HG GLU 65 -2.504 -12.450 -8.993 555 H LYS 66 H LYS 66 2.480 -11.922 -9.183 556 HA LYS 66 HA LYS 66 3.751 -13.589 -11.218 557 1HB LYS 66 3HB LYS 66 4.620 -11.102 -9.731 558 2HB LYS 66 2HB LYS 66 5.635 -11.917 -10.912 559 1HG LYS 66 2HG LYS 66 3.071 -11.637 -12.097 560 2HG LYS 66 1HG LYS 66 3.482 -10.077 -11.384 561 1HD LYS 66 2HD LYS 66 5.219 -11.677 -13.288 562 2HD LYS 66 1HD LYS 66 4.341 -10.197 -13.678 563 1HE LYS 66 2HE LYS 66 5.896 -8.876 -12.688 564 2HE LYS 66 1HE LYS 66 6.062 -9.957 -11.305 565 1HZ LYS 66 1HZ LYS 66 8.103 -10.030 -12.434 566 2HZ LYS 66 2HZ LYS 66 7.362 -10.175 -13.956 567 3HZ LYS 66 3HZ LYS 66 7.313 -11.470 -12.857 568 H TYR 67 H TYR 67 4.508 -12.669 -7.864 569 HA TYR 67 HA TYR 67 5.991 -15.237 -7.635 570 1HB TYR 67 3HB TYR 67 7.834 -14.215 -6.482 571 2HB TYR 67 2HB TYR 67 7.608 -13.380 -8.013 572 HD1 TYR 67 HD1 TYR 67 9.187 -11.981 -6.149 573 HD2 TYR 67 HD2 TYR 67 4.895 -12.195 -6.264 574 HE1 TYR 67 HE1 TYR 67 9.038 -9.823 -4.942 575 HE2 TYR 67 HE2 TYR 67 4.755 -10.044 -5.063 576 HH TYR 67 HH TYR 67 6.392 -8.757 -3.404 577 HA PRO 68 HA PRO 68 3.129 -14.484 -4.059 578 1HB PRO 68 3HB PRO 68 1.480 -16.609 -4.582 579 2HB PRO 68 2HB PRO 68 1.199 -14.984 -5.214 580 1HG PRO 68 2HG PRO 68 2.205 -17.396 -6.643 581 2HG PRO 68 1HG PRO 68 1.316 -16.003 -7.281 582 1HD PRO 68 2HD PRO 68 4.098 -16.431 -7.521 583 2HD PRO 68 1HD PRO 68 3.251 -14.899 -7.826 584 H ASP 69 H ASP 69 3.546 -17.761 -5.324 585 HA ASP 69 HA ASP 69 4.374 -18.716 -2.693 586 1HB ASP 69 3HB ASP 69 3.176 -19.878 -5.034 587 2HB ASP 69 2HB ASP 69 4.622 -20.789 -4.601 588 H TYR 70 H TYR 70 6.089 -16.945 -4.482 589 HA TYR 70 HA TYR 70 8.277 -18.505 -5.436 590 1HB TYR 70 3HB TYR 70 7.553 -15.783 -5.421 591 2HB TYR 70 2HB TYR 70 9.105 -15.872 -4.586 592 HD1 TYR 70 HD1 TYR 70 11.043 -15.829 -5.878 593 HD2 TYR 70 HD2 TYR 70 7.407 -17.326 -7.604 594 HE1 TYR 70 HE1 TYR 70 12.198 -16.128 -8.052 595 HE2 TYR 70 HE2 TYR 70 8.562 -17.626 -9.779 596 HH TYR 70 HH TYR 70 10.928 -17.960 -10.570 Start of MODEL 18 1 HA PRO 1 HA PRO 1 12.258 -10.694 -4.516 2 1HB PRO 1 3HB PRO 1 10.622 -9.317 -6.426 3 2HB PRO 1 2HB PRO 1 11.959 -10.432 -6.740 4 1HG PRO 1 2HG PRO 1 9.159 -10.893 -7.116 5 2HG PRO 1 1HG PRO 1 10.499 -12.011 -7.414 6 1HD PRO 1 2HD PRO 1 8.571 -12.093 -5.292 7 2HD PRO 1 1HD PRO 1 9.897 -13.217 -5.606 8 H HIS 2 H HIS 2 8.873 -9.727 -4.053 9 HA HIS 2 HA HIS 2 7.976 -7.941 -2.832 10 1HB HIS 2 3HB HIS 2 10.784 -7.290 -1.929 11 2HB HIS 2 2HB HIS 2 9.265 -6.996 -1.085 12 HD1 HIS 2 HD1 HIS 2 11.856 -9.589 -1.663 13 HD2 HIS 2 HD2 HIS 2 8.055 -9.382 0.036 14 HE1 HIS 2 HE1 HIS 2 11.544 -11.729 -0.346 15 H ILE 3 H ILE 3 8.086 -7.325 -5.354 16 HA ILE 3 HA ILE 3 9.521 -4.715 -5.556 17 HB ILE 3 HB ILE 3 9.163 -5.163 -8.081 18 1HG1 ILE 3 2HG1 ILE 3 8.807 -7.938 -6.923 19 2HG1 ILE 3 1HG1 ILE 3 7.610 -7.033 -7.850 20 1HG2 ILE 3 1HG2 ILE 3 11.053 -7.024 -6.632 21 2HG2 ILE 3 2HG2 ILE 3 11.331 -5.286 -6.749 22 3HG2 ILE 3 3HG2 ILE 3 11.283 -6.272 -8.211 23 1HD1 ILE 3 1HD1 ILE 3 8.474 -8.136 -9.640 24 2HD1 ILE 3 2HD1 ILE 3 9.963 -8.543 -8.787 25 3HD1 ILE 3 3HD1 ILE 3 9.777 -6.954 -9.528 26 H LYS 4 H LYS 4 7.725 -3.583 -4.618 27 HA LYS 4 HA LYS 4 5.042 -3.838 -5.657 28 1HB LYS 4 3HB LYS 4 6.182 -1.459 -4.182 29 2HB LYS 4 2HB LYS 4 4.514 -2.021 -4.209 30 1HG LYS 4 2HG LYS 4 4.891 -3.648 -2.655 31 2HG LYS 4 1HG LYS 4 6.504 -4.004 -3.273 32 1HD LYS 4 2HD LYS 4 7.482 -2.622 -1.780 33 2HD LYS 4 1HD LYS 4 6.336 -1.325 -2.125 34 1HE LYS 4 2HE LYS 4 4.811 -2.063 -0.518 35 2HE LYS 4 1HE LYS 4 5.445 -3.709 -0.530 36 1HZ LYS 4 1HZ LYS 4 6.540 -1.309 0.773 37 2HZ LYS 4 2HZ LYS 4 7.578 -2.583 0.338 38 3HZ LYS 4 3HZ LYS 4 6.293 -2.858 1.415 39 H ARG 5 H ARG 5 5.732 -3.628 -8.002 40 HA ARG 5 HA ARG 5 6.724 -1.118 -9.006 41 1HB ARG 5 3HB ARG 5 6.153 -3.632 -10.085 42 2HB ARG 5 2HB ARG 5 5.016 -2.546 -10.886 43 1HG ARG 5 2HG ARG 5 6.787 -2.138 -12.269 44 2HG ARG 5 1HG ARG 5 7.276 -1.038 -10.977 45 1HD ARG 5 2HD ARG 5 8.184 -3.562 -10.156 46 2HD ARG 5 1HD ARG 5 8.558 -3.482 -11.878 47 HE ARG 5 HE ARG 5 9.400 -1.304 -10.010 48 1HH1 ARG 5 1HH1 ARG 5 10.628 -4.114 -11.250 49 2HH1 ARG 5 2HH1 ARG 5 11.957 -3.393 -12.095 50 1HH2 ARG 5 1HH2 ARG 5 10.830 -0.146 -11.634 51 2HH2 ARG 5 2HH2 ARG 5 12.071 -1.146 -12.313 52 HA PRO 6 HA PRO 6 2.123 -0.135 -9.824 53 1HB PRO 6 3HB PRO 6 0.255 -1.898 -8.844 54 2HB PRO 6 2HB PRO 6 0.968 -2.024 -10.461 55 1HG PRO 6 2HG PRO 6 1.497 -3.682 -8.046 56 2HG PRO 6 1HG PRO 6 1.701 -4.094 -9.757 57 1HD PRO 6 2HD PRO 6 3.762 -3.360 -7.948 58 2HD PRO 6 1HD PRO 6 3.911 -3.511 -9.712 59 H MET 7 H MET 7 3.222 1.103 -7.899 60 HA MET 7 HA MET 7 1.954 0.640 -5.296 61 1HB MET 7 3HB MET 7 4.101 2.394 -6.352 62 2HB MET 7 2HB MET 7 3.365 2.772 -4.803 63 1HG MET 7 2HG MET 7 4.086 -0.064 -5.168 64 2HG MET 7 1HG MET 7 5.459 1.038 -5.141 65 1HE MET 7 1HE MET 7 2.154 1.232 -1.970 66 2HE MET 7 2HE MET 7 2.086 0.130 -3.343 67 3HE MET 7 3HE MET 7 2.107 1.869 -3.620 68 H ASN 8 H ASN 8 1.805 2.856 -8.006 69 HA ASN 8 HA ASN 8 -0.676 4.000 -6.916 70 1HB ASN 8 3HB ASN 8 1.202 5.405 -6.104 71 2HB ASN 8 2HB ASN 8 1.610 5.728 -7.771 72 1HD2 ASN 8 1HD2 ASN 8 -1.578 5.590 -6.115 73 2HD2 ASN 8 2HD2 ASN 8 -2.052 7.152 -6.579 74 H ALA 9 H ALA 9 -1.578 5.581 -8.601 75 HA ALA 9 HA ALA 9 -1.847 4.225 -11.109 76 1HB ALA 9 1HB ALA 9 -3.160 6.151 -11.785 77 2HB ALA 9 2HB ALA 9 -2.467 7.120 -10.484 78 3HB ALA 9 3HB ALA 9 -3.544 5.777 -10.105 79 H PHE 10 H PHE 10 0.466 6.381 -9.856 80 HA PHE 10 HA PHE 10 1.338 7.623 -12.273 81 1HB PHE 10 3HB PHE 10 1.963 8.689 -10.332 82 2HB PHE 10 2HB PHE 10 2.422 7.197 -9.533 83 HD1 PHE 10 HD1 PHE 10 3.374 9.192 -12.565 84 HD2 PHE 10 HD2 PHE 10 4.695 6.783 -9.266 85 HE1 PHE 10 HE1 PHE 10 5.729 9.565 -13.230 86 HE2 PHE 10 HE2 PHE 10 7.053 7.155 -9.935 87 HZ PHE 10 HZ PHE 10 7.572 8.549 -11.918 88 H MET 11 H MET 11 3.024 5.117 -10.354 89 HA MET 11 HA MET 11 4.787 4.397 -12.470 90 1HB MET 11 3HB MET 11 3.717 2.590 -10.272 91 2HB MET 11 2HB MET 11 5.194 2.343 -11.204 92 1HG MET 11 2HG MET 11 5.221 4.986 -10.058 93 2HG MET 11 1HG MET 11 4.904 3.801 -8.790 94 1HE MET 11 1HE MET 11 5.869 1.915 -8.403 95 2HE MET 11 2HE MET 11 7.516 2.170 -7.831 96 3HE MET 11 3HE MET 11 7.226 1.139 -9.230 97 H VAL 12 H VAL 12 1.438 3.926 -11.951 98 HA VAL 12 HA VAL 12 1.209 1.592 -13.681 99 HB VAL 12 HB VAL 12 -0.681 3.403 -12.207 100 1HG1 VAL 12 1HG1 VAL 12 -1.571 1.335 -14.229 101 2HG1 VAL 12 2HG1 VAL 12 -1.673 3.080 -14.460 102 3HG1 VAL 12 3HG1 VAL 12 -2.614 2.304 -13.189 103 1HG2 VAL 12 1HG2 VAL 12 -1.489 1.059 -11.483 104 2HG2 VAL 12 2HG2 VAL 12 0.082 1.604 -10.895 105 3HG2 VAL 12 3HG2 VAL 12 -0.013 0.471 -12.243 106 H TRP 13 H TRP 13 0.416 5.021 -13.771 107 HA TRP 13 HA TRP 13 -0.356 4.853 -16.605 108 1HB TRP 13 3HB TRP 13 -1.519 6.593 -15.748 109 2HB TRP 13 2HB TRP 13 -0.398 6.799 -14.418 110 HD1 TRP 13 HD1 TRP 13 -1.547 8.365 -17.474 111 HE1 TRP 13 HE1 TRP 13 -0.058 10.364 -18.064 112 HE3 TRP 13 HE3 TRP 13 2.432 7.518 -14.389 113 HZ2 TRP 13 HZ2 TRP 13 2.491 11.456 -17.386 114 HZ3 TRP 13 HZ3 TRP 13 4.374 9.033 -14.396 115 HH2 TRP 13 HH2 TRP 13 4.408 11.000 -15.873 116 H ALA 14 H ALA 14 2.434 5.705 -14.740 117 HA ALA 14 HA ALA 14 3.940 6.911 -16.876 118 1HB ALA 14 1HB ALA 14 4.149 6.934 -14.190 119 2HB ALA 14 2HB ALA 14 5.487 7.327 -15.261 120 3HB ALA 14 3HB ALA 14 5.359 5.712 -14.570 121 H LYS 15 H LYS 15 3.408 3.583 -15.908 122 HA LYS 15 HA LYS 15 5.832 2.533 -16.970 123 1HB LYS 15 3HB LYS 15 4.885 0.394 -16.701 124 2HB LYS 15 2HB LYS 15 4.073 1.350 -15.465 125 1HG LYS 15 2HG LYS 15 2.101 1.577 -16.809 126 2HG LYS 15 1HG LYS 15 2.917 0.930 -18.229 127 1HD LYS 15 2HD LYS 15 3.310 -1.178 -16.730 128 2HD LYS 15 1HD LYS 15 1.983 -0.522 -15.772 129 1HE LYS 15 2HE LYS 15 0.697 -0.335 -17.995 130 2HE LYS 15 1HE LYS 15 1.945 -1.385 -18.666 131 1HZ LYS 15 1HZ LYS 15 -0.070 -2.541 -17.780 132 2HZ LYS 15 2HZ LYS 15 0.408 -2.057 -16.223 133 3HZ LYS 15 3HZ LYS 15 1.404 -3.083 -17.141 134 H ASP 16 H ASP 16 2.810 3.497 -18.377 135 HA ASP 16 HA ASP 16 3.613 2.404 -20.996 136 1HB ASP 16 3HB ASP 16 1.147 2.565 -19.940 137 2HB ASP 16 2HB ASP 16 1.211 4.155 -20.703 138 H GLU 17 H GLU 17 3.246 5.373 -19.219 139 HA GLU 17 HA GLU 17 3.737 7.196 -21.372 140 1HB GLU 17 3HB GLU 17 3.324 7.242 -18.550 141 2HB GLU 17 2HB GLU 17 4.771 8.179 -18.899 142 1HG GLU 17 2HG GLU 17 2.599 8.649 -20.802 143 2HG GLU 17 1HG GLU 17 2.178 9.053 -19.143 144 H ARG 18 H ARG 18 5.769 5.350 -19.180 145 HA ARG 18 HA ARG 18 8.247 6.611 -20.062 146 1HB ARG 18 3HB ARG 18 9.332 5.180 -18.550 147 2HB ARG 18 2HB ARG 18 7.758 5.397 -17.796 148 1HG ARG 18 2HG ARG 18 8.005 3.084 -17.696 149 2HG ARG 18 1HG ARG 18 7.107 3.274 -19.201 150 1HD ARG 18 2HD ARG 18 8.928 2.753 -20.516 151 2HD ARG 18 1HD ARG 18 10.081 3.411 -19.357 152 HE ARG 18 HE ARG 18 9.265 0.669 -19.499 153 1HH1 ARG 18 1HH1 ARG 18 10.944 2.970 -17.707 154 2HH1 ARG 18 2HH1 ARG 18 10.968 2.055 -16.236 155 1HH2 ARG 18 1HH2 ARG 18 8.826 -0.401 -17.418 156 2HH2 ARG 18 2HH2 ARG 18 9.770 0.147 -16.073 157 H ARG 19 H ARG 19 6.334 3.758 -20.788 158 HA ARG 19 HA ARG 19 8.248 2.608 -22.601 159 1HB ARG 19 3HB ARG 19 6.719 0.934 -22.673 160 2HB ARG 19 2HB ARG 19 5.873 1.810 -21.423 161 1HG ARG 19 2HG ARG 19 4.141 1.679 -22.875 162 2HG ARG 19 1HG ARG 19 4.892 3.077 -23.615 163 1HD ARG 19 2HD ARG 19 5.764 1.860 -25.385 164 2HD ARG 19 1HD ARG 19 5.849 0.369 -24.447 165 HE ARG 19 HE ARG 19 3.538 1.308 -25.971 166 1HH1 ARG 19 1HH2 ARG 19 4.825 -1.488 -25.071 167 2HH1 ARG 19 2HH2 ARG 19 3.429 -2.175 -24.310 168 1HH2 ARG 19 1HH1 ARG 19 1.665 0.814 -24.254 169 2HH2 ARG 19 2HH1 ARG 19 1.637 -0.869 -23.846 170 H LYS 20 H LYS 20 5.596 4.886 -22.750 171 HA LYS 20 HA LYS 20 5.639 5.203 -25.601 172 1HB LYS 20 3HB LYS 20 3.760 5.817 -23.914 173 2HB LYS 20 2HB LYS 20 4.669 7.312 -23.693 174 1HG LYS 20 2HG LYS 20 3.506 8.065 -25.486 175 2HG LYS 20 1HG LYS 20 4.607 7.067 -26.437 176 1HD LYS 20 2HD LYS 20 2.839 5.171 -25.727 177 2HD LYS 20 1HD LYS 20 1.767 6.572 -25.691 178 1HE LYS 20 2HE LYS 20 3.445 6.687 -28.036 179 2HE LYS 20 1HE LYS 20 2.617 5.131 -27.969 180 1HZ LYS 20 1HZ LYS 20 0.981 6.338 -28.918 181 2HZ LYS 20 2HZ LYS 20 1.517 7.813 -28.266 182 3HZ LYS 20 3HZ LYS 20 0.625 6.732 -27.307 183 H ILE 21 H ILE 21 7.522 6.440 -22.996 184 HA ILE 21 HA ILE 21 8.626 8.578 -24.712 185 HB ILE 21 HB ILE 21 8.200 8.273 -21.883 186 1HG1 ILE 21 2HG1 ILE 21 9.439 10.758 -22.581 187 2HG1 ILE 21 1HG1 ILE 21 8.354 10.284 -23.890 188 1HG2 ILE 21 1HG2 ILE 21 11.057 8.763 -22.746 189 2HG2 ILE 21 2HG2 ILE 21 10.465 7.583 -21.575 190 3HG2 ILE 21 3HG2 ILE 21 10.425 9.303 -21.191 191 1HD1 ILE 21 1HD1 ILE 21 7.340 11.632 -21.928 192 2HD1 ILE 21 2HD1 ILE 21 7.478 10.133 -21.009 193 3HD1 ILE 21 3HD1 ILE 21 6.477 10.189 -22.460 194 H LEU 22 H LEU 22 9.653 5.726 -22.920 195 HA LEU 22 HA LEU 22 12.389 5.718 -23.450 196 1HB LEU 22 3HB LEU 22 10.755 4.004 -22.293 197 2HB LEU 22 2HB LEU 22 10.803 3.227 -23.873 198 HG LEU 22 HG LEU 22 13.342 3.425 -23.722 199 1HD1 LEU 22 1HD1 LEU 22 13.689 3.286 -20.989 200 2HD1 LEU 22 2HD1 LEU 22 12.468 4.549 -21.153 201 3HD1 LEU 22 3HD1 LEU 22 14.018 4.706 -21.980 202 1HD2 LEU 22 1HD2 LEU 22 13.453 1.365 -22.440 203 2HD2 LEU 22 2HD2 LEU 22 11.987 1.364 -23.423 204 3HD2 LEU 22 3HD2 LEU 22 11.892 1.716 -21.696 205 H GLN 23 H GLN 23 9.691 5.053 -25.543 206 HA GLN 23 HA GLN 23 11.158 3.934 -27.732 207 1HB GLN 23 3HB GLN 23 9.170 4.501 -29.043 208 2HB GLN 23 2HB GLN 23 8.697 3.793 -27.504 209 1HG GLN 23 2HG GLN 23 8.484 6.062 -26.565 210 2HG GLN 23 1HG GLN 23 8.824 6.721 -28.160 211 1HE2 GLN 23 1HE2 GLN 23 6.753 3.947 -27.154 212 2HE2 GLN 23 2HE2 GLN 23 5.347 4.534 -27.902 213 H ALA 24 H ALA 24 10.230 7.029 -26.657 214 HA ALA 24 HA ALA 24 11.442 8.472 -28.886 215 1HB ALA 24 1HB ALA 24 9.556 9.594 -28.019 216 2HB ALA 24 2HB ALA 24 10.910 10.476 -27.314 217 3HB ALA 24 3HB ALA 24 10.036 9.286 -26.350 218 H PHE 25 H PHE 25 12.418 7.107 -25.937 219 HA PHE 25 HA PHE 25 15.094 8.235 -26.230 220 1HB PHE 25 3HB PHE 25 13.663 8.498 -23.573 221 2HB PHE 25 2HB PHE 25 15.233 9.163 -24.020 222 HD1 PHE 25 HD1 PHE 25 11.582 9.513 -24.387 223 HD2 PHE 25 HD2 PHE 25 15.415 11.123 -25.467 224 HE1 PHE 25 HE1 PHE 25 10.484 11.586 -25.197 225 HE2 PHE 25 HE2 PHE 25 14.317 13.195 -26.278 226 HZ PHE 25 HZ PHE 25 11.852 13.426 -26.141 227 HA PRO 26 HA PRO 26 14.740 3.782 -24.980 228 1HB PRO 26 3HB PRO 26 16.489 2.940 -26.934 229 2HB PRO 26 2HB PRO 26 14.734 3.050 -27.153 230 1HG PRO 26 2HG PRO 26 16.874 4.924 -28.114 231 2HG PRO 26 1HG PRO 26 15.332 4.497 -28.878 232 1HD PRO 26 2HD PRO 26 15.746 6.866 -27.485 233 2HD PRO 26 1HD PRO 26 14.159 6.113 -27.706 234 H ASP 27 H ASP 27 17.011 6.230 -24.882 235 HA ASP 27 HA ASP 27 19.111 4.482 -23.711 236 1HB ASP 27 3HB ASP 27 19.307 6.645 -25.454 237 2HB ASP 27 2HB ASP 27 19.769 7.288 -23.884 238 H MET 28 H MET 28 16.734 6.889 -23.131 239 HA MET 28 HA MET 28 17.552 7.856 -20.590 240 1HB MET 28 3HB MET 28 15.494 8.444 -22.270 241 2HB MET 28 2HB MET 28 14.680 7.529 -21.006 242 1HG MET 28 2HG MET 28 15.237 9.026 -19.344 243 2HG MET 28 1HG MET 28 16.650 9.622 -20.209 244 1HE MET 28 1HE MET 28 15.272 11.388 -23.189 245 2HE MET 28 2HE MET 28 16.507 10.365 -22.462 246 3HE MET 28 3HE MET 28 16.356 12.045 -21.955 247 H HIS 29 H HIS 29 18.261 6.155 -19.391 248 HA HIS 29 HA HIS 29 16.677 3.765 -19.093 249 1HB HIS 29 3HB HIS 29 18.446 2.953 -17.776 250 2HB HIS 29 2HB HIS 29 19.219 4.009 -18.955 251 HD1 HIS 29 HD1 HIS 29 20.283 3.341 -15.983 252 HD2 HIS 29 HD2 HIS 29 18.398 6.845 -17.218 253 HE1 HIS 29 HE1 HIS 29 20.995 5.148 -14.358 254 H ASN 30 H ASN 30 16.487 3.038 -16.586 255 HA ASN 30 HA ASN 30 14.221 4.209 -15.529 256 1HB ASN 30 3HB ASN 30 16.481 2.706 -14.243 257 2HB ASN 30 2HB ASN 30 15.177 3.350 -13.245 258 1HD2 ASN 30 1HD2 ASN 30 15.007 1.949 -16.567 259 2HD2 ASN 30 2HD2 ASN 30 13.921 0.716 -16.147 260 H SER 31 H SER 31 17.404 4.785 -14.004 261 HA SER 31 HA SER 31 16.765 6.820 -12.291 262 1HB SER 31 3HB SER 31 19.116 5.798 -13.292 263 2HB SER 31 2HB SER 31 19.184 7.502 -13.713 264 HG SER 31 HG SER 31 18.915 8.032 -11.584 265 H ASN 32 H ASN 32 16.628 7.144 -15.771 266 HA ASN 32 HA ASN 32 16.480 10.090 -15.438 267 1HB ASN 32 3HB ASN 32 17.334 8.322 -17.597 268 2HB ASN 32 2HB ASN 32 16.379 9.702 -18.119 269 1HD2 ASN 32 1HD2 ASN 32 18.475 9.729 -15.254 270 2HD2 ASN 32 2HD2 ASN 32 19.589 10.852 -15.869 271 H ILE 33 H ILE 33 14.782 7.557 -17.303 272 HA ILE 33 HA ILE 33 12.545 9.091 -18.021 273 HB ILE 33 HB ILE 33 12.717 6.156 -17.297 274 1HG1 ILE 33 2HG1 ILE 33 14.044 6.980 -19.254 275 2HG1 ILE 33 1HG1 ILE 33 12.772 5.848 -19.715 276 1HG2 ILE 33 1HG2 ILE 33 10.563 6.583 -19.048 277 2HG2 ILE 33 2HG2 ILE 33 10.401 7.837 -17.816 278 3HG2 ILE 33 3HG2 ILE 33 10.458 6.138 -17.345 279 1HD1 ILE 33 1HD1 ILE 33 12.928 8.803 -20.158 280 2HD1 ILE 33 2HD1 ILE 33 11.340 8.070 -19.945 281 3HD1 ILE 33 3HD1 ILE 33 12.388 7.533 -21.255 282 H SER 34 H SER 34 13.384 7.644 -14.958 283 HA SER 34 HA SER 34 10.902 7.719 -13.627 284 1HB SER 34 3HB SER 34 13.634 7.384 -12.935 285 2HB SER 34 2HB SER 34 12.976 8.611 -11.859 286 HG SER 34 HG SER 34 11.165 7.058 -11.613 287 H LYS 35 H LYS 35 13.381 10.315 -13.776 288 HA LYS 35 HA LYS 35 11.730 12.181 -12.369 289 1HB LYS 35 3HB LYS 35 13.342 13.853 -12.984 290 2HB LYS 35 2HB LYS 35 14.250 12.371 -12.694 291 1HG LYS 35 2HG LYS 35 14.558 11.973 -15.006 292 2HG LYS 35 1HG LYS 35 13.289 13.112 -15.458 293 1HD LYS 35 2HD LYS 35 14.920 14.771 -14.080 294 2HD LYS 35 1HD LYS 35 16.112 13.626 -14.695 295 1HE LYS 35 2HE LYS 35 15.747 14.212 -16.893 296 2HE LYS 35 1HE LYS 35 14.051 14.610 -16.614 297 1HZ LYS 35 1HZ LYS 35 15.571 16.376 -15.100 298 2HZ LYS 35 2HZ LYS 35 14.637 16.723 -16.477 299 3HZ LYS 35 3HZ LYS 35 16.281 16.330 -16.641 300 H ILE 36 H ILE 36 12.015 11.088 -15.619 301 HA ILE 36 HA ILE 36 10.586 13.207 -16.882 302 HB ILE 36 HB ILE 36 11.331 10.434 -17.582 303 1HG1 ILE 36 2HG1 ILE 36 12.027 11.919 -19.690 304 2HG1 ILE 36 1HG1 ILE 36 11.922 13.207 -18.490 305 1HG2 ILE 36 1HG2 ILE 36 8.995 10.619 -18.359 306 2HG2 ILE 36 2HG2 ILE 36 10.114 10.584 -19.721 307 3HG2 ILE 36 3HG2 ILE 36 9.403 12.113 -19.204 308 1HD1 ILE 36 1HD1 ILE 36 14.205 12.298 -18.571 309 2HD1 ILE 36 2HD1 ILE 36 13.584 10.682 -18.236 310 3HD1 ILE 36 3HD1 ILE 36 13.456 11.945 -17.013 311 H LEU 37 H LEU 37 9.562 9.890 -16.143 312 HA LEU 37 HA LEU 37 6.811 10.111 -16.509 313 1HB LEU 37 3HB LEU 37 8.477 8.617 -14.505 314 2HB LEU 37 2HB LEU 37 6.724 8.481 -14.527 315 HG LEU 37 HG LEU 37 8.651 7.794 -16.750 316 1HD1 LEU 37 1HD1 LEU 37 7.461 6.375 -14.608 317 2HD1 LEU 37 2HD1 LEU 37 8.438 5.728 -15.926 318 3HD1 LEU 37 3HD1 LEU 37 6.687 5.825 -16.091 319 1HD2 LEU 37 1HD2 LEU 37 5.719 8.386 -16.782 320 2HD2 LEU 37 2HD2 LEU 37 6.271 7.003 -17.727 321 3HD2 LEU 37 3HD2 LEU 37 6.920 8.610 -18.053 322 H GLY 38 H GLY 38 8.479 10.437 -13.399 323 1HA GLY 38 2HA GLY 38 6.279 11.521 -11.970 324 2HA GLY 38 1HA GLY 38 7.968 11.726 -11.505 325 H SER 39 H SER 39 7.995 12.921 -14.527 326 HA SER 39 HA SER 39 7.435 15.645 -13.565 327 1HB SER 39 3HB SER 39 9.670 15.511 -14.422 328 2HB SER 39 2HB SER 39 9.149 14.558 -15.807 329 HG SER 39 HG SER 39 8.478 16.323 -16.778 330 H ARG 40 H ARG 40 6.375 13.090 -15.579 331 HA ARG 40 HA ARG 40 4.767 14.883 -17.259 332 1HB ARG 40 3HB ARG 40 4.391 11.974 -17.355 333 2HB ARG 40 2HB ARG 40 4.478 13.133 -18.639 334 1HG ARG 40 2HG ARG 40 6.975 13.379 -17.850 335 2HG ARG 40 1HG ARG 40 6.690 11.750 -17.260 336 1HD ARG 40 2HD ARG 40 7.598 11.795 -19.594 337 2HD ARG 40 1HD ARG 40 6.026 11.005 -19.480 338 HE ARG 40 HE ARG 40 5.501 12.606 -21.154 339 1HH1 ARG 40 1HH2 ARG 40 7.972 14.024 -19.381 340 2HH1 ARG 40 2HH2 ARG 40 7.356 15.641 -19.476 341 1HH2 ARG 40 1HH1 ARG 40 4.338 14.691 -20.898 342 2HH2 ARG 40 2HH1 ARG 40 5.301 16.018 -20.338 343 H TRP 41 H TRP 41 4.661 12.691 -14.611 344 HA TRP 41 HA TRP 41 1.850 12.475 -14.238 345 1HB TRP 41 3HB TRP 41 3.682 11.104 -13.167 346 2HB TRP 41 2HB TRP 41 3.986 12.480 -12.120 347 HD1 TRP 41 HD1 TRP 41 2.540 12.617 -10.030 348 HE1 TRP 41 HE1 TRP 41 0.360 11.471 -9.203 349 HE3 TRP 41 HE3 TRP 41 1.300 10.111 -14.211 350 HZ2 TRP 41 HZ2 TRP 41 -1.657 9.687 -10.265 351 HZ3 TRP 41 HZ3 TRP 41 -0.725 8.686 -14.305 352 HH2 TRP 41 HH2 TRP 41 -2.201 8.498 -12.394 353 H LYS 42 H LYS 42 4.246 14.512 -12.553 354 HA LYS 42 HA LYS 42 2.315 16.057 -11.139 355 1HB LYS 42 3HB LYS 42 5.144 16.658 -12.056 356 2HB LYS 42 2HB LYS 42 4.190 17.825 -11.141 357 1HG LYS 42 2HG LYS 42 3.808 15.650 -9.595 358 2HG LYS 42 1HG LYS 42 5.396 15.256 -10.253 359 1HD LYS 42 2HD LYS 42 4.895 18.021 -9.197 360 2HD LYS 42 1HD LYS 42 5.204 16.709 -8.060 361 1HE LYS 42 2HE LYS 42 7.226 16.179 -9.662 362 2HE LYS 42 1HE LYS 42 7.019 17.859 -10.160 363 1HZ LYS 42 1HZ LYS 42 8.374 18.196 -8.404 364 2HZ LYS 42 2HZ LYS 42 7.910 16.767 -7.610 365 3HZ LYS 42 3HZ LYS 42 6.919 18.145 -7.537 366 H ALA 43 H ALA 43 3.481 15.993 -14.368 367 HA ALA 43 HA ALA 43 2.335 18.555 -15.098 368 1HB ALA 43 1HB ALA 43 3.964 16.451 -16.474 369 2HB ALA 43 2HB ALA 43 4.332 18.161 -16.253 370 3HB ALA 43 3HB ALA 43 3.119 17.665 -17.435 371 H MET 44 H MET 44 0.975 15.713 -14.404 372 HA MET 44 HA MET 44 -0.682 15.323 -16.781 373 1HB MET 44 3HB MET 44 -0.446 14.034 -14.094 374 2HB MET 44 2HB MET 44 -1.935 13.815 -15.000 375 1HG MET 44 2HG MET 44 0.375 13.453 -16.715 376 2HG MET 44 1HG MET 44 0.437 12.371 -15.330 377 1HE MET 44 1HE MET 44 -3.372 11.822 -15.249 378 2HE MET 44 2HE MET 44 -1.878 12.035 -14.337 379 3HE MET 44 3HE MET 44 -2.283 10.451 -14.996 380 H THR 45 H THR 45 -3.161 14.890 -15.867 381 HA THR 45 HA THR 45 -3.972 17.471 -14.626 382 HB THR 45 HB THR 45 -6.093 17.113 -16.081 383 HG1 THR 45 HG1 THR 45 -4.324 15.806 -17.805 384 1HG2 THR 45 1HG2 THR 45 -3.559 18.367 -16.564 385 2HG2 THR 45 2HG2 THR 45 -5.158 18.890 -17.094 386 3HG2 THR 45 3HG2 THR 45 -4.209 17.792 -18.098 387 H ASN 46 H ASN 46 -4.291 16.634 -12.627 388 HA ASN 46 HA ASN 46 -4.963 14.383 -11.470 389 1HB ASN 46 3HB ASN 46 -5.113 16.423 -10.225 390 2HB ASN 46 2HB ASN 46 -6.551 16.917 -11.118 391 1HD2 ASN 46 1HD2 ASN 46 -5.471 15.242 -8.324 392 2HD2 ASN 46 2HD2 ASN 46 -6.951 14.532 -7.894 393 H LEU 47 H LEU 47 -7.461 16.072 -13.360 394 HA LEU 47 HA LEU 47 -9.518 14.126 -12.887 395 1HB LEU 47 3HB LEU 47 -9.239 16.571 -14.296 396 2HB LEU 47 2HB LEU 47 -9.863 15.380 -15.437 397 HG LEU 47 HG LEU 47 -11.010 15.849 -12.672 398 1HD1 LEU 47 1HD1 LEU 47 -11.221 17.486 -14.942 399 2HD1 LEU 47 2HD1 LEU 47 -12.257 17.521 -13.515 400 3HD1 LEU 47 3HD1 LEU 47 -12.714 16.547 -14.912 401 1HD2 LEU 47 1HD2 LEU 47 -12.196 13.977 -13.073 402 2HD2 LEU 47 2HD2 LEU 47 -11.275 13.738 -14.559 403 3HD2 LEU 47 3HD2 LEU 47 -12.783 14.652 -14.593 404 H GLU 48 H GLU 48 -6.780 14.102 -14.996 405 HA GLU 48 HA GLU 48 -7.912 12.170 -16.877 406 1HB GLU 48 3HB GLU 48 -6.227 13.868 -17.558 407 2HB GLU 48 2HB GLU 48 -5.044 13.068 -16.523 408 1HG GLU 48 2HG GLU 48 -4.742 12.255 -18.788 409 2HG GLU 48 1HG GLU 48 -5.435 10.953 -17.821 410 H LYS 49 H LYS 49 -6.129 12.006 -13.872 411 HA LYS 49 HA LYS 49 -5.130 9.302 -14.363 412 1HB LYS 49 3HB LYS 49 -5.338 10.093 -11.547 413 2HB LYS 49 2HB LYS 49 -3.938 9.565 -12.467 414 1HG LYS 49 2HG LYS 49 -3.987 11.915 -13.536 415 2HG LYS 49 1HG LYS 49 -5.064 12.347 -12.211 416 1HD LYS 49 2HD LYS 49 -3.003 10.949 -10.967 417 2HD LYS 49 1HD LYS 49 -2.176 11.932 -12.174 418 1HE LYS 49 2HE LYS 49 -3.084 13.950 -11.291 419 2HE LYS 49 1HE LYS 49 -4.264 13.078 -10.314 420 1HZ LYS 49 1HZ LYS 49 -2.786 13.182 -8.682 421 2HZ LYS 49 2HZ LYS 49 -1.558 13.743 -9.715 422 3HZ LYS 49 3HZ LYS 49 -1.837 12.075 -9.546 423 H GLN 50 H GLN 50 -8.166 9.935 -14.363 424 HA GLN 50 HA GLN 50 -9.351 8.647 -12.119 425 1HB GLN 50 3HB GLN 50 -10.693 8.200 -14.722 426 2HB GLN 50 2HB GLN 50 -11.336 8.843 -13.217 427 1HG GLN 50 2HG GLN 50 -10.088 10.982 -13.685 428 2HG GLN 50 1HG GLN 50 -9.686 10.326 -15.273 429 1HE2 GLN 50 1HE2 GLN 50 -12.047 9.090 -16.061 430 2HE2 GLN 50 2HE2 GLN 50 -13.301 10.230 -16.157 431 HA PRO 51 HA PRO 51 -9.246 4.624 -14.716 432 1HB PRO 51 3HB PRO 51 -7.686 4.614 -16.962 433 2HB PRO 51 2HB PRO 51 -9.391 5.065 -16.933 434 1HG PRO 51 2HG PRO 51 -7.002 6.821 -17.196 435 2HG PRO 51 1HG PRO 51 -8.658 7.090 -17.768 436 1HD PRO 51 2HD PRO 51 -7.484 8.220 -15.454 437 2HD PRO 51 1HD PRO 51 -9.211 8.243 -15.865 438 H TYR 52 H TYR 52 -6.096 6.323 -14.930 439 HA TYR 52 HA TYR 52 -4.525 3.955 -14.552 440 1HB TYR 52 3HB TYR 52 -3.667 6.646 -13.511 441 2HB TYR 52 2HB TYR 52 -2.689 5.397 -14.285 442 HD1 TYR 52 HD1 TYR 52 -4.247 4.708 -16.645 443 HD2 TYR 52 HD2 TYR 52 -3.506 8.544 -14.874 444 HE1 TYR 52 HE1 TYR 52 -4.600 5.785 -18.841 445 HE2 TYR 52 HE2 TYR 52 -3.858 9.630 -17.067 446 HH TYR 52 HH TYR 52 -4.760 9.279 -19.174 447 H TYR 53 H TYR 53 -6.641 5.646 -12.533 448 HA TYR 53 HA TYR 53 -5.230 4.976 -10.068 449 1HB TYR 53 3HB TYR 53 -7.485 6.616 -10.831 450 2HB TYR 53 2HB TYR 53 -7.912 5.576 -9.474 451 HD1 TYR 53 HD1 TYR 53 -6.630 8.700 -10.230 452 HD2 TYR 53 HD2 TYR 53 -5.785 5.300 -7.750 453 HE1 TYR 53 HE1 TYR 53 -5.298 10.136 -8.719 454 HE2 TYR 53 HE2 TYR 53 -4.455 6.734 -6.236 455 HH TYR 53 HH TYR 53 -4.108 10.235 -6.849 456 H GLU 54 H GLU 54 -8.324 3.984 -11.538 457 HA GLU 54 HA GLU 54 -8.625 1.731 -9.781 458 1HB GLU 54 3HB GLU 54 -9.936 1.713 -12.421 459 2HB GLU 54 2HB GLU 54 -10.602 1.323 -10.849 460 1HG GLU 54 2HG GLU 54 -10.129 3.924 -10.433 461 2HG GLU 54 1HG GLU 54 -10.337 3.974 -12.184 462 H GLU 55 H GLU 55 -7.209 2.114 -12.999 463 HA GLU 55 HA GLU 55 -6.991 -0.661 -13.586 464 1HB GLU 55 3HB GLU 55 -5.839 1.817 -14.586 465 2HB GLU 55 2HB GLU 55 -4.767 0.431 -14.759 466 1HG GLU 55 2HG GLU 55 -7.423 -0.378 -15.458 467 2HG GLU 55 1HG GLU 55 -7.040 1.096 -16.347 468 H GLN 56 H GLN 56 -5.362 1.308 -11.320 469 HA GLN 56 HA GLN 56 -3.049 -0.489 -11.062 470 1HB GLN 56 3HB GLN 56 -2.876 1.957 -10.649 471 2HB GLN 56 2HB GLN 56 -3.943 1.745 -9.286 472 1HG GLN 56 2HG GLN 56 -1.484 0.053 -9.480 473 2HG GLN 56 1HG GLN 56 -1.353 1.709 -8.884 474 1HE2 GLN 56 1HE2 GLN 56 -3.746 1.973 -7.432 475 2HE2 GLN 56 2HE2 GLN 56 -3.753 0.869 -6.143 476 H ALA 57 H ALA 57 -5.862 0.463 -9.181 477 HA ALA 57 HA ALA 57 -5.548 -1.261 -6.995 478 1HB ALA 57 1HB ALA 57 -8.312 -1.197 -7.573 479 2HB ALA 57 2HB ALA 57 -7.657 0.346 -8.121 480 3HB ALA 57 3HB ALA 57 -7.432 -0.162 -6.448 481 H ARG 58 H ARG 58 -6.740 -1.931 -10.248 482 HA ARG 58 HA ARG 58 -7.801 -4.549 -9.626 483 1HB ARG 58 3HB ARG 58 -6.875 -3.249 -12.197 484 2HB ARG 58 2HB ARG 58 -7.509 -4.895 -12.145 485 1HG ARG 58 2HG ARG 58 -9.085 -2.713 -10.833 486 2HG ARG 58 1HG ARG 58 -9.128 -2.845 -12.592 487 1HD ARG 58 2HD ARG 58 -9.686 -5.304 -12.282 488 2HD ARG 58 1HD ARG 58 -9.905 -4.957 -10.568 489 HE ARG 58 HE ARG 58 -11.522 -3.088 -11.760 490 1HH1 ARG 58 1HH1 ARG 58 -12.592 -5.522 -10.320 491 2HH1 ARG 58 2HH1 ARG 58 -13.573 -6.249 -11.547 492 1HH2 ARG 58 1HH2 ARG 58 -12.148 -4.445 -14.138 493 2HH2 ARG 58 2HH2 ARG 58 -13.323 -5.642 -13.704 494 H LEU 59 H LEU 59 -4.851 -3.609 -11.381 495 HA LEU 59 HA LEU 59 -3.640 -6.191 -11.226 496 1HB LEU 59 3HB LEU 59 -1.525 -4.911 -11.730 497 2HB LEU 59 2HB LEU 59 -2.843 -4.600 -12.854 498 HG LEU 59 HG LEU 59 -3.357 -2.668 -11.040 499 1HD1 LEU 59 1HD1 LEU 59 -0.458 -3.403 -10.784 500 2HD1 LEU 59 2HD1 LEU 59 -1.600 -2.915 -9.531 501 3HD1 LEU 59 3HD1 LEU 59 -0.940 -1.712 -10.639 502 1HD2 LEU 59 1HD2 LEU 59 -3.027 -2.363 -13.475 503 2HD2 LEU 59 2HD2 LEU 59 -1.285 -2.505 -13.256 504 3HD2 LEU 59 3HD2 LEU 59 -2.150 -1.134 -12.562 505 H SER 60 H SER 60 -4.190 -3.847 -8.823 506 HA SER 60 HA SER 60 -1.840 -4.432 -7.193 507 1HB SER 60 3HB SER 60 -2.564 -2.551 -6.174 508 2HB SER 60 2HB SER 60 -4.045 -2.584 -7.126 509 HG SER 60 HG SER 60 -5.066 -3.559 -5.521 510 H LYS 61 H LYS 61 -5.190 -5.494 -7.393 511 HA LYS 61 HA LYS 61 -5.236 -7.138 -5.059 512 1HB LYS 61 3HB LYS 61 -7.261 -6.513 -6.337 513 2HB LYS 61 2HB LYS 61 -6.701 -7.492 -7.693 514 1HG LYS 61 2HG LYS 61 -8.390 -8.629 -6.163 515 2HG LYS 61 1HG LYS 61 -6.889 -9.520 -6.421 516 1HD LYS 61 2HD LYS 61 -6.078 -9.036 -4.281 517 2HD LYS 61 1HD LYS 61 -7.115 -7.619 -4.103 518 1HE LYS 61 2HE LYS 61 -9.088 -9.284 -4.192 519 2HE LYS 61 1HE LYS 61 -7.878 -10.535 -3.904 520 1HZ LYS 61 1HZ LYS 61 -8.315 -10.032 -1.769 521 2HZ LYS 61 2HZ LYS 61 -8.875 -8.467 -2.122 522 3HZ LYS 61 3HZ LYS 61 -7.207 -8.776 -2.037 523 H GLN 62 H GLN 62 -4.350 -7.802 -8.429 524 HA GLN 62 HA GLN 62 -3.729 -10.590 -7.981 525 1HB GLN 62 3HB GLN 62 -3.317 -8.604 -10.170 526 2HB GLN 62 2HB GLN 62 -2.280 -10.032 -10.172 527 1HG GLN 62 2HG GLN 62 -5.077 -10.685 -9.616 528 2HG GLN 62 1HG GLN 62 -4.862 -9.908 -11.186 529 1HE2 GLN 62 1HE2 GLN 62 -5.598 -12.631 -11.103 530 2HE2 GLN 62 2HE2 GLN 62 -4.292 -13.582 -11.627 531 H HIS 63 H HIS 63 -2.071 -7.646 -7.295 532 HA HIS 63 HA HIS 63 0.625 -8.670 -7.418 533 1HB HIS 63 3HB HIS 63 -0.003 -6.230 -7.412 534 2HB HIS 63 2HB HIS 63 -0.394 -6.399 -5.700 535 HD1 HIS 63 HD1 HIS 63 2.280 -8.633 -6.060 536 HD2 HIS 63 HD2 HIS 63 2.082 -4.470 -6.007 537 HE1 HIS 63 HE1 HIS 63 4.606 -7.815 -5.480 538 H LEU 64 H LEU 64 -1.270 -7.784 -4.524 539 HA LEU 64 HA LEU 64 0.348 -9.018 -2.624 540 1HB LEU 64 3HB LEU 64 -2.675 -8.989 -2.511 541 2HB LEU 64 2HB LEU 64 -1.555 -8.984 -1.153 542 HG LEU 64 HG LEU 64 -0.818 -6.801 -2.794 543 1HD1 LEU 64 1HD1 LEU 64 -3.121 -7.070 -3.776 544 2HD1 LEU 64 2HD1 LEU 64 -2.867 -5.520 -2.973 545 3HD1 LEU 64 3HD1 LEU 64 -3.784 -6.792 -2.166 546 1HD2 LEU 64 1HD2 LEU 64 -1.671 -7.382 -0.071 547 2HD2 LEU 64 2HD2 LEU 64 -2.273 -5.814 -0.612 548 3HD2 LEU 64 3HD2 LEU 64 -0.543 -6.154 -0.645 549 H GLU 65 H GLU 65 -2.234 -10.508 -4.539 550 HA GLU 65 HA GLU 65 -2.287 -13.026 -3.304 551 1HB GLU 65 3HB GLU 65 -3.373 -13.762 -5.226 552 2HB GLU 65 2HB GLU 65 -3.611 -12.023 -5.343 553 1HG GLU 65 2HG GLU 65 -2.780 -12.306 -7.444 554 2HG GLU 65 1HG GLU 65 -1.224 -12.283 -6.615 555 H LYS 66 H LYS 66 0.079 -11.505 -5.241 556 HA LYS 66 HA LYS 66 1.556 -13.839 -6.063 557 1HB LYS 66 3HB LYS 66 2.554 -11.001 -5.747 558 2HB LYS 66 2HB LYS 66 3.258 -12.264 -6.752 559 1HG LYS 66 2HG LYS 66 0.564 -12.159 -7.516 560 2HG LYS 66 1HG LYS 66 1.059 -10.475 -7.353 561 1HD LYS 66 2HD LYS 66 3.000 -10.892 -8.810 562 2HD LYS 66 1HD LYS 66 2.525 -12.584 -8.966 563 1HE LYS 66 2HE LYS 66 1.242 -11.992 -10.719 564 2HE LYS 66 1HE LYS 66 0.218 -11.094 -9.598 565 1HZ LYS 66 1HZ LYS 66 1.225 -9.815 -11.520 566 2HZ LYS 66 2HZ LYS 66 2.709 -9.946 -10.702 567 3HZ LYS 66 3HZ LYS 66 1.404 -9.136 -9.976 568 H TYR 67 H TYR 67 2.415 -11.348 -3.636 569 HA TYR 67 HA TYR 67 3.969 -13.501 -2.267 570 1HB TYR 67 3HB TYR 67 5.474 -11.756 -1.404 571 2HB TYR 67 2HB TYR 67 5.456 -11.806 -3.161 572 HD1 TYR 67 HD1 TYR 67 2.377 -10.380 -2.151 573 HD2 TYR 67 HD2 TYR 67 6.562 -9.465 -2.485 574 HE1 TYR 67 HE1 TYR 67 1.846 -7.966 -2.208 575 HE2 TYR 67 HE2 TYR 67 6.024 -7.048 -2.542 576 HH TYR 67 HH TYR 67 4.347 -5.547 -2.803 577 HA PRO 68 HA PRO 68 0.799 -12.222 0.793 578 1HB PRO 68 3HB PRO 68 0.027 -14.791 1.360 579 2HB PRO 68 2HB PRO 68 -0.712 -13.814 0.085 580 1HG PRO 68 2HG PRO 68 1.207 -16.082 -0.169 581 2HG PRO 68 1HG PRO 68 -0.020 -15.517 -1.316 582 1HD PRO 68 2HD PRO 68 2.751 -14.997 -1.487 583 2HD PRO 68 1HD PRO 68 1.477 -14.150 -2.389 584 H ASP 69 H ASP 69 2.244 -15.422 1.280 585 HA ASP 69 HA ASP 69 3.195 -14.627 3.922 586 1HB ASP 69 3HB ASP 69 2.447 -17.075 2.661 587 2HB ASP 69 2HB ASP 69 4.120 -17.230 3.199 588 H TYR 70 H TYR 70 4.574 -13.046 2.345 589 HA TYR 70 HA TYR 70 6.862 -14.054 1.031 590 1HB TYR 70 3HB TYR 70 7.784 -11.719 1.439 591 2HB TYR 70 2HB TYR 70 6.220 -11.788 0.626 592 HD1 TYR 70 HD1 TYR 70 7.896 -11.207 3.890 593 HD2 TYR 70 HD2 TYR 70 4.235 -10.937 1.660 594 HE1 TYR 70 HE1 TYR 70 6.886 -9.856 5.710 595 HE2 TYR 70 HE2 TYR 70 3.225 -9.586 3.479 596 HH TYR 70 HH TYR 70 3.771 -8.299 5.331 Start of MODEL 19 1 HA PRO 1 HA PRO 1 3.548 -5.848 7.236 2 1HB PRO 1 3HB PRO 1 2.068 -8.295 7.033 3 2HB PRO 1 2HB PRO 1 2.629 -7.478 8.499 4 1HG PRO 1 2HG PRO 1 -0.053 -7.665 7.494 5 2HG PRO 1 1HG PRO 1 0.509 -6.872 8.972 6 1HD PRO 1 2HD PRO 1 -0.413 -5.631 6.570 7 2HD PRO 1 1HD PRO 1 0.200 -4.846 8.029 8 H HIS 2 H HIS 2 1.340 -7.670 5.076 9 HA HIS 2 HA HIS 2 3.663 -8.028 3.233 10 1HB HIS 2 3HB HIS 2 2.324 -10.020 4.291 11 2HB HIS 2 2HB HIS 2 1.119 -9.623 3.067 12 HD1 HIS 2 HD1 HIS 2 4.922 -10.047 3.093 13 HD2 HIS 2 HD2 HIS 2 1.612 -11.044 0.761 14 HE1 HIS 2 HE1 HIS 2 5.805 -11.371 1.122 15 H ILE 3 H ILE 3 2.487 -5.577 3.020 16 HA ILE 3 HA ILE 3 0.662 -5.806 0.672 17 HB ILE 3 HB ILE 3 0.184 -3.371 1.265 18 1HG1 ILE 3 2HG1 ILE 3 1.391 -4.127 3.921 19 2HG1 ILE 3 1HG1 ILE 3 2.325 -3.278 2.691 20 1HG2 ILE 3 1HG2 ILE 3 -1.618 -4.129 2.419 21 2HG2 ILE 3 2HG2 ILE 3 -0.608 -4.843 3.675 22 3HG2 ILE 3 3HG2 ILE 3 -0.916 -5.731 2.184 23 1HD1 ILE 3 1HD1 ILE 3 -0.259 -2.028 3.003 24 2HD1 ILE 3 2HD1 ILE 3 1.344 -1.324 3.218 25 3HD1 ILE 3 3HD1 ILE 3 0.551 -2.139 4.566 26 H LYS 4 H LYS 4 2.996 -6.263 -0.310 27 HA LYS 4 HA LYS 4 4.654 -3.885 -0.702 28 1HB LYS 4 3HB LYS 4 5.513 -6.276 -0.653 29 2HB LYS 4 2HB LYS 4 4.766 -6.494 -2.237 30 1HG LYS 4 2HG LYS 4 6.202 -4.938 -3.266 31 2HG LYS 4 1HG LYS 4 6.649 -4.196 -1.728 32 1HD LYS 4 2HD LYS 4 7.286 -7.036 -1.770 33 2HD LYS 4 1HD LYS 4 8.085 -6.172 -3.082 34 1HE LYS 4 2HE LYS 4 9.525 -6.100 -1.128 35 2HE LYS 4 1HE LYS 4 8.880 -4.483 -1.406 36 1HZ LYS 4 1HZ LYS 4 7.423 -6.326 0.356 37 2HZ LYS 4 2HZ LYS 4 7.482 -4.627 0.382 38 3HZ LYS 4 3HZ LYS 4 8.800 -5.536 0.952 39 H ARG 5 H ARG 5 2.737 -2.614 -1.580 40 HA ARG 5 HA ARG 5 2.390 -3.184 -4.496 41 1HB ARG 5 3HB ARG 5 0.304 -1.528 -3.956 42 2HB ARG 5 2HB ARG 5 0.192 -3.283 -3.903 43 1HG ARG 5 2HG ARG 5 -0.716 -2.666 -1.839 44 2HG ARG 5 1HG ARG 5 0.955 -3.003 -1.408 45 1HD ARG 5 2HD ARG 5 0.650 -0.255 -2.298 46 2HD ARG 5 1HD ARG 5 -0.450 -0.611 -0.969 47 HE ARG 5 HE ARG 5 1.979 -1.665 -0.134 48 1HH1 ARG 5 1HH2 ARG 5 0.290 1.144 0.188 49 2HH1 ARG 5 2HH2 ARG 5 1.655 2.176 0.460 50 1HH2 ARG 5 1HH1 ARG 5 3.991 -0.232 -0.420 51 2HH2 ARG 5 2HH1 ARG 5 3.749 1.398 0.116 52 HA PRO 6 HA PRO 6 4.438 0.922 -4.083 53 1HB PRO 6 3HB PRO 6 6.636 0.340 -5.622 54 2HB PRO 6 2HB PRO 6 6.573 0.059 -3.872 55 1HG PRO 6 2HG PRO 6 6.427 -1.919 -6.093 56 2HG PRO 6 1HG PRO 6 6.950 -2.151 -4.417 57 1HD PRO 6 2HD PRO 6 4.423 -2.879 -5.509 58 2HD PRO 6 1HD PRO 6 4.878 -2.871 -3.793 59 H MET 7 H MET 7 2.440 -0.162 -6.019 60 HA MET 7 HA MET 7 3.318 1.230 -8.468 61 1HB MET 7 3HB MET 7 0.963 -0.054 -9.109 62 2HB MET 7 2HB MET 7 2.577 -0.661 -9.468 63 1HG MET 7 2HG MET 7 2.625 -1.952 -7.432 64 2HG MET 7 1HG MET 7 1.134 -1.203 -6.872 65 1HE MET 7 1HE MET 7 3.005 -3.539 -8.560 66 2HE MET 7 2HE MET 7 2.289 -3.719 -10.158 67 3HE MET 7 3HE MET 7 1.907 -4.885 -8.893 68 H ASN 8 H ASN 8 1.204 2.192 -9.564 69 HA ASN 8 HA ASN 8 -0.942 3.048 -7.954 70 1HB ASN 8 3HB ASN 8 0.316 4.343 -6.541 71 2HB ASN 8 2HB ASN 8 1.534 4.622 -7.760 72 1HD2 ASN 8 1HD2 ASN 8 -1.562 5.767 -6.519 73 2HD2 ASN 8 2HD2 ASN 8 -1.589 7.212 -7.410 74 H ALA 9 H ALA 9 -1.925 5.145 -9.080 75 HA ALA 9 HA ALA 9 -2.317 4.529 -11.802 76 1HB ALA 9 1HB ALA 9 -2.589 7.254 -10.492 77 2HB ALA 9 2HB ALA 9 -3.829 6.002 -10.462 78 3HB ALA 9 3HB ALA 9 -3.361 6.742 -11.993 79 H PHE 10 H PHE 10 0.001 6.549 -10.188 80 HA PHE 10 HA PHE 10 1.061 7.774 -12.526 81 1HB PHE 10 3HB PHE 10 1.445 8.836 -10.492 82 2HB PHE 10 2HB PHE 10 2.015 7.363 -9.728 83 HD1 PHE 10 HD1 PHE 10 2.834 9.662 -12.554 84 HD2 PHE 10 HD2 PHE 10 4.307 6.978 -9.549 85 HE1 PHE 10 HE1 PHE 10 5.156 10.241 -13.171 86 HE2 PHE 10 HE2 PHE 10 6.638 7.556 -10.169 87 HZ PHE 10 HZ PHE 10 7.064 9.193 -11.983 88 H MET 11 H MET 11 2.504 5.262 -10.433 89 HA MET 11 HA MET 11 4.514 4.566 -12.361 90 1HB MET 11 3HB MET 11 3.342 3.162 -9.954 91 2HB MET 11 2HB MET 11 4.489 2.332 -11.006 92 1HG MET 11 2HG MET 11 5.866 4.591 -10.690 93 2HG MET 11 1HG MET 11 4.926 4.677 -9.202 94 1HE MET 11 1HE MET 11 8.574 3.377 -8.335 95 2HE MET 11 2HE MET 11 7.473 4.753 -8.301 96 3HE MET 11 3HE MET 11 8.208 4.258 -9.825 97 H VAL 12 H VAL 12 1.157 4.064 -12.120 98 HA VAL 12 HA VAL 12 1.080 1.666 -13.783 99 HB VAL 12 HB VAL 12 -0.940 3.538 -12.568 100 1HG1 VAL 12 1HG1 VAL 12 -2.496 1.608 -13.748 101 2HG1 VAL 12 2HG1 VAL 12 -1.305 1.951 -15.003 102 3HG1 VAL 12 3HG1 VAL 12 -2.291 3.256 -14.343 103 1HG2 VAL 12 1HG2 VAL 12 -1.649 1.571 -11.387 104 2HG2 VAL 12 2HG2 VAL 12 0.114 1.589 -11.329 105 3HG2 VAL 12 3HG2 VAL 12 -0.720 0.523 -12.457 106 H TRP 13 H TRP 13 0.343 5.102 -14.057 107 HA TRP 13 HA TRP 13 -0.203 4.818 -16.937 108 1HB TRP 13 3HB TRP 13 -1.416 6.596 -16.250 109 2HB TRP 13 2HB TRP 13 -0.391 6.880 -14.858 110 HD1 TRP 13 HD1 TRP 13 -1.303 8.240 -18.099 111 HE1 TRP 13 HE1 TRP 13 0.244 10.181 -18.715 112 HE3 TRP 13 HE3 TRP 13 2.417 7.616 -14.660 113 HZ2 TRP 13 HZ2 TRP 13 2.740 11.316 -17.939 114 HZ3 TRP 13 HZ3 TRP 13 4.369 9.124 -14.629 115 HH2 TRP 13 HH2 TRP 13 4.532 10.979 -16.255 116 H ALA 14 H ALA 14 2.410 5.771 -14.869 117 HA ALA 14 HA ALA 14 4.107 6.886 -16.896 118 1HB ALA 14 1HB ALA 14 4.113 7.117 -14.286 119 2HB ALA 14 2HB ALA 14 5.623 7.188 -15.184 120 3HB ALA 14 3HB ALA 14 5.158 5.702 -14.364 121 H LYS 15 H LYS 15 3.574 3.587 -15.778 122 HA LYS 15 HA LYS 15 6.050 2.547 -16.753 123 1HB LYS 15 3HB LYS 15 5.130 0.378 -16.422 124 2HB LYS 15 2HB LYS 15 4.397 1.377 -15.168 125 1HG LYS 15 2HG LYS 15 2.378 1.640 -16.494 126 2HG LYS 15 1HG LYS 15 3.110 0.782 -17.847 127 1HD LYS 15 2HD LYS 15 2.590 -0.404 -15.104 128 2HD LYS 15 1HD LYS 15 1.611 -0.699 -16.542 129 1HE LYS 15 2HE LYS 15 2.997 -2.424 -16.986 130 2HE LYS 15 1HE LYS 15 4.217 -1.216 -17.389 131 1HZ LYS 15 1HZ LYS 15 4.061 -1.514 -14.590 132 2HZ LYS 15 2HZ LYS 15 5.381 -1.803 -15.620 133 3HZ LYS 15 3HZ LYS 15 4.262 -3.042 -15.299 134 H ASP 16 H ASP 16 3.042 3.387 -18.195 135 HA ASP 16 HA ASP 16 3.842 2.155 -20.755 136 1HB ASP 16 3HB ASP 16 1.344 2.607 -19.527 137 2HB ASP 16 2HB ASP 16 1.421 3.743 -20.873 138 H GLU 17 H GLU 17 3.431 5.168 -19.090 139 HA GLU 17 HA GLU 17 3.776 6.910 -21.344 140 1HB GLU 17 3HB GLU 17 3.398 7.096 -18.521 141 2HB GLU 17 2HB GLU 17 4.771 8.102 -18.960 142 1HG GLU 17 2HG GLU 17 2.690 8.390 -20.916 143 2HG GLU 17 1HG GLU 17 2.026 8.647 -19.307 144 H ARG 18 H ARG 18 5.960 5.341 -19.044 145 HA ARG 18 HA ARG 18 8.315 6.701 -20.121 146 1HB ARG 18 3HB ARG 18 9.625 5.315 -18.663 147 2HB ARG 18 2HB ARG 18 8.189 5.777 -17.761 148 1HG ARG 18 2HG ARG 18 7.837 3.595 -17.366 149 2HG ARG 18 1HG ARG 18 7.486 3.398 -19.075 150 1HD ARG 18 2HD ARG 18 10.231 3.466 -19.078 151 2HD ARG 18 1HD ARG 18 9.887 2.639 -17.559 152 HE ARG 18 HE ARG 18 9.248 1.633 -20.259 153 1HH1 ARG 18 1HH2 ARG 18 6.976 1.241 -18.250 154 2HH1 ARG 18 2HH2 ARG 18 7.344 -0.339 -17.642 155 1HH2 ARG 18 1HH1 ARG 18 10.586 -0.345 -18.873 156 2HH2 ARG 18 2HH1 ARG 18 9.389 -1.238 -17.997 157 H ARG 19 H ARG 19 6.610 3.663 -20.591 158 HA ARG 19 HA ARG 19 8.528 2.563 -22.432 159 1HB ARG 19 3HB ARG 19 5.801 1.972 -21.480 160 2HB ARG 19 2HB ARG 19 6.065 1.553 -23.169 161 1HG ARG 19 2HG ARG 19 8.355 0.761 -21.629 162 2HG ARG 19 1HG ARG 19 6.897 0.112 -20.880 163 1HD ARG 19 2HD ARG 19 7.482 -1.535 -22.470 164 2HD ARG 19 1HD ARG 19 6.228 -0.598 -23.284 165 HE ARG 19 HE ARG 19 7.857 -0.058 -24.886 166 1HH1 ARG 19 1HH1 ARG 19 9.407 -1.619 -22.335 167 2HH1 ARG 19 2HH1 ARG 19 10.972 -0.945 -22.647 168 1HH2 ARG 19 1HH2 ARG 19 9.834 1.252 -25.076 169 2HH2 ARG 19 2HH2 ARG 19 11.213 0.680 -24.199 170 H LYS 20 H LYS 20 5.698 4.620 -22.559 171 HA LYS 20 HA LYS 20 5.617 4.853 -25.414 172 1HB LYS 20 3HB LYS 20 3.725 5.331 -23.732 173 2HB LYS 20 2HB LYS 20 4.513 6.892 -23.495 174 1HG LYS 20 2HG LYS 20 3.222 7.549 -25.250 175 2HG LYS 20 1HG LYS 20 4.448 6.737 -26.226 176 1HD LYS 20 2HD LYS 20 3.121 4.881 -26.602 177 2HD LYS 20 1HD LYS 20 2.237 5.076 -25.090 178 1HE LYS 20 2HE LYS 20 0.939 5.612 -27.230 179 2HE LYS 20 1HE LYS 20 0.914 6.850 -25.975 180 1HZ LYS 20 1HZ LYS 20 3.007 6.911 -28.039 181 2HZ LYS 20 2HZ LYS 20 2.349 8.191 -27.134 182 3HZ LYS 20 3HZ LYS 20 1.459 7.499 -28.404 183 H ILE 21 H ILE 21 7.481 6.333 -22.923 184 HA ILE 21 HA ILE 21 8.289 8.513 -24.742 185 HB ILE 21 HB ILE 21 7.997 8.302 -21.902 186 1HG1 ILE 21 2HG1 ILE 21 8.818 10.832 -22.304 187 2HG1 ILE 21 1HG1 ILE 21 8.466 10.383 -23.974 188 1HG2 ILE 21 1HG2 ILE 21 10.456 7.697 -22.000 189 2HG2 ILE 21 2HG2 ILE 21 10.080 9.146 -21.069 190 3HG2 ILE 21 3HG2 ILE 21 10.743 9.292 -22.697 191 1HD1 ILE 21 1HD1 ILE 21 6.230 9.463 -23.040 192 2HD1 ILE 21 2HD1 ILE 21 6.403 11.212 -23.176 193 3HD1 ILE 21 3HD1 ILE 21 6.594 10.426 -21.609 194 H LEU 22 H LEU 22 9.720 5.872 -22.887 195 HA LEU 22 HA LEU 22 12.397 6.159 -23.611 196 1HB LEU 22 3HB LEU 22 11.084 4.344 -22.234 197 2HB LEU 22 2HB LEU 22 11.096 3.476 -23.768 198 HG LEU 22 HG LEU 22 13.603 4.011 -23.848 199 1HD1 LEU 22 1HD1 LEU 22 13.120 4.361 -20.880 200 2HD1 LEU 22 2HD1 LEU 22 13.419 5.701 -21.987 201 3HD1 LEU 22 3HD1 LEU 22 14.661 4.476 -21.729 202 1HD2 LEU 22 1HD2 LEU 22 13.188 1.789 -23.517 203 2HD2 LEU 22 2HD2 LEU 22 12.108 2.089 -22.154 204 3HD2 LEU 22 3HD2 LEU 22 13.857 2.161 -21.928 205 H GLN 23 H GLN 23 9.672 5.061 -25.466 206 HA GLN 23 HA GLN 23 11.095 3.935 -27.670 207 1HB GLN 23 3HB GLN 23 9.015 4.152 -28.872 208 2HB GLN 23 2HB GLN 23 8.629 3.679 -27.222 209 1HG GLN 23 2HG GLN 23 8.318 6.062 -26.666 210 2HG GLN 23 1HG GLN 23 8.579 6.467 -28.356 211 1HE2 GLN 23 1HE2 GLN 23 6.578 6.890 -29.315 212 2HE2 GLN 23 2HE2 GLN 23 5.165 5.985 -29.059 213 H ALA 24 H ALA 24 9.966 7.014 -26.764 214 HA ALA 24 HA ALA 24 10.960 8.366 -29.150 215 1HB ALA 24 1HB ALA 24 9.788 9.507 -26.602 216 2HB ALA 24 2HB ALA 24 8.861 9.099 -28.047 217 3HB ALA 24 3HB ALA 24 10.058 10.394 -28.104 218 H PHE 25 H PHE 25 12.082 7.476 -26.044 219 HA PHE 25 HA PHE 25 14.607 8.919 -26.535 220 1HB PHE 25 3HB PHE 25 13.132 9.029 -23.881 221 2HB PHE 25 2HB PHE 25 14.710 9.738 -24.218 222 HD1 PHE 25 HD1 PHE 25 11.507 10.690 -23.679 223 HD2 PHE 25 HD2 PHE 25 14.508 11.058 -26.731 224 HE1 PHE 25 HE1 PHE 25 10.406 12.749 -24.513 225 HE2 PHE 25 HE2 PHE 25 13.406 13.118 -27.565 226 HZ PHE 25 HZ PHE 25 11.355 13.962 -26.456 227 HA PRO 26 HA PRO 26 14.882 4.491 -25.137 228 1HB PRO 26 3HB PRO 26 16.316 3.670 -27.333 229 2HB PRO 26 2HB PRO 26 14.549 3.623 -27.228 230 1HG PRO 26 2HG PRO 26 16.295 5.562 -28.696 231 2HG PRO 26 1HG PRO 26 14.662 4.999 -29.092 232 1HD PRO 26 2HD PRO 26 15.235 7.473 -27.915 233 2HD PRO 26 1HD PRO 26 13.660 6.669 -27.855 234 H ASP 27 H ASP 27 16.832 7.133 -25.514 235 HA ASP 27 HA ASP 27 19.311 5.684 -24.750 236 1HB ASP 27 3HB ASP 27 18.859 7.907 -26.437 237 2HB ASP 27 2HB ASP 27 19.695 8.497 -25.006 238 H MET 28 H MET 28 16.910 8.006 -23.814 239 HA MET 28 HA MET 28 18.116 8.889 -21.401 240 1HB MET 28 3HB MET 28 15.844 9.626 -22.728 241 2HB MET 28 2HB MET 28 15.195 8.671 -21.401 242 1HG MET 28 2HG MET 28 15.972 10.114 -19.774 243 2HG MET 28 1HG MET 28 17.324 10.661 -20.767 244 1HE MET 28 1HE MET 28 13.883 10.293 -22.448 245 2HE MET 28 2HE MET 28 12.974 11.662 -21.813 246 3HE MET 28 3HE MET 28 13.500 10.380 -20.725 247 H HIS 29 H HIS 29 18.888 7.406 -20.289 248 HA HIS 29 HA HIS 29 18.087 4.791 -19.955 249 1HB HIS 29 3HB HIS 29 20.122 6.311 -19.158 250 2HB HIS 29 2HB HIS 29 19.243 6.206 -17.629 251 HD1 HIS 29 HD1 HIS 29 19.706 4.140 -16.301 252 HD2 HIS 29 HD2 HIS 29 20.410 3.623 -20.368 253 HE1 HIS 29 HE1 HIS 29 20.552 1.775 -16.556 254 H ASN 30 H ASN 30 16.665 3.712 -18.632 255 HA ASN 30 HA ASN 30 14.379 4.952 -17.556 256 1HB ASN 30 3HB ASN 30 15.622 2.318 -17.420 257 2HB ASN 30 2HB ASN 30 14.871 2.750 -15.883 258 1HD2 ASN 30 1HD2 ASN 30 13.008 1.381 -16.088 259 2HD2 ASN 30 2HD2 ASN 30 11.827 1.615 -17.285 260 H SER 31 H SER 31 17.603 4.552 -16.292 261 HA SER 31 HA SER 31 17.158 5.096 -13.551 262 1HB SER 31 3HB SER 31 19.493 5.902 -13.525 263 2HB SER 31 2HB SER 31 19.353 4.410 -14.448 264 HG SER 31 HG SER 31 20.524 6.373 -15.361 265 H ASN 32 H ASN 32 16.800 7.064 -16.343 266 HA ASN 32 HA ASN 32 16.614 9.504 -14.647 267 1HB ASN 32 3HB ASN 32 17.882 9.007 -17.164 268 2HB ASN 32 2HB ASN 32 16.668 10.270 -17.330 269 1HD2 ASN 32 1HD2 ASN 32 19.370 11.000 -17.557 270 2HD2 ASN 32 2HD2 ASN 32 19.838 11.886 -16.187 271 H ILE 33 H ILE 33 15.025 7.627 -17.202 272 HA ILE 33 HA ILE 33 12.874 9.330 -17.807 273 HB ILE 33 HB ILE 33 12.960 6.318 -17.526 274 1HG1 ILE 33 2HG1 ILE 33 14.250 7.706 -19.335 275 2HG1 ILE 33 1HG1 ILE 33 13.320 6.296 -19.845 276 1HG2 ILE 33 1HG2 ILE 33 10.827 6.775 -19.145 277 2HG2 ILE 33 2HG2 ILE 33 10.680 8.149 -18.051 278 3HG2 ILE 33 3HG2 ILE 33 10.677 6.506 -17.408 279 1HD1 ILE 33 1HD1 ILE 33 12.842 8.206 -21.318 280 2HD1 ILE 33 2HD1 ILE 33 12.364 9.174 -19.921 281 3HD1 ILE 33 3HD1 ILE 33 11.407 7.770 -20.390 282 H SER 34 H SER 34 13.601 7.659 -14.877 283 HA SER 34 HA SER 34 11.069 7.459 -13.649 284 1HB SER 34 3HB SER 34 13.871 7.793 -12.721 285 2HB SER 34 2HB SER 34 12.602 8.143 -11.553 286 HG SER 34 HG SER 34 11.903 6.088 -11.677 287 H LYS 35 H LYS 35 13.313 10.245 -13.738 288 HA LYS 35 HA LYS 35 11.528 11.920 -12.216 289 1HB LYS 35 3HB LYS 35 13.085 13.715 -12.777 290 2HB LYS 35 2HB LYS 35 14.006 12.274 -12.336 291 1HG LYS 35 2HG LYS 35 13.581 11.929 -15.042 292 2HG LYS 35 1HG LYS 35 13.845 13.657 -14.905 293 1HD LYS 35 2HD LYS 35 15.812 12.748 -13.270 294 2HD LYS 35 1HD LYS 35 15.731 11.427 -14.436 295 1HE LYS 35 2HE LYS 35 16.309 12.799 -16.235 296 2HE LYS 35 1HE LYS 35 15.772 14.266 -15.414 297 1HZ LYS 35 1HZ LYS 35 18.322 13.525 -15.600 298 2HZ LYS 35 2HZ LYS 35 17.916 12.814 -14.111 299 3HZ LYS 35 3HZ LYS 35 17.715 14.485 -14.340 300 H ILE 36 H ILE 36 11.975 11.013 -15.501 301 HA ILE 36 HA ILE 36 10.608 13.179 -16.766 302 HB ILE 36 HB ILE 36 11.309 10.397 -17.491 303 1HG1 ILE 36 2HG1 ILE 36 12.293 11.739 -19.475 304 2HG1 ILE 36 1HG1 ILE 36 11.933 13.163 -18.499 305 1HG2 ILE 36 1HG2 ILE 36 9.180 12.051 -18.762 306 2HG2 ILE 36 2HG2 ILE 36 9.302 10.296 -18.629 307 3HG2 ILE 36 3HG2 ILE 36 10.262 11.159 -19.831 308 1HD1 ILE 36 1HD1 ILE 36 13.602 12.724 -17.016 309 2HD1 ILE 36 2HD1 ILE 36 14.259 11.737 -18.323 310 3HD1 ILE 36 3HD1 ILE 36 13.298 10.988 -17.051 311 H LEU 37 H LEU 37 9.606 9.961 -15.734 312 HA LEU 37 HA LEU 37 6.841 10.163 -16.374 313 1HB LEU 37 3HB LEU 37 8.398 8.636 -14.299 314 2HB LEU 37 2HB LEU 37 6.658 8.481 -14.467 315 HG LEU 37 HG LEU 37 8.734 7.917 -16.596 316 1HD1 LEU 37 1HD1 LEU 37 7.472 6.369 -14.522 317 2HD1 LEU 37 2HD1 LEU 37 8.730 5.883 -15.658 318 3HD1 LEU 37 3HD1 LEU 37 7.031 5.731 -16.104 319 1HD2 LEU 37 1HD2 LEU 37 5.766 8.257 -16.699 320 2HD2 LEU 37 2HD2 LEU 37 6.454 6.926 -17.629 321 3HD2 LEU 37 3HD2 LEU 37 6.974 8.582 -17.941 322 H GLY 38 H GLY 38 8.420 10.416 -13.211 323 1HA GLY 38 2HA GLY 38 6.177 11.434 -11.788 324 2HA GLY 38 1HA GLY 38 7.856 11.640 -11.283 325 H SER 39 H SER 39 8.128 12.905 -14.142 326 HA SER 39 HA SER 39 7.367 15.606 -13.227 327 1HB SER 39 3HB SER 39 9.006 16.449 -14.819 328 2HB SER 39 2HB SER 39 9.772 15.213 -13.829 329 HG SER 39 HG SER 39 10.170 14.934 -16.080 330 H ARG 40 H ARG 40 6.599 13.074 -15.332 331 HA ARG 40 HA ARG 40 5.266 14.771 -17.312 332 1HB ARG 40 3HB ARG 40 5.953 11.928 -16.938 333 2HB ARG 40 2HB ARG 40 4.536 12.271 -17.906 334 1HG ARG 40 2HG ARG 40 6.681 14.061 -18.617 335 2HG ARG 40 1HG ARG 40 7.235 12.390 -18.717 336 1HD ARG 40 2HD ARG 40 5.379 11.810 -20.153 337 2HD ARG 40 1HD ARG 40 4.687 13.420 -19.978 338 HE ARG 40 HE ARG 40 7.363 13.020 -21.254 339 1HH1 ARG 40 1HH2 ARG 40 4.207 13.227 -22.191 340 2HH1 ARG 40 2HH2 ARG 40 4.370 14.664 -23.144 341 