NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11764 | 1rzs | 6185 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -5.401 8.848 0.083 2 2H MET 1 2HT MET 1 -4.570 8.425 1.525 3 3H MET 1 3HT MET 1 -5.932 7.513 1.017 4 HA MET 1 HA MET 1 -3.522 7.779 -0.628 5 1HB MET 1 2HB MET 1 -3.716 6.561 1.919 6 2HB MET 1 1HB MET 1 -3.713 5.255 0.741 7 1HG MET 1 2HG MET 1 -1.625 5.913 -0.131 8 2HG MET 1 1HG MET 1 -1.676 7.459 0.714 9 1HE MET 1 1HE MET 1 -0.293 7.923 2.404 10 2HE MET 1 2HE MET 1 0.219 6.912 3.756 11 3HE MET 1 3HE MET 1 -1.448 7.484 3.663 12 H TYR 2 H TYR 2 -4.177 7.239 -2.599 13 HA TYR 2 HA TYR 2 -6.494 5.544 -2.988 14 1HB TYR 2 2HB TYR 2 -4.936 7.432 -4.613 15 2HB TYR 2 1HB TYR 2 -5.495 6.017 -5.497 16 HD1 TYR 2 1HD TYR 2 -6.969 8.255 -2.882 17 HD2 TYR 2 2HD TYR 2 -7.412 6.429 -6.699 18 HE1 TYR 2 1HE TYR 2 -9.190 9.285 -3.109 19 HE2 TYR 2 2HE TYR 2 -9.635 7.456 -6.938 20 HH TYR 2 HH TYR 2 -10.690 9.893 -5.528 21 H LYS 3 H LYS 3 -6.502 3.496 -3.780 22 HA LYS 3 HA LYS 3 -4.277 1.852 -3.375 23 1HB LYS 3 2HB LYS 3 -6.862 1.336 -3.643 24 2HB LYS 3 1HB LYS 3 -6.394 1.024 -5.308 25 1HG LYS 3 2HG LYS 3 -4.573 -0.275 -3.505 26 2HG LYS 3 1HG LYS 3 -6.239 -0.723 -3.134 27 1HD LYS 3 2HD LYS 3 -5.262 -0.748 -5.962 28 2HD LYS 3 1HD LYS 3 -4.907 -2.100 -4.886 29 1HE LYS 3 2HE LYS 3 -7.031 -2.839 -4.910 30 2HE LYS 3 1HE LYS 3 -7.702 -1.211 -4.858 31 1HZ LYS 3 1HZ LYS 3 -8.144 -2.498 -6.943 32 2HZ LYS 3 2HZ LYS 3 -6.495 -2.374 -7.300 33 3HZ LYS 3 3HZ LYS 3 -7.440 -0.976 -7.177 34 H LYS 4 H LYS 4 -5.381 3.576 -6.206 35 HA LYS 4 HA LYS 4 -3.909 2.225 -8.170 36 1HB LYS 4 2HB LYS 4 -5.701 3.876 -8.635 37 2HB LYS 4 1HB LYS 4 -4.628 5.161 -8.096 38 1HG LYS 4 2HG LYS 4 -3.286 3.610 -10.077 39 2HG LYS 4 1HG LYS 4 -4.882 4.060 -10.678 40 1HD LYS 4 2HD LYS 4 -3.491 6.243 -9.323 41 2HD LYS 4 1HD LYS 4 -2.639 5.643 -10.747 42 1HE LYS 4 2HE LYS 4 -4.263 7.517 -11.168 43 2HE LYS 4 1HE LYS 4 -4.500 6.072 -12.151 44 1HZ LYS 4 1HZ LYS 4 -6.525 5.789 -11.316 45 2HZ LYS 4 2HZ LYS 4 -6.395 7.328 -10.632 46 3HZ LYS 4 3HZ LYS 4 -5.993 5.963 -9.719 47 H ASP 5 H ASP 5 -2.993 4.669 -5.848 48 HA ASP 5 HA ASP 5 -0.444 5.210 -7.070 49 1HB ASP 5 2HB ASP 5 -1.400 5.898 -4.282 50 2HB ASP 5 1HB ASP 5 -0.022 6.601 -5.120 51 H VAL 6 H VAL 6 -1.577 3.405 -4.227 52 HA VAL 6 HA VAL 6 0.870 2.607 -3.211 53 HB VAL 6 HB VAL 6 -1.521 0.791 -3.187 54 1HG1 VAL 6 1HG1 VAL 6 -0.734 0.253 -0.975 55 2HG1 VAL 6 2HG1 VAL 6 0.505 1.502 -1.087 56 3HG1 VAL 6 3HG1 VAL 6 0.586 0.086 -2.131 57 1HG2 VAL 6 1HG2 VAL 6 -2.137 2.174 -1.075 58 2HG2 VAL 6 2HG2 VAL 6 -2.634 2.754 -2.664 59 3HG2 VAL 6 3HG2 VAL 6 -1.228 3.460 -1.869 60 H ILE 7 H ILE 7 -1.241 0.889 -5.510 61 HA ILE 7 HA ILE 7 0.399 -1.337 -5.907 62 HB ILE 7 HB ILE 7 -1.594 -0.040 -7.767 63 1HG1 ILE 7 2HG1 ILE 7 -1.760 -2.449 -5.943 64 2HG1 ILE 7 1HG1 ILE 7 -2.550 -0.896 -5.689 65 1HG2 ILE 7 1HG2 ILE 7 -1.590 -2.182 -8.995 66 2HG2 ILE 7 2HG2 ILE 7 -0.215 -2.708 -8.022 67 3HG2 ILE 7 3HG2 ILE 7 -0.051 -1.325 -9.105 68 1HD1 ILE 7 1HD1 ILE 7 -3.096 -2.600 -8.096 69 2HD1 ILE 7 2HD1 ILE 7 -4.043 -1.252 -7.466 70 3HD1 ILE 7 3HD1 ILE 7 -3.981 -2.776 -6.581 71 H ASP 8 H ASP 8 0.560 1.880 -7.237 72 HA ASP 8 HA ASP 8 2.368 1.213 -9.357 73 1HB ASP 8 2HB ASP 8 0.808 3.442 -8.668 74 2HB ASP 8 1HB ASP 8 2.476 3.996 -8.561 75 H HIS 9 H HIS 9 2.622 2.049 -6.010 76 HA HIS 9 HA HIS 9 5.432 2.693 -6.163 77 1HB HIS 9 2HB HIS 9 4.171 3.905 -4.527 78 2HB HIS 9 1HB HIS 9 3.504 2.422 -3.856 79 HD1 HIS 9 1HD HIS 9 6.194 4.812 -3.401 80 HD2 HIS 9 2HD HIS 9 5.555 0.807 -2.496 81 HE1 HIS 9 1HE HIS 9 7.908 4.236 -1.655 82 HE2 HIS 9 2HE HIS 9 7.577 1.778 -1.209 83 H PHE 10 H PHE 10 3.403 -0.029 -5.389 84 HA PHE 10 HA PHE 10 5.670 -1.597 -4.428 85 1HB PHE 10 2HB PHE 10 2.698 -1.978 -4.434 86 2HB PHE 10 1HB PHE 10 3.765 -3.358 -4.200 87 HD1 PHE 10 1HD PHE 10 2.441 -0.305 -2.748 88 HD2 PHE 10 2HD PHE 10 5.198 -3.498 -2.241 89 HE1 PHE 10 1HE PHE 10 2.658 0.272 -0.365 90 HE2 PHE 10 2HE PHE 10 5.422 -2.935 0.147 91 HZ PHE 10 HZ PHE 10 4.150 -1.046 1.087 92 H GLY 11 H GLY 11 3.570 -1.280 -7.201 93 1HA GLY 11 2HA GLY 11 4.054 -2.031 -9.366 94 2HA GLY 11 1HA GLY 11 5.308 -3.069 -8.701 95 H THR 12 H THR 12 4.077 -4.630 -6.932 96 HA THR 12 HA THR 12 1.871 -5.901 -8.412 97 HB THR 12 HB THR 12 2.816 -8.094 -7.521 98 HG1 THR 12 1HG THR 12 5.074 -6.429 -7.104 99 1HG2 THR 12 1HG2 THR 12 3.329 -6.831 -9.870 100 2HG2 THR 12 2HG2 THR 12 3.835 -8.472 -9.466 101 3HG2 THR 12 3HG2 THR 12 4.955 -7.126 -9.255 102 H GLN 13 H GLN 13 0.133 -6.506 -7.231 103 HA GLN 13 HA GLN 13 -0.419 -5.409 -4.772 104 1HB GLN 13 2HB GLN 13 -2.245 -7.120 -4.608 105 2HB GLN 13 1HB GLN 13 -2.206 -6.232 -6.123 106 1HG GLN 13 2HG GLN 13 -0.973 -8.157 -7.127 107 2HG GLN 13 1HG GLN 13 -1.266 -9.043 -5.632 108 1HE2 GLN 13 1HE2 GLN 13 -3.626 -9.046 -4.951 109 2HE2 GLN 13 2HE2 GLN 13 -4.782 -9.342 -6.200 110 H ARG 14 H ARG 14 0.688 -8.728 -5.425 111 HA ARG 14 HA ARG 14 0.662 -9.791 -2.902 112 1HB ARG 14 2HB ARG 14 2.304 -10.227 -5.326 113 2HB ARG 14 1HB ARG 14 2.957 -10.871 -3.827 114 1HG ARG 14 2HG ARG 14 0.839 -12.088 -3.465 115 2HG ARG 14 1HG ARG 14 0.271 -11.501 -5.030 116 1HD ARG 14 2HD ARG 14 1.155 -13.401 -5.830 117 2HD ARG 14 1HD ARG 14 2.694 -12.552 -5.689 118 HE ARG 14 HE ARG 14 1.911 -13.929 -3.292 119 1HH1 ARG 14 1HH1 ARG 14 3.531 -14.236 -6.367 120 2HH1 ARG 14 2HH1 ARG 14 4.497 -15.583 -5.865 121 1HH2 ARG 14 1HH2 ARG 14 3.180 -15.700 -2.630 122 2HH2 ARG 14 2HH2 ARG 14 4.298 -16.415 -3.743 123 H ALA 15 H ALA 15 2.907 -7.455 -4.221 124 HA ALA 15 HA ALA 15 4.902 -7.655 -2.233 125 1HB ALA 15 1HB ALA 15 4.658 -6.295 -4.580 126 2HB ALA 15 2HB ALA 15 5.939 -6.041 -3.394 127 3HB ALA 15 3HB ALA 15 4.520 -4.994 -3.397 128 H VAL 16 H VAL 16 2.173 -5.395 -2.589 129 HA VAL 16 HA VAL 16 2.581 -3.898 -0.294 130 HB VAL 16 HB VAL 16 -0.238 -4.513 -1.000 131 1HG1 VAL 16 1HG1 VAL 16 -0.089 -2.780 0.492 132 2HG1 VAL 16 2HG1 VAL 16 -0.123 -1.905 -1.038 133 3HG1 VAL 16 3HG1 VAL 16 1.409 -2.170 -0.208 134 1HG2 VAL 16 1HG2 VAL 16 1.741 -3.334 -2.920 135 2HG2 VAL 16 2HG2 VAL 16 0.048 -2.840 -2.949 136 3HG2 VAL 16 3HG2 VAL 16 0.479 -4.529 -3.217 137 H ALA 17 H ALA 17 0.691 -6.871 -0.719 138 HA ALA 17 HA ALA 17 -0.307 -7.057 1.889 139 1HB ALA 17 1HB ALA 17 0.348 -9.599 0.556 140 2HB ALA 17 2HB ALA 17 -0.662 -8.488 -0.367 141 3HB ALA 17 3HB ALA 17 -1.178 -9.028 1.230 142 H LYS 18 H LYS 18 2.786 -7.979 0.525 143 HA LYS 18 HA LYS 18 3.645 -9.485 2.802 144 1HB LYS 18 2HB LYS 18 4.508 -9.281 0.220 145 2HB LYS 18 1HB LYS 18 5.723 -8.331 1.064 146 1HG LYS 18 2HG LYS 18 5.062 -10.941 2.263 147 2HG LYS 18 1HG LYS 18 5.888 -10.982 0.704 148 1HD LYS 18 2HD LYS 18 7.679 -9.606 1.579 149 2HD LYS 18 1HD LYS 18 6.831 -9.433 3.117 150 1HE LYS 18 2HE LYS 18 8.551 -11.094 3.362 151 2HE LYS 18 1HE LYS 18 6.977 -11.888 3.421 152 1HZ LYS 18 1HZ LYS 18 7.307 -12.363 0.991 153 2HZ LYS 18 2HZ LYS 18 8.340 -13.196 2.039 154 3HZ LYS 18 3HZ LYS 18 8.912 -11.859 1.176 155 H ALA 19 H ALA 19 3.797 -6.143 1.819 156 HA ALA 19 HA ALA 19 5.821 -5.329 3.644 157 1HB ALA 19 1HB ALA 19 3.911 -3.999 1.833 158 2HB ALA 19 2HB ALA 19 5.636 -3.722 2.069 159 3HB ALA 19 3HB ALA 19 4.471 -3.045 3.207 160 H LEU 20 H LEU 20 2.268 -5.114 3.725 161 HA LEU 20 HA LEU 20 2.269 -4.104 6.423 162 1HB LEU 20 2HB LEU 20 -0.085 -5.180 4.880 163 2HB LEU 20 1HB LEU 20 -0.114 -4.076 6.243 164 HG LEU 20 HG LEU 20 1.225 -3.285 3.678 165 1HD1 LEU 20 1HD1 LEU 20 -0.741 -2.554 2.710 166 2HD1 LEU 20 2HD1 LEU 20 -1.634 -2.615 4.229 167 3HD1 LEU 20 3HD1 LEU 20 -1.212 -4.110 3.393 168 1HD2 LEU 20 1HD2 LEU 20 1.278 -1.212 4.563 169 2HD2 LEU 20 2HD2 LEU 20 1.152 -2.083 6.091 170 3HD2 LEU 20 3HD2 LEU 20 -0.290 -1.390 5.350 171 H GLY 21 H GLY 21 1.820 -7.195 4.836 172 1HA GLY 21 2HA GLY 21 2.393 -9.213 6.029 173 2HA GLY 21 1HA GLY 21 1.781 -8.463 7.495 174 H ILE 22 H ILE 22 0.048 -8.224 4.482 175 HA ILE 22 HA ILE 22 -1.989 -10.054 5.572 176 HB ILE 22 HB ILE 22 -3.646 -8.771 4.242 177 1HG1 ILE 22 2HG1 ILE 22 -1.342 -6.850 3.829 178 2HG1 ILE 22 1HG1 ILE 22 -2.078 -7.846 2.577 179 1HG2 ILE 22 1HG2 ILE 22 -3.175 -6.554 5.700 180 2HG2 ILE 22 2HG2 ILE 22 -2.122 -7.703 6.526 181 3HG2 ILE 22 3HG2 ILE 22 -3.845 -8.042 6.368 182 1HD1 ILE 22 1HD1 ILE 22 -4.230 -6.511 3.599 183 2HD1 ILE 22 2HD1 ILE 22 -3.325 -6.051 2.157 184 3HD1 ILE 22 3HD1 ILE 22 -2.946 -5.308 3.711 185 H SER 23 H SER 23 -3.559 -10.655 3.594 186 HA SER 23 HA SER 23 -1.858 -12.126 1.755 187 1HB SER 23 2HB SER 23 -4.861 -12.196 2.144 188 2HB SER 23 1HB SER 23 -3.937 -13.291 1.116 189 HG SER 23 HG SER 23 -2.744 -13.783 3.140 190 H ASP 24 H ASP 24 -2.466 -12.251 -0.561 191 HA ASP 24 HA ASP 24 -2.442 -9.699 -1.743 192 1HB ASP 24 2HB ASP 24 -2.687 -10.913 -3.885 193 2HB ASP 24 1HB ASP 24 -1.450 -11.624 -2.853 194 H ALA 25 H ALA 25 -5.033 -11.935 -1.023 195 HA ALA 25 HA ALA 25 -7.040 -10.870 -2.656 196 1HB ALA 25 1HB ALA 25 -8.619 -11.924 -1.100 197 2HB ALA 25 2HB ALA 25 -7.303 -12.189 0.045 198 3HB ALA 25 3HB ALA 25 -7.289 -13.004 -1.520 199 H ALA 26 H ALA 26 -6.051 -10.013 0.638 200 HA ALA 26 HA ALA 26 -8.061 -8.155 1.191 201 1HB ALA 26 1HB ALA 26 -5.363 -8.726 2.250 202 2HB ALA 26 2HB ALA 26 -6.909 -8.585 3.089 203 3HB ALA 26 3HB ALA 26 -6.031 -7.133 2.607 204 H VAL 27 H VAL 27 -4.982 -7.786 -0.490 205 HA VAL 27 HA VAL 27 -5.000 -4.976 -0.681 206 HB VAL 27 HB VAL 27 -3.769 -6.897 -2.660 207 1HG1 VAL 27 1HG1 VAL 27 -2.147 -5.047 -2.982 208 2HG1 VAL 27 2HG1 VAL 27 -3.149 -4.035 -1.941 209 3HG1 VAL 27 3HG1 VAL 27 -3.790 -4.632 -3.471 210 1HG2 VAL 27 1HG2 VAL 27 -1.707 -6.619 -1.263 211 2HG2 VAL 27 2HG2 VAL 27 -2.997 -7.545 -0.497 212 3HG2 VAL 27 3HG2 VAL 27 -2.720 -5.868 -0.030 213 H SER 28 H SER 28 -6.000 -7.457 -3.037 214 HA SER 28 HA SER 28 -6.938 -5.648 -4.978 215 1HB SER 28 2HB SER 28 -8.410 -7.831 -5.529 216 2HB SER 28 1HB SER 28 -6.697 -7.709 -5.935 217 HG SER 28 HG SER 28 -7.571 -9.627 -4.664 218 H GLN 29 H GLN 29 -8.447 -7.087 -2.164 219 HA GLN 29 HA GLN 29 -11.120 -6.457 -2.780 220 1HB GLN 29 2HB GLN 29 -9.880 -7.832 -0.781 221 2HB GLN 29 1HB GLN 29 -10.380 -6.376 0.069 222 1HG GLN 29 2HG GLN 29 -12.350 -7.342 0.335 223 2HG GLN 29 1HG GLN 29 -12.610 -7.096 -1.392 224 1HE2 GLN 29 1HE2 GLN 29 -13.110 -9.282 0.795 225 2HE2 GLN 29 2HE2 GLN 29 -12.750 -10.740 -0.055 226 H TRP 30 H TRP 30 -8.488 -4.501 -1.740 227 HA TRP 30 HA TRP 30 -9.734 -2.458 -0.346 228 1HB TRP 30 2HB TRP 30 -7.396 -2.395 -2.253 229 2HB TRP 30 1HB TRP 30 -7.901 -0.991 -1.319 230 HD1 TRP 30 HD TRP 30 -8.547 -3.380 1.148 231 HE1 TRP 30 1HE TRP 30 -6.521 -3.886 2.654 232 HE3 TRP 30 3HE TRP 30 -4.836 -1.486 -1.815 233 HZ2 TRP 30 2HZ TRP 30 -3.720 -3.531 2.593 234 HZ3 TRP 30 3HZ TRP 30 -2.512 -1.607 -1.019 235 HH2 TRP 30 HH TRP 30 -1.967 -2.609 1.140 236 H LYS 31 H LYS 31 -10.130 -0.209 -1.148 237 HA LYS 31 HA LYS 31 -11.480 -0.260 -3.766 238 1HB LYS 31 2HB LYS 31 -12.350 1.454 -1.445 239 2HB LYS 31 1HB LYS 31 -13.240 1.072 -2.910 240 1HG LYS 31 2HG LYS 31 -13.730 -1.098 -2.188 241 2HG LYS 31 1HG LYS 31 -12.480 -1.053 -0.939 242 1HD LYS 31 2HD LYS 31 -14.070 1.055 -0.231 243 2HD LYS 31 1HD LYS 31 -15.250 -0.087 -0.880 244 1HE LYS 31 2HE LYS 31 -13.350 -1.440 0.810 245 2HE LYS 31 1HE LYS 31 -14.090 -0.091 1.669 246 1HZ LYS 31 1HZ LYS 31 -15.360 -2.127 1.944 247 2HZ LYS 31 2HZ LYS 31 -15.560 -2.260 0.270 248 3HZ LYS 31 3HZ LYS 31 -16.270 -0.969 1.106 249 H GLU 32 H GLU 32 -12.150 2.463 -3.846 250 HA GLU 32 HA GLU 32 -9.961 3.621 -5.034 251 1HB GLU 32 2HB GLU 32 -12.560 4.532 -4.084 252 2HB GLU 32 1HB GLU 32 -11.340 5.796 -3.994 253 1HG GLU 32 2HG GLU 32 -10.790 5.268 -6.397 254 2HG GLU 32 1HG GLU 32 -12.240 4.268 -6.416 255 H VAL 33 H VAL 33 -10.730 3.443 -1.649 256 HA VAL 33 HA VAL 33 -8.213 4.841 -1.045 257 HB VAL 33 HB VAL 33 -10.690 5.025 0.665 258 1HG1 VAL 33 1HG1 VAL 33 -8.128 5.355 1.422 259 2HG1 VAL 33 2HG1 VAL 33 -9.484 6.221 2.144 260 3HG1 VAL 33 3HG1 VAL 33 -8.513 6.991 0.887 261 1HG2 VAL 33 1HG2 VAL 33 -11.280 6.257 -1.229 262 2HG2 VAL 33 2HG2 VAL 33 -9.639 6.852 -1.466 263 3HG2 VAL 33 3HG2 VAL 33 -10.610 7.466 -0.132 264 H ILE 34 H ILE 34 -6.845 3.456 -0.146 265 HA ILE 34 HA ILE 34 -7.475 0.901 0.759 266 HB ILE 34 HB ILE 34 -5.227 1.043 1.978 267 1HG1 ILE 34 2HG1 ILE 34 -4.953 3.602 0.400 268 2HG1 ILE 34 1HG1 ILE 34 -5.364 3.588 2.112 269 1HG2 ILE 34 1HG2 ILE 34 -4.079 0.584 0.014 270 2HG2 ILE 34 2HG2 ILE 34 -5.006 1.758 -0.920 271 3HG2 ILE 34 3HG2 ILE 34 -5.755 0.243 -0.413 272 1HD1 ILE 34 1HD1 ILE 34 -3.067 3.919 2.078 273 2HD1 ILE 34 2HD1 ILE 34 -2.820 2.747 0.784 274 3HD1 ILE 34 3HD1 ILE 34 -3.236 2.195 2.406 275 HA PRO 35 HA PRO 35 -9.148 1.065 4.818 276 1HB PRO 35 2HB PRO 35 -6.845 -0.632 5.669 277 2HB PRO 35 1HB PRO 35 -8.576 -0.876 5.922 278 1HG PRO 35 2HG PRO 35 -7.276 -2.281 4.079 279 2HG PRO 35 1HG PRO 35 -8.913 -1.677 3.769 280 1HD PRO 35 2HD PRO 35 -6.298 -0.677 2.744 281 2HD PRO 35 1HD PRO 35 -7.879 -0.728 1.942 282 H GLU 36 H GLU 36 -8.776 1.875 6.951 283 HA GLU 36 HA GLU 36 -6.963 4.048 7.047 284 1HB GLU 36 2HB GLU 36 -9.102 4.091 8.227 285 2HB GLU 36 1HB GLU 36 -8.582 2.761 9.251 286 1HG GLU 36 2HG GLU 36 -6.591 4.558 9.667 287 2HG GLU 36 1HG GLU 36 -7.976 5.619 9.415 288 H LYS 37 H LYS 37 -6.882 0.780 8.339 289 HA LYS 37 HA LYS 37 -4.488 1.277 9.878 290 1HB LYS 37 2HB LYS 37 -6.438 -0.885 9.606 291 2HB LYS 37 1HB LYS 37 -4.785 -1.466 9.748 292 1HG LYS 37 2HG LYS 37 -5.867 0.566 11.659 293 2HG LYS 37 1HG LYS 37 -6.177 -1.157 11.884 294 1HD LYS 37 2HD LYS 37 -3.394 -0.118 11.462 295 2HD LYS 37 1HD LYS 37 -4.138 -0.117 13.063 296 1HE LYS 37 2HE LYS 37 -3.079 -2.151 13.090 297 2HE LYS 37 1HE LYS 37 -4.664 -2.617 12.477 298 1HZ LYS 37 1HZ LYS 37 -3.839 -3.098 10.452 299 2HZ LYS 37 2HZ LYS 37 -2.390 -3.301 11.301 300 3HZ LYS 37 3HZ LYS 37 -2.693 -1.853 10.481 301 H ASP 38 H ASP 38 -5.277 0.199 6.690 302 HA ASP 38 HA ASP 38 -2.744 -1.093 6.222 303 1HB ASP 38 2HB ASP 38 -4.893 -0.224 4.273 304 2HB ASP 38 1HB ASP 38 -3.509 -1.239 3.880 305 H ALA 39 H ALA 39 -4.249 2.005 5.429 306 HA ALA 39 HA ALA 39 -2.141 3.018 3.850 307 1HB ALA 39 1HB ALA 39 -4.276 4.065 3.712 308 2HB ALA 39 2HB ALA 39 -3.159 5.251 4.386 309 3HB ALA 39 3HB ALA 39 -4.291 4.405 5.442 310 H TYR 40 H TYR 40 -2.608 2.754 7.284 311 HA TYR 40 HA TYR 40 -0.751 4.719 8.112 312 1HB TYR 40 2HB TYR 40 -2.440 3.791 9.624 313 2HB TYR 40 1HB TYR 40 -1.668 2.206 9.527 314 HD1 TYR 40 1HD TYR 40 0.066 1.638 10.995 315 HD2 TYR 40 2HD TYR 40 -1.099 5.712 10.623 316 HE1 TYR 40 1HE TYR 40 1.501 2.218 12.908 317 HE2 TYR 40 2HE TYR 40 0.332 6.303 12.532 318 HH TYR 40 HH TYR 40 1.362 5.282 14.447 319 H ARG 41 H ARG 41 -0.360 1.185 8.372 320 HA ARG 41 HA ARG 41 2.393 1.210 8.765 321 1HB ARG 41 2HB ARG 41 0.520 -0.881 7.685 322 2HB ARG 41 1HB ARG 41 2.244 -1.189 7.833 323 1HG ARG 41 2HG ARG 41 1.885 -1.811 9.926 324 2HG ARG 41 1HG ARG 41 1.473 -0.137 10.302 325 1HD ARG 41 2HD ARG 41 -0.854 -0.966 9.234 326 2HD ARG 41 1HD ARG 41 -0.273 -2.486 9.911 327 HE ARG 41 HE ARG 41 -1.223 -0.194 11.357 328 1HH1 ARG 41 1HH1 ARG 41 0.812 -3.025 11.520 329 2HH1 ARG 41 2HH1 ARG 41 0.724 -3.143 13.246 330 1HH2 ARG 41 1HH2 ARG 41 -1.340 -0.349 13.627 331 2HH2 ARG 41 2HH2 ARG 41 -0.499 -1.624 14.442 332 H LEU 42 H LEU 42 0.547 1.443 5.822 333 HA LEU 42 HA LEU 42 2.485 0.701 3.956 334 1HB LEU 42 2HB LEU 42 0.028 2.356 3.918 335 2HB LEU 42 1HB LEU 42 1.147 2.583 2.586 336 HG LEU 42 HG LEU 42 -0.010 -0.087 3.387 337 1HD1 LEU 42 1HD1 LEU 42 -1.062 2.084 1.717 338 2HD1 LEU 42 2HD1 LEU 42 -1.896 0.741 2.499 339 3HD1 LEU 42 3HD1 LEU 42 -1.073 0.490 0.960 340 1HD2 LEU 42 1HD2 LEU 42 1.988 0.809 1.427 341 2HD2 LEU 42 2HD2 LEU 42 0.760 -0.294 0.801 342 3HD2 LEU 42 3HD2 LEU 42 1.758 -0.770 2.176 343 H GLU 43 H GLU 43 2.015 3.698 5.710 344 HA GLU 43 HA GLU 43 3.772 5.289 4.153 345 1HB GLU 43 2HB GLU 43 2.081 6.272 5.625 346 2HB GLU 43 1HB GLU 43 2.900 5.606 7.030 347 1HG GLU 43 2HG GLU 43 4.902 6.972 6.391 348 2HG GLU 43 1HG GLU 43 3.891 7.753 5.178 349 H ILE 44 H ILE 44 4.309 2.882 6.554 350 HA ILE 44 HA ILE 44 6.978 3.821 7.201 351 HB ILE 44 HB ILE 44 5.692 1.223 8.020 352 1HG1 ILE 44 2HG1 ILE 44 5.388 4.007 9.044 353 2HG1 ILE 44 1HG1 ILE 44 4.211 2.701 8.981 354 1HG2 ILE 44 1HG2 ILE 44 7.791 2.700 9.551 355 2HG2 ILE 44 2HG2 ILE 44 8.250 1.695 8.177 356 3HG2 ILE 44 3HG2 ILE 44 7.406 0.979 9.549 357 1HD1 ILE 44 1HD1 ILE 44 6.477 2.962 10.940 358 2HD1 ILE 44 2HD1 ILE 44 5.327 1.625 10.874 359 3HD1 ILE 44 3HD1 ILE 44 4.767 3.251 11.265 360 H VAL 45 H VAL 45 5.521 0.960 5.664 361 HA VAL 45 HA VAL 45 7.894 -0.334 4.962 362 HB VAL 45 HB VAL 45 6.469 -1.327 3.062 363 1HG1 VAL 45 1HG1 VAL 45 4.910 -2.332 5.048 364 2HG1 VAL 45 2HG1 VAL 45 6.252 -1.650 5.968 365 3HG1 VAL 45 3HG1 VAL 45 6.563 -2.846 4.712 366 1HG2 VAL 45 1HG2 VAL 45 4.870 0.635 3.100 367 2HG2 VAL 45 2HG2 VAL 45 4.216 -0.046 4.590 368 3HG2 VAL 45 3HG2 VAL 45 4.134 -0.968 3.089 369 H THR 46 H THR 46 6.073 2.174 3.298 370 HA THR 46 HA THR 46 7.700 2.083 0.939 371 HB THR 46 HB THR 46 6.395 4.071 0.281 372 HG1 THR 46 1HG THR 46 5.049 3.778 2.748 373 1HG2 THR 46 1HG2 THR 46 4.237 3.074 0.113 374 2HG2 THR 46 2HG2 THR 46 4.588 1.979 1.450 375 3HG2 THR 46 3HG2 THR 46 5.450 1.809 -0.078 376 H ALA 47 H ALA 47 8.520 3.037 3.916 377 HA ALA 47 HA ALA 47 10.200 4.326 4.747 378 1HB ALA 47 1HB ALA 47 11.370 3.572 2.653 379 2HB ALA 47 2HB ALA 47 11.927 5.108 3.315 380 3HB ALA 47 3HB ALA 47 10.860 5.087 1.910 381 H GLY 48 H GLY 48 7.540 5.367 4.389 382 1HA GLY 48 2HA GLY 48 6.528 7.382 4.894 383 2HA GLY 48 1HA GLY 48 8.111 8.140 4.859 384 H ALA 49 H ALA 49 6.995 6.290 2.135 385 HA ALA 49 HA ALA 49 7.410 8.365 0.301 386 1HB ALA 49 1HB ALA 49 5.686 5.911 -0.028 387 2HB ALA 49 2HB ALA 49 7.424 5.995 -0.320 388 3HB ALA 49 3HB ALA 49 6.314 6.922 -1.329 389 H LEU 50 H LEU 50 4.280 6.929 1.244 390 HA LEU 50 HA LEU 50 2.939 9.378 0.378 391 1HB LEU 50 2HB LEU 50 1.621 6.857 1.362 392 2HB LEU 50 1HB LEU 50 0.916 8.136 0.392 393 HG LEU 50 HG LEU 50 3.218 6.694 -0.794 394 1HD1 LEU 50 1HD1 LEU 50 1.468 4.987 -1.643 395 2HD1 LEU 50 2HD1 LEU 50 0.581 5.425 -0.183 396 3HD1 LEU 50 3HD1 LEU 50 2.205 4.747 -0.059 397 1HD2 LEU 50 1HD2 LEU 50 0.616 7.849 -1.758 398 2HD2 LEU 50 2HD2 LEU 50 1.663 6.871 -2.788 399 3HD2 LEU 50 3HD2 LEU 50 2.256 8.390 -2.116 400 H LYS 51 H LYS 51 2.330 10.882 1.786 401 HA LYS 51 HA LYS 51 2.659 10.442 4.613 402 1HB LYS 51 2HB LYS 51 2.122 12.801 4.850 403 2HB LYS 51 1HB LYS 51 3.300 12.576 3.564 404 1HG LYS 51 2HG LYS 51 1.422 12.701 1.925 405 2HG LYS 51 1HG LYS 51 0.359 13.133 3.267 406 1HD LYS 51 2HD LYS 51 2.419 14.884 3.612 407 2HD LYS 51 1HD LYS 51 2.371 14.737 1.855 408 1HE LYS 51 2HE LYS 51 0.641 16.127 1.805 409 2HE LYS 51 1HE LYS 51 -0.300 14.967 2.740 410 1HZ LYS 51 1HZ LYS 51 1.560 16.636 4.233 411 2HZ LYS 51 2HZ LYS 51 0.002 16.121 4.640 412 3HZ LYS 51 3HZ LYS 51 0.211 17.421 3.579 413 H TYR 52 H TYR 52 1.153 9.638 5.899 414 HA TYR 52 HA TYR 52 -1.510 9.163 5.052 415 1HB TYR 52 2HB TYR 52 -0.145 7.848 6.774 416 2HB TYR 52 1HB TYR 52 -0.570 9.117 7.917 417 HD1 TYR 52 1HD TYR 52 -1.463 5.966 6.766 418 HD2 TYR 52 2HD TYR 52 -3.212 9.669 7.918 419 HE1 TYR 52 1HE TYR 52 -3.581 4.813 7.244 420 HE2 TYR 52 2HE TYR 52 -5.332 8.525 8.399 421 HH TYR 52 HH TYR 52 -6.283 5.879 7.311 422 H GLN 53 H GLN 53 -3.339 10.291 5.340 423 HA GLN 53 HA GLN 53 -3.288 12.641 7.102 424 1HB GLN 53 2HB GLN 53 -4.738 13.767 5.292 425 2HB GLN 53 1HB GLN 53 -3.002 13.681 5.027 426 1HG GLN 53 2HG GLN 53 -3.216 12.377 3.226 427 2HG GLN 53 1HG GLN 53 -4.484 11.398 3.962 428 1HE2 GLN 53 1HE2 GLN 53 -4.410 14.880 3.403 429 2HE2 GLN 53 2HE2 GLN 53 -5.775 14.922 2.346 430 H GLU 54 H GLU 54 -5.199 13.087 8.155 431 HA GLU 54 HA GLU 54 -7.133 10.927 8.186 432 1HB GLU 54 2HB GLU 54 -6.453 13.216 9.950 433 2HB GLU 54 1HB GLU 54 -8.115 12.646 9.998 434 1HG GLU 54 2HG GLU 54 -6.764 10.307 10.175 435 2HG GLU 54 1HG GLU 54 -5.659 11.403 11.003 436 H ASN 55 H ASN 55 -7.264 12.214 5.763 437 HA ASN 55 HA ASN 55 -9.466 14.106 5.876 438 1HB ASN 55 2HB ASN 55 -7.527 13.226 3.802 439 2HB ASN 55 1HB ASN 55 -9.099 13.785 3.243 440 1HD2 ASN 55 1HD2 ASN 55 -9.022 15.813 2.637 441 2HD2 ASN 55 2HD2 ASN 55 -8.126 17.077 3.402 442 H ALA 56 H ALA 56 -8.811 11.121 4.036 443 HA ALA 56 HA ALA 56 -11.650 10.685 3.664 444 1HB ALA 56 1HB ALA 56 -10.440 10.152 1.751 445 2HB ALA 56 2HB ALA 56 -10.750 8.577 2.480 446 3HB ALA 56 3HB ALA 56 -9.172 9.337 2.660 447 H TYR 57 H TYR 57 -9.460 9.968 6.085 448 HA TYR 57 HA TYR 57 -10.870 7.504 6.845 449 1HB TYR 57 2HB TYR 57 -8.326 8.541 8.085 450 2HB TYR 57 1HB TYR 57 -8.991 6.913 8.168 451 HD1 TYR 57 1HD TYR 57 -9.400 5.902 5.657 452 HD2 TYR 57 2HD TYR 57 -6.458 8.769 6.769 453 HE1 TYR 57 1HE TYR 57 -8.037 5.245 3.720 454 HE2 TYR 57 2HE TYR 57 -5.087 8.119 4.833 455 HH TYR 57 HH TYR 57 -6.285 6.053 2.337 456 H ARG 58 H ARG 58 -11.970 10.182 7.178 457 HA ARG 58 HA ARG 58 -12.250 10.163 10.109 458 1HB ARG 58 2HB ARG 58 -10.900 12.125 9.009 459 2HB ARG 58 1HB ARG 58 -12.500 12.718 8.562 460 1HG ARG 58 2HG ARG 58 -11.630 12.086 11.375 461 2HG ARG 58 1HG ARG 58 -11.640 13.697 10.655 462 1HD ARG 58 2HD ARG 58 -14.080 13.389 10.216 463 2HD ARG 58 1HD ARG 58 -14.000 11.906 11.164 464 HE ARG 58 HE ARG 58 -13.990 14.606 12.157 465 1HH1 ARG 58 1HH1 ARG 58 -13.110 11.299 12.843 466 2HH1 ARG 58 2HH1 ARG 58 -13.120 11.521 14.560 467 1HH2 ARG 58 1HH2 ARG 58 -14.010 14.899 14.415 468 2HH2 ARG 58 2HH2 ARG 58 -13.630 13.564 15.454 469 H GLN 59 H GLN 59 -14.190 9.167 10.252 470 HA GLN 59 HA GLN 59 -16.470 10.569 9.038 471 1HB GLN 59 2HB GLN 59 -15.800 7.656 8.857 472 2HB GLN 59 1HB GLN 59 -17.490 8.157 8.883 473 1HG GLN 59 2HG GLN 59 -16.620 9.805 6.991 474 2HG GLN 59 1HG GLN 59 -15.430 8.520 6.792 475 1HE2 GLN 59 1HE2 GLN 59 -16.030 6.617 5.883 476 2HE2 GLN 59 2HE2 GLN 59 -17.600 6.304 5.250 477 H ALA 60 H ALA 60 -16.670 11.521 11.148 478 HA ALA 60 HA ALA 60 -18.340 9.924 12.889 479 1HB ALA 60 1HB ALA 60 -17.050 9.951 14.806 480 2HB ALA 60 2HB ALA 60 -16.020 11.259 14.221 481 3HB ALA 60 3HB ALA 60 -15.850 9.637 13.553 482 H ALA 61 H ALA 61 -19.520 11.767 11.657 483 HA ALA 61 HA ALA 61 -19.740 14.014 13.530 484 1HB ALA 61 1HB ALA 61 -19.490 14.254 10.538 485 2HB ALA 61 2HB ALA 61 -18.420 14.927 11.766 486 3HB ALA 61 3HB ALA 61 -20.060 15.556 11.583 Start of MODEL 2 1 1H MET 1 1HT MET 1 -6.222 7.554 1.055 2 2H MET 1 2HT MET 1 -5.875 8.862 -0.001 3 3H MET 1 3HT MET 1 -4.897 8.589 1.383 4 HA MET 1 HA MET 1 -3.971 7.884 -0.797 5 1HB MET 1 2HB MET 1 -3.581 7.030 1.710 6 2HB MET 1 1HB MET 1 -4.167 5.528 1.010 7 1HG MET 1 2HG MET 1 -2.371 5.364 -0.455 8 2HG MET 1 1HG MET 1 -1.961 7.071 -0.293 9 1HE MET 1 1HE MET 1 -0.347 8.027 1.729 10 2HE MET 1 2HE MET 1 -0.455 7.223 3.296 11 3HE MET 1 3HE MET 1 -1.919 7.796 2.497 12 H TYR 2 H TYR 2 -4.612 7.117 -2.685 13 HA TYR 2 HA TYR 2 -6.877 5.295 -2.836 14 1HB TYR 2 2HB TYR 2 -5.350 6.884 -4.893 15 2HB TYR 2 1HB TYR 2 -6.552 5.680 -5.345 16 HD1 TYR 2 1HD TYR 2 -8.903 6.106 -5.053 17 HD2 TYR 2 2HD TYR 2 -6.021 8.941 -3.731 18 HE1 TYR 2 1HE TYR 2 -10.680 7.778 -4.779 19 HE2 TYR 2 2HE TYR 2 -7.794 10.623 -3.456 20 HH TYR 2 HH TYR 2 -10.380 10.792 -4.735 21 H LYS 3 H LYS 3 -6.815 3.264 -3.791 22 HA LYS 3 HA LYS 3 -4.597 1.669 -3.313 23 1HB LYS 3 2HB LYS 3 -6.928 0.853 -3.634 24 2HB LYS 3 1HB LYS 3 -6.762 1.153 -5.358 25 1HG LYS 3 2HG LYS 3 -5.024 -0.503 -5.528 26 2HG LYS 3 1HG LYS 3 -5.032 -0.739 -3.779 27 1HD LYS 3 2HD LYS 3 -6.404 -2.459 -4.297 28 2HD LYS 3 1HD LYS 3 -7.629 -1.189 -4.321 29 1HE LYS 3 2HE LYS 3 -6.072 -1.947 -6.774 30 2HE LYS 3 1HE LYS 3 -7.549 -2.792 -6.309 31 1HZ LYS 3 1HZ LYS 3 -7.228 0.042 -7.093 32 2HZ LYS 3 2HZ LYS 3 -8.597 -0.497 -6.260 33 3HZ LYS 3 3HZ LYS 3 -8.230 -1.134 -7.784 34 H LYS 4 H LYS 4 -5.415 3.577 -6.111 35 HA LYS 4 HA LYS 4 -3.721 2.380 -8.000 36 1HB LYS 4 2HB LYS 4 -5.528 4.123 -8.405 37 2HB LYS 4 1HB LYS 4 -4.363 5.324 -7.867 38 1HG LYS 4 2HG LYS 4 -2.829 4.497 -9.675 39 2HG LYS 4 1HG LYS 4 -4.182 3.538 -10.276 40 1HD LYS 4 2HD LYS 4 -5.508 5.661 -10.414 41 2HD LYS 4 1HD LYS 4 -4.024 6.539 -10.034 42 1HE LYS 4 2HE LYS 4 -2.995 5.325 -12.026 43 2HE LYS 4 1HE LYS 4 -4.644 4.874 -12.458 44 1HZ LYS 4 1HZ LYS 4 -4.773 6.817 -13.490 45 2HZ LYS 4 2HZ LYS 4 -3.300 7.346 -12.851 46 3HZ LYS 4 3HZ LYS 4 -4.732 7.581 -11.980 47 H ASP 5 H ASP 5 -3.142 4.904 -5.598 48 HA ASP 5 HA ASP 5 -0.523 5.563 -6.435 49 1HB ASP 5 2HB ASP 5 -2.093 5.968 -3.914 50 2HB ASP 5 1HB ASP 5 -0.370 6.330 -3.932 51 H VAL 6 H VAL 6 -1.651 3.497 -3.751 52 HA VAL 6 HA VAL 6 0.796 2.623 -2.838 53 HB VAL 6 HB VAL 6 -1.592 0.801 -2.957 54 1HG1 VAL 6 1HG1 VAL 6 0.142 -0.292 -1.915 55 2HG1 VAL 6 2HG1 VAL 6 -0.694 0.448 -0.549 56 3HG1 VAL 6 3HG1 VAL 6 0.771 1.187 -1.191 57 1HG2 VAL 6 1HG2 VAL 6 -1.264 3.333 -1.396 58 2HG2 VAL 6 2HG2 VAL 6 -2.169 1.982 -0.714 59 3HG2 VAL 6 3HG2 VAL 6 -2.687 2.711 -2.233 60 H ILE 7 H ILE 7 -1.307 1.086 -5.265 61 HA ILE 7 HA ILE 7 0.382 -1.072 -5.855 62 HB ILE 7 HB ILE 7 -1.731 0.300 -7.514 63 1HG1 ILE 7 2HG1 ILE 7 -1.670 -2.305 -5.975 64 2HG1 ILE 7 1HG1 ILE 7 -2.554 -0.848 -5.529 65 1HG2 ILE 7 1HG2 ILE 7 -1.655 -1.733 -8.956 66 2HG2 ILE 7 2HG2 ILE 7 -0.159 -2.192 -8.144 67 3HG2 ILE 7 3HG2 ILE 7 -0.230 -0.700 -9.082 68 1HD1 ILE 7 1HD1 ILE 7 -3.883 -2.724 -6.578 69 2HD1 ILE 7 2HD1 ILE 7 -3.074 -2.316 -8.092 70 3HD1 ILE 7 3HD1 ILE 7 -4.088 -1.120 -7.284 71 H ASP 8 H ASP 8 0.471 2.251 -6.849 72 HA ASP 8 HA ASP 8 2.194 1.842 -9.104 73 1HB ASP 8 2HB ASP 8 0.704 4.003 -8.007 74 2HB ASP 8 1HB ASP 8 2.386 4.517 -8.090 75 H HIS 9 H HIS 9 2.567 2.343 -5.692 76 HA HIS 9 HA HIS 9 5.382 2.961 -5.894 77 1HB HIS 9 2HB HIS 9 4.229 4.074 -4.125 78 2HB HIS 9 1HB HIS 9 3.515 2.570 -3.556 79 HD1 HIS 9 1HD HIS 9 6.404 4.764 -3.093 80 HD2 HIS 9 2HD HIS 9 5.437 0.807 -2.272 81 HE1 HIS 9 1HE HIS 9 8.109 3.989 -1.416 82 HE2 HIS 9 2HE HIS 9 7.472 1.608 -0.893 83 H PHE 10 H PHE 10 3.320 0.236 -5.166 84 HA PHE 10 HA PHE 10 5.577 -1.439 -4.413 85 1HB PHE 10 2HB PHE 10 2.600 -1.786 -4.416 86 2HB PHE 10 1HB PHE 10 3.652 -3.195 -4.304 87 HD1 PHE 10 1HD PHE 10 5.150 -3.468 -2.381 88 HD2 PHE 10 2HD PHE 10 2.321 -0.297 -2.583 89 HE1 PHE 10 1HE PHE 10 5.395 -3.101 0.041 90 HE2 PHE 10 2HE PHE 10 2.560 0.078 -0.163 91 HZ PHE 10 HZ PHE 10 4.099 -1.325 1.153 92 H GLY 11 H GLY 11 3.257 -1.080 -7.046 93 1HA GLY 11 2HA GLY 11 3.758 -1.598 -9.301 94 2HA GLY 11 1HA GLY 11 5.029 -2.678 -8.744 95 H THR 12 H THR 12 3.427 -4.070 -6.817 96 HA THR 12 HA THR 12 1.287 -5.293 -8.371 97 HB THR 12 HB THR 12 2.288 -7.583 -7.687 98 HG1 THR 12 1HG THR 12 4.613 -5.962 -7.630 99 1HG2 THR 12 1HG2 THR 12 2.264 -7.362 -9.953 100 2HG2 THR 12 2HG2 THR 12 4.003 -7.404 -9.659 101 3HG2 THR 12 3HG2 THR 12 3.191 -5.862 -9.931 102 H GLN 13 H GLN 13 -0.289 -6.267 -7.125 103 HA GLN 13 HA GLN 13 -0.742 -5.325 -4.567 104 1HB GLN 13 2HB GLN 13 -2.434 -7.163 -4.388 105 2HB GLN 13 1HB GLN 13 -2.559 -6.202 -5.854 106 1HG GLN 13 2HG GLN 13 -1.095 -8.060 -6.903 107 2HG GLN 13 1HG GLN 13 -1.618 -9.013 -5.514 108 1HE2 GLN 13 1HE2 GLN 13 -4.206 -7.997 -5.249 109 2HE2 GLN 13 2HE2 GLN 13 -5.142 -8.516 -6.604 110 H ARG 14 H ARG 14 0.527 -8.515 -5.509 111 HA ARG 14 HA ARG 14 0.768 -9.718 -3.067 112 1HB ARG 14 2HB ARG 14 2.814 -10.849 -4.088 113 2HB ARG 14 1HB ARG 14 1.299 -11.004 -4.959 114 1HG ARG 14 2HG ARG 14 2.509 -8.700 -5.976 115 2HG ARG 14 1HG ARG 14 3.803 -9.888 -5.820 116 1HD ARG 14 2HD ARG 14 2.394 -11.515 -7.049 117 2HD ARG 14 1HD ARG 14 1.189 -10.247 -7.281 118 HE ARG 14 HE ARG 14 2.458 -9.440 -8.991 119 1HH1 ARG 14 1HH1 ARG 14 4.503 -11.388 -6.940 120 2HH1 ARG 14 2HH1 ARG 14 5.881 -11.260 -7.982 121 1HH2 ARG 14 1HH2 ARG 14 4.269 -9.271 -10.360 122 2HH2 ARG 14 2HH2 ARG 14 5.748 -10.058 -9.922 123 H ALA 15 H ALA 15 2.926 -7.322 -4.503 124 HA ALA 15 HA ALA 15 5.018 -7.483 -2.651 125 1HB ALA 15 1HB ALA 15 5.547 -5.157 -3.371 126 2HB ALA 15 2HB ALA 15 4.040 -5.147 -4.287 127 3HB ALA 15 3HB ALA 15 5.318 -6.287 -4.706 128 H VAL 16 H VAL 16 2.141 -5.392 -2.669 129 HA VAL 16 HA VAL 16 2.697 -3.968 -0.337 130 HB VAL 16 HB VAL 16 -0.152 -4.613 -0.833 131 1HG1 VAL 16 1HG1 VAL 16 -0.491 -2.510 -0.080 132 2HG1 VAL 16 2HG1 VAL 16 0.944 -1.874 -0.886 133 3HG1 VAL 16 3HG1 VAL 16 1.105 -2.772 0.623 134 1HG2 VAL 16 1HG2 VAL 16 1.617 -3.360 -2.908 135 2HG2 VAL 16 2HG2 VAL 16 -0.088 -2.921 -2.776 136 3HG2 VAL 16 3HG2 VAL 16 0.371 -4.592 -3.108 137 H ALA 17 H ALA 17 0.774 -6.929 -0.779 138 HA ALA 17 HA ALA 17 0.017 -7.289 1.882 139 1HB ALA 17 1HB ALA 17 0.209 -9.847 0.978 140 2HB ALA 17 2HB ALA 17 0.122 -8.945 -0.535 141 3HB ALA 17 3HB ALA 17 -1.153 -8.771 0.668 142 H LYS 18 H LYS 18 2.951 -8.269 0.182 143 HA LYS 18 HA LYS 18 4.006 -9.834 2.308 144 1HB LYS 18 2HB LYS 18 4.826 -9.006 -0.343 145 2HB LYS 18 1HB LYS 18 6.168 -8.904 0.788 146 1HG LYS 18 2HG LYS 18 6.469 -11.084 0.604 147 2HG LYS 18 1HG LYS 18 4.866 -11.356 1.283 148 1HD LYS 18 2HD LYS 18 4.221 -12.194 -0.674 149 2HD LYS 18 1HD LYS 18 4.482 -10.612 -1.409 150 1HE LYS 18 2HE LYS 18 5.742 -12.213 -2.655 151 2HE LYS 18 1HE LYS 18 6.879 -11.240 -1.723 152 1HZ LYS 18 1HZ LYS 18 7.614 -13.392 -1.396 153 2HZ LYS 18 2HZ LYS 18 6.054 -14.038 -1.289 154 3HZ LYS 18 3HZ LYS 18 6.678 -13.123 -0.012 155 H ALA 19 H ALA 19 4.077 -6.438 1.520 156 HA ALA 19 HA ALA 19 6.198 -5.815 3.369 157 1HB ALA 19 1HB ALA 19 5.430 -3.426 2.870 158 2HB ALA 19 2HB ALA 19 4.356 -4.158 1.678 159 3HB ALA 19 3HB ALA 19 6.103 -4.365 1.539 160 H LEU 20 H LEU 20 2.671 -5.418 3.281 161 HA LEU 20 HA LEU 20 2.590 -4.273 5.922 162 1HB LEU 20 2HB LEU 20 0.373 -5.289 4.143 163 2HB LEU 20 1HB LEU 20 0.138 -4.412 5.642 164 HG LEU 20 HG LEU 20 1.605 -3.263 3.271 165 1HD1 LEU 20 1HD1 LEU 20 -0.694 -1.898 3.310 166 2HD1 LEU 20 2HD1 LEU 20 -1.282 -3.469 3.858 167 3HD1 LEU 20 3HD1 LEU 20 -0.441 -3.332 2.313 168 1HD2 LEU 20 1HD2 LEU 20 0.294 -1.804 5.545 169 2HD2 LEU 20 2HD2 LEU 20 1.486 -1.206 4.390 170 3HD2 LEU 20 3HD2 LEU 20 1.965 -2.363 5.632 171 H GLY 21 H GLY 21 2.219 -7.440 4.494 172 1HA GLY 21 2HA GLY 21 2.672 -9.386 5.837 173 2HA GLY 21 1HA GLY 21 1.968 -8.547 7.212 174 H ILE 22 H ILE 22 -0.106 -7.760 4.884 175 HA ILE 22 HA ILE 22 -2.017 -9.750 5.702 176 HB ILE 22 HB ILE 22 -3.593 -8.516 4.238 177 1HG1 ILE 22 2HG1 ILE 22 -1.303 -6.597 3.788 178 2HG1 ILE 22 1HG1 ILE 22 -1.813 -7.794 2.601 179 1HG2 ILE 22 1HG2 ILE 22 -3.087 -7.913 6.639 180 2HG2 ILE 22 2HG2 ILE 22 -3.812 -6.641 5.655 181 3HG2 ILE 22 3HG2 ILE 22 -2.083 -6.609 6.004 182 1HD1 ILE 22 1HD1 ILE 22 -3.826 -5.896 3.695 183 2HD1 ILE 22 2HD1 ILE 22 -3.755 -6.685 2.119 184 3HD1 ILE 22 3HD1 ILE 22 -2.676 -5.337 2.480 185 H SER 23 H SER 23 -3.544 -10.518 3.799 186 HA SER 23 HA SER 23 -1.865 -12.161 2.104 187 1HB SER 23 2HB SER 23 -4.882 -12.142 2.178 188 2HB SER 23 1HB SER 23 -3.818 -13.447 1.657 189 HG SER 23 HG SER 23 -4.409 -13.984 3.688 190 H ASP 24 H ASP 24 -2.299 -12.414 -0.198 191 HA ASP 24 HA ASP 24 -2.206 -9.987 -1.588 192 1HB ASP 24 2HB ASP 24 -2.573 -11.444 -3.632 193 2HB ASP 24 1HB ASP 24 -1.216 -11.896 -2.605 194 H ALA 25 H ALA 25 -4.890 -12.044 -0.724 195 HA ALA 25 HA ALA 25 -6.796 -10.981 -2.525 196 1HB ALA 25 1HB ALA 25 -7.388 -13.028 -1.589 197 2HB ALA 25 2HB ALA 25 -8.437 -11.881 -0.756 198 3HB ALA 25 3HB ALA 25 -6.996 -12.504 0.049 199 H ALA 26 H ALA 26 -5.800 -10.074 0.738 200 HA ALA 26 HA ALA 26 -7.823 -8.224 1.298 201 1HB ALA 26 1HB ALA 26 -5.772 -7.161 2.656 202 2HB ALA 26 2HB ALA 26 -5.100 -8.756 2.317 203 3HB ALA 26 3HB ALA 26 -6.630 -8.610 3.183 204 H VAL 27 H VAL 27 -4.695 -7.801 -0.316 205 HA VAL 27 HA VAL 27 -4.932 -4.992 -0.652 206 HB VAL 27 HB VAL 27 -3.264 -6.958 -2.230 207 1HG1 VAL 27 1HG1 VAL 27 -2.962 -3.971 -1.940 208 2HG1 VAL 27 2HG1 VAL 27 -3.576 -4.802 -3.371 209 3HG1 VAL 27 3HG1 VAL 27 -1.906 -5.048 -2.856 210 1HG2 VAL 27 1HG2 VAL 27 -2.739 -7.069 0.131 211 2HG2 VAL 27 2HG2 VAL 27 -2.600 -5.313 0.210 212 3HG2 VAL 27 3HG2 VAL 27 -1.438 -6.248 -0.730 213 H SER 28 H SER 28 -5.891 -7.768 -2.577 214 HA SER 28 HA SER 28 -6.520 -6.274 -4.926 215 1HB SER 28 2HB SER 28 -7.284 -8.295 -5.836 216 2HB SER 28 1HB SER 28 -6.043 -8.813 -4.695 217 HG SER 28 HG SER 28 -7.678 -10.070 -4.120 218 H GLN 29 H GLN 29 -8.257 -7.201 -2.040 219 HA GLN 29 HA GLN 29 -10.850 -6.551 -3.043 220 1HB GLN 29 2HB GLN 29 -9.697 -7.318 -0.419 221 2HB GLN 29 1HB GLN 29 -11.220 -6.455 -0.394 222 1HG GLN 29 2HG GLN 29 -12.370 -8.180 -1.311 223 2HG GLN 29 1HG GLN 29 -10.990 -8.746 -2.252 224 1HE2 GLN 29 1HE2 GLN 29 -10.030 -10.525 -1.578 225 2HE2 GLN 29 2HE2 GLN 29 -10.150 -11.209 0.003 226 H TRP 30 H TRP 30 -8.231 -4.693 -1.913 227 HA TRP 30 HA TRP 30 -9.402 -2.567 -0.598 228 1HB TRP 30 2HB TRP 30 -7.009 -2.795 -2.389 229 2HB TRP 30 1HB TRP 30 -7.517 -1.212 -1.813 230 HD1 TRP 30 HD TRP 30 -8.388 -3.095 1.036 231 HE1 TRP 30 1HE TRP 30 -6.481 -3.274 2.755 232 HE3 TRP 30 3HE TRP 30 -4.470 -1.733 -1.951 233 HZ2 TRP 30 2HZ TRP 30 -3.685 -2.890 2.833 234 HZ3 TRP 30 3HZ TRP 30 -2.212 -1.663 -0.977 235 HH2 TRP 30 HH TRP 30 -1.829 -2.229 1.366 236 H LYS 31 H LYS 31 -10.820 -1.056 -1.143 237 HA LYS 31 HA LYS 31 -11.820 -0.916 -3.840 238 1HB LYS 31 2HB LYS 31 -12.580 0.902 -1.557 239 2HB LYS 31 1HB LYS 31 -13.540 0.482 -2.970 240 1HG LYS 31 2HG LYS 31 -12.870 -1.906 -1.557 241 2HG LYS 31 1HG LYS 31 -13.550 -0.731 -0.427 242 1HD LYS 31 2HD LYS 31 -14.960 -0.965 -3.004 243 2HD LYS 31 1HD LYS 31 -15.030 -2.391 -1.964 244 1HE LYS 31 2HE LYS 31 -15.520 -0.386 -0.186 245 2HE LYS 31 1HE LYS 31 -16.270 0.250 -1.648 246 1HZ LYS 31 1HZ LYS 31 -17.170 -2.252 -1.674 247 2HZ LYS 31 2HZ LYS 31 -18.000 -0.974 -0.933 248 3HZ LYS 31 3HZ LYS 31 -17.040 -2.014 -0.004 249 H GLU 32 H GLU 32 -12.490 1.798 -4.039 250 HA GLU 32 HA GLU 32 -10.330 2.878 -5.362 251 1HB GLU 32 2HB GLU 32 -12.920 3.843 -4.417 252 2HB GLU 32 1HB GLU 32 -11.700 5.113 -4.465 253 1HG GLU 32 2HG GLU 32 -11.510 5.037 -6.735 254 2HG GLU 32 1HG GLU 32 -11.960 3.337 -6.829 255 H VAL 33 H VAL 33 -11.150 3.083 -1.961 256 HA VAL 33 HA VAL 33 -8.592 4.460 -1.489 257 HB VAL 33 HB VAL 33 -11.050 4.820 0.214 258 1HG1 VAL 33 1HG1 VAL 33 -9.830 6.166 1.543 259 2HG1 VAL 33 2HG1 VAL 33 -8.870 6.793 0.203 260 3HG1 VAL 33 3HG1 VAL 33 -8.486 5.220 0.903 261 1HG2 VAL 33 1HG2 VAL 33 -11.800 6.019 -1.548 262 2HG2 VAL 33 2HG2 VAL 33 -10.190 6.192 -2.252 263 3HG2 VAL 33 3HG2 VAL 33 -10.690 7.236 -0.919 264 H ILE 34 H ILE 34 -7.244 3.473 -0.114 265 HA ILE 34 HA ILE 34 -7.814 0.886 0.886 266 HB ILE 34 HB ILE 34 -5.650 1.082 2.078 267 1HG1 ILE 34 2HG1 ILE 34 -5.590 3.866 0.896 268 2HG1 ILE 34 1HG1 ILE 34 -5.819 3.497 2.602 269 1HG2 ILE 34 1HG2 ILE 34 -4.275 1.122 0.123 270 2HG2 ILE 34 2HG2 ILE 34 -5.473 2.067 -0.761 271 3HG2 ILE 34 3HG2 ILE 34 -5.824 0.398 -0.309 272 1HD1 ILE 34 1HD1 ILE 34 -3.372 2.956 0.944 273 2HD1 ILE 34 2HD1 ILE 34 -3.594 2.411 2.608 274 3HD1 ILE 34 3HD1 ILE 34 -3.548 4.135 2.243 275 HA PRO 35 HA PRO 35 -9.559 1.415 4.892 276 1HB PRO 35 2HB PRO 35 -7.265 -0.052 6.081 277 2HB PRO 35 1HB PRO 35 -8.994 -0.402 6.174 278 1HG PRO 35 2HG PRO 35 -7.385 -1.868 4.636 279 2HG PRO 35 1HG PRO 35 -9.027 -1.457 4.111 280 1HD PRO 35 2HD PRO 35 -6.412 -0.286 3.257 281 2HD PRO 35 1HD PRO 35 -7.863 -0.631 2.292 282 H GLU 36 H GLU 36 -9.255 2.426 6.977 283 HA GLU 36 HA GLU 36 -7.579 4.705 6.855 284 1HB GLU 36 2HB GLU 36 -9.734 4.729 8.013 285 2HB GLU 36 1HB GLU 36 -9.132 3.560 9.182 286 1HG GLU 36 2HG GLU 36 -7.523 6.003 8.915 287 2HG GLU 36 1HG GLU 36 -9.150 6.231 9.558 288 H LYS 37 H LYS 37 -7.275 1.580 8.416 289 HA LYS 37 HA LYS 37 -4.915 2.416 9.890 290 1HB LYS 37 2HB LYS 37 -4.942 0.189 10.852 291 2HB LYS 37 1HB LYS 37 -6.551 0.893 10.934 292 1HG LYS 37 2HG LYS 37 -6.876 -0.397 8.668 293 2HG LYS 37 1HG LYS 37 -5.551 -1.379 9.297 294 1HD LYS 37 2HD LYS 37 -7.193 -2.529 10.318 295 2HD LYS 37 1HD LYS 37 -7.157 -1.201 11.480 296 1HE LYS 37 2HE LYS 37 -9.351 -1.051 11.019 297 2HE LYS 37 1HE LYS 37 -8.801 -0.178 9.589 298 1HZ LYS 37 1HZ LYS 37 -8.889 -2.231 8.335 299 2HZ LYS 37 2HZ LYS 37 -10.390 -1.914 9.035 300 3HZ LYS 37 3HZ LYS 37 -9.381 -3.089 9.707 301 H ASP 38 H ASP 38 -5.635 1.035 6.847 302 HA ASP 38 HA ASP 38 -3.136 -0.371 6.563 303 1HB ASP 38 2HB ASP 38 -5.592 -0.076 5.038 304 2HB ASP 38 1HB ASP 38 -4.173 0.049 4.004 305 H ALA 39 H ALA 39 -4.506 2.701 5.492 306 HA ALA 39 HA ALA 39 -2.400 3.538 3.854 307 1HB ALA 39 1HB ALA 39 -4.259 5.237 5.512 308 2HB ALA 39 2HB ALA 39 -4.587 4.630 3.889 309 3HB ALA 39 3HB ALA 39 -3.285 5.791 4.150 310 H TYR 40 H TYR 40 -2.712 3.460 7.324 311 HA TYR 40 HA TYR 40 -0.600 5.318 7.852 312 1HB TYR 40 2HB TYR 40 -2.353 4.903 9.507 313 2HB TYR 40 1HB TYR 40 -1.856 3.213 9.630 314 HD1 TYR 40 1HD TYR 40 -0.957 6.683 10.454 315 HD2 TYR 40 2HD TYR 40 0.097 2.584 10.893 316 HE1 TYR 40 1HE TYR 40 0.624 7.288 12.236 317 HE2 TYR 40 2HE TYR 40 1.681 3.178 12.679 318 HH TYR 40 HH TYR 40 1.699 6.178 14.199 319 H ARG 41 H ARG 41 -0.840 1.773 7.841 320 HA ARG 41 HA ARG 41 1.803 1.257 8.646 321 1HB ARG 41 2HB ARG 41 -0.361 -0.295 7.327 322 2HB ARG 41 1HB ARG 41 1.272 -0.936 7.210 323 1HG ARG 41 2HG ARG 41 1.324 -1.549 9.363 324 2HG ARG 41 1HG ARG 41 0.492 -0.091 9.905 325 1HD ARG 41 2HD ARG 41 -1.307 -1.360 10.230 326 2HD ARG 41 1HD ARG 41 -1.431 -1.502 8.478 327 HE ARG 41 HE ARG 41 0.316 -3.456 9.117 328 1HH1 ARG 41 1HH1 ARG 41 -2.847 -2.617 10.332 329 2HH1 ARG 41 2HH1 ARG 41 -3.259 -4.249 10.742 330 1HH2 ARG 41 1HH2 ARG 41 -0.224 -5.602 9.657 331 2HH2 ARG 41 2HH2 ARG 41 -1.771 -5.943 10.359 332 H LEU 42 H LEU 42 0.420 1.991 5.517 333 HA LEU 42 HA LEU 42 2.487 1.113 3.862 334 1HB LEU 42 2HB LEU 42 0.579 3.426 3.552 335 2HB LEU 42 1HB LEU 42 1.660 2.885 2.281 336 HG LEU 42 HG LEU 42 -0.416 1.106 3.553 337 1HD1 LEU 42 1HD1 LEU 42 -1.267 3.198 2.316 338 2HD1 LEU 42 2HD1 LEU 42 -1.926 1.624 1.871 339 3HD1 LEU 42 3HD1 LEU 42 -0.696 2.382 0.860 340 1HD2 LEU 42 1HD2 LEU 42 -0.040 -0.298 1.615 341 2HD2 LEU 42 2HD2 LEU 42 1.482 -0.020 2.462 342 3HD2 LEU 42 3HD2 LEU 42 1.128 0.858 0.974 343 H GLU 43 H GLU 43 2.085 4.169 5.591 344 HA GLU 43 HA GLU 43 4.259 5.532 4.466 345 1HB GLU 43 2HB GLU 43 2.427 6.531 5.869 346 2HB GLU 43 1HB GLU 43 3.225 5.854 7.284 347 1HG GLU 43 2HG GLU 43 5.295 7.147 6.448 348 2HG GLU 43 1HG GLU 43 4.135 8.053 5.477 349 H ILE 44 H ILE 44 4.198 2.903 6.659 350 HA ILE 44 HA ILE 44 6.857 3.474 7.706 351 HB ILE 44 HB ILE 44 5.138 1.056 8.242 352 1HG1 ILE 44 2HG1 ILE 44 5.102 3.819 9.356 353 2HG1 ILE 44 1HG1 ILE 44 3.776 2.687 9.122 354 1HG2 ILE 44 1HG2 ILE 44 6.551 0.783 10.205 355 2HG2 ILE 44 2HG2 ILE 44 7.467 2.223 9.763 356 3HG2 ILE 44 3HG2 ILE 44 7.525 0.792 8.734 357 1HD1 ILE 44 1HD1 ILE 44 5.836 2.574 11.311 358 2HD1 ILE 44 2HD1 ILE 44 4.518 1.424 11.077 359 3HD1 ILE 44 3HD1 ILE 44 4.163 3.105 11.474 360 H VAL 45 H VAL 45 5.231 0.895 5.864 361 HA VAL 45 HA VAL 45 7.551 -0.616 5.355 362 HB VAL 45 HB VAL 45 6.192 -1.531 3.395 363 1HG1 VAL 45 1HG1 VAL 45 5.599 -1.718 6.283 364 2HG1 VAL 45 2HG1 VAL 45 6.078 -2.972 5.138 365 3HG1 VAL 45 3HG1 VAL 45 4.405 -2.413 5.187 366 1HG2 VAL 45 1HG2 VAL 45 3.883 -0.992 3.244 367 2HG2 VAL 45 2HG2 VAL 45 4.772 0.529 3.206 368 3HG2 VAL 45 3HG2 VAL 45 3.959 0.021 4.685 369 H THR 46 H THR 46 5.986 1.989 3.575 370 HA THR 46 HA THR 46 7.768 1.804 1.336 371 HB THR 46 HB THR 46 6.584 3.746 0.513 372 HG1 THR 46 1HG THR 46 5.463 3.857 3.106 373 1HG2 THR 46 1HG2 THR 46 4.157 2.695 1.502 374 2HG2 THR 46 2HG2 THR 46 5.273 1.354 1.240 375 3HG2 THR 46 3HG2 THR 46 4.897 2.460 -0.080 376 H ALA 47 H ALA 47 8.404 2.754 4.370 377 HA ALA 47 HA ALA 47 10.052 3.994 5.327 378 1HB ALA 47 1HB ALA 47 11.147 3.174 3.007 379 2HB ALA 47 2HB ALA 47 11.994 4.170 4.190 380 3HB ALA 47 3HB ALA 47 11.230 4.922 2.789 381 H GLY 48 H GLY 48 7.499 5.172 4.556 382 1HA GLY 48 2HA GLY 48 6.606 7.279 4.962 383 2HA GLY 48 1HA GLY 48 8.233 7.941 4.953 384 H ALA 49 H ALA 49 7.169 5.962 2.307 385 HA ALA 49 HA ALA 49 7.712 7.985 0.403 386 1HB ALA 49 1HB ALA 49 6.051 5.553 -0.175 387 2HB ALA 49 2HB ALA 49 7.789 5.439 0.106 388 3HB ALA 49 3HB ALA 49 7.174 6.406 -1.234 389 H LEU 50 H LEU 50 4.630 6.449 1.342 390 HA LEU 50 HA LEU 50 3.157 8.596 0.036 391 1HB LEU 50 2HB LEU 50 2.246 6.063 1.401 392 2HB LEU 50 1HB LEU 50 1.157 7.234 0.680 393 HG LEU 50 HG LEU 50 2.792 6.741 -1.424 394 1HD1 LEU 50 1HD1 LEU 50 2.729 4.082 -1.301 395 2HD1 LEU 50 2HD1 LEU 50 2.972 4.426 0.411 396 3HD1 LEU 50 3HD1 LEU 50 4.126 5.025 -0.780 397 1HD2 LEU 50 1HD2 LEU 50 0.381 5.095 -0.665 398 2HD2 LEU 50 2HD2 LEU 50 1.007 5.360 -2.293 399 3HD2 LEU 50 3HD2 LEU 50 0.328 6.708 -1.379 400 H LYS 51 H LYS 51 2.169 10.228 1.068 401 HA LYS 51 HA LYS 51 2.624 10.520 3.910 402 1HB LYS 51 2HB LYS 51 1.467 12.342 1.805 403 2HB LYS 51 1HB LYS 51 1.510 12.773 3.510 404 1HG LYS 51 2HG LYS 51 3.511 13.642 3.113 405 2HG LYS 51 1HG LYS 51 4.102 11.985 2.975 406 1HD LYS 51 2HD LYS 51 4.807 12.786 0.961 407 2HD LYS 51 1HD LYS 51 3.185 12.270 0.499 408 1HE LYS 51 2HE LYS 51 2.346 14.492 0.660 409 2HE LYS 51 1HE LYS 51 3.833 15.061 1.420 410 1HZ LYS 51 1HZ LYS 51 4.923 14.289 -0.758 411 2HZ LYS 51 2HZ LYS 51 4.056 15.740 -0.762 412 3HZ LYS 51 3HZ LYS 51 3.356 14.338 -1.397 413 H TYR 52 H TYR 52 1.271 9.184 5.024 414 HA TYR 52 HA TYR 52 -1.419 8.670 4.415 415 1HB TYR 52 2HB TYR 52 -0.245 7.197 5.903 416 2HB TYR 52 1HB TYR 52 0.109 8.513 7.017 417 HD1 TYR 52 1HD TYR 52 -0.985 8.172 9.010 418 HD2 TYR 52 2HD TYR 52 -3.055 7.324 5.391 419 HE1 TYR 52 1HE TYR 52 -3.005 7.622 10.297 420 HE2 TYR 52 2HE TYR 52 -5.069 6.765 6.668 421 HH TYR 52 HH TYR 52 -5.301 7.343 10.101 422 H GLN 53 H GLN 53 -3.276 9.723 4.838 423 HA GLN 53 HA GLN 53 -3.204 12.017 6.659 424 1HB GLN 53 2HB GLN 53 -4.649 13.263 4.987 425 2HB GLN 53 1HB GLN 53 -2.953 13.081 4.560 426 1HG GLN 53 2HG GLN 53 -4.909 11.067 3.575 427 2HG GLN 53 1HG GLN 53 -4.848 12.652 2.806 428 1HE2 GLN 53 1HE2 GLN 53 -2.545 13.372 2.281 429 2HE2 GLN 53 2HE2 GLN 53 -1.531 12.182 1.546 430 H GLU 54 H GLU 54 -4.611 11.537 8.195 431 HA GLU 54 HA GLU 54 -6.724 9.698 7.939 432 1HB GLU 54 2HB GLU 54 -5.611 11.392 10.003 433 2HB GLU 54 1HB GLU 54 -7.368 11.400 10.076 434 1HG GLU 54 2HG GLU 54 -6.870 8.752 9.774 435 2HG GLU 54 1HG GLU 54 -5.459 9.267 10.698 436 H ASN 55 H ASN 55 -6.479 12.947 6.944 437 HA ASN 55 HA ASN 55 -8.990 14.000 7.302 438 1HB ASN 55 2HB ASN 55 -7.010 14.278 5.057 439 2HB ASN 55 1HB ASN 55 -8.550 15.132 5.019 440 1HD2 ASN 55 1HD2 ASN 55 -6.899 16.925 4.945 441 2HD2 ASN 55 2HD2 ASN 55 -6.423 17.602 6.461 442 H ALA 56 H ALA 56 -7.910 11.832 4.712 443 HA ALA 56 HA ALA 56 -10.610 11.662 3.654 444 1HB ALA 56 1HB ALA 56 -7.923 10.907 2.707 445 2HB ALA 56 2HB ALA 56 -9.274 11.634 1.835 446 3HB ALA 56 3HB ALA 56 -9.263 9.899 2.160 447 H TYR 57 H TYR 57 -9.454 10.443 6.302 448 HA TYR 57 HA TYR 57 -10.770 7.846 5.949 449 1HB TYR 57 2HB TYR 57 -8.215 8.349 7.485 450 2HB TYR 57 1HB TYR 57 -9.092 6.822 7.439 451 HD1 TYR 57 1HD TYR 57 -9.616 6.026 4.917 452 HD2 TYR 57 2HD TYR 57 -6.372 8.511 6.104 453 HE1 TYR 57 1HE TYR 57 -8.378 5.362 2.903 454 HE2 TYR 57 2HE TYR 57 -5.123 7.851 4.091 455 HH TYR 57 HH TYR 57 -6.547 5.680 1.667 456 H ARG 58 H ARG 58 -11.590 10.485 7.065 457 HA ARG 58 HA ARG 58 -12.260 9.574 9.784 458 1HB ARG 58 2HB ARG 58 -11.000 12.004 8.926 459 2HB ARG 58 1HB ARG 58 -12.560 12.389 9.638 460 1HG ARG 58 2HG ARG 58 -11.140 10.457 11.242 461 2HG ARG 58 1HG ARG 58 -10.170 11.905 10.974 462 1HD ARG 58 2HD ARG 58 -11.580 13.237 12.152 463 2HD ARG 58 1HD ARG 58 -13.010 12.326 11.673 464 HE ARG 58 HE ARG 58 -11.300 10.889 13.468 465 1HH1 ARG 58 1HH1 ARG 58 -13.880 13.219 13.253 466 2HH1 ARG 58 2HH1 ARG 58 -14.480 12.892 14.846 467 1HH2 ARG 58 1HH2 ARG 58 -12.080 10.456 15.564 468 2HH2 ARG 58 2HH2 ARG 58 -13.460 11.324 16.159 469 H GLN 59 H GLN 59 -13.330 11.451 6.976 470 HA GLN 59 HA GLN 59 -16.060 10.581 7.455 471 1HB GLN 59 2HB GLN 59 -15.400 12.958 8.533 472 2HB GLN 59 1HB GLN 59 -15.820 13.485 6.909 473 1HG GLN 59 2HG GLN 59 -17.980 12.133 7.252 474 2HG GLN 59 1HG GLN 59 -17.550 12.167 8.962 475 1HE2 GLN 59 1HE2 GLN 59 -16.450 14.696 9.138 476 2HE2 GLN 59 2HE2 GLN 59 -17.680 15.873 8.875 477 H ALA 60 H ALA 60 -14.110 9.996 5.439 478 HA ALA 60 HA ALA 60 -15.400 11.214 3.081 479 1HB ALA 60 1HB ALA 60 -12.820 11.532 3.631 480 2HB ALA 60 2HB ALA 60 -13.410 11.346 1.978 481 3HB ALA 60 3HB ALA 60 -12.710 9.964 2.827 482 H ALA 61 H ALA 61 -16.490 9.889 1.794 483 HA ALA 61 HA ALA 61 -15.750 7.065 1.641 484 1HB ALA 61 1HB ALA 61 -17.580 7.503 3.407 485 2HB ALA 61 2HB ALA 61 -17.840 6.215 2.228 486 3HB ALA 61 3HB ALA 61 -18.640 7.773 2.022 Start of MODEL 3 1 1H MET 1 1HT MET 1 -5.369 7.842 1.616 2 2H MET 1 2HT MET 1 -3.653 7.831 1.645 3 3H MET 1 3HT MET 1 -4.517 6.392 1.284 4 HA MET 1 HA MET 1 -4.900 8.763 -0.363 5 1HB MET 1 2HB MET 1 -3.016 7.903 -1.794 6 2HB MET 1 1HB MET 1 -2.514 8.612 -0.266 7 1HG MET 1 2HG MET 1 -2.786 5.999 0.421 8 2HG MET 1 1HG MET 1 -2.248 5.871 -1.253 9 1HE MET 1 1HE MET 1 -0.259 7.101 2.484 10 2HE MET 1 2HE MET 1 -0.039 5.424 1.987 11 3HE MET 1 3HE MET 1 -1.663 6.095 2.126 12 H TYR 2 H TYR 2 -4.777 7.704 -2.755 13 HA TYR 2 HA TYR 2 -6.945 5.789 -2.763 14 1HB TYR 2 2HB TYR 2 -5.652 7.561 -4.774 15 2HB TYR 2 1HB TYR 2 -6.469 6.120 -5.369 16 HD1 TYR 2 1HD TYR 2 -7.026 9.080 -3.167 17 HD2 TYR 2 2HD TYR 2 -8.760 6.183 -5.755 18 HE1 TYR 2 1HE TYR 2 -9.182 10.253 -3.024 19 HE2 TYR 2 2HE TYR 2 -10.920 7.348 -5.621 20 HH TYR 2 HH TYR 2 -11.360 10.318 -4.778 21 H LYS 3 H LYS 3 -6.883 3.711 -3.511 22 HA LYS 3 HA LYS 3 -4.563 2.216 -3.191 23 1HB LYS 3 2HB LYS 3 -7.077 1.504 -3.316 24 2HB LYS 3 1HB LYS 3 -6.739 1.282 -5.028 25 1HG LYS 3 2HG LYS 3 -4.762 0.047 -3.268 26 2HG LYS 3 1HG LYS 3 -6.394 -0.601 -3.084 27 1HD LYS 3 2HD LYS 3 -5.484 -0.213 -5.861 28 2HD LYS 3 1HD LYS 3 -4.621 -1.450 -4.944 29 1HE LYS 3 2HE LYS 3 -6.626 -2.259 -6.230 30 2HE LYS 3 1HE LYS 3 -6.619 -2.651 -4.512 31 1HZ LYS 3 1HZ LYS 3 -8.114 -0.417 -5.775 32 2HZ LYS 3 2HZ LYS 3 -8.097 -0.773 -4.122 33 3HZ LYS 3 3HZ LYS 3 -8.785 -1.865 -5.215 34 H LYS 4 H LYS 4 -5.787 3.876 -5.998 35 HA LYS 4 HA LYS 4 -4.376 2.563 -8.016 36 1HB LYS 4 2HB LYS 4 -6.165 4.250 -8.381 37 2HB LYS 4 1HB LYS 4 -5.043 5.508 -7.882 38 1HG LYS 4 2HG LYS 4 -4.000 3.803 -10.005 39 2HG LYS 4 1HG LYS 4 -5.471 4.669 -10.450 40 1HD LYS 4 2HD LYS 4 -4.028 6.616 -9.187 41 2HD LYS 4 1HD LYS 4 -2.758 5.674 -9.972 42 1HE LYS 4 2HE LYS 4 -5.208 6.726 -11.378 43 2HE LYS 4 1HE LYS 4 -3.649 7.550 -11.353 44 1HZ LYS 4 1HZ LYS 4 -2.746 6.081 -12.786 45 2HZ LYS 4 2HZ LYS 4 -4.355 5.869 -13.264 46 3HZ LYS 4 3HZ LYS 4 -3.638 4.766 -12.203 47 H ASP 5 H ASP 5 -3.301 4.818 -5.602 48 HA ASP 5 HA ASP 5 -0.810 5.402 -6.949 49 1HB ASP 5 2HB ASP 5 -2.090 6.981 -5.380 50 2HB ASP 5 1HB ASP 5 -1.439 6.007 -4.065 51 H VAL 6 H VAL 6 -1.833 3.561 -4.085 52 HA VAL 6 HA VAL 6 0.617 2.707 -3.174 53 HB VAL 6 HB VAL 6 -1.789 0.904 -3.184 54 1HG1 VAL 6 1HG1 VAL 6 0.088 -0.099 -2.193 55 2HG1 VAL 6 2HG1 VAL 6 -0.897 0.484 -0.853 56 3HG1 VAL 6 3HG1 VAL 6 0.532 1.385 -1.354 57 1HG2 VAL 6 1HG2 VAL 6 -1.385 3.472 -1.692 58 2HG2 VAL 6 2HG2 VAL 6 -2.328 2.160 -0.984 59 3HG2 VAL 6 3HG2 VAL 6 -2.826 2.878 -2.517 60 H ILE 7 H ILE 7 -1.547 0.961 -5.412 61 HA ILE 7 HA ILE 7 0.132 -1.192 -5.939 62 HB ILE 7 HB ILE 7 -1.967 0.110 -7.672 63 1HG1 ILE 7 2HG1 ILE 7 -1.935 -2.385 -5.960 64 2HG1 ILE 7 1HG1 ILE 7 -2.816 -0.897 -5.629 65 1HG2 ILE 7 1HG2 ILE 7 -1.926 -1.979 -9.009 66 2HG2 ILE 7 2HG2 ILE 7 -0.465 -2.460 -8.145 67 3HG2 ILE 7 3HG2 ILE 7 -0.454 -1.017 -9.161 68 1HD1 ILE 7 1HD1 ILE 7 -4.142 -2.846 -6.549 69 2HD1 ILE 7 2HD1 ILE 7 -3.328 -2.541 -8.083 70 3HD1 ILE 7 3HD1 ILE 7 -4.344 -1.293 -7.361 71 H ASP 8 H ASP 8 0.241 2.069 -7.136 72 HA ASP 8 HA ASP 8 1.989 1.489 -9.341 73 1HB ASP 8 2HB ASP 8 0.400 3.657 -8.587 74 2HB ASP 8 1HB ASP 8 2.051 4.249 -8.429 75 H HIS 9 H HIS 9 2.308 2.304 -5.982 76 HA HIS 9 HA HIS 9 5.124 2.921 -6.200 77 1HB HIS 9 2HB HIS 9 3.968 4.188 -4.556 78 2HB HIS 9 1HB HIS 9 3.202 2.754 -3.882 79 HD1 HIS 9 1HD HIS 9 5.953 5.007 -3.324 80 HD2 HIS 9 2HD HIS 9 5.210 0.987 -2.578 81 HE1 HIS 9 1HE HIS 9 7.628 4.326 -1.575 82 HE2 HIS 9 2HE HIS 9 7.222 1.867 -1.211 83 H PHE 10 H PHE 10 3.081 0.227 -5.368 84 HA PHE 10 HA PHE 10 5.359 -1.343 -4.427 85 1HB PHE 10 2HB PHE 10 2.381 -1.747 -4.371 86 2HB PHE 10 1HB PHE 10 3.484 -3.082 -4.064 87 HD1 PHE 10 1HD PHE 10 4.968 -3.039 -2.112 88 HD2 PHE 10 2HD PHE 10 2.035 -0.029 -2.763 89 HE1 PHE 10 1HE PHE 10 5.172 -2.338 0.240 90 HE2 PHE 10 2HE PHE 10 2.231 0.678 -0.415 91 HZ PHE 10 HZ PHE 10 3.802 -0.476 1.090 92 H GLY 11 H GLY 11 3.205 -1.026 -7.149 93 1HA GLY 11 2HA GLY 11 3.633 -1.820 -9.313 94 2HA GLY 11 1HA GLY 11 4.857 -2.897 -8.652 95 H THR 12 H THR 12 3.585 -4.375 -6.835 96 HA THR 12 HA THR 12 1.233 -5.516 -8.175 97 HB THR 12 HB THR 12 2.207 -7.798 -7.467 98 HG1 THR 12 1HG THR 12 3.942 -6.924 -6.244 99 1HG2 THR 12 1HG2 THR 12 4.023 -7.405 -9.494 100 2HG2 THR 12 2HG2 THR 12 2.775 -6.201 -9.816 101 3HG2 THR 12 3HG2 THR 12 2.341 -7.906 -9.676 102 H GLN 13 H GLN 13 -0.331 -6.325 -6.825 103 HA GLN 13 HA GLN 13 -0.633 -5.300 -4.290 104 1HB GLN 13 2HB GLN 13 -2.281 -7.260 -3.974 105 2HB GLN 13 1HB GLN 13 -2.586 -6.112 -5.270 106 1HG GLN 13 2HG GLN 13 -0.967 -8.151 -6.349 107 2HG GLN 13 1HG GLN 13 -2.233 -8.938 -5.410 108 1HE2 GLN 13 1HE2 GLN 13 -4.339 -7.253 -5.750 109 2HE2 GLN 13 2HE2 GLN 13 -4.805 -7.214 -7.413 110 H ARG 14 H ARG 14 0.577 -8.522 -5.175 111 HA ARG 14 HA ARG 14 0.872 -9.687 -2.720 112 1HB ARG 14 2HB ARG 14 1.568 -10.422 -5.189 113 2HB ARG 14 1HB ARG 14 3.160 -9.967 -4.601 114 1HG ARG 14 2HG ARG 14 3.139 -11.607 -2.931 115 2HG ARG 14 1HG ARG 14 1.396 -11.846 -3.070 116 1HD ARG 14 2HD ARG 14 1.979 -13.627 -4.312 117 2HD ARG 14 1HD ARG 14 2.195 -12.434 -5.591 118 HE ARG 14 HE ARG 14 4.460 -12.766 -5.477 119 1HH1 ARG 14 1HH1 ARG 14 2.960 -14.187 -2.665 120 2HH1 ARG 14 2HH1 ARG 14 4.408 -14.978 -2.138 121 1HH2 ARG 14 1HH2 ARG 14 6.364 -13.807 -4.786 122 2HH2 ARG 14 2HH2 ARG 14 6.340 -14.762 -3.342 123 H ALA 15 H ALA 15 2.840 -7.154 -4.130 124 HA ALA 15 HA ALA 15 5.005 -7.297 -2.322 125 1HB ALA 15 1HB ALA 15 4.479 -4.610 -3.269 126 2HB ALA 15 2HB ALA 15 4.376 -5.798 -4.568 127 3HB ALA 15 3HB ALA 15 5.843 -5.678 -3.598 128 H VAL 16 H VAL 16 2.128 -5.198 -2.365 129 HA VAL 16 HA VAL 16 2.674 -3.816 0.001 130 HB VAL 16 HB VAL 16 -0.184 -4.352 -0.537 131 1HG1 VAL 16 1HG1 VAL 16 0.087 -2.621 0.920 132 2HG1 VAL 16 2HG1 VAL 16 0.038 -1.729 -0.600 133 3HG1 VAL 16 3HG1 VAL 16 1.586 -2.080 0.165 134 1HG2 VAL 16 1HG2 VAL 16 1.656 -3.272 -2.633 135 2HG2 VAL 16 2HG2 VAL 16 0.018 -2.633 -2.489 136 3HG2 VAL 16 3HG2 VAL 16 0.270 -4.349 -2.804 137 H ALA 17 H ALA 17 0.910 -6.829 -0.568 138 HA ALA 17 HA ALA 17 -0.099 -7.232 1.999 139 1HB ALA 17 1HB ALA 17 0.264 -9.759 1.234 140 2HB ALA 17 2HB ALA 17 0.497 -8.967 -0.324 141 3HB ALA 17 3HB ALA 17 -1.008 -8.738 0.564 142 H LYS 18 H LYS 18 3.096 -7.813 0.684 143 HA LYS 18 HA LYS 18 4.012 -9.308 2.964 144 1HB LYS 18 2HB LYS 18 4.874 -9.268 0.460 145 2HB LYS 18 1HB LYS 18 5.907 -7.986 1.076 146 1HG LYS 18 2HG LYS 18 6.643 -9.587 2.870 147 2HG LYS 18 1HG LYS 18 5.790 -10.849 1.979 148 1HD LYS 18 2HD LYS 18 7.925 -9.105 0.763 149 2HD LYS 18 1HD LYS 18 8.251 -10.675 1.498 150 1HE LYS 18 2HE LYS 18 6.201 -10.352 -0.669 151 2HE LYS 18 1HE LYS 18 7.909 -10.572 -1.046 152 1HZ LYS 18 1HZ LYS 18 6.307 -12.606 -0.843 153 2HZ LYS 18 2HZ LYS 18 6.631 -12.448 0.810 154 3HZ LYS 18 3HZ LYS 18 7.899 -12.707 -0.278 155 H ALA 19 H ALA 19 3.987 -5.970 1.953 156 HA ALA 19 HA ALA 19 5.916 -5.064 3.861 157 1HB ALA 19 1HB ALA 19 4.126 -2.977 3.045 158 2HB ALA 19 2HB ALA 19 4.573 -3.964 1.654 159 3HB ALA 19 3HB ALA 19 5.826 -3.212 2.641 160 H LEU 20 H LEU 20 2.365 -4.955 3.688 161 HA LEU 20 HA LEU 20 2.144 -3.825 6.328 162 1HB LEU 20 2HB LEU 20 -0.076 -5.064 4.718 163 2HB LEU 20 1HB LEU 20 -0.207 -3.857 5.984 164 HG LEU 20 HG LEU 20 1.282 -3.217 3.465 165 1HD1 LEU 20 1HD1 LEU 20 -1.072 -2.158 2.879 166 2HD1 LEU 20 2HD1 LEU 20 -1.646 -3.548 3.798 167 3HD1 LEU 20 3HD1 LEU 20 -0.631 -3.790 2.378 168 1HD2 LEU 20 1HD2 LEU 20 -0.458 -1.326 4.947 169 2HD2 LEU 20 2HD2 LEU 20 1.077 -1.049 4.123 170 3HD2 LEU 20 3HD2 LEU 20 1.054 -1.823 5.708 171 H GLY 21 H GLY 21 1.926 -7.000 4.867 172 1HA GLY 21 2HA GLY 21 2.389 -8.984 6.093 173 2HA GLY 21 1HA GLY 21 1.874 -8.165 7.559 174 H ILE 22 H ILE 22 -0.003 -7.993 4.628 175 HA ILE 22 HA ILE 22 -2.043 -9.696 5.904 176 HB ILE 22 HB ILE 22 -3.712 -8.448 4.563 177 1HG1 ILE 22 2HG1 ILE 22 -1.451 -6.534 3.961 178 2HG1 ILE 22 1HG1 ILE 22 -2.052 -7.720 2.808 179 1HG2 ILE 22 1HG2 ILE 22 -3.162 -6.161 5.827 180 2HG2 ILE 22 2HG2 ILE 22 -2.027 -7.223 6.662 181 3HG2 ILE 22 3HG2 ILE 22 -3.750 -7.599 6.664 182 1HD1 ILE 22 1HD1 ILE 22 -3.026 -5.114 3.358 183 2HD1 ILE 22 2HD1 ILE 22 -4.279 -6.282 3.777 184 3HD1 ILE 22 3HD1 ILE 22 -3.587 -6.277 2.155 185 H SER 23 H SER 23 -3.706 -10.388 4.048 186 HA SER 23 HA SER 23 -2.182 -12.122 2.322 187 1HB SER 23 2HB SER 23 -5.180 -11.768 2.555 188 2HB SER 23 1HB SER 23 -4.355 -13.080 1.714 189 HG SER 23 HG SER 23 -4.785 -13.897 3.684 190 H ASP 24 H ASP 24 -2.308 -12.207 0.051 191 HA ASP 24 HA ASP 24 -2.187 -9.737 -1.264 192 1HB ASP 24 2HB ASP 24 -2.169 -11.087 -3.355 193 2HB ASP 24 1HB ASP 24 -1.028 -11.669 -2.147 194 H ALA 25 H ALA 25 -4.830 -11.966 -0.754 195 HA ALA 25 HA ALA 25 -6.607 -10.976 -2.699 196 1HB ALA 25 1HB ALA 25 -7.774 -11.959 -0.175 197 2HB ALA 25 2HB ALA 25 -6.673 -13.060 -1.003 198 3HB ALA 25 3HB ALA 25 -8.097 -12.440 -1.839 199 H ALA 26 H ALA 26 -6.060 -10.067 0.679 200 HA ALA 26 HA ALA 26 -8.175 -8.257 0.955 201 1HB ALA 26 1HB ALA 26 -5.564 -8.649 2.334 202 2HB ALA 26 2HB ALA 26 -7.206 -8.759 2.970 203 3HB ALA 26 3HB ALA 26 -6.484 -7.181 2.656 204 H VAL 27 H VAL 27 -4.961 -7.872 -0.412 205 HA VAL 27 HA VAL 27 -4.987 -5.051 -0.604 206 HB VAL 27 HB VAL 27 -3.493 -6.989 -2.377 207 1HG1 VAL 27 1HG1 VAL 27 -3.627 -4.589 -3.104 208 2HG1 VAL 27 2HG1 VAL 27 -1.994 -5.198 -2.830 209 3HG1 VAL 27 3HG1 VAL 27 -2.764 -4.166 -1.625 210 1HG2 VAL 27 1HG2 VAL 27 -2.954 -7.544 -0.125 211 2HG2 VAL 27 2HG2 VAL 27 -2.793 -5.846 0.321 212 3HG2 VAL 27 3HG2 VAL 27 -1.614 -6.589 -0.760 213 H SER 28 H SER 28 -5.701 -7.585 -3.005 214 HA SER 28 HA SER 28 -6.426 -5.811 -5.076 215 1HB SER 28 2HB SER 28 -5.955 -8.458 -4.995 216 2HB SER 28 1HB SER 28 -7.718 -8.483 -4.992 217 HG SER 28 HG SER 28 -7.749 -7.502 -6.941 218 H GLN 29 H GLN 29 -8.188 -7.170 -2.387 219 HA GLN 29 HA GLN 29 -10.800 -6.609 -3.325 220 1HB GLN 29 2HB GLN 29 -9.722 -7.915 -1.147 221 2HB GLN 29 1HB GLN 29 -10.460 -6.498 -0.420 222 1HG GLN 29 2HG GLN 29 -12.590 -7.100 -1.128 223 2HG GLN 29 1HG GLN 29 -11.970 -8.200 -2.360 224 1HE2 GLN 29 1HE2 GLN 29 -11.440 -7.803 1.128 225 2HE2 GLN 29 2HE2 GLN 29 -11.770 -9.448 1.540 226 H TRP 30 H TRP 30 -8.314 -4.607 -2.073 227 HA TRP 30 HA TRP 30 -9.663 -2.583 -0.776 228 1HB TRP 30 2HB TRP 30 -7.232 -2.539 -2.549 229 2HB TRP 30 1HB TRP 30 -7.834 -1.075 -1.783 230 HD1 TRP 30 HD TRP 30 -8.598 -3.167 0.877 231 HE1 TRP 30 1HE TRP 30 -6.660 -3.504 2.539 232 HE3 TRP 30 3HE TRP 30 -4.718 -1.627 -2.075 233 HZ2 TRP 30 2HZ TRP 30 -3.857 -3.164 2.588 234 HZ3 TRP 30 3HZ TRP 30 -2.442 -1.661 -1.145 235 HH2 TRP 30 HH TRP 30 -2.021 -2.415 1.139 236 H LYS 31 H LYS 31 -10.580 -0.618 -1.413 237 HA LYS 31 HA LYS 31 -11.790 -0.686 -4.076 238 1HB LYS 31 2HB LYS 31 -12.440 1.230 -1.843 239 2HB LYS 31 1HB LYS 31 -13.430 0.826 -3.241 240 1HG LYS 31 2HG LYS 31 -13.110 -1.610 -2.058 241 2HG LYS 31 1HG LYS 31 -13.170 -0.528 -0.666 242 1HD LYS 31 2HD LYS 31 -15.210 0.482 -2.047 243 2HD LYS 31 1HD LYS 31 -15.260 -1.173 -2.662 244 1HE LYS 31 2HE LYS 31 -15.320 -1.992 -0.327 245 2HE LYS 31 1HE LYS 31 -15.380 -0.320 0.228 246 1HZ LYS 31 1HZ LYS 31 -17.540 -1.798 -0.207 247 2HZ LYS 31 2HZ LYS 31 -17.380 -1.094 -1.736 248 3HZ LYS 31 3HZ LYS 31 -17.530 -0.113 -0.367 249 H GLU 32 H GLU 32 -12.340 2.044 -4.372 250 HA GLU 32 HA GLU 32 -10.160 2.983 -5.756 251 1HB GLU 32 2HB GLU 32 -12.660 4.147 -4.750 252 2HB GLU 32 1HB GLU 32 -11.380 5.316 -5.028 253 1HG GLU 32 2HG GLU 32 -11.130 4.339 -7.330 254 2HG GLU 32 1HG GLU 32 -12.610 3.428 -7.013 255 H VAL 33 H VAL 33 -10.850 3.218 -2.354 256 HA VAL 33 HA VAL 33 -8.289 4.619 -1.976 257 HB VAL 33 HB VAL 33 -10.690 4.956 -0.178 258 1HG1 VAL 33 1HG1 VAL 33 -9.331 6.061 1.192 259 2HG1 VAL 33 2HG1 VAL 33 -8.720 7.061 -0.126 260 3HG1 VAL 33 3HG1 VAL 33 -7.980 5.496 0.211 261 1HG2 VAL 33 1HG2 VAL 33 -9.681 7.017 -2.117 262 2HG2 VAL 33 2HG2 VAL 33 -11.190 7.000 -1.218 263 3HG2 VAL 33 3HG2 VAL 33 -10.940 5.869 -2.547 264 H ILE 34 H ILE 34 -6.920 3.776 -0.475 265 HA ILE 34 HA ILE 34 -7.404 1.126 0.449 266 HB ILE 34 HB ILE 34 -5.248 1.511 1.771 267 1HG1 ILE 34 2HG1 ILE 34 -4.991 3.943 0.013 268 2HG1 ILE 34 1HG1 ILE 34 -5.577 4.054 1.669 269 1HG2 ILE 34 1HG2 ILE 34 -5.653 0.615 -0.684 270 2HG2 ILE 34 2HG2 ILE 34 -4.030 0.843 -0.031 271 3HG2 ILE 34 3HG2 ILE 34 -4.731 2.060 -1.099 272 1HD1 ILE 34 1HD1 ILE 34 -3.454 2.939 2.388 273 2HD1 ILE 34 2HD1 ILE 34 -3.270 4.556 1.707 274 3HD1 ILE 34 3HD1 ILE 34 -2.878 3.138 0.734 275 HA PRO 35 HA PRO 35 -9.363 1.538 4.358 276 1HB PRO 35 2HB PRO 35 -7.109 -0.078 5.457 277 2HB PRO 35 1HB PRO 35 -8.852 -0.333 5.604 278 1HG PRO 35 2HG PRO 35 -7.412 -1.823 3.941 279 2HG PRO 35 1HG PRO 35 -9.027 -1.256 3.477 280 1HD PRO 35 2HD PRO 35 -6.348 -0.271 2.602 281 2HD PRO 35 1HD PRO 35 -7.858 -0.409 1.680 282 H GLU 36 H GLU 36 -8.647 1.865 6.811 283 HA GLU 36 HA GLU 36 -7.097 4.315 6.811 284 1HB GLU 36 2HB GLU 36 -9.274 4.104 8.019 285 2HB GLU 36 1HB GLU 36 -8.507 2.965 9.117 286 1HG GLU 36 2HG GLU 36 -7.121 5.535 8.808 287 2HG GLU 36 1HG GLU 36 -8.713 5.616 9.561 288 H LYS 37 H LYS 37 -7.019 1.188 8.511 289 HA LYS 37 HA LYS 37 -4.566 1.740 9.848 290 1HB LYS 37 2HB LYS 37 -5.827 -0.952 9.310 291 2HB LYS 37 1HB LYS 37 -4.622 -0.585 10.535 292 1HG LYS 37 2HG LYS 37 -6.211 0.836 11.702 293 2HG LYS 37 1HG LYS 37 -7.420 0.525 10.453 294 1HD LYS 37 2HD LYS 37 -7.067 -1.959 11.029 295 2HD LYS 37 1HD LYS 37 -6.299 -1.359 12.501 296 1HE LYS 37 2HE LYS 37 -8.620 -1.830 12.947 297 2HE LYS 37 1HE LYS 37 -8.353 -0.088 13.013 298 1HZ LYS 37 1HZ LYS 37 -9.315 -1.409 10.550 299 2HZ LYS 37 2HZ LYS 37 -9.419 0.223 10.978 300 3HZ LYS 37 3HZ LYS 37 -10.380 -0.920 11.764 301 H ASP 38 H ASP 38 -5.328 0.635 6.682 302 HA ASP 38 HA ASP 38 -2.805 -0.680 6.235 303 1HB ASP 38 2HB ASP 38 -5.237 -0.096 4.633 304 2HB ASP 38 1HB ASP 38 -3.731 -0.278 3.738 305 H ALA 39 H ALA 39 -4.292 2.400 5.294 306 HA ALA 39 HA ALA 39 -2.132 3.394 3.801 307 1HB ALA 39 1HB ALA 39 -3.973 5.154 5.386 308 2HB ALA 39 2HB ALA 39 -4.535 4.278 3.963 309 3HB ALA 39 3HB ALA 39 -3.230 5.456 3.817 310 H TYR 40 H TYR 40 -2.659 3.150 7.225 311 HA TYR 40 HA TYR 40 -0.786 5.135 8.026 312 1HB TYR 40 2HB TYR 40 -2.535 4.366 9.543 313 2HB TYR 40 1HB TYR 40 -1.866 2.732 9.516 314 HD1 TYR 40 1HD TYR 40 -0.396 2.094 11.188 315 HD2 TYR 40 2HD TYR 40 -0.900 6.237 10.367 316 HE1 TYR 40 1HE TYR 40 1.033 2.645 13.114 317 HE2 TYR 40 2HE TYR 40 0.527 6.800 12.286 318 HH TYR 40 HH TYR 40 2.587 5.053 13.623 319 H ARG 41 H ARG 41 -0.576 1.573 8.133 320 HA ARG 41 HA ARG 41 2.163 1.487 8.750 321 1HB ARG 41 2HB ARG 41 0.079 -0.420 7.977 322 2HB ARG 41 1HB ARG 41 1.685 -0.886 7.438 323 1HG ARG 41 2HG ARG 41 1.732 -1.856 9.473 324 2HG ARG 41 1HG ARG 41 2.272 -0.248 9.956 325 1HD ARG 41 2HD ARG 41 -0.200 0.277 10.328 326 2HD ARG 41 1HD ARG 41 -0.463 -1.462 10.216 327 HE ARG 41 HE ARG 41 0.656 -0.028 12.423 328 1HH1 ARG 41 1HH1 ARG 41 0.649 -3.100 10.767 329 2HH1 ARG 41 2HH1 ARG 41 1.125 -3.998 12.170 330 1HH2 ARG 41 1HH2 ARG 41 1.280 -1.208 14.270 331 2HH2 ARG 41 2HH2 ARG 41 1.482 -2.925 14.158 332 H LEU 42 H LEU 42 0.469 1.785 5.716 333 HA LEU 42 HA LEU 42 2.413 0.956 3.920 334 1HB LEU 42 2HB LEU 42 0.242 3.014 3.778 335 2HB LEU 42 1HB LEU 42 1.351 2.811 2.435 336 HG LEU 42 HG LEU 42 -0.168 0.469 3.536 337 1HD1 LEU 42 1HD1 LEU 42 -2.053 1.563 2.989 338 2HD1 LEU 42 2HD1 LEU 42 -1.588 1.146 1.340 339 3HD1 LEU 42 3HD1 LEU 42 -1.206 2.741 1.989 340 1HD2 LEU 42 1HD2 LEU 42 0.614 -0.644 1.750 341 2HD2 LEU 42 2HD2 LEU 42 1.829 0.633 1.701 342 3HD2 LEU 42 3HD2 LEU 42 0.401 0.736 0.672 343 H GLU 43 H GLU 43 2.086 4.030 5.607 344 HA GLU 43 HA GLU 43 4.088 5.421 4.176 345 1HB GLU 43 2HB GLU 43 2.395 6.559 5.540 346 2HB GLU 43 1HB GLU 43 3.088 5.856 6.996 347 1HG GLU 43 2HG GLU 43 5.248 7.039 6.325 348 2HG GLU 43 1HG GLU 43 4.248 7.950 5.195 349 H ILE 44 H ILE 44 4.239 3.057 6.693 350 HA ILE 44 HA ILE 44 6.937 3.749 7.484 351 HB ILE 44 HB ILE 44 5.381 1.282 8.235 352 1HG1 ILE 44 2HG1 ILE 44 5.231 4.100 9.200 353 2HG1 ILE 44 1HG1 ILE 44 3.959 2.891 9.069 354 1HG2 ILE 44 1HG2 ILE 44 6.977 0.878 9.825 355 2HG2 ILE 44 2HG2 ILE 44 7.431 2.577 9.959 356 3HG2 ILE 44 3HG2 ILE 44 7.973 1.626 8.576 357 1HD1 ILE 44 1HD1 ILE 44 6.094 3.001 11.183 358 2HD1 ILE 44 2HD1 ILE 44 4.843 1.764 11.052 359 3HD1 ILE 44 3HD1 ILE 44 4.396 3.440 11.381 360 H VAL 45 H VAL 45 5.342 1.022 5.843 361 HA VAL 45 HA VAL 45 7.656 -0.475 5.332 362 HB VAL 45 HB VAL 45 6.279 -1.414 3.379 363 1HG1 VAL 45 1HG1 VAL 45 6.217 -2.842 5.135 364 2HG1 VAL 45 2HG1 VAL 45 4.539 -2.304 5.209 365 3HG1 VAL 45 3HG1 VAL 45 5.742 -1.587 6.280 366 1HG2 VAL 45 1HG2 VAL 45 3.985 -0.877 3.231 367 2HG2 VAL 45 2HG2 VAL 45 4.842 0.664 3.249 368 3HG2 VAL 45 3HG2 VAL 45 4.036 0.086 4.708 369 H THR 46 H THR 46 6.120 2.114 3.515 370 HA THR 46 HA THR 46 7.866 1.850 1.256 371 HB THR 46 HB THR 46 6.753 3.957 0.525 372 HG1 THR 46 1HG THR 46 4.968 4.640 1.829 373 1HG2 THR 46 1HG2 THR 46 5.752 1.603 0.226 374 2HG2 THR 46 2HG2 THR 46 4.728 3.014 -0.045 375 3HG2 THR 46 3HG2 THR 46 4.607 2.115 1.467 376 H ALA 47 H ALA 47 8.644 2.771 4.233 377 HA ALA 47 HA ALA 47 10.349 3.975 5.130 378 1HB ALA 47 1HB ALA 47 12.041 3.452 3.751 379 2HB ALA 47 2HB ALA 47 11.836 5.098 3.151 380 3HB ALA 47 3HB ALA 47 11.085 3.748 2.299 381 H GLY 48 H GLY 48 7.769 5.194 4.493 382 1HA GLY 48 2HA GLY 48 6.889 7.288 4.944 383 2HA GLY 48 1HA GLY 48 8.523 7.930 4.983 384 H ALA 49 H ALA 49 8.005 6.169 2.156 385 HA ALA 49 HA ALA 49 8.259 8.429 0.495 386 1HB ALA 49 1HB ALA 49 7.324 6.566 -1.216 387 2HB ALA 49 2HB ALA 49 7.865 5.537 0.109 388 3HB ALA 49 3HB ALA 49 8.997 6.644 -0.666 389 H LEU 50 H LEU 50 5.470 6.532 1.513 390 HA LEU 50 HA LEU 50 3.707 8.394 0.073 391 1HB LEU 50 2HB LEU 50 3.448 5.546 0.918 392 2HB LEU 50 1HB LEU 50 1.992 6.519 0.820 393 HG LEU 50 HG LEU 50 3.924 6.025 -1.448 394 1HD1 LEU 50 1HD1 LEU 50 2.826 4.022 -1.293 395 2HD1 LEU 50 2HD1 LEU 50 1.710 4.918 -2.322 396 3HD1 LEU 50 3HD1 LEU 50 1.376 4.745 -0.599 397 1HD2 LEU 50 1HD2 LEU 50 1.619 7.842 -1.093 398 2HD2 LEU 50 2HD2 LEU 50 1.712 6.966 -2.621 399 3HD2 LEU 50 3HD2 LEU 50 3.047 8.002 -2.116 400 H LYS 51 H LYS 51 2.707 9.903 1.218 401 HA LYS 51 HA LYS 51 2.814 9.872 4.095 402 1HB LYS 51 2HB LYS 51 1.461 11.842 2.241 403 2HB LYS 51 1HB LYS 51 1.784 12.082 3.953 404 1HG LYS 51 2HG LYS 51 3.674 13.068 3.339 405 2HG LYS 51 1HG LYS 51 4.264 11.464 2.899 406 1HD LYS 51 2HD LYS 51 3.839 11.781 0.650 407 2HD LYS 51 1HD LYS 51 2.614 13.015 0.949 408 1HE LYS 51 2HE LYS 51 4.828 14.193 1.998 409 2HE LYS 51 1HE LYS 51 5.528 13.266 0.671 410 1HZ LYS 51 1HZ LYS 51 3.688 14.311 -0.725 411 2HZ LYS 51 2HZ LYS 51 4.977 15.307 -0.266 412 3HZ LYS 51 3HZ LYS 51 3.498 15.410 0.549 413 H TYR 52 H TYR 52 1.217 9.438 5.506 414 HA TYR 52 HA TYR 52 -1.247 8.308 4.431 415 1HB TYR 52 2HB TYR 52 -0.272 6.876 6.023 416 2HB TYR 52 1HB TYR 52 0.116 8.202 7.112 417 HD1 TYR 52 1HD TYR 52 -3.071 7.073 5.485 418 HD2 TYR 52 2HD TYR 52 -1.006 7.952 9.101 419 HE1 TYR 52 1HE TYR 52 -5.116 6.617 6.757 420 HE2 TYR 52 2HE TYR 52 -3.054 7.506 10.383 421 HH TYR 52 HH TYR 52 -6.094 7.254 8.966 422 H GLN 53 H GLN 53 -3.146 9.317 4.489 423 HA GLN 53 HA GLN 53 -3.390 11.714 6.185 424 1HB GLN 53 2HB GLN 53 -4.740 11.234 3.523 425 2HB GLN 53 1HB GLN 53 -4.831 12.696 4.493 426 1HG GLN 53 2HG GLN 53 -2.234 11.650 3.420 427 2HG GLN 53 1HG GLN 53 -3.277 12.724 2.490 428 1HE2 GLN 53 1HE2 GLN 53 -0.552 13.043 3.668 429 2HE2 GLN 53 2HE2 GLN 53 -0.640 14.496 4.598 430 H GLU 54 H GLU 54 -4.614 11.187 7.867 431 HA GLU 54 HA GLU 54 -6.663 9.177 7.706 432 1HB GLU 54 2HB GLU 54 -7.026 9.658 10.078 433 2HB GLU 54 1HB GLU 54 -5.318 9.422 9.729 434 1HG GLU 54 2HG GLU 54 -5.710 12.153 9.441 435 2HG GLU 54 1HG GLU 54 -6.679 11.710 10.845 436 H ASN 55 H ASN 55 -6.683 12.219 6.567 437 HA ASN 55 HA ASN 55 -8.897 13.498 7.607 438 1HB ASN 55 2HB ASN 55 -7.764 13.447 4.816 439 2HB ASN 55 1HB ASN 55 -9.139 14.460 5.245 440 1HD2 ASN 55 1HD2 ASN 55 -5.923 14.483 4.827 441 2HD2 ASN 55 2HD2 ASN 55 -5.485 15.785 5.874 442 H ALA 56 H ALA 56 -8.993 11.713 4.527 443 HA ALA 56 HA ALA 56 -11.800 11.450 4.527 444 1HB ALA 56 1HB ALA 56 -9.936 11.145 2.641 445 2HB ALA 56 2HB ALA 56 -11.550 10.446 2.509 446 3HB ALA 56 3HB ALA 56 -10.190 9.449 3.048 447 H TYR 57 H TYR 57 -9.377 9.760 6.232 448 HA TYR 57 HA TYR 57 -11.020 7.377 6.599 449 1HB TYR 57 2HB TYR 57 -8.267 8.018 7.670 450 2HB TYR 57 1HB TYR 57 -9.081 6.461 7.769 451 HD1 TYR 57 1HD TYR 57 -10.110 5.932 5.190 452 HD2 TYR 57 2HD TYR 57 -6.487 7.910 6.194 453 HE1 TYR 57 1HE TYR 57 -9.176 5.290 3.014 454 HE2 TYR 57 2HE TYR 57 -5.534 7.274 4.019 455 HH TYR 57 HH TYR 57 -7.160 5.059 1.879 456 H ARG 58 H ARG 58 -11.570 10.159 7.740 457 HA ARG 58 HA ARG 58 -11.360 9.722 10.596 458 1HB ARG 58 2HB ARG 58 -11.110 11.980 9.429 459 2HB ARG 58 1HB ARG 58 -12.850 11.951 9.222 460 1HG ARG 58 2HG ARG 58 -12.420 11.381 11.921 461 2HG ARG 58 1HG ARG 58 -11.290 12.675 11.526 462 1HD ARG 58 2HD ARG 58 -14.010 13.006 10.457 463 2HD ARG 58 1HD ARG 58 -13.880 13.069 12.214 464 HE ARG 58 HE ARG 58 -11.960 14.710 10.847 465 1HH1 ARG 58 1HH1 ARG 58 -15.200 14.567 12.129 466 2HH1 ARG 58 2HH1 ARG 58 -15.330 16.284 12.316 467 1HH2 ARG 58 1HH2 ARG 58 -12.130 16.967 11.093 468 2HH2 ARG 58 2HH2 ARG 58 -13.590 17.646 11.727 469 H GLN 59 H GLN 59 -13.760 9.516 8.070 470 HA GLN 59 HA GLN 59 -15.560 8.152 9.900 471 1HB GLN 59 2HB GLN 59 -16.030 10.854 8.870 472 2HB GLN 59 1HB GLN 59 -17.350 9.742 8.545 473 1HG GLN 59 2HG GLN 59 -18.080 10.050 10.604 474 2HG GLN 59 1HG GLN 59 -16.600 9.324 11.220 475 1HE2 GLN 59 1HE2 GLN 59 -16.910 10.744 13.040 476 2HE2 GLN 59 2HE2 GLN 59 -16.370 12.385 12.943 477 H ALA 60 H ALA 60 -16.050 6.318 8.912 478 HA ALA 60 HA ALA 60 -15.970 6.165 6.001 479 1HB ALA 60 1HB ALA 60 -16.450 3.650 6.654 480 2HB ALA 60 2HB ALA 60 -15.850 4.191 8.221 481 3HB ALA 60 3HB ALA 60 -14.840 4.347 6.785 482 H ALA 61 H ALA 61 -18.150 4.783 8.467 483 HA ALA 61 HA ALA 61 -20.450 5.700 6.895 484 1HB ALA 61 1HB ALA 61 -20.220 2.864 7.885 485 2HB ALA 61 2HB ALA 61 -19.890 3.361 6.226 486 3HB ALA 61 3HB ALA 61 -21.500 3.557 6.895 Start of MODEL 4 1 1H MET 1 1HT MET 1 -6.353 8.447 0.640 2 2H MET 1 2HT MET 1 -4.765 8.625 1.265 3 3H MET 1 3HT MET 1 -5.480 7.068 1.164 4 HA MET 1 HA MET 1 -4.996 8.766 -1.179 5 1HB MET 1 2HB MET 1 -2.995 7.216 -1.479 6 2HB MET 1 1HB MET 1 -2.847 8.460 -0.246 7 1HG MET 1 2HG MET 1 -3.914 5.902 0.707 8 2HG MET 1 1HG MET 1 -2.256 5.843 0.113 9 1HE MET 1 1HE MET 1 -0.625 5.766 2.655 10 2HE MET 1 2HE MET 1 -0.114 7.445 2.470 11 3HE MET 1 3HE MET 1 -0.426 6.454 1.044 12 H TYR 2 H TYR 2 -5.038 7.519 -3.139 13 HA TYR 2 HA TYR 2 -7.057 5.453 -3.062 14 1HB TYR 2 2HB TYR 2 -5.737 7.080 -5.180 15 2HB TYR 2 1HB TYR 2 -6.444 5.539 -5.654 16 HD1 TYR 2 1HD TYR 2 -8.299 6.201 -6.926 17 HD2 TYR 2 2HD TYR 2 -7.688 7.917 -3.082 18 HE1 TYR 2 1HE TYR 2 -10.510 7.253 -7.051 19 HE2 TYR 2 2HE TYR 2 -9.905 8.975 -3.195 20 HH TYR 2 HH TYR 2 -11.530 9.662 -4.847 21 H LYS 3 H LYS 3 -6.802 3.403 -4.199 22 HA LYS 3 HA LYS 3 -4.514 1.993 -3.331 23 1HB LYS 3 2HB LYS 3 -6.861 1.081 -3.752 24 2HB LYS 3 1HB LYS 3 -6.430 1.049 -5.457 25 1HG LYS 3 2HG LYS 3 -4.349 -0.226 -4.019 26 2HG LYS 3 1HG LYS 3 -5.887 -0.876 -3.444 27 1HD LYS 3 2HD LYS 3 -5.508 -0.572 -6.377 28 2HD LYS 3 1HD LYS 3 -4.644 -1.876 -5.563 29 1HE LYS 3 2HE LYS 3 -6.506 -3.084 -5.304 30 2HE LYS 3 1HE LYS 3 -7.427 -1.691 -4.739 31 1HZ LYS 3 1HZ LYS 3 -6.861 -2.360 -7.578 32 2HZ LYS 3 2HZ LYS 3 -7.731 -1.012 -7.043 33 3HZ LYS 3 3HZ LYS 3 -8.342 -2.568 -6.788 34 H LYS 4 H LYS 4 -5.411 3.450 -6.388 35 HA LYS 4 HA LYS 4 -3.642 2.259 -8.135 36 1HB LYS 4 2HB LYS 4 -5.350 3.870 -8.831 37 2HB LYS 4 1HB LYS 4 -4.463 5.168 -8.043 38 1HG LYS 4 2HG LYS 4 -2.820 3.707 -9.938 39 2HG LYS 4 1HG LYS 4 -4.258 4.407 -10.686 40 1HD LYS 4 2HD LYS 4 -2.351 5.948 -8.932 41 2HD LYS 4 1HD LYS 4 -2.248 5.899 -10.693 42 1HE LYS 4 2HE LYS 4 -4.803 6.593 -10.472 43 2HE LYS 4 1HE LYS 4 -4.231 7.238 -8.934 44 1HZ LYS 4 1HZ LYS 4 -4.138 8.589 -11.219 45 2HZ LYS 4 2HZ LYS 4 -2.607 7.871 -11.256 46 3HZ LYS 4 3HZ LYS 4 -3.052 8.846 -9.947 47 H ASP 5 H ASP 5 -3.041 5.010 -5.969 48 HA ASP 5 HA ASP 5 -0.414 5.543 -6.795 49 1HB ASP 5 2HB ASP 5 -1.977 6.915 -5.248 50 2HB ASP 5 1HB ASP 5 -1.329 5.913 -3.953 51 H VAL 6 H VAL 6 -1.573 3.600 -4.037 52 HA VAL 6 HA VAL 6 0.889 2.738 -3.109 53 HB VAL 6 HB VAL 6 -1.534 0.963 -3.061 54 1HG1 VAL 6 1HG1 VAL 6 0.504 0.116 -2.076 55 2HG1 VAL 6 2HG1 VAL 6 -0.686 0.450 -0.820 56 3HG1 VAL 6 3HG1 VAL 6 0.651 1.567 -1.089 57 1HG2 VAL 6 1HG2 VAL 6 -1.206 3.640 -1.818 58 2HG2 VAL 6 2HG2 VAL 6 -1.935 2.367 -0.839 59 3HG2 VAL 6 3HG2 VAL 6 -2.665 2.822 -2.378 60 H ILE 7 H ILE 7 -1.310 1.171 -5.424 61 HA ILE 7 HA ILE 7 0.246 -1.096 -5.934 62 HB ILE 7 HB ILE 7 -1.708 0.345 -7.731 63 1HG1 ILE 7 2HG1 ILE 7 -2.746 -0.481 -5.708 64 2HG1 ILE 7 1HG1 ILE 7 -3.224 -1.515 -7.050 65 1HG2 ILE 7 1HG2 ILE 7 -0.232 -0.998 -9.094 66 2HG2 ILE 7 2HG2 ILE 7 -1.823 -1.754 -9.010 67 3HG2 ILE 7 3HG2 ILE 7 -0.489 -2.394 -8.047 68 1HD1 ILE 7 1HD1 ILE 7 -1.495 -3.137 -6.351 69 2HD1 ILE 7 2HD1 ILE 7 -2.747 -2.866 -5.137 70 3HD1 ILE 7 3HD1 ILE 7 -1.160 -2.120 -4.951 71 H ASP 8 H ASP 8 0.450 2.164 -7.171 72 HA ASP 8 HA ASP 8 2.242 1.523 -9.317 73 1HB ASP 8 2HB ASP 8 0.706 3.755 -8.553 74 2HB ASP 8 1HB ASP 8 2.383 4.288 -8.493 75 H HIS 9 H HIS 9 2.523 2.263 -5.952 76 HA HIS 9 HA HIS 9 5.324 2.935 -6.102 77 1HB HIS 9 2HB HIS 9 4.023 4.057 -4.412 78 2HB HIS 9 1HB HIS 9 3.449 2.523 -3.769 79 HD1 HIS 9 1HD HIS 9 6.127 4.988 -3.425 80 HD2 HIS 9 2HD HIS 9 5.525 1.002 -2.418 81 HE1 HIS 9 1HE HIS 9 7.897 4.450 -1.723 82 HE2 HIS 9 2HE HIS 9 7.573 2.008 -1.200 83 H PHE 10 H PHE 10 3.330 0.165 -5.391 84 HA PHE 10 HA PHE 10 5.630 -1.408 -4.531 85 1HB PHE 10 2HB PHE 10 2.664 -1.845 -4.505 86 2HB PHE 10 1HB PHE 10 3.765 -3.204 -4.316 87 HD1 PHE 10 1HD PHE 10 5.240 -3.343 -2.378 88 HD2 PHE 10 2HD PHE 10 2.368 -0.234 -2.769 89 HE1 PHE 10 1HE PHE 10 5.476 -2.831 0.020 90 HE2 PHE 10 2HE PHE 10 2.594 0.288 -0.376 91 HZ PHE 10 HZ PHE 10 4.151 -1.013 1.023 92 H GLY 11 H GLY 11 3.229 -1.288 -7.126 93 1HA GLY 11 2HA GLY 11 3.716 -1.875 -9.370 94 2HA GLY 11 1HA GLY 11 5.055 -2.858 -8.796 95 H THR 12 H THR 12 3.481 -4.184 -6.741 96 HA THR 12 HA THR 12 1.434 -5.624 -8.229 97 HB THR 12 HB THR 12 2.531 -7.816 -7.422 98 HG1 THR 12 1HG THR 12 4.760 -6.066 -7.338 99 1HG2 THR 12 1HG2 THR 12 3.399 -8.184 -9.464 100 2HG2 THR 12 2HG2 THR 12 4.313 -6.675 -9.470 101 3HG2 THR 12 3HG2 THR 12 2.587 -6.661 -9.828 102 H GLN 13 H GLN 13 -0.044 -6.723 -6.914 103 HA GLN 13 HA GLN 13 -0.577 -5.610 -4.420 104 1HB GLN 13 2HB GLN 13 -1.500 -8.255 -5.556 105 2HB GLN 13 1HB GLN 13 -2.198 -7.472 -4.144 106 1HG GLN 13 2HG GLN 13 -3.347 -5.981 -5.369 107 2HG GLN 13 1HG GLN 13 -2.069 -5.820 -6.572 108 1HE2 GLN 13 1HE2 GLN 13 -4.807 -7.728 -5.540 109 2HE2 GLN 13 2HE2 GLN 13 -5.070 -8.525 -7.049 110 H ARG 14 H ARG 14 0.803 -8.801 -5.183 111 HA ARG 14 HA ARG 14 1.116 -9.893 -2.715 112 1HB ARG 14 2HB ARG 14 2.603 -10.066 -5.255 113 2HB ARG 14 1HB ARG 14 3.492 -10.601 -3.835 114 1HG ARG 14 2HG ARG 14 1.893 -12.272 -3.346 115 2HG ARG 14 1HG ARG 14 0.742 -11.606 -4.506 116 1HD ARG 14 2HD ARG 14 3.432 -12.551 -5.414 117 2HD ARG 14 1HD ARG 14 2.130 -13.704 -5.141 118 HE ARG 14 HE ARG 14 0.980 -12.823 -6.962 119 1HH1 ARG 14 1HH1 ARG 14 3.924 -11.032 -6.371 120 2HH1 ARG 14 2HH1 ARG 14 3.892 -10.240 -7.909 121 1HH2 ARG 14 1HH2 ARG 14 0.945 -11.777 -8.979 122 2HH2 ARG 14 2HH2 ARG 14 2.203 -10.661 -9.388 123 H ALA 15 H ALA 15 3.231 -7.463 -4.193 124 HA ALA 15 HA ALA 15 5.214 -7.408 -2.221 125 1HB ALA 15 1HB ALA 15 4.516 -4.834 -3.485 126 2HB ALA 15 2HB ALA 15 4.901 -6.162 -4.579 127 3HB ALA 15 3HB ALA 15 6.072 -5.655 -3.362 128 H VAL 16 H VAL 16 2.305 -5.386 -2.557 129 HA VAL 16 HA VAL 16 2.645 -3.842 -0.271 130 HB VAL 16 HB VAL 16 -0.131 -4.626 -1.003 131 1HG1 VAL 16 1HG1 VAL 16 0.078 -2.919 0.597 132 2HG1 VAL 16 2HG1 VAL 16 -0.337 -2.105 -0.911 133 3HG1 VAL 16 3HG1 VAL 16 1.328 -2.097 -0.333 134 1HG2 VAL 16 1HG2 VAL 16 0.601 -4.562 -3.211 135 2HG2 VAL 16 2HG2 VAL 16 1.799 -3.310 -2.881 136 3HG2 VAL 16 3HG2 VAL 16 0.085 -2.899 -2.923 137 H ALA 17 H ALA 17 0.897 -6.909 -0.693 138 HA ALA 17 HA ALA 17 -0.113 -7.158 1.890 139 1HB ALA 17 1HB ALA 17 -0.083 -9.639 1.398 140 2HB ALA 17 2HB ALA 17 0.686 -9.233 -0.135 141 3HB ALA 17 3HB ALA 17 -0.929 -8.627 0.228 142 H LYS 18 H LYS 18 3.035 -8.080 0.579 143 HA LYS 18 HA LYS 18 3.936 -9.364 2.961 144 1HB LYS 18 2HB LYS 18 4.999 -8.763 0.314 145 2HB LYS 18 1HB LYS 18 6.210 -8.577 1.573 146 1HG LYS 18 2HG LYS 18 6.502 -10.766 1.619 147 2HG LYS 18 1HG LYS 18 4.813 -10.986 2.083 148 1HD LYS 18 2HD LYS 18 4.499 -10.560 -0.545 149 2HD LYS 18 1HD LYS 18 6.115 -11.267 -0.559 150 1HE LYS 18 2HE LYS 18 4.446 -13.001 -0.837 151 2HE LYS 18 1HE LYS 18 5.262 -13.190 0.713 152 1HZ LYS 18 1HZ LYS 18 2.828 -11.596 0.719 153 2HZ LYS 18 2HZ LYS 18 3.394 -12.711 1.857 154 3HZ LYS 18 3HZ LYS 18 2.632 -13.254 0.448 155 H ALA 19 H ALA 19 3.932 -6.087 1.787 156 HA ALA 19 HA ALA 19 5.911 -5.107 3.608 157 1HB ALA 19 1HB ALA 19 4.040 -3.105 2.647 158 2HB ALA 19 2HB ALA 19 4.662 -4.123 1.347 159 3HB ALA 19 3HB ALA 19 5.780 -3.244 2.391 160 H LEU 20 H LEU 20 2.359 -4.796 3.460 161 HA LEU 20 HA LEU 20 2.245 -3.645 6.098 162 1HB LEU 20 2HB LEU 20 -0.129 -4.732 4.627 163 2HB LEU 20 1HB LEU 20 -0.052 -3.386 5.746 164 HG LEU 20 HG LEU 20 1.047 -3.399 2.934 165 1HD1 LEU 20 1HD1 LEU 20 -0.769 -1.580 2.733 166 2HD1 LEU 20 2HD1 LEU 20 -1.465 -2.334 4.167 167 3HD1 LEU 20 3HD1 LEU 20 -1.259 -3.274 2.690 168 1HD2 LEU 20 1HD2 LEU 20 2.081 -1.957 4.920 169 2HD2 LEU 20 2HD2 LEU 20 0.722 -0.912 4.511 170 3HD2 LEU 20 3HD2 LEU 20 1.915 -1.330 3.281 171 H GLY 21 H GLY 21 1.723 -6.793 4.642 172 1HA GLY 21 2HA GLY 21 1.913 -8.845 5.761 173 2HA GLY 21 1HA GLY 21 1.778 -7.995 7.294 174 H ILE 22 H ILE 22 -0.332 -8.071 4.430 175 HA ILE 22 HA ILE 22 -2.528 -8.892 6.212 176 HB ILE 22 HB ILE 22 -3.895 -7.981 4.103 177 1HG1 ILE 22 2HG1 ILE 22 -1.420 -6.238 4.162 178 2HG1 ILE 22 1HG1 ILE 22 -1.833 -7.354 2.865 179 1HG2 ILE 22 1HG2 ILE 22 -4.604 -6.968 5.963 180 2HG2 ILE 22 2HG2 ILE 22 -3.565 -5.645 5.437 181 3HG2 ILE 22 3HG2 ILE 22 -2.976 -6.810 6.622 182 1HD1 ILE 22 1HD1 ILE 22 -3.689 -6.063 2.215 183 2HD1 ILE 22 2HD1 ILE 22 -2.372 -4.921 2.481 184 3HD1 ILE 22 3HD1 ILE 22 -3.638 -5.107 3.695 185 H SER 23 H SER 23 -2.867 -8.911 2.742 186 HA SER 23 HA SER 23 -2.130 -11.567 2.222 187 1HB SER 23 2HB SER 23 -4.881 -11.136 3.270 188 2HB SER 23 1HB SER 23 -4.706 -12.238 1.904 189 HG SER 23 HG SER 23 -4.510 -13.314 3.918 190 H ASP 24 H ASP 24 -2.663 -12.235 0.068 191 HA ASP 24 HA ASP 24 -2.635 -10.171 -1.814 192 1HB ASP 24 2HB ASP 24 -2.705 -13.086 -1.851 193 2HB ASP 24 1HB ASP 24 -3.573 -12.377 -3.209 194 H ALA 25 H ALA 25 -5.271 -11.605 -0.150 195 HA ALA 25 HA ALA 25 -7.267 -10.929 -2.117 196 1HB ALA 25 1HB ALA 25 -7.230 -12.242 0.526 197 2HB ALA 25 2HB ALA 25 -8.088 -12.683 -0.950 198 3HB ALA 25 3HB ALA 25 -8.719 -11.404 0.088 199 H ALA 26 H ALA 26 -6.247 -9.672 1.044 200 HA ALA 26 HA ALA 26 -8.137 -7.637 1.299 201 1HB ALA 26 1HB ALA 26 -6.895 -6.880 3.072 202 2HB ALA 26 2HB ALA 26 -5.355 -7.193 2.272 203 3HB ALA 26 3HB ALA 26 -6.292 -8.531 2.936 204 H VAL 27 H VAL 27 -4.939 -7.594 -0.235 205 HA VAL 27 HA VAL 27 -4.945 -4.853 -0.908 206 HB VAL 27 HB VAL 27 -3.504 -7.093 -2.333 207 1HG1 VAL 27 1HG1 VAL 27 -3.530 -5.040 -3.621 208 2HG1 VAL 27 2HG1 VAL 27 -1.914 -5.326 -2.972 209 3HG1 VAL 27 3HG1 VAL 27 -2.966 -4.127 -2.220 210 1HG2 VAL 27 1HG2 VAL 27 -2.688 -7.337 -0.206 211 2HG2 VAL 27 2HG2 VAL 27 -2.955 -5.643 0.209 212 3HG2 VAL 27 3HG2 VAL 27 -1.595 -6.096 -0.818 213 H SER 28 H SER 28 -5.933 -7.744 -2.706 214 HA SER 28 HA SER 28 -6.586 -6.357 -5.095 215 1HB SER 28 2HB SER 28 -6.207 -8.945 -4.576 216 2HB SER 28 1HB SER 28 -7.963 -8.916 -4.433 217 HG SER 28 HG SER 28 -7.950 -9.016 -6.525 218 H GLN 29 H GLN 29 -8.310 -7.054 -2.149 219 HA GLN 29 HA GLN 29 -10.890 -6.381 -3.228 220 1HB GLN 29 2HB GLN 29 -9.891 -6.958 -0.447 221 2HB GLN 29 1HB GLN 29 -11.540 -6.447 -0.755 222 1HG GLN 29 2HG GLN 29 -11.980 -8.391 -2.051 223 2HG GLN 29 1HG GLN 29 -10.280 -8.853 -2.043 224 1HE2 GLN 29 1HE2 GLN 29 -11.420 -10.873 -1.281 225 2HE2 GLN 29 2HE2 GLN 29 -11.610 -11.060 0.426 226 H TRP 30 H TRP 30 -8.240 -4.587 -2.175 227 HA TRP 30 HA TRP 30 -9.330 -2.461 -0.776 228 1HB TRP 30 2HB TRP 30 -7.008 -2.684 -2.664 229 2HB TRP 30 1HB TRP 30 -7.459 -1.118 -2.002 230 HD1 TRP 30 HD TRP 30 -8.241 -3.238 0.751 231 HE1 TRP 30 1HE TRP 30 -6.284 -3.474 2.404 232 HE3 TRP 30 3HE TRP 30 -4.452 -1.507 -2.217 233 HZ2 TRP 30 2HZ TRP 30 -3.503 -2.992 2.447 234 HZ3 TRP 30 3HZ TRP 30 -2.175 -1.426 -1.292 235 HH2 TRP 30 HH TRP 30 -1.712 -2.152 0.992 236 H LYS 31 H LYS 31 -10.690 -0.869 -1.255 237 HA LYS 31 HA LYS 31 -11.780 -0.695 -3.925 238 1HB LYS 31 2HB LYS 31 -12.640 -0.019 -1.259 239 2HB LYS 31 1HB LYS 31 -12.850 1.367 -2.321 240 1HG LYS 31 2HG LYS 31 -14.160 0.006 -3.855 241 2HG LYS 31 1HG LYS 31 -13.930 -1.402 -2.817 242 1HD LYS 31 2HD LYS 31 -15.300 -0.557 -1.147 243 2HD LYS 31 1HD LYS 31 -15.120 1.108 -1.708 244 1HE LYS 31 2HE LYS 31 -16.370 -0.783 -3.605 245 2HE LYS 31 1HE LYS 31 -17.310 -0.403 -2.163 246 1HZ LYS 31 1HZ LYS 31 -16.430 1.385 -4.328 247 2HZ LYS 31 2HZ LYS 31 -16.710 2.023 -2.788 248 3HZ LYS 31 3HZ LYS 31 -17.960 1.233 -3.617 249 H GLU 32 H GLU 32 -12.440 1.979 -4.132 250 HA GLU 32 HA GLU 32 -10.310 3.096 -5.448 251 1HB GLU 32 2HB GLU 32 -12.920 3.947 -4.609 252 2HB GLU 32 1HB GLU 32 -11.780 5.269 -4.404 253 1HG GLU 32 2HG GLU 32 -11.570 5.589 -6.604 254 2HG GLU 32 1HG GLU 32 -11.530 3.861 -6.952 255 H VAL 33 H VAL 33 -10.970 3.105 -2.034 256 HA VAL 33 HA VAL 33 -8.499 4.647 -1.608 257 HB VAL 33 HB VAL 33 -10.860 4.756 0.253 258 1HG1 VAL 33 1HG1 VAL 33 -8.780 6.856 0.109 259 2HG1 VAL 33 2HG1 VAL 33 -8.343 5.315 0.844 260 3HG1 VAL 33 3HG1 VAL 33 -9.687 6.254 1.495 261 1HG2 VAL 33 1HG2 VAL 33 -11.830 5.908 -1.452 262 2HG2 VAL 33 2HG2 VAL 33 -10.280 6.312 -2.197 263 3HG2 VAL 33 3HG2 VAL 33 -10.840 7.214 -0.791 264 H ILE 34 H ILE 34 -7.045 3.751 -0.265 265 HA ILE 34 HA ILE 34 -7.380 1.067 0.594 266 HB ILE 34 HB ILE 34 -5.195 1.404 1.764 267 1HG1 ILE 34 2HG1 ILE 34 -5.308 4.162 0.526 268 2HG1 ILE 34 1HG1 ILE 34 -5.560 3.835 2.238 269 1HG2 ILE 34 1HG2 ILE 34 -3.891 1.651 -0.284 270 2HG2 ILE 34 2HG2 ILE 34 -5.308 2.292 -1.113 271 3HG2 ILE 34 3HG2 ILE 34 -5.302 0.625 -0.541 272 1HD1 ILE 34 1HD1 ILE 34 -3.052 3.512 0.630 273 2HD1 ILE 34 2HD1 ILE 34 -3.257 2.780 2.220 274 3HD1 ILE 34 3HD1 ILE 34 -3.335 4.533 2.039 275 HA PRO 35 HA PRO 35 -9.219 1.284 4.586 276 1HB PRO 35 2HB PRO 35 -6.908 -0.346 5.534 277 2HB PRO 35 1HB PRO 35 -8.643 -0.638 5.716 278 1HG PRO 35 2HG PRO 35 -7.225 -2.024 3.945 279 2HG PRO 35 1HG PRO 35 -8.862 -1.465 3.555 280 1HD PRO 35 2HD PRO 35 -6.226 -0.384 2.659 281 2HD PRO 35 1HD PRO 35 -7.754 -0.519 1.765 282 H GLU 36 H GLU 36 -8.846 2.025 6.790 283 HA GLU 36 HA GLU 36 -7.162 4.304 6.883 284 1HB GLU 36 2HB GLU 36 -9.282 4.191 8.104 285 2HB GLU 36 1HB GLU 36 -8.646 2.895 9.109 286 1HG GLU 36 2HG GLU 36 -6.949 4.427 9.991 287 2HG GLU 36 1HG GLU 36 -7.622 5.725 9.002 288 H LYS 37 H LYS 37 -6.983 1.112 8.426 289 HA LYS 37 HA LYS 37 -4.532 1.714 9.786 290 1HB LYS 37 2HB LYS 37 -6.319 -0.638 9.515 291 2HB LYS 37 1HB LYS 37 -4.637 -0.971 9.904 292 1HG LYS 37 2HG LYS 37 -4.830 0.579 11.831 293 2HG LYS 37 1HG LYS 37 -6.549 0.747 11.471 294 1HD LYS 37 2HD LYS 37 -6.249 -0.897 13.215 295 2HD LYS 37 1HD LYS 37 -6.807 -1.697 11.744 296 1HE LYS 37 2HE LYS 37 -4.972 -2.895 12.945 297 2HE LYS 37 1HE LYS 37 -4.614 -2.503 11.263 298 1HZ LYS 37 1HZ LYS 37 -2.817 -2.055 12.980 299 2HZ LYS 37 2HZ LYS 37 -3.759 -0.740 13.475 300 3HZ LYS 37 3HZ LYS 37 -3.167 -0.806 11.892 301 H ASP 38 H ASP 38 -5.336 0.646 6.628 302 HA ASP 38 HA ASP 38 -2.832 -0.684 6.125 303 1HB ASP 38 2HB ASP 38 -5.074 0.205 4.302 304 2HB ASP 38 1HB ASP 38 -3.633 -0.631 3.730 305 H ALA 39 H ALA 39 -4.304 2.429 5.290 306 HA ALA 39 HA ALA 39 -2.187 3.437 3.751 307 1HB ALA 39 1HB ALA 39 -3.181 5.629 4.127 308 2HB ALA 39 2HB ALA 39 -4.170 4.969 5.429 309 3HB ALA 39 3HB ALA 39 -4.424 4.430 3.771 310 H TYR 40 H TYR 40 -2.597 3.124 7.189 311 HA TYR 40 HA TYR 40 -0.676 5.068 7.970 312 1HB TYR 40 2HB TYR 40 -2.347 4.299 9.548 313 2HB TYR 40 1HB TYR 40 -1.756 2.640 9.420 314 HD1 TYR 40 1HD TYR 40 -0.566 1.915 11.246 315 HD2 TYR 40 2HD TYR 40 -0.274 6.010 10.129 316 HE1 TYR 40 1HE TYR 40 0.969 2.313 13.126 317 HE2 TYR 40 2HE TYR 40 1.262 6.418 12.005 318 HH TYR 40 HH TYR 40 2.832 4.042 13.648 319 H ARG 41 H ARG 41 -0.498 1.507 7.826 320 HA ARG 41 HA ARG 41 2.201 1.266 8.475 321 1HB ARG 41 2HB ARG 41 0.771 -0.579 6.570 322 2HB ARG 41 1HB ARG 41 2.067 -0.969 7.692 323 1HG ARG 41 2HG ARG 41 0.016 0.044 9.283 324 2HG ARG 41 1HG ARG 41 -0.783 -0.988 8.095 325 1HD ARG 41 2HD ARG 41 -0.189 -2.273 10.063 326 2HD ARG 41 1HD ARG 41 0.746 -2.818 8.676 327 HE ARG 41 HE ARG 41 1.754 -1.298 10.971 328 1HH1 ARG 41 1HH1 ARG 41 2.396 -2.992 7.978 329 2HH1 ARG 41 2HH1 ARG 41 4.100 -3.090 8.262 330 1HH2 ARG 41 1HH2 ARG 41 3.992 -1.429 11.331 331 2HH2 ARG 41 2HH2 ARG 41 5.006 -2.204 10.160 332 H LEU 42 H LEU 42 0.677 2.130 5.466 333 HA LEU 42 HA LEU 42 2.601 1.530 3.596 334 1HB LEU 42 2HB LEU 42 0.719 3.857 3.837 335 2HB LEU 42 1HB LEU 42 1.814 3.716 2.475 336 HG LEU 42 HG LEU 42 -0.370 1.776 3.233 337 1HD1 LEU 42 1HD1 LEU 42 -0.033 3.520 0.798 338 2HD1 LEU 42 2HD1 LEU 42 -1.102 3.872 2.157 339 3HD1 LEU 42 3HD1 LEU 42 -1.390 2.450 1.153 340 1HD2 LEU 42 1HD2 LEU 42 0.290 0.713 1.023 341 2HD2 LEU 42 2HD2 LEU 42 1.368 0.432 2.390 342 3HD2 LEU 42 3HD2 LEU 42 1.798 1.618 1.158 343 H GLU 43 H GLU 43 2.428 4.447 5.620 344 HA GLU 43 HA GLU 43 4.692 5.731 4.613 345 1HB GLU 43 2HB GLU 43 2.920 6.686 6.154 346 2HB GLU 43 1HB GLU 43 3.755 5.882 7.476 347 1HG GLU 43 2HG GLU 43 5.833 7.161 6.603 348 2HG GLU 43 1HG GLU 43 4.644 8.187 5.804 349 H ILE 44 H ILE 44 4.445 2.956 6.624 350 HA ILE 44 HA ILE 44 7.153 3.229 7.656 351 HB ILE 44 HB ILE 44 5.263 0.910 8.019 352 1HG1 ILE 44 2HG1 ILE 44 5.435 3.570 9.348 353 2HG1 ILE 44 1HG1 ILE 44 4.029 2.557 9.043 354 1HG2 ILE 44 1HG2 ILE 44 7.627 0.432 8.460 355 2HG2 ILE 44 2HG2 ILE 44 6.666 0.382 9.938 356 3HG2 ILE 44 3HG2 ILE 44 7.684 1.781 9.597 357 1HD1 ILE 44 1HD1 ILE 44 6.083 2.182 11.205 358 2HD1 ILE 44 2HD1 ILE 44 4.750 1.075 10.876 359 3HD1 ILE 44 3HD1 ILE 44 4.416 2.724 11.404 360 H VAL 45 H VAL 45 5.322 0.977 5.598 361 HA VAL 45 HA VAL 45 7.535 -0.655 4.948 362 HB VAL 45 HB VAL 45 6.089 -1.380 2.991 363 1HG1 VAL 45 1HG1 VAL 45 4.247 -2.197 4.767 364 2HG1 VAL 45 2HG1 VAL 45 5.515 -1.661 5.869 365 3HG1 VAL 45 3HG1 VAL 45 5.864 -2.890 4.654 366 1HG2 VAL 45 1HG2 VAL 45 3.787 -0.694 2.946 367 2HG2 VAL 45 2HG2 VAL 45 4.809 0.738 2.836 368 3HG2 VAL 45 3HG2 VAL 45 4.021 0.333 4.360 369 H THR 46 H THR 46 6.057 2.129 3.359 370 HA THR 46 HA THR 46 7.802 1.998 1.087 371 HB THR 46 HB THR 46 6.690 4.021 0.380 372 HG1 THR 46 1HG THR 46 5.750 4.090 3.038 373 1HG2 THR 46 1HG2 THR 46 4.865 2.925 -0.201 374 2HG2 THR 46 2HG2 THR 46 4.257 2.979 1.453 375 3HG2 THR 46 3HG2 THR 46 5.309 1.660 0.943 376 H ALA 47 H ALA 47 8.461 2.798 4.181 377 HA ALA 47 HA ALA 47 10.176 3.902 5.187 378 1HB ALA 47 1HB ALA 47 11.412 4.866 2.691 379 2HB ALA 47 2HB ALA 47 11.235 3.117 2.838 380 3HB ALA 47 3HB ALA 47 12.127 4.018 4.062 381 H GLY 48 H GLY 48 7.690 5.246 4.450 382 1HA GLY 48 2HA GLY 48 6.921 7.384 4.951 383 2HA GLY 48 1HA GLY 48 8.580 7.955 4.956 384 H ALA 49 H ALA 49 7.345 6.147 2.253 385 HA ALA 49 HA ALA 49 7.816 8.418 0.517 386 1HB ALA 49 1HB ALA 49 6.726 5.826 -0.478 387 2HB ALA 49 2HB ALA 49 8.388 5.895 0.106 388 3HB ALA 49 3HB ALA 49 7.880 6.927 -1.231 389 H LEU 50 H LEU 50 5.099 6.457 1.611 390 HA LEU 50 HA LEU 50 3.246 8.130 0.078 391 1HB LEU 50 2HB LEU 50 2.994 5.478 1.459 392 2HB LEU 50 1HB LEU 50 1.566 6.403 1.035 393 HG LEU 50 HG LEU 50 3.657 5.568 -0.973 394 1HD1 LEU 50 1HD1 LEU 50 1.020 4.245 -0.921 395 2HD1 LEU 50 2HD1 LEU 50 2.157 3.784 0.348 396 3HD1 LEU 50 3HD1 LEU 50 2.606 3.605 -1.348 397 1HD2 LEU 50 1HD2 LEU 50 0.860 6.131 -1.724 398 2HD2 LEU 50 2HD2 LEU 50 2.363 6.514 -2.563 399 3HD2 LEU 50 3HD2 LEU 50 1.825 7.516 -1.215 400 H LYS 51 H LYS 51 2.194 9.745 1.020 401 HA LYS 51 HA LYS 51 2.452 10.191 3.852 402 1HB LYS 51 2HB LYS 51 2.343 11.889 1.790 403 2HB LYS 51 1HB LYS 51 0.633 11.870 2.203 404 1HG LYS 51 2HG LYS 51 1.623 13.693 3.349 405 2HG LYS 51 1HG LYS 51 1.280 12.445 4.550 406 1HD LYS 51 2HD LYS 51 3.787 11.751 3.874 407 2HD LYS 51 1HD LYS 51 3.868 13.489 3.575 408 1HE LYS 51 2HE LYS 51 2.970 13.861 5.865 409 2HE LYS 51 1HE LYS 51 3.075 12.123 6.143 410 1HZ LYS 51 1HZ LYS 51 5.000 13.649 6.889 411 2HZ LYS 51 2HZ LYS 51 5.455 13.611 5.262 412 3HZ LYS 51 3HZ LYS 51 5.362 12.173 6.145 413 H TYR 52 H TYR 52 1.104 9.479 5.351 414 HA TYR 52 HA TYR 52 -1.502 8.432 4.557 415 1HB TYR 52 2HB TYR 52 -0.250 6.925 5.915 416 2HB TYR 52 1HB TYR 52 0.145 8.186 7.076 417 HD1 TYR 52 1HD TYR 52 -0.793 7.641 9.110 418 HD2 TYR 52 2HD TYR 52 -3.109 7.084 5.583 419 HE1 TYR 52 1HE TYR 52 -2.722 6.984 10.485 420 HE2 TYR 52 2HE TYR 52 -5.038 6.424 6.948 421 HH TYR 52 HH TYR 52 -5.478 5.505 9.199 422 H GLN 53 H GLN 53 -3.351 9.472 4.923 423 HA GLN 53 HA GLN 53 -3.393 11.612 6.939 424 1HB GLN 53 2HB GLN 53 -4.979 12.822 5.329 425 2HB GLN 53 1HB GLN 53 -3.265 12.845 4.944 426 1HG GLN 53 2HG GLN 53 -5.059 10.763 3.771 427 2HG GLN 53 1HG GLN 53 -4.971 12.380 3.073 428 1HE2 GLN 53 1HE2 GLN 53 -2.488 13.100 3.035 429 2HE2 GLN 53 2HE2 GLN 53 -1.468 11.975 2.209 430 H GLU 54 H GLU 54 -4.836 11.141 8.438 431 HA GLU 54 HA GLU 54 -6.839 9.148 8.081 432 1HB GLU 54 2HB GLU 54 -6.076 11.012 10.293 433 2HB GLU 54 1HB GLU 54 -7.598 10.137 10.384 434 1HG GLU 54 2HG GLU 54 -6.463 8.030 10.296 435 2HG GLU 54 1HG GLU 54 -4.919 8.827 9.996 436 H ASN 55 H ASN 55 -6.775 12.329 7.090 437 HA ASN 55 HA ASN 55 -9.175 13.458 7.729 438 1HB ASN 55 2HB ASN 55 -7.439 13.563 5.311 439 2HB ASN 55 1HB ASN 55 -9.056 14.251 5.184 440 1HD2 ASN 55 1HD2 ASN 55 -6.355 15.476 5.179 441 2HD2 ASN 55 2HD2 ASN 55 -6.407 16.685 6.413 442 H ALA 56 H ALA 56 -8.729 11.652 4.685 443 HA ALA 56 HA ALA 56 -11.510 11.322 4.264 444 1HB ALA 56 1HB ALA 56 -10.480 9.405 2.700 445 2HB ALA 56 2HB ALA 56 -9.028 10.366 2.979 446 3HB ALA 56 3HB ALA 56 -10.450 11.115 2.271 447 H TYR 57 H TYR 57 -9.320 9.715 6.308 448 HA TYR 57 HA TYR 57 -10.950 7.291 6.425 449 1HB TYR 57 2HB TYR 57 -8.337 7.873 7.814 450 2HB TYR 57 1HB TYR 57 -9.141 6.311 7.692 451 HD1 TYR 57 1HD TYR 57 -9.806 5.871 5.020 452 HD2 TYR 57 2HD TYR 57 -6.434 7.990 6.516 453 HE1 TYR 57 1HE TYR 57 -8.593 5.396 2.938 454 HE2 TYR 57 2HE TYR 57 -5.210 7.521 4.436 455 HH TYR 57 HH TYR 57 -6.601 5.485 1.896 456 H ARG 58 H ARG 58 -11.740 9.969 7.509 457 HA ARG 58 HA ARG 58 -11.930 9.302 10.366 458 1HB ARG 58 2HB ARG 58 -11.510 11.771 8.934 459 2HB ARG 58 1HB ARG 58 -12.940 11.894 9.945 460 1HG ARG 58 2HG ARG 58 -11.710 11.418 11.909 461 2HG ARG 58 1HG ARG 58 -10.290 10.925 10.981 462 1HD ARG 58 2HD ARG 58 -9.854 13.144 10.299 463 2HD ARG 58 1HD ARG 58 -11.430 13.703 10.841 464 HE ARG 58 HE ARG 58 -10.560 13.987 12.926 465 1HH1 ARG 58 1HH1 ARG 58 -8.503 11.785 11.164 466 2HH1 ARG 58 2HH1 ARG 58 -7.303 11.712 12.410 467 1HH2 ARG 58 1HH2 ARG 58 -8.982 13.893 14.565 468 2HH2 ARG 58 2HH2 ARG 58 -7.575 12.910 14.341 469 H GLN 59 H GLN 59 -13.940 9.433 11.433 470 HA GLN 59 HA GLN 59 -16.180 8.692 9.750 471 1HB GLN 59 2HB GLN 59 -15.400 7.794 12.157 472 2HB GLN 59 1HB GLN 59 -16.530 9.033 12.677 473 1HG GLN 59 2HG GLN 59 -17.960 7.280 12.539 474 2HG GLN 59 1HG GLN 59 -18.070 7.854 10.876 475 1HE2 GLN 59 1HE2 GLN 59 -18.310 5.157 12.248 476 2HE2 GLN 59 2HE2 GLN 59 -17.310 4.117 11.298 477 H ALA 60 H ALA 60 -17.540 10.126 8.949 478 HA ALA 60 HA ALA 60 -18.620 12.240 10.573 479 1HB ALA 60 1HB ALA 60 -17.970 14.046 8.962 480 2HB ALA 60 2HB ALA 60 -16.830 12.906 8.242 481 3HB ALA 60 3HB ALA 60 -16.650 13.398 9.925 482 H ALA 61 H ALA 61 -20.660 11.512 10.164 483 HA ALA 61 HA ALA 61 -21.510 11.036 7.418 484 1HB ALA 61 1HB ALA 61 -23.650 10.349 8.489 485 2HB ALA 61 2HB ALA 61 -22.920 10.680 10.057 486 3HB ALA 61 3HB ALA 61 -22.250 9.422 9.019 Start of MODEL 5 1 1H MET 1 1HT MET 1 -5.875 7.322 1.083 2 2H MET 1 2HT MET 1 -5.379 8.611 0.063 3 3H MET 1 3HT MET 1 -4.522 8.283 1.515 4 HA MET 1 HA MET 1 -3.495 7.531 -0.615 5 1HB MET 1 2HB MET 1 -3.270 6.708 1.915 6 2HB MET 1 1HB MET 1 -3.900 5.220 1.224 7 1HG MET 1 2HG MET 1 -2.054 4.962 -0.193 8 2HG MET 1 1HG MET 1 -1.533 6.629 0.046 9 1HE MET 1 1HE MET 1 0.204 6.974 3.063 10 2HE MET 1 2HE MET 1 -1.346 6.554 3.792 11 3HE MET 1 3HE MET 1 -1.298 7.532 2.327 12 H TYR 2 H TYR 2 -4.050 6.750 -2.531 13 HA TYR 2 HA TYR 2 -6.393 5.046 -2.794 14 1HB TYR 2 2HB TYR 2 -4.736 6.686 -4.648 15 2HB TYR 2 1HB TYR 2 -5.610 5.316 -5.323 16 HD1 TYR 2 1HD TYR 2 -6.651 7.618 -2.591 17 HD2 TYR 2 2HD TYR 2 -7.311 6.303 -6.583 18 HE1 TYR 2 1HE TYR 2 -8.694 8.983 -2.699 19 HE2 TYR 2 2HE TYR 2 -9.355 7.663 -6.700 20 HH TYR 2 HH TYR 2 -11.060 8.600 -4.686 21 H LYS 3 H LYS 3 -6.380 3.023 -3.829 22 HA LYS 3 HA LYS 3 -4.224 1.338 -3.153 23 1HB LYS 3 2HB LYS 3 -6.513 0.509 -3.311 24 2HB LYS 3 1HB LYS 3 -6.545 0.865 -5.032 25 1HG LYS 3 2HG LYS 3 -4.764 -0.790 -5.391 26 2HG LYS 3 1HG LYS 3 -4.795 -1.170 -3.667 27 1HD LYS 3 2HD LYS 3 -6.243 -2.775 -4.324 28 2HD LYS 3 1HD LYS 3 -7.409 -1.452 -4.265 29 1HE LYS 3 2HE LYS 3 -5.870 -2.256 -6.729 30 2HE LYS 3 1HE LYS 3 -7.503 -2.805 -6.357 31 1HZ LYS 3 1HZ LYS 3 -8.187 -0.448 -6.321 32 2HZ LYS 3 2HZ LYS 3 -7.619 -0.946 -7.834 33 3HZ LYS 3 3HZ LYS 3 -6.635 -0.006 -6.830 34 H LYS 4 H LYS 4 -5.150 2.934 -6.144 35 HA LYS 4 HA LYS 4 -3.487 1.588 -7.930 36 1HB LYS 4 2HB LYS 4 -5.269 3.233 -8.535 37 2HB LYS 4 1HB LYS 4 -4.194 4.525 -8.014 38 1HG LYS 4 2HG LYS 4 -3.969 4.438 -10.339 39 2HG LYS 4 1HG LYS 4 -2.535 3.622 -9.711 40 1HD LYS 4 2HD LYS 4 -3.098 2.016 -11.187 41 2HD LYS 4 1HD LYS 4 -4.251 1.537 -9.940 42 1HE LYS 4 2HE LYS 4 -6.015 2.736 -11.009 43 2HE LYS 4 1HE LYS 4 -4.893 3.493 -12.139 44 1HZ LYS 4 1HZ LYS 4 -4.395 1.154 -12.915 45 2HZ LYS 4 2HZ LYS 4 -5.917 1.771 -13.323 46 3HZ LYS 4 3HZ LYS 4 -5.766 0.666 -12.050 47 H ASP 5 H ASP 5 -2.815 4.368 -5.846 48 HA ASP 5 HA ASP 5 -0.232 4.916 -6.815 49 1HB ASP 5 2HB ASP 5 -1.756 6.324 -5.261 50 2HB ASP 5 1HB ASP 5 -1.035 5.386 -3.956 51 H VAL 6 H VAL 6 -1.285 3.013 -3.991 52 HA VAL 6 HA VAL 6 1.203 2.254 -3.055 53 HB VAL 6 HB VAL 6 -1.149 0.390 -2.978 54 1HG1 VAL 6 1HG1 VAL 6 0.729 -0.509 -1.921 55 2HG1 VAL 6 2HG1 VAL 6 -0.246 0.158 -0.610 56 3HG1 VAL 6 3HG1 VAL 6 1.162 1.039 -1.198 57 1HG2 VAL 6 1HG2 VAL 6 -1.586 1.825 -0.773 58 2HG2 VAL 6 2HG2 VAL 6 -2.358 2.200 -2.313 59 3HG2 VAL 6 3HG2 VAL 6 -0.933 3.102 -1.798 60 H ILE 7 H ILE 7 -0.907 0.601 -5.390 61 HA ILE 7 HA ILE 7 0.768 -1.620 -5.820 62 HB ILE 7 HB ILE 7 -1.276 -0.379 -7.670 63 1HG1 ILE 7 2HG1 ILE 7 -1.504 -2.726 -5.772 64 2HG1 ILE 7 1HG1 ILE 7 -2.149 -1.117 -5.470 65 1HG2 ILE 7 1HG2 ILE 7 0.011 -3.105 -7.761 66 2HG2 ILE 7 2HG2 ILE 7 0.258 -1.792 -8.912 67 3HG2 ILE 7 3HG2 ILE 7 -1.322 -2.565 -8.784 68 1HD1 ILE 7 1HD1 ILE 7 -3.718 -2.956 -6.346 69 2HD1 ILE 7 2HD1 ILE 7 -2.961 -2.639 -7.907 70 3HD1 ILE 7 3HD1 ILE 7 -3.810 -1.347 -7.061 71 H ASP 8 H ASP 8 0.653 1.571 -7.291 72 HA ASP 8 HA ASP 8 2.522 0.930 -9.373 73 1HB ASP 8 2HB ASP 8 0.759 3.064 -8.800 74 2HB ASP 8 1HB ASP 8 2.377 3.757 -8.840 75 H HIS 9 H HIS 9 2.696 1.983 -6.089 76 HA HIS 9 HA HIS 9 5.399 2.962 -6.299 77 1HB HIS 9 2HB HIS 9 3.967 4.037 -4.687 78 2HB HIS 9 1HB HIS 9 3.579 2.495 -3.930 79 HD1 HIS 9 1HD HIS 9 5.907 5.296 -3.746 80 HD2 HIS 9 2HD HIS 9 5.856 1.323 -2.528 81 HE1 HIS 9 1HE HIS 9 7.739 5.094 -2.035 82 HE2 HIS 9 2HE HIS 9 7.748 2.662 -1.379 83 H PHE 10 H PHE 10 3.791 -0.020 -5.596 84 HA PHE 10 HA PHE 10 6.219 -1.207 -4.495 85 1HB PHE 10 2HB PHE 10 3.359 -2.114 -4.683 86 2HB PHE 10 1HB PHE 10 4.648 -3.257 -4.320 87 HD1 PHE 10 1HD PHE 10 4.474 -3.830 -2.096 88 HD2 PHE 10 2HD PHE 10 4.082 0.253 -3.220 89 HE1 PHE 10 1HE PHE 10 4.366 -3.191 0.276 90 HE2 PHE 10 2HE PHE 10 3.971 0.902 -0.850 91 HZ PHE 10 HZ PHE 10 4.115 -0.823 0.903 92 H GLY 11 H GLY 11 3.916 -1.738 -7.154 93 1HA GLY 11 2HA GLY 11 5.018 -2.120 -9.365 94 2HA GLY 11 1HA GLY 11 6.023 -3.292 -8.527 95 H THR 12 H THR 12 3.713 -4.209 -6.899 96 HA THR 12 HA THR 12 1.911 -5.376 -8.853 97 HB THR 12 HB THR 12 2.456 -7.683 -7.694 98 HG1 THR 12 1HG THR 12 4.613 -7.869 -7.153 99 1HG2 THR 12 1HG2 THR 12 3.712 -8.351 -9.516 100 2HG2 THR 12 2HG2 THR 12 4.492 -6.777 -9.682 101 3HG2 THR 12 3HG2 THR 12 2.801 -6.977 -10.141 102 H GLN 13 H GLN 13 0.509 -7.123 -7.521 103 HA GLN 13 HA GLN 13 -0.652 -5.576 -5.359 104 1HB GLN 13 2HB GLN 13 -1.509 -7.932 -6.989 105 2HB GLN 13 1HB GLN 13 -2.281 -7.649 -5.435 106 1HG GLN 13 2HG GLN 13 -2.367 -5.171 -6.599 107 2HG GLN 13 1HG GLN 13 -2.601 -6.253 -7.971 108 1HE2 GLN 13 1HE2 GLN 13 -3.993 -8.306 -6.858 109 2HE2 GLN 13 2HE2 GLN 13 -5.532 -7.749 -6.307 110 H ARG 14 H ARG 14 0.515 -8.914 -5.803 111 HA ARG 14 HA ARG 14 0.257 -9.777 -3.179 112 1HB ARG 14 2HB ARG 14 1.189 -10.877 -5.502 113 2HB ARG 14 1HB ARG 14 2.666 -10.756 -4.555 114 1HG ARG 14 2HG ARG 14 1.405 -11.924 -2.695 115 2HG ARG 14 1HG ARG 14 0.154 -12.261 -3.892 116 1HD ARG 14 2HD ARG 14 2.713 -12.947 -4.974 117 2HD ARG 14 1HD ARG 14 2.527 -13.704 -3.393 118 HE ARG 14 HE ARG 14 0.874 -15.049 -4.252 119 1HH1 ARG 14 1HH1 ARG 14 1.614 -12.520 -6.543 120 2HH1 ARG 14 2HH1 ARG 14 0.694 -13.236 -7.821 121 1HH2 ARG 14 1HH2 ARG 14 -0.339 -15.992 -5.934 122 2HH2 ARG 14 2HH2 ARG 14 -0.416 -15.207 -7.476 123 H ALA 15 H ALA 15 2.659 -7.714 -4.625 124 HA ALA 15 HA ALA 15 4.668 -7.932 -2.665 125 1HB ALA 15 1HB ALA 15 5.738 -6.587 -4.070 126 2HB ALA 15 2HB ALA 15 4.591 -5.284 -3.756 127 3HB ALA 15 3HB ALA 15 4.261 -6.462 -5.027 128 H VAL 16 H VAL 16 1.930 -5.699 -2.985 129 HA VAL 16 HA VAL 16 2.485 -4.088 -0.778 130 HB VAL 16 HB VAL 16 -0.366 -4.678 -1.382 131 1HG1 VAL 16 1HG1 VAL 16 -0.399 -2.160 -1.367 132 2HG1 VAL 16 2HG1 VAL 16 1.301 -2.228 -0.907 133 3HG1 VAL 16 3HG1 VAL 16 0.073 -2.930 0.147 134 1HG2 VAL 16 1HG2 VAL 16 0.280 -4.756 -3.615 135 2HG2 VAL 16 2HG2 VAL 16 1.586 -3.594 -3.383 136 3HG2 VAL 16 3HG2 VAL 16 -0.091 -3.048 -3.379 137 H ALA 17 H ALA 17 1.052 -7.256 -1.001 138 HA ALA 17 HA ALA 17 -0.072 -7.269 1.627 139 1HB ALA 17 1HB ALA 17 -0.317 -8.858 -0.611 140 2HB ALA 17 2HB ALA 17 -1.015 -9.181 0.976 141 3HB ALA 17 3HB ALA 17 0.537 -9.894 0.534 142 H LYS 18 H LYS 18 3.073 -7.908 0.315 143 HA LYS 18 HA LYS 18 3.941 -9.321 2.705 144 1HB LYS 18 2HB LYS 18 5.813 -9.970 1.536 145 2HB LYS 18 1HB LYS 18 4.658 -9.782 0.227 146 1HG LYS 18 2HG LYS 18 5.705 -7.305 0.279 147 2HG LYS 18 1HG LYS 18 7.087 -8.241 0.851 148 1HD LYS 18 2HD LYS 18 5.640 -9.318 -1.493 149 2HD LYS 18 1HD LYS 18 6.559 -7.833 -1.748 150 1HE LYS 18 2HE LYS 18 8.269 -9.250 -2.113 151 2HE LYS 18 1HE LYS 18 8.354 -9.290 -0.353 152 1HZ LYS 18 1HZ LYS 18 8.208 -11.492 -0.694 153 2HZ LYS 18 2HZ LYS 18 7.475 -11.338 -2.211 154 3HZ LYS 18 3HZ LYS 18 6.546 -11.188 -0.805 155 H ALA 19 H ALA 19 3.157 -6.380 2.630 156 HA ALA 19 HA ALA 19 5.647 -5.337 3.814 157 1HB ALA 19 1HB ALA 19 5.455 -3.886 2.078 158 2HB ALA 19 2HB ALA 19 4.387 -3.066 3.217 159 3HB ALA 19 3HB ALA 19 3.707 -4.091 1.955 160 H LEU 20 H LEU 20 2.107 -5.296 3.948 161 HA LEU 20 HA LEU 20 2.186 -4.100 6.610 162 1HB LEU 20 2HB LEU 20 -0.295 -4.944 5.145 163 2HB LEU 20 1HB LEU 20 -0.126 -3.723 6.393 164 HG LEU 20 HG LEU 20 1.265 -3.329 3.776 165 1HD1 LEU 20 1HD1 LEU 20 -1.547 -2.391 4.169 166 2HD1 LEU 20 2HD1 LEU 20 -1.218 -3.982 3.482 167 3HD1 LEU 20 3HD1 LEU 20 -0.612 -2.532 2.681 168 1HD2 LEU 20 1HD2 LEU 20 1.478 -1.875 5.897 169 2HD2 LEU 20 2HD2 LEU 20 -0.125 -1.282 5.461 170 3HD2 LEU 20 3HD2 LEU 20 1.223 -1.080 4.344 171 H GLY 21 H GLY 21 1.562 -7.145 5.023 172 1HA GLY 21 2HA GLY 21 1.933 -9.176 6.292 173 2HA GLY 21 1HA GLY 21 1.215 -8.374 7.682 174 H ILE 22 H ILE 22 -0.060 -8.291 4.405 175 HA ILE 22 HA ILE 22 -2.341 -9.921 5.318 176 HB ILE 22 HB ILE 22 -3.784 -8.579 3.819 177 1HG1 ILE 22 2HG1 ILE 22 -1.335 -6.815 3.581 178 2HG1 ILE 22 1HG1 ILE 22 -2.046 -7.772 2.285 179 1HG2 ILE 22 1HG2 ILE 22 -3.074 -8.048 6.348 180 2HG2 ILE 22 2HG2 ILE 22 -4.261 -7.098 5.455 181 3HG2 ILE 22 3HG2 ILE 22 -2.596 -6.533 5.582 182 1HD1 ILE 22 1HD1 ILE 22 -2.573 -5.307 2.296 183 2HD1 ILE 22 2HD1 ILE 22 -3.567 -5.622 3.720 184 3HD1 ILE 22 3HD1 ILE 22 -3.951 -6.402 2.185 185 H SER 23 H SER 23 -3.715 -10.427 3.155 186 HA SER 23 HA SER 23 -1.832 -11.878 1.440 187 1HB SER 23 2HB SER 23 -4.758 -12.250 2.065 188 2HB SER 23 1HB SER 23 -3.993 -13.066 0.702 189 HG SER 23 HG SER 23 -2.410 -13.801 2.352 190 H ASP 24 H ASP 24 -2.854 -12.234 -0.873 191 HA ASP 24 HA ASP 24 -2.805 -9.695 -2.145 192 1HB ASP 24 2HB ASP 24 -1.931 -11.755 -3.198 193 2HB ASP 24 1HB ASP 24 -3.571 -12.385 -3.298 194 H ALA 25 H ALA 25 -5.349 -11.820 -1.079 195 HA ALA 25 HA ALA 25 -7.459 -10.785 -2.634 196 1HB ALA 25 1HB ALA 25 -7.618 -12.017 0.114 197 2HB ALA 25 2HB ALA 25 -7.572 -12.917 -1.403 198 3HB ALA 25 3HB ALA 25 -8.937 -11.859 -1.047 199 H ALA 26 H ALA 26 -6.354 -9.980 0.649 200 HA ALA 26 HA ALA 26 -8.279 -8.040 1.227 201 1HB ALA 26 1HB ALA 26 -7.115 -7.691 3.130 202 2HB ALA 26 2HB ALA 26 -5.568 -7.569 2.290 203 3HB ALA 26 3HB ALA 26 -6.269 -9.154 2.622 204 H VAL 27 H VAL 27 -5.341 -7.865 -0.657 205 HA VAL 27 HA VAL 27 -5.240 -5.007 -0.770 206 HB VAL 27 HB VAL 27 -3.942 -7.007 -2.627 207 1HG1 VAL 27 1HG1 VAL 27 -4.024 -4.733 -3.526 208 2HG1 VAL 27 2HG1 VAL 27 -2.373 -5.205 -3.122 209 3HG1 VAL 27 3HG1 VAL 27 -3.267 -4.122 -2.054 210 1HG2 VAL 27 1HG2 VAL 27 -2.023 -6.952 -1.227 211 2HG2 VAL 27 2HG2 VAL 27 -3.405 -7.283 -0.184 212 3HG2 VAL 27 3HG2 VAL 27 -2.704 -5.665 -0.231 213 H SER 28 H SER 28 -6.385 -7.554 -2.960 214 HA SER 28 HA SER 28 -7.148 -5.797 -5.048 215 1HB SER 28 2HB SER 28 -7.003 -8.561 -4.705 216 2HB SER 28 1HB SER 28 -8.719 -8.243 -4.956 217 HG SER 28 HG SER 28 -7.937 -6.923 -6.810 218 H GLN 29 H GLN 29 -8.720 -6.911 -2.144 219 HA GLN 29 HA GLN 29 -11.360 -6.124 -2.897 220 1HB GLN 29 2HB GLN 29 -10.100 -6.771 -0.231 221 2HB GLN 29 1HB GLN 29 -11.800 -6.355 -0.415 222 1HG GLN 29 2HG GLN 29 -12.310 -8.315 -1.491 223 2HG GLN 29 1HG GLN 29 -10.660 -8.557 -2.064 224 1HE2 GLN 29 1HE2 GLN 29 -11.800 -10.695 -1.050 225 2HE2 GLN 29 2HE2 GLN 29 -11.210 -11.055 0.535 226 H TRP 30 H TRP 30 -8.603 -4.438 -1.745 227 HA TRP 30 HA TRP 30 -9.666 -2.356 -0.276 228 1HB TRP 30 2HB TRP 30 -7.338 -2.471 -2.182 229 2HB TRP 30 1HB TRP 30 -7.745 -0.994 -1.317 230 HD1 TRP 30 HD TRP 30 -8.584 -3.213 1.250 231 HE1 TRP 30 1HE TRP 30 -6.611 -3.796 2.797 232 HE3 TRP 30 3HE TRP 30 -4.725 -1.730 -1.758 233 HZ2 TRP 30 2HZ TRP 30 -3.793 -3.649 2.748 234 HZ3 TRP 30 3HZ TRP 30 -2.420 -1.984 -0.932 235 HH2 TRP 30 HH TRP 30 -1.965 -2.924 1.275 236 H LYS 31 H LYS 31 -10.750 -0.510 -0.705 237 HA LYS 31 HA LYS 31 -11.940 -0.253 -3.340 238 1HB LYS 31 2HB LYS 31 -12.660 0.473 -0.647 239 2HB LYS 31 1HB LYS 31 -12.770 1.880 -1.692 240 1HG LYS 31 2HG LYS 31 -14.120 0.375 -3.262 241 2HG LYS 31 1HG LYS 31 -14.240 -0.724 -1.888 242 1HD LYS 31 2HD LYS 31 -15.100 1.279 -0.572 243 2HD LYS 31 1HD LYS 31 -15.270 2.088 -2.130 244 1HE LYS 31 2HE LYS 31 -16.480 -0.610 -1.603 245 2HE LYS 31 1HE LYS 31 -17.320 0.882 -1.183 246 1HZ LYS 31 1HZ LYS 31 -16.410 0.077 -3.892 247 2HZ LYS 31 2HZ LYS 31 -17.120 1.566 -3.518 248 3HZ LYS 31 3HZ LYS 31 -18.010 0.141 -3.346 249 H GLU 32 H GLU 32 -12.360 2.469 -3.525 250 HA GLU 32 HA GLU 32 -10.160 3.407 -4.877 251 1HB GLU 32 2HB GLU 32 -12.690 4.389 -4.236 252 2HB GLU 32 1HB GLU 32 -11.580 5.588 -3.576 253 1HG GLU 32 2HG GLU 32 -10.510 5.788 -5.767 254 2HG GLU 32 1HG GLU 32 -11.640 4.604 -6.421 255 H VAL 33 H VAL 33 -10.780 3.465 -1.453 256 HA VAL 33 HA VAL 33 -8.135 4.673 -1.040 257 HB VAL 33 HB VAL 33 -10.530 5.202 0.721 258 1HG1 VAL 33 1HG1 VAL 33 -8.839 5.591 2.167 259 2HG1 VAL 33 2HG1 VAL 33 -8.757 7.131 1.311 260 3HG1 VAL 33 3HG1 VAL 33 -7.653 5.824 0.884 261 1HG2 VAL 33 1HG2 VAL 33 -9.254 7.337 -0.909 262 2HG2 VAL 33 2HG2 VAL 33 -10.910 7.199 -0.327 263 3HG2 VAL 33 3HG2 VAL 33 -10.370 6.235 -1.704 264 H ILE 34 H ILE 34 -6.861 3.215 -0.115 265 HA ILE 34 HA ILE 34 -7.619 0.779 0.939 266 HB ILE 34 HB ILE 34 -5.382 0.841 2.160 267 1HG1 ILE 34 2HG1 ILE 34 -5.021 3.388 0.575 268 2HG1 ILE 34 1HG1 ILE 34 -5.356 3.361 2.303 269 1HG2 ILE 34 1HG2 ILE 34 -5.890 0.001 -0.203 270 2HG2 ILE 34 2HG2 ILE 34 -4.207 0.340 0.205 271 3HG2 ILE 34 3HG2 ILE 34 -5.132 1.494 -0.755 272 1HD1 ILE 34 1HD1 ILE 34 -2.929 2.318 0.879 273 2HD1 ILE 34 2HD1 ILE 34 -3.285 1.970 2.572 274 3HD1 ILE 34 3HD1 ILE 34 -3.026 3.634 2.048 275 HA PRO 35 HA PRO 35 -9.237 1.103 5.009 276 1HB PRO 35 2HB PRO 35 -6.844 -0.403 5.971 277 2HB PRO 35 1HB PRO 35 -8.560 -0.710 6.266 278 1HG PRO 35 2HG PRO 35 -7.207 -2.188 4.519 279 2HG PRO 35 1HG PRO 35 -8.877 -1.692 4.186 280 1HD PRO 35 2HD PRO 35 -6.326 -0.658 3.040 281 2HD PRO 35 1HD PRO 35 -7.921 -0.830 2.278 282 H GLU 36 H GLU 36 -8.578 1.681 7.331 283 HA GLU 36 HA GLU 36 -7.011 4.106 7.205 284 1HB GLU 36 2HB GLU 36 -9.120 4.114 8.423 285 2HB GLU 36 1HB GLU 36 -8.547 2.824 9.472 286 1HG GLU 36 2HG GLU 36 -6.687 4.441 10.142 287 2HG GLU 36 1HG GLU 36 -7.673 5.687 9.378 288 H LYS 37 H LYS 37 -6.704 0.879 8.516 289 HA LYS 37 HA LYS 37 -4.293 1.570 9.989 290 1HB LYS 37 2HB LYS 37 -4.314 -0.780 10.705 291 2HB LYS 37 1HB LYS 37 -5.857 0.006 11.010 292 1HG LYS 37 2HG LYS 37 -6.177 -1.082 8.496 293 2HG LYS 37 1HG LYS 37 -5.232 -2.296 9.361 294 1HD LYS 37 2HD LYS 37 -7.170 -3.000 10.219 295 2HD LYS 37 1HD LYS 37 -7.151 -1.534 11.200 296 1HE LYS 37 2HE LYS 37 -8.198 -0.510 8.980 297 2HE LYS 37 1HE LYS 37 -8.720 -2.180 8.765 298 1HZ LYS 37 1HZ LYS 37 -9.594 -0.201 10.695 299 2HZ LYS 37 2HZ LYS 37 -9.387 -1.761 11.311 300 3HZ LYS 37 3HZ LYS 37 -10.440 -1.498 10.014 301 H ASP 38 H ASP 38 -5.177 0.294 6.911 302 HA ASP 38 HA ASP 38 -2.663 -1.022 6.425 303 1HB ASP 38 2HB ASP 38 -5.168 -0.547 4.898 304 2HB ASP 38 1HB ASP 38 -3.701 -0.794 3.957 305 H ALA 39 H ALA 39 -4.178 2.042 5.523 306 HA ALA 39 HA ALA 39 -2.072 2.916 3.830 307 1HB ALA 39 1HB ALA 39 -3.831 4.855 5.256 308 2HB ALA 39 2HB ALA 39 -4.539 3.760 4.070 309 3HB ALA 39 3HB ALA 39 -3.257 4.872 3.589 310 H TYR 40 H TYR 40 -2.568 2.944 7.258 311 HA TYR 40 HA TYR 40 -0.755 5.025 7.910 312 1HB TYR 40 2HB TYR 40 -2.433 4.309 9.507 313 2HB TYR 40 1HB TYR 40 -1.759 2.678 9.536 314 HD1 TYR 40 1HD TYR 40 -0.046 2.120 11.036 315 HD2 TYR 40 2HD TYR 40 -1.005 6.214 10.390 316 HE1 TYR 40 1HE TYR 40 1.417 2.752 12.912 317 HE2 TYR 40 2HE TYR 40 0.454 6.859 12.260 318 HH TYR 40 HH TYR 40 1.394 5.851 14.297 319 H ARG 41 H ARG 41 -0.398 1.488 8.240 320 HA ARG 41 HA ARG 41 2.310 1.473 8.874 321 1HB ARG 41 2HB ARG 41 0.800 -0.639 7.327 322 2HB ARG 41 1HB ARG 41 2.304 -0.873 8.206 323 1HG ARG 41 2HG ARG 41 1.279 -0.845 10.248 324 2HG ARG 41 1HG ARG 41 -0.056 0.164 9.687 325 1HD ARG 41 2HD ARG 41 -1.208 -1.618 8.803 326 2HD ARG 41 1HD ARG 41 0.251 -2.576 8.560 327 HE ARG 41 HE ARG 41 0.078 -2.413 11.249 328 1HH1 ARG 41 1HH1 ARG 41 -2.201 -3.347 8.776 329 2HH1 ARG 41 2HH1 ARG 41 -3.052 -4.453 9.801 330 1HH2 ARG 41 1HH2 ARG 41 -1.038 -3.869 12.600 331 2HH2 ARG 41 2HH2 ARG 41 -2.391 -4.750 11.973 332 H LEU 42 H LEU 42 0.728 1.818 5.791 333 HA LEU 42 HA LEU 42 2.810 1.121 4.071 334 1HB LEU 42 2HB LEU 42 0.407 2.857 3.883 335 2HB LEU 42 1HB LEU 42 1.635 3.053 2.647 336 HG LEU 42 HG LEU 42 0.338 0.410 3.310 337 1HD1 LEU 42 1HD1 LEU 42 -0.305 1.735 0.771 338 2HD1 LEU 42 2HD1 LEU 42 -0.983 2.502 2.207 339 3HD1 LEU 42 3HD1 LEU 42 -1.331 0.808 1.863 340 1HD2 LEU 42 1HD2 LEU 42 1.498 -0.488 1.553 341 2HD2 LEU 42 2HD2 LEU 42 2.674 0.692 2.131 342 3HD2 LEU 42 3HD2 LEU 42 1.671 1.062 0.729 343 H GLU 43 H GLU 43 2.036 4.259 5.545 344 HA GLU 43 HA GLU 43 3.965 5.822 4.324 345 1HB GLU 43 2HB GLU 43 2.188 6.697 5.796 346 2HB GLU 43 1HB GLU 43 3.013 6.012 7.189 347 1HG GLU 43 2HG GLU 43 4.995 7.451 6.544 348 2HG GLU 43 1HG GLU 43 3.904 8.271 5.427 349 H ILE 44 H ILE 44 4.323 3.445 6.842 350 HA ILE 44 HA ILE 44 7.044 4.263 7.454 351 HB ILE 44 HB ILE 44 5.548 1.834 8.437 352 1HG1 ILE 44 2HG1 ILE 44 5.545 4.690 9.293 353 2HG1 ILE 44 1HG1 ILE 44 4.239 3.512 9.319 354 1HG2 ILE 44 1HG2 ILE 44 7.999 3.223 9.518 355 2HG2 ILE 44 2HG2 ILE 44 7.990 1.700 8.630 356 3HG2 ILE 44 3HG2 ILE 44 7.214 1.803 10.210 357 1HD1 ILE 44 1HD1 ILE 44 4.889 4.140 11.562 358 2HD1 ILE 44 2HD1 ILE 44 6.549 3.644 11.239 359 3HD1 ILE 44 3HD1 ILE 44 5.261 2.441 11.266 360 H VAL 45 H VAL 45 5.363 1.536 5.945 361 HA VAL 45 HA VAL 45 7.632 -0.023 5.384 362 HB VAL 45 HB VAL 45 5.014 -0.489 5.188 363 1HG1 VAL 45 1HG1 VAL 45 5.800 -0.145 2.302 364 2HG1 VAL 45 2HG1 VAL 45 4.787 0.986 3.198 365 3HG1 VAL 45 3HG1 VAL 45 4.239 -0.669 2.933 366 1HG2 VAL 45 1HG2 VAL 45 7.273 -1.935 4.845 367 2HG2 VAL 45 2HG2 VAL 45 6.532 -2.096 3.252 368 3HG2 VAL 45 3HG2 VAL 45 5.643 -2.592 4.693 369 H THR 46 H THR 46 6.012 2.522 3.577 370 HA THR 46 HA THR 46 7.670 2.221 1.256 371 HB THR 46 HB THR 46 6.531 4.352 0.559 372 HG1 THR 46 1HG THR 46 6.145 4.987 2.816 373 1HG2 THR 46 1HG2 THR 46 4.197 3.370 0.532 374 2HG2 THR 46 2HG2 THR 46 4.894 1.985 1.371 375 3HG2 THR 46 3HG2 THR 46 5.475 2.427 -0.234 376 H ALA 47 H ALA 47 8.432 3.340 4.225 377 HA ALA 47 HA ALA 47 10.184 4.552 5.028 378 1HB ALA 47 1HB ALA 47 12.040 4.971 3.681 379 2HB ALA 47 2HB ALA 47 11.063 5.164 2.227 380 3HB ALA 47 3HB ALA 47 11.290 3.563 2.930 381 H GLY 48 H GLY 48 7.683 5.783 4.669 382 1HA GLY 48 2HA GLY 48 6.811 7.895 4.949 383 2HA GLY 48 1HA GLY 48 8.449 8.523 4.886 384 H ALA 49 H ALA 49 7.234 6.572 2.280 385 HA ALA 49 HA ALA 49 7.687 8.682 0.400 386 1HB ALA 49 1HB ALA 49 6.244 6.144 -0.268 387 2HB ALA 49 2HB ALA 49 7.974 6.135 0.073 388 3HB ALA 49 3HB ALA 49 7.344 7.098 -1.263 389 H LEU 50 H LEU 50 4.785 6.914 1.464 390 HA LEU 50 HA LEU 50 3.080 8.845 0.107 391 1HB LEU 50 2HB LEU 50 2.718 6.160 1.314 392 2HB LEU 50 1HB LEU 50 1.330 7.231 1.342 393 HG LEU 50 HG LEU 50 2.766 6.837 -1.243 394 1HD1 LEU 50 1HD1 LEU 50 2.270 4.594 -0.003 395 2HD1 LEU 50 2HD1 LEU 50 1.855 4.780 -1.707 396 3HD1 LEU 50 3HD1 LEU 50 0.605 4.933 -0.473 397 1HD2 LEU 50 1HD2 LEU 50 0.113 7.713 -0.279 398 2HD2 LEU 50 2HD2 LEU 50 0.145 6.802 -1.790 399 3HD2 LEU 50 3HD2 LEU 50 1.078 8.291 -1.638 400 H LYS 51 H LYS 51 1.538 10.127 1.156 401 HA LYS 51 HA LYS 51 2.171 10.673 3.972 402 1HB LYS 51 2HB LYS 51 1.905 12.371 1.754 403 2HB LYS 51 1HB LYS 51 0.471 12.655 2.730 404 1HG LYS 51 2HG LYS 51 2.338 12.712 4.653 405 2HG LYS 51 1HG LYS 51 3.298 13.274 3.283 406 1HD LYS 51 2HD LYS 51 1.186 14.811 2.886 407 2HD LYS 51 1HD LYS 51 0.956 14.539 4.615 408 1HE LYS 51 2HE LYS 51 3.620 15.122 4.484 409 2HE LYS 51 1HE LYS 51 2.966 16.140 3.201 410 1HZ LYS 51 1HZ LYS 51 3.051 16.879 5.744 411 2HZ LYS 51 2HZ LYS 51 1.519 16.163 5.724 412 3HZ LYS 51 3HZ LYS 51 1.871 17.434 4.664 413 H TYR 52 H TYR 52 0.759 10.123 5.487 414 HA TYR 52 HA TYR 52 -1.821 9.069 4.759 415 1HB TYR 52 2HB TYR 52 -0.296 8.147 6.581 416 2HB TYR 52 1HB TYR 52 -0.790 9.526 7.557 417 HD1 TYR 52 1HD TYR 52 -3.309 9.820 7.984 418 HD2 TYR 52 2HD TYR 52 -1.589 6.205 6.545 419 HE1 TYR 52 1HE TYR 52 -5.301 8.584 8.727 420 HE2 TYR 52 2HE TYR 52 -3.577 4.960 7.283 421 HH TYR 52 HH TYR 52 -5.404 5.147 8.811 422 H GLN 53 H GLN 53 -3.735 10.066 4.859 423 HA GLN 53 HA GLN 53 -3.889 12.653 6.259 424 1HB GLN 53 2HB GLN 53 -5.326 12.026 3.680 425 2HB GLN 53 1HB GLN 53 -5.209 13.580 4.493 426 1HG GLN 53 2HG GLN 53 -2.574 12.828 4.048 427 2HG GLN 53 1HG GLN 53 -3.430 12.357 2.581 428 1HE2 GLN 53 1HE2 GLN 53 -2.101 14.005 1.578 429 2HE2 GLN 53 2HE2 GLN 53 -2.608 15.654 1.640 430 H GLU 54 H GLU 54 -5.112 12.239 7.990 431 HA GLU 54 HA GLU 54 -7.042 10.228 8.214 432 1HB GLU 54 2HB GLU 54 -7.777 11.413 10.246 433 2HB GLU 54 1HB GLU 54 -6.028 11.255 10.168 434 1HG GLU 54 2HG GLU 54 -5.713 13.511 9.734 435 2HG GLU 54 1HG GLU 54 -7.375 13.738 9.192 436 H ASN 55 H ASN 55 -7.216 13.330 6.740 437 HA ASN 55 HA ASN 55 -9.869 14.035 6.999 438 1HB ASN 55 2HB ASN 55 -8.122 14.305 4.544 439 2HB ASN 55 1HB ASN 55 -9.622 15.184 4.825 440 1HD2 ASN 55 1HD2 ASN 55 -9.560 16.127 7.234 441 2HD2 ASN 55 2HD2 ASN 55 -8.165 17.103 7.536 442 H ALA 56 H ALA 56 -8.470 11.453 5.136 443 HA ALA 56 HA ALA 56 -11.010 10.942 3.780 444 1HB ALA 56 1HB ALA 56 -8.366 10.689 2.967 445 2HB ALA 56 2HB ALA 56 -9.796 10.112 2.111 446 3HB ALA 56 3HB ALA 56 -8.922 9.031 3.198 447 H TYR 57 H TYR 57 -9.006 9.747 6.345 448 HA TYR 57 HA TYR 57 -10.570 7.286 6.552 449 1HB TYR 57 2HB TYR 57 -8.219 8.081 8.258 450 2HB TYR 57 1HB TYR 57 -8.897 6.473 8.033 451 HD1 TYR 57 1HD TYR 57 -8.645 5.354 5.787 452 HD2 TYR 57 2HD TYR 57 -6.545 8.910 6.813 453 HE1 TYR 57 1HE TYR 57 -7.051 4.932 3.964 454 HE2 TYR 57 2HE TYR 57 -4.946 8.498 4.991 455 HH TYR 57 HH TYR 57 -5.471 6.082 2.595 456 H ARG 58 H ARG 58 -11.690 9.923 7.183 457 HA ARG 58 HA ARG 58 -12.200 9.559 10.063 458 1HB ARG 58 2HB ARG 58 -12.860 11.958 10.078 459 2HB ARG 58 1HB ARG 58 -11.170 11.697 9.664 460 1HG ARG 58 2HG ARG 58 -11.460 12.359 7.491 461 2HG ARG 58 1HG ARG 58 -13.170 11.931 7.469 462 1HD ARG 58 2HD ARG 58 -13.800 13.880 8.538 463 2HD ARG 58 1HD ARG 58 -12.210 14.131 9.249 464 HE ARG 58 HE ARG 58 -12.230 14.316 6.382 465 1HH1 ARG 58 1HH1 ARG 58 -12.730 16.063 9.363 466 2HH1 ARG 58 2HH1 ARG 58 -12.400 17.609 8.656 467 1HH2 ARG 58 1HH2 ARG 58 -11.800 16.349 5.452 468 2HH2 ARG 58 2HH2 ARG 58 -11.870 17.772 6.438 469 H GLN 59 H GLN 59 -13.640 10.074 6.905 470 HA GLN 59 HA GLN 59 -16.340 10.131 7.953 471 1HB GLN 59 2HB GLN 59 -15.310 10.004 5.114 472 2HB GLN 59 1HB GLN 59 -17.000 10.191 5.561 473 1HG GLN 59 2HG GLN 59 -14.900 12.126 6.481 474 2HG GLN 59 1HG GLN 59 -15.690 12.281 4.910 475 1HE2 GLN 59 1HE2 GLN 59 -16.280 12.134 8.376 476 2HE2 GLN 59 2HE2 GLN 59 -17.750 13.043 8.351 477 H ALA 60 H ALA 60 -14.410 7.918 5.935 478 HA ALA 60 HA ALA 60 -16.090 5.710 6.900 479 1HB ALA 60 1HB ALA 60 -16.440 6.675 4.409 480 2HB ALA 60 2HB ALA 60 -16.700 4.987 4.850 481 3HB ALA 60 3HB ALA 60 -15.180 5.480 4.107 482 H ALA 61 H ALA 61 -14.850 4.265 7.876 483 HA ALA 61 HA ALA 61 -12.100 3.875 6.885 484 1HB ALA 61 1HB ALA 61 -13.150 4.218 9.626 485 2HB ALA 61 2HB ALA 61 -11.590 4.686 8.938 486 3HB ALA 61 3HB ALA 61 -11.880 3.011 9.410 Start of MODEL 6 1 1H MET 1 1HT MET 1 -5.074 7.169 1.229 2 2H MET 1 2HT MET 1 -4.603 8.475 0.218 3 3H MET 1 3HT MET 1 -3.601 7.996 1.527 4 HA MET 1 HA MET 1 -2.913 7.294 -0.747 5 1HB MET 1 2HB MET 1 -3.170 5.704 1.743 6 2HB MET 1 1HB MET 1 -2.685 4.817 0.304 7 1HG MET 1 2HG MET 1 -0.696 5.955 0.105 8 2HG MET 1 1HG MET 1 -1.279 7.346 1.016 9 1HE MET 1 1HE MET 1 -1.252 6.663 4.453 10 2HE MET 1 2HE MET 1 -1.275 7.772 3.083 11 3HE MET 1 3HE MET 1 0.254 7.361 3.860 12 H TYR 2 H TYR 2 -3.646 6.532 -2.618 13 HA TYR 2 HA TYR 2 -6.199 5.125 -2.684 14 1HB TYR 2 2HB TYR 2 -4.549 6.606 -4.685 15 2HB TYR 2 1HB TYR 2 -5.684 5.392 -5.265 16 HD1 TYR 2 1HD TYR 2 -7.427 6.571 -6.253 17 HD2 TYR 2 2HD TYR 2 -5.991 7.816 -2.446 18 HE1 TYR 2 1HE TYR 2 -9.254 8.209 -6.107 19 HE2 TYR 2 2HE TYR 2 -7.815 9.458 -2.289 20 HH TYR 2 HH TYR 2 -10.030 9.836 -3.220 21 H LYS 3 H LYS 3 -6.500 3.116 -3.663 22 HA LYS 3 HA LYS 3 -4.543 1.183 -3.224 23 1HB LYS 3 2HB LYS 3 -6.926 0.656 -3.367 24 2HB LYS 3 1HB LYS 3 -6.932 1.074 -5.076 25 1HG LYS 3 2HG LYS 3 -5.216 -0.768 -5.382 26 2HG LYS 3 1HG LYS 3 -5.618 -1.269 -3.739 27 1HD LYS 3 2HD LYS 3 -7.687 -2.019 -4.330 28 2HD LYS 3 1HD LYS 3 -7.873 -0.823 -5.612 29 1HE LYS 3 2HE LYS 3 -5.930 -3.104 -5.819 30 2HE LYS 3 1HE LYS 3 -7.614 -3.260 -6.314 31 1HZ LYS 3 1HZ LYS 3 -5.680 -2.470 -7.947 32 2HZ LYS 3 2HZ LYS 3 -6.183 -0.962 -7.368 33 3HZ LYS 3 3HZ LYS 3 -7.292 -1.988 -8.127 34 H LYS 4 H LYS 4 -5.197 3.150 -6.033 35 HA LYS 4 HA LYS 4 -3.661 1.616 -7.878 36 1HB LYS 4 2HB LYS 4 -5.464 3.394 -8.368 37 2HB LYS 4 1HB LYS 4 -4.179 4.570 -8.130 38 1HG LYS 4 2HG LYS 4 -2.944 2.989 -9.871 39 2HG LYS 4 1HG LYS 4 -4.611 2.641 -10.334 40 1HD LYS 4 2HD LYS 4 -4.535 4.495 -11.572 41 2HD LYS 4 1HD LYS 4 -4.546 5.401 -10.057 42 1HE LYS 4 2HE LYS 4 -2.641 6.271 -10.911 43 2HE LYS 4 1HE LYS 4 -1.935 4.819 -10.203 44 1HZ LYS 4 1HZ LYS 4 -2.636 3.893 -12.586 45 2HZ LYS 4 2HZ LYS 4 -1.126 4.590 -12.278 46 3HZ LYS 4 3HZ LYS 4 -2.349 5.509 -12.997 47 H ASP 5 H ASP 5 -2.973 4.429 -5.846 48 HA ASP 5 HA ASP 5 -0.399 4.975 -6.821 49 1HB ASP 5 2HB ASP 5 -1.720 5.511 -4.166 50 2HB ASP 5 1HB ASP 5 -0.076 6.032 -4.513 51 H VAL 6 H VAL 6 -1.391 3.085 -3.961 52 HA VAL 6 HA VAL 6 1.109 2.305 -3.095 53 HB VAL 6 HB VAL 6 -1.261 0.462 -2.963 54 1HG1 VAL 6 1HG1 VAL 6 -0.308 0.131 -0.657 55 2HG1 VAL 6 2HG1 VAL 6 1.076 1.084 -1.191 56 3HG1 VAL 6 3HG1 VAL 6 0.691 -0.438 -1.994 57 1HG2 VAL 6 1HG2 VAL 6 -0.987 3.172 -1.816 58 2HG2 VAL 6 2HG2 VAL 6 -1.559 1.915 -0.719 59 3HG2 VAL 6 3HG2 VAL 6 -2.436 2.249 -2.213 60 H ILE 7 H ILE 7 -1.057 0.658 -5.386 61 HA ILE 7 HA ILE 7 0.613 -1.564 -5.852 62 HB ILE 7 HB ILE 7 -1.518 -0.334 -7.607 63 1HG1 ILE 7 2HG1 ILE 7 -1.616 -2.791 -5.846 64 2HG1 ILE 7 1HG1 ILE 7 -2.219 -1.207 -5.364 65 1HG2 ILE 7 1HG2 ILE 7 -0.029 -1.640 -8.986 66 2HG2 ILE 7 2HG2 ILE 7 -1.548 -2.509 -8.773 67 3HG2 ILE 7 3HG2 ILE 7 -0.121 -2.994 -7.858 68 1HD1 ILE 7 1HD1 ILE 7 -3.652 -1.379 -7.511 69 2HD1 ILE 7 2HD1 ILE 7 -4.125 -2.284 -6.072 70 3HD1 ILE 7 3HD1 ILE 7 -3.299 -3.104 -7.396 71 H ASP 8 H ASP 8 0.498 1.643 -7.257 72 HA ASP 8 HA ASP 8 2.265 1.016 -9.431 73 1HB ASP 8 2HB ASP 8 0.586 3.186 -8.714 74 2HB ASP 8 1HB ASP 8 2.219 3.827 -8.843 75 H HIS 9 H HIS 9 2.569 2.090 -6.147 76 HA HIS 9 HA HIS 9 5.321 2.910 -6.458 77 1HB HIS 9 2HB HIS 9 3.962 4.123 -4.864 78 2HB HIS 9 1HB HIS 9 3.557 2.634 -4.017 79 HD1 HIS 9 1HD HIS 9 5.725 5.438 -3.751 80 HD2 HIS 9 2HD HIS 9 6.107 1.376 -2.962 81 HE1 HIS 9 1HE HIS 9 7.681 5.237 -2.182 82 HE2 HIS 9 2HE HIS 9 7.946 2.763 -1.789 83 H PHE 10 H PHE 10 3.546 0.076 -5.549 84 HA PHE 10 HA PHE 10 5.906 -1.221 -4.436 85 1HB PHE 10 2HB PHE 10 3.001 -1.975 -4.631 86 2HB PHE 10 1HB PHE 10 4.223 -3.171 -4.210 87 HD1 PHE 10 1HD PHE 10 3.850 0.402 -3.234 88 HD2 PHE 10 2HD PHE 10 3.966 -3.659 -1.975 89 HE1 PHE 10 1HE PHE 10 3.741 1.132 -0.888 90 HE2 PHE 10 2HE PHE 10 3.858 -2.938 0.374 91 HZ PHE 10 HZ PHE 10 3.745 -0.540 0.920 92 H GLY 11 H GLY 11 3.580 -1.739 -7.082 93 1HA GLY 11 2HA GLY 11 4.565 -2.260 -9.287 94 2HA GLY 11 1HA GLY 11 5.660 -3.343 -8.440 95 H THR 12 H THR 12 3.459 -4.255 -6.654 96 HA THR 12 HA THR 12 1.524 -5.519 -8.364 97 HB THR 12 HB THR 12 2.385 -7.837 -7.378 98 HG1 THR 12 1HG THR 12 4.783 -6.372 -7.743 99 1HG2 THR 12 1HG2 THR 12 2.120 -7.216 -9.795 100 2HG2 THR 12 2HG2 THR 12 3.409 -8.365 -9.434 101 3HG2 THR 12 3HG2 THR 12 3.798 -6.675 -9.756 102 H GLN 13 H GLN 13 -0.016 -6.832 -7.147 103 HA GLN 13 HA GLN 13 -0.693 -5.630 -4.677 104 1HB GLN 13 2HB GLN 13 -2.478 -7.368 -4.590 105 2HB GLN 13 1HB GLN 13 -2.439 -6.470 -6.101 106 1HG GLN 13 2HG GLN 13 -1.361 -8.304 -7.221 107 2HG GLN 13 1HG GLN 13 -1.217 -9.190 -5.704 108 1HE2 GLN 13 1HE2 GLN 13 -3.909 -7.379 -7.121 109 2HE2 GLN 13 2HE2 GLN 13 -5.023 -8.698 -7.126 110 H ARG 14 H ARG 14 0.719 -8.763 -5.517 111 HA ARG 14 HA ARG 14 0.695 -9.923 -2.979 112 1HB ARG 14 2HB ARG 14 1.472 -10.762 -5.420 113 2HB ARG 14 1HB ARG 14 3.049 -10.469 -4.696 114 1HG ARG 14 2HG ARG 14 2.477 -11.962 -2.846 115 2HG ARG 14 1HG ARG 14 0.899 -12.261 -3.580 116 1HD ARG 14 2HD ARG 14 3.586 -12.918 -4.785 117 2HD ARG 14 1HD ARG 14 2.446 -14.070 -4.089 118 HE ARG 14 HE ARG 14 1.180 -12.605 -6.135 119 1HH1 ARG 14 1HH1 ARG 14 3.595 -15.085 -5.685 120 2HH1 ARG 14 2HH1 ARG 14 3.309 -15.818 -7.227 121 1HH2 ARG 14 1HH2 ARG 14 0.803 -13.570 -8.164 122 2HH2 ARG 14 2HH2 ARG 14 1.725 -14.958 -8.635 123 H ALA 15 H ALA 15 2.798 -7.518 -4.368 124 HA ALA 15 HA ALA 15 4.923 -7.738 -2.509 125 1HB ALA 15 1HB