NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
564925 | 2lxj | 18679 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 0.856 -0.282 0.508 2 H2 MET 1 HT2 MET 1 1.969 0.862 1.085 3 H3 MET 1 HT3 MET 1 2.516 -0.572 0.359 4 HA MET 1 HA MET 1 0.909 1.469 -1.050 5 HB2 MET 1 HB2 MET 1 3.188 2.268 -0.281 6 HB3 MET 1 HB1 MET 1 3.887 1.009 -1.289 7 HG2 MET 1 HG2 MET 1 2.901 2.015 -3.264 8 HG3 MET 1 HG1 MET 1 2.135 3.252 -2.269 9 HE1 MET 1 HE1 MET 1 3.119 5.327 -3.472 10 HE2 MET 1 HE2 MET 1 3.757 4.225 -4.690 11 HE3 MET 1 HE3 MET 1 4.801 5.460 -3.985 12 H GLU 2 HN GLU 2 -0.312 -0.081 -2.074 13 HA GLU 2 HA GLU 2 1.017 -2.382 -3.257 14 HB2 GLU 2 HB2 GLU 2 -1.820 -1.635 -2.670 15 HB3 GLU 2 HB1 GLU 2 -1.492 -2.883 -3.862 16 HG2 GLU 2 HG2 GLU 2 -1.942 -3.547 -1.408 17 HG3 GLU 2 HG1 GLU 2 -0.648 -4.345 -2.297 18 H GLN 3 HN GLN 3 2.158 -1.268 -4.884 19 HA GLN 3 HA GLN 3 0.572 -0.099 -7.048 20 HB2 GLN 3 HB2 GLN 3 3.577 -0.337 -6.847 21 HB3 GLN 3 HB1 GLN 3 2.669 0.651 -7.978 22 HG2 GLN 3 HG2 GLN 3 1.874 2.034 -6.126 23 HG3 GLN 3 HG1 GLN 3 2.814 1.048 -5.002 24 HE21 GLN 3 HE21 GLN 3 2.906 3.490 -7.452 25 HE22 GLN 3 HE22 GLN 3 4.580 3.902 -7.271 26 H GLY 4 HN GLY 4 0.619 -0.911 -9.145 27 HA2 GLY 4 HA2 GLY 4 2.186 -3.283 -9.732 28 HA3 GLY 4 HA1 GLY 4 0.445 -3.528 -9.702 29 H THR 5 HN THR 5 2.240 -3.806 -11.953 30 HA THR 5 HA THR 5 1.319 -1.612 -13.680 31 HB THR 5 HB THR 5 3.301 -3.748 -14.461 32 HG1 THR 5 HG1 THR 5 4.783 -2.793 -13.312 33 HG21 THR 5 HG21 THR 5 2.364 -2.404 -16.271 34 HG22 THR 5 HG22 THR 5 4.073 -2.033 -16.036 35 HG23 THR 5 HG23 THR 5 2.837 -0.927 -15.433 36 H VAL 6 HN VAL 6 -0.142 -2.001 -15.274 37 HA VAL 6 HA VAL 6 -1.574 -4.455 -15.302 38 HB VAL 6 HB VAL 6 -1.607 -2.248 -17.368 39 HG11 VAL 6 HG11 VAL 6 -2.556 -4.322 -18.208 40 HG12 VAL 6 HG12 VAL 6 -3.821 -3.123 -17.947 41 HG13 VAL 6 HG13 VAL 6 -3.601 -4.436 -16.791 42 HG21 VAL 6 HG21 VAL 6 -2.157 -1.359 -15.191 43 HG22 VAL 6 HG22 VAL 6 -3.312 -2.662 -14.916 44 HG23 VAL 6 HG23 VAL 6 -3.618 -1.462 -16.171 45 H LYS 7 HN LYS 7 -0.785 -6.275 -16.064 46 HA LYS 7 HA LYS 7 1.341 -6.438 -17.961 47 HB2 LYS 7 HB2 LYS 