1HH2 ARG 40 1HH1 ARG 40 7.579 15.356 -22.019 342 2HH2 ARG 40 2HH1 ARG 40 6.283 15.872 -23.046 343 H TRP 41 H TRP 41 4.756 12.719 -14.578 344 HA TRP 41 HA TRP 41 1.911 12.572 -14.567 345 1HB TRP 41 3HB TRP 41 3.589 11.234 -13.204 346 2HB TRP 41 2HB TRP 41 3.759 12.653 -12.187 347 HD1 TRP 41 HD1 TRP 41 2.038 12.889 -10.317 348 HE1 TRP 41 HE1 TRP 41 -0.245 11.766 -9.749 349 HE3 TRP 41 HE3 TRP 41 1.391 10.148 -14.507 350 HZ2 TRP 41 HZ2 TRP 41 -2.090 9.919 -10.989 351 HZ3 TRP 41 HZ3 TRP 41 -0.601 8.725 -14.804 352 HH2 TRP 41 HH2 TRP 41 -2.332 8.614 -13.110 353 H LYS 42 H LYS 42 4.154 14.621 -12.705 354 HA LYS 42 HA LYS 42 2.114 16.289 -11.609 355 1HB LYS 42 3HB LYS 42 5.031 16.920 -12.196 356 2HB LYS 42 2HB LYS 42 3.967 17.910 -11.196 357 1HG LYS 42 2HG LYS 42 3.577 15.831 -9.773 358 2HG LYS 42 1HG LYS 42 4.907 15.085 -10.659 359 1HD LYS 42 2HD LYS 42 6.215 17.258 -10.026 360 2HD LYS 42 1HD LYS 42 4.973 17.437 -8.786 361 1HE LYS 42 2HE LYS 42 5.484 15.069 -8.063 362 2HE LYS 42 1HE LYS 42 6.860 15.100 -9.165 363 1HZ LYS 42 1HZ LYS 42 7.851 16.846 -7.966 364 2HZ LYS 42 2HZ LYS 42 7.340 15.725 -6.797 365 3HZ LYS 42 3HZ LYS 42 6.447 17.145 -7.065 366 H ALA 43 H ALA 43 3.650 16.048 -14.667 367 HA ALA 43 HA ALA 43 2.809 18.675 -15.567 368 1HB ALA 43 1HB ALA 43 4.301 16.381 -16.821 369 2HB ALA 43 2HB ALA 43 4.906 17.992 -16.434 370 3HB ALA 43 3HB ALA 43 3.779 17.772 -17.773 371 H MET 44 H MET 44 1.238 15.824 -15.093 372 HA MET 44 HA MET 44 -0.307 15.817 -17.579 373 1HB MET 44 3HB MET 44 -1.296 13.821 -16.763 374 2HB MET 44 2HB MET 44 0.390 13.720 -16.280 375 1HG MET 44 2HG MET 44 -0.266 13.496 -14.143 376 2HG MET 44 1HG MET 44 -0.977 15.109 -14.212 377 1HE MET 44 1HE MET 44 -2.814 11.732 -16.286 378 2HE MET 44 2HE MET 44 -2.402 11.019 -14.728 379 3HE MET 44 3HE MET 44 -1.161 11.844 -15.667 380 H THR 45 H THR 45 -2.815 15.107 -16.404 381 HA THR 45 HA THR 45 -3.508 17.689 -15.100 382 HB THR 45 HB THR 45 -5.804 17.130 -16.327 383 HG1 THR 45 HG1 THR 45 -4.066 16.250 -18.314 384 1HG2 THR 45 1HG2 THR 45 -4.809 19.189 -16.808 385 2HG2 THR 45 2HG2 THR 45 -4.724 18.381 -18.374 386 3HG2 THR 45 3HG2 THR 45 -3.299 18.445 -17.336 387 H ASN 46 H ASN 46 -3.587 16.906 -13.063 388 HA ASN 46 HA ASN 46 -4.162 14.544 -11.920 389 1HB ASN 46 3HB ASN 46 -3.917 16.803 -10.783 390 2HB ASN 46 2HB ASN 46 -5.655 17.000 -11.006 391 1HD2 ASN 46 1HD2 ASN 46 -3.280 14.671 -9.618 392 2HD2 ASN 46 2HD2 ASN 46 -4.308 14.132 -8.380 393 H LEU 47 H LEU 47 -6.585 16.495 -13.577 394 HA LEU 47 HA LEU 47 -8.856 14.885 -12.737 395 1HB LEU 47 3HB LEU 47 -8.617 17.350 -13.812 396 2HB LEU 47 2HB LEU 47 -9.002 16.428 -15.265 397 HG LEU 47 HG LEU 47 -10.814 15.371 -13.553 398 1HD1 LEU 47 1HD1 LEU 47 -11.392 18.074 -12.758 399 2HD1 LEU 47 2HD1 LEU 47 -9.776 17.636 -12.200 400 3HD1 LEU 47 3HD1 LEU 47 -11.167 16.652 -11.739 401 1HD2 LEU 47 1HD2 LEU 47 -10.925 16.729 -15.852 402 2HD2 LEU 47 2HD2 LEU 47 -11.531 17.997 -14.786 403 3HD2 LEU 47 3HD2 LEU 47 -12.370 16.447 -14.881 404 H GLU 48 H GLU 48 -6.452 14.596 -15.209 405 HA GLU 48 HA GLU 48 -8.056 12.876 -16.922 406 1HB GLU 48 3HB GLU 48 -5.469 14.183 -17.053 407 2HB GLU 48 2HB GLU 48 -5.411 12.535 -17.673 408 1HG GLU 48 2HG GLU 48 -7.693 14.297 -18.493 409 2HG GLU 48 1HG GLU 48 -6.121 14.534 -19.261 410 H LYS 49 H LYS 49 -6.965 12.242 -13.975 411 HA LYS 49 HA LYS 49 -5.550 9.714 -14.479 412 1HB LYS 49 3HB LYS 49 -6.369 11.291 -12.076 413 2HB LYS 49 2HB LYS 49 -6.037 9.574 -11.874 414 1HG LYS 49 2HG LYS 49 -3.825 9.947 -11.969 415 2HG LYS 49 1HG LYS 49 -3.999 10.759 -13.527 416 1HD LYS 49 2HD LYS 49 -3.045 12.332 -11.935 417 2HD LYS 49 1HD LYS 49 -4.696 12.830 -12.311 418 1HE LYS 49 2HE LYS 49 -4.386 10.961 -10.025 419 2HE LYS 49 1HE LYS 49 -3.779 12.598 -9.778 420 1HZ LYS 49 1HZ LYS 49 -6.097 13.145 -10.913 421 2HZ LYS 49 2HZ LYS 49 -5.928 12.946 -9.234 422 3HZ LYS 49 3HZ LYS 49 -6.509 11.668 -10.189 423 H GLN 50 H GLN 50 -8.454 10.122 -15.353 424 HA GLN 50 HA GLN 50 -10.157 8.576 -13.667 425 1HB GLN 50 3HB GLN 50 -10.639 8.382 -16.590 426 2HB GLN 50 2HB GLN 50 -11.745 8.803 -15.288 427 1HG GLN 50 2HG GLN 50 -10.460 11.009 -15.101 428 2HG GLN 50 1HG GLN 50 -9.716 10.580 -16.644 429 1HE2 GLN 50 1HE2 GLN 50 -11.173 12.820 -16.886 430 2HE2 GLN 50 2HE2 GLN 50 -12.695 12.532 -17.581 431 HA PRO 51 HA PRO 51 -9.075 4.818 -16.424 432 1HB PRO 51 3HB PRO 51 -6.980 5.070 -18.157 433 2HB PRO 51 2HB PRO 51 -8.653 5.472 -18.540 434 1HG PRO 51 2HG PRO 51 -6.375 7.308 -18.013 435 2HG PRO 51 1HG PRO 51 -7.836 7.585 -18.974 436 1HD PRO 51 2HD PRO 51 -7.363 8.510 -16.332 437 2HD PRO 51 1HD PRO 51 -8.913 8.546 -17.198 438 H TYR 52 H TYR 52 -5.925 6.483 -15.863 439 HA TYR 52 HA TYR 52 -4.587 4.013 -15.226 440 1HB TYR 52 3HB TYR 52 -3.507 6.435 -13.928 441 2HB TYR 52 2HB TYR 52 -2.702 5.268 -14.970 442 HD1 TYR 52 HD1 TYR 52 -3.297 5.341 -17.497 443 HD2 TYR 52 HD2 TYR 52 -4.100 8.535 -14.748 444 HE1 TYR 52 HE1 TYR 52 -3.450 6.927 -19.391 445 HE2 TYR 52 HE2 TYR 52 -4.258 10.125 -16.637 446 HH TYR 52 HH TYR 52 -4.437 10.292 -18.889 447 H TYR 53 H TYR 53 -6.924 5.743 -13.563 448 HA TYR 53 HA TYR 53 -5.831 5.131 -10.914 449 1HB TYR 53 3HB TYR 53 -8.087 6.665 -11.958 450 2HB TYR 53 2HB TYR 53 -8.496 5.738 -10.518 451 HD1 TYR 53 HD1 TYR 53 -5.207 7.235 -11.499 452 HD2 TYR 53 HD2 TYR 53 -8.521 7.326 -8.767 453 HE1 TYR 53 HE1 TYR 53 -3.994 8.859 -10.076 454 HE2 TYR 53 HE2 TYR 53 -7.308 8.949 -7.348 455 HH TYR 53 HH TYR 53 -5.234 10.792 -8.025 456 H GLU 54 H GLU 54 -8.411 3.890 -13.002 457 HA GLU 54 HA GLU 54 -9.301 1.902 -11.149 458 1HB GLU 54 3HB GLU 54 -9.689 2.438 -14.024 459 2HB GLU 54 2HB GLU 54 -10.117 0.841 -13.429 460 1HG GLU 54 2HG GLU 54 -11.056 3.068 -11.739 461 2HG GLU 54 1HG GLU 54 -11.779 3.020 -13.346 462 H GLU 55 H GLU 55 -7.018 1.731 -13.875 463 HA GLU 55 HA GLU 55 -6.557 -1.061 -13.731 464 1HB GLU 55 3HB GLU 55 -5.229 1.242 -14.904 465 2HB GLU 55 2HB GLU 55 -4.116 -0.047 -14.463 466 1HG GLU 55 2HG GLU 55 -6.454 -1.196 -15.675 467 2HG GLU 55 1HG GLU 55 -5.827 0.071 -16.728 468 H GLN 56 H GLN 56 -5.735 1.404 -11.507 469 HA GLN 56 HA GLN 56 -3.446 -0.040 -10.383 470 1HB GLN 56 3HB GLN 56 -3.066 1.859 -9.210 471 2HB GLN 56 2HB GLN 56 -4.197 2.585 -10.326 472 1HG GLN 56 2HG GLN 56 -5.982 2.429 -8.737 473 2HG GLN 56 1HG GLN 56 -5.048 1.361 -7.689 474 1HE2 GLN 56 1HE2 GLN 56 -5.717 4.682 -8.450 475 2HE2 GLN 56 2HE2 GLN 56 -4.608 5.369 -7.364 476 H ALA 57 H ALA 57 -6.671 0.822 -9.245 477 HA ALA 57 HA ALA 57 -6.785 -0.705 -6.920 478 1HB ALA 57 1HB ALA 57 -8.845 0.206 -6.974 479 2HB ALA 57 2HB ALA 57 -9.309 -1.026 -8.147 480 3HB ALA 57 3HB ALA 57 -8.693 0.531 -8.702 481 H ARG 58 H ARG 58 -6.857 -1.758 -10.259 482 HA ARG 58 HA ARG 58 -7.846 -4.428 -9.726 483 1HB ARG 58 3HB ARG 58 -6.239 -3.254 -12.013 484 2HB ARG 58 2HB ARG 58 -6.784 -4.931 -11.980 485 1HG ARG 58 2HG ARG 58 -9.100 -3.612 -11.360 486 2HG ARG 58 1HG ARG 58 -8.330 -2.463 -12.456 487 1HD ARG 58 2HD ARG 58 -8.589 -3.820 -14.258 488 2HD ARG 58 1HD ARG 58 -8.166 -5.268 -13.344 489 HE ARG 58 HE ARG 58 -10.828 -4.447 -13.947 490 1HH1 ARG 58 1HH1 ARG 58 -8.859 -6.250 -11.841 491 2HH1 ARG 58 2HH1 ARG 58 -10.150 -6.719 -10.785 492 1HH2 ARG 58 1HH2 ARG 58 -12.521 -4.747 -12.374 493 2HH2 ARG 58 2HH2 ARG 58 -12.224 -5.868 -11.087 494 H LEU 59 H LEU 59 -4.643 -2.978 -10.092 495 HA LEU 59 HA LEU 59 -3.102 -5.343 -9.751 496 1HB LEU 59 3HB LEU 59 -2.118 -2.769 -8.583 497 2HB LEU 59 2HB LEU 59 -1.263 -3.963 -9.550 498 HG LEU 59 HG LEU 59 -3.282 -1.934 -10.536 499 1HD1 LEU 59 1HD1 LEU 59 -0.361 -2.397 -11.209 500 2HD1 LEU 59 2HD1 LEU 59 -0.956 -1.144 -10.122 501 3HD1 LEU 59 3HD1 LEU 59 -1.383 -1.104 -11.833 502 1HD2 LEU 59 1HD2 LEU 59 -1.775 -3.822 -12.327 503 2HD2 LEU 59 2HD2 LEU 59 -3.306 -2.995 -12.617 504 3HD2 LEU 59 3HD2 LEU 59 -3.248 -4.389 -11.542 505 H SER 60 H SER 60 -4.747 -3.291 -7.430 506 HA SER 60 HA SER 60 -3.383 -4.442 -5.121 507 1HB SER 60 3HB SER 60 -4.436 -2.156 -5.118 508 2HB SER 60 2HB SER 60 -6.015 -2.933 -5.217 509 HG SER 60 HG SER 60 -4.100 -3.531 -3.214 510 H LYS 61 H LYS 61 -6.454 -4.879 -6.797 511 HA LYS 61 HA LYS 61 -7.574 -6.818 -5.030 512 1HB LYS 61 3HB LYS 61 -8.703 -5.549 -6.957 513 2HB LYS 61 2HB LYS 61 -7.969 -6.747 -8.024 514 1HG LYS 61 2HG LYS 61 -9.848 -7.959 -7.612 515 2HG LYS 61 1HG LYS 61 -9.060 -8.343 -6.080 516 1HD LYS 61 2HD LYS 61 -10.575 -7.152 -4.911 517 2HD LYS 61 1HD LYS 61 -10.376 -5.754 -5.968 518 1HE LYS 61 2HE LYS 61 -12.109 -6.380 -7.361 519 2HE LYS 61 1HE LYS 61 -11.878 -8.101 -7.048 520 1HZ LYS 61 1HZ LYS 61 -13.570 -7.935 -5.645 521 2HZ LYS 61 2HZ LYS 61 -13.586 -6.238 -5.734 522 3HZ LYS 61 3HZ LYS 61 -12.567 -7.024 -4.626 523 H GLN 62 H GLN 62 -5.509 -7.108 -7.897 524 HA GLN 62 HA GLN 62 -5.445 -10.001 -7.858 525 1HB GLN 62 3HB GLN 62 -3.679 -9.791 -9.506 526 2HB GLN 62 2HB GLN 62 -4.901 -8.568 -9.863 527 1HG GLN 62 2HG GLN 62 -3.577 -6.854 -8.749 528 2HG GLN 62 1HG GLN 62 -2.390 -8.058 -8.245 529 1HE2 GLN 62 1HE2 GLN 62 -3.824 -8.408 -11.420 530 2HE2 GLN 62 2HE2 GLN 62 -2.466 -7.905 -12.304 531 H HIS 63 H HIS 63 -3.819 -7.504 -6.113 532 HA HIS 63 HA HIS 63 -1.494 -9.075 -5.374 533 1HB HIS 63 3HB HIS 63 -1.550 -6.572 -5.319 534 2HB HIS 63 2HB HIS 63 -2.680 -6.664 -3.968 535 HD1 HIS 63 HD1 HIS 63 -0.334 -9.397 -3.729 536 HD2 HIS 63 HD2 HIS 63 -0.276 -5.374 -2.645 537 HE1 HIS 63 HE1 HIS 63 1.537 -9.137 -2.042 538 H LEU 64 H LEU 64 -3.935 -7.772 -3.138 539 HA LEU 64 HA LEU 64 -3.516 -9.603 -1.081 540 1HB LEU 64 3HB LEU 64 -5.752 -7.864 -1.903 541 2HB LEU 64 2HB LEU 64 -6.217 -9.228 -0.885 542 HG LEU 64 HG LEU 64 -3.913 -7.389 -0.210 543 1HD1 LEU 64 1HD1 LEU 64 -6.852 -7.194 0.418 544 2HD1 LEU 64 2HD1 LEU 64 -5.742 -5.921 -0.094 545 3HD1 LEU 64 3HD1 LEU 64 -5.653 -6.562 1.546 546 1HD2 LEU 64 1HD2 LEU 64 -3.807 -9.541 0.895 547 2HD2 LEU 64 2HD2 LEU 64 -5.516 -9.455 1.324 548 3HD2 LEU 64 3HD2 LEU 64 -4.361 -8.355 2.077 549 H GLU 65 H GLU 65 -5.141 -10.175 -4.108 550 HA GLU 65 HA GLU 65 -6.559 -12.521 -3.277 551 1HB GLU 65 3HB GLU 65 -5.840 -11.255 -5.876 552 2HB GLU 65 2HB GLU 65 -6.357 -12.943 -5.892 553 1HG GLU 65 2HG GLU 65 -8.214 -11.867 -4.219 554 2HG GLU 65 1HG GLU 65 -7.908 -10.500 -5.286 555 H LYS 66 H LYS 66 -3.253 -11.925 -3.794 556 HA LYS 66 HA LYS 66 -2.655 -14.690 -4.601 557 1HB LYS 66 3HB LYS 66 -0.445 -13.987 -4.887 558 2HB LYS 66 2HB LYS 66 -1.380 -12.589 -5.374 559 1HG LYS 66 2HG LYS 66 -1.040 -11.607 -3.151 560 2HG LYS 66 1HG LYS 66 -0.102 -13.011 -2.664 561 1HD LYS 66 2HD LYS 66 1.239 -12.396 -4.896 562 2HD LYS 66 1HD LYS 66 0.626 -10.787 -4.510 563 1HE LYS 66 2HE LYS 66 2.715 -10.941 -3.377 564 2HE LYS 66 1HE LYS 66 1.495 -11.202 -2.130 565 1HZ LYS 66 1HZ LYS 66 2.840 -12.973 -1.737 566 2HZ LYS 66 2HZ LYS 66 3.347 -13.106 -3.353 567 3HZ LYS 66 3HZ LYS 66 1.816 -13.680 -2.890 568 H TYR 67 H TYR 67 -2.015 -12.578 -1.842 569 HA TYR 67 HA TYR 67 -1.511 -15.043 -0.226 570 1HB TYR 67 3HB TYR 67 -0.031 -13.805 1.164 571 2HB TYR 67 2HB TYR 67 0.389 -13.371 -0.493 572 HD1 TYR 67 HD1 TYR 67 -0.733 -11.265 -1.477 573 HD2 TYR 67 HD2 TYR 67 -0.609 -12.117 2.719 574 HE1 TYR 67 HE1 TYR 67 -1.197 -8.886 -0.997 575 HE2 TYR 67 HE2 TYR 67 -1.072 -9.733 3.211 576 HH TYR 67 HH TYR 67 -2.322 -7.757 1.740 577 HA PRO 68 HA PRO 68 -5.136 -12.585 1.619 578 1HB PRO 68 3HB PRO 68 -7.220 -14.122 0.716 579 2HB PRO 68 2HB PRO 68 -6.652 -12.677 -0.121 580 1HG PRO 68 2HG PRO 68 -6.193 -15.543 -0.821 581 2HG PRO 68 1HG PRO 68 -6.334 -14.136 -1.892 582 1HD PRO 68 2HD PRO 68 -3.916 -15.342 -1.173 583 2HD PRO 68 1HD PRO 68 -4.092 -13.681 -1.783 584 H ASP 69 H ASP 69 -5.369 -16.012 0.833 585 HA ASP 69 HA ASP 69 -5.968 -16.699 3.613 586 1HB ASP 69 3HB ASP 69 -6.456 -18.920 2.775 587 2HB ASP 69 2HB ASP 69 -7.210 -17.747 1.694 588 H TYR 70 H TYR 70 -3.548 -15.781 3.850 589 HA TYR 70 HA TYR 70 -1.361 -17.411 3.097 590 1HB TYR 70 3HB TYR 70 -1.676 -15.034 4.479 591 2HB TYR 70 2HB TYR 70 -1.049 -16.129 5.711 592 HD1 TYR 70 HD1 TYR 70 0.818 -17.848 4.565 593 HD2 TYR 70 HD2 TYR 70 -0.022 -13.795 3.414 594 HE1 TYR 70 HE1 TYR 70 3.090 -17.653 3.592 595 HE2 TYR 70 HE2 TYR 70 2.252 -13.600 2.443 596 HH TYR 70 HH TYR 70 4.203 -14.598 2.122 Start of MODEL 20 1 HA PRO 1 HA PRO 1 1.384 -14.803 -11.472 2 1HB PRO 1 3HB PRO 1 3.402 -14.758 -13.511 3 2HB PRO 1 2HB PRO 1 2.099 -15.934 -13.290 4 1HG PRO 1 2HG PRO 1 2.319 -13.910 -15.307 5 2HG PRO 1 1HG PRO 1 1.019 -15.087 -15.079 6 1HD PRO 1 2HD PRO 1 0.945 -12.270 -14.566 7 2HD PRO 1 1HD PRO 1 -0.346 -13.455 -14.330 8 H HIS 2 H HIS 2 3.023 -11.939 -12.807 9 HA HIS 2 HA HIS 2 4.388 -11.369 -10.355 10 1HB HIS 2 3HB HIS 2 5.615 -13.391 -11.961 11 2HB HIS 2 2HB HIS 2 6.620 -11.945 -12.048 12 HD1 HIS 2 HD1 HIS 2 7.175 -14.679 -10.371 13 HD2 HIS 2 HD2 HIS 2 5.955 -10.996 -8.845 14 HE1 HIS 2 HE1 HIS 2 7.868 -14.648 -7.936 15 H ILE 3 H ILE 3 3.541 -9.283 -11.028 16 HA ILE 3 HA ILE 3 5.247 -7.970 -13.086 17 HB ILE 3 HB ILE 3 3.014 -6.581 -13.427 18 1HG1 ILE 3 2HG1 ILE 3 2.103 -9.267 -12.382 19 2HG1 ILE 3 1HG1 ILE 3 1.622 -7.668 -11.817 20 1HG2 ILE 3 1HG2 ILE 3 2.515 -8.007 -15.352 21 2HG2 ILE 3 2HG2 ILE 3 3.420 -9.335 -14.624 22 3HG2 ILE 3 3HG2 ILE 3 4.260 -7.875 -15.147 23 1HD1 ILE 3 1HD1 ILE 3 0.423 -9.259 -13.879 24 2HD1 ILE 3 2HD1 ILE 3 1.056 -7.782 -14.604 25 3HD1 ILE 3 3HD1 ILE 3 -0.094 -7.687 -13.269 26 H LYS 4 H LYS 4 6.492 -6.970 -11.440 27 HA LYS 4 HA LYS 4 5.088 -5.355 -9.404 28 1HB LYS 4 3HB LYS 4 7.034 -6.594 -8.646 29 2HB LYS 4 2HB LYS 4 8.030 -5.885 -9.917 30 1HG LYS 4 2HG LYS 4 6.752 -3.776 -8.438 31 2HG LYS 4 1HG LYS 4 7.570 -4.861 -7.311 32 1HD LYS 4 2HD LYS 4 9.663 -4.434 -8.200 33 2HD LYS 4 1HD LYS 4 9.022 -4.061 -9.801 34 1HE LYS 4 2HE LYS 4 8.556 -1.875 -9.261 35 2HE LYS 4 1HE LYS 4 8.244 -2.250 -7.565 36 1HZ LYS 4 1HZ LYS 4 10.817 -2.859 -7.725 37 2HZ LYS 4 2HZ LYS 4 10.260 -1.310 -7.310 38 3HZ LYS 4 3HZ LYS 4 10.753 -1.640 -8.901 39 H ARG 5 H ARG 5 4.538 -4.433 -11.941 40 HA ARG 5 HA ARG 5 6.339 -2.110 -12.359 41 1HB ARG 5 3HB ARG 5 4.884 -3.819 -14.115 42 2HB ARG 5 2HB ARG 5 4.246 -2.184 -14.296 43 1HG ARG 5 2HG ARG 5 6.651 -1.383 -14.468 44 2HG ARG 5 1HG ARG 5 7.124 -3.079 -14.579 45 1HD ARG 5 2HD ARG 5 5.020 -2.804 -16.412 46 2HD ARG 5 1HD ARG 5 6.001 -1.354 -16.629 47 HE ARG 5 HE ARG 5 7.951 -2.870 -17.017 48 1HH1 ARG 5 1HH2 ARG 5 5.212 -3.396 -18.670 49 2HH1 ARG 5 2HH2 ARG 5 5.428 -5.092 -18.946 50 1HH2 ARG 5 1HH1 ARG 5 8.043 -5.398 -16.689 51 2HH2 ARG 5 2HH1 ARG 5 7.030 -6.225 -17.825 52 HA PRO 6 HA PRO 6 2.134 0.049 -11.892 53 1HB PRO 6 3HB PRO 6 -0.090 -1.480 -11.370 54 2HB PRO 6 2HB PRO 6 0.474 -1.089 -13.005 55 1HG PRO 6 2HG PRO 6 0.634 -3.667 -11.540 56 2HG PRO 6 1HG PRO 6 0.675 -3.365 -13.284 57 1HD PRO 6 2HD PRO 6 2.899 -3.915 -11.592 58 2HD PRO 6 1HD PRO 6 2.962 -3.430 -13.296 59 H MET 7 H MET 7 3.438 0.384 -9.884 60 HA MET 7 HA MET 7 2.559 -0.949 -7.438 61 1HB MET 7 3HB MET 7 4.483 1.239 -8.078 62 2HB MET 7 2HB MET 7 4.078 0.849 -6.418 63 1HG MET 7 2HG MET 7 4.619 -1.613 -7.211 64 2HG MET 7 1HG MET 7 5.556 -0.780 -8.451 65 1HE MET 7 1HE MET 7 6.304 1.544 -7.654 66 2HE MET 7 2HE MET 7 7.841 1.484 -6.796 67 3HE MET 7 3HE MET 7 6.380 1.972 -5.940 68 H ASN 8 H ASN 8 2.156 2.114 -9.084 69 HA ASN 8 HA ASN 8 -0.190 2.720 -7.395 70 1HB ASN 8 3HB ASN 8 2.010 3.858 -6.598 71 2HB ASN 8 2HB ASN 8 1.762 4.871 -7.999 72 1HD2 ASN 8 1HD2 ASN 8 1.042 4.644 -4.726 73 2HD2 ASN 8 2HD2 ASN 8 -0.331 5.641 -4.686 74 H ALA 9 H ALA 9 -0.996 5.025 -8.425 75 HA ALA 9 HA ALA 9 -1.818 4.399 -11.110 76 1HB ALA 9 1HB ALA 9 -2.839 6.035 -9.277 77 2HB ALA 9 2HB ALA 9 -3.076 6.345 -10.997 78 3HB ALA 9 3HB ALA 9 -1.829 7.217 -10.106 79 H PHE 10 H PHE 10 0.787 6.196 -9.698 80 HA PHE 10 HA PHE 10 1.619 7.563 -12.068 81 1HB PHE 10 3HB PHE 10 2.310 8.401 -9.998 82 2HB PHE 10 2HB PHE 10 2.931 6.844 -9.481 83 HD1 PHE 10 HD1 PHE 10 5.224 6.445 -9.648 84 HD2 PHE 10 HD2 PHE 10 3.400 9.361 -12.216 85 HE1 PHE 10 HE1 PHE 10 7.454 7.039 -10.554 86 HE2 PHE 10 HE2 PHE 10 5.624 9.954 -13.121 87 HZ PHE 10 HZ PHE 10 7.655 8.796 -12.293 88 H MET 11 H MET 11 3.105 4.779 -10.389 89 HA MET 11 HA MET 11 4.810 4.147 -12.617 90 1HB MET 11 3HB MET 11 3.870 2.642 -10.178 91 2HB MET 11 2HB MET 11 4.735 1.786 -11.455 92 1HG MET 11 2HG MET 11 6.281 4.040 -11.122 93 2HG MET 11 1HG MET 11 5.744 3.712 -9.475 94 1HE MET 11 1HE MET 11 8.837 3.482 -10.872 95 2HE MET 11 2HE MET 11 7.931 3.003 -12.307 96 3HE MET 11 3HE MET 11 9.120 1.901 -11.616 97 H VAL 12 H VAL 12 1.474 3.843 -11.995 98 HA VAL 12 HA VAL 12 1.054 1.589 -13.813 99 HB VAL 12 HB VAL 12 -0.664 3.377 -12.119 100 1HG1 VAL 12 1HG1 VAL 12 -2.440 3.295 -13.463 101 2HG1 VAL 12 2HG1 VAL 12 -2.373 1.535 -13.422 102 3HG1 VAL 12 3HG1 VAL 12 -1.515 2.416 -14.676 103 1HG2 VAL 12 1HG2 VAL 12 0.478 1.043 -11.590 104 2HG2 VAL 12 2HG2 VAL 12 -0.958 0.423 -12.401 105 3HG2 VAL 12 3HG2 VAL 12 -1.120 1.433 -10.966 106 H TRP 13 H TRP 13 0.501 5.060 -13.694 107 HA TRP 13 HA TRP 13 -0.397 5.060 -16.507 108 1HB TRP 13 3HB TRP 13 -1.454 6.789 -15.493 109 2HB TRP 13 2HB TRP 13 -0.228 6.934 -14.248 110 HD1 TRP 13 HD1 TRP 13 -1.524 8.561 -17.236 111 HE1 TRP 13 HE1 TRP 13 -0.007 10.502 -17.899 112 HE3 TRP 13 HE3 TRP 13 2.584 7.585 -14.366 113 HZ2 TRP 13 HZ2 TRP 13 2.603 11.516 -17.382 114 HZ3 TRP 13 HZ3 TRP 13 4.573 9.043 -14.483 115 HH2 TRP 13 HH2 TRP 13 4.586 11.015 -15.978 116 H ALA 14 H ALA 14 2.471 5.761 -14.671 117 HA ALA 14 HA ALA 14 3.994 6.934 -16.811 118 1HB ALA 14 1HB ALA 14 5.260 5.596 -14.463 119 2HB ALA 14 2HB ALA 14 4.295 7.047 -14.213 120 3HB ALA 14 3HB ALA 14 5.704 7.100 -15.266 121 H LYS 15 H LYS 15 3.278 3.637 -15.954 122 HA LYS 15 HA LYS 15 5.638 2.462 -17.039 123 1HB LYS 15 3HB LYS 15 4.183 0.393 -17.270 124 2HB LYS 15 2HB LYS 15 4.241 1.080 -15.647 125 1HG LYS 15 2HG LYS 15 2.041 1.561 -15.665 126 2HG LYS 15 1HG LYS 15 2.133 2.273 -17.278 127 1HD LYS 15 2HD LYS 15 2.455 -0.643 -17.282 128 2HD LYS 15 1HD LYS 15 0.891 -0.117 -16.661 129 1HE LYS 15 2HE LYS 15 0.468 -0.220 -18.955 130 2HE LYS 15 1HE LYS 15 0.907 1.476 -18.751 131 1HZ LYS 15 1HZ LYS 15 3.250 -0.014 -19.116 132 2HZ LYS 15 2HZ LYS 15 2.589 1.177 -20.131 133 3HZ LYS 15 3HZ LYS 15 2.159 -0.454 -20.338 134 H ASP 16 H ASP 16 2.688 3.676 -18.408 135 HA ASP 16 HA ASP 16 3.440 2.657 -21.076 136 1HB ASP 16 3HB ASP 16 0.966 3.110 -19.868 137 2HB ASP 16 2HB ASP 16 1.151 4.475 -20.968 138 H GLU 17 H GLU 17 3.219 5.539 -19.151 139 HA GLU 17 HA GLU 17 3.772 7.444 -21.226 140 1HB GLU 17 3HB GLU 17 3.362 7.376 -18.402 141 2HB GLU 17 2HB GLU 17 4.830 8.294 -18.719 142 1HG GLU 17 2HG GLU 17 2.756 8.941 -20.630 143 2HG GLU 17 1HG GLU 17 2.185 9.158 -18.980 144 H ARG 18 H ARG 18 5.722 5.411 -19.117 145 HA ARG 18 HA ARG 18 8.244 6.618 -19.986 146 1HB ARG 18 3HB ARG 18 9.320 5.117 -18.537 147 2HB ARG 18 2HB ARG 18 7.774 5.359 -17.746 148 1HG ARG 18 2HG ARG 18 7.283 3.173 -17.896 149 2HG ARG 18 1HG ARG 18 7.598 3.156 -19.621 150 1HD ARG 18 2HD ARG 18 9.924 2.748 -19.305 151 2HD ARG 18 1HD ARG 18 9.825 3.137 -17.589 152 HE ARG 18 HE ARG 18 9.117 0.926 -17.198 153 1HH1 ARG 18 1HH1 ARG 18 8.992 1.742 -20.544 154 2HH1 ARG 18 2HH1 ARG 18 8.363 0.205 -21.032 155 1HH2 ARG 18 1HH2 ARG 18 8.164 -1.042 -17.804 156 2HH2 ARG 18 2HH2 ARG 18 7.893 -1.369 -19.484 157 H ARG 19 H ARG 19 6.179 3.952 -20.822 158 HA ARG 19 HA ARG 19 8.000 2.735 -22.700 159 1HB ARG 19 3HB ARG 19 6.388 1.150 -22.786 160 2HB ARG 19 2HB ARG 19 5.579 2.045 -21.527 161 1HG ARG 19 2HG ARG 19 3.836 2.350 -22.900 162 2HG ARG 19 1HG ARG 19 4.846 3.274 -23.994 163 1HD ARG 19 2HD ARG 19 5.018 0.287 -24.058 164 2HD ARG 19 1HD ARG 19 3.646 1.080 -24.832 165 HE ARG 19 HE ARG 19 6.113 2.322 -25.651 166 1HH1 ARG 19 1HH1 ARG 19 3.532 0.394 -26.597 167 2HH1 ARG 19 2HH1 ARG 19 4.339 -0.330 -27.947 168 1HH2 ARG 19 1HH2 ARG 19 7.436 1.013 -27.155 169 2HH2 ARG 19 2HH2 ARG 19 6.550 0.021 -28.264 170 H LYS 20 H LYS 20 5.480 5.165 -22.750 171 HA LYS 20 HA LYS 20 5.529 5.570 -25.598 172 1HB LYS 20 3HB LYS 20 4.028 6.542 -23.385 173 2HB LYS 20 2HB LYS 20 4.688 7.940 -24.232 174 1HG LYS 20 2HG LYS 20 3.704 7.265 -26.302 175 2HG LYS 20 1HG LYS 20 3.280 5.679 -25.658 176 1HD LYS 20 2HD LYS 20 1.393 6.458 -24.666 177 2HD LYS 20 1HD LYS 20 2.202 7.913 -24.080 178 1HE LYS 20 2HE LYS 20 2.031 8.087 -26.928 179 2HE LYS 20 1HE LYS 20 0.435 7.664 -26.309 180 1HZ LYS 20 1HZ LYS 20 0.319 9.566 -25.046 181 2HZ LYS 20 2HZ LYS 20 1.139 10.129 -26.424 182 3HZ LYS 20 3HZ LYS 20 2.001 9.784 -25.002 183 H ILE 21 H ILE 21 7.430 6.687 -22.959 184 HA ILE 21 HA ILE 21 8.662 8.783 -24.637 185 HB ILE 21 HB ILE 21 8.184 8.426 -21.811 186 1HG1 ILE 21 2HG1 ILE 21 9.499 10.898 -22.553 187 2HG1 ILE 21 1HG1 ILE 21 8.264 10.460 -23.735 188 1HG2 ILE 21 1HG2 ILE 21 10.996 9.341 -22.395 189 2HG2 ILE 21 2HG2 ILE 21 10.637 7.674 -21.948 190 3HG2 ILE 21 3HG2 ILE 21 10.263 8.987 -20.833 191 1HD1 ILE 21 1HD1 ILE 21 6.995 9.888 -21.369 192 2HD1 ILE 21 2HD1 ILE 21 6.811 11.398 -22.264 193 3HD1 ILE 21 3HD1 ILE 21 7.959 11.298 -20.929 194 H LEU 22 H LEU 22 9.524 5.891 -22.833 195 HA LEU 22 HA LEU 22 12.262 5.709 -23.330 196 1HB LEU 22 3HB LEU 22 10.799 4.131 -22.055 197 2HB LEU 22 2HB LEU 22 10.253 3.470 -23.584 198 HG LEU 22 HG LEU 22 12.772 3.190 -24.110 199 1HD1 LEU 22 1HD1 LEU 22 14.291 3.394 -22.419 200 2HD1 LEU 22 2HD1 LEU 22 13.155 2.820 -21.198 201 3HD1 LEU 22 3HD1 LEU 22 13.087 4.493 -21.748 202 1HD2 LEU 22 1HD2 LEU 22 10.822 1.608 -22.676 203 2HD2 LEU 22 2HD2 LEU 22 12.460 1.174 -22.183 204 3HD2 LEU 22 3HD2 LEU 22 11.999 1.095 -23.885 205 H GLN 23 H GLN 23 9.554 5.191 -25.432 206 HA GLN 23 HA GLN 23 10.904 3.889 -27.574 207 1HB GLN 23 3HB GLN 23 9.023 4.538 -28.926 208 2HB GLN 23 2HB GLN 23 8.409 4.128 -27.330 209 1HG GLN 23 2HG GLN 23 8.536 6.520 -26.725 210 2HG GLN 23 1HG GLN 23 9.002 6.886 -28.380 211 1HE2 GLN 23 1HE2 GLN 23 7.251 7.550 -29.622 212 2HE2 GLN 23 2HE2 GLN 23 5.655 7.003 -29.436 213 H ALA 24 H ALA 24 10.284 7.148 -26.702 214 HA ALA 24 HA ALA 24 11.709 8.324 -28.934 215 1HB ALA 24 1HB ALA 24 11.171 9.874 -26.451 216 2HB ALA 24 2HB ALA 24 9.772 9.260 -27.329 217 3HB ALA 24 3HB ALA 24 10.915 10.335 -28.134 218 H PHE 25 H PHE 25 12.514 6.970 -25.914 219 HA PHE 25 HA PHE 25 15.313 7.718 -26.263 220 1HB PHE 25 3HB PHE 25 14.040 8.195 -23.568 221 2HB PHE 25 2HB PHE 25 15.610 8.748 -24.150 222 HD1 PHE 25 HD1 PHE 25 12.126 9.544 -23.813 223 HD2 PHE 25 HD2 PHE 25 15.646 10.424 -26.103 224 HE1 PHE 25 HE1 PHE 25 11.086 11.656 -24.591 225 HE2 PHE 25 HE2 PHE 25 14.608 12.537 -26.885 226 HZ PHE 25 HZ PHE 25 12.328 13.153 -26.130 227 HA PRO 26 HA PRO 26 14.433 3.378 -24.926 228 1HB PRO 26 3HB PRO 26 16.222 2.330 -26.739 229 2HB PRO 26 2HB PRO 26 14.505 2.604 -27.080 230 1HG PRO 26 2HG PRO 26 16.877 4.254 -27.903 231 2HG PRO 26 1HG PRO 26 15.366 3.947 -28.779 232 1HD PRO 26 2HD PRO 26 15.863 6.305 -27.408 233 2HD PRO 26 1HD PRO 26 14.239 5.662 -27.699 234 H ASP 27 H ASP 27 16.988 5.561 -24.788 235 HA ASP 27 HA ASP 27 18.760 3.634 -23.373 236 1HB ASP 27 3HB ASP 27 19.285 5.792 -25.134 237 2HB ASP 27 2HB ASP 27 19.896 6.234 -23.544 238 H MET 28 H MET 28 16.797 6.470 -23.095 239 HA MET 28 HA MET 28 17.568 7.337 -20.497 240 1HB MET 28 3HB MET 28 15.957 8.426 -22.291 241 2HB MET 28 2HB MET 28 14.749 7.537 -21.370 242 1HG MET 28 2HG MET 28 15.270 8.654 -19.359 243 2HG MET 28 1HG MET 28 16.791 9.269 -20.005 244 1HE MET 28 1HE MET 28 16.810 10.133 -22.237 245 2HE MET 28 2HE MET 28 16.386 11.843 -22.184 246 3HE MET 28 3HE MET 28 15.419 10.732 -23.151 247 H HIS 29 H HIS 29 17.819 5.454 -19.291 248 HA HIS 29 HA HIS 29 15.642 3.559 -19.073 249 1HB HIS 29 3HB HIS 29 17.079 2.357 -17.582 250 2HB HIS 29 2HB HIS 29 18.064 2.983 -18.902 251 HD1 HIS 29 HD1 HIS 29 18.876 2.382 -15.764 252 HD2 HIS 29 HD2 HIS 29 18.425 6.074 -17.642 253 HE1 HIS 29 HE1 HIS 29 20.273 4.031 -14.446 254 H ASN 30 H ASN 30 15.377 2.903 -16.480 255 HA ASN 30 HA ASN 30 13.417 4.593 -15.463 256 1HB ASN 30 3HB ASN 30 14.924 2.322 -14.512 257 2HB ASN 30 2HB ASN 30 14.672 3.472 -13.199 258 1HD2 ASN 30 1HD2 ASN 30 12.841 2.821 -12.061 259 2HD2 ASN 30 2HD2 ASN 30 11.387 2.306 -12.767 260 H SER 31 H SER 31 16.651 4.377 -13.942 261 HA SER 31 HA SER 31 16.599 6.441 -12.191 262 1HB SER 31 3HB SER 31 18.826 6.160 -12.126 263 2HB SER 31 2HB SER 31 18.616 5.021 -13.444 264 HG SER 31 HG SER 31 19.304 7.759 -13.529 265 H ASN 32 H ASN 32 16.552 6.863 -15.684 266 HA ASN 32 HA ASN 32 16.697 9.806 -15.296 267 1HB ASN 32 3HB ASN 32 17.732 8.076 -17.262 268 2HB ASN 32 2HB ASN 32 16.503 9.071 -18.033 269 1HD2 ASN 32 1HD2 ASN 32 18.447 10.097 -19.169 270 2HD2 ASN 32 2HD2 ASN 32 19.281 11.331 -18.355 271 H ILE 33 H ILE 33 14.763 7.419 -17.111 272 HA ILE 33 HA ILE 33 12.693 9.141 -17.924 273 HB ILE 33 HB ILE 33 12.516 6.248 -17.042 274 1HG1 ILE 33 2HG1 ILE 33 14.040 6.971 -18.994 275 2HG1 ILE 33 1HG1 ILE 33 12.857 5.704 -19.328 276 1HG2 ILE 33 1HG2 ILE 33 10.278 6.550 -17.199 277 2HG2 ILE 33 2HG2 ILE 33 10.531 6.763 -18.932 278 3HG2 ILE 33 3HG2 ILE 33 10.475 8.170 -17.870 279 1HD1 ILE 33 1HD1 ILE 33 11.310 7.398 -20.239 280 2HD1 ILE 33 2HD1 ILE 33 12.840 7.398 -21.117 281 3HD1 ILE 33 3HD1 ILE 33 12.503 8.656 -19.927 282 H SER 34 H SER 34 13.406 7.798 -14.794 283 HA SER 34 HA SER 34 10.971 8.070 -13.438 284 1HB SER 34 3HB SER 34 13.805 8.070 -12.741 285 2HB SER 34 2HB SER 34 12.837 9.052 -11.646 286 HG SER 34 HG SER 34 12.521 6.318 -12.328 287 H LYS 35 H LYS 35 13.457 10.575 -14.007 288 HA LYS 35 HA LYS 35 11.962 12.655 -12.725 289 1HB LYS 35 3HB LYS 35 13.985 13.017 -14.946 290 2HB LYS 35 2HB LYS 35 13.571 14.166 -13.674 291 1HG LYS 35 2HG LYS 35 14.840 13.094 -12.102 292 2HG LYS 35 1HG LYS 35 14.518 11.497 -12.776 293 1HD LYS 35 2HD LYS 35 16.329 11.573 -14.146 294 2HD LYS 35 1HD LYS 35 16.069 13.269 -14.547 295 1HE LYS 35 2HE LYS 35 17.371 14.022 -12.814 296 2HE LYS 35 1HE LYS 35 16.930 12.678 -11.762 297 1HZ LYS 35 1HZ LYS 35 19.226 12.502 -12.441 298 2HZ LYS 35 2HZ LYS 35 18.782 12.549 -14.080 299 3HZ LYS 35 3HZ LYS 35 18.330 11.228 -13.113 300 H ILE 36 H ILE 36 12.056 11.219 -15.859 301 HA ILE 36 HA ILE 36 10.562 13.234 -17.232 302 HB ILE 36 HB ILE 36 11.267 10.405 -17.781 303 1HG1 ILE 36 2HG1 ILE 36 12.352 11.482 -19.768 304 2HG1 ILE 36 1HG1 ILE 36 11.815 13.045 -19.152 305 1HG2 ILE 36 1HG2 ILE 36 9.340 10.191 -18.973 306 2HG2 ILE 36 2HG2 ILE 36 10.145 11.238 -20.141 307 3HG2 ILE 36 3HG2 ILE 36 9.037 11.928 -18.954 308 1HD1 ILE 36 1HD1 ILE 36 13.087 12.690 -17.083 309 2HD1 ILE 36 2HD1 ILE 36 14.150 12.558 -18.483 310 3HD1 ILE 36 3HD1 ILE 36 13.597 11.101 -17.658 311 H LEU 37 H LEU 37 9.684 10.019 -16.069 312 HA LEU 37 HA LEU 37 6.886 10.200 -16.481 313 1HB LEU 37 3HB LEU 37 8.587 8.694 -14.508 314 2HB LEU 37 2HB LEU 37 6.839 8.533 -14.561 315 HG LEU 37 HG LEU 37 8.761 7.972 -16.829 316 1HD1 LEU 37 1HD1 LEU 37 6.964 5.864 -15.953 317 2HD1 LEU 37 2HD1 LEU 37 7.982 6.441 -14.633 318 3HD1 LEU 37 3HD1 LEU 37 8.719 5.841 -16.118 319 1HD2 LEU 37 1HD2 LEU 37 6.989 8.254 -18.202 320 2HD2 LEU 37 2HD2 LEU 37 5.945 8.626 -16.831 321 3HD2 LEU 37 3HD2 LEU 37 6.165 6.953 -17.343 322 H GLY 38 H GLY 38 8.667 10.500 -13.423 323 1HA GLY 38 2HA GLY 38 6.533 11.415 -11.831 324 2HA GLY 38 1HA GLY 38 8.226 11.789 -11.505 325 H SER 39 H SER 39 8.164 13.029 -14.370 326 HA SER 39 HA SER 39 7.190 15.650 -13.418 327 1HB SER 39 3HB SER 39 9.078 14.925 -15.673 328 2HB SER 39 2HB SER 39 8.541 16.566 -15.325 329 HG SER 39 HG SER 39 10.594 15.850 -14.351 330 H ARG 40 H ARG 40 6.582 13.062 -15.514 331 HA ARG 40 HA ARG 40 4.872 14.591 -17.328 332 1HB ARG 40 3HB ARG 40 5.866 11.811 -17.034 333 2HB ARG 40 2HB ARG 40 4.452 12.101 -18.018 334 1HG ARG 40 2HG ARG 40 6.704 13.956 -18.458 335 2HG ARG 40 1HG ARG 40 6.999 12.288 -18.947 336 1HD ARG 40 2HD ARG 40 5.076 12.288 -20.374 337 2HD ARG 40 1HD ARG 40 4.540 13.848 -19.758 338 HE ARG 40 HE ARG 40 7.036 13.513 -21.378 339 1HH1 ARG 40 1HH2 ARG 40 5.317 15.789 -19.668 340 2HH1 ARG 40 2HH2 ARG 40 5.117 16.903 -20.980 341 1HH2 ARG 40 1HH1 ARG 40 6.328 14.712 -23.377 342 2HH2 ARG 40 2HH1 ARG 40 5.690 16.294 -23.077 343 H TRP 41 H TRP 41 4.916 12.678 -14.498 344 HA TRP 41 HA TRP 41 2.169 11.959 -14.269 345 1HB TRP 41 3HB TRP 41 4.044 10.940 -13.000 346 2HB TRP 41 2HB TRP 41 4.231 12.456 -12.125 347 HD1 TRP 41 HD1 TRP 41 3.011 12.403 -9.881 348 HE1 TRP 41 HE1 TRP 41 0.860 11.275 -8.969 349 HE3 TRP 41 HE3 TRP 41 1.423 10.137 -14.087 350 HZ2 TRP 41 HZ2 TRP 41 -1.286 9.596 -9.980 351 HZ3 TRP 41 HZ3 TRP 41 -0.645 8.785 -14.120 352 HH2 TRP 41 HH2 TRP 41 -2.005 8.520 -12.135 353 H LYS 42 H LYS 42 4.036 14.370 -12.416 354 HA LYS 42 HA LYS 42 1.722 15.597 -11.305 355 1HB LYS 42 3HB LYS 42 4.537 16.621 -11.745 356 2HB LYS 42 2HB LYS 42 3.308 17.523 -10.854 357 1HG LYS 42 2HG LYS 42 3.047 15.683 -9.282 358 2HG LYS 42 1HG LYS 42 4.190 14.702 -10.194 359 1HD LYS 42 2HD LYS 42 5.316 15.707 -8.268 360 2HD LYS 42 1HD LYS 42 5.955 16.391 -9.762 361 1HE LYS 42 2HE LYS 42 3.787 18.036 -9.128 362 2HE LYS 42 1HE LYS 42 4.563 17.721 -7.576 363 1HZ LYS 42 1HZ LYS 42 5.397 19.477 -9.545 364 2HZ LYS 42 2HZ LYS 42 6.515 18.197 -9.563 365 3HZ LYS 42 3HZ LYS 42 6.224 19.055 -8.125 366 H ALA 43 H ALA 43 3.084 15.667 -14.371 367 HA ALA 43 HA ALA 43 2.007 18.239 -15.166 368 1HB ALA 43 1HB ALA 43 3.617 16.140 -16.625 369 2HB ALA 43 2HB ALA 43 4.205 17.686 -16.011 370 3HB ALA 43 3HB ALA 43 3.078 17.647 -17.367 371 H MET 44 H MET 44 -0.020 16.581 -14.385 372 HA MET 44 HA MET 44 -1.213 15.703 -16.967 373 1HB MET 44 3HB MET 44 -2.336 13.939 -15.558 374 2HB MET 44 2HB MET 44 -0.592 13.784 -15.635 375 1HG MET 44 2HG MET 44 -0.446 15.068 -13.498 376 2HG MET 44 1HG MET 44 -2.175 15.035 -13.398 377 1HE MET 44 1HE MET 44 -2.919 12.108 -14.548 378 2HE MET 44 2HE MET 44 -1.780 10.826 -14.153 379 3HE MET 44 3HE MET 44 -1.306 12.092 -15.272 380 H THR 45 H THR 45 -3.698 15.074 -15.245 381 HA THR 45 HA THR 45 -4.541 17.873 -14.662 382 HB THR 45 HB THR 45 -6.794 16.730 -15.763 383 HG1 THR 45 HG1 THR 45 -6.211 15.557 -17.446 384 1HG2 THR 45 1HG2 THR 45 -6.688 18.610 -17.017 385 2HG2 THR 45 2HG2 THR 45 -5.130 18.156 -17.706 386 3HG2 THR 45 3HG2 THR 45 -5.200 18.957 -16.137 387 H ASN 46 H ASN 46 -4.085 15.018 -13.304 388 HA ASN 46 HA ASN 46 -4.956 14.049 -11.346 389 1HB ASN 46 3HB ASN 46 -6.990 16.289 -11.337 390 2HB ASN 46 2HB ASN 46 -6.427 15.337 -9.964 391 1HD2 ASN 46 1HD2 ASN 46 -5.869 18.216 -11.748 392 2HD2 ASN 46 2HD2 ASN 46 -4.381 18.634 -11.044 393 H LEU 47 H LEU 47 -7.710 15.463 -13.135 394 HA LEU 47 HA LEU 47 -9.467 13.271 -12.654 395 1HB LEU 47 3HB LEU 47 -10.155 15.531 -13.521 396 2HB LEU 47 2HB LEU 47 -9.502 15.056 -15.091 397 HG LEU 47 HG LEU 47 -11.113 12.906 -14.196 398 1HD1 LEU 47 1HD1 LEU 47 -13.071 13.780 -13.400 399 2HD1 LEU 47 2HD1 LEU 47 -12.909 15.266 -14.334 400 3HD1 LEU 47 3HD1 LEU 47 -12.007 15.067 -12.832 401 1HD2 LEU 47 1HD2 LEU 47 -12.345 13.393 -16.227 402 2HD2 LEU 47 2HD2 LEU 47 -10.634 13.695 -16.527 403 3HD2 LEU 47 3HD2 LEU 47 -11.731 15.047 -16.247 404 H GLU 48 H GLU 48 -6.748 13.580 -14.711 405 HA GLU 48 HA GLU 48 -7.584 11.484 -16.582 406 1HB GLU 48 3HB GLU 48 -5.600 13.494 -16.554 407 2HB GLU 48 2HB GLU 48 -4.733 11.959 -16.554 408 1HG GLU 48 2HG GLU 48 -6.111 11.204 -18.480 409 2HG GLU 48 1HG GLU 48 -6.900 12.781 -18.509 410 H LYS 49 H LYS 49 -5.526 11.771 -13.716 411 HA LYS 49 HA LYS 49 -4.697 8.956 -13.926 412 1HB LYS 49 3HB LYS 49 -3.771 9.613 -11.514 413 2HB LYS 49 2HB LYS 49 -2.941 10.090 -12.987 414 1HG LYS 49 2HG LYS 49 -3.736 12.300 -12.872 415 2HG LYS 49 1HG LYS 49 -5.035 11.863 -11.768 416 1HD LYS 49 2HD LYS 49 -2.157 11.525 -10.959 417 2HD LYS 49 1HD LYS 49 -2.970 13.079 -10.781 418 1HE LYS 49 2HE LYS 49 -4.187 10.534 -9.706 419 2HE LYS 49 1HE LYS 49 -3.040 11.479 -8.758 420 1HZ LYS 49 1HZ LYS 49 -5.549 11.963 -8.552 421 2HZ LYS 49 2HZ LYS 49 -5.351 12.798 -10.017 422 3HZ LYS 49 3HZ LYS 49 -4.466 13.264 -8.644 423 H GLN 50 H GLN 50 -7.512 10.305 -13.056 424 HA GLN 50 HA GLN 50 -8.106 9.219 -10.502 425 1HB GLN 50 3HB GLN 50 -9.706 10.095 -12.859 426 2HB GLN 50 2HB GLN 50 -10.519 9.144 -11.615 427 1HG GLN 50 2HG GLN 50 -8.817 11.121 -10.397 428 2HG GLN 50 1HG GLN 50 -9.917 11.891 -11.539 429 1HE2 GLN 50 1HE2 GLN 50 -12.275 11.544 -11.190 430 2HE2 GLN 50 2HE2 GLN 50 -12.852 11.104 -9.656 431 HA PRO 51 HA PRO 51 -9.601 5.304 -12.775 432 1HB PRO 51 3HB PRO 51 -8.822 4.985 -15.379 433 2HB PRO 51 2HB PRO 51 -10.335 5.749 -14.882 434 1HG PRO 51 2HG PRO 51 -7.861 7.024 -15.941 435 2HG PRO 51 1HG PRO 51 -9.538 7.590 -16.029 436 1HD PRO 51 2HD PRO 51 -7.566 8.516 -14.232 437 2HD PRO 51 1HD PRO 51 -9.307 8.834 -14.118 438 H TYR 52 H TYR 52 -6.456 6.665 -13.483 439 HA TYR 52 HA TYR 52 -5.162 4.017 -13.537 440 1HB TYR 52 3HB TYR 52 -3.690 6.601 -13.078 441 2HB TYR 52 2HB TYR 52 -3.133 5.147 -13.907 442 HD1 TYR 52 HD1 TYR 52 -5.903 4.851 -15.404 443 HD2 TYR 52 HD2 TYR 52 -3.041 8.018 -14.980 444 HE1 TYR 52 HE1 TYR 52 -6.643 5.800 -17.560 445 HE2 TYR 52 HE2 TYR 52 -3.777 8.975 -17.136 446 HH TYR 52 HH TYR 52 -5.909 7.255 -19.281 447 H TYR 53 H TYR 53 -6.586 5.861 -11.244 448 HA TYR 53 HA TYR 53 -4.579 5.354 -9.158 449 1HB TYR 53 3HB TYR 53 -6.750 7.164 -9.522 450 2HB TYR 53 2HB TYR 53 -7.048 6.227 -8.060 451 HD1 TYR 53 HD1 TYR 53 -5.695 6.508 -6.105 452 HD2 TYR 53 HD2 TYR 53 -4.557 8.330 -9.819 453 HE1 TYR 53 HE1 TYR 53 -3.916 7.775 -4.939 454 HE2 TYR 53 HE2 TYR 53 -2.780 9.602 -8.658 455 HH TYR 53 HH TYR 53 -1.411 9.304 -6.509 456 H GLU 54 H GLU 54 -7.998 4.510 -9.645 457 HA GLU 54 HA GLU 54 -8.019 2.549 -7.578 458 1HB GLU 54 3HB GLU 54 -10.225 1.968 -8.429 459 2HB GLU 54 2HB GLU 54 -10.039 3.719 -8.420 460 1HG GLU 54 2HG GLU 54 -9.553 3.740 -10.794 461 2HG GLU 54 1HG GLU 54 -9.528 1.977 -10.846 462 H GLU 55 H GLU 55 -7.236 2.240 -11.028 463 HA GLU 55 HA GLU 55 -7.575 -0.613 -11.036 464 1HB GLU 55 3HB GLU 55 -6.271 1.363 -12.778 465 2HB GLU 55 2HB GLU 55 -5.708 -0.295 -12.929 466 1HG GLU 55 2HG GLU 55 -8.617 -0.134 -12.782 467 2HG GLU 55 1HG GLU 55 -7.976 0.792 -14.140 468 H GLN 56 H GLN 56 -5.213 1.440 -9.731 469 HA GLN 56 HA GLN 56 -3.220 -0.721 -9.540 470 1HB GLN 56 3HB GLN 56 -2.809 1.690 -7.958 471 2HB GLN 56 2HB GLN 56 -1.728 0.896 -9.071 472 1HG GLN 56 2HG GLN 56 -3.842 2.940 -9.652 473 2HG GLN 56 1HG GLN 56 -2.148 2.941 -10.123 474 1HE2 GLN 56 1HE2 GLN 56 -2.441 -0.023 -10.979 475 2HE2 GLN 56 2HE2 GLN 56 -3.232 0.060 -12.474 476 H ALA 57 H ALA 57 -4.947 1.407 -7.351 477 HA ALA 57 HA ALA 57 -4.358 0.195 -4.939 478 1HB ALA 57 1HB ALA 57 -5.777 2.136 -4.932 479 2HB ALA 57 2HB ALA 57 -6.713 0.824 -4.216 480 3HB ALA 57 3HB ALA 57 -7.008 1.309 -5.886 481 H ARG 58 H ARG 58 -6.505 -1.028 -7.481 482 HA ARG 58 HA ARG 58 -7.562 -3.182 -5.836 483 1HB ARG 58 3HB ARG 58 -7.551 -2.529 -8.764 484 2HB ARG 58 2HB ARG 58 -7.980 -4.163 -8.256 485 1HG ARG 58 2HG ARG 58 -9.304 -1.595 -7.335 486 2HG ARG 58 1HG ARG 58 -10.004 -2.804 -8.410 487 1HD ARG 58 2HD ARG 58 -9.622 -4.483 -6.496 488 2HD ARG 58 1HD ARG 58 -9.364 -3.071 -5.470 489 HE ARG 58 HE ARG 58 -11.840 -2.933 -7.008 490 1HH1 ARG 58 1HH2 ARG 58 -10.433 -2.829 -3.973 491 2HH1 ARG 58 2HH2 ARG 58 -11.799 -3.462 -3.118 492 1HH2 ARG 58 1HH1 ARG 58 -13.548 -4.291 -5.993 493 2HH2 ARG 58 2HH1 ARG 58 -13.563 -4.287 -4.261 494 H LEU 59 H LEU 59 -5.260 -3.185 -8.538 495 HA LEU 59 HA LEU 59 -4.314 -5.851 -8.026 496 1HB LEU 59 3HB LEU 59 -2.546 -5.240 -9.661 497 2HB LEU 59 2HB LEU 59 -4.156 -4.826 -10.240 498 HG LEU 59 HG LEU 59 -3.722 -2.492 -9.211 499 1HD1 LEU 59 1HD1 LEU 59 -1.776 -2.257 -8.100 500 2HD1 LEU 59 2HD1 LEU 59 -0.931 -2.466 -9.635 501 3HD1 LEU 59 3HD1 LEU 59 -1.244 -3.862 -8.604 502 1HD2 LEU 59 1HD2 LEU 59 -3.385 -1.910 -11.369 503 2HD2 LEU 59 2HD2 LEU 59 -3.181 -3.624 -11.734 504 3HD2 LEU 59 3HD2 LEU 59 -1.774 -2.626 -11.362 505 H SER 60 H SER 60 -3.466 -2.754 -6.685 506 HA SER 60 HA SER 60 -0.779 -3.486 -5.858 507 1HB SER 60 3HB SER 60 -1.249 -1.139 -6.033 508 2HB SER 60 2HB SER 60 -2.687 -1.286 -5.027 509 HG SER 60 HG SER 60 -0.405 -0.600 -4.172 510 H LYS 61 H LYS 61 -3.967 -3.425 -4.358 511 HA LYS 61 HA LYS 61 -3.245 -4.176 -1.735 512 1HB LYS 61 3HB LYS 61 -5.555 -3.543 -2.697 513 2HB LYS 61 2HB LYS 61 -5.674 -5.233 -3.189 514 1HG LYS 61 2HG LYS 61 -6.729 -5.045 -1.028 515 2HG LYS 61 1HG LYS 61 -5.187 -5.868 -0.787 516 1HD LYS 61 2HD LYS 61 -4.763 -3.031 -0.635 517 2HD LYS 61 1HD LYS 61 -6.082 -3.472 0.448 518 1HE LYS 61 2HE LYS 61 -4.739 -4.967 1.677 519 2HE LYS 61 1HE LYS 61 -3.533 -5.078 0.395 520 1HZ LYS 61 1HZ LYS 61 -2.877 -3.677 2.326 521 2HZ LYS 61 2HZ LYS 61 -4.105 -2.585 1.894 522 3HZ LYS 61 3HZ LYS 61 -2.812 -2.879 0.831 523 H GLN 62 H GLN 62 -4.090 -6.204 -4.532 524 HA GLN 62 HA GLN 62 -3.268 -8.646 -3.132 525 1HB GLN 62 3HB GLN 62 -3.823 -9.766 -5.257 526 2HB GLN 62 2HB GLN 62 -5.127 -8.688 -4.757 527 1HG GLN 62 2HG GLN 62 -4.966 -7.822 -6.846 528 2HG GLN 62 1HG GLN 62 -3.520 -7.010 -6.241 529 1HE2 GLN 62 1HE2 GLN 62 -4.659 -9.310 -8.533 530 2HE2 GLN 62 2HE2 GLN 62 -3.145 -9.889 -9.039 531 H HIS 63 H HIS 63 -1.529 -6.183 -4.500 532 HA HIS 63 HA HIS 63 0.422 -7.785 -5.976 533 1HB HIS 63 3HB HIS 63 -0.053 -5.320 -6.405 534 2HB HIS 63 2HB HIS 63 0.819 -4.981 -4.913 535 HD1 HIS 63 HD1 HIS 63 2.003 -7.837 -6.971 536 HD2 HIS 63 HD2 HIS 63 2.945 -3.804 -6.497 537 HE1 HIS 63 HE1 HIS 63 4.228 -7.483 -8.126 538 H LEU 64 H LEU 64 0.707 -5.814 -3.018 539 HA LEU 64 HA LEU 64 3.122 -7.258 -2.244 540 1HB LEU 64 3HB LEU 64 1.536 -4.978 -1.149 541 2HB LEU 64 2HB LEU 64 2.600 -5.850 -0.047 542 HG LEU 64 HG LEU 64 3.544 -4.834 -2.732 543 1HD1 LEU 64 1HD1 LEU 64 3.294 -2.752 -1.867 544 2HD1 LEU 64 2HD1 LEU 64 4.657 -3.174 -0.830 545 3HD1 LEU 64 3HD1 LEU 64 3.007 -3.369 -0.240 546 1HD2 LEU 64 1HD2 LEU 64 4.804 -5.959 -0.240 547 2HD2 LEU 64 2HD2 LEU 64 5.736 -4.902 -1.299 548 3HD2 LEU 64 3HD2 LEU 64 5.077 -6.414 -1.921 549 H GLU 65 H GLU 65 -0.250 -7.144 -1.135 550 HA GLU 65 HA GLU 65 0.027 -8.797 1.121 551 1HB GLU 65 3HB GLU 65 -2.232 -8.443 -0.854 552 2HB GLU 65 2HB GLU 65 -2.376 -9.520 0.535 553 1HG GLU 65 2HG GLU 65 -1.417 -7.336 1.786 554 2HG GLU 65 1HG GLU 65 -2.253 -6.549 0.448 555 H LYS 66 H LYS 66 0.334 -9.502 -2.238 556 HA LYS 66 HA LYS 66 0.345 -12.425 -1.661 557 1HB LYS 66 3HB LYS 66 -0.094 -10.875 -4.222 558 2HB LYS 66 2HB LYS 66 0.105 -12.617 -4.161 559 1HG LYS 66 2HG LYS 66 -1.839 -11.814 -2.196 560 2HG LYS 66 1HG LYS 66 -2.284 -11.157 -3.771 561 1HD LYS 66 2HD LYS 66 -1.582 -14.060 -3.249 562 2HD LYS 66 1HD LYS 66 -3.225 -13.432 -3.394 563 1HE LYS 66 2HE LYS 66 -1.944 -12.430 -5.649 564 2HE LYS 66 1HE LYS 66 -1.292 -14.061 -5.494 565 1HZ LYS 66 1HZ LYS 66 -4.189 -13.437 -5.366 566 2HZ LYS 66 2HZ LYS 66 -3.466 -14.969 -5.485 567 3HZ LYS 66 3HZ LYS 66 -3.394 -13.889 -6.795 568 H TYR 67 H TYR 67 2.054 -9.807 -3.338 569 HA TYR 67 HA TYR 67 4.475 -11.562 -3.451 570 1HB TYR 67 3HB TYR 67 3.819 -9.101 -5.099 571 2HB TYR 67 2HB TYR 67 5.254 -10.109 -5.277 572 HD1 TYR 67 HD1 TYR 67 5.212 -12.014 -6.665 573 HD2 TYR 67 HD2 TYR 67 1.519 -10.237 -5.379 574 HE1 TYR 67 HE1 TYR 67 3.957 -13.527 -8.176 575 HE2 TYR 67 HE2 TYR 67 0.264 -11.750 -6.891 576 HH TYR 67 HH TYR 67 1.967 -14.132 -8.932 577 HA PRO 68 HA PRO 68 5.585 -8.397 -0.364 578 1HB PRO 68 3HB PRO 68 7.032 -10.139 1.180 579 2HB PRO 68 2HB PRO 68 5.283 -9.913 1.345 580 1HG PRO 68 2HG PRO 68 6.773 -12.190 0.125 581 2HG PRO 68 1HG PRO 68 5.164 -12.171 0.865 582 1HD PRO 68 2HD PRO 68 5.713 -12.170 -1.914 583 2HD PRO 68 1HD PRO 68 4.142 -11.828 -1.159 584 H ASP 69 H ASP 69 8.060 -10.912 -0.550 585 HA ASP 69 HA ASP 69 10.048 -8.916 -1.302 586 1HB ASP 69 3HB ASP 69 11.602 -10.975 -1.114 587 2HB ASP 69 2HB ASP 69 10.852 -10.385 0.369 588 H TYR 70 H TYR 70 8.604 -8.875 -3.419 589 HA TYR 70 HA TYR 70 8.786 -10.960 -5.318 590 1HB TYR 70 3HB TYR 70 8.289 -9.198 -6.995 591 2HB TYR 70 2HB TYR 70 7.240 -9.077 -5.581 592 HD1 TYR 70 HD1 TYR 70 10.504 -7.795 -6.907 593 HD2 TYR 70 HD2 TYR 70 7.074 -7.044 -4.434 594 HE1 TYR 70 HE1 TYR 70 11.298 -5.479 -6.509 595 HE2 TYR 70 HE2 TYR 70 7.867 -4.728 -4.037 596 HH TYR 70 HH TYR 70 9.320 -3.136 -4.759 Start of MODEL 21 1 HA PRO 1 HA PRO 1 1.041 -7.827 2.407 2 1HB PRO 1 3HB PRO 1 2.129 -10.024 3.892 3 2HB PRO 1 2HB PRO 1 0.691 -9.062 4.266 4 1HG PRO 1 2HG PRO 1 0.798 -11.764 3.328 5 2HG PRO 1 1HG PRO 1 -0.636 -10.789 3.680 6 1HD PRO 1 2HD PRO 1 0.380 -11.575 1.114 7 2HD PRO 1 1HD PRO 1 -1.065 -10.624 1.471 8 H HIS 2 H HIS 2 2.911 -10.653 1.276 9 HA HIS 2 HA HIS 2 5.437 -9.232 1.804 10 1HB HIS 2 3HB HIS 2 4.941 -11.808 2.033 11 2HB HIS 2 2HB HIS 2 5.255 -11.825 0.298 12 HD1 HIS 2 HD1 HIS 2 7.002 -9.792 3.007 13 HD2 HIS 2 HD2 HIS 2 7.878 -12.719 0.170 14 HE1 HIS 2 HE1 HIS 2 9.511 -10.132 3.080 15 H ILE 3 H ILE 3 3.851 -7.859 -0.016 16 HA ILE 3 HA ILE 3 5.612 -7.909 -2.381 17 HB ILE 3 HB ILE 3 3.012 -7.592 -3.454 18 1HG1 ILE 3 2HG1 ILE 3 3.266 -10.098 -1.756 19 2HG1 ILE 3 1HG1 ILE 3 2.129 -8.777 -1.476 20 1HG2 ILE 3 1HG2 ILE 3 3.654 -9.660 -4.698 21 2HG2 ILE 3 2HG2 ILE 3 5.014 -9.863 -3.594 22 3HG2 ILE 3 3HG2 ILE 3 4.944 -8.458 -4.659 23 1HD1 ILE 3 1HD1 ILE 3 2.237 -10.455 -3.999 24 2HD1 ILE 3 2HD1 ILE 3 1.059 -9.193 -3.634 25 3HD1 ILE 3 3HD1 ILE 3 1.079 -10.682 -2.689 26 H LYS 4 H LYS 4 5.758 -5.935 -0.600 27 HA LYS 4 HA LYS 4 3.829 -3.817 -0.960 28 1HB LYS 4 3HB LYS 4 6.239 -4.247 0.562 29 2HB LYS 4 2HB LYS 4 6.322 -2.678 -0.242 30 1HG LYS 4 2HG LYS 4 3.827 -2.464 0.607 31 2HG LYS 4 1HG LYS 4 4.349 -3.663 1.791 32 1HD LYS 4 2HD LYS 4 5.696 -2.184 2.880 33 2HD LYS 4 1HD LYS 4 6.231 -1.421 1.384 34 1HE LYS 4 2HE LYS 4 4.152 -0.167 1.223 35 2HE LYS 4 1HE LYS 4 3.500 -1.005 2.630 36 1HZ LYS 4 1HZ LYS 4 4.310 1.041 3.410 37 2HZ LYS 4 2HZ LYS 4 5.757 0.909 2.531 38 3HZ LYS 4 3HZ LYS 4 5.479 -0.101 3.870 39 H ARG 5 H ARG 5 4.090 -4.425 -3.471 40 HA ARG 5 HA ARG 5 6.302 -3.241 -4.884 41 1HB ARG 5 3HB ARG 5 4.549 -4.984 -5.702 42 2HB ARG 5 2HB ARG 5 3.550 -3.576 -6.061 43 1HG ARG 5 2HG ARG 5 4.660 -3.426 -8.020 44 2HG ARG 5 1HG ARG 5 6.062 -2.910 -7.085 45 1HD ARG 5 2HD ARG 5 6.494 -5.444 -6.731 46 2HD ARG 5 1HD ARG 5 5.385 -5.670 -8.084 47 HE ARG 5 HE ARG 5 7.584 -3.773 -8.566 48 1HH1 ARG 5 1HH2 ARG 5 7.529 -7.061 -8.082 49 2HH1 ARG 5 2HH2 ARG 5 8.058 -7.498 -9.673 50 1HH2 ARG 5 1HH1 ARG 5 7.759 -4.287 -10.944 51 2HH2 ARG 5 2HH1 ARG 5 8.189 -5.928 -11.293 52 HA PRO 6 HA PRO 6 4.855 0.943 -4.354 53 1HB PRO 6 3HB PRO 6 6.926 2.113 -5.733 54 2HB PRO 6 2HB PRO 6 7.059 1.554 -4.056 55 1HG PRO 6 2HG PRO 6 8.145 0.311 -6.542 56 2HG PRO 6 1HG PRO 6 8.747 0.205 -4.879 57 1HD PRO 6 2HD PRO 6 7.258 -1.785 -6.218 58 2HD PRO 6 1HD PRO 6 7.550 -1.708 -4.468 59 H MET 7 H MET 7 3.155 -0.030 -6.059 60 HA MET 7 HA MET 7 3.609 1.232 -8.693 61 1HB MET 7 3HB MET 7 1.371 -0.209 -9.087 62 2HB MET 7 2HB MET 7 2.980 -0.897 -9.299 63 1HG MET 7 2HG MET 7 2.946 -1.902 -7.153 64 2HG MET 7 1HG MET 7 1.561 -0.941 -6.645 65 1HE MET 7 1HE MET 7 2.741 -4.285 -8.021 66 2HE MET 7 2HE MET 7 2.823 -3.225 -9.427 67 3HE MET 7 3HE MET 7 1.689 -4.574 -9.415 68 H ASN 8 H ASN 8 1.556 2.221 -9.581 69 HA ASN 8 HA ASN 8 -0.613 2.908 -7.921 70 1HB ASN 8 3HB ASN 8 0.591 4.228 -6.477 71 2HB ASN 8 2HB ASN 8 1.784 4.599 -7.695 72 1HD2 ASN 8 1HD2 ASN 8 -1.365 5.547 -6.421 73 2HD2 ASN 8 2HD2 ASN 8 -1.462 7.018 -7.262 74 H ALA 9 H ALA 9 -1.701 4.990 -8.979 75 HA ALA 9 HA ALA 9 -2.095 4.464 -11.702 76 1HB ALA 9 1HB ALA 9 -2.918 6.899 -11.785 77 2HB ALA 9 2HB ALA 9 -2.486 6.984 -10.077 78 3HB ALA 9 3HB ALA 9 -3.717 5.843 -10.621 79 H PHE 10 H PHE 10 0.241 6.452 -10.064 80 HA PHE 10 HA PHE 10 1.245 7.754 -12.385 81 1HB PHE 10 3HB PHE 10 1.683 8.761 -10.342 82 2HB PHE 10 2HB PHE 10 2.246 7.265 -9.618 83 HD1 PHE 10 HD1 PHE 10 3.074 9.385 -12.602 84 HD2 PHE 10 HD2 PHE 10 4.542 7.101 -9.276 85 HE1 PHE 10 HE1 PHE 10 5.393 9.952 -13.234 86 HE2 PHE 10 HE2 PHE 10 6.872 7.670 -9.912 87 HZ PHE 10 HZ PHE 10 7.298 9.097 -11.895 88 H MET 11 H MET 11 2.777 5.219 -10.399 89 HA MET 11 HA MET 11 4.728 4.582 -12.405 90 1HB MET 11 3HB MET 11 3.659 3.141 -9.977 91 2HB MET 11 2HB MET 11 4.758 2.321 -11.086 92 1HG MET 11 2HG MET 11 6.051 4.694 -10.772 93 2HG MET 11 1HG MET 11 5.292 4.529 -9.189 94 1HE MET 11 1HE MET 11 9.162 3.400 -9.184 95 2HE MET 11 2HE MET 11 8.040 4.540 -8.447 96 3HE MET 11 3HE MET 11 8.329 4.598 -10.184 97 H VAL 12 H VAL 12 1.389 4.030 -12.062 98 HA VAL 12 HA VAL 12 1.291 1.650 -13.745 99 HB VAL 12 HB VAL 12 -0.721 3.489 -12.467 100 1HG1 VAL 12 1HG1 VAL 12 -1.125 1.786 -14.829 101 2HG1 VAL 12 2HG1 VAL 12 -2.078 3.145 -14.230 102 3HG1 VAL 12 3HG1 VAL 12 -2.292 1.541 -13.529 103 1HG2 VAL 12 1HG2 VAL 12 -0.796 0.521 -12.243 104 2HG2 VAL 12 2HG2 VAL 12 -1.067 1.749 -11.007 105 3HG2 VAL 12 3HG2 VAL 12 0.576 1.339 -11.494 106 H TRP 13 H TRP 13 0.475 5.075 -13.956 107 HA TRP 13 HA TRP 13 -0.167 4.803 -16.817 108 1HB TRP 13 3HB TRP 13 -1.407 6.543 -16.079 109 2HB TRP 13 2HB TRP 13 -0.356 6.830 -14.708 110 HD1 TRP 13 HD1 TRP 13 -1.377 8.222 -17.885 111 HE1 TRP 13 HE1 TRP 13 0.113 10.209 -18.500 112 HE3 TRP 13 HE3 TRP 13 2.454 7.599 -14.573 113 HZ2 TRP 13 HZ2 TRP 13 2.603 11.379 -17.761 114 HZ3 TRP 13 HZ3 TRP 13 4.372 9.146 -14.556 115 HH2 TRP 13 HH2 TRP 13 4.441 11.042 -16.136 116 H ALA 14 H ALA 14 2.488 5.757 -14.819 117 HA ALA 14 HA ALA 14 4.087 6.957 -16.886 118 1HB ALA 14 1HB ALA 14 5.217 5.725 -14.397 119 2HB ALA 14 2HB ALA 14 4.206 7.165 -14.287 120 3HB ALA 14 3HB ALA 14 5.696 7.205 -15.224 121 H LYS 15 H LYS 15 3.560 3.649 -15.856 122 HA LYS 15 HA LYS 15 5.986 2.595 -16.943 123 1HB LYS 15 3HB LYS 15 4.759 0.403 -16.946 124 2HB LYS 15 2HB LYS 15 4.691 1.232 -15.392 125 1HG LYS 15 2HG LYS 15 2.448 1.425 -15.498 126 2HG LYS 