ALA 15 4.617 -6.413 -4.826 126 2HB ALA 15 2HB ALA 15 5.873 -6.034 -3.647 127 3HB ALA 15 3HB ALA 15 4.386 -5.087 -3.686 128 H VAL 16 H VAL 16 1.940 -5.864 -2.554 129 HA VAL 16 HA VAL 16 2.589 -4.355 -0.209 130 HB VAL 16 HB VAL 16 -0.270 -4.540 -0.710 131 1HG1 VAL 16 1HG1 VAL 16 1.168 -2.762 0.468 132 2HG1 VAL 16 2HG1 VAL 16 -0.177 -2.227 -0.540 133 3HG1 VAL 16 3HG1 VAL 16 1.473 -2.153 -1.158 134 1HG2 VAL 16 1HG2 VAL 16 0.089 -4.986 -2.973 135 2HG2 VAL 16 2HG2 VAL 16 1.532 -3.974 -3.040 136 3HG2 VAL 16 3HG2 VAL 16 -0.062 -3.230 -2.912 137 H ALA 17 H ALA 17 0.864 -7.328 -0.893 138 HA ALA 17 HA ALA 17 -0.413 -7.652 1.591 139 1HB ALA 17 1HB ALA 17 0.101 -9.272 -0.766 140 2HB ALA 17 2HB ALA 17 -1.295 -9.251 0.311 141 3HB ALA 17 3HB ALA 17 0.121 -10.218 0.722 142 H LYS 18 H LYS 18 2.868 -8.215 0.564 143 HA LYS 18 HA LYS 18 3.536 -9.737 2.940 144 1HB LYS 18 2HB LYS 18 4.571 -9.675 0.401 145 2HB LYS 18 1HB LYS 18 5.750 -8.726 1.296 146 1HG LYS 18 2HG LYS 18 6.107 -10.552 2.838 147 2HG LYS 18 1HG LYS 18 4.845 -11.500 2.046 148 1HD LYS 18 2HD LYS 18 7.415 -10.563 0.770 149 2HD LYS 18 1HD LYS 18 7.079 -12.203 1.329 150 1HE LYS 18 2HE LYS 18 6.371 -12.597 -0.752 151 2HE LYS 18 1HE LYS 18 4.941 -11.667 -0.309 152 1HZ LYS 18 1HZ LYS 18 5.674 -10.666 -2.249 153 2HZ LYS 18 2HZ LYS 18 7.310 -10.792 -1.834 154 3HZ LYS 18 3HZ LYS 18 6.324 -9.663 -1.051 155 H ALA 19 H ALA 19 3.808 -6.471 1.740 156 HA ALA 19 HA ALA 19 5.724 -5.532 3.598 157 1HB ALA 19 1HB ALA 19 5.460 -3.521 2.604 158 2HB ALA 19 2HB ALA 19 3.698 -3.623 2.615 159 3HB ALA 19 3HB ALA 19 4.624 -4.483 1.385 160 H LEU 20 H LEU 20 2.172 -5.221 3.548 161 HA LEU 20 HA LEU 20 2.124 -4.160 6.226 162 1HB LEU 20 2HB LEU 20 -0.197 -5.140 4.566 163 2HB LEU 20 1HB LEU 20 -0.270 -4.082 5.963 164 HG LEU 20 HG LEU 20 1.256 -3.228 3.532 165 1HD1 LEU 20 1HD1 LEU 20 -1.036 -1.999 3.062 166 2HD1 LEU 20 2HD1 LEU 20 -1.690 -3.444 3.834 167 3HD1 LEU 20 3HD1 LEU 20 -0.683 -3.592 2.394 168 1HD2 LEU 20 1HD2 LEU 20 -0.369 -1.601 5.466 169 2HD2 LEU 20 2HD2 LEU 20 0.885 -1.053 4.354 170 3HD2 LEU 20 3HD2 LEU 20 1.318 -2.020 5.762 171 H GLY 21 H GLY 21 1.623 -7.265 4.687 172 1HA GLY 21 2HA GLY 21 2.043 -9.278 5.940 173 2HA GLY 21 1HA GLY 21 1.416 -8.467 7.368 174 H ILE 22 H ILE 22 -0.207 -8.199 4.301 175 HA ILE 22 HA ILE 22 -2.367 -9.906 5.357 176 HB ILE 22 HB ILE 22 -3.915 -8.588 3.954 177 1HG1 ILE 22 2HG1 ILE 22 -1.503 -6.816 3.485 178 2HG1 ILE 22 1HG1 ILE 22 -2.275 -7.834 2.273 179 1HG2 ILE 22 1HG2 ILE 22 -2.336 -7.412 6.168 180 2HG2 ILE 22 2HG2 ILE 22 -4.053 -7.802 6.082 181 3HG2 ILE 22 3HG2 ILE 22 -3.439 -6.347 5.298 182 1HD1 ILE 22 1HD1 ILE 22 -4.382 -6.370 3.122 183 2HD1 ILE 22 2HD1 ILE 22 -3.361 -5.953 1.745 184 3HD1 ILE 22 3HD1 ILE 22 -3.062 -5.216 3.320 185 H SER 23 H SER 23 -3.891 -10.484 3.335 186 HA SER 23 HA SER 23 -2.175 -12.050 1.575 187 1HB SER 23 2HB SER 23 -5.163 -12.121 2.056 188 2HB SER 23 1HB SER 23 -4.311 -13.183 0.935 189 HG SER 23 HG SER 23 -4.017 -14.399 2.616 190 H ASP 24 H ASP 24 -2.798 -12.251 -0.737 191 HA ASP 24 HA ASP 24 -2.719 -9.773 -2.028 192 1HB ASP 24 2HB ASP 24 -3.622 -12.400 -3.223 193 2HB ASP 24 1HB ASP 24 -2.987 -11.010 -4.097 194 H ALA 25 H ALA 25 -5.406 -11.793 -1.087 195 HA ALA 25 HA ALA 25 -7.406 -10.665 -2.703 196 1HB ALA 25 1HB ALA 25 -7.853 -11.731 0.073 197 2HB ALA 25 2HB ALA 25 -7.550 -12.776 -1.316 198 3HB ALA 25 3HB ALA 25 -8.971 -11.730 -1.291 199 H ALA 26 H ALA 26 -6.352 -9.846 0.594 200 HA ALA 26 HA ALA 26 -8.200 -7.812 1.091 201 1HB ALA 26 1HB ALA 26 -6.381 -6.954 2.675 202 2HB ALA 26 2HB ALA 26 -5.440 -8.347 2.141 203 3HB ALA 26 3HB ALA 26 -6.995 -8.587 2.939 204 H VAL 27 H VAL 27 -5.105 -7.753 -0.587 205 HA VAL 27 HA VAL 27 -4.929 -4.924 -0.810 206 HB VAL 27 HB VAL 27 -3.642 -7.022 -2.564 207 1HG1 VAL 27 1HG1 VAL 27 -1.973 -5.270 -3.014 208 2HG1 VAL 27 2HG1 VAL 27 -2.940 -4.127 -2.081 209 3HG1 VAL 27 3HG1 VAL 27 -3.584 -4.817 -3.572 210 1HG2 VAL 27 1HG2 VAL 27 -2.580 -5.679 -0.078 211 2HG2 VAL 27 2HG2 VAL 27 -1.707 -6.823 -1.098 212 3HG2 VAL 27 3HG2 VAL 27 -3.123 -7.353 -0.190 213 H SER 28 H SER 28 -6.124 -7.477 -2.960 214 HA SER 28 HA SER 28 -6.751 -5.717 -5.108 215 1HB SER 28 2HB SER 28 -8.299 -7.805 -5.685 216 2HB SER 28 1HB SER 28 -6.549 -7.868 -5.895 217 HG SER 28 HG SER 28 -7.868 -8.692 -3.525 218 H GLN 29 H GLN 29 -8.461 -6.845 -2.281 219 HA GLN 29 HA GLN 29 -11.050 -6.038 -3.115 220 1HB GLN 29 2HB GLN 29 -9.889 -7.320 -0.850 221 2HB GLN 29 1HB GLN 29 -10.870 -5.981 -0.273 222 1HG GLN 29 2HG GLN 29 -12.540 -7.454 -0.369 223 2HG GLN 29 1HG GLN 29 -12.530 -7.093 -2.095 224 1HE2 GLN 29 1HE2 GLN 29 -11.290 -9.302 0.346 225 2HE2 GLN 29 2HE2 GLN 29 -11.110 -10.657 -0.708 226 H TRP 30 H TRP 30 -8.331 -4.309 -2.002 227 HA TRP 30 HA TRP 30 -9.391 -2.198 -0.575 228 1HB TRP 30 2HB TRP 30 -7.072 -2.398 -2.473 229 2HB TRP 30 1HB TRP 30 -7.493 -0.856 -1.739 230 HD1 TRP 30 HD TRP 30 -8.329 -2.819 1.014 231 HE1 TRP 30 1HE TRP 30 -6.360 -3.271 2.609 232 HE3 TRP 30 3HE TRP 30 -4.463 -1.659 -2.122 233 HZ2 TRP 30 2HZ TRP 30 -3.540 -3.153 2.544 234 HZ3 TRP 30 3HZ TRP 30 -2.159 -1.855 -1.278 235 HH2 TRP 30 HH TRP 30 -1.710 -2.585 1.007 236 H LYS 31 H LYS 31 -10.100 -0.115 -1.131 237 HA LYS 31 HA LYS 31 -11.320 0.049 -3.808 238 1HB LYS 31 2HB LYS 31 -12.180 1.621 -1.385 239 2HB LYS 31 1HB LYS 31 -13.070 1.357 -2.880 240 1HG LYS 31 2HG LYS 31 -13.340 -0.995 -2.321 241 2HG LYS 31 1HG LYS 31 -12.420 -0.757 -0.836 242 1HD LYS 31 2HD LYS 31 -14.540 -0.561 0.001 243 2HD LYS 31 1HD LYS 31 -14.240 1.123 -0.440 244 1HE LYS 31 2HE LYS 31 -15.480 0.884 -2.466 245 2HE LYS 31 1HE LYS 31 -15.580 -0.865 -2.267 246 1HZ LYS 31 1HZ LYS 31 -17.520 0.795 -1.570 247 2HZ LYS 31 2HZ LYS 31 -16.680 0.734 -0.105 248 3HZ LYS 31 3HZ LYS 31 -17.260 -0.692 -0.804 249 H GLU 32 H GLU 32 -11.970 2.776 -3.736 250 HA GLU 32 HA GLU 32 -9.779 3.986 -4.856 251 1HB GLU 32 2HB GLU 32 -12.330 4.934 -3.722 252 2HB GLU 32 1HB GLU 32 -11.070 6.151 -3.849 253 1HG GLU 32 2HG GLU 32 -12.160 6.363 -5.859 254 2HG GLU 32 1HG GLU 32 -10.820 5.300 -6.276 255 H VAL 33 H VAL 33 -10.540 3.617 -1.486 256 HA VAL 33 HA VAL 33 -8.003 4.918 -0.808 257 HB VAL 33 HB VAL 33 -10.500 5.230 0.849 258 1HG1 VAL 33 1HG1 VAL 33 -7.956 5.391 1.686 259 2HG1 VAL 33 2HG1 VAL 33 -9.268 6.357 2.364 260 3HG1 VAL 33 3HG1 VAL 33 -8.204 7.050 1.140 261 1HG2 VAL 33 1HG2 VAL 33 -9.203 7.260 -0.962 262 2HG2 VAL 33 2HG2 VAL 33 -10.610 7.522 0.064 263 3HG2 VAL 33 3HG2 VAL 33 -10.710 6.412 -1.302 264 H ILE 34 H ILE 34 -6.740 3.422 0.070 265 HA ILE 34 HA ILE 34 -7.536 0.910 0.960 266 HB ILE 34 HB ILE 34 -5.308 0.792 2.082 267 1HG1 ILE 34 2HG1 ILE 34 -4.993 3.616 1.045 268 2HG1 ILE 34 1HG1 ILE 34 -5.216 3.192 2.738 269 1HG2 ILE 34 1HG2 ILE 34 -5.197 1.924 -0.707 270 2HG2 ILE 34 2HG2 ILE 34 -5.659 0.267 -0.317 271 3HG2 ILE 34 3HG2 ILE 34 -4.031 0.839 0.049 272 1HD1 ILE 34 1HD1 ILE 34 -2.870 3.648 2.127 273 2HD1 ILE 34 2HD1 ILE 34 -2.918 2.261 1.037 274 3HD1 ILE 34 3HD1 ILE 34 -3.121 2.027 2.774 275 HA PRO 35 HA PRO 35 -9.146 1.066 5.049 276 1HB PRO 35 2HB PRO 35 -6.735 -0.454 5.947 277 2HB PRO 35 1HB PRO 35 -8.447 -0.777 6.252 278 1HG PRO 35 2HG PRO 35 -7.114 -2.198 4.444 279 2HG PRO 35 1HG PRO 35 -8.787 -1.691 4.143 280 1HD PRO 35 2HD PRO 35 -6.249 -0.626 3.005 281 2HD PRO 35 1HD PRO 35 -7.852 -0.765 2.257 282 H GLU 36 H GLU 36 -8.655 1.763 7.295 283 HA GLU 36 HA GLU 36 -7.109 4.160 7.265 284 1HB GLU 36 2HB GLU 36 -9.185 3.973 8.552 285 2HB GLU 36 1HB GLU 36 -8.458 2.731 9.562 286 1HG GLU 36 2HG GLU 36 -6.687 4.538 10.092 287 2HG GLU 36 1HG GLU 36 -7.897 5.663 9.477 288 H LYS 37 H LYS 37 -6.741 1.014 8.871 289 HA LYS 37 HA LYS 37 -4.240 1.782 10.080 290 1HB LYS 37 2HB LYS 37 -4.189 -0.478 10.965 291 2HB LYS 37 1HB LYS 37 -5.785 0.221 11.200 292 1HG LYS 37 2HG LYS 37 -5.470 -1.297 8.713 293 2HG LYS 37 1HG LYS 37 -5.305 -2.247 10.190 294 1HD LYS 37 2HD LYS 37 -7.502 -2.185 10.555 295 2HD LYS 37 1HD LYS 37 -7.537 -0.429 10.385 296 1HE LYS 37 2HE LYS 37 -8.262 -0.525 8.258 297 2HE LYS 37 1HE LYS 37 -7.226 -1.895 7.863 298 1HZ LYS 37 1HZ LYS 37 -9.483 -2.591 7.715 299 2HZ LYS 37 2HZ LYS 37 -9.847 -1.981 9.251 300 3HZ LYS 37 3HZ LYS 37 -8.821 -3.316 9.094 301 H ASP 38 H ASP 38 -5.159 0.605 7.031 302 HA ASP 38 HA ASP 38 -2.747 -0.877 6.504 303 1HB ASP 38 2HB ASP 38 -5.116 -0.035 4.866 304 2HB ASP 38 1HB ASP 38 -3.667 -0.638 4.068 305 H ALA 39 H ALA 39 -4.075 2.259 5.476 306 HA ALA 39 HA ALA 39 -1.859 3.044 3.927 307 1HB ALA 39 1HB ALA 39 -2.981 4.982 3.599 308 2HB ALA 39 2HB ALA 39 -3.389 5.163 5.305 309 3HB ALA 39 3HB ALA 39 -4.315 4.058 4.289 310 H TYR 40 H TYR 40 -2.460 3.109 7.353 311 HA TYR 40 HA TYR 40 -0.562 5.039 8.110 312 1HB TYR 40 2HB TYR 40 -2.278 4.240 9.649 313 2HB TYR 40 1HB TYR 40 -1.575 2.622 9.623 314 HD1 TYR 40 1HD TYR 40 0.169 2.045 11.093 315 HD2 TYR 40 2HD TYR 40 -0.918 6.133 10.632 316 HE1 TYR 40 1HE TYR 40 1.607 2.637 12.999 317 HE2 TYR 40 2HE TYR 40 0.517 6.736 12.536 318 HH TYR 40 HH TYR 40 2.776 4.564 13.896 319 H ARG 41 H ARG 41 -0.292 1.481 8.111 320 HA ARG 41 HA ARG 41 2.438 1.398 8.765 321 1HB ARG 41 2HB ARG 41 0.913 -0.656 7.159 322 2HB ARG 41 1HB ARG 41 2.373 -0.922 8.100 323 1HG ARG 41 2HG ARG 41 1.119 -0.386 10.151 324 2HG ARG 41 1HG ARG 41 -0.344 -0.206 9.182 325 1HD ARG 41 2HD ARG 41 -0.518 -2.454 8.777 326 2HD ARG 41 1HD ARG 41 1.217 -2.726 8.930 327 HE ARG 41 HE ARG 41 0.946 -3.042 11.188 328 1HH1 ARG 41 1HH1 ARG 41 -1.991 -1.710 9.854 329 2HH1 ARG 41 2HH1 ARG 41 -2.911 -1.970 11.296 330 1HH2 ARG 41 1HH2 ARG 41 -0.265 -3.385 13.086 331 2HH2 ARG 41 2HH2 ARG 41 -1.933 -2.919 13.131 332 H LEU 42 H LEU 42 0.776 1.788 5.719 333 HA LEU 42 HA LEU 42 2.816 1.136 3.938 334 1HB LEU 42 2HB LEU 42 0.433 2.923 3.833 335 2HB LEU 42 1HB LEU 42 1.621 3.055 2.550 336 HG LEU 42 HG LEU 42 0.058 0.584 3.299 337 1HD1 LEU 42 1HD1 LEU 42 -0.828 2.663 1.858 338 2HD1 LEU 42 2HD1 LEU 42 -1.294 0.993 1.538 339 3HD1 LEU 42 3HD1 LEU 42 -0.015 1.750 0.588 340 1HD2 LEU 42 1HD2 LEU 42 1.222 -0.059 0.980 341 2HD2 LEU 42 2HD2 LEU 42 1.935 -0.436 2.549 342 3HD2 LEU 42 3HD2 LEU 42 2.480 0.980 1.649 343 H GLU 43 H GLU 43 2.059 4.277 5.426 344 HA GLU 43 HA GLU 43 3.975 5.838 4.195 345 1HB GLU 43 2HB GLU 43 2.190 6.657 5.727 346 2HB GLU 43 1HB GLU 43 3.123 6.048 7.086 347 1HG GLU 43 2HG GLU 43 5.006 7.544 6.229 348 2HG GLU 43 1HG GLU 43 3.768 8.315 5.237 349 H ILE 44 H ILE 44 4.375 3.470 6.720 350 HA ILE 44 HA ILE 44 7.088 4.306 7.315 351 HB ILE 44 HB ILE 44 5.650 1.832 8.266 352 1HG1 ILE 44 2HG1 ILE 44 5.545 4.677 9.142 353 2HG1 ILE 44 1HG1 ILE 44 4.289 3.446 9.175 354 1HG2 ILE 44 1HG2 ILE 44 7.312 1.835 10.047 355 2HG2 ILE 44 2HG2 ILE 44 8.059 3.280 9.365 356 3HG2 ILE 44 3HG2 ILE 44 8.091 1.763 8.466 357 1HD1 ILE 44 1HD1 ILE 44 5.354 2.421 11.119 358 2HD1 ILE 44 2HD1 ILE 44 4.935 4.108 11.415 359 3HD1 ILE 44 3HD1 ILE 44 6.608 3.660 11.080 360 H VAL 45 H VAL 45 5.459 1.554 5.787 361 HA VAL 45 HA VAL 45 7.762 0.058 5.199 362 HB VAL 45 HB VAL 45 5.159 -0.475 5.017 363 1HG1 VAL 45 1HG1 VAL 45 5.903 -0.101 2.126 364 2HG1 VAL 45 2HG1 VAL 45 4.893 1.022 3.037 365 3HG1 VAL 45 3HG1 VAL 45 4.355 -0.638 2.782 366 1HG2 VAL 45 1HG2 VAL 45 6.728 -2.009 3.054 367 2HG2 VAL 45 2HG2 VAL 45 5.826 -2.557 4.468 368 3HG2 VAL 45 3HG2 VAL 45 7.436 -1.866 4.664 369 H THR 46 H THR 46 6.076 2.577 3.421 370 HA THR 46 HA THR 46 7.727 2.328 1.086 371 HB THR 46 HB THR 46 6.542 4.470 0.437 372 HG1 THR 46 1HG THR 46 5.523 5.468 1.946 373 1HG2 THR 46 1HG2 THR 46 4.221 2.932 1.013 374 2HG2 THR 46 2HG2 THR 46 5.535 1.854 0.538 375 3HG2 THR 46 3HG2 THR 46 5.046 3.171 -0.528 376 H ALA 47 H ALA 47 8.511 3.416 4.046 377 HA ALA 47 HA ALA 47 10.258 4.642 4.836 378 1HB ALA 47 1HB ALA 47 12.069 5.122 3.467 379 2HB ALA 47 2HB ALA 47 11.056 5.401 2.052 380 3HB ALA 47 3HB ALA 47 11.308 3.761 2.646 381 H GLY 48 H GLY 48 7.620 5.798 4.250 382 1HA GLY 48 2HA GLY 48 6.762 7.898 4.778 383 2HA GLY 48 1HA GLY 48 8.376 8.572 4.611 384 H ALA 49 H ALA 49 7.155 6.607 2.040 385 HA ALA 49 HA ALA 49 7.443 8.680 0.138 386 1HB ALA 49 1HB ALA 49 6.777 7.116 -1.480 387 2HB ALA 49 2HB ALA 49 5.841 6.181 -0.313 388 3HB ALA 49 3HB ALA 49 7.603 6.165 -0.244 389 H LEU 50 H LEU 50 4.474 6.927 1.063 390 HA LEU 50 HA LEU 50 2.896 9.225 0.180 391 1HB LEU 50 2HB LEU 50 2.006 6.463 1.014 392 2HB LEU 50 1HB LEU 50 0.970 7.717 0.361 393 HG LEU 50 HG LEU 50 3.284 6.914 -1.307 394 1HD1 LEU 50 1HD1 LEU 50 1.938 4.862 -0.209 395 2HD1 LEU 50 2HD1 LEU 50 2.613 4.827 -1.837 396 3HD1 LEU 50 3HD1 LEU 50 0.905 5.198 -1.598 397 1HD2 LEU 50 1HD2 LEU 50 1.923 7.545 -3.058 398 2HD2 LEU 50 2HD2 LEU 50 1.384 8.628 -1.776 399 3HD2 LEU 50 3HD2 LEU 50 0.440 7.192 -2.173 400 H LYS 51 H LYS 51 2.151 10.656 1.593 401 HA LYS 51 HA LYS 51 2.439 10.204 4.423 402 1HB LYS 51 2HB LYS 51 1.435 12.530 4.568 403 2HB LYS 51 1HB LYS 51 2.960 12.396 3.705 404 1HG LYS 51 2HG LYS 51 0.659 12.094 1.956 405 2HG LYS 51 1HG LYS 51 0.679 13.642 2.805 406 1HD LYS 51 2HD LYS 51 3.147 13.766 2.071 407 2HD LYS 51 1HD LYS 51 2.716 12.497 0.924 408 1HE LYS 51 2HE LYS 51 2.582 14.810 -0.002 409 2HE LYS 51 1HE LYS 51 1.080 13.893 -0.116 410 1HZ LYS 51 1HZ LYS 51 0.119 15.124 1.598 411 2HZ LYS 51 2HZ LYS 51 0.938 16.285 0.682 412 3HZ LYS 51 3HZ LYS 51 1.601 15.735 2.138 413 H TYR 52 H TYR 52 0.819 10.089 5.960 414 HA TYR 52 HA TYR 52 -1.607 8.844 5.109 415 1HB TYR 52 2HB TYR 52 -0.279 8.409 7.268 416 2HB TYR 52 1HB TYR 52 -1.066 9.854 7.894 417 HD1 TYR 52 1HD TYR 52 -1.552 6.377 6.851 418 HD2 TYR 52 2HD TYR 52 -3.439 9.861 8.402 419 HE1 TYR 52 1HE TYR 52 -3.508 5.029 7.485 420 HE2 TYR 52 2HE TYR 52 -5.399 8.522 9.040 421 HH TYR 52 HH TYR 52 -6.265 5.870 7.908 422 H GLN 53 H GLN 53 -3.752 9.573 5.515 423 HA GLN 53 HA GLN 53 -4.100 12.421 6.059 424 1HB GLN 53 2HB GLN 53 -4.974 11.021 3.539 425 2HB GLN 53 1HB GLN 53 -5.717 12.517 4.086 426 1HG GLN 53 2HG GLN 53 -3.809 13.761 3.706 427 2HG GLN 53 1HG GLN 53 -2.755 12.349 3.764 428 1HE2 GLN 53 1HE2 GLN 53 -2.911 14.411 1.742 429 2HE2 GLN 53 2HE2 GLN 53 -3.295 13.617 0.257 430 H GLU 54 H GLU 54 -5.130 11.939 7.971 431 HA GLU 54 HA GLU 54 -7.077 9.994 8.389 432 1HB GLU 54 2HB GLU 54 -7.759 11.388 10.343 433 2HB GLU 54 1HB GLU 54 -6.031 11.073 10.257 434 1HG GLU 54 2HG GLU 54 -6.186 13.413 8.911 435 2HG GLU 54 1HG GLU 54 -7.508 13.600 10.063 436 H ASN 55 H ASN 55 -7.303 12.970 6.691 437 HA ASN 55 HA ASN 55 -9.870 13.821 7.008 438 1HB ASN 55 2HB ASN 55 -8.172 13.653 4.526 439 2HB ASN 55 1HB ASN 55 -9.767 14.400 4.510 440 1HD2 ASN 55 1HD2 ASN 55 -6.564 14.999 4.800 441 2HD2 ASN 55 2HD2 ASN 55 -6.619 16.502 5.649 442 H ALA 56 H ALA 56 -9.096 11.797 4.189 443 HA ALA 56 HA ALA 56 -11.700 11.007 3.670 444 1HB ALA 56 1HB ALA 56 -9.481 10.747 2.299 445 2HB ALA 56 2HB ALA 56 -10.840 9.662 2.031 446 3HB ALA 56 3HB ALA 56 -9.483 9.139 3.022 447 H TYR 57 H TYR 57 -9.404 9.724 5.947 448 HA TYR 57 HA TYR 57 -10.850 7.276 6.397 449 1HB TYR 57 2HB TYR 57 -8.650 8.521 8.050 450 2HB TYR 57 1HB TYR 57 -9.217 6.857 8.147 451 HD1 TYR 57 1HD TYR 57 -6.526 8.600 7.160 452 HD2 TYR 57 2HD TYR 57 -9.348 5.895 5.481 453 HE1 TYR 57 1HE TYR 57 -4.875 7.942 5.459 454 HE2 TYR 57 2HE TYR 57 -7.706 5.231 3.777 455 HH TYR 57 HH TYR 57 -5.716 6.027 2.725 456 H ARG 58 H ARG 58 -11.230 10.480 7.422 457 HA ARG 58 HA ARG 58 -12.300 9.900 10.030 458 1HB ARG 58 2HB ARG 58 -11.200 12.111 9.066 459 2HB ARG 58 1HB ARG 58 -12.870 12.468 8.621 460 1HG ARG 58 2HG ARG 58 -12.000 11.753 11.412 461 2HG ARG 58 1HG ARG 58 -12.140 13.407 10.813 462 1HD ARG 58 2HD ARG 58 -14.510 13.048 10.347 463 2HD ARG 58 1HD ARG 58 -14.370 11.379 10.897 464 HE ARG 58 HE ARG 58 -13.560 13.292 12.873 465 1HH1 ARG 58 1HH1 ARG 58 -16.290 11.624 11.483 466 2HH1 ARG 58 2HH1 ARG 58 -17.270 11.782 12.903 467 1HH2 ARG 58 1HH2 ARG 58 -14.840 13.502 14.742 468 2HH2 ARG 58 2HH2 ARG 58 -16.450 12.849 14.753 469 H GLN 59 H GLN 59 -13.960 8.415 9.650 470 HA GLN 59 HA GLN 59 -16.370 9.584 8.417 471 1HB GLN 59 2HB GLN 59 -15.000 7.084 7.807 472 2HB GLN 59 1HB GLN 59 -16.690 6.831 8.221 473 1HG GLN 59 2HG GLN 59 -17.110 7.275 6.084 474 2HG GLN 59 1HG GLN 59 -16.820 8.961 6.512 475 1HE2 GLN 59 1HE2 GLN 59 -15.990 9.606 4.586 476 2HE2 GLN 59 2HE2 GLN 59 -14.480 9.040 3.956 477 H ALA 60 H ALA 60 -17.920 9.871 9.859 478 HA ALA 60 HA ALA 60 -17.810 8.675 12.460 479 1HB ALA 60 1HB ALA 60 -18.760 11.006 11.649 480 2HB ALA 60 2HB ALA 60 -19.400 10.186 13.073 481 3HB ALA 60 3HB ALA 60 -20.260 10.077 11.533 482 H ALA 61 H ALA 61 -20.040 7.837 13.345 483 HA ALA 61 HA ALA 61 -21.070 5.831 11.443 484 1HB ALA 61 1HB ALA 61 -21.180 4.204 13.190 485 2HB ALA 61 2HB ALA 61 -20.720 5.398 14.404 486 3HB ALA 61 3HB ALA 61 -19.550 4.884 13.185 Start of MODEL 7 1 1H MET 1 1HT MET 1 -5.871 7.755 1.357 2 2H MET 1 2HT MET 1 -4.224 8.142 1.646 3 3H MET 1 3HT MET 1 -4.700 6.508 1.442 4 HA MET 1 HA MET 1 -4.940 8.602 -0.609 5 1HB MET 1 2HB MET 1 -3.027 7.224 -1.630 6 2HB MET 1 1HB MET 1 -2.629 8.300 -0.298 7 1HG MET 1 2HG MET 1 -2.760 6.363 1.240 8 2HG MET 1 1HG MET 1 -3.014 5.320 -0.157 9 1HE MET 1 1HE MET 1 -1.093 5.128 2.107 10 2HE MET 1 2HE MET 1 0.070 6.451 2.163 11 3HE MET 1 3HE MET 1 0.551 4.883 1.516 12 H TYR 2 H TYR 2 -4.660 7.177 -2.790 13 HA TYR 2 HA TYR 2 -6.994 5.448 -2.778 14 1HB TYR 2 2HB TYR 2 -5.500 6.997 -4.791 15 2HB TYR 2 1HB TYR 2 -6.137 5.460 -5.367 16 HD1 TYR 2 1HD TYR 2 -7.588 7.860 -2.913 17 HD2 TYR 2 2HD TYR 2 -7.939 6.017 -6.732 18 HE1 TYR 2 1HE TYR 2 -9.801 8.892 -3.201 19 HE2 TYR 2 2HE TYR 2 -10.150 7.045 -7.031 20 HH TYR 2 HH TYR 2 -11.450 8.885 -6.211 21 H LYS 3 H LYS 3 -6.978 3.378 -3.903 22 HA LYS 3 HA LYS 3 -4.871 1.706 -2.989 23 1HB LYS 3 2HB LYS 3 -7.149 0.878 -3.133 24 2HB LYS 3 1HB LYS 3 -7.175 1.155 -4.868 25 1HG LYS 3 2HG LYS 3 -4.984 -0.492 -4.498 26 2HG LYS 3 1HG LYS 3 -6.182 -1.112 -3.360 27 1HD LYS 3 2HD LYS 3 -7.753 -0.776 -5.503 28 2HD LYS 3 1HD LYS 3 -6.216 -1.055 -6.322 29 1HE LYS 3 2HE LYS 3 -7.411 -2.862 -4.223 30 2HE LYS 3 1HE LYS 3 -7.522 -3.126 -5.962 31 1HZ LYS 3 1HZ LYS 3 -5.367 -3.754 -6.100 32 2HZ LYS 3 2HZ LYS 3 -5.628 -4.202 -4.490 33 3HZ LYS 3 3HZ LYS 3 -4.855 -2.741 -4.845 34 H LYS 4 H LYS 4 -5.596 3.259 -6.029 35 HA LYS 4 HA LYS 4 -3.951 1.727 -7.714 36 1HB LYS 4 2HB LYS 4 -5.707 3.509 -8.322 37 2HB LYS 4 1HB LYS 4 -4.416 4.678 -8.074 38 1HG LYS 4 2HG LYS 4 -3.387 4.146 -9.996 39 2HG LYS 4 1HG LYS 4 -3.726 2.423 -9.823 40 1HD LYS 4 2HD LYS 4 -5.727 2.567 -10.912 41 2HD LYS 4 1HD LYS 4 -6.017 4.226 -10.384 42 1HE LYS 4 2HE LYS 4 -3.728 3.809 -12.204 43 2HE LYS 4 1HE LYS 4 -5.329 3.561 -12.898 44 1HZ LYS 4 1HZ LYS 4 -4.598 6.001 -11.385 45 2HZ LYS 4 2HZ LYS 4 -5.950 5.757 -12.372 46 3HZ LYS 4 3HZ LYS 4 -4.411 5.873 -13.061 47 H ASP 5 H ASP 5 -3.276 4.576 -5.733 48 HA ASP 5 HA ASP 5 -0.671 5.071 -6.648 49 1HB ASP 5 2HB ASP 5 -2.257 6.444 -5.058 50 2HB ASP 5 1HB ASP 5 -1.406 5.569 -3.789 51 H VAL 6 H VAL 6 -1.817 3.131 -3.895 52 HA VAL 6 HA VAL 6 0.642 2.365 -2.874 53 HB VAL 6 HB VAL 6 -1.709 0.499 -2.899 54 1HG1 VAL 6 1HG1 VAL 6 0.163 -0.373 -1.782 55 2HG1 VAL 6 2HG1 VAL 6 -0.911 0.223 -0.516 56 3HG1 VAL 6 3HG1 VAL 6 0.501 1.166 -0.992 57 1HG2 VAL 6 1HG2 VAL 6 -2.953 2.299 -2.274 58 2HG2 VAL 6 2HG2 VAL 6 -1.553 3.205 -1.699 59 3HG2 VAL 6 3HG2 VAL 6 -2.241 1.920 -0.705 60 H ILE 7 H ILE 7 -1.339 0.853 -5.395 61 HA ILE 7 HA ILE 7 0.390 -1.376 -5.774 62 HB ILE 7 HB ILE 7 -1.705 -0.210 -7.614 63 1HG1 ILE 7 2HG1 ILE 7 -1.802 -2.525 -5.668 64 2HG1 ILE 7 1HG1 ILE 7 -2.612 -0.973 -5.474 65 1HG2 ILE 7 1HG2 ILE 7 -0.309 -2.881 -7.726 66 2HG2 ILE 7 2HG2 ILE 7 -0.104 -1.546 -8.862 67 3HG2 ILE 7 3HG2 ILE 7 -1.654 -2.380 -8.752 68 1HD1 ILE 7 1HD1 ILE 7 -3.397 -2.042 -7.972 69 2HD1 ILE 7 2HD1 ILE 7 -4.375 -1.783 -6.526 70 3HD1 ILE 7 3HD1 ILE 7 -3.542 -3.319 -6.764 71 H ASP 8 H ASP 8 0.145 1.817 -7.218 72 HA ASP 8 HA ASP 8 2.022 1.279 -9.314 73 1HB ASP 8 2HB ASP 8 0.251 3.413 -8.583 74 2HB ASP 8 1HB ASP 8 1.864 4.074 -8.837 75 H HIS 9 H HIS 9 2.197 2.231 -6.008 76 HA HIS 9 HA HIS 9 4.862 3.315 -6.217 77 1HB HIS 9 2HB HIS 9 3.443 4.312 -4.562 78 2HB HIS 9 1HB HIS 9 3.059 2.744 -3.863 79 HD1 HIS 9 1HD HIS 9 5.073 5.591 -3.227 80 HD2 HIS 9 2HD HIS 9 5.632 1.493 -2.821 81 HE1 HIS 9 1HE HIS 9 6.964 5.327 -1.589 82 HE2 HIS 9 2HE HIS 9 7.240 2.840 -1.310 83 H PHE 10 H PHE 10 3.341 0.280 -5.475 84 HA PHE 10 HA PHE 10 5.829 -0.854 -4.471 85 1HB PHE 10 2HB PHE 10 3.001 -1.863 -4.636 86 2HB PHE 10 1HB PHE 10 4.339 -2.954 -4.287 87 HD1 PHE 10 1HD PHE 10 4.222 -3.539 -2.065 88 HD2 PHE 10 2HD PHE 10 3.627 0.526 -3.166 89 HE1 PHE 10 1HE PHE 10 4.110 -2.915 0.311 90 HE2 PHE 10 2HE PHE 10 3.512 1.158 -0.794 91 HZ PHE 10 HZ PHE 10 3.756 -0.564 0.951 92 H GLY 11 H GLY 11 3.502 -1.418 -7.101 93 1HA GLY 11 2HA GLY 11 4.326 -1.812 -9.344 94 2HA GLY 11 1HA GLY 11 5.701 -2.645 -8.637 95 H THR 12 H THR 12 3.941 -4.048 -6.697 96 HA THR 12 HA THR 12 2.408 -5.802 -8.468 97 HB THR 12 HB THR 12 3.481 -7.720 -6.991 98 HG1 THR 12 1HG THR 12 5.538 -7.293 -6.375 99 1HG2 THR 12 1HG2 THR 12 3.716 -7.882 -9.316 100 2HG2 THR 12 2HG2 THR 12 5.357 -7.931 -8.670 101 3HG2 THR 12 3HG2 THR 12 4.739 -6.447 -9.396 102 H GLN 13 H GLN 13 1.012 -7.318 -7.254 103 HA GLN 13 HA GLN 13 -0.284 -5.937 -5.095 104 1HB GLN 13 2HB GLN 13 -0.893 -8.167 -6.888 105 2HB GLN 13 1HB GLN 13 -1.474 -8.425 -5.249 106 1HG GLN 13 2HG GLN 13 -2.817 -6.490 -5.315 107 2HG GLN 13 1HG GLN 13 -2.039 -5.910 -6.786 108 1HE2 GLN 13 1HE2 GLN 13 -4.750 -6.060 -6.652 109 2HE2 GLN 13 2HE2 GLN 13 -5.325 -7.327 -7.675 110 H ARG 14 H ARG 14 1.270 -9.128 -5.427 111 HA ARG 14 HA ARG 14 1.044 -10.012 -2.828 112 1HB ARG 14 2HB ARG 14 2.366 -10.858 -5.119 113 2HB ARG 14 1HB ARG 14 3.659 -10.640 -3.948 114 1HG ARG 14 2HG ARG 14 1.964 -11.989 -2.411 115 2HG ARG 14 1HG ARG 14 1.433 -12.589 -3.983 116 1HD ARG 14 2HD ARG 14 4.344 -12.524 -3.591 117 2HD ARG 14 1HD ARG 14 3.476 -13.643 -2.540 118 HE ARG 14 HE ARG 14 2.532 -14.028 -5.127 119 1HH1 ARG 14 1HH1 ARG 14 5.521 -14.397 -3.365 120 2HH1 ARG 14 2HH1 ARG 14 6.090 -15.699 -4.354 121 1HH2 ARG 14 1HH2 ARG 14 3.279 -15.741 -6.431 122 2HH2 ARG 14 2HH2 ARG 14 4.818 -16.463 -6.096 123 H ALA 15 H ALA 15 3.211 -7.614 -4.142 124 HA ALA 15 HA ALA 15 5.066 -7.521 -2.015 125 1HB ALA 15 1HB ALA 15 5.130 -6.450 -4.399 126 2HB ALA 15 2HB ALA 15 5.959 -5.670 -3.051 127 3HB ALA 15 3HB ALA 15 4.387 -5.074 -3.582 128 H VAL 16 H VAL 16 2.148 -5.605 -2.681 129 HA VAL 16 HA VAL 16 2.292 -3.943 -0.439 130 HB VAL 16 HB VAL 16 -0.436 -4.709 -1.270 131 1HG1 VAL 16 1HG1 VAL 16 -0.563 -2.204 -1.503 132 2HG1 VAL 16 2HG1 VAL 16 1.102 -2.154 -0.922 133 3HG1 VAL 16 3HG1 VAL 16 -0.172 -2.809 0.107 134 1HG2 VAL 16 1HG2 VAL 16 -0.120 -3.291 -3.396 135 2HG2 VAL 16 2HG2 VAL 16 0.390 -4.978 -3.437 136 3HG2 VAL 16 3HG2 VAL 16 1.590 -3.698 -3.241 137 H ALA 17 H ALA 17 1.037 -7.186 -0.847 138 HA ALA 17 HA ALA 17 -0.242 -7.278 1.721 139 1HB ALA 17 1HB ALA 17 0.431 -9.839 0.468 140 2HB ALA 17 2HB ALA 17 -0.484 -8.740 -0.563 141 3HB ALA 17 3HB ALA 17 -1.125 -9.212 1.011 142 H LYS 18 H LYS 18 2.924 -7.982 0.468 143 HA LYS 18 HA LYS 18 3.744 -9.540 2.751 144 1HB LYS 18 2HB LYS 18 4.686 -9.875 0.465 145 2HB LYS 18 1HB LYS 18 5.452 -8.298 0.589 146 1HG LYS 18 2HG LYS 18 6.903 -9.021 2.294 147 2HG LYS 18 1HG LYS 18 5.963 -10.487 2.579 148 1HD LYS 18 2HD LYS 18 7.314 -9.929 -0.049 149 2HD LYS 18 1HD LYS 18 8.142 -10.741 1.282 150 1HE LYS 18 2HE LYS 18 6.798 -12.612 1.153 151 2HE LYS 18 1HE LYS 18 5.475 -11.736 0.384 152 1HZ LYS 18 1HZ LYS 18 7.967 -12.750 -0.833 153 2HZ LYS 18 2HZ LYS 18 7.087 -11.506 -1.569 154 3HZ LYS 18 3HZ LYS 18 6.366 -13.014 -1.316 155 H ALA 19 H ALA 19 3.832 -6.200 1.770 156 HA ALA 19 HA ALA 19 5.829 -5.336 3.599 157 1HB ALA 19 1HB ALA 19 3.723 -3.935 1.994 158 2HB ALA 19 2HB ALA 19 5.478 -3.879 1.822 159 3HB ALA 19 3HB ALA 19 4.698 -3.058 3.174 160 H LEU 20 H LEU 20 2.268 -5.144 3.683 161 HA LEU 20 HA LEU 20 2.276 -4.179 6.396 162 1HB LEU 20 2HB LEU 20 -0.066 -5.200 4.797 163 2HB LEU 20 1HB LEU 20 -0.123 -4.181 6.222 164 HG LEU 20 HG LEU 20 1.197 -3.267 3.679 165 1HD1 LEU 20 1HD1 LEU 20 -1.126 -1.951 3.623 166 2HD1 LEU 20 2HD1 LEU 20 -1.677 -3.466 4.337 167 3HD1 LEU 20 3HD1 LEU 20 -0.864 -3.473 2.772 168 1HD2 LEU 20 1HD2 LEU 20 -0.033 -1.737 5.967 169 2HD2 LEU 20 2HD2 LEU 20 0.867 -1.070 4.604 170 3HD2 LEU 20 3HD2 LEU 20 1.688 -2.077 5.796 171 H GLY 21 H GLY 21 1.790 -7.245 4.764 172 1HA GLY 21 2HA GLY 21 2.382 -9.269 5.966 173 2HA GLY 21 1HA GLY 21 1.701 -8.541 7.414 174 H ILE 22 H ILE 22 0.041 -8.212 4.387 175 HA ILE 22 HA ILE 22 -2.000 -10.103 5.353 176 HB ILE 22 HB ILE 22 -3.627 -8.819 4.014 177 1HG1 ILE 22 2HG1 ILE 22 -1.310 -6.919 3.583 178 2HG1 ILE 22 1HG1 ILE 22 -2.077 -7.907 2.342 179 1HG2 ILE 22 1HG2 ILE 22 -3.506 -6.702 5.440 180 2HG2 ILE 22 2HG2 ILE 22 -2.055 -7.414 6.146 181 3HG2 ILE 22 3HG2 ILE 22 -3.601 -8.250 6.282 182 1HD1 ILE 22 1HD1 ILE 22 -4.220 -6.669 2.910 183 2HD1 ILE 22 2HD1 ILE 22 -2.963 -5.762 2.069 184 3HD1 ILE 22 3HD1 ILE 22 -3.197 -5.544 3.803 185 H SER 23 H SER 23 -3.498 -10.625 3.259 186 HA SER 23 HA SER 23 -1.678 -12.020 1.448 187 1HB SER 23 2HB SER 23 -3.730 -13.274 0.765 188 2HB SER 23 1HB SER 23 -3.370 -13.406 2.487 189 HG SER 23 HG SER 23 -5.504 -12.215 1.209 190 H ASP 24 H ASP 24 -2.154 -12.085 -0.860 191 HA ASP 24 HA ASP 24 -2.351 -9.547 -2.002 192 1HB ASP 24 2HB ASP 24 -2.698 -10.834 -4.169 193 2HB ASP 24 1HB ASP 24 -1.249 -11.237 -3.253 194 H ALA 25 H ALA 25 -4.812 -11.899 -1.241 195 HA ALA 25 HA ALA 25 -6.885 -10.920 -2.866 196 1HB ALA 25 1HB ALA 25 -6.855 -13.107 -1.636 197 2HB ALA 25 2HB ALA 25 -8.365 -12.206 -1.518 198 3HB ALA 25 3HB ALA 25 -7.232 -12.208 -0.167 199 H ALA 26 H ALA 26 -5.934 -10.114 0.454 200 HA ALA 26 HA ALA 26 -8.036 -8.370 1.054 201 1HB ALA 26 1HB ALA 26 -6.509 -7.426 2.756 202 2HB ALA 26 2HB ALA 26 -5.189 -8.357 2.050 203 3HB ALA 26 3HB ALA 26 -6.561 -9.189 2.778 204 H VAL 27 H VAL 27 -4.870 -7.730 -0.415 205 HA VAL 27 HA VAL 27 -5.109 -4.939 -0.583 206 HB VAL 27 HB VAL 27 -3.580 -6.786 -2.427 207 1HG1 VAL 27 1HG1 VAL 27 -2.126 -4.739 -2.707 208 2HG1 VAL 27 2HG1 VAL 27 -3.428 -3.818 -1.954 209 3HG1 VAL 27 3HG1 VAL 27 -3.714 -4.666 -3.473 210 1HG2 VAL 27 1HG2 VAL 27 -1.657 -6.261 -0.966 211 2HG2 VAL 27 2HG2 VAL 27 -2.932 -7.143 -0.126 212 3HG2 VAL 27 3HG2 VAL 27 -2.748 -5.405 0.123 213 H SER 28 H SER 28 -6.061 -7.506 -2.828 214 HA SER 28 HA SER 28 -6.856 -5.785 -4.932 215 1HB SER 28 2HB SER 28 -8.249 -7.882 -5.596 216 2HB SER 28 1HB SER 28 -6.489 -7.991 -5.611 217 HG SER 28 HG SER 28 -6.529 -9.189 -3.805 218 H GLN 29 H GLN 29 -8.426 -6.914 -2.037 219 HA GLN 29 HA GLN 29 -11.080 -6.290 -2.812 220 1HB GLN 29 2HB GLN 29 -9.702 -7.145 -0.368 221 2HB GLN 29 1HB GLN 29 -11.110 -6.136 -0.077 222 1HG GLN 29 2HG GLN 29 -12.540 -7.738 -0.695 223 2HG GLN 29 1HG GLN 29 -11.530 -8.272 -2.035 224 1HE2 GLN 29 1HE2 GLN 29 -12.080 -10.425 -1.398 225 2HE2 GLN 29 2HE2 GLN 29 -11.250 -11.187 -0.090 226 H TRP 30 H TRP 30 -8.431 -4.390 -1.742 227 HA TRP 30 HA TRP 30 -9.618 -2.271 -0.433 228 1HB TRP 30 2HB TRP 30 -7.258 -2.406 -2.297 229 2HB TRP 30 1HB TRP 30 -7.753 -0.885 -1.562 230 HD1 TRP 30 HD TRP 30 -8.524 -2.928 1.170 231 HE1 TRP 30 1HE TRP 30 -6.550 -3.287 2.782 232 HE3 TRP 30 3HE TRP 30 -4.693 -1.509 -1.904 233 HZ2 TRP 30 2HZ TRP 30 -3.740 -3.011 2.753 234 HZ3 TRP 30 3HZ TRP 30 -2.393 -1.586 -1.034 235 HH2 TRP 30 HH TRP 30 -1.928 -2.320 1.246 236 H LYS 31 H LYS 31 -10.750 -0.482 -1.004 237 HA LYS 31 HA LYS 31 -11.860 -0.449 -3.703 238 1HB LYS 31 2HB LYS 31 -13.550 1.039 -2.807 239 2HB LYS 31 1HB LYS 31 -13.380 -0.358 -1.755 240 1HG LYS 31 2HG LYS 31 -11.640 1.360 -0.590 241 2HG LYS 31 1HG LYS 31 -12.850 2.478 -1.227 242 1HD LYS 31 2HD LYS 31 -14.590 1.466 0.002 243 2HD LYS 31 1HD LYS 31 -13.610 0.043 0.363 244 1HE LYS 31 2HE LYS 31 -12.060 1.884 1.497 245 2HE LYS 31 1HE LYS 31 -13.600 2.732 1.620 246 1HZ LYS 31 1HZ LYS 31 -12.680 0.361 3.011 247 2HZ LYS 31 2HZ LYS 31 -14.290 0.311 2.494 248 3HZ LYS 31 3HZ LYS 31 -13.760 1.557 3.511 249 H GLU 32 H GLU 32 -12.540 2.213 -3.968 250 HA GLU 32 HA GLU 32 -10.370 3.347 -5.206 251 1HB GLU 32 2HB GLU 32 -13.020 4.210 -4.417 252 2HB GLU 32 1HB GLU 32 -11.870 5.532 -4.299 253 1HG GLU 32 2HG GLU 32 -11.800 5.782 -6.498 254 2HG GLU 32 1HG GLU 32 -11.510 4.063 -6.754 255 H VAL 33 H VAL 33 -11.180 3.382 -1.824 256 HA VAL 33 HA VAL 33 -8.736 4.944 -1.306 257 HB VAL 33 HB VAL 33 -11.190 5.071 0.433 258 1HG1 VAL 33 1HG1 VAL 33 -8.526 6.395 0.420 259 2HG1 VAL 33 2HG1 VAL 33 -9.443 5.721 1.766 260 3HG1 VAL 33 3HG1 VAL 33 -9.920 7.266 1.062 261 1HG2 VAL 33 1HG2 VAL 33 -12.080 6.227 -1.298 262 2HG2 VAL 33 2HG2 VAL 33 -10.500 6.570 -2.014 263 3HG2 VAL 33 3HG2 VAL 33 -11.080 7.528 -0.648 264 H ILE 34 H ILE 34 -7.286 3.775 -0.237 265 HA ILE 34 HA ILE 34 -7.771 1.213 0.787 266 HB ILE 34 HB ILE 34 -5.543 1.573 2.009 267 1HG1 ILE 34 2HG1 ILE 34 -5.305 3.972 0.214 268 2HG1 ILE 34 1HG1 ILE 34 -5.892 4.138 1.865 269 1HG2 ILE 34 1HG2 ILE 34 -4.406 0.929 0.131 270 2HG2 ILE 34 2HG2 ILE 34 -5.229 2.097 -0.902 271 3HG2 ILE 34 3HG2 ILE 34 -6.069 0.636 -0.383 272 1HD1 ILE 34 1HD1 ILE 34 -3.796 3.070 2.650 273 2HD1 ILE 34 2HD1 ILE 34 -3.557 4.613 1.830 274 3HD1 ILE 34 3HD1 ILE 34 -3.212 3.102 0.987 275 HA PRO 35 HA PRO 35 -9.440 1.568 4.836 276 1HB PRO 35 2HB PRO 35 -7.101 0.002 5.811 277 2HB PRO 35 1HB PRO 35 -8.829 -0.301 6.029 278 1HG PRO 35 2HG PRO 35 -7.409 -1.743 4.301 279 2HG PRO 35 1HG PRO 35 -9.064 -1.234 3.917 280 1HD PRO 35 2HD PRO 35 -6.466 -0.150 2.921 281 2HD PRO 35 1HD PRO 35 -8.009 -0.349 2.066 282 H GLU 36 H GLU 36 -8.674 2.007 7.209 283 HA GLU 36 HA GLU 36 -7.156 4.457 7.122 284 1HB GLU 36 2HB GLU 36 -9.164 4.351 8.490 285 2HB GLU 36 1HB GLU 36 -8.497 3.012 9.414 286 1HG GLU 36 2HG GLU 36 -6.752 4.463 10.287 287 2HG GLU 36 1HG GLU 36 -7.378 5.807 9.333 288 H LYS 37 H LYS 37 -6.872 1.368 8.877 289 HA LYS 37 HA LYS 37 -4.346 1.966 10.005 290 1HB LYS 37 2HB LYS 37 -5.517 -0.771 9.486 291 2HB LYS 37 1HB LYS 37 -4.270 -0.362 10.657 292 1HG LYS 37 2HG LYS 37 -5.828 0.873 11.985 293 2HG LYS 37 1HG LYS 37 -7.080 0.707 10.754 294 1HD LYS 37 2HD LYS 37 -7.658 -0.932 12.292 295 2HD LYS 37 1HD LYS 37 -6.736 -1.837 11.091 296 1HE LYS 37 2HE LYS 37 -4.784 -1.813 12.477 297 2HE LYS 37 1HE LYS 37 -5.547 -0.705 13.617 298 1HZ LYS 37 1HZ LYS 37 -5.878 -2.674 14.678 299 2HZ LYS 37 2HZ LYS 37 -5.968 -3.577 13.252 300 3HZ LYS 37 3HZ LYS 37 -7.290 -2.644 13.745 301 H ASP 38 H ASP 38 -5.286 0.925 6.871 302 HA ASP 38 HA ASP 38 -2.760 -0.286 6.204 303 1HB ASP 38 2HB ASP 38 -5.043 0.608 4.425 304 2HB ASP 38 1HB ASP 38 -3.661 -0.352 3.905 305 H ALA 39 H ALA 39 -4.436 2.742 5.403 306 HA ALA 39 HA ALA 39 -2.427 3.883 3.830 307 1HB ALA 39 1HB ALA 39 -3.535 5.983 4.175 308 2HB ALA 39 2HB ALA 39 -4.344 5.371 5.619 309 3HB ALA 39 3HB ALA 39 -4.760 4.722 4.032 310 H TYR 40 H TYR 40 -2.753 3.593 7.293 311 HA TYR 40 HA TYR 40 -0.723 5.539 7.897 312 1HB TYR 40 2HB TYR 40 -2.492 5.116 9.510 313 2HB TYR 40 1HB TYR 40 -2.036 3.414 9.608 314 HD1 TYR 40 1HD TYR 40 0.071 2.762 10.723 315 HD2 TYR 40 2HD TYR 40 -1.304 6.787 10.736 316 HE1 TYR 40 1HE TYR 40 1.607 3.276 12.575 317 HE2 TYR 40 2HE TYR 40 0.227 7.313 12.586 318 HH TYR 40 HH TYR 40 2.749 5.307 13.511 319 H ARG 41 H ARG 41 -0.902 1.985 8.104 320 HA ARG 41 HA ARG 41 1.816 1.627 8.787 321 1HB ARG 41 2HB ARG 41 -0.190 -0.262 7.553 322 2HB ARG 41 1HB ARG 41 1.410 -0.751 8.096 323 1HG ARG 41 2HG ARG 41 0.855 -0.084 10.372 324 2HG ARG 41 1HG ARG 41 -0.744 0.437 9.834 325 1HD ARG 41 2HD ARG 41 -1.432 -1.751 9.385 326 2HD ARG 41 1HD ARG 41 0.220 -2.366 9.376 327 HE ARG 41 HE ARG 41 -1.491 -2.133 11.626 328 1HH1 ARG 41 1HH1 ARG 41 1.851 -1.841 10.662 329 2HH1 ARG 41 2HH1 ARG 41 2.467 -2.225 12.234 330 1HH2 ARG 41 1HH2 ARG 41 -0.680 -2.637 13.694 331 2HH2 ARG 41 2HH2 ARG 41 1.031 -2.677 13.954 332 H LEU 42 H LEU 42 0.243 2.238 5.788 333 HA LEU 42 HA LEU 42 2.125 1.061 4.043 334 1HB LEU 42 2HB LEU 42 0.012 3.157 3.750 335 2HB LEU 42 1HB LEU 42 1.143 2.875 2.439 336 HG LEU 42 HG LEU 42 -0.415 0.596 3.612 337 1HD1 LEU 42 1HD1 LEU 42 -2.051 0.994 1.740 338 2HD1 LEU 42 2HD1 LEU 42 -1.355 2.607 1.582 339 3HD1 LEU 42 3HD1 LEU 42 -2.140 2.130 3.086 340 1HD2 LEU 42 1HD2 LEU 42 0.891 1.157 0.958 341 2HD2 LEU 42 2HD2 LEU 42 -0.150 -0.232 1.264 342 3HD2 LEU 42 3HD2 LEU 42 1.358 -0.047 2.158 343 H GLU 43 H GLU 43 2.020 4.119 5.717 344 HA GLU 43 HA GLU 43 3.924 5.508 4.183 345 1HB GLU 43 2HB GLU 43 2.379 6.437 5.986 346 2HB GLU 43 1HB GLU 43 3.539 5.824 7.158 347 1HG GLU 43 2HG GLU 43 5.046 7.276 5.313 348 2HG GLU 43 1HG GLU 43 3.602 8.241 5.608 349 H ILE 44 H ILE 44 4.302 3.611 7.168 350 HA ILE 44 HA ILE 44 7.062 3.886 7.418 351 HB ILE 44 HB ILE 44 5.462 1.487 8.280 352 1HG1 ILE 44 2HG1 ILE 44 5.602 3.082 10.470 353 2HG1 ILE 44 1HG1 ILE 44 5.454 4.292 9.206 354 1HG2 ILE 44 1HG2 ILE 44 7.987 2.738 9.348 355 2HG2 ILE 44 2HG2 ILE 44 7.854 1.202 8.493 356 3HG2 ILE 44 3HG2 ILE 44 7.129 1.387 10.089 357 1HD1 ILE 44 1HD1 ILE 44 3.474 2.484 10.305 358 2HD1 ILE 44 2HD1 ILE 44 3.534 2.453 8.544 359 3HD1 ILE 44 3HD1 ILE 44 3.269 3.978 9.387 360 H VAL 45 H VAL 45 5.180 1.295 5.830 361 HA VAL 45 HA VAL 45 7.350 -0.337 5.156 362 HB VAL 45 HB VAL 45 5.897 -1.190 3.298 363 1HG1 VAL 45 1HG1 VAL 45 5.535 -2.503 5.099 364 2HG1 VAL 45 2HG1 VAL 45 3.957 -1.719 5.084 365 3HG1 VAL 45 3HG1 VAL 45 5.221 -1.136 6.167 366 1HG2 VAL 45 1HG2 VAL 45 4.713 0.854 2.770 367 2HG2 VAL 45 2HG2 VAL 45 3.981 0.864 4.374 368 3HG2 VAL 45 3HG2 VAL 45 3.571 -0.409 3.227 369 H THR 46 H THR 46 5.890 2.347 3.372 370 HA THR 46 HA THR 46 7.709 2.050 1.159 371 HB THR 46 HB THR 46 6.580 4.140 0.358 372 HG1 THR 46 1HG THR 46 4.838 3.767 2.543 373 1HG2 THR 46 1HG2 THR 46 4.774 3.059 -0.463 374 2HG2 THR 46 2HG2 THR 46 4.359 2.342 1.094 375 3HG2 THR 46 3HG2 THR 46 5.675 1.665 0.135 376 H ALA 47 H ALA 47 9.080 2.480 3.608 377 HA ALA 47 HA ALA 47 10.668 3.783 4.600 378 1HB ALA 47 1HB ALA 47 11.087 4.988 1.883 379 2HB ALA 47 2HB ALA 47 11.548 3.328 2.255 380 3HB ALA 47 3HB ALA 47 12.279 4.664 3.142 381 H GLY 48 H GLY 48 7.925 4.920 4.427 382 1HA GLY 48 2HA GLY 48 6.983 6.851 5.280 383 2HA GLY 48 1HA GLY 48 8.590 7.550 5.372 384 H ALA 49 H ALA 49 8.178 6.403 2.282 385 HA ALA 49 HA ALA 49 8.162 8.949 1.105 386 1HB ALA 49 1HB ALA 49 7.734 6.182 0.039 387 2HB ALA 49 2HB ALA 49 9.097 7.275 -0.209 388 3HB ALA 49 3HB ALA 49 7.556 7.593 -1.005 389 H LEU 50 H LEU 50 5.570 6.532 1.410 390 HA LEU 50 HA LEU 50 3.611 8.300 0.256 391 1HB LEU 50 2HB LEU 50 3.529 5.563 1.478 392 2HB LEU 50 1HB LEU 50 2.042 6.431 1.146 393 HG LEU 50 HG LEU 50 4.127 5.706 -0.912 394 1HD1 LEU 50 1HD1 LEU 50 2.554 4.072 -1.706 395 2HD1 LEU 50 2HD1 LEU 50 1.374 4.558 -0.490 396 3HD1 LEU 50 3HD1 LEU 50 2.875 3.775 0.002 397 1HD2 LEU 50 1HD2 LEU 50 2.217 6.355 -2.468 398 2HD2 LEU 50 2HD2 LEU 50 3.082 7.667 -1.668 399 3HD2 LEU 50 3HD2 LEU 50 1.503 7.159 -1.070 400 H LYS 51 H LYS 51 2.821 9.964 1.350 401 HA LYS 51 HA LYS 51 2.904 10.057 4.227 402 1HB LYS 51 2HB LYS 51 3.191 11.996 2.483 403 2HB LYS 51 1HB LYS 51 1.436 12.068 2.563 404 1HG LYS 51 2HG LYS 51 2.117 13.636 4.127 405 2HG LYS 51 1HG LYS 51 1.762 12.211 5.106 406 1HD LYS 51 2HD LYS 51 3.796 12.740 5.984 407 2HD LYS 51 1HD LYS 51 4.335 11.730 4.639 408 1HE LYS 51 2HE LYS 51 5.655 13.509 4.203 409 2HE LYS 51 1HE LYS 51 4.205 14.106 3.397 410 1HZ LYS 51 1HZ LYS 51 5.151 15.780 4.850 411 2HZ LYS 51 2HZ LYS 51 5.025 14.744 6.180 412 3HZ LYS 51 3HZ LYS 51 3.628 15.310 5.415 413 H TYR 52 H TYR 52 1.363 9.440 5.574 414 HA TYR 52 HA TYR 52 -1.160 8.480 4.552 415 1HB TYR 52 2HB TYR 52 -0.228 7.120 6.240 416 2HB TYR 52 1HB TYR 52 0.141 8.497 7.268 417 HD1 TYR 52 1HD TYR 52 -3.005 7.280 5.611 418 HD2 TYR 52 2HD TYR 52 -1.055 8.400 9.226 419 HE1 TYR 52 1HE TYR 52 -5.086 6.911 6.841 420 HE2 TYR 52 2HE TYR 52 -3.146 8.042 10.465 421 HH TYR 52 HH TYR 52 -6.156 7.574 8.900 422 H GLN 53 H GLN 53 -3.023 9.553 4.525 423 HA GLN 53 HA GLN 53 -3.238 12.011 6.133 424 1HB GLN 53 2HB GLN 53 -4.588 11.587 3.469 425 2HB GLN 53 1HB GLN 53 -4.433 13.087 4.373 426 1HG GLN 53 2HG GLN 53 -1.851 11.938 3.770 427 2HG GLN 53 1HG GLN 53 -2.808 12.202 2.313 428 1HE2 GLN 53 1HE2 GLN 53 -0.447 13.576 2.898 429 2HE2 GLN 53 2HE2 GLN 53 -0.827 15.244 3.133 430 H GLU 54 H GLU 54 -4.891 12.089 7.498 431 HA GLU 54 HA GLU 54 -6.807 9.910 7.497 432 1HB GLU 54 2HB GLU 54 -6.659 12.175 9.477 433 2HB GLU 54 1HB GLU 54 -7.372 10.584 9.704 434 1HG GLU 54 2HG GLU 54 -5.205 9.552 9.691 435 2HG GLU 54 1HG GLU 54 -4.435 11.085 9.287 436 H ASN 55 H ASN 55 -6.918 12.150 5.477 437 HA ASN 55 HA ASN 55 -9.071 13.845 6.044 438 1HB ASN 55 2HB ASN 55 -9.300 13.935 3.494 439 2HB ASN 55 1HB ASN 55 -7.752 14.428 4.173 440 1HD2 ASN 55 1HD2 ASN 55 -8.864 13.049 1.604 441 2HD2 ASN 55 2HD2 ASN 55 -7.698 11.807 1.315 442 H ALA 56 H ALA 56 -9.005 10.767 4.267 443 HA ALA 56 HA ALA 56 -11.920 10.607 4.469 444 1HB ALA 56 1HB ALA 56 -11.890 9.315 2.618 445 2HB ALA 56 2HB ALA 56 -10.450 8.437 3.119 446 3HB ALA 56 3HB ALA 56 -10.300 10.034 2.383 447 H TYR 57 H TYR 57 -9.707 10.082 6.593 448 HA TYR 57 HA TYR 57 -10.880 7.574 7.568 449 1HB TYR 57 2HB TYR 57 -7.978 8.289 7.973 450 2HB TYR 57 1HB TYR 57 -8.769 6.744 8.275 451 HD1 TYR 57 1HD TYR 57 -10.150 6.034 5.936 452 HD2 TYR 57 2HD TYR 57 -6.461 8.138 6.230 453 HE1 TYR 57 1HE TYR 57 -9.542 5.266 3.683 454 HE2 TYR 57 2HE TYR 57 -5.844 7.376 3.976 455 HH TYR 57 HH TYR 57 -6.379 6.001 2.277 456 H ARG 58 H ARG 58 -11.420 10.423 8.139 457 HA ARG 58 HA ARG 58 -10.490 10.675 10.903 458 1HB ARG 58 2HB ARG 58 -10.710 12.544 8.919 459 2HB ARG 58 1HB ARG 58 -12.200 12.797 9.805 460 1HG ARG 58 2HG ARG 58 -11.080 13.378 11.767 461 2HG ARG 58 1HG ARG 58 -9.568 12.675 11.213 462 1HD ARG 58 2HD ARG 58 -10.050 14.539 9.284 463 2HD ARG 58 1HD ARG 58 -10.710 15.326 10.713 464 HE ARG 58 HE ARG 58 -8.237 14.362 11.444 465 1HH1 ARG 58 1HH1 ARG 58 -9.507 16.632 9.117 466 2HH1 ARG 58 2HH1 ARG 58 -8.085 17.621 9.122 467 1HH2 ARG 58 1HH2 ARG 58 -6.367 15.661 11.450 468 2HH2 ARG 58 2HH2 ARG 58 -6.303 17.071 10.445 469 H GLN 59 H GLN 59 -12.280 11.804 12.336 470 HA GLN 59 HA GLN 59 -14.710 10.165 12.074 471 1HB GLN 59 2HB GLN 59 -14.880 10.271 14.539 472 2HB GLN 59 1HB GLN 59 -13.410 9.476 13.992 473 1HG GLN 59 2HG GLN 59 -12.050 11.182 14.705 474 2HG GLN 59 1HG GLN 59 -13.340 12.387 14.607 475 1HE2 GLN 59 1HE2 GLN 59 -12.270 12.828 16.770 476 2HE2 GLN 59 2HE2 GLN 59 -12.960 12.037 18.142 477 H ALA 60 H ALA 60 -13.840 13.120 11.376 478 HA ALA 60 HA ALA 60 -14.900 15.121 11.178 479 1HB ALA 60 1HB ALA 60 -17.100 13.207 11.592 480 2HB ALA 60 2HB ALA 60 -16.840 14.381 10.303 481 3HB ALA 60 3HB ALA 60 -17.490 14.907 11.858 482 H ALA 61 H ALA 61 -16.910 13.931 13.842 483 HA ALA 61 HA ALA 61 -15.570 15.820 15.654 484 1HB ALA 61 1HB ALA 61 -18.400 15.809 14.809 485 2HB ALA 61 2HB ALA 61 -17.370 17.145 15.331 486 3HB ALA 61 3HB ALA 61 -18.090 16.068 16.527 Start of MODEL 8 1 1H MET 1 1HT MET 1 -4.752 8.638 1.138 2 2H MET 1 2HT MET 1 -5.797 7.306 1.415 3 3H MET 1 3HT MET 1 -6.047 8.328 0.059 4 HA MET 1 HA MET 1 -3.819 7.669 -0.724 5 1HB MET 1 2HB MET 1 -4.011 6.247 1.817 6 2HB MET 1 1HB MET 1 -3.581 5.181 0.485 7 1HG MET 1 2HG MET 1 -1.509 5.839 1.124 8 2HG MET 1 1HG MET 1 -1.866 7.106 -0.049 9 1HE MET 1 1HE MET 1 -0.729 6.544 3.722 10 2HE MET 1 2HE MET 1 0.072 8.100 3.508 11 3HE MET 1 3HE MET 1 0.222 6.853 2.270 12 H TYR 2 H TYR 2 -4.274 6.801 -2.635 13 HA TYR 2 HA TYR 2 -6.629 5.087 -2.886 14 1HB TYR 2 2HB TYR 2 -5.150 6.911 -4.697 15 2HB TYR 2 1HB TYR 2 -5.877 5.490 -5.439 16 HD1 TYR 2 1HD TYR 2 -7.784 6.148 -6.567 17 HD2 TYR 2 2HD TYR 2 -7.039 7.744 -2.695 18 HE1 TYR 2 1HE TYR 2 -9.962 7.289 -6.624 19 HE2 TYR 2 2HE TYR 2 -9.214 8.889 -2.741 20 HH TYR 2 HH TYR 2 -11.390 8.663 -3.879 21 H LYS 3 H LYS 3 -6.582 3.075 -3.882 22 HA LYS 3 HA LYS 3 -4.385 1.441 -3.355 23 1HB LYS 3 2HB LYS 3 -6.915 0.905 -3.889 24 2HB LYS 3 1HB LYS 3 -6.300 0.700 -5.523 25 1HG LYS 3 2HG LYS 3 -4.512 -0.771 -4.122 26 2HG LYS 3 1HG LYS 3 -5.968 -0.992 -3.150 27 1HD LYS 3 2HD LYS 3 -7.117 -2.026 -4.871 28 2HD LYS 3 1HD LYS 3 -6.105 -1.298 -6.119 29 1HE LYS 3 2HE LYS 3 -4.206 -2.704 -5.180 30 2HE LYS 3 1HE LYS 3 -5.441 -3.577 -4.274 31 1HZ LYS 3 1HZ LYS 3 -5.304 -3.316 -7.230 32 2HZ LYS 3 2HZ LYS 3 -6.529 -4.114 -6.380 33 3HZ LYS 3 3HZ LYS 3 -4.947 -4.705 -6.334 34 H LYS 4 H LYS 4 -5.184 3.334 -6.169 35 HA LYS 4 HA LYS 4 -3.530 2.074 -8.054 36 1HB LYS 4 2HB LYS 4 -5.326 3.920 -8.366 37 2HB LYS 4 1HB LYS 4 -4.008 5.038 -8.042 38 1HG LYS 4 2HG LYS 4 -3.150 4.788 -10.083 39 2HG LYS 4 1HG LYS 4 -3.321 3.032 -10.034 40 1HD LYS 4 2HD LYS 4 -4.678 3.908 -11.823 41 2HD LYS 4 1HD LYS 4 -5.733 3.302 -10.544 42 1HE LYS 4 2HE LYS 4 -5.036 6.110 -10.207 43 2HE LYS 4 1HE LYS 4 -5.871 5.788 -11.726 44 1HZ LYS 4 1HZ LYS 4 -6.995 4.538 -9.354 45 2HZ LYS 4 2HZ LYS 4 -7.774 5.259 -10.670 46 3HZ LYS 4 3HZ LYS 4 -7.132 6.223 -9.437 47 H ASP 5 H ASP 5 -2.888 4.802 -5.869 48 HA ASP 5 HA ASP 5 -0.265 5.317 -6.709 49 1HB ASP 5 2HB ASP 5 -1.814 6.683 -5.139 50 2HB ASP 5 1HB ASP 5 -1.142 5.682 -3.856 51 H VAL 6 H VAL 6 -1.426 3.342 -3.979 52 HA VAL 6 HA VAL 6 0.995 2.489 -2.985 53 HB VAL 6 HB VAL 6 -1.386 0.663 -3.134 54 1HG1 VAL 6 1HG1 VAL 6 0.743 1.185 -1.082 55 2HG1 VAL 6 2HG1 VAL 6 0.571 -0.247 -2.095 56 3HG1 VAL 6 3HG1 VAL 6 -0.626 0.100 -0.848 57 1HG2 VAL 6 1HG2 VAL 6 -2.570 2.477 -2.416 58 2HG2 VAL 6 2HG2 VAL 6 -1.149 3.277 -1.744 59 3HG2 VAL 6 3HG2 VAL 6 -1.909 1.948 -0.868 60 H ILE 7 H ILE 7 -1.038 0.878 -5.428 61 HA ILE 7 HA ILE 7 0.650 -1.294 -5.915 62 HB ILE 7 HB ILE 7 -1.360 0.072 -7.703 63 1HG1 ILE 7 2HG1 ILE 7 -1.437 -2.495 -6.104 64 2HG1 ILE 7 1HG1 ILE 7 -2.283 -1.002 -5.710 65 1HG2 ILE 7 1HG2 ILE 7 -1.267 -1.960 -9.108 66 2HG2 ILE 7 2HG2 ILE 7 0.131 -2.502 -8.182 67 3HG2 ILE 7 3HG2 ILE 7 0.229 -1.026 -9.143 68 1HD1 ILE 7 1HD1 ILE 7 -2.883 -2.000 -8.380 69 2HD1 ILE 7 2HD1 ILE 7 -3.964 -1.471 -7.091 70 3HD1 ILE 7 3HD1 ILE 7 -3.326 -3.116 -7.088 71 H ASP 8 H ASP 8 0.829 2.004 -6.999 72 HA ASP 8 HA ASP 8 2.645 1.504 -9.160 73 1HB ASP 8 2HB ASP 8 1.080 3.661 -8.340 74 2HB ASP 8 1HB ASP 8 2.734 4.210 -8.088 75 H HIS 9 H HIS 9 2.877 2.129 -5.754 76 HA HIS 9 HA HIS 9 5.711 2.686 -5.862 77 1HB HIS 9 2HB HIS 9 4.466 3.892 -4.203 78 2HB HIS 9 1HB HIS 9 3.764 2.408 -3.570 79 HD1 HIS 9 1HD HIS 9 6.642 4.654 -3.205 80 HD2 HIS 9 2HD HIS 9 5.648 0.770 -2.110 81 HE1 HIS 9 1HE HIS 9 8.312 4.005 -1.439 82 HE2 HIS 9 2HE HIS 9 7.741 1.623 -0.852 83 H PHE 10 H PHE 10 3.574 0.021 -5.168 84 HA PHE 10 HA PHE 10 5.766 -1.658 -4.226 85 1HB PHE 10 2HB PHE 10 2.783 -1.955 -4.336 86 2HB PHE 10 1HB PHE 10 3.810 -3.369 -4.112 87 HD1 PHE 10 1HD PHE 10 2.480 -0.355 -2.600 88 HD2 PHE 10 2HD PHE 10 5.195 -3.588 -2.113 89 HE1 PHE 10 1HE PHE 10 2.621 0.136 -0.195 90 HE2 PHE 10 2HE PHE 10 5.345 -3.109 0.298 91 HZ PHE 10 HZ PHE 10 4.056 -1.243 1.261 92 H GLY 11 H GLY 11 3.762 -1.164 -7.041 93 1HA GLY 11 2HA GLY 11 4.333 -1.835 -9.219 94 2HA GLY 11 1HA GLY 11 5.470 -2.993 -8.542 95 H THR 12 H THR 12 3.951 -4.467 -6.856 96 HA THR 12 HA THR 12 1.725 -5.484 -8.481 97 HB THR 12 HB THR 12 2.695 -7.788 -7.434 98 HG1 THR 12 1HG THR 12 4.569 -6.513 -6.702 99 1HG2 THR 12 1HG2 THR 12 2.460 -6.719 -9.978 100 2HG2 THR 12 2HG2 THR 12 2.838 -8.389 -9.556 101 3HG2 THR 12 3HG2 THR 12 4.141 -7.242 -9.864 102 H GLN 13 H GLN 13 -0.023 -6.216 -7.349 103 HA GLN 13 HA GLN 13 -0.592 -5.242 -4.848 104 1HB GLN 13 2HB GLN 13 -2.385 -7.021 -4.762 105 2HB GLN 13 1HB GLN 13 -2.385 -6.011 -6.199 106 1HG GLN 13 2HG GLN 13 -0.936 -7.935 -7.200 107 2HG GLN 13 1HG GLN 13 -1.658 -8.882 -5.902 108 1HE2 GLN 13 1HE2 GLN 13 -4.167 -8.117 -5.738 109 2HE2 GLN 13 2HE2 GLN 13 -5.013 -8.344 -7.226 110 H ARG 14 H ARG 14 0.456 -8.564 -5.606 111 HA ARG 14 HA ARG 14 0.465 -9.684 -3.117 112 1HB ARG 14 2HB ARG 14 2.532 -10.962 -3.996 113 2HB ARG 14 1HB ARG 14 1.010 -11.130 -4.853 114 1HG ARG 14 2HG ARG 14 1.807 -10.166 -6.711 115 2HG ARG 14 1HG ARG 14 2.711 -8.945 -5.812 116 1HD ARG 14 2HD ARG 14 4.138 -11.144 -5.194 117 2HD ARG 14 1HD ARG 14 3.553 -11.599 -6.793 118 HE ARG 14 HE ARG 14 4.542 -9.021 -7.009 119 1HH1 ARG 14 1HH1 ARG 14 5.771 -12.188 -6.211 120 2HH1 ARG 14 2HH1 ARG 14 7.363 -11.858 -6.806 121 1HH2 ARG 14 1HH2 ARG 14 6.634 -8.585 -7.796 122 2HH2 ARG 14 2HH2 ARG 14 7.854 -9.812 -7.706 123 H ALA 15 H ALA 15 2.841 -7.466 -4.474 124 HA ALA 15 HA ALA 15 4.837 -7.736 -2.528 125 1HB ALA 15 1HB ALA 15 4.358 -6.094 -4.769 126 2HB ALA 15 2HB ALA 15 5.855 -6.278 -3.856 127 3HB ALA 15 3HB ALA 15 4.701 -5.021 -3.412 128 H VAL 16 H VAL 16 2.156 -5.402 -2.716 129 HA VAL 16 HA VAL 16 2.648 -4.004 -0.380 130 HB VAL 16 HB VAL 16 -0.204 -4.558 -0.985 131 1HG1 VAL 16 1HG1 VAL 16 1.014 -1.864 -0.970 132 2HG1 VAL 16 2HG1 VAL 16 1.012 -2.768 0.542 133 3HG1 VAL 16 3HG1 VAL 16 -0.508 -2.423 -0.281 134 1HG2 VAL 16 1HG2 VAL 16 1.718 -3.460 -2.992 135 2HG2 VAL 16 2HG2 VAL 16 0.080 -2.811 -2.910 136 3HG2 VAL 16 3HG2 VAL 16 0.333 -4.526 -3.230 137 H ALA 17 H ALA 17 1.177 -7.140 -0.842 138 HA ALA 17 HA ALA 17 -0.009 -7.417 1.701 139 1HB ALA 17 1HB ALA 17 0.207 -8.963 -0.622 140 2HB ALA 17 2HB ALA 17 -0.745 -9.317 0.819 141 3HB ALA 17 3HB ALA 17 0.896 -9.943 0.672 142 H LYS 18 H LYS 18 3.270 -7.727 0.603 143 HA LYS 18 HA LYS 18 4.194 -9.260 2.842 144 1HB LYS 18 2HB LYS 18 5.440 -7.891 0.513 145 2HB LYS 18 1HB LYS 18 6.462 -8.195 1.910 146 1HG LYS 18 2HG LYS 18 5.476 -10.618 1.711 147 2HG LYS 18 1HG LYS 18 5.178 -10.120 0.044 148 1HD LYS 18 2HD LYS 18 7.429 -9.890 -0.430 149 2HD LYS 18 1HD LYS 18 7.866 -9.658 1.264 150 1HE LYS 18 2HE LYS 18 6.814 -12.263 0.185 151 2HE LYS 18 1HE LYS 18 8.531 -11.869 0.231 152 1HZ LYS 18 1HZ LYS 18 7.669 -13.177 2.165 153 2HZ LYS 18 2HZ LYS 18 6.799 -11.805 2.634 154 3HZ LYS 18 3HZ LYS 18 8.488 -11.755 2.575 155 H ALA 19 H ALA 19 4.548 -5.848 1.880 156 HA ALA 19 HA ALA 19 5.918 -4.983 4.156 157 1HB ALA 19 1HB ALA 19 6.014 -3.352 2.599 158 2HB ALA 19 2HB ALA 19 4.596 -2.749 3.458 159 3HB ALA 19 3HB ALA 19 4.397 -3.694 1.984 160 H LEU 20 H LEU 20 2.458 -5.277 3.521 161 HA LEU 20 HA LEU 20 1.789 -4.176 6.125 162 1HB LEU 20 2HB LEU 20 0.463 -4.432 3.643 163 2HB LEU 20 1HB LEU 20 -0.446 -5.393 4.794 164 HG LEU 20 HG LEU 20 0.321 -2.590 5.501 165 1HD1 LEU 20 1HD1 LEU 20 -1.840 -3.446 3.608 166 2HD1 LEU 20 2HD1 LEU 20 -0.656 -2.152 3.428 167 3HD1 LEU 20 3HD1 LEU 20 -1.985 -1.978 4.575 168 1HD2 LEU 20 1HD2 LEU 20 -1.356 -2.740 7.060 169 2HD2 LEU 20 2HD2 LEU 20 -0.807 -4.416 7.004 170 3HD2 LEU 20 3HD2 LEU 20 -2.262 -3.935 6.132 171 H GLY 21 H GLY 21 2.038 -7.279 4.540 172 1HA GLY 21 2HA GLY 21 2.310 -9.341 5.609 173 2HA GLY 21 1HA GLY 21 1.806 -8.599 7.120 174 H ILE 22 H ILE 22 -0.061 -8.246 4.195 175 HA ILE 22 HA ILE 22 -2.146 -9.948 5.396 176 HB ILE 22 HB ILE 22 -3.752 -8.642 4.001 177 1HG1 ILE 22 2HG1 ILE 22 -1.348 -6.860 3.537 178 2HG1 ILE 22 1HG1 ILE 22 -2.145 -7.845 2.313 179 1HG2 ILE 22 1HG2 ILE 22 -3.378 -6.463 5.388 180 2HG2 ILE 22 2HG2 ILE 22 -2.112 -7.412 6.168 181 3HG2 ILE 22 3HG2 ILE 22 -3.784 -7.973 6.201 182 1HD1 ILE 22 1HD1 ILE 22 -3.111 -5.837 1.887 183 2HD1 ILE 22 2HD1 ILE 22 -3.007 -5.303 3.564 184 3HD1 ILE 22 3HD1 ILE 22 -4.252 -6.455 3.081 185 H SER 23 H SER 23 -3.797 -10.552 3.479 186 HA SER 23 HA SER 23 -2.233 -12.234 1.706 187 1HB SER 23 2HB SER 23 -4.094 -13.288 2.824 188 2HB SER 23 1HB SER 23 -5.207 -12.059 2.228 189 HG SER 23 HG SER 23 -5.176 -14.096 1.040 190 H ASP 24 H ASP 24 -2.793 -12.417 -0.593 191 HA ASP 24 HA ASP 24 -2.624 -9.946 -1.913 192 1HB ASP 24 2HB ASP 24 -2.114 -12.484 -2.646 193 2HB ASP 24 1HB ASP 24 -3.673 -12.265 -3.439 194 H ALA 25 H ALA 25 -5.354 -11.954 -1.062 195 HA ALA 25 HA ALA 25 -7.269 -10.756 -2.761 196 1HB ALA 25 1HB ALA 25 -7.323 -12.940 -1.258 197 2HB ALA 25 2HB ALA 25 -8.797 -12.101 -1.741 198 3HB ALA 25 3HB ALA 25 -8.121 -11.840 -0.133 199 H ALA 26 H ALA 26 -6.312 -10.108 0.593 200 HA ALA 26 HA ALA 26 -8.222 -8.172 1.203 201 1HB ALA 26 1HB ALA 26 -7.083 -8.802 3.071 202 2HB ALA 26 2HB ALA 26 -6.220 -7.307 2.710 203 3HB ALA 26 3HB ALA 26 -5.528 -8.861 2.241 204 H VAL 27 H VAL 27 -5.284 -7.953 -0.669 205 HA VAL 27 HA VAL 27 -5.159 -5.092 -0.678 206 HB VAL 27 HB VAL 27 -3.871 -7.000 -2.632 207 1HG1 VAL 27 1HG1 VAL 27 -3.605 -4.906 -3.563 208 2HG1 VAL 27 2HG1 VAL 27 -2.153 -5.040 -2.570 209 3HG1 VAL 27 3HG1 VAL 27 -3.532 -4.102 -1.995 210 1HG2 VAL 27 1HG2 VAL 27 -2.722 -5.910 -0.066 211 2HG2 VAL 27 2HG2 VAL 27 -1.934 -7.011 -1.198 212 3HG2 VAL 27 3HG2 VAL 27 -3.338 -7.549 -0.274 213 H SER 28 H SER 28 -5.971 -7.478 -3.208 214 HA SER 28 HA SER 28 -6.825 -5.647 -5.129 215 1HB SER 28 2HB SER 28 -8.342 -7.785 -5.756 216 2HB SER 28 1HB SER 28 -6.613 -7.701 -6.099 217 HG SER 28 HG SER 28 -6.223 -9.119 -4.564 218 H GLN 29 H GLN 29 -8.430 -6.855 -2.299 219 HA GLN 29 HA GLN 29 -11.070 -6.125 -3.107 220 1HB GLN 29 2HB GLN 29 -9.838 -7.436 -0.863 221 2HB GLN 29 1HB GLN 29 -10.960 -6.216 -0.292 222 1HG GLN 29 2HG GLN 29 -12.360 -7.484 -2.300 223 2HG GLN 29 1HG GLN 29 -11.460 -8.793 -1.528 224 1HE2 GLN 29 1HE2 GLN 29 -11.670 -8.980 0.816 225 2HE2 GLN 29 2HE2 GLN 29 -13.170 -8.553 1.558 226 H TRP 30 H TRP 30 -8.392 -4.383 -1.913 227 HA TRP 30 HA TRP 30 -9.526 -2.387 -0.370 228 1HB TRP 30 2HB TRP 30 -7.192 -2.370 -2.272 229 2HB TRP 30 1HB TRP 30 -7.655 -0.926 -1.379 230 HD1 TRP 30 HD TRP 30 -8.432 -3.163 1.163 231 HE1 TRP 30 1HE TRP 30 -6.447 -3.733 2.702 232 HE3 TRP 30 3HE TRP 30 -4.597 -1.634 -1.853 233 HZ2 TRP 30 2HZ TRP 30 -3.632 -3.559 2.642 234 HZ3 TRP 30 3HZ TRP 30 -2.289 -1.868 -1.037 235 HH2 TRP 30 HH TRP 30 -1.818 -2.811 1.165 236 H LYS 31 H LYS 31 -10.850 -0.733 -0.736 237 HA LYS 31 HA LYS 31 -12.000 -0.387 -3.356 238 1HB LYS 31 2HB LYS 31 -13.500 1.195 -2.258 239 2HB LYS 31 1HB LYS 31 -13.390 -0.296 -1.336 240 1HG LYS 31 2HG LYS 31 -12.610 0.750 0.462 241 2HG LYS 31 1HG LYS 31 -11.440 1.671 -0.482 242 1HD LYS 31 2HD LYS 31 -13.030 3.346 -0.997 243 2HD LYS 31 1HD LYS 31 -14.370 2.354 -0.404 244 1HE LYS 31 2HE LYS 31 -13.590 2.562 1.859 245 2HE LYS 31 1HE LYS 31 -12.130 3.386 1.324 246 1HZ LYS 31 1HZ LYS 31 -13.420 5.142 1.953 247 2HZ LYS 31 2HZ LYS 31 -14.870 4.403 1.497 248 3HZ LYS 31 3HZ LYS 31 -13.850 5.045 0.318 249 H GLU 32 H GLU 32 -12.540 2.300 -3.504 250 HA GLU 32 HA GLU 32 -10.400 3.372 -4.838 251 1HB GLU 32 2HB GLU 32 -12.940 4.340 -3.833 252 2HB GLU 32 1HB GLU 32 -11.710 5.591 -3.715 253 1HG GLU 32 2HG GLU 32 -11.280 5.518 -6.042 254 2HG GLU 32 1HG GLU 32 -12.220 4.042 -6.236 255 H VAL 33 H VAL 33 -11.010 3.379 -1.404 256 HA VAL 33 HA VAL 33 -8.418 4.697 -0.993 257 HB VAL 33 HB VAL 33 -10.810 5.040 0.812 258 1HG1 VAL 33 1HG1 VAL 33 -8.827 5.269 2.076 259 2HG1 VAL 33 2HG1 VAL 33 -9.376 6.908 1.723 260 3HG1 VAL 33 3HG1 VAL 33 -8.042 6.210 0.808 261 1HG2 VAL 33 1HG2 VAL 33 -9.892 6.562 -1.548 262 2HG2 VAL 33 2HG2 VAL 33 -10.370 7.507 -0.142 263 3HG2 VAL 33 3HG2 VAL 33 -11.510 6.377 -0.878 264 H ILE 34 H ILE 34 -7.044 3.320 -0.102 265 HA ILE 34 HA ILE 34 -7.617 0.807 0.885 266 HB ILE 34 HB ILE 34 -5.386 1.016 2.116 267 1HG1 ILE 34 2HG1 ILE 34 -5.198 3.591 0.544 268 2HG1 ILE 34 1HG1 ILE 34 -5.572 3.545 2.265 269 1HG2 ILE 34 1HG2 ILE 34 -5.894 0.230 -0.308 270 2HG2 ILE 34 2HG2 ILE 34 -4.226 0.538 0.177 271 3HG2 ILE 34 3HG2 ILE 34 -5.106 1.739 -0.770 272 1HD1 ILE 34 1HD1 ILE 34 -3.259 3.988 2.053 273 2HD1 ILE 34 2HD1 ILE 34 -3.042 2.666 0.907 274 3HD1 ILE 34 3HD1 ILE 34 -3.414 2.318 2.596 275 HA PRO 35 HA PRO 35 -9.221 0.958 4.971 276 1HB PRO 35 2HB PRO 35 -6.807 -0.512 5.915 277 2HB PRO 35 1HB PRO 35 -8.517 -0.901 6.130 278 1HG PRO 35 2HG PRO 35 -7.041 -2.241 4.371 279 2HG PRO 35 1HG PRO 35 -8.718 -1.800 3.999 280 1HD PRO 35 2HD PRO 35 -6.175 -0.580 3.019 281 2HD PRO 35 1HD PRO 35 -7.711 -0.832 2.163 282 H GLU 36 H GLU 36 -8.844 1.750 7.153 283 HA GLU 36 HA GLU 36 -7.244 4.108 7.167 284 1HB GLU 36 2HB GLU 36 -9.417 3.946 8.326 285 2HB GLU 36 1HB GLU 36 -8.730 2.767 9.434 286 1HG GLU 36 2HG GLU 36 -7.376 5.390 9.195 287 2HG GLU 36 1HG GLU 36 -8.919 5.332 10.039 288 H LYS 37 H LYS 37 -6.941 0.898 8.572 289 HA LYS 37 HA LYS 37 -4.551 1.637 10.041 290 1HB LYS 37 2HB LYS 37 -6.488 -0.491 10.152 291 2HB LYS 37 1HB LYS 37 -4.867 -1.166 10.074 292 1HG LYS 37 2HG LYS 37 -5.298 1.053 11.978 293 2HG LYS 37 1HG LYS 37 -6.052 -0.494 12.360 294 1HD LYS 37 2HD LYS 37 -3.508 -1.211 11.578 295 2HD LYS 37 1HD LYS 37 -3.247 0.298 12.457 296 1HE LYS 37 2HE LYS 37 -3.096 -1.378 14.089 297 2HE LYS 37 1HE LYS 37 -4.716 -0.708 14.282 298 1HZ LYS 37 1HZ LYS 37 -5.203 -2.670 12.559 299 2HZ LYS 37 2HZ LYS 37 -5.281 -2.873 14.236 300 3HZ LYS 37 3HZ LYS 37 -3.895 -3.348 13.390 301 H ASP 38 H ASP 38 -5.347 0.360 6.957 302 HA ASP 38 HA ASP 38 -2.846 -1.010 6.556 303 1HB ASP 38 2HB ASP 38 -5.183 -0.330 4.789 304 2HB ASP 38 1HB ASP 38 -3.687 -0.950 4.098 305 H ALA 39 H ALA 39 -4.277 2.067 5.535 306 HA ALA 39 HA ALA 39 -2.108 2.911 3.935 307 1HB ALA 39 1HB ALA 39 -3.151 5.028 3.875 308 2HB ALA 39 2HB ALA 39 -3.984 4.748 5.404 309 3HB ALA 39 3HB ALA 39 -4.461 3.852 3.961 310 H TYR 40 H TYR 40 -2.661 2.929 7.363 311 HA TYR 40 HA TYR 40 -0.720 4.910 8.017 312 1HB TYR 40 2HB TYR 40 -2.505 4.390 9.577 313 2HB TYR 40 1HB TYR 40 -1.968 2.713 9.681 314 HD1 TYR 40 1HD TYR 40 -0.850 6.199 10.364 315 HD2 TYR 40 2HD TYR 40 -0.457 2.076 11.334 316 HE1 TYR 40 1HE TYR 40 0.600 6.791 12.258 317 HE2 TYR 40 2HE TYR 40 0.995 2.656 13.236 318 HH TYR 40 HH TYR 40 2.283 5.804 13.670 319 H ARG 41 H ARG 41 -0.664 1.405 7.681 320 HA ARG 41 HA ARG 41 2.021 1.138 8.665 321 1HB ARG 41 2HB ARG 41 0.099 -0.735 7.304 322 2HB ARG 41 1HB ARG 41 1.759 -1.204 7.634 323 1HG ARG 41 2HG ARG 41 1.192 -0.456 10.065 324 2HG ARG 41 1HG ARG 41 -0.475 -0.687 9.534 325 1HD ARG 41 2HD ARG 41 -0.042 -2.789 10.297 326 2HD ARG 41 1HD ARG 41 0.517 -2.970 8.634 327 HE ARG 41 HE ARG 41 2.567 -2.121 10.464 328 1HH1 ARG 41 1HH1 ARG 41 0.909 -4.870 9.095 329 2HH1 ARG 41 2HH1 ARG 41 2.216 -5.964 9.393 330 1HH2 ARG 41 1HH2 ARG 41 4.287 -3.560 10.857 331 2HH2 ARG 41 2HH2 ARG 41 4.134 -5.221 10.394 332 H LEU 42 H LEU 42 0.509 1.625 5.568 333 HA LEU 42 HA LEU 42 2.657 0.809 3.929 334 1HB LEU 42 2HB LEU 42 0.339 2.672 3.488 335 2HB LEU 42 1HB LEU 42 1.525 2.354 2.237 336 HG LEU 42 HG LEU 42 -0.250 0.290 3.543 337 1HD1 LEU 42 1HD1 LEU 42 -0.383 1.790 0.959 338 2HD1 LEU 42 2HD1 LEU 42 -1.659 1.468 2.135 339 3HD1 LEU 42 3HD1 LEU 42 -1.071 0.171 1.094 340 1HD2 LEU 42 1HD2 LEU 42 2.078 0.114 1.721 341 2HD2 LEU 42 2HD2 LEU 42 0.705 -0.939 1.382 342 3HD2 LEU 42 3HD2 LEU 42 1.508 -1.016 2.949 343 H GLU 43 H GLU 43 1.923 3.804 5.584 344 HA GLU 43 HA GLU 43 3.770 5.446 4.205 345 1HB GLU 43 2HB GLU 43 1.911 6.330 5.566 346 2HB GLU 43 1HB GLU 43 2.701 5.734 7.018 347 1HG GLU 43 2HG GLU 43 4.553 7.241 6.679 348 2HG GLU 43 1HG GLU 43 3.869 7.780 5.147 349 H ILE 44 H ILE 44 4.158 3.063 6.670 350 HA ILE 44 HA ILE 44 6.757 4.065 7.499 351 HB ILE 44 HB ILE 44 5.447 1.463 8.274 352 1HG1 ILE 44 2HG1 ILE 44 5.033 4.262 9.209 353 2HG1 ILE 44 1HG1 ILE 44 3.886 2.930 9.109 354 1HG2 ILE 44 1HG2 ILE 44 6.961 1.530 10.169 355 2HG2 ILE 44 2HG2 ILE 44 7.615 3.073 9.618 356 3HG2 ILE 44 3HG2 ILE 44 7.872 1.614 8.661 357 1HD1 ILE 44 1HD1 ILE 44 4.887 1.933 11.105 358 2HD1 ILE 44 2HD1 ILE 44 4.292 3.566 11.409 359 3HD1 ILE 44 3HD1 ILE 44 6.020 3.280 11.200 360 H VAL 45 H VAL 45 5.477 1.114 5.969 361 HA VAL 45 HA VAL 45 7.938 -0.107 5.437 362 HB VAL 45 HB VAL 45 6.687 -1.307 3.595 363 1HG1 VAL 45 1HG1 VAL 45 4.997 -2.286 5.356 364 2HG1 VAL 45 2HG1 VAL 45 5.913 -1.271 6.469 365 3HG1 VAL 45 3HG1 VAL 45 6.735 -2.522 5.538 366 1HG2 VAL 45 1HG2 VAL 45 4.881 -0.277 2.795 367 2HG2 VAL 45 2HG2 VAL 45 4.784 0.806 4.183 368 3HG2 VAL 45 3HG2 VAL 45 4.058 -0.798 4.266 369 H THR 46 H THR 46 6.043 2.180 3.540 370 HA THR 46 HA THR 46 7.795 2.076 1.278 371 HB THR 46 HB THR 46 6.362 3.760 0.342 372 HG1 THR 46 1HG THR 46 5.294 4.013 2.950 373 1HG2 THR 46 1HG2 THR 46 4.055 2.801 0.858 374 2HG2 THR 46 2HG2 THR 46 4.915 1.645 1.874 375 3HG2 THR 46 3HG2 THR 46 5.259 1.728 0.146 376 H ALA 47 H ALA 47 8.601 3.140 4.143 377 HA ALA 47 HA ALA 47 10.093 4.644 4.961 378 1HB ALA 47 1HB ALA 47 10.991 3.988 2.428 379 2HB ALA 47 2HB ALA 47 11.906 4.830 3.678 380 3HB ALA 47 3HB ALA 47 11.036 5.750 2.451 381 H GLY 48 H GLY 48 7.352 5.469 4.364 382 1HA GLY 48 2HA GLY 48 6.155 7.417 4.655 383 2HA GLY 48 1HA GLY 48 7.681 8.273 4.812 384 H ALA 49 H ALA 49 7.164 6.352 1.982 385 HA ALA 49 HA ALA 49 7.613 8.471 0.211 386 1HB ALA 49 1HB ALA 49 6.745 5.660 -0.029 387 2HB ALA 49 2HB ALA 49 8.032 6.528 -0.864 388 3HB ALA 49 3HB ALA 49 6.358 6.717 -1.387 389 H LEU 50 H LEU 50 4.667 7.192 1.592 390 HA LEU 50 HA LEU 50 3.132 9.241 0.130 391 1HB LEU 50 2HB LEU 50 1.983 6.733 1.337 392 2HB LEU 50 1HB LEU 50 1.208 7.842 0.222 393 HG LEU 50 HG LEU 50 3.668 6.458 -0.716 394 1HD1 LEU 50 1HD1 LEU 50 1.120 5.106 -0.011 395 2HD1 LEU 50 2HD1 LEU 50 2.774 4.497 0.022 396 3HD1 LEU 50 3HD1 LEU 50 1.920 4.643 -1.513 397 1HD2 LEU 50 1HD2 LEU 50 1.038 7.164 -2.011 398 2HD2 LEU 50 2HD2 LEU 50 2.445 6.485 -2.829 399 3HD2 LEU 50 3HD2 LEU 50 2.530 8.098 -2.119 400 H LYS 51 H LYS 51 2.258 10.808 1.317 401 HA LYS 51 HA LYS 51 2.543 10.764 4.181 402 1HB LYS 51 2HB LYS 51 2.915 12.798 2.756 403 2HB LYS 51 1HB LYS 51 1.181 12.849 2.474 404 1HG LYS 51 2HG LYS 51 0.729 13.650 4.532 405 2HG LYS 51 1HG LYS 51 2.036 12.742 5.293 406 1HD LYS 51 2HD LYS 51 3.500 14.432 5.066 407 2HD LYS 51 1HD LYS 51 2.941 14.822 3.438 408 1HE LYS 51 2HE LYS 51 1.295 16.250 4.201 409 2HE LYS 51 1HE LYS 51 1.214 15.475 5.784 410 1HZ LYS 51 1HZ LYS 51 2.281 17.477 6.190 411 2HZ LYS 51 2HZ LYS 51 3.209 17.403 4.777 412 3HZ LYS 51 3HZ LYS 51 3.569 16.384 6.079 413 H TYR 52 H TYR 52 1.131 9.751 5.434 414 HA TYR 52 HA TYR 52 -1.426 8.912 4.644 415 1HB TYR 52 2HB TYR 52 -0.085 7.926 6.512 416 2HB TYR 52 1HB TYR 52 -0.461 9.348 7.478 417 HD1 TYR 52 1HD TYR 52 -2.986 9.870 7.819 418 HD2 TYR 52 2HD TYR 52 -1.495 6.080 6.585 419 HE1 TYR 52 1HE TYR 52 -5.071 8.808 8.574 420 HE2 TYR 52 2HE TYR 52 -3.580 5.010 7.336 421 HH TYR 52 HH TYR 52 -5.443 5.754 9.225 422 H GLN 53 H GLN 53 -3.191 10.074 4.309 423 HA GLN 53 HA GLN 53 -3.472 12.654 5.690 424 1HB GLN 53 2HB GLN 53 -4.937 11.703 3.225 425 2HB GLN 53 1HB GLN 53 -4.945 13.329 3.896 426 1HG GLN 53 2HG GLN 53 -2.278 12.874 3.498 427 2HG GLN 53 1HG GLN 53 -3.017 12.030 2.137 428 1HE2 GLN 53 1HE2 GLN 53 -2.417 13.417 0.550 429 2HE2 GLN 53 2HE2 GLN 53 -2.969 15.050 0.436 430 H GLU 54 H GLU 54 -4.724 12.571 7.425 431 HA GLU 54 HA GLU 54 -6.520 10.502 8.029 432 1HB GLU 54 2HB GLU 54 -7.300 11.987 9.852 433 2HB GLU 54 1HB GLU 54 -5.548 11.854 9.780 434 1HG GLU 54 2HG GLU 54 -5.458 14.012 8.597 435 2HG GLU 54 1HG GLU 54 -7.209 14.148 8.764 436 H ASN 55 H ASN 55 -6.877 13.240 6.008 437 HA ASN 55 HA ASN 55 -9.514 13.959 6.212 438 1HB ASN 55 2HB ASN 55 -7.816 13.641 3.733 439 2HB ASN 55 1HB ASN 55 -9.398 14.414 3.735 440 1HD2 ASN 55 1HD2 ASN 55 -8.013 16.181 2.873 441 2HD2 ASN 55 2HD2 ASN 55 -7.304 17.266 4.014 442 H ALA 56 H ALA 56 -8.169 11.105 4.634 443 HA ALA 56 HA ALA 56 -10.860 10.216 3.893 444 1HB ALA 56 1HB ALA 56 -8.849 10.159 2.301 445 2HB ALA 56 2HB ALA 56 -9.872 8.725 2.394 446 3HB ALA 56 3HB ALA 56 -8.323 8.760 3.236 447 H TYR 57 H TYR 57 -9.513 10.209 6.669 448 HA TYR 57 HA TYR 57 -10.440 7.538 7.380 449 1HB TYR 57 2HB TYR 57 -7.770 8.532 8.377 450 2HB TYR 57 1HB TYR 57 -8.478 6.935 8.596 451 HD1 TYR 57 1HD TYR 57 -8.963 5.618 6.372 452 HD2 TYR 57 2HD TYR 57 -6.207 8.842 6.699 453 HE1 TYR 57 1HE TYR 57 -7.803 4.824 4.353 454 HE2 TYR 57 2HE TYR 57 -5.041 8.058 4.682 455 HH TYR 57 HH TYR 57 -6.344 5.633 2.629 456 H ARG 58 H ARG 58 -11.400 10.286 7.759 457 HA ARG 58 HA ARG 58 -11.280 10.444 10.699 458 1HB ARG 58 2HB ARG 58 -11.840 12.822 10.472 459 2HB ARG 58 1HB ARG 58 -10.360 12.430 9.621 460 1HG ARG 58 2HG ARG 58 -11.270 13.584 7.940 461 2HG ARG 58 1HG ARG 58 -12.190 12.107 7.648 462 1HD ARG 58 2HD ARG 58 -14.050 13.294 7.947 463 2HD ARG 58 1HD ARG 58 -13.600 13.468 9.641 464 HE ARG 58 HE ARG 58 -12.220 15.456 8.441 465 1HH1 ARG 58 1HH1 ARG 58 -15.580 14.509 8.355 466 2HH1 ARG 58 2HH1 ARG 58 -16.150 16.120 8.092 467 1HH2 ARG 58 1HH2 ARG 58 -12.970 17.574 8.097 468 2HH2 ARG 58 2HH2 ARG 58 -14.680 17.862 7.946 469 H GLN 59 H GLN 59 -13.240 11.093 11.794 470 HA GLN 59 HA GLN 59 -15.710 10.572 10.280 471 1HB GLN 59 2HB GLN 59 -16.550 9.314 12.296 472 2HB GLN 59 1HB GLN 59 -15.300 8.500 11.378 473 1HG GLN 59 2HG GLN 59 -14.100 10.103 13.425 474 2HG GLN 59 1HG GLN 59 -15.350 9.067 14.126 475 1HE2 GLN 59 1HE2 GLN 59 -12.620 8.948 11.859 476 2HE2 GLN 59 2HE2 GLN 59 -12.070 7.381 12.334 477 H ALA 60 H ALA 60 -17.630 10.972 11.999 478 HA ALA 60 HA ALA 60 -17.570 13.761 12.503 479 1HB ALA 60 1HB ALA 60 -19.800 13.351 13.578 480 2HB ALA 60 2HB ALA 60 -19.550 11.628 13.291 481 3HB ALA 60 3HB ALA 60 -19.650 12.742 11.929 482 H ALA 61 H ALA 61 -18.030 11.073 14.810 483 HA ALA 61 HA ALA 61 -16.360 12.498 16.743 484 1HB ALA 61 1HB ALA 61 -18.260 11.701 18.445 485 2HB ALA 61 2HB ALA 61 -19.260 11.971 17.020 486 3HB ALA 61 3HB ALA 61 -18.280 13.284 17.668 Start of MODEL 9 1 1H MET 1 1HT MET 1 -4.124 8.515 1.573 2 2H MET 1 2HT MET 1 -5.179 7.193 1.863 3 3H MET 1 3HT MET 1 -5.481 8.263 0.555 4 HA MET 1 HA MET 1 -3.248 7.586 -0.303 5 1HB MET 1 2HB MET 1 -3.514 5.999 2.122 6 2HB MET 1 1HB MET 1 -3.209 4.990 0.714 7 1HG MET 1 2HG MET 1 -1.115 5.781 0.422 8 2HG MET 1 1HG MET 1 -1.518 7.390 1.018 9 1HE MET 1 1HE MET 1 0.520 7.827 2.774 10 2HE MET 1 2HE MET 1 -0.115 7.497 4.386 11 3HE MET 1 3HE MET 1 -1.144 8.258 3.171 12 H TYR 2 H TYR 2 -3.823 6.986 -2.279 13 HA TYR 2 HA TYR 2 -6.267 5.440 -2.658 14 1HB TYR 2 2HB TYR 2 -4.601 7.214 -4.393 15 2HB TYR 2 1HB TYR 2 -5.621 6.000 -5.158 16 HD1 TYR 2 1HD TYR 2 -7.320 7.242 -6.168 17 HD2 TYR 2 2HD TYR 2 -6.301 8.034 -2.115 18 HE1 TYR 2 1HE TYR 2 -9.256 8.747 -5.983 19 HE2 TYR 2 2HE TYR 2 -8.234 9.540 -1.918 20 HH TYR 2 HH TYR 2 -9.637 10.979 -3.710 21 H LYS 3 H LYS 3 -6.364 3.489 -3.731 22 HA LYS 3 HA LYS 3 -4.240 1.708 -3.406 23 1HB LYS 3 2HB LYS 3 -6.744 1.220 -3.726 24 2HB LYS 3 1HB LYS 3 -6.417 1.324 -5.451 25 1HG LYS 3 2HG LYS 3 -4.470 -0.391 -4.639 26 2HG LYS 3 1HG LYS 3 -5.785 -0.796 -3.532 27 1HD LYS 3 2HD LYS 3 -7.289 -1.022 -5.503 28 2HD LYS 3 1HD LYS 3 -5.889 -0.771 -6.548 29 1HE LYS 3 2HE LYS 3 -4.857 -2.770 -5.784 30 2HE LYS 3 1HE LYS 3 -6.025 -2.949 -4.474 31 1HZ LYS 3 1HZ LYS 3 -7.722 -3.061 -6.397 32 2HZ LYS 3 2HZ LYS 3 -6.794 -4.428 -6.040 33 3HZ LYS 3 3HZ LYS 3 -6.380 -3.448 -7.354 34 H LYS 4 H LYS 4 -5.342 3.449 -6.289 35 HA LYS 4 HA LYS 4 -3.724 2.324 -8.213 36 1HB LYS 4 2HB LYS 4 -5.489 4.022 -8.626 37 2HB LYS 4 1HB LYS 4 -4.416 5.256 -7.980 38 1HG LYS 4 2HG LYS 4 -3.361 3.589 -10.182 39 2HG LYS 4 1HG LYS 4 -4.635 4.743 -10.582 40 1HD LYS 4 2HD LYS 4 -3.053 6.314 -9.081 41 2HD LYS 4 1HD LYS 4 -1.841 5.209 -9.735 42 1HE LYS 4 2HE LYS 4 -1.946 6.149 -11.754 43 2HE LYS 4 1HE LYS 4 -3.708 6.094 -11.768 44 1HZ LYS 4 1HZ LYS 4 -2.374 8.118 -10.114 45 2HZ LYS 4 2HZ LYS 4 -3.873 8.185 -10.896 46 3HZ LYS 4 3HZ LYS 4 -2.446 8.359 -11.787 47 H ASP 5 H ASP 5 -2.891 4.717 -5.776 48 HA ASP 5 HA ASP 5 -0.296 5.274 -6.854 49 1HB ASP 5 2HB ASP 5 -1.657 5.903 -4.243 50 2HB ASP 5 1HB ASP 5 0.045 6.278 -4.502 51 H VAL 6 H VAL 6 -1.421 3.465 -3.990 52 HA VAL 6 HA VAL 6 1.009 2.524 -3.097 53 HB VAL 6 HB VAL 6 -1.481 0.837 -3.023 54 1HG1 VAL 6 1HG1 VAL 6 -0.625 0.059 -0.965 55 2HG1 VAL 6 2HG1 VAL 6 0.591 1.334 -0.915 56 3HG1 VAL 6 3HG1 VAL 6 0.717 0.044 -2.108 57 1HG2 VAL 6 1HG2 VAL 6 -1.708 2.265 -0.759 58 2HG2 VAL 6 2HG2 VAL 6 -2.530 2.696 -2.259 59 3HG2 VAL 6 3HG2 VAL 6 -1.023 3.498 -1.818 60 H ILE 7 H ILE 7 -1.238 0.980 -5.383 61 HA ILE 7 HA ILE 7 0.254 -1.332 -5.870 62 HB ILE 7 HB ILE 7 -1.634 0.138 -7.718 63 1HG1 ILE 7 2HG1 ILE 7 -2.734 -0.544 -5.676 64 2HG1 ILE 7 1HG1 ILE 7 -3.248 -1.611 -6.976 65 1HG2 ILE 7 1HG2 ILE 7 -1.839 -1.996 -8.916 66 2HG2 ILE 7 2HG2 ILE 7 -0.570 -2.677 -7.898 67 3HG2 ILE 7 3HG2 ILE 7 -0.202 -1.345 -8.993 68 1HD1 ILE 7 1HD1 ILE 7 -1.134 -2.979 -5.974 69 2HD1 ILE 7 2HD1 ILE 7 -2.813 -3.230 -5.501 70 3HD1 ILE 7 3HD1 ILE 7 -1.767 -2.198 -4.525 71 H ASP 8 H ASP 8 0.504 1.894 -7.208 72 HA ASP 8 HA ASP 8 2.296 1.171 -9.321 73 1HB ASP 8 2HB ASP 8 0.787 3.438 -8.631 74 2HB ASP 8 1HB ASP 8 2.467 3.957 -8.563 75 H HIS 9 H HIS 9 2.584 1.997 -5.981 76 HA HIS 9 HA HIS 9 5.385 2.649 -6.133 77 1HB HIS 9 2HB HIS 9 4.136 3.787 -4.440 78 2HB HIS 9 1HB HIS 9 3.474 2.277 -3.825 79 HD1 HIS 9 1HD HIS 9 6.126 4.663 -3.247 80 HD2 HIS 9 2HD HIS 9 5.570 0.600 -2.577 81 HE1 HIS 9 1HE HIS 9 7.852 4.022 -1.534 82 HE2 HIS 9 2HE HIS 9 7.560 1.539 -1.221 83 H PHE 10 H PHE 10 3.386 -0.113 -5.419 84 HA PHE 10 HA PHE 10 5.679 -1.697 -4.558 85 1HB PHE 10 2HB PHE 10 2.711 -2.091 -4.521 86 2HB PHE 10 1HB PHE 10 3.783 -3.481 -4.378 87 HD1 PHE 10 1HD PHE 10 2.507 -0.493 -2.760 88 HD2 PHE 10 2HD PHE 10 5.246 -3.725 -2.458 89 HE1 PHE 10 1HE PHE 10 2.772 -0.031 -0.358 90 HE2 PHE 10 2HE PHE 10 5.521 -3.277 -0.051 91 HZ PHE 10 HZ PHE 10 4.281 -1.424 1.001 92 H GLY 11 H GLY 11 3.515 -1.306 -7.271 93 1HA GLY 11 2HA GLY 11 4.027 -1.956 -9.479 94 2HA GLY 11 1HA GLY 11 5.221 -3.079 -8.846 95 H THR 12 H THR 12 3.803 -4.566 -7.078 96 HA THR 12 HA THR 12 1.635 -5.737 -8.692 97 HB THR 12 HB THR 12 2.421 -7.945 -7.578 98 HG1 THR 12 1HG THR 12 4.802 -6.417 -7.404 99 1HG2 THR 12 1HG2 THR 12 2.670 -7.822 -9.902 100 2HG2 THR 12 2HG2 THR 12 4.267 -8.245 -9.284 101 3HG2 THR 12 3HG2 THR 12 3.925 -6.589 -9.787 102 H GLN 13 H GLN 13 0.496 -7.489 -7.135 103 HA GLN 13 HA GLN 13 -0.548 -5.894 -4.945 104 1HB GLN 13 2HB GLN 13 -1.429 -8.659 -5.770 105 2HB GLN 13 1HB GLN 13 -2.335 -7.476 -4.837 106 1HG GLN 13 2HG GLN 13 -1.479 -6.759 -7.592 107 2HG GLN 13 1HG GLN 13 -2.820 -7.883 -7.384 108 1HE2 GLN 13 1HE2 GLN 13 -4.449 -7.100 -5.677 109 2HE2 GLN 13 2HE2 GLN 13 -4.927 -5.446 -5.811 110 H ARG 14 H ARG 14 0.695 -9.217 -5.325 111 HA ARG 14 HA ARG 14 0.764 -10.001 -2.698 112 1HB ARG 14 2HB ARG 14 1.364 -11.382 -4.713 113 2HB ARG 14 1HB ARG 14 2.945 -10.614 -4.694 114 1HG ARG 14 2HG ARG 14 2.399 -11.612 -2.087 115 2HG ARG 14 1HG ARG 14 2.072 -12.888 -3.261 116 1HD ARG 14 2HD ARG 14 4.407 -11.898 -4.213 117 2HD ARG 14 1HD ARG 14 4.615 -11.631 -2.483 118 HE ARG 14 HE ARG 14 3.700 -14.273 -3.102 119 1HH1 ARG 14 1HH1 ARG 14 6.525 -12.235 -2.872 120 2HH1 ARG 14 2HH1 ARG 14 7.609 -13.556 -2.593 121 1HH2 ARG 14 1HH2 ARG 14 5.126 -16.012 -2.737 122 2HH2 ARG 14 2HH2 ARG 14 6.815 -15.700 -2.518 123 H ALA 15 H ALA 15 2.888 -7.764 -4.324 124 HA ALA 15 HA ALA 15 5.005 -7.749 -2.464 125 1HB ALA 15 1HB ALA 15 5.892 -6.291 -3.893 126 2HB ALA 15 2HB ALA 15 4.559 -5.157 -3.671 127 3HB ALA 15 3HB ALA 15 4.424 -6.456 -4.856 128 H VAL 16 H VAL 16 2.191 -5.586 -2.779 129 HA VAL 16 HA VAL 16 2.678 -3.946 -0.607 130 HB VAL 16 HB VAL 16 -0.149 -4.722 -1.122 131 1HG1 VAL 16 1HG1 VAL 16 -0.563 -2.433 -0.790 132 2HG1 VAL 16 2HG1 VAL 16 1.124 -2.010 -1.074 133 3HG1 VAL 16 3HG1 VAL 16 0.668 -2.869 0.396 134 1HG2 VAL 16 1HG2 VAL 16 0.415 -4.777 -3.368 135 2HG2 VAL 16 2HG2 VAL 16 1.691 -3.576 -3.184 136 3HG2 VAL 16 3HG2 VAL 16 0.000 -3.079 -3.138 137 H ALA 17 H ALA 17 0.896 -7.011 -0.733 138 HA ALA 17 HA ALA 17 0.154 -7.033 1.998 139 1HB ALA 17 1HB ALA 17 0.301 -9.696 1.162 140 2HB ALA 17 2HB ALA 17 -0.113 -8.772 -0.283 141 3HB ALA 17 3HB ALA 17 -1.120 -8.650 1.160 142 H LYS 18 H LYS 18 3.021 -8.055 0.285 143 HA LYS 18 HA LYS 18 4.122 -9.666 2.341 144 1HB LYS 18 2HB LYS 18 4.822 -8.917 -0.286 145 2HB LYS 18 1HB LYS 18 6.163 -8.417 0.736 146 1HG LYS 18 2HG LYS 18 6.424 -10.653 1.577 147 2HG LYS 18 1HG LYS 18 4.981 -11.186 0.712 148 1HD LYS 18 2HD LYS 18 6.738 -11.895 -0.650 149 2HD LYS 18 1HD LYS 18 6.206 -10.391 -1.404 150 1HE LYS 18 2HE LYS 18 8.159 -9.744 0.549 151 2HE LYS 18 1HE LYS 18 8.787 -11.078 -0.418 152 1HZ LYS 18 1HZ LYS 18 9.118 -8.622 -1.173 153 2HZ LYS 18 2HZ LYS 18 7.553 -8.796 -1.789 154 3HZ LYS 18 3HZ LYS 18 8.786 -9.827 -2.315 155 H ALA 19 H ALA 19 4.124 -6.236 1.706 156 HA ALA 19 HA ALA 19 6.147 -5.720 3.732 157 1HB ALA 19 1HB ALA 19 6.504 -4.161 2.132 158 2HB ALA 19 2HB ALA 19 5.304 -3.265 3.064 159 3HB ALA 19 3HB ALA 19 4.818 -4.145 1.616 160 H LEU 20 H LEU 20 2.675 -5.304 3.244 161 HA LEU 20 HA LEU 20 2.303 -3.968 5.768 162 1HB LEU 20 2HB LEU 20 0.811 -4.301 3.410 163 2HB LEU 20 1HB LEU 20 -0.120 -5.084 4.673 164 HG LEU 20 HG LEU 20 0.922 -2.286 5.012 165 1HD1 LEU 20 1HD1 LEU 20 -1.260 -1.477 4.243 166 2HD1 LEU 20 2HD1 LEU 20 -1.695 -3.119 3.769 167 3HD1 LEU 20 3HD1 LEU 20 -0.368 -2.290 2.955 168 1HD2 LEU 20 1HD2 LEU 20 -1.308 -3.880 6.261 169 2HD2 LEU 20 2HD2 LEU 20 -1.040 -2.160 6.538 170 3HD2 LEU 20 3HD2 LEU 20 0.180 -3.332 7.034 171 H GLY 21 H GLY 21 2.213 -7.240 4.584 172 1HA GLY 21 2HA GLY 21 2.477 -9.092 6.059 173 2HA GLY 21 1HA GLY 21 1.712 -8.152 7.331 174 H ILE 22 H ILE 22 -0.260 -7.442 4.951 175 HA ILE 22 HA ILE 22 -2.209 -9.411 5.728 176 HB ILE 22 HB ILE 22 -3.734 -8.179 4.215 177 1HG1 ILE 22 2HG1 ILE 22 -1.362 -6.359 3.754 178 2HG1 ILE 22 1HG1 ILE 22 -1.988 -7.501 2.571 179 1HG2 ILE 22 1HG2 ILE 22 -2.881 -7.464 6.658 180 2HG2 ILE 22 2HG2 ILE 22 -4.128 -6.590 5.769 181 3HG2 ILE 22 3HG2 ILE 22 -2.462 -6.009 5.755 182 1HD1 ILE 22 1HD1 ILE 22 -2.684 -5.074 2.341 183 2HD1 ILE 22 2HD1 ILE 22 -3.701 -5.349 3.754 184 3HD1 ILE 22 3HD1 ILE 22 -3.962 -6.285 2.283 185 H SER 23 H SER 23 -3.699 -10.101 3.719 186 HA SER 23 HA SER 23 -1.933 -11.709 2.033 187 1HB SER 23 2HB SER 23 -4.828 -11.918 2.821 188 2HB SER 23 1HB SER 23 -4.204 -12.819 1.438 189 HG SER 23 HG SER 23 -3.670 -14.216 2.920 190 H ASP 24 H ASP 24 -2.622 -12.073 -0.250 191 HA ASP 24 HA ASP 24 -2.683 -9.658 -1.665 192 1HB ASP 24 2HB ASP 24 -3.143 -11.108 -3.664 193 2HB ASP 24 1HB ASP 24 -1.756 -11.615 -2.703 194 H ALA 25 H ALA 25 -5.245 -11.758 -0.565 195 HA ALA 25 HA ALA 25 -7.333 -10.826 -2.191 196 1HB ALA 25 1HB ALA 25 -7.347 -11.998 0.582 197 2HB ALA 25 2HB ALA 25 -7.667 -12.820 -0.946 198 3HB ALA 25 3HB ALA 25 -8.814 -11.634 -0.325 199 H ALA 26 H ALA 26 -6.259 -9.751 1.025 200 HA ALA 26 HA ALA 26 -8.195 -7.769 1.413 201 1HB ALA 26 1HB ALA 26 -7.096 -8.126 3.361 202 2HB ALA 26 2HB ALA 26 -6.144 -6.752 2.800 203 3HB ALA 26 3HB ALA 26 -5.545 -8.394 2.566 204 H VAL 27 H VAL 27 -5.060 -7.657 -0.206 205 HA VAL 27 HA VAL 27 -5.052 -4.846 -0.630 206 HB VAL 27 HB VAL 27 -3.578 -6.965 -2.200 207 1HG1 VAL 27 1HG1 VAL 27 -3.032 -4.019 -1.848 208 2HG1 VAL 27 2HG1 VAL 27 -3.633 -4.797 -3.314 209 3HG1 VAL 27 3HG1 VAL 27 -2.011 -5.161 -2.724 210 1HG2 VAL 27 1HG2 VAL 27 -3.254 -6.940 0.332 211 2HG2 VAL 27 2HG2 VAL 27 -2.474 -5.375 0.096 212 3HG2 VAL 27 3HG2 VAL 27 -1.806 -6.817 -0.669 213 H SER 28 H SER 28 -5.971 -7.615 -2.650 214 HA SER 28 HA SER 28 -6.615 -6.083 -4.945 215 1HB SER 28 2HB SER 28 -6.138 -8.500 -5.048 216 2HB SER 28 1HB SER 28 -7.613 -8.826 -4.142 217 HG SER 28 HG SER 28 -8.583 -8.808 -5.993 218 H GLN 29 H GLN 29 -8.386 -6.984 -2.078 219 HA GLN 29 HA GLN 29 -10.960 -6.307 -3.109 220 1HB GLN 29 2HB GLN 29 -10.520 -7.901 -1.208 221 2HB GLN 29 1HB GLN 29 -10.150 -6.501 -0.211 222 1HG GLN 29 2HG GLN 29 -12.430 -5.641 -0.695 223 2HG GLN 29 1HG GLN 29 -12.780 -7.168 -1.509 224 1HE2 GLN 29 1HE2 GLN 29 -13.050 -9.018 -0.304 225 2HE2 GLN 29 2HE2 GLN 29 -13.250 -9.000 1.413 226 H TRP 30 H TRP 30 -8.336 -4.452 -2.074 227 HA TRP 30 HA TRP 30 -9.488 -2.332 -0.706 228 1HB TRP 30 2HB TRP 30 -7.133 -2.508 -2.567 229 2HB TRP 30 1HB TRP 30 -7.610 -0.969 -1.858 230 HD1 TRP 30 HD TRP 30 -8.412 -3.048 0.869 231 HE1 TRP 30 1HE TRP 30 -6.457 -3.369 2.513 232 HE3 TRP 30 3HE TRP 30 -4.567 -1.508 -2.130 233 HZ2 TRP 30 2HZ TRP 30 -3.656 -3.016 2.535 234 HZ3 TRP 30 3HZ TRP 30 -2.282 -1.528 -1.221 235 HH2 TRP 30 HH TRP 30 -1.836 -2.267 1.062 236 H LYS 31 H LYS 31 -9.660 -0.047 -1.646 237 HA LYS 31 HA LYS 31 -10.970 -0.079 -4.274 238 1HB LYS 31 2HB LYS 31 -12.080 1.467 -1.936 239 2HB LYS 31 1HB LYS 31 -12.830 1.170 -3.493 240 1HG LYS 31 2HG LYS 31 -12.160 -1.098 -1.664 241 2HG LYS 31 1HG LYS 31 -13.640 -0.155 -1.443 242 1HD LYS 31 2HD LYS 31 -13.370 -0.845 -4.205 243 2HD LYS 31 1HD LYS 31 -13.190 -2.300 -3.226 244 1HE LYS 31 2HE LYS 31 -15.460 -2.257 -3.483 245 2HE LYS 31 1HE LYS 31 -15.300 -1.339 -1.988 246 1HZ LYS 31 1HZ LYS 31 -15.110 0.610 -3.786 247 2HZ LYS 31 2HZ LYS 31 -16.570 0.121 -3.098 248 3HZ LYS 31 3HZ LYS 31 -16.120 -0.452 -4.624 249 H GLU 32 H GLU 32 -11.730 2.616 -4.291 250 HA GLU 32 HA GLU 32 -9.535 3.912 -5.274 251 1HB GLU 32 2HB GLU 32 -12.200 4.559 -4.851 252 2HB GLU 32 1HB GLU 32 -11.320 5.782 -3.941 253 1HG GLU 32 2HG GLU 32 -10.020 6.325 -5.954 254 2HG GLU 32 1HG GLU 32 -10.960 5.133 -6.856 255 H VAL 33 H VAL 33 -10.490 3.554 -1.944 256 HA VAL 33 HA VAL 33 -8.017 4.915 -1.139 257 HB VAL 33 HB VAL 33 -10.630 5.223 0.343 258 1HG1 VAL 33 1HG1 VAL 33 -7.828 5.988 0.872 259 2HG1 VAL 33 2HG1 VAL 33 -9.138 5.620 1.994 260 3HG1 VAL 33 3HG1 VAL 33 -9.051 7.207 1.231 261 1HG2 VAL 33 1HG2 VAL 33 -9.396 6.818 -1.820 262 2HG2 VAL 33 2HG2 VAL 33 -10.070 7.713 -0.460 263 3HG2 VAL 33 3HG2 VAL 33 -11.090 6.612 -1.388 264 H ILE 34 H ILE 34 -6.794 3.402 -0.239 265 HA ILE 34 HA ILE 34 -7.629 0.920 0.705 266 HB ILE 34 HB ILE 34 -5.417 0.940 1.989 267 1HG1 ILE 34 2HG1 ILE 34 -4.899 3.443 0.390 268 2HG1 ILE 34 1HG1 ILE 34 -5.432 3.505 2.068 269 1HG2 ILE 34 1HG2 ILE 34 -5.926 0.189 -0.449 270 2HG2 ILE 34 2HG2 ILE 34 -4.254 0.342 0.094 271 3HG2 ILE 34 3HG2 ILE 34 -4.984 1.615 -0.885 272 1HD1 ILE 34 1HD1 ILE 34 -2.856 2.485 0.947 273 2HD1 ILE 34 2HD1 ILE 34 -3.422 1.984 2.541 274 3HD1 ILE 34 3HD1 ILE 34 -3.127 3.690 2.206 275 HA PRO 35 HA PRO 35 -9.440 1.364 4.688 276 1HB PRO 35 2HB PRO 35 -7.743 -0.410 6.101 277 2HB PRO 35 1HB PRO 35 -9.308 -0.780 5.379 278 1HG PRO 35 2HG PRO 35 -6.586 -1.305 4.355 279 2HG PRO 35 1HG PRO 35 -8.094 -2.174 4.041 280 1HD PRO 35 2HD PRO 35 -6.926 -0.570 2.206 281 2HD PRO 35 1HD PRO 35 -8.686 -0.773 2.313 282 H GLU 36 H GLU 36 -8.708 1.646 7.096 283 HA GLU 36 HA GLU 36 -6.990 3.935 7.134 284 1HB GLU 36 2HB GLU 36 -9.006 3.810 8.520 285 2HB GLU 36 1HB GLU 36 -8.324 2.451 9.401 286 1HG GLU 36 2HG GLU 36 -6.368 4.222 9.788 287 2HG GLU 36 1HG GLU 36 -7.719 5.336 9.587 288 H LYS 37 H LYS 37 -6.880 0.979 9.129 289 HA LYS 37 HA LYS 37 -4.335 1.355 10.138 290 1HB LYS 37 2HB LYS 37 -4.330 -1.112 10.549 291 2HB LYS 37 1HB LYS 37 -5.772 -0.282 11.119 292 1HG LYS 37 2HG LYS 37 -6.686 -0.978 8.745 293 2HG LYS 37 1HG LYS 37 -5.450 -2.227 8.900 294 1HD LYS 37 2HD LYS 37 -6.427 -2.809 11.124 295 2HD LYS 37 1HD LYS 37 -7.736 -1.674 10.788 296 1HE LYS 37 2HE LYS 37 -7.178 -3.674 8.692 297 2HE LYS 37 1HE LYS 37 -7.841 -4.300 10.201 298 1HZ LYS 37 1HZ LYS 37 -9.818 -3.316 9.842 299 2HZ LYS 37 2HZ LYS 37 -9.343 -3.371 8.221 300 3HZ LYS 37 3HZ LYS 37 -9.148 -1.946 9.110 301 H ASP 38 H ASP 38 -5.223 0.263 6.970 302 HA ASP 38 HA ASP 38 -2.654 -0.926 6.426 303 1HB ASP 38 2HB ASP 38 -5.070 -0.298 4.749 304 2HB ASP 38 1HB ASP 38 -3.559 -0.804 4.001 305 H ALA 39 H ALA 39 -4.350 2.037 5.437 306 HA ALA 39 HA ALA 39 -2.276 3.141 3.919 307 1HB ALA 39 1HB ALA 39 -4.420 4.092 3.686 308 2HB ALA 39 2HB ALA 39 -3.427 5.338 4.442 309 3HB ALA 39 3HB ALA 39 -4.558 4.399 5.417 310 H TYR 40 H TYR 40 -2.748 2.928 7.361 311 HA TYR 40 HA TYR 40 -0.916 5.011 8.058 312 1HB TYR 40 2HB TYR 40 -2.660 4.318 9.616 313 2HB TYR 40 1HB TYR 40 -1.985 2.688 9.679 314 HD1 TYR 40 1HD TYR 40 -1.204 6.239 10.462 315 HD2 TYR 40 2HD TYR 40 -0.336 2.149 11.247 316 HE1 TYR 40 1HE TYR 40 0.227 6.911 12.344 317 HE2 TYR 40 2HE TYR 40 1.096 2.809 13.136 318 HH TYR 40 HH TYR 40 2.360 4.762 13.893 319 H ARG 41 H ARG 41 -0.694 1.454 8.276 320 HA ARG 41 HA ARG 41 2.046 1.402 8.930 321 1HB ARG 41 2HB ARG 41 0.134 -0.640 7.836 322 2HB ARG 41 1HB ARG 41 1.841 -1.018 8.023 323 1HG ARG 41 2HG ARG 41 1.677 -0.471 10.417 324 2HG ARG 41 1HG ARG 41 -0.049 -0.171 10.209 325 1HD ARG 41 2HD ARG 41 -0.426 -2.332 10.560 326 2HD ARG 41 1HD ARG 41 0.456 -2.695 9.078 327 HE ARG 41 HE ARG 41 2.236 -3.393 10.341 328 1HH1 ARG 41 1HH1 ARG 41 0.010 -1.640 12.379 329 2HH1 ARG 41 2HH1 ARG 41 0.821 -2.070 13.848 330 1HH2 ARG 41 1HH2 ARG 41 3.303 -3.961 12.273 331 2HH2 ARG 41 2HH2 ARG 41 2.690 -3.387 13.787 332 H LEU 42 H LEU 42 0.361 1.581 5.883 333 HA LEU 42 HA LEU 42 2.365 0.724 4.144 334 1HB LEU 42 2HB LEU 42 -0.061 2.380 3.947 335 2HB LEU 42 1HB LEU 42 1.141 2.687 2.708 336 HG LEU 42 HG LEU 42 0.054 -0.060 3.311 337 1HD1 LEU 42 1HD1 LEU 42 -1.011 0.577 0.921 338 2HD1 LEU 42 2HD1 LEU 42 -1.054 2.151 1.716 339 3HD1 LEU 42 3HD1 LEU 42 -1.857 0.767 2.458 340 1HD2 LEU 42 1HD2 LEU 42 1.921 1.101 1.304 341 2HD2 LEU 42 2HD2 LEU 42 0.878 -0.236 0.820 342 3HD2 LEU 42 3HD2 LEU 42 1.999 -0.436 2.166 343 H GLU 43 H GLU 43 1.842 3.861 5.658 344 HA GLU 43 HA GLU 43 3.753 5.314 4.192 345 1HB GLU 43 2HB GLU 43 1.961 6.266 5.683 346 2HB GLU 43 1HB GLU 43 2.949 5.806 7.062 347 1HG GLU 43 2HG GLU 43 4.694 7.297 6.392 348 2HG GLU 43 1HG GLU 43 3.871 7.650 4.872 349 H ILE 44 H ILE 44 4.138 2.891 6.571 350 HA ILE 44 HA ILE 44 6.794 3.787 7.358 351 HB ILE 44 HB ILE 44 5.390 1.239 8.149 352 1HG1 ILE 44 2HG1 ILE 44 5.135 4.045 9.122 353 2HG1 ILE 44 1HG1 ILE 44 3.923 2.773 9.037 354 1HG2 ILE 44 1HG2 ILE 44 7.910 1.478 8.416 355 2HG2 ILE 44 2HG2 ILE 44 6.993 1.051 9.861 356 3HG2 ILE 44 3HG2 ILE 44 7.555 2.707 9.631 357 1HD1 ILE 44 1HD1 ILE 44 4.382 3.317 11.329 358 2HD1 ILE 44 2HD1 ILE 44 6.106 3.039 11.085 359 3HD1 ILE 44 3HD1 ILE 44 4.973 1.692 10.984 360 H VAL 45 H VAL 45 5.325 0.953 5.780 361 HA VAL 45 HA VAL 45 7.718 -0.386 5.195 362 HB VAL 45 HB VAL 45 6.332 -1.423 3.285 363 1HG1 VAL 45 1HG1 VAL 45 6.607 -2.747 5.167 364 2HG1 VAL 45 2HG1 VAL 45 4.852 -2.607 5.049 365 3HG1 VAL 45 3HG1 VAL 45 5.740 -1.620 6.210 366 1HG2 VAL 45 1HG2 VAL 45 4.004 -1.063 3.247 367 2HG2 VAL 45 2HG2 VAL 45 4.732 0.543 3.263 368 3HG2 VAL 45 3HG2 VAL 45 4.046 -0.128 4.742 369 H THR 46 H THR 46 5.940 2.077 3.419 370 HA THR 46 HA THR 46 7.631 1.924 1.108 371 HB THR 46 HB THR 46 6.343 3.887 0.358 372 HG1 THR 46 1HG THR 46 4.958 3.675 2.813 373 1HG2 THR 46 1HG2 THR 46 4.935 2.346 -0.374 374 2HG2 THR 46 2HG2 THR 46 3.981 2.653 1.078 375 3HG2 THR 46 3HG2 THR 46 5.171 1.350 1.061 376 H ALA 47 H ALA 47 8.342 2.974 4.091 377 HA ALA 47 HA ALA 47 9.987 4.290 4.944 378 1HB ALA 47 1HB ALA 47 10.976 3.540 2.539 379 2HB ALA 47 2HB ALA 47 11.847 4.539 3.702 380 3HB ALA 47 3HB ALA 47 10.981 5.296 2.365 381 H GLY 48 H GLY 48 7.339 5.321 4.356 382 1HA GLY 48 2HA GLY 48 6.325 7.363 4.759 383 2HA GLY 48 1HA GLY 48 7.912 8.116 4.743 384 H ALA 49 H ALA 49 6.923 6.131 2.075 385 HA ALA 49 HA ALA 49 7.391 8.118 0.159 386 1HB ALA 49 1HB ALA 49 7.310 5.572 -0.129 387 2HB ALA 49 2HB ALA 49 6.691 6.570 -1.445 388 3HB ALA 49 3HB ALA 49 5.571 5.784 -0.331 389 H LEU 50 H LEU 50 4.281 6.776 1.275 390 HA LEU 50 HA LEU 50 2.861 8.978 0.005 391 1HB LEU 50 2HB LEU 50 1.830 6.590 1.539 392 2HB LEU 50 1HB LEU 50 0.829 7.767 0.708 393 HG LEU 50 HG LEU 50 2.896 6.373 -0.906 394 1HD1 LEU 50 1HD1 LEU 50 1.453 4.784 0.717 395 2HD1 LEU 50 2HD1 LEU 50 1.977 4.316 -0.901 396 3HD1 LEU 50 3HD1 LEU 50 0.342 4.929 -0.645 397 1HD2 LEU 50 1HD2 LEU 50 0.082 6.635 -1.749 398 2HD2 LEU 50 2HD2 LEU 50 1.571 6.944 -2.643 399 3HD2 LEU 50 3HD2 LEU 50 0.963 8.141 -1.499 400 H LYS 51 H LYS 51 1.155 10.122 1.254 401 HA LYS 51 HA LYS 51 2.059 10.628 4.015 402 1HB LYS 51 2HB LYS 51 2.128 12.423 1.990 403 2HB LYS 51 1HB LYS 51 0.516 12.730 2.620 404 1HG LYS 51 2HG LYS 51 1.624 12.920 4.905 405 2HG LYS 51 1HG LYS 51 3.150 13.002 4.023 406 1HD LYS 51 2HD LYS 51 0.833 14.822 3.421 407 2HD LYS 51 1HD LYS 51 2.058 15.216 4.628 408 1HE LYS 51 2HE LYS 51 3.767 15.311 3.020 409 2HE LYS 51 1HE LYS 51 2.790 14.480 1.811 410 1HZ LYS 51 1HZ LYS 51 1.286 16.619 2.258 411 2HZ LYS 51 2HZ LYS 51 2.490 16.571 1.071 412 3HZ LYS 51 3HZ LYS 51 2.810 17.283 2.571 413 H TYR 52 H TYR 52 0.674 9.749 5.402 414 HA TYR 52 HA TYR 52 -1.972 9.018 4.824 415 1HB TYR 52 2HB TYR 52 -0.458 8.171 6.706 416 2HB TYR 52 1HB TYR 52 -0.947 9.608 7.598 417 HD1 TYR 52 1HD TYR 52 -1.882 6.284 6.545 418 HD2 TYR 52 2HD TYR 52 -3.363 9.920 8.183 419 HE1 TYR 52 1HE TYR 52 -3.897 5.107 7.319 420 HE2 TYR 52 2HE TYR 52 -5.381 8.753 8.963 421 HH TYR 52 HH TYR 52 -6.561 6.837 8.874 422 H GLN 53 H GLN 53 -3.904 10.010 5.070 423 HA GLN 53 HA GLN 53 -3.920 12.736 6.177 424 1HB GLN 53 2HB GLN 53 -5.077 11.746 3.585 425 2HB GLN 53 1HB GLN 53 -5.738 13.163 4.386 426 1HG GLN 53 2HG GLN 53 -3.937 14.451 3.912 427 2HG GLN 53 1HG GLN 53 -2.811 13.096 3.980 428 1HE2 GLN 53 1HE2 GLN 53 -2.109 12.271 2.129 429 2HE2 GLN 53 2HE2 GLN 53 -2.766 12.604 0.567 430 H GLU 54 H GLU 54 -5.085 12.625 7.982 431 HA GLU 54 HA GLU 54 -6.898 10.669 8.708 432 1HB GLU 54 2HB GLU 54 -6.232 13.382 9.649 433 2HB GLU 54 1HB GLU 54 -7.836 12.816 10.097 434 1HG GLU 54 2HG GLU 54 -7.036 11.379 11.602 435 2HG GLU 54 1HG GLU 54 -5.738 10.839 10.538 436 H ASN 55 H ASN 55 -7.423 13.585 6.838 437 HA ASN 55 HA ASN 55 -10.190 13.772 6.965 438 1HB ASN 55 2HB ASN 55 -9.959 14.798 4.627 439 2HB ASN 55 1HB ASN 55 -9.060 15.563 5.936 440 1HD2 ASN 55 1HD2 ASN 55 -8.782 13.301 3.252 441 2HD2 ASN 55 2HD2 ASN 55 -7.105 13.582 2.951 442 H ALA 56 H ALA 56 -8.219 11.428 5.375 443 HA ALA 56 HA ALA 56 -10.500 10.446 3.814 444 1HB ALA 56 1HB ALA 56 -9.049 9.641 2.295 445 2HB ALA 56 2HB ALA 56 -7.898 9.106 3.521 446 3HB ALA 56 3HB ALA 56 -7.942 10.800 3.033 447 H TYR 57 H TYR 57 -9.821 10.100 6.820 448 HA TYR 57 HA TYR 57 -10.660 7.329 6.931 449 1HB TYR 57 2HB TYR 57 -8.199 8.159 8.470 450 2HB TYR 57 1HB TYR 57 -8.883 6.543 8.323 451 HD1 TYR 57 1HD TYR 57 -6.564 8.901 6.965 452 HD2 TYR 57 2HD TYR 57 -8.856 5.445 6.018 453 HE1 TYR 57 1HE TYR 57 -5.099 8.464 5.040 454 HE2 TYR 57 2HE TYR 57 -7.394 4.998 4.094 455 HH TYR 57 HH TYR 57 -5.535 5.595 3.002 456 H ARG 58 H ARG 58 -11.730 9.983 7.618 457 HA ARG 58 HA ARG 58 -12.240 9.489 10.476 458 1HB ARG 58 2HB ARG 58 -10.810 11.506 10.077 459 2HB ARG 58 1HB ARG 58 -12.140 12.208 9.160 460 1HG ARG 58 2HG ARG 58 -12.190 13.133 11.349 461 2HG ARG 58 1HG ARG 58 -13.550 12.026 11.201 462 1HD ARG 58 2HD ARG 58 -11.590 10.381 12.150 463 2HD ARG 58 1HD ARG 58 -11.200 11.905 12.948 464 HE ARG 58 HE ARG 58 -13.980 11.178 13.116 465 1HH1 ARG 58 1HH1 ARG 58 -10.830 10.818 14.580 466 2HH1 ARG 58 2HH1 ARG 58 -11.470 10.436 16.146 467 1HH2 ARG 58 1HH2 ARG 58 -14.810 10.674 15.175 468 2HH2 ARG 58 2HH2 ARG 58 -13.730 10.354 16.484 469 H GLN 59 H GLN 59 -14.150 8.382 10.121 470 HA GLN 59 HA GLN 59 -16.440 10.029 9.567 471 1HB GLN 59 2HB GLN 59 -17.350 8.487 7.824 472 2HB GLN 59 1HB GLN 59 -15.940 9.407 7.303 473 1HG GLN 59 2HG GLN 59 -14.570 7.559 7.287 474 2HG GLN 59 1HG GLN 59 -15.580 6.670 8.426 475 1HE2 GLN 59 1HE2 GLN 59 -17.960 6.500 7.456 476 2HE2 GLN 59 2HE2 GLN 59 -18.000 5.824 5.864 477 H ALA 60 H ALA 60 -18.480 8.899 10.016 478 HA ALA 60 HA ALA 60 -18.070 6.815 12.047 479 1HB ALA 60 1HB ALA 60 -19.980 9.055 11.754 480 2HB ALA 60 2HB ALA 60 -19.220 8.385 13.200 481 3HB ALA 60 3HB ALA 60 -20.610 7.571 12.470 482 H ALA 61 H ALA 61 -20.130 5.384 12.293 483 HA ALA 61 HA ALA 61 -20.500 4.067 9.734 484 1HB ALA 61 1HB ALA 61 -19.970 2.811 11.824 485 2HB ALA 61 2HB ALA 61 -21.410 2.237 10.981 486 3HB ALA 61 3HB ALA 61 -21.570 3.234 12.426 Start of MODEL 10 1 1H MET 1 1HT MET 1 -5.565 8.851 -0.256 2 2H MET 1 2HT MET 1 -4.443 8.620 1.023 3 3H MET 1 3HT MET 1 -5.764 7.541 0.831 4 HA MET 1 HA MET 1 -3.697 7.929 -1.214 5 1HB MET 1 2HB MET 1 -3.749 6.253 1.263 6 2HB MET 1 1HB MET 1 -2.993 5.600 -0.183 7 1HG MET 1 2HG MET 1 -1.144 6.629 0.468 8 2HG MET 1 1HG MET 1 -1.932 8.134 0.001 9 1HE MET 1 1HE MET 1 -0.503 5.930 2.379 10 2HE MET 1 2HE MET 1 -0.876 6.480 4.012 11 3HE MET 1 3HE MET 1 0.306 7.353 3.037 12 H TYR 2 H TYR 2 -4.299 6.993 -3.051 13 HA TYR 2 HA TYR 2 -6.673 5.317 -3.091 14 1HB TYR 2 2HB TYR 2 -5.088 6.811 -5.131 15 2HB TYR 2 1HB TYR 2 -6.056 5.442 -5.668 16 HD1 TYR 2 1HD TYR 2 -6.812 7.941 -3.012 17 HD2 TYR 2 2HD TYR 2 -7.814 6.412 -6.854 18 HE1 TYR 2 1HE TYR 2 -8.808 9.375 -3.056 19 HE2 TYR 2 2HE TYR 2 -9.814 7.843 -6.908 20 HH TYR 2 HH TYR 2 -11.320 8.958 -5.177 21 H LYS 3 H LYS 3 -6.753 3.216 -3.865 22 HA LYS 3 HA LYS 3 -4.612 1.536 -3.249 23 1HB LYS 3 2HB LYS 3 -7.181 1.069 -3.626 24 2HB LYS 3 1HB LYS 3 -6.652 0.676 -5.255 25 1HG LYS 3 2HG LYS 3 -4.927 -0.613 -3.383 26 2HG LYS 3 1HG LYS 3 -6.605 -0.957 -2.963 27 1HD LYS 3 2HD LYS 3 -5.649 -1.207 -5.792 28 2HD LYS 3 1HD LYS 3 -5.394 -2.513 -4.634 29 1HE LYS 3 2HE LYS 3 -7.575 -3.083 -4.603 30 2HE LYS 3 1HE LYS 3 -8.119 -1.409 -4.706 31 1HZ LYS 3 1HZ LYS 3 -6.854 -2.487 -7.089 32 2HZ LYS 3 2HZ LYS 3 -8.208 -1.483 -6.941 33 3HZ LYS 3 3HZ LYS 3 -8.360 -3.150 -6.694 34 H LYS 4 H LYS 4 -5.511 3.094 -6.251 35 HA LYS 4 HA LYS 4 -3.886 1.580 -7.989 36 1HB LYS 4 2HB LYS 4 -5.765 3.312 -8.503 37 2HB LYS 4 1HB LYS 4 -4.461 4.488 -8.444 38 1HG LYS 4 2HG LYS 4 -4.945 3.742 -10.725 39 2HG LYS 4 1HG LYS 4 -3.299 3.346 -10.228 40 1HD LYS 4 2HD LYS 4 -3.669 1.126 -10.333 41 2HD LYS 4 1HD LYS 4 -5.298 1.265 -9.670 42 1HE LYS 4 2HE LYS 4 -4.495 1.920 -12.504 43 2HE LYS 4 1HE LYS 4 -5.306 0.443 -11.986 44 1HZ LYS 4 1HZ LYS 4 -6.948 2.280 -10.992 45 2HZ LYS 4 2HZ LYS 4 -7.130 1.611 -12.535 46 3HZ LYS 4 3HZ LYS 4 -6.378 3.115 -12.349 47 H ASP 5 H ASP 5 -3.216 4.254 -5.850 48 HA ASP 5 HA ASP 5 -0.680 4.924 -6.981 49 1HB ASP 5 2HB ASP 5 -2.061 6.483 -5.597 50 2HB ASP 5 1HB ASP 5 -1.690 5.496 -4.186 51 H VAL 6 H VAL 6 -1.681 3.051 -4.123 52 HA VAL 6 HA VAL 6 0.826 2.403 -3.148 53 HB VAL 6 HB VAL 6 -1.457 0.455 -3.058 54 1HG1 VAL 6 1HG1 VAL 6 0.816 1.222 -1.273 55 2HG1 VAL 6 2HG1 VAL 6 0.436 -0.355 -1.963 56 3HG1 VAL 6 3HG1 VAL 6 -0.566 0.309 -0.673 57 1HG2 VAL 6 1HG2 VAL 6 -2.099 1.827 -0.941 58 2HG2 VAL 6 2HG2 VAL 6 -2.672 2.353 -2.525 59 3HG2 VAL 6 3HG2 VAL 6 -1.291 3.155 -1.777 60 H ILE 7 H ILE 7 -1.198 0.669 -5.493 61 HA ILE 7 HA ILE 7 0.537 -1.514 -5.875 62 HB ILE 7 HB ILE 7 -1.482 -0.345 -7.797 63 1HG1 ILE 7 2HG1 ILE 7 -1.771 -2.660 -5.873 64 2HG1 ILE 7 1HG1 ILE 7 -2.371 -1.035 -5.563 65 1HG2 ILE 7 1HG2 ILE 7 -0.211 -3.079 -7.755 66 2HG2 ILE 7 2HG2 ILE 7 0.125 -1.799 -8.921 67 3HG2 ILE 7 3HG2 ILE 7 -1.474 -2.541 -8.861 68 1HD1 ILE 7 1HD1 ILE 7 -4.151 -2.478 -6.331 69 2HD1 ILE 7 2HD1 ILE 7 -3.241 -2.853 -7.794 70 3HD1 ILE 7 3HD1 ILE 7 -3.830 -1.215 -7.518 71 H ASP 8 H ASP 8 0.325 1.641 -7.425 72 HA ASP 8 HA ASP 8 2.268 1.045 -9.443 73 1HB ASP 8 2HB ASP 8 0.425 3.125 -8.929 74 2HB ASP 8 1HB ASP 8 2.021 3.870 -8.944 75 H HIS 9 H HIS 9 2.329 2.107 -6.168 76 HA HIS 9 HA HIS 9 4.991 3.199 -6.300 77 1HB HIS 9 2HB HIS 9 3.498 4.200 -4.709 78 2HB HIS 9 1HB HIS 9 3.111 2.637 -4.004 79 HD1 HIS 9 1HD HIS 9 5.025 5.520 -3.301 80 HD2 HIS 9 2HD HIS 9 5.691 1.441 -2.878 81 HE1 HIS 9 1HE HIS 9 6.861 5.311 -1.594 82 HE2 HIS 9 2HE HIS 9 7.309 2.837 -1.425 83 H PHE 10 H PHE 10 3.476 0.158 -5.597 84 HA PHE 10 HA PHE 10 5.948 -0.944 -4.513 85 1HB PHE 10 2HB PHE 10 3.123 -1.962 -4.678 86 2HB PHE 10 1HB PHE 10 4.461 -3.033 -4.275 87 HD1 PHE 10 1HD PHE 10 4.267 -3.556 -2.040 88 HD2 PHE 10 2HD PHE 10 3.757 0.482 -3.274 89 HE1 PHE 10 1HE PHE 10 4.111 -2.858 0.314 90 HE2 PHE 10 2HE PHE 10 3.600 1.188 -0.925 91 HZ PHE 10 HZ PHE 10 3.778 -0.483 0.875 92 H GLY 11 H GLY 11 3.645 -1.542 -7.154 93 1HA GLY 11 2HA GLY 11 4.603 -1.957 -9.376 94 2HA GLY 11 1HA GLY 11 5.819 -2.946 -8.582 95 H THR 12 H THR 12 3.834 -4.157 -6.769 96 HA THR 12 HA THR 12 2.134 -5.666 -8.607 97 HB THR 12 HB THR 12 2.909 -7.818 -7.654 98 HG1 THR 12 1HG THR 12 5.021 -6.301 -6.533 99 1HG2 THR 12 1HG2 THR 12 3.895 -7.146 -9.754 100 2HG2 THR 12 2HG2 THR 12 5.096 -7.952 -8.743 101 3HG2 THR 12 3HG2 THR 12 5.112 -6.195 -8.902 102 H GLN 13 H GLN 13 0.942 -7.439 -7.144 103 HA GLN 13 HA GLN 13 -0.370 -5.887 -5.064 104 1HB GLN 13 2HB GLN 13 -1.039 -8.478 -6.450 105 2HB GLN 13 1HB GLN 13 -1.947 -7.900 -5.059 106 1HG GLN 13 2HG GLN 13 -1.561 -6.067 -7.367 107 2HG GLN 13 1HG GLN 13 -2.721 -7.388 -7.513 108 1HE2 GLN 13 1HE2 GLN 13 -4.014 -7.581 -5.289 109 2HE2 GLN 13 2HE2 GLN 13 -4.764 -6.100 -4.809 110 H ARG 14 H ARG 14 1.044 -9.142 -5.396 111 HA ARG 14 HA ARG 14 0.833 -9.988 -2.778 112 1HB ARG 14 2HB ARG 14 1.675 -11.282 -4.805 113 2HB ARG 14 1HB ARG 14 3.246 -10.552 -4.495 114 1HG ARG 14 2HG ARG 14 3.564 -11.739 -2.548 115 2HG ARG 14 1HG ARG 14 1.837 -12.005 -2.304 116 1HD ARG 14 2HD ARG 14 1.810 -13.548 -4.204 117 2HD ARG 14 1HD ARG 14 3.536 -13.278 -4.449 118 HE ARG 14 HE ARG 14 3.411 -14.124 -1.886 119 1HH1 ARG 14 1HH1 ARG 14 2.140 -15.401 -4.875 120 2HH1 ARG 14 2HH1 ARG 14 2.230 -17.048 -4.356 121 1HH2 ARG 14 1HH2 ARG 14 3.528 -16.292 -1.201 122 2HH2 ARG 14 2HH2 ARG 14 3.015 -17.556 -2.268 123 H ALA 15 H ALA 15 3.083 -7.708 -4.166 124 HA ALA 15 HA ALA 15 5.001 -7.696 -2.101 125 1HB ALA 15 1HB ALA 15 5.180 -6.671 -4.428 126 2HB ALA 15 2HB ALA 15 5.866 -5.749 -3.090 127 3HB ALA 15 3HB ALA 15 4.301 -5.293 -3.763 128 H VAL 16 H VAL 16 2.139 -5.665 -2.655 129 HA VAL 16 HA VAL 16 2.441 -4.025 -0.404 130 HB VAL 16 HB VAL 16 -0.348 -4.627 -1.146 131 1HG1 VAL 16 1HG1 VAL 16 1.303 -2.115 -1.007 132 2HG1 VAL 16 2HG1 VAL 16 0.234 -2.742 0.247 133 3HG1 VAL 16 3HG1 VAL 16 -0.437 -2.171 -1.283 134 1HG2 VAL 16 1HG2 VAL 16 -0.011 -3.219 -3.288 135 2HG2 VAL 16 2HG2 VAL 16 0.357 -4.942 -3.344 136 3HG2 VAL 16 3HG2 VAL 16 1.664 -3.766 -3.197 137 H ALA 17 H ALA 17 0.906 -7.161 -0.826 138 HA ALA 17 HA ALA 17 -0.337 -7.251 1.726 139 1HB ALA 17 1HB ALA 17 -1.184 -9.202 1.021 140 2HB ALA 17 2HB ALA 17 0.397 -9.833 0.559 141 3HB ALA 17 3HB ALA 17 -0.481 -8.768 -0.538 142 H LYS 18 H LYS 18 2.842 -8.101 0.538 143 HA LYS 18 HA LYS 18 3.615 -9.543 2.897 144 1HB LYS 18 2HB LYS 18 4.688 -9.080 0.294 145 2HB LYS 18 1HB LYS 18 5.903 -8.615 1.476 146 1HG LYS 18 2HG LYS 18 6.266 -10.732 2.133 147 2HG LYS 18 1HG LYS 18 4.564 -11.177 2.000 148 1HD LYS 18 2HD LYS 18 5.400 -10.700 -0.622 149 2HD LYS 18 1HD LYS 18 6.729 -11.587 0.131 150 1HE LYS 18 2HE LYS 18 5.014 -13.035 -0.956 151 2HE LYS 18 1HE LYS 18 5.273 -13.376 0.754 152 1HZ LYS 18 1HZ LYS 18 2.877 -13.157 -0.222 153 2HZ LYS 18 2HZ LYS 18 3.146 -11.502 0.002 154 3HZ LYS 18 3HZ LYS 18 3.233 -12.558 1.320 155 H ALA 19 H ALA 19 3.740 -6.238 1.816 156 HA ALA 19 HA ALA 19 5.697 -5.309 3.647 157 1HB ALA 19 1HB ALA 19 3.720 -4.068 1.825 158 2HB ALA 19 2HB ALA 19 5.456 -3.792 1.976 159 3HB ALA 19 3HB ALA 19 4.343 -3.074 3.141 160 H LEU 20 H LEU 20 2.137 -5.092 3.675 161 HA LEU 20 HA LEU 20 2.115 -4.074 6.368 162 1HB LEU 20 2HB LEU 20 -0.257 -5.128 4.849 163 2HB LEU 20 1HB LEU 20 -0.240 -3.948 6.146 164 HG LEU 20 HG LEU 20 1.196 -3.280 3.621 165 1HD1 LEU 20 1HD1 LEU 20 -1.212 -2.222 3.092 166 2HD1 LEU 20 2HD1 LEU 20 -1.709 -3.723 3.873 167 3HD1 LEU 20 3HD1 LEU 20 -0.668 -3.773 2.450 168 1HD2 LEU 20 1HD2 LEU 20 -0.493 -1.643 5.508 169 2HD2 LEU 20 2HD2 LEU 20 0.532 -1.038 4.206 170 3HD2 LEU 20 3HD2 LEU 20 1.259 -1.813 5.613 171 H GLY 21 H GLY 21 1.652 -7.170 4.796 172 1HA GLY 21 2HA GLY 21 2.180 -9.178 6.037 173 2HA GLY 21 1HA GLY 21 1.508 -8.410 7.468 174 H ILE 22 H ILE 22 -0.106 -8.165 4.396 175 HA ILE 22 HA ILE 22 -2.202 -9.970 5.414 176 HB ILE 22 HB ILE 22 -3.787 -8.702 4.006 177 1HG1 ILE 22 2HG1 ILE 22 -1.474 -6.797 3.588 178 2HG1 ILE 22 1HG1 ILE 22 -2.110 -7.888 2.361 179 1HG2 ILE 22 1HG2 ILE 22 -2.294 -7.532 6.267 180 2HG2 ILE 22 2HG2 ILE 22 -4.012 -7.895 6.105 181 3HG2 ILE 22 3HG2 ILE 22 -3.347 -6.436 5.370 182 1HD1 ILE 22 1HD1 ILE 22 -4.115 -6.703 2.190 183 2HD1 ILE 22 2HD1 ILE 22 -2.863 -5.464 2.289 184 3HD1 ILE 22 3HD1 ILE 22 -3.839 -5.847 3.707 185 H SER 23 H SER 23 -3.686 -10.575 3.357 186 HA SER 23 HA SER 23 -1.881 -12.048 1.597 187 1HB SER 23 2HB SER 23 -4.741 -12.350 2.423 188 2HB SER 23 1HB SER 23 -4.225 -13.048 0.887 189 HG SER 23 HG SER 23 -3.136 -13.577 3.455 190 H ASP 24 H ASP 24 -2.517 -12.270 -0.718 191 HA ASP 24 HA ASP 24 -2.564 -9.779 -1.988 192 1HB ASP 24 2HB ASP 24 -2.948 -11.077 -4.076 193 2HB ASP 24 1HB ASP 24 -1.636 -11.723 -3.095 194 H ALA 25 H ALA 25 -5.145 -11.945 -1.068 195 HA ALA 25 HA ALA 25 -7.200 -10.862 -2.655 196 1HB ALA 25 1HB ALA 25 -7.952 -11.872 0.010 197 2HB ALA 25 2HB ALA 25 -7.030 -12.982 -1.004 198 3HB ALA 25 3HB ALA 25 -8.556 -12.314 -1.586 199 H ALA 26 H ALA 26 -6.013 -10.023 0.567 200 HA ALA 26 HA ALA 26 -8.008 -8.168 1.240 201 1HB ALA 26 1HB ALA 26 -6.590 -8.962 2.964 202 2HB ALA 26 2HB ALA 26 -6.256 -7.238 2.796 203 3HB ALA 26 3HB ALA 26 -5.141 -8.424 2.115 204 H VAL 27 H VAL 27 -5.016 -7.833 -0.587 205 HA VAL 27 HA VAL 27 -5.021 -5.006 -0.735 206 HB VAL 27 HB VAL 27 -3.813 -6.929 -2.726 207 1HG1 VAL 27 1HG1 VAL 27 -3.970 -4.540 -3.408 208 2HG1 VAL 27 2HG1 VAL 27 -2.316 -5.139 -3.284 209 3HG1 VAL 27 3HG1 VAL 27 -2.984 -4.121 -2.007 210 1HG2 VAL 27 1HG2 VAL 27 -1.716 -6.380 -1.280 211 2HG2 VAL 27 2HG2 VAL 27 -2.840 -7.633 -0.754 212 3HG2 VAL 27 3HG2 VAL 27 -2.904 -6.029 -0.026 213 H SER 28 H SER 28 -6.059 -7.485 -3.076 214 HA SER 28 HA SER 28 -7.054 -5.646 -4.978 215 1HB SER 28 2HB SER 28 -6.461 -8.126 -5.310 216 2HB SER 28 1HB SER 28 -8.065 -8.469 -4.662 217 HG SER 28 HG SER 28 -8.816 -6.957 -6.357 218 H GLN 29 H GLN 29 -8.458 -7.181 -2.167 219 HA GLN 29 HA GLN 29 -11.170 -6.645 -2.731 220 1HB GLN 29 2HB GLN 29 -10.310 -8.241 -0.995 221 2HB GLN 29 1HB GLN 29 -9.888 -6.852 -0.004 222 1HG GLN 29 2HG GLN 29 -12.090 -6.294 0.399 223 2HG GLN 29 1HG GLN 29 -12.680 -7.189 -1.003 224 1HE2 GLN 29 1HE2 GLN 29 -11.850 -9.630 -0.799 225 2HE2 GLN 29 2HE2 GLN 29 -12.310 -10.377 0.690 226 H TRP 30 H TRP 30 -8.589 -4.629 -1.646 227 HA TRP 30 HA TRP 30 -9.909 -2.661 -0.213 228 1HB TRP 30 2HB TRP 30 -7.560 -2.472 -2.098 229 2HB TRP 30 1HB TRP 30 -8.113 -1.118 -1.120 230 HD1 TRP 30 HD TRP 30 -8.724 -3.427 1.347 231 HE1 TRP 30 1HE TRP 30 -6.689 -4.001 2.814 232 HE3 TRP 30 3HE TRP 30 -5.003 -1.752 -1.734 233 HZ2 TRP 30 2HZ TRP 30 -3.877 -3.774 2.681 234 HZ3 TRP 30 3HZ TRP 30 -2.669 -1.965 -0.989 235 HH2 TRP 30 HH TRP 30 -2.119 -2.956 1.175 236 H LYS 31 H LYS 31 -10.450 -0.443 -0.920 237 HA LYS 31 HA LYS 31 -11.870 -0.506 -3.498 238 1HB LYS 31 2HB LYS 31 -12.470 1.336 -1.189 239 2HB LYS 31 1HB LYS 31 -13.480 0.980 -2.584 240 1HG LYS 31 2HG LYS 31 -14.500 -0.592 -1.415 241 2HG LYS 31 1HG LYS 31 -12.980 -1.477 -1.304 242 1HD LYS 31 2HD LYS 31 -12.690 -0.919 0.846 243 2HD LYS 31 1HD LYS 31 -13.160 0.758 0.568 244 1HE LYS 31 2HE LYS 31 -15.410 -1.067 0.346 245 2HE LYS 31 1HE LYS 31 -14.620 -1.175 1.920 246 1HZ LYS 31 1HZ LYS 31 -14.750 1.443 1.679 247 2HZ LYS 31 2HZ LYS 31 -16.020 0.537 2.335 248 3HZ LYS 31 3HZ LYS 31 -16.090 1.045 0.722 249 H GLU 32 H GLU 32 -12.420 2.236 -3.677 250 HA GLU 32 HA GLU 32 -10.270 3.224 -5.084 251 1HB GLU 32 2HB GLU 32 -12.770 4.278 -4.051 252 2HB GLU 32 1HB GLU 32 -11.510 5.505 -4.060 253 1HG GLU 32 2HG GLU 32 -11.220 5.341 -6.378 254 2HG GLU 32 1HG GLU 32 -12.100 3.816 -6.467 255 H VAL 33 H VAL 33 -10.900 3.445 -1.644 256 HA VAL 33 HA VAL 33 -8.283 4.751 -1.309 257 HB VAL 33 HB VAL 33 -10.630 5.063 0.555 258 1HG1 VAL 33 1HG1 VAL 33 -7.817 5.929 0.588 259 2HG1 VAL 33 2HG1 VAL 33 -8.919 5.591 1.923 260 3HG1 VAL 33 3HG1 VAL 33 -9.007 7.135 1.077 261 1HG2 VAL 33 1HG2 VAL 33 -10.880 7.312 -0.335 262 2HG2 VAL 33 2HG2 VAL 33 -11.080 6.116 -1.616 263 3HG2 VAL 33 3HG2 VAL 33 -9.580 7.021 -1.483 264 H ILE 34 H ILE 34 -6.843 3.535 -0.287 265 HA ILE 34 HA ILE 34 -7.311 0.976 0.677 266 HB ILE 34 HB ILE 34 -5.114 1.286 1.933 267 1HG1 ILE 34 2HG1 ILE 34 -5.070 3.897 0.410 268 2HG1 ILE 34 1HG1 ILE 34 -5.377 3.778 2.140 269 1HG2 ILE 34 1HG2 ILE 34 -4.557 0.275 0.025 270 2HG2 ILE 34 2HG2 ILE 34 -4.043 1.869 -0.525 271 3HG2 ILE 34 3HG2 ILE 34 -5.654 1.273 -0.927 272 1HD1 ILE 34 1HD1 ILE 34 -3.117 2.530 2.205 273 2HD1 ILE 34 2HD1 ILE 34 -3.131 4.286 2.042 274 3HD1 ILE 34 3HD1 ILE 34 -2.857 3.270 0.626 275 HA PRO 35 HA PRO 35 -9.171 1.153 4.656 276 1HB PRO 35 2HB PRO 35 -6.877 -0.522 5.580 277 2HB PRO 35 1HB PRO 35 -8.614 -0.781 5.781 278 1HG PRO 35 2HG PRO 35 -7.251 -2.176 3.978 279 2HG PRO 35 1HG PRO 35 -8.881 -1.579 3.615 280 1HD PRO 35 2HD PRO 35 -6.236 -0.559 2.682 281 2HD PRO 35 1HD PRO 35 -7.788 -0.626 1.823 282 H GLU 36 H GLU 36 -8.916 2.032 6.752 283 HA GLU 36 HA GLU 36 -7.119 4.203 6.919 284 1HB GLU 36 2HB GLU 36 -9.309 4.223 8.006 285 2HB GLU 36 1HB GLU 36 -8.810 2.915 9.069 286 1HG GLU 36 2HG GLU 36 -6.887 4.640 9.663 287 2HG GLU 36 1HG GLU 36 -8.114 5.791 9.138 288 H LYS 37 H LYS 37 -6.958 0.911 8.057 289 HA LYS 37 HA LYS 37 -4.663 1.469 9.751 290 1HB LYS 37 2HB LYS 37 -6.407 -0.903 9.262 291 2HB LYS 37 1HB LYS 37 -4.796 -1.162 9.916 292 1HG LYS 37 2HG LYS 37 -5.499 0.660 11.636 293 2HG LYS 37 1HG LYS 37 -7.135 0.224 11.138 294 1HD LYS 37 2HD LYS 37 -6.511 -2.176 11.613 295 2HD LYS 37 1HD LYS 37 -5.036 -1.557 12.361 296 1HE LYS 37 2HE LYS 37 -6.519 -0.140 13.828 297 2HE LYS 37 1HE LYS 37 -7.885 -1.060 13.199 298 1HZ LYS 37 1HZ LYS 37 -6.791 -3.089 14.023 299 2HZ LYS 37 2HZ LYS 37 -7.163 -2.005 15.266 300 3HZ LYS 37 3HZ LYS 37 -5.571 -2.142 14.713 301 H ASP 38 H ASP 38 -5.334 0.295 6.561 302 HA ASP 38 HA ASP 38 -2.764 -0.961 6.219 303 1HB ASP 38 2HB ASP 38 -5.180 -0.533 4.556 304 2HB ASP 38 1HB ASP 38 -3.654 -0.671 3.687 305 H ALA 39 H ALA 39 -4.251 2.125 5.427 306 HA ALA 39 HA ALA 39 -2.131 3.103 3.815 307 1HB ALA 39 1HB ALA 39 -4.517 3.974 3.930 308 2HB ALA 39 2HB ALA 39 -3.235 5.182 3.864 309 3HB ALA 39 3HB ALA 39 -4.024 4.817 5.398 310 H TYR 40 H TYR 40 -2.632 2.882 7.238 311 HA TYR 40 HA TYR 40 -0.781 4.894 8.021 312 1HB TYR 40 2HB TYR 40 -2.509 4.111 9.551 313 2HB TYR 40 1HB TYR 40 -1.826 2.484 9.524 314 HD1 TYR 40 1HD TYR 40 -1.181 5.972 10.591 315 HD2 TYR 40 2HD TYR 40 -0.046 1.889 10.960 316 HE1 TYR 40 1HE TYR 40 0.249 6.550 12.505 317 HE2 TYR 40 2HE TYR 40 1.388 2.455 12.877 318 HH TYR 40 HH TYR 40 2.146 5.695 13.711 319 H ARG 41 H ARG 41 -0.533 1.334 8.046 320 HA ARG 41 HA ARG 41 2.176 1.209 8.729 321 1HB ARG 41 2HB ARG 41 0.439 -0.725 7.193 322 2HB ARG 41 1HB ARG 41 2.077 -1.096 7.716 323 1HG ARG 41 2HG ARG 41 1.428 -1.537 9.799 324 2HG ARG 41 1HG ARG 41 0.411 -0.096 9.877 325 1HD ARG 41 2HD ARG 41 -1.446 -1.254 9.413 326 2HD ARG 41 1HD ARG 41 -0.661 -2.158 8.119 327 HE ARG 41 HE ARG 41 0.123 -3.011 10.746 328 1HH1 ARG 41 1HH1 ARG 41 -2.263 -3.367 8.224 329 2HH1 ARG 41 2HH1 ARG 41 -2.746 -4.951 8.730 330 1HH2 ARG 41 1HH2 ARG 41 -0.510 -5.094 11.414 331 2HH2 ARG 41 2HH2 ARG 41 -1.750 -5.932 10.543 332 H LEU 42 H LEU 42 0.611 1.765 5.668 333 HA LEU 42 HA LEU 42 2.638 1.101 3.892 334 1HB LEU 42 2HB LEU 42 0.359 3.007 3.853 335 2HB LEU 42 1HB LEU 42 1.584 3.189 2.615 336 HG LEU 42 HG LEU 42 0.094 0.616 3.132 337 1HD1 LEU 42 1HD1 LEU 42 -1.010 2.907 2.115 338 2HD1 LEU 42 2HD1 LEU 42 -1.571 1.266 1.795 339 3HD1 LEU 42 3HD1 LEU 42 -0.476 2.060 0.662 340 1HD2 LEU 42 1HD2 LEU 42 2.437 0.756 1.965 341 2HD2 LEU 42 2HD2 LEU 42 1.487 1.329 0.594 342 3HD2 LEU 42 3HD2 LEU 42 1.157 -0.256 1.295 343 H GLU 43 H GLU 43 2.154 4.052 5.764 344 HA GLU 43 HA GLU 43 4.130 5.636 4.588 345 1HB GLU 43 2HB GLU 43 2.394 6.421 6.199 346 2HB GLU 43 1HB GLU 43 3.298 5.650 7.493 347 1HG GLU 43 2HG GLU 43 5.262 7.111 6.692 348 2HG GLU 43 1HG GLU 43 4.021 8.046 5.858 349 H ILE 44 H ILE 44 4.435 2.885 6.630 350 HA ILE 44 HA ILE 44 7.129 3.556 7.482 351 HB ILE 44 HB ILE 44 5.646 0.966 7.901 352 1HG1 ILE 44 2HG1 ILE 44 5.505 3.599 9.290 353 2HG1 ILE 44 1HG1 ILE 44 4.245 2.399 9.032 354 1HG2 ILE 44 1HG2 ILE 44 7.231 0.624 9.713 355 2HG2 ILE 44 2HG2 ILE 44 7.997 2.173 9.358 356 3HG2 ILE 44 3HG2 ILE 44 8.082 0.857 8.186 357 1HD1 ILE 44 1HD1 ILE 44 4.778 2.604 11.380 358 2HD1 ILE 44 2HD1 ILE 44 6.470 2.234 11.047 359 3HD1 ILE 44 3HD1 ILE 44 5.233 1.005 10.785 360 H VAL 45 H VAL 45 5.565 1.015 5.536 361 HA VAL 45 HA VAL 45 7.940 -0.249 4.720 362 HB VAL 45 HB VAL 45 6.491 -1.067 2.765 363 1HG1 VAL 45 1HG1 VAL 45 4.932 -2.146 4.788 364 2HG1 VAL 45 2HG1 VAL 45 6.435 -1.694 5.592 365 3HG1 VAL 45 3HG1 VAL 45 6.471 -2.773 4.198 366 1HG2 VAL 45 1HG2 VAL 45 4.904 0.898 3.009 367 2HG2 VAL 45 2HG2 VAL 45 4.247 0.060 4.414 368 3HG2 VAL 45 3HG2 VAL 45 4.168 -0.694 2.822 369 H THR 46 H THR 46 6.100 2.406 3.320 370 HA THR 46 HA THR 46 7.712 2.520 0.947 371 HB THR 46 HB THR 46 6.373 4.544 0.465 372 HG1 THR 46 1HG THR 46 4.671 5.030 1.930 373 1HG2 THR 46 1HG2 THR 46 4.836 3.214 -0.387 374 2HG2 THR 46 2HG2 THR 46 4.116 3.001 1.208 375 3HG2 THR 46 3HG2 THR 46 5.391 1.912 0.664 376 H ALA 47 H ALA 47 8.687 3.136 3.898 377 HA ALA 47 HA ALA 47 10.320 4.414 4.829 378 1HB ALA 47 1HB ALA 47 11.864 4.100 3.190 379 2HB ALA 47 2HB ALA 47 11.634 5.839 3.015 380 3HB ALA 47 3HB ALA 47 10.811 4.727 1.921 381 H GLY 48 H GLY 48 7.586 5.462 4.459 382 1HA GLY 48 2HA GLY 48 6.546 7.400 5.171 383 2HA GLY 48 1HA GLY 48 8.127 8.158 5.293 384 H ALA 49 H ALA 49 7.303 6.671 2.289 385 HA ALA 49 HA ALA 49 7.546 9.142 0.892 386 1HB ALA 49 1HB ALA 49 8.229 7.551 -0.542 387 2HB ALA 49 2HB ALA 49 6.520 7.451 -0.964 388 3HB ALA 49 3HB ALA 49 7.212 6.310 0.190 389 H LEU 50 H LEU 50 4.827 7.001 1.655 390 HA LEU 50 HA LEU 50 2.947 8.891 0.474 391 1HB LEU 50 2HB LEU 50 2.635 6.142 1.666 392 2HB LEU 50 1HB LEU 50 1.261 7.131 1.209 393 HG LEU 50 HG LEU 50 3.424 6.386 -0.749 394 1HD1 LEU 50 1HD1 LEU 50 0.952 4.880 0.044 395 2HD1 LEU 50 2HD1 LEU 50 2.608 4.289 -0.093 396 3HD1 LEU 50 3HD1 LEU 50 1.695 4.696 -1.545 397 1HD2 LEU 50 1HD2 LEU 50 0.784 7.738 -0.862 398 2HD2 LEU 50 2HD2 LEU 50 1.241 6.703 -2.215 399 3HD2 LEU 50 3HD2 LEU 50 2.266 8.065 -1.762 400 H LYS 51 H LYS 51 2.304 10.550 1.676 401 HA LYS 51 HA LYS 51 2.478 10.490 4.550 402 1HB LYS 51 2HB LYS 51 2.101 12.507 2.470 403 2HB LYS 51 1HB LYS 51 1.097 12.795 3.885 404 1HG LYS 51 2HG LYS 51 2.874 13.811 4.750 405 2HG LYS 51 1HG LYS 51 3.540 12.194 4.986 406 1HD LYS 51 2HD LYS 51 5.188 13.518 3.863 407 2HD LYS 51 1HD LYS 51 4.542 12.355 2.703 408 1HE LYS 51 2HE LYS 51 4.837 14.733 1.876 409 2HE LYS 51 1HE LYS 51 3.256 14.000 1.613 410 1HZ LYS 51 1HZ LYS 51 3.526 16.402 2.624 411 2HZ LYS 51 2HZ LYS 51 3.645 15.533 4.070 412 3HZ LYS 51 3HZ LYS 51 2.267 15.376 3.101 413 H TYR 52 H TYR 52 0.934 9.926 5.923 414 HA TYR 52 HA TYR 52 -1.647 9.114 4.952 415 1HB TYR 52 2HB TYR 52 -0.364 7.937 6.778 416 2HB TYR 52 1HB TYR 52 -0.731 9.303 7.826 417 HD1 TYR 52 1HD TYR 52 -3.284 9.908 8.015 418 HD2 TYR 52 2HD TYR 52 -1.800 6.121 6.767 419 HE1 TYR 52 1HE TYR 52 -5.430 8.875 8.619 420 HE2 TYR 52 2HE TYR 52 -3.945 5.077 7.367 421 HH TYR 52 HH TYR 52 -6.445 6.001 7.574 422 H GLN 53 H GLN 53 -3.569 10.136 5.151 423 HA GLN 53 HA GLN 53 -3.614 12.694 6.607 424 1HB GLN 53 2HB GLN 53 -4.922 12.139 3.938 425 2HB GLN 53 1HB GLN 53 -5.020 13.645 4.840 426 1HG GLN 53 2HG GLN 53 -3.201 14.367 3.823 427 2HG GLN 53 1HG GLN 53 -2.282 13.039 4.527 428 1HE2 GLN 53 1HE2 GLN 53 -1.701 14.151 2.044 429 2HE2 GLN 53 2HE2 GLN 53 -1.998 12.967 0.822 430 H GLU 54 H GLU 54 -4.813 12.175 8.345 431 HA GLU 54 HA GLU 54 -6.838 10.282 8.504 432 1HB GLU 54 2HB GLU 54 -6.011 12.623 10.126 433 2HB GLU 54 1HB GLU 54 -7.630 12.000 10.414 434 1HG GLU 54 2HG GLU 54 -6.699 9.786 10.859 435 2HG GLU 54 1HG GLU 54 -5.076 10.414 10.574 436 H ASN 55 H ASN 55 -6.919 13.507 7.234 437 HA ASN 55 HA ASN 55 -9.637 14.095 7.430 438 1HB ASN 55 2HB ASN 55 -7.472 15.363 6.369 439 2HB ASN 55 1HB ASN 55 -8.338 14.904 4.907 440 1HD2 ASN 55 1HD2 ASN 55 -9.258 16.067 8.135 441 2HD2 ASN 55 2HD2 ASN 55 -10.270 17.343 7.569 442 H ALA 56 H ALA 56 -7.933 11.927 5.303 443 HA ALA 56 HA ALA 56 -10.350 11.487 3.710 444 1HB ALA 56 1HB ALA 56 -7.884 11.806 2.811 445 2HB ALA 56 2HB ALA 56 -9.035 10.738 2.010 446 3HB ALA 56 3HB ALA 56 -7.821 10.067 3.098 447 H TYR 57 H TYR 57 -9.640 10.482 6.550 448 HA TYR 57 HA TYR 57 -10.590 7.759 6.075 449 1HB TYR 57 2HB TYR 57 -8.250 8.401 7.881 450 2HB TYR 57 1HB TYR 57 -8.996 6.819 7.683 451 HD1 TYR 57 1HD TYR 57 -6.403 8.948 6.598 452 HD2 TYR 57 2HD TYR 57 -9.026 5.892 5.230 453 HE1 TYR 57 1HE TYR 57 -4.862 8.465 4.742 454 HE2 TYR 57 2HE TYR 57 -7.495 5.401 3.370 455 HH TYR 57 HH TYR 57 -4.828 7.447 2.593 456 H ARG 58 H ARG 58 -11.650 10.361 7.151 457 HA ARG 58 HA ARG 58 -12.350 9.485 9.870 458 1HB ARG 58 2HB ARG 58 -11.570 12.006 8.836 459 2HB ARG 58 1HB ARG 58 -13.260 12.147 9.308 460 1HG ARG 58 2HG ARG 58 -12.770 12.101 11.482 461 2HG ARG 58 1HG ARG 58 -11.630 10.772 11.291 462 1HD ARG 58 2HD ARG 58 -9.853 12.182 10.909 463 2HD ARG 58 1HD ARG 58 -10.880 13.488 10.316 464 HE ARG 58 HE ARG 58 -11.010 14.275 12.451 465 1HH1 ARG 58 1HH1 ARG 58 -10.040 10.925 12.579 466 2HH1 ARG 58 2HH1 ARG 58 -9.785 10.936 14.290 467 1HH2 ARG 58 1HH2 ARG 58 -10.670 14.291 14.703 468 2HH2 ARG 58 2HH2 ARG 58 -10.140 12.847 15.497 469 H GLN 59 H GLN 59 -14.650 10.852 10.314 470 HA GLN 59 HA GLN 59 -16.500 9.633 8.378 471 1HB GLN 59 2HB GLN 59 -16.390 9.623 11.276 472 2HB GLN 59 1HB GLN 59 -17.940 10.231 10.704 473 1HG GLN 59 2HG GLN 59 -18.610 8.223 9.999 474 2HG GLN 59 1HG GLN 59 -17.030 7.827 9.319 475 1HE2 GLN 59 1HE2 GLN 59 -15.390 7.037 10.756 476 2HE2 GLN 59 2HE2 GLN 59 -15.840 6.189 12.193 477 H ALA 60 H ALA 60 -15.710 12.538 10.163 478 HA ALA 60 HA ALA 60 -17.970 13.955 8.933 479 1HB ALA 60 1HB ALA 60 -17.700 14.222 11.345 480 2HB ALA 60 2HB ALA 60 -17.470 15.757 10.507 481 3HB ALA 60 3HB ALA 60 -16.070 14.854 11.104 482 H ALA 61 H ALA 61 -14.630 14.916 9.726 483 HA ALA 61 HA ALA 61 -14.330 15.901 6.969 484 1HB ALA 61 1HB ALA 61 -14.730 17.595 9.022 485 2HB ALA 61 2HB ALA 61 -13.770 17.995 7.595 486 3HB ALA 61 3HB ALA 61 -12.970 17.456 9.071 Start of MODEL 11 1 1H MET 1 1HT MET 1 -6.036 8.138 0.749 2 2H MET 1 2HT MET 1 -4.662 8.590 1.672 3 3H MET 1 3HT MET 1 -5.483 7.122 2.014 4 HA MET 1 HA MET 1 -3.786 7.814 -0.269 5 1HB MET 1 2HB MET 1 -3.330 6.566 2.137 6 2HB MET 1 1HB MET 1 -3.636 5.202 1.070 7 1HG MET 1 2HG MET 1 -1.882 5.952 -0.430 8 2HG MET 1 1HG MET 1 -1.596 7.361 0.591 9 1HE MET 1 1HE MET 1 -0.857 7.477 2.675 10 2HE MET 1 2HE MET 1 0.695 6.683 2.949 11 3HE MET 1 3HE MET 1 -0.738 6.144 3.824 12 H TYR 2 H TYR 2 -4.381 7.142 -2.217 13 HA TYR 2 HA TYR 2 -6.692 5.443 -2.535 14 1HB TYR 2 2HB TYR 2 -5.098 7.233 -4.243 15 2HB TYR 2 1HB TYR 2 -5.718 5.805 -5.066 16 HD1 TYR 2 1HD TYR 2 -7.668 6.189 -6.222 17 HD2 TYR 2 2HD TYR 2 -7.046 8.235 -2.543 18 HE1 TYR 2 1HE TYR 2 -9.860 7.278 -6.463 19 HE2 TYR 2 2HE TYR 2 -9.237 9.328 -2.773 20 HH TYR 2 HH TYR 2 -11.410 8.850 -3.963 21 H LYS 3 H LYS 3 -6.723 3.506 -3.791 22 HA LYS 3 HA LYS 3 -4.598 1.727 -3.144 23 1HB LYS 3 2HB LYS 3 -6.912 0.961 -3.238 24 2HB LYS 3 1HB LYS 3 -6.997 1.362 -4.947 25 1HG LYS 3 2HG LYS 3 -4.825 -0.331 -4.793 26 2HG LYS 3 1HG LYS 3 -5.973 -1.015 -3.641 27 1HD LYS 3 2HD LYS 3 -7.669 -0.582 -5.625 28 2HD LYS 3 1HD LYS 3 -6.196 -0.691 -6.589 29 1HE LYS 3 2HE LYS 3 -5.731 -2.885 -5.736 30 2HE LYS 3 1HE LYS 3 -7.060 -2.768 -4.583 31 1HZ LYS 3 1HZ LYS 3 -7.109 -3.587 -7.307 32 2HZ LYS 3 2HZ LYS 3 -8.195 -2.317 -7.046 33 3HZ LYS 3 3HZ LYS 3 -8.310 -3.730 -6.123 34 H LYS 4 H LYS 4 -5.484 3.555 -5.984 35 HA LYS 4 HA LYS 4 -3.929 2.163 -7.878 36 1HB LYS 4 2HB LYS 4 -5.739 3.878 -8.337 37 2HB LYS 4 1HB LYS 4 -4.554 5.114 -7.940 38 1HG LYS 4 2HG LYS 4 -3.102 4.216 -9.750 39 2HG LYS 4 1HG LYS 4 -4.418 3.128 -10.197 40 1HD LYS 4 2HD LYS 4 -4.984 4.812 -11.589 41 2HD LYS 4 1HD LYS 4 -5.733 5.486 -10.141 42 1HE LYS 4 2HE LYS 4 -2.881 6.101 -10.436 43 2HE LYS 4 1HE LYS 4 -3.906 6.771 -11.704 44 1HZ LYS 4 1HZ LYS 4 -3.479 7.973 -9.375 45 2HZ LYS 4 2HZ LYS 4 -4.874 7.098 -8.985 46 3HZ LYS 4 3HZ LYS 4 -4.893 8.185 -10.281 47 H ASP 5 H ASP 5 -3.171 4.775 -5.645 48 HA ASP 5 HA ASP 5 -0.607 5.362 -6.713 49 1HB ASP 5 2HB ASP 5 -2.220 6.596 -4.921 50 2HB ASP 5 1HB ASP 5 -1.057 5.849 -3.829 51 H VAL 6 H VAL 6 -1.643 3.443 -3.896 52 HA VAL 6 HA VAL 6 0.845 2.642 -3.000 53 HB VAL 6 HB VAL 6 -1.530 0.806 -2.919 54 1HG1 VAL 6 1HG1 VAL 6 -0.546 -0.099 -1.088 55 2HG1 VAL 6 2HG1 VAL 6 0.200 1.423 -0.605 56 3HG1 VAL 6 3HG1 VAL 6 0.895 0.479 -1.920 57 1HG2 VAL 6 1HG2 VAL 6 -1.383 3.535 -1.903 58 2HG2 VAL 6 2HG2 VAL 6 -1.742 2.350 -0.647 59 3HG2 VAL 6 3HG2 VAL 6 -2.773 2.464 -2.072 60 H ILE 7 H ILE 7 -1.325 0.993 -5.291 61 HA ILE 7 HA ILE 7 0.330 -1.221 -5.782 62 HB ILE 7 HB ILE 7 -1.786 0.064 -7.511 63 1HG1 ILE 7 2HG1 ILE 7 -1.791 -2.376 -5.721 64 2HG1 ILE 7 1HG1 ILE 7 -2.619 -0.853 -5.413 65 1HG2 ILE 7 1HG2 ILE 7 -0.352 -2.559 -7.897 66 2HG2 ILE 7 2HG2 ILE 7 -0.294 -1.153 -8.960 67 3HG2 ILE 7 3HG2 ILE 7 -1.796 -2.060 -8.778 68 1HD1 ILE 7 1HD1 ILE 7 -4.397 -1.564 -6.511 69 2HD1 ILE 7 2HD1 ILE 7 -3.606 -3.127 -6.725 70 3HD1 ILE 7 3HD1 ILE 7 -3.430 -1.872 -7.954 71 H ASP 8 H ASP 8 0.359 2.022 -7.057 72 HA ASP 8 HA ASP 8 2.064 1.433 -9.284 73 1HB ASP 8 2HB ASP 8 0.519 3.632 -8.431 74 2HB ASP 8 1HB ASP 8 2.186 4.198 -8.470 75 H HIS 9 H HIS 9 2.491 2.170 -5.933 76 HA HIS 9 HA HIS 9 5.270 2.894 -6.228 77 1HB HIS 9 2HB HIS 9 4.117 4.027 -4.475 78 2HB HIS 9 1HB HIS 9 3.469 2.523 -3.837 79 HD1 HIS 9 1HD HIS 9 6.262 4.843 -3.485 80 HD2 HIS 9 2HD HIS 9 5.495 0.868 -2.550 81 HE1 HIS 9 1HE HIS 9 8.028 4.192 -1.818 82 HE2 HIS 9 2HE HIS 9 7.599 1.756 -1.337 83 H PHE 10 H PHE 10 3.352 0.114 -5.329 84 HA PHE 10 HA PHE 10 5.685 -1.432 -4.552 85 1HB PHE 10 2HB PHE 10 2.729 -1.870 -4.497 86 2HB PHE 10 1HB PHE 10 3.805 -3.262 -4.420 87 HD1 PHE 10 1HD PHE 10 2.532 -0.350 -2.666 88 HD2 PHE 10 2HD PHE 10 5.321 -3.552 -2.538 89 HE1 PHE 10 1HE PHE 10 2.838 0.025 -0.253 90 HE2 PHE 10 2HE PHE 10 5.637 -3.191 -0.122 91 HZ PHE 10 HZ PHE 10 4.392 -1.400 1.023 92 H GLY 11 H GLY 11 3.272 -1.364 -7.145 93 1HA GLY 11 2HA GLY 11 3.762 -1.923 -9.396 94 2HA GLY 11 1HA GLY 11 5.143 -2.856 -8.837 95 H THR 12 H THR 12 3.526 -4.175 -6.745 96 HA THR 12 HA THR 12 1.600 -5.739 -8.266 97 HB THR 12 HB THR 12 2.824 -7.823 -7.165 98 HG1 THR 12 1HG THR 12 4.464 -6.348 -6.288 99 1HG2 THR 12 1HG2 THR 12 3.019 -8.362 -9.295 100 2HG2 THR 12 2HG2 THR 12 4.454 -7.344 -9.408 101 3HG2 THR 12 3HG2 THR 12 2.865 -6.669 -9.763 102 H GLN 13 H GLN 13 -0.046 -6.485 -7.028 103 HA GLN 13 HA GLN 13 -0.590 -5.416 -4.551 104 1HB GLN 13 2HB GLN 13 -2.295 -7.240 -4.330 105 2HB GLN 13 1HB GLN 13 -2.363 -6.354 -5.847 106 1HG GLN 13 2HG GLN 13 -1.012 -8.210 -6.867 107 2HG GLN 13 1HG GLN 13 -1.261 -9.108 -5.370 108 1HE2 GLN 13 1HE2 GLN 13 -3.326 -7.094 -7.441 109 2HE2 GLN 13 2HE2 GLN 13 -4.582 -8.266 -7.621 110 H ARG 14 H ARG 14 0.681 -8.667 -5.242 111 HA ARG 14 HA ARG 14 0.814 -9.748 -2.744 112 1HB ARG 14 2HB ARG 14 1.685 -10.562 -5.123 113 2HB ARG 14 1HB ARG 14 3.232 -10.070 -4.449 114 1HG ARG 14 2HG ARG 14 2.132 -11.546 -2.414 115 2HG ARG 14 1HG ARG 14 1.588 -12.398 -3.859 116 1HD ARG 14 2HD ARG 14 3.654 -13.371 -3.267 117 2HD ARG 14 1HD ARG 14 3.987 -12.332 -4.649 118 HE ARG 14 HE ARG 14 4.769 -11.842 -1.868 119 1HH1 ARG 14 1HH1 ARG 14 4.868 -10.871 -5.228 120 2HH1 ARG 14 2HH1 ARG 14 6.174 -9.763 -4.992 121 1HH2 ARG 14 1HH2 ARG 14 6.485 -10.383 -1.568 122 2HH2 ARG 14 2HH2 ARG 14 7.091 -9.485 -2.920 123 H ALA 15 H ALA 15 3.115 -7.461 -4.166 124 HA ALA 15 HA ALA 15 5.029 -7.494 -2.132 125 1HB ALA 15 1HB ALA 15 4.286 -5.080 -3.771 126 2HB ALA 15 2HB ALA 15 5.254 -6.420 -4.387 127 3HB ALA 15 3HB ALA 15 5.848 -5.452 -3.038 128 H VAL 16 H VAL 16 2.214 -5.358 -2.550 129 HA VAL 16 HA VAL 16 2.581 -3.796 -0.275 130 HB VAL 16 HB VAL 16 -0.215 -4.457 -1.033 131 1HG1 VAL 16 1HG1 VAL 16 0.606 -2.659 0.579 132 2HG1 VAL 16 2HG1 VAL 16 -0.585 -2.185 -0.634 133 3HG1 VAL 16 3HG1 VAL 16 1.117 -1.782 -0.862 134 1HG2 VAL 16 1HG2 VAL 16 0.095 -2.808 -3.000 135 2HG2 VAL 16 2HG2 VAL 16 0.550 -4.496 -3.232 136 3HG2 VAL 16 3HG2 VAL 16 1.791 -3.283 -2.927 137 H ALA 17 H ALA 17 0.637 -6.747 -0.698 138 HA ALA 17 HA ALA 17 -0.332 -6.910 1.923 139 1HB ALA 17 1HB ALA 17 -1.485 -8.398 0.694 140 2HB ALA 17 2HB ALA 17 -0.214 -9.516 1.189 141 3HB ALA 17 3HB ALA 17 -0.124 -8.720 -0.382 142 H LYS 18 H LYS 18 2.729 -7.852 0.529 143 HA LYS 18 HA LYS 18 3.577 -9.450 2.746 144 1HB LYS 18 2HB LYS 18 4.805 -8.419 0.245 145 2HB LYS 18 1HB LYS 18 5.898 -8.850 1.552 146 1HG LYS 18 2HG LYS 18 3.852 -10.863 1.030 147 2HG LYS 18 1HG LYS 18 4.925 -10.563 -0.338 148 1HD LYS 18 2HD LYS 18 6.847 -10.811 1.304 149 2HD LYS 18 1HD LYS 18 5.657 -11.437 2.448 150 1HE LYS 18 2HE LYS 18 5.454 -13.403 1.359 151 2HE LYS 18 1HE LYS 18 5.594 -12.653 -0.231 152 1HZ LYS 18 1HZ LYS 18 7.657 -13.765 1.481 153 2HZ LYS 18 2HZ LYS 18 8.069 -12.333 0.683 154 3HZ LYS 18 3HZ LYS 18 7.577 -13.684 -0.208 155 H ALA 19 H ALA 19 3.903 -6.084 1.807 156 HA ALA 19 HA ALA 19 5.843 -5.415 3.790 157 1HB ALA 19 1HB ALA 19 5.653 -4.062 1.807 158 2HB ALA 19 2HB ALA 19 5.268 -3.074 3.218 159 3HB ALA 19 3HB ALA 19 3.973 -3.679 2.184 160 H LEU 20 H LEU 20 2.317 -5.176 3.592 161 HA LEU 20 HA LEU 20 2.118 -3.975 6.211 162 1HB LEU 20 2HB LEU 20 -0.024 -5.052 4.377 163 2HB LEU 20 1HB LEU 20 -0.312 -4.140 5.847 164 HG LEU 20 HG LEU 20 1.218 -3.028 3.500 165 1HD1 LEU 20 1HD1 LEU 20 -0.672 -2.331 2.495 166 2HD1 LEU 20 2HD1 LEU 20 -1.526 -2.097 4.020 167 3HD1 LEU 20 3HD1 LEU 20 -1.382 -3.713 3.329 168 1HD2 LEU 20 1HD2 LEU 20 1.243 -1.038 4.607 169 2HD2 LEU 20 2HD2 LEU 20 1.271 -2.128 5.991 170 3HD2 LEU 20 3HD2 LEU 20 -0.245 -1.380 5.489 171 H GLY 21 H GLY 21 1.846 -7.155 4.791 172 1HA GLY 21 2HA GLY 21 2.296 -9.081 6.175 173 2HA GLY 21 1HA GLY 21 1.508 -8.251 7.506 174 H ILE 22 H ILE 22 -0.466 -7.521 5.078 175 HA ILE 22 HA ILE 22 -2.372 -9.551 5.811 176 HB ILE 22 HB ILE 22 -3.909 -8.353 4.289 177 1HG1 ILE 22 2HG1 ILE 22 -1.619 -6.424 3.867 178 2HG1 ILE 22 1HG1 ILE 22 -2.108 -7.635 2.685 179 1HG2 ILE 22 1HG2 ILE 22 -2.400 -6.622 6.241 180 2HG2 ILE 22 2HG2 ILE 22 -3.773 -7.667 6.600 181 3HG2 ILE 22 3HG2 ILE 22 -3.989 -6.248 5.576 182 1HD1 ILE 22 1HD1 ILE 22 -4.127 -6.564 2.252 183 2HD1 ILE 22 2HD1 ILE 22 -2.965 -5.246 2.402 184 3HD1 ILE 22 3HD1 ILE 22 -4.051 -5.618 3.739 185 H SER 23 H SER 23 -3.804 -10.269 3.762 186 HA SER 23 HA SER 23 -2.022 -11.949 2.212 187 1HB SER 23 2HB SER 23 -5.011 -11.894 1.894 188 2HB SER 23 1HB SER 23 -3.900 -13.249 1.694 189 HG SER 23 HG SER 23 -4.777 -12.038 4.094 190 H ASP 24 H ASP 24 -2.096 -12.114 -0.088 191 HA ASP 24 HA ASP 24 -1.961 -9.660 -1.428 192 1HB ASP 24 2HB ASP 24 -1.967 -11.110 -3.519 193 2HB ASP 24 1HB ASP 24 -0.718 -11.469 -2.329 194 H ALA 25 H ALA 25 -4.593 -11.912 -0.985 195 HA ALA 25 HA ALA 25 -6.302 -10.929 -3.009 196 1HB ALA 25 1HB ALA 25 -7.815 -12.426 -2.235 197 2HB ALA 25 2HB ALA 25 -7.524 -12.017 -0.544 198 3HB ALA 25 3HB ALA 25 -6.398 -13.067 -1.404 199 H ALA 26 H ALA 26 -5.853 -10.057 0.385 200 HA ALA 26 HA ALA 26 -8.033 -8.331 0.670 201 1HB ALA 26 1HB ALA 26 -7.106 -8.710 2.702 202 2HB ALA 26 2HB ALA 26 -6.281 -7.193 2.340 203 3HB ALA 26 3HB ALA 26 -5.459 -8.731 2.070 204 H VAL 27 H VAL 27 -4.899 -7.859 -0.799 205 HA VAL 27 HA VAL 27 -4.991 -5.024 -0.940 206 HB VAL 27 HB VAL 27 -3.473 -6.935 -2.724 207 1HG1 VAL 27 1HG1 VAL 27 -1.979 -5.038 -3.113 208 2HG1 VAL 27 2HG1 VAL 27 -3.019 -4.013 -2.123 209 3HG1 VAL 27 3HG1 VAL 27 -3.623 -4.679 -3.640 210 1HG2 VAL 27 1HG2 VAL 27 -2.763 -7.442 -0.551 211 2HG2 VAL 27 2HG2 VAL 27 -2.842 -5.757 -0.035 212 3HG2 VAL 27 3HG2 VAL 27 -1.571 -6.283 -1.138 213 H SER 28 H SER 28 -5.904 -7.609 -3.186 214 HA SER 28 HA SER 28 -6.630 -5.856 -5.307 215 1HB SER 28 2HB SER 28 -8.012 -8.084 -5.913 216 2HB SER 28 1HB SER 28 -6.275 -7.938 -6.182 217 HG SER 28 HG SER 28 -6.678 -9.840 -5.072 218 H GLN 29 H GLN 29 -8.283 -7.116 -2.514 219 HA GLN 29 HA GLN 29 -10.920 -6.506 -3.419 220 1HB GLN 29 2HB GLN 29 -10.280 -8.199 -1.631 221 2HB GLN 29 1HB GLN 29 -10.050 -6.828 -0.552 222 1HG GLN 29 2HG GLN 29 -12.340 -6.235 -0.687 223 2HG GLN 29 1HG GLN 29 -12.620 -7.376 -2.001 224 1HE2 GLN 29 1HE2 GLN 29 -12.200 -9.683 -1.460 225 2HE2 GLN 29 2HE2 GLN 29 -12.660 -10.234 0.110 226 H TRP 30 H TRP 30 -8.367 -4.611 -2.230 227 HA TRP 30 HA TRP 30 -9.587 -2.657 -0.708 228 1HB TRP 30 2HB TRP 30 -7.262 -2.621 -2.600 229 2HB TRP 30 1HB TRP 30 -7.820 -1.116 -1.877 230 HD1 TRP 30 HD TRP 30 -8.505 -3.132 0.882 231 HE1 TRP 30 1HE TRP 30 -6.518 -3.405 2.493 232 HE3 TRP 30 3HE TRP 30 -4.726 -1.657 -2.231 233 HZ2 TRP 30 2HZ TRP 30 -3.717 -3.045 2.451 234 HZ3 TRP 30 3HZ TRP 30 -2.422 -1.648 -1.368 235 HH2 TRP 30 HH TRP 30 -1.931 -2.328 0.927 236 H LYS 31 H LYS 31 -9.950 -0.332 -1.438 237 HA LYS 31 HA LYS 31 -11.390 -0.273 -4.003 238 1HB LYS 31 2HB LYS 31 -13.170 1.014 -3.007 239 2HB LYS 31 1HB LYS 31 -12.950 -0.457 -2.072 240 1HG LYS 31 2HG LYS 31 -11.300 1.521 -0.913 241 2HG LYS 31 1HG LYS 31 -12.880 2.247 -1.195 242 1HD LYS 31 2HD LYS 31 -13.340 1.310 0.815 243 2HD LYS 31 1HD LYS 31 -13.650 -0.116 -0.178 244 1HE LYS 31 2HE LYS 31 -10.840 0.234 0.585 