15 1HG LYS 15 2.517 2.058 -17.144 127 1HD LYS 15 2HD LYS 15 1.283 -0.078 -17.068 128 2HD LYS 15 1HD LYS 15 2.758 -0.232 -18.022 129 1HE LYS 15 2HE LYS 15 3.477 -1.878 -16.668 130 2HE LYS 15 1HE LYS 15 3.398 -0.783 -15.287 131 1HZ LYS 15 1HZ LYS 15 1.203 -2.464 -16.364 132 2HZ LYS 15 2HZ LYS 15 0.990 -1.282 -15.163 133 3HZ LYS 15 3HZ LYS 15 1.979 -2.630 -14.865 134 H ASP 16 H ASP 16 2.923 3.545 -18.238 135 HA ASP 16 HA ASP 16 3.585 2.412 -20.885 136 1HB ASP 16 3HB ASP 16 1.197 2.485 -19.769 137 2HB ASP 16 2HB ASP 16 1.193 4.152 -20.347 138 H GLU 17 H GLU 17 3.301 5.403 -19.119 139 HA GLU 17 HA GLU 17 3.702 7.180 -21.342 140 1HB GLU 17 3HB GLU 17 3.308 7.306 -18.519 141 2HB GLU 17 2HB GLU 17 4.734 8.261 -18.910 142 1HG GLU 17 2HG GLU 17 2.629 8.655 -20.862 143 2HG GLU 17 1HG GLU 17 2.068 9.007 -19.234 144 H ARG 18 H ARG 18 5.790 5.487 -19.077 145 HA ARG 18 HA ARG 18 8.238 6.742 -20.043 146 1HB ARG 18 3HB ARG 18 9.386 5.310 -18.547 147 2HB ARG 18 2HB ARG 18 7.854 5.612 -17.736 148 1HG ARG 18 2HG ARG 18 7.959 3.310 -17.544 149 2HG ARG 18 1HG ARG 18 7.100 3.447 -19.074 150 1HD ARG 18 2HD ARG 18 8.985 2.894 -20.337 151 2HD ARG 18 1HD ARG 18 10.102 3.391 -19.066 152 HE ARG 18 HE ARG 18 8.489 0.874 -18.974 153 1HH1 ARG 18 1HH2 ARG 18 11.477 0.993 -19.636 154 2HH1 ARG 18 2HH2 ARG 18 12.168 0.557 -18.109 155 1HH2 ARG 18 1HH1 ARG 18 9.243 1.100 -16.331 156 2HH2 ARG 18 2HH1 ARG 18 10.904 0.617 -16.239 157 H ARG 19 H ARG 19 6.345 3.871 -20.653 158 HA ARG 19 HA ARG 19 8.197 2.651 -22.493 159 1HB ARG 19 3HB ARG 19 5.399 2.260 -21.617 160 2HB ARG 19 2HB ARG 19 5.711 1.805 -23.289 161 1HG ARG 19 2HG ARG 19 7.874 0.875 -21.641 162 2HG ARG 19 1HG ARG 19 6.345 0.334 -20.951 163 1HD ARG 19 2HD ARG 19 7.054 -1.340 -22.543 164 2HD ARG 19 1HD ARG 19 5.691 -0.475 -23.254 165 HE ARG 19 HE ARG 19 8.330 0.596 -23.972 166 1HH1 ARG 19 1HH1 ARG 19 5.827 -1.677 -24.668 167 2HH1 ARG 19 2HH1 ARG 19 6.158 -1.718 -26.366 168 1HH2 ARG 19 1HH2 ARG 19 8.727 0.602 -26.196 169 2HH2 ARG 19 2HH2 ARG 19 7.799 -0.431 -27.231 170 H LYS 20 H LYS 20 5.502 4.899 -22.645 171 HA LYS 20 HA LYS 20 5.529 5.169 -25.500 172 1HB LYS 20 3HB LYS 20 3.677 5.796 -23.722 173 2HB LYS 20 2HB LYS 20 4.511 7.351 -23.732 174 1HG LYS 20 2HG LYS 20 3.745 7.878 -25.797 175 2HG LYS 20 1HG LYS 20 4.041 6.253 -26.416 176 1HD LYS 20 2HD LYS 20 1.948 5.490 -25.822 177 2HD LYS 20 1HD LYS 20 1.814 6.606 -24.463 178 1HE LYS 20 2HE LYS 20 1.389 8.469 -25.949 179 2HE LYS 20 1HE LYS 20 1.730 7.476 -27.365 180 1HZ LYS 20 1HZ LYS 20 -0.498 7.247 -27.347 181 2HZ LYS 20 2HZ LYS 20 -0.642 7.568 -25.685 182 3HZ LYS 20 3HZ LYS 20 -0.166 6.028 -26.218 183 H ILE 21 H ILE 21 7.401 6.493 -22.944 184 HA ILE 21 HA ILE 21 8.396 8.648 -24.707 185 HB ILE 21 HB ILE 21 8.123 8.296 -21.837 186 1HG1 ILE 21 2HG1 ILE 21 8.981 10.880 -22.328 187 2HG1 ILE 21 1HG1 ILE 21 8.245 10.408 -23.860 188 1HG2 ILE 21 1HG2 ILE 21 10.794 9.416 -22.702 189 2HG2 ILE 21 2HG2 ILE 21 10.598 7.769 -22.104 190 3HG2 ILE 21 3HG2 ILE 21 10.219 9.137 -21.059 191 1HD1 ILE 21 1HD1 ILE 21 6.354 11.131 -22.754 192 2HD1 ILE 21 2HD1 ILE 21 6.992 10.704 -21.167 193 3HD1 ILE 21 3HD1 ILE 21 6.360 9.447 -22.230 194 H LEU 22 H LEU 22 9.463 5.800 -22.977 195 HA LEU 22 HA LEU 22 12.196 5.791 -23.545 196 1HB LEU 22 3HB LEU 22 10.714 4.110 -22.278 197 2HB LEU 22 2HB LEU 22 10.462 3.358 -23.848 198 HG LEU 22 HG LEU 22 12.952 3.310 -24.128 199 1HD1 LEU 22 1HD1 LEU 22 12.718 4.702 -21.571 200 2HD1 LEU 22 2HD1 LEU 22 14.111 4.573 -22.644 201 3HD1 LEU 22 3HD1 LEU 22 13.782 3.302 -21.466 202 1HD2 LEU 22 1HD2 LEU 22 13.208 1.352 -22.692 203 2HD2 LEU 22 2HD2 LEU 22 11.618 1.370 -23.455 204 3HD2 LEU 22 3HD2 LEU 22 11.791 1.845 -21.765 205 H GLN 23 H GLN 23 9.458 5.105 -25.590 206 HA GLN 23 HA GLN 23 10.868 3.911 -27.760 207 1HB GLN 23 3HB GLN 23 8.929 4.399 -29.072 208 2HB GLN 23 2HB GLN 23 8.349 3.992 -27.463 209 1HG GLN 23 2HG GLN 23 8.306 6.394 -26.918 210 2HG GLN 23 1HG GLN 23 8.788 6.761 -28.568 211 1HE2 GLN 23 1HE2 GLN 23 7.215 4.974 -30.052 212 2HE2 GLN 23 2HE2 GLN 23 5.571 5.316 -29.808 213 H ALA 24 H ALA 24 10.083 7.064 -26.772 214 HA ALA 24 HA ALA 24 11.369 8.395 -29.020 215 1HB ALA 24 1HB ALA 24 10.761 10.469 -27.753 216 2HB ALA 24 2HB ALA 24 10.129 9.441 -26.468 217 3HB ALA 24 3HB ALA 24 9.382 9.416 -28.065 218 H PHE 25 H PHE 25 12.306 7.140 -25.982 219 HA PHE 25 HA PHE 25 15.005 8.158 -26.333 220 1HB PHE 25 3HB PHE 25 13.661 8.810 -23.712 221 2HB PHE 25 2HB PHE 25 15.184 9.431 -24.350 222 HD1 PHE 25 HD1 PHE 25 11.518 9.673 -24.499 223 HD2 PHE 25 HD2 PHE 25 15.223 11.154 -26.087 224 HE1 PHE 25 HE1 PHE 25 10.314 11.581 -25.529 225 HE2 PHE 25 HE2 PHE 25 14.021 13.062 -27.116 226 HZ PHE 25 HZ PHE 25 11.565 13.276 -26.838 227 HA PRO 26 HA PRO 26 14.530 3.995 -24.369 228 1HB PRO 26 3HB PRO 26 16.159 2.744 -26.193 229 2HB PRO 26 2HB PRO 26 14.405 2.899 -26.385 230 1HG PRO 26 2HG PRO 26 16.590 4.447 -27.732 231 2HG PRO 26 1HG PRO 26 14.988 3.999 -28.346 232 1HD PRO 26 2HD PRO 26 15.638 6.538 -27.379 233 2HD PRO 26 1HD PRO 26 13.993 5.892 -27.478 234 H ASP 27 H ASP 27 16.946 6.238 -25.066 235 HA ASP 27 HA ASP 27 18.980 4.758 -23.477 236 1HB ASP 27 3HB ASP 27 19.131 6.508 -25.743 237 2HB ASP 27 2HB ASP 27 20.070 7.166 -24.409 238 H MET 28 H MET 28 16.951 7.591 -23.597 239 HA MET 28 HA MET 28 18.111 9.108 -21.493 240 1HB MET 28 3HB MET 28 16.495 10.200 -22.821 241 2HB MET 28 2HB MET 28 15.339 8.908 -22.570 242 1HG MET 28 2HG MET 28 14.655 9.725 -20.587 243 2HG MET 28 1HG MET 28 16.292 10.102 -20.088 244 1HE MET 28 1HE MET 28 13.380 11.383 -22.568 245 2HE MET 28 2HE MET 28 14.883 11.006 -23.404 246 3HE MET 28 3HE MET 28 14.332 12.676 -23.309 247 H HIS 29 H HIS 29 16.475 6.154 -21.457 248 HA HIS 29 HA HIS 29 15.129 6.225 -19.030 249 1HB HIS 29 3HB HIS 29 14.728 4.055 -19.401 250 2HB HIS 29 2HB HIS 29 15.747 4.202 -20.833 251 HD1 HIS 29 HD1 HIS 29 15.630 2.621 -17.505 252 HD2 HIS 29 HD2 HIS 29 18.552 3.746 -20.222 253 HE1 HIS 29 HE1 HIS 29 17.787 1.552 -16.700 254 H ASN 30 H ASN 30 18.530 5.650 -19.613 255 HA ASN 30 HA ASN 30 19.732 4.738 -17.496 256 1HB ASN 30 3HB ASN 30 20.290 7.140 -19.059 257 2HB ASN 30 2HB ASN 30 21.009 7.194 -17.450 258 1HD2 ASN 30 1HD2 ASN 30 20.453 4.397 -19.657 259 2HD2 ASN 30 2HD2 ASN 30 22.081 3.917 -19.698 260 H SER 31 H SER 31 18.083 4.675 -15.790 261 HA SER 31 HA SER 31 16.955 5.538 -13.904 262 1HB SER 31 3HB SER 31 18.692 5.164 -12.531 263 2HB SER 31 2HB SER 31 19.834 5.773 -13.710 264 HG SER 31 HG SER 31 18.326 7.196 -11.791 265 H ASN 32 H ASN 32 16.727 7.142 -16.253 266 HA ASN 32 HA ASN 32 16.717 9.918 -15.139 267 1HB ASN 32 3HB ASN 32 17.624 8.771 -17.589 268 2HB ASN 32 2HB ASN 32 16.381 9.969 -17.917 269 1HD2 ASN 32 1HD2 ASN 32 19.062 10.370 -18.699 270 2HD2 ASN 32 2HD2 ASN 32 19.724 11.637 -17.772 271 H ILE 33 H ILE 33 14.980 7.820 -17.429 272 HA ILE 33 HA ILE 33 12.705 9.348 -17.872 273 HB ILE 33 HB ILE 33 12.952 6.362 -17.498 274 1HG1 ILE 33 2HG1 ILE 33 14.179 7.763 -19.342 275 2HG1 ILE 33 1HG1 ILE 33 13.331 6.287 -19.808 276 1HG2 ILE 33 1HG2 ILE 33 10.645 6.636 -17.264 277 2HG2 ILE 33 2HG2 ILE 33 10.796 6.512 -19.016 278 3HG2 ILE 33 3HG2 ILE 33 10.617 8.095 -18.258 279 1HD1 ILE 33 1HD1 ILE 33 12.227 9.111 -19.983 280 2HD1 ILE 33 2HD1 ILE 33 11.336 7.647 -20.397 281 3HD1 ILE 33 3HD1 ILE 33 12.747 8.117 -21.344 282 H SER 34 H SER 34 13.583 7.601 -14.977 283 HA SER 34 HA SER 34 11.081 7.474 -13.668 284 1HB SER 34 3HB SER 34 13.831 7.193 -12.979 285 2HB SER 34 2HB SER 34 13.091 8.271 -11.800 286 HG SER 34 HG SER 34 11.795 5.896 -12.590 287 H LYS 35 H LYS 35 13.461 10.124 -13.792 288 HA LYS 35 HA LYS 35 11.837 11.875 -12.174 289 1HB LYS 35 3HB LYS 35 13.433 13.639 -12.906 290 2HB LYS 35 2HB LYS 35 14.269 12.207 -12.302 291 1HG LYS 35 2HG LYS 35 15.080 11.641 -14.368 292 2HG LYS 35 1HG LYS 35 13.647 12.233 -15.209 293 1HD LYS 35 2HD LYS 35 15.245 14.321 -13.857 294 2HD LYS 35 1HD LYS 35 16.052 13.525 -15.209 295 1HE LYS 35 2HE LYS 35 14.916 15.120 -16.409 296 2HE LYS 35 1HE LYS 35 13.635 13.910 -16.331 297 1HZ LYS 35 1HZ LYS 35 13.875 16.453 -14.941 298 2HZ LYS 35 2HZ LYS 35 13.234 15.165 -14.036 299 3HZ LYS 35 3HZ LYS 35 12.491 15.641 -15.489 300 H ILE 36 H ILE 36 12.081 11.006 -15.490 301 HA ILE 36 HA ILE 36 10.723 13.271 -16.603 302 HB ILE 36 HB ILE 36 11.370 10.534 -17.509 303 1HG1 ILE 36 2HG1 ILE 36 12.016 12.401 -19.467 304 2HG1 ILE 36 1HG1 ILE 36 12.277 13.269 -17.954 305 1HG2 ILE 36 1HG2 ILE 36 9.435 12.414 -18.875 306 2HG2 ILE 36 2HG2 ILE 36 9.136 10.747 -18.385 307 3HG2 ILE 36 3HG2 ILE 36 10.242 11.090 -19.715 308 1HD1 ILE 36 1HD1 ILE 36 13.436 10.942 -17.298 309 2HD1 ILE 36 2HD1 ILE 36 14.323 12.237 -18.095 310 3HD1 ILE 36 3HD1 ILE 36 13.694 10.886 -19.038 311 H LEU 37 H LEU 37 9.691 9.982 -15.815 312 HA LEU 37 HA LEU 37 6.946 10.221 -16.368 313 1HB LEU 37 3HB LEU 37 8.471 8.681 -14.279 314 2HB LEU 37 2HB LEU 37 6.733 8.534 -14.486 315 HG LEU 37 HG LEU 37 8.845 7.983 -16.579 316 1HD1 LEU 37 1HD1 LEU 37 7.907 6.426 -14.495 317 2HD1 LEU 37 2HD1 LEU 37 8.683 5.824 -15.959 318 3HD1 LEU 37 3HD1 LEU 37 6.924 5.903 -15.862 319 1HD2 LEU 37 1HD2 LEU 37 7.175 8.504 -18.039 320 2HD2 LEU 37 2HD2 LEU 37 5.951 8.512 -16.769 321 3HD2 LEU 37 3HD2 LEU 37 6.438 6.991 -17.515 322 H GLY 38 H GLY 38 8.522 10.509 -13.203 323 1HA GLY 38 2HA GLY 38 6.274 11.476 -11.778 324 2HA GLY 38 1HA GLY 38 7.946 11.797 -11.313 325 H SER 39 H SER 39 8.145 12.999 -14.188 326 HA SER 39 HA SER 39 7.218 15.675 -13.357 327 1HB SER 39 3HB SER 39 9.673 15.162 -14.084 328 2HB SER 39 2HB SER 39 9.009 15.126 -15.715 329 HG SER 39 HG SER 39 9.484 17.238 -14.043 330 H ARG 40 H ARG 40 6.642 13.062 -15.418 331 HA ARG 40 HA ARG 40 5.164 14.570 -17.428 332 1HB ARG 40 3HB ARG 40 5.883 11.730 -16.902 333 2HB ARG 40 2HB ARG 40 4.735 12.149 -18.152 334 1HG ARG 40 2HG ARG 40 7.370 13.558 -17.997 335 2HG ARG 40 1HG ARG 40 7.274 11.966 -18.740 336 1HD ARG 40 2HD ARG 40 6.702 13.065 -20.613 337 2HD ARG 40 1HD ARG 40 5.124 13.271 -19.861 338 HE ARG 40 HE ARG 40 5.936 15.499 -19.058 339 1HH1 ARG 40 1HH1 ARG 40 8.849 15.188 -19.521 340 2HH1 ARG 40 2HH1 ARG 40 9.086 16.018 -21.022 341 1HH2 ARG 40 1HH2 ARG 40 5.724 15.989 -21.875 342 2HH2 ARG 40 2HH2 ARG 40 7.317 16.471 -22.354 343 H TRP 41 H TRP 41 4.856 12.693 -14.570 344 HA TRP 41 HA TRP 41 2.049 12.188 -14.560 345 1HB TRP 41 3HB TRP 41 3.778 11.058 -13.147 346 2HB TRP 41 2HB TRP 41 3.938 12.554 -12.235 347 HD1 TRP 41 HD1 TRP 41 2.398 12.697 -10.205 348 HE1 TRP 41 HE1 TRP 41 0.132 11.633 -9.520 349 HE3 TRP 41 HE3 TRP 41 1.405 10.094 -14.410 350 HZ2 TRP 41 HZ2 TRP 41 -1.848 9.867 -10.682 351 HZ3 TRP 41 HZ3 TRP 41 -0.643 8.725 -14.618 352 HH2 TRP 41 HH2 TRP 41 -2.266 8.629 -12.815 353 H LYS 42 H LYS 42 3.970 14.511 -12.644 354 HA LYS 42 HA LYS 42 1.702 15.943 -11.683 355 1HB LYS 42 3HB LYS 42 4.634 16.605 -11.963 356 2HB LYS 42 2HB LYS 42 3.491 17.845 -11.446 357 1HG LYS 42 2HG LYS 42 2.751 15.725 -9.869 358 2HG LYS 42 1HG LYS 42 4.494 15.490 -9.984 359 1HD LYS 42 2HD LYS 42 4.527 16.980 -8.250 360 2HD LYS 42 1HD LYS 42 4.420 18.162 -9.555 361 1HE LYS 42 2HE LYS 42 2.327 18.777 -8.960 362 2HE LYS 42 1HE LYS 42 1.803 17.103 -8.784 363 1HZ LYS 42 1HZ LYS 42 2.297 18.887 -6.760 364 2HZ LYS 42 2HZ LYS 42 3.634 17.840 -6.737 365 3HZ LYS 42 3HZ LYS 42 2.060 17.215 -6.600 366 H ALA 43 H ALA 43 3.304 15.801 -14.685 367 HA ALA 43 HA ALA 43 2.344 18.361 -15.636 368 1HB ALA 43 1HB ALA 43 4.083 16.172 -16.659 369 2HB ALA 43 2HB ALA 43 4.372 17.912 -16.641 370 3HB ALA 43 3HB ALA 43 3.296 17.208 -17.848 371 H MET 44 H MET 44 0.589 15.918 -14.843 372 HA MET 44 HA MET 44 -0.779 15.407 -17.409 373 1HB MET 44 3HB MET 44 -1.002 14.231 -14.629 374 2HB MET 44 2HB MET 44 -2.181 13.877 -15.886 375 1HG MET 44 2HG MET 44 0.296 13.537 -17.130 376 2HG MET 44 1HG MET 44 0.474 12.793 -15.540 377 1HE MET 44 1HE MET 44 -3.224 11.736 -15.529 378 2HE MET 44 2HE MET 44 -1.812 12.153 -14.562 379 3HE MET 44 3HE MET 44 -2.113 10.470 -14.989 380 H THR 45 H THR 45 -3.179 15.136 -15.181 381 HA THR 45 HA THR 45 -3.849 18.000 -15.030 382 HB THR 45 HB THR 45 -6.195 16.972 -16.011 383 HG1 THR 45 HG1 THR 45 -5.224 16.015 -18.048 384 1HG2 THR 45 1HG2 THR 45 -5.891 18.743 -17.373 385 2HG2 THR 45 2HG2 THR 45 -4.510 17.969 -18.152 386 3HG2 THR 45 3HG2 THR 45 -4.279 18.911 -16.678 387 H ASN 46 H ASN 46 -3.608 15.233 -13.423 388 HA ASN 46 HA ASN 46 -4.526 14.548 -11.366 389 1HB ASN 46 3HB ASN 46 -4.893 17.142 -11.191 390 2HB ASN 46 2HB ASN 46 -6.576 16.738 -11.532 391 1HD2 ASN 46 1HD2 ASN 46 -4.050 15.106 -9.529 392 2HD2 ASN 46 2HD2 ASN 46 -5.004 15.034 -8.127 393 H LEU 47 H LEU 47 -7.137 15.841 -13.433 394 HA LEU 47 HA LEU 47 -8.955 13.700 -12.743 395 1HB LEU 47 3HB LEU 47 -8.956 16.058 -14.517 396 2HB LEU 47 2HB LEU 47 -9.933 14.706 -15.094 397 HG LEU 47 HG LEU 47 -11.160 16.325 -13.580 398 1HD1 LEU 47 1HD1 LEU 47 -10.918 13.537 -12.424 399 2HD1 LEU 47 2HD1 LEU 47 -11.754 13.874 -13.940 400 3HD1 LEU 47 3HD1 LEU 47 -12.340 14.579 -12.434 401 1HD2 LEU 47 1HD2 LEU 47 -9.155 16.653 -12.069 402 2HD2 LEU 47 2HD2 LEU 47 -9.446 15.032 -11.439 403 3HD2 LEU 47 3HD2 LEU 47 -10.656 16.295 -11.216 404 H GLU 48 H GLU 48 -6.325 13.943 -14.925 405 HA GLU 48 HA GLU 48 -7.350 11.919 -16.781 406 1HB GLU 48 3HB GLU 48 -5.685 13.775 -17.379 407 2HB GLU 48 2HB GLU 48 -4.477 12.825 -16.512 408 1HG GLU 48 2HG GLU 48 -4.240 11.431 -18.262 409 2HG GLU 48 1HG GLU 48 -5.975 11.115 -18.292 410 H LYS 49 H LYS 49 -5.969 11.908 -13.698 411 HA LYS 49 HA LYS 49 -4.544 9.358 -13.980 412 1HB LYS 49 3HB LYS 49 -5.276 10.843 -11.447 413 2HB LYS 49 2HB LYS 49 -4.005 9.646 -11.659 414 1HG LYS 49 2HG LYS 49 -2.723 11.113 -13.054 415 2HG LYS 49 1HG LYS 49 -4.062 12.252 -13.188 416 1HD LYS 49 2HD LYS 49 -3.892 12.821 -10.836 417 2HD LYS 49 1HD LYS 49 -2.680 11.565 -10.579 418 1HE LYS 49 2HE LYS 49 -1.003 12.788 -11.553 419 2HE LYS 49 1HE LYS 49 -2.093 13.561 -12.704 420 1HZ LYS 49 1HZ LYS 49 -2.370 14.187 -9.852 421 2HZ LYS 49 2HZ LYS 49 -2.701 15.155 -11.208 422 3HZ LYS 49 3HZ LYS 49 -1.095 14.895 -10.717 423 H GLN 50 H GLN 50 -7.775 10.255 -13.603 424 HA GLN 50 HA GLN 50 -8.775 8.441 -11.698 425 1HB GLN 50 3HB GLN 50 -10.107 9.327 -14.267 426 2HB GLN 50 2HB GLN 50 -10.912 8.676 -12.843 427 1HG GLN 50 2HG GLN 50 -9.659 10.593 -11.583 428 2HG GLN 50 1HG GLN 50 -9.539 11.317 -13.185 429 1HE2 GLN 50 1HE2 GLN 50 -11.458 11.424 -10.502 430 2HE2 GLN 50 2HE2 GLN 50 -12.954 11.775 -11.221 431 HA PRO 51 HA PRO 51 -9.177 5.200 -15.187 432 1HB PRO 51 3HB PRO 51 -7.595 5.539 -17.396 433 2HB PRO 51 2HB PRO 51 -9.251 6.133 -17.264 434 1HG PRO 51 2HG PRO 51 -6.703 7.668 -17.122 435 2HG PRO 51 1HG PRO 51 -8.307 8.204 -17.651 436 1HD PRO 51 2HD PRO 51 -7.139 8.730 -15.142 437 2HD PRO 51 1HD PRO 51 -8.852 8.943 -15.550 438 H TYR 52 H TYR 52 -5.974 6.713 -14.925 439 HA TYR 52 HA TYR 52 -4.575 4.148 -14.944 440 1HB TYR 52 3HB TYR 52 -3.460 6.647 -13.683 441 2HB TYR 52 2HB TYR 52 -2.615 5.394 -14.598 442 HD1 TYR 52 HD1 TYR 52 -3.048 8.625 -14.905 443 HD2 TYR 52 HD2 TYR 52 -4.388 5.090 -16.936 444 HE1 TYR 52 HE1 TYR 52 -3.349 9.934 -16.982 445 HE2 TYR 52 HE2 TYR 52 -4.691 6.391 -19.013 446 HH TYR 52 HH TYR 52 -4.587 8.398 -19.962 447 H TYR 53 H TYR 53 -6.596 5.718 -12.799 448 HA TYR 53 HA TYR 53 -5.260 4.843 -10.340 449 1HB TYR 53 3HB TYR 53 -7.468 6.577 -11.076 450 2HB TYR 53 2HB TYR 53 -7.917 5.496 -9.760 451 HD1 TYR 53 HD1 TYR 53 -7.520 6.320 -7.615 452 HD2 TYR 53 HD2 TYR 53 -4.877 7.435 -10.814 453 HE1 TYR 53 HE1 TYR 53 -6.188 7.693 -6.040 454 HE2 TYR 53 HE2 TYR 53 -3.548 8.807 -9.238 455 HH TYR 53 HH TYR 53 -3.737 8.533 -5.951 456 H GLU 54 H GLU 54 -8.233 3.977 -12.105 457 HA GLU 54 HA GLU 54 -8.841 1.734 -10.413 458 1HB GLU 54 3HB GLU 54 -10.192 1.028 -12.538 459 2HB GLU 54 2HB GLU 54 -10.686 2.473 -11.662 460 1HG GLU 54 2HG GLU 54 -9.832 3.910 -13.286 461 2HG GLU 54 1HG GLU 54 -8.679 2.716 -13.882 462 H GLU 55 H GLU 55 -6.985 2.118 -13.392 463 HA GLU 55 HA GLU 55 -6.550 -0.679 -13.846 464 1HB GLU 55 3HB GLU 55 -5.437 1.849 -14.831 465 2HB GLU 55 2HB GLU 55 -4.348 0.470 -14.931 466 1HG GLU 55 2HG GLU 55 -6.859 -0.475 -15.782 467 2HG GLU 55 1HG GLU 55 -6.659 1.094 -16.561 468 H GLN 56 H GLN 56 -5.448 1.449 -11.468 469 HA GLN 56 HA GLN 56 -2.923 0.048 -10.936 470 1HB GLN 56 3HB GLN 56 -2.706 2.250 -10.305 471 2HB GLN 56 2HB GLN 56 -4.379 2.380 -9.849 472 1HG GLN 56 2HG GLN 56 -3.019 2.495 -7.838 473 2HG GLN 56 1HG GLN 56 -3.899 0.968 -7.835 474 1HE2 GLN 56 1HE2 GLN 56 -2.388 -0.366 -6.736 475 2HE2 GLN 56 2HE2 GLN 56 -0.810 -0.651 -7.294 476 H ALA 57 H ALA 57 -5.831 0.728 -9.074 477 HA ALA 57 HA ALA 57 -5.498 -1.207 -7.079 478 1HB ALA 57 1HB ALA 57 -8.216 -1.155 -7.371 479 2HB ALA 57 2HB ALA 57 -7.756 0.340 -8.185 480 3HB ALA 57 3HB ALA 57 -7.296 0.074 -6.504 481 H ARG 58 H ARG 58 -6.525 -1.580 -10.403 482 HA ARG 58 HA ARG 58 -7.721 -4.191 -10.076 483 1HB ARG 58 3HB ARG 58 -6.847 -2.490 -12.359 484 2HB ARG 58 2HB ARG 58 -6.986 -4.223 -12.660 485 1HG ARG 58 2HG ARG 58 -9.293 -4.219 -11.867 486 2HG ARG 58 1HG ARG 58 -9.168 -2.513 -11.432 487 1HD ARG 58 2HD ARG 58 -8.901 -1.869 -13.742 488 2HD ARG 58 1HD ARG 58 -8.761 -3.553 -14.248 489 HE ARG 58 HE ARG 58 -11.236 -3.499 -13.066 490 1HH1 ARG 58 1HH2 ARG 58 -10.425 -3.361 -16.111 491 2HH1 ARG 58 2HH2 ARG 58 -11.518 -2.123 -16.634 492 1HH2 ARG 58 1HH1 ARG 58 -12.319 -1.101 -13.421 493 2HH2 ARG 58 2HH1 ARG 58 -12.591 -0.845 -15.112 494 H LEU 59 H LEU 59 -4.634 -3.272 -11.600 495 HA LEU 59 HA LEU 59 -3.565 -5.906 -11.637 496 1HB LEU 59 3HB LEU 59 -1.352 -4.718 -11.854 497 2HB LEU 59 2HB LEU 59 -2.567 -4.197 -13.015 498 HG LEU 59 HG LEU 59 -3.116 -2.440 -11.074 499 1HD1 LEU 59 1HD1 LEU 59 -1.491 -3.228 -9.471 500 2HD1 LEU 59 2HD1 LEU 59 -0.903 -1.690 -10.103 501 3HD1 LEU 59 3HD1 LEU 59 -0.210 -3.204 -10.682 502 1HD2 LEU 59 1HD2 LEU 59 -2.045 -0.854 -12.410 503 2HD2 LEU 59 2HD2 LEU 59 -2.181 -2.209 -13.530 504 3HD2 LEU 59 3HD2 LEU 59 -0.653 -1.896 -12.707 505 H SER 60 H SER 60 -4.095 -3.766 -9.032 506 HA SER 60 HA SER 60 -1.931 -4.763 -7.329 507 1HB SER 60 3HB SER 60 -4.082 -2.776 -7.142 508 2HB SER 60 2HB SER 60 -3.867 -3.689 -5.652 509 HG SER 60 HG SER 60 -1.987 -2.770 -5.374 510 H LYS 61 H LYS 61 -5.259 -5.507 -8.032 511 HA LYS 61 HA LYS 61 -5.719 -7.274 -5.799 512 1HB LYS 61 3HB LYS 61 -7.290 -6.132 -7.718 513 2HB LYS 61 2HB LYS 61 -7.176 -7.787 -8.317 514 1HG LYS 61 2HG LYS 61 -9.065 -7.768 -6.855 515 2HG LYS 61 1HG LYS 61 -7.766 -8.533 -5.937 516 1HD LYS 61 2HD LYS 61 -7.328 -6.522 -4.709 517 2HD LYS 61 1HD LYS 61 -8.356 -5.569 -5.780 518 1HE LYS 61 2HE LYS 61 -10.116 -5.993 -4.448 519 2HE LYS 61 1HE LYS 61 -9.936 -7.717 -4.778 520 1HZ LYS 61 1HZ LYS 61 -7.984 -7.358 -3.024 521 2HZ LYS 61 2HZ LYS 61 -9.566 -7.781 -2.572 522 3HZ LYS 61 3HZ LYS 61 -9.058 -6.162 -2.485 523 H GLN 62 H GLN 62 -5.118 -7.933 -9.256 524 HA GLN 62 HA GLN 62 -4.742 -10.747 -8.935 525 1HB GLN 62 3HB GLN 62 -3.310 -10.406 -11.110 526 2HB GLN 62 2HB GLN 62 -5.047 -10.105 -11.167 527 1HG GLN 62 2HG GLN 62 -4.755 -7.752 -11.065 528 2HG GLN 62 1HG GLN 62 -3.077 -7.903 -10.540 529 1HE2 GLN 62 1HE2 GLN 62 -2.012 -6.898 -12.307 530 2HE2 GLN 62 2HE2 GLN 62 -2.125 -7.452 -13.908 531 H HIS 63 H HIS 63 -2.746 -8.052 -8.170 532 HA HIS 63 HA HIS 63 -0.165 -9.292 -8.306 533 1HB HIS 63 3HB HIS 63 -0.545 -6.839 -8.033 534 2HB HIS 63 2HB HIS 63 -1.112 -7.141 -6.392 535 HD1 HIS 63 HD1 HIS 63 1.684 -9.250 -7.628 536 HD2 HIS 63 HD2 HIS 63 1.232 -5.759 -5.394 537 HE1 HIS 63 HE1 HIS 63 3.925 -8.801 -6.538 538 H LEU 64 H LEU 64 -2.105 -8.617 -5.387 539 HA LEU 64 HA LEU 64 -0.653 -10.203 -3.608 540 1HB LEU 64 3HB LEU 64 -3.597 -9.553 -3.774 541 2HB LEU 64 2HB LEU 64 -2.948 -10.539 -2.469 542 HG LEU 64 HG LEU 64 -1.287 -8.211 -2.847 543 1HD1 LEU 64 1HD1 LEU 64 -3.699 -7.098 -1.749 544 2HD1 LEU 64 2HD1 LEU 64 -4.041 -7.736 -3.358 545 3HD1 LEU 64 3HD1 LEU 64 -2.763 -6.540 -3.135 546 1HD2 LEU 64 1HD2 LEU 64 -1.817 -7.899 -0.452 547 2HD2 LEU 64 2HD2 LEU 64 -1.420 -9.583 -0.797 548 3HD2 LEU 64 3HD2 LEU 64 -3.103 -9.099 -0.581 549 H GLU 65 H GLU 65 -2.964 -11.172 -6.065 550 HA GLU 65 HA GLU 65 -3.353 -13.859 -5.239 551 1HB GLU 65 3HB GLU 65 -3.326 -12.677 -8.030 552 2HB GLU 65 2HB GLU 65 -3.951 -14.274 -7.617 553 1HG GLU 65 2HG GLU 65 -5.157 -12.474 -5.805 554 2HG GLU 65 1HG GLU 65 -5.257 -11.708 -7.391 555 H LYS 66 H LYS 66 -0.616 -12.234 -6.512 556 HA LYS 66 HA LYS 66 0.639 -14.598 -7.677 557 1HB LYS 66 3HB LYS 66 1.490 -11.768 -7.139 558 2HB LYS 66 2HB LYS 66 2.698 -12.987 -7.540 559 1HG LYS 66 2HG LYS 66 0.840 -13.516 -9.443 560 2HG LYS 66 1HG LYS 66 0.594 -11.781 -9.244 561 1HD LYS 66 2HD LYS 66 2.344 -11.559 -10.673 562 2HD LYS 66 1HD LYS 66 3.342 -11.971 -9.278 563 1HE LYS 66 2HE LYS 66 4.029 -13.817 -10.363 564 2HE LYS 66 1HE LYS 66 2.372 -14.420 -10.316 565 1HZ LYS 66 1HZ LYS 66 1.897 -13.363 -12.377 566 2HZ LYS 66 2HZ LYS 66 3.335 -14.246 -12.580 567 3HZ LYS 66 3HZ LYS 66 3.391 -12.559 -12.388 568 H TYR 67 H TYR 67 1.115 -12.653 -4.728 569 HA TYR 67 HA TYR 67 2.413 -15.070 -3.529 570 1HB TYR 67 3HB TYR 67 3.250 -12.182 -3.177 571 2HB TYR 67 2HB TYR 67 3.911 -13.541 -2.269 572 HD1 TYR 67 HD1 TYR 67 4.456 -15.644 -4.015 573 HD2 TYR 67 HD2 TYR 67 4.649 -11.441 -4.880 574 HE1 TYR 67 HE1 TYR 67 6.063 -16.095 -5.849 575 HE2 TYR 67 HE2 TYR 67 6.257 -11.892 -6.714 576 HH TYR 67 HH TYR 67 7.505 -15.161 -7.298 577 HA PRO 68 HA PRO 68 -0.955 -13.217 -0.824 578 1HB PRO 68 3HB PRO 68 -2.854 -15.152 -1.209 579 2HB PRO 68 2HB PRO 68 -2.758 -13.684 -2.187 580 1HG PRO 68 2HG PRO 68 -1.979 -16.470 -2.913 581 2HG PRO 68 1HG PRO 68 -2.528 -15.150 -3.959 582 1HD PRO 68 2HD PRO 68 0.151 -15.979 -3.637 583 2HD PRO 68 1HD PRO 68 -0.391 -14.453 -4.366 584 H ASP 69 H ASP 69 -0.953 -16.706 -1.366 585 HA ASP 69 HA ASP 69 -0.635 -17.204 1.496 586 1HB ASP 69 3HB ASP 69 -1.083 -19.562 0.901 587 2HB ASP 69 2HB ASP 69 -2.332 -18.491 0.266 588 H TYR 70 H TYR 70 1.647 -16.166 1.027 589 HA TYR 70 HA TYR 70 3.640 -17.642 -0.330 590 1HB TYR 70 3HB TYR 70 5.233 -16.264 0.785 591 2HB TYR 70 2HB TYR 70 3.801 -15.259 0.571 592 HD1 TYR 70 HD1 TYR 70 5.985 -16.924 2.968 593 HD2 TYR 70 HD2 TYR 70 2.244 -14.868 2.488 594 HE1 TYR 70 HE1 TYR 70 5.861 -16.577 5.420 595 HE2 TYR 70 HE2 TYR 70 2.118 -14.523 4.941 596 HH TYR 70 HH TYR 70 4.194 -16.145 7.132 Start of MODEL 22 1 HA PRO 1 HA PRO 1 8.384 -10.453 -18.326 2 1HB PRO 1 3HB PRO 1 10.790 -10.227 -16.785 3 2HB PRO 1 2HB PRO 1 10.601 -10.881 -18.418 4 1HG PRO 1 2HG PRO 1 11.808 -8.399 -17.644 5 2HG PRO 1 1HG PRO 1 11.608 -9.055 -19.276 6 1HD PRO 1 2HD PRO 1 10.195 -6.871 -18.073 7 2HD PRO 1 1HD PRO 1 10.004 -7.530 -19.702 8 H HIS 2 H HIS 2 9.524 -8.238 -15.751 9 HA HIS 2 HA HIS 2 7.528 -9.474 -13.925 10 1HB HIS 2 3HB HIS 2 10.507 -9.321 -13.522 11 2HB HIS 2 2HB HIS 2 9.426 -9.268 -12.129 12 HD1 HIS 2 HD1 HIS 2 11.396 -11.686 -13.307 13 HD2 HIS 2 HD2 HIS 2 7.232 -11.538 -13.186 14 HE1 HIS 2 HE1 HIS 2 10.590 -14.084 -13.418 15 H ILE 3 H ILE 3 6.619 -7.278 -14.661 16 HA ILE 3 HA ILE 3 7.892 -4.970 -13.321 17 HB ILE 3 HB ILE 3 6.092 -3.698 -14.514 18 1HG1 ILE 3 2HG1 ILE 3 5.492 -6.254 -15.983 19 2HG1 ILE 3 1HG1 ILE 3 4.601 -5.841 -14.516 20 1HG2 ILE 3 1HG2 ILE 3 7.908 -5.555 -16.057 21 2HG2 ILE 3 2HG2 ILE 3 8.188 -3.863 -15.644 22 3HG2 ILE 3 3HG2 ILE 3 6.969 -4.288 -16.845 23 1HD1 ILE 3 1HD1 ILE 3 3.370 -4.293 -15.600 24 2HD1 ILE 3 2HD1 ILE 3 4.031 -4.943 -17.100 25 3HD1 ILE 3 3HD1 ILE 3 4.805 -3.564 -16.321 26 H LYS 4 H LYS 4 7.097 -6.569 -11.326 27 HA LYS 4 HA LYS 4 4.312 -6.046 -10.581 28 1HB LYS 4 3HB LYS 4 4.869 -7.328 -8.568 29 2HB LYS 4 2HB LYS 4 5.416 -8.189 -10.001 30 1HG LYS 4 2HG LYS 4 7.675 -6.998 -9.616 31 2HG LYS 4 1HG LYS 4 7.060 -6.637 -8.003 32 1HD LYS 4 2HD LYS 4 6.461 -9.264 -8.120 33 2HD LYS 4 1HD LYS 4 7.876 -9.241 -9.173 34 1HE LYS 4 2HE LYS 4 7.676 -8.478 -6.269 35 2HE LYS 4 1HE LYS 4 8.831 -9.556 -7.055 36 1HZ LYS 4 1HZ LYS 4 8.860 -6.667 -6.812 37 2HZ LYS 4 2HZ LYS 4 9.307 -7.269 -8.339 38 3HZ LYS 4 3HZ LYS 4 10.151 -7.760 -6.948 39 H ARG 5 H ARG 5 5.166 -3.584 -10.872 40 HA ARG 5 HA ARG 5 5.992 -2.669 -8.147 41 1HB ARG 5 3HB ARG 5 6.372 -1.193 -10.763 42 2HB ARG 5 2HB ARG 5 7.008 -0.729 -9.184 43 1HG ARG 5 2HG ARG 5 7.718 -3.262 -10.696 44 2HG ARG 5 1HG ARG 5 8.747 -1.837 -10.540 45 1HD ARG 5 2HD ARG 5 7.937 -2.517 -7.917 46 2HD ARG 5 1HD ARG 5 8.410 -4.027 -8.695 47 HE ARG 5 HE ARG 5 10.641 -3.258 -8.711 48 1HH1 ARG 5 1HH1 ARG 5 10.232 -0.708 -10.160 49 2HH1 ARG 5 2HH1 ARG 5 10.648 0.480 -8.969 50 1HH2 ARG 5 1HH2 ARG 5 10.385 -1.715 -6.301 51 2HH2 ARG 5 2HH2 ARG 5 10.734 -0.090 -6.787 52 HA PRO 6 HA PRO 6 1.774 -0.886 -9.389 53 1HB PRO 6 3HB PRO 6 0.203 -2.401 -7.711 54 2HB PRO 6 2HB PRO 6 0.509 -2.816 -9.407 55 1HG PRO 6 2HG PRO 6 1.690 -4.015 -6.931 56 2HG PRO 6 1HG PRO 6 1.365 -4.771 -8.501 57 1HD PRO 6 2HD PRO 6 3.893 -3.937 -7.649 58 2HD PRO 6 1HD PRO 6 3.413 -4.191 -9.339 59 H MET 7 H MET 7 3.102 0.737 -8.094 60 HA MET 7 HA MET 7 2.581 0.703 -5.203 61 1HB MET 7 3HB MET 7 4.346 2.249 -7.020 62 2HB MET 7 2HB MET 7 4.020 2.843 -5.401 63 1HG MET 7 2HG MET 7 4.701 -0.020 -5.546 64 2HG MET 7 1HG MET 7 6.004 1.063 -6.026 65 1HE MET 7 1HE MET 7 3.670 1.175 -2.081 66 2HE MET 7 2HE MET 7 3.424 0.055 -3.418 67 3HE MET 7 3HE MET 7 3.037 1.761 -3.627 68 H ASN 8 H ASN 8 1.780 2.492 -8.112 69 HA ASN 8 HA ASN 8 -0.565 3.637 -6.852 70 1HB ASN 8 3HB ASN 8 1.497 5.024 -6.136 71 2HB ASN 8 2HB ASN 8 1.434 5.622 -7.775 72 1HD2 ASN 8 1HD2 ASN 8 0.709 6.831 -4.969 73 2HD2 ASN 8 2HD2 ASN 8 -0.817 7.525 -5.233 74 H ALA 9 H ALA 9 -1.404 5.427 -8.436 75 HA ALA 9 HA ALA 9 -1.839 4.183 -10.988 76 1HB ALA 9 1HB ALA 9 -3.370 5.791 -9.722 77 2HB ALA 9 2HB ALA 9 -3.213 6.067 -11.451 78 3HB ALA 9 3HB ALA 9 -2.331 7.083 -10.318 79 H PHE 10 H PHE 10 0.557 6.293 -9.763 80 HA PHE 10 HA PHE 10 1.329 7.535 -12.219 81 1HB PHE 10 3HB PHE 10 2.069 8.624 -10.336 82 2HB PHE 10 2HB PHE 10 2.529 7.139 -9.526 83 HD1 PHE 10 HD1 PHE 10 3.423 9.219 -12.517 84 HD2 PHE 10 HD2 PHE 10 4.782 6.512 -9.471 85 HE1 PHE 10 HE1 PHE 10 5.757 9.510 -13.296 86 HE2 PHE 10 HE2 PHE 10 7.117 6.804 -10.254 87 HZ PHE 10 HZ PHE 10 7.605 8.304 -12.169 88 H MET 11 H MET 11 3.066 5.018 -10.363 89 HA MET 11 HA MET 11 4.755 4.284 -12.525 90 1HB MET 11 3HB MET 11 3.697 2.606 -10.219 91 2HB MET 11 2HB MET 11 4.995 2.102 -11.302 92 1HG MET 11 2HG MET 11 5.536 4.758 -10.316 93 2HG MET 11 1HG MET 11 5.231 3.674 -8.960 94 1HE MET 11 1HE MET 11 7.458 4.823 -8.677 95 2HE MET 11 2HE MET 11 9.001 4.104 -9.129 96 3HE MET 11 3HE MET 11 7.961 3.285 -7.966 97 H VAL 12 H VAL 12 1.403 3.857 -11.927 98 HA VAL 12 HA VAL 12 1.095 1.570 -13.708 99 HB VAL 12 HB VAL 12 -0.774 3.417 -12.238 100 1HG1 VAL 12 1HG1 VAL 12 -2.071 3.219 -14.150 101 2HG1 VAL 12 2HG1 VAL 12 -2.584 1.793 -13.250 102 3HG1 VAL 12 3HG1 VAL 12 -1.413 1.635 -14.559 103 1HG2 VAL 12 1HG2 VAL 12 -1.455 0.725 -11.882 104 2HG2 VAL 12 2HG2 VAL 12 -0.576 1.747 -10.748 105 3HG2 VAL 12 3HG2 VAL 12 0.307 0.750 -11.901 106 H TRP 13 H TRP 13 0.380 5.013 -13.721 107 HA TRP 13 HA TRP 13 -0.453 4.899 -16.536 108 1HB TRP 13 3HB TRP 13 -1.566 6.633 -15.602 109 2HB TRP 13 2HB TRP 13 -0.383 6.817 -14.319 110 HD1 TRP 13 HD1 TRP 13 -1.637 8.409 -17.334 111 HE1 TRP 13 HE1 TRP 13 -0.148 10.386 -17.973 112 HE3 TRP 13 HE3 TRP 13 2.443 7.508 -14.391 113 HZ2 TRP 13 HZ2 TRP 13 2.432 11.449 -17.395 114 HZ3 TRP 13 HZ3 TRP 13 4.400 9.008 -14.473 115 HH2 TRP 13 HH2 TRP 13 4.392 10.979 -15.952 116 H ALA 14 H ALA 14 2.385 5.689 -14.718 117 HA ALA 14 HA ALA 14 3.882 6.868 -16.872 118 1HB ALA 14 1HB ALA 14 5.402 7.302 -15.260 119 2HB ALA 14 2HB ALA 14 5.366 5.649 -14.647 120 3HB ALA 14 3HB ALA 14 4.120 6.796 -14.164 121 H LYS 15 H LYS 15 3.185 3.571 -16.025 122 HA LYS 15 HA LYS 15 5.578 2.379 -17.014 123 1HB LYS 15 3HB LYS 15 4.389 0.309 -16.963 124 2HB LYS 15 2HB LYS 15 3.728 1.256 -15.629 125 1HG LYS 15 2HG LYS 15 1.894 2.017 -17.151 126 2HG LYS 15 1HG LYS 15 2.520 0.937 -18.384 127 1HD LYS 15 2HD LYS 15 1.688 0.011 -15.625 128 2HD LYS 15 1HD LYS 15 0.626 -0.038 -17.033 129 1HE LYS 15 2HE LYS 15 2.305 -1.442 -18.215 130 2HE LYS 15 1HE LYS 15 3.295 -1.448 -16.755 131 1HZ LYS 15 1HZ LYS 15 1.716 -3.391 -17.118 132 2HZ LYS 15 2HZ LYS 15 0.470 -2.312 -16.705 133 3HZ LYS 15 3HZ LYS 15 1.706 -2.657 -15.589 134 H ASP 16 H ASP 16 2.589 3.457 -18.486 135 HA ASP 16 HA ASP 16 3.387 2.456 -21.124 136 1HB ASP 16 3HB ASP 16 0.932 2.778 -20.107 137 2HB ASP 16 2HB ASP 16 1.136 4.396 -20.778 138 H GLU 17 H GLU 17 3.204 5.419 -19.296 139 HA GLU 17 HA GLU 17 3.922 7.224 -21.394 140 1HB GLU 17 3HB GLU 17 3.475 7.254 -18.571 141 2HB GLU 17 2HB GLU 17 4.999 8.072 -18.895 142 1HG GLU 17 2HG GLU 17 3.159 8.870 -20.895 143 2HG GLU 17 1HG GLU 17 2.332 8.991 -19.348 144 H ARG 18 H ARG 18 5.701 5.144 -19.205 145 HA ARG 18 HA ARG 18 8.366 6.036 -19.798 146 1HB ARG 18 3HB ARG 18 7.058 3.766 -18.445 147 2HB ARG 18 2HB ARG 18 8.557 3.326 -19.263 148 1HG ARG 18 2HG ARG 18 8.850 5.829 -17.831 149 2HG ARG 18 1HG ARG 18 8.305 4.532 -16.767 150 1HD ARG 18 2HD ARG 18 10.491 3.903 -18.694 151 2HD ARG 18 1HD ARG 18 10.893 4.893 -17.294 152 HE ARG 18 HE ARG 18 9.969 3.008 -15.884 153 1HH1 ARG 18 1HH1 ARG 18 11.817 2.601 -18.692 154 2HH1 ARG 18 2HH1 ARG 18 11.712 0.872 -18.706 155 1HH2 ARG 18 1HH2 ARG 18 9.446 0.721 -16.087 156 2HH2 ARG 18 2HH2 ARG 18 10.373 -0.191 -17.232 157 H ARG 19 H ARG 19 6.290 3.448 -20.964 158 HA ARG 19 HA ARG 19 8.050 2.469 -22.963 159 1HB ARG 19 3HB ARG 19 5.293 2.070 -22.087 160 2HB ARG 19 2HB ARG 19 5.452 1.980 -23.837 161 1HG ARG 19 2HG ARG 19 7.647 0.594 -22.613 162 2HG ARG 19 1HG ARG 19 6.131 -0.001 -21.937 163 1HD ARG 19 2HD ARG 19 5.259 -0.485 -24.142 164 2HD ARG 19 1HD ARG 19 6.640 0.298 -24.911 165 HE ARG 19 HE ARG 19 7.731 -1.734 -23.324 166 1HH1 ARG 19 1HH2 ARG 19 4.848 -2.230 -24.891 167 2HH1 ARG 19 2HH2 ARG 19 5.428 -3.430 -25.997 168 1HH2 ARG 19 1HH1 ARG 19 8.763 -2.955 -25.180 169 2HH2 ARG 19 2HH1 ARG 19 7.642 -3.840 -26.161 170 H LYS 20 H LYS 20 5.500 4.875 -22.848 171 HA LYS 20 HA LYS 20 5.585 5.444 -25.654 172 1HB LYS 20 3HB LYS 20 3.713 5.977 -23.912 173 2HB LYS 20 2HB LYS 20 4.651 7.446 -23.631 174 1HG LYS 20 2HG LYS 20 3.602 8.337 -25.417 175 2HG LYS 20 1HG LYS 20 4.527 7.217 -26.417 176 1HD LYS 20 2HD LYS 20 2.713 5.495 -25.977 177 2HD LYS 20 1HD LYS 20 1.761 6.796 -25.259 178 1HE LYS 20 2HE LYS 20 2.111 8.081 -27.431 179 2HE LYS 20 1HE LYS 20 2.742 6.583 -28.113 180 1HZ LYS 20 1HZ LYS 20 0.308 7.000 -28.462 181 2HZ LYS 20 2HZ LYS 20 0.096 6.755 -26.794 182 3HZ LYS 20 3HZ LYS 20 0.696 5.501 -27.769 183 H ILE 21 H ILE 21 7.499 6.389 -22.968 184 HA ILE 21 HA ILE 21 8.659 8.621 -24.523 185 HB ILE 21 HB ILE 21 8.254 8.103 -21.715 186 1HG1 ILE 21 2HG1 ILE 21 9.215 10.590 -21.785 187 2HG1 ILE 21 1HG1 ILE 21 8.948 10.376 -23.516 188 1HG2 ILE 21 1HG2 ILE 21 10.677 7.334 -21.936 189 2HG2 ILE 21 2HG2 ILE 21 10.368 8.616 -20.767 190 3HG2 ILE 21 3HG2 ILE 21 11.064 9.004 -22.341 191 1HD1 ILE 21 1HD1 ILE 21 6.751 9.468 -21.737 192 2HD1 ILE 21 2HD1 ILE 21 6.671 10.291 -23.294 193 3HD1 ILE 21 3HD1 ILE 21 7.007 11.210 -21.826 194 H LEU 22 H LEU 22 9.602 5.597 -22.957 195 HA LEU 22 HA LEU 22 12.336 5.559 -23.525 196 1HB LEU 22 3HB LEU 22 10.669 3.810 -22.442 197 2HB LEU 22 2HB LEU 22 10.725 3.114 -24.059 198 HG LEU 22 HG LEU 22 13.280 3.367 -23.862 199 1HD1 LEU 22 1HD1 LEU 22 14.030 4.291 -21.959 200 2HD1 LEU 22 2HD1 LEU 22 13.353 2.929 -21.065 201 3HD1 LEU 22 3HD1 LEU 22 12.386 4.380 -21.329 202 1HD2 LEU 22 1HD2 LEU 22 13.206 1.147 -23.512 203 2HD2 LEU 22 2HD2 LEU 22 11.466 1.356 -23.308 204 3HD2 LEU 22 3HD2 LEU 22 12.524 1.353 -21.897 205 H GLN 23 H GLN 23 9.603 5.165 -25.606 206 HA GLN 23 HA GLN 23 10.950 4.056 -27.868 207 1HB GLN 23 3HB GLN 23 9.037 4.853 -29.131 208 2HB GLN 23 2HB GLN 23 8.467 4.189 -27.604 209 1HG GLN 23 2HG GLN 23 8.562 6.485 -26.652 210 2HG GLN 23 1HG GLN 23 8.931 7.086 -28.263 211 1HE2 GLN 23 1HE2 GLN 23 6.840 8.291 -28.242 212 2HE2 GLN 23 2HE2 GLN 23 5.383 7.465 -28.511 213 H ALA 24 H ALA 24 10.317 7.155 -26.610 214 HA ALA 24 HA ALA 24 11.863 8.540 -28.694 215 1HB ALA 24 1HB ALA 24 9.842 9.296 -26.680 216 2HB ALA 24 2HB ALA 24 10.108 9.942 -28.299 217 3HB ALA 24 3HB ALA 24 11.108 10.491 -26.954 218 H PHE 25 H PHE 25 12.524 6.963 -25.889 219 HA PHE 25 HA PHE 25 15.097 8.297 -25.558 220 1HB PHE 25 3HB PHE 25 13.094 8.162 -23.280 221 2HB PHE 25 2HB PHE 25 14.776 8.662 -23.129 222 HD1 PHE 25 HD1 PHE 25 15.510 10.843 -23.846 223 HD2 PHE 25 HD2 PHE 25 11.482 9.540 -24.574 224 HE1 PHE 25 HE1 PHE 25 14.872 13.160 -24.462 225 HE2 PHE 25 HE2 PHE 25 10.845 11.856 -25.192 226 HZ PHE 25 HZ PHE 25 12.540 13.665 -25.135 227 HA PRO 26 HA PRO 26 14.812 3.699 -24.845 228 1HB PRO 26 3HB PRO 26 16.625 3.054 -26.798 229 2HB PRO 26 2HB PRO 26 14.882 3.181 -27.066 230 1HG PRO 26 2HG PRO 26 17.038 5.110 -27.822 231 2HG PRO 26 1HG PRO 26 15.495 4.779 -28.629 232 1HD PRO 26 2HD PRO 26 15.981 6.991 -26.978 233 2HD PRO 26 1HD PRO 26 14.376 6.366 -27.384 234 H ASP 27 H ASP 27 17.143 6.145 -24.668 235 HA ASP 27 HA ASP 27 19.146 4.315 -23.447 236 1HB ASP 27 3HB ASP 27 19.408 6.569 -25.138 237 2HB ASP 27 2HB ASP 27 20.059 7.006 -23.562 238 H MET 28 H MET 28 17.127 7.119 -22.965 239 HA MET 28 HA MET 28 17.953 7.745 -20.301 240 1HB MET 28 3HB MET 28 16.270 8.935 -22.076 241 2HB MET 28 2HB MET 28 15.139 8.197 -20.946 242 1HG MET 28 2HG MET 28 16.053 9.337 -19.092 243 2HG MET 28 1HG MET 28 17.508 9.783 -19.982 244 1HE MET 28 1HE MET 28 13.391 11.232 -21.367 245 2HE MET 28 2HE MET 28 13.602 10.029 -20.098 246 3HE MET 28 3HE MET 28 14.175 9.690 -21.726 247 H HIS 29 H HIS 29 18.101 5.863 -19.166 248 HA HIS 29 HA HIS 29 16.008 3.890 -19.201 249 1HB HIS 29 3HB HIS 29 17.375 2.670 -17.736 250 2HB HIS 29 2HB HIS 29 18.506 3.594 -18.722 251 HD1 HIS 29 HD1 HIS 29 18.970 2.594 -15.682 252 HD2 HIS 29 HD2 HIS 29 18.015 6.461 -16.915 253 HE1 HIS 29 HE1 HIS 29 19.756 4.147 -13.843 254 H ASN 30 H ASN 30 15.683 3.187 -16.533 255 HA ASN 30 HA ASN 30 13.454 4.725 -15.754 256 1HB ASN 30 3HB ASN 30 15.221 3.043 -13.956 257 2HB ASN 30 2HB ASN 30 13.546 3.504 -13.643 258 1HD2 ASN 30 1HD2 ASN 30 11.879 2.303 -14.692 259 2HD2 ASN 30 2HD2 ASN 30 12.189 0.982 -15.714 260 H SER 31 H SER 31 16.409 4.571 -13.741 261 HA SER 31 HA SER 31 16.031 6.640 -12.038 262 1HB SER 31 3HB SER 31 18.250 5.262 -12.845 263 2HB SER 31 2HB SER 31 18.641 6.916 -13.284 264 HG SER 31 HG SER 31 18.009 5.831 -10.767 265 H ASN 32 H ASN 32 16.662 7.043 -15.479 266 HA ASN 32 HA ASN 32 16.704 9.970 -15.155 267 1HB ASN 32 3HB ASN 32 17.120 8.157 -17.493 268 2HB ASN 32 2HB ASN 32 17.060 9.901 -17.649 269 1HD2 ASN 32 1HD2 ASN 32 19.377 7.843 -17.901 270 2HD2 ASN 32 2HD2 ASN 32 20.591 8.491 -16.906 271 H ILE 33 H ILE 33 14.819 7.468 -16.840 272 HA ILE 33 HA ILE 33 12.804 9.177 -17.884 273 HB ILE 33 HB ILE 33 12.626 6.319 -16.900 274 1HG1 ILE 33 2HG1 ILE 33 14.141 7.092 -18.893 275 2HG1 ILE 33 1HG1 ILE 33 13.108 5.679 -19.100 276 1HG2 ILE 33 1HG2 ILE 33 10.600 6.429 -18.598 277 2HG2 ILE 33 2HG2 ILE 33 10.621 8.143 -18.182 278 3HG2 ILE 33 3HG2 ILE 33 10.382 6.935 -16.921 279 1HD1 ILE 33 1HD1 ILE 33 13.130 7.681 -20.879 280 2HD1 ILE 33 2HD1 ILE 33 11.934 8.339 -19.762 281 3HD1 ILE 33 3HD1 ILE 33 11.665 6.769 -20.516 282 H SER 34 H SER 34 13.341 7.827 -14.703 283 HA SER 34 HA SER 34 10.890 8.188 -13.430 284 1HB SER 34 3HB SER 34 13.652 8.031 -12.658 285 2HB SER 34 2HB SER 34 12.856 9.285 -11.711 286 HG SER 34 HG SER 34 11.251 7.742 -11.179 287 H LYS 35 H LYS 35 13.390 10.643 -14.087 288 HA LYS 35 HA LYS 35 11.927 12.791 -12.897 289 1HB LYS 35 3HB LYS 35 13.971 12.940 -15.133 290 2HB LYS 35 2HB LYS 35 13.490 14.257 -14.063 291 1HG LYS 35 2HG LYS 35 14.360 13.010 -12.124 292 2HG LYS 35 1HG LYS 35 14.836 11.686 -13.188 293 1HD LYS 35 2HD LYS 35 15.808 14.438 -13.838 294 2HD LYS 35 1HD LYS 35 16.577 13.573 -12.507 295 1HE LYS 35 2HE LYS 35 16.157 11.968 -14.951 296 2HE LYS 35 1HE LYS 35 17.308 13.293 -15.120 297 1HZ LYS 35 1HZ LYS 35 17.474 11.573 -12.752 298 2HZ LYS 35 2HZ LYS 35 18.706 12.407 -13.572 299 3HZ LYS 35 3HZ LYS 35 18.064 10.977 -14.226 300 H ILE 36 H ILE 36 11.930 11.176 -15.956 301 HA ILE 36 HA ILE 36 10.385 13.161 -17.343 302 HB ILE 36 HB ILE 36 11.133 10.343 -17.886 303 1HG1 ILE 36 2HG1 ILE 36 12.234 11.364 -19.828 304 2HG1 ILE 36 1HG1 ILE 36 11.544 12.928 -19.400 305 1HG2 ILE 36 1HG2 ILE 36 9.230 12.016 -19.543 306 2HG2 ILE 36 2HG2 ILE 36 8.808 10.545 -18.667 307 3HG2 ILE 36 3HG2 ILE 36 9.913 10.467 -20.038 308 1HD1 ILE 36 1HD1 ILE 36 13.979 12.408 -18.640 309 2HD1 ILE 36 2HD1 ILE 36 13.211 11.400 -17.414 310 3HD1 ILE 36 3HD1 ILE 36 12.873 13.129 -17.470 311 H LEU 37 H LEU 37 9.567 9.908 -16.210 312 HA LEU 37 HA LEU 37 6.763 10.050 -16.481 313 1HB LEU 37 3HB LEU 37 8.587 8.643 -14.548 314 2HB LEU 37 2HB LEU 37 6.841 8.487 -14.442 315 HG LEU 37 HG LEU 37 8.651 7.665 -16.710 316 1HD1 LEU 37 1HD1 LEU 37 6.878 5.662 -16.161 317 2HD1 LEU 37 2HD1 LEU 37 7.061 6.417 -14.576 318 3HD1 LEU 37 3HD1 LEU 37 8.477 5.809 -15.430 319 1HD2 LEU 37 1HD2 LEU 37 6.949 8.399 -18.069 320 2HD2 LEU 37 2HD2 LEU 37 5.782 8.449 -16.749 321 3HD2 LEU 37 3HD2 LEU 37 6.162 6.915 -17.532 322 H GLY 38 H GLY 38 8.646 10.444 -13.500 323 1HA GLY 38 2HA GLY 38 6.605 11.476 -11.856 324 2HA GLY 38 1HA GLY 38 8.323 11.767 -11.597 325 H SER 39 H SER 39 8.119 12.972 -14.524 326 HA SER 39 HA SER 39 7.328 15.645 -13.528 327 1HB SER 39 3HB SER 39 8.645 16.567 -15.384 328 2HB SER 39 2HB SER 39 9.644 15.483 -14.423 329 HG SER 39 HG SER 39 9.434 15.318 -16.917 330 H ARG 40 H ARG 40 6.466 13.041 -15.505 331 HA ARG 40 HA ARG 40 4.790 14.644 -17.290 332 1HB ARG 40 3HB ARG 40 5.576 11.797 -16.976 333 2HB ARG 40 2HB ARG 40 4.212 12.214 -17.989 334 1HG ARG 40 2HG ARG 40 6.568 13.907 -18.403 335 2HG ARG 40 1HG ARG 40 6.845 12.211 -18.792 336 1HD ARG 40 2HD ARG 40 5.476 12.269 -20.575 337 2HD ARG 40 1HD ARG 40 4.280 13.268 -19.763 338 HE ARG 40 HE ARG 40 5.228 14.833 -21.316 339 1HH1 ARG 40 1HH1 ARG 40 7.844 12.920 -20.566 340 2HH1 ARG 40 2HH1 ARG 40 8.976 14.217 -20.374 341 1HH2 ARG 40 1HH2 ARG 40 6.563 16.699 -20.512 342 2HH2 ARG 40 2HH2 ARG 40 8.252 16.353 -20.344 343 H TRP 41 H TRP 41 4.783 12.632 -14.493 344 HA TRP 41 HA TRP 41 1.953 12.321 -14.139 345 1HB TRP 41 3HB TRP 41 3.810 10.985 -13.053 346 2HB TRP 41 2HB TRP 41 4.112 12.385 -12.036 347 HD1 TRP 41 HD1 TRP 41 2.728 12.480 -9.898 348 HE1 TRP 41 HE1 TRP 41 0.534 11.362 -9.056 349 HE3 TRP 41 HE3 TRP 41 1.362 10.067 -14.107 350 HZ2 TRP 41 HZ2 TRP 41 -1.539 9.643 -10.118 351 HZ3 TRP 41 HZ3 TRP 41 -0.698 8.701 -14.189 352 HH2 TRP 41 HH2 TRP 41 -2.145 8.506 -12.253 353 H LYS 42 H LYS 42 4.345 14.400 -12.497 354 HA LYS 42 HA LYS 42 2.389 15.917 -11.089 355 1HB LYS 42 3HB LYS 42 5.231 16.538 -11.950 356 2HB LYS 42 2HB LYS 42 4.266 17.667 -10.997 357 1HG LYS 42 2HG LYS 42 3.851 15.590 -9.452 358 2HG LYS 42 1HG LYS 42 5.297 14.949 -10.231 359 1HD LYS 42 2HD LYS 42 6.112 17.487 -9.637 360 2HD LYS 42 1HD LYS 42 5.024 17.157 -8.287 361 1HE LYS 42 2HE LYS 42 6.367 14.806 -8.387 362 2HE LYS 42 1HE LYS 42 7.622 15.897 -8.972 363 1HZ LYS 42 1HZ LYS 42 6.594 17.264 -6.897 364 2HZ LYS 42 2HZ LYS 42 7.975 16.277 -6.815 365 3HZ LYS 42 3HZ LYS 42 6.461 15.667 -6.343 366 H ALA 43 H ALA 43 3.364 15.778 -14.354 367 HA ALA 43 HA ALA 43 2.455 18.440 -15.030 368 1HB ALA 43 1HB ALA 43 3.024 17.645 -17.376 369 2HB ALA 43 2HB ALA 43 3.585 16.151 -16.622 370 3HB ALA 43 3HB ALA 43 4.364 17.685 -16.230 371 H MET 44 H MET 44 1.057 15.241 -14.905 372 HA MET 44 HA MET 44 -0.864 15.570 -16.979 373 1HB MET 44 3HB MET 44 -2.205 13.856 -15.654 374 2HB MET 44 2HB MET 44 -0.584 13.357 -16.109 375 1HG MET 44 2HG MET 44 0.088 13.220 -13.964 376 2HG MET 44 1HG MET 44 -0.690 14.743 -13.527 377 1HE MET 44 1HE MET 44 -2.866 11.857 -15.282 378 2HE MET 44 2HE MET 44 -2.722 10.672 -13.985 379 3HE MET 44 3HE MET 44 -1.272 11.278 -14.779 380 H THR 45 H THR 45 -2.767 15.086 -14.231 381 HA THR 45 HA THR 45 -3.218 17.970 -13.804 382 HB THR 45 HB THR 45 -5.773 17.256 -14.269 383 HG1 THR 45 HG1 THR 45 -5.818 15.493 -15.377 384 1HG2 THR 45 1HG2 THR 45 -3.964 17.988 -16.568 385 2HG2 THR 45 2HG2 THR 45 -4.226 19.111 -15.235 386 3HG2 THR 45 3HG2 THR 45 -5.589 18.580 -16.221 387 H ASN 46 H ASN 46 -2.850 15.103 -12.397 388 HA ASN 46 HA ASN 46 -3.387 14.294 -10.259 389 1HB ASN 46 3HB ASN 46 -4.809 16.959 -9.952 390 2HB ASN 46 2HB ASN 46 -4.431 15.833 -8.650 391 1HD2 ASN 46 1HD2 ASN 46 -3.358 18.358 -8.374 392 2HD2 ASN 46 2HD2 ASN 46 -1.691 18.342 -8.695 393 H LEU 47 H LEU 47 -6.177 16.171 -11.451 394 HA LEU 47 HA LEU 47 -8.161 14.331 -10.539 395 1HB LEU 47 3HB LEU 47 -8.158 16.811 -11.809 396 2HB LEU 47 2HB LEU 47 -8.857 15.729 -13.014 397 HG LEU 47 HG LEU 47 -10.639 16.610 -11.602 398 1HD1 LEU 47 1HD1 LEU 47 -10.219 13.813 -10.578 399 2HD1 LEU 47 2HD1 LEU 47 -10.455 14.082 -12.305 400 3HD1 LEU 47 3HD1 LEU 47 -11.702 14.572 -11.158 401 1HD2 LEU 47 1HD2 LEU 47 -10.509 16.760 -9.318 402 2HD2 LEU 47 2HD2 LEU 47 -8.775 16.704 -9.632 403 3HD2 LEU 47 3HD2 LEU 47 -9.633 15.236 -9.167 404 H GLU 48 H GLU 48 -6.043 14.379 -13.302 405 HA GLU 48 HA GLU 48 -7.544 12.466 -14.893 406 1HB GLU 48 3HB GLU 48 -4.957 13.863 -15.052 407 2HB GLU 48 2HB GLU 48 -4.923 12.228 -15.714 408 1HG GLU 48 2HG GLU 48 -7.327 13.704 -16.492 409 2HG GLU 48 1HG GLU 48 -5.843 14.485 -17.040 410 H LYS 49 H LYS 49 -6.026 12.151 -11.974 411 HA LYS 49 HA LYS 49 -4.727 9.571 -12.422 412 1HB LYS 49 3HB LYS 49 -5.431 11.023 -9.855 413 2HB LYS 49 2HB LYS 49 -4.350 9.644 -9.999 414 1HG LYS 49 2HG LYS 49 -2.876 10.966 -11.494 415 2HG LYS 49 1HG LYS 49 -3.942 12.357 -11.281 416 1HD LYS 49 2HD LYS 49 -2.373 10.939 -9.106 417 2HD LYS 49 1HD LYS 49 -2.064 12.556 -9.738 418 1HE LYS 49 2HE LYS 49 -4.255 13.311 -8.916 419 2HE LYS 49 1HE LYS 49 -4.602 11.687 -8.319 420 1HZ LYS 49 1HZ LYS 49 -3.435 13.640 -6.879 421 2HZ LYS 49 2HZ LYS 49 -2.083 12.764 -7.420 422 3HZ LYS 49 3HZ LYS 49 -3.309 11.982 -6.540 423 H GLN 50 H GLN 50 -7.947 10.445 -12.187 424 HA GLN 50 HA GLN 50 -9.004 8.572 -10.330 425 1HB GLN 50 3HB GLN 50 -10.559 9.105 -12.817 426 2HB GLN 50 2HB GLN 50 -11.082 9.108 -11.138 427 1HG GLN 50 2HG GLN 50 -9.304 11.189 -11.149 428 2HG GLN 50 1HG GLN 50 -9.997 11.302 -12.767 429 1HE2 GLN 50 1HE2 GLN 50 -10.569 12.040 -9.460 430 2HE2 GLN 50 2HE2 GLN 50 -12.210 12.451 -9.602 431 HA PRO 51 HA PRO 51 -9.450 5.501 -13.975 432 1HB PRO 51 3HB PRO 51 -7.992 6.018 -16.232 433 2HB PRO 51 2HB PRO 51 -9.649 6.566 -15.966 434 1HG PRO 51 2HG PRO 51 -7.123 8.142 -15.862 435 2HG PRO 51 1HG PRO 51 -8.763 8.681 -16.257 436 1HD PRO 51 2HD PRO 51 -7.455 9.052 -13.788 437 2HD PRO 51 1HD PRO 51 -9.193 9.264 -14.080 438 H TYR 52 H TYR 52 -6.159 6.932 -14.081 439 HA TYR 52 HA TYR 52 -4.863 4.382 -14.339 440 1HB TYR 52 3HB TYR 52 -3.603 6.793 -13.044 441 2HB TYR 52 2HB TYR 52 -2.834 5.555 -14.040 442 HD1 TYR 52 HD1 TYR 52 -4.989 5.381 -16.157 443 HD2 TYR 52 HD2 TYR 52 -3.039 8.728 -14.320 444 HE1 TYR 52 HE1 TYR 52 -5.448 6.738 -18.164 445 HE2 TYR 52 HE2 TYR 52 -3.490 10.096 -16.325 446 HH TYR 52 HH TYR 52 -3.913 9.553 -18.872 447 H TYR 53 H TYR 53 -6.565 5.791 -11.822 448 HA TYR 53 HA TYR 53 -4.943 4.660 -9.673 449 1HB TYR 53 3HB TYR 53 -7.148 6.496 -9.911 450 2HB TYR 53 2HB TYR 53 -7.526 5.262 -8.727 451 HD1 TYR 53 HD1 TYR 53 -4.704 7.505 -9.761 452 HD2 TYR 53 HD2 TYR 53 -6.708 5.484 -6.544 453 HE1 TYR 53 HE1 TYR 53 -3.175 8.577 -8.135 454 HE2 TYR 53 HE2 TYR 53 -5.179 6.558 -4.916 455 HH TYR 53 HH TYR 53 -3.742 8.804 -4.947 456 H GLU 54 H GLU 54 -8.231 4.057 -10.894 457 HA GLU 54 HA GLU 54 -8.587 1.624 -9.468 458 1HB GLU 54 3HB GLU 54 -9.915 2.567 -11.976 459 2HB GLU 54 2HB GLU 54 -10.511 1.292 -10.933 460 1HG GLU 54 2HG GLU 54 -10.199 3.274 -9.115 461 2HG GLU 54 1HG GLU 54 -10.570 4.232 -10.549 462 H GLU 55 H GLU 55 -7.260 2.340 -12.664 463 HA GLU 55 HA GLU 55 -7.209 -0.409 -13.487 464 1HB GLU 55 3HB GLU 55 -6.018 0.318 -15.373 465 2HB GLU 55 2HB GLU 55 -7.050 1.686 -14.968 466 1HG GLU 55 2HG GLU 55 -5.213 2.699 -13.718 467 2HG GLU 55 1HG GLU 55 -4.174 1.344 -14.128 468 H GLN 56 H GLN 56 -5.452 1.306 -11.177 469 HA GLN 56 HA GLN 56 -2.969 -0.219 -11.474 470 1HB GLN 56 3HB GLN 56 -2.118 1.194 -9.913 471 2HB GLN 56 2HB GLN 56 -3.507 2.177 -10.308 472 1HG GLN 56 2HG GLN 56 -4.694 1.382 -8.369 473 2HG GLN 56 1HG GLN 56 -3.492 0.130 -8.073 474 1HE2 GLN 56 1HE2 GLN 56 -4.004 3.662 -8.000 475 2HE2 GLN 56 2HE2 GLN 56 -2.706 3.991 -6.956 476 H ALA 57 H ALA 57 -5.541 -0.045 -9.092 477 HA ALA 57 HA ALA 57 -4.837 -2.345 -7.614 478 1HB ALA 57 1HB ALA 57 -7.680 -2.066 -7.668 479 2HB ALA 57 2HB ALA 57 -6.984 -0.447 -7.725 480 3HB ALA 57 3HB ALA 57 -6.570 -1.539 -6.402 481 H ARG 58 H ARG 58 -6.633 -1.914 -10.590 482 HA ARG 58 HA ARG 58 -7.678 -4.606 -10.703 483 1HB ARG 58 3HB ARG 58 -7.576 -2.242 -12.473 484 2HB ARG 58 2HB ARG 58 -7.625 -3.799 -13.304 485 1HG ARG 58 2HG ARG 58 -9.508 -4.239 -11.416 486 2HG ARG 58 1HG ARG 58 -9.686 -2.495 -11.610 487 1HD ARG 58 2HD ARG 58 -10.445 -2.672 -13.764 488 2HD ARG 58 1HD ARG 58 -9.447 -4.084 -14.109 489 HE ARG 58 HE ARG 58 -11.629 -4.604 -12.226 490 1HH1 ARG 58 1HH1 ARG 58 -10.522 -6.695 -14.014 491 2HH1 ARG 58 2HH1 ARG 58 -11.735 -6.822 -15.245 492 1HH2 ARG 58 1HH2 ARG 58 -13.229 -3.794 -14.458 493 2HH2 ARG 58 2HH2 ARG 58 -13.266 -5.180 -15.497 494 H LEU 59 H LEU 59 -5.020 -2.996 -12.451 495 HA LEU 59 HA LEU 59 -4.084 -5.364 -13.718 496 1HB LEU 59 3HB LEU 59 -1.992 -4.063 -14.081 497 2HB LEU 59 2HB LEU 59 -3.442 -3.190 -14.558 498 HG LEU 59 HG LEU 59 -3.353 -2.244 -12.109 499 1HD1 LEU 59 1HD1 LEU 59 -1.076 -3.901 -12.107 500 2HD1 LEU 59 2HD1 LEU 59 -1.513 -2.705 -10.887 501 3HD1 LEU 59 3HD1 LEU 59 -0.452 -2.256 -12.223 502 1HD2 LEU 59 1HD2 LEU 59 -2.415 -1.391 -14.633 503 2HD2 LEU 59 2HD2 LEU 59 -1.123 -0.993 -13.501 504 3HD2 LEU 59 3HD2 LEU 59 -2.748 -0.365 -13.241 505 H SER 60 H SER 60 -3.774 -4.346 -10.421 506 HA SER 60 HA SER 60 -1.273 -5.808 -9.964 507 1HB SER 60 3HB SER 60 -3.257 -5.171 -7.791 508 2HB SER 60 2HB SER 60 -1.497 -5.191 -7.712 509 HG SER 60 HG SER 60 -1.442 -3.298 -8.867 510 H LYS 61 H LYS 61 -4.718 -6.340 -9.586 511 HA LYS 61 HA LYS 61 -4.604 -8.919 -8.363 512 1HB LYS 61 3HB LYS 61 -6.566 -7.100 -9.197 513 2HB LYS 61 2HB LYS 61 -6.869 -8.558 -10.141 514 1HG LYS 61 2HG LYS 61 -8.100 -8.893 -8.143 515 2HG LYS 61 1HG LYS 61 -6.626 -9.833 -7.910 516 1HD LYS 61 2HD LYS 61 -5.936 -7.290 -7.010 517 2HD LYS 61 1HD LYS 61 -7.588 -7.508 -6.430 518 1HE LYS 61 2HE LYS 61 -5.470 -9.636 -6.083 519 2HE LYS 61 1HE LYS 61 -5.725 -8.361 -4.890 520 1HZ LYS 61 1HZ LYS 61 -8.231 -9.285 -5.420 521 2HZ LYS 61 2HZ LYS 61 -7.292 -9.680 -4.060 522 3HZ LYS 61 3HZ LYS 61 -7.290 -10.697 -5.421 523 H GLN 62 H GLN 62 -5.185 -8.015 -11.770 524 HA GLN 62 HA GLN 62 -4.995 -10.735 -12.718 525 1HB GLN 62 3HB GLN 62 -4.855 -9.670 -14.980 526 2HB GLN 62 2HB GLN 62 -6.218 -9.086 -14.023 527 1HG GLN 62 2HG GLN 62 -4.291 -7.325 -13.260 528 2HG GLN 62 1HG GLN 62 -3.787 -7.652 -14.918 529 1HE2 GLN 62 1HE2 GLN 62 -6.002 -7.815 -16.414 530 2HE2 GLN 62 2HE2 GLN 62 -7.009 -6.460 -16.240 531 H HIS 63 H HIS 63 -2.631 -8.224 -12.097 532 HA HIS 63 HA HIS 63 -0.518 -9.050 -13.769 533 1HB HIS 63 3HB HIS 63 -0.263 -7.073 -12.395 534 2HB HIS 63 2HB HIS 63 -0.411 -8.022 -10.919 535 HD1 HIS 63 HD1 HIS 63 1.627 -9.191 -13.862 536 HD2 HIS 63 HD2 HIS 63 2.260 -7.555 -10.080 537 HE1 HIS 63 HE1 HIS 63 4.110 -9.380 -13.408 538 H LEU 64 H LEU 64 -0.796 -9.966 -10.339 539 HA LEU 64 HA LEU 64 1.044 -12.100 -10.500 540 1HB LEU 64 3HB LEU 64 -1.337 -11.812 -8.642 541 2HB LEU 64 2HB LEU 64 0.047 -12.864 -8.380 542 HG LEU 64 HG LEU 64 0.680 -11.036 -7.121 543 1HD1 LEU 64 1HD1 LEU 64 2.412 -11.409 -8.834 544 2HD1 LEU 64 2HD1 LEU 64 2.337 -9.714 -8.354 545 3HD1 LEU 64 3HD1 LEU 64 1.619 -10.230 -9.881 546 1HD2 LEU 64 1HD2 LEU 64 -1.410 -9.775 -8.321 547 2HD2 LEU 64 2HD2 LEU 64 -0.049 -8.870 -8.982 548 3HD2 LEU 64 3HD2 LEU 64 -0.273 -8.979 -7.235 549 H GLU 65 H GLU 65 -2.380 -12.016 -11.280 550 HA GLU 65 HA GLU 65 -2.568 -14.901 -11.499 551 1HB GLU 65 3HB GLU 65 -4.344 -12.582 -12.152 552 2HB GLU 65 2HB GLU 65 -4.719 -14.177 -12.810 553 1HG GLU 65 2HG GLU 65 -4.149 -14.769 -10.187 554 2HG GLU 65 1HG GLU 65 -4.929 -13.194 -10.046 555 H LYS 66 H LYS 66 -1.133 -12.525 -13.345 556 HA LYS 66 HA LYS 66 -1.769 -13.669 -15.982 557 1HB LYS 66 3HB LYS 66 -0.315 -11.286 -14.964 558 2HB LYS 66 2HB LYS 66 0.153 -11.903 -16.548 559 1HG LYS 66 2HG LYS 66 -2.678 -11.939 -16.458 560 2HG LYS 66 1HG LYS 66 -2.163 -10.373 -15.833 561 1HD LYS 66 2HD LYS 66 -0.874 -9.912 -17.810 562 2HD LYS 66 1HD LYS 66 -1.079 -11.564 -18.396 563 1HE LYS 66 2HE LYS 66 -3.685 -10.739 -18.027 564 2HE LYS 66 1HE LYS 66 -2.900 -9.269 -18.602 565 1HZ LYS 66 1HZ LYS 66 -2.477 -10.166 -20.608 566 2HZ LYS 66 2HZ LYS 66 -3.797 -11.164 -20.221 567 3HZ LYS 66 3HZ LYS 66 -2.209 -11.724 -19.995 568 H TYR 67 H TYR 67 0.907 -13.841 -13.698 569 HA TYR 67 HA TYR 67 2.549 -15.153 -15.801 570 1HB TYR 67 3HB TYR 67 3.150 -13.937 -13.138 571 2HB TYR 67 2HB TYR 67 4.291 -15.074 -13.861 572 HD1 TYR 67 HD1 TYR 67 3.266 -11.677 -13.749 573 HD2 TYR 67 HD2 TYR 67 4.847 -14.659 -16.407 574 HE1 TYR 67 HE1 TYR 67 4.088 -9.893 -15.263 575 HE2 TYR 67 HE2 TYR 67 5.670 -12.875 -17.918 576 HH TYR 67 HH TYR 67 5.445 -10.641 -18.418 577 HA PRO 68 HA PRO 68 2.062 -18.620 -12.508 578 1HB PRO 68 3HB PRO 68 -0.530 -18.959 -11.689 579 2HB PRO 68 2HB PRO 68 0.644 -17.982 -10.803 580 1HG PRO 68 2HG PRO 68 -1.641 -17.087 -12.483 581 2HG PRO 68 1HG PRO 68 -0.848 -16.258 -11.133 582 1HD PRO 68 2HD PRO 68 -0.443 -15.717 -13.884 583 2HD PRO 68 1HD PRO 68 0.553 -15.128 -12.545 584 H ASP 69 H ASP 69 -1.110 -18.143 -13.985 585 HA ASP 69 HA ASP 69 -1.149 -20.774 -15.158 586 1HB ASP 69 3HB ASP 69 -3.035 -18.694 -14.663 587 2HB ASP 69 2HB ASP 69 -3.097 -19.087 -16.381 588 H TYR 70 H TYR 70 1.098 -19.944 -16.176 589 HA TYR 70 HA TYR 70 1.057 -18.288 -18.465 590 1HB TYR 70 3HB TYR 70 3.228 -19.092 -18.919 591 2HB TYR 70 2HB TYR 70 3.079 -19.278 -17.173 592 HD1 TYR 70 HD1 TYR 70 1.785 -21.638 -16.548 593 HD2 TYR 70 HD2 TYR 70 4.203 -20.882 -20.018 594 HE1 TYR 70 HE1 TYR 70 2.209 -24.071 -16.781 595 HE2 TYR 70 HE2 TYR 70 4.628 -23.315 -20.253 596 HH TYR 70 HH TYR 70 4.279 -25.471 -17.958 Start of MODEL 23 1 HA PRO 1 HA PRO 1 13.334 -11.022 -5.340 2 1HB PRO 1 3HB PRO 1 11.311 -13.033 -5.040 3 2HB PRO 1 2HB PRO 1 13.062 -13.260 -5.153 4 1HG PRO 1 2HG PRO 1 11.413 -13.593 -2.852 5 2HG PRO 1 1HG PRO 1 13.174 -13.734 -2.952 6 1HD PRO 1 2HD PRO 1 11.609 -11.617 -1.765 7 2HD PRO 1 1HD PRO 1 13.363 -11.829 -1.757 8 H HIS 2 H HIS 2 9.995 -11.803 -4.401 9 HA HIS 2 HA HIS 2 9.043 -10.086 -6.625 10 1HB HIS 2 3HB HIS 2 7.750 -12.230 -4.930 11 2HB HIS 2 2HB HIS 2 6.806 -11.193 -6.001 12 HD1 HIS 2 HD1 HIS 2 9.450 -11.197 -8.053 13 HD2 HIS 2 HD2 HIS 2 7.118 -14.406 -6.771 14 HE1 HIS 2 HE1 HIS 2 9.738 -13.027 -9.778 15 H ILE 3 H ILE 3 9.042 -7.977 -5.835 16 HA ILE 3 HA ILE 3 7.303 -7.501 -3.449 17 HB ILE 3 HB ILE 3 9.613 -5.693 -4.108 18 1HG1 ILE 3 2HG1 ILE 3 9.709 -8.236 -2.454 19 2HG1 ILE 3 1HG1 ILE 3 10.581 -7.940 -3.958 20 1HG2 ILE 3 1HG2 ILE 3 8.528 -4.661 -2.389 21 2HG2 ILE 3 2HG2 ILE 3 9.352 -5.857 -1.389 22 3HG2 ILE 3 3HG2 ILE 3 7.688 -6.135 -1.907 23 1HD1 ILE 3 1HD1 ILE 3 12.172 -7.496 -2.255 24 2HD1 ILE 3 2HD1 ILE 3 10.996 -6.624 -1.272 25 3HD1 ILE 3 3HD1 ILE 3 11.607 -5.904 -2.761 26 H LYS 4 H LYS 4 5.876 -7.376 -5.579 27 HA LYS 4 HA LYS 4 6.103 -4.803 -6.993 28 1HB LYS 4 3HB LYS 4 4.504 -7.278 -7.256 29 2HB LYS 4 2HB LYS 4 3.654 -5.796 -7.693 30 1HG LYS 4 2HG LYS 4 6.331 -5.725 -8.763 31 2HG LYS 4 1HG LYS 4 5.531 -7.216 -9.261 32 1HD LYS 4 2HD LYS 4 4.014 -6.120 -10.559 33 2HD LYS 4 1HD LYS 4 3.852 -4.787 -9.415 34 1HE LYS 4 2HE LYS 4 5.015 -4.372 -11.741 35 2HE LYS 4 1HE LYS 4 5.687 -3.640 -10.284 36 1HZ LYS 4 1HZ LYS 4 7.149 -5.054 -11.946 37 2HZ LYS 4 2HZ LYS 4 6.588 -6.329 -10.975 38 3HZ LYS 4 3HZ LYS 4 7.448 -5.042 -10.277 39 H ARG 5 H ARG 5 5.905 -4.231 -4.359 40 HA ARG 5 HA ARG 5 3.087 -3.807 -3.633 41 1HB ARG 5 3HB ARG 5 5.104 -4.426 -2.070 42 2HB ARG 5 2HB ARG 5 5.394 -2.686 -2.081 43 1HG ARG 5 2HG ARG 5 3.937 -2.853 -0.282 44 2HG ARG 5 1HG ARG 5 2.792 -2.580 -1.595 45 1HD ARG 5 2HD ARG 5 3.006 -5.271 -1.740 46 2HD ARG 5 1HD ARG 5 3.308 -5.043 -0.018 47 HE ARG 5 HE ARG 5 0.782 -4.427 -1.425 48 1HH1 ARG 5 1HH2 ARG 5 2.751 -3.672 1.267 49 2HH1 ARG 5 2HH2 ARG 5 1.442 -3.640 2.401 50 1HH2 ARG 5 1HH1 ARG 5 -0.933 -4.658 0.089 51 2HH2 ARG 5 2HH1 ARG 5 -0.644 -4.199 1.734 52 HA PRO 6 HA PRO 6 4.551 0.723 -4.061 53 1HB PRO 6 3HB PRO 6 6.842 1.182 -5.511 54 2HB PRO 6 2HB PRO 6 6.807 0.967 -3.752 55 1HG PRO 6 2HG PRO 6 7.725 -0.930 -5.856 56 2HG PRO 6 1HG PRO 6 8.207 -0.822 -4.155 57 1HD PRO 6 2HD PRO 6 6.399 -2.697 -5.262 58 2HD PRO 6 1HD PRO 6 6.651 -2.388 -3.531 59 H MET 7 H MET 7 2.852 -0.556 -5.769 60 HA MET 7 HA MET 7 3.445 0.539 -8.446 61 1HB MET 7 3HB MET 7 1.055 -1.087 -8.235 62 2HB MET 7 2HB MET 7 2.401 -1.236 -9.344 63 1HG MET 7 2HG MET 7 3.674 -2.521 -7.789 64 2HG MET 7 1HG MET 7 2.545 -2.173 -6.483 65 1HE MET 7 1HE MET 7 0.109 -2.598 -6.626 66 2HE MET 7 2HE MET 7 0.815 -3.955 -5.750 67 3HE MET 7 3HE MET 7 -0.448 -4.246 -6.943 68 H ASN 8 H ASN 8 1.876 1.979 -9.291 69 HA ASN 8 HA ASN 8 -0.526 2.550 -7.779 70 1HB ASN 8 3HB ASN 8 0.741 3.734 -6.256 71 2HB ASN 8 2HB ASN 8 1.900 4.202 -7.473 72 1HD2 ASN 8 1HD2 ASN 8 1.816 6.446 -7.719 73 2HD2 ASN 8 2HD2 ASN 8 0.384 7.355 -7.780 74 H ALA 9 H ALA 9 -1.555 4.607 -8.738 75 HA ALA 9 HA ALA 9 -1.974 4.272 -11.465 76 1HB ALA 9 1HB ALA 9 -2.436 6.976 -11.041 77 2HB ALA 9 2HB ALA 9 -2.641 6.266 -9.441 78 3HB ALA 9 3HB ALA 9 -3.608 5.684 -10.796 79 H PHE 10 H PHE 10 0.460 6.122 -9.788 80 HA PHE 10 HA PHE 10 1.315 7.588 -12.075 81 1HB PHE 10 3HB PHE 10 1.908 8.497 -10.038 82 2HB PHE 10 2HB PHE 10 2.476 6.963 -9.404 83 HD1 PHE 10 HD1 PHE 10 3.214 9.069 -12.437 84 HD2 PHE 10 HD2 PHE 10 4.780 6.873 -9.092 85 HE1 PHE 10 HE1 PHE 10 5.524 9.620 -13.154 86 HE2 PHE 10 HE2 PHE 10 7.089 7.424 -9.812 87 HZ PHE 10 HZ PHE 10 7.461 8.798 -11.841 88 H MET 11 H MET 11 2.989 4.944 -10.367 89 HA MET 11 HA MET 11 4.785 4.446 -12.554 90 1HB MET 11 3HB MET 11 3.859 2.379 -10.537 91 2HB MET 11 2HB MET 11 5.408 2.450 -11.378 92 1HG MET 11 2HG MET 11 5.531 4.832 -10.180 93 2HG MET 11 1HG MET 11 4.446 4.037 -9.039 94 1HE MET 11 1HE MET 11 5.321 3.427 -7.085 95 2HE MET 11 2HE MET 11 6.611 4.611 -7.275 96 3HE MET 11 3HE MET 11 6.991 2.993 -6.691 97 H VAL 12 H VAL 12 1.487 3.844 -11.961 98 HA VAL 12 HA VAL 12 1.234 1.576 -13.771 99 HB VAL 12 HB VAL 12 -0.635 3.352 -12.228 100 1HG1 VAL 12 1HG1 VAL 12 -1.989 3.146 -14.083 101 2HG1 VAL 12 2HG1 VAL 12 -2.433 1.691 -13.189 102 3HG1 VAL 12 3HG1 VAL 12 -1.306 1.587 -14.543 103 1HG2 VAL 12 1HG2 VAL 12 0.607 1.356 -11.233 104 2HG2 VAL 12 2HG2 VAL 12 -0.398 0.341 -12.266 105 3HG2 VAL 12 3HG2 VAL 12 -1.145 1.350 -11.027 106 H TRP 13 H TRP 13 0.446 5.016 -13.742 107 HA TRP 13 HA TRP 13 -0.404 4.886 -16.565 108 1HB TRP 13 3HB TRP 13 -1.580 6.599 -15.661 109 2HB TRP 13 2HB TRP 13 -0.433 6.819 -14.358 110 HD1 TRP 13 HD1 TRP 13 -1.678 8.379 -17.356 111 HE1 TRP 13 HE1 TRP 13 -0.212 10.375 -17.994 112 HE3 TRP 13 HE3 TRP 13 2.403 7.544 -14.414 113 HZ2 TRP 13 HZ2 TRP 13 2.346 11.477 -17.419 114 HZ3 TRP 13 HZ3 TRP 13 4.346 9.063 -14.489 115 HH2 TRP 13 HH2 TRP 13 4.321 11.038 -15.979 116 H ALA 14 H ALA 14 2.382 5.703 -14.703 117 HA ALA 14 HA ALA 14 3.883 6.980 -16.791 118 1HB ALA 14 1HB ALA 14 5.597 7.115 -15.225 119 2HB ALA 14 2HB ALA 14 5.109 5.627 -14.418 120 3HB ALA 14 3HB ALA 14 4.154 7.094 -14.219 121 H LYS 15 H LYS 15 3.175 3.672 -16.122 122 HA LYS 15 HA LYS 15 5.570 2.503 -17.135 123 1HB LYS 15 3HB LYS 15 4.409 0.440 -17.094 124 2HB LYS 15 2HB LYS 15 3.667 1.371 -15.792 125 1HG LYS 15 2HG LYS 15 1.848 2.048 -17.308 126 2HG LYS 15 1HG LYS 15 2.591 1.136 -18.611 127 1HD LYS 15 2HD LYS 15 2.171 -0.945 -17.557 128 2HD LYS 15 1HD LYS 15 1.855 -0.180 -15.999 129 1HE LYS 15 2HE LYS 15 -0.322 -0.524 -16.659 130 2HE LYS 15 1HE LYS 15 -0.055 1.037 -17.436 131 1HZ LYS 15 1HZ LYS 15 -0.992 -0.879 -18.830 132 2HZ LYS 15 2HZ LYS 15 0.600 -1.472 -18.840 133 3HZ LYS 15 3HZ LYS 15 0.258 0.058 -19.491 134 H ASP 16 H ASP 16 2.575 3.593 -18.600 135 HA ASP 16 HA ASP 16 3.417 2.673 -21.249 136 1HB ASP 16 3HB ASP 16 0.968 2.801 -20.472 137 2HB ASP 16 2HB ASP 16 1.127 4.551 -20.627 138 H GLU 17 H GLU 17 2.966 5.663 -19.467 139 HA GLU 17 HA GLU 17 3.795 7.523 -21.380 140 1HB GLU 17 3HB GLU 17 3.561 7.220 -18.486 141 2HB GLU 17 2HB GLU 17 4.743 8.426 -18.963 142 1HG GLU 17 2HG GLU 17 2.525 9.417 -18.743 143 2HG GLU 17 1HG GLU 17 3.032 9.451 -20.423 144 H ARG 18 H ARG 18 5.659 5.390 -19.259 145 HA ARG 18 HA ARG 18 8.225 6.553 -20.031 146 1HB ARG 18 3HB ARG 18 9.229 4.924 -18.636 147 2HB ARG 18 2HB ARG 18 7.700 5.269 -17.838 148 1HG ARG 18 2HG ARG 18 6.720 3.249 -18.584 149 2HG ARG 18 1HG ARG 18 7.963 2.995 -19.808 150 1HD ARG 18 2HD ARG 18 9.648 2.664 -18.046 151 2HD ARG 18 1HD ARG 18 8.411 2.915 -16.814 152 HE ARG 18 HE ARG 18 7.326 0.827 -17.627 153 1HH1 ARG 18 1HH1 ARG 18 9.505 1.274 -20.011 154 2HH1 ARG 18 2HH1 ARG 18 10.354 -0.224 -19.821 155 1HH2 ARG 18 1HH2 ARG 18 8.856 -0.995 -16.790 156 2HH2 ARG 18 2HH2 ARG 18 9.988 -1.509 -17.998 157 H ARG 19 H ARG 19 6.210 3.826 -20.910 158 HA ARG 19 HA ARG 19 8.088 2.654 -22.731 159 1HB ARG 19 3HB ARG 19 6.478 1.067 -22.925 160 2HB ARG 19 2HB ARG 19 5.695 1.905 -21.613 161 1HG ARG 19 2HG ARG 19 3.924 2.013 -23.003 162 2HG ARG 19 1HG ARG 19 4.783 3.323 -23.788 163 1HD ARG 19 2HD ARG 19 5.723 1.836 -25.432 164 2HD ARG 19 1HD ARG 19 5.147 0.419 -24.554 165 HE ARG 19 HE ARG 19 2.843 1.878 -25.125 166 1HH1 ARG 19 1HH2 ARG 19 5.046 2.246 -27.452 167 2HH1 ARG 19 2HH2 ARG 19 4.325 1.208 -28.635 168 1HH2 ARG 19 1HH1 ARG 19 2.075 -0.208 -26.413 169 2HH2 ARG 19 2HH1 ARG 19 2.644 -0.180 -28.048 170 H LYS 20 H LYS 20 5.596 5.087 -22.884 171 HA LYS 20 HA LYS 20 5.702 5.443 -25.729 172 1HB LYS 20 3HB LYS 20 3.770 6.098 -24.220 173 2HB LYS 20 2HB LYS 20 4.762 7.455 -23.686 174 1HG LYS 20 2HG LYS 20 3.629 8.472 -25.425 175 2HG LYS 20 1HG LYS 20 5.017 7.838 -26.310 176 1HD LYS 20 2HD LYS 20 3.772 5.923 -27.057 177 2HD LYS 20 1HD LYS 20 2.432 6.302 -25.976 178 1HE LYS 20 2HE LYS 20 2.222 8.515 -27.246 179 2HE LYS 20 1HE LYS 20 3.311 7.813 -28.443 180 1HZ LYS 20 1HZ LYS 20 1.772 5.987 -28.739 181 2HZ LYS 20 2HZ LYS 20 0.983 7.465 -29.020 182 3HZ LYS 20 3HZ LYS 20 0.734 6.628 -27.562 183 H ILE 21 H ILE 21 7.584 6.536 -23.077 184 HA ILE 21 HA ILE 21 8.818 8.644 -24.737 185 HB ILE 21 HB ILE 21 8.293 8.324 -21.934 186 1HG1 ILE 21 2HG1 ILE 21 9.530 10.747 -22.215 187 2HG1 ILE 21 1HG1 ILE 21 9.030 10.415 -23.874 188 1HG2 ILE 21 1HG2 ILE 21 10.587 9.228 -21.190 189 2HG2 ILE 21 2HG2 ILE 21 11.199 8.536 -22.693 190 3HG2 ILE 21 3HG2 ILE 21 10.445 7.496 -21.485 191 1HD1 ILE 21 1HD1 ILE 21 6.781 10.441 -23.349 192 2HD1 ILE 21 2HD1 ILE 21 7.372 11.573 -22.132 193 3HD1 ILE 21 3HD1 ILE 21 7.052 9.894 -21.695 194 H LEU 22 H LEU 22 9.704 5.769 -22.883 195 HA LEU 22 HA LEU 22 12.437 5.609 -23.477 196 1HB LEU 22 3HB LEU 22 10.749 4.064 -22.157 197 2HB LEU 22 2HB LEU 22 10.734 3.171 -23.675 198 HG LEU 22 HG LEU 22 13.320 3.379 -23.542 199 1HD1 LEU 22 1HD1 LEU 22 12.367 4.357 -20.919 200 2HD1 LEU 22 2HD1 LEU 22 13.883 4.681 -21.759 201 3HD1 LEU 22 3HD1 LEU 22 13.678 3.181 -20.855 202 1HD2 LEU 22 1HD2 LEU 22 12.016 1.619 -21.483 203 2HD2 LEU 22 2HD2 LEU 22 13.357 1.241 -22.565 204 3HD2 LEU 22 3HD2 LEU 22 11.718 1.379 -23.203 205 H GLN 23 H GLN 23 9.658 5.080 -25.447 206 HA GLN 23 HA GLN 23 10.852 3.590 -27.560 207 1HB GLN 23 3HB GLN 23 8.964 4.301 -28.875 208 2HB GLN 23 2HB GLN 23 8.384 4.008 -27.239 209 1HG GLN 23 2HG GLN 23 8.715 6.418 -26.760 210 2HG GLN 23 1HG GLN 23 9.108 6.663 -28.457 211 1HE2 GLN 23 1HE2 GLN 23 7.132 8.068 -28.609 212 2HE2 GLN 23 2HE2 GLN 23 5.600 7.347 -28.732 213 H ALA 24 H ALA 24 10.505 6.879 -26.757 214 HA ALA 24 HA ALA 24 12.054 7.815 -29.067 215 1HB ALA 24 1HB ALA 24 10.357 9.110 -26.968 216 2HB ALA 24 2HB ALA 24 10.248 9.245 -28.724 217 3HB ALA 24 3HB ALA 24 11.532 10.085 -27.851 218 H PHE 25 H PHE 25 12.708 6.670 -26.020 219 HA PHE 25 HA PHE 25 15.386 7.836 -26.054 220 1HB PHE 25 3HB PHE 25 13.651 8.153 -23.590 221 2HB PHE 25 2HB PHE 25 15.283 8.774 -23.837 222 HD1 PHE 25 HD1 PHE 25 11.755 9.381 -24.316 223 HD2 PHE 25 HD2 PHE 25 15.678 10.511 -25.649 224 HE1 PHE 25 HE1 PHE 25 10.821 11.455 -25.305 225 HE2 PHE 25 HE2 PHE 25 14.745 12.585 -26.639 226 HZ PHE 25 HZ PHE 25 12.316 13.056 -26.466 227 HA PRO 26 HA PRO 26 14.994 3.430 -24.670 228 1HB PRO 26 3HB PRO 26 16.879 2.534 -26.459 229 2HB PRO 26 2HB PRO 26 15.144 2.610 -26.809 230 1HG PRO 26 2HG PRO 26 17.331 4.459 -27.704 231 2HG PRO 26 1HG PRO 26 15.842 3.994 -28.546 232 1HD PRO 26 2HD PRO 26 16.173 6.419 -27.215 233 2HD PRO 26 1HD PRO 26 14.605 5.667 -27.540 234 H ASP 27 H ASP 27 17.228 5.919 -24.615 235 HA ASP 27 HA ASP 27 19.293 4.295 -23.224 236 1HB ASP 27 3HB ASP 27 19.368 6.640 -24.907 237 2HB ASP 27 2HB ASP 27 20.182 6.924 -23.374 238 H MET 28 H MET 28 16.950 6.820 -22.925 239 HA MET 28 HA MET 28 17.645 7.825 -20.356 240 1HB MET 28 3HB MET 28 15.873 8.662 -22.109 241 2HB MET 28 2HB MET 28 14.815 7.598 -21.194 242 1HG MET 28 2HG MET 28 15.204 8.768 -19.164 243 2HG MET 28 1HG MET 28 16.577 9.631 -19.857 244 1HE MET 28 1HE MET 28 16.392 10.483 -22.065 245 2HE MET 28 2HE MET 28 15.642 12.078 -22.053 246 3HE MET 28 3HE MET 28 14.889 10.765 -22.954 247 H HIS 29 H HIS 29 18.188 6.025 -19.122 248 HA HIS 29 HA HIS 29 16.316 3.839 -18.845 249 1HB HIS 29 3HB HIS 29 17.920 2.857 -17.424 250 2HB HIS 29 2HB HIS 29 18.849 3.743 -18.632 251 HD1 HIS 29 HD1 HIS 29 19.755 3.079 -15.609 252 HD2 HIS 29 HD2 HIS 29 18.388 6.743 -17.052 253 HE1 HIS 29 HE1 HIS 29 20.670 4.848 -14.047 254 H ASN 30 H ASN 30 16.239 3.294 -16.145 255 HA ASN 30 HA ASN 30 13.990 4.679 -15.250 256 1HB ASN 30 3HB ASN 30 14.876 3.928 -12.892 257 2HB ASN 30 2HB ASN 30 14.400 2.714 -14.078 258 1HD2 ASN 30 1HD2 ASN 30 16.973 3.715 -12.069 259 2HD2 ASN 30 2HD2 ASN 30 18.204 2.792 -12.784 260 H SER 31 H SER 31 17.188 5.148 -13.711 261 HA SER 31 HA SER 31 16.677 7.322 -12.152 262 1HB SER 31 3HB SER 31 18.907 7.381 -11.929 263 2HB SER 31 2HB SER 31 18.975 6.132 -13.163 264 HG SER 31 HG SER 31 20.224 8.054 -13.623 265 H ASN 32 H ASN 32 16.677 7.401 -15.669 266 HA ASN 32 HA ASN 32 16.528 10.351 -15.586 267 1HB ASN 32 3HB ASN 32 16.979 8.379 -17.768 268 2HB ASN 32 2HB ASN 32 16.617 10.060 -18.106 269 1HD2 ASN 32 1HD2 ASN 32 18.609 11.011 -18.657 270 2HD2 ASN 32 2HD2 ASN 32 20.032 10.845 -17.747 271 H ILE 33 H ILE 33 14.807 7.683 -17.223 272 HA ILE 33 HA ILE 33 12.572 9.152 -18.070 273 HB ILE 33 HB ILE 33 12.674 6.297 -17.073 274 1HG1 ILE 33 2HG1 ILE 33 14.139 7.101 -19.040 275 2HG1 ILE 33 1HG1 ILE 33 13.117 5.692 -19.318 276 1HG2 ILE 33 1HG2 ILE 33 10.374 6.850 -17.077 277 2HG2 ILE 33 2HG2 ILE 33 10.635 6.135 -18.669 278 3HG2 ILE 33 3HG2 ILE 33 10.538 7.888 -18.495 279 1HD1 ILE 33 1HD1 ILE 33 13.131 8.145 -20.756 280 2HD1 ILE 33 2HD1 ILE 33 11.601 8.066 -19.895 281 3HD1 ILE 33 3HD1 ILE 33 12.064 6.764 -20.989 282 H SER 34 H SER 34 13.319 7.823 -14.914 283 HA SER 34 HA SER 34 10.849 8.063 -13.604 284 1HB SER 34 3HB SER 34 13.692 8.173 -12.834 285 2HB SER 34 2HB SER 34 12.587 8.956 -11.708 286 HG SER 34 HG SER 34 13.059 6.508 -11.639 287 H LYS 35 H LYS 35 13.329 10.562 -14.151 288 HA LYS 35 HA LYS 35 11.887 12.634 -12.813 289 1HB LYS 35 3HB LYS 35 13.823 13.067 -15.092 290 2HB LYS 35 2HB LYS 35 13.500 14.132 -13.724 291 1HG LYS 35 2HG LYS 35 14.273 11.822 -12.458 292 2HG LYS 35 1HG LYS 35 15.286 11.797 -13.901 293 1HD LYS 35 2HD LYS 35 15.495 14.420 -13.164 294 2HD LYS 35 1HD LYS 35 15.348 13.636 -11.591 295 1HE LYS 35 2HE LYS 35 17.126 12.107 -13.268 296 2HE LYS 35 1HE LYS 35 17.657 13.787 -13.217 297 1HZ LYS 35 1HZ LYS 35 18.614 13.084 -11.316 298 2HZ LYS 35 2HZ LYS 35 17.504 11.820 -11.078 299 3HZ LYS 35 3HZ LYS 35 17.082 13.413 -10.668 300 H ILE 36 H ILE 36 11.820 11.210 -15.955 301 HA ILE 36 HA ILE 36 10.303 13.299 -17.212 302 HB ILE 36 HB ILE 36 11.017 10.509 -17.910 303 1HG1 ILE 36 2HG1 ILE 36 11.916 11.732 -19.942 304 2HG1 ILE 36 1HG1 ILE 36 11.454 13.233 -19.141 305 1HG2 ILE 36 1HG2 ILE 36 9.751 10.782 -20.052 306 2HG2 ILE 36 2HG2 ILE 36 9.023 12.244 -19.387 307 3HG2 ILE 36 3HG2 ILE 36 8.698 10.679 -18.642 308 1HD1 ILE 36 1HD1 ILE 36 13.273 11.161 -17.890 309 2HD1 ILE 36 2HD1 ILE 36 12.936 12.783 -17.288 310 3HD1 ILE 36 3HD1 ILE 36 13.860 12.569 -18.775 311 H LEU 37 H LEU 37 9.460 10.022 -16.192 312 HA LEU 37 HA LEU 37 6.651 10.206 -16.454 313 1HB LEU 37 3HB LEU 37 8.426 8.682 -14.557 314 2HB LEU 37 2HB LEU 37 6.682 8.486 -14.603 315 HG LEU 37 HG LEU 37 8.615 8.010 -16.879 316 1HD1 LEU 37 1HD1 LEU 37 8.543 5.851 -16.260 317 2HD1 LEU 37 2HD1 LEU 37 6.787 5.888 -16.094 318 3HD1 LEU 37 3HD1 LEU 37 7.813 6.407 -14.755 319 1HD2 LEU 37 1HD2 LEU 37 6.356 7.063 -17.880 320 2HD2 LEU 37 2HD2 LEU 37 6.720 8.782 -18.016 321 3HD2 LEU 37 3HD2 LEU 37 5.615 8.212 -16.765 322 H GLY 38 H GLY 38 8.573 10.437 -13.478 323 1HA GLY 38 2HA GLY 38 6.531 11.383 -11.772 324 2HA GLY 38 1HA GLY 38 8.252 11.666 -11.506 325 H SER 39 H SER 39 8.067 12.965 -14.376 326 HA SER 39 HA SER 39 7.316 15.612 -13.309 327 1HB SER 39 3HB SER 39 9.578 15.536 -14.231 328 2HB SER 39 2HB SER 39 8.968 14.845 -15.732 329 HG SER 39 HG SER 39 7.786 16.774 -16.040 330 H ARG 40 H ARG 40 6.408 13.097 -15.425 331 HA ARG 40 HA ARG 40 4.658 14.785 -17.063 332 1HB ARG 40 3HB ARG 40 5.646 12.023 -16.987 333 2HB ARG 40 2HB ARG 40 4.023 12.219 -17.609 334 1HG ARG 40 2HG ARG 40 5.865 14.231 -18.636 335 2HG ARG 40 1HG ARG 40 6.365 12.589 -19.034 336 1HD ARG 40 2HD ARG 40 3.940 12.199 -19.756 337 2HD ARG 40 1HD ARG 40 3.752 13.949 -19.672 338 HE ARG 40 HE ARG 40 6.037 13.475 -21.251 339 1HH1 ARG 40 1HH2 ARG 40 4.409 11.131 -22.191 340 2HH1 ARG 40 2HH2 ARG 40 3.509 11.821 -23.500 341 1HH2 ARG 40 1HH1 ARG 40 4.126 15.097 -22.544 342 2HH2 ARG 40 2HH1 ARG 40 3.349 14.068 -23.702 343 H TRP 41 H TRP 41 4.745 12.636 -14.377 344 HA TRP 41 HA TRP 41 1.954 12.207 -13.979 345 1HB TRP 41 3HB TRP 41 3.878 10.916 -12.989 346 2HB TRP 41 2HB TRP 41 4.152 12.288 -11.922 347 HD1 TRP 41 HD1 TRP 41 2.859 12.168 -9.728 348 HE1 TRP 41 HE1 TRP 41 0.711 10.959 -8.903 349 HE3 TRP 41 HE3 TRP 41 1.387 10.061 -14.061 350 HZ2 TRP 41 HZ2 TRP 41 -1.372 9.287 -10.029 351 HZ3 TRP 41 HZ3 TRP 41 -0.643 8.679 -14.185 352 HH2 TRP 41 HH2 TRP 41 -2.023 8.311 -12.244 353 H LYS 42 H LYS 42 4.247 14.270 -12.194 354 HA LYS 42 HA LYS 42 2.254 15.640 -10.703 355 1HB LYS 42 3HB LYS 42 5.107 16.259 -11.462 356 2HB LYS 42 2HB LYS 42 4.131 17.476 -10.638 357 1HG LYS 42 2HG LYS 42 3.577 15.330 -9.087 358 2HG LYS 42 1HG LYS 42 5.205 14.902 -9.616 359 1HD LYS 42 2HD LYS 42 6.145 16.874 -8.702 360 2HD LYS 42 1HD LYS 42 4.570 17.652 -8.549 361 1HE LYS 42 2HE LYS 42 4.132 16.641 -6.562 362 2HE LYS 42 1HE LYS 42 4.798 15.098 -7.097 363 1HZ LYS 42 1HZ LYS 42 6.972 15.807 -6.631 364 2HZ LYS 42 2HZ LYS 42 6.052 16.283 -5.283 365 3HZ LYS 42 3HZ LYS 42 6.505 17.428 -6.454 366 H ALA 43 H ALA 43 3.376 15.826 -13.932 367 HA ALA 43 HA ALA 43 2.368 18.464 -14.490 368 1HB ALA 43 1HB ALA 43 4.185 17.797 -15.846 369 2HB ALA 43 2HB ALA 43 2.784 17.639 -16.906 370 3HB ALA 43 3HB ALA 43 3.479 16.209 -16.143 371 H MET 44 H MET 44 0.765 15.799 -13.665 372 HA MET 44 HA MET 44 -1.284 15.856 -15.776 373 1HB MET 44 3HB MET 44 -0.919 14.152 -13.286 374 2HB MET 44 2HB MET 44 -2.255 13.978 -14.414 375 1HG MET 44 2HG MET 44 0.191 14.007 -15.898 376 2HG MET 44 1HG MET 44 0.330 12.830 -14.599 377 1HE MET 44 1HE MET 44 -3.194 11.951 -14.555 378 2HE MET 44 2HE MET 44 -1.617 11.695 -13.812 379 3HE MET 44 3HE MET 44 -2.312 10.445 -14.838 380 H THR 45 H THR 45 -3.074 15.096 -13.202 381 HA THR 45 HA THR 45 -3.426 17.887 -12.259 382 HB THR 45 HB THR 45 -6.012 17.002 -12.545 383 HG1 THR 45 HG1 THR 45 -4.877 16.489 -15.029 384 1HG2 THR 45 1HG2 THR 45 -5.208 19.239 -13.073 385 2HG2 THR 45 2HG2 THR 45 -6.027 18.584 -14.491 386 3HG2 THR 45 3HG2 THR 45 -4.265 18.612 -14.425 387 H ASN 46 H ASN 46 -2.795 14.892 -11.323 388 HA ASN 46 HA ASN 46 -2.973 13.812 -9.248 389 1HB ASN 46 3HB ASN 46 -2.884 16.311 -8.502 390 2HB ASN 46 2HB ASN 46 -4.610 16.102 -8.202 391 1HD2 ASN 46 1HD2 ASN 46 -2.395 16.444 -6.191 392 2HD2 ASN 46 2HD2 ASN 46 -2.481 15.076 -5.190 393 H LEU 47 H LEU 47 -6.018 15.525 -10.014 394 HA LEU 47 HA LEU 47 -7.603 13.351 -8.880 395 1HB LEU 47 3HB LEU 47 -8.047 16.038 -9.319 396 2HB LEU 47 2HB LEU 47 -9.005 15.279 -10.591 397 HG LEU 47 HG LEU 47 -10.312 15.558 -8.502 398 1HD1 LEU 47 1HD1 LEU 47 -11.304 13.437 -8.596 399 2HD1 LEU 47 2HD1 LEU 47 -9.758 12.616 -8.815 400 3HD1 LEU 47 3HD1 LEU 47 -10.468 13.531 -10.146 401 1HD2 LEU 47 1HD2 LEU 47 -7.867 14.527 -7.359 402 2HD2 LEU 47 2HD2 LEU 47 -9.217 13.488 -6.907 403 3HD2 LEU 47 3HD2 LEU 47 -9.269 15.210 -6.533 404 H GLU 48 H GLU 48 -6.261 14.066 -11.986 405 HA GLU 48 HA GLU 48 -8.262 12.665 -13.533 406 1HB GLU 48 3HB GLU 48 -6.377 14.408 -14.242 407 2HB GLU 48 2HB GLU 48 -5.506 12.917 -14.596 408 1HG GLU 48 2HG GLU 48 -6.631 13.313 -16.610 409 2HG GLU 48 1HG GLU 48 -7.734 12.214 -15.780 410 H LYS 49 H LYS 49 -5.920 11.526 -11.407 411 HA LYS 49 HA LYS 49 -5.173 9.133 -12.915 412 1HB LYS 49 3HB LYS 49 -4.921 9.137 -9.952 413 2HB LYS 49 2HB LYS 49 -3.767 8.641 -11.180 414 1HG LYS 49 2HG LYS 49 -4.425 11.461 -10.350 415 2HG LYS 49 1HG LYS 49 -2.900 10.622 -10.125 416 1HD LYS 49 2HD LYS 49 -2.363 10.744 -12.397 417 2HD LYS 49 1HD LYS 49 -4.036 10.975 -12.883 418 1HE LYS 49 2HE LYS 49 -3.075 13.062 -11.075 419 2HE LYS 49 1HE LYS 49 -2.166 12.985 -12.585 420 1HZ LYS 49 1HZ LYS 49 -4.468 14.262 -12.355 421 2HZ LYS 49 2HZ LYS 49 -5.030 12.730 -12.787 422 3HZ LYS 49 3HZ LYS 49 -3.953 13.548 -13.802 423 H GLN 50 H GLN 50 -8.101 9.899 -11.953 424 HA GLN 50 HA GLN 50 -9.050 7.974 -10.168 425 1HB GLN 50 3HB GLN 50 -10.630 8.641 -12.635 426 2HB GLN 50 2HB GLN 50 -11.189 8.428 -10.979 427 1HG GLN 50 2HG GLN 50 -9.518 10.511 -10.606 428 2HG GLN 50 1HG GLN 50 -10.000 10.820 -12.275 429 1HE2 GLN 50 1HE2 GLN 50 -12.191 11.464 -12.678 430 2HE2 GLN 50 2HE2 GLN 50 -13.299 11.775 -11.429 431 HA PRO 51 HA PRO 51 -9.494 4.893 -13.799 432 1HB PRO 51 3HB PRO 51 -8.104 5.438 -16.093 433 2HB PRO 51 2HB PRO 51 -9.769 5.938 -15.796 434 1HG PRO 51 2HG PRO 51 -7.299 7.591 -15.778 435 2HG PRO 51 1HG PRO 51 -8.968 8.077 -16.113 436 1HD PRO 51 2HD PRO 51 -7.570 8.481 -13.692 437 2HD PRO 51 1HD PRO 51 -9.316 8.682 -13.932 438 H TYR 52 H TYR 52 -6.263 6.458 -13.964 439 HA TYR 52 HA TYR 52 -4.844 3.963 -14.201 440 1HB TYR 52 3HB TYR 52 -3.612 6.321 -12.813 441 2HB TYR 52 2HB TYR 52 -2.895 5.223 -13.992 442 HD1 TYR 52 HD1 TYR 52 -4.852 5.214 -16.158 443 HD2 TYR 52 HD2 TYR 52 -3.453 8.475 -13.740 444 HE1 TYR 52 HE1 TYR 52 -5.411 6.799 -17.974 445 HE2 TYR 52 HE2 TYR 52 -4.009 10.063 -15.555 446 HH TYR 52 HH TYR 52 -5.917 9.171 -18.254 447 H TYR 53 H TYR 53 -6.572 5.450 -11.698 448 HA TYR 53 HA TYR 53 -5.024 4.264 -9.519 449 1HB TYR 53 3HB TYR 53 -7.360 6.037 -9.798 450 2HB TYR 53 2HB TYR 53 -7.477 4.907 -8.452 451 HD1 TYR 53 HD1 TYR 53 -6.709 5.739 -6.421 452 HD2 TYR 53 HD2 TYR 53 -4.768 6.974 -10.048 453 HE1 TYR 53 HE1 TYR 53 -5.151 7.150 -5.106 454 HE2 TYR 53 HE2 TYR 53 -3.213 8.384 -8.734 455 HH TYR 53 HH TYR 53 -3.591 9.528 -6.053 456 H GLU 54 H GLU 54 -7.833 3.514 -11.474 457 HA GLU 54 HA GLU 54 -8.801 1.338 -9.889 458 1HB GLU 54 3HB GLU 54 -9.216 2.265 -12.669 459 2HB GLU 54 2HB GLU 54 -9.815 0.680 -12.209 460 1HG GLU 54 2HG GLU 54 -10.449 2.718 -10.219 461 2HG GLU 54 1HG GLU 54 -11.119 3.112 -11.801 462 H GLU 55 H GLU 55 -6.887 1.337 -12.897 463 HA GLU 55 HA GLU 55 -6.439 -1.472 -12.907 464 1HB GLU 55 3HB GLU 55 -4.221 -0.672 -14.146 465 2HB GLU 55 2HB GLU 55 -5.794 -0.579 -14.932 466 1HG GLU 55 2HG GLU 55 -5.995 1.718 -14.533 467 2HG GLU 55 1HG GLU 55 -4.778 1.697 -13.260 468 H GLN 56 H GLN 56 -5.287 0.955 -10.837 469 HA GLN 56 HA GLN 56 -2.795 -0.381 -10.106 470 1HB GLN 56 3HB GLN 56 -2.505 1.787 -9.541 471 2HB GLN 56 2HB GLN 56 -4.217 2.080 -9.438 472 1HG GLN 56 2HG GLN 56 -3.017 2.382 -7.255 473 2HG GLN 56 1HG GLN 56 -4.287 1.163 -7.180 474 1HE2 GLN 56 1HE2 GLN 56 -1.304 0.416 -8.885 475 2HE2 GLN 56 2HE2 GLN 56 -0.689 -0.660 -7.726 476 H ALA 57 H ALA 57 -5.743 0.382 -8.343 477 HA ALA 57 HA ALA 57 -5.468 -1.268 -6.139 478 1HB ALA 57 1HB ALA 57 -8.099 -1.139 -7.603 479 2HB ALA 57 2HB ALA 57 -7.430 0.295 -6.826 480 3HB ALA 57 3HB ALA 57 -7.807 -1.135 -5.864 481 H ARG 58 H ARG 58 -6.107 -2.202 -9.456 482 HA ARG 58 HA ARG 58 -6.983 -4.899 -8.875 483 1HB ARG 58 3HB ARG 58 -6.091 -3.384 -11.279 484 2HB ARG 58 2HB ARG 58 -5.921 -5.138 -11.346 485 1HG ARG 58 2HG ARG 58 -8.466 -3.610 -10.724 486 2HG ARG 58 1HG ARG 58 -8.119 -4.499 -12.208 487 1HD ARG 58 2HD ARG 58 -7.670 -6.480 -10.477 488 2HD ARG 58 1HD ARG 58 -8.784 -5.536 -9.487 489 HE ARG 58 HE ARG 58 -10.473 -5.810 -11.262 490 1HH1 ARG 58 1HH1 ARG 58 -8.544 -8.386 -10.567 491 2HH1 ARG 58 2HH1 ARG 58 -8.772 -9.226 -12.064 492 1HH2 ARG 58 1HH2 ARG 58 -10.352 -6.562 -13.624 493 2HH2 ARG 58 2HH2 ARG 58 -9.796 -8.193 -13.796 494 H LEU 59 H LEU 59 -3.888 -3.407 -9.681 495 HA LEU 59 HA LEU 59 -2.269 -5.712 -9.757 496 1HB LEU 59 3HB LEU 59 -1.288 -3.199 -8.423 497 2HB LEU 59 2HB LEU 59 -0.436 -4.271 -9.529 498 HG LEU 59 HG LEU 59 -2.611 -2.277 -10.208 499 1HD1 LEU 59 1HD1 LEU 59 -0.955 -1.075 -11.236 500 2HD1 LEU 59 2HD1 LEU 59 -0.028 -2.512 -11.672 501 3HD1 LEU 59 3HD1 LEU 59 0.045 -1.878 -10.027 502 1HD2 LEU 59 1HD2 LEU 59 -1.961 -4.820 -11.451 503 2HD2 LEU 59 2HD2 LEU 59 -1.627 -3.486 -12.555 504 3HD2 LEU 59 3HD2 LEU 59 -3.238 -3.678 -11.865 505 H SER 60 H SER 60 -3.714 -4.050 -7.037 506 HA SER 60 HA SER 60 -2.055 -5.381 -5.039 507 1HB SER 60 3HB SER 60 -4.721 -3.961 -4.747 508 2HB SER 60 2HB SER 60 -3.670 -4.446 -3.420 509 HG SER 60 HG SER 60 -2.980 -2.679 -5.539 510 H LYS 61 H LYS 61 -5.045 -5.994 -6.719 511 HA LYS 61 HA LYS 61 -6.093 -8.026 -5.003 512 1HB LYS 61 3HB LYS 61 -7.417 -6.949 -6.777 513 2HB LYS 61 2HB LYS 61 -6.373 -7.674 -8.000 514 1HG LYS 61 2HG LYS 61 -8.463 -8.978 -7.686 515 2HG LYS 61 1HG LYS 61 -7.032 -9.921 -7.266 516 1HD LYS 61 2HD LYS 61 -7.406 -9.650 -4.936 517 2HD LYS 61 1HD LYS 61 -8.571 -8.351 -5.196 518 1HE LYS 61 2HE LYS 61 -9.075 -11.100 -6.317 519 2HE LYS 61 1HE LYS 61 -9.474 -10.731 -4.639 520 1HZ LYS 61 1HZ LYS 61 -10.441 -8.614 -6.100 521 2HZ LYS 61 2HZ LYS 61 -11.352 -9.866 -5.401 522 3HZ LYS 61 3HZ LYS 61 -10.842 -9.984 -7.018 523 H GLN 62 H GLN 62 -3.964 -8.195 -7.856 524 HA GLN 62 HA GLN 62 -3.654 -11.095 -7.574 525 1HB GLN 62 3HB GLN 62 -2.342 -9.021 -9.346 526 2HB GLN 62 2HB GLN 62 -1.875 -10.722 -9.369 527 1HG GLN 62 2HG GLN 62 -4.668 -10.769 -9.495 528 2HG GLN 62 1HG GLN 62 -4.203 -9.441 -10.557 529 1HE2 GLN 62 1HE2 GLN 62 -1.656 -10.499 -11.428 530 2HE2 GLN 62 2HE2 GLN 62 -1.963 -11.866 -12.386 531 H HIS 63 H HIS 63 -1.751 -8.198 -6.823 532 HA HIS 63 HA HIS 63 0.722 -9.269 -6.180 533 1HB HIS 63 3HB HIS 63 -0.190 -6.840 -5.910 534 2HB HIS 63 2HB HIS 63 -0.589 -7.349 -4.271 535 HD1 HIS 63 HD1 HIS 63 2.346 -9.161 -5.316 536 HD2 HIS 63 HD2 HIS 63 1.646 -5.338 -3.807 537 HE1 HIS 63 HE1 HIS 63 4.566 -8.318 -4.444 538 H LEU 64 H LEU 64 -2.048 -9.076 -3.929 539 HA LEU 64 HA LEU 64 -0.684 -10.682 -1.945 540 1HB LEU 64 3HB LEU 64 -3.531 -9.724 -2.288 541 2HB LEU 64 2HB LEU 64 -3.064 -10.778 -0.959 542 HG LEU 64 HG LEU 64 -3.037 -8.187 -0.607 543 1HD1 LEU 64 1HD1 LEU 64 -1.795 -8.650 1.235 544 2HD1 LEU 64 2HD1 LEU 64 -0.437 -9.244 0.279 545 3HD1 LEU 64 3HD1 LEU 64 -1.801 -10.305 0.626 546 1HD2 LEU 64 1HD2 LEU 64 -0.384 -8.647 -2.006 547 2HD2 LEU 64 2HD2 LEU 64 -0.831 -7.179 -1.136 548 3HD2 LEU 64 3HD2 LEU 64 -1.705 -7.639 -2.597 549 H GLU 65 H GLU 65 -2.908 -11.357 -4.583 550 HA GLU 65 HA GLU 65 -3.473 -14.045 -3.732 551 1HB GLU 65 3HB GLU 65 -3.788 -12.505 -6.286 552 2HB GLU 65 2HB GLU 65 -3.996 -14.256 -6.296 553 1HG GLU 65 2HG GLU 65 -5.470 -13.577 -4.101 554 2HG GLU 65 1HG GLU 65 -5.719 -12.162 -5.124 555 H LYS 66 H LYS 66 -0.714 -12.539 -4.854 556 HA LYS 66 HA LYS 66 0.354 -14.724 -6.438 557 1HB LYS 66 3HB LYS 66 1.370 -12.090 -5.460 558 2HB LYS 66 2HB LYS 66 2.523 -13.290 -6.037 559 1HG LYS 66 2HG LYS 66 0.387 -13.258 -7.902 560 2HG LYS 66 1HG LYS 66 0.804 -11.575 -7.579 561 1HD LYS 66 2HD LYS 66 3.271 -12.393 -7.855 562 2HD LYS 66 1HD LYS 66 2.541 -13.770 -8.681 563 1HE LYS 66 2HE LYS 66 3.015 -12.160 -10.386 564 2HE LYS 66 1HE LYS 66 1.274 -12.076 -10.109 565 1HZ LYS 66 1HZ LYS 66 3.079 -10.328 -8.580 566 2HZ LYS 66 2HZ LYS 66 1.451 -10.088 -9.004 567 3HZ LYS 66 3HZ LYS 66 2.669 -9.914 -10.174 568 H TYR 67 H TYR 67 1.511 -13.320 -3.319 569 HA TYR 67 HA TYR 67 2.497 -16.093 -2.782 570 1HB TYR 67 3HB TYR 67 4.268 -14.974 -1.340 571 2HB TYR 67 2HB TYR 67 4.419 -14.819 -3.086 572 HD1 TYR 67 HD1 TYR 67 3.412 -12.687 -4.177 573 HD2 TYR 67 HD2 TYR 67 4.223 -13.078 0.022 574 HE1 TYR 67 HE1 TYR 67 3.400 -10.217 -3.944 575 HE2 TYR 67 HE2 TYR 67 4.210 -10.610 0.256 576 HH TYR 67 HH TYR 67 4.113 -8.663 -0.819 577 HA PRO 68 HA PRO 68 1.111 -14.605 1.541 578 1HB PRO 68 3HB PRO 68 -0.894 -12.744 1.618 579 2HB PRO 68 2HB PRO 68 0.817 -12.339 1.714 580 1HG PRO 68 2HG PRO 68 -1.044 -12.029 -0.585 581 2HG PRO 68 1HG PRO 68 0.379 -11.063 -0.158 582 1HD PRO 68 2HD PRO 68 0.309 -13.035 -2.147 583 2HD PRO 68 1HD PRO 68 1.776 -12.386 -1.403 584 H ASP 69 H ASP 69 -1.525 -13.979 -0.712 585 HA ASP 69 HA ASP 69 -3.413 -15.631 0.688 586 1HB ASP 69 3HB ASP 69 -3.375 -14.118 -1.862 587 2HB ASP 69 2HB ASP 69 -4.509 -15.465 -1.776 588 H TYR 70 H TYR 70 -1.336 -17.303 0.520 589 HA TYR 70 HA TYR 70 -1.101 -18.882 -1.820 590 1HB TYR 70 3HB TYR 70 -0.070 -18.899 0.845 591 2HB TYR 70 2HB TYR 70 -0.670 -20.516 0.477 592 HD1 TYR 70 HD1 TYR 70 2.276 -19.076 0.650 593 HD2 TYR 70 HD2 TYR 70 -0.245 -20.659 -2.448 594 HE1 TYR 70 HE1 TYR 70 4.273 -19.495 -0.761 595 HE2 TYR 70 HE2 TYR 70 1.752 -21.078 -3.858 596 HH TYR 70 HH TYR 70 4.267 -19.887 -3.880 Start of MODEL 24 1 HA PRO 1 HA PRO 1 7.645 -6.380 -16.736 2 1HB PRO 1 3HB PRO 1 9.680 -8.190 -17.634 3 2HB PRO 1 2HB PRO 1 8.016 -8.050 -18.215 4 1HG PRO 1 2HG PRO 1 10.423 -7.247 -19.548 5 2HG PRO 1 1HG PRO 1 8.756 -7.115 -20.129 6 1HD PRO 1 2HD PRO 1 10.477 -5.008 -19.242 7 2HD PRO 1 1HD PRO 1 8.806 -4.885 -19.801 8 H HIS 2 H HIS 2 11.209 -6.082 -16.809 9 HA HIS 2 HA HIS 2 11.407 -7.331 -14.151 10 1HB HIS 2 3HB HIS 2 13.162 -6.906 -16.365 11 2HB HIS 2 2HB HIS 2 13.867 -6.116 -14.954 12 HD1 HIS 2 HD1 HIS 2 15.663 -8.155 -15.136 13 HD2 HIS 2 HD2 HIS 2 11.800 -9.201 -13.968 14 HE1 HIS 2 HE1 HIS 2 15.829 -10.457 -14.091 15 H ILE 3 H ILE 3 9.850 -5.185 -13.750 16 HA ILE 3 HA ILE 3 11.687 -3.061 -12.725 17 HB ILE 3 HB ILE 3 8.725 -2.674 -13.062 18 1HG1 ILE 3 2HG1 ILE 3 10.725 -2.104 -15.252 19 2HG1 ILE 3 1HG1 ILE 3 9.847 -3.627 -15.183 20 1HG2 ILE 3 1HG2 ILE 3 10.152 -0.407 -13.823 21 2HG2 ILE 3 2HG2 ILE 3 11.107 -1.073 -12.498 22 3HG2 ILE 3 3HG2 ILE 3 9.406 -0.677 -12.248 23 1HD1 ILE 3 1HD1 ILE 3 8.718 -1.921 -16.622 24 2HD1 ILE 3 2HD1 ILE 3 8.526 -0.900 -15.197 25 3HD1 ILE 3 3HD1 ILE 3 7.713 -2.462 -15.278 26 H LYS 4 H LYS 4 11.937 -3.093 -10.574 27 HA LYS 4 HA LYS 4 10.008 -4.587 -8.907 28 1HB LYS 4 3HB LYS 4 12.809 -4.022 -8.772 29 2HB LYS 4 2HB LYS 4 12.047 -3.345 -7.334 30 1HG LYS 4 2HG LYS 4 11.706 -6.191 -8.327 31 2HG LYS 4 1HG LYS 4 12.704 -5.696 -6.958 32 1HD LYS 4 2HD LYS 4 9.817 -4.885 -7.012 33 2HD LYS 4 1HD LYS 4 10.231 -6.539 -6.558 34 1HE LYS 4 2HE LYS 4 12.035 -4.819 -5.187 35 2HE LYS 4 1HE LYS 4 10.416 -4.156 -4.968 36 1HZ LYS 4 1HZ LYS 4 10.442 -6.995 -4.722 37 2HZ LYS 4 2HZ LYS 4 9.865 -5.823 -3.635 38 3HZ LYS 4 3HZ LYS 4 11.504 -6.271 -3.615 39 H ARG 5 H ARG 5 8.859 -2.316 -9.973 40 HA ARG 5 HA ARG 5 8.956 -0.256 -7.832 41 1HB ARG 5 3HB ARG 5 7.785 -0.351 -10.612 42 2HB ARG 5 2HB ARG 5 7.282 0.888 -9.461 43 1HG ARG 5 2HG ARG 5 10.115 0.351 -10.403 44 2HG ARG 5 1HG ARG 5 9.122 1.754 -10.805 45 1HD ARG 5 2HD ARG 5 9.077 1.615 -8.003 46 2HD ARG 5 1HD ARG 5 10.751 1.284 -8.449 47 HE ARG 5 HE ARG 5 9.260 3.773 -9.142 48 1HH1 ARG 5 1HH1 ARG 5 11.628 3.667 -7.249 49 2HH1 ARG 5 2HH1 ARG 5 12.912 4.216 -8.275 50 1HH2 ARG 5 1HH2 ARG 5 11.131 3.721 -11.209 51 2HH2 ARG 5 2HH2 ARG 5 12.629 4.247 -10.517 52 HA PRO 6 HA PRO 6 5.233 -1.661 -6.025 53 1HB PRO 6 3HB PRO 6 4.147 0.716 -5.177 54 2HB PRO 6 2HB PRO 6 5.534 -0.060 -4.391 55 1HG PRO 6 2HG PRO 6 5.480 2.317 -6.197 56 2HG PRO 6 1HG PRO 6 6.622 1.915 -4.902 57 1HD PRO 6 2HD PRO 6 7.111 1.577 -7.651 58 2HD PRO 6 1HD PRO 6 8.011 0.815 -6.332 59 H MET 7 H MET 7 2.839 -0.393 -5.867 60 HA MET 7 HA MET 7 1.882 -0.287 -8.645 61 1HB MET 7 3HB MET 7 -0.129 -0.651 -6.586 62 2HB MET 7 2HB MET 7 0.122 -1.547 -8.065 63 1HG MET 7 2HG MET 7 1.671 -3.010 -7.075 64 2HG MET 7 1HG MET 7 1.930 -1.945 -5.698 65 1HE MET 7 1HE MET 7 -1.114 -1.700 -3.877 66 2HE MET 7 2HE MET 7 0.564 -1.265 -4.195 67 3HE MET 7 3HE MET 7 0.200 -2.646 -3.164 68 H ASN 8 H ASN 8 0.814 1.510 -9.226 69 HA ASN 8 HA ASN 8 -0.539 3.229 -7.445 70 1HB ASN 8 3HB ASN 8 1.590 3.851 -6.579 71 2HB ASN 8 2HB ASN 8 2.194 4.133 -8.193 72 1HD2 ASN 8 1HD2 ASN 8 0.250 5.469 -5.603 73 2HD2 ASN 8 2HD2 ASN 8 -0.035 6.977 -6.329 74 H ALA 9 H ALA 9 -1.343 5.106 -8.583 75 HA ALA 9 HA ALA 9 -2.023 4.487 -11.282 76 1HB ALA 9 1HB ALA 9 -2.216 7.079 -9.725 77 2HB ALA 9 2HB ALA 9 -3.507 5.916 -10.027 78 3HB ALA 9 3HB ALA 9 -2.861 6.880 -11.355 79 H PHE 10 H PHE 10 0.479 6.417 -9.855 80 HA PHE 10 HA PHE 10 1.347 7.650 -12.273 81 1HB PHE 10 3HB PHE 10 1.930 8.647 -10.248 82 2HB PHE 10 2HB PHE 10 2.568 7.152 -9.594 83 HD1 PHE 10 HD1 PHE 10 3.096 9.367 -12.578 84 HD2 PHE 10 HD2 PHE 10 4.881 6.935 -9.522 85 HE1 PHE 10 HE1 PHE 10 5.346 9.968 -13.408 86 HE2 PHE 10 HE2 PHE 10 7.136 7.536 -10.358 87 HZ PHE 10 HZ PHE 10 7.370 9.054 -12.306 88 H MET 11 H MET 11 2.949 5.125 -10.342 89 HA MET 11 HA MET 11 4.774 4.400 -12.408 90 1HB MET 11 3HB MET 11 3.667 2.519 -10.301 91 2HB MET 11 2HB MET 11 5.231 2.421 -11.108 92 1HG MET 11 2HG MET 11 4.374 4.681 -9.276 93 2HG MET 11 1HG MET 11 5.409 3.340 -8.804 94 1HE MET 11 1HE MET 11 8.375 3.670 -11.287 95 2HE MET 11 2HE MET 11 6.830 3.129 -11.938 96 3HE MET 11 3HE MET 11 7.345 2.586 -10.344 97 H VAL 12 H VAL 12 1.425 3.872 -11.907 98 HA VAL 12 HA VAL 12 1.294 1.543 -13.664 99 HB VAL 12 HB VAL 12 -0.721 3.277 -12.253 100 1HG1 VAL 12 1HG1 VAL 12 -1.199 1.440 -14.575 101 2HG1 VAL 12 2HG1 VAL 12 -1.895 3.027 -14.246 102 3HG1 VAL 12 3HG1 VAL 12 -2.426 1.623 -13.322 103 1HG2 VAL 12 1HG2 VAL 12 -0.576 1.577 -10.768 104 2HG2 VAL 12 2HG2 VAL 12 0.547 0.731 -11.828 105 3HG2 VAL 12 3HG2 VAL 12 -1.189 0.491 -12.001 106 H TRP 13 H TRP 13 0.434 4.957 -13.767 107 HA TRP 13 HA TRP 13 -0.321 4.754 -16.607 108 1HB TRP 13 3HB TRP 13 -1.522 6.473 -15.730 109 2HB TRP 13 2HB TRP 13 -0.354 6.763 -14.458 110 HD1 TRP 13 HD1 TRP 13 -1.642 8.155 -17.547 111 HE1 TRP 13 HE1 TRP 13 -0.204 10.129 -18.294 112 HE3 TRP 13 HE3 TRP 13 2.448 7.552 -14.543 113 HZ2 TRP 13 HZ2 TRP 13 2.337 11.300 -17.779 114 HZ3 TRP 13 HZ3 TRP 13 4.359 9.096 -14.709 115 HH2 TRP 13 HH2 TRP 13 4.307 10.976 -16.310 116 H ALA 14 H ALA 14 2.437 5.699 -14.726 117 HA ALA 14 HA ALA 14 3.927 6.887 -16.874 118 1HB ALA 14 1HB ALA 14 5.363 5.723 -14.564 119 2HB ALA 14 2HB ALA 14 4.147 6.944 -14.198 120 3HB ALA 14 3HB ALA 14 5.479 7.331 -15.274 121 H LYS 15 H LYS 15 3.273 3.634 -15.955 122 HA LYS 15 HA LYS 15 5.648 2.410 -16.946 123 1HB LYS 15 3HB LYS 15 4.402 0.335 -16.920 124 2HB LYS 15 2HB LYS 15 3.918 1.263 -15.502 125 1HG LYS 15 2HG LYS 15 1.807 0.837 -16.249 126 2HG LYS 15 1HG LYS 15 2.128 2.181 -17.343 127 1HD LYS 15 2HD LYS 15 2.287 0.826 -19.161 128 2HD LYS 15 1HD LYS 15 3.162 -0.421 -18.269 129 1HE LYS 15 2HE LYS 15 1.273 -1.601 -17.922 130 2HE LYS 15 1HE LYS 15 0.432 -0.177 -17.309 131 1HZ LYS 15 1HZ LYS 15 -0.456 0.276 -19.311 132 2HZ LYS 15 2HZ LYS 15 -0.219 -1.386 -19.573 133 3HZ LYS 15 3HZ LYS 15 0.902 -0.260 -20.176 134 H ASP 16 H ASP 16 2.690 3.561 -18.432 135 HA ASP 16 HA ASP 16 3.533 2.476 -21.043 136 1HB ASP 16 3HB ASP 16 1.029 2.868 -19.976 137 2HB ASP 16 2HB ASP 16 1.221 4.311 -20.972 138 H GLU 17 H GLU 17 3.343 5.409 -19.216 139 HA GLU 17 HA GLU 17 3.959 7.220 -21.376 140 1HB GLU 17 3HB GLU 17 3.505 7.288 -18.540 141 2HB GLU 17 2HB GLU 17 4.948 8.219 -18.913 142 1HG GLU 17 2HG GLU 17 2.911 8.728 -20.881 143 2HG GLU 17 1HG GLU 17 2.246 8.959 -19.270 144 H ARG 18 H ARG 18 5.724 5.159 -19.203 145 HA ARG 18 HA ARG 18 8.394 6.119 -19.693 146 1HB ARG 18 3HB ARG 18 7.076 3.767 -18.466 147 2HB ARG 18 2HB ARG 18 8.630 3.414 -19.216 148 1HG ARG 18 2HG ARG 18 8.742 5.864 -17.664 149 2HG ARG 18 1HG ARG 18 8.210 4.490 -16.692 150 1HD ARG 18 2HD ARG 18 10.561 4.197 -18.538 151 2HD ARG 18 1HD ARG 18 10.772 4.913 -16.942 152 HE ARG 18 HE ARG 18 9.622 2.716 -16.124 153 1HH1 ARG 18 1HH2 ARG 18 12.533 3.041 -17.593 154 2HH1 ARG 18 2HH2 ARG 18 12.665 1.412 -18.169 155 1HH2 ARG 18 1HH1 ARG 18 9.374 0.604 -17.439 156 2HH2 ARG 18 2HH1 ARG 18 10.877 0.033 -18.083 157 H ARG 19 H ARG 19 6.323 3.589 -20.958 158 HA ARG 19 HA ARG 19 8.139 2.664 -22.951 159 1HB ARG 19 3HB ARG 19 6.596 1.026 -23.064 160 2HB ARG 19 2HB ARG 19 5.723 1.861 -21.805 161 1HG ARG 19 2HG ARG 19 4.028 1.889 -23.281 162 2HG ARG 19 1HG ARG 19 4.873 3.224 -24.034 163 1HD ARG 19 2HD ARG 19 6.198 1.242 -25.237 164 2HD ARG 19 1HD ARG 19 4.702 0.371 -24.899 165 HE ARG 19 HE ARG 19 3.650 2.520 -26.064 166 1HH1 ARG 19 1HH2 ARG 19 6.875 2.383 -26.731 167 2HH1 ARG 19 2HH2 ARG 19 6.721 2.125 -28.437 168 1HH2 ARG 19 1HH1 ARG 19 3.309 1.528 -28.313 169 2HH2 ARG 19 2HH1 ARG 19 4.706 1.642 -29.332 170 H LYS 20 H LYS 20 5.523 4.998 -22.807 171 HA LYS 20 HA LYS 20 5.513 5.590 -25.607 172 1HB LYS 20 3HB LYS 20 4.493 7.024 -23.168 173 2HB LYS 20 2HB LYS 20 4.407 7.776 -24.761 174 1HG LYS 20 2HG LYS 20 3.294 5.601 -25.545 175 2HG LYS 20 1HG LYS 20 3.097 5.219 -23.834 176 1HD LYS 20 2HD LYS 20 1.235 6.479 -23.830 177 2HD LYS 20 1HD LYS 20 2.253 7.891 -24.114 178 1HE LYS 20 2HE LYS 20 1.147 8.111 -26.075 179 2HE LYS 20 1HE LYS 20 2.085 6.722 -26.624 180 1HZ LYS 20 1HZ LYS 20 -0.647 6.759 -25.495 181 2HZ LYS 20 2HZ LYS 20 0.278 5.334 -25.548 182 3HZ LYS 20 3HZ LYS 20 -0.131 6.140 -26.987 183 H ILE 21 H ILE 21 7.508 6.527 -22.966 184 HA ILE 21 HA ILE 21 8.696 8.715 -24.561 185 HB ILE 21 HB ILE 21 8.322 8.224 -21.741 186 1HG1 ILE 21 2HG1 ILE 21 9.185 10.677 -21.744 187 2HG1 ILE 21 1HG1 ILE 21 9.173 10.507 -23.501 188 1HG2 ILE 21 1HG2 ILE 21 10.493 8.825 -20.874 189 2HG2 ILE 21 2HG2 ILE 21 11.150 8.980 -22.504 190 3HG2 ILE 21 3HG2 ILE 21 10.680 7.396 -21.890 191 1HD1 ILE 21 1HD1 ILE 21 6.761 9.639 -21.952 192 2HD1 ILE 21 2HD1 ILE 21 6.865 10.259 -23.599 193 3HD1 ILE 21 3HD1 ILE 21 7.014 11.361 -22.231 194 H LEU 22 H LEU 22 9.589 5.729 -22.933 195 HA LEU 22 HA LEU 22 12.304 5.568 -23.529 196 1HB LEU 22 3HB LEU 22 10.765 3.932 -22.312 197 2HB LEU 22 2HB LEU 22 10.392 3.275 -23.900 198 HG LEU 22 HG LEU 22 12.854 3.022 -24.289 199 1HD1 LEU 22 1HD1 LEU 22 13.865 4.492 -22.742 200 2HD1 LEU 22 2HD1 LEU 22 14.144 2.901 -22.035 201 3HD1 LEU 22 3HD1 LEU 22 12.851 3.928 -21.413 202 1HD2 LEU 22 1HD2 LEU 22 12.764 1.286 -22.110 203 2HD2 LEU 22 2HD2 LEU 22 12.237 0.945 -23.760 204 3HD2 LEU 22 3HD2 LEU 22 11.079 1.537 -22.566 205 H GLN 23 H GLN 23 9.527 5.153 -25.578 206 HA GLN 23 HA GLN 23 10.843 3.980 -27.821 207 1HB GLN 23 3HB GLN 23 8.913 4.651 -29.078 208 2HB GLN 23 2HB GLN 23 8.346 4.165 -27.487 209 1HG GLN 23 2HG GLN 23 8.403 6.512 -26.777 210 2HG GLN 23 1HG GLN 23 8.907 6.983 -28.393 211 1HE2 GLN 23 1HE2 GLN 23 7.146 4.895 -29.667 212 2HE2 GLN 23 2HE2 GLN 23 5.566 5.503 -29.546 213 H ALA 24 H ALA 24 10.248 7.121 -26.665 214 HA ALA 24 HA ALA 24 11.610 8.473 -28.866 215 1HB ALA 24 1HB ALA 24 10.450 9.537 -26.280 216 2HB ALA 24 2HB ALA 24 9.635 9.518 -27.844 217 3HB ALA 24 3HB ALA 24 11.057 10.532 -27.604 218 H PHE 25 H PHE 25 12.446 7.042 -25.893 219 HA PHE 25 HA PHE 25 15.194 7.961 -26.148 220 1HB PHE 25 3HB PHE 25 13.827 8.535 -23.516 221 2HB PHE 25 2HB PHE 25 15.387 9.121 -24.089 222 HD1 PHE 25 HD1 PHE 25 11.724 9.464 -24.411 223 HD2 PHE 25 HD2 PHE 25 15.551 10.995 -25.616 224 HE1 PHE 25 HE1 PHE 25 10.622 11.474 -25.356 225 HE2 PHE 25 HE2 PHE 25 14.448 13.007 -26.561 226 HZ PHE 25 HZ PHE 25 11.983 13.245 -26.431 227 HA PRO 26 HA PRO 26 14.493 3.712 -24.438 228 1HB PRO 26 3HB PRO 26 16.117 2.501 -26.293 229 2HB PRO 26 2HB PRO 26 14.378 2.748 -26.515 230 1HG PRO 26 2HG PRO 26 16.659 4.282 -27.709 231 2HG PRO 26 1HG PRO 26 15.063 3.930 -28.396 232 1HD PRO 26 2HD PRO 26 15.766 6.383 -27.270 233 2HD PRO 26 1HD PRO 26 14.102 5.798 -27.434 234 H ASP 27 H ASP 27 16.988 5.907 -24.897 235 HA ASP 27 HA ASP 27 19.087 4.289 -23.605 236 1HB ASP 27 3HB ASP 27 20.440 6.308 -23.890 237 2HB ASP 27 2HB ASP 27 19.636 5.941 -25.407 238 H MET 28 H MET 28 17.003 7.033 -23.122 239 HA MET 28 HA MET 28 17.730 7.663 -20.434 240 1HB MET 28 3HB MET 28 16.061 8.805 -22.254 241 2HB MET 28 2HB MET 28 14.923 8.043 -21.148 242 1HG MET 28 2HG MET 28 15.712 9.222 -19.295 243 2HG MET 28 1HG MET 28 17.233 9.628 -20.082 244 1HE MET 28 1HE MET 28 15.598 10.769 -23.184 245 2HE MET 28 2HE MET 28 17.140 10.438 -22.398 246 3HE MET 28 3HE MET 28 16.618 12.106 -22.636 247 H HIS 29 H HIS 29 17.920 5.699 -19.402 248 HA HIS 29 HA HIS 29 15.741 3.798 -19.417 249 1HB HIS 29 3HB HIS 29 17.131 2.438 -18.051 250 2HB HIS 29 2HB HIS 29 18.184 3.237 -19.215 251 HD1 HIS 29 HD1 HIS 29 19.058 2.205 -16.316 252 HD2 HIS 29 HD2 HIS 29 18.201 6.147 -17.364 253 HE1 HIS 29 HE1 HIS 29 20.276 3.668 -14.648 254 H ASN 30 H ASN 30 15.531 2.900 -16.854 255 HA ASN 30 HA ASN 30 13.478 4.451 -15.753 256 1HB ASN 30 3HB ASN 30 14.076 2.039 -15.232 257 2HB ASN 30 2HB ASN 30 15.298 2.671 -14.127 258 1HD2 ASN 30 1HD2 ASN 30 13.967 1.618 -12.370 259 2HD2 ASN 30 2HD2 ASN 30 12.603 2.434 -11.777 260 H SER 31 H SER 31 16.692 4.119 -14.190 261 HA SER 31 HA SER 31 16.502 5.985 -12.218 262 1HB SER 31 3HB SER 31 18.725 5.725 -12.062 263 2HB SER 31 2HB SER 31 18.619 4.734 -13.510 264 HG SER 31 HG SER 31 19.513 6.292 -14.604 265 H ASN 32 H ASN 32 16.569 6.746 -15.649 266 HA ASN 32 HA ASN 32 16.645 9.637 -14.948 267 1HB ASN 32 3HB ASN 32 17.806 8.140 -17.052 268 2HB ASN 32 2HB ASN 32 16.650 9.266 -17.746 269 1HD2 ASN 32 1HD2 ASN 32 19.808 9.015 -16.406 270 2HD2 ASN 32 2HD2 ASN 32 20.133 10.677 -16.291 271 H ILE 33 H ILE 33 14.798 7.315 -16.921 272 HA ILE 33 HA ILE 33 12.792 9.060 -17.848 273 HB ILE 33 HB ILE 33 12.563 6.175 -16.957 274 1HG1 ILE 33 2HG1 ILE 33 14.091 6.959 -18.916 275 2HG1 ILE 33 1HG1 ILE 33 12.980 5.621 -19.210 276 1HG2 ILE 33 1HG2 ILE 33 10.555 6.467 -18.722 277 2HG2 ILE 33 2HG2 ILE 33 10.572 8.102 -18.063 278 3HG2 ILE 33 3HG2 ILE 33 10.322 6.723 -16.994 279 1HD1 ILE 33 1HD1 ILE 33 11.340 7.203 -20.161 280 2HD1 ILE 33 2HD1 ILE 33 12.862 7.255 -21.049 281 3HD1 ILE 33 3HD1 ILE 33 12.468 8.531 -19.896 282 H SER 34 H SER 34 13.380 