245 2HE LYS 31 1HE LYS 31 -11.930 -0.011 1.948 246 1HZ LYS 31 1HZ LYS 31 -11.150 -2.122 1.204 247 2HZ LYS 31 2HZ LYS 31 -11.580 -1.795 -0.398 248 3HZ LYS 31 3HZ LYS 31 -12.790 -2.000 0.774 249 H GLU 32 H GLU 32 -12.170 2.411 -3.895 250 HA GLU 32 HA GLU 32 -10.040 3.749 -4.987 251 1HB GLU 32 2HB GLU 32 -12.650 4.538 -3.855 252 2HB GLU 32 1HB GLU 32 -11.450 5.825 -3.936 253 1HG GLU 32 2HG GLU 32 -11.200 5.522 -6.303 254 2HG GLU 32 1HG GLU 32 -12.250 4.106 -6.270 255 H VAL 33 H VAL 33 -10.810 3.313 -1.621 256 HA VAL 33 HA VAL 33 -8.316 4.699 -0.922 257 HB VAL 33 HB VAL 33 -10.840 4.941 0.710 258 1HG1 VAL 33 1HG1 VAL 33 -9.650 6.075 2.252 259 2HG1 VAL 33 2HG1 VAL 33 -8.598 6.818 1.046 260 3HG1 VAL 33 3HG1 VAL 33 -8.303 5.160 1.573 261 1HG2 VAL 33 1HG2 VAL 33 -9.782 6.581 -1.508 262 2HG2 VAL 33 2HG2 VAL 33 -10.380 7.452 -0.096 263 3HG2 VAL 33 3HG2 VAL 33 -11.440 6.343 -0.965 264 H ILE 34 H ILE 34 -7.007 3.322 0.067 265 HA ILE 34 HA ILE 34 -7.769 0.762 0.931 266 HB ILE 34 HB ILE 34 -5.530 0.648 1.996 267 1HG1 ILE 34 2HG1 ILE 34 -5.283 3.509 1.037 268 2HG1 ILE 34 1HG1 ILE 34 -5.395 3.004 2.721 269 1HG2 ILE 34 1HG2 ILE 34 -5.533 1.804 -0.789 270 2HG2 ILE 34 2HG2 ILE 34 -5.852 0.120 -0.374 271 3HG2 ILE 34 3HG2 ILE 34 -4.260 0.816 -0.070 272 1HD1 ILE 34 1HD1 ILE 34 -3.192 2.182 0.849 273 2HD1 ILE 34 2HD1 ILE 34 -3.283 1.890 2.586 274 3HD1 ILE 34 3HD1 ILE 34 -3.099 3.535 1.976 275 HA PRO 35 HA PRO 35 -9.338 0.990 5.025 276 1HB PRO 35 2HB PRO 35 -7.023 -0.677 5.896 277 2HB PRO 35 1HB PRO 35 -8.751 -0.921 6.171 278 1HG PRO 35 2HG PRO 35 -7.459 -2.367 4.351 279 2HG PRO 35 1HG PRO 35 -9.104 -1.778 4.043 280 1HD PRO 35 2HD PRO 35 -6.502 -0.790 2.967 281 2HD PRO 35 1HD PRO 35 -8.092 -0.872 2.182 282 H GLU 36 H GLU 36 -8.980 1.898 7.098 283 HA GLU 36 HA GLU 36 -7.279 4.113 7.165 284 1HB GLU 36 2HB GLU 36 -9.415 3.413 8.588 285 2HB GLU 36 1HB GLU 36 -8.183 2.894 9.728 286 1HG GLU 36 2HG GLU 36 -7.793 5.582 8.626 287 2HG GLU 36 1HG GLU 36 -9.232 5.381 9.623 288 H LYS 37 H LYS 37 -6.980 0.985 8.836 289 HA LYS 37 HA LYS 37 -4.435 1.641 9.964 290 1HB LYS 37 2HB LYS 37 -5.801 -1.041 9.695 291 2HB LYS 37 1HB LYS 37 -4.397 -0.704 10.698 292 1HG LYS 37 2HG LYS 37 -6.425 1.161 11.377 293 2HG LYS 37 1HG LYS 37 -7.143 -0.452 11.349 294 1HD LYS 37 2HD LYS 37 -6.339 -0.607 13.442 295 2HD LYS 37 1HD LYS 37 -4.797 -0.926 12.645 296 1HE LYS 37 2HE LYS 37 -5.802 1.749 13.613 297 2HE LYS 37 1HE LYS 37 -4.529 0.779 14.353 298 1HZ LYS 37 1HZ LYS 37 -3.258 2.160 13.115 299 2HZ LYS 37 2HZ LYS 37 -4.449 2.423 11.945 300 3HZ LYS 37 3HZ LYS 37 -3.545 0.993 11.923 301 H ASP 38 H ASP 38 -5.417 0.526 6.895 302 HA ASP 38 HA ASP 38 -3.002 -0.925 6.301 303 1HB ASP 38 2HB ASP 38 -5.457 -0.150 4.792 304 2HB ASP 38 1HB ASP 38 -4.013 -0.555 3.870 305 H ALA 39 H ALA 39 -4.370 2.222 5.370 306 HA ALA 39 HA ALA 39 -2.181 3.045 3.791 307 1HB ALA 39 1HB ALA 39 -3.411 4.878 3.416 308 2HB ALA 39 2HB ALA 39 -3.628 5.199 5.137 309 3HB ALA 39 3HB ALA 39 -4.673 4.038 4.317 310 H TYR 40 H TYR 40 -2.686 2.960 7.212 311 HA TYR 40 HA TYR 40 -0.828 4.946 7.975 312 1HB TYR 40 2HB TYR 40 -2.503 4.120 9.534 313 2HB TYR 40 1HB TYR 40 -1.811 2.498 9.460 314 HD1 TYR 40 1HD TYR 40 -0.420 1.859 11.178 315 HD2 TYR 40 2HD TYR 40 -0.742 5.997 10.242 316 HE1 TYR 40 1HE TYR 40 1.056 2.397 13.071 317 HE2 TYR 40 2HE TYR 40 0.732 6.547 12.131 318 HH TYR 40 HH TYR 40 1.349 5.396 14.380 319 H ARG 41 H ARG 41 -0.445 1.432 8.416 320 HA ARG 41 HA ARG 41 2.323 1.493 8.763 321 1HB ARG 41 2HB ARG 41 0.704 -0.799 7.642 322 2HB ARG 41 1HB ARG 41 2.273 -0.908 8.431 323 1HG ARG 41 2HG ARG 41 1.397 -0.740 10.505 324 2HG ARG 41 1HG ARG 41 0.108 0.349 9.993 325 1HD ARG 41 2HD ARG 41 -0.994 -1.636 10.567 326 2HD ARG 41 1HD ARG 41 -0.897 -1.675 8.808 327 HE ARG 41 HE ARG 41 0.478 -3.503 8.953 328 1HH1 ARG 41 1HH1 ARG 41 0.227 -2.014 12.099 329 2HH1 ARG 41 2HH1 ARG 41 1.036 -3.310 12.915 330 1HH2 ARG 41 1HH2 ARG 41 1.541 -5.208 10.025 331 2HH2 ARG 41 2HH2 ARG 41 1.783 -5.123 11.738 332 H LEU 42 H LEU 42 0.400 1.481 5.863 333 HA LEU 42 HA LEU 42 2.281 0.563 4.017 334 1HB LEU 42 2HB LEU 42 -0.198 2.149 3.922 335 2HB LEU 42 1HB LEU 42 0.891 2.398 2.571 336 HG LEU 42 HG LEU 42 -0.276 -0.245 3.442 337 1HD1 LEU 42 1HD1 LEU 42 -1.173 1.832 1.635 338 2HD1 LEU 42 2HD1 LEU 42 -2.023 0.409 2.234 339 3HD1 LEU 42 3HD1 LEU 42 -0.979 0.282 0.818 340 1HD2 LEU 42 1HD2 LEU 42 0.830 -0.469 0.892 341 2HD2 LEU 42 2HD2 LEU 42 1.441 -1.180 2.383 342 3HD2 LEU 42 3HD2 LEU 42 2.041 0.388 1.844 343 H GLU 43 H GLU 43 1.857 3.728 5.473 344 HA GLU 43 HA GLU 43 3.648 5.097 3.734 345 1HB GLU 43 2HB GLU 43 1.863 6.170 5.155 346 2HB GLU 43 1HB GLU 43 2.892 5.879 6.550 347 1HG GLU 43 2HG GLU 43 4.647 7.147 4.994 348 2HG GLU 43 1HG GLU 43 3.158 7.853 4.371 349 H ILE 44 H ILE 44 4.022 3.228 6.650 350 HA ILE 44 HA ILE 44 6.699 4.130 7.191 351 HB ILE 44 HB ILE 44 5.325 1.670 8.270 352 1HG1 ILE 44 2HG1 ILE 44 5.070 4.564 8.936 353 2HG1 ILE 44 1HG1 ILE 44 3.861 3.289 8.998 354 1HG2 ILE 44 1HG2 ILE 44 7.758 1.732 8.564 355 2HG2 ILE 44 2HG2 ILE 44 6.912 1.877 10.104 356 3HG2 ILE 44 3HG2 ILE 44 7.620 3.304 9.349 357 1HD1 ILE 44 1HD1 ILE 44 4.375 4.117 11.214 358 2HD1 ILE 44 2HD1 ILE 44 6.078 3.727 10.980 359 3HD1 ILE 44 3HD1 ILE 44 4.879 2.436 11.048 360 H VAL 45 H VAL 45 5.237 1.195 5.824 361 HA VAL 45 HA VAL 45 7.560 -0.298 5.452 362 HB VAL 45 HB VAL 45 6.310 -1.408 3.572 363 1HG1 VAL 45 1HG1 VAL 45 6.110 -2.383 5.708 364 2HG1 VAL 45 2HG1 VAL 45 4.462 -2.244 5.098 365 3HG1 VAL 45 3HG1 VAL 45 5.062 -1.088 6.288 366 1HG2 VAL 45 1HG2 VAL 45 5.022 0.487 2.793 367 2HG2 VAL 45 2HG2 VAL 45 4.186 0.586 4.341 368 3HG2 VAL 45 3HG2 VAL 45 3.937 -0.810 3.293 369 H THR 46 H THR 46 6.053 2.116 3.362 370 HA THR 46 HA THR 46 8.011 1.780 1.281 371 HB THR 46 HB THR 46 6.791 3.680 0.235 372 HG1 THR 46 1HG THR 46 5.830 4.896 1.654 373 1HG2 THR 46 1HG2 THR 46 6.024 1.229 0.103 374 2HG2 THR 46 2HG2 THR 46 4.904 2.501 -0.387 375 3HG2 THR 46 3HG2 THR 46 4.738 1.741 1.195 376 H ALA 47 H ALA 47 9.061 2.582 3.888 377 HA ALA 47 HA ALA 47 10.435 4.119 4.872 378 1HB ALA 47 1HB ALA 47 11.173 4.036 1.999 379 2HB ALA 47 2HB ALA 47 12.105 3.575 3.425 380 3HB ALA 47 3HB ALA 47 11.918 5.279 3.006 381 H GLY 48 H GLY 48 7.818 5.129 4.449 382 1HA GLY 48 2HA GLY 48 6.712 7.133 4.658 383 2HA GLY 48 1HA GLY 48 8.284 7.893 4.845 384 H ALA 49 H ALA 49 7.663 6.035 1.990 385 HA ALA 49 HA ALA 49 8.270 8.142 0.248 386 1HB ALA 49 1HB ALA 49 6.756 5.604 -0.356 387 2HB ALA 49 2HB ALA 49 8.510 5.784 -0.362 388 3HB ALA 49 3HB ALA 49 7.529 6.658 -1.539 389 H LEU 50 H LEU 50 5.224 6.990 1.539 390 HA LEU 50 HA LEU 50 3.786 9.015 -0.032 391 1HB LEU 50 2HB LEU 50 3.050 6.379 1.105 392 2HB LEU 50 1HB LEU 50 1.805 7.613 1.123 393 HG LEU 50 HG LEU 50 3.207 7.248 -1.453 394 1HD1 LEU 50 1HD1 LEU 50 1.789 5.056 -0.074 395 2HD1 LEU 50 2HD1 LEU 50 3.034 4.999 -1.322 396 3HD1 LEU 50 3HD1 LEU 50 1.359 5.333 -1.762 397 1HD2 LEU 50 1HD2 LEU 50 1.290 8.080 -2.306 398 2HD2 LEU 50 2HD2 LEU 50 1.057 8.652 -0.655 399 3HD2 LEU 50 3HD2 LEU 50 0.270 7.169 -1.193 400 H LYS 51 H LYS 51 1.637 9.598 1.378 401 HA LYS 51 HA LYS 51 2.492 10.328 4.086 402 1HB LYS 51 2HB LYS 51 1.549 12.620 3.730 403 2HB LYS 51 1HB LYS 51 3.013 12.288 2.815 404 1HG LYS 51 2HG LYS 51 1.990 12.574 0.855 405 2HG LYS 51 1HG LYS 51 0.572 11.649 1.355 406 1HD LYS 51 2HD LYS 51 -0.272 13.795 1.026 407 2HD LYS 51 1HD LYS 51 -0.010 13.724 2.770 408 1HE LYS 51 2HE LYS 51 2.405 14.630 1.852 409 2HE LYS 51 1HE LYS 51 1.271 15.394 0.739 410 1HZ LYS 51 1HZ LYS 51 0.047 15.889 3.019 411 2HZ LYS 51 2HZ LYS 51 1.230 16.921 2.386 412 3HZ LYS 51 3HZ LYS 51 1.635 15.815 3.600 413 H TYR 52 H TYR 52 1.009 9.643 5.467 414 HA TYR 52 HA TYR 52 -1.514 8.667 4.732 415 1HB TYR 52 2HB TYR 52 -0.171 8.132 6.833 416 2HB TYR 52 1HB TYR 52 -0.799 9.636 7.498 417 HD1 TYR 52 1HD TYR 52 -3.183 9.865 8.022 418 HD2 TYR 52 2HD TYR 52 -1.582 6.196 6.581 419 HE1 TYR 52 1HE TYR 52 -5.217 8.696 8.756 420 HE2 TYR 52 2HE TYR 52 -3.614 5.017 7.309 421 HH TYR 52 HH TYR 52 -5.434 5.276 8.860 422 H GLN 53 H GLN 53 -3.588 9.491 4.949 423 HA GLN 53 HA GLN 53 -3.808 12.362 5.539 424 1HB GLN 53 2HB GLN 53 -5.259 10.983 3.276 425 2HB GLN 53 1HB GLN 53 -5.278 12.700 3.657 426 1HG GLN 53 2HG GLN 53 -3.030 12.971 2.975 427 2HG GLN 53 1HG GLN 53 -2.775 11.228 2.890 428 1HE2 GLN 53 1HE2 GLN 53 -2.057 11.486 0.739 429 2HE2 GLN 53 2HE2 GLN 53 -3.177 11.716 -0.555 430 H GLU 54 H GLU 54 -4.667 11.886 7.572 431 HA GLU 54 HA GLU 54 -6.737 10.091 8.110 432 1HB GLU 54 2HB GLU 54 -7.105 11.430 10.163 433 2HB GLU 54 1HB GLU 54 -5.412 11.037 9.894 434 1HG GLU 54 2HG GLU 54 -4.999 13.268 9.047 435 2HG GLU 54 1HG GLU 54 -6.707 13.670 9.226 436 H ASN 55 H ASN 55 -6.813 13.140 6.531 437 HA ASN 55 HA ASN 55 -9.325 14.121 7.105 438 1HB ASN 55 2HB ASN 55 -7.329 14.717 5.281 439 2HB ASN 55 1HB ASN 55 -8.700 14.305 4.258 440 1HD2 ASN 55 1HD2 ASN 55 -8.848 16.450 3.559 441 2HD2 ASN 55 2HD2 ASN 55 -9.518 17.686 4.562 442 H ALA 56 H ALA 56 -8.464 11.742 4.599 443 HA ALA 56 HA ALA 56 -11.250 11.292 3.976 444 1HB ALA 56 1HB ALA 56 -10.100 9.451 2.491 445 2HB ALA 56 2HB ALA 56 -8.663 10.406 2.823 446 3HB ALA 56 3HB ALA 56 -10.050 11.155 2.037 447 H TYR 57 H TYR 57 -9.515 10.364 6.513 448 HA TYR 57 HA TYR 57 -10.650 7.649 6.581 449 1HB TYR 57 2HB TYR 57 -8.220 8.739 8.003 450 2HB TYR 57 1HB TYR 57 -8.890 7.131 8.255 451 HD1 TYR 57 1HD TYR 57 -9.369 5.943 5.795 452 HD2 TYR 57 2HD TYR 57 -6.311 8.750 6.725 453 HE1 TYR 57 1HE TYR 57 -8.024 5.089 3.923 454 HE2 TYR 57 2HE TYR 57 -4.956 7.903 4.856 455 HH TYR 57 HH TYR 57 -5.852 5.041 3.080 456 H ARG 58 H ARG 58 -10.700 10.759 7.998 457 HA ARG 58 HA ARG 58 -11.660 9.929 10.580 458 1HB ARG 58 2HB ARG 58 -12.160 12.404 10.829 459 2HB ARG 58 1HB ARG 58 -10.470 11.978 10.562 460 1HG ARG 58 2HG ARG 58 -10.370 13.131 8.661 461 2HG ARG 58 1HG ARG 58 -11.910 12.482 8.084 462 1HD ARG 58 2HD ARG 58 -13.070 14.085 9.588 463 2HD ARG 58 1HD ARG 58 -11.510 14.788 9.986 464 HE ARG 58 HE ARG 58 -11.590 14.905 7.278 465 1HH1 ARG 58 1HH1 ARG 58 -13.740 15.989 9.802 466 2HH1 ARG 58 2HH1 ARG 58 -14.350 17.325 8.883 467 1HH2 ARG 58 1HH2 ARG 58 -12.390 16.661 6.068 468 2HH2 ARG 58 2HH2 ARG 58 -13.580 17.707 6.762 469 H GLN 59 H GLN 59 -13.600 9.042 10.775 470 HA GLN 59 HA GLN 59 -15.900 10.431 9.627 471 1HB GLN 59 2HB GLN 59 -15.020 8.447 8.153 472 2HB GLN 59 1HB GLN 59 -15.810 7.449 9.370 473 1HG GLN 59 2HG GLN 59 -17.720 9.331 8.763 474 2HG GLN 59 1HG GLN 59 -16.960 9.000 7.209 475 1HE2 GLN 59 1HE2 GLN 59 -16.440 6.466 7.104 476 2HE2 GLN 59 2HE2 GLN 59 -17.830 5.479 7.367 477 H ALA 60 H ALA 60 -17.540 10.552 11.023 478 HA ALA 60 HA ALA 60 -17.710 8.589 13.202 479 1HB ALA 60 1HB ALA 60 -18.340 11.369 13.949 480 2HB ALA 60 2HB ALA 60 -16.640 11.014 13.674 481 3HB ALA 60 3HB ALA 60 -17.550 10.095 14.874 482 H ALA 61 H ALA 61 -19.470 7.673 12.080 483 HA ALA 61 HA ALA 61 -21.960 9.180 12.432 484 1HB ALA 61 1HB ALA 61 -20.870 8.143 9.888 485 2HB ALA 61 2HB ALA 61 -21.930 9.520 10.194 486 3HB ALA 61 3HB ALA 61 -22.590 7.885 10.173 Start of MODEL 12 1 1H MET 1 1HT MET 1 -5.692 7.531 1.250 2 2H MET 1 2HT MET 1 -5.508 8.698 0.006 3 3H MET 1 3HT MET 1 -4.413 8.670 1.326 4 HA MET 1 HA MET 1 -3.452 7.742 -0.647 5 1HB MET 1 2HB MET 1 -3.694 6.561 1.956 6 2HB MET 1 1HB MET 1 -3.529 5.278 0.765 7 1HG MET 1 2HG MET 1 -1.469 6.197 -0.033 8 2HG MET 1 1HG MET 1 -1.666 7.629 0.976 9 1HE MET 1 1HE MET 1 -0.553 6.790 4.344 10 2HE MET 1 2HE MET 1 -1.385 7.870 3.225 11 3HE MET 1 3HE MET 1 0.342 7.565 3.036 12 H TYR 2 H TYR 2 -4.045 7.015 -2.576 13 HA TYR 2 HA TYR 2 -6.411 5.349 -2.853 14 1HB TYR 2 2HB TYR 2 -4.755 7.021 -4.665 15 2HB TYR 2 1HB TYR 2 -5.564 5.633 -5.386 16 HD1 TYR 2 1HD TYR 2 -6.639 8.038 -2.735 17 HD2 TYR 2 2HD TYR 2 -7.380 6.403 -6.592 18 HE1 TYR 2 1HE TYR 2 -8.722 9.336 -2.878 19 HE2 TYR 2 2HE TYR 2 -9.465 7.698 -6.747 20 HH TYR 2 HH TYR 2 -11.040 8.938 -4.320 21 H LYS 3 H LYS 3 -6.447 3.306 -3.787 22 HA LYS 3 HA LYS 3 -4.365 1.568 -3.139 23 1HB LYS 3 2HB LYS 3 -6.654 0.795 -3.421 24 2HB LYS 3 1HB LYS 3 -6.615 1.214 -5.128 25 1HG LYS 3 2HG LYS 3 -4.786 -0.463 -5.416 26 2HG LYS 3 1HG LYS 3 -5.058 -0.956 -3.744 27 1HD LYS 3 2HD LYS 3 -7.062 -1.944 -4.219 28 2HD LYS 3 1HD LYS 3 -7.412 -0.842 -5.551 29 1HE LYS 3 2HE LYS 3 -5.915 -1.995 -7.001 30 2HE LYS 3 1HE LYS 3 -5.272 -2.956 -5.670 31 1HZ LYS 3 1HZ LYS 3 -7.385 -4.063 -5.458 32 2HZ LYS 3 2HZ LYS 3 -6.847 -4.194 -7.055 33 3HZ LYS 3 3HZ LYS 3 -8.067 -3.090 -6.664 34 H LYS 4 H LYS 4 -5.222 3.035 -6.251 35 HA LYS 4 HA LYS 4 -3.451 1.740 -7.919 36 1HB LYS 4 2HB LYS 4 -5.203 3.421 -8.577 37 2HB LYS 4 1HB LYS 4 -4.091 4.686 -8.070 38 1HG LYS 4 2HG LYS 4 -2.491 4.003 -9.746 39 2HG LYS 4 1HG LYS 4 -3.519 2.647 -10.212 40 1HD LYS 4 2HD LYS 4 -4.982 5.139 -10.281 41 2HD LYS 4 1HD LYS 4 -3.535 5.224 -11.286 42 1HE LYS 4 2HE LYS 4 -5.363 2.859 -11.450 43 2HE LYS 4 1HE LYS 4 -5.749 4.347 -12.314 44 1HZ LYS 4 1HZ LYS 4 -3.888 4.149 -13.652 45 2HZ LYS 4 2HZ LYS 4 -4.406 2.546 -13.515 46 3HZ LYS 4 3HZ LYS 4 -3.095 3.091 -12.595 47 H ASP 5 H ASP 5 -2.840 4.516 -5.812 48 HA ASP 5 HA ASP 5 -0.225 5.065 -6.676 49 1HB ASP 5 2HB ASP 5 -1.925 6.262 -4.947 50 2HB ASP 5 1HB ASP 5 -0.826 5.493 -3.807 51 H VAL 6 H VAL 6 -1.341 3.148 -3.882 52 HA VAL 6 HA VAL 6 1.138 2.322 -2.964 53 HB VAL 6 HB VAL 6 -1.267 0.528 -2.854 54 1HG1 VAL 6 1HG1 VAL 6 0.949 -0.118 -1.891 55 2HG1 VAL 6 2HG1 VAL 6 -0.391 -0.108 -0.744 56 3HG1 VAL 6 3HG1 VAL 6 0.767 1.221 -0.761 57 1HG2 VAL 6 1HG2 VAL 6 -0.899 3.189 -1.532 58 2HG2 VAL 6 2HG2 VAL 6 -1.792 1.906 -0.715 59 3HG2 VAL 6 3HG2 VAL 6 -2.340 2.503 -2.282 60 H ILE 7 H ILE 7 -0.950 0.937 -5.452 61 HA ILE 7 HA ILE 7 0.611 -1.410 -5.847 62 HB ILE 7 HB ILE 7 -1.389 -0.090 -7.687 63 1HG1 ILE 7 2HG1 ILE 7 -2.299 -0.782 -5.487 64 2HG1 ILE 7 1HG1 ILE 7 -2.977 -1.712 -6.819 65 1HG2 ILE 7 1HG2 ILE 7 -1.517 -2.259 -8.809 66 2HG2 ILE 7 2HG2 ILE 7 -0.237 -2.876 -7.764 67 3HG2 ILE 7 3HG2 ILE 7 0.106 -1.575 -8.906 68 1HD1 ILE 7 1HD1 ILE 7 -1.764 -2.670 -4.485 69 2HD1 ILE 7 2HD1 ILE 7 -0.658 -3.041 -5.807 70 3HD1 ILE 7 3HD1 ILE 7 -2.330 -3.600 -5.873 71 H ASP 8 H ASP 8 0.566 1.792 -7.303 72 HA ASP 8 HA ASP 8 2.405 1.130 -9.398 73 1HB ASP 8 2HB ASP 8 0.709 3.293 -8.795 74 2HB ASP 8 1HB ASP 8 2.342 3.952 -8.784 75 H HIS 9 H HIS 9 2.631 2.128 -6.102 76 HA HIS 9 HA HIS 9 5.365 3.016 -6.305 77 1HB HIS 9 2HB HIS 9 4.012 4.119 -4.663 78 2HB HIS 9 1HB HIS 9 3.509 2.586 -3.961 79 HD1 HIS 9 1HD HIS 9 5.705 5.285 -3.308 80 HD2 HIS 9 2HD HIS 9 5.981 1.160 -2.892 81 HE1 HIS 9 1HE HIS 9 7.558 4.898 -1.651 82 HE2 HIS 9 2HE HIS 9 7.648 2.398 -1.352 83 H PHE 10 H PHE 10 3.645 0.091 -5.582 84 HA PHE 10 HA PHE 10 6.055 -1.199 -4.563 85 1HB PHE 10 2HB PHE 10 3.161 -2.023 -4.682 86 2HB PHE 10 1HB PHE 10 4.434 -3.174 -4.289 87 HD1 PHE 10 1HD PHE 10 4.200 -3.675 -2.049 88 HD2 PHE 10 2HD PHE 10 4.000 0.387 -3.295 89 HE1 PHE 10 1HE PHE 10 4.119 -2.958 0.303 90 HE2 PHE 10 2HE PHE 10 3.917 1.111 -0.949 91 HZ PHE 10 HZ PHE 10 3.978 -0.562 0.856 92 H GLY 11 H GLY 11 3.733 -1.464 -7.226 93 1HA GLY 11 2HA GLY 11 4.570 -1.976 -9.444 94 2HA GLY 11 1HA GLY 11 5.756 -3.033 -8.694 95 H THR 12 H THR 12 3.759 -4.162 -6.841 96 HA THR 12 HA THR 12 1.954 -5.573 -8.656 97 HB THR 12 HB THR 12 2.648 -7.749 -7.512 98 HG1 THR 12 1HG THR 12 3.977 -7.324 -5.921 99 1HG2 THR 12 1HG2 THR 12 4.271 -8.273 -9.080 100 2HG2 THR 12 2HG2 THR 12 4.908 -6.630 -9.113 101 3HG2 THR 12 3HG2 THR 12 3.349 -6.985 -9.854 102 H GLN 13 H GLN 13 0.516 -7.118 -7.328 103 HA GLN 13 HA GLN 13 -0.599 -5.558 -5.159 104 1HB GLN 13 2HB GLN 13 -1.513 -8.116 -6.485 105 2HB GLN 13 1HB GLN 13 -2.398 -7.299 -5.204 106 1HG GLN 13 2HG GLN 13 -1.898 -5.337 -7.126 107 2HG GLN 13 1HG GLN 13 -2.363 -6.777 -8.029 108 1HE2 GLN 13 1HE2 GLN 13 -4.270 -7.967 -6.837 109 2HE2 GLN 13 2HE2 GLN 13 -5.609 -6.945 -6.454 110 H ARG 14 H ARG 14 0.562 -8.898 -5.586 111 HA ARG 14 HA ARG 14 0.282 -9.785 -2.981 112 1HB ARG 14 2HB ARG 14 1.511 -10.712 -5.350 113 2HB ARG 14 1HB ARG 14 2.725 -10.827 -4.084 114 1HG ARG 14 2HG ARG 14 1.041 -12.057 -2.701 115 2HG ARG 14 1HG ARG 14 -0.002 -12.091 -4.124 116 1HD ARG 14 2HD ARG 14 2.775 -13.009 -4.519 117 2HD ARG 14 1HD ARG 14 1.753 -14.036 -3.514 118 HE ARG 14 HE ARG 14 0.414 -13.320 -5.905 119 1HH1 ARG 14 1HH1 ARG 14 2.933 -15.405 -4.685 120 2HH1 ARG 14 2HH1 ARG 14 2.725 -16.592 -5.928 121 1HH2 ARG 14 1HH2 ARG 14 0.140 -14.881 -7.542 122 2HH2 ARG 14 2HH2 ARG 14 1.140 -16.294 -7.549 123 H ALA 15 H ALA 15 2.681 -7.661 -4.343 124 HA ALA 15 HA ALA 15 4.634 -7.865 -2.320 125 1HB ALA 15 1HB ALA 15 5.401 -5.647 -3.166 126 2HB ALA 15 2HB ALA 15 3.987 -5.617 -4.220 127 3HB ALA 15 3HB ALA 15 5.211 -6.873 -4.420 128 H VAL 16 H VAL 16 1.912 -5.622 -2.751 129 HA VAL 16 HA VAL 16 2.381 -4.021 -0.516 130 HB VAL 16 HB VAL 16 -0.459 -4.554 -1.168 131 1HG1 VAL 16 1HG1 VAL 16 -0.031 -2.743 0.256 132 2HG1 VAL 16 2HG1 VAL 16 -0.371 -2.019 -1.315 133 3HG1 VAL 16 3HG1 VAL 16 1.293 -2.160 -0.750 134 1HG2 VAL 16 1HG2 VAL 16 -0.065 -2.983 -3.232 135 2HG2 VAL 16 2HG2 VAL 16 0.107 -4.730 -3.393 136 3HG2 VAL 16 3HG2 VAL 16 1.539 -3.716 -3.221 137 H ALA 17 H ALA 17 0.868 -7.155 -0.823 138 HA ALA 17 HA ALA 17 -0.307 -7.184 1.779 139 1HB ALA 17 1HB ALA 17 -1.231 -9.116 1.124 140 2HB ALA 17 2HB ALA 17 0.313 -9.790 0.603 141 3HB ALA 17 3HB ALA 17 -0.585 -8.714 -0.467 142 H LYS 18 H LYS 18 2.832 -7.936 0.496 143 HA LYS 18 HA LYS 18 3.711 -9.522 2.706 144 1HB LYS 18 2HB LYS 18 4.645 -9.109 0.184 145 2HB LYS 18 1HB LYS 18 5.755 -8.113 1.114 146 1HG LYS 18 2HG LYS 18 6.323 -10.042 2.504 147 2HG LYS 18 1HG LYS 18 5.213 -11.042 1.562 148 1HD LYS 18 2HD LYS 18 7.649 -9.616 0.495 149 2HD LYS 18 1HD LYS 18 7.525 -11.345 0.827 150 1HE LYS 18 2HE LYS 18 5.342 -10.735 -0.815 151 2HE LYS 18 1HE LYS 18 6.708 -9.858 -1.503 152 1HZ LYS 18 1HZ LYS 18 7.964 -11.971 -1.453 153 2HZ LYS 18 2HZ LYS 18 6.614 -12.024 -2.470 154 3HZ LYS 18 3HZ LYS 18 6.559 -12.771 -0.953 155 H ALA 19 H ALA 19 3.931 -6.117 1.823 156 HA ALA 19 HA ALA 19 5.733 -5.337 3.850 157 1HB ALA 19 1HB ALA 19 4.420 -3.059 3.429 158 2HB ALA 19 2HB ALA 19 3.873 -3.950 2.010 159 3HB ALA 19 3HB ALA 19 5.597 -3.699 2.284 160 H LEU 20 H LEU 20 2.177 -5.196 3.698 161 HA LEU 20 HA LEU 20 1.977 -4.304 6.427 162 1HB LEU 20 2HB LEU 20 -0.175 -5.289 4.553 163 2HB LEU 20 1HB LEU 20 -0.439 -4.465 6.079 164 HG LEU 20 HG LEU 20 1.147 -3.108 3.936 165 1HD1 LEU 20 1HD1 LEU 20 -0.620 -2.584 2.640 166 2HD1 LEU 20 2HD1 LEU 20 -1.746 -2.558 4.000 167 3HD1 LEU 20 3HD1 LEU 20 -1.271 -4.094 3.276 168 1HD2 LEU 20 1HD2 LEU 20 -0.835 -1.856 5.786 169 2HD2 LEU 20 2HD2 LEU 20 0.618 -1.168 5.064 170 3HD2 LEU 20 3HD2 LEU 20 0.754 -2.325 6.387 171 H GLY 21 H GLY 21 1.914 -7.341 4.739 172 1HA GLY 21 2HA GLY 21 2.315 -9.411 5.810 173 2HA GLY 21 1HA GLY 21 1.732 -8.716 7.316 174 H ILE 22 H ILE 22 -0.060 -8.288 4.371 175 HA ILE 22 HA ILE 22 -2.124 -10.109 5.423 176 HB ILE 22 HB ILE 22 -3.743 -8.782 4.102 177 1HG1 ILE 22 2HG1 ILE 22 -1.365 -6.974 3.613 178 2HG1 ILE 22 1HG1 ILE 22 -2.202 -7.931 2.394 179 1HG2 ILE 22 1HG2 ILE 22 -3.746 -6.816 5.563 180 2HG2 ILE 22 2HG2 ILE 22 -2.094 -7.186 6.056 181 3HG2 ILE 22 3HG2 ILE 22 -3.403 -8.296 6.458 182 1HD1 ILE 22 1HD1 ILE 22 -3.629 -5.853 4.011 183 2HD1 ILE 22 2HD1 ILE 22 -4.100 -6.576 2.472 184 3HD1 ILE 22 3HD1 ILE 22 -2.743 -5.450 2.539 185 H SER 23 H SER 23 -3.707 -10.632 3.408 186 HA SER 23 HA SER 23 -2.003 -12.104 1.549 187 1HB SER 23 2HB SER 23 -4.768 -12.415 2.584 188 2HB SER 23 1HB SER 23 -4.485 -12.952 0.928 189 HG SER 23 HG SER 23 -3.938 -14.264 3.115 190 H ASP 24 H ASP 24 -2.716 -12.256 -0.743 191 HA ASP 24 HA ASP 24 -2.770 -9.737 -1.953 192 1HB ASP 24 2HB ASP 24 -3.281 -10.994 -4.054 193 2HB ASP 24 1HB ASP 24 -1.913 -11.641 -3.155 194 H ALA 25 H ALA 25 -5.353 -11.873 -0.974 195 HA ALA 25 HA ALA 25 -7.462 -10.807 -2.464 196 1HB ALA 25 1HB ALA 25 -8.166 -12.695 -1.434 197 2HB ALA 25 2HB ALA 25 -8.742 -11.545 -0.228 198 3HB ALA 25 3HB ALA 25 -7.215 -12.391 0.019 199 H ALA 26 H ALA 26 -6.235 -9.884 0.739 200 HA ALA 26 HA ALA 26 -8.122 -7.907 1.319 201 1HB ALA 26 1HB ALA 26 -5.313 -8.402 2.219 202 2HB ALA 26 2HB ALA 26 -6.818 -8.532 3.127 203 3HB ALA 26 3HB ALA 26 -6.167 -6.944 2.724 204 H VAL 27 H VAL 27 -5.161 -7.787 -0.574 205 HA VAL 27 HA VAL 27 -5.125 -4.948 -0.863 206 HB VAL 27 HB VAL 27 -3.804 -7.021 -2.622 207 1HG1 VAL 27 1HG1 VAL 27 -3.897 -4.822 -3.653 208 2HG1 VAL 27 2HG1 VAL 27 -2.243 -5.204 -3.171 209 3HG1 VAL 27 3HG1 VAL 27 -3.211 -4.093 -2.201 210 1HG2 VAL 27 1HG2 VAL 27 -3.167 -7.310 -0.282 211 2HG2 VAL 27 2HG2 VAL 27 -2.731 -5.603 -0.184 212 3HG2 VAL 27 3HG2 VAL 27 -1.820 -6.687 -1.235 213 H SER 28 H SER 28 -6.219 -7.626 -2.921 214 HA SER 28 HA SER 28 -7.024 -5.990 -5.091 215 1HB SER 28 2HB SER 28 -6.585 -8.356 -5.431 216 2HB SER 28 1HB SER 28 -7.874 -8.789 -4.310 217 HG SER 28 HG SER 28 -8.282 -7.309 -6.695 218 H GLN 29 H GLN 29 -8.568 -6.991 -2.132 219 HA GLN 29 HA GLN 29 -11.220 -6.276 -2.938 220 1HB GLN 29 2HB GLN 29 -10.270 -7.832 -0.965 221 2HB GLN 29 1HB GLN 29 -10.520 -6.347 -0.057 222 1HG GLN 29 2HG GLN 29 -12.840 -6.310 -0.615 223 2HG GLN 29 1HG GLN 29 -12.640 -7.655 -1.738 224 1HE2 GLN 29 1HE2 GLN 29 -11.570 -7.073 1.596 225 2HE2 GLN 29 2HE2 GLN 29 -12.270 -8.515 2.250 226 H TRP 30 H TRP 30 -8.496 -4.521 -1.846 227 HA TRP 30 HA TRP 30 -9.577 -2.434 -0.395 228 1HB TRP 30 2HB TRP 30 -7.275 -2.547 -2.329 229 2HB TRP 30 1HB TRP 30 -7.702 -1.051 -1.508 230 HD1 TRP 30 HD TRP 30 -8.462 -3.207 1.137 231 HE1 TRP 30 1HE TRP 30 -6.461 -3.698 2.679 232 HE3 TRP 30 3HE TRP 30 -4.672 -1.734 -1.959 233 HZ2 TRP 30 2HZ TRP 30 -3.646 -3.489 2.592 234 HZ3 TRP 30 3HZ TRP 30 -2.354 -1.911 -1.155 235 HH2 TRP 30 HH TRP 30 -1.854 -2.771 1.075 236 H LYS 31 H LYS 31 -10.310 -0.352 -0.933 237 HA LYS 31 HA LYS 31 -11.620 -0.213 -3.565 238 1HB LYS 31 2HB LYS 31 -12.410 0.552 -0.848 239 2HB LYS 31 1HB LYS 31 -12.730 1.801 -2.043 240 1HG LYS 31 2HG LYS 31 -13.560 -0.982 -2.667 241 2HG LYS 31 1HG LYS 31 -14.490 -0.070 -1.480 242 1HD LYS 31 2HD LYS 31 -15.460 1.160 -3.069 243 2HD LYS 31 1HD LYS 31 -13.910 1.529 -3.821 244 1HE LYS 31 2HE LYS 31 -15.000 -1.201 -4.213 245 2HE LYS 31 1HE LYS 31 -15.810 0.119 -5.051 246 1HZ LYS 31 1HZ LYS 31 -14.070 0.441 -6.417 247 2HZ LYS 31 2HZ LYS 31 -13.700 -1.165 -6.034 248 3HZ LYS 31 3HZ LYS 31 -12.910 0.094 -5.233 249 H GLU 32 H GLU 32 -12.150 2.456 -3.765 250 HA GLU 32 HA GLU 32 -9.936 3.541 -4.949 251 1HB GLU 32 2HB GLU 32 -12.540 4.398 -4.371 252 2HB GLU 32 1HB GLU 32 -11.490 5.648 -3.719 253 1HG GLU 32 2HG GLU 32 -10.320 5.581 -6.001 254 2HG GLU 32 1HG GLU 32 -11.750 4.700 -6.546 255 H VAL 33 H VAL 33 -10.730 3.505 -1.561 256 HA VAL 33 HA VAL 33 -8.188 4.862 -0.989 257 HB VAL 33 HB VAL 33 -10.680 5.137 0.684 258 1HG1 VAL 33 1HG1 VAL 33 -9.343 7.001 1.719 259 2HG1 VAL 33 2HG1 VAL 33 -7.945 6.363 0.854 260 3HG1 VAL 33 3HG1 VAL 33 -8.769 5.369 2.056 261 1HG2 VAL 33 1HG2 VAL 33 -10.340 6.315 -1.732 262 2HG2 VAL 33 2HG2 VAL 33 -9.596 7.508 -0.669 263 3HG2 VAL 33 3HG2 VAL 33 -11.270 7.019 -0.405 264 H ILE 34 H ILE 34 -6.844 3.471 -0.058 265 HA ILE 34 HA ILE 34 -7.478 0.945 0.882 266 HB ILE 34 HB ILE 34 -5.279 1.110 2.171 267 1HG1 ILE 34 2HG1 ILE 34 -5.015 3.694 0.629 268 2HG1 ILE 34 1HG1 ILE 34 -5.411 3.634 2.343 269 1HG2 ILE 34 1HG2 ILE 34 -5.643 1.400 -0.769 270 2HG2 ILE 34 2HG2 ILE 34 -5.071 0.020 0.168 271 3HG2 ILE 34 3HG2 ILE 34 -4.008 1.401 -0.106 272 1HD1 ILE 34 1HD1 ILE 34 -3.266 2.293 2.617 273 2HD1 ILE 34 2HD1 ILE 34 -3.111 4.013 2.261 274 3HD1 ILE 34 3HD1 ILE 34 -2.870 2.823 0.982 275 HA PRO 35 HA PRO 35 -9.190 1.104 4.921 276 1HB PRO 35 2HB PRO 35 -6.845 -0.439 5.919 277 2HB PRO 35 1HB PRO 35 -8.570 -0.786 6.073 278 1HG PRO 35 2HG PRO 35 -7.077 -2.145 4.347 279 2HG PRO 35 1HG PRO 35 -8.725 -1.650 3.924 280 1HD PRO 35 2HD PRO 35 -6.113 -0.482 3.060 281 2HD PRO 35 1HD PRO 35 -7.615 -0.692 2.137 282 H GLU 36 H GLU 36 -8.827 1.821 7.145 283 HA GLU 36 HA GLU 36 -7.232 4.174 7.236 284 1HB GLU 36 2HB GLU 36 -9.428 3.862 8.401 285 2HB GLU 36 1HB GLU 36 -8.623 2.779 9.526 286 1HG GLU 36 2HG GLU 36 -7.725 5.610 9.111 287 2HG GLU 36 1HG GLU 36 -8.977 5.173 10.272 288 H LYS 37 H LYS 37 -6.844 0.906 8.454 289 HA LYS 37 HA LYS 37 -4.483 1.642 9.983 290 1HB LYS 37 2HB LYS 37 -6.229 -0.742 9.781 291 2HB LYS 37 1HB LYS 37 -4.542 -1.044 10.169 292 1HG LYS 37 2HG LYS 37 -4.737 0.543 12.057 293 2HG LYS 37 1HG LYS 37 -6.456 0.705 11.696 294 1HD LYS 37 2HD LYS 37 -5.917 -2.058 11.832 295 2HD LYS 37 1HD LYS 37 -5.106 -1.317 13.214 296 1HE LYS 37 2HE LYS 37 -8.012 -0.986 12.471 297 2HE LYS 37 1HE LYS 37 -7.385 -1.989 13.779 298 1HZ LYS 37 1HZ LYS 37 -7.079 -0.218 15.098 299 2HZ LYS 37 2HZ LYS 37 -8.205 0.535 14.085 300 3HZ LYS 37 3HZ LYS 37 -6.550 0.783 13.842 301 H ASP 38 H ASP 38 -5.238 0.433 6.852 302 HA ASP 38 HA ASP 38 -2.693 -0.849 6.433 303 1HB ASP 38 2HB ASP 38 -5.164 -0.426 4.875 304 2HB ASP 38 1HB ASP 38 -3.685 -0.474 3.921 305 H ALA 39 H ALA 39 -4.192 2.234 5.583 306 HA ALA 39 HA ALA 39 -2.100 3.199 3.956 307 1HB ALA 39 1HB ALA 39 -4.307 4.197 3.907 308 2HB ALA 39 2HB ALA 39 -3.104 5.414 4.330 309 3HB ALA 39 3HB ALA 39 -4.135 4.719 5.580 310 H TYR 40 H TYR 40 -2.486 2.981 7.398 311 HA TYR 40 HA TYR 40 -0.621 4.976 8.143 312 1HB TYR 40 2HB TYR 40 -2.265 4.078 9.721 313 2HB TYR 40 1HB TYR 40 -1.499 2.489 9.631 314 HD1 TYR 40 1HD TYR 40 -0.710 6.035 10.493 315 HD2 TYR 40 2HD TYR 40 0.097 1.920 11.208 316 HE1 TYR 40 1HE TYR 40 0.782 6.658 12.345 317 HE2 TYR 40 2HE TYR 40 1.592 2.529 13.066 318 HH TYR 40 HH TYR 40 2.998 5.126 13.516 319 H ARG 41 H ARG 41 -0.198 1.455 8.509 320 HA ARG 41 HA ARG 41 2.558 1.497 8.816 321 1HB ARG 41 2HB ARG 41 0.910 -0.711 7.572 322 2HB ARG 41 1HB ARG 41 2.513 -0.883 8.273 323 1HG ARG 41 2HG ARG 41 1.640 -0.304 10.465 324 2HG ARG 41 1HG ARG 41 0.032 -0.074 9.774 325 1HD ARG 41 2HD ARG 41 -0.303 -2.217 10.340 326 2HD ARG 41 1HD ARG 41 0.658 -2.583 8.907 327 HE ARG 41 HE ARG 41 2.455 -2.236 10.975 328 1HH1 ARG 41 1HH1 ARG 41 -0.203 -4.376 10.241 329 2HH1 ARG 41 2HH1 ARG 41 0.454 -5.702 11.139 330 1HH2 ARG 41 1HH2 ARG 41 3.321 -3.981 12.156 331 2HH2 ARG 41 2HH2 ARG 41 2.455 -5.479 12.225 332 H LEU 42 H LEU 42 0.649 1.706 5.919 333 HA LEU 42 HA LEU 42 2.538 0.914 4.018 334 1HB LEU 42 2HB LEU 42 0.063 2.516 4.027 335 2HB LEU 42 1HB LEU 42 1.158 2.843 2.696 336 HG LEU 42 HG LEU 42 0.079 0.111 3.391 337 1HD1 LEU 42 1HD1 LEU 42 -0.963 0.738 0.970 338 2HD1 LEU 42 2HD1 LEU 42 -0.993 2.309 1.770 339 3HD1 LEU 42 3HD1 LEU 42 -1.812 0.930 2.504 340 1HD2 LEU 42 1HD2 LEU 42 2.040 -0.316 2.260 341 2HD2 LEU 42 2HD2 LEU 42 1.930 1.157 1.296 342 3HD2 LEU 42 3HD2 LEU 42 0.885 -0.216 0.932 343 H GLU 43 H GLU 43 2.104 3.955 5.712 344 HA GLU 43 HA GLU 43 3.860 5.491 4.098 345 1HB GLU 43 2HB GLU 43 2.143 6.455 5.614 346 2HB GLU 43 1HB GLU 43 3.106 5.934 6.990 347 1HG GLU 43 2HG GLU 43 4.724 7.456 5.176 348 2HG GLU 43 1HG GLU 43 3.265 8.354 5.597 349 H ILE 44 H ILE 44 4.388 3.167 6.587 350 HA ILE 44 HA ILE 44 7.058 4.102 7.211 351 HB ILE 44 HB ILE 44 5.775 1.507 8.046 352 1HG1 ILE 44 2HG1 ILE 44 5.443 4.298 9.030 353 2HG1 ILE 44 1HG1 ILE 44 4.285 2.974 8.998 354 1HG2 ILE 44 1HG2 ILE 44 8.332 1.995 8.211 355 2HG2 ILE 44 2HG2 ILE 44 7.484 1.275 9.579 356 3HG2 ILE 44 3HG2 ILE 44 7.858 2.998 9.583 357 1HD1 ILE 44 1HD1 ILE 44 4.847 3.587 11.269 358 2HD1 ILE 44 2HD1 ILE 44 6.555 3.298 10.943 359 3HD1 ILE 44 3HD1 ILE 44 5.412 1.955 10.912 360 H VAL 45 H VAL 45 5.612 1.236 5.674 361 HA VAL 45 HA VAL 45 7.975 -0.082 5.005 362 HB VAL 45 HB VAL 45 6.573 -1.031 3.063 363 1HG1 VAL 45 1HG1 VAL 45 4.957 -2.009 5.035 364 2HG1 VAL 45 2HG1 VAL 45 6.332 -1.397 5.954 365 3HG1 VAL 45 3HG1 VAL 45 6.585 -2.585 4.676 366 1HG2 VAL 45 1HG2 VAL 45 4.310 0.260 4.562 367 2HG2 VAL 45 2HG2 VAL 45 4.249 -0.631 3.042 368 3HG2 VAL 45 3HG2 VAL 45 5.006 0.959 3.102 369 H THR 46 H THR 46 6.242 2.476 3.326 370 HA THR 46 HA THR 46 7.942 2.365 1.008 371 HB THR 46 HB THR 46 6.672 4.509 0.445 372 HG1 THR 46 1HG THR 46 4.774 4.801 1.696 373 1HG2 THR 46 1HG2 THR 46 4.655 2.410 0.965 374 2HG2 THR 46 2HG2 THR 46 6.008 2.008 -0.092 375 3HG2 THR 46 3HG2 THR 46 4.955 3.366 -0.487 376 H ALA 47 H ALA 47 8.761 3.247 3.961 377 HA ALA 47 HA ALA 47 10.398 4.554 4.842 378 1HB ALA 47 1HB ALA 47 11.727 5.852 2.871 379 2HB ALA 47 2HB ALA 47 11.029 4.505 1.973 380 3HB ALA 47 3HB ALA 47 12.058 4.192 3.369 381 H GLY 48 H GLY 48 7.728 5.597 4.432 382 1HA GLY 48 2HA GLY 48 6.708 7.601 4.968 383 2HA GLY 48 1HA GLY 48 8.292 8.361 4.971 384 H ALA 49 H ALA 49 7.160 6.553 2.215 385 HA ALA 49 HA ALA 49 7.487 8.826 0.505 386 1HB ALA 49 1HB ALA 49 6.167 6.276 -0.344 387 2HB ALA 49 2HB ALA 49 7.901 6.339 -0.031 388 3HB ALA 49 3HB ALA 49 7.192 7.364 -1.278 389 H LEU 50 H LEU 50 4.691 6.839 1.460 390 HA LEU 50 HA LEU 50 2.881 8.809 0.294 391 1HB LEU 50 2HB LEU 50 2.656 5.992 1.203 392 2HB LEU 50 1HB LEU 50 1.217 6.985 1.331 393 HG LEU 50 HG LEU 50 2.759 6.679 -1.239 394 1HD1 LEU 50 1HD1 LEU 50 1.581 4.831 -1.827 395 2HD1 LEU 50 2HD1 LEU 50 0.193 5.260 -0.826 396 3HD1 LEU 50 3HD1 LEU 50 1.634 4.565 -0.084 397 1HD2 LEU 50 1HD2 LEU 50 1.201 8.641 -0.871 398 2HD2 LEU 50 2HD2 LEU 50 -0.112 7.465 -0.819 399 3HD2 LEU 50 3HD2 LEU 50 0.866 7.630 -2.277 400 H LYS 51 H LYS 51 2.241 10.463 1.492 401 HA LYS 51 HA LYS 51 2.479 10.425 4.361 402 1HB LYS 51 2HB LYS 51 1.538 12.754 4.172 403 2HB LYS 51 1HB LYS 51 3.033 12.478 3.288 404 1HG LYS 51 2HG LYS 51 2.042 12.709 1.258 405 2HG LYS 51 1HG LYS 51 0.489 12.089 1.821 406 1HD LYS 51 2HD LYS 51 0.032 14.336 1.492 407 2HD LYS 51 1HD LYS 51 0.408 14.278 3.214 408 1HE LYS 51 2HE LYS 51 2.555 14.835 1.202 409 2HE LYS 51 1HE LYS 51 1.479 16.123 1.742 410 1HZ LYS 51 1HZ LYS 51 3.477 16.080 3.068 411 2HZ LYS 51 2HZ LYS 51 3.220 14.460 3.480 412 3HZ LYS 51 3HZ LYS 51 2.150 15.650 4.028 413 H TYR 52 H TYR 52 0.961 9.849 5.761 414 HA TYR 52 HA TYR 52 -1.572 8.901 4.938 415 1HB TYR 52 2HB TYR 52 -0.211 8.236 7.014 416 2HB TYR 52 1HB TYR 52 -0.884 9.678 7.767 417 HD1 TYR 52 1HD TYR 52 -3.382 9.860 8.028 418 HD2 TYR 52 2HD TYR 52 -1.475 6.248 6.836 419 HE1 TYR 52 1HE TYR 52 -5.398 8.598 8.645 420 HE2 TYR 52 2HE TYR 52 -3.488 4.978 7.449 421 HH TYR 52 HH TYR 52 -6.230 5.859 7.645 422 H GLN 53 H GLN 53 -3.651 9.726 5.357 423 HA GLN 53 HA GLN 53 -3.866 12.503 6.224 424 1HB GLN 53 2HB GLN 53 -4.756 11.490 3.525 425 2HB GLN 53 1HB GLN 53 -5.363 12.979 4.235 426 1HG GLN 53 2HG GLN 53 -3.254 14.010 4.136 427 2HG GLN 53 1HG GLN 53 -2.433 12.481 3.830 428 1HE2 GLN 53 1HE2 GLN 53 -2.244 11.750 1.781 429 2HE2 GLN 53 2HE2 GLN 53 -2.819 12.598 0.390 430 H GLU 54 H GLU 54 -5.242 12.316 7.865 431 HA GLU 54 HA GLU 54 -7.148 10.279 8.180 432 1HB GLU 54 2HB GLU 54 -7.977 11.565 10.062 433 2HB GLU 54 1HB GLU 54 -6.218 11.594 10.045 434 1HG GLU 54 2HG GLU 54 -6.220 13.802 10.033 435 2HG GLU 54 1HG GLU 54 -7.192 13.825 8.562 436 H ASN 55 H ASN 55 -7.245 13.078 6.242 437 HA ASN 55 HA ASN 55 -9.813 13.975 6.273 438 1HB ASN 55 2HB ASN 55 -7.640 14.124 4.492 439 2HB ASN 55 1HB ASN 55 -9.017 13.608 3.523 440 1HD2 ASN 55 1HD2 ASN 55 -10.790 14.965 3.317 441 2HD2 ASN 55 2HD2 ASN 55 -10.710 16.645 3.710 442 H ALA 56 H ALA 56 -8.668 11.194 4.356 443 HA ALA 56 HA ALA 56 -11.330 10.489 3.560 444 1HB ALA 56 1HB ALA 56 -9.202 8.483 3.264 445 2HB ALA 56 2HB ALA 56 -8.924 10.029 2.462 446 3HB ALA 56 3HB ALA 56 -10.360 9.087 2.087 447 H TYR 57 H TYR 57 -9.225 9.693 6.179 448 HA TYR 57 HA TYR 57 -10.940 7.445 6.965 449 1HB TYR 57 2HB TYR 57 -8.405 8.113 8.394 450 2HB TYR 57 1HB TYR 57 -9.173 6.547 8.152 451 HD1 TYR 57 1HD TYR 57 -9.172 5.616 5.740 452 HD2 TYR 57 2HD TYR 57 -6.617 8.757 7.047 453 HE1 TYR 57 1HE TYR 57 -7.665 5.169 3.851 454 HE2 TYR 57 2HE TYR 57 -5.102 8.316 5.161 455 HH TYR 57 HH TYR 57 -5.496 5.542 3.090 456 H ARG 58 H ARG 58 -11.910 10.087 7.249 457 HA ARG 58 HA ARG 58 -11.730 10.564 10.141 458 1HB ARG 58 2HB ARG 58 -12.690 12.774 9.669 459 2HB ARG 58 1HB ARG 58 -11.220 12.499 8.749 460 1HG ARG 58 2HG ARG 58 -12.450 13.310 7.056 461 2HG ARG 58 1HG ARG 58 -13.040 11.652 6.966 462 1HD ARG 58 2HD ARG 58 -14.900 12.320 8.503 463 2HD ARG 58 1HD ARG 58 -14.340 13.987 8.366 464 HE ARG 58 HE ARG 58 -15.850 12.507 6.433 465 1HH1 ARG 58 1HH1 ARG 58 -13.560 15.112 6.855 466 2HH1 ARG 58 2HH1 ARG 58 -14.020 15.917 5.392 467 1HH2 ARG 58 1HH2 ARG 58 -16.450 13.562 4.508 468 2HH2 ARG 58 2HH2 ARG 58 -15.660 15.038 4.059 469 H GLN 59 H GLN 59 -14.010 9.995 7.514 470 HA GLN 59 HA GLN 59 -16.140 9.639 9.518 471 1HB GLN 59 2HB GLN 59 -16.620 11.421 7.905 472 2HB GLN 59 1HB GLN 59 -16.380 10.293 6.575 473 1HG GLN 59 2HG GLN 59 -18.710 10.534 6.864 474 2HG GLN 59 1HG GLN 59 -18.290 8.951 7.515 475 1HE2 GLN 59 1HE2 GLN 59 -20.030 11.689 8.061 476 2HE2 GLN 59 2HE2 GLN 59 -20.220 11.567 9.774 477 H ALA 60 H ALA 60 -14.590 8.265 6.676 478 HA ALA 60 HA ALA 60 -16.260 6.033 6.341 479 1HB ALA 60 1HB ALA 60 -14.570 5.142 4.936 480 2HB ALA 60 2HB ALA 60 -13.310 6.100 5.723 481 3HB ALA 60 3HB ALA 60 -14.530 6.891 4.720 482 H ALA 61 H ALA 61 -15.610 3.751 6.728 483 HA ALA 61 HA ALA 61 -14.100 3.416 9.229 484 1HB ALA 61 1HB ALA 61 -16.600 1.838 8.692 485 2HB ALA 61 2HB ALA 61 -16.660 3.409 9.491 486 3HB ALA 61 3HB ALA 61 -15.750 2.087 10.218 Start of MODEL 13 1 1H MET 1 1HT MET 1 -4.390 5.798 1.517 2 2H MET 1 2HT MET 1 -5.607 6.975 1.795 3 3H MET 1 3HT MET 1 -3.973 7.320 2.184 4 HA MET 1 HA MET 1 -4.761 8.373 0.148 5 1HB MET 1 2HB MET 1 -2.732 7.869 -1.060 6 2HB MET 1 1HB MET 1 -2.382 7.856 0.662 7 1HG MET 1 2HG MET 1 -2.969 5.247 0.238 8 2HG MET 1 1HG MET 1 -2.256 5.691 -1.312 9 1HE MET 1 1HE MET 1 -2.028 6.621 2.236 10 2HE MET 1 2HE MET 1 -0.350 7.139 2.408 11 3HE MET 1 3HE MET 1 -0.808 5.483 2.811 12 H TYR 2 H TYR 2 -4.212 7.485 -2.350 13 HA TYR 2 HA TYR 2 -6.552 5.890 -2.934 14 1HB TYR 2 2HB TYR 2 -4.535 7.288 -4.696 15 2HB TYR 2 1HB TYR 2 -5.880 6.343 -5.327 16 HD1 TYR 2 1HD TYR 2 -5.038 9.478 -5.331 17 HD2 TYR 2 2HD TYR 2 -8.037 7.118 -3.449 18 HE1 TYR 2 1HE TYR 2 -6.492 11.455 -5.178 19 HE2 TYR 2 2HE TYR 2 -9.499 9.089 -3.292 20 HH TYR 2 HH TYR 2 -9.157 11.635 -3.225 21 H LYS 3 H LYS 3 -6.606 3.836 -3.668 22 HA LYS 3 HA LYS 3 -4.513 2.078 -3.127 23 1HB LYS 3 2HB LYS 3 -6.903 1.436 -3.326 24 2HB LYS 3 1HB LYS 3 -6.793 1.655 -5.066 25 1HG LYS 3 2HG LYS 3 -4.751 -0.058 -4.669 26 2HG LYS 3 1HG LYS 3 -5.839 -0.547 -3.368 27 1HD LYS 3 2HD LYS 3 -7.654 -0.491 -5.236 28 2HD LYS 3 1HD LYS 3 -6.271 -0.607 -6.326 29 1HE LYS 3 2HE LYS 3 -6.232 -2.802 -5.995 30 2HE LYS 3 1HE LYS 3 -5.862 -2.516 -4.295 31 1HZ LYS 3 1HZ LYS 3 -7.777 -3.618 -3.987 32 2HZ LYS 3 2HZ LYS 3 -8.362 -3.289 -5.541 33 3HZ LYS 3 3HZ LYS 3 -8.501 -2.124 -4.323 34 H LYS 4 H LYS 4 -5.230 3.929 -5.984 35 HA LYS 4 HA LYS 4 -3.756 2.486 -7.879 36 1HB LYS 4 2HB LYS 4 -5.344 4.356 -8.367 37 2HB LYS 4 1HB LYS 4 -4.127 5.483 -7.785 38 1HG LYS 4 2HG LYS 4 -3.887 5.522 -10.098 39 2HG LYS 4 1HG LYS 4 -2.592 4.456 -9.552 40 1HD LYS 4 2HD LYS 4 -3.420 2.734 -10.703 41 2HD LYS 4 1HD LYS 4 -5.035 2.985 -10.039 42 1HE LYS 4 2HE LYS 4 -3.977 4.760 -12.206 43 2HE LYS 4 1HE LYS 4 -4.676 3.189 -12.594 44 1HZ LYS 4 1HZ LYS 4 -6.553 4.176 -10.994 45 2HZ LYS 4 2HZ LYS 4 -6.559 4.394 -12.671 46 3HZ LYS 4 3HZ LYS 4 -5.970 5.617 -11.662 47 H ASP 5 H ASP 5 -2.775 5.227 -5.830 48 HA ASP 5 HA ASP 5 -0.139 5.424 -6.733 49 1HB ASP 5 2HB ASP 5 -1.687 6.762 -4.894 50 2HB ASP 5 1HB ASP 5 -0.478 5.987 -3.874 51 H VAL 6 H VAL 6 -1.473 3.569 -4.008 52 HA VAL 6 HA VAL 6 0.879 2.535 -2.992 53 HB VAL 6 HB VAL 6 -1.645 0.909 -3.121 54 1HG1 VAL 6 1HG1 VAL 6 0.494 1.299 -1.047 55 2HG1 VAL 6 2HG1 VAL 6 0.263 -0.117 -2.071 56 3HG1 VAL 6 3HG1 VAL 6 -0.937 0.291 -0.846 57 1HG2 VAL 6 1HG2 VAL 6 -2.175 2.216 -0.928 58 2HG2 VAL 6 2HG2 VAL 6 -2.615 2.913 -2.488 59 3HG2 VAL 6 3HG2 VAL 6 -1.167 3.470 -1.651 60 H ILE 7 H ILE 7 -1.325 1.004 -5.342 61 HA ILE 7 HA ILE 7 0.237 -1.256 -5.850 62 HB ILE 7 HB ILE 7 -1.734 0.159 -7.648 63 1HG1 ILE 7 2HG1 ILE 7 -2.005 -2.260 -5.849 64 2HG1 ILE 7 1HG1 ILE 7 -2.689 -0.666 -5.549 65 1HG2 ILE 7 1HG2 ILE 7 -0.264 -1.203 -9.002 66 2HG2 ILE 7 2HG2 ILE 7 -1.853 -1.964 -8.894 67 3HG2 ILE 7 3HG2 ILE 7 -0.512 -2.583 -7.930 68 1HD1 ILE 7 1HD1 ILE 7 -3.417 -2.506 -7.815 69 2HD1 ILE 7 2HD1 ILE 7 -4.097 -0.904 -7.530 70 3HD1 ILE 7 3HD1 ILE 7 -4.375 -2.200 -6.366 71 H ASP 8 H ASP 8 0.403 1.990 -7.138 72 HA ASP 8 HA ASP 8 2.193 1.332 -9.279 73 1HB ASP 8 2HB ASP 8 0.749 3.660 -8.367 74 2HB ASP 8 1HB ASP 8 2.425 4.080 -8.704 75 H HIS 9 H HIS 9 2.483 2.108 -5.927 76 HA HIS 9 HA HIS 9 5.277 2.813 -6.102 77 1HB HIS 9 2HB HIS 9 3.950 3.929 -4.416 78 2HB HIS 9 1HB HIS 9 3.435 2.388 -3.741 79 HD1 HIS 9 1HD HIS 9 6.130 4.895 -3.591 80 HD2 HIS 9 2HD HIS 9 5.490 0.999 -2.293 81 HE1 HIS 9 1HE HIS 9 7.923 4.450 -1.885 82 HE2 HIS 9 2HE HIS 9 7.467 2.116 -1.056 83 H PHE 10 H PHE 10 3.312 0.034 -5.336 84 HA PHE 10 HA PHE 10 5.619 -1.514 -4.460 85 1HB PHE 10 2HB PHE 10 2.657 -1.955 -4.463 86 2HB PHE 10 1HB PHE 10 3.747 -3.329 -4.301 87 HD1 PHE 10 1HD PHE 10 2.385 -0.369 -2.699 88 HD2 PHE 10 2HD PHE 10 5.207 -3.529 -2.364 89 HE1 PHE 10 1HE PHE 10 2.614 0.100 -0.295 90 HE2 PHE 10 2HE PHE 10 5.442 -3.072 0.044 91 HZ PHE 10 HZ PHE 10 4.144 -1.255 1.083 92 H GLY 11 H GLY 11 3.366 -1.293 -7.154 93 1HA GLY 11 2HA GLY 11 3.886 -1.912 -9.368 94 2HA GLY 11 1HA GLY 11 5.195 -2.913 -8.757 95 H THR 12 H THR 12 3.900 -4.479 -6.912 96 HA THR 12 HA THR 12 1.803 -5.841 -8.462 97 HB THR 12 HB THR 12 2.788 -8.015 -7.733 98 HG1 THR 12 1HG THR 12 4.850 -6.314 -6.805 99 1HG2 THR 12 1HG2 THR 12 3.418 -7.680 -9.895 100 2HG2 THR 12 2HG2 THR 12 4.997 -7.721 -9.113 101 3HG2 THR 12 3HG2 THR 12 4.262 -6.175 -9.535 102 H GLN 13 H GLN 13 0.228 -6.925 -7.259 103 HA GLN 13 HA GLN 13 -0.508 -5.772 -4.827 104 1HB GLN 13 2HB GLN 13 -1.373 -8.282 -6.238 105 2HB GLN 13 1HB GLN 13 -2.047 -7.837 -4.677 106 1HG GLN 13 2HG GLN 13 -2.439 -5.535 -5.929 107 2HG GLN 13 1HG GLN 13 -2.431 -6.597 -7.337 108 1HE2 GLN 13 1HE2 GLN 13 -3.574 -8.864 -6.184 109 2HE2 GLN 13 2HE2 GLN 13 -5.225 -8.520 -5.811 110 H ARG 14 H ARG 14 0.762 -9.051 -5.415 111 HA ARG 14 HA ARG 14 0.908 -10.023 -2.874 112 1HB ARG 14 2HB ARG 14 1.681 -11.027 -5.167 113 2HB ARG 14 1HB ARG 14 3.260 -10.424 -4.683 114 1HG ARG 14 2HG ARG 14 3.371 -12.540 -3.853 115 2HG ARG 14 1HG ARG 14 2.692 -11.705 -2.454 116 1HD ARG 14 2HD ARG 14 0.460 -12.405 -3.085 117 2HD ARG 14 1HD ARG 14 1.085 -13.162 -4.549 118 HE ARG 14 HE ARG 14 2.266 -14.175 -2.133 119 1HH1 ARG 14 1HH1 ARG 14 -0.415 -14.468 -4.348 120 2HH1 ARG 14 2HH1 ARG 14 -0.749 -16.113 -3.922 121 1HH2 ARG 14 1HH2 ARG 14 1.829 -16.339 -1.572 122 2HH2 ARG 14 2HH2 ARG 14 0.524 -17.175 -2.346 123 H ALA 15 H ALA 15 2.991 -7.613 -4.331 124 HA ALA 15 HA ALA 15 5.067 -7.640 -2.438 125 1HB ALA 15 1HB ALA 15 5.650 -5.445 -3.283 126 2HB ALA 15 2HB ALA 15 4.067 -5.292 -4.046 127 3HB ALA 15 3HB ALA 15 5.210 -6.508 -4.621 128 H VAL 16 H VAL 16 2.229 -5.493 -2.666 129 HA VAL 16 HA VAL 16 2.647 -4.081 -0.309 130 HB VAL 16 HB VAL 16 -0.165 -4.690 -1.069 131 1HG1 VAL 16 1HG1 VAL 16 -0.114 -2.096 -0.930 132 2HG1 VAL 16 2HG1 VAL 16 1.441 -2.360 -0.144 133 3HG1 VAL 16 3HG1 VAL 16 -0.024 -3.056 0.546 134 1HG2 VAL 16 1HG2 VAL 16 1.852 -3.542 -2.925 135 2HG2 VAL 16 2HG2 VAL 16 0.259 -2.787 -2.870 136 3HG2 VAL 16 3HG2 VAL 16 0.412 -4.498 -3.270 137 H ALA 17 H ALA 17 0.965 -7.134 -0.879 138 HA ALA 17 HA ALA 17 -0.069 -7.411 1.747 139 1HB ALA 17 1HB ALA 17 -0.481 -8.705 -0.600 140 2HB ALA 17 2HB ALA 17 -1.017 -9.296 0.972 141 3HB ALA 17 3HB ALA 17 0.489 -9.891 0.274 142 H LYS 18 H LYS 18 2.987 -8.221 0.260 143 HA LYS 18 HA LYS 18 3.872 -9.887 2.433 144 1HB LYS 18 2HB LYS 18 4.614 -9.768 -0.130 145 2HB LYS 18 1HB LYS 18 5.823 -8.681 0.542 146 1HG LYS 18 2HG LYS 18 6.929 -10.339 1.594 147 2HG LYS 18 1HG LYS 18 5.456 -11.239 1.960 148 1HD LYS 18 2HD LYS 18 5.396 -12.230 -0.156 149 2HD LYS 18 1HD LYS 18 6.494 -11.033 -0.847 150 1HE LYS 18 2HE LYS 18 8.024 -12.666 -0.587 151 2HE LYS 18 1HE LYS 18 8.070 -12.082 1.075 152 1HZ LYS 18 1HZ LYS 18 6.506 -13.785 1.706 153 2HZ LYS 18 2HZ LYS 18 7.832 -14.500 0.937 154 3HZ LYS 18 3HZ LYS 18 6.370 -14.316 0.105 155 H ALA 19 H ALA 19 4.304 -6.543 1.424 156 HA ALA 19 HA ALA 19 6.288 -5.939 3.392 157 1HB ALA 19 1HB ALA 19 5.928 -4.715 1.211 158 2HB ALA 19 2HB ALA 19 6.152 -3.704 2.637 159 3HB ALA 19 3HB ALA 19 4.536 -3.948 1.975 160 H LEU 20 H LEU 20 2.789 -5.477 3.148 161 HA LEU 20 HA LEU 20 2.622 -4.153 5.699 162 1HB LEU 20 2HB LEU 20 0.575 -5.161 3.741 163 2HB LEU 20 1HB LEU 20 0.118 -4.509 5.303 164 HG LEU 20 HG LEU 20 1.623 -3.011 3.157 165 1HD1 LEU 20 1HD1 LEU 20 -0.493 -1.668 3.074 166 2HD1 LEU 20 2HD1 LEU 20 -1.251 -2.931 4.045 167 3HD1 LEU 20 3HD1 LEU 20 -0.623 -3.309 2.440 168 1HD2 LEU 20 1HD2 LEU 20 2.331 -2.009 5.110 169 2HD2 LEU 20 2HD2 LEU 20 0.820 -2.343 5.955 170 3HD2 LEU 20 3HD2 LEU 20 0.885 -1.073 4.734 171 H GLY 21 H GLY 21 2.162 -7.397 4.453 172 1HA GLY 21 2HA GLY 21 2.492 -9.311 5.844 173 2HA GLY 21 1HA GLY 21 1.973 -8.356 7.225 174 H ILE 22 H ILE 22 0.209 -8.269 4.225 175 HA ILE 22 HA ILE 22 -1.948 -9.820 5.506 176 HB ILE 22 HB ILE 22 -3.539 -8.505 4.148 177 1HG1 ILE 22 2HG1 ILE 22 -1.117 -6.825 3.462 178 2HG1 ILE 22 1HG1 ILE 22 -1.965 -7.885 2.341 179 1HG2 ILE 22 1HG2 ILE 22 -3.560 -7.580 6.206 180 2HG2 ILE 22 2HG2 ILE 22 -2.825 -6.217 5.362 181 3HG2 ILE 22 3HG2 ILE 22 -1.812 -7.360 6.244 182 1HD1 ILE 22 1HD1 ILE 22 -3.591 -5.844 3.718 183 2HD1 ILE 22 2HD1 ILE 22 -3.674 -6.442 2.059 184 3HD1 ILE 22 3HD1 ILE 22 -2.435 -5.272 2.516 185 H SER 23 H SER 23 -3.618 -10.426 3.611 186 HA SER 23 HA SER 23 -2.087 -12.155 1.844 187 1HB SER 23 2HB SER 23 -3.906 -13.205 3.035 188 2HB SER 23 1HB SER 23 -5.046 -11.992 2.454 189 HG SER 23 HG SER 23 -5.084 -14.011 1.282 190 H ASP 24 H ASP 24 -2.720 -12.386 -0.433 191 HA ASP 24 HA ASP 24 -2.594 -9.948 -1.809 192 1HB ASP 24 2HB ASP 24 -1.969 -12.340 -2.593 193 2HB ASP 24 1HB ASP 24 -3.659 -12.460 -3.075 194 H ALA 25 H ALA 25 -5.305 -11.913 -0.808 195 HA ALA 25 HA ALA 25 -7.280 -10.735 -2.450 196 1HB ALA 25 1HB ALA 25 -8.813 -11.572 -0.522 197 2HB ALA 25 2HB ALA 25 -7.337 -12.333 0.072 198 3HB ALA 25 3HB ALA 25 -7.955 -12.738 -1.530 199 H ALA 26 H ALA 26 -6.132 -9.986 0.816 200 HA ALA 26 HA ALA 26 -8.004 -8.009 1.455 201 1HB ALA 26 1HB ALA 26 -6.780 -7.692 3.325 202 2HB ALA 26 2HB ALA 26 -5.256 -7.597 2.443 203 3HB ALA 26 3HB ALA 26 -5.978 -9.168 2.791 204 H VAL 27 H VAL 27 -5.123 -7.900 -0.515 205 HA VAL 27 HA VAL 27 -4.966 -5.042 -0.632 206 HB VAL 27 HB VAL 27 -3.745 -7.062 -2.519 207 1HG1 VAL 27 1HG1 VAL 27 -2.104 -5.256 -2.941 208 2HG1 VAL 27 2HG1 VAL 27 -3.089 -4.173 -1.958 209 3HG1 VAL 27 3HG1 VAL 27 -3.740 -4.842 -3.456 210 1HG2 VAL 27 1HG2 VAL 27 -1.726 -6.862 -1.144 211 2HG2 VAL 27 2HG2 VAL 27 -3.078 -7.517 -0.220 212 3HG2 VAL 27 3HG2 VAL 27 -2.601 -5.831 -0.012 213 H SER 28 H SER 28 -6.136 -7.572 -2.838 214 HA SER 28 HA SER 28 -6.939 -5.800 -4.893 215 1HB SER 28 2HB SER 28 -6.785 -8.563 -4.578 216 2HB SER 28 1HB SER 28 -8.509 -8.250 -4.783 217 HG SER 28 HG SER 28 -7.989 -8.193 -6.822 218 H GLN 29 H GLN 29 -8.595 -7.156 -2.096 219 HA GLN 29 HA GLN 29 -11.200 -6.381 -2.732 220 1HB GLN 29 2HB GLN 29 -9.752 -7.092 -0.243 221 2HB GLN 29 1HB GLN 29 -11.280 -6.250 -0.059 222 1HG GLN 29 2HG GLN 29 -12.440 -7.974 -1.258 223 2HG GLN 29 1HG GLN 29 -10.920 -8.775 -1.652 224 1HE2 GLN 29 1HE2 GLN 29 -10.510 -10.483 -0.463 225 2HE2 GLN 29 2HE2 GLN 29 -11.010 -10.737 1.171 226 H TRP 30 H TRP 30 -8.498 -4.496 -1.783 227 HA TRP 30 HA TRP 30 -9.621 -2.361 -0.441 228 1HB TRP 30 2HB TRP 30 -7.337 -2.485 -2.406 229 2HB TRP 30 1HB TRP 30 -7.774 -0.996 -1.574 230 HD1 TRP 30 HD TRP 30 -8.443 -3.271 1.037 231 HE1 TRP 30 1HE TRP 30 -6.412 -3.692 2.560 232 HE3 TRP 30 3HE TRP 30 -4.751 -1.488 -2.019 233 HZ2 TRP 30 2HZ TRP 30 -3.614 -3.318 2.477 234 HZ3 TRP 30 3HZ TRP 30 -2.425 -1.555 -1.222 235 HH2 TRP 30 HH TRP 30 -1.870 -2.451 0.980 236 H LYS 31 H LYS 31 -10.190 -0.215 -1.180 237 HA LYS 31 HA LYS 31 -11.470 -0.227 -3.833 238 1HB LYS 31 2HB LYS 31 -13.260 1.108 -2.943 239 2HB LYS 31 1HB LYS 31 -13.070 -0.314 -1.929 240 1HG LYS 31 2HG LYS 31 -11.490 1.411 -0.607 241 2HG LYS 31 1HG LYS 31 -12.660 2.531 -1.298 242 1HD LYS 31 2HD LYS 31 -14.450 0.943 -0.392 243 2HD LYS 31 1HD LYS 31 -13.150 0.212 0.551 244 1HE LYS 31 2HE LYS 31 -13.000 1.974 1.956 245 2HE LYS 31 1HE LYS 31 -13.320 3.149 0.682 246 1HZ LYS 31 1HZ LYS 31 -15.110 3.105 2.291 247 2HZ LYS 31 2HZ LYS 31 -15.350 1.451 2.030 248 3HZ LYS 31 3HZ LYS 31 -15.670 2.558 0.791 249 H GLU 32 H GLU 32 -12.230 2.477 -3.834 250 HA GLU 32 HA GLU 32 -10.110 3.758 -4.978 251 1HB GLU 32 2HB GLU 32 -12.740 4.434 -4.300 252 2HB GLU 32 1HB GLU 32 -11.750 5.668 -3.529 253 1HG GLU 32 2HG GLU 32 -10.840 6.373 -5.571 254 2HG GLU 32 1HG GLU 32 -11.400 4.928 -6.412 255 H VAL 33 H VAL 33 -10.940 3.651 -1.559 256 HA VAL 33 HA VAL 33 -8.389 4.996 -0.970 257 HB VAL 33 HB VAL 33 -10.850 5.093 0.772 258 1HG1 VAL 33 1HG1 VAL 33 -9.680 6.558 2.159 259 2HG1 VAL 33 2HG1 VAL 33 -8.452 6.880 0.935 260 3HG1 VAL 33 3HG1 VAL 33 -8.491 5.320 1.756 261 1HG2 VAL 33 1HG2 VAL 33 -11.250 7.307 0.009 262 2HG2 VAL 33 2HG2 VAL 33 -11.080 6.297 -1.426 263 3HG2 VAL 33 3HG2 VAL 33 -9.755 7.333 -0.914 264 H ILE 34 H ILE 34 -6.976 3.645 -0.102 265 HA ILE 34 HA ILE 34 -7.495 1.044 0.721 266 HB ILE 34 HB ILE 34 -5.274 1.259 1.986 267 1HG1 ILE 34 2HG1 ILE 34 -5.143 3.876 0.481 268 2HG1 ILE 34 1HG1 ILE 34 -5.492 3.772 2.203 269 1HG2 ILE 34 1HG2 ILE 34 -5.746 0.500 -0.440 270 2HG2 ILE 34 2HG2 ILE 34 -4.089 0.869 0.038 271 3HG2 ILE 34 3HG2 ILE 34 -5.022 2.045 -0.886 272 1HD1 ILE 34 1HD1 ILE 34 -3.290 2.493 2.381 273 2HD1 ILE 34 2HD1 ILE 34 -3.215 4.231 2.086 274 3HD1 ILE 34 3HD1 ILE 34 -2.960 3.100 0.759 275 HA PRO 35 HA PRO 35 -9.142 0.974 4.791 276 1HB PRO 35 2HB PRO 35 -6.747 -0.573 5.653 277 2HB PRO 35 1HB PRO 35 -8.462 -0.960 5.831 278 1HG PRO 35 2HG PRO 35 -6.980 -2.199 4.001 279 2HG PRO 35 1HG PRO 35 -8.653 -1.725 3.648 280 1HD PRO 35 2HD PRO 35 -6.096 -0.463 2.762 281 2HD PRO 35 1HD PRO 35 -7.627 -0.650 1.884 282 H GLU 36 H GLU 36 -8.881 1.790 6.915 283 HA GLU 36 HA GLU 36 -7.209 4.067 7.095 284 1HB GLU 36 2HB GLU 36 -9.501 3.280 8.317 285 2HB GLU 36 1HB GLU 36 -8.337 2.990 9.601 286 1HG GLU 36 2HG GLU 36 -7.554 5.329 9.344 287 2HG GLU 36 1HG GLU 36 -8.848 5.586 8.176 288 H LYS 37 H LYS 37 -6.932 0.785 8.304 289 HA LYS 37 HA LYS 37 -4.611 1.463 9.918 290 1HB LYS 37 2HB LYS 37 -4.652 -0.888 10.606 291 2HB LYS 37 1HB LYS 37 -6.226 -0.132 10.815 292 1HG LYS 37 2HG LYS 37 -7.072 -1.210 8.848 293 2HG LYS 37 1HG LYS 37 -5.473 -1.845 8.459 294 1HD LYS 37 2HD LYS 37 -5.518 -3.122 10.584 295 2HD LYS 37 1HD LYS 37 -7.167 -2.555 10.851 296 1HE LYS 37 2HE LYS 37 -7.372 -3.546 8.342 297 2HE LYS 37 1HE LYS 37 -6.142 -4.613 9.014 298 1HZ LYS 37 1HZ LYS 37 -7.590 -5.490 10.519 299 2HZ LYS 37 2HZ LYS 37 -8.678 -5.141 9.271 300 3HZ LYS 37 3HZ LYS 37 -8.553 -4.099 10.597 301 H ASP 38 H ASP 38 -5.299 0.204 6.775 302 HA ASP 38 HA ASP 38 -2.728 -1.053 6.444 303 1HB ASP 38 2HB ASP 38 -5.058 -0.505 4.632 304 2HB ASP 38 1HB ASP 38 -3.513 -1.005 3.955 305 H ALA 39 H ALA 39 -4.251 1.985 5.496 306 HA ALA 39 HA ALA 39 -2.136 2.943 3.893 307 1HB ALA 39 1HB ALA 39 -4.483 3.831 3.938 308 2HB ALA 39 2HB ALA 39 -3.218 5.061 3.976 309 3HB ALA 39 3HB ALA 39 -4.075 4.633 5.457 310 H TYR 40 H TYR 40 -2.655 2.862 7.332 311 HA TYR 40 HA TYR 40 -0.790 4.872 8.052 312 1HB TYR 40 2HB TYR 40 -2.504 4.101 9.611 313 2HB TYR 40 1HB TYR 40 -1.792 2.485 9.621 314 HD1 TYR 40 1HD TYR 40 -0.223 1.935 11.240 315 HD2 TYR 40 2HD TYR 40 -0.968 6.038 10.400 316 HE1 TYR 40 1HE TYR 40 1.223 2.578 13.125 317 HE2 TYR 40 2HE TYR 40 0.475 6.694 12.279 318 HH TYR 40 HH TYR 40 1.231 5.038 14.683 319 H ARG 41 H ARG 41 -0.515 1.316 8.173 320 HA ARG 41 HA ARG 41 2.224 1.266 8.793 321 1HB ARG 41 2HB ARG 41 0.644 -0.845 7.315 322 2HB ARG 41 1HB ARG 41 2.153 -1.085 8.187 323 1HG ARG 41 2HG ARG 41 1.137 -0.874 10.262 324 2HG ARG 41 1HG ARG 41 -0.274 -0.049 9.596 325 1HD ARG 41 2HD ARG 41 -1.328 -2.001 9.506 326 2HD ARG 41 1HD ARG 41 -0.141 -2.560 8.329 327 HE ARG 41 HE ARG 41 0.846 -3.821 9.969 328 1HH1 ARG 41 1HH1 ARG 41 -1.343 -1.542 11.448 329 2HH1 ARG 41 2HH1 ARG 41 -1.221 -2.255 13.021 330 1HH2 ARG 41 1HH2 ARG 41 1.010 -4.761 12.036 331 2HH2 ARG 41 2HH2 ARG 41 0.115 -4.084 13.355 332 H LEU 42 H LEU 42 0.526 1.580 5.766 333 HA LEU 42 HA LEU 42 2.520 0.829 3.971 334 1HB LEU 42 2HB LEU 42 0.200 2.707 3.843 335 2HB LEU 42 1HB LEU 42 1.356 2.695 2.524 336 HG LEU 42 HG LEU 42 -0.136 0.253 3.480 337 1HD1 LEU 42 1HD1 LEU 42 -0.796 1.333 0.852 338 2HD1 LEU 42 2HD1 LEU 42 -1.254 2.390 2.187 339 3HD1 LEU 42 3HD1 LEU 42 -1.850 0.731 2.132 340 1HD2 LEU 42 1HD2 LEU 42 2.174 0.370 2.049 341 2HD2 LEU 42 2HD2 LEU 42 0.964 0.374 0.767 342 3HD2 LEU 42 3HD2 LEU 42 0.992 -0.935 1.948 343 H GLU 43 H GLU 43 1.826 4.064 5.298 344 HA GLU 43 HA GLU 43 3.794 5.505 4.009 345 1HB GLU 43 2HB GLU 43 1.936 6.095 5.885 346 2HB GLU 43 1HB GLU 43 3.395 6.169 6.864 347 1HG GLU 43 2HG GLU 43 4.012 7.572 4.537 348 2HG GLU 43 1HG GLU 43 2.367 8.054 4.948 349 H ILE 44 H ILE 44 4.060 3.722 7.072 350 HA ILE 44 HA ILE 44 6.803 4.363 7.478 351 HB ILE 44 HB ILE 44 5.275 2.038 8.644 352 1HG1 ILE 44 2HG1 ILE 44 5.248 4.959 9.233 353 2HG1 ILE 44 1HG1 ILE 44 3.953 3.774 9.366 354 1HG2 ILE 44 1HG2 ILE 44 7.712 3.513 9.637 355 2HG2 ILE 44 2HG2 ILE 44 7.708 1.913 8.895 356 3HG2 ILE 44 3HG2 ILE 44 6.908 2.168 10.446 357 1HD1 ILE 44 1HD1 ILE 44 6.249 4.100 11.280 358 2HD1 ILE 44 2HD1 ILE 44 4.947 2.919 11.421 359 3HD1 ILE 44 3HD1 ILE 44 4.591 4.642 11.539 360 H VAL 45 H VAL 45 5.125 1.513 6.189 361 HA VAL 45 HA VAL 45 7.378 -0.109 5.831 362 HB VAL 45 HB VAL 45 4.709 -0.468 5.483 363 1HG1 VAL 45 1HG1 VAL 45 5.844 -0.691 2.705 364 2HG1 VAL 45 2HG1 VAL 45 4.836 0.648 3.250 365 3HG1 VAL 45 3HG1 VAL 45 4.184 -0.989 3.221 366 1HG2 VAL 45 1HG2 VAL 45 6.643 -2.096 5.915 367 2HG2 VAL 45 2HG2 VAL 45 6.665 -2.317 4.165 368 3HG2 VAL 45 3HG2 VAL 45 5.212 -2.709 5.086 369 H THR 46 H THR 46 5.945 2.350 3.757 370 HA THR 46 HA THR 46 7.805 1.795 1.608 371 HB THR 46 HB THR 46 6.620 3.748 0.537 372 HG1 THR 46 1HG THR 46 4.968 4.679 1.548 373 1HG2 THR 46 1HG2 THR 46 4.871 2.501 -0.208 374 2HG2 THR 46 2HG2 THR 46 4.506 1.859 1.394 375 3HG2 THR 46 3HG2 THR 46 5.882 1.231 0.486 376 H ALA 47 H ALA 47 9.048 2.604 4.042 377 HA ALA 47 HA ALA 47 10.516 4.113 4.927 378 1HB ALA 47 1HB ALA 47 11.283 5.110 2.259 379 2HB ALA 47 2HB ALA 47 11.362 3.363 2.491 380 3HB ALA 47 3HB ALA 47 12.275 4.437 3.552 381 H GLY 48 H GLY 48 7.794 5.141 4.428 382 1HA GLY 48 2HA GLY 48 6.729 7.154 4.774 383 2HA GLY 48 1HA GLY 48 8.311 7.880 5.005 384 H ALA 49 H ALA 49 7.388 6.160 2.093 385 HA ALA 49 HA ALA 49 8.136 8.337 0.431 386 1HB ALA 49 1HB ALA 49 8.446 6.387 -0.697 387 2HB ALA 49 2HB ALA 49 6.836 6.788 -1.295 388 3HB ALA 49 3HB ALA 49 7.025 5.620 0.015 389 H LEU 50 H LEU 50 4.998 6.958 1.347 390 HA LEU 50 HA LEU 50 3.617 9.131 -0.032 391 1HB LEU 50 2HB LEU 50 2.700 6.573 1.255 392 2HB LEU 50 1HB LEU 50 1.563 7.822 0.788 393 HG LEU 50 HG LEU 50 3.422 7.035 -1.347 394 1HD1 LEU 50 1HD1 LEU 50 1.641 5.013 -1.626 395 2HD1 LEU 50 2HD1 LEU 50 1.871 5.020 0.123 396 3HD1 LEU 50 3HD1 LEU 50 3.259 4.830 -0.948 397 1HD2 LEU 50 1HD2 LEU 50 0.996 6.786 -2.392 398 2HD2 LEU 50 2HD2 LEU 50 1.755 8.359 -2.155 399 3HD2 LEU 50 3HD2 LEU 50 0.568 7.768 -0.991 400 H LYS 51 H LYS 51 1.554 9.878 1.273 401 HA LYS 51 HA LYS 51 2.396 10.523 4.020 402 1HB LYS 51 2HB LYS 51 1.289 12.757 3.679 403 2HB LYS 51 1HB LYS 51 2.765 12.510 2.757 404 1HG LYS 51 2HG LYS 51 1.633 12.333 0.743 405 2HG LYS 51 1HG LYS 51 0.101 11.942 1.527 406 1HD LYS 51 2HD LYS 51 1.422 14.605 1.933 407 2HD LYS 51 1HD LYS 51 0.400 14.297 0.527 408 1HE LYS 51 2HE LYS 51 -1.509 14.166 1.771 409 2HE LYS 51 1HE LYS 51 -0.666 13.565 3.199 410 1HZ LYS 51 1HZ LYS 51 0.270 15.833 3.462 411 2HZ LYS 51 2HZ LYS 51 -1.410 15.765 3.641 412 3HZ LYS 51 3HZ LYS 51 -0.738 16.361 2.209 413 H TYR 52 H TYR 52 0.958 10.001 5.528 414 HA TYR 52 HA TYR 52 -1.651 9.032 4.740 415 1HB TYR 52 2HB TYR 52 -0.197 7.900 6.465 416 2HB TYR 52 1HB TYR 52 -0.530 9.257 7.537 417 HD1 TYR 52 1HD TYR 52 -3.112 9.789 7.849 418 HD2 TYR 52 2HD TYR 52 -1.544 6.032 6.617 419 HE1 TYR 52 1HE TYR 52 -5.173 8.690 8.606 420 HE2 TYR 52 2HE TYR 52 -3.603 4.920 7.370 421 HH TYR 52 HH TYR 52 -6.390 6.746 8.466 422 H GLN 53 H GLN 53 -3.318 10.352 4.521 423 HA GLN 53 HA GLN 53 -3.433 12.779 6.183 424 1HB GLN 53 2HB GLN 53 -4.918 13.710 4.471 425 2HB GLN 53 1HB GLN 53 -3.380 13.216 3.775 426 1HG GLN 53 2HG GLN 53 -4.893 10.971 3.450 427 2HG GLN 53 1HG GLN 53 -6.083 12.254 3.241 428 1HE2 GLN 53 1HE2 GLN 53 -6.266 13.080 1.286 429 2HE2 GLN 53 2HE2 GLN 53 -5.084 12.990 0.029 430 H GLU 54 H GLU 54 -5.179 13.176 7.459 431 HA GLU 54 HA GLU 54 -6.989 10.943 7.894 432 1HB GLU 54 2HB GLU 54 -5.877 13.063 9.506 433 2HB GLU 54 1HB GLU 54 -7.626 13.019 9.680 434 1HG GLU 54 2HG GLU 54 -7.465 10.607 10.211 435 2HG GLU 54 1HG GLU 54 -5.709 10.751 10.157 436 H ASN 55 H ASN 55 -7.503 12.135 5.475 437 HA ASN 55 HA ASN 55 -9.731 13.968 5.842 438 1HB ASN 55 2HB ASN 55 -8.293 12.908 3.416 439 2HB ASN 55 1HB ASN 55 -9.793 13.821 3.280 440 1HD2 ASN 55 1HD2 ASN 55 -6.639 14.143 2.940 441 2HD2 ASN 55 2HD2 ASN 55 -6.415 15.784 3.430 442 H ALA 56 H ALA 56 -9.414 11.159 3.687 443 HA ALA 56 HA ALA 56 -12.180 10.561 3.793 444 1HB ALA 56 1HB ALA 56 -9.777 9.299 2.601 445 2HB ALA 56 2HB ALA 56 -11.290 9.779 1.847 446 3HB ALA 56 3HB ALA 56 -11.210 8.298 2.801 447 H TYR 57 H TYR 57 -9.649 9.905 5.949 448 HA TYR 57 HA TYR 57 -10.830 7.480 7.025 449 1HB TYR 57 2HB TYR 57 -8.451 9.075 7.988 450 2HB TYR 57 1HB TYR 57 -8.924 7.476 8.552 451 HD1 TYR 57 1HD TYR 57 -6.405 8.808 6.927 452 HD2 TYR 57 2HD TYR 57 -9.551 6.080 6.061 453 HE1 TYR 57 1HE TYR 57 -5.029 7.790 5.158 454 HE2 TYR 57 2HE TYR 57 -8.186 5.055 4.292 455 HH TYR 57 HH TYR 57 -6.326 5.491 2.914 456 H ARG 58 H ARG 58 -11.910 10.438 7.182 457 HA ARG 58 HA ARG 58 -12.530 10.315 10.058 458 1HB ARG 58 2HB ARG 58 -11.170 12.349 8.781 459 2HB ARG 58 1HB ARG 58 -12.830 12.947 8.808 460 1HG ARG 58 2HG ARG 58 -11.530 13.691 10.747 461 2HG ARG 58 1HG ARG 58 -12.920 12.698 11.211 462 1HD ARG 58 2HD ARG 58 -10.380 11.261 10.758 463 2HD ARG 58 1HD ARG 58 -10.420 12.334 12.156 464 HE ARG 58 HE ARG 58 -11.790 9.837 11.857 465 1HH1 ARG 58 1HH1 ARG 58 -11.870 12.941 13.451 466 2HH1 ARG 58 2HH1 ARG 58 -12.820 12.374 14.782 467 1HH2 ARG 58 1HH2 ARG 58 -13.040 9.091 13.607 468 2HH2 ARG 58 2HH2 ARG 58 -13.490 10.189 14.871 469 H GLN 59 H GLN 59 -14.460 9.244 9.896 470 HA GLN 59 HA GLN 59 -16.490 10.200 8.047 471 1HB GLN 59 2HB GLN 59 -17.840 8.315 9.043 472 2HB GLN 59 1HB GLN 59 -16.370 7.832 8.220 473 1HG GLN 59 2HG GLN 59 -15.460 6.992 10.081 474 2HG GLN 59 1HG GLN 59 -16.020 8.333 11.078 475 1HE2 GLN 59 1HE2 GLN 59 -16.220 6.232 12.435 476 2HE2 GLN 59 2HE2 GLN 59 -17.790 5.510 12.438 477 H ALA 60 H ALA 60 -16.170 12.301 9.453 478 HA ALA 60 HA ALA 60 -18.000 12.239 11.753 479 1HB ALA 60 1HB ALA 60 -16.580 14.743 11.167 480 2HB ALA 60 2HB ALA 60 -15.540 13.369 11.555 481 3HB ALA 60 3HB ALA 60 -16.790 13.883 12.694 482 H ALA 61 H ALA 61 -18.930 12.116 8.997 483 HA ALA 61 HA ALA 61 -20.780 14.361 9.120 484 1HB ALA 61 1HB ALA 61 -18.600 14.661 7.530 485 2HB ALA 61 2HB ALA 61 -20.160 15.436 7.246 486 3HB ALA 61 3HB ALA 61 -19.750 13.944 6.401 Start of MODEL 14 1 1H MET 1 1HT MET 1 -5.910 7.220 1.861 2 2H MET 1 2HT MET 1 -6.028 8.291 0.524 3 3H MET 1 3HT MET 1 -4.819 8.534 1.718 4 HA MET 1 HA MET 1 -3.752 7.608 -0.089 5 1HB MET 1 2HB MET 1 -3.970 6.348 2.419 6 2HB MET 1 1HB MET 1 -3.963 5.049 1.234 7 1HG MET 1 2HG MET 1 -1.739 5.228 1.477 8 2HG MET 1 1HG MET 1 -1.935 6.516 0.289 9 1HE MET 1 1HE MET 1 0.140 6.514 3.972 10 2HE MET 1 2HE MET 1 0.884 7.112 2.490 11 3HE MET 1 3HE MET 1 0.050 5.558 2.491 12 H TYR 2 H TYR 2 -4.221 7.003 -2.092 13 HA TYR 2 HA TYR 2 -6.539 5.326 -2.608 14 1HB TYR 2 2HB TYR 2 -4.799 7.113 -4.235 15 2HB TYR 2 1HB TYR 2 -5.619 5.795 -5.066 16 HD1 TYR 2 1HD TYR 2 -6.793 7.921 -2.237 17 HD2 TYR 2 2HD TYR 2 -7.303 6.811 -6.314 18 HE1 TYR 2 1HE TYR 2 -8.843 9.273 -2.343 19 HE2 TYR 2 2HE TYR 2 -9.355 8.161 -6.430 20 HH TYR 2 HH TYR 2 -10.860 9.458 -3.637 21 H LYS 3 H LYS 3 -6.495 3.346 -3.636 22 HA LYS 3 HA LYS 3 -4.348 1.641 -3.045 23 1HB LYS 3 2HB LYS 3 -6.651 0.848 -3.311 24 2HB LYS 3 1HB LYS 3 -6.603 1.255 -5.021 25 1HG LYS 3 2HG LYS 3 -4.460 -0.373 -4.849 26 2HG LYS 3 1HG LYS 3 -5.491 -1.058 -3.592 27 1HD LYS 3 2HD LYS 3 -7.354 -0.973 -5.359 28 2HD LYS 3 1HD LYS 3 -6.048 -0.757 -6.526 29 1HE LYS 3 2HE LYS 3 -5.603 -2.941 -4.630 30 2HE LYS 3 1HE LYS 3 -7.019 -3.163 -5.655 31 1HZ LYS 3 1HZ LYS 3 -5.626 -3.860 -7.215 32 2HZ LYS 3 2HZ LYS 3 -4.267 -3.398 -6.322 33 3HZ LYS 3 3HZ LYS 3 -5.029 -2.282 -7.337 34 H LYS 4 H LYS 4 -5.306 3.216 -6.069 35 HA LYS 4 HA LYS 4 -3.540 2.007 -7.820 36 1HB LYS 4 2HB LYS 4 -5.387 3.694 -8.322 37 2HB LYS 4 1HB LYS 4 -4.214 4.942 -7.928 38 1HG LYS 4 2HG LYS 4 -2.814 4.314 -9.739 39 2HG LYS 4 1HG LYS 4 -3.751 2.849 -10.037 40 1HD LYS 4 2HD LYS 4 -5.674 4.758 -10.235 41 2HD LYS 4 1HD LYS 4 -4.266 5.625 -10.852 42 1HE LYS 4 2HE LYS 4 -4.812 2.861 -11.829 43 2HE LYS 4 1HE LYS 4 -5.786 4.194 -12.450 44 1HZ LYS 4 1HZ LYS 4 -2.860 3.812 -12.673 45 2HZ LYS 4 2HZ LYS 4 -3.590 5.312 -12.951 46 3HZ LYS 4 3HZ LYS 4 -3.993 3.985 -13.918 47 H ASP 5 H ASP 5 -2.891 4.318 -5.320 48 HA ASP 5 HA ASP 5 -0.349 5.167 -6.335 49 1HB ASP 5 2HB ASP 5 -1.604 5.411 -3.595 50 2HB ASP 5 1HB ASP 5 -0.064 6.140 -4.043 51 H VAL 6 H VAL 6 -1.383 2.931 -3.768 52 HA VAL 6 HA VAL 6 1.094 2.167 -2.823 53 HB VAL 6 HB VAL 6 -1.162 0.204 -3.102 54 1HG1 VAL 6 1HG1 VAL 6 1.044 0.711 -1.148 55 2HG1 VAL 6 2HG1 VAL 6 0.703 -0.749 -2.075 56 3HG1 VAL 6 3HG1 VAL 6 -0.347 -0.289 -0.736 57 1HG2 VAL 6 1HG2 VAL 6 -1.893 1.243 -0.832 58 2HG2 VAL 6 2HG2 VAL 6 -2.413 1.998 -2.337 59 3HG2 VAL 6 3HG2 VAL 6 -1.065 2.683 -1.429 60 H ILE 7 H ILE 7 -0.875 0.472 -5.277 61 HA ILE 7 HA ILE 7 1.048 -1.448 -5.943 62 HB ILE 7 HB ILE 7 -1.272 -0.322 -7.501 63 1HG1 ILE 7 2HG1 ILE 7 -2.054 -2.747 -7.104 64 2HG1 ILE 7 1HG1 ILE 7 -0.747 -2.835 -5.926 65 1HG2 ILE 7 1HG2 ILE 7 -0.967 -2.228 -9.067 66 2HG2 ILE 7 2HG2 ILE 7 0.600 -2.538 -8.319 67 3HG2 ILE 7 3HG2 ILE 7 0.312 -1.017 -9.165 68 1HD1 ILE 7 1HD1 ILE 7 -2.729 -0.617 -5.774 69 2HD1 ILE 7 2HD1 ILE 7 -1.760 -1.350 -4.495 70 3HD1 ILE 7 3HD1 ILE 7 -3.143 -2.218 -5.164 71 H ASP 8 H ASP 8 0.764 1.885 -6.843 72 HA ASP 8 HA ASP 8 2.454 1.724 -9.154 73 1HB ASP 8 2HB ASP 8 0.898 3.760 -7.792 74 2HB ASP 8 1HB ASP 8 2.495 4.368 -8.221 75 H HIS 9 H HIS 9 2.861 2.156 -5.738 76 HA HIS 9 HA HIS 9 5.633 2.967 -6.013 77 1HB HIS 9 2HB HIS 9 4.493 4.089 -4.256 78 2HB HIS 9 1HB HIS 9 3.803 2.591 -3.646 79 HD1 HIS 9 1HD HIS 9 6.249 4.950 -2.761 80 HD2 HIS 9 2HD HIS 9 6.157 0.795 -2.781 81 HE1 HIS 9 1HE HIS 9 8.052 4.227 -1.162 82 HE2 HIS 9 2HE HIS 9 7.915 1.714 -1.121 83 H PHE 10 H PHE 10 3.728 0.144 -5.291 84 HA PHE 10 HA PHE 10 6.060 -1.368 -4.439 85 1HB PHE 10 2HB PHE 10 3.121 -2.012 -4.581 86 2HB PHE 10 1HB PHE 10 4.333 -3.242 -4.231 87 HD1 PHE 10 1HD PHE 10 4.060 0.296 -3.114 88 HD2 PHE 10 2HD PHE 10 4.092 -3.810 -2.005 89 HE1 PHE 10 1HE PHE 10 4.018 0.943 -0.745 90 HE2 PHE 10 2HE PHE 10 4.051 -3.171 0.371 91 HZ PHE 10 HZ PHE 10 4.014 -0.789 1.004 92 H GLY 11 H GLY 11 3.644 -1.424 -7.041 93 1HA GLY 11 2HA GLY 11 4.346 -1.849 -9.312 94 2HA GLY 11 1HA GLY 11 5.596 -2.909 -8.676 95 H THR 12 H THR 12 4.011 -4.373 -6.855 96 HA THR 12 HA THR 12 2.115 -5.732 -8.653 97 HB THR 12 HB THR 12 2.868 -7.865 -7.433 98 HG1 THR 12 1HG THR 12 5.009 -7.745 -6.640 99 1HG2 THR 12 1HG2 THR 12 5.194 -7.713 -8.785 100 2HG2 THR 12 2HG2 THR 12 4.269 -6.435 -9.575 101 3HG2 THR 12 3HG2 THR 12 3.635 -8.080 -9.524 102 H GLN 13 H GLN 13 0.789 -7.400 -7.274 103 HA GLN 13 HA GLN 13 -0.470 -5.841 -5.170 104 1HB GLN 13 2HB GLN 13 -1.240 -8.430 -6.523 105 2HB GLN 13 1HB GLN 13 -2.176 -7.690 -5.233 106 1HG GLN 13 2HG GLN 13 -2.255 -5.618 -6.725 107 2HG GLN 13 1HG GLN 13 -1.705 -6.688 -8.015 108 1HE2 GLN 13 1HE2 GLN 13 -4.185 -6.451 -5.498 109 2HE2 GLN 13 2HE2 GLN 13 -5.448 -7.173 -6.429 110 H ARG 14 H ARG 14 0.881 -9.114 -5.552 111 HA ARG 14 HA ARG 14 0.577 -9.999 -2.943 112 1HB ARG 14 2HB ARG 14 1.550 -11.127 -5.155 113 2HB ARG 14 1HB ARG 14 3.079 -10.735 -4.378 114 1HG ARG 14 2HG ARG 14 2.863 -12.372 -2.877 115 2HG ARG 14 1HG ARG 14 1.164 -12.005 -2.583 116 1HD ARG 14 2HD ARG 14 0.539 -13.206 -4.607 117 2HD ARG 14 1HD ARG 14 2.236 -13.537 -4.950 118 HE ARG 14 HE ARG 14 1.416 -14.493 -2.380 119 1HH1 ARG 14 1HH1 ARG 14 1.459 -15.235 -5.790 120 2HH1 ARG 14 2HH1 ARG 14 1.376 -16.947 -5.547 121 1HH2 ARG 14 1HH2 ARG 14 1.309 -16.744 -2.057 122 2HH2 ARG 14 2HH2 ARG 14 1.293 -17.804 -3.427 123 H ALA 15 H ALA 15 2.929 -7.805 -4.297 124 HA ALA 15 HA ALA 15 4.852 -7.887 -2.251 125 1HB ALA 15 1HB ALA 15 4.155 -5.458 -3.886 126 2HB ALA 15 2HB ALA 15 5.101 -6.809 -4.510 127 3HB ALA 15 3HB ALA 15 5.706 -5.861 -3.151 128 H VAL 16 H VAL 16 1.992 -5.831 -2.679 129 HA VAL 16 HA VAL 16 2.350 -4.222 -0.422 130 HB VAL 16 HB VAL 16 -0.444 -4.911 -1.143 131 1HG1 VAL 16 1HG1 VAL 16 -0.376 -2.313 -1.304 132 2HG1 VAL 16 2HG1 VAL 16 1.169 -2.499 -0.478 133 3HG1 VAL 16 3HG1 VAL 16 -0.310 -3.105 0.268 134 1HG2 VAL 16 1HG2 VAL 16 1.554 -3.939 -3.128 135 2HG2 VAL 16 2HG2 VAL 16 -0.065 -3.239 -3.151 136 3HG2 VAL 16 3HG2 VAL 16 0.148 -4.978 -3.357 137 H ALA 17 H ALA 17 0.768 -7.350 -0.828 138 HA ALA 17 HA ALA 17 -0.364 -7.506 1.752 139 1HB ALA 17 1HB ALA 17 -0.461 -9.038 -0.524 140 2HB ALA 17 2HB ALA 17 -1.187 -9.454 1.028 141 3HB ALA 17 3HB ALA 17 0.411 -10.073 0.606 142 H LYS 18 H LYS 18 2.838 -8.124 0.535 143 HA LYS 18 HA LYS 18 3.668 -9.466 2.979 144 1HB LYS 18 2HB LYS 18 4.866 -8.990 0.299 145 2HB LYS 18 1HB LYS 18 5.969 -9.199 1.653 146 1HG LYS 18 2HG LYS 18 3.803 -11.187 1.435 147 2HG LYS 18 1HG LYS 18 5.028 -11.223 0.165 148 1HD LYS 18 2HD LYS 18 6.745 -11.192 2.050 149 2HD LYS 18 1HD LYS 18 5.397 -11.557 3.130 150 1HE LYS 18 2HE LYS 18 5.185 -13.679 2.367 151 2HE LYS 18 1HE LYS 18 5.636 -13.246 0.719 152 1HZ LYS 18 1HZ LYS 18 7.210 -14.620 2.354 153 2HZ LYS 18 2HZ LYS 18 7.745 -13.055 2.709 154 3HZ LYS 18 3HZ LYS 18 7.804 -13.627 1.118 155 H ALA 19 H ALA 19 2.903 -6.475 2.664 156 HA ALA 19 HA ALA 19 5.367 -5.361 3.830 157 1HB ALA 19 1HB ALA 19 4.017 -3.147 3.286 158 2HB ALA 19 2HB ALA 19 3.256 -4.201 2.095 159 3HB ALA 19 3HB ALA 19 5.003 -3.959 2.071 160 H LEU 20 H LEU 20 1.845 -5.490 4.158 161 HA LEU 20 HA LEU 20 2.039 -4.312 6.830 162 1HB LEU 20 2HB LEU 20 -0.514 -5.101 5.469 163 2HB LEU 20 1HB LEU 20 -0.267 -3.900 6.721 164 HG LEU 20 HG LEU 20 1.263 -2.957 4.607 165 1HD1 LEU 20 1HD1 LEU 20 0.072 -3.127 2.627 166 2HD1 LEU 20 2HD1 LEU 20 -1.399 -3.661 3.439 167 3HD1 LEU 20 3HD1 LEU 20 -0.029 -4.760 3.286 168 1HD2 LEU 20 1HD2 LEU 20 0.007 -1.105 4.887 169 2HD2 LEU 20 2HD2 LEU 20 -0.598 -1.986 6.291 170 3HD2 LEU 20 3HD2 LEU 20 -1.515 -1.990 4.785 171 H GLY 21 H GLY 21 1.320 -7.303 5.187 172 1HA GLY 21 2HA GLY 21 1.769 -9.357 6.434 173 2HA GLY 21 1HA GLY 21 1.012 -8.595 7.826 174 H ILE 22 H ILE 22 -0.328 -8.280 4.624 175 HA ILE 22 HA ILE 22 -2.561 -10.020 5.449 176 HB ILE 22 HB ILE 22 -3.987 -8.688 3.934 177 1HG1 ILE 22 2HG1 ILE 22 -1.560 -6.889 3.721 178 2HG1 ILE 22 1HG1 ILE 22 -2.207 -7.890 2.423 179 1HG2 ILE 22 1HG2 ILE 22 -4.373 -7.887 6.007 180 2HG2 ILE 22 2HG2 ILE 22 -3.570 -6.451 5.373 181 3HG2 ILE 22 3HG2 ILE 22 -2.663 -7.616 6.339 182 1HD1 ILE 22 1HD1 ILE 22 -4.091 -6.001 3.676 183 2HD1 ILE 22 2HD1 ILE 22 -3.892 -6.461 1.986 184 3HD1 ILE 22 3HD1 ILE 22 -2.785 -5.300 2.720 185 H SER 23 H SER 23 -3.890 -10.561 3.279 186 HA SER 23 HA SER 23 -1.978 -12.017 1.610 187 1HB SER 23 2HB SER 23 -4.124 -13.184 0.810 188 2HB SER 23 1HB SER 23 -3.617 -13.482 2.473 189 HG SER 23 HG SER 23 -5.784 -13.008 2.511 190 H ASP 24 H ASP 24 -2.545 -12.243 -0.732 191 HA ASP 24 HA ASP 24 -2.571 -9.738 -1.983 192 1HB ASP 24 2HB ASP 24 -2.983 -11.098 -4.093 193 2HB ASP 24 1HB ASP 24 -1.562 -11.541 -3.152 194 H ALA 25 H ALA 25 -5.156 -11.935 -1.155 195 HA ALA 25 HA ALA 25 -7.175 -10.926 -2.818 196 1HB ALA 25 1HB ALA 25 -7.973 -11.825 -0.122 197 2HB ALA 25 2HB ALA 25 -7.041 -12.972 -1.083 198 3HB ALA 25 3HB ALA 25 -8.558 -12.327 -1.708 199 H ALA 26 H ALA 26 -6.235 -10.015 0.486 200 HA ALA 26 HA ALA 26 -8.224 -8.103 0.935 201 1HB ALA 26 1HB ALA 26 -7.151 -8.535 2.882 202 2HB ALA 26 2HB ALA 26 -6.228 -7.107 2.414 203 3HB ALA 26 3HB ALA 26 -5.580 -8.718 2.104 204 H VAL 27 H VAL 27 -5.103 -7.853 -0.675 205 HA VAL 27 HA VAL 27 -5.122 -5.018 -0.926 206 HB VAL 27 HB VAL 27 -3.625 -7.049 -2.591 207 1HG1 VAL 27 1HG1 VAL 27 -3.110 -4.106 -2.167 208 2HG1 VAL 27 2HG1 VAL 27 -3.749 -4.840 -3.638 209 3HG1 VAL 27 3HG1 VAL 27 -2.109 -5.211 -3.107 210 1HG2 VAL 27 1HG2 VAL 27 -1.729 -6.495 -1.068 211 2HG2 VAL 27 2HG2 VAL 27 -3.054 -7.354 -0.285 212 3HG2 VAL 27 3HG2 VAL 27 -2.868 -5.617 -0.048 213 H SER 28 H SER 28 -6.185 -7.678 -2.987 214 HA SER 28 HA SER 28 -6.761 -6.080 -5.260 215 1HB SER 28 2HB SER 28 -7.958 -8.758 -4.514 216 2HB SER 28 1HB SER 28 -7.914 -8.038 -6.122 217 HG SER 28 HG SER 28 -5.637 -8.749 -4.583 218 H GLN 29 H GLN 29 -8.521 -6.878 -2.364 219 HA GLN 29 HA GLN 29 -11.070 -6.034 -3.374 220 1HB GLN 29 2HB GLN 29 -10.030 -7.227 -0.930 221 2HB GLN 29 1HB GLN 29 -11.240 -5.992 -0.602 222 1HG GLN 29 2HG GLN 29 -12.920 -7.204 -1.491 223 2HG GLN 29 1HG GLN 29 -11.890 -7.947 -2.713 224 1HE2 GLN 29 1HE2 GLN 29 -11.250 -9.970 -2.407 225 2HE2 GLN 29 2HE2 GLN 29 -11.410 -10.862 -0.936 226 H TRP 30 H TRP 30 -8.333 -4.442 -2.109 227 HA TRP 30 HA TRP 30 -9.375 -2.290 -0.724 228 1HB TRP 30 2HB TRP 30 -6.958 -2.594 -2.480 229 2HB TRP 30 1HB TRP 30 -7.352 -1.032 -1.770 230 HD1 TRP 30 HD TRP 30 -8.419 -3.243 0.819 231 HE1 TRP 30 1HE TRP 30 -6.583 -3.665 2.572 232 HE3 TRP 30 3HE TRP 30 -4.376 -1.566 -1.823 233 HZ2 TRP 30 2HZ TRP 30 -3.789 -3.334 2.803 234 HZ3 TRP 30 3HZ TRP 30 -2.158 -1.652 -0.764 235 HH2 TRP 30 HH TRP 30 -1.871 -2.519 1.501 236 H LYS 31 H LYS 31 -10.670 -0.669 -1.237 237 HA LYS 31 HA LYS 31 -11.440 -0.274 -4.009 238 1HB LYS 31 2HB LYS 31 -13.240 1.068 -3.146 239 2HB LYS 31 1HB LYS 31 -13.140 -0.399 -2.184 240 1HG LYS 31 2HG LYS 31 -11.580 1.212 -0.710 241 2HG LYS 31 1HG LYS 31 -12.670 2.409 -1.422 242 1HD LYS 31 2HD LYS 31 -14.600 1.183 -0.598 243 2HD LYS 31 1HD LYS 31 -13.540 -0.070 0.061 244 1HE LYS 31 2HE LYS 31 -13.160 2.773 0.891 245 2HE LYS 31 1HE LYS 31 -14.470 1.830 1.602 246 1HZ LYS 31 1HZ LYS 31 -11.620 0.983 1.591 247 2HZ LYS 31 2HZ LYS 31 -12.900 0.238 2.409 248 3HZ LYS 31 3HZ LYS 31 -12.370 1.771 2.887 249 H GLU 32 H GLU 32 -12.140 2.440 -3.945 250 HA GLU 32 HA GLU 32 -9.898 3.698 -4.895 251 1HB GLU 32 2HB GLU 32 -12.580 4.465 -4.192 252 2HB GLU 32 1HB GLU 32 -11.460 5.737 -3.729 253 1HG GLU 32 2HG GLU 32 -10.600 5.864 -5.980 254 2HG GLU 32 1HG GLU 32 -11.610 4.504 -6.469 255 H VAL 33 H VAL 33 -10.880 3.280 -1.586 256 HA VAL 33 HA VAL 33 -8.438 4.672 -0.730 257 HB VAL 33 HB VAL 33 -11.030 4.752 0.807 258 1HG1 VAL 33 1HG1 VAL 33 -9.171 4.971 2.269 259 2HG1 VAL 33 2HG1 VAL 33 -9.827 6.590 2.023 260 3HG1 VAL 33 3HG1 VAL 33 -8.364 6.096 1.174 261 1HG2 VAL 33 1HG2 VAL 33 -11.250 7.065 0.104 262 2HG2 VAL 33 2HG2 VAL 33 -11.220 6.002 -1.303 263 3HG2 VAL 33 3HG2 VAL 33 -9.790 6.929 -0.871 264 H ILE 34 H ILE 34 -7.122 3.334 0.305 265 HA ILE 34 HA ILE 34 -7.928 0.725 1.114 266 HB ILE 34 HB ILE 34 -5.617 0.604 2.119 267 1HG1 ILE 34 2HG1 ILE 34 -5.235 3.283 0.772 268 2HG1 ILE 34 1HG1 ILE 34 -5.469 3.097 2.508 269 1HG2 ILE 34 1HG2 ILE 34 -4.538 0.385 0.011 270 2HG2 ILE 34 2HG2 ILE 34 -5.657 1.517 -0.749 271 3HG2 ILE 34 3HG2 ILE 34 -6.227 -0.066 -0.214 272 1HD1 ILE 34 1HD1 ILE 34 -3.444 1.777 2.659 273 2HD1 ILE 34 2HD1 ILE 34 -3.114 3.338 1.909 274 3HD1 ILE 34 3HD1 ILE 34 -3.224 1.886 0.913 275 HA PRO 35 HA PRO 35 -9.236 0.981 5.300 276 1HB PRO 35 2HB PRO 35 -6.848 -0.660 6.030 277 2HB PRO 35 1HB PRO 35 -8.549 -0.900 6.448 278 1HG PRO 35 2HG PRO 35 -7.412 -2.379 4.558 279 2HG PRO 35 1HG PRO 35 -9.072 -1.788 4.367 280 1HD PRO 35 2HD PRO 35 -6.561 -0.839 3.070 281 2HD PRO 35 1HD PRO 35 -8.211 -0.911 2.420 282 H GLU 36 H GLU 36 -8.745 1.906 7.347 283 HA GLU 36 HA GLU 36 -6.932 4.081 7.231 284 1HB GLU 36 2HB GLU 36 -8.995 4.235 8.500 285 2HB GLU 36 1HB GLU 36 -8.486 2.917 9.547 286 1HG GLU 36 2HG GLU 36 -6.504 4.428 10.152 287 2HG GLU 36 1HG GLU 36 -7.451 5.723 9.424 288 H LYS 37 H LYS 37 -6.720 0.845 8.509 289 HA LYS 37 HA LYS 37 -4.276 1.436 9.971 290 1HB LYS 37 2HB LYS 37 -5.793 -1.150 9.591 291 2HB LYS 37 1HB LYS 37 -4.361 -0.968 10.596 292 1HG LYS 37 2HG LYS 37 -5.882 -0.684 12.225 293 2HG LYS 37 1HG LYS 37 -5.896 0.978 11.632 294 1HD LYS 37 2HD LYS 37 -8.166 0.247 11.848 295 2HD LYS 37 1HD LYS 37 -7.786 0.346 10.126 296 1HE LYS 37 2HE LYS 37 -8.684 -1.714 10.052 297 2HE LYS 37 1HE LYS 37 -7.106 -2.221 10.653 298 1HZ LYS 37 1HZ LYS 37 -8.361 -3.182 12.235 299 2HZ LYS 37 2HZ LYS 37 -9.666 -2.129 12.019 300 3HZ LYS 37 3HZ LYS 37 -8.332 -1.642 12.936 301 H ASP 38 H ASP 38 -5.224 0.206 6.888 302 HA ASP 38 HA ASP 38 -2.740 -1.159 6.379 303 1HB ASP 38 2HB ASP 38 -5.237 -0.611 4.855 304 2HB ASP 38 1HB ASP 38 -3.776 -0.915 3.920 305 H ALA 39 H ALA 39 -4.230 1.907 5.410 306 HA ALA 39 HA ALA 39 -2.113 2.767 3.747 307 1HB ALA 39 1HB ALA 39 -3.361 4.614 3.412 308 2HB ALA 39 2HB ALA 39 -3.667 4.849 5.132 309 3HB ALA 39 3HB ALA 39 -4.612 3.671 4.221 310 H TYR 40 H TYR 40 -2.549 2.736 7.182 311 HA TYR 40 HA TYR 40 -0.731 4.794 7.866 312 1HB TYR 40 2HB TYR 40 -2.367 3.946 9.464 313 2HB TYR 40 1HB TYR 40 -1.604 2.355 9.432 314 HD1 TYR 40 1HD TYR 40 -0.094 1.834 11.097 315 HD2 TYR 40 2HD TYR 40 -0.750 5.926 10.137 316 HE1 TYR 40 1HE TYR 40 1.381 2.499 12.951 317 HE2 TYR 40 2HE TYR 40 0.722 6.604 11.985 318 HH TYR 40 HH TYR 40 1.570 5.706 14.088 319 H ARG 41 H ARG 41 -0.316 1.249 7.986 320 HA ARG 41 HA ARG 41 2.415 1.254 8.543 321 1HB ARG 41 2HB ARG 41 0.874 -0.812 6.964 322 2HB ARG 41 1HB ARG 41 2.422 -1.061 7.759 323 1HG ARG 41 2HG ARG 41 1.464 -0.922 9.902 324 2HG ARG 41 1HG ARG 41 -0.040 -0.251 9.270 325 1HD ARG 41 2HD ARG 41 0.668 -2.849 8.131 326 2HD ARG 41 1HD ARG 41 0.398 -2.886 9.872 327 HE ARG 41 HE ARG 41 -1.686 -1.457 8.632 328 1HH1 ARG 41 1HH1 ARG 41 -0.471 -4.713 8.949 329 2HH1 ARG 41 2HH1 ARG 41 -2.026 -5.447 8.740 330 1HH2 ARG 41 1HH2 ARG 41 -3.731 -2.420 8.358 331 2HH2 ARG 41 2HH2 ARG 41 -3.876 -4.146 8.405 332 H LEU 42 H LEU 42 0.705 1.419 5.471 333 HA LEU 42 HA LEU 42 2.782 0.948 3.702 334 1HB LEU 42 2HB LEU 42 0.303 2.613 3.569 335 2HB LEU 42 1HB LEU 42 1.463 2.696 2.257 336 HG LEU 42 HG LEU 42 0.124 0.163 3.206 337 1HD1 LEU 42 1HD1 LEU 42 -0.434 1.273 0.534 338 2HD1 LEU 42 2HD1 LEU 42 -1.134 2.144 1.897 339 3HD1 LEU 42 3HD1 LEU 42 -1.496 0.434 1.662 340 1HD2 LEU 42 1HD2 LEU 42 2.005 0.771 0.938 341 2HD2 LEU 42 2HD2 LEU 42 1.009 -0.683 1.003 342 3HD2 LEU 42 3HD2 LEU 42 2.220 -0.386 2.251 343 H GLU 43 H GLU 43 1.742 4.088 5.033 344 HA GLU 43 HA GLU 43 3.568 5.743 3.814 345 1HB GLU 43 2HB GLU 43 1.735 6.545 5.235 346 2HB GLU 43 1HB GLU 43 2.565 5.928 6.660 347 1HG GLU 43 2HG GLU 43 4.425 7.480 6.210 348 2HG GLU 43 1HG GLU 43 3.518 8.132 4.846 349 H ILE 44 H ILE 44 4.088 3.501 6.432 350 HA ILE 44 HA ILE 44 6.749 4.531 6.990 351 HB ILE 44 HB ILE 44 5.414 2.074 8.121 352 1HG1 ILE 44 2HG1 ILE 44 5.217 4.969 8.801 353 2HG1 ILE 44 1HG1 ILE 44 3.996 3.707 8.909 354 1HG2 ILE 44 1HG2 ILE 44 7.856 2.108 8.317 355 2HG2 ILE 44 2HG2 ILE 44 7.076 2.265 9.890 356 3HG2 ILE 44 3HG2 ILE 44 7.769 3.682 9.105 357 1HD1 ILE 44 1HD1 ILE 44 6.297 4.112 10.804 358 2HD1 ILE 44 2HD1 ILE 44 5.083 2.839 10.917 359 3HD1 ILE 44 3HD1 ILE 44 4.609 4.528 11.104 360 H VAL 45 H VAL 45 5.251 1.610 5.652 361 HA VAL 45 HA VAL 45 7.635 0.205 5.160 362 HB VAL 45 HB VAL 45 5.087 -0.067 3.636 363 1HG1 VAL 45 1HG1 VAL 45 6.741 -1.311 2.543 364 2HG1 VAL 45 2HG1 VAL 45 5.883 -2.482 3.544 365 3HG1 VAL 45 3HG1 VAL 45 7.448 -1.856 4.063 366 1HG2 VAL 45 1HG2 VAL 45 5.193 -2.057 5.585 367 2HG2 VAL 45 2HG2 VAL 45 4.103 -0.674 5.536 368 3HG2 VAL 45 3HG2 VAL 45 5.627 -0.564 6.417 369 H THR 46 H THR 46 6.144 2.823 3.501 370 HA THR 46 HA THR 46 7.593 2.313 1.033 371 HB THR 46 HB THR 46 6.429 4.495 0.367 372 HG1 THR 46 1HG THR 46 4.677 5.066 1.664 373 1HG2 THR 46 1HG2 THR 46 4.070 3.199 0.636 374 2HG2 THR 46 2HG2 THR 46 5.217 1.868 0.781 375 3HG2 THR 46 3HG2 THR 46 5.240 2.901 -0.649 376 H ALA 47 H ALA 47 8.930 3.054 3.633 377 HA ALA 47 HA ALA 47 10.648 4.351 4.365 378 1HB ALA 47 1HB ALA 47 11.998 5.452 2.452 379 2HB ALA 47 2HB ALA 47 10.910 4.558 1.391 380 3HB ALA 47 3HB ALA 47 11.924 3.693 2.544 381 H GLY 48 H GLY 48 7.986 5.538 4.191 382 1HA GLY 48 2HA GLY 48 7.077 7.588 4.716 383 2HA GLY 48 1HA GLY 48 8.709 8.238 4.757 384 H ALA 49 H ALA 49 7.548 6.611 1.916 385 HA ALA 49 HA ALA 49 8.022 8.916 0.298 386 1HB ALA 49 1HB ALA 49 6.652 6.357 -0.511 387 2HB ALA 49 2HB ALA 49 8.402 6.565 -0.443 388 3HB ALA 49 3HB ALA 49 7.442 7.529 -1.565 389 H LEU 50 H LEU 50 5.077 7.041 1.027 390 HA LEU 50 HA LEU 50 3.382 9.048 -0.157 391 1HB LEU 50 2HB LEU 50 2.696 6.605 1.481 392 2HB LEU 50 1HB LEU 50 1.536 7.610 0.632 393 HG LEU 50 HG LEU 50 3.760 6.125 -0.760 394 1HD1 LEU 50 1HD1 LEU 50 1.662 4.711 -1.479 395 2HD1 LEU 50 2HD1 LEU 50 1.047 5.246 0.086 396 3HD1 LEU 50 3HD1 LEU 50 2.555 4.335 -0.006 397 1HD2 LEU 50 1HD2 LEU 50 1.240 6.877 -2.103 398 2HD2 LEU 50 2HD2 LEU 50 2.896 6.876 -2.710 399 3HD2 LEU 50 3HD2 LEU 50 2.333 8.198 -1.686 400 H LYS 51 H LYS 51 1.514 9.944 1.103 401 HA LYS 51 HA LYS 51 2.338 10.634 3.848 402 1HB LYS 51 2HB LYS 51 2.619 12.486 2.150 403 2HB LYS 51 1HB LYS 51 0.871 12.480 1.963 404 1HG LYS 51 2HG LYS 51 1.393 14.224 3.464 405 2HG LYS 51 1HG LYS 51 0.708 12.917 4.431 406 1HD LYS 51 2HD LYS 51 3.110 12.183 4.852 407 2HD LYS 51 1HD LYS 51 3.589 13.744 4.182 408 1HE LYS 51 2HE LYS 51 1.677 14.481 5.975 409 2HE LYS 51 1HE LYS 51 2.396 13.088 6.781 410 1HZ LYS 51 1HZ LYS 51 4.207 15.078 5.638 411 2HZ LYS 51 2HZ LYS 51 4.374 14.141 7.036 412 3HZ LYS 51 3HZ LYS 51 3.371 15.503 7.047 413 H TYR 52 H TYR 52 0.934 9.975 5.323 414 HA TYR 52 HA TYR 52 -1.685 9.052 4.576 415 1HB TYR 52 2HB TYR 52 -0.186 7.997 6.338 416 2HB TYR 52 1HB TYR 52 -0.604 9.354 7.380 417 HD1 TYR 52 1HD TYR 52 -3.237 9.779 7.572 418 HD2 TYR 52 2HD TYR 52 -1.429 6.069 6.539 419 HE1 TYR 52 1HE TYR 52 -5.260 8.597 8.304 420 HE2 TYR 52 2HE TYR 52 -3.452 4.876 7.267 421 HH TYR 52 HH TYR 52 -5.362 5.190 8.690 422 H GLN 53 H GLN 53 -3.460 10.242 4.494 423 HA GLN 53 HA GLN 53 -3.533 12.767 6.009 424 1HB GLN 53 2HB GLN 53 -5.206 12.124 3.585 425 2HB GLN 53 1HB GLN 53 -4.935 13.695 4.326 426 1HG GLN 53 2HG GLN 53 -2.444 12.492 3.522 427 2HG GLN 53 1HG GLN 53 -3.574 12.584 2.171 428 1HE2 GLN 53 1HE2 GLN 53 -1.262 14.219 3.905 429 2HE2 GLN 53 2HE2 GLN 53 -1.610 15.827 3.377 430 H GLU 54 H GLU 54 -5.035 12.998 7.542 431 HA GLU 54 HA GLU 54 -6.942 10.839 7.950 432 1HB GLU 54 2HB GLU 54 -5.639 12.857 9.622 433 2HB GLU 54 1HB GLU 54 -7.341 12.634 10.004 434 1HG GLU 54 2HG GLU 54 -7.044 10.491 10.727 435 2HG GLU 54 1HG GLU 54 -5.639 10.220 9.696 436 H ASN 55 H ASN 55 -7.469 12.514 5.714 437 HA ASN 55 HA ASN 55 -9.639 14.270 6.528 438 1HB ASN 55 2HB ASN 55 -9.767 14.859 4.139 439 2HB ASN 55 1HB ASN 55 -8.131 15.044 4.763 440 1HD2 ASN 55 1HD2 ASN 55 -10.240 12.982 2.872 441 2HD2 ASN 55 2HD2 ASN 55 -8.993 12.208 1.969 442 H ALA 56 H ALA 56 -9.117 11.163 5.024 443 HA ALA 56 HA ALA 56 -12.000 10.842 4.601 444 1HB ALA 56 1HB ALA 56 -10.100 10.315 2.843 445 2HB ALA 56 2HB ALA 56 -11.550 9.316 2.959 446 3HB ALA 56 3HB ALA 56 -10.050 8.781 3.711 447 H TYR 57 H TYR 57 -9.370 9.792 6.576 448 HA TYR 57 HA TYR 57 -10.870 7.520 7.625 449 1HB TYR 57 2HB TYR 57 -8.179 8.433 8.609 450 2HB TYR 57 1HB TYR 57 -8.885 6.823 8.673 451 HD1 TYR 57 1HD TYR 57 -6.638 8.929 6.950 452 HD2 TYR 57 2HD TYR 57 -9.340 5.695 6.355 453 HE1 TYR 57 1HE TYR 57 -5.465 8.339 4.870 454 HE2 TYR 57 2HE TYR 57 -8.173 5.096 4.275 455 HH TYR 57 HH TYR 57 -5.931 5.402 3.267 456 H ARG 58 H ARG 58 -11.460 10.506 8.078 457 HA ARG 58 HA ARG 58 -11.240 10.606 10.994 458 1HB ARG 58 2HB ARG 58 -12.120 12.958 10.668 459 2HB ARG 58 1HB ARG 58 -10.530 12.632 9.995 460 1HG ARG 58 2HG ARG 58 -11.200 13.156 7.944 461 2HG ARG 58 1HG ARG 58 -12.610 12.111 8.063 462 1HD ARG 58 2HD ARG 58 -13.060 14.381 9.707 463 2HD ARG 58 1HD ARG 58 -12.480 14.952 8.145 464 HE ARG 58 HE ARG 58 -14.490 12.989 7.803 465 1HH1 ARG 58 1HH1 ARG 58 -14.040 16.330 8.702 466 2HH1 ARG 58 2HH1 ARG 58 -15.620 16.813 8.175 467 1HH2 ARG 58 1HH2 ARG 58 -16.560 13.622 7.109 468 2HH2 ARG 58 2HH2 ARG 58 -17.050 15.276 7.271 469 H GLN 59 H GLN 59 -12.960 8.667 10.158 470 HA GLN 59 HA GLN 59 -15.590 9.817 10.818 471 1HB GLN 59 2HB GLN 59 -15.300 8.969 8.427 472 2HB GLN 59 1HB GLN 59 -15.200 7.357 9.121 473 1HG GLN 59 2HG GLN 59 -17.410 7.300 9.670 474 2HG GLN 59 1HG GLN 59 -17.510 9.047 9.890 475 1HE2 GLN 59 1HE2 GLN 59 -16.610 6.878 7.224 476 2HE2 GLN 59 2HE2 GLN 59 -17.650 7.606 6.053 477 H ALA 60 H ALA 60 -13.570 8.770 12.616 478 HA ALA 60 HA ALA 60 -15.220 6.744 13.921 479 1HB ALA 60 1HB ALA 60 -13.130 5.866 12.464 480 2HB ALA 60 2HB ALA 60 -13.710 5.063 13.921 481 3HB ALA 60 3HB ALA 60 -12.330 6.153 14.010 482 H ALA 61 H ALA 61 -14.690 9.543 14.438 483 HA ALA 61 HA ALA 61 -13.770 9.275 17.189 484 1HB ALA 61 1HB ALA 61 -12.440 11.461 16.836 485 2HB ALA 61 2HB ALA 61 -12.440 10.998 15.135 486 3HB ALA 61 3HB ALA 61 -11.720 9.931 16.335 Start of MODEL 15 1 1H MET 1 1HT MET 1 -5.836 6.839 1.571 2 2H MET 1 2HT MET 1 -5.878 8.084 0.392 3 3H MET 1 3HT MET 1 -4.756 8.165 1.688 4 HA MET 1 HA MET 1 -3.611 7.511 -0.228 5 1HB MET 1 2HB MET 1 -4.162 5.167 1.602 6 2HB MET 1 1HB MET 1 -2.765 5.326 0.548 7 1HG MET 1 2HG MET 1 -3.434 7.206 2.798 8 2HG MET 1 1HG MET 1 -2.296 5.865 2.909 9 1HE MET 1 1HE MET 1 0.618 7.950 2.802 10 2HE MET 1 2HE MET 1 0.511 6.350 2.066 11 3HE MET 1 3HE MET 1 -0.397 6.707 3.536 12 H TYR 2 H TYR 2 -4.414 7.331 -2.249 13 HA TYR 2 HA TYR 2 -6.490 5.496 -2.946 14 1HB TYR 2 2HB TYR 2 -4.868 7.538 -4.328 15 2HB TYR 2 1HB TYR 2 -5.405 6.201 -5.342 16 HD1 TYR 2 1HD TYR 2 -7.052 8.043 -2.537 17 HD2 TYR 2 2HD TYR 2 -7.180 6.916 -6.637 18 HE1 TYR 2 1HE TYR 2 -9.261 9.101 -2.753 19 HE2 TYR 2 2HE TYR 2 -9.388 7.973 -6.865 20 HH TYR 2 HH TYR 2 -10.750 9.642 -5.792 21 H LYS 3 H LYS 3 -6.321 3.420 -3.469 22 HA LYS 3 HA LYS 3 -4.004 1.928 -3.241 23 1HB LYS 3 2HB LYS 3 -6.310 1.009 -3.206 24 2HB LYS 3 1HB LYS 3 -6.411 1.253 -4.945 25 1HG LYS 3 2HG LYS 3 -4.793 -0.398 -5.378 26 2HG LYS 3 1HG LYS 3 -4.285 -0.453 -3.688 27 1HD LYS 3 2HD LYS 3 -5.632 -2.253 -3.584 28 2HD LYS 3 1HD LYS 3 -6.923 -1.056 -3.462 29 1HE LYS 3 2HE LYS 3 -7.058 -1.126 -5.980 30 2HE LYS 3 1HE LYS 3 -5.984 -2.522 -5.917 31 1HZ LYS 3 1HZ LYS 3 -7.584 -3.825 -4.949 32 2HZ LYS 3 2HZ LYS 3 -8.539 -2.856 -5.954 33 3HZ LYS 3 3HZ LYS 3 -8.438 -2.517 -4.299 34 H LYS 4 H LYS 4 -5.217 3.711 -5.973 35 HA LYS 4 HA LYS 4 -3.840 2.482 -8.062 36 1HB LYS 4 2HB LYS 4 -5.594 4.308 -8.217 37 2HB LYS 4 1HB LYS 4 -4.315 5.453 -7.832 38 1HG LYS 4 2HG LYS 4 -3.260 5.165 -9.856 39 2HG LYS 4 1HG LYS 4 -3.953 3.562 -10.108 40 1HD LYS 4 2HD LYS 4 -5.625 4.434 -11.287 41 2HD LYS 4 1HD LYS 4 -6.066 5.482 -9.938 42 1HE LYS 4 2HE LYS 4 -5.600 7.062 -11.521 43 2HE LYS 4 1HE LYS 4 -4.001 6.880 -10.799 44 1HZ LYS 4 1HZ LYS 4 -3.748 6.818 -13.141 45 2HZ LYS 4 2HZ LYS 4 -4.982 5.675 -13.326 46 3HZ LYS 4 3HZ LYS 4 -3.524 5.233 -12.590 47 H ASP 5 H ASP 5 -2.808 5.072 -5.871 48 HA ASP 5 HA ASP 5 -0.253 5.419 -7.073 49 1HB ASP 5 2HB ASP 5 -1.678 6.904 -5.349 50 2HB ASP 5 1HB ASP 5 -0.619 6.090 -4.200 51 H VAL 6 H VAL 6 -1.389 3.629 -4.226 52 HA VAL 6 HA VAL 6 1.055 2.726 -3.283 53 HB VAL 6 HB VAL 6 -1.408 1.010 -3.196 54 1HG1 VAL 6 1HG1 VAL 6 0.999 1.472 -1.510 55 2HG1 VAL 6 2HG1 VAL 6 0.305 -0.043 -2.084 56 3HG1 VAL 6 3HG1 VAL 6 -0.477 0.848 -0.779 57 1HG2 VAL 6 1HG2 VAL 6 -1.908 2.404 -1.062 58 2HG2 VAL 6 2HG2 VAL 6 -2.423 3.018 -2.633 59 3HG2 VAL 6 3HG2 VAL 6 -0.967 3.658 -1.873 60 H ILE 7 H ILE 7 -1.219 1.090 -5.487 61 HA ILE 7 HA ILE 7 0.281 -1.199 -5.975 62 HB ILE 7 HB ILE 7 -1.661 0.254 -7.772 63 1HG1 ILE 7 2HG1 ILE 7 -1.946 -2.200 -6.025 64 2HG1 ILE 7 1HG1 ILE 7 -2.599 -0.603 -5.674 65 1HG2 ILE 7 1HG2 ILE 7 -0.429 -2.476 -8.113 66 2HG2 ILE 7 2HG2 ILE 7 -0.245 -1.084 -9.181 67 3HG2 ILE 7 3HG2 ILE 7 -1.812 -1.876 -9.031 68 1HD1 ILE 7 1HD1 ILE 7 -4.126 -2.441 -6.670 69 2HD1 ILE 7 2HD1 ILE 7 -3.363 -1.997 -8.197 70 3HD1 ILE 7 3HD1 ILE 7 -4.248 -0.786 -7.268 71 H ASP 8 H ASP 8 0.618 2.027 -7.257 72 HA ASP 8 HA ASP 8 2.368 1.276 -9.405 73 1HB ASP 8 2HB ASP 8 0.898 3.551 -8.757 74 2HB ASP 8 1HB ASP 8 2.573 4.055 -8.556 75 H HIS 9 H HIS 9 2.678 2.208 -6.069 76 HA HIS 9 HA HIS 9 5.528 2.631 -6.244 77 1HB HIS 9 2HB HIS 9 4.327 3.988 -4.658 78 2HB HIS 9 1HB HIS 9 3.612 2.565 -3.906 79 HD1 HIS 9 1HD HIS 9 6.852 4.460 -4.137 80 HD2 HIS 9 2HD HIS 9 5.180 1.318 -1.993 81 HE1 HIS 9 1HE HIS 9 8.465 3.989 -2.266 82 HE2 HIS 9 2HE HIS 9 7.475 2.028 -1.034 83 H PHE 10 H PHE 10 3.298 0.111 -5.343 84 HA PHE 10 HA PHE 10 5.413 -1.588 -4.292 85 1HB PHE 10 2HB PHE 10 2.424 -1.768 -4.426 86 2HB PHE 10 1HB PHE 10 3.379 -3.217 -4.126 87 HD1 PHE 10 1HD PHE 10 4.751 -3.399 -2.110 88 HD2 PHE 10 2HD PHE 10 2.172 -0.083 -2.763 89 HE1 PHE 10 1HE PHE 10 4.907 -2.815 0.276 90 HE2 PHE 10 2HE PHE 10 2.317 0.509 -0.379 91 HZ PHE 10 HZ PHE 10 3.687 -0.858 1.144 92 H GLY 11 H GLY 11 3.494 -1.178 -7.173 93 1HA GLY 11 2HA GLY 11 4.127 -1.986 -9.295 94 2HA GLY 11 1HA GLY 11 5.138 -3.190 -8.509 95 H THR 12 H THR 12 3.339 -4.367 -6.782 96 HA THR 12 HA THR 12 1.065 -5.239 -8.386 97 HB THR 12 HB THR 12 1.868 -7.667 -7.561 98 HG1 THR 12 1HG THR 12 4.284 -6.322 -8.179 99 1HG2 THR 12 1HG2 THR 12 2.604 -8.159 -9.745 100 2HG2 THR 12 2HG2 THR 12 3.047 -6.479 -10.051 101 3HG2 THR 12 3HG2 THR 12 1.348 -6.930 -9.905 102 H GLN 13 H GLN 13 -0.015 -7.168 -6.971 103 HA GLN 13 HA GLN 13 -0.830 -5.868 -4.554 104 1HB GLN 13 2HB GLN 13 -1.533 -8.559 -5.733 105 2HB GLN 13 1HB GLN 13 -2.261 -7.912 -4.270 106 1HG GLN 13 2HG GLN 13 -3.354 -6.203 -5.430 107 2HG GLN 13 1HG GLN 13 -2.340 -6.404 -6.858 108 1HE2 GLN 13 1HE2 GLN 13 -5.191 -6.373 -6.780 109 2HE2 GLN 13 2HE2 GLN 13 -5.739 -7.911 -7.346 110 H ARG 14 H ARG 14 1.012 -8.790 -5.336 111 HA ARG 14 HA ARG 14 1.332 -9.811 -2.770 112 1HB ARG 14 2HB ARG 14 2.051 -10.740 -5.111 113 2HB ARG 14 1HB ARG 14 3.575 -9.942 -4.752 114 1HG ARG 14 2HG ARG 14 2.408 -11.740 -2.695 115 2HG ARG 14 1HG ARG 14 3.155 -12.460 -4.123 116 1HD ARG 14 2HD ARG 14 4.983 -10.552 -3.381 117 2HD ARG 14 1HD ARG 14 4.379 -11.131 -1.828 118 HE ARG 14 HE ARG 14 4.931 -13.375 -3.355 119 1HH1 ARG 14 1HH1 ARG 14 6.695 -10.673 -2.026 120 2HH1 ARG 14 2HH1 ARG 14 8.175 -11.558 -1.866 121 1HH2 ARG 14 1HH2 ARG 14 6.878 -14.539 -3.147 122 2HH2 ARG 14 2HH2 ARG 14 8.280 -13.753 -2.502 123 H ALA 15 H ALA 15 3.140 -7.291 -4.446 124 HA ALA 15 HA ALA 15 5.266 -7.024 -2.648 125 1HB ALA 15 1HB ALA 15 3.950 -5.077 -4.521 126 2HB ALA 15 2HB ALA 15 5.479 -5.934 -4.719 127 3HB ALA 15 3HB ALA 15 5.343 -4.637 -3.533 128 H VAL 16 H VAL 16 2.029 -5.625 -2.621 129 HA VAL 16 HA VAL 16 2.535 -3.987 -0.319 130 HB VAL 16 HB VAL 16 -0.286 -4.523 -0.756 131 1HG1 VAL 16 1HG1 VAL 16 1.339 -2.448 0.063 132 2HG1 VAL 16 2HG1 VAL 16 -0.405 -2.374 -0.193 133 3HG1 VAL 16 3HG1 VAL 16 0.698 -1.896 -1.483 134 1HG2 VAL 16 1HG2 VAL 16 1.383 -3.817 -3.149 135 2HG2 VAL 16 2HG2 VAL 16 -0.283 -3.257 -2.997 136 3HG2 VAL 16 3HG2 VAL 16 0.068 -4.984 -3.016 137 H ALA 17 H ALA 17 0.908 -7.066 -0.945 138 HA ALA 17 HA ALA 17 -0.201 -7.526 1.556 139 1HB ALA 17 1HB ALA 17 0.440 -9.103 -0.788 140 2HB ALA 17 2HB ALA 17 -0.918 -9.240 0.327 141 3HB ALA 17 3HB ALA 17 0.613 -10.033 0.702 142 H LYS 18 H LYS 18 3.101 -8.009 0.441 143 HA LYS 18 HA LYS 18 3.946 -9.360 2.828 144 1HB LYS 18 2HB LYS 18 6.189 -9.196 1.895 145 2HB LYS 18 1HB LYS 18 5.057 -9.742 0.666 146 1HG LYS 18 2HG LYS 18 5.365 -7.923 -0.612 147 2HG LYS 18 1HG LYS 18 5.467 -6.836 0.774 148 1HD LYS 18 2HD LYS 18 7.760 -8.145 1.123 149 2HD LYS 18 1HD LYS 18 7.604 -8.348 -0.624 150 1HE LYS 18 2HE LYS 18 7.737 -6.075 -1.030 151 2HE LYS 18 1HE LYS 18 7.216 -5.650 0.599 152 1HZ LYS 18 1HZ LYS 18 9.841 -6.861 -0.083 153 2HZ LYS 18 2HZ LYS 18 9.342 -6.353 1.451 154 3HZ LYS 18 3HZ LYS 18 9.583 -5.216 0.222 155 H ALA 19 H ALA 19 3.714 -6.066 1.766 156 HA ALA 19 HA ALA 19 5.564 -4.929 3.591 157 1HB ALA 19 1HB ALA 19 3.714 -3.995 1.592 158 2HB ALA 19 2HB ALA 19 5.177 -3.230 2.212 159 3HB ALA 19 3HB ALA 19 3.638 -2.984 3.036 160 H LEU 20 H LEU 20 1.993 -4.907 3.625 161 HA LEU 20 HA LEU 20 1.942 -4.071 6.378 162 1HB LEU 20 2HB LEU 20 -0.409 -5.084 4.802 163 2HB LEU 20 1HB LEU 20 -0.407 -3.967 6.153 164 HG LEU 20 HG LEU 20 0.842 -3.288 3.498 165 1HD1 LEU 20 1HD1 LEU 20 -1.996 -3.199 4.369 166 2HD1 LEU 20 2HD1 LEU 20 -1.309 -3.501 2.773 167 3HD1 LEU 20 3HD1 LEU 20 -1.372 -1.858 3.408 168 1HD2 LEU 20 1HD2 LEU 20 1.006 -1.132 4.283 169 2HD2 LEU 20 2HD2 LEU 20 1.321 -2.061 5.750 170 3HD2 LEU 20 3HD2 LEU 20 -0.272 -1.355 5.479 171 H GLY 21 H GLY 21 1.866 -7.080 4.669 172 1HA GLY 21 2HA GLY 21 2.319 -9.145 5.744 173 2HA GLY 21 1HA GLY 21 1.681 -8.478 7.238 174 H ILE 22 H ILE 22 -0.016 -8.135 4.212 175 HA ILE 22 HA ILE 22 -2.074 -9.980 5.232 176 HB ILE 22 HB ILE 22 -3.677 -8.732 3.820 177 1HG1 ILE 22 2HG1 ILE 22 -1.350 -6.844 3.391 178 2HG1 ILE 22 1HG1 ILE 22 -2.070 -7.878 2.161 179 1HG2 ILE 22 1HG2 ILE 22 -3.940 -7.913 5.901 180 2HG2 ILE 22 2HG2 ILE 22 -3.224 -6.460 5.203 181 3HG2 ILE 22 3HG2 ILE 22 -2.218 -7.592 6.107 182 1HD1 ILE 22 1HD1 ILE 22 -2.751 -5.260 2.752 183 2HD1 ILE 22 2HD1 ILE 22 -4.059 -6.225 3.435 184 3HD1 ILE 22 3HD1 ILE 22 -3.644 -6.383 1.728 185 H SER 23 H SER 23 -3.558 -10.644 3.217 186 HA SER 23 HA SER 23 -1.742 -12.047 1.407 187 1HB SER 23 2HB SER 23 -4.681 -12.446 2.008 188 2HB SER 23 1HB SER 23 -3.768 -13.402 0.840 189 HG SER 23 HG SER 23 -3.908 -13.678 3.507 190 H ASP 24 H ASP 24 -2.597 -12.380 -0.874 191 HA ASP 24 HA ASP 24 -2.706 -9.927 -2.202 192 1HB ASP 24 2HB ASP 24 -2.901 -12.758 -2.935 193 2HB ASP 24 1HB ASP 24 -3.800 -11.693 -4.013 194 H ALA 25 H ALA 25 -5.250 -11.971 -0.967 195 HA ALA 25 HA ALA 25 -7.411 -10.874 -2.407 196 1HB ALA 25 1HB ALA 25 -7.410 -12.136 0.333 197 2HB ALA 25 2HB ALA 25 -7.572 -12.992 -1.200 198 3HB ALA 25 3HB ALA 25 -8.826 -11.867 -0.682 199 H ALA 26 H ALA 26 -6.004 -10.047 0.744 200 HA ALA 26 HA ALA 26 -7.842 -8.097 1.515 201 1HB ALA 26 1HB ALA 26 -6.451 -8.624 3.239 202 2HB ALA 26 2HB ALA 26 -5.668 -7.143 2.692 203 3HB ALA 26 3HB ALA 26 -5.022 -8.712 2.209 204 H VAL 27 H VAL 27 -4.840 -7.769 -0.353 205 HA VAL 27 HA VAL 27 -5.031 -4.956 -0.674 206 HB VAL 27 HB VAL 27 -3.546 -6.954 -2.390 207 1HG1 VAL 27 1HG1 VAL 27 -3.149 -3.978 -2.087 208 2HG1 VAL 27 2HG1 VAL 27 -3.864 -4.783 -3.485 209 3HG1 VAL 27 3HG1 VAL 27 -2.172 -5.065 -3.075 210 1HG2 VAL 27 1HG2 VAL 27 -2.731 -5.426 0.075 211 2HG2 VAL 27 2HG2 VAL 27 -1.582 -6.207 -1.013 212 3HG2 VAL 27 3HG2 VAL 27 -2.777 -7.176 -0.149 213 H SER 28 H SER 28 -6.146 -7.705 -2.571 214 HA SER 28 HA SER 28 -6.957 -6.158 -4.828 215 1HB SER 28 2HB SER 28 -6.432 -8.595 -4.938 216 2HB SER 28 1HB SER 28 -7.896 -8.918 -4.010 217 HG SER 28 HG SER 28 -7.599 -8.272 -6.663 218 H GLN 29 H GLN 29 -8.510 -7.264 -1.883 219 HA GLN 29 HA GLN 29 -11.160 -6.633 -2.639 220 1HB GLN 29 2HB GLN 29 -10.160 -8.039 -0.619 221 2HB GLN 29 1HB GLN 29 -10.330 -6.504 0.220 222 1HG GLN 29 2HG GLN 29 -12.590 -6.595 0.230 223 2HG GLN 29 1HG GLN 29 -12.670 -7.418 -1.327 224 1HE2 GLN 29 1HE2 GLN 29 -13.120 -7.754 1.928 225 2HE2 GLN 29 2HE2 GLN 29 -13.080 -9.476 2.043 226 H TRP 30 H TRP 30 -8.507 -4.693 -1.702 227 HA TRP 30 HA TRP 30 -9.668 -2.559 -0.388 228 1HB TRP 30 2HB TRP 30 -7.353 -2.752 -2.291 229 2HB TRP 30 1HB TRP 30 -7.849 -1.192 -1.645 230 HD1 TRP 30 HD TRP 30 -8.534 -3.266 1.155 231 HE1 TRP 30 1HE TRP 30 -6.549 -3.427 2.784 232 HE3 TRP 30 3HE TRP 30 -4.829 -1.526 -1.908 233 HZ2 TRP 30 2HZ TRP 30 -3.776 -2.888 2.772 234 HZ3 TRP 30 3HZ TRP 30 -2.539 -1.379 -1.023 235 HH2 TRP 30 HH TRP 30 -2.024 -2.045 1.269 236 H LYS 31 H LYS 31 -9.602 -0.254 -1.603 237 HA LYS 31 HA LYS 31 -11.030 -0.371 -4.137 238 1HB LYS 31 2HB LYS 31 -12.230 1.148 -1.828 239 2HB LYS 31 1HB LYS 31 -12.960 0.798 -3.393 240 1HG LYS 31 2HG LYS 31 -13.130 -1.546 -2.829 241 2HG LYS 31 1HG LYS 31 -12.310 -1.262 -1.292 242 1HD LYS 31 2HD LYS 31 -14.170 0.319 -0.708 243 2HD LYS 31 1HD LYS 31 -15.010 -0.242 -2.156 244 1HE LYS 31 2HE LYS 31 -14.020 -2.263 -0.211 245 2HE LYS 31 1HE LYS 31 -15.450 -1.334 0.207 246 1HZ LYS 31 1HZ LYS 31 -15.520 -3.587 -1.193 247 2HZ LYS 31 2HZ LYS 31 -15.410 -2.476 -2.462 248 3HZ LYS 31 3HZ LYS 31 -16.680 -2.364 -1.354 249 H GLU 32 H GLU 32 -11.900 2.301 -4.150 250 HA GLU 32 HA GLU 32 -9.712 3.667 -5.094 251 1HB GLU 32 2HB GLU 32 -12.450 4.302 -4.435 252 2HB GLU 32 1HB GLU 32 -11.390 5.652 -4.044 253 1HG GLU 32 2HG GLU 32 -10.460 5.483 -6.362 254 2HG GLU 32 1HG GLU 32 -11.730 4.305 -6.709 255 H VAL 33 H VAL 33 -10.710 3.246 -1.796 256 HA VAL 33 HA VAL 33 -8.354 4.755 -0.927 257 HB VAL 33 HB VAL 33 -10.920 4.892 0.638 258 1HG1 VAL 33 1HG1 VAL 33 -8.368 5.551 1.305 259 2HG1 VAL 33 2HG1 VAL 33 -9.812 6.264 2.026 260 3HG1 VAL 33 3HG1 VAL 33 -8.984 7.092 0.707 261 1HG2 VAL 33 1HG2 VAL 33 -9.984 6.819 -1.486 262 2HG2 VAL 33 2HG2 VAL 33 -11.280 7.132 -0.341 263 3HG2 VAL 33 3HG2 VAL 33 -11.440 5.835 -1.525 264 H ILE 34 H ILE 34 -7.071 3.357 0.079 265 HA ILE 34 HA ILE 34 -7.904 0.838 1.044 266 HB ILE 34 HB ILE 34 -5.660 0.633 1.998 267 1HG1 ILE 34 2HG1 ILE 34 -5.294 3.519 1.167 268 2HG1 ILE 34 1HG1 ILE 34 -5.452 2.955 2.828 269 1HG2 ILE 34 1HG2 ILE 34 -5.268 1.992 -0.630 270 2HG2 ILE 34 2HG2 ILE 34 -6.218 0.509 -0.533 271 3HG2 ILE 34 3HG2 ILE 34 -4.533 0.515 -0.010 272 1HD1 ILE 34 1HD1 ILE 34 -3.372 1.904 2.788 273 2HD1 ILE 34 2HD1 ILE 34 -3.112 3.431 1.944 274 3HD1 ILE 34 3HD1 ILE 34 -3.289 1.936 1.025 275 HA PRO 35 HA PRO 35 -9.321 1.328 5.180 276 1HB PRO 35 2HB PRO 35 -7.036 -0.356 6.091 277 2HB PRO 35 1HB PRO 35 -8.767 -0.544 6.400 278 1HG PRO 35 2HG PRO 35 -7.533 -2.115 4.646 279 2HG PRO 35 1HG PRO 35 -9.167 -1.503 4.325 280 1HD PRO 35 2HD PRO 35 -6.552 -0.623 3.185 281 2HD PRO 35 1HD PRO 35 -8.143 -0.734 2.404 282 H GLU 36 H GLU 36 -8.771 2.204 7.293 283 HA GLU 36 HA GLU 36 -6.889 4.340 7.104 284 1HB GLU 36 2HB GLU 36 -8.998 4.567 8.340 285 2HB GLU 36 1HB GLU 36 -8.467 3.340 9.481 286 1HG GLU 36 2HG GLU 36 -6.435 4.983 9.788 287 2HG GLU 36 1HG GLU 36 -7.599 6.164 9.187 288 H LYS 37 H LYS 37 -6.868 1.153 8.533 289 HA LYS 37 HA LYS 37 -4.446 1.657 10.038 290 1HB LYS 37 2HB LYS 37 -6.363 -0.595 9.762 291 2HB LYS 37 1HB LYS 37 -4.712 -1.008 10.204 292 1HG LYS 37 2HG LYS 37 -4.820 0.209 12.200 293 2HG LYS 37 1HG LYS 37 -6.263 1.087 11.686 294 1HD LYS 37 2HD LYS 37 -7.212 -1.414 11.567 295 2HD LYS 37 1HD LYS 37 -5.992 -1.633 12.823 296 1HE LYS 37 2HE LYS 37 -8.247 -1.053 13.697 297 2HE LYS 37 1HE LYS 37 -6.982 0.080 14.171 298 1HZ LYS 37 1HZ LYS 37 -7.884 1.735 12.956 299 2HZ LYS 37 2HZ LYS 37 -9.307 0.849 13.175 300 3HZ LYS 37 3HZ LYS 37 -8.439 0.708 11.730 301 H ASP 38 H ASP 38 -5.315 0.470 6.916 302 HA ASP 38 HA ASP 38 -2.829 -0.916 6.468 303 1HB ASP 38 2HB ASP 38 -5.062 -0.094 4.597 304 2HB ASP 38 1HB ASP 38 -3.643 -1.004 4.086 305 H ALA 39 H ALA 39 -4.295 2.140 5.428 306 HA ALA 39 HA ALA 39 -2.162 3.054 3.858 307 1HB ALA 39 1HB ALA 39 -3.961 4.365 3.466 308 2HB ALA 39 2HB ALA 39 -3.221 5.367 4.715 309 3HB ALA 39 3HB ALA 39 -4.533 4.265 5.130 310 H TYR 40 H TYR 40 -2.585 2.903 7.294 311 HA TYR 40 HA TYR 40 -0.730 4.916 8.027 312 1HB TYR 40 2HB TYR 40 -2.372 4.110 9.617 313 2HB TYR 40 1HB TYR 40 -1.710 2.476 9.526 314 HD1 TYR 40 1HD TYR 40 -0.063 5.804 9.934 315 HD2 TYR 40 2HD TYR 40 -0.807 1.958 11.589 316 HE1 TYR 40 1HE TYR 40 1.449 6.325 11.800 317 HE2 TYR 40 2HE TYR 40 0.701 2.467 13.465 318 HH TYR 40 HH TYR 40 2.769 5.209 13.470 319 H ARG 41 H ARG 41 -0.405 1.362 7.983 320 HA ARG 41 HA ARG 41 2.288 1.228 8.644 321 1HB ARG 41 2HB ARG 41 0.421 -0.577 7.167 322 2HB ARG 41 1HB ARG 41 2.136 -0.962 7.189 323 1HG ARG 41 2HG ARG 41 2.041 -1.717 9.278 324 2HG ARG 41 1HG ARG 41 1.124 -0.314 9.829 325 1HD ARG 41 2HD ARG 41 -0.910 -1.310 9.412 326 2HD ARG 41 1HD ARG 41 -0.247 -2.394 8.189 327 HE ARG 41 HE ARG 41 0.169 -3.919 9.834 328 1HH1 ARG 41 1HH1 ARG 41 -0.278 -0.791 11.315 329 2HH1 ARG 41 2HH1 ARG 41 -0.236 -1.411 12.932 330 1HH2 ARG 41 1HH2 ARG 41 0.223 -4.736 11.959 331 2HH2 ARG 41 2HH2 ARG 41 0.048 -3.651 13.298 332 H LEU 42 H LEU 42 0.826 2.216 5.678 333 HA LEU 42 HA LEU 42 2.742 1.601 3.788 334 1HB LEU 42 2HB LEU 42 1.069 4.100 4.035 335 2HB LEU 42 1HB LEU 42 1.988 3.668 2.606 336 HG LEU 42 HG LEU 42 -0.379 2.196 3.756 337 1HD1 LEU 42 1HD1 LEU 42 -1.207 2.669 1.379 338 2HD1 LEU 42 2HD1 LEU 42 0.098 3.853 1.303 339 3HD1 LEU 42 3HD1 LEU 42 -1.169 4.013 2.520 340 1HD2 LEU 42 1HD2 LEU 42 -0.025 0.846 1.561 341 2HD2 LEU 42 2HD2 LEU 42 0.907 0.431 3.000 342 3HD2 LEU 42 3HD2 LEU 42 1.647 1.385 1.714 343 H GLU 43 H GLU 43 2.551 4.650 5.635 344 HA GLU 43 HA GLU 43 4.907 5.791 4.743 345 1HB GLU 43 2HB GLU 43 3.393 6.048 7.325 346 2HB GLU 43 1HB GLU 43 4.883 6.942 7.057 347 1HG GLU 43 2HG GLU 43 3.338 7.371 4.771 348 2HG GLU 43 1HG GLU 43 2.221 7.495 6.129 349 H ILE 44 H ILE 44 4.482 3.160 6.949 350 HA ILE 44 HA ILE 44 7.148 3.386 8.060 351 HB ILE 44 HB ILE 44 5.211 1.098 8.363 352 1HG1 ILE 44 2HG1 ILE 44 5.361 3.776 9.664 353 2HG1 ILE 44 1HG1 ILE 44 3.953 2.794 9.279 354 1HG2 ILE 44 1HG2 ILE 44 6.518 0.423 10.207 355 2HG2 ILE 44 2HG2 ILE 44 7.413 1.943 10.228 356 3HG2 ILE 44 3HG2 ILE 44 7.668 0.788 8.920 357 1HD1 ILE 44 1HD1 ILE 44 5.867 2.337 11.552 358 2HD1 ILE 44 2HD1 ILE 44 4.471 1.332 11.169 359 3HD1 ILE 44 3HD1 ILE 44 4.241 3.007 11.673 360 H VAL 45 H VAL 45 5.402 1.061 6.002 361 HA VAL 45 HA VAL 45 7.703 -0.512 5.468 362 HB VAL 45 HB VAL 45 5.135 -1.072 5.273 363 1HG1 VAL 45 1HG1 VAL 45 5.793 -0.366 2.420 364 2HG1 VAL 45 2HG1 VAL 45 4.697 0.537 3.467 365 3HG1 VAL 45 3HG1 VAL 45 4.310 -1.118 3.005 366 1HG2 VAL 45 1HG2 VAL 45 5.776 -3.092 4.462 367 2HG2 VAL 45 2HG2 VAL 45 7.375 -2.426 4.790 368 3HG2 VAL 45 3HG2 VAL 45 6.724 -2.388 3.152 369 H THR 46 H THR 46 5.989 1.999 3.678 370 HA THR 46 HA THR 46 7.740 1.846 1.413 371 HB THR 46 HB THR 46 6.421 3.603 0.502 372 HG1 THR 46 1HG THR 46 5.622 4.054 3.165 373 1HG2 THR 46 1HG2 THR 46 4.289 2.332 2.104 374 2HG2 THR 46 2HG2 THR 46 5.286 1.298 1.081 375 3HG2 THR 46 3HG2 THR 46 4.379 2.634 0.370 376 H ALA 47 H ALA 47 8.368 2.937 4.409 377 HA ALA 47 HA ALA 47 9.940 4.316 5.304 378 1HB ALA 47 1HB ALA 47 11.671 3.614 4.007 379 2HB ALA 47 2HB ALA 47 11.585 5.289 3.460 380 3HB ALA 47 3HB ALA 47 10.848 4.008 2.498 381 H GLY 48 H GLY 48 7.364 5.370 4.384 382 1HA GLY 48 2HA GLY 48 6.399 7.469 4.597 383 2HA GLY 48 1HA GLY 48 8.008 8.172 4.640 384 H ALA 49 H ALA 49 7.070 6.021 2.068 385 HA ALA 49 HA ALA 49 7.782 7.808 0.037 386 1HB ALA 49 1HB ALA 49 6.761 6.219 -1.499 387 2HB ALA 49 2HB ALA 49 5.939 5.428 -0.155 388 3HB ALA 49 3HB ALA 49 7.698 5.377 -0.266 389 H LEU 50 H LEU 50 4.549 6.851 1.181 390 HA LEU 50 HA LEU 50 3.389 9.078 -0.327 391 1HB LEU 50 2HB LEU 50 2.298 6.562 0.863 392 2HB LEU 50 1HB LEU 50 1.219 7.919 0.597 393 HG LEU 50 HG LEU 50 2.428 7.753 -1.833 394 1HD1 LEU 50 1HD1 LEU 50 1.867 4.905 -1.491 395 2HD1 LEU 50 2HD1 LEU 50 3.310 5.461 -0.641 396 3HD1 LEU 50 3HD1 LEU 50 3.158 5.712 -2.381 397 1HD2 LEU 50 1HD2 LEU 50 0.357 6.442 -2.492 398 2HD2 LEU 50 2HD2 LEU 50 0.090 7.967 -1.648 399 3HD2 LEU 50 3HD2 LEU 50 -0.063 6.441 -0.779 400 H LYS 51 H LYS 51 1.271 9.881 0.986 401 HA LYS 51 HA LYS 51 2.252 10.703 3.642 402 1HB LYS 51 2HB LYS 51 0.934 12.811 3.268 403 2HB LYS 51 1HB LYS 51 2.336 12.617 2.224 404 1HG LYS 51 2HG LYS 51 0.020 11.482 0.971 405 2HG LYS 51 1HG LYS 51 -0.310 13.141 1.471 406 1HD LYS 51 2HD LYS 51 2.263 12.550 0.090 407 2HD LYS 51 1HD LYS 51 0.783 12.610 -0.869 408 1HE LYS 51 2HE LYS 51 1.617 14.803 1.017 409 2HE LYS 51 1HE LYS 51 2.073 14.774 -0.686 410 1HZ LYS 51 1HZ LYS 51 0.036 16.097 -0.119 411 2HZ LYS 51 2HZ LYS 51 -0.745 14.636 0.221 412 3HZ LYS 51 3HZ LYS 51 -0.171 14.944 -1.339 413 H TYR 52 H TYR 52 1.135 9.474 5.038 414 HA TYR 52 HA TYR 52 -1.548 8.622 4.594 415 1HB TYR 52 2HB TYR 52 -0.133 7.229 5.935 416 2HB TYR 52 1HB TYR 52 0.236 8.555 7.031 417 HD1 TYR 52 1HD TYR 52 -0.452 7.533 9.054 418 HD2 TYR 52 2HD TYR 52 -3.155 7.739 5.773 419 HE1 TYR 52 1HE TYR 52 -2.289 6.829 10.528 420 HE2 TYR 52 2HE TYR 52 -4.993 7.035 7.238 421 HH TYR 52 HH TYR 52 -5.452 7.186 9.822 422 H GLN 53 H GLN 53 -3.277 9.873 4.737 423 HA GLN 53 HA GLN 53 -3.327 11.974 6.799 424 1HB GLN 53 2HB GLN 53 -4.018 12.088 3.911 425 2HB GLN 53 1HB GLN 53 -5.054 12.982 5.016 426 1HG GLN 53 2HG GLN 53 -3.134 14.214 5.850 427 2HG GLN 53 1HG GLN 53 -2.068 13.291 4.791 428 1HE2 GLN 53 1HE2 GLN 53 -1.527 14.274 2.990 429 2HE2 GLN 53 2HE2 GLN 53 -2.451 15.476 2.162 430 H GLU 54 H GLU 54 -5.041 11.992 8.127 431 HA GLU 54 HA GLU 54 -7.008 9.873 7.815 432 1HB GLU 54 2HB GLU 54 -7.721 10.634 10.123 433 2HB GLU 54 1HB GLU 54 -6.090 9.989 9.992 434 1HG GLU 54 2HG GLU 54 -5.110 12.088 10.221 435 2HG GLU 54 1HG GLU 54 -6.606 12.932 9.827 436 H ASN 55 H ASN 55 -7.060 12.335 6.118 437 HA ASN 55 HA ASN 55 -9.273 13.913 6.976 438 1HB ASN 55 2HB ASN 55 -7.752 13.644 4.400 439 2HB ASN 55 1HB ASN 55 -9.237 14.587 4.462 440 1HD2 ASN 55 1HD2 ASN 55 -9.093 16.634 5.053 441 2HD2 ASN 55 2HD2 ASN 55 -7.732 17.370 5.821 442 H ALA 56 H ALA 56 -9.095 12.001 3.985 443 HA ALA 56 HA ALA 56 -11.880 11.681 3.764 444 1HB ALA 56 1HB ALA 56 -10.980 9.637 2.274 445 2HB ALA 56 2HB ALA 56 -9.498 10.580 2.410 446 3HB ALA 56 3HB ALA 56 -10.950 11.316 1.735 447 H TYR 57 H TYR 57 -9.573 10.066 5.710 448 HA TYR 57 HA TYR 57 -11.030 7.607 5.984 449 1HB TYR 57 2HB TYR 57 -8.703 8.759 7.518 450 2HB TYR 57 1HB TYR 57 -9.382 7.162 7.818 451 HD1 TYR 57 1HD TYR 57 -9.902 6.256 5.047 452 HD2 TYR 57 2HD TYR 57 -6.555 8.305 6.693 453 HE1 TYR 57 1HE TYR 57 -8.464 5.309 3.292 454 HE2 TYR 57 2HE TYR 57 -5.111 7.364 4.942 455 HH TYR 57 HH TYR 57 -4.989 6.034 3.164 456 H ARG 58 H ARG 58 -11.300 10.723 7.311 457 HA ARG 58 HA ARG 58 -12.380 9.920 9.859 458 1HB ARG 58 2HB ARG 58 -11.770 12.450 8.483 459 2HB ARG 58 1HB ARG 58 -13.170 12.519 9.535 460 1HG ARG 58 2HG ARG 58 -11.820 11.706 11.400 461 2HG ARG 58 1HG ARG 58 -10.410 11.636 10.344 462 1HD ARG 58 2HD ARG 58 -10.070 13.687 11.280 463 2HD ARG 58 1HD ARG 58 -11.070 14.162 9.909 464 HE ARG 58 HE ARG 58 -12.600 13.569 12.259 465 1HH1 ARG 58 1HH1 ARG 58 -10.750 16.038 10.630 466 2HH1 ARG 58 2HH1 ARG 58 -11.560 17.346 11.419 467 1HH2 ARG 58 1HH2 ARG 58 -13.670 15.288 13.297 468 2HH2 ARG 58 2HH2 ARG 58 -13.220 16.920 12.933 469 H GLN 59 H GLN 59 -14.600 11.329 10.297 470 HA GLN 59 HA GLN 59 -16.530 10.069 8.495 471 1HB GLN 59 2HB GLN 59 -16.680 11.048 11.332 472 2HB GLN 59 1HB GLN 59 -18.140 10.737 10.402 473 1HG GLN 59 2HG GLN 59 -16.690 8.452 10.000 474 2HG GLN 59 1HG GLN 59 -16.290 8.878 11.662 475 1HE2 GLN 59 1HE2 GLN 59 -18.370 9.700 12.873 476 2HE2 GLN 59 2HE2 GLN 59 -19.720 8.630 12.760 477 H ALA 60 H ALA 60 -18.600 11.299 8.140 478 HA ALA 60 HA ALA 60 -19.720 13.088 7.301 479 1HB ALA 60 1HB ALA 60 -18.280 15.317 8.299 480 2HB ALA 60 2HB ALA 60 -18.340 14.090 9.566 481 3HB ALA 60 3HB ALA 60 -19.830 14.680 8.841 482 H ALA 61 H ALA 61 -16.550 14.658 7.535 483 HA ALA 61 HA ALA 61 -16.670 15.370 4.739 484 1HB ALA 61 1HB ALA 61 -15.020 16.129 7.064 485 2HB ALA 61 2HB ALA 61 -15.750 17.134 5.814 486 3HB ALA 61 3HB ALA 61 -14.260 16.253 5.477 Start of MODEL 16 1 1H MET 1 1HT MET 1 -5.699 6.740 1.692 2 2H MET 1 2HT MET 1 -4.359 7.724 2.114 3 3H MET 1 3HT MET 1 -4.155 6.033 1.913 4 HA MET 1 HA MET 1 -4.645 8.098 -0.105 5 1HB MET 1 2HB MET 1 -2.624 7.200 -1.068 6 2HB MET 1 1HB MET 1 -2.336 7.533 0.633 7 1HG MET 1 2HG MET 1 -3.167 4.912 0.643 8 2HG MET 1 1HG MET 1 -2.214 5.027 -0.833 9 1HE MET 1 1HE MET 1 -2.342 6.686 2.439 10 2HE MET 1 2HE MET 1 -0.653 7.127 2.689 11 3HE MET 1 3HE MET 1 -1.302 5.665 3.432 12 H TYR 2 H TYR 2 -4.650 7.143 -2.358 13 HA TYR 2 HA TYR 2 -6.820 5.275 -2.543 14 1HB TYR 2 2HB TYR 2 -5.280 6.975 -4.432 15 2HB TYR 2 1HB TYR 2 -6.061 5.548 -5.105 16 HD1 TYR 2 1HD TYR 2 -7.051 8.103 -2.553 17 HD2 TYR 2 2HD TYR 2 -8.026 6.093 -6.173 18 HE1 TYR 2 1HE TYR 2 -9.180 9.328 -2.652 19 HE2 TYR 2 2HE TYR 2 -10.150 7.312 -6.282 20 HH TYR 2 HH TYR 2 -10.850 9.986 -4.262 21 H LYS 3 H LYS 3 -6.756 3.327 -3.871 22 HA LYS 3 HA LYS 3 -4.590 1.635 -3.133 23 1HB LYS 3 2HB LYS 3 -6.880 0.791 -3.330 24 2HB LYS 3 1HB LYS 3 -6.878 1.156 -5.051 25 1HG LYS 3 2HG LYS 3 -4.704 -0.429 -4.894 26 2HG LYS 3 1HG LYS 3 -5.686 -1.100 -3.592 27 1HD LYS 3 2HD LYS 3 -7.581 -0.941 -5.436 28 2HD LYS 3 1HD LYS 3 -6.194 -1.034 -6.521 29 1HE LYS 3 2HE LYS 3 -5.516 -3.032 -4.952 30 2HE LYS 3 1HE LYS 3 -7.242 -3.052 -4.593 31 1HZ LYS 3 1HZ LYS 3 -5.851 -3.846 -6.996 32 2HZ LYS 3 2HZ LYS 3 -7.227 -2.902 -7.277 33 3HZ LYS 3 3HZ LYS 3 -7.355 -4.342 -6.401 34 H LYS 4 H LYS 4 -5.419 3.440 -6.000 35 HA LYS 4 HA LYS 4 -3.800 2.124 -7.868 36 1HB LYS 4 2HB LYS 4 -5.560 3.933 -8.274 37 2HB LYS 4 1HB LYS 4 -4.306 5.093 -7.862 38 1HG LYS 4 2HG LYS 4 -2.909 4.075 -9.686 39 2HG LYS 4 1HG LYS 4 -4.346 3.169 -10.169 40 1HD LYS 4 2HD LYS 4 -4.705 6.076 -9.802 41 2HD LYS 4 1HD LYS 4 -3.697 5.585 -11.166 42 1HE LYS 4 2HE LYS 4 -5.427 4.515 -12.236 43 2HE LYS 4 1HE LYS 4 -6.311 4.220 -10.738 44 1HZ LYS 4 1HZ LYS 4 -6.385 6.866 -10.813 45 2HZ LYS 4 2HZ LYS 4 -7.568 5.896 -11.533 46 3HZ LYS 4 3HZ LYS 4 -6.327 6.553 -12.475 47 H ASP 5 H ASP 5 -3.078 4.815 -5.675 48 HA ASP 5 HA ASP 5 -0.475 5.329 -6.580 49 1HB ASP 5 2HB ASP 5 -2.104 6.032 -4.242 50 2HB ASP 5 1HB ASP 5 -0.376 5.966 -3.905 51 H VAL 6 H VAL 6 -1.569 3.329 -3.837 52 HA VAL 6 HA VAL 6 0.881 2.441 -2.951 53 HB VAL 6 HB VAL 6 -1.527 0.642 -3.024 54 1HG1 VAL 6 1HG1 VAL 6 0.454 -0.318 -2.089 55 2HG1 VAL 6 2HG1 VAL 6 -0.668 0.040 -0.777 56 3HG1 VAL 6 3HG1 VAL 6 0.710 1.098 -1.073 57 1HG2 VAL 6 1HG2 VAL 6 -1.204 3.239 -1.632 58 2HG2 VAL 6 2HG2 VAL 6 -1.898 1.911 -0.703 59 3HG2 VAL 6 3HG2 VAL 6 -2.665 2.432 -2.203 60 H ILE 7 H ILE 7 -1.283 0.830 -5.281 61 HA ILE 7 HA ILE 7 0.378 -1.327 -5.882 62 HB ILE 7 HB ILE 7 -1.691 0.058 -7.588 63 1HG1 ILE 7 2HG1 ILE 7 -1.753 -2.466 -5.923 64 2HG1 ILE 7 1HG1 ILE 7 -2.573 -0.953 -5.555 65 1HG2 ILE 7 1HG2 ILE 7 -1.691 -2.019 -8.947 66 2HG2 ILE 7 2HG2 ILE 7 -0.249 -2.544 -8.077 67 3HG2 ILE 7 3HG2 ILE 7 -0.198 -1.091 -9.077 68 1HD1 ILE 7 1HD1 ILE 7 -3.475 -1.615 -8.086 69 2HD1 ILE 7 2HD1 ILE 7 -4.346 -1.812 -6.564 70 3HD1 ILE 7 3HD1 ILE 7 -3.408 -3.153 -7.225 71 H ASP 8 H ASP 8 0.454 1.975 -7.002 72 HA ASP 8 HA ASP 8 2.214 1.471 -9.210 73 1HB ASP 8 2HB ASP 8 0.666 3.656 -8.273 74 2HB ASP 8 1HB ASP 8 2.341 4.199 -8.328 75 H HIS 9 H HIS 9 2.533 2.141 -5.826 76 HA HIS 9 HA HIS 9 5.338 2.810 -6.018 77 1HB HIS 9 2HB HIS 9 4.074 3.955 -4.322 78 2HB HIS 9 1HB HIS 9 3.482 2.435 -3.663 79 HD1 HIS 9 1HD HIS 9 6.220 4.853 -3.384 80 HD2 HIS 9 2HD HIS 9 5.522 0.907 -2.286 81 HE1 HIS 9 1HE HIS 9 7.987 4.307 -1.682 82 HE2 HIS 9 2HE HIS 9 7.490 1.944 -0.965 83 H PHE 10 H PHE 10 3.334 0.056 -5.285 84 HA PHE 10 HA PHE 10 5.625 -1.528 -4.412 85 1HB PHE 10 2HB PHE 10 2.654 -1.943 -4.405 86 2HB PHE 10 1HB PHE 10 3.742 -3.315 -4.218 87 HD1 PHE 10 1HD PHE 10 2.364 -0.341 -2.665 88 HD2 PHE 10 2HD PHE 10 5.206 -3.476 -2.273 89 HE1 PHE 10 1HE PHE 10 2.585 0.170 -0.270 90 HE2 PHE 10 2HE PHE 10 5.435 -2.975 0.127 91 HZ PHE 10 HZ PHE 10 4.122 -1.150 1.133 92 H GLY 11 H GLY 11 3.376 -1.247 -7.099 93 1HA GLY 11 2HA GLY 11 3.874 -1.885 -9.313 94 2HA GLY 11 1HA GLY 11 5.153 -2.926 -8.701 95 H THR 12 H THR 12 3.808 -4.437 -6.846 96 HA THR 12 HA THR 12 1.637 -5.721 -8.353 97 HB THR 12 HB THR 12 2.549 -7.920 -7.898 98 HG1 THR 12 1HG THR 12 4.539 -6.477 -6.507 99 1HG2 THR 12 1HG2 THR 12 5.052 -6.750 -8.847 100 2HG2 THR 12 2HG2 THR 12 3.621 -6.247 -9.744 101 3HG2 THR 12 3HG2 THR 12 4.005 -7.960 -9.587 102 H GLN 13 H GLN 13 -0.039 -6.451 -7.136 103 HA GLN 13 HA GLN 13 -0.549 -5.422 -4.636 104 1HB GLN 13 2HB GLN 13 -2.287 -7.253 -4.458 105 2HB GLN 13 1HB GLN 13 -2.375 -6.248 -5.897 106 1HG GLN 13 2HG GLN 13 -0.788 -8.251 -6.778 107 2HG GLN 13 1HG GLN 13 -1.797 -9.111 -5.617 108 1HE2 GLN 13 1HE2 GLN 13 -4.200 -7.990 -5.839 109 2HE2 GLN 13 2HE2 GLN 13 -4.829 -8.161 -7.438 110 H ARG 14 H ARG 14 0.569 -8.720 -5.385 111 HA ARG 14 HA ARG 14 0.680 -9.811 -2.882 112 1HB ARG 14 2HB ARG 14 1.663 -10.479 -5.398 113 2HB ARG 14 1HB ARG 14 3.093 -10.456 -4.374 114 1HG ARG 14 2HG ARG 14 2.425 -12.629 -4.143 115 2HG ARG 14 1HG ARG 14 1.598 -11.885 -2.772 116 1HD ARG 14 2HD ARG 14 -0.108 -13.111 -3.701 117 2HD ARG 14 1HD ARG 14 -0.336 -11.556 -4.497 118 HE ARG 14 HE ARG 14 1.371 -13.236 -6.018 119 1HH1 ARG 14 1HH1 ARG 14 -1.981 -12.731 -5.190 120 2HH1 ARG 14 2HH1 ARG 14 -2.577 -13.437 -6.655 121 1HH2 ARG 14 1HH2 ARG 14 0.589 -14.163 -7.943 122 2HH2 ARG 14 2HH2 ARG 14 -1.120 -14.249 -8.219 123 H ALA 15 H ALA 15 2.888 -7.473 -4.285 124 HA ALA 15 HA ALA 15 4.947 -7.665 -2.373 125 1HB ALA 15 1HB ALA 15 4.122 -5.262 -3.998 126 2HB ALA 15 2HB ALA 15 5.220 -6.535 -4.530 127 3HB ALA 15 3HB ALA 15 5.669 -5.488 -3.185 128 H VAL 16 H VAL 16 2.200 -5.412 -2.592 129 HA VAL 16 HA VAL 16 2.675 -3.947 -0.293 130 HB VAL 16 HB VAL 16 -0.168 -4.573 -0.853 131 1HG1 VAL 16 1HG1 VAL 16 1.018 -1.860 -0.936 132 2HG1 VAL 16 2HG1 VAL 16 1.012 -2.715 0.605 133 3HG1 VAL 16 3HG1 VAL 16 -0.504 -2.409 -0.241 134 1HG2 VAL 16 1HG2 VAL 16 0.434 -4.640 -3.107 135 2HG2 VAL 16 2HG2 VAL 16 1.684 -3.413 -2.910 136 3HG2 VAL 16 3HG2 VAL 16 -0.017 -2.955 -2.850 137 H ALA 17 H ALA 17 0.883 -6.979 -0.679 138 HA ALA 17 HA ALA 17 -0.066 -7.212 1.941 139 1HB ALA 17 1HB ALA 17 0.194 -8.941 -0.386 140 2HB ALA 17 2HB ALA 17 -1.091 -8.844 0.817 141 3HB ALA 17 3HB ALA 17 0.345 -9.813 1.139 142 H LYS 18 H LYS 18 3.080 -7.828 0.583 143 HA LYS 18 HA LYS 18 4.055 -9.408 2.754 144 1HB LYS 18 2HB LYS 18 4.933 -8.883 0.215 145 2HB LYS 18 1HB LYS 18 6.044 -7.921 1.180 146 1HG LYS 18 2HG LYS 18 6.974 -10.108 0.768 147 2HG LYS 18 1HG LYS 18 6.617 -9.918 2.486 148 1HD LYS 18 2HD LYS 18 5.602 -11.912 2.278 149 2HD LYS 18 1HD LYS 18 4.287 -10.983 1.558 150 1HE LYS 18 2HE LYS 18 4.647 -12.660 -0.003 151 2HE LYS 18 1HE LYS 18 5.574 -11.311 -0.656 152 1HZ LYS 18 1HZ LYS 18 6.516 -13.810 0.540 153 2HZ LYS 18 2HZ LYS 18 7.462 -12.426 0.760 154 3HZ LYS 18 3HZ LYS 18 7.106 -12.966 -0.802 155 H ALA 19 H ALA 19 3.906 -5.995 2.038 156 HA ALA 19 HA ALA 19 5.744 -5.236 4.120 157 1HB ALA 19 1HB ALA 19 4.122 -3.837 2.086 158 2HB ALA 19 2HB ALA 19 5.801 -3.596 2.562 159 3HB ALA 19 3HB ALA 19 4.500 -2.933 3.551 160 H LEU 20 H LEU 20 2.255 -5.465 3.734 161 HA LEU 20 HA LEU 20 1.781 -4.334 6.370 162 1HB LEU 20 2HB LEU 20 -0.046 -5.344 4.200 163 2HB LEU 20 1HB LEU 20 -0.636 -4.858 5.778 164 HG LEU 20 HG LEU 20 1.030 -2.923 4.242 165 1HD1 LEU 20 1HD1 LEU 20 -1.350 -2.148 3.388 166 2HD1 LEU 20 2HD1 LEU 20 -1.670 -3.881 3.474 167 3HD1 LEU 20 3HD1 LEU 20 -0.352 -3.276 2.470 168 1HD2 LEU 20 1HD2 LEU 20 -0.142 -1.315 5.467 169 2HD2 LEU 20 2HD2 LEU 20 0.113 -2.630 6.616 170 3HD2 LEU 20 3HD2 LEU 20 -1.459 -2.428 5.841 171 H GLY 21 H GLY 21 1.842 -7.438 4.768 172 1HA GLY 21 2HA GLY 21 2.207 -9.484 5.883 173 2HA GLY 21 1HA GLY 21 1.651 -8.742 7.377 174 H ILE 22 H ILE 22 -0.165 -8.385 4.433 175 HA ILE 22 HA ILE 22 -2.235 -10.158 5.556 176 HB ILE 22 HB ILE 22 -3.869 -8.836 4.262 177 1HG1 ILE 22 2HG1 ILE 22 -1.530 -7.004 3.690 178 2HG1 ILE 22 1HG1 ILE 22 -2.294 -8.061 2.507 179 1HG2 ILE 22 1HG2 ILE 22 -3.415 -6.622 5.598 180 2HG2 ILE 22 2HG2 ILE 22 -2.153 -7.596 6.353 181 3HG2 ILE 22 3HG2 ILE 22 -3.836 -8.116 6.437 182 1HD1 ILE 22 1HD1 ILE 22 -3.109 -5.449 3.480 183 2HD1 ILE 22 2HD1 ILE 22 -4.413 -6.636 3.500 184 3HD1 ILE 22 3HD1 ILE 22 -3.550 -6.301 2.000 185 H SER 23 H SER 23 -3.859 -10.692 3.580 186 HA SER 23 HA SER 23 -2.267 -12.327 1.800 187 1HB SER 23 2HB SER 23 -4.539 -13.158 1.043 188 2HB SER 23 1HB SER 23 -4.175 -13.411 2.750 189 HG SER 23 HG SER 23 -6.282 -12.273 1.829 190 H ASP 24 H ASP 24 -2.765 -12.423 -0.532 191 HA ASP 24 HA ASP 24 -2.498 -9.879 -1.729 192 1HB ASP 24 2HB ASP 24 -2.657 -11.104 -3.872 193 2HB ASP 24 1HB ASP 24 -1.530 -11.864 -2.751 194 H ALA 25 H ALA 25 -5.241 -11.976 -1.171 195 HA ALA 25 HA ALA 25 -7.071 -10.812 -2.949 196 1HB ALA 25 1HB ALA 25 -8.704 -11.628 -0.988 197 2HB ALA 25 2HB ALA 25 -7.246 -12.512 -0.538 198 3HB ALA 25 3HB ALA 25 -7.951 -12.732 -2.139 199 H ALA 26 H ALA 26 -6.289 -10.027 0.420 200 HA ALA 26 HA ALA 26 -8.244 -8.069 0.830 201 1HB ALA 26 1HB ALA 26 -6.368 -9.201 2.392 202 2HB ALA 26 2HB ALA 26 -7.251 -7.738 2.828 203 3HB ALA 26 3HB ALA 26 -5.637 -7.618 2.129 204 H VAL 27 H VAL 27 -5.123 -7.917 -0.751 205 HA VAL 27 HA VAL 27 -4.978 -5.070 -0.868 206 HB VAL 27 HB VAL 27 -3.572 -7.093 -2.616 207 1HG1 VAL 27 1HG1 VAL 27 -1.960 -5.335 -3.037 208 2HG1 VAL 27 2HG1 VAL 27 -2.855 -4.230 -1.993 209 3HG1 VAL 27 3HG1 VAL 27 -3.575 -4.794 -3.502 210 1HG2 VAL 27 1HG2 VAL 27 -2.727 -5.838 -0.006 211 2HG2 VAL 27 2HG2 VAL 27 -1.682 -6.804 -1.049 212 3HG2 VAL 27 3HG2 VAL 27 -3.094 -7.540 -0.289 213 H SER 28 H SER 28 -6.031 -7.590 -3.126 214 HA SER 28 HA SER 28 -6.593 -5.793 -5.259 215 1HB SER 28 2HB SER 28 -6.227 -8.395 -5.274 216 2HB SER 28 1HB SER 28 -7.969 -8.442 -5.004 217 HG SER 28 HG SER 28 -6.749 -6.980 -7.102 218 H GLN 29 H GLN 29 -8.402 -6.984 -2.525 219 HA GLN 29 HA GLN 29 -10.970 -6.189 -3.472 220 1HB GLN 29 2HB GLN 29 -9.843 -7.149 -0.892 221 2HB GLN 29 1HB GLN 29 -11.380 -6.300 -0.840 222 1HG GLN 29 2HG GLN 29 -12.430 -7.907 -2.205 223 2HG GLN 29 1HG GLN 29 -10.880 -8.629 -2.667 224 1HE2 GLN 29 1HE2 GLN 29 -13.530 -9.027 -0.784 225 2HE2 GLN 29 2HE2 GLN 29 -12.880 -10.084 0.419 226 H TRP 30 H TRP 30 -8.322 -4.448 -2.263 227 HA TRP 30 HA TRP 30 -9.471 -2.416 -0.767 228 1HB TRP 30 2HB TRP 30 -7.071 -2.532 -2.565 229 2HB TRP 30 1HB TRP 30 -7.551 -1.005 -1.835 230 HD1 TRP 30 HD TRP 30 -8.482 -3.000 0.862 231 HE1 TRP 30 1HE TRP 30 -6.580 -3.442 2.539 232 HE3 TRP 30 3HE TRP 30 -4.494 -1.772 -2.091 233 HZ2 TRP 30 2HZ TRP 30 -3.762 -3.293 2.598 234 HZ3 TRP 30 3HZ TRP 30 -2.229 -1.948 -1.148 235 HH2 TRP 30 HH TRP 30 -1.874 -2.693 1.149 236 H LYS 31 H LYS 31 -10.760 -0.752 -1.198 237 HA LYS 31 HA LYS 31 -11.790 -0.420 -3.882 238 1HB LYS 31 2HB LYS 31 -12.700 0.113 -1.217 239 2HB LYS 31 1HB LYS 31 -12.810 1.589 -2.164 240 1HG LYS 31 2HG LYS 31 -14.090 0.345 -3.877 241 2HG LYS 31 1HG LYS 31 -14.050 -1.074 -2.832 242 1HD LYS 31 2HD LYS 31 -15.570 -0.217 -1.377 243 2HD LYS 31 1HD LYS 31 -15.020 1.443 -1.623 244 1HE LYS 31 2HE LYS 31 -16.260 0.207 -3.977 245 2HE LYS 31 1HE LYS 31 -17.340 0.389 -2.599 246 1HZ LYS 31 1HZ LYS 31 -16.400 2.776 -2.549 247 2HZ LYS 31 2HZ LYS 31 -17.580 2.383 -3.690 248 3HZ LYS 31 3HZ LYS 31 -15.960 2.468 -4.154 249 H GLU 32 H GLU 32 -12.370 2.307 -3.922 250 HA GLU 32 HA GLU 32 -10.210 3.429 -5.173 251 1HB GLU 32 2HB GLU 32 -12.720 4.425 -4.034 252 2HB GLU 32 1HB GLU 32 -11.450 5.639 -4.087 253 1HG GLU 32 2HG GLU 32 -11.160 5.216 -6.482 254 2HG GLU 32 1HG GLU 32 -12.450 4.026 -6.421 255 H VAL 33 H VAL 33 -10.830 3.230 -1.754 256 HA VAL 33 HA VAL 33 -8.225 4.474 -1.246 257 HB VAL 33 HB VAL 33 -10.630 4.911 0.515 258 1HG1 VAL 33 1HG1 VAL 33 -8.904 6.868 1.138 259 2HG1 VAL 33 2HG1 VAL 33 -7.774 5.596 0.675 260 3HG1 VAL 33 3HG1 VAL 33 -8.948 5.307 1.959 261 1HG2 VAL 33 1HG2 VAL 33 -9.443 6.655 -1.625 262 2HG2 VAL 33 2HG2 VAL 33 -10.470 7.285 -0.339 263 3HG2 VAL 33 3HG2 VAL 33 -11.100 6.098 -1.477 264 H ILE 34 H ILE 34 -6.928 3.176 -0.113 265 HA ILE 34 HA ILE 34 -7.760 0.642 0.809 266 HB ILE 34 HB ILE 34 -5.524 0.462 1.830 267 1HG1 ILE 34 2HG1 ILE 34 -5.137 3.307 0.874 268 2HG1 ILE 34 1HG1 ILE 34 -5.354 2.838 2.557 269 1HG2 ILE 34 1HG2 ILE 34 -5.966 0.076 -0.610 270 2HG2 ILE 34 2HG2 ILE 34 -4.294 0.461 -0.201 271 3HG2 ILE 34 3HG2 ILE 34 -5.336 1.697 -0.908 272 1HD1 ILE 34 1HD1 ILE 34 -3.279 1.785 2.649 273 2HD1 ILE 34 2HD1 ILE 34 -2.981 3.252 1.718 274 3HD1 ILE 34 3HD1 ILE 34 -3.140 1.702 0.893 275 HA PRO 35 HA PRO 35 -9.300 1.051 4.898 276 1HB PRO 35 2HB PRO 35 -7.031 -0.666 5.801 277 2HB PRO 35 1HB PRO 35 -8.764 -0.842 6.101 278 1HG PRO 35 2HG PRO 35 -7.549 -2.387 4.315 279 2HG PRO 35 1HG PRO 35 -9.171 -1.743 4.000 280 1HD PRO 35 2HD PRO 35 -6.540 -0.888 2.880 281 2HD PRO 35 1HD PRO 35 -8.138 -0.935 2.106 282 H GLU 36 H GLU 36 -8.717 1.721 7.123 283 HA GLU 36 HA GLU 36 -7.047 4.002 7.084 284 1HB GLU 36 2HB GLU 36 -9.121 3.264 8.609 285 2HB GLU 36 1HB GLU 36 -7.813 2.796 9.688 286 1HG GLU 36 2HG GLU 36 -7.111 4.955 10.000 287 2HG GLU 36 1HG GLU 36 -7.785 5.509 8.468 288 H LYS 37 H LYS 37 -6.755 0.999 8.992 289 HA LYS 37 HA LYS 37 -4.156 1.571 9.925 290 1HB LYS 37 2HB LYS 37 -5.944 -0.802 9.915 291 2HB LYS 37 1HB LYS 37 -4.234 -1.089 10.199 292 1HG LYS 37 2HG LYS 37 -4.403 -0.407 12.297 293 2HG LYS 37 1HG LYS 37 -5.146 1.114 11.800 294 1HD LYS 37 2HD LYS 37 -7.272 -0.395 11.485 295 2HD LYS 37 1HD LYS 37 -6.427 -1.455 12.615 296 1HE LYS 37 2HE LYS 37 -6.404 0.194 14.300 297 2HE LYS 37 1HE LYS 37 -6.849 1.469 13.166 298 1HZ LYS 37 1HZ LYS 37 -9.018 0.932 13.277 299 2HZ LYS 37 2HZ LYS 37 -8.586 0.274 14.775 300 3HZ LYS 37 3HZ LYS 37 -8.732 -0.731 13.422 301 H ASP 38 H ASP 38 -5.222 0.483 6.873 302 HA ASP 38 HA ASP 38 -2.825 -0.969 6.214 303 1HB ASP 38 2HB ASP 38 -5.345 -0.242 4.824 304 2HB ASP 38 1HB ASP 38 -3.932 -0.496 3.803 305 H ALA 39 H ALA 39 -4.242 2.133 5.182 306 HA ALA 39 HA ALA 39 -2.039 2.971 3.649 307 1HB ALA 39 1HB ALA 39 -3.309 5.263 4.705 308 2HB ALA 39 2HB ALA 39 -4.558 4.044 4.461 309 3HB ALA 39 3HB ALA 39 -3.526 4.532 3.116 310 H TYR 40 H TYR 40 -2.564 2.878 7.058 311 HA TYR 40 HA TYR 40 -0.697 4.910 7.779 312 1HB TYR 40 2HB TYR 40 -2.469 4.257 9.312 313 2HB TYR 40 1HB TYR 40 -1.847 2.605 9.367 314 HD1 TYR 40 1HD TYR 40 -0.816 6.118 10.089 315 HD2 TYR 40 2HD TYR 40 -0.393 1.999 11.065 316 HE1 TYR 40 1HE TYR 40 0.602 6.727 12.000 317 HE2 TYR 40 2HE TYR 40 1.028 2.596 12.985 318 HH TYR 40 HH TYR 40 2.530 4.567 13.622 319 H ARG 41 H ARG 41 -0.521 1.374 8.221 320 HA ARG 41 HA ARG 41 2.186 1.263 8.852 321 1HB ARG 41 2HB ARG 41 0.539 -0.850 7.458 322 2HB ARG 41 1HB ARG 41 2.053 -1.119 8.307 323 1HG ARG 41 2HG ARG 41 1.083 -0.726 10.399 324 2HG ARG 41 1HG ARG 41 -0.343 0.038 9.691 325 1HD ARG 41 2HD ARG 41 -1.349 -1.943 9.879 326 2HD ARG 41 1HD ARG 41 -0.312 -2.489 8.563 327 HE ARG 41 HE ARG 41 0.904 -3.721 10.066 328 1HH1 ARG 41 1HH1 ARG 41 -1.143 -1.494 11.805 329 2HH1 ARG 41 2HH1 ARG 41 -0.814 -2.203 13.351 330 1HH2 ARG 41 1HH2 ARG 41 1.336 -4.655 12.097 331 2HH2 ARG 41 2HH2 ARG 41 0.593 -3.997 13.516 332 H LEU 42 H LEU 42 0.665 1.755 5.805 333 HA LEU 42 HA LEU 42 2.657 0.741 4.097 334 1HB LEU 42 2HB LEU 42 0.424 2.695 3.819 335 2HB LEU 42 1HB LEU 42 1.633 2.625 2.550 336 HG LEU 42 HG LEU 42 -0.060 0.304 3.480 337 1HD1 LEU 42 1HD1 LEU 42 -0.224 1.454 0.749 338 2HD1 LEU 42 2HD1 LEU 42 -1.008 2.330 2.064 339 3HD1 LEU 42 3HD1 LEU 42 -1.462 0.659 1.722 340 1HD2 LEU 42 1HD2 LEU 42 2.271 0.541 1.675 341 2HD2 LEU 42 2HD2 LEU 42 0.937 -0.473 1.126 342 3HD2 LEU 42 3HD2 LEU 42 1.731 -0.817 2.661 343 H GLU 43 H GLU 43 2.230 3.929 5.573 344 HA GLU 43 HA GLU 43 4.181 5.333 4.193 345 1HB GLU 43 2HB GLU 43 2.511 6.190 5.930 346 2HB GLU 43 1HB GLU 43 3.679 5.681 7.144 347 1HG GLU 43 2HG GLU 43 5.347 7.172 6.161 348 2HG GLU 43 1HG GLU 43 4.172 7.685 4.951 349 H ILE 44 H ILE 44 4.544 3.532 7.242 350 HA ILE 44 HA ILE 44 7.263 3.959 7.608 351 HB ILE 44 HB ILE 44 5.781 1.468 8.414 352 1HG1 ILE 44 2HG1 ILE 44 5.718 3.091 10.593 353 2HG1 ILE 44 1HG1 ILE 44 5.540 4.272 9.306 354 1HG2 ILE 44 1HG2 ILE 44 8.258 2.850 9.402 355 2HG2 ILE 44 2HG2 ILE 44 8.072 1.185 8.849 356 3HG2 ILE 44 3HG2 ILE 44 7.372 1.686 10.387 357 1HD1 ILE 44 1HD1 ILE 44 3.375 3.805 9.423 358 2HD1 ILE 44 2HD1 ILE 44 3.651 2.319 10.333 359 3HD1 ILE 44 3HD1 ILE 44 3.781 2.315 8.574 360 H VAL 45 H VAL 45 5.641 1.230 5.965 361 HA VAL 45 HA VAL 45 7.999 -0.194 5.386 362 HB VAL 45 HB VAL 45 6.641 -1.286 3.571 363 1HG1 VAL 45 1HG1 VAL 45 4.822 -1.990 5.441 364 2HG1 VAL 45 2HG1 VAL 45 6.059 -1.246 6.454 365 3HG1 VAL 45 3HG1 VAL 45 6.478 -2.594 5.399 366 1HG2 VAL 45 1HG2 VAL 45 5.188 0.603 3.052 367 2HG2 VAL 45 2HG2 VAL 45 4.463 0.491 4.655 368 3HG2 VAL 45 3HG2 VAL 45 4.249 -0.821 3.497 369 H THR 46 H THR 46 6.223 2.235 3.541 370 HA THR 46 HA THR 46 7.959 2.049 1.267 371 HB THR 46 HB THR 46 6.646 3.928 0.414 372 HG1 THR 46 1HG THR 46 5.308 3.893 2.904 373 1HG2 THR 46 1HG2 THR 46 4.365 2.564 1.488 374 2HG2 THR 46 2HG2 THR 46 5.615 1.416 1.005 375 3HG2 THR 46 3HG2 THR 46 4.992 2.584 -0.162 376 H ALA 47 H ALA 47 8.669 3.157 4.209 377 HA ALA 47 HA ALA 47 10.252 4.553 5.051 378 1HB ALA 47 1HB ALA 47 11.036 4.288 2.211 379 2HB ALA 47 2HB ALA 47 11.955 3.960 3.680 380 3HB ALA 47 3HB ALA 47 11.756 5.619 3.115 381 H GLY 48 H GLY 48 7.642 5.571 4.455 382 1HA GLY 48 2HA GLY 48 6.625 7.629 4.718 383 2HA GLY 48 1HA GLY 48 8.215 8.375 4.675 384 H ALA 49 H ALA 49 7.180 6.263 2.111 385 HA ALA 49 HA ALA 49 7.693 8.139 0.093 386 1HB ALA 49 1HB ALA 49 7.665 5.669 -0.206 387 2HB ALA 49 2HB ALA 49 6.752 6.545 -1.435 388 3HB ALA 49 3HB ALA 49 5.905 5.722 -0.126 389 H LEU 50 H LEU 50 4.544 6.897 1.223 390 HA LEU 50 HA LEU 50 3.235 9.202 -0.023 391 1HB LEU 50 2HB LEU 50 2.179 6.601 1.071 392 2HB LEU 50 1HB LEU 50 1.129 7.918 0.583 393 HG LEU 50 HG LEU 50 3.087 7.103 -1.456 394 1HD1 LEU 50 1HD1 LEU 50 2.199 5.029 -2.006 395 2HD1 LEU 50 2HD1 LEU 50 0.767 5.265 -1.004 396 3HD1 LEU 50 3HD1 LEU 50 2.331 4.957 -0.248 397 1HD2 LEU 50 1HD2 LEU 50 0.187 7.104 -1.967 398 2HD2 LEU 50 2HD2 LEU 50 1.504 7.851 -2.872 399 3HD2 LEU 50 3HD2 LEU 50 0.871 8.636 -1.425 400 H LYS 51 H LYS 51 1.952 10.636 1.135 401 HA LYS 51 HA LYS 51 2.517 10.712 4.006 402 1HB LYS 51 2HB LYS 51 1.869 13.056 3.906 403 2HB LYS 51 1HB LYS 51 3.082 12.704 2.682 404 1HG LYS 51 2HG LYS 51 0.847 12.316 1.241 405 2HG LYS 51 1HG LYS 51 0.272 13.528 2.385 406 1HD LYS 51 2HD LYS 51 2.912 14.072 1.208 407 2HD LYS 51 1HD LYS 51 1.563 14.098 0.070 408 1HE LYS 51 2HE LYS 51 1.808 16.311 0.884 409 2HE LYS 51 1HE LYS 51 0.384 15.637 1.675 410 1HZ LYS 51 1HZ LYS 51 2.939 16.423 2.810 411 2HZ LYS 51 2HZ LYS 51 2.268 15.002 3.436 412 3HZ LYS 51 3HZ LYS 51 1.393 16.448 3.498 413 H TYR 52 H TYR 52 1.048 9.813 5.276 414 HA TYR 52 HA TYR 52 -1.629 9.292 4.500 415 1HB TYR 52 2HB TYR 52 -0.202 8.063 6.247 416 2HB TYR 52 1HB TYR 52 -0.643 9.363 7.347 417 HD1 TYR 52 1HD TYR 52 -3.342 9.858 7.243 418 HD2 TYR 52 2HD TYR 52 -1.430 6.141 6.455 419 HE1 TYR 52 1HE TYR 52 -5.419 8.678 7.809 420 HE2 TYR 52 2HE TYR 52 -3.507 4.951 7.017 421 HH TYR 52 HH TYR 52 -5.914 6.155 8.707 422 H GLN 53 H GLN 53 -3.441 10.452 4.734 423 HA GLN 53 HA GLN 53 -3.273 12.977 6.246 424 1HB GLN 53 2HB GLN 53 -4.223 12.387 3.532 425 2HB GLN 53 1HB GLN 53 -5.353 13.340 4.484 426 1HG GLN 53 2HG GLN 53 -3.978 15.146 4.572 427 2HG GLN 53 1HG GLN 53 -2.509 14.173 4.486 428 1HE2 GLN 53 1HE2 GLN 53 -2.151 16.104 2.967 429 2HE2 GLN 53 2HE2 GLN 53 -2.524 15.823 1.303 430 H GLU 54 H GLU 54 -5.002 13.537 7.561 431 HA GLU 54 HA GLU 54 -6.727 11.316 8.308 432 1HB GLU 54 2HB GLU 54 -5.722 13.755 9.612 433 2HB GLU 54 1HB GLU 54 -7.379 13.339 10.023 434 1HG GLU 54 2HG GLU 54 -6.564 11.042 10.594 435 2HG GLU 54 1HG GLU 54 -4.921 11.653 10.392 436 H ASN 55 H ASN 55 -7.327 12.491 5.797 437 HA ASN 55 HA ASN 55 -9.659 14.165 6.243 438 1HB ASN 55 2HB ASN 55 -7.802 13.888 4.140 439 2HB ASN 55 1HB ASN 55 -9.349 13.352 3.497 440 1HD2 ASN 55 1HD2 ASN 55 -8.232 15.535 2.431 441 2HD2 ASN 55 2HD2 ASN 55 -9.087 16.959 2.905 442 H ALA 56 H ALA 56 -9.257 11.450 3.990 443 HA ALA 56 HA ALA 56 -11.980 10.681 4.247 444 1HB ALA 56 1HB ALA 56 -10.570 10.372 2.201 445 2HB ALA 56 2HB ALA 56 -11.490 8.948 2.691 446 3HB ALA 56 3HB ALA 56 -9.764 9.048 3.039 447 H TYR 57 H TYR 57 -9.251 10.050 6.137 448 HA TYR 57 HA TYR 57 -10.310 7.520 7.156 449 1HB TYR 57 2HB TYR 57 -7.698 8.949 7.682 450 2HB TYR 57 1HB TYR 57 -8.160 7.412 8.405 451 HD1 TYR 57 1HD TYR 57 -6.454 8.935 5.736 452 HD2 TYR 57 2HD TYR 57 -8.822 5.532 6.684 453 HE1 TYR 57 1HE TYR 57 -5.519 7.753 3.793 454 HE2 TYR 57 2HE TYR 57 -7.894 4.337 4.745 455 HH TYR 57 HH TYR 57 -6.843 5.027 2.488 456 H ARG 58 H ARG 58 -11.550 10.177 7.657 457 HA ARG 58 HA ARG 58 -11.120 10.489 10.536 458 1HB ARG 58 2HB ARG 58 -11.560 12.325 8.490 459 2HB ARG 58 1HB ARG 58 -13.100 12.266 9.342 460 1HG ARG 58 2HG ARG 58 -11.170 12.392 11.347 461 2HG ARG 58 1HG ARG 58 -10.620 13.516 10.103 462 1HD ARG 58 2HD ARG 58 -12.810 14.606 10.125 463 2HD ARG 58 1HD ARG 58 -13.360 13.482 11.369 464 HE ARG 58 HE ARG 58 -11.120 14.634 12.429 465 1HH1 ARG 58 1HH1 ARG 58 -14.120 15.847 11.127 466 2HH1 ARG 58 2HH1 ARG 58 -14.140 17.252 12.139 467 1HH2 ARG 58 1HH2 ARG 58 -11.140 16.481 13.761 468 2HH2 ARG 58 2HH2 ARG 58 -12.440 17.613 13.634 469 H GLN 59 H GLN 59 -12.150 8.463 11.048 470 HA GLN 59 HA GLN 59 -15.080 8.538 10.806 471 1HB GLN 59 2HB GLN 59 -13.390 6.541 9.992 472 2HB GLN 59 1HB GLN 59 -13.860 5.984 11.593 473 1HG GLN 59 2HG GLN 59 -16.270 6.543 10.744 474 2HG GLN 59 1HG GLN 59 -15.520 6.375 9.157 475 1HE2 GLN 59 1HE2 GLN 59 -15.200 4.661 12.251 476 2HE2 GLN 59 2HE2 GLN 59 -15.470 3.085 11.601 477 H ALA 60 H ALA 60 -16.030 7.014 12.669 478 HA ALA 60 HA ALA 60 -14.700 7.319 15.209 479 1HB ALA 60 1HB ALA 60 -15.850 9.024 16.122 480 2HB ALA 60 2HB ALA 60 -17.350 8.605 15.280 481 3HB ALA 60 3HB ALA 60 -16.080 9.508 14.442 482 H ALA 61 H ALA 61 -15.700 6.138 16.888 483 HA ALA 61 HA ALA 61 -17.290 3.927 15.952 484 1HB ALA 61 1HB ALA 61 -16.470 4.495 18.794 485 2HB ALA 61 2HB ALA 61 -15.400 3.738 17.610 486 3HB ALA 61 3HB ALA 61 -16.910 2.943 18.079 Start of MODEL 17 1 1H MET 1 1HT MET 1 -5.853 9.245 -0.295 2 2H MET 1 2HT MET 1 -4.943 9.109 1.153 3 3H MET 1 3HT MET 1 -6.266 8.054 0.867 4 HA MET 1 HA MET 1 -3.867 8.186 -0.826 5 1HB MET 1 2HB MET 1 -4.433 6.826 1.743 6 2HB MET 1 1HB MET 1 -3.681 5.834 0.501 7 1HG MET 1 2HG MET 1 -2.417 8.435 0.798 8 2HG MET 1 1HG MET 1 -2.384 7.473 2.275 9 1HE MET 1 1HE MET 1 -0.661 6.177 2.860 10 2HE MET 1 2HE MET 1 0.507 7.260 2.105 11 3HE MET 1 3HE MET 1 0.635 5.518 1.860 12 H TYR 2 H TYR 2 -4.431 7.421 -2.752 13 HA TYR 2 HA TYR 2 -6.717 5.632 -3.003 14 1HB TYR 2 2HB TYR 2 -5.128 7.312 -4.899 15 2HB TYR 2 1HB TYR 2 -6.042 5.948 -5.532 16 HD1 TYR 2 1HD TYR 2 -6.967 8.233 -2.748 17 HD2 TYR 2 2HD TYR 2 -7.766 6.981 -6.734 18 HE1 TYR 2 1HE TYR 2 -9.002 9.614 -2.766 19 HE2 TYR 2 2HE TYR 2 -9.803 8.358 -6.765 20 HH TYR 2 HH TYR 2 -11.170 9.678 -3.982 21 H LYS 3 H LYS 3 -6.624 3.567 -3.833 22 HA LYS 3 HA LYS 3 -4.402 2.001 -3.237 23 1HB LYS 3 2HB LYS 3 -6.918 1.392 -3.740 24 2HB LYS 3 1HB LYS 3 -6.308 1.126 -5.368 25 1HG LYS 3 2HG LYS 3 -4.594 -0.148 -3.449 26 2HG LYS 3 1HG LYS 3 -6.268 -0.654 -3.209 27 1HD LYS 3 2HD LYS 3 -5.366 -0.568 -6.010 28 2HD LYS 3 1HD LYS 3 -4.572 -1.778 -5.000 29 1HE LYS 3 2HE LYS 3 -6.830 -2.564 -4.293 30 2HE LYS 3 1HE LYS 3 -7.532 -1.451 -5.466 31 1HZ LYS 3 1HZ LYS 3 -7.430 -3.351 -6.695 32 2HZ LYS 3 2HZ LYS 3 -6.042 -3.933 -5.921 33 3HZ LYS 3 3HZ LYS 3 -5.914 -2.702 -7.075 34 H LYS 4 H LYS 4 -5.182 3.789 -6.112 35 HA LYS 4 HA LYS 4 -3.585 2.469 -7.984 36 1HB LYS 4 2HB LYS 4 -5.249 4.257 -8.495 37 2HB LYS 4 1HB LYS 4 -4.123 5.439 -7.843 38 1HG LYS 4 2HG LYS 4 -2.760 5.347 -9.651 39 2HG LYS 4 1HG LYS 4 -3.109 3.646 -9.967 40 1HD LYS 4 2HD LYS 4 -5.496 4.570 -10.549 41 2HD LYS 4 1HD LYS 4 -4.621 6.084 -10.788 42 1HE LYS 4 2HE LYS 4 -4.416 5.256 -12.889 43 2HE LYS 4 1HE LYS 4 -3.018 4.460 -12.168 44 1HZ LYS 4 1HZ LYS 4 -4.536 3.004 -13.507 45 2HZ LYS 4 2HZ LYS 4 -5.696 3.197 -12.292 46 3HZ LYS 4 3HZ LYS 4 -4.215 2.459 -11.937 47 H ASP 5 H ASP 5 -2.790 5.230 -5.883 48 HA ASP 5 HA ASP 5 -0.144 5.568 -6.712 49 1HB ASP 5 2HB ASP 5 -1.670 6.265 -4.236 50 2HB ASP 5 1HB ASP 5 0.083 6.444 -4.229 51 H VAL 6 H VAL 6 -1.462 3.606 -4.057 52 HA VAL 6 HA VAL 6 0.923 2.668 -3.006 53 HB VAL 6 HB VAL 6 -1.526 0.939 -3.155 54 1HG1 VAL 6 1HG1 VAL 6 0.017 -0.189 -1.928 55 2HG1 VAL 6 2HG1 VAL 6 -0.709 0.782 -0.648 56 3HG1 VAL 6 3HG1 VAL 6 0.813 1.284 -1.380 57 1HG2 VAL 6 1HG2 VAL 6 -2.658 2.824 -2.525 58 2HG2 VAL 6 2HG2 VAL 6 -1.235 3.572 -1.803 59 3HG2 VAL 6 3HG2 VAL 6 -2.086 2.285 -0.949 60 H ILE 7 H ILE 7 -1.183 1.159 -5.452 61 HA ILE 7 HA ILE 7 0.407 -1.094 -5.933 62 HB ILE 7 HB ILE 7 -1.541 0.346 -7.734 63 1HG1 ILE 7 2HG1 ILE 7 -1.764 -2.175 -6.076 64 2HG1 ILE 7 1HG1 ILE 7 -2.523 -0.628 -5.718 65 1HG2 ILE 7 1HG2 ILE 7 -0.157 -2.295 -8.150 66 2HG2 ILE 7 2HG2 ILE 7 -0.049 -0.857 -9.164 67 3HG2 ILE 7 3HG2 ILE 7 -1.564 -1.755 -9.065 68 1HD1 ILE 7 1HD1 ILE 7 -4.041 -0.837 -7.471 69 2HD1 ILE 7 2HD1 ILE 7 -3.956 -2.454 -6.771 70 3HD1 ILE 7 3HD1 ILE 7 -3.092 -2.094 -8.265 71 H ASP 8 H ASP 8 0.681 2.185 -7.060 72 HA ASP 8 HA ASP 8 2.468 1.601 -9.220 73 1HB ASP 8 2HB ASP 8 1.014 3.854 -8.317 74 2HB ASP 8 1HB ASP 8 2.714 4.313 -8.297 75 H HIS 9 H HIS 9 2.752 2.204 -5.823 76 HA HIS 9 HA HIS 9 5.592 2.728 -5.964 77 1HB HIS 9 2HB HIS 9 4.359 3.926 -4.274 78 2HB HIS 9 1HB HIS 9 3.695 2.429 -3.630 79 HD1 HIS 9 1HD HIS 9 6.634 4.658 -3.436 80 HD2 HIS 9 2HD HIS 9 5.566 0.855 -2.144 81 HE1 HIS 9 1HE HIS 9 8.350 4.027 -1.707 82 HE2 HIS 9 2HE HIS 9 7.633 1.760 -0.879 83 H PHE 10 H PHE 10 3.426 0.090 -5.229 84 HA PHE 10 HA PHE 10 5.617 -1.625 -4.358 85 1HB PHE 10 2HB PHE 10 2.628 -1.893 -4.408 86 2HB PHE 10 1HB PHE 10 3.645 -3.313 -4.203 87 HD1 PHE 10 1HD PHE 10 2.344 -0.306 -2.656 88 HD2 PHE 10 2HD PHE 10 5.085 -3.529 -2.233 89 HE1 PHE 10 1HE PHE 10 2.533 0.180 -0.253 90 HE2 PHE 10 2HE PHE 10 5.280 -3.054 0.176 91 HZ PHE 10 HZ PHE 10 4.003 -1.194 1.168 92 H GLY 11 H GLY 11 3.464 -1.162 -7.086 93 1HA GLY 11 2HA GLY 11 3.968 -1.802 -9.296 94 2HA GLY 11 1HA GLY 11 5.155 -2.939 -8.672 95 H THR 12 H THR 12 3.679 -4.399 -6.890 96 HA THR 12 HA THR 12 1.433 -5.476 -8.445 97 HB THR 12 HB THR 12 2.413 -7.772 -7.491 98 HG1 THR 12 1HG THR 12 4.262 -7.111 -6.576 99 1HG2 THR 12 1HG2 THR 12 3.897 -7.771 -9.691 100 2HG2 THR 12 2HG2 THR 12 2.908 -6.353 -10.032 101 3HG2 THR 12 3HG2 THR 12 2.140 -7.910 -9.728 102 H GLN 13 H GLN 13 -0.177 -6.509 -7.226 103 HA GLN 13 HA GLN 13 -0.729 -5.436 -4.724 104 1HB GLN 13 2HB GLN 13 -1.796 -8.074 -5.725 105 2HB GLN 13 1HB GLN 13 -2.573 -6.958 -4.610 106 1HG GLN 13 2HG GLN 13 -2.541 -5.289 -6.540 107 2HG GLN 13 1HG GLN 13 -2.172 -6.674 -7.566 108 1HE2 GLN 13 1HE2 GLN 13 -3.684 -8.618 -7.006 109 2HE2 GLN 13 2HE2 GLN 13 -5.366 -8.228 -6.958 110 H ARG 14 H ARG 14 0.444 -8.705 -5.508 111 HA ARG 14 HA ARG 14 0.595 -9.837 -3.034 112 1HB ARG 14 2HB ARG 14 1.695 -10.355 -5.578 113 2HB ARG 14 1HB ARG 14 3.032 -10.442 -4.442 114 1HG ARG 14 2HG ARG 14 2.370 -12.568 -4.208 115 2HG ARG 14 1HG ARG 14 1.170 -11.877 -3.117 116 1HD ARG 14 2HD ARG 14 0.091 -13.387 -4.659 117 2HD ARG 14 1HD ARG 14 -0.418 -11.737 -4.999 118 HE ARG 14 HE ARG 14 1.339 -13.399 -6.647 119 1HH1 ARG 14 1HH1 ARG 14 -0.365 -10.379 -6.195 120 2HH1 ARG 14 2HH1 ARG 14 -0.206 -9.904 -7.851 121 1HH2 ARG 14 1HH2 ARG 14 1.547 -12.766 -8.819 122 2HH2 ARG 14 2HH2 ARG 14 0.878 -11.255 -9.339 123 H ALA 15 H ALA 15 2.859 -7.516 -4.430 124 HA ALA 15 HA ALA 15 4.861 -7.662 -2.481 125 1HB ALA 15 1HB ALA 15 5.833 -6.061 -3.695 126 2HB ALA 15 2HB ALA 15 4.454 -4.976 -3.524 127 3HB ALA 15 3HB ALA 15 4.454 -6.209 -4.784 128 H VAL 16 H VAL 16 2.092 -5.439 -2.718 129 HA VAL 16 HA VAL 16 2.533 -3.988 -0.398 130 HB VAL 16 HB VAL 16 -0.298 -4.616 -1.036 131 1HG1 VAL 16 1HG1 VAL 16 -0.651 -2.402 -0.494 132 2HG1 VAL 16 2HG1 VAL 16 0.986 -1.927 -0.946 133 3HG1 VAL 16 3HG1 VAL 16 0.709 -2.830 0.542 134 1HG2 VAL 16 1HG2 VAL 16 0.357 -4.623 -3.274 135 2HG2 VAL 16 2HG2 VAL 16 1.609 -3.409 -3.011 136 3HG2 VAL 16 3HG2 VAL 16 -0.090 -2.941 -2.987 137 H ALA 17 H ALA 17 0.710 -7.000 -0.844 138 HA ALA 17 HA ALA 17 -0.169 -7.224 1.831 139 1HB ALA 17 1HB ALA 17 -1.175 -9.127 1.162 140 2HB ALA 17 2HB ALA 17 0.262 -9.722 0.330 141 3HB ALA 17 3HB ALA 17 -0.775 -8.525 -0.447 142 H LYS 18 H LYS 18 2.804 -8.078 0.227 143 HA LYS 18 HA LYS 18 3.743 -9.641 2.494 144 1HB LYS 18 2HB LYS 18 4.408 -9.440 -0.299 145 2HB LYS 18 1HB LYS 18 5.856 -9.221 0.674 146 1HG LYS 18 2HG LYS 18 3.982 -11.509 1.153 147 2HG LYS 18 1HG LYS 18 5.254 -11.588 -0.067 148 1HD LYS 18 2HD LYS 18 6.293 -10.585 2.429 149 2HD LYS 18 1HD LYS 18 5.485 -12.136 2.668 150 1HE LYS 18 2HE LYS 18 6.889 -12.654 0.420 151 2HE LYS 18 1HE LYS 18 7.956 -11.485 1.196 152 1HZ LYS 18 1HZ LYS 18 8.696 -13.407 2.133 153 2HZ LYS 18 2HZ LYS 18 7.189 -14.171 2.074 154 3HZ LYS 18 3HZ LYS 18 7.502 -13.009 3.262 155 H ALA 19 H ALA 19 3.228 -6.656 2.602 156 HA ALA 19 HA ALA 19 5.858 -5.933 3.699 157 1HB ALA 19 1HB ALA 19 4.249 -4.490 1.683 158 2HB ALA 19 2HB ALA 19 5.996 -4.538 1.922 159 3HB ALA 19 3HB ALA 19 4.994 -3.511 2.948 160 H LEU 20 H LEU 20 2.390 -5.169 3.638 161 HA LEU 20 HA LEU 20 2.514 -3.779 6.159 162 1HB LEU 20 2HB LEU 20 0.104 -4.703 4.594 163 2HB LEU 20 1HB LEU 20 0.095 -3.563 5.927 164 HG LEU 20 HG LEU 20 1.659 -3.001 3.425 165 1HD1 LEU 20 1HD1 LEU 20 -0.536 -1.520 3.051 166 2HD1 LEU 20 2HD1 LEU 20 -1.266 -2.925 3.825 167 3HD1 LEU 20 3HD1 LEU 20 -0.324 -3.123 2.349 168 1HD2 LEU 20 1HD2 LEU 20 0.355 -1.153 5.415 169 2HD2 LEU 20 2HD2 LEU 20 1.486 -0.725 4.131 170 3HD2 LEU 20 3HD2 LEU 20 2.035 -1.678 5.508 171 H GLY 21 H GLY 21 1.722 -6.992 5.036 172 1HA GLY 21 2HA GLY 21 2.012 -8.834 6.586 173 2HA GLY 21 1HA GLY 21 1.363 -7.801 7.851 174 H ILE 22 H ILE 22 -0.070 -7.916 4.674 175 HA ILE 22 HA ILE 22 -2.373 -9.356 5.825 176 HB ILE 22 HB ILE 22 -3.784 -8.147 4.193 177 1HG1 ILE 22 2HG1 ILE 22 -1.300 -6.498 3.679 178 2HG1 ILE 22 1HG1 ILE 22 -1.971 -7.676 2.554 179 1HG2 ILE 22 1HG2 ILE 22 -4.039 -7.061 6.151 180 2HG2 ILE 22 2HG2 ILE 22 -3.176 -5.775 5.309 181 3HG2 ILE 22 3HG2 ILE 22 -2.305 -6.860 6.390 182 1HD1 ILE 22 1HD1 ILE 22 -3.611 -6.295 1.887 183 2HD1 ILE 22 2HD1 ILE 22 -2.507 -5.050 2.474 184 3HD1 ILE 22 3HD1 ILE 22 -3.834 -5.605 3.494 185 H SER 23 H SER 23 -3.831 -10.101 3.803 186 HA SER 23 HA SER 23 -2.131 -11.968 2.357 187 1HB SER 23 2HB SER 23 -4.340 -12.557 3.574 188 2HB SER 23 1HB SER 23 -5.131 -11.861 2.159 189 HG SER 23 HG SER 23 -4.058 -13.382 0.875 190 H ASP 24 H ASP 24 -2.531 -12.380 0.047 191 HA ASP 24 HA ASP 24 -2.210 -10.066 -1.495 192 1HB ASP 24 2HB ASP 24 -3.148 -12.743 -2.537 193 2HB ASP 24 1HB ASP 24 -2.258 -11.503 -3.416 194 H ALA 25 H ALA 25 -5.064 -11.868 -0.605 195 HA ALA 25 HA ALA 25 -6.807 -10.708 -2.534 196 1HB ALA 25 1HB ALA 25 -6.978 -12.709 -0.559 197 2HB ALA 25 2HB ALA 25 -8.176 -12.285 -1.782 198 3HB ALA 25 3HB ALA 25 -8.232 -11.524 -0.191 199 H ALA 26 H ALA 26 -5.781 -9.827 0.698 200 HA ALA 26 HA ALA 26 -7.742 -7.931 1.313 201 1HB ALA 26 1HB ALA 26 -6.095 -8.807 2.926 202 2HB ALA 26 2HB ALA 26 -6.170 -7.045 2.925 203 3HB ALA 26 3HB ALA 26 -4.836 -7.870 2.120 204 H VAL 27 H VAL 27 -4.671 -7.582 -0.421 205 HA VAL 27 HA VAL 27 -4.821 -4.779 -0.760 206 HB VAL 27 HB VAL 27 -3.386 -6.767 -2.527 207 1HG1 VAL 27 1HG1 VAL 27 -1.905 -4.877 -3.032 208 2HG1 VAL 27 2HG1 VAL 27 -2.922 -3.823 -2.051 209 3HG1 VAL 27 3HG1 VAL 27 -3.568 -4.554 -3.521 210 1HG2 VAL 27 1HG2 VAL 27 -2.484 -5.387 -0.002 211 2HG2 VAL 27 2HG2 VAL 27 -1.419 -6.266 -1.099 212 3HG2 VAL 27 3HG2 VAL 27 -2.706 -7.120 -0.247 213 H SER 28 H SER 28 -5.691 -7.480 -2.907 214 HA SER 28 HA SER 28 -6.603 -5.849 -5.032 215 1HB SER 28 2HB SER 28 -7.316 -7.835 -6.063 216 2HB SER 28 1HB SER 28 -5.965 -8.355 -5.057 217 HG SER 28 HG SER 28 -7.670 -8.821 -3.436 218 H GLN 29 H GLN 29 -8.093 -7.040 -2.119 219 HA GLN 29 HA GLN 29 -10.790 -6.560 -2.915 220 1HB GLN 29 2HB GLN 29 -9.395 -7.236 -0.371 221 2HB GLN 29 1HB GLN 29 -11.010 -6.551 -0.264 222 1HG GLN 29 2HG GLN 29 -11.930 -8.340 -1.527 223 2HG GLN 29 1HG GLN 29 -10.340 -8.959 -1.933 224 1HE2 GLN 29 1HE2 GLN 29 -12.610 -10.236 -0.578 225 2HE2 GLN 29 2HE2 GLN 29 -12.000 -10.798 0.935 226 H TRP 30 H TRP 30 -8.240 -4.540 -1.824 227 HA TRP 30 HA TRP 30 -9.535 -2.528 -0.445 228 1HB TRP 30 2HB TRP 30 -7.193 -2.469 -2.334 229 2HB TRP 30 1HB TRP 30 -7.766 -1.007 -1.541 230 HD1 TRP 30 HD TRP 30 -8.396 -3.106 1.150 231 HE1 TRP 30 1HE TRP 30 -6.385 -3.434 2.722 232 HE3 TRP 30 3HE TRP 30 -4.662 -1.536 -1.970 233 HZ2 TRP 30 2HZ TRP 30 -3.584 -3.078 2.646 234 HZ3 TRP 30 3HZ TRP 30 -2.345 -1.560 -1.143 235 HH2 TRP 30 HH TRP 30 -1.820 -2.314 1.118 236 H LYS 31 H LYS 31 -10.280 -0.431 -1.115 237 HA LYS 31 HA LYS 31 -11.640 -0.523 -3.720 238 1HB LYS 31 2HB LYS 31 -12.420 0.414 -1.043 239 2HB LYS 31 1HB LYS 31 -12.840 1.516 -2.343 240 1HG LYS 31 2HG LYS 31 -13.500 -1.306 -2.830 241 2HG LYS 31 1HG LYS 31 -14.390 -0.534 -1.515 242 1HD LYS 31 2HD LYS 31 -15.100 1.240 -3.013 243 2HD LYS 31 1HD LYS 31 -14.160 0.535 -4.329 244 1HE LYS 31 2HE LYS 31 -16.400 -0.149 -4.684 245 2HE LYS 31 1HE LYS 31 -15.550 -1.554 -4.034 246 1HZ LYS 31 1HZ LYS 31 -16.580 -1.313 -1.978 247 2HZ LYS 31 2HZ LYS 31 -17.820 -0.985 -3.076 248 3HZ LYS 31 3HZ LYS 31 -17.050 0.285 -2.274 249 H GLU 32 H GLU 32 -12.280 2.085 -4.106 250 HA GLU 32 HA GLU 32 -10.110 3.195 -5.349 251 1HB GLU 32 2HB GLU 32 -12.770 3.966 -4.816 252 2HB GLU 32 1HB GLU 32 -11.760 5.321 -4.334 253 1HG GLU 32 2HG GLU 32 -11.110 5.768 -6.453 254 2HG GLU 32 1HG GLU 32 -11.170 4.077 -6.946 255 H VAL 33 H VAL 33 -10.950 3.335 -1.976 256 HA VAL 33 HA VAL 33 -8.516 4.917 -1.481 257 HB VAL 33 HB VAL 33 -11.030 5.054 0.186 258 1HG1 VAL 33 1HG1 VAL 33 -8.500 5.582 0.969 259 2HG1 VAL 33 2HG1 VAL 33 -9.926 6.391 1.621 260 3HG1 VAL 33 3HG1 VAL 33 -8.982 7.159 0.343 261 1HG2 VAL 33 1HG2 VAL 33 -10.770 6.141 -2.291 262 2HG2 VAL 33 2HG2 VAL 33 -10.160 7.449 -1.277 263 3HG2 VAL 33 3HG2 VAL 33 -11.780 6.805 -1.007 264 H ILE 34 H ILE 34 -7.055 3.777 -0.399 265 HA ILE 34 HA ILE 34 -7.440 1.226 0.635 266 HB ILE 34 HB ILE 34 -5.284 1.512 1.794 267 1HG1 ILE 34 2HG1 ILE 34 -5.394 4.363 0.793 268 2HG1 ILE 34 1HG1 ILE 34 -5.670 3.886 2.466 269 1HG2 ILE 34 1HG2 ILE 34 -4.813 0.855 -0.321 270 2HG2 ILE 34 2HG2 ILE 34 -4.074 2.456 -0.384 271 3HG2 ILE 34 3HG2 ILE 34 -5.686 2.202 -1.053 272 1HD1 ILE 34 1HD1 ILE 34 -3.127 3.458 0.919 273 2HD1 ILE 34 2HD1 ILE 34 -3.409 3.016 2.601 274 3HD1 ILE 34 3HD1 ILE 34 -3.409 4.714 2.125 275 HA PRO 35 HA PRO 35 -9.305 1.463 4.612 276 1HB PRO 35 2HB PRO 35 -6.917 0.047 5.693 277 2HB PRO 35 1HB PRO 35 -8.629 -0.365 5.834 278 1HG PRO 35 2HG PRO 35 -7.052 -1.714 4.174 279 2HG PRO 35 1HG PRO 35 -8.714 -1.301 3.711 280 1HD PRO 35 2HD PRO 35 -6.138 -0.056 2.847 281 2HD PRO 35 1HD PRO 35 -7.618 -0.356 1.911 282 H GLU 36 H GLU 36 -8.547 1.845 7.059 283 HA GLU 36 HA GLU 36 -7.164 4.404 7.004 284 1HB GLU 36 2HB GLU 36 -9.284 4.277 8.196 285 2HB GLU 36 1HB GLU 36 -8.662 2.989 9.217 286 1HG GLU 36 2HG GLU 36 -7.106 4.476 10.259 287 2HG GLU 36 1HG GLU 36 -7.510 5.766 9.126 288 H LYS 37 H LYS 37 -6.845 1.220 8.519 289 HA LYS 37 HA LYS 37 -4.446 1.974 9.928 290 1HB LYS 37 2HB LYS 37 -5.845 -0.676 9.563 291 2HB LYS 37 1HB LYS 37 -4.374 -0.479 10.506 292 1HG LYS 37 2HG LYS 37 -5.657 1.256 11.851 293 2HG LYS 37 1HG LYS 37 -7.105 0.629 11.059 294 1HD LYS 37 2HD LYS 37 -6.896 -0.508 13.140 295 2HD LYS 37 1HD LYS 37 -6.442 -1.652 11.876 296 1HE LYS 37 2HE LYS 37 -4.460 -1.951 12.830 297 2HE LYS 37 1HE LYS 37 -4.113 -0.227 12.692 298 1HZ LYS 37 1HZ LYS 37 -5.887 -1.004 14.859 299 2HZ LYS 37 2HZ LYS 37 -4.641 0.139 14.836 300 3HZ LYS 37 3HZ LYS 37 -4.279 -1.504 15.011 301 H ASP 38 H ASP 38 -5.181 0.804 6.798 302 HA ASP 38 HA ASP 38 -2.644 -0.491 6.370 303 1HB ASP 38 2HB ASP 38 -5.116 -0.064 4.839 304 2HB ASP 38 1HB ASP 38 -3.653 -0.003 3.860 305 H ALA 39 H ALA 39 -4.170 2.553 5.360 306 HA ALA 39 HA ALA 39 -2.060 3.591 3.866 307 1HB ALA 39 1HB ALA 39 -3.116 5.700 4.057 308 2HB ALA 39 2HB ALA 39 -3.900 5.250 5.571 309 3HB ALA 39 3HB ALA 39 -4.409 4.501 4.059 310 H TYR 40 H TYR 40 -2.457 3.274 7.301 311 HA TYR 40 HA TYR 40 -0.460 5.202 8.014 312 1HB TYR 40 2HB TYR 40 -2.241 4.627 9.582 313 2HB TYR 40 1HB TYR 40 -1.702 2.947 9.607 314 HD1 TYR 40 1HD TYR 40 -0.204 6.336 10.124 315 HD2 TYR 40 2HD TYR 40 -0.506 2.312 11.463 316 HE1 TYR 40 1HE TYR 40 1.299 6.857 11.996 317 HE2 TYR 40 2HE TYR 40 0.995 2.820 13.345 318 HH TYR 40 HH TYR 40 1.566 5.244 14.644 319 H ARG 41 H ARG 41 -0.558 1.648 7.908 320 HA ARG 41 HA ARG 41 2.151 1.289 8.647 321 1HB ARG 41 2HB ARG 41 0.012 -0.439 7.494 322 2HB ARG 41 1HB ARG 41 1.673 -1.011 7.413 323 1HG ARG 41 2HG ARG 41 1.769 -1.438 9.614 324 2HG ARG 41 1HG ARG 41 0.833 -0.006 10.041 325 1HD ARG 41 2HD ARG 41 -1.207 -1.198 9.219 326 2HD ARG 41 1HD ARG 41 -0.216 -2.645 9.030 327 HE ARG 41 HE ARG 41 -0.369 -2.974 11.278 328 1HH1 ARG 41 1HH1 ARG 41 -1.108 0.370 10.610 329 2HH1 ARG 41 2HH1 ARG 41 -1.546 0.731 12.244 330 1HH2 ARG 41 1HH2 ARG 41 -0.944 -2.502 13.431 331 2HH2 ARG 41 2HH2 ARG 41 -1.450 -0.899 13.848 332 H LEU 42 H LEU 42 0.551 1.834 5.594 333 HA LEU 42 HA LEU 42 2.527 0.950 3.834 334 1HB LEU 42 2HB LEU 42 0.480 3.144 3.609 335 2HB LEU 42 1HB LEU 42 1.550 2.726 2.285 336 HG LEU 42 HG LEU 42 -0.112 0.583 3.542 337 1HD1 LEU 42 1HD1 LEU 42 -1.118 2.913 2.082 338 2HD1 LEU 42 2HD1 LEU 42 -1.969 1.753 3.101 339 3HD1 LEU 42 3HD1 LEU 42 -1.624 1.361 1.416 340 1HD2 LEU 42 1HD2 LEU 42 1.163 1.102 0.880 341 2HD2 LEU 42 2HD2 LEU 42 -0.114 -0.099 1.066 342 3HD2 LEU 42 3HD2 LEU 42 1.390 -0.264 1.973 343 H GLU 43 H GLU 43 2.166 4.031 5.518 344 HA GLU 43 HA GLU 43 4.275 5.371 4.194 345 1HB GLU 43 2HB GLU 43 2.358 6.004 6.146 346 2HB GLU 43 1HB GLU 43 3.915 6.298 6.906 347 1HG GLU 43 2HG GLU 43 4.150 7.410 4.372 348 2HG GLU 43 1HG GLU 43 2.521 7.829 4.900 349 H ILE 44 H ILE 44 4.281 2.916 6.576 350 HA ILE 44 HA ILE 44 6.935 3.601 7.562 351 HB ILE 44 HB ILE 44 5.285 1.168 8.232 352 1HG1 ILE 44 2HG1 ILE 44 5.176 3.981 9.210 353 2HG1 ILE 44 1HG1 ILE 44 3.881 2.805 9.031 354 1HG2 ILE 44 1HG2 ILE 44 6.757 0.816 10.014 355 2HG2 ILE 44 2HG2 ILE 44 7.418 2.447 9.912 356 3HG2 ILE 44 3HG2 ILE 44 7.810 1.257 8.670 357 1HD1 ILE 44 1HD1 ILE 44 5.945 2.852 11.216 358 2HD1 ILE 44 2HD1 ILE 44 4.664 1.652 11.041 359 3HD1 ILE 44 3HD1 ILE 44 4.255 3.339 11.359 360 H VAL 45 H VAL 45 5.339 0.947 5.828 361 HA VAL 45 HA VAL 45 7.621 -0.622 5.383 362 HB VAL 45 HB VAL 45 6.327 -1.609 3.485 363 1HG1 VAL 45 1HG1 VAL 45 5.395 -1.422 6.281 364 2HG1 VAL 45 2HG1 VAL 45 5.865 -2.832 5.332 365 3HG1 VAL 45 3HG1 VAL 45 4.264 -2.121 5.122 366 1HG2 VAL 45 1HG2 VAL 45 3.874 -0.858 3.434 367 2HG2 VAL 45 2HG2 VAL 45 5.065 0.142 2.603 368 3HG2 VAL 45 3HG2 VAL 45 4.456 0.626 4.185 369 H THR 46 H THR 46 6.128 1.921 3.430 370 HA THR 46 HA THR 46 8.047 1.679 1.317 371 HB THR 46 HB THR 46 6.897 3.654 0.397 372 HG1 THR 46 1HG THR 46 5.078 4.447 1.556 373 1HG2 THR 46 1HG2 THR 46 5.935 1.319 0.166 374 2HG2 THR 46 2HG2 THR 46 4.840 2.673 -0.108 375 3HG2 THR 46 3HG2 THR 46 4.790 1.793 1.420 376 H ALA 47 H ALA 47 8.487 2.787 4.331 377 HA ALA 47 HA ALA 47 10.062 4.096 5.316 378 1HB ALA 47 1HB ALA 47 11.304 3.186 3.123 379 2HB ALA 47 2HB ALA 47 12.059 4.292 4.271 380 3HB ALA 47 3HB ALA 47 11.344 4.917 2.785 381 H GLY 48 H GLY 48 7.535 5.198 4.344 382 1HA GLY 48 2HA GLY 48 6.575 7.296 4.585 383 2HA GLY 48 1HA GLY 48 8.187 7.986 4.711 384 H ALA 49 H ALA 49 7.329 5.933 2.033 385 HA ALA 49 HA ALA 49 8.042 7.916 0.133 386 1HB ALA 49 1HB ALA 49 8.004 5.269 0.013 387 2HB ALA 49 2HB ALA 49 7.871 6.270 -1.435 388 3HB ALA 49 3HB ALA 49 6.422 5.574 -0.707 389 H LEU 50 H LEU 50 4.973 6.730 1.383 390 HA LEU 50 HA LEU 50 3.535 8.611 -0.350 391 1HB LEU 50 2HB LEU 50 2.477 6.368 1.373 392 2HB LEU 50 1HB LEU 50 1.511 7.387 0.324 393 HG LEU 50 HG LEU 50 3.752 5.709 -0.769 394 1HD1 LEU 50 1HD1 LEU 50 2.509 4.011 0.169 395 2HD1 LEU 50 2HD1 LEU 50 1.755 4.170 -1.416 396 3HD1 LEU 50 3HD1 LEU 50 0.988 4.885 0.002 397 1HD2 LEU 50 1HD2 LEU 50 2.354 5.855 -2.816 398 2HD2 LEU 50 2HD2 LEU 50 2.939 7.419 -2.247 399 3HD2 LEU 50 3HD2 LEU 50 1.266 6.940 -1.950 400 H LYS 51 H LYS 51 1.347 9.273 0.963 401 HA LYS 51 HA LYS 51 2.229 10.394 3.537 402 1HB LYS 51 2HB LYS 51 1.564 11.809 1.135 403 2HB LYS 51 1HB LYS 51 0.364 12.183 2.365 404 1HG LYS 51 2HG LYS 51 3.346 12.459 2.692 405 2HG LYS 51 1HG LYS 51 2.216 13.775 2.369 406 1HD LYS 51 2HD LYS 51 1.023 12.811 4.520 407 2HD LYS 51 1HD LYS 51 2.644 12.200 4.859 408 1HE LYS 51 2HE LYS 51 3.248 14.725 4.185 409 2HE LYS 51 1HE LYS 51 1.623 14.975 4.821 410 1HZ LYS 51 1HZ LYS 51 2.301 13.892 6.873 411 2HZ LYS 51 2HZ LYS 51 3.295 15.221 6.545 412 3HZ LYS 51 3HZ LYS 51 3.859 13.651 6.262 413 H TYR 52 H TYR 52 1.039 9.365 5.012 414 HA TYR 52 HA TYR 52 -1.591 8.376 4.478 415 1HB TYR 52 2HB TYR 52 -0.219 7.145 6.016 416 2HB TYR 52 1HB TYR 52 0.037 8.569 7.017 417 HD1 TYR 52 1HD TYR 52 -0.813 7.879 9.087 418 HD2 TYR 52 2HD TYR 52 -3.185 7.357 5.591 419 HE1 TYR 52 1HE TYR 52 -2.731 7.241 10.486 420 HE2 TYR 52 2HE TYR 52 -5.100 6.716 6.981 421 HH TYR 52 HH TYR 52 -5.470 5.749 9.285 422 H GLN 53 H GLN 53 -3.470 9.385 4.700 423 HA GLN 53 HA GLN 53 -3.595 11.780 6.404 424 1HB GLN 53 2HB GLN 53 -4.912 11.442 3.701 425 2HB GLN 53 1HB GLN 53 -5.096 12.831 4.763 426 1HG GLN 53 2HG GLN 53 -2.494 12.947 4.577 427 2HG GLN 53 1HG GLN 53 -2.763 12.004 3.112 428 1HE2 GLN 53 1HE2 GLN 53 -2.230 13.531 1.639 429 2HE2 GLN 53 2HE2 GLN 53 -3.104 15.005 1.416 430 H GLU 54 H GLU 54 -5.043 11.554 7.961 431 HA GLU 54 HA GLU 54 -6.995 9.423 7.834 432 1HB GLU 54 2HB GLU 54 -7.484 10.037 10.168 433 2HB GLU 54 1HB GLU 54 -5.768 9.760 9.903 434 1HG GLU 54 2HG GLU 54 -5.334 12.120 9.882 435 2HG GLU 54 1HG GLU 54 -7.059 12.476 9.964 436 H ASN 55 H ASN 55 -7.196 12.028 6.207 437 HA ASN 55 HA ASN 55 -9.360 13.524 7.168 438 1HB ASN 55 2HB ASN 55 -7.702 13.770 5.043 439 2HB ASN 55 1HB ASN 55 -9.154 13.187 4.233 440 1HD2 ASN 55 1HD2 ASN 55 -8.517 15.401 6.936 441 2HD2 ASN 55 2HD2 ASN 55 -9.449 16.711 6.303 442 H ALA 56 H ALA 56 -9.481 11.233 4.441 443 HA ALA 56 HA ALA 56 -12.300 10.912 4.649 444 1HB ALA 56 1HB ALA 56 -10.520 10.477 2.670 445 2HB ALA 56 2HB ALA 56 -12.140 9.789 2.698 446 3HB ALA 56 3HB ALA 56 -10.770 8.826 3.238 447 H TYR 57 H TYR 57 -9.711 9.599 6.380 448 HA TYR 57 HA TYR 57 -11.150 7.159 7.089 449 1HB TYR 57 2HB TYR 57 -8.403 8.017 7.984 450 2HB TYR 57 1HB TYR 57 -9.112 6.410 8.103 451 HD1 TYR 57 1HD TYR 57 -10.210 5.906 5.497 452 HD2 TYR 57 2HD TYR 57 -6.602 7.913 6.521 453 HE1 TYR 57 1HE TYR 57 -9.270 5.315 3.305 454 HE2 TYR 57 2HE TYR 57 -5.651 7.328 4.331 455 HH TYR 57 HH TYR 57 -5.926 5.829 2.543 456 H ARG 58 H ARG 58 -11.970 9.889 7.943 457 HA ARG 58 HA ARG 58 -11.570 9.703 10.843 458 1HB ARG 58 2HB ARG 58 -11.180 11.868 9.467 459 2HB ARG 58 1HB ARG 58 -12.940 11.982 9.449 460 1HG ARG 58 2HG ARG 58 -12.870 11.852 11.955 461 2HG ARG 58 1HG ARG 58 -11.120 12.019 11.840 462 1HD ARG 58 2HD ARG 58 -11.600 14.217 12.026 463 2HD ARG 58 1HD ARG 58 -11.880 14.078 10.290 464 HE ARG 58 HE ARG 58 -14.120 14.402 10.653 465 1HH1 ARG 58 1HH1 ARG 58 -12.560 13.697 13.697 466 2HH1 ARG 58 2HH1 ARG 58 -13.960 14.072 14.642 467 1HH2 ARG 58 1HH2 ARG 58 -15.960 14.895 11.894 468 2HH2 ARG 58 2HH2 ARG 58 -15.890 14.751 13.619 469 H GLN 59 H GLN 59 -14.210 10.432 8.561 470 HA GLN 59 HA GLN 59 -16.090 9.271 10.507 471 1HB GLN 59 2HB GLN 59 -16.210 11.738 9.435 472 2HB GLN 59 1HB GLN 59 -17.120 10.851 8.218 473 1HG GLN 59 2HG GLN 59 -18.890 11.117 9.512 474 2HG GLN 59 1HG GLN 59 -18.160 9.952 10.614 475 1HE2 GLN 59 1HE2 GLN 59 -17.990 13.406 9.814 476 2HE2 GLN 59 2HE2 GLN 59 -17.870 13.954 11.448 477 H ALA 60 H ALA 60 -17.460 7.644 9.917 478 HA ALA 60 HA ALA 60 -17.420 6.735 7.129 479 1HB ALA 60 1HB ALA 60 -15.760 5.523 8.778 480 2HB ALA 60 2HB ALA 60 -16.670 4.623 7.563 481 3HB ALA 60 3HB ALA 60 -17.220 4.649 9.238 482 H ALA 61 H ALA 61 -18.810 6.235 10.362 483 HA ALA 61 HA ALA 61 -21.230 5.085 9.297 484 1HB ALA 61 1HB ALA 61 -20.800 4.190 11.361 485 2HB ALA 61 2HB ALA 61 -21.920 5.472 11.804 486 3HB ALA 61 3HB ALA 61 -20.190 5.710 12.016 Start of MODEL 18 1 1H MET 1 1HT MET 1 -4.539 8.033 1.939 2 2H MET 1 2HT MET 1 -4.907 6.392 1.594 3 3H MET 1 3HT MET 1 -6.079 7.614 1.313 4 HA MET 1 HA MET 1 -4.770 8.564 -0.387 5 1HB MET 1 2HB MET 1 -2.685 7.276 -1.067 6 2HB MET 1 1HB MET 1 -2.572 8.207 0.421 7 1HG MET 1 2HG MET 1 -2.890 6.198 1.735 8 2HG MET 1 1HG MET 1 -3.094 5.246 0.265 9 1HE MET 1 1HE MET 1 -0.277 7.237 2.474 10 2HE MET 1 2HE MET 1 0.600 5.707 2.535 11 3HE MET 1 3HE MET 1 -1.105 5.768 2.987 12 H TYR 2 H TYR 2 -4.542 7.614 -2.594 13 HA TYR 2 HA TYR 2 -6.585 5.606 -2.971 14 1HB TYR 2 2HB TYR 2 -5.179 7.580 -4.667 15 2HB TYR 2 1HB TYR 2 -5.681 6.100 -5.478 16 HD1 TYR 2 1HD TYR 2 -7.571 6.532 -6.732 17 HD2 TYR 2 2HD TYR 2 -7.286 8.190 -2.825 18 HE1 TYR 2 1HE TYR 2 -9.853 7.423 -6.950 19 HE2 TYR 2 2HE TYR 2 -9.565 9.084 -3.031 20 HH TYR 2 HH TYR 2 -11.670 8.445 -4.426 21 H LYS 3 H LYS 3 -6.329 3.562 -3.743 22 HA LYS 3 HA LYS 3 -3.948 2.195 -3.228 23 1HB LYS 3 2HB LYS 3 -6.132 1.094 -3.272 24 2HB LYS 3 1HB LYS 3 -6.256 1.381 -5.002 25 1HG LYS 3 2HG LYS 3 -4.207 -0.017 -5.299 26 2HG LYS 3 1HG LYS 3 -4.308 -0.417 -3.583 27 1HD LYS 3 2HD LYS 3 -6.709 -1.160 -4.094 28 2HD LYS 3 1HD LYS 3 -6.221 -1.114 -5.790 29 1HE LYS 3 2HE LYS 3 -4.189 -2.538 -4.827 30 2HE LYS 3 1HE LYS 3 -5.400 -2.962 -3.620 31 1HZ LYS 3 1HZ LYS 3 -6.002 -3.152 -6.504 32 2HZ LYS 3 2HZ LYS 3 -6.754 -3.941 -5.211 33 3HZ LYS 3 3HZ LYS 3 -5.205 -4.410 -5.700 34 H LYS 4 H LYS 4 -4.997 3.922 -6.036 35 HA LYS 4 HA LYS 4 -3.541 2.706 -8.059 36 1HB LYS 4 2HB LYS 4 -5.206 4.623 -8.243 37 2HB LYS 4 1HB LYS 4 -3.881 5.691 -7.804 38 1HG LYS 4 2HG LYS 4 -3.388 5.819 -9.959 39 2HG LYS 4 1HG LYS 4 -2.864 4.137 -9.868 40 1HD LYS 4 2HD LYS 4 -4.430 3.737 -11.415 41 2HD LYS 4 1HD LYS 4 -5.592 3.909 -10.100 42 1HE LYS 4 2HE LYS 4 -6.308 5.306 -11.900 43 2HE LYS 4 1HE LYS 4 -5.702 6.347 -10.614 44 1HZ LYS 4 1HZ LYS 4 -4.086 5.523 -12.962 45 2HZ LYS 4 2HZ LYS 4 -3.688 6.690 -11.803 46 3HZ LYS 4 3HZ LYS 4 -4.957 6.971 -12.884 47 H ASP 5 H ASP 5 -2.493 5.031 -5.626 48 HA ASP 5 HA ASP 5 0.110 5.408 -6.734 49 1HB ASP 5 2HB ASP 5 -1.358 6.288 -4.340 50 2HB ASP 5 1HB ASP 5 0.376 6.104 -4.101 51 H VAL 6 H VAL 6 -1.138 3.515 -3.990 52 HA VAL 6 HA VAL 6 1.230 2.433 -3.084 53 HB VAL 6 HB VAL 6 -1.309 0.827 -3.175 54 1HG1 VAL 6 1HG1 VAL 6 -0.521 0.207 -0.894 55 2HG1 VAL 6 2HG1 VAL 6 0.947 1.129 -1.219 56 3HG1 VAL 6 3HG1 VAL 6 0.558 -0.284 -2.200 57 1HG2 VAL 6 1HG2 VAL 6 -2.224 2.841 -2.473 58 2HG2 VAL 6 2HG2 VAL 6 -0.755 3.330 -1.629 59 3HG2 VAL 6 3HG2 VAL 6 -1.784 2.071 -0.949 60 H ILE 7 H ILE 7 -1.074 0.925 -5.358 61 HA ILE 7 HA ILE 7 0.460 -1.312 -5.984 62 HB ILE 7 HB ILE 7 -1.607 0.163 -7.612 63 1HG1 ILE 7 2HG1 ILE 7 -1.671 -2.408 -6.017 64 2HG1 ILE 7 1HG1 ILE 7 -2.436 -0.887 -5.573 65 1HG2 ILE 7 1HG2 ILE 7 -1.714 -1.886 -9.018 66 2HG2 ILE 7 2HG2 ILE 7 -0.240 -2.451 -8.229 67 3HG2 ILE 7 3HG2 ILE 7 -0.213 -0.976 -9.196 68 1HD1 ILE 7 1HD1 ILE 7 -3.626 -2.973 -6.890 69 2HD1 ILE 7 2HD1 ILE 7 -3.260 -1.841 -8.191 70 3HD1 ILE 7 3HD1 ILE 7 -4.229 -1.318 -6.813 71 H ASP 8 H ASP 8 0.741 1.975 -7.075 72 HA ASP 8 HA ASP 8 2.386 1.373 -9.351 73 1HB ASP 8 2HB ASP 8 1.078 3.683 -8.273 74 2HB ASP 8 1HB ASP 8 2.778 4.064 -8.525 75 H HIS 9 H HIS 9 2.850 2.001 -5.972 76 HA HIS 9 HA HIS 9 5.700 2.422 -6.258 77 1HB HIS 9 2HB HIS 9 4.619 3.726 -4.558 78 2HB HIS 9 1HB HIS 9 3.880 2.294 -3.850 79 HD1 HIS 9 1HD HIS 9 6.815 4.441 -3.614 80 HD2 HIS 9 2HD HIS 9 5.831 0.545 -2.556 81 HE1 HIS 9 1HE HIS 9 8.571 3.730 -1.960 82 HE2 HIS 9 2HE HIS 9 8.001 1.341 -1.397 83 H PHE 10 H PHE 10 3.474 -0.126 -5.460 84 HA PHE 10 HA PHE 10 5.642 -1.896 -4.606 85 1HB PHE 10 2HB PHE 10 2.643 -2.062 -4.486 86 2HB PHE 10 1HB PHE 10 3.641 -3.493 -4.244 87 HD1 PHE 10 1HD PHE 10 2.498 -0.357 -2.827 88 HD2 PHE 10 2HD PHE 10 5.151 -3.641 -2.331 89 HE1 PHE 10 1HE PHE 10 2.818 0.268 -0.470 90 HE2 PHE 10 2HE PHE 10 5.478 -3.028 0.031 91 HZ PHE 10 HZ PHE 10 4.309 -1.069 0.966 92 H GLY 11 H GLY 11 3.495 -1.311 -7.281 93 1HA GLY 11 2HA GLY 11 3.892 -2.068 -9.476 94 2HA GLY 11 1HA GLY 11 4.926 -3.334 -8.829 95 H THR 12 H THR 12 3.306 -4.559 -7.013 96 HA THR 12 HA THR 12 0.842 -5.281 -8.404 97 HB THR 12 HB THR 12 1.447 -7.739 -7.954 98 HG1 THR 12 1HG THR 12 3.317 -7.255 -6.693 99 1HG2 THR 12 1HG2 THR 12 2.311 -8.062 -10.062 100 2HG2 THR 12 2HG2 THR 12 3.264 -6.580 -10.014 101 3HG2 THR 12 3HG2 THR 12 1.516 -6.496 -10.219 102 H GLN 13 H GLN 13 -0.666 -6.450 -7.058 103 HA GLN 13 HA GLN 13 -0.935 -5.427 -4.496 104 1HB GLN 13 2HB GLN 13 -2.615 -7.272 -4.160 105 2HB GLN 13 1HB GLN 13 -2.863 -6.286 -5.594 106 1HG GLN 13 2HG GLN 13 -1.365 -8.243 -6.649 107 2HG GLN 13 1HG GLN 13 -2.152 -9.134 -5.348 108 1HE2 GLN 13 1HE2 GLN 13 -4.610 -8.270 -5.208 109 2HE2 GLN 13 2HE2 GLN 13 -5.458 -8.443 -6.704 110 H ARG 14 H ARG 14 0.179 -8.668 -5.455 111 HA ARG 14 HA ARG 14 0.596 -9.855 -3.043 112 1HB ARG 14 2HB ARG 14 1.112 -10.657 -5.473 113 2HB ARG 14 1HB ARG 14 2.733 -10.067 -5.133 114 1HG ARG 14 2HG ARG 14 3.201 -11.761 -3.726 115 2HG ARG 14 1HG ARG 14 1.559 -11.819 -3.079 116 1HD ARG 14 2HD ARG 14 0.844 -12.866 -5.238 117 2HD ARG 14 1HD ARG 14 2.548 -12.964 -5.686 118 HE ARG 14 HE ARG 14 1.143 -14.637 -3.816 119 1HH1 ARG 14 1HH1 ARG 14 4.266 -13.404 -4.773 120 2HH1 ARG 14 2HH1 ARG 14 5.142 -14.718 -4.065 121 1HH2 ARG 14 1HH2 ARG 14 2.295 -16.367 -2.883 122 2HH2 ARG 14 2HH2 ARG 14 4.024 -16.400 -2.988 123 H ALA 15 H ALA 15 2.698 -7.475 -4.594 124 HA ALA 15 HA ALA 15 4.856 -7.632 -2.814 125 1HB ALA 15 1HB ALA 15 5.242 -5.208 -3.562 126 2HB ALA 15 2HB ALA 15 3.839 -5.450 -4.602 127 3HB ALA 15 3HB ALA 15 5.264 -6.469 -4.795 128 H VAL 16 H VAL 16 2.064 -5.421 -2.808 129 HA VAL 16 HA VAL 16 2.692 -3.988 -0.520 130 HB VAL 16 HB VAL 16 -0.179 -4.626 -0.958 131 1HG1 VAL 16 1HG1 VAL 16 -0.445 -2.281 -0.552 132 2HG1 VAL 16 2HG1 VAL 16 1.291 -2.016 -0.706 133 3HG1 VAL 16 3HG1 VAL 16 0.658 -2.940 0.656 134 1HG2 VAL 16 1HG2 VAL 16 1.578 -3.338 -3.021 135 2HG2 VAL 16 2HG2 VAL 16 -0.121 -2.893 -2.868 136 3HG2 VAL 16 3HG2 VAL 16 0.324 -4.559 -3.235 137 H ALA 17 H ALA 17 0.969 -7.055 -0.862 138 HA ALA 17 HA ALA 17 0.131 -7.336 1.798 139 1HB ALA 17 1HB ALA 17 0.359 -9.051 -0.554 140 2HB ALA 17 2HB ALA 17 -0.913 -8.957 0.664 141 3HB ALA 17 3HB ALA 17 0.536 -9.914 0.974 142 H LYS 18 H LYS 18 3.218 -7.912 0.274 143 HA LYS 18 HA LYS 18 4.311 -9.448 2.433 144 1HB LYS 18 2HB LYS 18 5.506 -8.105 0.018 145 2HB LYS 18 1HB LYS 18 6.509 -8.887 1.232 146 1HG LYS 18 2HG LYS 18 4.260 -10.370 -0.062 147 2HG LYS 18 1HG LYS 18 5.819 -10.205 -0.872 148 1HD LYS 18 2HD LYS 18 6.693 -11.001 1.512 149 2HD LYS 18 1HD LYS 18 5.089 -11.734 1.566 150 1HE LYS 18 2HE LYS 18 6.849 -13.238 0.661 151 2HE LYS 18 1HE LYS 18 5.511 -12.953 -0.454 152 1HZ LYS 18 1HZ LYS 18 8.093 -12.721 -1.111 153 2HZ LYS 18 2HZ LYS 18 7.735 -11.118 -0.712 154 3HZ LYS 18 3HZ LYS 18 6.839 -11.911 -1.908 155 H ALA 19 H ALA 19 4.147 -6.063 1.593 156 HA ALA 19 HA ALA 19 6.138 -5.216 3.473 157 1HB ALA 19 1HB ALA 19 4.325 -3.933 1.550 158 2HB ALA 19 2HB ALA 19 6.007 -3.575 1.942 159 3HB ALA 19 3HB ALA 19 4.712 -2.969 2.975 160 H LEU 20 H LEU 20 2.581 -5.081 3.389 161 HA LEU 20 HA LEU 20 2.433 -4.085 6.086 162 1HB LEU 20 2HB LEU 20 0.153 -5.225 4.490 163 2HB LEU 20 1HB LEU 20 0.084 -4.049 5.788 164 HG LEU 20 HG LEU 20 1.343 -3.501 3.103 165 1HD1 LEU 20 1HD1 LEU 20 -0.823 -3.654 2.437 166 2HD1 LEU 20 2HD1 LEU 20 -0.836 -1.998 3.041 167 3HD1 LEU 20 3HD1 LEU 20 -1.462 -3.306 4.043 168 1HD2 LEU 20 1HD2 LEU 20 0.336 -1.350 4.852 169 2HD2 LEU 20 2HD2 LEU 20 1.774 -1.409 3.834 170 3HD2 LEU 20 3HD2 LEU 20 1.778 -2.196 5.411 171 H GLY 21 H GLY 21 2.268 -7.184 4.498 172 1HA GLY 21 2HA GLY 21 2.677 -9.233 5.596 173 2HA GLY 21 1HA GLY 21 2.240 -8.477 7.121 174 H ILE 22 H ILE 22 0.247 -8.133 4.283 175 HA ILE 22 HA ILE 22 -1.796 -9.802 5.592 176 HB ILE 22 HB ILE 22 -3.455 -8.520 4.276 177 1HG1 ILE 22 2HG1 ILE 22 -1.075 -6.810 3.519 178 2HG1 ILE 22 1HG1 ILE 22 -1.971 -7.859 2.423 179 1HG2 ILE 22 1HG2 ILE 22 -2.963 -6.271 5.493 180 2HG2 ILE 22 2HG2 ILE 22 -1.631 -7.173 6.218 181 3HG2 ILE 22 3HG2 ILE 22 -3.290 -7.727 6.435 182 1HD1 ILE 22 1HD1 ILE 22 -3.750 -6.441 2.305 183 2HD1 ILE 22 2HD1 ILE 22 -2.445 -5.283 2.556 184 3HD1 ILE 22 3HD1 ILE 22 -3.465 -5.769 3.909 185 H SER 23 H SER 23 -3.519 -10.453 3.764 186 HA SER 23 HA SER 23 -2.021 -12.164 1.953 187 1HB SER 23 2HB SER 23 -4.121 -13.330 1.602 188 2HB SER 23 1HB SER 23 -3.889 -13.075 3.331 189 HG SER 23 HG SER 23 -5.243 -11.153 3.027 190 H ASP 24 H ASP 24 -2.745 -12.426 -0.302 191 HA ASP 24 HA ASP 24 -2.709 -9.977 -1.683 192 1HB ASP 24 2HB ASP 24 -3.475 -12.727 -2.685 193 2HB ASP 24 1HB ASP 24 -3.104 -11.340 -3.706 194 H ALA 25 H ALA 25 -5.320 -12.043 -0.627 195 HA ALA 25 HA ALA 25 -7.379 -11.015 -2.239 196 1HB ALA 25 1HB ALA 25 -7.226 -13.021 -0.452 197 2HB ALA 25 2HB ALA 25 -8.747 -12.360 -1.049 198 3HB ALA 25 3HB ALA 25 -8.102 -11.825 0.502 199 H ALA 26 H ALA 26 -6.203 -10.035 0.961 200 HA ALA 26 HA ALA 26 -8.123 -8.076 1.500 201 1HB ALA 26 1HB ALA 26 -6.501 -7.167 3.092 202 2HB ALA 26 2HB ALA 26 -5.236 -8.161 2.371 203 3HB ALA 26 3HB ALA 26 -6.594 -8.924 3.196 204 H VAL 27 H VAL 27 -5.020 -7.853 -0.195 205 HA VAL 27 HA VAL 27 -4.979 -5.073 -0.552 206 HB VAL 27 HB VAL 27 -3.842 -7.127 -2.454 207 1HG1 VAL 27 1HG1 VAL 27 -3.252 -4.223 -1.944 208 2HG1 VAL 27 2HG1 VAL 27 -3.734 -4.992 -3.456 209 3HG1 VAL 27 3HG1 VAL 27 -2.129 -5.290 -2.786 210 1HG2 VAL 27 1HG2 VAL 27 -2.986 -7.733 -0.350 211 2HG2 VAL 27 2HG2 VAL 27 -2.794 -6.052 0.149 212 3HG2 VAL 27 3HG2 VAL 27 -1.733 -6.734 -1.083 213 H SER 28 H SER 28 -6.091 -7.628 -2.775 214 HA SER 28 HA SER 28 -7.006 -5.889 -4.785 215 1HB SER 28 2HB SER 28 -6.590 -8.436 -4.894 216 2HB SER 28 1HB SER 28 -8.229 -8.591 -4.264 217 HG SER 28 HG SER 28 -7.503 -8.213 -6.763 218 H GLN 29 H GLN 29 -8.562 -7.216 -1.923 219 HA GLN 29 HA GLN 29 -11.200 -6.501 -2.518 220 1HB GLN 29 2HB GLN 29 -9.748 -7.517 -0.261 221 2HB GLN 29 1HB GLN 29 -10.850 -6.261 0.276 222 1HG GLN 29 2HG GLN 29 -12.730 -7.419 -0.562 223 2HG GLN 29 1HG GLN 29 -11.720 -8.545 -1.469 224 1HE2 GLN 29 1HE2 GLN 29 -13.770 -8.759 0.778 225 2HE2 GLN 29 2HE2 GLN 29 -13.010 -9.798 1.928 226 H TRP 30 H TRP 30 -8.509 -4.561 -1.672 227 HA TRP 30 HA TRP 30 -9.645 -2.429 -0.322 228 1HB TRP 30 2HB TRP 30 -7.400 -2.513 -2.337 229 2HB TRP 30 1HB TRP 30 -7.838 -1.047 -1.467 230 HD1 TRP 30 HD TRP 30 -8.414 -3.299 1.151 231 HE1 TRP 30 1HE TRP 30 -6.335 -3.747 2.601 232 HE3 TRP 30 3HE TRP 30 -4.810 -1.591 -2.047 233 HZ2 TRP 30 2HZ TRP 30 -3.538 -3.419 2.414 234 HZ3 TRP 30 3HZ TRP 30 -2.457 -1.692 -1.334 235 HH2 TRP 30 HH TRP 30 -1.835 -2.587 0.850 236 H LYS 31 H LYS 31 -10.000 -0.202 -1.228 237 HA LYS 31 HA LYS 31 -11.440 -0.318 -3.797 238 1HB LYS 31 2HB LYS 31 -13.070 1.318 -2.791 239 2HB LYS 31 1HB LYS 31 -13.130 -0.299 -2.112 240 1HG LYS 31 2HG LYS 31 -11.710 0.508 -0.231 241 2HG LYS 31 1HG LYS 31 -11.870 2.140 -0.885 242 1HD LYS 31 2HD LYS 31 -14.440 1.514 -0.810 243 2HD LYS 31 1HD LYS 31 -13.890 0.422 0.458 244 1HE LYS 31 2HE LYS 31 -13.470 2.101 1.895 245 2HE LYS 31 1HE LYS 31 -12.820 3.148 0.635 246 1HZ LYS 31 1HZ LYS 31 -15.130 3.586 1.854 247 2HZ LYS 31 2HZ LYS 31 -15.680 2.675 0.539 248 3HZ LYS 31 3HZ LYS 31 -14.810 4.100 0.275 249 H GLU 32 H GLU 32 -12.150 2.357 -3.978 250 HA GLU 32 HA GLU 32 -10.030 3.571 -5.176 251 1HB GLU 32 2HB GLU 32 -12.600 4.447 -4.119 252 2HB GLU 32 1HB GLU 32 -11.400 5.726 -4.082 253 1HG GLU 32 2HG GLU 32 -10.990 5.460 -6.452 254 2HG GLU 32 1HG GLU 32 -12.120 4.108 -6.512 255 H VAL 33 H VAL 33 -10.700 3.460 -1.752 256 HA VAL 33 HA VAL 33 -8.147 4.823 -1.259 257 HB VAL 33 HB VAL 33 -10.590 5.139 0.480 258 1HG1 VAL 33 1HG1 VAL 33 -8.084 6.779 0.548 259 2HG1 VAL 33 2HG1 VAL 33 -8.254 5.295 1.485 260 3HG1 VAL 33 3HG1 VAL 33 -9.350 6.647 1.768 261 1HG2 VAL 33 1HG2 VAL 33 -9.409 7.323 -1.191 262 2HG2 VAL 33 2HG2 VAL 33 -11.010 7.224 -0.461 263 3HG2 VAL 33 3HG2 VAL 33 -10.610 6.228 -1.862 264 H ILE 34 H ILE 34 -6.781 3.527 -0.233 265 HA ILE 34 HA ILE 34 -7.363 0.975 0.684 266 HB ILE 34 HB ILE 34 -5.201 1.192 2.018 267 1HG1 ILE 34 2HG1 ILE 34 -5.022 3.822 0.535 268 2HG1 ILE 34 1HG1 ILE 34 -5.378 3.687 2.254 269 1HG2 ILE 34 1HG2 ILE 34 -5.603 0.500 -0.481 270 2HG2 ILE 34 2HG2 ILE 34 -3.968 0.712 0.148 271 3HG2 ILE 34 3HG2 ILE 34 -4.718 1.991 -0.810 272 1HD1 ILE 34 1HD1 ILE 34 -3.101 4.145 2.164 273 2HD1 ILE 34 2HD1 ILE 34 -2.838 3.047 0.809 274 3HD1 ILE 34 3HD1 ILE 34 -3.178 2.400 2.415 275 HA PRO 35 HA PRO 35 -9.238 1.083 4.653 276 1HB PRO 35 2HB PRO 35 -6.873 -0.408 5.695 277 2HB PRO 35 1HB PRO 35 -8.594 -0.783 5.840 278 1HG PRO 35 2HG PRO 35 -7.060 -2.119 4.126 279 2HG PRO 35 1HG PRO 35 -8.720 -1.666 3.700 280 1HD PRO 35 2HD PRO 35 -6.137 -0.474 2.803 281 2HD PRO 35 1HD PRO 35 -7.658 -0.676 1.911 282 H GLU 36 H GLU 36 -8.836 1.680 6.972 283 HA GLU 36 HA GLU 36 -7.311 4.109 7.063 284 1HB GLU 36 2HB GLU 36 -9.579 3.574 8.198 285 2HB GLU 36 1HB GLU 36 -8.604 2.812 9.445 286 1HG GLU 36 2HG GLU 36 -7.925 5.583 8.628 287 2HG GLU 36 1HG GLU 36 -9.361 5.326 9.617 288 H LYS 37 H LYS 37 -6.952 0.846 8.301 289 HA LYS 37 HA LYS 37 -4.628 1.589 9.886 290 1HB LYS 37 2HB LYS 37 -6.086 -1.020 9.479 291 2HB LYS 37 1HB LYS 37 -4.597 -0.895 10.409 292 1HG LYS 37 2HG LYS 37 -6.066 1.048 11.574 293 2HG LYS 37 1HG LYS 37 -7.336 -0.081 11.097 294 1HD LYS 37 2HD LYS 37 -5.518 -1.790 12.143 295 2HD LYS 37 1HD LYS 37 -5.216 -0.356 13.125 296 1HE LYS 37 2HE LYS 37 -6.914 -1.088 14.386 297 2HE LYS 37 1HE LYS 37 -7.947 -0.471 13.099 298 1HZ LYS 37 1HZ LYS 37 -8.713 -2.549 13.004 299 2HZ LYS 37 2HZ LYS 37 -7.412 -3.186 13.877 300 3HZ LYS 37 3HZ LYS 37 -7.269 -2.936 12.211 301 H ASP 38 H ASP 38 -5.315 0.380 6.741 302 HA ASP 38 HA ASP 38 -2.761 -0.903 6.375 303 1HB ASP 38 2HB ASP 38 -5.165 -0.396 4.701 304 2HB ASP 38 1HB ASP 38 -3.635 -0.603 3.853 305 H ALA 39 H ALA 39 -4.244 2.182 5.516 306 HA ALA 39 HA ALA 39 -2.146 3.170 3.920 307 1HB ALA 39 1HB ALA 39 -3.124 5.422 4.502 308 2HB ALA 39 2HB ALA 39 -4.269 4.567 5.533 309 3HB ALA 39 3HB ALA 39 -4.247 4.260 3.797 310 H TYR 40 H TYR 40 -2.548 2.909 7.361 311 HA TYR 40 HA TYR 40 -0.549 4.828 8.066 312 1HB TYR 40 2HB TYR 40 -2.338 4.216 9.625 313 2HB TYR 40 1HB TYR 40 -1.745 2.555 9.668 314 HD1 TYR 40 1HD TYR 40 0.202 1.967 10.959 315 HD2 TYR 40 2HD TYR 40 -1.097 6.012 10.730 316 HE1 TYR 40 1HE TYR 40 1.680 2.542 12.839 317 HE2 TYR 40 2HE TYR 40 0.379 6.600 12.607 318 HH TYR 40 HH TYR 40 1.620 4.518 14.692 319 H ARG 41 H ARG 41 -0.622 1.268 8.022 320 HA ARG 41 HA ARG 41 2.091 0.932 8.726 321 1HB ARG 41 2HB ARG 41 0.364 -0.983 7.153 322 2HB ARG 41 1HB ARG 41 1.801 -1.380 8.085 323 1HG ARG 41 2HG ARG 41 0.674 -0.856 10.143 324 2HG ARG 41 1HG ARG 41 -0.741 -0.281 9.262 325 1HD ARG 41 2HD ARG 41 -0.147 -2.914 8.369 326 2HD ARG 41 1HD ARG 41 -0.139 -2.918 10.131 327 HE ARG 41 HE ARG 41 -2.410 -1.535 9.234 328 1HH1 ARG 41 1HH1 ARG 41 -1.115 -4.775 9.325 329 2HH1 ARG 41 2HH1 ARG 41 -2.672 -5.530 9.352 330 1HH2 ARG 41 1HH2 ARG 41 -4.459 -2.528 9.270 331 2HH2 ARG 41 2HH2 ARG 41 -4.571 -4.256 9.321 332 H LEU 42 H LEU 42 0.527 1.665 5.732 333 HA LEU 42 HA LEU 42 2.510 0.722 3.960 334 1HB LEU 42 2HB LEU 42 0.215 2.599 3.788 335 2HB LEU 42 1HB LEU 42 1.432 2.700 2.531 336 HG LEU 42 HG LEU 42 0.107 0.095 3.237 337 1HD1 LEU 42 1HD1 LEU 42 -1.022 2.398 1.847 338 2HD1 LEU 42 2HD1 LEU 42 -1.813 0.963 2.498 339 3HD1 LEU 42 3HD1 LEU 42 -1.065 0.910 0.901 340 1HD2 LEU 42 1HD2 LEU 42 1.914 -0.417 1.926 341 2HD2 LEU 42 2HD2 LEU 42 1.862 1.119 1.060 342 3HD2 LEU 42 3HD2 LEU 42 0.688 -0.144 0.687 343 H GLU 43 H GLU 43 2.128 3.728 5.730 344 HA GLU 43 HA GLU 43 4.002 5.292 4.371 345 1HB GLU 43 2HB GLU 43 2.367 6.013 6.182 346 2HB GLU 43 1HB GLU 43 3.529 5.392 7.349 347 1HG GLU 43 2HG GLU 43 4.677 7.219 5.378 348 2HG GLU 43 1HG GLU 43 3.444 7.944 6.406 349 H ILE 44 H ILE 44 4.447 3.244 7.248 350 HA ILE 44 HA ILE 44 7.179 3.687 7.577 351 HB ILE 44 HB ILE 44 5.732 1.146 8.283 352 1HG1 ILE 44 2HG1 ILE 44 5.702 2.637 10.550 353 2HG1 ILE 44 1HG1 ILE 44 5.497 3.893 9.341 354 1HG2 ILE 44 1HG2 ILE 44 7.363 1.165 10.177 355 2HG2 ILE 44 2HG2 ILE 44 8.175 2.517 9.386 356 3HG2 ILE 44 3HG2 ILE 44 8.089 0.949 8.585 357 1HD1 ILE 44 1HD1 ILE 44 3.627 1.899 10.297 358 2HD1 ILE 44 2HD1 ILE 44 3.732 1.954 8.538 359 3HD1 ILE 44 3HD1 ILE 44 3.337 3.415 9.443 360 H VAL 45 H VAL 45 5.507 1.060 5.831 361 HA VAL 45 HA VAL 45 7.809 -0.378 5.122 362 HB VAL 45 HB VAL 45 6.424 -1.299 3.245 363 1HG1 VAL 45 1HG1 VAL 45 4.670 -2.277 4.838 364 2HG1 VAL 45 2HG1 VAL 45 5.441 -1.292 6.080 365 3HG1 VAL 45 3HG1 VAL 45 6.369 -2.529 5.235 366 1HG2 VAL 45 1HG2 VAL 45 5.070 0.651 2.774 367 2HG2 VAL 45 2HG2 VAL 45 4.347 0.562 4.380 368 3HG2 VAL 45 3HG2 VAL 45 4.038 -0.714 3.204 369 H THR 46 H THR 46 6.115 2.221 3.428 370 HA THR 46 HA THR 46 7.886 2.137 1.172 371 HB THR 46 HB THR 46 6.654 4.270 0.569 372 HG1 THR 46 1HG THR 46 4.880 4.796 1.803 373 1HG2 THR 46 1HG2 THR 46 5.581 2.677 -0.573 374 2HG2 THR 46 2HG2 THR 46 4.325 2.913 0.643 375 3HG2 THR 46 3HG2 THR 46 5.487 1.598 0.816 376 H ALA 47 H ALA 47 8.561 3.049 4.189 377 HA ALA 47 HA ALA 47 10.173 4.338 5.135 378 1HB ALA 47 1HB ALA 47 11.545 3.530 3.251 379 2HB ALA 47 2HB ALA 47 11.987 5.157 3.763 380 3HB ALA 47 3HB ALA 47 11.028 4.925 2.303 381 H GLY 48 H GLY 48 7.560 5.434 4.483 382 1HA GLY 48 2HA GLY 48 6.582 7.488 4.927 383 2HA GLY 48 1HA GLY 48 8.183 8.208 4.961 384 H ALA 49 H ALA 49 7.167 6.310 2.227 385 HA ALA 49 HA ALA 49 7.631 8.472 0.433 386 1HB ALA 49 1HB ALA 49 6.169 5.976 -0.342 387 2HB ALA 49 2HB ALA 49 7.893 5.935 0.030 388 3HB ALA 49 3HB ALA 49 7.298 6.946 -1.287 389 H LEU 50 H LEU 50 4.788 7.073 1.912 390 HA LEU 50 HA LEU 50 3.130 9.077 0.523 391 1HB LEU 50 2HB LEU 50 2.272 6.390 1.606 392 2HB LEU 50 1HB LEU 50 1.228 7.557 0.817 393 HG LEU 50 HG LEU 50 3.576 6.678 -0.750 394 1HD1 LEU 50 1HD1 LEU 50 1.836 4.696 -1.384 395 2HD1 LEU 50 2HD1 LEU 50 1.630 4.788 0.364 396 3HD1 LEU 50 3HD1 LEU 50 3.230 4.504 -0.320 397 1HD2 LEU 50 1HD2 LEU 50 0.649 6.965 -1.414 398 2HD2 LEU 50 2HD2 LEU 50 1.973 6.753 -2.559 399 3HD2 LEU 50 3HD2 LEU 50 1.863 8.231 -1.603 400 H LYS 51 H LYS 51 2.495 10.661 1.816 401 HA LYS 51 HA LYS 51 2.655 10.408 4.680 402 1HB LYS 51 2HB LYS 51 3.108 12.492 3.125 403 2HB LYS 51 1HB LYS 51 1.384 12.761 3.344 404 1HG LYS 51 2HG LYS 51 1.868 12.564 5.852 405 2HG LYS 51 1HG LYS 51 3.560 12.779 5.399 406 1HD LYS 51 2HD LYS 51 2.868 14.950 5.845 407 2HD LYS 51 1HD LYS 51 2.700 14.839 4.091 408 1HE LYS 51 2HE LYS 51 0.696 15.810 4.707 409 2HE LYS 51 1HE LYS 51 0.270 14.100 4.628 410 1HZ LYS 51 1HZ LYS 51 -0.583 15.205 6.630 411 2HZ LYS 51 2HZ LYS 51 1.000 15.546 7.119 412 3HZ LYS 51 3HZ LYS 51 0.479 13.941 7.006 413 H TYR 52 H TYR 52 1.096 9.645 5.925 414 HA TYR 52 HA TYR 52 -1.459 8.935 5.004 415 1HB TYR 52 2HB TYR 52 -0.174 8.039 7.035 416 2HB TYR 52 1HB TYR 52 -0.791 9.444 7.898 417 HD1 TYR 52 1HD TYR 52 -3.345 9.753 7.975 418 HD2 TYR 52 2HD TYR 52 -1.465 6.104 6.854 419 HE1 TYR 52 1HE TYR 52 -5.420 8.539 8.471 420 HE2 TYR 52 2HE TYR 52 -3.540 4.880 7.344 421 HH TYR 52 HH TYR 52 -6.088 6.205 9.083 422 H GLN 53 H GLN 53 -3.434 9.896 5.122 423 HA GLN 53 HA GLN 53 -3.597 12.573 6.321 424 1HB GLN 53 2HB GLN 53 -4.113 11.789 3.498 425 2HB GLN 53 1HB GLN 53 -5.212 12.953 4.225 426 1HG GLN 53 2HG GLN 53 -2.220 13.246 4.086 427 2HG GLN 53 1HG GLN 53 -3.373 14.016 2.997 428 1HE2 GLN 53 1HE2 GLN 53 -1.656 15.593 4.313 429 2HE2 GLN 53 2HE2 GLN 53 -2.459 16.476 5.561 430 H GLU 54 H GLU 54 -5.291 12.774 7.636 431 HA GLU 54 HA GLU 54 -7.277 10.653 7.703 432 1HB GLU 54 2HB GLU 54 -7.983 11.657 9.819 433 2HB GLU 54 1HB GLU 54 -6.247 11.377 9.802 434 1HG GLU 54 2HG GLU 54 -5.880 13.744 9.287 435 2HG GLU 54 1HG GLU 54 -7.620 14.016 9.340 436 H ASN 55 H ASN 55 -7.580 12.095 5.407 437 HA ASN 55 HA ASN 55 -9.668 14.073 5.841 438 1HB ASN 55 2HB ASN 55 -8.406 13.058 3.284 439 2HB ASN 55 1HB ASN 55 -9.577 14.369 3.384 440 1HD2 ASN 55 1HD2 ASN 55 -8.775 15.845 5.446 441 2HD2 ASN 55 2HD2 ASN 55 -7.186 16.471 5.188 442 H ALA 56 H ALA 56 -9.285 11.050 3.995 443 HA ALA 56 HA ALA 56 -12.170 10.791 3.749 444 1HB ALA 56 1HB ALA 56 -10.130 8.794 2.799 445 2HB ALA 56 2HB ALA 56 -10.490 10.271 1.901 446 3HB ALA 56 3HB ALA 56 -11.760 9.086 2.189 447 H TYR 57 H TYR 57 -9.661 9.701 5.812 448 HA TYR 57 HA TYR 57 -10.970 7.287 6.670 449 1HB TYR 57 2HB TYR 57 -8.697 8.788 7.981 450 2HB TYR 57 1HB TYR 57 -9.180 7.126 8.305 451 HD1 TYR 57 1HD TYR 57 -6.628 8.808 6.954 452 HD2 TYR 57 2HD TYR 57 -9.490 5.902 5.743 453 HE1 TYR 57 1HE TYR 57 -5.086 8.025 5.209 454 HE2 TYR 57 2HE TYR 57 -7.956 5.110 3.995 455 HH TYR 57 HH TYR 57 -6.010 5.448 2.949 456 H ARG 58 H ARG 58 -11.040 10.634 7.530 457 HA ARG 58 HA ARG 58 -12.130 10.223 10.165 458 1HB ARG 58 2HB ARG 58 -10.790 12.216 9.664 459 2HB ARG 58 1HB ARG 58 -11.970 12.714 8.456 460 1HG ARG 58 2HG ARG 58 -12.520 14.022 10.270 461 2HG ARG 58 1HG ARG 58 -13.650 12.673 10.417 462 1HD ARG 58 2HD ARG 58 -11.000 12.730 11.831 463 2HD ARG 58 1HD ARG 58 -12.460 13.414 12.538 464 HE ARG 58 HE ARG 58 -13.200 10.896 11.856 465 1HH1 ARG 58 1HH1 ARG 58 -10.560 12.201 13.734 466 2HH1 ARG 58 2HH1 ARG 58 -10.450 10.818 14.769 467 1HH2 ARG 58 1HH2 ARG 58 -13.060 9.076 13.215 468 2HH2 ARG 58 2HH2 ARG 58 -11.870 9.042 14.474 469 H GLN 59 H GLN 59 -13.480 11.896 7.319 470 HA GLN 59 HA GLN 59 -16.110 10.760 8.025 471 1HB GLN 59 2HB GLN 59 -15.830 13.236 8.495 472 2HB GLN 59 1HB GLN 59 -15.680 13.465 6.757 473 1HG GLN 59 2HG GLN 59 -17.890 13.782 6.834 474 2HG GLN 59 1HG GLN 59 -17.970 12.022 6.901 475 1HE2 GLN 59 1HE2 GLN 59 -17.900 11.082 9.117 476 2HE2 GLN 59 2HE2 GLN 59 -18.760 11.909 10.363 477 H ALA 60 H ALA 60 -16.300 9.159 6.554 478 HA ALA 60 HA ALA 60 -16.840 9.827 3.849 479 1HB ALA 60 1HB ALA 60 -15.010 9.086 2.700 480 2HB ALA 60 2HB ALA 60 -14.510 7.981 3.982 481 3HB ALA 60 3HB ALA 60 -14.220 9.712 4.146 482 H ALA 61 H ALA 61 -18.470 8.521 3.368 483 HA ALA 61 HA ALA 61 -18.450 5.784 4.464 484 1HB ALA 61 1HB ALA 61 -20.910 7.324 3.683 485 2HB ALA 61 2HB ALA 61 -20.230 7.359 5.309 486 3HB ALA 61 3HB ALA 61 -20.810 5.838 4.627 Start of MODEL 19 1 1H MET 1 1HT MET 1 -4.851 9.462 0.320 2 2H MET 1 2HT MET 1 -5.962 8.229 0.764 3 3H MET 1 3HT MET 1 -6.058 8.956 -0.788 4 HA MET 1 HA MET 1 -3.766 8.122 -1.178 5 1HB MET 1 2HB MET 1 -4.057 7.466 1.529 6 2HB MET 1 1HB MET 1 -4.128 5.929 0.684 7 1HG MET 1 2HG MET 1 -1.915 5.950 0.694 8 2HG MET 1 1HG MET 1 -2.010 7.231 -0.513 9 1HE MET 1 1HE MET 1 -0.199 6.173 2.241 10 2HE MET 1 2HE MET 1 -1.494 6.480 3.399 11 3HE MET 1 3HE MET 1 -0.032 7.467 3.428 12 H TYR 2 H TYR 2 -4.516 7.384 -3.075 13 HA TYR 2 HA TYR 2 -6.684 5.451 -3.158 14 1HB TYR 2 2HB TYR 2 -5.254 7.123 -5.187 15 2HB TYR 2 1HB TYR 2 -6.141 5.700 -5.723 16 HD1 TYR 2 1HD TYR 2 -7.975 6.593 -6.865 17 HD2 TYR 2 2HD TYR 2 -7.009 8.082 -2.998 18 HE1 TYR 2 1HE TYR 2 -10.060 7.889 -6.848 19 HE2 TYR 2 2HE TYR 2 -9.096 9.382 -2.971 20 HH TYR 2 HH TYR 2 -10.680 10.352 -4.667 21 H LYS 3 H LYS 3 -6.532 3.385 -4.042 22 HA LYS 3 HA LYS 3 -4.256 1.903 -3.428 23 1HB LYS 3 2HB LYS 3 -6.791 1.260 -4.049 24 2HB LYS 3 1HB LYS 3 -6.018 0.867 -5.579 25 1HG LYS 3 2HG LYS 3 -4.325 -0.358 -3.901 26 2HG LYS 3 1HG LYS 3 -5.807 -0.450 -2.949 27 1HD LYS 3 2HD LYS 3 -6.886 -1.767 -4.509 28 2HD LYS 3 1HD LYS 3 -5.869 -1.206 -5.837 29 1HE LYS 3 2HE LYS 3 -3.990 -2.476 -4.960 30 2HE LYS 3 1HE LYS 3 -4.959 -2.992 -3.582 31 1HZ LYS 3 1HZ LYS 3 -6.489 -4.053 -5.215 32 2HZ LYS 3 2HZ LYS 3 -4.946 -4.746 -5.158 33 3HZ LYS 3 3HZ LYS 3 -5.361 -3.712 -6.430 34 H LYS 4 H LYS 4 -5.087 3.658 -6.308 35 HA LYS 4 HA LYS 4 -3.460 2.400 -8.188 36 1HB LYS 4 2HB LYS 4 -5.163 4.212 -8.614 37 2HB LYS 4 1HB LYS 4 -3.975 5.371 -8.037 38 1HG LYS 4 2HG LYS 4 -3.383 5.532 -10.181 39 2HG LYS 4 1HG LYS 4 -2.541 4.007 -9.905 40 1HD LYS 4 2HD LYS 4 -3.772 3.369 -11.703 41 2HD LYS 4 1HD LYS 4 -4.976 3.050 -10.453 42 1HE LYS 4 2HE LYS 4 -5.428 5.677 -10.967 43 2HE LYS 4 1HE LYS 4 -4.921 5.105 -12.554 44 1HZ LYS 4 1HZ LYS 4 -7.337 4.530 -11.066 45 2HZ LYS 4 2HZ LYS 4 -6.638 3.190 -11.827 46 3HZ LYS 4 3HZ LYS 4 -7.072 4.548 -12.738 47 H ASP 5 H ASP 5 -2.701 5.098 -6.000 48 HA ASP 5 HA ASP 5 -0.055 5.484 -6.843 49 1HB ASP 5 2HB ASP 5 -1.419 6.048 -4.209 50 2HB ASP 5 1HB ASP 5 0.244 6.522 -4.544 51 H VAL 6 H VAL 6 -1.312 3.607 -4.083 52 HA VAL 6 HA VAL 6 1.078 2.648 -3.098 53 HB VAL 6 HB VAL 6 -1.394 0.943 -3.171 54 1HG1 VAL 6 1HG1 VAL 6 -0.566 0.640 -0.747 55 2HG1 VAL 6 2HG1 VAL 6 0.939 1.326 -1.356 56 3HG1 VAL 6 3HG1 VAL 6 0.301 -0.160 -2.057 57 1HG2 VAL 6 1HG2 VAL 6 -2.418 2.927 -2.556 58 2HG2 VAL 6 2HG2 VAL 6 -0.980 3.536 -1.737 59 3HG2 VAL 6 3HG2 VAL 6 -1.945 2.260 -0.993 60 H ILE 7 H ILE 7 -1.096 1.090 -5.449 61 HA ILE 7 HA ILE 7 0.450 -1.177 -5.942 62 HB ILE 7 HB ILE 7 -1.487 0.290 -7.732 63 1HG1 ILE 7 2HG1 ILE 7 -1.726 -2.226 -6.067 64 2HG1 ILE 7 1HG1 ILE 7 -2.455 -0.665 -5.701 65 1HG2 ILE 7 1HG2 ILE 7 -0.020 -0.942 -9.173 66 2HG2 ILE 7 2HG2 ILE 7 -1.555 -1.806 -9.067 67 3HG2 ILE 7 3HG2 ILE 7 -0.155 -2.379 -8.160 68 1HD1 ILE 7 1HD1 ILE 7 -4.157 -0.991 -7.120 69 2HD1 ILE 7 2HD1 ILE 7 -3.724 -2.691 -6.942 70 3HD1 ILE 7 3HD1 ILE 7 -3.140 -1.772 -8.331 71 H ASP 8 H ASP 8 0.800 2.089 -7.095 72 HA ASP 8 HA ASP 8 2.581 1.433 -9.248 73 1HB ASP 8 2HB ASP 8 1.119 3.688 -8.496 74 2HB ASP 8 1HB ASP 8 2.799 4.165 -8.268 75 H HIS 9 H HIS 9 2.846 2.154 -5.863 76 HA HIS 9 HA HIS 9 5.701 2.587 -5.980 77 1HB HIS 9 2HB HIS 9 4.554 3.879 -4.337 78 2HB HIS 9 1HB HIS 9 3.717 2.464 -3.710 79 HD1 HIS 9 1HD HIS 9 6.614 4.557 -3.126 80 HD2 HIS 9 2HD HIS 9 5.567 0.612 -2.348 81 HE1 HIS 9 1HE HIS 9 8.217 3.772 -1.355 82 HE2 HIS 9 2HE HIS 9 7.514 1.407 -0.844 83 H PHE 10 H PHE 10 3.462 0.018 -5.270 84 HA PHE 10 HA PHE 10 5.589 -1.728 -4.298 85 1HB PHE 10 2HB PHE 10 2.593 -1.910 -4.373 86 2HB PHE 10 1HB PHE 10 3.572 -3.351 -4.107 87 HD1 PHE 10 1HD PHE 10 2.362 -0.240 -2.687 88 HD2 PHE 10 2HD PHE 10 4.967 -3.549 -2.112 89 HE1 PHE 10 1HE PHE 10 2.547 0.331 -0.301 90 HE2 PHE 10 2HE PHE 10 5.158 -2.991 0.278 91 HZ PHE 10 HZ PHE 10 3.947 -1.047 1.187 92 H GLY 11 H GLY 11 3.624 -1.172 -7.118 93 1HA GLY 11 2HA GLY 11 4.120 -1.922 -9.280 94 2HA GLY 11 1HA GLY 11 5.227 -3.101 -8.593 95 H THR 12 H THR 12 3.760 -4.566 -6.922 96 HA THR 12 HA THR 12 1.456 -5.516 -8.483 97 HB THR 12 HB THR 12 2.310 -7.849 -7.514 98 HG1 THR 12 1HG THR 12 4.427 -7.948 -7.223 99 1HG2 THR 12 1HG2 THR 12 2.996 -8.437 -9.604 100 2HG2 THR 12 2HG2 THR 12 3.849 -6.917 -9.875 101 3HG2 THR 12 3HG2 THR 12 2.089 -6.971 -9.974 102 H GLN 13 H GLN 13 -0.225 -6.460 -7.294 103 HA GLN 13 HA GLN 13 -0.762 -5.362 -4.795 104 1HB GLN 13 2HB GLN 13 -1.938 -7.882 -5.983 105 2HB GLN 13 1HB GLN 13 -2.641 -6.931 -4.681 106 1HG GLN 13 2HG GLN 13 -3.091 -5.114 -6.126 107 2HG GLN 13 1HG GLN 13 -2.112 -5.811 -7.417 108 1HE2 GLN 13 1HE2 GLN 13 -4.853 -6.734 -5.353 109 2HE2 GLN 13 2HE2 GLN 13 -5.790 -7.442 -6.621 110 H ARG 14 H ARG 14 0.172 -8.717 -5.556 111 HA ARG 14 HA ARG 14 0.257 -9.800 -3.049 112 1HB ARG 14 2HB ARG 14 0.958 -10.696 -5.480 113 2HB ARG 14 1HB ARG 14 2.560 -10.457 -4.801 114 1HG ARG 14 2HG ARG 14 1.487 -11.788 -2.776 115 2HG ARG 14 1HG ARG 14 0.455 -12.406 -4.066 116 1HD ARG 14 2HD ARG 14 3.077 -12.473 -5.067 117 2HD ARG 14 1HD ARG 14 3.170 -13.086 -3.416 118 HE ARG 14 HE ARG 14 2.043 -14.959 -4.087 119 1HH1 ARG 14 1HH1 ARG 14 1.675 -12.492 -6.528 120 2HH1 ARG 14 2HH1 ARG 14 0.914 -13.553 -7.664 121 1HH2 ARG 14 1HH2 ARG 14 1.042 -16.357 -5.581 122 2HH2 ARG 14 2HH2 ARG 14 0.553 -15.746 -7.128 123 H ALA 15 H ALA 15 2.528 -7.554 -4.475 124 HA ALA 15 HA ALA 15 4.657 -7.873 -2.670 125 1HB ALA 15 1HB ALA 15 3.839 -5.339 -4.085 126 2HB ALA 15 2HB ALA 15 4.795 -6.633 -4.808 127 3HB ALA 15 3HB ALA 15 5.434 -5.724 -3.439 128 H VAL 16 H VAL 16 2.013 -5.482 -2.662 129 HA VAL 16 HA VAL 16 2.643 -4.206 -0.285 130 HB VAL 16 HB VAL 16 -0.242 -4.622 -0.883 131 1HG1 VAL 16 1HG1 VAL 16 1.539 -2.363 -0.069 132 2HG1 VAL 16 2HG1 VAL 16 0.200 -3.088 0.817 133 3HG1 VAL 16 3HG1 VAL 16 -0.119 -2.090 -0.601 134 1HG2 VAL 16 1HG2 VAL 16 1.723 -3.512 -2.820 135 2HG2 VAL 16 2HG2 VAL 16 0.178 -2.679 -2.638 136 3HG2 VAL 16 3HG2 VAL 16 0.214 -4.379 -3.110 137 H ALA 17 H ALA 17 0.718 -7.117 -0.847 138 HA ALA 17 HA ALA 17 -0.239 -7.460 1.768 139 1HB ALA 17 1HB ALA 17 -1.359 -8.859 0.385 140 2HB ALA 17 2HB ALA 17 -0.125 -9.998 0.921 141 3HB ALA 17 3HB ALA 17 0.053 -9.170 -0.625 142 H LYS 18 H LYS 18 2.779 -8.430 0.237 143 HA LYS 18 HA LYS 18 3.661 -9.816 2.638 144 1HB LYS 18 2HB LYS 18 5.613 -10.450 1.341 145 2HB LYS 18 1HB LYS 18 4.150 -10.783 0.427 146 1HG LYS 18 2HG LYS 18 4.575 -9.148 -1.117 147 2HG LYS 18 1HG LYS 18 5.538 -8.187 0.004 148 1HD LYS 18 2HD LYS 18 7.285 -9.012 -1.147 149 2HD LYS 18 1HD LYS 18 7.027 -10.453 -0.159 150 1HE LYS 18 2HE LYS 18 5.647 -10.041 -2.799 151 2HE LYS 18 1HE LYS 18 7.239 -10.791 -2.676 152 1HZ LYS 18 1HZ LYS 18 5.050 -12.211 -2.632 153 2HZ LYS 18 2HZ LYS 18 5.093 -11.837 -0.984 154 3HZ LYS 18 3HZ LYS 18 6.393 -12.647 -1.702 155 H ALA 19 H ALA 19 3.250 -6.816 2.473 156 HA ALA 19 HA ALA 19 5.937 -6.062 3.411 157 1HB ALA 19 1HB ALA 19 4.138 -3.992 2.254 158 2HB ALA 19 2HB ALA 19 5.007 -5.067 1.160 159 3HB ALA 19 3HB ALA 19 5.900 -4.061 2.301 160 H LEU 20 H LEU 20 2.477 -5.246 3.584 161 HA LEU 20 HA LEU 20 2.808 -3.821 6.065 162 1HB LEU 20 2HB LEU 20 0.188 -4.739 4.914 163 2HB LEU 20 1HB LEU 20 0.499 -3.357 5.946 164 HG LEU 20 HG LEU 20 1.550 -3.549 3.129 165 1HD1 LEU 20 1HD1 LEU 20 -0.646 -3.487 2.579 166 2HD1 LEU 20 2HD1 LEU 20 -0.423 -1.767 2.905 167 3HD1 LEU 20 3HD1 LEU 20 -1.133 -2.812 4.136 168 1HD2 LEU 20 1HD2 LEU 20 1.617 -1.559 5.299 169 2HD2 LEU 20 2HD2 LEU 20 1.248 -0.929 3.693 170 3HD2 LEU 20 3HD2 LEU 20 2.740 -1.828 3.968 171 H GLY 21 H GLY 21 1.877 -7.033 5.060 172 1HA GLY 21 2HA GLY 21 2.280 -8.828 6.668 173 2HA GLY 21 1HA GLY 21 1.623 -7.771 7.908 174 H ILE 22 H ILE 22 0.156 -7.996 4.756 175 HA ILE 22 HA ILE 22 -2.061 -9.537 5.938 176 HB ILE 22 HB ILE 22 -3.599 -8.295 4.458 177 1HG1 ILE 22 2HG1 ILE 22 -1.172 -6.577 3.889 178 2HG1 ILE 22 1HG1 ILE 22 -1.965 -7.646 2.736 179 1HG2 ILE 22 1HG2 ILE 22 -2.078 -7.108 6.668 180 2HG2 ILE 22 2HG2 ILE 22 -3.818 -7.304 6.461 181 3HG2 ILE 22 3HG2 ILE 22 -2.983 -5.960 5.684 182 1HD1 ILE 22 1HD1 ILE 22 -2.465 -4.981 3.051 183 2HD1 ILE 22 2HD1 ILE 22 -3.779 -5.727 3.961 184 3HD1 ILE 22 3HD1 ILE 22 -3.533 -6.142 2.264 185 H SER 23 H SER 23 -3.580 -10.214 3.937 186 HA SER 23 HA SER 23 -1.853 -11.869 2.264 187 1HB SER 23 2HB SER 23 -3.777 -13.235 1.860 188 2HB SER 23 1HB SER 23 -3.778 -12.848 3.581 189 HG SER 23 HG SER 23 -5.338 -11.632 1.547 190 H ASP 24 H ASP 24 -2.463 -12.193 -0.027 191 HA ASP 24 HA ASP 24 -2.464 -9.778 -1.440 192 1HB ASP 24 2HB ASP 24 -2.906 -11.226 -3.450 193 2HB ASP 24 1HB ASP 24 -1.539 -11.738 -2.464 194 H ALA 25 H ALA 25 -5.081 -11.867 -0.430 195 HA ALA 25 HA ALA 25 -7.112 -10.883 -2.094 196 1HB ALA 25 1HB ALA 25 -8.497 -12.213 -0.905 197 2HB ALA 25 2HB ALA 25 -7.885 -11.642 0.647 198 3HB ALA 25 3HB ALA 25 -6.982 -12.852 -0.263 199 H ALA 26 H ALA 26 -5.881 -9.750 1.012 200 HA ALA 26 HA ALA 26 -7.864 -7.827 1.535 201 1HB ALA 26 1HB ALA 26 -6.281 -8.605 3.229 202 2HB ALA 26 2HB ALA 26 -6.262 -6.848 3.089 203 3HB ALA 26 3HB ALA 26 -4.965 -7.804 2.370 204 H VAL 27 H VAL 27 -4.873 -7.681 -0.327 205 HA VAL 27 HA VAL 27 -4.893 -4.880 -0.757 206 HB VAL 27 HB VAL 27 -3.643 -6.985 -2.526 207 1HG1 VAL 27 1HG1 VAL 27 -2.032 -5.127 -3.011 208 2HG1 VAL 27 2HG1 VAL 27 -3.129 -4.040 -2.163 209 3HG1 VAL 27 3HG1 VAL 27 -3.665 -4.870 -3.623 210 1HG2 VAL 27 1HG2 VAL 27 -2.580 -5.637 -0.049 211 2HG2 VAL 27 2HG2 VAL 27 -1.584 -6.542 -1.189 212 3HG2 VAL 27 3HG2 VAL 27 -2.866 -7.360 -0.292 213 H SER 28 H SER 28 -5.908 -7.605 -2.815 214 HA SER 28 HA SER 28 -6.834 -6.054 -4.961 215 1HB SER 28 2HB SER 28 -8.079 -8.692 -4.231 216 2HB SER 28 1HB SER 28 -7.734 -8.035 -5.831 217 HG SER 28 HG SER 28 -6.157 -9.503 -5.482 218 H GLN 29 H GLN 29 -8.302 -6.934 -1.924 219 HA GLN 29 HA GLN 29 -10.980 -6.285 -2.648 220 1HB GLN 29 2HB GLN 29 -9.610 -7.307 -0.354 221 2HB GLN 29 1HB GLN 29 -10.620 -5.965 0.152 222 1HG GLN 29 2HG GLN 29 -12.140 -7.630 0.341 223 2HG GLN 29 1HG GLN 29 -12.390 -7.237 -1.359 224 1HE2 GLN 29 1HE2 GLN 29 -10.910 -9.475 0.874 225 2HE2 GLN 29 2HE2 GLN 29 -10.710 -10.773 -0.250 226 H TRP 30 H TRP 30 -8.234 -4.420 -1.717 227 HA TRP 30 HA TRP 30 -9.361 -2.204 -0.505 228 1HB TRP 30 2HB TRP 30 -7.012 -2.428 -2.387 229 2HB TRP 30 1HB TRP 30 -7.441 -0.926 -1.577 230 HD1 TRP 30 HD TRP 30 -8.228 -3.191 1.019 231 HE1 TRP 30 1HE TRP 30 -6.248 -3.635 2.604 232 HE3 TRP 30 3HE TRP 30 -4.426 -1.451 -1.923 233 HZ2 TRP 30 2HZ TRP 30 -3.445 -3.292 2.606 234 HZ3 TRP 30 3HZ TRP 30 -2.126 -1.543 -1.054 235 HH2 TRP 30 HH TRP 30 -1.648 -2.444 1.163 236 H LYS 31 H LYS 31 -10.740 -0.689 -1.136 237 HA LYS 31 HA LYS 31 -11.730 -0.667 -3.842 238 1HB LYS 31 2HB LYS 31 -12.450 1.286 -1.662 239 2HB LYS 31 1HB LYS 31 -13.420 0.809 -3.055 240 1HG LYS 31 2HG LYS 31 -13.550 -1.486 -2.083 241 2HG LYS 31 1HG LYS 31 -12.760 -0.851 -0.634 242 1HD LYS 31 2HD LYS 31 -15.090 0.685 -1.573 243 2HD LYS 31 1HD LYS 31 -15.450 -0.948 -1.011 244 1HE LYS 31 2HE LYS 31 -13.620 0.584 0.706 245 2HE LYS 31 1HE LYS 31 -15.260 1.232 0.596 246 1HZ LYS 31 1HZ LYS 31 -16.150 -0.612 1.576 247 2HZ LYS 31 2HZ LYS 31 -14.660 -0.566 2.364 248 3HZ LYS 31 3HZ LYS 31 -14.900 -1.640 1.082 249 H GLU 32 H GLU 32 -12.340 2.051 -4.174 250 HA GLU 32 HA GLU 32 -10.190 3.019 -5.575 251 1HB GLU 32 2HB GLU 32 -12.760 3.935 -4.912 252 2HB GLU 32 1HB GLU 32 -11.670 5.230 -4.451 253 1HG GLU 32 2HG GLU 32 -10.650 4.886 -6.804 254 2HG GLU 32 1HG GLU 32 -12.170 4.051 -7.149 255 H VAL 33 H VAL 33 -10.790 3.216 -2.157 256 HA VAL 33 HA VAL 33 -8.247 4.654 -1.831 257 HB VAL 33 HB VAL 33 -10.590 4.962 0.035 258 1HG1 VAL 33 1HG1 VAL 33 -9.347 6.504 1.185 259 2HG1 VAL 33 2HG1 VAL 33 -8.338 6.888 -0.208 260 3HG1 VAL 33 3HG1 VAL 33 -8.088 5.380 0.672 261 1HG2 VAL 33 1HG2 VAL 33 -11.500 6.119 -1.687 262 2HG2 VAL 33 2HG2 VAL 33 -9.948 6.365 -2.482 263 3HG2 VAL 33 3HG2 VAL 33 -10.400 7.380 -1.116 264 H ILE 34 H ILE 34 -6.798 3.613 -0.626 265 HA ILE 34 HA ILE 34 -7.184 1.035 0.359 266 HB ILE 34 HB ILE 34 -5.069 1.529 1.738 267 1HG1 ILE 34 2HG1 ILE 34 -4.808 3.924 -0.050 268 2HG1 ILE 34 1HG1 ILE 34 -5.607 4.082 1.511 269 1HG2 ILE 34 1HG2 ILE 34 -3.763 0.986 -0.067 270 2HG2 ILE 34 2HG2 ILE 34 -4.625 2.072 -1.159 271 3HG2 ILE 34 3HG2 ILE 34 -5.364 0.548 -0.666 272 1HD1 ILE 34 1HD1 ILE 34 -2.758 3.452 0.900 273 2HD1 ILE 34 2HD1 ILE 34 -3.472 2.948 2.432 274 3HD1 ILE 34 3HD1 ILE 34 -3.432 4.655 1.998 275 HA PRO 35 HA PRO 35 -9.144 1.276 4.290 276 1HB PRO 35 2HB PRO 35 -6.895 -0.334 5.380 277 2HB PRO 35 1HB PRO 35 -8.632 -0.652 5.428 278 1HG PRO 35 2HG PRO 35 -7.053 -2.015 3.776 279 2HG PRO 35 1HG PRO 35 -8.672 -1.498 3.267 280 1HD PRO 35 2HD PRO 35 -6.004 -0.344 2.568 281 2HD PRO 35 1HD PRO 35 -7.447 -0.545 1.554 282 H GLU 36 H GLU 36 -8.878 2.052 6.487 283 HA GLU 36 HA GLU 36 -7.224 4.335 6.643 284 1HB GLU 36 2HB GLU 36 -9.410 4.081 7.807 285 2HB GLU 36 1HB GLU 36 -8.660 2.924 8.897 286 1HG GLU 36 2HG GLU 36 -7.270 5.495 8.696 287 2HG GLU 36 1HG GLU 36 -8.895 5.579 9.374 288 H LYS 37 H LYS 37 -7.119 1.273 8.473 289 HA LYS 37 HA LYS 37 -4.686 1.898 9.787 290 1HB LYS 37 2HB LYS 37 -4.680 -0.495 10.431 291 2HB LYS 37 1HB LYS 37 -6.209 0.304 10.766 292 1HG LYS 37 2HG LYS 37 -7.308 -1.173 9.539 293 2HG LYS 37 1HG LYS 37 -6.282 -0.841 8.143 294 1HD LYS 37 2HD LYS 37 -5.360 -2.851 8.365 295 2HD LYS 37 1HD LYS 37 -4.753 -2.385 9.954 296 1HE LYS 37 2HE LYS 37 -6.061 -4.422 10.117 297 2HE LYS 37 1HE LYS 37 -6.872 -3.104 10.962 298 1HZ LYS 37 1HZ LYS 37 -8.547 -3.039 9.447 299 2HZ LYS 37 2HZ LYS 37 -8.153 -4.678 9.316 300 3HZ LYS 37 3HZ LYS 37 -7.585 -3.577 8.165 301 H ASP 38 H ASP 38 -5.370 0.727 6.637 302 HA ASP 38 HA ASP 38 -2.835 -0.589 6.262 303 1HB ASP 38 2HB ASP 38 -5.009 0.229 4.324 304 2HB ASP 38 1HB ASP 38 -3.544 -0.623 3.843 305 H ALA 39 H ALA 39 -4.309 2.481 5.281 306 HA ALA 39 HA ALA 39 -2.162 3.477 3.787 307 1HB ALA 39 1HB ALA 39 -3.204 5.619 3.971 308 2HB ALA 39 2HB ALA 39 -4.097 5.120 5.407 309 3HB ALA 39 3HB ALA 39 -4.480 4.408 3.840 310 H TYR 40 H TYR 40 -2.689 3.297 7.231 311 HA TYR 40 HA TYR 40 -0.694 5.220 7.940 312 1HB TYR 40 2HB TYR 40 -2.496 4.726 9.489 313 2HB TYR 40 1HB TYR 40 -2.018 3.029 9.553 314 HD1 TYR 40 1HD TYR 40 -0.844 6.464 10.369 315 HD2 TYR 40 2HD TYR 40 -0.460 2.297 11.142 316 HE1 TYR 40 1HE TYR 40 0.626 6.959 12.277 317 HE2 TYR 40 2HE TYR 40 1.010 2.781 13.054 318 HH TYR 40 HH TYR 40 1.299 4.906 14.663 319 H ARG 41 H ARG 41 -0.789 1.675 7.797 320 HA ARG 41 HA ARG 41 1.894 1.328 8.678 321 1HB ARG 41 2HB ARG 41 -0.074 -0.487 7.294 322 2HB ARG 41 1HB ARG 41 1.557 -1.009 7.695 323 1HG ARG 41 2HG ARG 41 0.895 -0.164 10.090 324 2HG ARG 41 1HG ARG 41 -0.742 -0.420 9.486 325 1HD ARG 41 2HD ARG 41 -0.553 -2.623 9.730 326 2HD ARG 41 1HD ARG 41 0.947 -2.650 8.807 327 HE ARG 41 HE ARG 41 0.669 -2.717 11.662 328 1HH1 ARG 41 1HH1 ARG 41 2.788 -1.851 9.028 329 2HH1 ARG 41 2HH1 ARG 41 4.231 -1.995 9.976 330 1HH2 ARG 41 1HH2 ARG 41 2.563 -2.906 12.910 331 2HH2 ARG 41 2HH2 ARG 41 4.103 -2.594 12.181 332 H LEU 42 H LEU 42 0.395 1.833 5.569 333 HA LEU 42 HA LEU 42 2.419 0.905 3.888 334 1HB LEU 42 2HB LEU 42 0.366 3.078 3.577 335 2HB LEU 42 1HB LEU 42 1.505 2.702 2.297 336 HG LEU 42 HG LEU 42 -0.142 0.492 3.443 337 1HD1 LEU 42 1HD1 LEU 42 -1.172 2.826 1.991 338 2HD1 LEU 42 2HD1 LEU 42 -2.013 1.651 3.001 339 3HD1 LEU 42 3HD1 LEU 42 -1.639 1.261 1.321 340 1HD2 LEU 42 1HD2 LEU 42 -0.031 -0.230 1.042 341 2HD2 LEU 42 2HD2 LEU 42 1.523 -0.152 1.873 342 3HD2 LEU 42 3HD2 LEU 42 1.055 1.130 0.757 343 H GLU 43 H GLU 43 1.989 4.085 5.397 344 HA GLU 43 HA GLU 43 3.995 5.517 4.182 345 1HB GLU 43 2HB GLU 43 2.339 6.269 5.984 346 2HB GLU 43 1HB GLU 43 3.504 5.657 7.151 347 1HG GLU 43 2HG GLU 43 5.183 7.199 6.307 348 2HG GLU 43 1HG GLU 43 4.045 7.791 5.097 349 H ILE 44 H ILE 44 4.370 3.723 7.243 350 HA ILE 44 HA ILE 44 7.118 3.977 7.480 351 HB ILE 44 HB ILE 44 5.528 1.579 8.366 352 1HG1 ILE 44 2HG1 ILE 44 5.651 3.210 10.538 353 2HG1 ILE 44 1HG1 ILE 44 5.486 4.394 9.251 354 1HG2 ILE 44 1HG2 ILE 44 7.190 1.575 10.218 355 2HG2 ILE 44 2HG2 ILE 44 8.067 2.850 9.373 356 3HG2 ILE 44 3HG2 ILE 44 7.888 1.261 8.630 357 1HD1 ILE 44 1HD1 ILE 44 3.590 2.521 8.616 358 2HD1 ILE 44 2HD1 ILE 44 3.305 4.053 9.443 359 3HD1 ILE 44 3HD1 ILE 44 3.531 2.574 10.378 360 H VAL 45 H VAL 45 5.240 1.389 5.935 361 HA VAL 45 HA VAL 45 7.413 -0.234 5.221 362 HB VAL 45 HB VAL 45 4.849 -0.028 3.716 363 1HG1 VAL 45 1HG1 VAL 45 6.882 -2.211 4.037 364 2HG1 VAL 45 2HG1 VAL 45 6.420 -1.375 2.554 365 3HG1 VAL 45 3HG1 VAL 45 5.281 -2.467 3.342 366 1HG2 VAL 45 1HG2 VAL 45 5.133 -0.604 6.434 367 2HG2 VAL 45 2HG2 VAL 45 4.895 -2.161 5.638 368 3HG2 VAL 45 3HG2 VAL 45 3.710 -0.870 5.428 369 H THR 46 H THR 46 5.896 2.483 3.594 370 HA THR 46 HA THR 46 7.505 2.126 1.218 371 HB THR 46 HB THR 46 6.311 4.159 0.447 372 HG1 THR 46 1HG THR 46 4.846 3.972 2.852 373 1HG2 THR 46 1HG2 THR 46 3.896 3.059 0.999 374 2HG2 THR 46 2HG2 THR 46 4.977 1.683 1.219 375 3HG2 THR 46 3HG2 THR 46 4.963 2.556 -0.314 376 H ALA 47 H ALA 47 8.439 3.059 4.094 377 HA ALA 47 HA ALA 47 10.102 4.368 4.923 378 1HB ALA 47 1HB ALA 47 11.762 5.262 3.238 379 2HB ALA 47 2HB ALA 47 10.761 4.515 1.993 380 3HB ALA 47 3HB ALA 47 11.516 3.515 3.235 381 H GLY 48 H GLY 48 7.473 5.529 4.230 382 1HA GLY 48 2HA GLY 48 6.600 7.640 4.671 383 2HA GLY 48 1HA GLY 48 8.225 8.301 4.591 384 H ALA 49 H ALA 49 6.885 6.318 2.040 385 HA ALA 49 HA ALA 49 7.347 8.397 0.115 386 1HB ALA 49 1HB ALA 49 6.943 6.798 -1.522 387 2HB ALA 49 2HB ALA 49 5.871 5.860 -0.481 388 3HB ALA 49 3HB ALA 49 7.611 5.850 -0.192 389 H LEU 50 H LEU 50 4.502 6.826 1.516 390 HA LEU 50 HA LEU 50 2.801 8.826 0.188 391 1HB LEU 50 2HB LEU 50 2.259 6.059 1.218 392 2HB LEU 50 1HB LEU 50 0.949 7.194 0.955 393 HG LEU 50 HG LEU 50 2.870 6.189 -1.146 394 1HD1 LEU 50 1HD1 LEU 50 1.466 4.425 -0.992 395 2HD1 LEU 50 2HD1 LEU 50 0.442 5.454 -1.994 396 3HD1 LEU 50 3HD1 LEU 50 0.176 5.373 -0.252 397 1HD2 LEU 50 1HD2 LEU 50 2.374 8.213 -2.038 398 2HD2 LEU 50 2HD2 LEU 50 0.886 8.384 -1.107 399 3HD2 LEU 50 3HD2 LEU 50 0.916 7.356 -2.540 400 H LYS 51 H LYS 51 1.926 10.384 1.379 401 HA LYS 51 HA LYS 51 2.318 10.397 4.237 402 1HB LYS 51 2HB LYS 51 1.193 12.663 4.055 403 2HB LYS 51 1HB LYS 51 2.705 12.476 3.179 404 1HG LYS 51 2HG LYS 51 0.299 11.839 1.627 405 2HG LYS 51 1HG LYS 51 0.436 13.523 2.140 406 1HD LYS 51 2HD LYS 51 2.956 13.054 1.269 407 2HD LYS 51 1HD LYS 51 2.039 11.994 0.197 408 1HE LYS 51 2HE LYS 51 0.896 13.743 -0.775 409 2HE LYS 51 1HE LYS 51 1.107 14.795 0.624 410 1HZ LYS 51 1HZ LYS 51 3.094 15.514 -0.110 411 2HZ LYS 51 2HZ LYS 51 2.511 15.030 -1.622 412 3HZ LYS 51 3HZ LYS 51 3.544 14.013 -0.750 413 H TYR 52 H TYR 52 0.976 9.173 5.404 414 HA TYR 52 HA TYR 52 -1.677 8.529 4.678 415 1HB TYR 52 2HB TYR 52 -0.528 7.043 6.144 416 2HB TYR 52 1HB TYR 52 -0.167 8.333 7.283 417 HD1 TYR 52 1HD TYR 52 -3.246 6.911 5.684 418 HD2 TYR 52 2HD TYR 52 -1.335 8.211 9.254 419 HE1 TYR 52 1HE TYR 52 -5.256 6.327 6.964 420 HE2 TYR 52 2HE TYR 52 -3.346 7.638 10.545 421 HH TYR 52 HH TYR 52 -5.449 5.745 9.927 422 H GLN 53 H GLN 53 -3.594 9.474 5.127 423 HA GLN 53 HA GLN 53 -3.595 11.814 6.907 424 1HB GLN 53 2HB GLN 53 -5.126 11.684 4.310 425 2HB GLN 53 1HB GLN 53 -4.951 13.069 5.379 426 1HG GLN 53 2HG GLN 53 -2.400 12.024 4.454 427 2HG GLN 53 1HG GLN 53 -3.452 12.546 3.140 428 1HE2 GLN 53 1HE2 GLN 53 -2.571 14.418 2.533 429 2HE2 GLN 53 2HE2 GLN 53 -2.309 15.774 3.571 430 H GLU 54 H GLU 54 -4.723 11.035 8.593 431 HA GLU 54 HA GLU 54 -6.774 9.135 8.482 432 1HB GLU 54 2HB GLU 54 -5.564 10.846 10.483 433 2HB GLU 54 1HB GLU 54 -7.300 10.716 10.732 434 1HG GLU 54 2HG GLU 54 -6.896 8.175 10.461 435 2HG GLU 54 1HG GLU 54 -5.215 8.580 10.799 436 H ASN 55 H ASN 55 -6.798 12.520 7.809 437 HA ASN 55 HA ASN 55 -9.450 13.178 8.344 438 1HB ASN 55 2HB ASN 55 -9.132 14.860 6.441 439 2HB ASN 55 1HB ASN 55 -8.006 14.961 7.791 440 1HD2 ASN 55 1HD2 ASN 55 -6.229 15.741 6.855 441 2HD2 ASN 55 2HD2 ASN 55 -5.396 14.997 5.536 442 H ALA 56 H ALA 56 -8.026 11.474 5.629 443 HA ALA 56 HA ALA 56 -10.590 11.366 4.243 444 1HB ALA 56 1HB ALA 56 -9.068 11.621 2.591 445 2HB ALA 56 2HB ALA 56 -8.993 9.862 2.703 446 3HB ALA 56 3HB ALA 56 -7.777 10.849 3.512 447 H TYR 57 H TYR 57 -9.669 9.868 6.836 448 HA TYR 57 HA TYR 57 -10.900 7.336 6.060 449 1HB TYR 57 2HB TYR 57 -8.382 7.525 7.715 450 2HB TYR 57 1HB TYR 57 -9.256 6.047 7.324 451 HD1 TYR 57 1HD TYR 57 -6.548 8.075 6.414 452 HD2 TYR 57 2HD TYR 57 -9.618 5.661 4.725 453 HE1 TYR 57 1HE TYR 57 -5.219 7.828 4.361 454 HE2 TYR 57 2HE TYR 57 -8.297 5.407 2.669 455 HH TYR 57 HH TYR 57 -5.224 5.836 2.394 456 H ARG 58 H ARG 58 -11.660 9.805 7.605 457 HA ARG 58 HA ARG 58 -12.500 8.424 10.060 458 1HB ARG 58 2HB ARG 58 -11.160 11.050 9.747 459 2HB ARG 58 1HB ARG 58 -12.470 10.973 10.915 460 1HG ARG 58 2HG ARG 58 -11.130 8.796 11.667 461 2HG ARG 58 1HG ARG 58 -9.800 9.716 10.976 462 1HD ARG 58 2HD ARG 58 -10.460 11.640 12.400 463 2HD ARG 58 1HD ARG 58 -11.680 10.614 13.153 464 HE ARG 58 HE ARG 58 -9.408 9.201 13.491 465 1HH1 ARG 58 1HH1 ARG 58 -10.280 12.505 14.194 466 2HH1 ARG 58 2HH1 ARG 58 -9.209 12.632 15.548 467 1HH2 ARG 58 1HH2 ARG 58 -7.998 9.365 15.272 468 2HH2 ARG 58 2HH2 ARG 58 -7.912 10.849 16.159 469 H GLN 59 H GLN 59 -13.850 8.783 7.488 470 HA GLN 59 HA GLN 59 -16.130 10.434 8.372 471 1HB GLN 59 2HB GLN 59 -14.790 10.154 5.748 472 2HB GLN 59 1HB GLN 59 -16.540 10.212 5.709 473 1HG GLN 59 2HG GLN 59 -16.490 12.408 5.908 474 2HG GLN 59 1HG GLN 59 -15.640 12.261 7.447 475 1HE2 GLN 59 1HE2 GLN 59 -13.740 13.192 7.559 476 2HE2 GLN 59 2HE2 GLN 59 -12.710 13.574 6.226 477 H ALA 60 H ALA 60 -16.770 8.445 9.527 478 HA ALA 60 HA ALA 60 -18.000 6.462 7.731 479 1HB ALA 60 1HB ALA 60 -16.680 6.240 10.365 480 2HB ALA 60 2HB ALA 60 -16.720 5.108 9.014 481 3HB ALA 60 3HB ALA 60 -18.100 5.225 10.106 482 H ALA 61 H ALA 61 -18.540 8.647 10.414 483 HA ALA 61 HA ALA 61 -21.420 8.008 10.313 484 1HB ALA 61 1HB ALA 61 -20.390 9.538 12.615 485 2HB ALA 61 2HB ALA 61 -19.860 7.860 12.501 486 3HB ALA 61 3HB ALA 61 -21.580 8.240 12.551 Start of MODEL 20 1 1H MET 1 1HT MET 1 -4.075 8.236 1.952 2 2H MET 1 2HT MET 1 -4.451 6.584 1.670 3 3H MET 1 3HT MET 1 -5.665 7.785 1.500 4 HA MET 1 HA MET 1 -4.558 8.732 -0.340 5 1HB MET 1 2HB MET 1 -2.551 7.389 -1.227 6 2HB MET 1 1HB MET 1 -2.283 8.445 0.152 7 1HG MET 1 2HG MET 1 -2.950 5.574 0.597 8 2HG MET 1 1HG MET 1 -1.314 6.033 0.131 9 1HE MET 1 1HE MET 1 -0.210 5.483 3.423 10 2HE MET 1 2HE MET 1 0.509 6.845 2.565 11 3HE MET 1 3HE MET 1 -0.026 5.423 1.670 12 H TYR 2 H TYR 2 -4.380 7.641 -2.561 13 HA TYR 2 HA TYR 2 -6.588 5.830 -2.800 14 1HB TYR 2 2HB TYR 2 -4.910 7.426 -4.625 15 2HB TYR 2 1HB TYR 2 -5.534 5.927 -5.308 16 HD1 TYR 2 1HD TYR 2 -7.187 6.630 -6.801 17 HD2 TYR 2 2HD TYR 2 -7.140 8.222 -2.857 18 HE1 TYR 2 1HE TYR 2 -9.351 7.719 -7.223 19 HE2 TYR 2 2HE TYR 2 -9.304 9.315 -3.266 20 HH TYR 2 HH TYR 2 -11.350 8.526 -5.611 21 H LYS 3 H LYS 3 -6.583 3.741 -3.646 22 HA LYS 3 HA LYS 3 -4.408 2.108 -2.821 23 1HB LYS 3 2HB LYS 3 -6.787 1.392 -2.793 24 2HB LYS 3 1HB LYS 3 -6.776 1.376 -4.552 25 1HG LYS 3 2HG LYS 3 -4.663 -0.218 -4.045 26 2HG LYS 3 1HG LYS 3 -5.667 -0.551 -2.633 27 1HD LYS 3 2HD LYS 3 -6.329 -2.132 -4.244 28 2HD LYS 3 1HD LYS 3 -7.584 -0.891 -4.270 29 1HE LYS 3 2HE LYS 3 -5.280 -0.606 -6.127 30 2HE LYS 3 1HE LYS 3 -6.501 -1.825 -6.493 31 1HZ LYS 3 1HZ LYS 3 -7.488 -0.094 -7.504 32 2HZ LYS 3 2HZ LYS 3 -6.692 1.071 -6.572 33 3HZ LYS 3 3HZ LYS 3 -8.045 0.269 -5.949 34 H LYS 4 H LYS 4 -5.437 3.439 -5.887 35 HA LYS 4 HA LYS 4 -3.968 1.822 -7.625 36 1HB LYS 4 2HB LYS 4 -5.730 3.563 -8.202 37 2HB LYS 4 1HB LYS 4 -4.457 4.766 -8.044 38 1HG LYS 4 2HG LYS 4 -3.220 3.787 -9.845 39 2HG LYS 4 1HG LYS 4 -4.336 2.424 -9.928 40 1HD LYS 4 2HD LYS 4 -5.320 3.628 -11.554 41 2HD LYS 4 1HD LYS 4 -6.046 4.512 -10.210 42 1HE LYS 4 2HE LYS 4 -5.177 6.187 -11.582 43 2HE LYS 4 1HE LYS 4 -3.964 6.000 -10.317 44 1HZ LYS 4 1HZ LYS 4 -2.456 5.191 -11.757 45 2HZ LYS 4 2HZ LYS 4 -3.387 6.012 -12.907 46 3HZ LYS 4 3HZ LYS 4 -3.600 4.350 -12.679 47 H ASP 5 H ASP 5 -2.890 4.204 -5.393 48 HA ASP 5 HA ASP 5 -0.391 4.713 -6.761 49 1HB ASP 5 2HB ASP 5 -1.820 5.811 -4.452 50 2HB ASP 5 1HB ASP 5 -0.082 5.685 -4.199 51 H VAL 6 H VAL 6 -1.406 3.049 -3.773 52 HA VAL 6 HA VAL 6 1.058 2.225 -2.863 53 HB VAL 6 HB VAL 6 -1.352 0.439 -2.699 54 1HG1 VAL 6 1HG1 VAL 6 0.866 -0.205 -1.740 55 2HG1 VAL 6 2HG1 VAL 6 -0.465 -0.164 -0.584 56 3HG1 VAL 6 3HG1 VAL 6 0.703 1.157 -0.634 57 1HG2 VAL 6 1HG2 VAL 6 -1.779 1.899 -0.555 58 2HG2 VAL 6 2HG2 VAL 6 -2.442 2.376 -2.116 59 3HG2 VAL 6 3HG2 VAL 6 -0.978 3.148 -1.508 60 H ILE 7 H ILE 7 -1.101 0.630 -5.180 61 HA ILE 7 HA ILE 7 0.559 -1.648 -5.562 62 HB ILE 7 HB ILE 7 -1.644 -0.509 -7.287 63 1HG1 ILE 7 2HG1 ILE 7 -1.661 -2.876 -5.405 64 2HG1 ILE 7 1HG1 ILE 7 -2.275 -1.279 -4.994 65 1HG2 ILE 7 1HG2 ILE 7 -0.251 -3.177 -7.466 66 2HG2 ILE 7 2HG2 ILE 7 -0.178 -1.869 -8.649 67 3HG2 ILE 7 3HG2 ILE 7 -1.696 -2.721 -8.368 68 1HD1 ILE 7 1HD1 ILE 7 -4.207 -2.299 -5.610 69 2HD1 ILE 7 2HD1 ILE 7 -3.411 -3.350 -6.782 70 3HD1 ILE 7 3HD1 ILE 7 -3.708 -1.656 -7.174 71 H ASP 8 H ASP 8 0.332 1.502 -7.072 72 HA ASP 8 HA ASP 8 2.033 0.845 -9.288 73 1HB ASP 8 2HB ASP 8 0.484 3.145 -8.387 74 2HB ASP 8 1HB ASP 8 2.053 3.615 -9.033 75 H HIS 9 H HIS 9 2.450 1.948 -6.039 76 HA HIS 9 HA HIS 9 5.141 2.891 -6.465 77 1HB HIS 9 2HB HIS 9 3.914 4.064 -4.797 78 2HB HIS 9 1HB HIS 9 3.419 2.570 -4.009 79 HD1 HIS 9 1HD HIS 9 6.949 3.602 -4.956 80 HD2 HIS 9 2HD HIS 9 4.642 2.809 -1.595 81 HE1 HIS 9 1HE HIS 9 8.546 3.669 -3.014 82 HE2 HIS 9 2HE HIS 9 7.145 3.078 -1.006 83 H PHE 10 H PHE 10 3.542 -0.031 -5.490 84 HA PHE 10 HA PHE 10 6.013 -1.226 -4.521 85 1HB PHE 10 2HB PHE 10 3.140 -2.095 -4.565 86 2HB PHE 10 1HB PHE 10 4.422 -3.267 -4.275 87 HD1 PHE 10 1HD PHE 10 4.401 -3.839 -2.050 88 HD2 PHE 10 2HD PHE 10 3.954 0.249 -3.138 89 HE1 PHE 10 1HE PHE 10 4.439 -3.207 0.327 90 HE2 PHE 10 2HE PHE 10 3.990 0.891 -0.764 91 HZ PHE 10 HZ PHE 10 4.234 -0.840 0.973 92 H GLY 11 H GLY 11 3.593 -1.829 -7.061 93 1HA GLY 11 2HA GLY 11 4.548 -2.257 -9.316 94 2HA GLY 11 1HA GLY 11 5.669 -3.349 -8.519 95 H THR 12 H THR 12 3.549 -4.350 -6.709 96 HA THR 12 HA THR 12 1.643 -5.635 -8.476 97 HB THR 12 HB THR 12 2.483 -7.891 -7.292 98 HG1 THR 12 1HG THR 12 4.875 -6.444 -7.737 99 1HG2 THR 12 1HG2 THR 12 2.242 -7.820 -9.645 100 2HG2 THR 12 2HG2 THR 12 3.890 -8.351 -9.306 101 3HG2 THR 12 3HG2 THR 12 3.586 -6.689 -9.813 102 H GLN 13 H GLN 13 0.440 -7.418 -7.044 103 HA GLN 13 HA GLN 13 -0.575 -5.948 -4.767 104 1HB GLN 13 2HB GLN 13 -1.425 -8.549 -6.046 105 2HB GLN 13 1HB GLN 13 -2.234 -7.831 -4.661 106 1HG GLN 13 2HG GLN 13 -2.992 -6.001 -5.912 107 2HG GLN 13 1HG GLN 13 -1.880 -6.340 -7.238 108 1HE2 GLN 13 1HE2 GLN 13 -3.963 -8.584 -5.489 109 2HE2 GLN 13 2HE2 GLN 13 -4.922 -9.039 -6.853 110 H ARG 14 H ARG 14 0.992 -9.070 -5.370 111 HA ARG 14 HA ARG 14 0.944 -10.044 -2.751 112 1HB ARG 14 2HB ARG 14 1.536 -11.394 -4.738 113 2HB ARG 14 1HB ARG 14 3.058 -10.521 -4.860 114 1HG ARG 14 2HG ARG 14 3.513 -11.344 -2.485 115 2HG ARG 14 1HG ARG 14 2.178 -12.467 -2.758 116 1HD ARG 14 2HD ARG 14 4.067 -12.424 -4.967 117 2HD ARG 14 1HD ARG 14 4.829 -12.865 -3.441 118 HE ARG 14 HE ARG 14 2.608 -14.410 -3.495 119 1HH1 ARG 14 1HH1 ARG 14 5.206 -13.876 -5.764 120 2HH1 ARG 14 2HH1 ARG 14 5.114 -15.469 -6.436 121 1HH2 ARG 14 1HH2 ARG 14 2.485 -16.507 -4.377 122 2HH2 ARG 14 2HH2 ARG 14 3.570 -16.962 -5.649 123 H ALA 15 H ALA 15 3.042 -7.724 -4.301 124 HA ALA 15 HA ALA 15 5.130 -7.741 -2.394 125 1HB ALA 15 1HB ALA 15 5.573 -5.410 -3.339 126 2HB ALA 15 2HB ALA 15 4.219 -5.723 -4.423 127 3HB ALA 15 3HB ALA 15 5.640 -6.766 -4.463 128 H VAL 16 H VAL 16 2.071 -6.031 -2.589 129 HA VAL 16 HA VAL 16 2.659 -4.358 -0.312 130 HB VAL 16 HB VAL 16 -0.164 -4.462 -0.917 131 1HG1 VAL 16 1HG1 VAL 16 0.936 -2.612 0.186 132 2HG1 VAL 16 2HG1 VAL 16 0.186 -2.064 -1.313 133 3HG1 VAL 16 3HG1 VAL 16 1.930 -2.324 -1.242 134 1HG2 VAL 16 1HG2 VAL 16 0.244 -5.144 -3.122 135 2HG2 VAL 16 2HG2 VAL 16 1.700 -4.158 -3.252 136 3HG2 VAL 16 3HG2 VAL 16 0.113 -3.388 -3.223 137 H ALA 17 H ALA 17 0.857 -7.294 -0.987 138 HA ALA 17 HA ALA 17 -0.471 -7.460 1.511 139 1HB ALA 17 1HB ALA 17 -0.714 -8.783 -0.823 140 2HB ALA 17 2HB ALA 17 -1.386 -9.355 0.704 141 3HB ALA 17 3HB ALA 17 0.159 -9.984 0.131 142 H LYS 18 H LYS 18 2.723 -8.319 0.441 143 HA LYS 18 HA LYS 18 3.267 -9.963 2.764 144 1HB LYS 18 2HB LYS 18 4.727 -9.214 0.284 145 2HB LYS 18 1HB LYS 18 5.693 -9.655 1.686 146 1HG LYS 18 2HG LYS 18 3.458 -11.446 0.896 147 2HG LYS 18 1HG LYS 18 4.927 -11.446 -0.081 148 1HD LYS 18 2HD LYS 18 5.667 -12.956 1.406 149 2HD LYS 18 1HD LYS 18 5.948 -11.555 2.444 150 1HE LYS 18 2HE LYS 18 4.731 -12.928 3.838 151 2HE LYS 18 1HE LYS 18 3.465 -11.920 3.140 152 1HZ LYS 18 1HZ LYS 18 3.466 -13.876 1.384 153 2HZ LYS 18 2HZ LYS 18 2.545 -13.944 2.800 154 3HZ LYS 18 3HZ LYS 18 4.029 -14.750 2.719 155 H ALA 19 H ALA 19 3.809 -6.689 1.681 156 HA ALA 19 HA ALA 19 5.785 -5.991 3.593 157 1HB ALA 19 1HB ALA 19 4.865 -3.612 3.056 158 2HB ALA 19 2HB ALA 19 3.957 -4.454 1.800 159 3HB ALA 19 3HB ALA 19 5.720 -4.526 1.813 160 H LEU 20 H LEU 20 2.262 -5.476 3.504 161 HA LEU 20 HA LEU 20 2.235 -4.391 6.172 162 1HB LEU 20 2HB LEU 20 -0.137 -5.307 4.556 163 2HB LEU 20 1HB LEU 20 -0.127 -4.166 5.886 164 HG LEU 20 HG LEU 20 1.237 -3.653 3.245 165 1HD1 LEU 20 1HD1 LEU 20 -1.145 -3.882 2.869 166 2HD1 LEU 20 2HD1 LEU 20 -0.672 -2.188 2.749 167 3HD1 LEU 20 3HD1 LEU 20 -1.485 -2.777 4.199 168 1HD2 LEU 20 1HD2 LEU 20 0.357 -1.473 5.023 169 2HD2 LEU 20 2HD2 LEU 20 1.819 -1.626 4.049 170 3HD2 LEU 20 3HD2 LEU 20 1.704 -2.449 5.605 171 H GLY 21 H GLY 21 1.588 -7.479 4.646 172 1HA GLY 21 2HA GLY 21 1.931 -9.503 5.915 173 2HA GLY 21 1HA GLY 21 1.335 -8.658 7.336 174 H ILE 22 H ILE 22 -0.267 -8.345 4.259 175 HA ILE 22 HA ILE 22 -2.510 -9.925 5.334 176 HB ILE 22 HB ILE 22 -3.967 -8.587 3.837 177 1HG1 ILE 22 2HG1 ILE 22 -1.450 -6.967 3.394 178 2HG1 ILE 22 1HG1 ILE 22 -2.282 -7.933 2.182 179 1HG2 ILE 22 1HG2 ILE 22 -3.099 -7.981 6.302 180 2HG2 ILE 22 2HG2 ILE 22 -4.289 -7.017 5.429 181 3HG2 ILE 22 3HG2 ILE 22 -2.594 -6.527 5.443 182 1HD1 ILE 22 1HD1 ILE 22 -2.627 -5.276 2.544 183 2HD1 ILE 22 2HD1 ILE 22 -3.956 -5.927 3.503 184 3HD1 ILE 22 3HD1 ILE 22 -3.811 -6.348 1.796 185 H SER 23 H SER 23 -4.033 -10.521 3.332 186 HA SER 23 HA SER 23 -2.395 -12.260 1.675 187 1HB SER 23 2HB SER 23 -4.690 -12.779 2.936 188 2HB SER 23 1HB SER 23 -5.364 -12.207 1.410 189 HG SER 23 HG SER 23 -5.007 -14.445 1.343 190 H ASP 24 H ASP 24 -2.882 -12.488 -0.646 191 HA ASP 24 HA ASP 24 -2.582 -10.071 -2.016 192 1HB ASP 24 2HB ASP 24 -3.236 -12.872 -2.872 193 2HB ASP 24 1HB ASP 24 -3.266 -11.563 -4.048 194 H ALA 25 H ALA 25 -5.439 -11.895 -1.172 195 HA ALA 25 HA ALA 25 -7.252 -10.643 -2.939 196 1HB ALA 25 1HB ALA 25 -8.518 -11.419 -0.474 197 2HB ALA 25 2HB ALA 25 -7.370 -12.651 -0.995 198 3HB ALA 25 3HB ALA 25 -8.660 -12.131 -2.080 199 H ALA 26 H ALA 26 -6.231 -9.888 0.365 200 HA ALA 26 HA ALA 26 -8.047 -7.855 0.934 201 1HB ALA 26 1HB ALA 26 -5.261 -8.426 1.876 202 2HB ALA 26 2HB ALA 26 -6.788 -8.589 2.744 203 3HB ALA 26 3HB ALA 26 -6.125 -6.987 2.421 204 H VAL 27 H VAL 27 -4.874 -7.679 -0.648 205 HA VAL 27 HA VAL 27 -4.793 -4.883 -0.942 206 HB VAL 27 HB VAL 27 -3.516 -6.960 -2.727 207 1HG1 VAL 27 1HG1 VAL 27 -2.826 -4.060 -2.260 208 2HG1 VAL 27 2HG1 VAL 27 -3.526 -4.742 -3.728 209 3HG1 VAL 27 3HG1 VAL 27 -1.893 -5.194 -3.239 210 1HG2 VAL 27 1HG2 VAL 27 -2.609 -5.704 -0.149 211 2HG2 VAL 27 2HG2 VAL 27 -1.501 -6.488 -1.274 212 3HG2 VAL 27 3HG2 VAL 27 -2.796 -7.418 -0.522 213 H SER 28 H SER 28 -6.037 -7.440 -3.048 214 HA SER 28 HA SER 28 -6.716 -5.690 -5.190 215 1HB SER 28 2HB SER 28 -7.806 -7.595 -6.182 216 2HB SER 28 1HB SER 28 -6.320 -8.164 -5.419 217 HG SER 28 HG SER 28 -8.257 -9.441 -4.995 218 H GLN 29 H GLN 29 -8.349 -6.813 -2.317 219 HA GLN 29 HA GLN 29 -10.950 -5.958 -3.124 220 1HB GLN 29 2HB GLN 29 -9.822 -7.413 -0.952 221 2HB GLN 29 1HB GLN 29 -10.770 -6.092 -0.284 222 1HG GLN 29 2HG GLN 29 -12.350 -7.725 -0.436 223 2HG GLN 29 1HG GLN 29 -12.570 -6.918 -1.989 224 1HE2 GLN 29 1HE2 GLN 29 -12.140 -9.843 -0.473 225 2HE2 GLN 29 2HE2 GLN 29 -11.680 -10.795 -1.840 226 H TRP 30 H TRP 30 -8.213 -4.283 -2.121 227 HA TRP 30 HA TRP 30 -9.242 -2.270 -0.482 228 1HB TRP 30 2HB TRP 30 -6.930 -2.400 -2.394 229 2HB TRP 30 1HB TRP 30 -7.338 -0.883 -1.603 230 HD1 TRP 30 HD TRP 30 -8.184 -2.915 1.089 231 HE1 TRP 30 1HE TRP 30 -6.214 -3.449 2.659 232 HE3 TRP 30 3HE TRP 30 -4.305 -1.732 -2.030 233 HZ2 TRP 30 2HZ TRP 30 -3.394 -3.377 2.585 234 HZ3 TRP 30 3HZ TRP 30 -2.004 -1.989 -1.201 235 HH2 TRP 30 HH TRP 30 -1.559 -2.796 1.059 236 H LYS 31 H LYS 31 -10.510 -0.558 -0.837 237 HA LYS 31 HA LYS 31 -11.680 -0.197 -3.453 238 1HB LYS 31 2HB LYS 31 -12.150 1.412 -0.939 239 2HB LYS 31 1HB LYS 31 -13.170 1.370 -2.371 240 1HG LYS 31 2HG LYS 31 -13.050 -1.271 -1.659 241 2HG LYS 31 1HG LYS 31 -13.050 -0.450 -0.097 242 1HD LYS 31 2HD LYS 31 -15.050 0.020 -2.307 243 2HD LYS 31 1HD LYS 31 -15.330 -0.989 -0.885 244 1HE LYS 31 2HE LYS 31 -14.720 1.965 -0.866 245 2HE LYS 31 1HE LYS 31 -16.310 1.242 -0.619 246 1HZ LYS 31 1HZ LYS 31 -14.050 1.430 1.201 247 2HZ LYS 31 2HZ LYS 31 -14.890 -0.038 1.230 248 3HZ LYS 31 3HZ LYS 31 -15.710 1.413 1.529 249 H GLU 32 H GLU 32 -12.170 2.499 -3.595 250 HA GLU 32 HA GLU 32 -10.010 3.532 -4.931 251 1HB GLU 32 2HB GLU 32 -12.550 4.479 -4.083 252 2HB GLU 32 1HB GLU 32 -11.370 5.715 -3.672 253 1HG GLU 32 2HG GLU 32 -10.670 5.930 -5.920 254 2HG GLU 32 1HG GLU 32 -11.540 4.472 -6.400 255 H VAL 33 H VAL 33 -10.740 3.760 -1.496 256 HA VAL 33 HA VAL 33 -8.103 5.000 -1.069 257 HB VAL 33 HB VAL 33 -10.480 5.215 0.777 258 1HG1 VAL 33 1HG1 VAL 33 -8.480 5.475 2.007 259 2HG1 VAL 33 2HG1 VAL 33 -9.094 7.103 1.717 260 3HG1 VAL 33 3HG1 VAL 33 -7.755 6.480 0.753 261 1HG2 VAL 33 1HG2 VAL 33 -9.418 7.401 -0.991 262 2HG2 VAL 33 2HG2 VAL 33 -10.910 7.380 -0.055 263 3HG2 VAL 33 3HG2 VAL 33 -10.740 6.350 -1.477 264 H ILE 34 H ILE 34 -6.674 3.745 -0.065 265 HA ILE 34 HA ILE 34 -7.181 1.138 0.754 266 HB ILE 34 HB ILE 34 -4.998 1.387 2.082 267 1HG1 ILE 34 2HG1 ILE 34 -4.840 3.976 0.532 268 2HG1 ILE 34 1HG1 ILE 34 -5.235 3.903 2.247 269 1HG2 ILE 34 1HG2 ILE 34 -5.245 1.803 -0.879 270 2HG2 ILE 34 2HG2 ILE 34 -4.919 0.311 0.003 271 3HG2 ILE 34 3HG2 ILE 34 -3.686 1.567 -0.091 272 1HD1 ILE 34 1HD1 ILE 34 -3.025 2.588 2.453 273 2HD1 ILE 34 2HD1 ILE 34 -2.973 4.340 2.253 274 3HD1 ILE 34 3HD1 ILE 34 -2.661 3.286 0.875 275 HA PRO 35 HA PRO 35 -8.978 0.993 4.751 276 1HB PRO 35 2HB PRO 35 -6.501 -0.408 5.658 277 2HB PRO 35 1HB PRO 35 -8.194 -0.866 5.871 278 1HG PRO 35 2HG PRO 35 -6.698 -2.079 4.045 279 2HG PRO 35 1HG PRO 35 -8.388 -1.668 3.700 280 1HD PRO 35 2HD PRO 35 -5.885 -0.362 2.743 281 2HD PRO 35 1HD PRO 35 -7.440 -0.573 1.913 282 H GLU 36 H GLU 36 -8.679 1.628 7.013 283 HA GLU 36 HA GLU 36 -7.241 4.086 7.211 284 1HB GLU 36 2HB GLU 36 -9.388 3.853 8.301 285 2HB GLU 36 1HB GLU 36 -8.806 2.489 9.247 286 1HG GLU 36 2HG GLU 36 -7.353 5.053 9.518 287 2HG GLU 36 1HG GLU 36 -8.964 4.952 10.220 288 H LYS 37 H LYS 37 -6.771 0.821 8.449 289 HA LYS 37 HA LYS 37 -4.452 1.648 9.994 290 1HB LYS 37 2HB LYS 37 -6.240 -0.651 9.953 291 2HB LYS 37 1HB LYS 37 -4.551 -1.124 10.068 292 1HG LYS 37 2HG LYS 37 -4.597 0.821 11.913 293 2HG LYS 37 1HG LYS 37 -6.268 0.265 12.016 294 1HD LYS 37 2HD LYS 37 -5.307 -2.086 12.180 295 2HD LYS 37 1HD LYS 37 -3.745 -1.311 12.452 296 1HE LYS 37 2HE LYS 37 -4.763 -0.075 14.356 297 2HE LYS 37 1HE LYS 37 -6.235 -1.017 14.125 298 1HZ LYS 37 1HZ LYS 37 -3.580 -2.224 14.663 299 2HZ LYS 37 2HZ LYS 37 -5.077 -3.009 14.656 300 3HZ LYS 37 3HZ LYS 37 -4.717 -1.887 15.869 301 H ASP 38 H ASP 38 -5.129 0.384 6.873 302 HA ASP 38 HA ASP 38 -2.555 -0.850 6.506 303 1HB ASP 38 2HB ASP 38 -4.813 -0.195 4.611 304 2HB ASP 38 1HB ASP 38 -3.300 -0.919 4.074 305 H ALA 39 H ALA 39 -4.107 2.184 5.590 306 HA ALA 39 HA ALA 39 -2.010 3.184 3.992 307 1HB ALA 39 1HB ALA 39 -4.334 4.061 4.011 308 2HB ALA 39 2HB ALA 39 -3.104 5.315 4.163 309 3HB ALA 39 3HB ALA 39 -4.005 4.787 5.584 310 H TYR 40 H TYR 40 -2.438 2.981 7.427 311 HA TYR 40 HA TYR 40 -0.666 5.056 8.178 312 1HB TYR 40 2HB TYR 40 -2.291 4.127 9.744 313 2HB TYR 40 1HB TYR 40 -1.479 2.561 9.684 314 HD1 TYR 40 1HD TYR 40 -0.886 6.131 10.568 315 HD2 TYR 40 2HD TYR 40 0.197 2.071 11.221 316 HE1 TYR 40 1HE TYR 40 0.573 6.828 12.417 317 HE2 TYR 40 2HE TYR 40 1.659 2.754 13.078 318 HH TYR 40 HH TYR 40 1.550 5.131 14.731 319 H ARG 41 H ARG 41 -0.059 1.598 8.754 320 HA ARG 41 HA ARG 41 2.675 1.790 9.043 321 1HB ARG 41 2HB ARG 41 2.726 -0.646 8.423 322 2HB ARG 41 1HB ARG 41 1.585 -0.224 9.692 323 1HG ARG 41 2HG ARG 41 -0.230 -0.241 8.028 324 2HG ARG 41 1HG ARG 41 0.933 -0.745 6.798 325 1HD ARG 41 2HD ARG 41 1.215 -2.840 7.734 326 2HD ARG 41 1HD ARG 41 0.673 -2.311 9.328 327 HE ARG 41 HE ARG 41 -1.372 -2.217 7.307 328 1HH1 ARG 41 1HH1 ARG 41 0.215 -4.215 9.687 329 2HH1 ARG 41 2HH1 ARG 41 -1.129 -5.292 9.861 330 1HH2 ARG 41 1HH2 ARG 41 -3.141 -3.632 7.535 331 2HH2 ARG 41 2HH2 ARG 41 -3.035 -4.962 8.640 332 H LEU 42 H LEU 42 0.810 1.844 6.125 333 HA LEU 42 HA LEU 42 2.713 1.028 4.257 334 1HB LEU 42 2HB LEU 42 0.268 2.690 4.211 335 2HB LEU 42 1HB LEU 42 1.376 2.926 2.872 336 HG LEU 42 HG LEU 42 0.234 0.250 3.675 337 1HD1 LEU 42 1HD1 LEU 42 -0.770 2.391 1.896 338 2HD1 LEU 42 2HD1 LEU 42 -1.652 1.186 2.836 339 3HD1 LEU 42 3HD1 LEU 42 -0.892 0.733 1.310 340 1HD2 LEU 42 1HD2 LEU 42 1.927 1.180 1.371 341 2HD2 LEU 42 2HD2 LEU 42 1.017 -0.330 1.342 342 3HD2 LEU 42 3HD2 LEU 42 2.282 -0.084 2.546 343 H GLU 43 H GLU 43 2.236 4.145 5.831 344 HA GLU 43 HA GLU 43 4.013 5.646 4.246 345 1HB GLU 43 2HB GLU 43 2.330 6.586 5.841 346 2HB GLU 43 1HB GLU 43 3.371 6.082 7.165 347 1HG GLU 43 2HG GLU 43 5.175 7.505 6.129 348 2HG GLU 43 1HG GLU 43 3.927 8.150 5.064 349 H ILE 44 H ILE 44 4.516 3.481 6.937 350 HA ILE 44 HA ILE 44 7.238 4.289 7.406 351 HB ILE 44 HB ILE 44 5.910 1.741 8.314 352 1HG1 ILE 44 2HG1 ILE 44 5.644 4.556 9.249 353 2HG1 ILE 44 1HG1 ILE 44 4.464 3.251 9.269 354 1HG2 ILE 44 1HG2 ILE 44 7.588 1.692 10.014 355 2HG2 ILE 44 2HG2 ILE 44 8.178 3.290 9.555 356 3HG2 ILE 44 3HG2 ILE 44 8.398 1.921 8.465 357 1HD1 ILE 44 1HD1 ILE 44 6.694 3.767 11.204 358 2HD1 ILE 44 2HD1 ILE 44 5.822 2.235 11.141 359 3HD1 ILE 44 3HD1 ILE 44 4.958 3.729 11.513 360 H VAL 45 H VAL 45 5.668 1.444 5.964 361 HA VAL 45 HA VAL 45 7.993 0.064 5.249 362 HB VAL 45 HB VAL 45 5.414 -0.576 5.168 363 1HG1 VAL 45 1HG1 VAL 45 4.541 -0.767 2.941 364 2HG1 VAL 45 2HG1 VAL 45 6.015 -0.081 2.260 365 3HG1 VAL 45 3HG1 VAL 45 4.952 0.919 3.249 366 1HG2 VAL 45 1HG2 VAL 45 7.159 -1.920 3.153 367 2HG2 VAL 45 2HG2 VAL 45 6.055 -2.628 4.334 368 3HG2 VAL 45 3HG2 VAL 45 7.598 -1.954 4.861 369 H THR 46 H THR 46 6.132 2.507 3.535 370 HA THR 46 HA THR 46 7.737 2.339 1.153 371 HB THR 46 HB THR 46 6.349 4.236 0.406 372 HG1 THR 46 1HG THR 46 5.771 5.430 2.062 373 1HG2 THR 46 1HG2 THR 46 4.221 3.152 0.330 374 2HG2 THR 46 2HG2 THR 46 4.647 2.132 1.704 375 3HG2 THR 46 3HG2 THR 46 5.486 1.933 0.165 376 H ALA 47 H ALA 47 9.066 3.090 3.735 377 HA ALA 47 HA ALA 47 10.585 4.582 4.547 378 1HB ALA 47 1HB ALA 47 11.828 3.890 2.627 379 2HB ALA 47 2HB ALA 47 12.032 5.633 2.807 380 3HB ALA 47 3HB ALA 47 10.933 4.995 1.583 381 H GLY 48 H GLY 48 7.807 5.558 4.142 382 1HA GLY 48 2HA GLY 48 6.759 7.547 4.675 383 2HA GLY 48 1HA GLY 48 8.333 8.325 4.700 384 H ALA 49 H ALA 49 7.422 6.532 1.884 385 HA ALA 49 HA ALA 49 7.776 8.714 0.154 386 1HB ALA 49 1HB ALA 49 8.060 6.436 -0.611 387 2HB ALA 49 2HB ALA 49 6.828 7.242 -1.582 388 3HB ALA 49 3HB ALA 49 6.352 6.099 -0.326 389 H LEU 50 H LEU 50 4.773 7.043 1.102 390 HA LEU 50 HA LEU 50 3.174 9.187 -0.022 391 1HB LEU 50 2HB LEU 50 2.376 6.662 1.429 392 2HB LEU 50 1HB LEU 50 1.254 7.793 0.694 393 HG LEU 50 HG LEU 50 3.365 6.651 -1.058 394 1HD1 LEU 50 1HD1 LEU 50 2.739 4.651 0.057 395 2HD1 LEU 50 2HD1 LEU 50 1.874 4.672 -1.479 396 3HD1 LEU 50 3HD1 LEU 50 1.030 5.082 0.013 397 1HD2 LEU 50 1HD2 LEU 50 0.442 7.313 -1.385 398 2HD2 LEU 50 2HD2 LEU 50 1.478 6.669 -2.659 399 3HD2 LEU 50 3HD2 LEU 50 1.814 8.254 -1.965 400 H LYS 51 H LYS 51 1.328 10.044 1.340 401 HA LYS 51 HA LYS 51 2.238 10.523 4.102 402 1HB LYS 51 2HB LYS 51 1.154 12.803 3.844 403 2HB LYS 51 1HB LYS 51 2.654 12.552 2.961 404 1HG LYS 51 2HG LYS 51 0.265 11.873 1.427 405 2HG LYS 51 1HG LYS 51 0.343 13.565 1.918 406 1HD LYS 51 2HD LYS 51 2.649 13.663 0.981 407 2HD LYS 51 1HD LYS 51 2.423 12.022 0.372 408 1HE LYS 51 2HE LYS 51 0.658 14.363 -0.331 409 2HE LYS 51 1HE LYS 51 2.004 13.799 -1.321 410 1HZ LYS 51 1HZ LYS 51 0.917 11.760 -1.721 411 2HZ LYS 51 2HZ LYS 51 -0.253 12.957 -1.966 412 3HZ LYS 51 3HZ LYS 51 -0.258 12.051 -0.539 413 H TYR 52 H TYR 52 0.821 9.981 5.621 414 HA TYR 52 HA TYR 52 -1.761 8.981 4.933 415 1HB TYR 52 2HB TYR 52 -0.253 8.203 6.853 416 2HB TYR 52 1HB TYR 52 -0.829 9.617 7.729 417 HD1 TYR 52 1HD TYR 52 -1.501 6.228 6.832 418 HD2 TYR 52 2HD TYR 52 -3.362 9.847 8.072 419 HE1 TYR 52 1HE TYR 52 -3.480 4.959 7.555 420 HE2 TYR 52 2HE TYR 52 -5.341 8.589 8.800 421 HH TYR 52 HH TYR 52 -6.408 6.556 8.607 422 H GLN 53 H GLN 53 -3.677 9.960 4.937 423 HA GLN 53 HA GLN 53 -3.880 12.642 6.142 424 1HB GLN 53 2HB GLN 53 -4.902 11.651 3.486 425 2HB GLN 53 1HB GLN 53 -5.595 13.062 4.274 426 1HG GLN 53 2HG GLN 53 -2.850 13.498 4.327 427 2HG GLN 53 1HG GLN 53 -3.171 12.811 2.735 428 1HE2 GLN 53 1HE2 GLN 53 -3.267 14.403 1.326 429 2HE2 GLN 53 2HE2 GLN 53 -4.127 15.889 1.524 430 H GLU 54 H GLU 54 -5.410 12.797 7.651 431 HA GLU 54 HA GLU 54 -7.270 10.600 8.015 432 1HB GLU 54 2HB GLU 54 -6.193 12.783 9.674 433 2HB GLU 54 1HB GLU 54 -7.868 12.362 10.005 434 1HG GLU 54 2HG GLU 54 -6.518 9.927 9.817 435 2HG GLU 54 1HG GLU 54 -5.451 10.990 10.736 436 H ASN 55 H ASN 55 -7.658 12.424 5.737 437 HA ASN 55 HA ASN 55 -10.050 13.909 6.449 438 1HB ASN 55 2HB ASN 55 -8.420 13.684 3.926 439 2HB ASN 55 1HB ASN 55 -9.993 14.476 3.943 440 1HD2 ASN 55 1HD2 ASN 55 -10.170 16.498 4.729 441 2HD2 ASN 55 2HD2 ASN 55 -8.849 17.421 5.351 442 H ALA 56 H ALA 56 -9.085 11.057 4.645 443 HA ALA 56 HA ALA 56 -11.840 10.523 3.863 444 1HB ALA 56 1HB ALA 56 -9.555 10.163 2.494 445 2HB ALA 56 2HB ALA 56 -11.030 9.251 2.191 446 3HB ALA 56 3HB ALA 56 -9.759 8.557 3.196 447 H TYR 57 H TYR 57 -9.627 9.697 6.318 448 HA TYR 57 HA TYR 57 -10.970 7.184 6.949 449 1HB TYR 57 2HB TYR 57 -8.683 8.463 8.440 450 2HB TYR 57 1HB TYR 57 -9.207 6.785 8.509 451 HD1 TYR 57 1HD TYR 57 -9.321 5.732 5.960 452 HD2 TYR 57 2HD TYR 57 -6.690 8.783 7.335 453 HE1 TYR 57 1HE TYR 57 -7.731 5.155 4.177 454 HE2 TYR 57 2HE TYR 57 -5.093 8.212 5.554 455 HH TYR 57 HH TYR 57 -5.903 6.117 2.957 456 H ARG 58 H ARG 58 -12.170 9.948 7.260 457 HA ARG 58 HA ARG 58 -12.700 9.865 10.153 458 1HB ARG 58 2HB ARG 58 -12.450 12.062 8.194 459 2HB ARG 58 1HB ARG 58 -13.760 12.235 9.353 460 1HG ARG 58 2HG ARG 58 -12.180 11.997 11.192 461 2HG ARG 58 1HG ARG 58 -10.860 11.804 10.036 462 1HD ARG 58 2HD ARG 58 -11.250 14.039 9.180 463 2HD ARG 58 1HD ARG 58 -12.630 14.235 10.250 464 HE ARG 58 HE ARG 58 -9.883 14.565 10.928 465 1HH1 ARG 58 1HH1 ARG 58 -13.000 13.649 12.200 466 2HH1 ARG 58 2HH1 ARG 58 -12.600 14.081 13.829 467 1HH2 ARG 58 1HH2 ARG 58 -9.358 15.135 13.070 468 2HH2 ARG 58 2HH2 ARG 58 -10.530 14.926 14.323 469 H GLN 59 H GLN 59 -15.030 11.103 10.430 470 HA GLN 59 HA GLN 59 -16.970 9.984 8.576 471 1HB GLN 59 2HB GLN 59 -16.340 8.401 10.620 472 2HB GLN 59 1HB GLN 59 -17.480 9.441 11.463 473 1HG GLN 59 2HG GLN 59 -19.270 8.690 10.266 474 2HG GLN 59 1HG GLN 59 -18.300 8.288 8.852 475 1HE2 GLN 59 1HE2 GLN 59 -20.250 6.856 10.793 476 2HE2 GLN 59 2HE2 GLN 59 -19.470 5.345 11.076 477 H ALA 60 H ALA 60 -18.660 11.310 8.301 478 HA ALA 60 HA ALA 60 -20.030 13.111 8.506 479 1HB ALA 60 1HB ALA 60 -19.560 12.751 11.464 480 2HB ALA 60 2HB ALA 60 -20.770 11.893 10.512 481 3HB ALA 60 3HB ALA 60 -20.890 13.641 10.713 482 H ALA 61 H ALA 61 -20.180 15.392 9.619 483 HA ALA 61 HA ALA 61 -17.550 16.513 10.189 484 1HB ALA 61 1HB ALA 61 -19.040 18.031 8.146 485 2HB ALA 61 2HB ALA 61 -18.300 16.522 7.608 486 3HB ALA 61 3HB ALA 61 -17.300 17.779 8.337 Start of MODEL 21 1 1H MET 1 1HT MET 1 -6.136 8.484 0.562 2 2H MET 1 2HT MET 1 -5.236 8.071 1.962 3 3H MET 1 3HT MET 1 -6.442 7.004 1.370 4 HA MET 1 HA MET 1 -4.127 7.789 -0.244 5 1HB MET 1 2HB MET 1 -3.533 6.797 2.038 6 2HB MET 1 1HB MET 1 -4.307 5.320 1.480 7 1HG MET 1 2HG MET 1 -2.042 4.991 1.060 8 2HG MET 1 1HG MET 1 -2.718 5.436 -0.506 9 1HE MET 1 1HE MET 1 -1.516 8.521 2.288 10 2HE MET 1 2HE MET 1 -0.019 7.589 2.317 11 3HE MET 1 3HE MET 1 -1.552 6.809 2.705 12 H TYR 2 H TYR 2 -4.633 7.251 -2.256 13 HA TYR 2 HA TYR 2 -6.772 5.445 -2.864 14 1HB TYR 2 2HB TYR 2 -4.741 6.778 -4.666 15 2HB TYR 2 1HB TYR 2 -6.154 5.889 -5.225 16 HD1 TYR 2 1HD TYR 2 -5.151 8.967 -5.377 17 HD2 TYR 2 2HD TYR 2 -8.198 6.847 -3.297 18 HE1 TYR 2 1HE TYR 2 -6.491 11.026 -5.249 19 HE2 TYR 2 2HE TYR 2 -9.546 8.899 -3.166 20 HH TYR 2 HH TYR 2 -9.773 11.029 -4.300 21 H LYS 3 H LYS 3 -6.683 3.386 -3.664 22 HA LYS 3 HA LYS 3 -4.553 1.738 -2.914 23 1HB LYS 3 2HB LYS 3 -6.999 1.119 -3.420 24 2HB LYS 3 1HB LYS 3 -6.492 1.024 -5.102 25 1HG LYS 3 2HG LYS 3 -4.919 -0.476 -3.080 26 2HG LYS 3 1HG LYS 3 -6.509 -1.093 -3.534 27 1HD LYS 3 2HD LYS 3 -4.702 -0.279 -5.736 28 2HD LYS 3 1HD LYS 3 -4.272 -1.741 -4.846 29 1HE LYS 3 2HE LYS 3 -5.652 -2.749 -6.306 30 2HE LYS 3 1HE LYS 3 -6.917 -2.148 -5.237 31 1HZ LYS 3 1HZ LYS 3 -6.177 -1.276 -7.908 32 2HZ LYS 3 2HZ LYS 3 -6.594 -0.048 -6.823 33 3HZ LYS 3 3HZ LYS 3 -7.691 -1.292 -7.154 34 H LYS 4 H LYS 4 -5.359 3.186 -6.035 35 HA LYS 4 HA LYS 4 -3.563 1.881 -7.678 36 1HB LYS 4 2HB LYS 4 -5.266 3.479 -8.467 37 2HB LYS 4 1HB LYS 4 -4.332 4.803 -7.787 38 1HG LYS 4 2HG LYS 4 -2.435 3.974 -9.307 39 2HG LYS 4 1HG LYS 4 -3.702 3.075 -10.147 40 1HD LYS 4 2HD LYS 4 -3.784 5.001 -11.358 41 2HD LYS 4 1HD LYS 4 -4.894 5.453 -10.060 42 1HE LYS 4 2HE LYS 4 -3.020 6.523 -8.870 43 2HE LYS 4 1HE LYS 4 -1.954 6.118 -10.215 44 1HZ LYS 4 1HZ LYS 4 -2.582 8.289 -10.647 45 2HZ LYS 4 2HZ LYS 4 -4.179 8.054 -10.143 46 3HZ LYS 4 3HZ LYS 4 -3.652 7.404 -11.613 47 H ASP 5 H ASP 5 -2.996 4.643 -5.545 48 HA ASP 5 HA ASP 5 -0.384 5.242 -6.364 49 1HB ASP 5 2HB ASP 5 -2.154 6.246 -4.490 50 2HB ASP 5 1HB ASP 5 -0.841 5.615 -3.499 51 H VAL 6 H VAL 6 -1.503 3.191 -3.672 52 HA VAL 6 HA VAL 6 0.984 2.377 -2.753 53 HB VAL 6 HB VAL 6 -1.395 0.545 -2.731 54 1HG1 VAL 6 1HG1 VAL 6 -0.493 0.227 -0.373 55 2HG1 VAL 6 2HG1 VAL 6 0.926 1.108 -0.931 56 3HG1 VAL 6 3HG1 VAL 6 0.472 -0.411 -1.703 57 1HG2 VAL 6 1HG2 VAL 6 -1.966 1.830 -0.554 58 2HG2 VAL 6 2HG2 VAL 6 -2.496 2.490 -2.101 59 3HG2 VAL 6 3HG2 VAL 6 -1.073 3.156 -1.300 60 H ILE 7 H ILE 7 -1.093 0.992 -5.260 61 HA ILE 7 HA ILE 7 0.524 -1.295 -5.737 62 HB ILE 7 HB ILE 7 -1.481 0.043 -7.561 63 1HG1 ILE 7 2HG1 ILE 7 -2.505 -0.644 -5.468 64 2HG1 ILE 7 1HG1 ILE 7 -3.012 -1.734 -6.754 65 1HG2 ILE 7 1HG2 ILE 7 -1.578 -2.104 -8.722 66 2HG2 ILE 7 2HG2 ILE 7 -0.311 -2.734 -7.669 67 3HG2 ILE 7 3HG2 ILE 7 0.045 -1.414 -8.784 68 1HD1 ILE 7 1HD1 ILE 7 -0.743 -2.921 -5.688 69 2HD1 ILE 7 2HD1 ILE 7 -2.419 -3.402 -5.428 70 3HD1 ILE 7 3HD1 ILE 7 -1.629 -2.304 -4.296 71 H ASP 8 H ASP 8 0.410 1.942 -7.126 72 HA ASP 8 HA ASP 8 2.269 1.373 -9.223 73 1HB ASP 8 2HB ASP 8 0.543 3.494 -8.560 74 2HB ASP 8 1HB ASP 8 2.165 4.175 -8.515 75 H HIS 9 H HIS 9 2.473 2.274 -5.898 76 HA HIS 9 HA HIS 9 5.200 3.191 -6.069 77 1HB HIS 9 2HB HIS 9 3.803 4.237 -4.411 78 2HB HIS 9 1HB HIS 9 3.361 2.678 -3.725 79 HD1 HIS 9 1HD HIS 9 5.561 5.436 -3.163 80 HD2 HIS 9 2HD HIS 9 5.810 1.325 -2.615 81 HE1 HIS 9 1HE HIS 9 7.433 5.087 -1.518 82 HE2 HIS 9 2HE HIS 9 7.507 2.598 -1.139 83 H PHE 10 H PHE 10 3.511 0.228 -5.488 84 HA PHE 10 HA PHE 10 5.925 -1.069 -4.472 85 1HB PHE 10 2HB PHE 10 3.033 -1.891 -4.597 86 2HB PHE 10 1HB PHE 10 4.305 -3.061 -4.267 87 HD1 PHE 10 1HD PHE 10 3.885 0.458 -3.125 88 HD2 PHE 10 2HD PHE 10 4.107 -3.653 -2.048 89 HE1 PHE 10 1HE PHE 10 3.832 1.083 -0.749 90 HE2 PHE 10 2HE PHE 10 4.056 -3.035 0.332 91 HZ PHE 10 HZ PHE 10 3.919 -0.664 0.986 92 H GLY 11 H GLY 11 3.580 -1.306 -7.120 93 1HA GLY 11 2HA GLY 11 4.452 -1.739 -9.359 94 2HA GLY 11 1HA GLY 11 5.594 -2.856 -8.625 95 H THR 12 H THR 12 3.467 -3.906 -6.820 96 HA THR 12 HA THR 12 1.584 -5.166 -8.630 97 HB THR 12 HB THR 12 2.254 -7.459 -7.891 98 HG1 THR 12 1HG THR 12 4.403 -6.008 -6.770 99 1HG2 THR 12 1HG2 THR 12 4.384 -5.920 -9.352 100 2HG2 THR 12 2HG2 THR 12 2.997 -6.741 -10.066 101 3HG2 THR 12 3HG2 THR 12 4.266 -7.676 -9.276 102 H GLN 13 H GLN 13 0.362 -6.964 -7.232 103 HA GLN 13 HA GLN 13 -0.627 -5.521 -4.911 104 1HB GLN 13 2HB GLN 13 -1.655 -8.091 -6.124 105 2HB GLN 13 1HB GLN 13 -2.487 -7.075 -4.954 106 1HG GLN 13 2HG GLN 13 -2.303 -5.241 -6.752 107 2HG GLN 13 1HG GLN 13 -1.975 -6.575 -7.855 108 1HE2 GLN 13 1HE2 GLN 13 -3.632 -8.512 -6.811 109 2HE2 GLN 13 2HE2 GLN 13 -5.278 -8.030 -7.025 110 H ARG 14 H ARG 14 0.543 -8.801 -5.653 111 HA ARG 14 HA ARG 14 0.478 -9.882 -3.113 112 1HB ARG 14 2HB ARG 14 1.160 -10.912 -5.420 113 2HB ARG 14 1HB ARG 14 2.787 -10.467 -4.931 114 1HG ARG 14 2HG ARG 14 2.913 -12.369 -3.810 115 2HG ARG 14 1HG ARG 14 1.663 -11.765 -2.721 116 1HD ARG 14 2HD ARG 14 1.094 -13.961 -3.670 117 2HD ARG 14 1HD ARG 14 -0.065 -12.714 -4.127 118 HE ARG 14 HE ARG 14 2.028 -13.109 -6.056 119 1HH1 ARG 14 1HH1 ARG 14 -1.109 -14.194 -4.978 120 2HH1 ARG 14 2HH1 ARG 14 -1.554 -14.842 -6.521 121 1HH2 ARG 14 1HH2 ARG 14 1.444 -13.960 -8.086 122 2HH2 ARG 14 2HH2 ARG 14 -0.104 -14.709 -8.285 123 H ALA 15 H ALA 15 2.726 -7.592 -4.473 124 HA ALA 15 HA ALA 15 4.831 -7.868 -2.634 125 1HB ALA 15 1HB ALA 15 3.931 -5.447 -4.188 126 2HB ALA 15 2HB ALA 15 5.128 -6.641 -4.690 127 3HB ALA 15 3HB ALA 15 5.461 -5.579 -3.323 128 H VAL 16 H VAL 16 2.021 -5.687 -2.622 129 HA VAL 16 HA VAL 16 2.622 -4.350 -0.242 130 HB VAL 16 HB VAL 16 -0.251 -4.823 -0.756 131 1HG1 VAL 16 1HG1 VAL 16 0.249 -3.156 0.794 132 2HG1 VAL 16 2HG1 VAL 16 -0.137 -2.270 -0.682 133 3HG1 VAL 16 3HG1 VAL 16 1.545 -2.496 -0.202 134 1HG2 VAL 16 1HG2 VAL 16 1.585 -3.740 -2.854 135 2HG2 VAL 16 2HG2 VAL 16 -0.040 -3.078 -2.682 136 3HG2 VAL 16 3HG2 VAL 16 0.181 -4.794 -3.027 137 H ALA 17 H ALA 17 1.103 -7.439 -0.841 138 HA ALA 17 HA ALA 17 -0.036 -7.857 1.696 139 1HB ALA 17 1HB ALA 17 0.621 -10.376 0.827 140 2HB ALA 17 2HB ALA 17 0.532 -9.456 -0.675 141 3HB ALA 17 3HB ALA 17 -0.852 -9.498 0.417 142 H LYS 18 H LYS 18 3.227 -8.184 0.513 143 HA LYS 18 HA LYS 18 4.172 -9.745 2.724 144 1HB LYS 18 2HB LYS 18 5.196 -8.853 0.221 145 2HB LYS 18 1HB LYS 18 6.310 -8.326 1.475 146 1HG LYS 18 2HG LYS 18 6.819 -10.482 2.116 147 2HG LYS 18 1HG LYS 18 5.327 -11.144 1.446 148 1HD LYS 18 2HD LYS 18 6.159 -10.748 -0.816 149 2HD LYS 18 1HD LYS 18 7.644 -10.059 -0.157 150 1HE LYS 18 2HE LYS 18 8.529 -12.077 0.264 151 2HE LYS 18 1HE LYS 18 7.009 -12.717 0.885 152 1HZ LYS 18 1HZ LYS 18 8.008 -12.668 -1.883 153 2HZ LYS 18 2HZ LYS 18 6.342 -12.711 -1.598 154 3HZ LYS 18 3HZ LYS 18 7.331 -13.950 -1.013 155 H ALA 19 H ALA 19 4.375 -6.322 1.803 156 HA ALA 19 HA ALA 19 5.928 -5.441 3.955 157 1HB ALA 19 1HB ALA 19 5.800 -3.760 2.458 158 2HB ALA 19 2HB ALA 19 4.422 -3.262 3.439 159 3HB ALA 19 3HB ALA 19 4.161 -4.186 1.960 160 H LEU 20 H LEU 20 2.395 -5.603 3.606 161 HA LEU 20 HA LEU 20 1.995 -4.742 6.341 162 1HB LEU 20 2HB LEU 20 0.215 -5.414 4.037 163 2HB LEU 20 1HB LEU 20 -0.456 -5.409 5.657 164 HG LEU 20 HG LEU 20 1.066 -3.021 4.695 165 1HD1 LEU 20 1HD1 LEU 20 -0.903 -2.070 3.717 166 2HD1 LEU 20 2HD1 LEU 20 -1.859 -3.490 4.144 167 3HD1 LEU 20 3HD1 LEU 20 -0.584 -3.617 2.933 168 1HD2 LEU 20 1HD2 LEU 20 -1.128 -3.551 6.679 169 2HD2 LEU 20 2HD2 LEU 20 -0.690 -1.924 6.159 170 3HD2 LEU 20 3HD2 LEU 20 0.497 -2.939 6.980 171 H GLY 21 H GLY 21 2.020 -7.716 4.510 172 1HA GLY 21 2HA GLY 21 2.393 -9.843 5.446 173 2HA GLY 21 1HA GLY 21 1.905 -9.216 7.013 174 H ILE 22 H ILE 22 -0.029 -8.627 4.185 175 HA ILE 22 HA ILE 22 -2.082 -10.431 5.280 176 HB ILE 22 HB ILE 22 -3.719 -9.047 4.035 177 1HG1 ILE 22 2HG1 ILE 22 -1.381 -7.184 3.569 178 2HG1 ILE 22 1HG1 ILE 22 -2.095 -8.211 2.329 179 1HG2 ILE 22 1HG2 ILE 22 -3.934 -7.543 5.731 180 2HG2 ILE 22 2HG2 ILE 22 -2.224 -7.110 5.713 181 3HG2 ILE 22 3HG2 ILE 22 -2.743 -8.622 6.459 182 1HD1 ILE 22 1HD1 ILE 22 -3.840 -6.320 3.825 183 2HD1 ILE 22 2HD1 ILE 22 -3.993 -6.939 2.181 184 3HD1 ILE 22 3HD1 ILE 22 -2.786 -5.708 2.549 185 H SER 23 H SER 23 -3.757 -10.902 3.343 186 HA SER 23 HA SER 23 -2.205 -12.443 1.430 187 1HB SER 23 2HB SER 23 -4.745 -13.057 0.794 188 2HB SER 23 1HB SER 23 -3.883 -13.831 2.124 189 HG SER 23 HG SER 23 -5.894 -13.093 2.829 190 H ASP 24 H ASP 24 -2.876 -12.493 -0.863 191 HA ASP 24 HA ASP 24 -2.716 -9.965 -2.041 192 1HB ASP 24 2HB ASP 24 -3.391 -11.198 -4.158 193 2HB ASP 24 1HB ASP 24 -1.979 -11.828 -3.315 194 H ALA 25 H ALA 25 -5.472 -11.887 -1.104 195 HA ALA 25 HA ALA 25 -7.452 -10.583 -2.619 196 1HB ALA 25 1HB ALA 25 -8.316 -12.488 -1.748 197 2HB ALA 25 2HB ALA 25 -8.864 -11.375 -0.495 198 3HB ALA 25 3HB ALA 25 -7.412 -12.341 -0.241 199 H ALA 26 H ALA 26 -6.232 -9.981 0.660 200 HA ALA 26 HA ALA 26 -7.981 -7.924 1.366 201 1HB ALA 26 1HB ALA 26 -5.217 -8.666 2.236 202 2HB ALA 26 2HB ALA 26 -6.735 -8.756 3.130 203 3HB ALA 26 3HB ALA 26 -5.976 -7.191 2.837 204 H VAL 27 H VAL 27 -4.989 -7.860 -0.487 205 HA VAL 27 HA VAL 27 -4.836 -5.000 -0.601 206 HB VAL 27 HB VAL 27 -3.472 -7.028 -2.378 207 1HG1 VAL 27 1HG1 VAL 27 -1.856 -5.248 -2.801 208 2HG1 VAL 27 2HG1 VAL 27 -2.791 -4.150 -1.786 209 3HG1 VAL 27 3HG1 VAL 27 -3.479 -4.758 -3.292 210 1HG2 VAL 27 1HG2 VAL 27 -2.759 -7.590 -0.233 211 2HG2 VAL 27 2HG2 VAL 27 -2.759 -5.913 0.312 212 3HG2 VAL 27 3HG2 VAL 27 -1.513 -6.478 -0.800 213 H SER 28 H SER 28 -5.895 -7.547 -2.835 214 HA SER 28 HA SER 28 -6.543 -5.775 -4.958 215 1HB SER 28 2HB SER 28 -6.113 -8.277 -5.139 216 2HB SER 28 1HB SER 28 -7.745 -8.512 -4.512 217 HG SER 28 HG SER 28 -8.527 -7.343 -6.301 218 H GLN 29 H GLN 29 -8.271 -6.958 -2.165 219 HA GLN 29 HA GLN 29 -10.870 -6.202 -3.037 220 1HB GLN 29 2HB GLN 29 -10.240 -7.854 -1.181 221 2HB GLN 29 1HB GLN 29 -10.010 -6.441 -0.162 222 1HG GLN 29 2HG GLN 29 -12.380 -5.788 -0.775 223 2HG GLN 29 1HG GLN 29 -12.540 -7.412 -1.440 224 1HE2 GLN 29 1HE2 GLN 29 -12.530 -9.181 -0.051 225 2HE2 GLN 29 2HE2 GLN 29 -12.780 -9.015 1.650 226 H TRP 30 H TRP 30 -8.204 -4.450 -1.775 227 HA TRP 30 HA TRP 30 -9.371 -2.365 -0.396 228 1HB TRP 30 2HB TRP 30 -6.950 -2.483 -2.177 229 2HB TRP 30 1HB TRP 30 -7.425 -0.985 -1.384 230 HD1 TRP 30 HD TRP 30 -8.370 -3.083 1.225 231 HE1 TRP 30 1HE TRP 30 -6.474 -3.603 2.886 232 HE3 TRP 30 3HE TRP 30 -4.368 -1.757 -1.668 233 HZ2 TRP 30 2HZ TRP 30 -3.655 -3.471 2.960 234 HZ3 TRP 30 3HZ TRP 30 -2.107 -1.983 -0.727 235 HH2 TRP 30 HH TRP 30 -1.759 -2.822 1.538 236 H LYS 31 H LYS 31 -10.810 -0.865 -0.916 237 HA LYS 31 HA LYS 31 -11.660 -0.541 -3.647 238 1HB LYS 31 2HB LYS 31 -12.750 -0.066 -1.047 239 2HB LYS 31 1HB LYS 31 -12.840 1.431 -1.965 240 1HG LYS 31 2HG LYS 31 -13.710 -0.992 -3.393 241 2HG LYS 31 1HG LYS 31 -14.720 -0.490 -2.037 242 1HD LYS 31 2HD LYS 31 -14.290 1.884 -3.288 243 2HD LYS 31 1HD LYS 31 -14.300 0.773 -4.658 244 1HE LYS 31 2HE LYS 31 -16.490 0.186 -4.340 245 2HE LYS 31 1HE LYS 31 -16.440 0.499 -2.606 246 1HZ LYS 31 1HZ LYS 31 -16.210 2.730 -4.516 247 2HZ LYS 31 2HZ LYS 31 -16.750 2.748 -2.914 248 3HZ LYS 31 3HZ LYS 31 -17.730 2.098 -4.132 249 H GLU 32 H GLU 32 -12.350 2.150 -3.737 250 HA GLU 32 HA GLU 32 -10.160 3.353 -4.864 251 1HB GLU 32 2HB GLU 32 -12.800 4.058 -4.407 252 2HB GLU 32 1HB GLU 32 -11.890 5.310 -3.576 253 1HG GLU 32 2HG GLU 32 -10.610 5.687 -5.667 254 2HG GLU 32 1HG GLU 32 -11.670 4.530 -6.472 255 H VAL 33 H VAL 33 -11.080 3.268 -1.491 256 HA VAL 33 HA VAL 33 -8.594 4.690 -0.830 257 HB VAL 33 HB VAL 33 -11.140 4.864 0.776 258 1HG1 VAL 33 1HG1 VAL 33 -8.379 5.834 1.132 259 2HG1 VAL 33 2HG1 VAL 33 -9.587 5.382 2.333 260 3HG1 VAL 33 3HG1 VAL 33 -9.669 6.961 1.552 261 1HG2 VAL 33 1HG2 VAL 33 -10.890 7.346 -0.076 262 2HG2 VAL 33 2HG2 VAL 33 -11.740 6.133 -1.034 263 3HG2 VAL 33 3HG2 VAL 33 -10.070 6.557 -1.427 264 H ILE 34 H ILE 34 -7.243 3.247 0.015 265 HA ILE 34 HA ILE 34 -7.937 0.754 1.062 266 HB ILE 34 HB ILE 34 -5.655 0.680 2.001 267 1HG1 ILE 34 2HG1 ILE 34 -5.460 3.531 1.007 268 2HG1 ILE 34 1HG1 ILE 34 -5.523 3.048 2.699 269 1HG2 ILE 34 1HG2 ILE 34 -5.647 -0.037 -0.177 270 2HG2 ILE 34 2HG2 ILE 34 -4.500 1.298 -0.261 271 3HG2 ILE 34 3HG2 ILE 34 -6.160 1.528 -0.809 272 1HD1 ILE 34 1HD1 ILE 34 -3.369 2.203 0.781 273 2HD1 ILE 34 2HD1 ILE 34 -3.409 1.950 2.525 274 3HD1 ILE 34 3HD1 ILE 34 -3.250 3.582 1.873 275 HA PRO 35 HA PRO 35 -9.313 1.142 5.219 276 1HB PRO 35 2HB PRO 35 -6.896 -0.405 6.049 277 2HB PRO 35 1HB PRO 35 -8.597 -0.681 6.441 278 1HG PRO 35 2HG PRO 35 -7.370 -2.191 4.629 279 2HG PRO 35 1HG PRO 35 -9.048 -1.668 4.389 280 1HD PRO 35 2HD PRO 35 -6.550 -0.682 3.096 281 2HD PRO 35 1HD PRO 35 -8.185 -0.835 2.424 282 H GLU 36 H GLU 36 -8.806 2.085 7.291 283 HA GLU 36 HA GLU 36 -7.095 4.340 7.087 284 1HB GLU 36 2HB GLU 36 -9.158 4.373 8.411 285 2HB GLU 36 1HB GLU 36 -8.482 3.175 9.507 286 1HG GLU 36 2HG GLU 36 -6.580 4.992 9.745 287 2HG GLU 36 1HG GLU 36 -7.885 6.068 9.248 288 H LYS 37 H LYS 37 -6.844 1.236 8.758 289 HA LYS 37 HA LYS 37 -4.323 1.938 9.977 290 1HB LYS 37 2HB LYS 37 -5.977 -0.575 9.915 291 2HB LYS 37 1HB LYS 37 -4.369 -0.543 10.624 292 1HG LYS 37 2HG LYS 37 -6.532 1.351 11.481 293 2HG LYS 37 1HG LYS 37 -6.333 -0.249 12.198 294 1HD LYS 37 2HD LYS 37 -4.251 0.288 13.106 295 2HD LYS 37 1HD LYS 37 -4.030 1.663 12.025 296 1HE LYS 37 2HE LYS 37 -4.520 2.555 14.166 297 2HE LYS 37 1HE LYS 37 -5.976 2.752 13.191 298 1HZ LYS 37 1HZ LYS 37 -6.863 0.733 14.235 299 2HZ LYS 37 2HZ LYS 37 -6.547 1.948 15.370 300 3HZ LYS 37 3HZ LYS 37 -5.489 0.637 15.218 301 H ASP 38 H ASP 38 -5.332 0.638 6.982 302 HA ASP 38 HA ASP 38 -2.920 -0.851 6.471 303 1HB ASP 38 2HB ASP 38 -5.321 -0.092 4.827 304 2HB ASP 38 1HB ASP 38 -3.892 -0.776 4.059 305 H ALA 39 H ALA 39 -4.313 2.216 5.336 306 HA ALA 39 HA ALA 39 -2.184 2.974 3.678 307 1HB ALA 39 1HB ALA 39 -3.609 5.138 5.086 308 2HB ALA 39 2HB ALA 39 -4.618 4.005 4.186 309 3HB ALA 39 3HB ALA 39 -3.335 4.892 3.362 310 H TYR 40 H TYR 40 -2.585 3.095 7.134 311 HA TYR 40 HA TYR 40 -0.544 5.005 7.663 312 1HB TYR 40 2HB TYR 40 -2.288 4.511 9.306 313 2HB TYR 40 1HB TYR 40 -1.709 2.847 9.438 314 HD1 TYR 40 1HD TYR 40 0.307 2.328 10.666 315 HD2 TYR 40 2HD TYR 40 -1.034 6.347 10.299 316 HE1 TYR 40 1HE TYR 40 1.855 3.002 12.457 317 HE2 TYR 40 2HE TYR 40 0.507 7.034 12.088 318 HH TYR 40 HH TYR 40 2.662 6.189 13.086 319 H ARG 41 H ARG 41 -0.614 1.450 7.919 320 HA ARG 41 HA ARG 41 2.056 1.083 8.625 321 1HB ARG 41 2HB ARG 41 -0.149 -0.553 7.936 322 2HB ARG 41 1HB ARG 41 1.196 -1.065 6.926 323 1HG ARG 41 2HG ARG 41 2.316 -1.956 8.650 324 2HG ARG 41 1HG ARG 41 1.874 -0.649 9.749 325 1HD ARG 41 2HD ARG 41 -0.205 -1.629 10.246 326 2HD ARG 41 1HD ARG 41 -0.109 -2.726 8.869 327 HE ARG 41 HE ARG 41 1.983 -3.114 10.802 328 1HH1 ARG 41 1HH1 ARG 41 -1.296 -3.938 9.932 329 2HH1 ARG 41 2HH1 ARG 41 -1.290 -5.425 10.819 330 1HH2 ARG 41 1HH2 ARG 41 1.992 -5.071 11.967 331 2HH2 ARG 41 2HH2 ARG 41 0.576 -6.069 11.974 332 H LEU 42 H LEU 42 0.625 1.821 5.550 333 HA LEU 42 HA LEU 42 2.630 0.924 3.823 334 1HB LEU 42 2HB LEU 42 0.665 3.192 3.642 335 2HB LEU 42 1HB LEU 42 1.798 2.851 2.349 336 HG LEU 42 HG LEU 42 -0.356 1.006 3.377 337 1HD1 LEU 42 1HD1 LEU 42 -0.961 2.983 1.890 338 2HD1 LEU 42 2HD1 LEU 42 -1.472 1.384 1.351 339 3HD1 LEU 42 3HD1 LEU 42 -0.064 2.153 0.619 340 1HD2 LEU 42 1HD2 LEU 42 1.801 0.577 1.320 341 2HD2 LEU 42 2HD2 LEU 42 0.358 -0.429 1.448 342 3HD2 LEU 42 3HD2 LEU 42 1.504 -0.357 2.786 343 H GLU 43 H GLU 43 2.284 4.015 5.525 344 HA GLU 43 HA GLU 43 4.409 5.396 4.416 345 1HB GLU 43 2HB GLU 43 2.604 5.913 6.378 346 2HB GLU 43 1HB GLU 43 4.070 5.724 7.331 347 1HG GLU 43 2HG GLU 43 4.643 7.365 5.073 348 2HG GLU 43 1HG GLU 43 3.199 7.976 5.880 349 H ILE 44 H ILE 44 4.426 3.193 7.205 350 HA ILE 44 HA ILE 44 7.109 3.455 7.901 351 HB ILE 44 HB ILE 44 5.507 0.926 8.150 352 1HG1 ILE 44 2HG1 ILE 44 4.044 2.442 9.119 353 2HG1 ILE 44 1HG1 ILE 44 5.055 2.006 10.482 354 1HG2 ILE 44 1HG2 ILE 44 6.893 0.904 10.339 355 2HG2 ILE 44 2HG2 ILE 44 7.933 2.048 9.490 356 3HG2 ILE 44 3HG2 ILE 44 7.666 0.436 8.825 357 1HD1 ILE 44 1HD1 ILE 44 5.027 4.540 8.915 358 2HD1 ILE 44 2HD1 ILE 44 6.438 4.074 9.865 359 3HD1 ILE 44 3HD1 ILE 44 4.878 4.301 10.657 360 H VAL 45 H VAL 45 5.570 1.077 5.746 361 HA VAL 45 HA VAL 45 7.971 -0.278 5.105 362 HB VAL 45 HB VAL 45 6.637 -1.192 3.167 363 1HG1 VAL 45 1HG1 VAL 45 4.843 -2.108 5.011 364 2HG1 VAL 45 2HG1 VAL 45 6.157 -1.525 6.032 365 3HG1 VAL 45 3HG1 VAL 45 6.477 -2.732 4.787 366 1HG2 VAL 45 1HG2 VAL 45 4.247 -0.784 3.127 367 2HG2 VAL 45 2HG2 VAL 45 5.128 0.728 2.907 368 3HG2 VAL 45 3HG2 VAL 45 4.398 0.351 4.466 369 H THR 46 H THR 46 6.176 2.312 3.512 370 HA THR 46 HA THR 46 7.902 2.359 1.226 371 HB THR 46 HB THR 46 6.596 4.351 0.600 372 HG1 THR 46 1HG THR 46 5.176 3.947 3.008 373 1HG2 THR 46 1HG2 THR 46 4.477 3.338 0.283 374 2HG2 THR 46 2HG2 THR 46 4.747 2.222 1.622 375 3HG2 THR 46 3HG2 THR 46 5.699 2.073 0.145 376 H ALA 47 H ALA 47 8.841 3.026 4.148 377 HA ALA 47 HA ALA 47 10.405 4.364 5.110 378 1HB ALA 47 1HB ALA 47 11.382 3.770 2.703 379 2HB ALA 47 2HB ALA 47 12.220 4.835 3.830 380 3HB ALA 47 3HB ALA 47 11.258 5.520 2.521 381 H GLY 48 H GLY 48 7.697 5.433 4.494 382 1HA GLY 48 2HA GLY 48 6.622 7.411 4.979 383 2HA GLY 48 1HA GLY 48 8.192 8.129 5.304 384 H ALA 49 H ALA 49 7.060 6.629 2.304 385 HA ALA 49 HA ALA 49 7.848 9.004 0.836 386 1HB ALA 49 1HB ALA 49 7.804 7.708 -1.074 387 2HB ALA 49 2HB ALA 49 6.566 6.625 -0.437 388 3HB ALA 49 3HB ALA 49 8.222 6.521 0.162 389 H LEU 50 H LEU 50 4.890 7.148 1.452 390 HA LEU 50 HA LEU 50 3.297 9.184 0.095 391 1HB LEU 50 2HB LEU 50 2.313 6.663 1.420 392 2HB LEU 50 1HB LEU 50 1.461 7.661 0.257 393 HG LEU 50 HG LEU 50 4.016 6.271 -0.490 394 1HD1 LEU 50 1HD1 LEU 50 3.033 4.271 -0.819 395 2HD1 LEU 50 2HD1 LEU 50 1.471 4.984 -1.227 396 3HD1 LEU 50 3HD1 LEU 50 1.954 4.827 0.461 397 1HD2 LEU 50 1HD2 LEU 50 2.583 8.123 -1.807 398 2HD2 LEU 50 2HD2 LEU 50 1.775 6.659 -2.366 399 3HD2 LEU 50 3HD2 LEU 50 3.510 6.855 -2.611 400 H LYS 51 H LYS 51 2.339 10.782 1.157 401 HA LYS 51 HA LYS 51 2.481 10.903 4.031 402 1HB LYS 51 2HB LYS 51 1.570 13.151 3.783 403 2HB LYS 51 1HB LYS 51 2.900 12.898 2.660 404 1HG LYS 51 2HG LYS 51 0.985 12.256 1.001 405 2HG LYS 51 1HG LYS 51 -0.011 13.194 2.115 406 1HD LYS 51 2HD LYS 51 1.634 15.067 1.867 407 2HD LYS 51 1HD LYS 51 2.421 14.129 0.597 408 1HE LYS 51 2HE LYS 51 -0.057 14.028 -0.340 409 2HE LYS 51 1HE LYS 51 -0.207 15.515 0.595 410 1HZ LYS 51 1HZ LYS 51 2.021 16.065 -0.654 411 2HZ LYS 51 2HZ LYS 51 0.518 16.355 -1.372 412 3HZ LYS 51 3HZ LYS 51 1.400 14.973 -1.788 413 H TYR 52 H TYR 52 1.042 9.888 5.252 414 HA TYR 52 HA TYR 52 -1.459 8.951 4.379 415 1HB TYR 52 2HB TYR 52 -0.198 8.026 6.312 416 2HB TYR 52 1HB TYR 52 -0.572 9.486 7.222 417 HD1 TYR 52 1HD TYR 52 -3.138 10.048 7.423 418 HD2 TYR 52 2HD TYR 52 -1.586 6.191 6.519 419 HE1 TYR 52 1HE TYR 52 -5.232 9.030 8.201 420 HE2 TYR 52 2HE TYR 52 -3.681 5.161 7.293 421 HH TYR 52 HH TYR 52 -6.227 6.086 7.484 422 H GLN 53 H GLN 53 -3.222 10.080 3.919 423 HA GLN 53 HA GLN 53 -3.586 12.719 5.138 424 1HB GLN 53 2HB GLN 53 -4.907 11.433 2.743 425 2HB GLN 53 1HB GLN 53 -5.309 13.031 3.358 426 1HG GLN 53 2HG GLN 53 -2.559 13.102 3.040 427 2HG GLN 53 1HG GLN 53 -3.137 12.195 1.643 428 1HE2 GLN 53 1HE2 GLN 53 -3.108 15.249 3.271 429 2HE2 GLN 53 2HE2 GLN 53 -3.815 16.173 1.994 430 H GLU 54 H GLU 54 -4.843 12.837 6.867 431 HA GLU 54 HA GLU 54 -6.806 10.756 7.392 432 1HB GLU 54 2HB GLU 54 -6.986 11.736 9.608 433 2HB GLU 54 1HB GLU 54 -5.296 11.477 9.195 434 1HG GLU 54 2HG GLU 54 -5.181 13.889 8.537 435 2HG GLU 54 1HG GLU 54 -6.800 14.078 9.207 436 H ASN 55 H ASN 55 -7.361 12.563 5.214 437 HA ASN 55 HA ASN 55 -9.425 14.351 6.201 438 1HB ASN 55 2HB ASN 55 -7.759 14.726 4.190 439 2HB ASN 55 1HB ASN 55 -8.978 13.832 3.288 440 1HD2 ASN 55 1HD2 ASN 55 -8.249 16.751 5.011 441 2HD2 ASN 55 2HD2 ASN 55 -9.628 17.649 4.485 442 H ALA 56 H ALA 56 -9.155 11.473 4.148 443 HA ALA 56 HA ALA 56 -12.050 11.206 4.036 444 1HB ALA 56 1HB ALA 56 -11.750 9.842 2.251 445 2HB ALA 56 2HB ALA 56 -10.300 9.089 2.928 446 3HB ALA 56 3HB ALA 56 -10.200 10.683 2.182 447 H TYR 57 H TYR 57 -9.567 10.248 6.092 448 HA TYR 57 HA TYR 57 -10.800 7.732 6.870 449 1HB TYR 57 2HB TYR 57 -8.349 9.168 7.903 450 2HB TYR 57 1HB TYR 57 -8.903 7.599 8.478 451 HD1 TYR 57 1HD TYR 57 -6.459 8.966 6.607 452 HD2 TYR 57 2HD TYR 57 -9.538 6.057 6.201 453 HE1 TYR 57 1HE TYR 57 -5.175 7.864 4.821 454 HE2 TYR 57 2HE TYR 57 -8.264 4.948 4.416 455 HH TYR 57 HH TYR 57 -5.434 6.374 3.015 456 H ARG 58 H ARG 58 -11.800 10.682 7.370 457 HA ARG 58 HA ARG 58 -12.090 10.562 10.271 458 1HB ARG 58 2HB ARG 58 -11.650 12.674 8.629 459 2HB ARG 58 1HB ARG 58 -13.410 12.737 8.760 460 1HG ARG 58 2HG ARG 58 -11.860 12.434 11.268 461 2HG ARG 58 1HG ARG 58 -11.810 13.999 10.453 462 1HD ARG 58 2HD ARG 58 -13.730 14.465 11.474 463 2HD ARG 58 1HD ARG 58 -14.490 13.288 10.401 464 HE ARG 58 HE ARG 58 -13.340 12.077 12.723 465 1HH1 ARG 58 1HH1 ARG 58 -16.140 13.770 11.517 466 2HH1 ARG 58 2HH1 ARG 58 -17.210 13.098 12.701 467 1HH2 ARG 58 1HH2 ARG 58 -14.750 11.193 14.281 468 2HH2 ARG 58 2HH2 ARG 58 -16.420 11.636 14.272 469 H GLN 59 H GLN 59 -13.930 10.174 7.330 470 HA GLN 59 HA GLN 59 -16.190 9.223 8.923 471 1HB GLN 59 2HB GLN 59 -16.250 11.697 7.714 472 2HB GLN 59 1HB GLN 59 -17.020 10.670 6.512 473 1HG GLN 59 2HG GLN 59 -18.840 10.281 7.798 474 2HG GLN 59 1HG GLN 59 -17.930 10.349 9.305 475 1HE2 GLN 59 1HE2 GLN 59 -17.960 12.169 10.465 476 2HE2 GLN 59 2HE2 GLN 59 -18.690 13.653 9.967 477 H ALA 60 H ALA 60 -15.940 7.112 8.380 478 HA ALA 60 HA ALA 60 -16.040 5.207 7.140 479 1HB ALA 60 1HB ALA 60 -17.230 5.548 4.829 480 2HB ALA 60 2HB ALA 60 -17.600 7.137 5.494 481 3HB ALA 60 3HB ALA 60 -18.140 5.682 6.334 482 H ALA 61 H ALA 61 -15.580 4.416 4.689 483 HA ALA 61 HA ALA 61 -13.430 5.888 3.436 484 1HB ALA 61 1HB ALA 61 -12.070 3.589 3.636 485 2HB ALA 61 2HB ALA 61 -12.940 3.548 5.172 486 3HB ALA 61 3HB ALA 61 -11.890 4.916 4.784
Contact the webmaster for help, if required. Monday, May 6, 2024 1:16:59 AM GMT (wattos1)