7.811 -14.668 283 HA SER 34 HA SER 34 10.887 8.102 -13.412 284 1HB SER 34 3HB SER 34 13.680 8.054 -12.624 285 2HB SER 34 2HB SER 34 12.746 9.151 -11.612 286 HG SER 34 HG SER 34 12.710 6.976 -10.847 287 H LYS 35 H LYS 35 13.381 10.585 -13.994 288 HA LYS 35 HA LYS 35 11.879 12.694 -12.776 289 1HB LYS 35 3HB LYS 35 13.981 12.916 -14.954 290 2HB LYS 35 2HB LYS 35 13.474 14.196 -13.853 291 1HG LYS 35 2HG LYS 35 14.614 11.584 -12.848 292 2HG LYS 35 1HG LYS 35 15.642 12.961 -13.247 293 1HD LYS 35 2HD LYS 35 13.802 14.211 -11.713 294 2HD LYS 35 1HD LYS 35 13.746 12.605 -10.985 295 1HE LYS 35 2HE LYS 35 15.433 13.929 -9.832 296 2HE LYS 35 1HE LYS 35 16.240 12.672 -10.769 297 1HZ LYS 35 1HZ LYS 35 17.427 14.350 -11.598 298 2HZ LYS 35 2HZ LYS 35 16.323 15.532 -11.074 299 3HZ LYS 35 3HZ LYS 35 16.056 14.703 -12.532 300 H ILE 36 H ILE 36 11.949 11.151 -15.856 301 HA ILE 36 HA ILE 36 10.465 13.149 -17.280 302 HB ILE 36 HB ILE 36 11.113 10.295 -17.787 303 1HG1 ILE 36 2HG1 ILE 36 12.077 11.581 -19.893 304 2HG1 ILE 36 1HG1 ILE 36 11.983 12.964 -18.800 305 1HG2 ILE 36 1HG2 ILE 36 9.172 10.188 -18.983 306 2HG2 ILE 36 2HG2 ILE 36 10.098 11.103 -20.172 307 3HG2 ILE 36 3HG2 ILE 36 9.017 11.944 -19.061 308 1HD1 ILE 36 1HD1 ILE 36 13.921 12.292 -17.876 309 2HD1 ILE 36 2HD1 ILE 36 13.911 10.813 -18.837 310 3HD1 ILE 36 3HD1 ILE 36 13.084 10.859 -17.282 311 H LEU 37 H LEU 37 9.574 9.930 -16.137 312 HA LEU 37 HA LEU 37 6.781 10.092 -16.510 313 1HB LEU 37 3HB LEU 37 8.520 8.682 -14.501 314 2HB LEU 37 2HB LEU 37 6.769 8.529 -14.483 315 HG LEU 37 HG LEU 37 8.675 7.740 -16.683 316 1HD1 LEU 37 1HD1 LEU 37 7.115 6.452 -14.564 317 2HD1 LEU 37 2HD1 LEU 37 8.511 5.852 -15.459 318 3HD1 LEU 37 3HD1 LEU 37 6.894 5.713 -16.148 319 1HD2 LEU 37 1HD2 LEU 37 5.793 8.462 -16.780 320 2HD2 LEU 37 2HD2 LEU 37 6.222 6.941 -17.562 321 3HD2 LEU 37 3HD2 LEU 37 6.990 8.443 -18.074 322 H GLY 38 H GLY 38 8.540 10.433 -13.452 323 1HA GLY 38 2HA GLY 38 6.430 11.456 -11.891 324 2HA GLY 38 1HA GLY 38 8.137 11.726 -11.540 325 H SER 39 H SER 39 8.097 12.988 -14.439 326 HA SER 39 HA SER 39 7.305 15.648 -13.433 327 1HB SER 39 3HB SER 39 9.618 15.559 -14.217 328 2HB SER 39 2HB SER 39 9.098 14.852 -15.744 329 HG SER 39 HG SER 39 8.497 17.434 -14.723 330 H ARG 40 H ARG 40 6.471 13.093 -15.491 331 HA ARG 40 HA ARG 40 4.855 14.758 -17.280 332 1HB ARG 40 3HB ARG 40 5.670 11.917 -17.050 333 2HB ARG 40 2HB ARG 40 4.265 12.313 -18.014 334 1HG ARG 40 2HG ARG 40 6.437 14.150 -18.547 335 2HG ARG 40 1HG ARG 40 6.955 12.483 -18.802 336 1HD ARG 40 2HD ARG 40 5.352 12.098 -20.437 337 2HD ARG 40 1HD ARG 40 4.328 13.428 -19.907 338 HE ARG 40 HE ARG 40 6.594 13.638 -21.738 339 1HH1 ARG 40 1HH1 ARG 40 4.024 15.238 -21.862 340 2HH1 ARG 40 2HH1 ARG 40 4.574 16.813 -21.397 341 1HH2 ARG 40 1HH2 ARG 40 7.570 15.674 -20.079 342 2HH2 ARG 40 2HH2 ARG 40 6.579 17.060 -20.391 343 H TRP 41 H TRP 41 4.752 12.686 -14.536 344 HA TRP 41 HA TRP 41 1.927 12.312 -14.288 345 1HB TRP 41 3HB TRP 41 3.783 11.023 -13.162 346 2HB TRP 41 2HB TRP 41 4.018 12.416 -12.120 347 HD1 TRP 41 HD1 TRP 41 2.613 12.410 -9.996 348 HE1 TRP 41 HE1 TRP 41 0.465 11.179 -9.193 349 HE3 TRP 41 HE3 TRP 41 1.348 10.038 -14.277 350 HZ2 TRP 41 HZ2 TRP 41 -1.532 9.402 -10.303 351 HZ3 TRP 41 HZ3 TRP 41 -0.642 8.602 -14.391 352 HH2 TRP 41 HH2 TRP 41 -2.079 8.279 -12.481 353 H LYS 42 H LYS 42 4.166 14.392 -12.436 354 HA LYS 42 HA LYS 42 2.138 15.861 -11.107 355 1HB LYS 42 3HB LYS 42 5.029 16.156 -11.603 356 2HB LYS 42 2HB LYS 42 4.183 17.696 -11.449 357 1HG LYS 42 2HG LYS 42 3.058 16.475 -9.375 358 2HG LYS 42 1HG LYS 42 4.538 15.518 -9.436 359 1HD LYS 42 2HD LYS 42 5.913 17.488 -9.223 360 2HD LYS 42 1HD LYS 42 4.514 18.546 -9.419 361 1HE LYS 42 2HE LYS 42 3.940 16.748 -7.283 362 2HE LYS 42 1HE LYS 42 5.551 17.412 -7.004 363 1HZ LYS 42 1HZ LYS 42 3.216 19.094 -7.714 364 2HZ LYS 42 2HZ LYS 42 4.724 19.601 -7.118 365 3HZ LYS 42 3HZ LYS 42 3.649 18.756 -6.109 366 H ALA 43 H ALA 43 3.297 15.831 -14.315 367 HA ALA 43 HA ALA 43 2.275 18.443 -15.007 368 1HB ALA 43 1HB ALA 43 3.556 16.235 -16.617 369 2HB ALA 43 2HB ALA 43 4.327 17.718 -16.054 370 3HB ALA 43 3HB ALA 43 3.076 17.789 -17.295 371 H MET 44 H MET 44 0.636 15.726 -14.330 372 HA MET 44 HA MET 44 -1.025 15.681 -16.748 373 1HB MET 44 3HB MET 44 -2.153 13.797 -15.729 374 2HB MET 44 2HB MET 44 -0.425 13.551 -15.572 375 1HG MET 44 2HG MET 44 -0.536 13.574 -13.318 376 2HG MET 44 1HG MET 44 -1.575 14.997 -13.300 377 1HE MET 44 1HE MET 44 -3.160 10.824 -14.418 378 2HE MET 44 2HE MET 44 -1.451 11.221 -14.261 379 3HE MET 44 3HE MET 44 -2.414 11.985 -15.522 380 H THR 45 H THR 45 -3.311 15.077 -14.574 381 HA THR 45 HA THR 45 -3.793 17.959 -14.001 382 HB THR 45 HB THR 45 -6.296 17.051 -14.536 383 HG1 THR 45 HG1 THR 45 -6.220 15.677 -16.200 384 1HG2 THR 45 1HG2 THR 45 -5.365 19.130 -15.352 385 2HG2 THR 45 2HG2 THR 45 -5.924 18.212 -16.751 386 3HG2 THR 45 3HG2 THR 45 -4.204 18.263 -16.358 387 H ASN 46 H ASN 46 -3.236 15.251 -12.484 388 HA ASN 46 HA ASN 46 -3.696 14.577 -10.279 389 1HB ASN 46 3HB ASN 46 -4.286 17.280 -10.332 390 2HB ASN 46 2HB ASN 46 -5.772 16.556 -9.718 391 1HD2 ASN 46 1HD2 ASN 46 -2.884 17.809 -8.660 392 2HD2 ASN 46 2HD2 ASN 46 -2.712 16.938 -7.214 393 H LEU 47 H LEU 47 -6.738 15.845 -11.674 394 HA LEU 47 HA LEU 47 -8.222 13.598 -10.532 395 1HB LEU 47 3HB LEU 47 -8.907 16.156 -11.315 396 2HB LEU 47 2HB LEU 47 -9.597 15.159 -12.598 397 HG LEU 47 HG LEU 47 -11.227 15.402 -10.788 398 1HD1 LEU 47 1HD1 LEU 47 -11.605 13.014 -10.298 399 2HD1 LEU 47 2HD1 LEU 47 -9.955 12.646 -10.804 400 3HD1 LEU 47 3HD1 LEU 47 -11.127 13.238 -11.982 401 1HD2 LEU 47 1HD2 LEU 47 -10.731 15.109 -8.558 402 2HD2 LEU 47 2HD2 LEU 47 -9.123 15.571 -9.116 403 3HD2 LEU 47 3HD2 LEU 47 -9.521 13.869 -8.885 404 H GLU 48 H GLU 48 -6.335 13.968 -13.292 405 HA GLU 48 HA GLU 48 -7.971 12.299 -15.062 406 1HB GLU 48 3HB GLU 48 -5.576 13.905 -15.283 407 2HB GLU 48 2HB GLU 48 -5.312 12.314 -15.988 408 1HG GLU 48 2HG GLU 48 -7.858 13.766 -16.618 409 2HG GLU 48 1HG GLU 48 -6.375 14.243 -17.446 410 H LYS 49 H LYS 49 -5.407 11.843 -12.734 411 HA LYS 49 HA LYS 49 -4.794 9.145 -13.649 412 1HB LYS 49 3HB LYS 49 -3.429 9.041 -11.539 413 2HB LYS 49 2HB LYS 49 -2.993 10.344 -12.632 414 1HG LYS 49 2HG LYS 49 -3.105 11.579 -10.719 415 2HG LYS 49 1HG LYS 49 -4.814 11.611 -11.105 416 1HD LYS 49 2HD LYS 49 -5.139 9.573 -9.703 417 2HD LYS 49 1HD LYS 49 -3.441 9.678 -9.236 418 1HE LYS 49 2HE LYS 49 -4.409 12.255 -8.810 419 2HE LYS 49 1HE LYS 49 -5.721 11.213 -8.257 420 1HZ LYS 49 1HZ LYS 49 -3.373 11.805 -6.922 421 2HZ LYS 49 2HZ LYS 49 -3.228 10.185 -7.409 422 3HZ LYS 49 3HZ LYS 49 -4.554 10.676 -6.470 423 H GLN 50 H GLN 50 -7.542 10.112 -12.380 424 HA GLN 50 HA GLN 50 -7.900 8.497 -10.062 425 1HB GLN 50 3HB GLN 50 -10.081 9.172 -10.106 426 2HB GLN 50 2HB GLN 50 -9.404 10.377 -11.190 427 1HG GLN 50 2HG GLN 50 -10.419 9.474 -13.048 428 2HG GLN 50 1HG GLN 50 -10.371 7.827 -12.424 429 1HE2 GLN 50 1HE2 GLN 50 -12.731 9.396 -13.485 430 2HE2 GLN 50 2HE2 GLN 50 -13.874 9.367 -12.230 431 HA PRO 51 HA PRO 51 -9.397 5.061 -13.045 432 1HB PRO 51 3HB PRO 51 -8.517 5.179 -15.630 433 2HB PRO 51 2HB PRO 51 -10.029 5.896 -15.065 434 1HG PRO 51 2HG PRO 51 -7.498 7.253 -15.820 435 2HG PRO 51 1HG PRO 51 -9.149 7.889 -15.819 436 1HD PRO 51 2HD PRO 51 -7.151 8.341 -13.845 437 2HD PRO 51 1HD PRO 51 -8.857 8.806 -13.746 438 H TYR 52 H TYR 52 -6.152 6.355 -13.754 439 HA TYR 52 HA TYR 52 -4.921 3.817 -14.282 440 1HB TYR 52 3HB TYR 52 -3.452 6.081 -12.953 441 2HB TYR 52 2HB TYR 52 -2.872 4.953 -14.180 442 HD1 TYR 52 HD1 TYR 52 -2.768 8.049 -14.231 443 HD2 TYR 52 HD2 TYR 52 -5.517 5.182 -15.854 444 HE1 TYR 52 HE1 TYR 52 -3.417 9.665 -15.986 445 HE2 TYR 52 HE2 TYR 52 -6.171 6.794 -17.609 446 HH TYR 52 HH TYR 52 -6.130 9.115 -18.084 447 H TYR 53 H TYR 53 -6.298 5.145 -11.515 448 HA TYR 53 HA TYR 53 -4.547 3.961 -9.550 449 1HB TYR 53 3HB TYR 53 -7.030 5.509 -9.621 450 2HB TYR 53 2HB TYR 53 -7.001 4.310 -8.339 451 HD1 TYR 53 HD1 TYR 53 -4.267 4.150 -7.473 452 HD2 TYR 53 HD2 TYR 53 -6.476 7.604 -8.753 453 HE1 TYR 53 HE1 TYR 53 -2.751 5.608 -6.164 454 HE2 TYR 53 HE2 TYR 53 -4.961 9.058 -7.440 455 HH TYR 53 HH TYR 53 -2.680 7.777 -5.177 456 H GLU 54 H GLU 54 -7.940 3.187 -10.356 457 HA GLU 54 HA GLU 54 -7.954 0.634 -9.145 458 1HB GLU 54 3HB GLU 54 -9.805 0.195 -10.928 459 2HB GLU 54 2HB GLU 54 -10.078 1.467 -9.740 460 1HG GLU 54 2HG GLU 54 -9.877 3.141 -11.287 461 2HG GLU 54 1HG GLU 54 -8.648 2.279 -12.210 462 H GLU 55 H GLU 55 -6.895 1.680 -12.340 463 HA GLU 55 HA GLU 55 -6.596 -0.905 -13.500 464 1HB GLU 55 3HB GLU 55 -5.719 1.809 -14.079 465 2HB GLU 55 2HB GLU 55 -4.581 0.581 -14.622 466 1HG GLU 55 2HG GLU 55 -7.241 -0.291 -15.236 467 2HG GLU 55 1HG GLU 55 -7.036 1.352 -15.840 468 H GLN 56 H GLN 56 -4.900 0.670 -10.980 469 HA GLN 56 HA GLN 56 -2.385 -0.757 -11.360 470 1HB GLN 56 3HB GLN 56 -1.624 0.463 -9.579 471 2HB GLN 56 2HB GLN 56 -2.975 1.491 -10.001 472 1HG GLN 56 2HG GLN 56 -4.333 0.492 -8.253 473 2HG GLN 56 1HG GLN 56 -3.100 -0.724 -7.931 474 1HE2 GLN 56 1HE2 GLN 56 -4.307 1.884 -6.477 475 2HE2 GLN 56 2HE2 GLN 56 -2.906 2.568 -5.806 476 H ALA 57 H ALA 57 -5.058 -0.947 -9.074 477 HA ALA 57 HA ALA 57 -4.345 -3.192 -7.610 478 1HB ALA 57 1HB ALA 57 -6.402 -2.760 -6.794 479 2HB ALA 57 2HB ALA 57 -7.094 -3.524 -8.225 480 3HB ALA 57 3HB ALA 57 -6.784 -1.788 -8.215 481 H ARG 58 H ARG 58 -5.595 -3.040 -10.898 482 HA ARG 58 HA ARG 58 -5.981 -5.889 -11.210 483 1HB ARG 58 3HB ARG 58 -5.581 -3.642 -13.204 484 2HB ARG 58 2HB ARG 58 -5.921 -5.307 -13.676 485 1HG ARG 58 2HG ARG 58 -7.965 -5.155 -12.125 486 2HG ARG 58 1HG ARG 58 -7.684 -3.413 -12.117 487 1HD ARG 58 2HD ARG 58 -7.760 -3.444 -14.620 488 2HD ARG 58 1HD ARG 58 -8.200 -5.150 -14.547 489 HE ARG 58 HE ARG 58 -9.912 -3.182 -13.117 490 1HH1 ARG 58 1HH2 ARG 58 -10.902 -5.920 -13.350 491 2HH1 ARG 58 2HH2 ARG 58 -11.890 -5.875 -14.771 492 1HH2 ARG 58 1HH1 ARG 58 -10.523 -2.912 -15.946 493 2HH2 ARG 58 2HH1 ARG 58 -11.677 -4.170 -16.241 494 H LEU 59 H LEU 59 -3.491 -3.693 -12.465 495 HA LEU 59 HA LEU 59 -1.723 -5.812 -13.272 496 1HB LEU 59 3HB LEU 59 -0.071 -3.968 -13.530 497 2HB LEU 59 2HB LEU 59 -1.603 -3.621 -14.324 498 HG LEU 59 HG LEU 59 -2.255 -2.445 -12.106 499 1HD1 LEU 59 1HD1 LEU 59 0.416 -3.356 -11.511 500 2HD1 LEU 59 2HD1 LEU 59 -0.721 -2.517 -10.456 501 3HD1 LEU 59 3HD1 LEU 59 0.380 -1.594 -11.478 502 1HD2 LEU 59 1HD2 LEU 59 -1.886 -0.610 -13.362 503 2HD2 LEU 59 2HD2 LEU 59 -0.922 -1.600 -14.459 504 3HD2 LEU 59 3HD2 LEU 59 -0.144 -0.753 -13.120 505 H SER 60 H SER 60 -2.550 -4.796 -10.190 506 HA SER 60 HA SER 60 0.117 -4.960 -8.991 507 1HB SER 60 3HB SER 60 -2.646 -5.116 -7.738 508 2HB SER 60 2HB SER 60 -1.135 -5.003 -6.841 509 HG SER 60 HG SER 60 -2.423 -2.992 -7.421 510 H LYS 61 H LYS 61 -2.812 -6.945 -8.923 511 HA LYS 61 HA LYS 61 -1.612 -9.280 -7.796 512 1HB LYS 61 3HB LYS 61 -4.141 -8.575 -8.345 513 2HB LYS 61 2HB LYS 61 -3.819 -9.528 -9.794 514 1HG LYS 61 2HG LYS 61 -4.304 -11.354 -8.553 515 2HG LYS 61 1HG LYS 61 -2.769 -11.080 -7.728 516 1HD LYS 61 2HD LYS 61 -3.956 -9.554 -6.136 517 2HD LYS 61 1HD LYS 61 -5.479 -10.004 -6.901 518 1HE LYS 61 2HE LYS 61 -5.439 -12.151 -6.045 519 2HE LYS 61 1HE LYS 61 -3.676 -12.203 -5.978 520 1HZ LYS 61 1HZ LYS 61 -4.926 -12.002 -3.791 521 2HZ LYS 61 2HZ LYS 61 -5.238 -10.392 -4.239 522 3HZ LYS 61 3HZ LYS 61 -3.638 -10.927 -4.045 523 H GLN 62 H GLN 62 -2.008 -8.090 -11.094 524 HA GLN 62 HA GLN 62 -0.883 -10.449 -12.354 525 1HB GLN 62 3HB GLN 62 -1.187 -7.623 -13.419 526 2HB GLN 62 2HB GLN 62 -0.826 -9.053 -14.386 527 1HG GLN 62 2HG GLN 62 -3.233 -9.141 -12.618 528 2HG GLN 62 1HG GLN 62 -3.329 -8.178 -14.093 529 1HE2 GLN 62 1HE2 GLN 62 -3.624 -9.302 -16.056 530 2HE2 GLN 62 2HE2 GLN 62 -3.571 -10.993 -16.200 531 H HIS 63 H HIS 63 0.396 -7.367 -11.164 532 HA HIS 63 HA HIS 63 2.915 -7.267 -12.338 533 1HB HIS 63 3HB HIS 63 2.109 -5.663 -10.596 534 2HB HIS 63 2HB HIS 63 2.394 -6.897 -9.372 535 HD1 HIS 63 HD1 HIS 63 4.787 -6.712 -12.207 536 HD2 HIS 63 HD2 HIS 63 4.553 -5.272 -8.302 537 HE1 HIS 63 HE1 HIS 63 7.109 -5.911 -11.599 538 H LEU 64 H LEU 64 2.210 -8.982 -9.291 539 HA LEU 64 HA LEU 64 4.658 -10.387 -9.152 540 1HB LEU 64 3HB LEU 64 1.883 -10.958 -8.137 541 2HB LEU 64 2HB LEU 64 3.166 -12.144 -7.924 542 HG LEU 64 HG LEU 64 4.101 -9.494 -7.219 543 1HD1 LEU 64 1HD1 LEU 64 2.578 -9.737 -5.008 544 2HD1 LEU 64 2HD1 LEU 64 1.448 -10.380 -6.200 545 3HD1 LEU 64 3HD1 LEU 64 2.093 -8.749 -6.387 546 1HD2 LEU 64 1HD2 LEU 64 4.405 -12.206 -6.450 547 2HD2 LEU 64 2HD2 LEU 64 3.844 -11.342 -5.018 548 3HD2 LEU 64 3HD2 LEU 64 5.308 -10.816 -5.849 549 H GLU 65 H GLU 65 1.616 -11.250 -10.746 550 HA GLU 65 HA GLU 65 2.476 -13.788 -11.709 551 1HB GLU 65 3HB GLU 65 0.333 -11.844 -12.507 552 2HB GLU 65 2HB GLU 65 0.655 -13.259 -13.509 553 1HG GLU 65 2HG GLU 65 0.559 -14.496 -11.145 554 2HG GLU 65 1HG GLU 65 -0.452 -13.110 -10.738 555 H LYS 66 H LYS 66 3.461 -10.651 -12.525 556 HA LYS 66 HA LYS 66 4.111 -11.307 -15.324 557 1HB LYS 66 3HB LYS 66 4.318 -8.851 -13.610 558 2HB LYS 66 2HB LYS 66 5.283 -8.964 -15.077 559 1HG LYS 66 2HG LYS 66 2.761 -9.837 -15.870 560 2HG LYS 66 1HG LYS 66 2.421 -8.494 -14.779 561 1HD LYS 66 2HD LYS 66 4.360 -7.314 -16.138 562 2HD LYS 66 1HD LYS 66 3.920 -8.493 -17.374 563 1HE LYS 66 2HE LYS 66 1.702 -7.672 -17.527 564 2HE LYS 66 1HE LYS 66 1.835 -6.791 -16.004 565 1HZ LYS 66 1HZ LYS 66 3.692 -6.120 -18.167 566 2HZ LYS 66 2HZ LYS 66 3.034 -5.127 -16.956 567 3HZ LYS 66 3HZ LYS 66 2.090 -5.578 -18.293 568 H TYR 67 H TYR 67 5.787 -10.793 -12.242 569 HA TYR 67 HA TYR 67 8.174 -12.087 -13.481 570 1HB TYR 67 3HB TYR 67 9.661 -10.591 -12.315 571 2HB TYR 67 2HB TYR 67 8.497 -9.604 -13.198 572 HD1 TYR 67 HD1 TYR 67 6.280 -9.025 -11.836 573 HD2 TYR 67 HD2 TYR 67 10.036 -10.120 -10.068 574 HE1 TYR 67 HE1 TYR 67 5.595 -7.943 -9.712 575 HE2 TYR 67 HE2 TYR 67 9.353 -9.040 -7.943 576 HH TYR 67 HH TYR 67 6.618 -8.489 -6.964 577 HA PRO 68 HA PRO 68 6.825 -14.115 -9.523 578 1HB PRO 68 3HB PRO 68 6.263 -16.551 -10.647 579 2HB PRO 68 2HB PRO 68 5.068 -15.265 -10.464 580 1HG PRO 68 2HG PRO 68 6.464 -16.177 -12.933 581 2HG PRO 68 1HG PRO 68 4.875 -15.413 -12.761 582 1HD PRO 68 2HD PRO 68 7.243 -14.114 -13.590 583 2HD PRO 68 1HD PRO 68 5.747 -13.313 -13.064 584 H ASP 69 H ASP 69 8.209 -16.075 -12.125 585 HA ASP 69 HA ASP 69 10.157 -17.275 -10.367 586 1HB ASP 69 3HB ASP 69 9.057 -17.904 -12.860 587 2HB ASP 69 2HB ASP 69 10.761 -17.585 -13.187 588 H TYR 70 H TYR 70 10.648 -14.625 -10.090 589 HA TYR 70 HA TYR 70 12.432 -13.452 -11.950 590 1HB TYR 70 3HB TYR 70 11.365 -12.161 -10.151 591 2HB TYR 70 2HB TYR 70 12.278 -13.070 -8.949 592 HD1 TYR 70 HD1 TYR 70 13.057 -10.732 -8.221 593 HD2 TYR 70 HD2 TYR 70 14.085 -12.482 -12.010 594 HE1 TYR 70 HE1 TYR 70 14.943 -9.136 -8.448 595 HE2 TYR 70 HE2 TYR 70 15.971 -10.886 -12.234 596 HH TYR 70 HH TYR 70 17.445 -9.509 -10.357 Start of MODEL 25 1 HA PRO 1 HA PRO 1 4.891 -6.675 -11.511 2 1HB PRO 1 3HB PRO 1 5.133 -9.444 -12.213 3 2HB PRO 1 2HB PRO 1 5.896 -8.050 -12.993 4 1HG PRO 1 2HG PRO 1 7.137 -10.041 -11.355 5 2HG PRO 1 1HG PRO 1 7.889 -8.632 -12.115 6 1HD PRO 1 2HD PRO 1 7.306 -9.037 -9.336 7 2HD PRO 1 1HD PRO 1 8.083 -7.646 -10.097 8 H HIS 2 H HIS 2 4.551 -10.045 -10.382 9 HA HIS 2 HA HIS 2 1.623 -9.555 -10.146 10 1HB HIS 2 3HB HIS 2 2.777 -11.505 -11.512 11 2HB HIS 2 2HB HIS 2 2.861 -12.278 -9.929 12 HD1 HIS 2 HD1 HIS 2 0.487 -11.314 -12.620 13 HD2 HIS 2 HD2 HIS 2 0.275 -12.788 -8.726 14 HE1 HIS 2 HE1 HIS 2 -1.894 -12.112 -12.283 15 H ILE 3 H ILE 3 2.835 -8.407 -8.046 16 HA ILE 3 HA ILE 3 2.101 -10.203 -5.813 17 HB ILE 3 HB ILE 3 4.404 -8.869 -4.894 18 1HG1 ILE 3 2HG1 ILE 3 5.068 -10.372 -7.437 19 2HG1 ILE 3 1HG1 ILE 3 4.909 -8.616 -7.395 20 1HG2 ILE 3 1HG2 ILE 3 4.149 -11.750 -5.799 21 2HG2 ILE 3 2HG2 ILE 3 3.502 -11.131 -4.279 22 3HG2 ILE 3 3HG2 ILE 3 5.243 -11.121 -4.567 23 1HD1 ILE 3 1HD1 ILE 3 6.692 -8.419 -5.783 24 2HD1 ILE 3 2HD1 ILE 3 7.272 -9.452 -7.089 25 3HD1 ILE 3 3HD1 ILE 3 6.753 -10.168 -5.563 26 H LYS 4 H LYS 4 2.188 -8.850 -3.688 27 HA LYS 4 HA LYS 4 0.636 -6.441 -4.124 28 1HB LYS 4 3HB LYS 4 0.355 -7.927 -2.133 29 2HB LYS 4 2HB LYS 4 1.952 -7.427 -1.573 30 1HG LYS 4 2HG LYS 4 1.187 -5.432 -0.823 31 2HG LYS 4 1HG LYS 4 0.205 -5.170 -2.265 32 1HD LYS 4 2HD LYS 4 -1.608 -6.417 -1.402 33 2HD LYS 4 1HD LYS 4 -0.603 -7.189 -0.174 34 1HE LYS 4 2HE LYS 4 -1.760 -5.567 1.064 35 2HE LYS 4 1HE LYS 4 -0.233 -4.761 0.705 36 1HZ LYS 4 1HZ LYS 4 -2.777 -4.452 -0.798 37 2HZ LYS 4 2HZ LYS 4 -1.300 -3.721 -1.216 38 3HZ LYS 4 3HZ LYS 4 -2.077 -3.303 0.235 39 H ARG 5 H ARG 5 2.538 -5.590 -5.557 40 HA ARG 5 HA ARG 5 4.780 -4.451 -4.029 41 1HB ARG 5 3HB ARG 5 4.004 -4.563 -6.928 42 2HB ARG 5 2HB ARG 5 5.179 -3.361 -6.398 43 1HG ARG 5 2HG ARG 5 5.509 -6.222 -5.546 44 2HG ARG 5 1HG ARG 5 6.015 -5.733 -7.162 45 1HD ARG 5 2HD ARG 5 7.124 -3.731 -5.720 46 2HD ARG 5 1HD ARG 5 7.172 -5.021 -4.519 47 HE ARG 5 HE ARG 5 8.169 -6.111 -6.927 48 1HH1 ARG 5 1HH2 ARG 5 9.458 -3.501 -7.339 49 2HH1 ARG 5 2HH2 ARG 5 10.919 -3.631 -6.417 50 1HH2 ARG 5 1HH1 ARG 5 9.828 -6.353 -4.570 51 2HH2 ARG 5 2HH1 ARG 5 11.127 -5.243 -4.849 52 HA PRO 6 HA PRO 6 2.898 -0.533 -3.379 53 1HB PRO 6 3HB PRO 6 5.188 0.970 -3.120 54 2HB PRO 6 2HB PRO 6 4.596 -0.133 -1.865 55 1HG PRO 6 2HG PRO 6 6.893 -0.480 -3.733 56 2HG PRO 6 1HG PRO 6 6.634 -1.187 -2.129 57 1HD PRO 6 2HD PRO 6 6.251 -2.509 -4.606 58 2HD PRO 6 1HD PRO 6 5.694 -3.077 -3.019 59 H MET 7 H MET 7 2.176 -0.602 -5.734 60 HA MET 7 HA MET 7 3.754 1.225 -7.449 61 1HB MET 7 3HB MET 7 1.855 0.287 -9.124 62 2HB MET 7 2HB MET 7 3.389 -0.544 -8.878 63 1HG MET 7 2HG MET 7 2.443 -2.103 -7.398 64 2HG MET 7 1HG MET 7 1.026 -1.097 -7.107 65 1HE MET 7 1HE MET 7 0.784 -4.665 -9.269 66 2HE MET 7 2HE MET 7 1.526 -4.086 -7.780 67 3HE MET 7 3HE MET 7 2.447 -4.061 -9.281 68 H ASN 8 H ASN 8 1.560 2.067 -9.059 69 HA ASN 8 HA ASN 8 -0.684 2.866 -7.567 70 1HB ASN 8 3HB ASN 8 0.379 4.189 -6.085 71 2HB ASN 8 2HB ASN 8 1.766 4.365 -7.123 72 1HD2 ASN 8 1HD2 ASN 8 2.082 6.508 -7.731 73 2HD2 ASN 8 2HD2 ASN 8 0.841 7.631 -8.016 74 H ALA 9 H ALA 9 -1.540 5.095 -8.672 75 HA ALA 9 HA ALA 9 -1.975 4.461 -11.383 76 1HB ALA 9 1HB ALA 9 -3.096 6.548 -11.550 77 2HB ALA 9 2HB ALA 9 -2.113 7.267 -10.276 78 3HB ALA 9 3HB ALA 9 -3.322 6.045 -9.876 79 H PHE 10 H PHE 10 0.499 6.330 -9.812 80 HA PHE 10 HA PHE 10 1.498 7.625 -12.134 81 1HB PHE 10 3HB PHE 10 2.085 8.498 -10.053 82 2HB PHE 10 2HB PHE 10 2.651 6.947 -9.462 83 HD1 PHE 10 HD1 PHE 10 3.327 9.259 -12.352 84 HD2 PHE 10 HD2 PHE 10 4.952 6.657 -9.345 85 HE1 PHE 10 HE1 PHE 10 5.622 9.798 -13.124 86 HE2 PHE 10 HE2 PHE 10 7.244 7.196 -10.117 87 HZ PHE 10 HZ PHE 10 7.581 8.767 -12.006 88 H MET 11 H MET 11 2.970 4.916 -10.329 89 HA MET 11 HA MET 11 4.776 4.253 -12.450 90 1HB MET 11 3HB MET 11 3.636 2.568 -10.192 91 2HB MET 11 2HB MET 11 4.891 1.999 -11.293 92 1HG MET 11 2HG MET 11 5.682 4.568 -10.348 93 2HG MET 11 1HG MET 11 5.195 3.614 -8.948 94 1HE MET 11 1HE MET 11 5.355 1.058 -9.527 95 2HE MET 11 2HE MET 11 6.706 0.958 -8.400 96 3HE MET 11 3HE MET 11 6.855 0.252 -10.006 97 H VAL 12 H VAL 12 1.428 3.851 -11.956 98 HA VAL 12 HA VAL 12 1.116 1.598 -13.778 99 HB VAL 12 HB VAL 12 -0.721 3.439 -12.264 100 1HG1 VAL 12 1HG1 VAL 12 -1.812 3.169 -14.416 101 2HG1 VAL 12 2HG1 VAL 12 -2.643 2.167 -13.226 102 3HG1 VAL 12 3HG1 VAL 12 -1.531 1.428 -14.379 103 1HG2 VAL 12 1HG2 VAL 12 0.390 1.435 -11.205 104 2HG2 VAL 12 2HG2 VAL 12 -0.535 0.421 -12.311 105 3HG2 VAL 12 3HG2 VAL 12 -1.371 1.427 -11.127 106 H TRP 13 H TRP 13 0.485 5.064 -13.756 107 HA TRP 13 HA TRP 13 -0.344 4.990 -16.585 108 1HB TRP 13 3HB TRP 13 -1.474 6.717 -15.664 109 2HB TRP 13 2HB TRP 13 -0.344 6.867 -14.341 110 HD1 TRP 13 HD1 TRP 13 -1.555 8.600 -17.217 111 HE1 TRP 13 HE1 TRP 13 -0.038 10.572 -17.814 112 HE3 TRP 13 HE3 TRP 13 2.536 7.509 -14.396 113 HZ2 TRP 13 HZ2 TRP 13 2.561 11.571 -17.225 114 HZ3 TRP 13 HZ3 TRP 13 4.518 8.975 -14.428 115 HH2 TRP 13 HH2 TRP 13 4.528 11.012 -15.825 116 H ALA 14 H ALA 14 2.462 5.692 -14.697 117 HA ALA 14 HA ALA 14 4.010 6.898 -16.816 118 1HB ALA 14 1HB ALA 14 5.650 7.159 -15.229 119 2HB ALA 14 2HB ALA 14 5.284 5.625 -14.441 120 3HB ALA 14 3HB ALA 14 4.239 7.018 -14.188 121 H LYS 15 H LYS 15 3.346 3.572 -15.958 122 HA LYS 15 HA LYS 15 5.792 2.506 -16.999 123 1HB LYS 15 3HB LYS 15 4.636 0.333 -17.029 124 2HB LYS 15 2HB LYS 15 4.326 1.169 -15.508 125 1HG LYS 15 2HG LYS 15 2.123 1.567 -16.014 126 2HG LYS 15 1HG LYS 15 2.418 1.646 -17.751 127 1HD LYS 15 2HD LYS 15 2.949 -0.981 -16.498 128 2HD LYS 15 1HD LYS 15 1.257 -0.483 -16.507 129 1HE LYS 15 2HE LYS 15 1.775 0.147 -19.018 130 2HE LYS 15 1HE LYS 15 3.085 -1.018 -18.821 131 1HZ LYS 15 1HZ LYS 15 1.176 -2.173 -19.604 132 2HZ LYS 15 2HZ LYS 15 0.185 -1.492 -18.403 133 3HZ LYS 15 3HZ LYS 15 1.396 -2.606 -17.978 134 H ASP 16 H ASP 16 2.877 3.671 -18.310 135 HA ASP 16 HA ASP 16 3.545 2.616 -20.991 136 1HB ASP 16 3HB ASP 16 1.233 4.304 -21.024 137 2HB ASP 16 2HB ASP 16 1.326 2.572 -21.268 138 H GLU 17 H GLU 17 3.141 5.547 -19.132 139 HA GLU 17 HA GLU 17 3.668 7.426 -21.216 140 1HB GLU 17 3HB GLU 17 3.275 7.382 -18.390 141 2HB GLU 17 2HB GLU 17 4.736 8.309 -18.715 142 1HG GLU 17 2HG GLU 17 2.668 8.938 -20.635 143 2HG GLU 17 1HG GLU 17 2.079 9.149 -18.990 144 H ARG 18 H ARG 18 5.662 5.425 -19.146 145 HA ARG 18 HA ARG 18 8.182 6.663 -19.971 146 1HB ARG 18 3HB ARG 18 9.227 5.149 -18.517 147 2HB ARG 18 2HB ARG 18 7.652 5.339 -17.765 148 1HG ARG 18 2HG ARG 18 6.903 3.234 -18.500 149 2HG ARG 18 1HG ARG 18 8.133 3.128 -19.757 150 1HD ARG 18 2HD ARG 18 9.878 3.073 -17.943 151 2HD ARG 18 1HD ARG 18 8.565 2.929 -16.771 152 HE ARG 18 HE ARG 18 9.496 0.823 -18.578 153 1HH1 ARG 18 1HH1 ARG 18 8.148 1.116 -15.667 154 2HH1 ARG 18 2HH1 ARG 18 6.815 0.035 -15.904 155 1HH2 ARG 18 1HH2 ARG 18 7.238 -0.151 -19.341 156 2HH2 ARG 18 2HH2 ARG 18 6.303 -0.686 -17.985 157 H ARG 19 H ARG 19 6.214 3.891 -20.777 158 HA ARG 19 HA ARG 19 8.053 2.727 -22.642 159 1HB ARG 19 3HB ARG 19 6.470 1.109 -22.723 160 2HB ARG 19 2HB ARG 19 5.642 2.008 -21.477 161 1HG ARG 19 2HG ARG 19 3.895 2.255 -22.857 162 2HG ARG 19 1HG ARG 19 4.888 3.194 -23.956 163 1HD ARG 19 2HD ARG 19 5.229 0.239 -24.031 164 2HD ARG 19 1HD ARG 19 3.733 0.893 -24.699 165 HE ARG 19 HE ARG 19 5.599 2.468 -25.905 166 1HH1 ARG 19 1HH1 ARG 19 4.194 0.036 -27.182 167 2HH1 ARG 19 2HH1 ARG 19 5.559 -0.805 -27.837 168 1HH2 ARG 19 1HH2 ARG 19 7.883 0.963 -25.966 169 2HH2 ARG 19 2HH2 ARG 19 7.647 -0.286 -27.145 170 H LYS 20 H LYS 20 5.489 5.111 -22.766 171 HA LYS 20 HA LYS 20 5.592 5.454 -25.615 172 1HB LYS 20 3HB LYS 20 3.806 6.196 -23.726 173 2HB LYS 20 2HB LYS 20 4.673 7.717 -23.941 174 1HG LYS 20 2HG LYS 20 3.896 8.014 -26.070 175 2HG LYS 20 1HG LYS 20 3.937 6.289 -26.434 176 1HD LYS 20 2HD LYS 20 1.943 6.022 -24.888 177 2HD LYS 20 1HD LYS 20 1.840 7.781 -24.841 178 1HE LYS 20 2HE LYS 20 2.017 7.333 -27.537 179 2HE LYS 20 1HE LYS 20 1.111 5.914 -27.010 180 1HZ LYS 20 1HZ LYS 20 -0.419 7.407 -25.839 181 2HZ LYS 20 2HZ LYS 20 -0.389 7.709 -27.510 182 3HZ LYS 20 3HZ LYS 20 0.428 8.748 -26.442 183 H ILE 21 H ILE 21 7.481 6.603 -22.976 184 HA ILE 21 HA ILE 21 8.656 8.729 -24.657 185 HB ILE 21 HB ILE 21 8.210 8.408 -21.833 186 1HG1 ILE 21 2HG1 ILE 21 9.477 10.868 -22.353 187 2HG1 ILE 21 1HG1 ILE 21 8.593 10.466 -23.826 188 1HG2 ILE 21 1HG2 ILE 21 10.313 8.943 -20.876 189 2HG2 ILE 21 2HG2 ILE 21 11.042 9.255 -22.451 190 3HG2 ILE 21 3HG2 ILE 21 10.646 7.606 -21.974 191 1HD1 ILE 21 1HD1 ILE 21 6.961 11.560 -22.552 192 2HD1 ILE 21 2HD1 ILE 21 7.534 10.857 -21.038 193 3HD1 ILE 21 3HD1 ILE 21 6.645 9.863 -22.193 194 H LEU 22 H LEU 22 9.615 5.846 -22.873 195 HA LEU 22 HA LEU 22 12.352 5.792 -23.450 196 1HB LEU 22 3HB LEU 22 10.750 4.160 -22.172 197 2HB LEU 22 2HB LEU 22 10.704 3.317 -23.716 198 HG LEU 22 HG LEU 22 13.270 3.514 -23.678 199 1HD1 LEU 22 1HD1 LEU 22 13.968 4.817 -21.952 200 2HD1 LEU 22 2HD1 LEU 22 13.740 3.359 -20.986 201 3HD1 LEU 22 3HD1 LEU 22 12.470 4.583 -21.050 202 1HD2 LEU 22 1HD2 LEU 22 13.377 1.485 -22.226 203 2HD2 LEU 22 2HD2 LEU 22 12.085 1.425 -23.426 204 3HD2 LEU 22 3HD2 LEU 22 11.710 1.798 -21.743 205 H GLN 23 H GLN 23 9.610 5.172 -25.468 206 HA GLN 23 HA GLN 23 10.963 3.850 -27.609 207 1HB GLN 23 3HB GLN 23 9.039 4.412 -28.930 208 2HB GLN 23 2HB GLN 23 8.461 4.018 -27.315 209 1HG GLN 23 2HG GLN 23 8.526 6.426 -26.760 210 2HG GLN 23 1HG GLN 23 8.969 6.772 -28.426 211 1HE2 GLN 23 1HE2 GLN 23 7.023 7.831 -29.090 212 2HE2 GLN 23 2HE2 GLN 23 5.513 7.057 -29.121 213 H ALA 24 H ALA 24 10.298 7.062 -26.697 214 HA ALA 24 HA ALA 24 11.718 8.256 -28.963 215 1HB ALA 24 1HB ALA 24 11.077 10.410 -27.866 216 2HB ALA 24 2HB ALA 24 10.342 9.477 -26.561 217 3HB ALA 24 3HB ALA 24 9.693 9.368 -28.197 218 H PHE 25 H PHE 25 12.524 6.950 -26.010 219 HA PHE 25 HA PHE 25 15.183 8.147 -26.079 220 1HB PHE 25 3HB PHE 25 13.431 8.400 -23.611 221 2HB PHE 25 2HB PHE 25 15.124 8.880 -23.728 222 HD1 PHE 25 HD1 PHE 25 15.790 10.714 -25.320 223 HD2 PHE 25 HD2 PHE 25 11.684 9.808 -24.438 224 HE1 PHE 25 HE1 PHE 25 15.108 12.917 -26.231 225 HE2 PHE 25 HE2 PHE 25 11.003 12.012 -25.347 226 HZ PHE 25 HZ PHE 25 12.714 13.567 -26.243 227 HA PRO 26 HA PRO 26 14.766 3.691 -24.849 228 1HB PRO 26 3HB PRO 26 16.427 2.781 -26.838 229 2HB PRO 26 2HB PRO 26 14.674 2.943 -27.011 230 1HG PRO 26 2HG PRO 26 16.837 4.710 -28.084 231 2HG PRO 26 1HG PRO 26 15.241 4.350 -28.767 232 1HD PRO 26 2HD PRO 26 15.873 6.703 -27.393 233 2HD PRO 26 1HD PRO 26 14.231 6.077 -27.616 234 H ASP 27 H ASP 27 17.089 6.093 -25.012 235 HA ASP 27 HA ASP 27 19.228 4.391 -23.857 236 1HB ASP 27 3HB ASP 27 19.187 6.773 -25.473 237 2HB ASP 27 2HB ASP 27 20.108 7.039 -23.999 238 H MET 28 H MET 28 17.127 7.122 -23.295 239 HA MET 28 HA MET 28 18.023 7.784 -20.657 240 1HB MET 28 3HB MET 28 16.352 9.032 -22.329 241 2HB MET 28 2HB MET 28 15.180 8.151 -21.354 242 1HG MET 28 2HG MET 28 15.926 9.144 -19.339 243 2HG MET 28 1HG MET 28 17.399 9.750 -20.098 244 1HE MET 28 1HE MET 28 13.313 11.102 -21.648 245 2HE MET 28 2HE MET 28 13.493 9.797 -20.480 246 3HE MET 28 3HE MET 28 14.217 9.643 -22.078 247 H HIS 29 H HIS 29 18.263 5.850 -19.604 248 HA HIS 29 HA HIS 29 16.222 3.844 -19.542 249 1HB HIS 29 3HB HIS 29 17.648 2.740 -17.959 250 2HB HIS 29 2HB HIS 29 18.662 3.487 -19.194 251 HD1 HIS 29 HD1 HIS 29 19.339 2.904 -16.029 252 HD2 HIS 29 HD2 HIS 29 18.592 6.572 -17.860 253 HE1 HIS 29 HE1 HIS 29 20.404 4.669 -14.561 254 H ASN 30 H ASN 30 15.589 3.048 -17.153 255 HA ASN 30 HA ASN 30 13.545 4.698 -16.231 256 1HB ASN 30 3HB ASN 30 14.664 2.219 -15.478 257 2HB ASN 30 2HB ASN 30 14.591 3.196 -14.010 258 1HD2 ASN 30 1HD2 ASN 30 12.844 1.204 -13.815 259 2HD2 ASN 30 2HD2 ASN 30 11.257 1.665 -14.202 260 H SER 31 H SER 31 16.686 4.303 -14.532 261 HA SER 31 HA SER 31 16.428 6.058 -12.468 262 1HB SER 31 3HB SER 31 18.565 4.877 -13.575 263 2HB SER 31 2HB SER 31 18.855 6.546 -14.046 264 HG SER 31 HG SER 31 19.143 7.088 -12.016 265 H ASN 32 H ASN 32 16.844 7.039 -15.852 266 HA ASN 32 HA ASN 32 16.617 9.867 -15.018 267 1HB ASN 32 3HB ASN 32 17.806 8.494 -17.242 268 2HB ASN 32 2HB ASN 32 16.723 9.766 -17.796 269 1HD2 ASN 32 1HD2 ASN 32 19.511 10.093 -18.164 270 2HD2 ASN 32 2HD2 ASN 32 20.072 11.308 -17.121 271 H ILE 33 H ILE 33 14.970 7.500 -17.093 272 HA ILE 33 HA ILE 33 12.844 9.125 -18.002 273 HB ILE 33 HB ILE 33 12.929 6.189 -17.274 274 1HG1 ILE 33 2HG1 ILE 33 14.243 7.302 -19.252 275 2HG1 ILE 33 1HG1 ILE 33 13.327 5.826 -19.560 276 1HG2 ILE 33 1HG2 ILE 33 10.710 7.830 -18.526 277 2HG2 ILE 33 2HG2 ILE 33 10.612 6.814 -17.088 278 3HG2 ILE 33 3HG2 ILE 33 10.808 6.076 -18.677 279 1HD1 ILE 33 1HD1 ILE 33 12.956 7.683 -21.250 280 2HD1 ILE 33 2HD1 ILE 33 12.174 8.594 -19.956 281 3HD1 ILE 33 3HD1 ILE 33 11.496 7.057 -20.487 282 H SER 34 H SER 34 13.451 7.664 -14.897 283 HA SER 34 HA SER 34 10.904 7.790 -13.699 284 1HB SER 34 3HB SER 34 13.709 7.886 -12.779 285 2HB SER 34 2HB SER 34 12.519 8.538 -11.658 286 HG SER 34 HG SER 34 12.240 6.029 -12.953 287 H LYS 35 H LYS 35 13.386 10.319 -14.012 288 HA LYS 35 HA LYS 35 11.866 12.312 -12.620 289 1HB LYS 35 3HB LYS 35 13.923 12.907 -14.746 290 2HB LYS 35 2HB LYS 35 13.553 13.836 -13.292 291 1HG LYS 35 2HG LYS 35 14.273 11.201 -12.470 292 2HG LYS 35 1HG LYS 35 15.495 11.755 -13.614 293 1HD LYS 35 2HD LYS 35 15.853 13.785 -12.323 294 2HD LYS 35 1HD LYS 35 14.534 13.363 -11.232 295 1HE LYS 35 2HE LYS 35 16.806 12.819 -10.310 296 2HE LYS 35 1HE LYS 35 15.740 11.421 -10.424 297 1HZ LYS 35 1HZ LYS 35 18.133 11.235 -11.307 298 2HZ LYS 35 2HZ LYS 35 17.551 12.099 -12.648 299 3HZ LYS 35 3HZ LYS 35 16.871 10.596 -12.242 300 H ILE 36 H ILE 36 11.983 11.048 -15.820 301 HA ILE 36 HA ILE 36 10.579 13.188 -17.110 302 HB ILE 36 HB ILE 36 11.265 10.391 -17.779 303 1HG1 ILE 36 2HG1 ILE 36 12.195 11.579 -19.814 304 2HG1 ILE 36 1HG1 ILE 36 11.718 13.093 -19.046 305 1HG2 ILE 36 1HG2 ILE 36 10.062 10.787 -20.015 306 2HG2 ILE 36 2HG2 ILE 36 9.177 12.058 -19.173 307 3HG2 ILE 36 3HG2 ILE 36 9.047 10.386 -18.629 308 1HD1 ILE 36 1HD1 ILE 36 14.030 12.705 -18.484 309 2HD1 ILE 36 2HD1 ILE 36 13.685 11.044 -17.999 310 3HD1 ILE 36 3HD1 ILE 36 13.079 12.390 -17.034 311 H LEU 37 H LEU 37 9.600 9.956 -16.071 312 HA LEU 37 HA LEU 37 6.812 10.208 -16.466 313 1HB LEU 37 3HB LEU 37 8.463 8.666 -14.477 314 2HB LEU 37 2HB LEU 37 6.714 8.529 -14.575 315 HG LEU 37 HG LEU 37 8.677 7.978 -16.811 316 1HD1 LEU 37 1HD1 LEU 37 7.909 6.420 -14.645 317 2HD1 LEU 37 2HD1 LEU 37 8.621 5.830 -16.147 318 3HD1 LEU 37 3HD1 LEU 37 6.868 5.862 -15.954 319 1HD2 LEU 37 1HD2 LEU 37 6.831 8.595 -18.047 320 2HD2 LEU 37 2HD2 LEU 37 5.714 8.303 -16.714 321 3HD2 LEU 37 3HD2 LEU 37 6.325 6.949 -17.663 322 H GLY 38 H GLY 38 8.617 10.489 -13.418 323 1HA GLY 38 2HA GLY 38 6.517 11.478 -11.813 324 2HA GLY 38 1HA GLY 38 8.222 11.822 -11.517 325 H SER 39 H SER 39 8.120 13.009 -14.421 326 HA SER 39 HA SER 39 7.238 15.673 -13.512 327 1HB SER 39 3HB SER 39 8.676 16.602 -15.194 328 2HB SER 39 2HB SER 39 9.606 15.326 -14.416 329 HG SER 39 HG SER 39 9.162 15.538 -16.938 330 H ARG 40 H ARG 40 6.510 13.032 -15.494 331 HA ARG 40 HA ARG 40 4.801 14.514 -17.332 332 1HB ARG 40 3HB ARG 40 5.727 11.724 -16.931 333 2HB ARG 40 2HB ARG 40 4.341 12.033 -17.952 334 1HG ARG 40 2HG ARG 40 6.746 13.732 -18.334 335 2HG ARG 40 1HG ARG 40 6.838 12.066 -18.899 336 1HD ARG 40 2HD ARG 40 5.442 12.458 -20.605 337 2HD ARG 40 1HD ARG 40 4.323 13.375 -19.608 338 HE ARG 40 HE ARG 40 6.097 15.270 -19.875 339 1HH1 ARG 40 1HH2 ARG 40 4.258 13.858 -22.210 340 2HH1 ARG 40 2HH2 ARG 40 5.237 14.328 -23.557 341 1HH2 ARG 40 1HH1 ARG 40 7.872 15.438 -21.596 342 2HH2 ARG 40 2HH1 ARG 40 7.281 15.229 -23.212 343 H TRP 41 H TRP 41 4.825 12.625 -14.456 344 HA TRP 41 HA TRP 41 2.040 12.065 -14.180 345 1HB TRP 41 3HB TRP 41 3.915 10.996 -12.901 346 2HB TRP 41 2HB TRP 41 4.114 12.512 -12.030 347 HD1 TRP 41 HD1 TRP 41 2.736 12.623 -9.869 348 HE1 TRP 41 HE1 TRP 41 0.504 11.557 -9.037 349 HE3 TRP 41 HE3 TRP 41 1.465 10.043 -13.998 350 HZ2 TRP 41 HZ2 TRP 41 -1.564 9.814 -10.092 351 HZ3 TRP 41 HZ3 TRP 41 -0.603 8.692 -14.093 352 HH2 TRP 41 HH2 TRP 41 -2.116 8.587 -12.197 353 H LYS 42 H LYS 42 4.110 14.481 -12.587 354 HA LYS 42 HA LYS 42 1.947 15.901 -11.388 355 1HB LYS 42 3HB LYS 42 4.772 16.697 -12.138 356 2HB LYS 42 2HB LYS 42 3.668 17.809 -11.328 357 1HG LYS 42 2HG LYS 42 3.343 16.070 -9.545 358 2HG LYS 42 1HG LYS 42 4.617 15.121 -10.308 359 1HD LYS 42 2HD LYS 42 6.138 17.113 -10.079 360 2HD LYS 42 1HD LYS 42 4.875 17.900 -9.129 361 1HE LYS 42 2HE LYS 42 5.219 15.275 -8.080 362 2HE LYS 42 1HE LYS 42 6.823 15.987 -8.258 363 1HZ LYS 42 1HZ LYS 42 4.842 16.573 -6.347 364 2HZ LYS 42 2HZ LYS 42 5.148 17.969 -7.266 365 3HZ LYS 42 3HZ LYS 42 6.420 17.183 -6.459 366 H ALA 43 H ALA 43 3.057 15.640 -14.583 367 HA ALA 43 HA ALA 43 2.204 18.223 -15.516 368 1HB ALA 43 1HB ALA 43 3.217 15.714 -16.828 369 2HB ALA 43 2HB ALA 43 4.032 17.270 -16.669 370 3HB ALA 43 3HB ALA 43 2.673 17.097 -17.779 371 H MET 44 H MET 44 1.024 14.892 -16.040 372 HA MET 44 HA MET 44 -1.172 15.428 -17.659 373 1HB MET 44 3HB MET 44 -2.189 13.352 -16.545 374 2HB MET 44 2HB MET 44 -0.646 13.153 -17.351 375 1HG MET 44 2HG MET 44 -0.417 12.057 -15.264 376 2HG MET 44 1HG MET 44 0.424 13.580 -15.073 377 1HE MET 44 1HE MET 44 -0.658 11.686 -12.733 378 2HE MET 44 2HE MET 44 -1.878 11.171 -13.873 379 3HE MET 44 3HE MET 44 -2.353 11.849 -12.319 380 H THR 45 H THR 45 -3.542 14.578 -16.336 381 HA THR 45 HA THR 45 -3.921 16.939 -14.574 382 HB THR 45 HB THR 45 -6.275 16.929 -15.436 383 HG1 THR 45 HG1 THR 45 -6.769 15.142 -16.411 384 1HG2 THR 45 1HG2 THR 45 -5.678 18.286 -17.199 385 2HG2 THR 45 2HG2 THR 45 -4.533 17.112 -17.848 386 3HG2 THR 45 3HG2 THR 45 -4.087 18.105 -16.460 387 H ASN 46 H ASN 46 -3.899 16.100 -12.621 388 HA ASN 46 HA ASN 46 -4.466 13.629 -11.598 389 1HB ASN 46 3HB ASN 46 -3.848 15.575 -10.239 390 2HB ASN 46 2HB ASN 46 -5.462 16.249 -10.474 391 1HD2 ASN 46 1HD2 ASN 46 -3.611 13.858 -8.689 392 2HD2 ASN 46 2HD2 ASN 46 -4.892 13.310 -7.718 393 H LEU 47 H LEU 47 -6.827 15.875 -12.933 394 HA LEU 47 HA LEU 47 -9.179 14.518 -11.939 395 1HB LEU 47 3HB LEU 47 -8.821 16.896 -13.130 396 2HB LEU 47 2HB LEU 47 -9.293 15.951 -14.546 397 HG LEU 47 HG LEU 47 -11.161 15.062 -12.848 398 1HD1 LEU 47 1HD1 LEU 47 -10.086 17.575 -11.678 399 2HD1 LEU 47 2HD1 LEU 47 -10.881 16.214 -10.886 400 3HD1 LEU 47 3HD1 LEU 47 -11.842 17.426 -11.734 401 1HD2 LEU 47 1HD2 LEU 47 -12.596 17.006 -13.712 402 2HD2 LEU 47 2HD2 LEU 47 -11.771 16.035 -14.932 403 3HD2 LEU 47 3HD2 LEU 47 -11.124 17.610 -14.473 404 H GLU 48 H GLU 48 -7.091 14.126 -14.727 405 HA GLU 48 HA GLU 48 -8.832 12.192 -16.039 406 1HB GLU 48 3HB GLU 48 -6.116 13.331 -16.552 407 2HB GLU 48 2HB GLU 48 -6.606 11.860 -17.388 408 1HG GLU 48 2HG GLU 48 -8.393 14.288 -17.340 409 2HG GLU 48 1HG GLU 48 -7.120 14.116 -18.549 410 H LYS 49 H LYS 49 -7.329 11.907 -13.245 411 HA LYS 49 HA LYS 49 -5.717 9.506 -13.671 412 1HB LYS 49 3HB LYS 49 -6.514 11.170 -11.313 413 2HB LYS 49 2HB LYS 49 -5.851 9.561 -11.051 414 1HG LYS 49 2HG LYS 49 -4.142 11.455 -11.091 415 2HG LYS 49 1HG LYS 49 -3.814 10.112 -12.188 416 1HD LYS 49 2HD LYS 49 -5.480 12.328 -13.248 417 2HD LYS 49 1HD LYS 49 -3.788 12.679 -13.008 418 1HE LYS 49 2HE LYS 49 -3.461 10.337 -14.211 419 2HE LYS 49 1HE LYS 49 -5.047 10.703 -14.864 420 1HZ LYS 49 1HZ LYS 49 -3.711 13.038 -15.133 421 2HZ LYS 49 2HZ LYS 49 -3.966 11.896 -16.365 422 3HZ LYS 49 3HZ LYS 49 -2.519 11.881 -15.477 423 H GLN 50 H GLN 50 -8.970 9.789 -13.764 424 HA GLN 50 HA GLN 50 -9.852 7.866 -11.884 425 1HB GLN 50 3HB GLN 50 -11.786 7.527 -13.533 426 2HB GLN 50 2HB GLN 50 -11.573 9.126 -12.843 427 1HG GLN 50 2HG GLN 50 -10.198 9.647 -14.968 428 2HG GLN 50 1HG GLN 50 -10.906 8.176 -15.628 429 1HE2 GLN 50 1HE2 GLN 50 -12.090 11.035 -13.755 430 2HE2 GLN 50 2HE2 GLN 50 -13.475 11.265 -14.711 431 HA PRO 51 HA PRO 51 -9.087 4.511 -15.174 432 1HB PRO 51 3HB PRO 51 -7.200 4.999 -17.083 433 2HB PRO 51 2HB PRO 51 -8.915 5.367 -17.276 434 1HG PRO 51 2HG PRO 51 -6.655 7.237 -16.859 435 2HG PRO 51 1HG PRO 51 -8.243 7.545 -17.580 436 1HD PRO 51 2HD PRO 51 -7.403 8.189 -14.930 437 2HD PRO 51 1HD PRO 51 -9.024 8.364 -15.609 438 H TYR 52 H TYR 52 -6.009 6.346 -14.957 439 HA TYR 52 HA TYR 52 -4.390 4.036 -14.495 440 1HB TYR 52 3HB TYR 52 -3.635 6.691 -13.326 441 2HB TYR 52 2HB TYR 52 -2.623 5.514 -14.167 442 HD1 TYR 52 HD1 TYR 52 -4.251 8.610 -14.475 443 HD2 TYR 52 HD2 TYR 52 -3.375 5.035 -16.685 444 HE1 TYR 52 HE1 TYR 52 -4.607 9.837 -16.596 445 HE2 TYR 52 HE2 TYR 52 -3.729 6.259 -18.807 446 HH TYR 52 HH TYR 52 -3.851 9.606 -19.003 447 H TYR 53 H TYR 53 -6.642 5.691 -12.570 448 HA TYR 53 HA TYR 53 -5.384 4.908 -10.046 449 1HB TYR 53 3HB TYR 53 -7.839 6.400 -10.838 450 2HB TYR 53 2HB TYR 53 -7.817 5.639 -9.258 451 HD1 TYR 53 HD1 TYR 53 -4.829 6.933 -11.030 452 HD2 TYR 53 HD2 TYR 53 -7.662 7.613 -7.876 453 HE1 TYR 53 HE1 TYR 53 -3.405 8.756 -10.144 454 HE2 TYR 53 HE2 TYR 53 -6.240 9.439 -6.993 455 HH TYR 53 HH TYR 53 -3.086 9.850 -7.777 456 H GLU 54 H GLU 54 -8.397 4.082 -11.751 457 HA GLU 54 HA GLU 54 -9.006 1.851 -10.059 458 1HB GLU 54 3HB GLU 54 -10.681 1.302 -11.748 459 2HB GLU 54 2HB GLU 54 -10.678 3.042 -11.483 460 1HG GLU 54 2HG GLU 54 -9.440 3.440 -13.488 461 2HG GLU 54 1HG GLU 54 -9.059 1.728 -13.672 462 H GLU 55 H GLU 55 -7.017 2.209 -12.934 463 HA GLU 55 HA GLU 55 -6.897 -0.547 -13.637 464 1HB GLU 55 3HB GLU 55 -5.399 1.873 -14.248 465 2HB GLU 55 2HB GLU 55 -4.423 0.409 -14.312 466 1HG GLU 55 2HG GLU 55 -6.978 -0.085 -15.544 467 2HG GLU 55 1HG GLU 55 -6.252 1.353 -16.262 468 H GLN 56 H GLN 56 -5.573 1.192 -10.982 469 HA GLN 56 HA GLN 56 -3.466 -0.782 -10.454 470 1HB GLN 56 3HB GLN 56 -2.751 0.669 -8.836 471 2HB GLN 56 2HB GLN 56 -3.660 1.816 -9.792 472 1HG GLN 56 2HG GLN 56 -5.547 1.646 -8.272 473 2HG GLN 56 1HG GLN 56 -4.778 0.326 -7.395 474 1HE2 GLN 56 1HE2 GLN 56 -2.642 0.903 -6.293 475 2HE2 GLN 56 2HE2 GLN 56 -2.452 2.485 -5.705 476 H ALA 57 H ALA 57 -6.481 0.226 -8.967 477 HA ALA 57 HA ALA 57 -6.600 -1.761 -6.968 478 1HB ALA 57 1HB ALA 57 -8.293 0.300 -7.952 479 2HB ALA 57 2HB ALA 57 -8.438 -0.586 -6.434 480 3HB ALA 57 3HB ALA 57 -9.250 -1.181 -7.882 481 H ARG 58 H ARG 58 -7.464 -1.919 -10.393 482 HA ARG 58 HA ARG 58 -8.929 -4.398 -10.134 483 1HB ARG 58 3HB ARG 58 -8.666 -4.565 -12.606 484 2HB ARG 58 2HB ARG 58 -9.308 -3.007 -12.088 485 1HG ARG 58 2HG ARG 58 -7.672 -2.202 -13.453 486 2HG ARG 58 1HG ARG 58 -6.662 -2.455 -12.033 487 1HD ARG 58 2HD ARG 58 -6.467 -4.911 -13.031 488 2HD ARG 58 1HD ARG 58 -6.864 -4.087 -14.537 489 HE ARG 58 HE ARG 58 -4.662 -2.913 -12.960 490 1HH1 ARG 58 1HH2 ARG 58 -5.027 -5.699 -14.761 491 2HH1 ARG 58 2HH2 ARG 58 -3.846 -5.297 -15.964 492 1HH2 ARG 58 1HH1 ARG 58 -3.435 -2.038 -14.856 493 2HH2 ARG 58 2HH1 ARG 58 -2.946 -3.226 -16.019 494 H LEU 59 H LEU 59 -5.609 -3.706 -11.281 495 HA LEU 59 HA LEU 59 -4.875 -6.428 -11.592 496 1HB LEU 59 3HB LEU 59 -2.513 -5.561 -11.312 497 2HB LEU 59 2HB LEU 59 -3.453 -4.758 -12.560 498 HG LEU 59 HG LEU 59 -4.062 -3.075 -10.633 499 1HD1 LEU 59 1HD1 LEU 59 -2.162 -2.828 -9.029 500 2HD1 LEU 59 2HD1 LEU 59 -1.485 -4.337 -9.638 501 3HD1 LEU 59 3HD1 LEU 59 -3.033 -4.340 -8.801 502 1HD2 LEU 59 1HD2 LEU 59 -1.638 -3.320 -12.343 503 2HD2 LEU 59 2HD2 LEU 59 -1.591 -2.081 -11.091 504 3HD2 LEU 59 3HD2 LEU 59 -2.863 -2.056 -12.310 505 H SER 60 H SER 60 -5.437 -4.584 -8.743 506 HA SER 60 HA SER 60 -3.719 -6.220 -7.017 507 1HB SER 60 3HB SER 60 -5.842 -4.130 -6.494 508 2HB SER 60 2HB SER 60 -5.096 -5.046 -5.187 509 HG SER 60 HG SER 60 -4.153 -2.902 -6.099 510 H LYS 61 H LYS 61 -7.112 -6.032 -7.913 511 HA LYS 61 HA LYS 61 -8.115 -7.981 -6.080 512 1HB LYS 61 3HB LYS 61 -9.207 -6.287 -7.923 513 2HB LYS 61 2HB LYS 61 -9.388 -7.840 -8.741 514 1HG LYS 61 2HG LYS 61 -11.156 -8.306 -7.425 515 2HG LYS 61 1HG LYS 61 -10.099 -8.242 -6.014 516 1HD LYS 61 2HD LYS 61 -10.843 -6.189 -5.404 517 2HD LYS 61 1HD LYS 61 -10.820 -5.592 -7.064 518 1HE LYS 61 2HE LYS 61 -12.937 -7.497 -6.042 519 2HE LYS 61 1HE LYS 61 -13.123 -5.743 -5.995 520 1HZ LYS 61 1HZ LYS 61 -14.104 -6.620 -7.992 521 2HZ LYS 61 2HZ LYS 61 -12.652 -7.396 -8.417 522 3HZ LYS 61 3HZ LYS 61 -12.739 -5.699 -8.398 523 H GLN 62 H GLN 62 -6.951 -8.266 -9.431 524 HA GLN 62 HA GLN 62 -7.387 -11.121 -9.578 525 1HB GLN 62 3HB GLN 62 -5.748 -10.910 -11.547 526 2HB GLN 62 2HB GLN 62 -7.241 -9.979 -11.662 527 1HG GLN 62 2HG GLN 62 -6.171 -7.962 -11.368 528 2HG GLN 62 1HG GLN 62 -4.911 -8.658 -10.348 529 1HE2 GLN 62 1HE2 GLN 62 -5.693 -10.220 -13.398 530 2HE2 GLN 62 2HE2 GLN 62 -4.283 -9.750 -14.218 531 H HIS 63 H HIS 63 -4.731 -9.074 -8.525 532 HA HIS 63 HA HIS 63 -2.608 -10.916 -8.521 533 1HB HIS 63 3HB HIS 63 -2.184 -8.630 -7.910 534 2HB HIS 63 2HB HIS 63 -3.306 -8.723 -6.555 535 HD1 HIS 63 HD1 HIS 63 -1.274 -11.748 -6.927 536 HD2 HIS 63 HD2 HIS 63 -0.892 -8.094 -4.955 537 HE1 HIS 63 HE1 HIS 63 0.575 -12.043 -5.220 538 H LEU 64 H LEU 64 -4.360 -10.110 -5.537 539 HA LEU 64 HA LEU 64 -3.618 -12.326 -4.037 540 1HB LEU 64 3HB LEU 64 -6.031 -10.568 -4.060 541 2HB LEU 64 2HB LEU 64 -6.098 -12.038 -3.093 542 HG LEU 64 HG LEU 64 -3.574 -10.926 -2.559 543 1HD1 LEU 64 1HD1 LEU 64 -4.076 -8.774 -3.384 544 2HD1 LEU 64 2HD1 LEU 64 -4.441 -8.646 -1.663 545 3HD1 LEU 64 3HD1 LEU 64 -5.748 -8.854 -2.829 546 1HD2 LEU 64 1HD2 LEU 64 -4.869 -10.309 -0.347 547 2HD2 LEU 64 2HD2 LEU 64 -4.674 -12.002 -0.801 548 3HD2 LEU 64 3HD2 LEU 64 -6.199 -11.174 -1.116 549 H GLU 65 H GLU 65 -6.181 -12.127 -6.459 550 HA GLU 65 HA GLU 65 -7.422 -14.602 -5.999 551 1HB GLU 65 3HB GLU 65 -6.977 -13.010 -8.523 552 2HB GLU 65 2HB GLU 65 -7.888 -14.521 -8.526 553 1HG GLU 65 2HG GLU 65 -8.854 -12.982 -6.342 554 2HG GLU 65 1HG GLU 65 -8.775 -11.906 -7.738 555 H LYS 66 H LYS 66 -4.246 -13.964 -7.108 556 HA LYS 66 HA LYS 66 -3.985 -16.594 -8.417 557 1HB LYS 66 3HB LYS 66 -2.251 -14.172 -8.102 558 2HB LYS 66 2HB LYS 66 -1.490 -15.722 -8.459 559 1HG LYS 66 2HG LYS 66 -3.709 -15.572 -10.180 560 2HG LYS 66 1HG LYS 66 -2.969 -13.972 -10.230 561 1HD LYS 66 2HD LYS 66 -0.866 -14.844 -10.910 562 2HD LYS 66 1HD LYS 66 -1.323 -16.493 -10.482 563 1HE LYS 66 2HE LYS 66 -1.408 -16.158 -12.927 564 2HE LYS 66 1HE LYS 66 -3.013 -16.497 -12.279 565 1HZ LYS 66 1HZ LYS 66 -3.346 -14.677 -13.650 566 2HZ LYS 66 2HZ LYS 66 -1.895 -13.923 -13.192 567 3HZ LYS 66 3HZ LYS 66 -3.209 -13.966 -12.116 568 H TYR 67 H TYR 67 -2.364 -14.880 -5.741 569 HA TYR 67 HA TYR 67 -2.396 -17.334 -4.141 570 1HB TYR 67 3HB TYR 67 0.295 -16.691 -3.919 571 2HB TYR 67 2HB TYR 67 -0.364 -18.057 -4.813 572 HD1 TYR 67 HD1 TYR 67 -0.106 -18.196 -7.147 573 HD2 TYR 67 HD2 TYR 67 0.500 -14.433 -5.167 574 HE1 TYR 67 HE1 TYR 67 0.723 -17.215 -9.268 575 HE2 TYR 67 HE2 TYR 67 1.330 -13.451 -7.288 576 HH TYR 67 HH TYR 67 0.975 -15.031 -10.307 577 HA PRO 68 HA PRO 68 -2.569 -13.924 -1.245 578 1HB PRO 68 3HB PRO 68 -3.290 -15.473 0.898 579 2HB PRO 68 2HB PRO 68 -4.435 -14.936 -0.340 580 1HG PRO 68 2HG PRO 68 -3.257 -17.643 0.075 581 2HG PRO 68 1HG PRO 68 -4.796 -17.193 -0.676 582 1HD PRO 68 2HD PRO 68 -2.434 -17.926 -2.051 583 2HD PRO 68 1HD PRO 68 -3.868 -17.162 -2.770 584 H ASP 69 H ASP 69 -1.723 -16.657 0.788 585 HA ASP 69 HA ASP 69 0.670 -15.333 1.710 586 1HB ASP 69 3HB ASP 69 -0.514 -18.030 2.352 587 2HB ASP 69 2HB ASP 69 0.906 -17.356 3.154 588 H TYR 70 H TYR 70 1.055 -18.663 1.454 589 HA TYR 70 HA TYR 70 3.461 -18.513 -0.017 590 1HB TYR 70 3HB TYR 70 1.636 -20.915 0.207 591 2HB TYR 70 2HB TYR 70 3.375 -20.930 -0.085 592 HD1 TYR 70 HD1 TYR 70 2.049 -22.406 2.190 593 HD2 TYR 70 HD2 TYR 70 3.645 -18.424 1.943 594 HE1 TYR 70 HE1 TYR 70 2.459 -22.417 4.637 595 HE2 TYR 70 HE2 TYR 70 4.054 -18.437 4.389 596 HH TYR 70 HH TYR 70 3.739 -19.541 6.298 Start of MODEL 26 1 HA PRO 1 HA PRO 1 4.013 -4.257 6.368 2 1HB PRO 1 3HB PRO 1 3.088 -3.525 3.754 3 2HB PRO 1 2HB PRO 1 2.150 -4.205 5.091 4 1HG PRO 1 2HG PRO 1 2.094 -1.521 4.083 5 2HG PRO 1 1HG PRO 1 1.154 -2.208 5.416 6 1HD PRO 1 2HD PRO 1 3.341 -0.370 5.578 7 2HD PRO 1 1HD PRO 1 2.411 -1.074 6.904 8 H HIS 2 H HIS 2 4.729 -5.427 4.193 9 HA HIS 2 HA HIS 2 7.246 -4.105 3.252 10 1HB HIS 2 3HB HIS 2 8.280 -6.309 3.142 11 2HB HIS 2 2HB HIS 2 7.631 -6.066 4.764 12 HD1 HIS 2 HD1 HIS 2 5.184 -7.167 5.187 13 HD2 HIS 2 HD2 HIS 2 7.256 -8.543 1.842 14 HE1 HIS 2 HE1 HIS 2 4.071 -9.335 4.497 15 H ILE 3 H ILE 3 5.029 -3.565 1.790 16 HA ILE 3 HA ILE 3 5.251 -5.416 -0.548 17 HB ILE 3 HB ILE 3 2.885 -4.279 -1.012 18 1HG1 ILE 3 2HG1 ILE 3 3.103 -4.271 2.013 19 2HG1 ILE 3 1HG1 ILE 3 3.006 -2.833 0.996 20 1HG2 ILE 3 1HG2 ILE 3 3.778 -6.709 0.338 21 2HG2 ILE 3 2HG2 ILE 3 2.524 -6.506 -0.884 22 3HG2 ILE 3 3HG2 ILE 3 2.148 -6.238 0.818 23 1HD1 ILE 3 1HD1 ILE 3 0.877 -4.612 0.267 24 2HD1 ILE 3 2HD1 ILE 3 0.762 -2.992 0.951 25 3HD1 ILE 3 3HD1 ILE 3 0.855 -4.394 2.017 26 H LYS 4 H LYS 4 7.134 -3.735 -0.894 27 HA LYS 4 HA LYS 4 6.312 -1.069 -1.729 28 1HB LYS 4 3HB LYS 4 8.659 -1.923 -0.870 29 2HB LYS 4 2HB LYS 4 8.920 -2.288 -2.577 30 1HG LYS 4 2HG LYS 4 9.663 -0.102 -2.551 31 2HG LYS 4 1HG LYS 4 7.951 0.186 -2.869 32 1HD LYS 4 2HD LYS 4 8.928 -0.005 -0.033 33 2HD LYS 4 1HD LYS 4 9.129 1.501 -0.930 34 1HE LYS 4 2HE LYS 4 6.536 0.901 -1.522 35 2HE LYS 4 1HE LYS 4 6.661 0.239 0.107 36 1HZ LYS 4 1HZ LYS 4 7.655 2.945 -0.530 37 2HZ LYS 4 2HZ LYS 4 7.238 2.296 0.984 38 3HZ LYS 4 3HZ LYS 4 6.024 2.680 -0.144 39 H ARG 5 H ARG 5 4.614 -1.999 -3.215 40 HA ARG 5 HA ARG 5 5.780 -2.707 -5.880 41 1HB ARG 5 3HB ARG 5 3.280 -3.513 -4.432 42 2HB ARG 5 2HB ARG 5 3.251 -3.470 -6.188 43 1HG ARG 5 2HG ARG 5 5.131 -5.075 -4.435 44 2HG ARG 5 1HG ARG 5 3.881 -5.708 -5.504 45 1HD ARG 5 2HD ARG 5 5.230 -4.341 -7.338 46 2HD ARG 5 1HD ARG 5 6.552 -4.544 -6.192 47 HE ARG 5 HE ARG 5 5.017 -6.924 -7.127 48 1HH1 ARG 5 1HH1 ARG 5 7.599 -5.143 -8.179 49 2HH1 ARG 5 2HH1 ARG 5 8.778 -6.404 -8.051 50 1HH2 ARG 5 1HH2 ARG 5 6.675 -8.557 -6.330 51 2HH2 ARG 5 2HH2 ARG 5 8.256 -8.337 -7.003 52 HA PRO 6 HA PRO 6 3.959 0.921 -7.555 53 1HB PRO 6 3HB PRO 6 2.837 0.019 -9.908 54 2HB PRO 6 2HB PRO 6 4.575 0.272 -9.674 55 1HG PRO 6 2HG PRO 6 3.041 -2.290 -9.737 56 2HG PRO 6 1HG PRO 6 4.728 -1.980 -10.182 57 1HD PRO 6 2HD PRO 6 3.889 -3.158 -7.784 58 2HD PRO 6 1HD PRO 6 5.481 -2.429 -8.055 59 H MET 7 H MET 7 2.426 0.980 -5.801 60 HA MET 7 HA MET 7 -0.324 0.018 -6.291 61 1HB MET 7 3HB MET 7 1.277 1.004 -4.026 62 2HB MET 7 2HB MET 7 -0.461 1.203 -3.970 63 1HG MET 7 2HG MET 7 -0.216 -1.370 -4.853 64 2HG MET 7 1HG MET 7 1.167 -1.237 -3.776 65 1HE MET 7 1HE MET 7 -0.577 0.314 -0.603 66 2HE MET 7 2HE MET 7 -0.301 1.263 -2.062 67 3HE MET 7 3HE MET 7 0.929 0.127 -1.515 68 H ASN 8 H ASN 8 1.352 2.460 -7.269 69 HA ASN 8 HA ASN 8 -0.685 4.543 -6.769 70 1HB ASN 8 3HB ASN 8 1.690 5.651 -7.843 71 2HB ASN 8 2HB ASN 8 1.035 5.883 -6.233 72 1HD2 ASN 8 1HD2 ASN 8 3.625 4.464 -8.020 73 2HD2 ASN 8 2HD2 ASN 8 4.342 3.623 -6.733 74 H ALA 9 H ALA 9 -1.483 5.639 -8.535 75 HA ALA 9 HA ALA 9 -1.636 4.252 -11.010 76 1HB ALA 9 1HB ALA 9 -2.458 6.673 -11.705 77 2HB ALA 9 2HB ALA 9 -2.436 6.919 -9.963 78 3HB ALA 9 3HB ALA 9 -3.435 5.647 -10.659 79 H PHE 10 H PHE 10 0.712 6.348 -9.729 80 HA PHE 10 HA PHE 10 1.658 7.614 -12.075 81 1HB PHE 10 3HB PHE 10 2.361 8.449 -10.037 82 2HB PHE 10 2HB PHE 10 2.863 6.873 -9.449 83 HD1 PHE 10 HD1 PHE 10 5.167 6.567 -9.311 84 HD2 PHE 10 HD2 PHE 10 3.562 9.034 -12.436 85 HE1 PHE 10 HE1 PHE 10 7.459 6.970 -10.168 86 HE2 PHE 10 HE2 PHE 10 5.847 9.434 -13.286 87 HZ PHE 10 HZ PHE 10 7.800 8.408 -12.161 88 H MET 11 H MET 11 3.308 4.935 -10.382 89 HA MET 11 HA MET 11 4.939 4.276 -12.621 90 1HB MET 11 3HB MET 11 3.959 2.443 -10.402 91 2HB MET 11 2HB MET 11 5.328 2.128 -11.470 92 1HG MET 11 2HG MET 11 6.440 4.178 -10.626 93 2HG MET 11 1HG MET 11 5.090 4.439 -9.522 94 1HE MET 11 1HE MET 11 8.518 3.599 -9.424 95 2HE MET 11 2HE MET 11 8.482 3.117 -7.730 96 3HE MET 11 3HE MET 11 7.621 4.566 -8.244 97 H VAL 12 H VAL 12 1.633 3.829 -11.929 98 HA VAL 12 HA VAL 12 1.244 1.557 -13.695 99 HB VAL 12 HB VAL 12 -0.538 3.467 -12.194 100 1HG1 VAL 12 1HG1 VAL 12 -2.386 1.783 -13.025 101 2HG1 VAL 12 2HG1 VAL 12 -1.291 1.594 -14.395 102 3HG1 VAL 12 3HG1 VAL 12 -1.942 3.184 -13.998 103 1HG2 VAL 12 1HG2 VAL 12 0.718 1.213 -11.382 104 2HG2 VAL 12 2HG2 VAL 12 -0.794 0.522 -11.973 105 3HG2 VAL 12 3HG2 VAL 12 -0.821 1.754 -10.712 106 H TRP 13 H TRP 13 0.533 5.012 -13.701 107 HA TRP 13 HA TRP 13 -0.338 4.875 -16.515 108 1HB TRP 13 3HB TRP 13 -1.493 6.586 -15.594 109 2HB TRP 13 2HB TRP 13 -0.334 6.786 -14.295 110 HD1 TRP 13 HD1 TRP 13 -1.591 8.366 -17.292 111 HE1 TRP 13 HE1 TRP 13 -0.129 10.365 -17.926 112 HE3 TRP 13 HE3 TRP 13 2.500 7.529 -14.353 113 HZ2 TRP 13 HZ2 TRP 13 2.429 11.469 -17.354 114 HZ3 TRP 13 HZ3 TRP 13 4.435 9.059 -14.432 115 HH2 TRP 13 HH2 TRP 13 4.405 11.035 -15.921 116 H ALA 14 H ALA 14 2.479 5.705 -14.695 117 HA ALA 14 HA ALA 14 3.959 6.973 -16.805 118 1HB ALA 14 1HB ALA 14 5.743 7.004 -15.271 119 2HB ALA 14 2HB ALA 14 5.133 5.603 -14.402 120 3HB ALA 14 3HB ALA 14 4.301 7.150 -14.275 121 H LYS 15 H LYS 15 3.330 3.645 -16.012 122 HA LYS 15 HA LYS 15 5.701 2.535 -17.124 123 1HB LYS 15 3HB LYS 15 4.526 0.430 -17.109 124 2HB LYS 15 2HB LYS 15 4.013 1.315 -15.672 125 1HG LYS 15 2HG LYS 15 1.918 0.816 -16.437 126 2HG LYS 15 1HG LYS 15 2.191 2.219 -17.470 127 1HD LYS 15 2HD LYS 15 3.357 0.450 -19.040 128 2HD LYS 15 1HD LYS 15 2.340 -0.690 -18.156 129 1HE LYS 15 2HE LYS 15 0.757 1.597 -18.848 130 2HE LYS 15 1HE LYS 15 1.584 1.030 -20.298 131 1HZ LYS 15 1HZ LYS 15 -0.644 -0.028 -19.687 132 2HZ LYS 15 2HZ LYS 15 0.223 -0.861 -18.486 133 3HZ LYS 15 3HZ LYS 15 0.628 -1.062 -20.124 134 H ASP 16 H ASP 16 2.703 3.701 -18.458 135 HA ASP 16 HA ASP 16 3.442 2.724 -21.138 136 1HB ASP 16 3HB ASP 16 0.982 3.170 -19.910 137 2HB ASP 16 2HB ASP 16 1.158 4.552 -20.992 138 H GLU 17 H GLU 17 3.179 5.610 -19.211 139 HA GLU 17 HA GLU 17 3.744 7.546 -21.243 140 1HB GLU 17 3HB GLU 17 3.345 7.421 -18.413 141 2HB GLU 17 2HB GLU 17 4.795 8.367 -18.724 142 1HG GLU 17 2HG GLU 17 2.842 9.103 -20.652 143 2HG GLU 17 1HG GLU 17 2.059 9.098 -19.077 144 H ARG 18 H ARG 18 5.698 5.480 -19.208 145 HA ARG 18 HA ARG 18 8.232 6.680 -20.025 146 1HB ARG 18 3HB ARG 18 9.270 5.108 -18.608 147 2HB ARG 18 2HB ARG 18 7.724 5.377 -17.816 148 1HG ARG 18 2HG ARG 18 6.832 3.322 -18.599 149 2HG ARG 18 1HG ARG 18 8.106 3.132 -19.802 150 1HD ARG 18 2HD ARG 18 9.759 2.704 -18.128 151 2HD ARG 18 1HD ARG 18 8.650 3.166 -16.831 152 HE ARG 18 HE ARG 18 7.881 0.863 -18.535 153 1HH1 ARG 18 1HH1 ARG 18 7.397 2.151 -15.562 154 2HH1 ARG 18 2HH1 ARG 18 7.782 0.731 -14.647 155 1HH2 ARG 18 1HH2 ARG 18 9.079 -0.988 -17.364 156 2HH2 ARG 18 2HH2 ARG 18 8.735 -1.045 -15.668 157 H ARG 19 H ARG 19 6.218 3.932 -20.826 158 HA ARG 19 HA ARG 19 8.020 2.704 -22.684 159 1HB ARG 19 3HB ARG 19 5.193 2.429 -21.880 160 2HB ARG 19 2HB ARG 19 5.518 2.005 -23.557 161 1HG ARG 19 2HG ARG 19 7.613 0.901 -21.979 162 2HG ARG 19 1HG ARG 19 6.087 0.481 -21.203 163 1HD ARG 19 2HD ARG 19 5.451 0.027 -23.808 164 2HD ARG 19 1HD ARG 19 7.168 -0.373 -23.823 165 HE ARG 19 HE ARG 19 5.214 -1.663 -21.959 166 1HH1 ARG 19 1HH1 ARG 19 6.068 -2.970 -24.581 167 2HH1 ARG 19 2HH1 ARG 19 7.318 -4.034 -24.031 168 1HH2 ARG 19 1HH2 ARG 19 7.674 -2.459 -20.962 169 2HH2 ARG 19 2HH2 ARG 19 8.229 -3.745 -21.982 170 H LYS 20 H LYS 20 5.416 5.084 -22.919 171 HA LYS 20 HA LYS 20 5.662 5.270 -25.774 172 1HB LYS 20 3HB LYS 20 4.105 7.096 -25.678 173 2HB LYS 20 2HB LYS 20 3.583 5.905 -24.488 174 1HG LYS 20 2HG LYS 20 3.543 7.702 -23.092 175 2HG LYS 20 1HG LYS 20 5.273 7.396 -22.984 176 1HD LYS 20 2HD LYS 20 5.144 9.697 -23.509 177 2HD LYS 20 1HD LYS 20 5.480 8.922 -25.060 178 1HE LYS 20 2HE LYS 20 3.677 10.148 -25.750 179 2HE LYS 20 1HE LYS 20 2.771 8.804 -25.054 180 1HZ LYS 20 1HZ LYS 20 3.289 10.384 -22.918 181 2HZ LYS 20 2HZ LYS 20 1.826 10.343 -23.781 182 3HZ LYS 20 3HZ LYS 20 3.000 11.516 -24.147 183 H ILE 21 H ILE 21 7.438 6.473 -23.170 184 HA ILE 21 HA ILE 21 8.635 8.639 -24.788 185 HB ILE 21 HB ILE 21 8.251 8.123 -21.940 186 1HG1 ILE 21 2HG1 ILE 21 9.287 10.728 -22.853 187 2HG1 ILE 21 1HG1 ILE 21 7.837 10.176 -23.694 188 1HG2 ILE 21 1HG2 ILE 21 10.942 9.260 -22.723 189 2HG2 ILE 21 2HG2 ILE 21 10.715 7.608 -22.154 190 3HG2 ILE 21 3HG2 ILE 21 10.336 8.962 -21.094 191 1HD1 ILE 21 1HD1 ILE 21 7.214 9.565 -21.101 192 2HD1 ILE 21 2HD1 ILE 21 6.735 11.057 -21.909 193 3HD1 ILE 21 3HD1 ILE 21 8.174 11.029 -20.889 194 H LEU 22 H LEU 22 9.610 5.841 -22.898 195 HA LEU 22 HA LEU 22 12.314 5.646 -23.460 196 1HB LEU 22 3HB LEU 22 10.713 4.141 -22.132 197 2HB LEU 22 2HB LEU 22 10.433 3.308 -23.654 198 HG LEU 22 HG LEU 22 12.995 3.214 -23.830 199 1HD1 LEU 22 1HD1 LEU 22 13.934 4.440 -22.134 200 2HD1 LEU 22 2HD1 LEU 22 13.703 2.951 -21.216 201 3HD1 LEU 22 3HD1 LEU 22 12.522 4.255 -21.096 202 1HD2 LEU 22 1HD2 LEU 22 12.448 1.086 -23.461 203 2HD2 LEU 22 2HD2 LEU 22 11.024 1.588 -22.548 204 3HD2 LEU 22 3HD2 LEU 22 12.574 1.390 -21.727 205 H GLN 23 H GLN 23 9.591 5.060 -25.497 206 HA GLN 23 HA GLN 23 10.873 3.604 -27.581 207 1HB GLN 23 3HB GLN 23 8.974 4.217 -28.924 208 2HB GLN 23 2HB GLN 23 8.389 3.911 -27.294 209 1HG GLN 23 2HG GLN 23 8.599 6.346 -26.835 210 2HG GLN 23 1HG GLN 23 9.003 6.587 -28.529 211 1HE2 GLN 23 1HE2 GLN 23 6.764 4.017 -28.192 212 2HE2 GLN 23 2HE2 GLN 23 5.353 4.889 -28.544 213 H ALA 24 H ALA 24 10.367 6.893 -26.846 214 HA ALA 24 HA ALA 24 11.760 7.899 -29.191 215 1HB ALA 24 1HB ALA 24 11.296 10.116 -28.176 216 2HB ALA 24 2HB ALA 24 10.661 9.300 -26.748 217 3HB ALA 24 3HB ALA 24 9.840 9.129 -28.298 218 H PHE 25 H PHE 25 12.566 6.944 -25.965 219 HA PHE 25 HA PHE 25 15.354 7.646 -26.458 220 1HB PHE 25 3HB PHE 25 14.341 8.712 -23.865 221 2HB PHE 25 2HB PHE 25 15.667 9.292 -24.872 222 HD1 PHE 25 HD1 PHE 25 15.235 10.770 -26.795 223 HD2 PHE 25 HD2 PHE 25 12.051 9.408 -24.252 224 HE1 PHE 25 HE1 PHE 25 13.740 12.511 -27.735 225 HE2 PHE 25 HE2 PHE 25 10.555 11.145 -25.196 226 HZ PHE 25 HZ PHE 25 11.399 12.697 -26.938 227 HA PRO 26 HA PRO 26 14.532 3.862 -23.932 228 1HB PRO 26 3HB PRO 26 16.063 2.236 -25.531 229 2HB PRO 26 2HB PRO 26 14.327 2.500 -25.771 230 1HG PRO 26 2HG PRO 26 16.638 3.672 -27.284 231 2HG PRO 26 1HG PRO 26 15.012 3.263 -27.860 232 1HD PRO 26 2HD PRO 26 15.840 5.857 -27.254 233 2HD PRO 26 1HD PRO 26 14.152 5.326 -27.270 234 H ASP 27 H ASP 27 17.114 5.815 -24.784 235 HA ASP 27 HA ASP 27 19.007 4.334 -23.026 236 1HB ASP 27 3HB ASP 27 19.373 5.693 -25.462 237 2HB ASP 27 2HB ASP 27 20.159 6.659 -24.219 238 H MET 28 H MET 28 17.139 7.221 -23.400 239 HA MET 28 HA MET 28 18.343 8.882 -21.439 240 1HB MET 28 3HB MET 28 16.795 9.928 -22.854 241 2HB MET 28 2HB MET 28 15.607 8.673 -22.575 242 1HG MET 28 2HG MET 28 14.897 9.571 -20.613 243 2HG MET 28 1HG MET 28 16.506 10.127 -20.184 244 1HE MET 28 1HE MET 28 13.634 11.990 -23.188 245 2HE MET 28 2HE MET 28 13.921 10.295 -22.810 246 3HE MET 28 3HE MET 28 15.049 11.158 -23.851 247 H HIS 29 H HIS 29 16.690 5.984 -21.102 248 HA HIS 29 HA HIS 29 15.255 6.317 -18.750 249 1HB HIS 29 3HB HIS 29 14.869 4.119 -18.949 250 2HB HIS 29 2HB HIS 29 16.005 4.110 -20.299 251 HD1 HIS 29 HD1 HIS 29 15.612 2.922 -16.828 252 HD2 HIS 29 HD2 HIS 29 18.745 3.739 -19.417 253 HE1 HIS 29 HE1 HIS 29 17.694 1.968 -15.733 254 H ASN 30 H ASN 30 18.680 5.715 -19.147 255 HA ASN 30 HA ASN 30 19.786 5.024 -16.896 256 1HB ASN 30 3HB ASN 30 20.459 7.749 -18.030 257 2HB ASN 30 2HB ASN 30 21.523 6.740 -17.049 258 1HD2 ASN 30 1HD2 ASN 30 22.793 7.130 -19.282 259 2HD2 ASN 30 2HD2 ASN 30 22.583 5.905 -20.439 260 H SER 31 H SER 31 18.137 5.130 -15.239 261 HA SER 31 HA SER 31 16.948 6.158 -13.483 262 1HB SER 31 3HB SER 31 18.629 6.091 -12.008 263 2HB SER 31 2HB SER 31 19.797 6.455 -13.262 264 HG SER 31 HG SER 31 19.605 8.575 -12.859 265 H ASN 32 H ASN 32 16.780 7.503 -16.048 266 HA ASN 32 HA ASN 32 16.590 10.368 -15.221 267 1HB ASN 32 3HB ASN 32 17.626 9.029 -17.511 268 2HB ASN 32 2HB ASN 32 16.332 10.113 -18.000 269 1HD2 ASN 32 1HD2 ASN 32 19.015 10.580 -18.743 270 2HD2 ASN 32 2HD2 ASN 32 19.571 11.979 -17.941 271 H ILE 33 H ILE 33 15.002 7.996 -17.351 272 HA ILE 33 HA ILE 33 12.666 9.391 -17.943 273 HB ILE 33 HB ILE 33 13.038 6.442 -17.393 274 1HG1 ILE 33 2HG1 ILE 33 14.260 7.792 -19.283 275 2HG1 ILE 33 1HG1 ILE 33 13.502 6.247 -19.677 276 1HG2 ILE 33 1HG2 ILE 33 10.931 6.282 -18.871 277 2HG2 ILE 33 2HG2 ILE 33 10.681 7.987 -18.496 278 3HG2 ILE 33 3HG2 ILE 33 10.686 6.792 -17.199 279 1HD1 ILE 33 1HD1 ILE 33 12.896 8.007 -21.327 280 2HD1 ILE 33 2HD1 ILE 33 12.200 8.972 -20.024 281 3HD1 ILE 33 3HD1 ILE 33 11.478 7.421 -20.455 282 H SER 34 H SER 34 13.431 7.613 -14.994 283 HA SER 34 HA SER 34 10.897 7.591 -13.770 284 1HB SER 34 3HB SER 34 13.683 7.482 -12.907 285 2HB SER 34 2HB SER 34 12.636 8.249 -11.717 286 HG SER 34 HG SER 34 11.840 5.866 -12.986 287 H LYS 35 H LYS 35 13.330 10.188 -13.859 288 HA LYS 35 HA LYS 35 11.733 11.998 -12.287 289 1HB LYS 35 3HB LYS 35 13.954 12.674 -14.238 290 2HB LYS 35 2HB LYS 35 13.367 13.686 -12.918 291 1HG LYS 35 2HG LYS 35 14.505 10.926 -12.443 292 2HG LYS 35 1HG LYS 35 15.516 12.371 -12.459 293 1HD LYS 35 2HD LYS 35 14.995 12.298 -10.209 294 2HD LYS 35 1HD LYS 35 13.638 13.264 -10.790 295 1HE LYS 35 2HE LYS 35 12.126 11.565 -10.493 296 2HE LYS 35 1HE LYS 35 13.300 10.311 -10.892 297 1HZ LYS 35 1HZ LYS 35 12.556 10.462 -8.493 298 2HZ LYS 35 2HZ LYS 35 13.477 11.887 -8.394 299 3HZ LYS 35 3HZ LYS 35 14.230 10.409 -8.764 300 H ILE 36 H ILE 36 11.944 11.042 -15.580 301 HA ILE 36 HA ILE 36 10.594 13.295 -16.730 302 HB ILE 36 HB ILE 36 11.275 10.555 -17.601 303 1HG1 ILE 36 2HG1 ILE 36 12.192 12.012 -19.550 304 2HG1 ILE 36 1HG1 ILE 36 11.888 13.367 -18.464 305 1HG2 ILE 36 1HG2 ILE 36 9.308 10.454 -18.760 306 2HG2 ILE 36 2HG2 ILE 36 10.162 11.523 -19.873 307 3HG2 ILE 36 3HG2 ILE 36 9.062 12.199 -18.672 308 1HD1 ILE 36 1HD1 ILE 36 14.184 12.640 -18.161 309 2HD1 ILE 36 2HD1 ILE 36 13.664 10.973 -17.918 310 3HD1 ILE 36 3HD1 ILE 36 13.266 12.204 -16.719 311 H LEU 37 H LEU 37 9.547 9.996 -15.992 312 HA LEU 37 HA LEU 37 6.789 10.273 -16.479 313 1HB LEU 37 3HB LEU 37 8.292 8.685 -14.403 314 2HB LEU 37 2HB LEU 37 6.575 8.514 -14.716 315 HG LEU 37 HG LEU 37 8.769 8.130 -16.762 316 1HD1 LEU 37 1HD1 LEU 37 7.085 5.848 -16.126 317 2HD1 LEU 37 2HD1 LEU 37 7.934 6.446 -14.701 318 3HD1 LEU 37 3HD1 LEU 37 8.844 5.972 -16.135 319 1HD2 LEU 37 1HD2 LEU 37 6.809 8.839 -17.929 320 2HD2 LEU 37 2HD2 LEU 37 5.750 7.899 -16.880 321 3HD2 LEU 37 3HD2 LEU 37 6.796 7.081 -18.035 322 H GLY 38 H GLY 38 8.450 10.450 -13.346 323 1HA GLY 38 2HA GLY 38 6.271 11.422 -11.822 324 2HA GLY 38 1HA GLY 38 7.966 11.686 -11.406 325 H SER 39 H SER 39 8.059 12.962 -14.275 326 HA SER 39 HA SER 39 7.295 15.640 -13.315 327 1HB SER 39 3HB SER 39 9.160 14.684 -15.492 328 2HB SER 39 2HB SER 39 8.652 16.366 -15.376 329 HG SER 39 HG SER 39 9.994 14.825 -13.401 330 H ARG 40 H ARG 40 6.458 13.098 -15.394 331 HA ARG 40 HA ARG 40 4.850 14.762 -17.186 332 1HB ARG 40 3HB ARG 40 5.665 11.925 -16.947 333 2HB ARG 40 2HB ARG 40 4.234 12.302 -17.872 334 1HG ARG 40 2HG ARG 40 6.479 14.086 -18.450 335 2HG ARG 40 1HG ARG 40 6.827 12.399 -18.826 336 1HD ARG 40 2HD ARG 40 4.833 12.253 -20.197 337 2HD ARG 40 1HD ARG 40 4.363 13.892 -19.761 338 HE ARG 40 HE ARG 40 6.791 14.350 -20.862 339 1HH1 ARG 40 1HH1 ARG 40 3.809 13.931 -22.127 340 2HH1 ARG 40 2HH1 ARG 40 4.307 13.338 -23.677 341 1HH2 ARG 40 1HH2 ARG 40 7.617 12.897 -22.742 342 2HH2 ARG 40 2HH2 ARG 40 6.462 12.753 -24.024 343 H TRP 41 H TRP 41 4.740 12.682 -14.443 344 HA TRP 41 HA TRP 41 1.949 12.242 -14.179 345 1HB TRP 41 3HB TRP 41 3.812 11.102 -12.929 346 2HB TRP 41 2HB TRP 41 4.009 12.581 -12.000 347 HD1 TRP 41 HD1 TRP 41 2.609 12.676 -9.877 348 HE1 TRP 41 HE1 TRP 41 0.442 11.519 -9.030 349 HE3 TRP 41 HE3 TRP 41 1.403 10.053 -14.013 350 HZ2 TRP 41 HZ2 TRP 41 -1.553 9.681 -10.053 351 HZ3 TRP 41 HZ3 TRP 41 -0.605 8.609 -14.076 352 HH2 TRP 41 HH2 TRP 41 -2.082 8.439 -12.160 353 H LYS 42 H LYS 42 4.046 14.531 -12.412 354 HA LYS 42 HA LYS 42 1.877 15.976 -11.256 355 1HB LYS 42 3HB LYS 42 4.763 16.218 -11.392 356 2HB LYS 42 2HB LYS 42 4.010 17.794 -11.640 357 1HG LYS 42 2HG LYS 42 2.599 17.359 -9.604 358 2HG LYS 42 1HG LYS 42 3.554 15.905 -9.320 359 1HD LYS 42 2HD LYS 42 4.477 17.724 -7.987 360 2HD LYS 42 1HD LYS 42 5.615 17.322 -9.274 361 1HE LYS 42 2HE LYS 42 5.081 19.243 -10.519 362 2HE LYS 42 1HE LYS 42 3.541 19.468 -9.689 363 1HZ LYS 42 1HZ LYS 42 6.225 19.790 -8.460 364 2HZ LYS 42 2HZ LYS 42 4.736 20.030 -7.676 365 3HZ LYS 42 3HZ LYS 42 5.207 21.058 -8.944 366 H ALA 43 H ALA 43 3.308 15.882 -14.355 367 HA ALA 43 HA ALA 43 2.299 18.431 -15.252 368 1HB ALA 43 1HB ALA 43 3.914 16.210 -16.360 369 2HB ALA 43 2HB ALA 43 4.158 17.952 -16.499 370 3HB ALA 43 3HB ALA 43 2.977 17.141 -17.529 371 H MET 44 H MET 44 0.961 15.378 -14.746 372 HA MET 44 HA MET 44 -0.898 15.382 -16.983 373 1HB MET 44 3HB MET 44 -1.743 13.373 -16.061 374 2HB MET 44 2HB MET 44 -0.017 13.323 -15.724 375 1HG MET 44 2HG MET 44 -0.526 13.060 -13.548 376 2HG MET 44 1HG MET 44 -1.159 14.705 -13.556 377 1HE MET 44 1HE MET 44 -2.978 11.068 -15.056 378 2HE MET 44 2HE MET 44 -2.951 10.728 -13.327 379 3HE MET 44 3HE MET 44 -1.469 11.211 -14.146 380 H THR 45 H THR 45 -3.282 14.681 -15.668 381 HA THR 45 HA THR 45 -3.900 17.203 -14.207 382 HB THR 45 HB THR 45 -6.230 16.862 -15.313 383 HG1 THR 45 HG1 THR 45 -6.240 15.160 -16.527 384 1HG2 THR 45 1HG2 THR 45 -4.021 18.398 -15.921 385 2HG2 THR 45 2HG2 THR 45 -5.614 18.586 -16.654 386 3HG2 THR 45 3HG2 THR 45 -4.378 17.623 -17.464 387 H ASN 46 H ASN 46 -3.921 16.311 -12.217 388 HA ASN 46 HA ASN 46 -4.426 13.969 -11.086 389 1HB ASN 46 3HB ASN 46 -4.325 16.056 -9.805 390 2HB ASN 46 2HB ASN 46 -5.972 16.443 -10.301 391 1HD2 ASN 46 1HD2 ASN 46 -5.287 16.114 -7.531 392 2HD2 ASN 46 2HD2 ASN 46 -6.067 14.723 -6.950 393 H LEU 47 H LEU 47 -7.080 15.810 -12.590 394 HA LEU 47 HA LEU 47 -9.204 14.058 -11.854 395 1HB LEU 47 3HB LEU 47 -9.225 16.375 -13.118 396 2HB LEU 47 2HB LEU 47 -9.158 15.359 -14.559 397 HG LEU 47 HG LEU 47 -11.113 14.471 -12.537 398 1HD1 LEU 47 1HD1 LEU 47 -11.553 17.048 -14.076 399 2HD1 LEU 47 2HD1 LEU 47 -11.327 16.933 -12.331 400 3HD1 LEU 47 3HD1 LEU 47 -12.752 16.217 -13.084 401 1HD2 LEU 47 1HD2 LEU 47 -11.482 15.124 -15.470 402 2HD2 LEU 47 2HD2 LEU 47 -12.413 13.994 -14.487 403 3HD2 LEU 47 3HD2 LEU 47 -10.747 13.616 -14.925 404 H GLU 48 H GLU 48 -6.715 13.797 -14.285 405 HA GLU 48 HA GLU 48 -7.979 11.530 -15.641 406 1HB GLU 48 3HB GLU 48 -6.366 13.315 -16.650 407 2HB GLU 48 2HB GLU 48 -5.096 12.317 -15.944 408 1HG GLU 48 2HG GLU 48 -5.387 11.499 -18.166 409 2HG GLU 48 1HG GLU 48 -6.204 10.334 -17.125 410 H LYS 49 H LYS 49 -6.380 11.925 -12.746 411 HA LYS 49 HA LYS 49 -4.778 9.466 -12.842 412 1HB LYS 49 3HB LYS 49 -3.803 11.149 -11.523 413 2HB LYS 49 2HB LYS 49 -5.336 11.578 -10.768 414 1HG LYS 49 2HG LYS 49 -4.345 8.798 -10.349 415 2HG LYS 49 1HG LYS 49 -3.499 10.094 -9.502 416 1HD LYS 49 2HD LYS 49 -6.350 10.506 -9.329 417 2HD LYS 49 1HD LYS 49 -5.943 8.888 -8.764 418 1HE LYS 49 2HE LYS 49 -5.768 10.335 -6.857 419 2HE LYS 49 1HE LYS 49 -4.117 9.962 -7.356 420 1HZ LYS 49 1HZ LYS 49 -4.705 12.384 -6.887 421 2HZ LYS 49 2HZ LYS 49 -5.524 12.351 -8.376 422 3HZ LYS 49 3HZ LYS 49 -3.853 12.046 -8.312 423 H GLN 50 H GLN 50 -8.057 10.178 -12.170 424 HA GLN 50 HA GLN 50 -8.610 8.318 -10.088 425 1HB GLN 50 3HB GLN 50 -10.647 8.615 -12.233 426 2HB GLN 50 2HB GLN 50 -10.826 8.712 -10.485 427 1HG GLN 50 2HG GLN 50 -9.386 10.889 -10.735 428 2HG GLN 50 1HG GLN 50 -9.936 10.817 -12.404 429 1HE2 GLN 50 1HE2 GLN 50 -11.346 10.527 -9.096 430 2HE2 GLN 50 2HE2 GLN 50 -12.772 11.364 -9.476 431 HA PRO 51 HA PRO 51 -9.427 5.091 -13.540 432 1HB PRO 51 3HB PRO 51 -8.201 5.526 -15.951 433 2HB PRO 51 2HB PRO 51 -9.844 6.036 -15.559 434 1HG PRO 51 2HG PRO 51 -7.379 7.692 -15.773 435 2HG PRO 51 1HG PRO 51 -9.068 8.157 -16.037 436 1HD PRO 51 2HD PRO 51 -7.550 8.706 -13.730 437 2HD PRO 51 1HD PRO 51 -9.316 8.841 -13.860 438 H TYR 52 H TYR 52 -6.209 6.600 -14.060 439 HA TYR 52 HA TYR 52 -4.818 4.091 -14.249 440 1HB TYR 52 3HB TYR 52 -3.607 6.608 -13.112 441 2HB TYR 52 2HB TYR 52 -2.823 5.358 -14.077 442 HD1 TYR 52 HD1 TYR 52 -4.564 4.936 -16.315 443 HD2 TYR 52 HD2 TYR 52 -3.605 8.598 -14.298 444 HE1 TYR 52 HE1 TYR 52 -5.095 6.201 -18.369 445 HE2 TYR 52 HE2 TYR 52 -4.132 9.872 -16.349 446 HH TYR 52 HH TYR 52 -4.880 8.229 -19.393 447 H TYR 53 H TYR 53 -6.381 5.689 -11.703 448 HA TYR 53 HA TYR 53 -4.655 4.743 -9.581 449 1HB TYR 53 3HB TYR 53 -6.842 6.513 -9.811 450 2HB TYR 53 2HB TYR 53 -7.336 5.251 -8.686 451 HD1 TYR 53 HD1 TYR 53 -4.212 7.159 -9.488 452 HD2 TYR 53 HD2 TYR 53 -6.841 5.673 -6.439 453 HE1 TYR 53 HE1 TYR 53 -2.753 8.153 -7.752 454 HE2 TYR 53 HE2 TYR 53 -5.386 6.669 -4.700 455 HH TYR 53 HH TYR 53 -3.340 7.578 -4.315 456 H GLU 54 H GLU 54 -8.007 3.849 -10.452 457 HA GLU 54 HA GLU 54 -8.203 1.562 -8.872 458 1HB GLU 54 3HB GLU 54 -9.882 0.767 -10.466 459 2HB GLU 54 2HB GLU 54 -10.065 2.501 -10.233 460 1HG GLU 54 2HG GLU 54 -8.909 2.971 -12.300 461 2HG GLU 54 1HG GLU 54 -8.474 1.273 -12.498 462 H GLU 55 H GLU 55 -6.381 2.037 -11.819 463 HA GLU 55 HA GLU 55 -5.959 -0.704 -12.476 464 1HB GLU 55 3HB GLU 55 -4.562 1.843 -13.024 465 2HB GLU 55 2HB GLU 55 -3.679 0.355 -13.328 466 1HG GLU 55 2HG GLU 55 -6.460 0.375 -14.321 467 2HG GLU 55 1HG GLU 55 -5.384 1.521 -15.121 468 H GLN 56 H GLN 56 -4.741 1.347 -9.968 469 HA GLN 56 HA GLN 56 -2.447 -0.343 -9.325 470 1HB GLN 56 3HB GLN 56 -2.063 1.159 -7.572 471 2HB GLN 56 2HB GLN 56 -2.720 2.165 -8.841 472 1HG GLN 56 2HG GLN 56 -4.036 2.919 -7.143 473 2HG GLN 56 1HG GLN 56 -4.992 1.504 -7.533 474 1HE2 GLN 56 1HE2 GLN 56 -4.320 2.948 -4.863 475 2HE2 GLN 56 2HE2 GLN 56 -3.828 1.681 -3.844 476 H ALA 57 H ALA 57 -5.704 0.124 -8.287 477 HA ALA 57 HA ALA 57 -5.766 -1.476 -5.973 478 1HB ALA 57 1HB ALA 57 -7.914 -0.797 -6.079 479 2HB ALA 57 2HB ALA 57 -8.182 -1.952 -7.386 480 3HB ALA 57 3HB ALA 57 -7.693 -0.298 -7.756 481 H ARG 58 H ARG 58 -5.781 -2.314 -9.385 482 HA ARG 58 HA ARG 58 -6.381 -5.123 -9.005 483 1HB ARG 58 3HB ARG 58 -4.738 -4.087 -11.304 484 2HB ARG 58 2HB ARG 58 -5.960 -5.358 -11.302 485 1HG ARG 58 2HG ARG 58 -7.628 -3.480 -10.682 486 2HG ARG 58 1HG ARG 58 -6.364 -2.371 -11.214 487 1HD ARG 58 2HD ARG 58 -7.380 -2.659 -13.245 488 2HD ARG 58 1HD ARG 58 -6.353 -4.094 -13.296 489 HE ARG 58 HE ARG 58 -9.232 -4.100 -13.114 490 1HH1 ARG 58 1HH1 ARG 58 -8.718 -5.362 -10.535 491 2HH1 ARG 58 2HH1 ARG 58 -8.442 -7.023 -10.941 492 1HH2 ARG 58 1HH2 ARG 58 -7.859 -6.379 -14.300 493 2HH2 ARG 58 2HH2 ARG 58 -7.954 -7.599 -13.075 494 H LEU 59 H LEU 59 -3.458 -3.172 -9.239 495 HA LEU 59 HA LEU 59 -1.611 -5.386 -9.108 496 1HB LEU 59 3HB LEU 59 -0.925 -2.648 -8.080 497 2HB LEU 59 2HB LEU 59 0.058 -3.760 -9.027 498 HG LEU 59 HG LEU 59 -2.254 -2.069 -9.989 499 1HD1 LEU 59 1HD1 LEU 59 -0.413 -1.470 -11.697 500 2HD1 LEU 59 2HD1 LEU 59 0.704 -2.237 -10.569 501 3HD1 LEU 59 3HD1 LEU 59 -0.236 -0.833 -10.062 502 1HD2 LEU 59 1HD2 LEU 59 -1.279 -3.357 -12.208 503 2HD2 LEU 59 2HD2 LEU 59 -2.728 -3.849 -11.333 504 3HD2 LEU 59 3HD2 LEU 59 -1.186 -4.633 -10.994 505 H SER 60 H SER 60 -3.627 -3.867 -6.789 506 HA SER 60 HA SER 60 -1.934 -4.444 -4.473 507 1HB SER 60 3HB SER 60 -4.392 -3.024 -4.982 508 2HB SER 60 2HB SER 60 -4.637 -4.169 -3.665 509 HG SER 60 HG SER 60 -3.279 -1.845 -3.688 510 H LYS 61 H LYS 61 -4.674 -5.902 -6.131 511 HA LYS 61 HA LYS 61 -5.030 -8.047 -4.225 512 1HB LYS 61 3HB LYS 61 -6.762 -7.212 -5.872 513 2HB LYS 61 2HB LYS 61 -5.832 -8.010 -7.142 514 1HG LYS 61 2HG LYS 61 -7.653 -9.474 -6.322 515 2HG LYS 61 1HG LYS 61 -6.069 -10.168 -5.973 516 1HD LYS 61 2HD LYS 61 -6.349 -9.984 -3.730 517 2HD LYS 61 1HD LYS 61 -7.069 -8.381 -3.862 518 1HE LYS 61 2HE LYS 61 -8.794 -9.819 -3.032 519 2HE LYS 61 1HE LYS 61 -9.170 -9.526 -4.730 520 1HZ LYS 61 1HZ LYS 61 -9.197 -11.928 -3.801 521 2HZ LYS 61 2HZ LYS 61 -7.511 -11.838 -3.987 522 3HZ LYS 61 3HZ LYS 61 -8.529 -11.631 -5.333 523 H GLN 62 H GLN 62 -3.361 -7.740 -7.346 524 HA GLN 62 HA GLN 62 -2.452 -10.488 -7.372 525 1HB GLN 62 3HB GLN 62 -1.385 -8.053 -8.839 526 2HB GLN 62 2HB GLN 62 -0.947 -9.725 -9.191 527 1HG GLN 62 2HG GLN 62 -3.366 -10.218 -9.612 528 2HG GLN 62 1HG GLN 62 -3.711 -8.501 -9.404 529 1HE2 GLN 62 1HE2 GLN 62 -2.141 -10.863 -11.535 530 2HE2 GLN 62 2HE2 GLN 62 -1.941 -9.807 -12.848 531 H HIS 63 H HIS 63 -0.858 -7.387 -6.561 532 HA HIS 63 HA HIS 63 1.691 -8.267 -5.924 533 1HB HIS 63 3HB HIS 63 0.959 -5.909 -5.703 534 2HB HIS 63 2HB HIS 63 0.045 -6.341 -4.257 535 HD1 HIS 63 HD1 HIS 63 3.059 -8.316 -4.348 536 HD2 HIS 63 HD2 HIS 63 2.135 -4.441 -3.113 537 HE1 HIS 63 HE1 HIS 63 4.958 -7.568 -2.850 538 H LEU 64 H LEU 64 -0.750 -7.882 -3.356 539 HA LEU 64 HA LEU 64 0.519 -9.395 -1.403 540 1HB LEU 64 3HB LEU 64 -2.346 -8.814 -2.025 541 2HB LEU 64 2HB LEU 64 -1.991 -10.025 -0.797 542 HG LEU 64 HG LEU 64 -0.438 -7.501 -0.628 543 1HD1 LEU 64 1HD1 LEU 64 -2.168 -6.088 -0.317 544 2HD1 LEU 64 2HD1 LEU 64 -2.985 -7.230 0.751 545 3HD1 LEU 64 3HD1 LEU 64 -3.212 -7.339 -0.995 546 1HD2 LEU 64 1HD2 LEU 64 -0.271 -8.119 1.570 547 2HD2 LEU 64 2HD2 LEU 64 -0.723 -9.702 0.938 548 3HD2 LEU 64 3HD2 LEU 64 -1.949 -8.653 1.652 549 H GLU 65 H GLU 65 -1.529 -10.558 -4.042 550 HA GLU 65 HA GLU 65 -1.556 -13.292 -3.261 551 1HB GLU 65 3HB GLU 65 -2.024 -11.803 -5.817 552 2HB GLU 65 2HB GLU 65 -1.868 -13.560 -5.870 553 1HG GLU 65 2HG GLU 65 -3.566 -13.344 -3.789 554 2HG GLU 65 1HG GLU 65 -4.011 -11.883 -4.672 555 H LYS 66 H LYS 66 0.969 -11.327 -4.361 556 HA LYS 66 HA LYS 66 2.461 -13.497 -5.672 557 1HB LYS 66 3HB LYS 66 3.094 -10.603 -5.066 558 2HB LYS 66 2HB LYS 66 4.251 -11.704 -5.797 559 1HG LYS 66 2HG LYS 66 2.317 -12.207 -7.487 560 2HG LYS 66 1HG LYS 66 1.668 -10.668 -6.922 561 1HD LYS 66 2HD LYS 66 3.092 -9.583 -8.278 562 2HD LYS 66 1HD LYS 66 4.448 -10.285 -7.394 563 1HE LYS 66 2HE LYS 66 4.795 -11.925 -8.959 564 2HE LYS 66 1HE LYS 66 3.081 -12.060 -9.349 565 1HZ LYS 66 1HZ LYS 66 4.148 -11.088 -11.205 566 2HZ LYS 66 2HZ LYS 66 4.979 -9.962 -10.240 567 3HZ LYS 66 3HZ LYS 66 3.295 -9.839 -10.437 568 H TYR 67 H TYR 67 2.596 -11.602 -2.678 569 HA TYR 67 HA TYR 67 4.696 -13.480 -1.672 570 1HB TYR 67 3HB TYR 67 3.988 -10.647 -0.867 571 2HB TYR 67 2HB TYR 67 5.081 -11.666 0.061 572 HD1 TYR 67 HD1 TYR 67 6.289 -9.280 -0.753 573 HD2 TYR 67 HD2 TYR 67 5.620 -12.795 -3.131 574 HE1 TYR 67 HE1 TYR 67 8.161 -8.632 -2.244 575 HE2 TYR 67 HE2 TYR 67 7.489 -12.145 -4.621 576 HH TYR 67 HH TYR 67 9.764 -9.854 -3.817 577 HA PRO 68 HA PRO 68 0.938 -14.551 0.721 578 1HB PRO 68 3HB PRO 68 1.419 -17.247 0.660 579 2HB PRO 68 2HB PRO 68 0.533 -16.388 -0.609 580 1HG PRO 68 2HG PRO 68 3.322 -17.447 -0.657 581 2HG PRO 68 1HG PRO 68 2.194 -17.195 -2.000 582 1HD PRO 68 2HD PRO 68 4.348 -15.499 -1.324 583 2HD PRO 68 1HD PRO 68 2.999 -15.090 -2.405 584 H ASP 69 H ASP 69 3.561 -16.887 1.141 585 HA ASP 69 HA ASP 69 3.517 -16.420 4.017 586 1HB ASP 69 3HB ASP 69 4.559 -18.524 2.205 587 2HB ASP 69 2HB ASP 69 5.416 -18.300 3.730 588 H TYR 70 H TYR 70 4.570 -14.178 2.639 589 HA TYR 70 HA TYR 70 7.400 -14.207 2.398 590 1HB TYR 70 3HB TYR 70 5.930 -12.373 1.548 591 2HB TYR 70 2HB TYR 70 5.655 -11.865 3.214 592 HD1 TYR 70 HD1 TYR 70 7.823 -11.615 0.365 593 HD2 TYR 70 HD2 TYR 70 7.727 -11.306 4.648 594 HE1 TYR 70 HE1 TYR 70 9.933 -10.311 0.318 595 HE2 TYR 70 HE2 TYR 70 9.836 -10.002 4.601 596 HH TYR 70 HH TYR 70 11.126 -8.695 1.734 Start of MODEL 27 1 HA PRO 1 HA PRO 1 11.178 -9.692 -11.713 2 1HB PRO 1 3HB PRO 1 10.956 -7.063 -10.592 3 2HB PRO 1 2HB PRO 1 12.287 -7.731 -11.547 4 1HG PRO 1 2HG PRO 1 10.344 -5.784 -12.353 5 2HG PRO 1 1HG PRO 1 11.678 -6.456 -13.303 6 1HD PRO 1 2HD PRO 1 8.880 -6.981 -13.595 7 2HD PRO 1 1HD PRO 1 10.217 -7.658 -14.529 8 H HIS 2 H HIS 2 11.099 -8.760 -9.162 9 HA HIS 2 HA HIS 2 8.291 -8.967 -8.221 10 1HB HIS 2 3HB HIS 2 9.281 -10.622 -6.430 11 2HB HIS 2 2HB HIS 2 8.799 -11.235 -8.011 12 HD1 HIS 2 HD1 HIS 2 11.980 -9.634 -6.606 13 HD2 HIS 2 HD2 HIS 2 10.805 -12.817 -9.028 14 HE1 HIS 2 HE1 HIS 2 14.104 -10.817 -7.315 15 H ILE 3 H ILE 3 9.069 -6.617 -7.899 16 HA ILE 3 HA ILE 3 10.583 -6.412 -5.327 17 HB ILE 3 HB ILE 3 10.399 -3.837 -6.438 18 1HG1 ILE 3 2HG1 ILE 3 10.944 -5.963 -8.515 19 2HG1 ILE 3 1HG1 ILE 3 9.800 -4.625 -8.612 20 1HG2 ILE 3 1HG2 ILE 3 12.723 -3.918 -6.309 21 2HG2 ILE 3 2HG2 ILE 3 12.798 -5.591 -6.861 22 3HG2 ILE 3 3HG2 ILE 3 12.273 -5.227 -5.217 23 1HD1 ILE 3 1HD1 ILE 3 11.431 -3.502 -9.710 24 2HD1 ILE 3 2HD1 ILE 3 12.663 -4.669 -9.229 25 3HD1 ILE 3 3HD1 ILE 3 12.222 -3.353 -8.140 26 H LYS 4 H LYS 4 9.640 -5.303 -3.642 27 HA LYS 4 HA LYS 4 6.747 -4.817 -3.859 28 1HB LYS 4 3HB LYS 4 7.024 -4.311 -1.380 29 2HB LYS 4 2HB LYS 4 7.450 -5.948 -1.866 30 1HG LYS 4 2HG LYS 4 9.738 -5.565 -1.638 31 2HG LYS 4 1HG LYS 4 9.566 -3.821 -1.846 32 1HD LYS 4 2HD LYS 4 8.376 -3.729 0.356 33 2HD LYS 4 1HD LYS 4 8.733 -5.443 0.574 34 1HE LYS 4 2HE LYS 4 11.139 -4.049 -0.182 35 2HE LYS 4 1HE LYS 4 10.405 -3.246 1.206 36 1HZ LYS 4 1HZ LYS 4 11.126 -6.114 0.970 37 2HZ LYS 4 2HZ LYS 4 10.224 -5.469 2.257 38 3HZ LYS 4 3HZ LYS 4 11.825 -4.963 2.001 39 H ARG 5 H ARG 5 7.207 -2.956 -5.405 40 HA ARG 5 HA ARG 5 8.222 -0.532 -4.034 41 1HB ARG 5 3HB ARG 5 8.298 0.483 -6.227 42 2HB ARG 5 2HB ARG 5 9.017 -1.124 -6.342 43 1HG ARG 5 2HG ARG 5 6.621 -1.910 -6.974 44 2HG ARG 5 1HG ARG 5 6.311 -0.203 -7.295 45 1HD ARG 5 2HD ARG 5 7.211 -0.539 -9.337 46 2HD ARG 5 1HD ARG 5 8.769 -0.693 -8.526 47 HE ARG 5 HE ARG 5 8.663 -3.031 -8.876 48 1HH1 ARG 5 1HH2 ARG 5 6.517 -1.783 -10.945 49 2HH1 ARG 5 2HH2 ARG 5 5.356 -3.068 -10.890 50 1HH2 ARG 5 1HH1 ARG 5 6.776 -4.585 -8.112 51 2HH2 ARG 5 2HH1 ARG 5 5.504 -4.655 -9.286 52 HA PRO 6 HA PRO 6 3.878 0.452 -3.408 53 1HB PRO 6 3HB PRO 6 4.395 2.501 -1.643 54 2HB PRO 6 2HB PRO 6 4.350 0.794 -1.167 55 1HG PRO 6 2HG PRO 6 6.712 2.577 -1.547 56 2HG PRO 6 1HG PRO 6 6.533 1.158 -0.503 57 1HD PRO 6 2HD PRO 6 7.869 1.201 -2.987 58 2HD PRO 6 1HD PRO 6 7.342 -0.252 -2.121 59 H MET 7 H MET 7 3.823 1.239 -5.618 60 HA MET 7 HA MET 7 4.515 4.062 -5.987 61 1HB MET 7 3HB MET 7 4.083 1.837 -7.913 62 2HB MET 7 2HB MET 7 4.334 3.503 -8.395 63 1HG MET 7 2HG MET 7 6.298 2.506 -6.451 64 2HG MET 7 1HG MET 7 6.350 1.689 -8.006 65 1HE MET 7 1HE MET 7 5.130 5.315 -7.262 66 2HE MET 7 2HE MET 7 6.635 6.228 -7.344 67 3HE MET 7 3HE MET 7 6.419 5.010 -6.090 68 H ASN 8 H ASN 8 2.542 3.701 -8.398 69 HA ASN 8 HA ASN 8 -0.010 3.277 -7.298 70 1HB ASN 8 3HB ASN 8 -0.023 4.931 -5.795 71 2HB ASN 8 2HB ASN 8 1.366 5.686 -6.522 72 1HD2 ASN 8 1HD2 ASN 8 1.022 7.652 -7.589 73 2HD2 ASN 8 2HD2 ASN 8 -0.505 8.237 -8.048 74 H ALA 9 H ALA 9 -1.557 5.123 -8.662 75 HA ALA 9 HA ALA 9 -1.650 4.278 -11.257 76 1HB ALA 9 1HB ALA 9 -3.449 5.638 -10.616 77 2HB ALA 9 2HB ALA 9 -2.568 6.686 -11.725 78 3HB ALA 9 3HB ALA 9 -2.391 6.898 -9.984 79 H PHE 10 H PHE 10 0.639 6.455 -9.843 80 HA PHE 10 HA PHE 10 1.510 7.707 -12.210 81 1HB PHE 10 3HB PHE 10 2.161 8.753 -10.280 82 2HB PHE 10 2HB PHE 10 2.638 7.254 -9.501 83 HD1 PHE 10 HD1 PHE 10 3.517 9.216 -12.575 84 HD2 PHE 10 HD2 PHE 10 4.927 6.895 -9.249 85 HE1 PHE 10 HE1 PHE 10 5.848 9.565 -13.316 86 HE2 PHE 10 HE2 PHE 10 7.266 7.252 -9.991 87 HZ PHE 10 HZ PHE 10 7.728 8.587 -12.030 88 H MET 11 H MET 11 3.317 5.219 -10.377 89 HA MET 11 HA MET 11 5.044 4.607 -12.570 90 1HB MET 11 3HB MET 11 5.872 2.858 -11.262 91 2HB MET 11 2HB MET 11 5.172 3.887 -10.020 92 1HG MET 11 2HG MET 11 3.412 2.428 -9.614 93 2HG MET 11 1HG MET 11 3.406 1.795 -11.250 94 1HE MET 11 1HE MET 11 3.053 -0.202 -10.867 95 2HE MET 11 2HE MET 11 3.443 -0.973 -9.332 96 3HE MET 11 3HE MET 11 4.343 -1.410 -10.782 97 H VAL 12 H VAL 12 1.789 3.985 -11.897 98 HA VAL 12 HA VAL 12 1.504 1.618 -13.527 99 HB VAL 12 HB VAL 12 -0.316 3.600 -12.194 100 1HG1 VAL 12 1HG1 VAL 12 -1.376 2.819 -14.289 101 2HG1 VAL 12 2HG1 VAL 12 -2.244 2.290 -12.849 102 3HG1 VAL 12 3HG1 VAL 12 -1.213 1.156 -13.724 103 1HG2 VAL 12 1HG2 VAL 12 -0.545 0.776 -11.474 104 2HG2 VAL 12 2HG2 VAL 12 -0.274 2.180 -10.440 105 3HG2 VAL 12 3HG2 VAL 12 1.089 1.404 -11.246 106 H TRP 13 H TRP 13 0.689 5.043 -13.757 107 HA TRP 13 HA TRP 13 -0.177 4.723 -16.554 108 1HB TRP 13 3HB TRP 13 -1.370 6.458 -15.734 109 2HB TRP 13 2HB TRP 13 -0.232 6.740 -14.435 110 HD1 TRP 13 HD1 TRP 13 -1.489 8.144 -17.498 111 HE1 TRP 13 HE1 TRP 13 -0.071 10.154 -18.212 112 HE3 TRP 13 HE3 TRP 13 2.592 7.533 -14.506 113 HZ2 TRP 13 HZ2 TRP 13 2.459 11.345 -17.664 114 HZ3 TRP 13 HZ3 TRP 13 4.496 9.100 -14.626 115 HH2 TRP 13 HH2 TRP 13 4.431 11.013 -16.197 116 H ALA 14 H ALA 14 2.601 5.672 -14.756 117 HA ALA 14 HA ALA 14 4.069 6.896 -16.898 118 1HB ALA 14 1HB ALA 14 4.365 7.112 -14.343 119 2HB ALA 14 2HB ALA 14 5.813 7.050 -15.340 120 3HB ALA 14 3HB ALA 14 5.285 5.615 -14.466 121 H LYS 15 H LYS 15 3.500 3.563 -15.996 122 HA LYS 15 HA LYS 15 5.867 2.468 -17.122 123 1HB LYS 15 3HB LYS 15 3.121 1.424 -16.495 124 2HB LYS 15 2HB LYS 15 4.238 0.423 -17.427 125 1HG LYS 15 2HG LYS 15 5.260 1.727 -14.944 126 2HG LYS 15 1HG LYS 15 4.204 0.324 -14.773 127 1HD LYS 15 2HD LYS 15 5.704 -0.849 -16.452 128 2HD LYS 15 1HD LYS 15 6.822 0.500 -16.262 129 1HE LYS 15 2HE LYS 15 5.794 -1.100 -13.910 130 2HE LYS 15 1HE LYS 15 7.274 -1.523 -14.771 131 1HZ LYS 15 1HZ LYS 15 7.687 -0.106 -12.834 132 2HZ LYS 15 2HZ LYS 15 6.729 1.116 -13.526 133 3HZ LYS 15 3HZ LYS 15 8.174 0.636 -14.281 134 H ASP 16 H ASP 16 2.822 3.531 -18.414 135 HA ASP 16 HA ASP 16 3.548 2.557 -21.099 136 1HB ASP 16 3HB ASP 16 1.118 2.673 -19.966 137 2HB ASP 16 2HB ASP 16 1.160 4.298 -20.653 138 H GLU 17 H GLU 17 3.156 5.475 -19.214 139 HA GLU 17 HA GLU 17 3.634 7.373 -21.295 140 1HB GLU 17 3HB GLU 17 3.237 7.329 -18.468 141 2HB GLU 17 2HB GLU 17 4.676 8.287 -18.799 142 1HG GLU 17 2HG GLU 17 2.636 8.881 -20.739 143 2HG GLU 17 1HG GLU 17 1.980 9.045 -19.114 144 H ARG 18 H ARG 18 5.718 5.549 -19.117 145 HA ARG 18 HA ARG 18 8.161 6.851 -20.051 146 1HB ARG 18 3HB ARG 18 9.253 5.613 -18.426 147 2HB ARG 18 2HB ARG 18 7.629 5.621 -17.758 148 1HG ARG 18 2HG ARG 18 7.985 3.373 -17.628 149 2HG ARG 18 1HG ARG 18 7.464 3.411 -19.306 150 1HD ARG 18 2HD ARG 18 9.476 2.622 -19.932 151 2HD ARG 18 1HD ARG 18 10.232 4.068 -19.268 152 HE ARG 18 HE ARG 18 9.997 2.657 -17.016 153 1HH1 ARG 18 1HH1 ARG 18 11.226 1.932 -20.132 154 2HH1 ARG 18 2HH1 ARG 18 12.004 0.465 -19.639 155 1HH2 ARG 18 1HH2 ARG 18 10.805 0.614 -16.388 156 2HH2 ARG 18 2HH2 ARG 18 11.765 -0.282 -17.516 157 H ARG 19 H ARG 19 6.331 3.943 -20.691 158 HA ARG 19 HA ARG 19 8.230 2.744 -22.481 159 1HB ARG 19 3HB ARG 19 5.400 2.359 -21.693 160 2HB ARG 19 2HB ARG 19 5.788 1.857 -23.335 161 1HG ARG 19 2HG ARG 19 7.915 0.945 -21.720 162 2HG ARG 19 1HG ARG 19 6.435 0.546 -20.848 163 1HD ARG 19 2HD ARG 19 6.986 -0.135 -23.751 164 2HD ARG 19 1HD ARG 19 7.079 -1.269 -22.404 165 HE ARG 19 HE ARG 19 4.602 -0.788 -22.065 166 1HH1 ARG 19 1HH1 ARG 19 6.095 -1.424 -25.000 167 2HH1 ARG 19 2HH1 ARG 19 4.718 -1.053 -25.983 168 1HH2 ARG 19 1HH2 ARG 19 2.853 0.221 -23.352 169 2HH2 ARG 19 2HH2 ARG 19 2.881 -0.121 -25.049 170 H LYS 20 H LYS 20 5.542 4.989 -22.738 171 HA LYS 20 HA LYS 20 5.655 5.210 -25.597 172 1HB LYS 20 3HB LYS 20 4.428 7.014 -23.503 173 2HB LYS 20 2HB LYS 20 4.183 7.194 -25.243 174 1HG LYS 20 2HG LYS 20 3.689 4.499 -24.070 175 2HG LYS 20 1HG LYS 20 2.507 5.761 -23.728 176 1HD LYS 20 2HD LYS 20 1.944 6.028 -25.975 177 2HD LYS 20 1HD LYS 20 3.480 5.370 -26.539 178 1HE LYS 20 2HE LYS 20 1.545 3.637 -25.013 179 2HE LYS 20 1HE LYS 20 1.351 3.884 -26.749 180 1HZ LYS 20 1HZ LYS 20 3.437 2.461 -25.294 181 2HZ LYS 20 2HZ LYS 20 3.925 3.332 -26.669 182 3HZ LYS 20 3HZ LYS 20 2.741 2.120 -26.803 183 H ILE 21 H ILE 21 7.450 6.565 -23.011 184 HA ILE 21 HA ILE 21 8.478 8.718 -24.763 185 HB ILE 21 HB ILE 21 8.103 8.441 -21.915 186 1HG1 ILE 21 2HG1 ILE 21 8.899 10.944 -22.160 187 2HG1 ILE 21 1HG1 ILE 21 8.781 10.596 -23.886 188 1HG2 ILE 21 1HG2 ILE 21 10.875 9.409 -22.644 189 2HG2 ILE 21 2HG2 ILE 21 10.567 7.770 -22.068 190 3HG2 ILE 21 3HG2 ILE 21 10.203 9.151 -21.033 191 1HD1 ILE 21 1HD1 ILE 21 6.633 10.818 -21.849 192 2HD1 ILE 21 2HD1 ILE 21 6.436 9.540 -23.047 193 3HD1 ILE 21 3HD1 ILE 21 6.602 11.217 -23.566 194 H LEU 22 H LEU 22 9.488 5.843 -23.040 195 HA LEU 22 HA LEU 22 12.255 5.883 -23.595 196 1HB LEU 22 3HB LEU 22 10.677 4.225 -22.282 197 2HB LEU 22 2HB LEU 22 10.674 3.360 -23.815 198 HG LEU 22 HG LEU 22 13.215 3.588 -23.763 199 1HD1 LEU 22 1HD1 LEU 22 12.699 5.235 -21.648 200 2HD1 LEU 22 2HD1 LEU 22 14.246 4.432 -21.918 201 3HD1 LEU 22 3HD1 LEU 22 13.062 3.722 -20.820 202 1HD2 LEU 22 1HD2 LEU 22 11.366 1.809 -22.474 203 2HD2 LEU 22 2HD2 LEU 22 12.875 1.864 -21.563 204 3HD2 LEU 22 3HD2 LEU 22 12.890 1.429 -23.273 205 H GLN 23 H GLN 23 9.495 5.185 -25.557 206 HA GLN 23 HA GLN 23 10.772 3.828 -27.708 207 1HB GLN 23 3HB GLN 23 8.831 4.426 -28.995 208 2HB GLN 23 2HB GLN 23 8.285 4.064 -27.363 209 1HG GLN 23 2HG GLN 23 8.496 6.508 -26.863 210 2HG GLN 23 1HG GLN 23 8.772 6.770 -28.579 211 1HE2 GLN 23 1HE2 GLN 23 6.790 7.800 -29.155 212 2HE2 GLN 23 2HE2 GLN 23 5.269 7.070 -28.963 213 H ALA 24 H ALA 24 10.234 7.065 -26.830 214 HA ALA 24 HA ALA 24 11.555 8.204 -29.170 215 1HB ALA 24 1HB ALA 24 9.917 9.685 -28.534 216 2HB ALA 24 2HB ALA 24 11.227 10.317 -27.536 217 3HB ALA 24 3HB ALA 24 10.031 9.227 -26.835 218 H PHE 25 H PHE 25 12.373 7.121 -26.028 219 HA PHE 25 HA PHE 25 15.140 8.027 -26.427 220 1HB PHE 25 3HB PHE 25 13.730 8.483 -23.786 221 2HB PHE 25 2HB PHE 25 15.330 9.051 -24.271 222 HD1 PHE 25 HD1 PHE 25 15.520 10.721 -26.170 223 HD2 PHE 25 HD2 PHE 25 11.777 9.741 -24.307 224 HE1 PHE 25 HE1 PHE 25 14.516 12.786 -27.105 225 HE2 PHE 25 HE2 PHE 25 10.772 11.808 -25.242 226 HZ PHE 25 HZ PHE 25 12.141 13.329 -26.641 227 HA PRO 26 HA PRO 26 14.560 3.655 -25.014 228 1HB PRO 26 3HB PRO 26 16.250 2.668 -26.946 229 2HB PRO 26 2HB PRO 26 14.502 2.853 -27.159 230 1HG PRO 26 2HG PRO 26 16.721 4.592 -28.193 231 2HG PRO 26 1HG PRO 26 15.155 4.210 -28.934 232 1HD PRO 26 2HD PRO 26 15.678 6.604 -27.626 233 2HD PRO 26 1HD PRO 26 14.061 5.911 -27.805 234 H ASP 27 H ASP 27 16.972 5.983 -25.090 235 HA ASP 27 HA ASP 27 18.979 4.193 -23.824 236 1HB ASP 27 3HB ASP 27 19.236 6.294 -25.668 237 2HB ASP 27 2HB ASP 27 19.850 6.905 -24.137 238 H MET 28 H MET 28 16.772 6.793 -23.352 239 HA MET 28 HA MET 28 17.744 7.790 -20.888 240 1HB MET 28 3HB MET 28 15.612 8.417 -22.551 241 2HB MET 28 2HB MET 28 14.860 7.815 -21.079 242 1HG MET 28 2HG MET 28 15.899 9.444 -19.727 243 2HG MET 28 1HG MET 28 17.096 9.823 -20.964 244 1HE MET 28 1HE MET 28 15.172 11.370 -23.767 245 2HE MET 28 2HE MET 28 16.404 10.219 -23.257 246 3HE MET 28 3HE MET 28 16.588 11.926 -22.864 247 H HIS 29 H HIS 29 18.346 6.245 -19.675 248 HA HIS 29 HA HIS 29 17.124 3.810 -19.181 249 1HB HIS 29 3HB HIS 29 19.387 4.989 -18.443 250 2HB HIS 29 2HB HIS 29 18.479 5.183 -16.939 251 HD1 HIS 29 HD1 HIS 29 18.815 3.221 -15.425 252 HD2 HIS 29 HD2 HIS 29 18.813 2.178 -19.451 253 HE1 HIS 29 HE1 HIS 29 19.024 0.704 -15.482 254 H ASN 30 H ASN 30 15.621 3.060 -17.704 255 HA ASN 30 HA ASN 30 13.518 4.739 -16.838 256 1HB ASN 30 3HB ASN 30 12.740 2.873 -15.555 257 2HB ASN 30 2HB ASN 30 13.553 2.168 -16.953 258 1HD2 ASN 30 1HD2 ASN 30 15.809 1.344 -16.592 259 2HD2 ASN 30 2HD2 ASN 30 16.282 0.864 -15.034 260 H SER 31 H SER 31 16.658 4.081 -15.547 261 HA SER 31 HA SER 31 16.292 4.870 -12.843 262 1HB SER 31 3HB SER 31 18.713 5.331 -12.856 263 2HB SER 31 2HB SER 31 18.365 3.815 -13.683 264 HG SER 31 HG SER 31 19.058 6.332 -14.747 265 H ASN 32 H ASN 32 16.334 6.653 -15.811 266 HA ASN 32 HA ASN 32 16.348 9.219 -14.289 267 1HB ASN 32 3HB ASN 32 17.906 8.453 -16.477 268 2HB ASN 32 2HB ASN 32 16.696 9.561 -17.113 269 1HD2 ASN 32 1HD2 ASN 32 19.754 9.744 -16.168 270 2HD2 ASN 32 2HD2 ASN 32 19.763 11.222 -15.332 271 H ILE 33 H ILE 33 14.787 7.394 -16.895 272 HA ILE 33 HA ILE 33 12.870 9.286 -17.722 273 HB ILE 33 HB ILE 33 12.715 6.286 -17.412 274 1HG1 ILE 33 2HG1 ILE 33 14.124 7.656 -19.191 275 2HG1 ILE 33 1HG1 ILE 33 13.243 6.206 -19.673 276 1HG2 ILE 33 1HG2 ILE 33 10.666 6.777 -19.081 277 2HG2 ILE 33 2HG2 ILE 33 10.566 8.233 -18.091 278 3HG2 ILE 33 3HG2 ILE 33 10.446 6.644 -17.336 279 1HD1 ILE 33 1HD1 ILE 33 12.808 8.025 -21.265 280 2HD1 ILE 33 2HD1 ILE 33 12.254 9.062 -19.950 281 3HD1 ILE 33 3HD1 ILE 33 11.335 7.620 -20.384 282 H SER 34 H SER 34 13.211 7.564 -14.749 283 HA SER 34 HA SER 34 10.601 7.663 -13.670 284 1HB SER 34 3HB SER 34 13.358 7.570 -12.641 285 2HB SER 34 2HB SER 34 12.197 8.294 -11.534 286 HG SER 34 HG SER 34 12.527 5.864 -11.591 287 H LYS 35 H LYS 35 13.167 10.115 -13.734 288 HA LYS 35 HA LYS 35 11.638 12.096 -12.323 289 1HB LYS 35 3HB LYS 35 13.832 12.776 -14.265 290 2HB LYS 35 2HB LYS 35 13.445 13.545 -12.726 291 1HG LYS 35 2HG LYS 35 14.073 11.282 -11.650 292 2HG LYS 35 1HG LYS 35 14.820 10.900 -13.202 293 1HD LYS 35 2HD LYS 35 16.608 11.855 -12.038 294 2HD LYS 35 1HD LYS 35 15.968 13.242 -12.921 295 1HE LYS 35 2HE LYS 35 14.455 13.156 -10.569 296 2HE LYS 35 1HE LYS 35 16.102 12.795 -10.049 297 1HZ LYS 35 1HZ LYS 35 15.027 15.267 -10.783 298 2HZ LYS 35 2HZ LYS 35 16.198 14.855 -11.944 299 3HZ LYS 35 3HZ LYS 35 16.614 14.918 -10.298 300 H ILE 36 H ILE 36 11.974 11.001 -15.577 301 HA ILE 36 HA ILE 36 10.730 13.245 -16.859 302 HB ILE 36 HB ILE 36 11.328 10.442 -17.620 303 1HG1 ILE 36 2HG1 ILE 36 12.559 11.612 -19.452 304 2HG1 ILE 36 1HG1 ILE 36 12.028 13.150 -18.771 305 1HG2 ILE 36 1HG2 ILE 36 9.325 10.485 -18.780 306 2HG2 ILE 36 2HG2 ILE 36 10.367 11.284 -19.958 307 3HG2 ILE 36 3HG2 ILE 36 9.327 12.245 -18.906 308 1HD1 ILE 36 1HD1 ILE 36 13.432 11.153 -17.018 309 2HD1 ILE 36 2HD1 ILE 36 13.340 12.906 -16.853 310 3HD1 ILE 36 3HD1 ILE 36 14.372 12.190 -18.090 311 H LEU 37 H LEU 37 9.620 10.050 -15.872 312 HA LEU 37 HA LEU 37 6.863 10.361 -16.488 313 1HB LEU 37 3HB LEU 37 8.276 8.761 -14.353 314 2HB LEU 37 2HB LEU 37 6.569 8.616 -14.735 315 HG LEU 37 HG LEU 37 8.792 8.231 -16.747 316 1HD1 LEU 37 1HD1 LEU 37 8.152 6.573 -14.632 317 2HD1 LEU 37 2HD1 LEU 37 8.940 6.065 -16.127 318 3HD1 LEU 37 3HD1 LEU 37 7.191 5.911 -15.954 319 1HD2 LEU 37 1HD2 LEU 37 6.091 8.761 -17.128 320 2HD2 LEU 37 2HD2 LEU 37 6.165 7.000 -17.211 321 3HD2 LEU 37 3HD2 LEU 37 7.152 7.978 -18.299 322 H GLY 38 H GLY 38 8.537 10.611 -13.365 323 1HA GLY 38 2HA GLY 38 6.368 11.594 -11.844 324 2HA GLY 38 1HA GLY 38 8.062 11.909 -11.464 325 H SER 39 H SER 39 8.048 13.088 -14.396 326 HA SER 39 HA SER 39 7.219 15.770 -13.500 327 1HB SER 39 3HB SER 39 9.031 14.919 -15.775 328 2HB SER 39 2HB SER 39 8.618 16.589 -15.396 329 HG SER 39 HG SER 39 9.450 16.002 -13.208 330 H ARG 40 H ARG 40 6.496 13.149 -15.546 331 HA ARG 40 HA ARG 40 4.842 14.733 -17.378 332 1HB ARG 40 3HB ARG 40 5.760 11.929 -17.105 333 2HB ARG 40 2HB ARG 40 4.308 12.233 -18.028 334 1HG ARG 40 2HG ARG 40 6.272 14.173 -18.770 335 2HG ARG 40 1HG ARG 40 7.014 12.575 -18.849 336 1HD ARG 40 2HD ARG 40 5.312 11.770 -20.325 337 2HD ARG 40 1HD ARG 40 4.339 13.223 -20.098 338 HE ARG 40 HE ARG 40 6.836 14.072 -21.102 339 1HH1 ARG 40 1HH1 ARG 40 3.996 12.341 -22.005 340 2HH1 ARG 40 2HH1 ARG 40 4.263 12.530 -23.706 341 1HH2 ARG 40 1HH2 ARG 40 7.267 14.215 -23.322 342 2HH2 ARG 40 2HH2 ARG 40 6.113 13.589 -24.451 343 H TRP 41 H TRP 41 4.790 12.696 -14.609 344 HA TRP 41 HA TRP 41 2.000 12.183 -14.366 345 1HB TRP 41 3HB TRP 41 3.865 11.021 -13.152 346 2HB TRP 41 2HB TRP 41 4.070 12.479 -12.190 347 HD1 TRP 41 HD1 TRP 41 2.683 12.525 -10.052 348 HE1 TRP 41 HE1 TRP 41 0.501 11.376 -9.234 349 HE3 TRP 41 HE3 TRP 41 1.444 10.022 -14.250 350 HZ2 TRP 41 HZ2 TRP 41 -1.514 9.595 -10.298 351 HZ3 TRP 41 HZ3 TRP 41 -0.578 8.599 -14.342 352 HH2 TRP 41 HH2 TRP 41 -2.056 8.399 -12.429 353 H LYS 42 H LYS 42 4.077 14.453 -12.558 354 HA LYS 42 HA LYS 42 1.912 15.831 -11.330 355 1HB LYS 42 3HB LYS 42 4.745 16.710 -11.977 356 2HB LYS 42 2HB LYS 42 3.621 17.690 -11.034 357 1HG LYS 42 2HG LYS 42 3.501 15.108 -9.911 358 2HG LYS 42 1HG LYS 42 5.213 15.431 -10.180 359 1HD LYS 42 2HD LYS 42 3.249 17.128 -8.620 360 2HD LYS 42 1HD LYS 42 4.669 16.287 -7.997 361 1HE LYS 42 2HE LYS 42 5.921 18.102 -8.429 362 2HE LYS 42 1HE LYS 42 5.538 17.946 -10.144 363 1HZ LYS 42 1HZ LYS 42 3.469 19.172 -9.715 364 2HZ LYS 42 2HZ LYS 42 4.852 20.092 -9.355 365 3HZ LYS 42 3HZ LYS 42 3.942 19.395 -8.102 366 H ALA 43 H ALA 43 3.217 15.806 -14.480 367 HA ALA 43 HA ALA 43 2.213 18.385 -15.280 368 1HB ALA 43 1HB ALA 43 3.691 16.132 -16.521 369 2HB ALA 43 2HB ALA 43 4.005 17.865 -16.615 370 3HB ALA 43 3HB ALA 43 2.741 17.142 -17.610 371 H MET 44 H MET 44 0.692 15.568 -14.523 372 HA MET 44 HA MET 44 -1.192 15.438 -16.750 373 1HB MET 44 3HB MET 44 -1.141 14.082 -14.034 374 2HB MET 44 2HB MET 44 -2.314 13.739 -15.299 375 1HG MET 44 2HG MET 44 0.221 13.609 -16.533 376 2HG MET 44 1HG MET 44 0.361 12.724 -15.014 377 1HE MET 44 1HE MET 44 -2.672 10.316 -15.151 378 2HE MET 44 2HE MET 44 -2.906 12.022 -14.778 379 3HE MET 44 3HE MET 44 -1.491 11.177 -14.154 380 H THR 45 H THR 45 -3.341 14.974 -14.455 381 HA THR 45 HA THR 45 -3.751 17.789 -13.668 382 HB THR 45 HB THR 45 -6.230 17.169 -14.663 383 HG1 THR 45 HG1 THR 45 -4.505 16.552 -16.761 384 1HG2 THR 45 1HG2 THR 45 -5.533 18.744 -16.522 385 2HG2 THR 45 2HG2 THR 45 -3.889 18.644 -15.890 386 3HG2 THR 45 3HG2 THR 45 -5.176 19.325 -14.895 387 H ASN 46 H ASN 46 -3.697 14.740 -12.656 388 HA ASN 46 HA ASN 46 -4.584 13.759 -10.704 389 1HB ASN 46 3HB ASN 46 -4.726 16.355 -10.099 390 2HB ASN 46 2HB ASN 46 -6.454 16.048 -10.266 391 1HD2 ASN 46 1HD2 ASN 46 -4.648 16.494 -7.788 392 2HD2 ASN 46 2HD2 ASN 46 -5.035 15.190 -6.772 393 H LEU 47 H LEU 47 -7.154 15.679 -12.279 394 HA LEU 47 HA LEU 47 -9.219 13.754 -11.906 395 1HB LEU 47 3HB LEU 47 -9.806 16.005 -12.559 396 2HB LEU 47 2HB LEU 47 -8.834 15.889 -14.026 397 HG LEU 47 HG LEU 47 -10.961 13.835 -13.639 398 1HD1 LEU 47 1HD1 LEU 47 -12.017 16.160 -15.010 399 2HD1 LEU 47 2HD1 LEU 47 -11.573 16.568 -13.353 400 3HD1 LEU 47 3HD1 LEU 47 -12.709 15.256 -13.664 401 1HD2 LEU 47 1HD2 LEU 47 -9.464 15.183 -15.825 402 2HD2 LEU 47 2HD2 LEU 47 -11.135 14.750 -16.187 403 3HD2 LEU 47 3HD2 LEU 47 -9.988 13.504 -15.691 404 H GLU 48 H GLU 48 -6.582 13.947 -14.171 405 HA GLU 48 HA GLU 48 -7.736 11.964 -15.996 406 1HB GLU 48 3HB GLU 48 -5.419 13.733 -15.965 407 2HB GLU 48 2HB GLU 48 -5.006 12.110 -16.520 408 1HG GLU 48 2HG GLU 48 -5.702 13.387 -18.451 409 2HG GLU 48 1HG GLU 48 -6.978 12.225 -18.085 410 H LYS 49 H LYS 49 -6.261 11.828 -12.981 411 HA LYS 49 HA LYS 49 -4.774 9.338 -13.430 412 1HB LYS 49 3HB LYS 49 -5.521 10.578 -10.777 413 2HB LYS 49 2HB LYS 49 -4.176 9.502 -11.130 414 1HG LYS 49 2HG LYS 49 -3.185 11.239 -12.596 415 2HG LYS 49 1HG LYS 49 -4.508 12.325 -12.172 416 1HD LYS 49 2HD LYS 49 -3.855 12.290 -9.829 417 2HD LYS 49 1HD LYS 49 -2.616 11.081 -10.158 418 1HE LYS 49 2HE LYS 49 -2.664 13.986 -10.923 419 2HE LYS 49 1HE LYS 49 -1.375 13.065 -10.150 420 1HZ LYS 49 1HZ LYS 49 -2.237 12.980 -12.979 421 2HZ LYS 49 2HZ LYS 49 -1.267 11.766 -12.292 422 3HZ LYS 49 3HZ LYS 49 -0.706 13.368 -12.360 423 H GLN 50 H GLN 50 -8.015 9.962 -13.211 424 HA GLN 50 HA GLN 50 -8.979 8.121 -11.289 425 1HB GLN 50 3HB GLN 50 -10.357 8.638 -13.918 426 2HB GLN 50 2HB GLN 50 -11.077 8.314 -12.346 427 1HG GLN 50 2HG GLN 50 -9.359 10.607 -12.145 428 2HG GLN 50 1HG GLN 50 -10.494 10.829 -13.477 429 1HE2 GLN 50 1HE2 GLN 50 -11.601 12.489 -12.097 430 2HE2 GLN 50 2HE2 GLN 50 -12.653 11.983 -10.866 431 HA PRO 51 HA PRO 51 -9.090 4.849 -14.778 432 1HB PRO 51 3HB PRO 51 -7.457 5.272 -16.936 433 2HB PRO 51 2HB PRO 51 -9.149 5.768 -16.851 434 1HG PRO 51 2HG PRO 51 -6.699 7.450 -16.641 435 2HG PRO 51 1HG PRO 51 -8.316 7.892 -17.215 436 1HD PRO 51 2HD PRO 51 -7.252 8.489 -14.676 437 2HD PRO 51 1HD PRO 51 -8.966 8.594 -15.129 438 H TYR 52 H TYR 52 -5.906 6.455 -14.563 439 HA TYR 52 HA TYR 52 -4.512 3.886 -14.456 440 1HB TYR 52 3HB TYR 52 -3.305 6.432 -13.420 441 2HB TYR 52 2HB TYR 52 -2.542 5.125 -14.329 442 HD1 TYR 52 HD1 TYR 52 -3.184 8.392 -14.677 443 HD2 TYR 52 HD2 TYR 52 -4.230 4.703 -16.605 444 HE1 TYR 52 HE1 TYR 52 -3.607 9.615 -16.783 445 HE2 TYR 52 HE2 TYR 52 -4.656 5.922 -18.713 446 HH TYR 52 HH TYR 52 -5.099 8.083 -19.534 447 H TYR 53 H TYR 53 -6.502 5.497 -12.352 448 HA TYR 53 HA TYR 53 -5.002 4.904 -9.901 449 1HB TYR 53 3HB TYR 53 -7.361 6.419 -10.626 450 2HB TYR 53 2HB TYR 53 -7.685 5.381 -9.243 451 HD1 TYR 53 HD1 TYR 53 -5.262 5.221 -7.750 452 HD2 TYR 53 HD2 TYR 53 -6.829 8.588 -9.910 453 HE1 TYR 53 HE1 TYR 53 -3.963 6.754 -6.302 454 HE2 TYR 53 HE2 TYR 53 -5.529 10.119 -8.459 455 HH TYR 53 HH TYR 53 -3.818 8.963 -5.627 456 H GLU 54 H GLU 54 -8.057 3.708 -11.332 457 HA GLU 54 HA GLU 54 -8.357 1.545 -9.528 458 1HB GLU 54 3HB GLU 54 -9.332 2.074 -12.292 459 2HB GLU 54 2HB GLU 54 -9.772 0.611 -11.430 460 1HG GLU 54 2HG GLU 54 -11.462 2.403 -11.156 461 2HG GLU 54 1HG GLU 54 -10.733 1.938 -9.627 462 H GLU 55 H GLU 55 -6.703 1.835 -12.627 463 HA GLU 55 HA GLU 55 -6.073 -0.933 -12.936 464 1HB GLU 55 3HB GLU 55 -5.205 1.596 -14.122 465 2HB GLU 55 2HB GLU 55 -4.002 0.314 -14.181 466 1HG GLU 55 2HG GLU 55 -6.511 -0.843 -14.856 467 2HG GLU 55 1HG GLU 55 -6.349 0.637 -15.803 468 H GLN 56 H GLN 56 -4.984 1.380 -10.720 469 HA GLN 56 HA GLN 56 -2.352 0.156 -10.277 470 1HB GLN 56 3HB GLN 56 -2.267 2.404 -9.747 471 2HB GLN 56 2HB GLN 56 -3.892 2.412 -9.127 472 1HG GLN 56 2HG GLN 56 -2.313 2.667 -7.276 473 2HG GLN 56 1HG GLN 56 -3.129 1.108 -7.149 474 1HE2 GLN 56 1HE2 GLN 56 -0.723 1.230 -5.847 475 2HE2 GLN 56 2HE2 GLN 56 0.484 0.405 -6.712 476 H ALA 57 H ALA 57 -5.189 0.712 -8.266 477 HA ALA 57 HA ALA 57 -4.656 -1.093 -6.212 478 1HB ALA 57 1HB ALA 57 -7.043 0.195 -7.327 479 2HB ALA 57 2HB ALA 57 -6.599 -0.070 -5.641 480 3HB ALA 57 3HB ALA 57 -7.387 -1.355 -6.558 481 H ARG 58 H ARG 58 -5.634 -1.732 -9.505 482 HA ARG 58 HA ARG 58 -6.547 -4.443 -9.081 483 1HB ARG 58 3HB ARG 58 -5.760 -2.785 -11.446 484 2HB ARG 58 2HB ARG 58 -5.842 -4.537 -11.642 485 1HG ARG 58 2HG ARG 58 -8.150 -4.545 -10.811 486 2HG ARG 58 1HG ARG 58 -8.078 -2.801 -10.554 487 1HD ARG 58 2HD ARG 58 -8.634 -2.434 -12.702 488 2HD ARG 58 1HD ARG 58 -7.246 -3.378 -13.242 489 HE ARG 58 HE ARG 58 -9.095 -5.306 -12.546 490 1HH1 ARG 58 1HH1 ARG 58 -10.236 -2.417 -13.725 491 2HH1 ARG 58 2HH1 ARG 58 -10.904 -3.056 -15.190 492 1HH2 ARG 58 1HH2 ARG 58 -9.470 -6.189 -14.787 493 2HH2 ARG 58 2HH2 ARG 58 -10.470 -5.194 -15.792 494 H LEU 59 H LEU 59 -3.569 -3.228 -10.599 495 HA LEU 59 HA LEU 59 -2.203 -5.730 -10.510 496 1HB LEU 59 3HB LEU 59 -0.159 -4.323 -10.887 497 2HB LEU 59 2HB LEU 59 -1.462 -4.000 -12.026 498 HG LEU 59 HG LEU 59 -2.158 -2.165 -10.274 499 1HD1 LEU 59 1HD1 LEU 59 0.467 -3.109 -9.330 500 2HD1 LEU 59 2HD1 LEU 59 -0.769 -2.185 -8.476 501 3HD1 LEU 59 3HD1 LEU 59 0.371 -1.358 -9.536 502 1HD2 LEU 59 1HD2 LEU 59 -1.448 -0.834 -11.949 503 2HD2 LEU 59 2HD2 LEU 59 -0.564 -2.206 -12.617 504 3HD2 LEU 59 3HD2 LEU 59 0.234 -1.106 -11.493 505 H SER 60 H SER 60 -3.066 -3.684 -7.964 506 HA SER 60 HA SER 60 -0.698 -4.138 -6.308 507 1HB SER 60 3HB SER 60 -2.466 -2.209 -6.134 508 2HB SER 60 2HB SER 60 -3.415 -3.390 -5.238 509 HG SER 60 HG SER 60 -2.129 -2.257 -3.801 510 H LYS 61 H LYS 61 -3.967 -5.435 -6.609 511 HA LYS 61 HA LYS 61 -3.805 -7.338 -4.481 512 1HB LYS 61 3HB LYS 61 -5.790 -6.506 -6.090 513 2HB LYS 61 2HB LYS 61 -5.357 -7.990 -6.939 514 1HG LYS 61 2HG LYS 61 -6.299 -9.279 -5.344 515 2HG LYS 61 1HG LYS 61 -5.468 -8.401 -4.058 516 1HD LYS 61 2HD LYS 61 -7.529 -7.627 -3.512 517 2HD LYS 61 1HD LYS 61 -7.331 -6.558 -4.903 518 1HE LYS 61 2HE LYS 61 -9.207 -7.533 -5.711 519 2HE LYS 61 1HE LYS 61 -8.175 -8.918 -6.071 520 1HZ LYS 61 1HZ LYS 61 -10.261 -9.299 -4.671 521 2HZ LYS 61 2HZ LYS 61 -9.391 -8.577 -3.403 522 3HZ LYS 61 3HZ LYS 61 -8.810 -9.996 -4.135 523 H GLN 62 H GLN 62 -3.181 -7.597 -7.972 524 HA GLN 62 HA GLN 62 -2.316 -10.348 -7.865 525 1HB GLN 62 3HB GLN 62 -1.720 -8.173 -9.898 526 2HB GLN 62 2HB GLN 62 -1.390 -9.891 -10.128 527 1HG GLN 62 2HG GLN 62 -4.158 -9.146 -9.312 528 2HG GLN 62 1HG GLN 62 -3.676 -8.758 -10.965 529 1HE2 GLN 62 1HE2 GLN 62 -3.112 -10.561 -12.400 530 2HE2 GLN 62 2HE2 GLN 62 -3.540 -12.157 -12.011 531 H HIS 63 H HIS 63 -0.844 -7.327 -7.092 532 HA HIS 63 HA HIS 63 1.901 -7.903 -7.503 533 1HB HIS 63 3HB HIS 63 0.810 -5.697 -6.742 534 2HB HIS 63 2HB HIS 63 0.846 -6.379 -5.119 535 HD1 HIS 63 HD1 HIS 63 3.533 -6.755 -7.780 536 HD2 HIS 63 HD2 HIS 63 2.993 -4.967 -4.056 537 HE1 HIS 63 HE1 HIS 63 5.801 -5.870 -7.075 538 H LEU 64 H LEU 64 0.099 -8.195 -4.425 539 HA LEU 64 HA LEU 64 2.162 -9.736 -3.161 540 1HB LEU 64 3HB LEU 64 -0.776 -9.305 -2.591 541 2HB LEU 64 2HB LEU 64 0.202 -10.378 -1.598 542 HG LEU 64 HG LEU 64 -0.053 -7.870 -0.900 543 1HD1 LEU 64 1HD1 LEU 64 1.749 -9.830 -0.317 544 2HD1 LEU 64 2HD1 LEU 64 1.749 -8.238 0.440 545 3HD1 LEU 64 3HD1 LEU 64 2.819 -8.566 -0.922 546 1HD2 LEU 64 1HD2 LEU 64 1.676 -6.409 -1.861 547 2HD2 LEU 64 2HD2 LEU 64 0.568 -6.955 -3.118 548 3HD2 LEU 64 3HD2 LEU 64 2.163 -7.693 -2.967 549 H GLU 65 H GLU 65 -0.391 -10.563 -5.349 550 HA GLU 65 HA GLU 65 -0.391 -13.380 -4.707 551 1HB GLU 65 3HB GLU 65 -1.442 -11.751 -7.017 552 2HB GLU 65 2HB GLU 65 -1.549 -13.510 -6.994 553 1HG GLU 65 2HG GLU 65 -2.479 -12.798 -4.482 554 2HG GLU 65 1HG GLU 65 -3.131 -11.530 -5.523 555 H LYS 66 H LYS 66 1.766 -11.312 -6.198 556 HA LYS 66 HA LYS 66 2.740 -13.136 -8.238 557 1HB LYS 66 3HB LYS 66 3.730 -10.488 -7.188 558 2HB LYS 66 2HB LYS 66 4.543 -11.386 -8.464 559 1HG LYS 66 2HG LYS 66 1.821 -11.340 -9.192 560 2HG LYS 66 1HG LYS 66 2.199 -9.705 -8.646 561 1HD LYS 66 2HD LYS 66 4.013 -11.184 -10.554 562 2HD LYS 66 1HD LYS 66 2.633 -10.249 -11.133 563 1HE LYS 66 2HE LYS 66 3.807 -8.343 -10.923 564 2HE LYS 66 1HE LYS 66 4.067 -8.674 -9.209 565 1HZ LYS 66 1HZ LYS 66 6.118 -8.471 -10.635 566 2HZ LYS 66 2HZ LYS 66 5.679 -9.955 -11.337 567 3HZ LYS 66 3HZ LYS 66 6.017 -9.864 -9.674 568 H TYR 67 H TYR 67 4.352 -11.731 -5.331 569 HA TYR 67 HA TYR 67 6.009 -14.220 -5.416 570 1HB TYR 67 3HB TYR 67 7.907 -13.006 -4.621 571 2HB TYR 67 2HB TYR 67 7.224 -12.153 -6.003 572 HD1 TYR 67 HD1 TYR 67 6.605 -9.900 -5.823 573 HD2 TYR 67 HD2 TYR 67 7.178 -12.242 -2.269 574 HE1 TYR 67 HE1 TYR 67 6.336 -7.862 -4.438 575 HE2 TYR 67 HE2 TYR 67 6.912 -10.204 -0.883 576 HH TYR 67 HH TYR 67 5.576 -7.416 -1.958 577 HA PRO 68 HA PRO 68 5.462 -13.504 -0.752 578 1HB PRO 68 3HB PRO 68 3.215 -12.166 0.056 579 2HB PRO 68 2HB PRO 68 4.774 -11.382 -0.194 580 1HG PRO 68 2HG PRO 68 2.346 -11.275 -1.896 581 2HG PRO 68 1HG PRO 68 3.646 -10.088 -1.724 582 1HD PRO 68 2HD PRO 68 3.354 -11.912 -3.862 583 2HD PRO 68 1HD PRO 68 4.797 -10.959 -3.494 584 H ASP 69 H ASP 69 2.281 -13.265 -2.231 585 HA ASP 69 HA ASP 69 1.377 -15.670 -0.831 586 1HB ASP 69 3HB ASP 69 0.107 -13.345 -1.760 587 2HB ASP 69 2HB ASP 69 -0.507 -14.651 -2.775 588 H TYR 70 H TYR 70 3.460 -15.910 -2.894 589 HA TYR 70 HA TYR 70 2.352 -16.883 -5.331 590 1HB TYR 70 3HB TYR 70 4.864 -16.302 -4.533 591 2HB TYR 70 2HB TYR 70 4.907 -18.060 -4.387 592 HD1 TYR 70 HD1 TYR 70 6.350 -16.162 -6.455 593 HD2 TYR 70 HD2 TYR 70 2.790 -18.563 -6.594 594 HE1 TYR 70 HE1 TYR 70 6.579 -16.362 -8.917 595 HE2 TYR 70 HE2 TYR 70 3.019 -18.761 -9.055 596 HH TYR 70 HH TYR 70 5.391 -18.511 -10.704 Start of MODEL 28 1 HA PRO 1 HA PRO 1 8.694 -11.105 -2.553 2 1HB PRO 1 3HB PRO 1 8.090 -10.922 0.244 3 2HB PRO 1 2HB PRO 1 9.434 -11.776 -0.526 4 1HG PRO 1 2HG PRO 1 9.533 -9.354 0.999 5 2HG PRO 1 1HG PRO 1 10.871 -10.207 0.216 6 1HD PRO 1 2HD PRO 1 9.654 -7.737 -0.579 7 2HD PRO 1 1HD PRO 1 10.992 -8.592 -1.353 8 H HIS 2 H HIS 2 6.969 -9.347 0.016 9 HA HIS 2 HA HIS 2 4.537 -9.103 -1.588 10 1HB HIS 2 3HB HIS 2 3.446 -10.510 0.511 11 2HB HIS 2 2HB HIS 2 3.756 -11.179 -1.088 12 HD1 HIS 2 HD1 HIS 2 6.051 -10.477 1.894 13 HD2 HIS 2 HD2 HIS 2 5.056 -13.578 -0.709 14 HE1 HIS 2 HE1 HIS 2 7.527 -12.438 2.518 15 H ILE 3 H ILE 3 5.050 -6.893 -0.870 16 HA ILE 3 HA ILE 3 3.837 -6.330 1.776 17 HB ILE 3 HB ILE 3 5.878 -4.453 1.593 18 1HG1 ILE 3 2HG1 ILE 3 7.101 -7.179 1.106 19 2HG1 ILE 3 1HG1 ILE 3 6.876 -5.996 -0.183 20 1HG2 ILE 3 1HG2 ILE 3 5.174 -5.405 3.674 21 2HG2 ILE 3 2HG2 ILE 3 6.876 -5.825 3.483 22 3HG2 ILE 3 3HG2 ILE 3 5.629 -7.029 3.157 23 1HD1 ILE 3 1HD1 ILE 3 8.267 -5.203 2.364 24 2HD1 ILE 3 2HD1 ILE 3 8.399 -4.484 0.759 25 3HD1 ILE 3 3HD1 ILE 3 9.156 -6.042 1.093 26 H LYS 4 H LYS 4 4.230 -3.579 1.760 27 HA LYS 4 HA LYS 4 2.276 -2.756 -0.200 28 1HB LYS 4 3HB LYS 4 3.014 -1.708 2.160 29 2HB LYS 4 2HB LYS 4 4.015 -0.711 1.104 30 1HG LYS 4 2HG LYS 4 2.133 0.566 0.935 31 2HG LYS 4 1HG LYS 4 1.649 -0.653 -0.245 32 1HD LYS 4 2HD LYS 4 0.577 -1.944 1.625 33 2HD LYS 4 1HD LYS 4 0.930 -0.588 2.698 34 1HE LYS 4 2HE LYS 4 -0.332 0.893 1.074 35 2HE LYS 4 1HE LYS 4 -0.849 -0.576 0.248 36 1HZ LYS 4 1HZ LYS 4 -1.480 -1.238 2.707 37 2HZ LYS 4 2HZ LYS 4 -2.545 -0.362 1.713 38 3HZ LYS 4 3HZ LYS 4 -1.606 0.446 2.877 39 H ARG 5 H ARG 5 3.497 -3.597 -2.096 40 HA ARG 5 HA ARG 5 5.984 -2.477 -2.954 41 1HB ARG 5 3HB ARG 5 3.760 -4.008 -4.214 42 2HB ARG 5 2HB ARG 5 4.857 -3.152 -5.298 43 1HG ARG 5 2HG ARG 5 6.590 -4.555 -4.849 44 2HG ARG 5 1HG ARG 5 6.200 -4.635 -3.130 45 1HD ARG 5 2HD ARG 5 5.509 -6.747 -3.600 46 2HD ARG 5 1HD ARG 5 4.067 -5.957 -4.234 47 HE ARG 5 HE ARG 5 5.372 -5.968 -6.479 48 1HH1 ARG 5 1HH1 ARG 5 4.466 -8.562 -4.654 49 2HH1 ARG 5 2HH1 ARG 5 5.558 -9.704 -5.363 50 1HH2 ARG 5 1HH2 ARG 5 7.355 -7.305 -7.107 51 2HH2 ARG 5 2HH2 ARG 5 7.194 -8.993 -6.753 52 HA PRO 6 HA PRO 6 4.838 1.404 -4.663 53 1HB PRO 6 3HB PRO 6 6.411 1.482 -6.919 54 2HB PRO 6 2HB PRO 6 7.043 1.689 -5.277 55 1HG PRO 6 2HG PRO 6 7.263 -0.667 -7.089 56 2HG PRO 6 1HG PRO 6 8.336 -0.158 -5.776 57 1HD PRO 6 2HD PRO 6 6.419 -2.233 -5.636 58 2HD PRO 6 1HD PRO 6 7.251 -1.488 -4.256 59 H MET 7 H MET 7 2.643 0.436 -5.187 60 HA MET 7 HA MET 7 2.196 0.207 -8.084 61 1HB MET 7 3HB MET 7 -0.136 -0.522 -6.742 62 2HB MET 7 2HB MET 7 0.938 -1.561 -7.660 63 1HG MET 7 2HG MET 7 2.351 -1.795 -5.596 64 2HG MET 7 1HG MET 7 1.087 -0.940 -4.723 65 1HE MET 7 1HE MET 7 1.803 -3.361 -7.290 66 2HE MET 7 2HE MET 7 0.683 -4.717 -7.152 67 3HE MET 7 3HE MET 7 2.094 -4.635 -6.099 68 H ASN 8 H ASN 8 1.389 2.002 -8.796 69 HA ASN 8 HA ASN 8 -0.583 3.464 -7.229 70 1HB ASN 8 3HB ASN 8 1.817 5.052 -7.868 71 2HB ASN 8 2HB ASN 8 0.686 5.242 -6.555 72 1HD2 ASN 8 1HD2 ASN 8 1.095 4.094 -4.584 73 2HD2 ASN 8 2HD2 ASN 8 2.540 3.244 -4.321 74 H ALA 9 H ALA 9 -1.515 5.229 -8.469 75 HA ALA 9 HA ALA 9 -1.959 4.629 -11.157 76 1HB ALA 9 1HB ALA 9 -2.449 6.950 -9.384 77 2HB ALA 9 2HB ALA 9 -3.565 6.103 -10.450 78 3HB ALA 9 3HB ALA 9 -2.453 7.299 -11.113 79 H PHE 10 H PHE 10 0.538 6.514 -9.662 80 HA PHE 10 HA PHE 10 1.420 7.803 -12.029 81 1HB PHE 10 3HB PHE 10 2.056 8.714 -9.978 82 2HB PHE 10 2HB PHE 10 2.687 7.183 -9.394 83 HD1 PHE 10 HD1 PHE 10 5.008 7.122 -9.251 84 HD2 PHE 10 HD2 PHE 10 3.165 9.315 -12.452 85 HE1 PHE 10 HE1 PHE 10 7.248 7.719 -10.132 86 HE2 PHE 10 HE2 PHE 10 5.404 9.907 -13.331 87 HZ PHE 10 HZ PHE 10 7.445 9.112 -12.174 88 H MET 11 H MET 11 3.101 5.235 -10.223 89 HA MET 11 HA MET 11 4.757 4.532 -12.449 90 1HB MET 11 3HB MET 11 5.425 2.629 -11.180 91 2HB MET 11 2HB MET 11 5.082 3.869 -9.977 92 1HG MET 11 2HG MET 11 3.563 2.516 -9.024 93 2HG MET 11 1HG MET 11 2.636 2.497 -10.521 94 1HE MET 11 1HE MET 11 4.270 0.815 -12.724 95 2HE MET 11 2HE MET 11 2.600 1.005 -12.194 96 3HE MET 11 3HE MET 11 3.311 -0.604 -12.285 97 H VAL 12 H VAL 12 1.468 4.046 -11.709 98 HA VAL 12 HA VAL 12 1.132 1.670 -13.348 99 HB VAL 12 HB VAL 12 -0.669 3.605 -11.912 100 1HG1 VAL 12 1HG1 VAL 12 -1.519 1.544 -13.946 101 2HG1 VAL 12 2HG1 VAL 12 -1.914 3.262 -13.908 102 3HG1 VAL 12 3HG1 VAL 12 -2.609 2.172 -12.710 103 1HG2 VAL 12 1HG2 VAL 12 0.576 1.250 -11.180 104 2HG2 VAL 12 2HG2 VAL 12 -1.059 0.719 -11.577 105 3HG2 VAL 12 3HG2 VAL 12 -0.808 1.969 -10.359 106 H TRP 13 H TRP 13 0.458 5.121 -13.559 107 HA TRP 13 HA TRP 13 -0.428 4.833 -16.356 108 1HB TRP 13 3HB TRP 13 -1.521 6.642 -15.532 109 2HB TRP 13 2HB TRP 13 -0.321 6.912 -14.286 110 HD1 TRP 13 HD1 TRP 13 -1.598 8.279 -17.376 111 HE1 TRP 13 HE1 TRP 13 -0.080 10.157 -18.217 112 HE3 TRP 13 HE3 TRP 13 2.527 7.550 -14.455 113 HZ2 TRP 13 HZ2 TRP 13 2.529 11.214 -17.792 114 HZ3 TRP 13 HZ3 TRP 13 4.515 8.995 -14.703 115 HH2 TRP 13 HH2 TRP 13 4.518 10.832 -16.362 116 H ALA 14 H ALA 14 2.417 5.683 -14.586 117 HA ALA 14 HA ALA 14 3.910 6.788 -16.767 118 1HB ALA 14 1HB ALA 14 5.338 5.559 -14.485 119 2HB ALA 14 2HB ALA 14 4.190 6.839 -14.107 120 3HB ALA 14 3HB ALA 14 5.519 7.157 -15.208 121 H LYS 15 H LYS 15 3.188 3.510 -15.882 122 HA LYS 15 HA LYS 15 5.524 2.264 -16.898 123 1HB LYS 15 3HB LYS 15 2.694 1.410 -16.408 124 2HB LYS 15 2HB LYS 15 3.777 0.339 -17.303 125 1HG LYS 15 2HG LYS 15 4.763 1.569 -14.761 126 2HG LYS 15 1HG LYS 15 3.645 0.207 -14.664 127 1HD LYS 15 2HD LYS 15 5.278 -0.818 -16.478 128 2HD LYS 15 1HD LYS 15 6.422 0.319 -15.764 129 1HE LYS 15 2HE LYS 15 6.443 -0.768 -13.723 130 2HE LYS 15 1HE LYS 15 4.796 -1.369 -13.908 131 1HZ LYS 15 1HZ LYS 15 5.493 -3.057 -15.329 132 2HZ LYS 15 2HZ LYS 15 6.691 -3.030 -14.125 133 3HZ LYS 15 3HZ LYS 15 6.990 -2.324 -15.641 134 H ASP 16 H ASP 16 2.564 3.407 -18.400 135 HA ASP 16 HA ASP 16 3.434 2.398 -21.020 136 1HB ASP 16 3HB ASP 16 0.962 2.546 -20.186 137 2HB ASP 16 2HB ASP 16 1.106 4.261 -20.579 138 H GLU 17 H GLU 17 3.233 5.315 -19.158 139 HA GLU 17 HA GLU 17 3.913 7.163 -21.242 140 1HB GLU 17 3HB GLU 17 3.436 7.160 -18.423 141 2HB GLU 17 2HB GLU 17 4.926 8.042 -18.736 142 1HG GLU 17 2HG GLU 17 2.968 8.720 -20.722 143 2HG GLU 17 1HG GLU 17 2.264 8.904 -19.120 144 H ARG 18 H ARG 18 5.685 5.027 -19.138 145 HA ARG 18 HA ARG 18 8.344 6.034 -19.610 146 1HB ARG 18 3HB ARG 18 7.073 3.624 -18.455 147 2HB ARG 18 2HB ARG 18 8.628 3.319 -19.226 148 1HG ARG 18 2HG ARG 18 8.720 5.722 -17.606 149 2HG ARG 18 1HG ARG 18 8.203 4.321 -16.667 150 1HD ARG 18 2HD ARG 18 10.555 4.113 -18.527 151 2HD ARG 18 1HD ARG 18 10.757 4.765 -16.904 152 HE ARG 18 HE ARG 18 10.416 1.984 -17.546 153 1HH1 ARG 18 1HH1 ARG 18 11.721 2.835 -15.049 154 2HH1 ARG 18 2HH1 ARG 18 10.541 2.453 -13.839 155 1HH2 ARG 18 1HH2 ARG 18 7.925 2.177 -16.101 156 2HH2 ARG 18 2HH2 ARG 18 8.390 2.080 -14.435 157 H ARG 19 H ARG 19 6.381 3.445 -20.914 158 HA ARG 19 HA ARG 19 8.168 2.623 -22.956 159 1HB ARG 19 3HB ARG 19 5.425 2.070 -22.088 160 2HB ARG 19 2HB ARG 19 5.621 1.988 -23.835 161 1HG ARG 19 2HG ARG 19 7.878 0.717 -22.653 162 2HG ARG 19 1HG ARG 19 6.433 0.075 -21.873 163 1HD ARG 19 2HD ARG 19 6.397 0.375 -24.847 164 2HD ARG 19 1HD ARG 19 7.329 -0.956 -24.160 165 HE ARG 19 HE ARG 19 4.610 -0.739 -23.095 166 1HH1 ARG 19 1HH2 ARG 19 6.881 -2.810 -24.340 167 2HH1 ARG 19 2HH2 ARG 19 5.777 -3.792 -25.241 168 1HH2 ARG 19 1HH1 ARG 19 3.083 -1.659 -24.771 169 2HH2 ARG 19 2HH1 ARG 19 3.626 -3.140 -25.486 170 H LYS 20 H LYS 20 5.454 4.880 -22.803 171 HA LYS 20 HA LYS 20 5.610 5.473 -25.605 172 1HB LYS 20 3HB LYS 20 3.819 6.906 -25.284 173 2HB LYS 20 2HB LYS 20 3.633 5.845 -23.891 174 1HG LYS 20 2HG LYS 20 3.476 7.965 -22.919 175 2HG LYS 20 1HG LYS 20 5.182 7.585 -22.698 176 1HD LYS 20 2HD LYS 20 5.628 9.516 -23.768 177 2HD LYS 20 1HD LYS 20 5.085 8.704 -25.236 178 1HE LYS 20 2HE LYS 20 3.374 10.344 -23.348 179 2HE LYS 20 1HE LYS 20 3.845 10.783 -24.990 180 1HZ LYS 20 1HZ LYS 20 2.191 8.435 -24.234 181 2HZ LYS 20 2HZ LYS 20 2.645 8.859 -25.815 182 3HZ LYS 20 3HZ LYS 20 1.610 9.870 -24.927 183 H ILE 21 H ILE 21 7.436 6.429 -22.899 184 HA ILE 21 HA ILE 21 8.466 8.805 -24.331 185 HB ILE 21 HB ILE 21 8.160 8.119 -21.542 186 1HG1 ILE 21 2HG1 ILE 21 9.284 10.727 -22.035 187 2HG1 ILE 21 1HG1 ILE 21 8.054 10.358 -23.246 188 1HG2 ILE 21 1HG2 ILE 21 10.600 7.506 -21.832 189 2HG2 ILE 21 2HG2 ILE 21 10.263 8.749 -20.630 190 3HG2 ILE 21 3HG2 ILE 21 10.890 9.202 -22.215 191 1HD1 ILE 21 1HD1 ILE 21 7.432 9.690 -20.405 192 2HD1 ILE 21 2HD1 ILE 21 6.356 10.239 -21.690 193 3HD1 ILE 21 3HD1 ILE 21 7.407 11.392 -20.866 194 H LEU 22 H LEU 22 9.628 5.815 -22.837 195 HA LEU 22 HA LEU 22 12.330 5.921 -23.520 196 1HB LEU 22 3HB LEU 22 10.825 4.092 -22.385 197 2HB LEU 22 2HB LEU 22 10.780 3.419 -24.011 198 HG LEU 22 HG LEU 22 13.325 3.704 -24.017 199 1HD1 LEU 22 1HD1 LEU 22 12.579 4.457 -21.248 200 2HD1 LEU 22 2HD1 LEU 22 13.969 4.952 -22.213 201 3HD1 LEU 22 3HD1 LEU 22 13.967 3.382 -21.408 202 1HD2 LEU 22 1HD2 LEU 22 11.631 1.750 -22.572 203 2HD2 LEU 22 2HD2 LEU 22 13.369 1.641 -22.291 204 3HD2 LEU 22 3HD2 LEU 22 12.728 1.504 -23.929 205 H GLN 23 H GLN 23 9.551 5.429 -25.508 206 HA GLN 23 HA GLN 23 10.817 4.363 -27.823 207 1HB GLN 23 3HB GLN 23 8.851 5.084 -29.003 208 2HB GLN 23 2HB GLN 23 8.332 4.521 -27.419 209 1HG GLN 23 2HG GLN 23 8.464 6.866 -26.616 210 2HG GLN 23 1HG GLN 23 8.812 7.371 -28.264 211 1HE2 GLN 23 1HE2 GLN 23 6.692 8.632 -28.009 212 2HE2 GLN 23 2HE2 GLN 23 5.238 7.811 -28.319 213 H ALA 24 H ALA 24 10.236 7.459 -26.545 214 HA ALA 24 HA ALA 24 11.555 8.883 -28.737 215 1HB ALA 24 1HB ALA 24 11.066 10.833 -26.994 216 2HB ALA 24 2HB ALA 24 9.953 9.633 -26.337 217 3HB ALA 24 3HB ALA 24 9.783 10.173 -28.008 218 H PHE 25 H PHE 25 12.477 7.352 -25.885 219 HA PHE 25 HA PHE 25 15.139 8.544 -26.035 220 1HB PHE 25 3HB PHE 25 13.655 8.631 -23.397 221 2HB PHE 25 2HB PHE 25 15.233 9.326 -23.769 222 HD1 PHE 25 HD1 PHE 25 11.667 9.860 -23.780 223 HD2 PHE 25 HD2 PHE 25 15.368 11.195 -25.504 224 HE1 PHE 25 HE1 PHE 25 10.575 11.970 -24.489 225 HE2 PHE 25 HE2 PHE 25 14.276 13.306 -26.215 226 HZ PHE 25 HZ PHE 25 11.881 13.692 -25.706 227 HA PRO 26 HA PRO 26 14.854 4.032 -25.036 228 1HB PRO 26 3HB PRO 26 16.621 3.323 -27.018 229 2HB PRO 26 2HB PRO 26 14.869 3.429 -27.242 230 1HG PRO 26 2HG PRO 26 16.992 5.372 -28.088 231 2HG PRO 26 1HG PRO 26 15.458 4.969 -28.883 232 1HD PRO 26 2HD PRO 26 15.843 7.262 -27.356 233 2HD PRO 26 1HD PRO 26 14.264 6.513 -27.640 234 H ASP 27 H ASP 27 17.134 6.502 -24.895 235 HA ASP 27 HA ASP 27 19.228 4.713 -23.775 236 1HB ASP 27 3HB ASP 27 19.346 7.063 -25.357 237 2HB ASP 27 2HB ASP 27 20.025 7.440 -23.779 238 H MET 28 H MET 28 17.058 7.354 -23.126 239 HA MET 28 HA MET 28 17.907 7.943 -20.460 240 1HB MET 28 3HB MET 28 16.089 9.060 -22.154 241 2HB MET 28 2HB MET 28 15.056 8.226 -20.999 242 1HG MET 28 2HG MET 28 15.941 9.393 -19.163 243 2HG MET 28 1HG MET 28 17.358 9.919 -20.071 244 1HE MET 28 1HE MET 28 13.201 11.207 -21.482 245 2HE MET 28 2HE MET 28 13.449 9.931 -20.292 246 3HE MET 28 3HE MET 28 14.100 9.748 -21.918 247 H HIS 29 H HIS 29 18.223 6.023 -19.427 248 HA HIS 29 HA HIS 29 16.209 3.951 -19.435 249 1HB HIS 29 3HB HIS 29 17.730 2.701 -18.147 250 2HB HIS 29 2HB HIS 29 18.736 3.692 -19.200 251 HD1 HIS 29 HD1 HIS 29 19.493 2.575 -16.251 252 HD2 HIS 29 HD2 HIS 29 18.404 6.474 -17.247 253 HE1 HIS 29 HE1 HIS 29 20.439 4.069 -14.440 254 H ASN 30 H ASN 30 15.641 3.002 -17.146 255 HA ASN 30 HA ASN 30 13.634 4.432 -15.961 256 1HB ASN 30 3HB ASN 30 14.376 3.123 -13.785 257 2HB ASN 30 2HB ASN 30 13.759 2.255 -15.190 258 1HD2 ASN 30 1HD2 ASN 30 16.280 2.227 -12.994 259 2HD2 ASN 30 2HD2 ASN 30 17.444 1.419 -13.928 260 H SER 31 H SER 31 16.720 4.157 -14.175 261 HA SER 31 HA SER 31 16.432 6.018 -12.240 262 1HB SER 31 3HB SER 31 18.615 4.822 -13.405 263 2HB SER 31 2HB SER 31 18.934 6.539 -13.602 264 HG SER 31 HG SER 31 18.535 6.778 -11.362 265 H ASN 32 H ASN 32 16.757 6.816 -15.652 266 HA ASN 32 HA ASN 32 16.706 9.693 -14.958 267 1HB ASN 32 3HB ASN 32 17.538 8.130 -17.308 268 2HB ASN 32 2HB ASN 32 16.877 9.728 -17.621 269 1HD2 ASN 32 1HD2 ASN 32 19.532 9.522 -18.235 270 2HD2 ASN 32 2HD2 ASN 32 20.501 10.245 -17.044 271 H ILE 33 H ILE 33 14.897 7.277 -16.839 272 HA ILE 33 HA ILE 33 12.851 8.991 -17.809 273 HB ILE 33 HB ILE 33 12.759 6.082 -16.974 274 1HG1 ILE 33 2HG1 ILE 33 14.158 7.013 -18.983 275 2HG1 ILE 33 1HG1 ILE 33 13.138 5.599 -19.242 276 1HG2 ILE 33 1HG2 ILE 33 10.647 7.896 -18.123 277 2HG2 ILE 33 2HG2 ILE 33 10.491 6.680 -16.854 278 3HG2 ILE 33 3HG2 ILE 33 10.654 6.183 -18.539 279 1HD1 ILE 33 1HD1 ILE 33 13.050 7.775 -20.845 280 2HD1 ILE 33 2HD1 ILE 33 11.842 8.243 -19.647 281 3HD1 ILE 33 3HD1 ILE 33 11.650 6.742 -20.553 282 H SER 34 H SER 34 13.342 7.473 -14.683 283 HA SER 34 HA SER 34 10.880 7.811 -13.425 284 1HB SER 34 3HB SER 34 13.674 7.702 -12.610 285 2HB SER 34 2HB SER 34 12.719 8.733 -11.549 286 HG SER 34 HG SER 34 12.709 6.483 -10.953 287 H LYS 35 H LYS 35 13.420 10.256 -13.898 288 HA LYS 35 HA LYS 35 11.953 12.359 -12.617 289 1HB LYS 35 3HB LYS 35 13.905 12.986 -14.793 290 2HB LYS 35 2HB LYS 35 13.717 13.743 -13.211 291 1HG LYS 35 2HG LYS 35 14.563 11.520 -12.231 292 2HG LYS 35 1HG LYS 35 15.059 11.120 -13.876 293 1HD LYS 35 2HD LYS 35 16.993 12.156 -13.223 294 2HD LYS 35 1HD LYS 35 16.100 13.600 -13.703 295 1HE LYS 35 2HE LYS 35 15.319 13.879 -11.367 296 2HE LYS 35 1HE LYS 35 16.259 12.461 -10.896 297 1HZ LYS 35 1HZ LYS 35 18.265 13.572 -11.589 298 2HZ LYS 35 2HZ LYS 35 17.437 14.547 -10.470 299 3HZ LYS 35 3HZ LYS 35 17.384 14.918 -12.128 300 H ILE 36 H ILE 36 12.053 10.931 -15.750 301 HA ILE 36 HA ILE 36 10.641 13.025 -17.121 302 HB ILE 36 HB ILE 36 11.402 10.229 -17.719 303 1HG1 ILE 36 2HG1 ILE 36 12.139 11.614 -19.866 304 2HG1 ILE 36 1HG1 ILE 36 11.990 12.970 -18.750 305 1HG2 ILE 36 1HG2 ILE 36 9.346 10.018 -18.756 306 2HG2 ILE 36 2HG2 ILE 36 10.246 10.810 -20.049 307 3HG2 ILE 36 3HG2 ILE 36 9.185 11.757 -19.006 308 1HD1 ILE 36 1HD1 ILE 36 13.759 10.530 -18.464 309 2HD1 ILE 36 2HD1 ILE 36 13.457 11.658 -17.141 310 3HD1 ILE 36 3HD1 ILE 36 14.262 12.216 -18.607 311 H LEU 37 H LEU 37 9.710 9.768 -16.118 312 HA LEU 37 HA LEU 37 6.945 9.896 -16.563 313 1HB LEU 37 3HB LEU 37 8.663 8.519 -14.529 314 2HB LEU 37 2HB LEU 37 6.912 8.399 -14.437 315 HG LEU 37 HG LEU 37 8.719 7.502 -16.680 316 1HD1 LEU 37 1HD1 LEU 37 8.535 5.656 -15.392 317 2HD1 LEU 37 2HD1 LEU 37 6.904 5.541 -16.057 318 3HD1 LEU 37 3HD1 LEU 37 7.168 6.314 -14.494 319 1HD2 LEU 37 1HD2 LEU 37 5.843 8.277 -16.709 320 2HD2 LEU 37 2HD2 LEU 37 6.244 6.750 -17.492 321 3HD2 LEU 37 3HD2 LEU 37 7.008 8.243 -18.033 322 H GLY 38 H GLY 38 8.553 10.348 -13.438 323 1HA GLY 38 2HA GLY 38 6.321 11.387 -12.043 324 2HA GLY 38 1HA GLY 38 7.999 11.676 -11.581 325 H SER 39 H SER 39 8.217 12.836 -14.485 326 HA SER 39 HA SER 39 7.388 15.540 -13.653 327 1HB SER 39 3HB SER 39 9.335 14.542 -15.737 328 2HB SER 39 2HB SER 39 8.803 16.219 -15.683 329 HG SER 39 HG SER 39 10.268 14.741 -13.773 330 H ARG 40 H ARG 40 6.646 12.924 -15.674 331 HA ARG 40 HA ARG 40 5.077 14.518 -17.567 332 1HB ARG 40 3HB ARG 40 5.906 11.697 -17.212 333 2HB ARG 40 2HB ARG 40 4.494 12.026 -18.183 334 1HG ARG 40 2HG ARG 40 6.647 13.851 -18.835 335 2HG ARG 40 1HG ARG 40 7.169 12.175 -19.009 336 1HD ARG 40 2HD ARG 40 5.384 11.687 -20.511 337 2HD ARG 40 1HD ARG 40 4.591 13.224 -20.185 338 HE ARG 40 HE ARG 40 7.308 13.342 -21.357 339 1HH1 ARG 40 1HH1 ARG 40 4.314 14.781 -21.198 340 2HH1 ARG 40 2HH1 ARG 40 4.177 15.127 -22.890 341 1HH2 ARG 40 1HH2 ARG 40 6.971 13.270 -23.766 342 2HH2 ARG 40 2HH2 ARG 40 5.683 14.273 -24.344 343 H TRP 41 H TRP 41 4.916 12.577 -14.739 344 HA TRP 41 HA TRP 41 2.139 12.066 -14.515 345 1HB TRP 41 3HB TRP 41 3.969 11.074 -13.130 346 2HB TRP 41 2HB TRP 41 4.144 12.630 -12.328 347 HD1 TRP 41 HD1 TRP 41 2.771 12.796 -10.183 348 HE1 TRP 41 HE1 TRP 41 0.567 11.718 -9.304 349 HE3 TRP 41 HE3 TRP 41 1.482 10.095 -14.251 350 HZ2 TRP 41 HZ2 TRP 41 -1.478 9.936 -10.284 351 HZ3 TRP 41 HZ3 TRP 41 -0.579 8.750 -14.276 352 HH2 TRP 41 HH2 TRP 41 -2.056 8.673 -12.364 353 H LYS 42 H LYS 42 4.090 14.524 -12.829 354 HA LYS 42 HA LYS 42 1.826 15.975 -11.882 355 1HB LYS 42 3HB LYS 42 4.724 16.735 -12.325 356 2HB LYS 42 2HB LYS 42 3.548 17.881 -11.682 357 1HG LYS 42 2HG LYS 42 2.981 16.069 -9.949 358 2HG LYS 42 1HG LYS 42 4.470 15.276 -10.468 359 1HD LYS 42 2HD LYS 42 5.703 16.691 -9.229 360 2HD LYS 42 1HD LYS 42 4.981 18.078 -10.046 361 1HE LYS 42 2HE LYS 42 3.438 16.625 -7.912 362 2HE LYS 42 1HE LYS 42 4.654 17.819 -7.462 363 1HZ LYS 42 1HZ LYS 42 2.880 18.681 -9.560 364 2HZ LYS 42 2HZ LYS 42 3.376 19.493 -8.152 365 3HZ LYS 42 3HZ LYS 42 2.095 18.379 -8.087 366 H ALA 43 H ALA 43 3.260 15.642 -14.940 367 HA ALA 43 HA ALA 43 2.437 18.207 -15.977 368 1HB ALA 43 1HB ALA 43 3.188 16.756 -18.153 369 2HB ALA 43 2HB ALA 43 4.061 15.922 -16.868 370 3HB ALA 43 3HB ALA 43 4.312 17.648 -17.126 371 H MET 44 H MET 44 0.933 15.096 -15.667 372 HA MET 44 HA MET 44 -0.750 15.461 -18.014 373 1HB MET 44 3HB MET 44 -2.054 13.499 -16.818 374 2HB MET 44 2HB MET 44 -0.528 13.181 -17.613 375 1HG MET 44 2HG MET 44 0.661 13.257 -15.535 376 2HG MET 44 1HG MET 44 -0.775 13.822 -14.672 377 1HE MET 44 1HE MET 44 -3.105 11.022 -14.341 378 2HE MET 44 2HE MET 44 -2.888 12.749 -14.615 379 3HE MET 44 3HE MET 44 -2.125 11.982 -13.226 380 H THR 45 H THR 45 -2.846 14.469 -15.563 381 HA THR 45 HA THR 45 -3.508 17.287 -14.977 382 HB THR 45 HB THR 45 -5.991 16.312 -15.350 383 HG1 THR 45 HG1 THR 45 -5.718 15.145 -17.433 384 1HG2 THR 45 1HG2 THR 45 -4.625 17.098 -17.857 385 2HG2 THR 45 2HG2 THR 45 -4.383 18.188 -16.492 386 3HG2 THR 45 3HG2 THR 45 -6.016 17.832 -17.058 387 H ASN 46 H ASN 46 -2.934 17.063 -12.906 388 HA ASN 46 HA ASN 46 -3.042 15.031 -11.125 389 1HB ASN 46 3HB ASN 46 -3.206 16.594 -9.363 390 2HB ASN 46 2HB ASN 46 -2.482 17.487 -10.699 391 1HD2 ASN 46 1HD2 ASN 46 -5.078 17.502 -8.467 392 2HD2 ASN 46 2HD2 ASN 46 -6.005 18.722 -9.196 393 H LEU 47 H LEU 47 -5.909 16.598 -12.424 394 HA LEU 47 HA LEU 47 -7.714 15.270 -10.528 395 1HB LEU 47 3HB LEU 47 -8.137 17.501 -11.753 396 2HB LEU 47 2HB LEU 47 -8.510 16.512 -13.165 397 HG LEU 47 HG LEU 47 -9.848 15.506 -10.784 398 1HD1 LEU 47 1HD1 LEU 47 -9.902 18.411 -11.317 399 2HD1 LEU 47 2HD1 LEU 47 -10.328 17.528 -9.850 400 3HD1 LEU 47 3HD1 LEU 47 -11.491 17.659 -11.170 401 1HD2 LEU 47 1HD2 LEU 47 -11.285 14.897 -12.414 402 2HD2 LEU 47 2HD2 LEU 47 -10.218 15.682 -13.577 403 3HD2 LEU 47 3HD2 LEU 47 -11.555 16.581 -12.861 404 H GLU 48 H GLU 48 -6.216 14.506 -13.536 405 HA GLU 48 HA GLU 48 -8.149 12.481 -14.342 406 1HB GLU 48 3HB GLU 48 -6.524 13.926 -15.793 407 2HB GLU 48 2HB GLU 48 -5.394 12.613 -15.466 408 1HG GLU 48 2HG GLU 48 -6.984 10.987 -16.373 409 2HG GLU 48 1HG GLU 48 -8.177 12.262 -16.621 410 H LYS 49 H LYS 49 -6.613 12.245 -11.689 411 HA LYS 49 HA LYS 49 -4.923 9.888 -12.081 412 1HB LYS 49 3HB LYS 49 -5.454 11.819 -10.019 413 2HB LYS 49 2HB LYS 49 -5.642 10.197 -9.359 414 1HG LYS 49 2HG LYS 49 -3.422 9.832 -9.415 415 2HG LYS 49 1HG LYS 49 -3.319 10.368 -11.094 416 1HD LYS 49 2HD LYS 49 -3.815 12.540 -9.174 417 2HD LYS 49 1HD LYS 49 -2.266 11.734 -8.968 418 1HE LYS 49 2HE LYS 49 -2.074 13.612 -10.552 419 2HE LYS 49 1HE LYS 49 -1.759 12.077 -11.355 420 1HZ LYS 49 1HZ LYS 49 -3.369 13.738 -12.446 421 2HZ LYS 49 2HZ LYS 49 -4.484 13.179 -11.293 422 3HZ LYS 49 3HZ LYS 49 -3.795 12.097 -12.401 423 H GLN 50 H GLN 50 -8.262 10.443 -11.724 424 HA GLN 50 HA GLN 50 -9.163 8.327 -10.116 425 1HB GLN 50 3HB GLN 50 -10.641 9.046 -12.626 426 2HB GLN 50 2HB GLN 50 -11.273 8.687 -11.021 427 1HG GLN 50 2HG GLN 50 -9.771 10.840 -10.424 428 2HG GLN 50 1HG GLN 50 -10.181 11.227 -12.097 429 1HE2 GLN 50 1HE2 GLN 50 -11.525 10.782 -8.857 430 2HE2 GLN 50 2HE2 GLN 50 -13.082 11.346 -9.228 431 HA PRO 51 HA PRO 51 -9.335 5.504 -13.973 432 1HB PRO 51 3HB PRO 51 -7.746 6.199 -16.093 433 2HB PRO 51 2HB PRO 51 -9.437 6.670 -15.911 434 1HG PRO 51 2HG PRO 51 -6.988 8.325 -15.526 435 2HG PRO 51 1HG PRO 51 -8.610 8.827 -16.033 436 1HD PRO 51 2HD PRO 51 -7.544 9.133 -13.454 437 2HD PRO 51 1HD PRO 51 -9.265 9.244 -13.871 438 H TYR 52 H TYR 52 -6.094 7.042 -13.789 439 HA TYR 52 HA TYR 52 -4.735 4.480 -13.991 440 1HB TYR 52 3HB TYR 52 -3.517 6.880 -12.645 441 2HB TYR 52 2HB TYR 52 -2.747 5.678 -13.683 442 HD1 TYR 52 HD1 TYR 52 -4.147 8.926 -13.553 443 HD2 TYR 52 HD2 TYR 52 -3.650 5.534 -16.128 444 HE1 TYR 52 HE1 TYR 52 -4.554 10.365 -15.519 445 HE2 TYR 52 HE2 TYR 52 -4.058 6.962 -18.100 446 HH TYR 52 HH TYR 52 -4.570 10.479 -17.750 447 H TYR 53 H TYR 53 -6.558 5.987 -11.599 448 HA TYR 53 HA TYR 53 -5.046 4.913 -9.332 449 1HB TYR 53 3HB TYR 53 -7.347 6.681 -9.722 450 2HB TYR 53 2HB TYR 53 -7.544 5.578 -8.373 451 HD1 TYR 53 HD1 TYR 53 -4.701 5.228 -7.520 452 HD2 TYR 53 HD2 TYR 53 -6.865 8.761 -8.659 453 HE1 TYR 53 HE1 TYR 53 -3.166 6.608 -6.153 454 HE2 TYR 53 HE2 TYR 53 -5.326 10.140 -7.291 455 HH TYR 53 HH TYR 53 -2.465 9.324 -6.358 456 H GLU 54 H GLU 54 -7.998 4.091 -11.114 457 HA GLU 54 HA GLU 54 -8.749 1.933 -9.386 458 1HB GLU 54 3HB GLU 54 -10.128 1.199 -11.345 459 2HB GLU 54 2HB GLU 54 -10.369 2.893 -10.930 460 1HG GLU 54 2HG GLU 54 -9.346 3.649 -12.837 461 2HG GLU 54 1HG GLU 54 -8.204 2.304 -12.880 462 H GLU 55 H GLU 55 -6.502 2.200 -12.061 463 HA GLU 55 HA GLU 55 -6.215 -0.614 -12.515 464 1HB GLU 55 3HB GLU 55 -4.638 1.808 -13.157 465 2HB GLU 55 2HB GLU 55 -3.856 0.246 -13.335 466 1HG GLU 55 2HG GLU 55 -6.536 0.203 -14.448 467 2HG GLU 55 1HG GLU 55 -5.574 1.487 -15.180 468 H GLN 56 H GLN 56 -5.177 1.479 -9.995 469 HA GLN 56 HA GLN 56 -2.991 -0.308 -9.143 470 1HB GLN 56 3HB GLN 56 -2.369 1.390 -7.765 471 2HB GLN 56 2HB GLN 56 -3.351 2.363 -8.833 472 1HG GLN 56 2HG GLN 56 -5.207 2.273 -7.282 473 2HG GLN 56 1HG GLN 56 -4.380 1.086 -6.280 474 1HE2 GLN 56 1HE2 GLN 56 -2.757 3.900 -7.742 475 2HE2 GLN 56 2HE2 GLN 56 -2.428 4.683 -6.272 476 H ALA 57 H ALA 57 -6.099 0.786 -7.939 477 HA ALA 57 HA ALA 57 -6.274 -0.952 -5.717 478 1HB ALA 57 1HB ALA 57 -8.294 0.021 -5.408 479 2HB ALA 57 2HB ALA 57 -8.848 -0.441 -7.018 480 3HB ALA 57 3HB ALA 57 -7.882 1.019 -6.803 481 H ARG 58 H ARG 58 -6.984 -1.480 -9.139 482 HA ARG 58 HA ARG 58 -8.365 -3.993 -8.706 483 1HB ARG 58 3HB ARG 58 -8.436 -4.212 -11.038 484 2HB ARG 58 2HB ARG 58 -8.398 -2.465 -10.817 485 1HG ARG 58 2HG ARG 58 -5.958 -2.465 -11.194 486 2HG ARG 58 1HG ARG 58 -5.993 -4.216 -11.412 487 1HD ARG 58 2HD ARG 58 -7.981 -2.952 -13.093 488 2HD ARG 58 1HD ARG 58 -6.388 -2.259 -13.395 489 HE ARG 58 HE ARG 58 -7.217 -4.852 -14.240 490 1HH1 ARG 58 1HH1 ARG 58 -4.705 -3.163 -14.953 491 2HH1 ARG 58 2HH1 ARG 58 -3.456 -4.279 -14.512 492 1HH2 ARG 58 1HH2 ARG 58 -5.568 -6.331 -12.680 493 2HH2 ARG 58 2HH2 ARG 58 -3.945 -6.072 -13.225 494 H LEU 59 H LEU 59 -5.056 -3.190 -9.746 495 HA LEU 59 HA LEU 59 -4.132 -5.904 -9.747 496 1HB LEU 59 3HB LEU 59 -1.867 -4.862 -9.706 497 2HB LEU 59 2HB LEU 59 -2.905 -4.159 -10.942 498 HG LEU 59 HG LEU 59 -3.519 -2.399 -9.159 499 1HD1 LEU 59 1HD1 LEU 59 -1.494 -4.028 -7.778 500 2HD1 LEU 59 2HD1 LEU 59 -2.671 -2.899 -7.108 501 3HD1 LEU 59 3HD1 LEU 59 -1.142 -2.300 -7.749 502 1HD2 LEU 59 1HD2 LEU 59 -2.159 -1.789 -11.054 503 2HD2 LEU 59 2HD2 LEU 59 -0.752 -2.608 -10.380 504 3HD2 LEU 59 3HD2 LEU 59 -1.365 -1.140 -9.620 505 H SER 60 H SER 60 -4.841 -3.661 -7.240 506 HA SER 60 HA SER 60 -3.043 -4.793 -5.245 507 1HB SER 60 3HB SER 60 -3.902 -3.194 -3.837 508 2HB SER 60 2HB SER 60 -4.485 -2.487 -5.340 509 HG SER 60 HG SER 60 -6.182 -2.710 -3.860 510 H LYS 61 H LYS 61 -6.301 -5.319 -6.397 511 HA LYS 61 HA LYS 61 -7.221 -7.075 -4.346 512 1HB LYS 61 3HB LYS 61 -8.554 -6.019 -6.274 513 2HB LYS 61 2HB LYS 61 -7.910 -7.319 -7.278 514 1HG LYS 61 2HG LYS 61 -9.806 -8.394 -6.560 515 2HG LYS 61 1HG LYS 61 -8.773 -8.781 -5.182 516 1HD LYS 61 2HD LYS 61 -10.017 -7.515 -3.786 517 2HD LYS 61 1HD LYS 61 -10.004 -6.152 -4.906 518 1HE LYS 61 2HE LYS 61 -11.810 -7.199 -6.215 519 2HE LYS 61 1HE LYS 61 -11.821 -8.573 -5.107 520 1HZ LYS 61 1HZ LYS 61 -13.408 -7.342 -4.111 521 2HZ LYS 61 2HZ LYS 61 -12.827 -5.869 -4.727 522 3HZ LYS 61 3HZ LYS 61 -12.076 -6.585 -3.383 523 H GLN 62 H GLN 62 -5.503 -7.663 -7.396 524 HA GLN 62 HA GLN 62 -5.309 -10.528 -6.997 525 1HB GLN 62 3HB GLN 62 -3.687 -8.648 -8.745 526 2HB GLN 62 2HB GLN 62 -3.622 -10.409 -8.829 527 1HG GLN 62 2HG GLN 62 -6.264 -8.990 -9.057 528 2HG GLN 62 1HG GLN 62 -5.209 -9.124 -10.464 529 1HE2 GLN 62 1HE2 GLN 62 -6.176 -10.778 -11.691 530 2HE2 GLN 62 2HE2 GLN 62 -6.550 -12.319 -11.088 531 H HIS 63 H HIS 63 -3.680 -7.808 -5.717 532 HA HIS 63 HA HIS 63 -1.175 -9.187 -5.104 533 1HB HIS 63 3HB HIS 63 -1.236 -6.741 -5.445 534 2HB HIS 63 2HB HIS 63 -2.306 -6.577 -4.055 535 HD1 HIS 63 HD1 HIS 63 -0.033 -9.206 -3.249 536 HD2 HIS 63 HD2 HIS 63 0.239 -5.046 -3.257 537 HE1 HIS 63 HE1 HIS 63 1.921 -8.614 -1.751 538 H LEU 64 H LEU 64 -3.591 -7.674 -2.961 539 HA LEU 64 HA LEU 64 -2.815 -9.086 -0.631 540 1HB LEU 64 3HB LEU 64 -5.332 -7.683 -1.486 541 2HB LEU 64 2HB LEU 64 -5.306 -8.592 0.022 542 HG LEU 64 HG LEU 64 -3.218 -6.515 -0.654 543 1HD1 LEU 64 1HD1 LEU 64 -5.989 -6.221 0.374 544 2HD1 LEU 64 2HD1 LEU 64 -4.980 -5.060 -0.489 545 3HD1 LEU 64 3HD1 LEU 64 -4.744 -5.322 1.239 546 1HD2 LEU 64 1HD2 LEU 64 -2.733 -8.248 1.102 547 2HD2 LEU 64 2HD2 LEU 64 -4.140 -7.672 1.995 548 3HD2 LEU 64 3HD2 LEU 64 -2.763 -6.602 1.733 549 H GLU 65 H GLU 65 -5.126 -9.922 -3.176 550 HA GLU 65 HA GLU 65 -6.338 -12.143 -1.951 551 1HB GLU 65 3HB GLU 65 -5.789 -11.370 -4.789 552 2HB GLU 65 2HB GLU 65 -6.351 -13.007 -4.460 553 1HG GLU 65 2HG GLU 65 -8.090 -11.629 -2.920 554 2HG GLU 65 1HG GLU 65 -7.789 -10.421 -4.170 555 H LYS 66 H LYS 66 -3.098 -11.700 -2.985 556 HA LYS 66 HA LYS 66 -2.527 -14.566 -3.257 557 1HB LYS 66 3HB LYS 66 -0.959 -12.022 -3.486 558 2HB LYS 66 2HB LYS 66 -0.091 -13.533 -3.217 559 1HG LYS 66 2HG LYS 66 -1.929 -14.193 -5.190 560 2HG LYS 66 1HG LYS 66 -1.421 -12.564 -5.633 561 1HD LYS 66 2HD LYS 66 0.285 -13.724 -6.648 562 2HD LYS 66 1HD LYS 66 0.989 -13.595 -5.036 563 1HE LYS 66 2HE LYS 66 -0.552 -15.831 -4.751 564 2HE LYS 66 1HE LYS 66 -0.074 -15.965 -6.443 565 1HZ LYS 66 1HZ LYS 66 2.249 -15.320 -5.416 566 2HZ LYS 66 2HZ LYS 66 1.714 -16.932 -5.465 567 3HZ LYS 66 3HZ LYS 66 1.577 -16.032 -4.031 568 H TYR 67 H TYR 67 -1.369 -11.969 -1.107 569 HA TYR 67 HA TYR 67 -1.573 -13.762 1.206 570 1HB TYR 67 3HB TYR 67 1.012 -12.913 1.589 571 2HB TYR 67 2HB TYR 67 0.561 -14.508 0.992 572 HD1 TYR 67 HD1 TYR 67 2.121 -15.097 -0.655 573 HD2 TYR 67 HD2 TYR 67 0.445 -11.142 -0.668 574 HE1 TYR 67 HE1 TYR 67 3.260 -14.617 -2.804 575 HE2 TYR 67 HE2 TYR 67 1.584 -10.663 -2.813 576 HH TYR 67 HH TYR 67 3.904 -12.907 -4.202 577 HA PRO 68 HA PRO 68 -2.320 -9.586 2.654 578 1HB PRO 68 3HB PRO 68 -3.412 -10.355 5.051 579 2HB PRO 68 2HB PRO 68 -4.316 -10.343 3.528 580 1HG PRO 68 2HG PRO 68 -3.229 -12.672 5.042 581 2HG PRO 68 1HG PRO 68 -4.611 -12.598 3.935 582 1HD PRO 68 2HD PRO 68 -2.041 -13.608 3.309 583 2HD PRO 68 1HD PRO 68 -3.321 -13.215 2.141 584 H ASP 69 H ASP 69 -1.898 -11.199 5.723 585 HA ASP 69 HA ASP 69 0.576 -9.709 6.150 586 1HB ASP 69 3HB ASP 69 -1.314 -11.159 7.988 587 2HB ASP 69 2HB ASP 69 0.249 -10.554 8.537 588 H TYR 70 H TYR 70 0.335 -12.428 8.055 589 HA TYR 70 HA TYR 70 2.710 -13.597 6.997 590 1HB TYR 70 3HB TYR 70 2.527 -15.135 8.761 591 2HB TYR 70 2HB TYR 70 1.731 -13.696 9.392 592 HD1 TYR 70 HD1 TYR 70 -0.814 -13.933 7.688 593 HD2 TYR 70 HD2 TYR 70 1.350 -16.781 10.069 594 HE1 TYR 70 HE1 TYR 70 -2.898 -15.231 8.029 595 HE2 TYR 70 HE2 TYR 70 -0.735 -18.079 10.410 Start of MODEL 29 1 HA PRO 1 HA PRO 1 15.101 -8.207 -4.393 2 1HB PRO 1 3HB PRO 1 13.622 -10.578 -5.032 3 2HB PRO 1 2HB PRO 1 14.962 -10.405 -3.891 4 1HG PRO 1 2HG PRO 1 12.187 -10.797 -3.299 5 2HG PRO 1 1HG PRO 1 13.532 -10.615 -2.162 6 1HD PRO 1 2HD PRO 1 11.464 -8.722 -2.758 7 2HD PRO 1 1HD PRO 1 12.806 -8.550 -1.621 8 H HIS 2 H HIS 2 11.706 -8.473 -5.435 9 HA HIS 2 HA HIS 2 12.160 -7.139 -7.920 10 1HB HIS 2 3HB HIS 2 13.379 -9.110 -8.611 11 2HB HIS 2 2HB HIS 2 12.094 -10.167 -8.026 12 HD1 HIS 2 HD1 HIS 2 11.726 -7.019 -10.138 13 HD2 HIS 2 HD2 HIS 2 11.039 -11.121 -10.415 14 HE1 HIS 2 HE1 HIS 2 10.521 -7.397 -12.333 15 H ILE 3 H ILE 3 10.212 -6.233 -6.851 16 HA ILE 3 HA ILE 3 7.787 -7.683 -7.754 17 HB ILE 3 HB ILE 3 7.020 -6.533 -5.320 18 1HG1 ILE 3 2HG1 ILE 3 9.645 -8.027 -5.069 19 2HG1 ILE 3 1HG1 ILE 3 9.334 -6.360 -4.590 20 1HG2 ILE 3 1HG2 ILE 3 6.015 -8.538 -6.061 21 2HG2 ILE 3 2HG2 ILE 3 6.943 -9.030 -4.645 22 3HG2 ILE 3 3HG2 ILE 3 7.570 -9.344 -6.263 23 1HD1 ILE 3 1HD1 ILE 3 8.297 -6.969 -2.655 24 2HD1 ILE 3 2HD1 ILE 3 9.182 -8.478 -2.877 25 3HD1 ILE 3 3HD1 ILE 3 7.503 -8.355 -3.399 26 H LYS 4 H LYS 4 7.964 -5.925 -9.372 27 HA LYS 4 HA LYS 4 7.722 -3.156 -8.569 28 1HB LYS 4 3HB LYS 4 7.497 -4.698 -11.114 29 2HB LYS 4 2HB LYS 4 6.706 -3.121 -11.062 30 1HG LYS 4 2HG LYS 4 9.236 -2.771 -9.849 31 2HG LYS 4 1HG LYS 4 9.518 -3.720 -11.310 32 1HD LYS 4 2HD LYS 4 8.502 -2.072 -12.699 33 2HD LYS 4 1HD LYS 4 7.804 -1.230 -11.315 34 1HE LYS 4 2HE LYS 4 10.787 -1.521 -11.747 35 2HE LYS 4 1HE LYS 4 9.863 -0.122 -12.292 36 1HZ LYS 4 1HZ LYS 4 10.302 0.662 -10.260 37 2HZ LYS 4 2HZ LYS 4 10.680 -0.869 -9.626 38 3HZ LYS 4 3HZ LYS 4 9.060 -0.369 -9.742 39 H ARG 5 H ARG 5 6.002 -3.737 -6.907 40 HA ARG 5 HA ARG 5 3.364 -4.472 -7.788 41 1HB ARG 5 3HB ARG 5 4.689 -3.876 -5.296 42 2HB ARG 5 2HB ARG 5 3.125 -3.063 -5.364 43 1HG ARG 5 2HG ARG 5 2.624 -5.598 -6.425 44 2HG ARG 5 1HG ARG 5 3.714 -5.903 -5.073 45 1HD ARG 5 2HD ARG 5 1.643 -5.907 -4.001 46 2HD ARG 5 1HD ARG 5 2.139 -4.226 -3.796 47 HE ARG 5 HE ARG 5 0.589 -4.674 -6.227 48 1HH1 ARG 5 1HH2 ARG 5 -0.299 -5.241 -3.089 49 2HH1 ARG 5 2HH2 ARG 5 -1.489 -3.986 -2.989 50 1HH2 ARG 5 1HH1 ARG 5 -0.594 -2.533 -6.007 51 2HH2 ARG 5 2HH1 ARG 5 -1.657 -2.453 -4.641 52 HA PRO 6 HA PRO 6 2.290 -0.383 -9.266 53 1HB PRO 6 3HB PRO 6 -0.139 -1.162 -10.292 54 2HB PRO 6 2HB PRO 6 1.400 -1.424 -11.133 55 1HG PRO 6 2HG PRO 6 -0.312 -3.396 -9.693 56 2HG PRO 6 1HG PRO 6 0.823 -3.658 -11.028 57 1HD PRO 6 2HD PRO 6 1.322 -4.225 -8.304 58 2HD PRO 6 1HD PRO 6 2.537 -4.138 -9.590 59 H MET 7 H MET 7 2.009 0.503 -7.169 60 HA MET 7 HA MET 7 -0.588 0.065 -5.807 61 1HB MET 7 3HB MET 7 2.094 1.075 -5.024 62 2HB MET 7 2HB MET 7 0.693 1.468 -4.050 63 1HG MET 7 2HG MET 7 0.323 -1.191 -4.402 64 2HG MET 7 1HG MET 7 2.082 -1.120 -4.435 65 1HE MET 7 1HE MET 7 2.874 1.037 -3.209 66 2HE MET 7 2HE MET 7 3.542 0.020 -1.935 67 3HE MET 7 3HE MET 7 2.531 1.399 -1.512 68 H ASN 8 H ASN 8 1.227 2.256 -7.647 69 HA ASN 8 HA ASN 8 -0.636 4.473 -7.016 70 1HB ASN 8 3HB ASN 8 1.568 5.585 -8.237 71 2HB ASN 8 2HB ASN 8 1.260 5.566 -6.511 72 1HD2 ASN 8 1HD2 ASN 8 2.601 4.223 -5.195 73 2HD2 ASN 8 2HD2 ASN 8 3.874 3.290 -5.820 74 H ALA 9 H ALA 9 -1.566 5.528 -8.720 75 HA ALA 9 HA ALA 9 -1.838 4.168 -11.236 76 1HB ALA 9 1HB ALA 9 -3.665 5.495 -10.887 77 2HB ALA 9 2HB ALA 9 -2.698 6.667 -11.776 78 3HB ALA 9 3HB ALA 9 -2.740 6.712 -10.014 79 H PHE 10 H PHE 10 0.518 6.223 -9.955 80 HA PHE 10 HA PHE 10 1.393 7.541 -12.335 81 1HB PHE 10 3HB PHE 10 2.049 8.465 -10.302 82 2HB PHE 10 2HB PHE 10 2.581 6.917 -9.666 83 HD1 PHE 10 HD1 PHE 10 3.305 9.367 -12.379 84 HD2 PHE 10 HD2 PHE 10 4.847 6.316 -9.789 85 HE1 PHE 10 HE1 PHE 10 5.591 9.832 -13.191 86 HE2 PHE 10 HE2 PHE 10 7.144 6.782 -10.603 87 HZ PHE 10 HZ PHE 10 7.517 8.543 -12.309 88 H MET 11 H MET 11 2.850 4.815 -10.535 89 HA MET 11 HA MET 11 4.632 4.134 -12.665 90 1HB MET 11 3HB MET 11 3.499 2.564 -10.334 91 2HB MET 11 2HB MET 11 4.575 1.815 -11.515 92 1HG MET 11 2HG MET 11 5.824 4.235 -10.853 93 2HG MET 11 1HG MET 11 5.225 3.606 -9.318 94 1HE MET 11 1HE MET 11 7.395 1.142 -8.190 95 2HE MET 11 2HE MET 11 6.199 2.425 -8.010 96 3HE MET 11 3HE MET 11 7.894 2.838 -8.259 97 H VAL 12 H VAL 12 1.254 3.878 -12.241 98 HA VAL 12 HA VAL 12 0.907 1.637 -14.086 99 HB VAL 12 HB VAL 12 -0.935 3.551 -12.661 100 1HG1 VAL 12 1HG1 VAL 12 -2.017 3.333 -14.763 101 2HG1 VAL 12 2HG1 VAL 12 -2.815 2.173 -13.703 102 3HG1 VAL 12 3HG1 VAL 12 -1.619 1.619 -14.876 103 1HG2 VAL 12 1HG2 VAL 12 -0.760 1.883 -11.147 104 2HG2 VAL 12 2HG2 VAL 12 -0.014 0.796 -12.319 105 3HG2 VAL 12 3HG2 VAL 12 -1.767 0.948 -12.248 106 H TRP 13 H TRP 13 0.354 5.106 -13.978 107 HA TRP 13 HA TRP 13 -0.382 5.180 -16.822 108 1HB TRP 13 3HB TRP 13 -1.448 6.887 -15.760 109 2HB TRP 13 2HB TRP 13 -0.224 7.002 -14.505 110 HD1 TRP 13 HD1 TRP 13 -1.475 8.659 -17.518 111 HE1 TRP 13 HE1 TRP 13 0.061 10.593 -18.153 112 HE3 TRP 13 HE3 TRP 13 2.566 7.676 -14.552 113 HZ2 TRP 13 HZ2 TRP 13 2.662 11.601 -17.573 114 HZ3 TRP 13 HZ3 TRP 13 4.560 9.131 -14.624 115 HH2 TRP 13 HH2 TRP 13 4.610 11.094 -16.122 116 H ALA 14 H ALA 14 2.422 5.854 -14.856 117 HA ALA 14 HA ALA 14 4.034 6.994 -16.951 118 1HB ALA 14 1HB ALA 14 5.377 5.728 -14.654 119 2HB ALA 14 2HB ALA 14 4.181 6.954 -14.248 120 3HB ALA 14 3HB ALA 14 5.532 7.363 -15.296 121 H LYS 15 H LYS 15 3.298 3.727 -16.001 122 HA LYS 15 HA LYS 15 5.663 2.499 -17.031 123 1HB LYS 15 3HB LYS 15 4.306 0.409 -17.070 124 2HB LYS 15 2HB LYS 15 4.195 1.253 -15.526 125 1HG LYS 15 2HG LYS 15 1.980 1.553 -15.763 126 2HG LYS 15 1HG LYS 15 2.183 2.209 -17.388 127 1HD LYS 15 2HD LYS 15 2.426 -0.749 -16.880 128 2HD LYS 15 1HD LYS 15 0.847 -0.001 -17.123 129 1HE LYS 15 2HE LYS 15 2.308 1.094 -19.176 130 2HE LYS 15 1HE LYS 15 2.993 -0.528 -19.070 131 1HZ LYS 15 1HZ LYS 15 0.749 -1.434 -19.177 132 2HZ LYS 15 2HZ LYS 15 1.096 -0.490 -20.547 133 3HZ LYS 15 3HZ LYS 15 0.109 0.131 -19.312 134 H ASP 16 H ASP 16 2.764 3.740 -18.428 135 HA ASP 16 HA ASP 16 3.379 2.518 -21.048 136 1HB ASP 16 3HB ASP 16 0.973 3.246 -19.786 137 2HB ASP 16 2HB ASP 16 1.206 4.452 -21.051 138 H GLU 17 H GLU 17 3.496 5.450 -19.245 139 HA GLU 17 HA GLU 17 4.077 7.210 -21.462 140 1HB GLU 17 3HB GLU 17 3.662 7.347 -18.635 141 2HB GLU 17 2HB GLU 17 5.140 8.209 -19.029 142 1HG GLU 17 2HG GLU 17 3.052 8.736 -20.968 143 2HG GLU 17 1HG GLU 17 2.516 9.112 -19.336 144 H ARG 18 H ARG 18 5.917 5.310 -19.129 145 HA ARG 18 HA ARG 18 8.556 6.174 -19.839 146 1HB ARG 18 3HB ARG 18 7.280 4.015 -18.310 147 2HB ARG 18 2HB ARG 18 8.708 3.465 -19.179 148 1HG ARG 18 2HG ARG 18 9.126 6.040 -17.882 149 2HG ARG 18 1HG ARG 18 8.673 4.767 -16.755 150 1HD ARG 18 2HD ARG 18 11.212 5.110 -17.451 151 2HD ARG 18 1HD ARG 18 10.554 3.498 -17.186 152 HE ARG 18 HE ARG 18 10.905 4.728 -19.889 153 1HH1 ARG 18 1HH2 ARG 18 12.389 2.427 -18.173 154 2HH1 ARG 18 2HH2 ARG 18 11.964 1.075 -19.169 155 1HH2 ARG 18 1HH1 ARG 18 9.594 2.825 -20.995 156 2HH2 ARG 18 2HH1 ARG 18 10.383 1.301 -20.767 157 H ARG 19 H ARG 19 6.409 3.596 -20.795 158 HA ARG 19 HA ARG 19 8.125 2.485 -22.779 159 1HB ARG 19 3HB ARG 19 6.542 0.878 -22.742 160 2HB ARG 19 2HB ARG 19 5.774 1.791 -21.469 161 1HG ARG 19 2HG ARG 19 3.971 1.865 -22.798 162 2HG ARG 19 1HG ARG 19 4.835 3.025 -23.786 163 1HD ARG 19 2HD ARG 19 5.765 0.402 -24.460 164 2HD ARG 19 1HD ARG 19 4.003 0.403 -24.506 165 HE ARG 19 HE ARG 19 5.780 2.006 -26.240 166 1HH1 ARG 19 1HH1 ARG 19 3.117 0.184 -26.465 167 2HH1 ARG 19 2HH1 ARG 19 2.079 1.369 -27.185 168 1HH2 ARG 19 1HH2 ARG 19 4.233 4.017 -26.571 169 2HH2 ARG 19 2HH2 ARG 19 2.711 3.538 -27.245 170 H LYS 20 H LYS 20 5.573 4.888 -22.715 171 HA LYS 20 HA LYS 20 5.509 5.249 -25.558 172 1HB LYS 20 3HB LYS 20 3.546 5.934 -24.482 173 2HB LYS 20 2HB LYS 20 4.432 6.740 -23.196 174 1HG LYS 20 2HG LYS 20 5.264 8.308 -25.157 175 2HG LYS 20 1HG LYS 20 3.816 7.710 -25.964 176 1HD LYS 20 2HD LYS 20 2.521 8.330 -23.881 177 2HD LYS 20 1HD LYS 20 3.979 9.132 -23.299 178 1HE LYS 20 2HE LYS 20 2.910 9.778 -26.036 179 2HE LYS 20 1HE LYS 20 2.193 10.532 -24.611 180 1HZ LYS 20 1HZ LYS 20 3.916 11.887 -24.430 181 2HZ LYS 20 2HZ LYS 20 4.492 11.304 -25.919 182 3HZ LYS 20 3HZ LYS 20 5.021 10.600 -24.466 183 H ILE 21 H ILE 21 7.501 6.422 -23.001 184 HA ILE 21 HA ILE 21 8.637 8.484 -24.786 185 HB ILE 21 HB ILE 21 8.276 8.227 -21.940 186 1HG1 ILE 21 2HG1 ILE 21 9.436 10.697 -22.493 187 2HG1 ILE 21 1HG1 ILE 21 8.627 10.251 -23.998 188 1HG2 ILE 21 1HG2 ILE 21 10.620 7.431 -21.957 189 2HG2 ILE 21 2HG2 ILE 21 10.445 8.989 -21.149 190 3HG2 ILE 21 3HG2 ILE 21 11.098 8.911 -22.786 191 1HD1 ILE 21 1HD1 ILE 21 6.572 10.518 -23.092 192 2HD1 ILE 21 2HD1 ILE 21 7.389 11.352 -21.771 193 3HD1 ILE 21 3HD1 ILE 21 7.017 9.633 -21.634 194 H LEU 22 H LEU 22 9.654 5.692 -22.884 195 HA LEU 22 HA LEU 22 12.359 5.579 -23.501 196 1HB LEU 22 3HB LEU 22 10.888 3.991 -22.130 197 2HB LEU 22 2HB LEU 22 10.549 3.181 -23.654 198 HG LEU 22 HG LEU 22 13.085 3.146 -23.990 199 1HD1 LEU 22 1HD1 LEU 22 12.849 3.788 -21.039 200 2HD1 LEU 22 2HD1 LEU 22 13.750 4.687 -22.260 201 3HD1 LEU 22 3HD1 LEU 22 14.300 3.087 -21.758 202 1HD2 LEU 22 1HD2 LEU 22 12.856 0.996 -23.428 203 2HD2 LEU 22 2HD2 LEU 22 11.263 1.421 -22.802 204 3HD2 LEU 22 3HD2 LEU 22 12.659 1.401 -21.723 205 H GLN 23 H GLN 23 9.592 4.880 -25.469 206 HA GLN 23 HA GLN 23 10.914 3.531 -27.598 207 1HB GLN 23 3HB GLN 23 8.966 4.026 -28.897 208 2HB GLN 23 2HB GLN 23 8.414 3.711 -27.257 209 1HG GLN 23 2HG GLN 23 8.464 6.141 -26.822 210 2HG GLN 23 1HG GLN 23 8.901 6.411 -28.504 211 1HE2 GLN 23 1HE2 GLN 23 7.114 4.042 -29.297 212 2HE2 GLN 23 2HE2 GLN 23 5.539 4.674 -29.255 213 H ALA 24 H ALA 24 10.234 6.771 -26.800 214 HA ALA 24 HA ALA 24 11.599 7.880 -29.127 215 1HB ALA 24 1HB ALA 24 11.043 10.068 -27.865 216 2HB ALA 24 2HB ALA 24 10.106 9.034 -26.786 217 3HB ALA 24 3HB ALA 24 9.696 9.123 -28.500 218 H PHE 25 H PHE 25 12.436 6.867 -25.967 219 HA PHE 25 HA PHE 25 15.146 7.872 -26.322 220 1HB PHE 25 3HB PHE 25 13.732 8.714 -23.794 221 2HB PHE 25 2HB PHE 25 15.268 9.295 -24.436 222 HD1 PHE 25 HD1 PHE 25 11.622 9.569 -24.601 223 HD2 PHE 25 HD2 PHE 25 15.325 10.823 -26.383 224 HE1 PHE 25 HE1 PHE 25 10.434 11.396 -25.783 225 HE2 PHE 25 HE2 PHE 25 14.135 12.650 -27.566 226 HZ PHE 25 HZ PHE 25 11.690 12.936 -27.263 227 HA PRO 26 HA PRO 26 14.625 3.907 -23.978 228 1HB PRO 26 3HB PRO 26 16.155 2.429 -25.719 229 2HB PRO 26 2HB PRO 26 14.400 2.610 -25.866 230 1HG PRO 26 2HG PRO 26 16.566 3.934 -27.451 231 2HG PRO 26 1HG PRO 26 14.920 3.500 -27.943 232 1HD PRO 26 2HD PRO 26 15.742 6.090 -27.250 233 2HD PRO 26 1HD PRO 26 14.061 5.529 -27.264 234 H ASP 27 H ASP 27 17.017 6.062 -24.853 235 HA ASP 27 HA ASP 27 19.106 4.650 -23.271 236 1HB ASP 27 3HB ASP 27 19.182 6.287 -25.618 237 2HB ASP 27 2HB ASP 27 20.138 7.034 -24.344 238 H MET 28 H MET 28 17.050 7.429 -23.482 239 HA MET 28 HA MET 28 18.187 9.095 -21.484 240 1HB MET 28 3HB MET 28 16.552 10.077 -22.847 241 2HB MET 28 2HB MET 28 15.442 8.749 -22.580 242 1HG MET 28 2HG MET 28 14.724 9.560 -20.585 243 2HG MET 28 1HG MET 28 16.313 10.167 -20.159 244 1HE MET 28 1HE MET 28 15.186 11.190 -23.758 245 2HE MET 28 2HE MET 28 13.747 12.139 -23.393 246 3HE MET 28 3HE MET 28 13.805 10.434 -22.953 247 H HIS 29 H HIS 29 16.749 6.078 -21.202 248 HA HIS 29 HA HIS 29 15.308 6.263 -18.847 249 1HB HIS 29 3HB HIS 29 15.072 4.051 -19.026 250 2HB HIS 29 2HB HIS 29 16.109 4.158 -20.447 251 HD1 HIS 29 HD1 HIS 29 16.022 2.843 -17.004 252 HD2 HIS 29 HD2 HIS 29 18.914 3.899 -19.777 253 HE1 HIS 29 HE1 HIS 29 18.214 1.923 -16.113 254 H ASN 30 H ASN 30 18.771 5.734 -19.181 255 HA ASN 30 HA ASN 30 19.916 5.149 -16.946 256 1HB ASN 30 3HB ASN 30 20.592 7.072 -18.841 257 2HB ASN 30 2HB ASN 30 20.728 7.921 -17.301 258 1HD2 ASN 30 1HD2 ASN 30 21.869 5.005 -19.041 259 2HD2 ASN 30 2HD2 ASN 30 23.272 4.806 -18.108 260 H SER 31 H SER 31 18.073 5.144 -15.381 261 HA SER 31 HA SER 31 16.792 6.112 -13.650 262 1HB SER 31 3HB SER 31 18.442 5.852 -12.141 263 2HB SER 31 2HB SER 31 19.649 6.462 -13.254 264 HG SER 31 HG SER 31 19.317 8.470 -12.549 265 H ASN 32 H ASN 32 16.813 7.575 -16.149 266 HA ASN 32 HA ASN 32 16.690 10.415 -15.237 267 1HB ASN 32 3HB ASN 32 17.611 9.068 -17.597 268 2HB ASN 32 2HB ASN 32 16.434 10.308 -18.006 269 1HD2 ASN 32 1HD2 ASN 32 19.313 10.362 -18.578 270 2HD2 ASN 32 2HD2 ASN 32 19.950 11.710 -17.756 271 H ILE 33 H ILE 33 14.977 8.072 -17.295 272 HA ILE 33 HA ILE 33 12.694 9.550 -17.924 273 HB ILE 33 HB ILE 33 12.862 6.623 -17.180 274 1HG1 ILE 33 2HG1 ILE 33 14.279 7.780 -19.102 275 2HG1 ILE 33 1HG1 ILE 33 13.516 6.213 -19.366 276 1HG2 ILE 33 1HG2 ILE 33 10.834 6.536 -18.771 277 2HG2 ILE 33 2HG2 ILE 33 10.717 8.278 -18.517 278 3HG2 ILE 33 3HG2 ILE 33 10.551 7.174 -17.151 279 1HD1 ILE 33 1HD1 ILE 33 11.793 8.552 -19.934 280 2HD1 ILE 33 2HD1 ILE 33 12.007 7.058 -20.846 281 3HD1 ILE 33 3HD1 ILE 33 13.179 8.365 -21.009 282 H SER 34 H SER 34 13.452 7.872 -14.912 283 HA SER 34 HA SER 34 10.997 7.968 -13.583 284 1HB SER 34 3HB SER 34 13.789 7.883 -12.846 285 2HB SER 34 2HB SER 34 12.891 8.901 -11.725 286 HG SER 34 HG SER 34 12.590 6.173 -12.331 287 H LYS 35 H LYS 35 13.369 10.569 -14.040 288 HA LYS 35 HA LYS 35 11.826 12.512 -12.578 289 1HB LYS 35 3HB LYS 35 13.901 13.085 -14.703 290 2HB LYS 35 2HB LYS 35 13.437 14.114 -13.347 291 1HG LYS 35 2HG LYS 35 14.377 11.394 -12.632 292 2HG LYS 35 1HG LYS 35 15.601 12.477 -13.294 293 1HD LYS 35 2HD LYS 35 15.718 13.020 -11.035 294 2HD LYS 35 1HD LYS 35 14.542 14.207 -11.601 295 1HE LYS 35 2HE LYS 35 13.831 13.008 -9.510 296 2HE LYS 35 1HE LYS 35 12.697 12.829 -10.848 297 1HZ LYS 35 1HZ LYS 35 13.085 10.651 -10.981 298 2HZ LYS 35 2HZ LYS 35 13.758 10.796 -9.428 299 3HZ LYS 35 3HZ LYS 35 14.762 10.827 -10.798 300 H ILE 36 H ILE 36 11.896 11.239 -15.768 301 HA ILE 36 HA ILE 36 10.437 13.372 -17.032 302 HB ILE 36 HB ILE 36 11.149 10.588 -17.765 303 1HG1 ILE 36 2HG1 ILE 36 12.023 11.967 -19.801 304 2HG1 ILE 36 1HG1 ILE 36 11.761 13.360 -18.750 305 1HG2 ILE 36 1HG2 ILE 36 9.047 12.316 -19.031 306 2HG2 ILE 36 2HG2 ILE 36 9.019 10.577 -18.738 307 3HG2 ILE 36 3HG2 ILE 36 10.008 11.236 -20.041 308 1HD1 ILE 36 1HD1 ILE 36 13.106 11.967 -16.992 309 2HD1 ILE 36 2HD1 ILE 36 13.984 12.795 -18.279 310 3HD1 ILE 36 3HD1 ILE 36 13.671 11.064 -18.397 311 H LEU 37 H LEU 37 9.575 10.102 -16.024 312 HA LEU 37 HA LEU 37 6.775 10.258 -16.427 313 1HB LEU 37 3HB LEU 37 8.508 8.774 -14.468 314 2HB LEU 37 2HB LEU 37 6.759 8.599 -14.489 315 HG LEU 37 HG LEU 37 8.697 7.965 -16.717 316 1HD1 LEU 37 1HD1 LEU 37 7.125 6.510 -14.692 317 2HD1 LEU 37 2HD1 LEU 37 8.630 6.062 -15.487 318 3HD1 LEU 37 3HD1 LEU 37 7.089 5.818 -16.313 319 1HD2 LEU 37 1HD2 LEU 37 6.229 7.100 -17.565 320 2HD2 LEU 37 2HD2 LEU 37 6.986 8.601 -18.096 321 3HD2 LEU 37 3HD2 LEU 37 5.810 8.623 -16.781 322 H GLY 38 H GLY 38 8.546 10.467 -13.371 323 1HA GLY 38 2HA GLY 38 6.428 11.406 -11.757 324 2HA GLY 38 1HA GLY 38 8.134 11.649 -11.388 325 H SER 39 H SER 39 8.129 13.050 -14.205 326 HA SER 39 HA SER 39 7.336 15.662 -13.084 327 1HB SER 39 3HB SER 39 9.679 15.507 -13.891 328 2HB SER 39 2HB SER 39 9.086 15.038 -15.482 329 HG SER 39 HG SER 39 9.239 17.502 -14.312 330 H ARG 40 H ARG 40 6.528 13.216 -15.292 331 HA ARG 40 HA ARG 40 4.902 14.962 -16.993 332 1HB ARG 40 3HB ARG 40 5.833 12.168 -16.938 333 2HB ARG 40 2HB ARG 40 4.309 12.469 -17.743 334 1HG ARG 40 2HG ARG 40 5.957 14.528 -18.610 335 2HG ARG 40 1HG ARG 40 7.018 13.124 -18.586 336 1HD ARG 40 2HD ARG 40 5.872 12.051 -20.236 337 2HD ARG 40 1HD ARG 40 4.314 12.701 -19.732 338 HE ARG 40 HE ARG 40 4.688 14.589 -21.129 339 1HH1 ARG 40 1HH1 ARG 40 7.734 14.324 -20.107 340 2HH1 ARG 40 2HH1 ARG 40 8.511 14.368 -21.654 341 1HH2 ARG 40 1HH2 ARG 40 5.578 13.907 -23.442 342 2HH2 ARG 40 2HH2 ARG 40 7.293 14.132 -23.541 343 H TRP 41 H TRP 41 4.828 12.784 -14.337 344 HA TRP 41 HA TRP 41 2.016 12.331 -14.136 345 1HB TRP 41 3HB TRP 41 3.832 11.003 -13.035 346 2HB TRP 41 2HB TRP 41 4.092 12.363 -11.951 347 HD1 TRP 41 HD1 TRP 41 2.693 12.289 -9.819 348 HE1 TRP 41 HE1 TRP 41 0.455 11.177 -9.100 349 HE3 TRP 41 HE3 TRP 41 1.370 10.169 -14.207 350 HZ2 TRP 41 HZ2 TRP 41 -1.628 9.588 -10.303 351 HZ3 TRP 41 HZ3 TRP 41 -0.722 8.868 -14.405 352 HH2 TRP 41 HH2 TRP 41 -2.211 8.591 -12.520 353 H LYS 42 H LYS 42 4.176 14.368 -12.159 354 HA LYS 42 HA LYS 42 2.060 15.707 -10.800 355 1HB LYS 42 3HB LYS 42 4.985 16.122 -11.165 356 2HB LYS 42 2HB LYS 42 4.050 17.551 -10.719 357 1HG LYS 42 2HG LYS 42 2.975 15.816 -8.982 358 2HG LYS 42 1HG LYS 42 4.555 15.055 -9.170 359 1HD LYS 42 2HD LYS 42 5.227 17.712 -8.916 360 2HD LYS 42 1HD LYS 42 3.839 17.576 -7.834 361 1HE LYS 42 2HE LYS 42 5.618 15.292 -7.559 362 2HE LYS 42 1HE LYS 42 6.470 16.808 -7.260 363 1HZ LYS 42 1HZ LYS 42 4.376 17.351 -5.868 364 2HZ LYS 42 2HZ LYS 42 5.578 16.345 -5.212 365 3HZ LYS 42 3HZ LYS 42 4.155 15.670 -5.848 366 H ALA 43 H ALA 43 3.335 15.912 -13.946 367 HA ALA 43 HA ALA 43 2.374 18.598 -14.455 368 1HB ALA 43 1HB ALA 43 3.781 16.495 -16.080 369 2HB ALA 43 2HB ALA 43 4.380 18.079 -15.590 370 3HB ALA 43 3HB ALA 43 3.137 17.953 -16.834 371 H MET 44 H MET 44 0.806 15.797 -14.026 372 HA MET 44 HA MET 44 -0.846 15.731 -16.418 373 1HB MET 44 3HB MET 44 -1.085 14.365 -13.721 374 2HB MET 44 2HB MET 44 -2.169 14.074 -15.077 375 1HG MET 44 2HG MET 44 0.550 13.912 -15.992 376 2HG MET 44 1HG MET 44 0.330 12.856 -14.596 377 1HE MET 44 1HE MET 44 -1.421 11.532 -14.156 378 2HE MET 44 2HE MET 44 -1.955 10.286 -15.277 379 3HE MET 44 3HE MET 44 -2.947 11.721 -15.029 380 H THR 45 H THR 45 -3.210 15.313 -14.281 381 HA THR 45 HA THR 45 -3.763 18.220 -13.902 382 HB THR 45 HB THR 45 -4.837 17.735 -15.936 383 HG1 THR 45 HG1 THR 45 -6.987 17.124 -14.307 384 1HG2 THR 45 1HG2 THR 45 -5.037 15.097 -14.795 385 2HG2 THR 45 2HG2 THR 45 -5.052 15.592 -16.489 386 3HG2 THR 45 3HG2 THR 45 -6.548 15.602 -15.554 387 H ASN 46 H ASN 46 -4.310 14.929 -12.944 388 HA ASN 46 HA ASN 46 -4.735 14.296 -10.635 389 1HB ASN 46 3HB ASN 46 -6.507 16.763 -10.519 390 2HB ASN 46 2HB ASN 46 -6.160 15.656 -9.194 391 1HD2 ASN 46 1HD2 ASN 46 -5.273 17.633 -8.056 392 2HD2 ASN 46 2HD2 ASN 46 -3.691 18.138 -8.410 393 H LEU 47 H LEU 47 -7.142 15.709 -12.797 394 HA LEU 47 HA LEU 47 -9.168 13.698 -12.108 395 1HB LEU 47 3HB LEU 47 -8.969 15.909 -14.162 396 2HB LEU 47 2HB LEU 47 -10.261 14.710 -14.246 397 HG LEU 47 HG LEU 47 -10.866 16.810 -12.976 398 1HD1 LEU 47 1HD1 LEU 47 -12.359 15.295 -12.214 399 2HD1 LEU 47 2HD1 LEU 47 -11.325 15.159 -10.791 400 3HD1 LEU 47 3HD1 LEU 47 -11.142 14.023 -12.128 401 1HD2 LEU 47 1HD2 LEU 47 -9.919 17.128 -10.758 402 2HD2 LEU 47 2HD2 LEU 47 -8.600 17.076 -11.928 403 3HD2 LEU 47 3HD2 LEU 47 -8.944 15.667 -10.925 404 H GLU 48 H GLU 48 -6.593 14.195 -14.348 405 HA GLU 48 HA GLU 48 -7.340 11.994 -16.134 406 1HB GLU 48 3HB GLU 48 -6.101 13.958 -17.017 407 2HB GLU 48 2HB GLU 48 -4.755 13.573 -15.945 408 1HG GLU 48 2HG GLU 48 -3.995 12.409 -17.758 409 2HG GLU 48 1HG GLU 48 -5.099 11.169 -17.163 410 H LYS 49 H LYS 49 -5.498 12.593 -13.281 411 HA LYS 49 HA LYS 49 -3.921 10.125 -13.394 412 1HB LYS 49 3HB LYS 49 -4.510 12.136 -11.205 413 2HB LYS 49 2HB LYS 49 -3.480 10.730 -10.965 414 1HG LYS 49 2HG LYS 49 -1.804 11.543 -12.340 415 2HG LYS 49 1HG LYS 49 -2.924 12.509 -13.301 416 1HD LYS 49 2HD LYS 49 -1.392 13.829 -11.750 417 2HD LYS 49 1HD LYS 49 -3.114 14.168 -11.585 418 1HE LYS 49 2HE LYS 49 -3.255 12.684 -9.645 419 2HE LYS 49 1HE LYS 49 -1.561 12.237 -9.835 420 1HZ LYS 49 1HZ LYS 49 -0.842 14.268 -9.116 421 2HZ LYS 49 2HZ LYS 49 -2.259 14.115 -8.189 422 3HZ LYS 49 3HZ LYS 49 -2.255 15.076 -9.590 423 H GLN 50 H GLN 50 -7.048 11.088 -12.186 424 HA GLN 50 HA GLN 50 -7.499 9.123 -10.222 425 1HB GLN 50 3HB GLN 50 -9.401 10.543 -12.079 426 2HB GLN 50 2HB GLN 50 -9.918 9.552 -10.717 427 1HG GLN 50 2HG GLN 50 -7.880 11.260 -9.750 428 2HG GLN 50 1HG GLN 50 -8.978 12.263 -10.700 429 1HE2 GLN 50 1HE2 GLN 50 -9.527 13.151 -8.421 430 2HE2 GLN 50 2HE2 GLN 50 -10.714 12.326 -7.532 431 HA PRO 51 HA PRO 51 -9.476 6.372 -13.601 432 1HB PRO 51 3HB PRO 51 -8.626 6.767 -16.173 433 2HB PRO 51 2HB PRO 51 -10.060 7.514 -15.462 434 1HG PRO 51 2HG PRO 51 -7.409 8.746 -16.045 435 2HG PRO 51 1HG PRO 51 -9.009 9.506 -15.989 436 1HD PRO 51 2HD PRO 51 -7.068 9.633 -13.954 437 2HD PRO 51 1HD PRO 51 -8.781 10.045 -13.764 438 H TYR 52 H TYR 52 -6.115 7.340 -13.782 439 HA TYR 52 HA TYR 52 -5.258 4.702 -14.762 440 1HB TYR 52 3HB TYR 52 -3.530 6.797 -13.434 441 2HB TYR 52 2HB TYR 52 -3.024 5.531 -14.558 442 HD1 TYR 52 HD1 TYR 52 -5.570 5.851 -16.323 443 HD2 TYR 52 HD2 TYR 52 -2.650 8.612 -14.825 444 HE1 TYR 52 HE1 TYR 52 -6.040 7.358 -18.214 445 HE2 TYR 52 HE2 TYR 52 -3.113 10.127 -16.718 446 HH TYR 52 HH TYR 52 -4.105 10.272 -18.765 447 H TYR 53 H TYR 53 -6.566 5.783 -11.985 448 HA TYR 53 HA TYR 53 -4.845 4.361 -10.085 449 1HB TYR 53 3HB TYR 53 -6.859 6.362 -10.006 450 2HB TYR 53 2HB TYR 53 -7.432 5.012 -9.050 451 HD1 TYR 53 HD1 TYR 53 -6.552 4.633 -6.867 452 HD2 TYR 53 HD2 TYR 53 -4.491 7.246 -9.585 453 HE1 TYR 53 HE1 TYR 53 -5.021 5.321 -5.044 454 HE2 TYR 53 HE2 TYR 53 -2.961 7.930 -7.762 455 HH TYR 53 HH TYR 53 -2.258 7.442 -5.668 456 H GLU 54 H GLU 54 -8.058 3.947 -11.537 457 HA GLU 54 HA GLU 54 -8.622 1.462 -10.248 458 1HB GLU 54 3HB GLU 54 -9.758 2.927 -12.561 459 2HB GLU 54 2HB GLU 54 -10.276 1.281 -12.245 460 1HG GLU 54 2HG GLU 54 -10.231 2.860 -9.806 461 2HG GLU 54 1HG GLU 54 -11.262 3.607 -11.027 462 H GLU 55 H GLU 55 -7.406 2.213 -13.521 463 HA GLU 55 HA GLU 55 -7.230 -0.482 -14.376 464 1HB GLU 55 3HB GLU 55 -5.296 0.477 -15.840 465 2HB GLU 55 2HB GLU 55 -6.947 1.026 -16.121 466 1HG GLU 55 2HG GLU 55 -6.591 3.045 -15.001 467 2HG GLU 55 1HG GLU 55 -5.152 2.447 -14.180 468 H GLN 56 H GLN 56 -5.490 1.168 -11.984 469 HA GLN 56 HA GLN 56 -3.020 -0.346 -12.174 470 1HB GLN 56 3HB GLN 56 -2.946 1.767 -11.048 471 2HB GLN 56 2HB GLN 56 -4.266 1.295 -10.009 472 1HG GLN 56 2HG GLN 56 -2.376 -0.712 -9.619 473 2HG GLN 56 1HG GLN 56 -1.428 0.774 -9.695 474 1HE2 GLN 56 1HE2 GLN 56 -2.024 -0.867 -7.262 475 2HE2 GLN 56 2HE2 GLN 56 -2.832 0.173 -6.192 476 H ALA 57 H ALA 57 -5.693 -0.322 -9.886 477 HA ALA 57 HA ALA 57 -5.127 -2.627 -8.445 478 1HB ALA 57 1HB ALA 57 -7.801 -1.591 -9.434 479 2HB ALA 57 2HB ALA 57 -7.038 -1.235 -7.884 480 3HB ALA 57 3HB ALA 57 -7.636 -2.860 -8.220 481 H ARG 58 H ARG 58 -6.501 -2.336 -11.675 482 HA ARG 58 HA ARG 58 -7.117 -5.140 -12.001 483 1HB ARG 58 3HB ARG 58 -6.585 -2.959 -14.038 484 2HB ARG 58 2HB ARG 58 -7.193 -4.565 -14.434 485 1HG ARG 58 2HG ARG 58 -9.096 -4.108 -12.800 486 2HG ARG 58 1HG ARG 58 -8.549 -2.430 -12.775 487 1HD ARG 58 2HD ARG 58 -10.230 -2.506 -14.458 488 2HD ARG 58 1HD ARG 58 -8.700 -2.508 -15.336 489 HE ARG 58 HE ARG 58 -10.417 -4.916 -14.918 490 1HH1 ARG 58 1HH1 ARG 58 -9.037 -2.977 -17.235 491 2HH1 ARG 58 2HH1 ARG 58 -8.285 -4.252 -18.132 492 1HH2 ARG 58 1HH2 ARG 58 -8.935 -6.678 -15.743 493 2HH2 ARG 58 2HH2 ARG 58 -8.226 -6.346 -17.288 494 H LEU 59 H LEU 59 -4.528 -3.143 -13.406 495 HA LEU 59 HA LEU 59 -3.001 -5.339 -14.374 496 1HB LEU 59 3HB LEU 59 -1.124 -3.671 -14.449 497 2HB LEU 59 2HB LEU 59 -2.595 -3.125 -15.245 498 HG LEU 59 HG LEU 59 -3.141 -2.114 -12.871 499 1HD1 LEU 59 1HD1 LEU 59 -1.434 -2.741 -11.456 500 2HD1 LEU 59 2HD1 LEU 59 -0.717 -1.261 -12.096 501 3HD1 LEU 59 3HD1 LEU 59 -0.247 -2.827 -12.757 502 1HD2 LEU 59 1HD2 LEU 59 -1.253 -0.258 -13.754 503 2HD2 LEU 59 2HD2 LEU 59 -2.936 -0.348 -14.271 504 3HD2 LEU 59 3HD2 LEU 59 -1.681 -1.156 -15.210 505 H SER 60 H SER 60 -3.558 -4.358 -11.160 506 HA SER 60 HA SER 60 -0.945 -5.121 -10.101 507 1HB SER 60 3HB SER 60 -2.309 -3.620 -8.766 508 2HB SER 60 2HB SER 60 -3.661 -4.749 -8.796 509 HG SER 60 HG SER 60 -1.174 -5.610 -7.829 510 H LYS 61 H LYS 61 -4.143 -6.582 -10.396 511 HA LYS 61 HA LYS 61 -3.418 -9.134 -9.266 512 1HB LYS 61 3HB LYS 61 -5.764 -8.207 -9.559 513 2HB LYS 61 2HB LYS 61 -5.605 -8.556 -11.281 514 1HG LYS 61 2HG LYS 61 -6.677 -10.476 -10.382 515 2HG LYS 61 1HG LYS 61 -4.989 -10.954 -10.560 516 1HD LYS 61 2HD LYS 61 -4.567 -10.809 -8.261 517 2HD LYS 61 1HD LYS 61 -5.942 -9.738 -7.978 518 1HE LYS 61 2HE LYS 61 -6.585 -12.418 -9.082 519 2HE LYS 61 1HE LYS 61 -6.001 -12.385 -7.418 520 1HZ LYS 61 1HZ LYS 61 -8.434 -11.223 -8.561 521 2HZ LYS 61 2HZ LYS 61 -7.704 -10.424 -7.252 522 3HZ LYS 61 3HZ LYS 61 -8.213 -12.037 -7.090 523 H GLN 62 H GLN 62 -3.222 -7.686 -12.454 524 HA GLN 62 HA GLN 62 -2.679 -10.175 -13.859 525 1HB GLN 62 3HB GLN 62 -2.171 -7.287 -14.639 526 2HB GLN 62 2HB GLN 62 -2.011 -8.667 -15.726 527 1HG GLN 62 2HG GLN 62 -4.579 -8.549 -14.279 528 2HG GLN 62 1HG GLN 62 -4.313 -7.215 -15.403 529 1HE2 GLN 62 1HE2 GLN 62 -5.684 -10.212 -15.307 530 2HE2 GLN 62 2HE2 GLN 62 -5.456 -10.694 -16.919 531 H HIS 63 H HIS 63 -0.769 -7.783 -12.152 532 HA HIS 63 HA HIS 63 1.783 -8.462 -13.268 533 1HB HIS 63 3HB HIS 63 1.311 -6.423 -11.869 534 2HB HIS 63 2HB HIS 63 1.240 -7.477 -10.458 535 HD1 HIS 63 HD1 HIS 63 3.670 -8.770 -12.799 536 HD2 HIS 63 HD2 HIS 63 3.714 -5.854 -9.820 537 HE1 HIS 63 HE1 HIS 63 6.104 -8.355 -12.241 538 H LEU 64 H LEU 64 0.484 -9.366 -10.063 539 HA LEU 64 HA LEU 64 2.426 -11.278 -9.450 540 1HB LEU 64 3HB LEU 64 -0.526 -11.220 -8.785 541 2HB LEU 64 2HB LEU 64 0.599 -12.378 -8.080 542 HG LEU 64 HG LEU 64 1.732 -9.748 -7.886 543 1HD1 LEU 64 1HD1 LEU 64 0.100 -8.459 -6.903 544 2HD1 LEU 64 2HD1 LEU 64 -0.761 -9.855 -6.255 545 3HD1 LEU 64 3HD1 LEU 64 -0.937 -9.421 -7.956 546 1HD2 LEU 64 1HD2 LEU 64 1.828 -12.029 -6.472 547 2HD2 LEU 64 2HD2 LEU 64 0.612 -11.180 -5.519 548 3HD2 LEU 64 3HD2 LEU 64 2.210 -10.469 -5.748 549 H GLU 65 H GLU 65 -0.532 -11.710 -11.343 550 HA GLU 65 HA GLU 65 -0.138 -14.511 -11.782 551 1HB GLU 65 3HB GLU 65 -1.786 -12.375 -13.105 552 2HB GLU 65 2HB GLU 65 -1.709 -14.001 -13.784 553 1HG GLU 65 2HG GLU 65 -2.129 -14.464 -11.080 554 2HG GLU 65 1HG GLU 65 -3.124 -13.045 -11.409 555 H LYS 66 H LYS 66 1.525 -11.807 -12.918 556 HA LYS 66 HA LYS 66 2.133 -12.893 -15.576 557 1HB LYS 66 3HB LYS 66 2.880 -10.433 -14.060 558 2HB LYS 66 2HB LYS 66 3.949 -10.958 -15.353 559 1HG LYS 66 2HG LYS 66 1.339 -11.214 -16.378 560 2HG LYS 66 1HG LYS 66 1.375 -9.661 -15.541 561 1HD LYS 66 2HD LYS 66 3.671 -9.355 -16.772 562 2HD LYS 66 1HD LYS 66 3.046 -10.597 -17.858 563 1HE LYS 66 2HE LYS 66 1.625 -9.145 -18.840 564 2HE LYS 66 1HE LYS 66 1.045 -8.557 -17.282 565 1HZ LYS 66 1HZ LYS 66 2.111 -6.772 -18.429 566 2HZ LYS 66 2HZ LYS 66 3.506 -7.702 -18.703 567 3HZ LYS 66 3HZ LYS 66 3.098 -7.221 -17.125 568 H TYR 67 H TYR 67 3.680 -12.820 -12.398 569 HA TYR 67 HA TYR 67 5.826 -14.541 -13.582 570 1HB TYR 67 3HB TYR 67 7.338 -13.663 -11.804 571 2HB TYR 67 2HB TYR 67 6.805 -12.415 -12.928 572 HD1 TYR 67 HD1 TYR 67 6.920 -13.457 -9.488 573 HD2 TYR 67 HD2 TYR 67 4.777 -10.984 -12.270 574 HE1 TYR 67 HE1 TYR 67 5.973 -12.155 -7.600 575 HE2 TYR 67 HE2 TYR 67 3.829 -9.683 -10.384 576 HH TYR 67 HH TYR 67 4.385 -10.645 -7.023 577 HA PRO 68 HA PRO 68 3.606 -16.871 -10.272 578 1HB PRO 68 3HB PRO 68 2.994 -19.017 -11.860 579 2HB PRO 68 2HB PRO 68 1.943 -17.606 -11.691 580 1HG PRO 68 2HG PRO 68 3.690 -18.372 -13.979 581 2HG PRO 68 1HG PRO 68 2.204 -17.408 -13.977 582 1HD PRO 68 2HD PRO 68 4.834 -16.384 -14.138 583 2HD PRO 68 1HD PRO 68 3.369 -15.448 -13.783 584 H ASP 69 H ASP 69 5.142 -18.754 -12.847 585 HA ASP 69 HA ASP 69 6.711 -20.231 -10.882 586 1HB ASP 69 3HB ASP 69 7.477 -21.498 -12.959 587 2HB ASP 69 2HB ASP 69 5.750 -21.576 -12.606 588 H TYR 70 H TYR 70 7.391 -17.420 -11.240 589 HA TYR 70 HA TYR 70 9.631 -17.069 -12.941 590 1HB TYR 70 3HB TYR 70 9.974 -15.019 -11.840 591 2HB TYR 70 2HB TYR 70 8.247 -15.302 -11.622 592 HD1 TYR 70 HD1 TYR 70 10.368 -13.682 -9.880 593 HD2 TYR 70 HD2 TYR 70 8.510 -17.541 -9.546 594 HE1 TYR 70 HE1 TYR 70 10.682 -13.621 -7.421 595 HE2 TYR 70 HE2 TYR 70 8.823 -17.480 -7.089 596 HH TYR 70 HH TYR 70 10.825 -15.851 -5.531 Start of MODEL 30 1 HA PRO 1 HA PRO 1 3.407 -15.306 -13.828 2 1HB PRO 1 3HB PRO 1 6.194 -14.640 -13.721 3 2HB PRO 1 2HB PRO 1 5.442 -16.070 -14.444 4 1HG PRO 1 2HG PRO 1 6.622 -13.827 -15.785 5 2HG PRO 1 1HG PRO 1 5.884 -15.266 -16.502 6 1HD PRO 1 2HD PRO 1 4.837 -12.607 -16.448 7 2HD PRO 1 1HD PRO 1 4.087 -14.056 -17.127 8 H HIS 2 H HIS 2 5.204 -12.205 -13.691 9 HA HIS 2 HA HIS 2 4.099 -11.707 -11.011 10 1HB HIS 2 3HB HIS 2 7.041 -12.217 -11.502 11 2HB HIS 2 2HB HIS 2 6.456 -11.331 -10.093 12 HD1 HIS 2 HD1 HIS 2 6.401 -14.752 -11.674 13 HD2 HIS 2 HD2 HIS 2 5.182 -12.930 -8.128 14 HE1 HIS 2 HE1 HIS 2 5.748 -16.622 -10.095 15 H ILE 3 H ILE 3 3.227 -9.780 -11.829 16 HA ILE 3 HA ILE 3 5.151 -7.800 -12.952 17 HB ILE 3 HB ILE 3 2.975 -6.631 -13.617 18 1HG1 ILE 3 2HG1 ILE 3 1.758 -9.355 -13.184 19 2HG1 ILE 3 1HG1 ILE 3 1.676 -8.113 -11.935 20 1HG2 ILE 3 1HG2 ILE 3 3.605 -9.381 -14.728 21 2HG2 ILE 3 2HG2 ILE 3 4.344 -7.860 -15.234 22 3HG2 ILE 3 3HG2 ILE 3 2.636 -8.159 -15.553 23 1HD1 ILE 3 1HD1 ILE 3 -0.306 -8.204 -13.549 24 2HD1 ILE 3 2HD1 ILE 3 0.800 -7.599 -14.782 25 3HD1 ILE 3 3HD1 ILE 3 0.459 -6.628 -13.351 26 H LYS 4 H LYS 4 5.659 -7.779 -10.422 27 HA LYS 4 HA LYS 4 3.739 -6.174 -8.878 28 1HB LYS 4 3HB LYS 4 5.626 -8.037 -8.163 29 2HB LYS 4 2HB LYS 4 6.458 -6.528 -7.786 30 1HG LYS 4 2HG LYS 4 3.925 -6.055 -6.806 31 2HG LYS 4 1HG LYS 4 4.148 -7.770 -6.460 32 1HD LYS 4 2HD LYS 4 6.410 -5.911 -5.848 33 2HD LYS 4 1HD LYS 4 5.016 -5.906 -4.768 34 1HE LYS 4 2HE LYS 4 5.760 -7.793 -3.795 35 2HE LYS 4 1HE LYS 4 5.659 -8.628 -5.345 36 1HZ LYS 4 1HZ LYS 4 7.896 -7.156 -5.623 37 2HZ LYS 4 2HZ LYS 4 7.862 -8.787 -5.150 38 3HZ LYS 4 3HZ LYS 4 7.960 -7.559 -3.978 39 H ARG 5 H ARG 5 4.634 -4.845 -11.182 40 HA ARG 5 HA ARG 5 6.654 -2.892 -10.241 41 1HB ARG 5 3HB ARG 5 6.034 -4.000 -12.757 42 2HB ARG 5 2HB ARG 5 5.581 -2.298 -12.854 43 1HG ARG 5 2HG ARG 5 7.867 -1.803 -11.778 44 2HG ARG 5 1HG ARG 5 8.276 -3.474 -12.170 45 1HD ARG 5 2HD ARG 5 7.112 -2.437 -14.508 46 2HD ARG 5 1HD ARG 5 8.180 -1.164 -13.918 47 HE ARG 5 HE ARG 5 9.233 -3.939 -14.175 48 1HH1 ARG 5 1HH1 ARG 5 11.135 -1.826 -13.473 49 2HH1 ARG 5 2HH1 ARG 5 11.779 -1.339 -15.005 50 1HH2 ARG 5 1HH2 ARG 5 9.211 -2.777 -16.838 51 2HH2 ARG 5 2HH2 ARG 5 10.689 -1.876 -16.911 52 HA PRO 6 HA PRO 6 2.970 -0.008 -11.117 53 1HB PRO 6 3HB PRO 6 0.580 -1.133 -11.877 54 2HB PRO 6 2HB PRO 6 1.841 -0.634 -13.019 55 1HG PRO 6 2HG PRO 6 1.054 -3.375 -12.185 56 2HG PRO 6 1HG PRO 6 1.881 -2.845 -13.658 57 1HD PRO 6 2HD PRO 6 3.079 -4.043 -11.373 58 2HD PRO 6 1HD PRO 6 3.923 -3.322 -12.749 59 H MET 7 H MET 7 3.074 0.152 -8.861 60 HA MET 7 HA MET 7 1.083 -1.345 -7.254 61 1HB MET 7 3HB MET 7 3.580 0.164 -6.675 62 2HB MET 7 2HB MET 7 2.434 -0.189 -5.400 63 1HG MET 7 2HG MET 7 3.085 -2.477 -7.135 64 2HG MET 7 1HG MET 7 4.443 -1.869 -6.197 65 1HE MET 7 1HE MET 7 0.778 -2.954 -6.185 66 2HE MET 7 2HE MET 7 0.719 -1.474 -5.231 67 3HE MET 7 3HE MET 7 0.351 -3.018 -4.469 68 H ASN 8 H ASN 8 1.951 1.661 -8.576 69 HA ASN 8 HA ASN 8 -0.269 3.029 -7.162 70 1HB ASN 8 3HB ASN 8 1.449 5.020 -7.937 71 2HB ASN 8 2HB ASN 8 1.383 4.332 -6.324 72 1HD2 ASN 8 1HD2 ASN 8 3.465 3.901 -5.615 73 2HD2 ASN 8 2HD2 ASN 8 4.712 3.265 -6.576 74 H ALA 9 H ALA 9 -1.122 4.877 -8.476 75 HA ALA 9 HA ALA 9 -1.751 4.050 -11.148 76 1HB ALA 9 1HB ALA 9 -3.328 5.638 -10.924 77 2HB ALA 9 2HB ALA 9 -2.113 6.886 -10.649 78 3HB ALA 9 3HB ALA 9 -2.701 5.913 -9.301 79 H PHE 10 H PHE 10 0.720 6.027 -9.745 80 HA PHE 10 HA PHE 10 1.489 7.430 -12.110 81 1HB PHE 10 3HB PHE 10 2.146 8.327 -10.060 82 2HB PHE 10 2HB PHE 10 2.811 6.800 -9.506 83 HD1 PHE 10 HD1 PHE 10 3.242 9.258 -12.307 84 HD2 PHE 10 HD2 PHE 10 5.122 6.508 -9.599 85 HE1 PHE 10 HE1 PHE 10 5.467 9.910 -13.185 86 HE2 PHE 10 HE2 PHE 10 7.348 7.162 -10.478 87 HZ PHE 10 HZ PHE 10 7.519 8.866 -12.271 88 H MET 11 H MET 11 3.168 4.760 -10.424 89 HA MET 11 HA MET 11 4.897 4.206 -12.644 90 1HB MET 11 3HB MET 11 3.916 2.349 -10.442 91 2HB MET 11 2HB MET 11 5.262 2.010 -11.530 92 1HG MET 11 2HG MET 11 6.415 4.048 -10.697 93 2HG MET 11 1HG MET 11 5.093 4.309 -9.562 94 1HE MET 11 1HE MET 11 8.251 2.391 -10.497 95 2HE MET 11 2HE MET 11 7.024 1.196 -10.912 96 3HE MET 11 3HE MET 11 8.144 0.877 -9.590 97 H VAL 12 H VAL 12 1.584 3.724 -12.026 98 HA VAL 12 HA VAL 12 1.248 1.475 -13.850 99 HB VAL 12 HB VAL 12 -0.506 3.223 -12.162 100 1HG1 VAL 12 1HG1 VAL 12 -1.655 3.157 -14.347 101 2HG1 VAL 12 2HG1 VAL 12 -2.537 2.259 -13.112 102 3HG1 VAL 12 3HG1 VAL 12 -1.584 1.394 -14.318 103 1HG2 VAL 12 1HG2 VAL 12 -0.655 0.247 -12.499 104 2HG2 VAL 12 2HG2 VAL 12 -1.063 1.227 -11.089 105 3HG2 VAL 12 3HG2 VAL 12 0.626 0.975 -11.530 106 H TRP 13 H TRP 13 0.528 4.922 -13.750 107 HA TRP 13 HA TRP 13 -0.335 4.886 -16.571 108 1HB TRP 13 3HB TRP 13 -1.468 6.577 -15.563 109 2HB TRP 13 2HB TRP 13 -0.250 6.777 -14.315 110 HD1 TRP 13 HD1 TRP 13 -1.597 8.348 -17.327 111 HE1 TRP 13 HE1 TRP 13 -0.143 10.336 -18.002 112 HE3 TRP 13 HE3 TRP 13 2.529 7.535 -14.428 113 HZ2 TRP 13 HZ2 TRP 13 2.424 11.444 -17.470 114 HZ3 TRP 13 HZ3 TRP 13 4.464 9.062 -14.544 115 HH2 TRP 13 HH2 TRP 13 4.410 11.020 -16.049 116 H ALA 14 H ALA 14 2.492 5.690 -14.726 117 HA ALA 14 HA ALA 14 3.965 6.937 -16.865 118 1HB ALA 14 1HB ALA 14 5.588 7.290 -15.285 119 2HB ALA 14 2HB ALA 14 5.365 5.705 -14.549 120 3HB ALA 14 3HB ALA 14 4.222 7.000 -14.215 121 H LYS 15 H LYS 15 3.425 3.579 -16.039 122 HA LYS 15 HA LYS 15 5.897 2.605 -17.118 123 1HB LYS 15 3HB LYS 15 4.928 0.421 -17.039 124 2HB LYS 15 2HB LYS 15 4.266 1.277 -15.647 125 1HG LYS 15 2HG LYS 15 2.185 1.647 -16.739 126 2HG LYS 15 1HG LYS 15 2.836 1.192 -18.311 127 1HD LYS 15 2HD LYS 15 3.250 -1.115 -17.363 128 2HD LYS 15 1HD LYS 15 2.336 -0.617 -15.938 129 1HE LYS 15 2HE LYS 15 1.092 -0.143 -18.611 130 2HE LYS 15 1HE LYS 15 1.142 -1.803 -18.016 131 1HZ LYS 15 1HZ LYS 15 -0.350 -1.364 -16.431 132 2HZ LYS 15 2HZ LYS 15 -0.740 0.001 -17.365 133 3HZ LYS 15 3HZ LYS 15 0.327 0.145 -16.051 134 H ASP 16 H ASP 16 2.908 3.679 -18.362 135 HA ASP 16 HA ASP 16 3.546 2.727 -21.078 136 1HB ASP 16 3HB ASP 16 1.247 4.472 -20.950 137 2HB ASP 16 2HB ASP 16 1.331 2.777 -21.376 138 H GLU 17 H GLU 17 3.103 5.668 -19.199 139 HA GLU 17 HA GLU 17 3.663 7.555 -21.245 140 1HB GLU 17 3HB GLU 17 3.254 7.499 -18.434 141 2HB GLU 17 2HB GLU 17 4.760 8.368 -18.715 142 1HG GLU 17 2HG GLU 17 2.814 9.148 -20.676 143 2HG GLU 17 1HG GLU 17 2.118 9.292 -19.066 144 H ARG 18 H ARG 18 5.685 5.570 -19.173 145 HA ARG 18 HA ARG 18 8.189 6.794 -20.066 146 1HB ARG 18 3HB ARG 18 9.303 5.135 -18.738 147 2HB ARG 18 2HB ARG 18 7.893 5.644 -17.821 148 1HG ARG 18 2HG ARG 18 7.617 3.373 -17.634 149 2HG ARG 18 1HG ARG 18 6.769 3.619 -19.158 150 1HD ARG 18 2HD ARG 18 8.613 2.870 -20.439 151 2HD ARG 18 1HD ARG 18 9.732 3.060 -19.088 152 HE ARG 18 HE ARG 18 8.244 1.151 -18.040 153 1HH1 ARG 18 1HH1 ARG 18 10.338 1.056 -20.564 154 2HH1 ARG 18 2HH1 ARG 18 9.704 -0.372 -21.313 155 1HH2 ARG 18 1HH2 ARG 18 6.859 -0.466 -19.331 156 2HH2 ARG 18 2HH2 ARG 18 7.733 -1.234 -20.615 157 H ARG 19 H ARG 19 6.213 3.998 -20.825 158 HA ARG 19 HA ARG 19 8.052 2.789 -22.665 159 1HB ARG 19 3HB ARG 19 5.221 2.497 -21.886 160 2HB ARG 19 2HB ARG 19 5.539 2.128 -23.579 161 1HG ARG 19 2HG ARG 19 7.601 0.996 -21.902 162 2HG ARG 19 1HG ARG 19 6.008 0.459 -21.366 163 1HD ARG 19 2HD ARG 19 6.752 -1.099 -23.050 164 2HD ARG 19 1HD ARG 19 5.497 -0.100 -23.785 165 HE ARG 19 HE ARG 19 8.112 1.042 -24.233 166 1HH1 ARG 19 1HH1 ARG 19 7.152 -2.068 -24.897 167 2HH1 ARG 19 2HH1 ARG 19 7.245 -1.935 -26.621 168 1HH2 ARG 19 1HH2 ARG 19 7.715 1.501 -26.594 169 2HH2 ARG 19 2HH2 ARG 19 7.564 0.087 -27.583 170 H LYS 20 H LYS 20 5.531 5.213 -22.795 171 HA LYS 20 HA LYS 20 5.592 5.558 -25.638 172 1HB LYS 20 3HB LYS 20 3.830 6.319 -23.795 173 2HB LYS 20 2HB LYS 20 4.785 7.801 -23.846 174 1HG LYS 20 2HG LYS 20 3.921 8.390 -25.844 175 2HG LYS 20 1HG LYS 20 4.227 6.788 -26.519 176 1HD LYS 20 2HD LYS 20 2.188 6.061 -25.051 177 2HD LYS 20 1HD LYS 20 1.801 7.782 -25.047 178 1HE LYS 20 2HE LYS 20 0.945 7.614 -27.120 179 2HE LYS 20 1HE LYS 20 2.492 7.016 -27.721 180 1HZ LYS 20 1HZ LYS 20 1.524 5.060 -28.002 181 2HZ LYS 20 2HZ LYS 20 0.092 5.591 -27.259 182 3HZ LYS 20 3HZ LYS 20 1.344 4.929 -26.321 183 H ILE 21 H ILE 21 7.565 6.637 -23.048 184 HA ILE 21 HA ILE 21 8.798 8.718 -24.749 185 HB ILE 21 HB ILE 21 8.374 8.377 -21.910 186 1HG1 ILE 21 2HG1 ILE 21 9.738 10.813 -22.657 187 2HG1 ILE 21 1HG1 ILE 21 8.497 10.416 -23.847 188 1HG2 ILE 21 1HG2 ILE 21 11.214 9.133 -22.624 189 2HG2 ILE 21 2HG2 ILE 21 10.760 7.541 -22.024 190 3HG2 ILE 21 3HG2 ILE 21 10.518 8.963 -21.014 191 1HD1 ILE 21 1HD1 ILE 21 8.043 11.664 -21.419 192 2HD1 ILE 21 2HD1 ILE 21 7.614 9.987 -21.084 193 3HD1 ILE 21 3HD1 ILE 21 6.816 10.855 -22.396 194 H LEU 22 H LEU 22 9.691 5.871 -22.870 195 HA LEU 22 HA LEU 22 12.393 5.630 -23.514 196 1HB LEU 22 3HB LEU 22 10.691 4.138 -22.152 197 2HB LEU 22 2HB LEU 22 10.623 3.234 -23.663 198 HG LEU 22 HG LEU 22 13.185 3.305 -23.610 199 1HD1 LEU 22 1HD1 LEU 22 13.731 4.852 -21.956 200 2HD1 LEU 22 2HD1 LEU 22 13.867 3.334 -21.068 201 3HD1 LEU 22 3HD1 LEU 22 12.421 4.330 -20.899 202 1HD2 LEU 22 1HD2 LEU 22 13.115 1.210 -22.688 203 2HD2 LEU 22 2HD2 LEU 22 11.382 1.481 -22.875 204 3HD2 LEU 22 3HD2 LEU 22 12.150 1.739 -21.308 205 H GLN 23 H GLN 23 9.573 5.100 -25.441 206 HA GLN 23 HA GLN 23 10.746 3.597 -27.559 207 1HB GLN 23 3HB GLN 23 8.840 4.343 -28.865 208 2HB GLN 23 2HB GLN 23 8.298 3.944 -27.240 209 1HG GLN 23 2HG GLN 23 8.559 6.331 -26.628 210 2HG GLN 23 1HG GLN 23 8.941 6.683 -28.308 211 1HE2 GLN 23 1HE2 GLN 23 6.492 4.290 -27.299 212 2HE2 GLN 23 2HE2 GLN 23 5.163 5.145 -27.918 213 H ALA 24 H ALA 24 10.398 6.882 -26.756 214 HA ALA 24 HA ALA 24 11.827 7.843 -29.125 215 1HB ALA 24 1HB ALA 24 11.460 10.096 -27.891 216 2HB ALA 24 2HB ALA 24 10.412 9.161 -26.825 217 3HB ALA 24 3HB ALA 24 10.046 9.269 -28.547 218 H PHE 25 H PHE 25 12.572 6.771 -25.996 219 HA PHE 25 HA PHE 25 15.333 7.703 -26.301 220 1HB PHE 25 3HB PHE 25 13.841 8.283 -23.731 221 2HB PHE 25 2HB PHE 25 15.465 8.804 -24.176 222 HD1 PHE 25 HD1 PHE 25 11.897 9.470 -24.495 223 HD2 PHE 25 HD2 PHE 25 15.790 10.479 -26.006 224 HE1 PHE 25 HE1 PHE 25 10.962 11.518 -25.537 225 HE2 PHE 25 HE2 PHE 25 14.855 12.526 -27.047 226 HZ PHE 25 HZ PHE 25 12.441 13.046 -26.813 227 HA PRO 26 HA PRO 26 14.728 3.428 -24.611 228 1HB PRO 26 3HB PRO 26 16.315 2.261 -26.527 229 2HB PRO 26 2HB PRO 26 14.563 2.468 -26.687 230 1HG PRO 26 2HG PRO 26 16.770 4.047 -27.960 231 2HG PRO 26 1HG PRO 26 15.149 3.682 -28.578 232 1HD PRO 26 2HD PRO 26 15.881 6.135 -27.458 233 2HD PRO 26 1HD PRO 26 14.218 5.541 -27.573 234 H ASP 27 H ASP 27 17.126 5.720 -24.895 235 HA ASP 27 HA ASP 27 19.199 4.000 -23.642 236 1HB ASP 27 3HB ASP 27 19.358 5.999 -25.614 237 2HB ASP 27 2HB ASP 27 20.051 6.685 -24.149 238 H MET 28 H MET 28 16.955 6.549 -23.198 239 HA MET 28 HA MET 28 18.045 7.764 -20.901 240 1HB MET 28 3HB MET 28 15.813 8.232 -22.445 241 2HB MET 28 2HB MET 28 15.140 7.626 -20.937 242 1HG MET 28 2HG MET 28 15.854 9.426 -19.723 243 2HG MET 28 1HG MET 28 17.332 9.596 -20.665 244 1HE MET 28 1HE MET 28 13.295 10.522 -22.583 245 2HE MET 28 2HE MET 28 13.330 10.179 -20.855 246 3HE MET 28 3HE MET 28 13.929 8.980 -21.998 247 H HIS 29 H HIS 29 18.701 6.591 -19.496 248 HA HIS 29 HA HIS 29 17.934 4.059 -18.728 249 1HB HIS 29 3HB HIS 29 19.905 5.697 -18.127 250 2HB HIS 29 2HB HIS 29 18.915 5.992 -16.694 251 HD1 HIS 29 HD1 HIS 29 19.243 4.331 -14.848 252 HD2 HIS 29 HD2 HIS 29 20.200 2.797 -18.594 253 HE1 HIS 29 HE1 HIS 29 20.035 1.966 -14.440 254 H ASN 30 H ASN 30 16.536 3.214 -17.178 255 HA ASN 30 HA ASN 30 14.101 4.501 -16.581 256 1HB ASN 30 3HB ASN 30 15.524 2.104 -15.682 257 2HB ASN 30 2HB ASN 30 14.583 2.838 -14.384 258 1HD2 ASN 30 1HD2 ASN 30 12.679 1.622 -14.302 259 2HD2 ASN 30 2HD2 ASN 30 11.696 1.278 -15.643 260 H SER 31 H SER 31 17.249 4.694 -15.102 261 HA SER 31 HA SER 31 16.490 5.936 -12.633 262 1HB SER 31 3HB SER 31 18.898 6.813 -12.727 263 2HB SER 31 2HB SER 31 18.702 5.065 -12.763 264 HG SER 31 HG SER 31 19.811 6.687 -14.585 265 H ASN 32 H ASN 32 16.380 7.007 -15.853 266 HA ASN 32 HA ASN 32 16.342 9.864 -15.007 267 1HB ASN 32 3HB ASN 32 17.777 8.655 -17.046 268 2HB ASN 32 2HB ASN 32 16.418 9.426 -17.857 269 1HD2 ASN 32 1HD2 ASN 32 16.854 11.551 -18.434 270 2HD2 ASN 32 2HD2 ASN 32 17.873 12.605 -17.578 271 H ILE 33 H ILE 33 14.679 7.438 -17.005 272 HA ILE 33 HA ILE 33 12.572 9.022 -17.993 273 HB ILE 33 HB ILE 33 12.465 6.161 -16.990 274 1HG1 ILE 33 2HG1 ILE 33 14.088 6.836 -18.875 275 2HG1 ILE 33 1HG1 ILE 33 12.967 5.518 -19.220 276 1HG2 ILE 33 1HG2 ILE 33 10.599 6.522 -19.041 277 2HG2 ILE 33 2HG2 ILE 33 10.408 7.949 -18.023 278 3HG2 ILE 33 3HG2 ILE 33 10.235 6.339 -17.325 279 1HD1 ILE 33 1HD1 ILE 33 11.793 6.739 -20.741 280 2HD1 ILE 33 2HD1 ILE 33 13.277 7.686 -20.835 281 3HD1 ILE 33 3HD1 ILE 33 11.947 8.232 -19.815 282 H SER 34 H SER 34 13.116 7.697 -14.803 283 HA SER 34 HA SER 34 10.585 8.036 -13.615 284 1HB SER 34 3HB SER 34 13.397 8.018 -12.687 285 2HB SER 34 2HB SER 34 12.220 8.738 -11.592 286 HG SER 34 HG SER 34 11.027 6.812 -11.709 287 H LYS 35 H LYS 35 13.224 10.408 -13.985 288 HA LYS 35 HA LYS 35 11.837 12.520 -12.642 289 1HB LYS 35 3HB LYS 35 14.013 12.669 -14.754 290 2HB LYS 35 2HB LYS 35 13.506 14.003 -13.716 291 1HG LYS 35 2HG LYS 35 14.249 12.850 -11.740 292 2HG LYS 35 1HG LYS 35 14.533 11.363 -12.646 293 1HD LYS 35 2HD LYS 35 16.487 12.143 -13.583 294 2HD LYS 35 1HD LYS 35 15.949 13.822 -13.565 295 1HE LYS 35 2HE LYS 35 16.059 13.501 -10.944 296 2HE LYS 35 1HE LYS 35 17.180 12.206 -11.362 297 1HZ LYS 35 1HZ LYS 35 18.747 13.682 -11.821 298 2HZ LYS 35 2HZ LYS 35 17.731 14.903 -11.220 299 3HZ LYS 35 3HZ LYS 35 17.732 14.534 -12.879 300 H ILE 36 H ILE 36 11.851 11.185 -15.812 301 HA ILE 36 HA ILE 36 10.456 13.348 -17.094 302 HB ILE 36 HB ILE 36 11.074 10.530 -17.803 303 1HG1 ILE 36 2HG1 ILE 36 12.154 11.758 -19.766 304 2HG1 ILE 36 1HG1 ILE 36 11.805 13.248 -18.889 305 1HG2 ILE 36 1HG2 ILE 36 10.032 11.449 -20.122 306 2HG2 ILE 36 2HG2 ILE 36 8.983 12.277 -18.972 307 3HG2 ILE 36 3HG2 ILE 36 9.093 10.516 -18.956 308 1HD1 ILE 36 1HD1 ILE 36 13.474 10.929 -17.870 309 2HD1 ILE 36 2HD1 ILE 36 13.081 12.377 -16.942 310 3HD1 ILE 36 3HD1 ILE 36 14.084 12.501 -18.386 311 H LEU 37 H LEU 37 9.569 10.124 -15.987 312 HA LEU 37 HA LEU 37 6.759 10.322 -16.394 313 1HB LEU 37 3HB LEU 37 8.454 8.763 -14.453 314 2HB LEU 37 2HB LEU 37 6.707 8.607 -14.535 315 HG LEU 37 HG LEU 37 8.671 8.080 -16.774 316 1HD1 LEU 37 1HD1 LEU 37 6.904 5.930 -16.115 317 2HD1 LEU 37 2HD1 LEU 37 7.655 6.520 -14.633 318 3HD1 LEU 37 3HD1 LEU 37 8.661 5.988 -15.981 319 1HD2 LEU 37 1HD2 LEU 37 6.095 7.096 -17.406 320 2HD2 LEU 37 2HD2 LEU 37 6.937 8.433 -18.186 321 3HD2 LEU 37 3HD2 LEU 37 5.847 8.746 -16.836 322 H GLY 38 H GLY 38 8.613 10.563 -13.368 323 1HA GLY 38 2HA GLY 38 6.509 11.508 -11.733 324 2HA GLY 38 1HA GLY 38 8.217 11.817 -11.419 325 H SER 39 H SER 39 8.115 13.090 -14.299 326 HA SER 39 HA SER 39 7.284 15.740 -13.295 327 1HB SER 39 3HB SER 39 9.569 15.764 -14.096 328 2HB SER 39 2HB SER 39 9.110 14.907 -15.564 329 HG SER 39 HG SER 39 7.745 17.262 -15.053 330 H ARG 40 H ARG 40 6.544 13.178 -15.388 331 HA ARG 40 HA ARG 40 4.828 14.779 -17.136 332 1HB ARG 40 3HB ARG 40 5.671 11.933 -16.913 333 2HB ARG 40 2HB ARG 40 4.357 12.391 -17.969 334 1HG ARG 40 2HG ARG 40 6.690 14.129 -18.213 335 2HG ARG 40 1HG ARG 40 7.042 12.452 -18.621 336 1HD ARG 40 2HD ARG 40 5.637 12.451 -20.423 337 2HD ARG 40 1HD ARG 40 4.540 13.634 -19.720 338 HE ARG 40 HE ARG 40 5.871 15.359 -20.654 339 1HH1 ARG 40 1HH1 ARG 40 8.495 14.215 -19.597 340 2HH1 ARG 40 2HH1 ARG 40 9.351 13.924 -21.075 341 1HH2 ARG 40 1HH2 ARG 40 6.527 14.164 -23.070 342 2HH2 ARG 40 2HH2 ARG 40 8.238 13.895 -23.039 343 H TRP 41 H TRP 41 4.863 12.686 -14.410 344 HA TRP 41 HA TRP 41 2.098 12.116 -14.127 345 1HB TRP 41 3HB TRP 41 3.994 11.003 -12.924 346 2HB TRP 41 2HB TRP 41 4.174 12.470 -11.970 347 HD1 TRP 41 HD1 TRP 41 2.820 12.445 -9.804 348 HE1 TRP 41 HE1 TRP 41 0.672 11.237 -8.973 349 HE3 TRP 41 HE3 TRP 41 1.535 10.059 -14.047 350 HZ2 TRP 41 HZ2 TRP 41 -1.366 9.445 -10.079 351 HZ3 TRP 41 HZ3 TRP 41 -0.464 8.635 -14.159 352 HH2 TRP 41 HH2 TRP 41 -1.914 8.315 -12.246 353 H LYS 42 H LYS 42 4.131 14.456 -12.330 354 HA LYS 42 HA LYS 42 1.899 15.765 -11.125 355 1HB LYS 42 3HB LYS 42 4.741 16.645 -11.674 356 2HB LYS 42 2HB LYS 42 3.582 17.692 -10.850 357 1HG LYS 42 2HG LYS 42 3.283 15.275 -9.529 358 2HG LYS 42 1HG LYS 42 5.018 15.344 -9.840 359 1HD LYS 42 2HD LYS 42 5.302 16.924 -8.264 360 2HD LYS 42 1HD LYS 42 4.043 17.931 -8.980 361 1HE LYS 42 2HE LYS 42 2.320 16.560 -7.830 362 2HE LYS 42 1HE LYS 42 3.602 15.618 -7.068 363 1HZ LYS 42 1HZ LYS 42 4.429 17.973 -6.366 364 2HZ LYS 42 2HZ LYS 42 3.215 17.185 -5.475 365 3HZ LYS 42 3HZ LYS 42 2.804 18.398 -6.592 366 H ALA 43 H ALA 43 2.949 15.681 -14.291 367 HA ALA 43 HA ALA 43 2.029 18.316 -15.060 368 1HB ALA 43 1HB ALA 43 3.924 17.751 -16.298 369 2HB ALA 43 2HB ALA 43 2.644 17.222 -17.392 370 3HB ALA 43 3HB ALA 43 3.474 16.047 -16.371 371 H MET 44 H MET 44 0.120 16.597 -13.897 372 HA MET 44 HA MET 44 -1.674 15.982 -16.192 373 1HB MET 44 3HB MET 44 -2.326 13.988 -14.920 374 2HB MET 44 2HB MET 44 -0.578 14.010 -15.091 375 1HG MET 44 2HG MET 44 -0.428 15.136 -12.866 376 2HG MET 44 1HG MET 44 -2.139 14.943 -12.692 377 1HE MET 44 1HE MET 44 -1.497 10.886 -13.816 378 2HE MET 44 2HE MET 44 -0.873 12.189 -14.811 379 3HE MET 44 3HE MET 44 -2.542 12.237 -14.256 380 H THR 45 H THR 45 -3.930 15.313 -14.613 381 HA THR 45 HA THR 45 -4.385 17.903 -13.185 382 HB THR 45 HB THR 45 -6.882 17.097 -13.596 383 HG1 THR 45 HG1 THR 45 -6.942 16.010 -15.629 384 1HG2 THR 45 1HG2 THR 45 -5.285 19.003 -14.663 385 2HG2 THR 45 2HG2 THR 45 -6.945 18.730 -15.193 386 3HG2 THR 45 3HG2 THR 45 -5.604 18.033 -16.102 387 H ASN 46 H ASN 46 -3.944 14.592 -12.738 388 HA ASN 46 HA ASN 46 -4.020 13.348 -10.735 389 1HB ASN 46 3HB ASN 46 -5.529 15.601 -9.419 390 2HB ASN 46 2HB ASN 46 -4.442 14.425 -8.679 391 1HD2 ASN 46 1HD2 ASN 46 -2.227 14.612 -10.451 392 2HD2 ASN 46 2HD2 ASN 46 -1.559 16.168 -10.330 393 H LEU 47 H LEU 47 -6.933 15.347 -11.157 394 HA LEU 47 HA LEU 47 -8.766 13.322 -10.284 395 1HB LEU 47 3HB LEU 47 -9.032 15.960 -10.868 396 2HB LEU 47 2HB LEU 47 -9.681 15.257 -12.350 397 HG LEU 47 HG LEU 47 -10.616 13.986 -9.849 398 1HD1 LEU 47 1HD1 LEU 47 -12.381 16.008 -9.879 399 2HD1 LEU 47 2HD1 LEU 47 -10.952 16.889 -10.418 400 3HD1 LEU 47 3HD1 LEU 47 -10.935 16.042 -8.871 401 1HD2 LEU 47 1HD2 LEU 47 -11.390 14.247 -12.578 402 2HD2 LEU 47 2HD2 LEU 47 -12.664 14.975 -11.601 403 3HD2 LEU 47 3HD2 LEU 47 -12.183 13.303 -11.316 404 H GLU 48 H GLU 48 -7.118 13.989 -13.282 405 HA GLU 48 HA GLU 48 -8.812 12.347 -14.941 406 1HB GLU 48 3HB GLU 48 -6.309 13.830 -15.254 407 2HB GLU 48 2HB GLU 48 -6.340 12.323 -16.166 408 1HG GLU 48 2HG GLU 48 -8.894 13.602 -16.437 409 2HG GLU 48 1HG GLU 48 -7.637 14.776 -16.817 410 H LYS 49 H LYS 49 -6.361 11.710 -12.627 411 HA LYS 49 HA LYS 49 -5.646 9.114 -13.731 412 1HB LYS 49 3HB LYS 49 -4.856 10.616 -11.263 413 2HB LYS 49 2HB LYS 49 -4.322 8.964 -11.576 414 1HG LYS 49 2HG LYS 49 -3.916 11.333 -13.410 415 2HG LYS 49 1HG LYS 49 -2.671 10.557 -12.433 416 1HD LYS 49 2HD LYS 49 -2.343 9.001 -14.032 417 2HD LYS 49 1HD LYS 49 -4.032 8.553 -14.000 418 1HE LYS 49 2HE LYS 49 -2.826 10.839 -15.583 419 2HE LYS 49 1HE LYS 49 -3.369 9.301 -16.247 420 1HZ LYS 49 1HZ LYS 49 -5.605 9.815 -15.433 421 2HZ LYS 49 2HZ LYS 49 -5.049 10.972 -16.543 422 3HZ LYS 49 3HZ LYS 49 -5.052 11.322 -14.883 423 H GLN 50 H GLN 50 -8.451 9.813 -12.620 424 HA GLN 50 HA GLN 50 -8.810 8.198 -10.306 425 1HB GLN 50 3HB GLN 50 -11.012 8.731 -10.479 426 2HB GLN 50 2HB GLN 50 -10.404 9.910 -11.629 427 1HG GLN 50 2HG GLN 50 -11.744 9.001 -13.179 428 2HG GLN 50 1HG GLN 50 -10.801 7.526 -13.100 429 1HE2 GLN 50 1HE2 GLN 50 -12.863 8.901 -10.516 430 2HE2 GLN 50 2HE2 GLN 50 -13.924 7.578 -10.447 431 HA PRO 51 HA PRO 51 -9.639 4.587 -13.352 432 1HB PRO 51 3HB PRO 51 -8.503 4.782 -15.835 433 2HB PRO 51 2HB PRO 51 -10.152 5.292 -15.462 434 1HG PRO 51 2HG PRO 51 -7.756 6.968 -15.981 435 2HG PRO 51 1HG PRO 51 -9.469 7.373 -16.176 436 1HD PRO 51 2HD PRO 51 -7.782 8.145 -14.032 437 2HD PRO 51 1HD PRO 51 -9.540 8.352 -14.110 438 H TYR 52 H TYR 52 -6.558 6.221 -14.104 439 HA TYR 52 HA TYR 52 -4.929 3.855 -14.110 440 1HB TYR 52 3HB TYR 52 -4.087 6.633 -13.244 441 2HB TYR 52 2HB TYR 52 -3.041 5.345 -13.842 442 HD1 TYR 52 HD1 TYR 52 -2.817 4.898 -16.165 443 HD2 TYR 52 HD2 TYR 52 -5.725 7.709 -14.771 444 HE1 TYR 52 HE1 TYR 52 -3.186 5.662 -18.475 445 HE2 TYR 52 HE2 TYR 52 -6.108 8.488 -17.068 446 HH TYR 52 HH TYR 52 -5.709 7.196 -19.539 447 H TYR 53 H TYR 53 -6.574 5.622 -11.743 448 HA TYR 53 HA TYR 53 -4.903 4.948 -9.494 449 1HB TYR 53 3HB TYR 53 -7.337 6.422 -10.080 450 2HB TYR 53 2HB TYR 53 -7.462 5.512 -8.592 451 HD1 TYR 53 HD1 TYR 53 -7.091 7.007 -6.803 452 HD2 TYR 53 HD2 TYR 53 -4.547 7.130 -10.258 453 HE1 TYR 53 HE1 TYR 53 -5.658 8.692 -5.692 454 HE2 TYR 53 HE2 TYR 53 -3.114 8.814 -9.151 455 HH TYR 53 HH TYR 53 -2.580 9.524 -6.820 456 H GLU 54 H GLU 54 -8.153 3.842 -10.504 457 HA GLU 54 HA GLU 54 -8.217 1.672 -8.643 458 1HB GLU 54 3HB GLU 54 -10.167 0.945 -9.821 459 2HB GLU 54 2HB GLU 54 -10.190 2.703 -9.905 460 1HG GLU 54 2HG GLU 54 -9.207 2.635 -12.148 461 2HG GLU 54 1HG GLU 54 -9.098 0.876 -12.068 462 H GLU 55 H GLU 55 -6.992 1.992 -11.922 463 HA GLU 55 HA GLU 55 -6.624 -0.764 -12.486 464 1HB GLU 55 3HB GLU 55 -5.650 1.780 -13.516 465 2HB GLU 55 2HB GLU 55 -4.517 0.452 -13.736 466 1HG GLU 55 2HG GLU 55 -7.058 -0.584 -14.366 467 2HG GLU 55 1HG GLU 55 -6.979 0.995 -15.147 468 H GLN 56 H GLN 56 -5.009 1.327 -10.261 469 HA GLN 56 HA GLN 56 -2.559 -0.275 -10.203 470 1HB GLN 56 3HB GLN 56 -1.732 1.329 -8.803 471 2HB GLN 56 2HB GLN 56 -2.981 2.284 -9.567 472 1HG GLN 56 2HG GLN 56 -4.472 1.831 -7.648 473 2HG GLN 56 1HG GLN 56 -3.217 0.849 -6.899 474 1HE2 GLN 56 1HE2 GLN 56 -2.602 2.158 -5.124 475 2HE2 GLN 56 2HE2 GLN 56 -2.063 3.760 -5.276 476 H ALA 57 H ALA 57 -5.277 0.298 -8.060 477 HA ALA 57 HA ALA 57 -4.583 -1.611 -6.086 478 1HB ALA 57 1HB ALA 57 -7.148 -0.294 -6.920 479 2HB ALA 57 2HB ALA 57 -6.247 -0.113 -5.415 480 3HB ALA 57 3HB ALA 57 -7.175 -1.582 -5.716 481 H ARG 58 H ARG 58 -6.131 -1.958 -9.221 482 HA ARG 58 HA ARG 58 -7.219 -4.593 -8.722 483 1HB ARG 58 3HB ARG 58 -6.577 -3.109 -11.284 484 2HB ARG 58 2HB ARG 58 -7.375 -4.683 -11.237 485 1HG ARG 58 2HG ARG 58 -8.700 -2.959 -9.377 486 2HG ARG 58 1HG ARG 58 -8.558 -2.105 -10.913 487 1HD ARG 58 2HD ARG 58 -10.574 -3.324 -11.116 488 2HD ARG 58 1HD ARG 58 -9.395 -4.297 -11.994 489 HE ARG 58 HE ARG 58 -9.385 -5.871 -10.143 490 1HH1 ARG 58 1HH1 ARG 58 -12.341 -4.806 -10.710 491 2HH1 ARG 58 2HH1 ARG 58 -12.942 -4.832 -9.086 492 1HH2 ARG 58 1HH2 ARG 58 -9.808 -5.232 -7.653 493 2HH2 ARG 58 2HH2 ARG 58 -11.508 -5.075 -7.353 494 H LEU 59 H LEU 59 -4.158 -3.355 -9.946 495 HA LEU 59 HA LEU 59 -3.192 -5.911 -10.874 496 1HB LEU 59 3HB LEU 59 -1.497 -3.562 -10.015 497 2HB LEU 59 2HB LEU 59 -1.112 -4.799 -11.206 498 HG LEU 59 HG LEU 59 -3.575 -3.157 -11.616 499 1HD1 LEU 59 1HD1 LEU 59 -1.602 -1.622 -11.042 500 2HD1 LEU 59 2HD1 LEU 59 -2.357 -1.351 -12.613 501 3HD1 LEU 59 3HD1 LEU 59 -0.832 -2.229 -12.507 502 1HD2 LEU 59 1HD2 LEU 59 -3.485 -4.139 -13.642 503 2HD2 LEU 59 2HD2 LEU 59 -2.161 -5.131 -13.027 504 3HD2 LEU 59 3HD2 LEU 59 -1.814 -3.625 -13.878 505 H SER 60 H SER 60 -3.161 -4.322 -7.737 506 HA SER 60 HA SER 60 -1.134 -6.136 -6.652 507 1HB SER 60 3HB SER 60 -1.201 -4.763 -4.838 508 2HB SER 60 2HB SER 60 -2.215 -3.719 -5.827 509 HG SER 60 HG SER 60 -3.808 -4.187 -4.552 510 H LYS 61 H LYS 61 -4.615 -5.896 -6.818 511 HA LYS 61 HA LYS 61 -5.214 -8.091 -5.059 512 1HB LYS 61 3HB LYS 61 -6.650 -6.117 -6.344 513 2HB LYS 61 2HB LYS 61 -7.131 -7.571 -7.217 514 1HG LYS 61 2HG LYS 61 -8.625 -7.223 -5.305 515 2HG LYS 61 1HG LYS 61 -7.652 -8.673 -5.045 516 1HD LYS 61 2HD LYS 61 -6.609 -7.777 -3.245 517 2HD LYS 61 1HD LYS 61 -6.355 -6.234 -4.063 518 1HE LYS 61 2HE LYS 61 -8.236 -5.312 -3.181 519 2HE LYS 61 1HE LYS 61 -9.165 -6.800 -3.365 520 1HZ LYS 61 1HZ LYS 61 -8.885 -7.162 -1.215 521 2HZ LYS 61 2HZ LYS 61 -7.902 -5.785 -1.063 522 3HZ LYS 61 3HZ LYS 61 -7.210 -7.286 -1.456 523 H GLN 62 H GLN 62 -5.127 -7.824 -8.620 524 HA GLN 62 HA GLN 62 -5.555 -10.675 -8.979 525 1HB GLN 62 3HB GLN 62 -5.236 -10.242 -11.332 526 2HB GLN 62 2HB GLN 62 -6.168 -8.900 -10.664 527 1HG GLN 62 2HG GLN 62 -3.981 -7.657 -10.372 528 2HG GLN 62 1HG GLN 62 -3.206 -8.945 -11.294 529 1HE2 GLN 62 1HE2 GLN 62 -6.284 -7.079 -11.683 530 2HE2 GLN 62 2HE2 GLN 62 -6.006 -6.692 -13.312 531 H HIS 63 H HIS 63 -2.688 -8.551 -9.183 532 HA HIS 63 HA HIS 63 -0.763 -10.299 -10.117 533 1HB HIS 63 3HB HIS 63 -0.225 -8.010 -9.448 534 2HB HIS 63 2HB HIS 63 -0.471 -8.424 -7.756 535 HD1 HIS 63 HD1 HIS 63 1.108 -11.167 -9.550 536 HD2 HIS 63 HD2 HIS 63 2.436 -7.700 -7.652 537 HE1 HIS 63 HE1 HIS 63 3.595 -11.466 -9.169 538 H LEU 64 H LEU 64 -1.384 -9.917 -6.627 539 HA LEU 64 HA LEU 64 0.003 -12.362 -5.994 540 1HB LEU 64 3HB LEU 64 -1.493 -10.303 -4.521 541 2HB LEU 64 2HB LEU 64 -1.602 -11.916 -3.813 542 HG LEU 64 HG LEU 64 0.983 -10.519 -4.568 543 1HD1 LEU 64 1HD1 LEU 64 -0.626 -10.672 -2.063 544 2HD1 LEU 64 2HD1 LEU 64 0.426 -9.382 -2.645 545 3HD1 LEU 64 3HD1 LEU 64 1.124 -10.822 -1.903 546 1HD2 LEU 64 1HD2 LEU 64 0.518 -13.211 -4.391 547 2HD2 LEU 64 2HD2 LEU 64 0.958 -12.834 -2.726 548 3HD2 LEU 64 3HD2 LEU 64 2.072 -12.455 -4.041 549 H GLU 65 H GLU 65 -3.473 -11.594 -6.108 550 HA GLU 65 HA GLU 65 -4.383 -14.168 -5.390 551 1HB GLU 65 3HB GLU 65 -5.618 -12.022 -7.117 552 2HB GLU 65 2HB GLU 65 -6.465 -13.509 -6.700 553 1HG GLU 65 2HG GLU 65 -5.759 -12.873 -4.239 554 2HG GLU 65 1HG GLU 65 -5.625 -11.249 -4.913 555 H LYS 66 H LYS 66 -2.751 -13.145 -8.202 556 HA LYS 66 HA LYS 66 -3.903 -15.231 -9.928 557 1HB LYS 66 3HB LYS 66 -1.889 -13.042 -10.260 558 2HB LYS 66 2HB LYS 66 -1.900 -14.377 -11.411 559 1HG LYS 66 2HG LYS 66 -4.592 -13.416 -10.864 560 2HG LYS 66 1HG LYS 66 -3.556 -12.129 -11.481 561 1HD LYS 66 2HD LYS 66 -3.046 -13.342 -13.460 562 2HD LYS 66 1HD LYS 66 -3.668 -14.850 -12.790 563 1HE LYS 66 2HE LYS 66 -5.223 -13.747 -14.439 564 2HE LYS 66 1HE LYS 66 -5.939 -14.018 -12.850 565 1HZ LYS 66 1HZ LYS 66 -4.568 -11.505 -13.065 566 2HZ LYS 66 2HZ LYS 66 -6.130 -11.843 -12.490 567 3HZ LYS 66 3HZ LYS 66 -5.859 -11.644 -14.155 568 H TYR 67 H TYR 67 -0.628 -14.491 -8.709 569 HA TYR 67 HA TYR 67 -0.172 -17.356 -8.235 570 1HB TYR 67 3HB TYR 67 2.110 -16.863 -9.639 571 2HB TYR 67 2HB TYR 67 0.693 -17.658 -10.322 572 HD1 TYR 67 HD1 TYR 67 1.838 -14.146 -9.592 573 HD2 TYR 67 HD2 TYR 67 -0.063 -16.830 -12.355 574 HE1 TYR 67 HE1 TYR 67 1.571 -12.289 -11.212 575 HE2 TYR 67 HE2 TYR 67 -0.329 -14.972 -13.975 576 HH TYR 67 HH TYR 67 -0.275 -12.698 -14.183 577 HA PRO 68 HA PRO 68 2.042 -14.727 -5.258 578 1HB PRO 68 3HB PRO 68 1.374 -16.291 -3.105 579 2HB PRO 68 2HB PRO 68 0.345 -14.985 -3.717 580 1HG PRO 68 2HG PRO 68 -0.003 -17.934 -3.998 581 2HG PRO 68 1HG PRO 68 -1.227 -16.653 -4.013 582 1HD PRO 68 2HD PRO 68 -0.192 -17.985 -6.288 583 2HD PRO 68 1HD PRO 68 -1.157 -16.493 -6.300 584 H ASP 69 H ASP 69 1.957 -18.036 -4.045 585 HA ASP 69 HA ASP 69 4.874 -18.150 -4.204 586 1HB ASP 69 3HB ASP 69 4.695 -20.099 -2.763 587 2HB ASP 69 2HB ASP 69 3.664 -18.821 -2.119 588 H TYR 70 H TYR 70 3.921 -18.227 -6.753 589 HA TYR 70 HA TYR 70 3.188 -20.769 -7.759 590 1HB TYR 70 3HB TYR 70 3.976 -18.210 -8.844 591 2HB TYR 70 2HB TYR 70 4.746 -19.516 -9.745 592 HD1 TYR 70 HD1 TYR 70 1.455 -19.464 -7.973 593 HD2 TYR 70 HD2 TYR 70 3.500 -19.710 -11.741 594 HE1 TYR 70 HE1 TYR 70 -0.694 -19.954 -9.108 595 HE2 TYR 70 HE2 TYR 70 1.349 -20.202 -12.877 596 HH TYR 70 HH TYR 70 -1.290 -21.263 -11.429
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