7 -0.555 -8.557 -16.917 48 HB3 LYS 7 HB1 LYS 7 0.883 -8.882 -17.873 49 HG2 LYS 7 HG2 LYS 7 1.006 -7.439 -15.245 50 HG3 LYS 7 HG1 LYS 7 1.059 -9.199 -15.364 51 HD2 LYS 7 HD2 LYS 7 2.957 -7.328 -16.776 52 HD3 LYS 7 HD1 LYS 7 3.304 -8.146 -15.250 53 HE2 LYS 7 HE2 LYS 7 2.592 -9.562 -17.816 54 HE3 LYS 7 HE1 LYS 7 4.243 -9.285 -17.262 55 HZ1 LYS 7 HZ1 LYS 7 3.918 -10.679 -15.415 56 HZ2 LYS 7 HZ2 LYS 7 3.249 -11.519 -16.722 57 HZ3 LYS 7 HZ3 LYS 7 2.233 -10.722 -15.616 58 H TRP 8 HN TRP 8 -1.911 -7.828 -18.145 59 HA TRP 8 HA TRP 8 -2.380 -6.643 -20.720 60 HB2 TRP 8 HB2 TRP 8 -2.847 -8.818 -21.843 61 HB3 TRP 8 HB1 TRP 8 -1.151 -8.590 -21.451 62 HD1 TRP 8 HD1 TRP 8 -0.591 -9.824 -18.827 63 HE1 TRP 8 HE1 TRP 8 -1.151 -12.263 -18.222 64 HE3 TRP 8 HE3 TRP 8 -4.221 -10.704 -22.314 65 HZ2 TRP 8 HZ2 TRP 8 -2.898 -14.291 -19.114 66 HZ3 TRP 8 HZ3 TRP 8 -5.281 -12.922 -22.381 67 HH2 TRP 8 HH2 TRP 8 -4.630 -14.678 -20.813 68 H PHE 9 HN PHE 9 -4.586 -6.784 -21.360 69 HA PHE 9 HA PHE 9 -6.302 -7.312 -19.017 70 HB2 PHE 9 HB2 PHE 9 -6.008 -4.907 -19.556 71 HB3 PHE 9 HB1 PHE 9 -6.695 -5.204 -21.149 72 HD1 PHE 9 HD2 PHE 9 -7.483 -5.599 -17.537 73 HD2 PHE 9 HD1 PHE 9 -8.967 -4.936 -21.468 74 HE1 PHE 9 HE2 PHE 9 -9.735 -5.234 -16.619 75 HE2 PHE 9 HE1 PHE 9 -11.224 -4.570 -20.560 76 HZ PHE 9 HZ PHE 9 -11.611 -4.719 -18.131 77 H ASN 10 HN ASN 10 -7.694 -8.884 -19.263 78 HA ASN 10 HA ASN 10 -8.443 -9.882 -21.870 79 HB2 ASN 10 HB2 ASN 10 -9.403 -10.686 -19.108 80 HB3 ASN 10 HB1 ASN 10 -9.762 -11.544 -20.603 81 HD21 ASN 10 HD21 ASN 10 -8.198 -12.799 -21.557 82 HD22 ASN 10 HD22 ASN 10 -6.721 -13.214 -20.752 83 H ALA 11 HN ALA 11 -9.432 -7.912 -22.604 84 HA ALA 11 HA ALA 11 -11.564 -6.625 -21.306 85 HB1 ALA 11 HB1 ALA 11 -11.998 -5.540 -23.444 86 HB2 ALA 11 HB2 ALA 11 -10.965 -6.716 -24.259 87 HB3 ALA 11 HB3 ALA 11 -10.270 -5.588 -23.097 88 H GLU 12 HN GLU 12 -11.495 -9.299 -23.603 89 HA GLU 12 HA GLU 12 -14.346 -9.359 -23.930 90 HB2 GLU 12 HB2 GLU 12 -12.188 -11.331 -24.672 91 HB3 GLU 12 HB1 GLU 12 -13.889 -11.544 -25.076 92 HG2 GLU 12 HG2 GLU 12 -12.105 -9.291 -25.972 93 HG3 GLU 12 HG1 GLU 12 -12.681 -10.636 -26.959 94 H LYS 13 HN LYS 13 -12.288 -10.413 -21.485 95 HA LYS 13 HA LYS 13 -14.185 -12.446 -20.561 96 HB2 LYS 13 HB2 LYS 13 -11.395 -11.714 -19.674 97 HB3 LYS 13 HB1 LYS 13 -12.428 -12.795 -18.750 98 HG2 LYS 13 HG2 LYS 13 -11.563 -13.252 -21.599 99 HG3 LYS 13 HG1 LYS 13 -10.822 -13.988 -20.175 100 HD2 LYS 13 HD2 LYS 13 -13.131 -14.881 -19.620 101 HD3 LYS 13 HD1 LYS 13 -13.603 -14.392 -21.248 102 HE2 LYS 13 HE2 LYS 13 -11.854 -15.815 -22.184 103 HE3 LYS 13 HE1 LYS 13 -11.368 -16.297 -20.558 104 HZ1 LYS 13 HZ1 LYS 13 -12.746 -17.998 -21.396 105 HZ2 LYS 13 HZ2 LYS 13 -13.921 -16.905 -21.943 106 HZ3 LYS 13 HZ3 LYS 13 -13.694 -17.147 -20.279 107 H GLY 14 HN GLY 14 -12.916 -9.282 -19.837 108 HA2 GLY 14 HA2 GLY 14 -13.893 -7.660 -18.452 109 HA3 GLY 14 HA1 GLY 14 -14.925 -8.906 -17.758 110 H PHE 15 HN PHE 15 -11.538 -9.454 -18.108 111 HA PHE 15 HA PHE 15 -11.063 -8.903 -15.269 112 HB2 PHE 15 HB2 PHE 15 -10.321 -11.500 -16.644 113 HB3 PHE 15 HB1 PHE 15 -9.961 -11.072 -14.976 114 HD1 PHE 15 HD1 PHE 15 -12.063 -10.477 -13.514 115 HD2 PHE 15 HD2 PHE 15 -12.168 -12.791 -17.082 116 HE1 PHE 15 HE1 PHE 15 -14.188 -11.483 -12.795 117 HE2 PHE 15 HE2 PHE 15 -14.297 -13.799 -16.370 118 HZ PHE 15 HZ PHE 15 -15.309 -13.145 -14.223 119 H GLY 16 HN GLY 16 -8.599 -9.251 -14.835 120 HA2 GLY 16 HA2 GLY 16 -6.899 -8.901 -17.145 121 HA3 GLY 16 HA1 GLY 16 -7.091 -7.444 -16.179 122 H PHE 17 HN PHE 17 -4.616 -8.494 -16.510 123 HA PHE 17 HA PHE 17 -4.061 -9.666 -13.865 124 HB2 PHE 17 HB2 PHE 17 -2.606 -10.086 -16.481 125 HB3 PHE 17 HB1 PHE 17 -1.969 -10.594 -14.920 126 HD1 PHE 17 HD1 PHE 17 -2.978 -12.427 -13.700 127 HD2 PHE 17 HD2 PHE 17 -4.446 -11.245 -17.514 128 HE1 PHE 17 HE1 PHE 17 -4.219 -14.543 -13.874 129 HE2 PHE 17 HE2 PHE 17 -5.689 -13.359 -17.695 130 HZ PHE 17 HZ PHE 17 -5.578 -15.011 -15.874 131 H ILE 18 HN ILE 18 -3.097 -8.326 -12.546 132 HA ILE 18 HA ILE 18 -1.366 -6.209 -13.658 133 HB ILE 18 HB ILE 18 -2.783 -6.237 -10.982 134 HG12 ILE 18 HG12 ILE 18 -3.446 -4.680 -13.494 135 HG13 ILE 18 HG11 ILE 18 -4.369 -6.041 -12.865 136 HG21 ILE 18 HG21 ILE 18 -1.219 -4.076 -12.381 137 HG22 ILE 18 HG22 ILE 18 -0.736 -4.951 -10.929 138 HG23 ILE 18 HG23 ILE 18 -2.127 -3.868 -10.883 139 HD11 ILE 18 HD11 ILE 18 -5.434 -3.934 -12.320 140 HD12 ILE 18 HD12 ILE 18 -3.973 -3.389 -11.496 141 HD13 ILE 18 HD13 ILE 18 -4.890 -4.753 -10.855 142 H GLU 19 HN GLU 19 0.776 -6.339 -13.146 143 HA GLU 19 HA GLU 19 1.649 -8.702 -11.800 144 HB2 GLU 19 HB2 GLU 19 3.879 -8.038 -12.346 145 HB3 GLU 19 HB1 GLU 19 2.860 -7.654 -13.727 146 HG2 GLU 19 HG2 GLU 19 2.901 -5.347 -13.240 147 HG3 GLU 19 HG1 GLU 19 3.587 -5.623 -11.641 148 H ARG 20 HN ARG 20 2.398 -8.991 -9.790 149 HA ARG 20 HA ARG 20 2.613 -6.711 -7.994 150 HB2 ARG 20 HB2 ARG 20 1.570 -8.920 -7.316 151 HB3 ARG 20 HB1 ARG 20 3.172 -9.633 -7.422 152 HG2 ARG 20 HG2 ARG 20 2.541 -9.082 -5.126 153 HG3 ARG 20 HG1 ARG 20 3.969 -8.197 -5.655 154 HD2 ARG 20 HD2 ARG 20 2.382 -6.288 -6.221 155 HD3 ARG 20 HD1 ARG 20 1.162 -7.180 -5.311 156 HE ARG 20 HE ARG 20 3.700 -6.635 -3.965 157 HH11 ARG 20 HH11 ARG 20 0.314 -5.830 -4.386 158 HH12 ARG 20 HH12 ARG 20 0.225 -4.900 -2.927 159 HH21 ARG 20 HH21 ARG 20 3.581 -5.400 -2.053 160 HH22 ARG 20 HH22 ARG 20 2.082 -4.636 -1.597 161 H GLU 21 HN GLU 21 4.803 -6.914 -6.540 162 HA GLU 21 HA GLU 21 6.787 -6.049 -8.310 163 HB2 GLU 21 HB2 GLU 21 8.210 -5.735 -6.428 164 HB3 GLU 21 HB1 GLU 21 6.576 -5.350 -5.919 165 HG2 GLU 21 HG2 GLU 21 7.977 -7.957 -5.355 166 HG3 GLU 21 HG1 GLU 21 7.884 -6.600 -4.237 167 H ASN 22 HN ASN 22 6.109 -9.238 -7.154 168 HA ASN 22 HA ASN 22 8.696 -10.194 -8.157 169 HB2 ASN 22 HB2 ASN 22 6.582 -11.499 -6.450 170 HB3 ASN 22 HB1 ASN 22 7.920 -12.402 -7.153 171 HD21 ASN 22 HD21 ASN 22 7.228 -11.869 -4.359 172 HD22 ASN 22 HD22 ASN 22 8.631 -11.135 -3.665 173 H GLY 23 HN GLY 23 6.170 -9.356 -9.710 174 HA2 GLY 23 HA2 GLY 23 5.560 -9.915 -11.873 175 HA3 GLY 23 HA1 GLY 23 6.535 -11.370 -11.748 176 H ASP 24 HN ASP 24 4.583 -11.294 -9.088 177 HA ASP 24 HA ASP 24 2.977 -13.436 -10.030 178 HB2 ASP 24 HB2 ASP 24 3.642 -13.235 -7.662 179 HB3 ASP 24 HB1 ASP 24 2.656 -11.782 -7.516 180 H ASP 25 HN ASP 25 1.757 -12.850 -11.720 181 HA ASP 25 HA ASP 25 0.203 -10.600 -12.086 182 HB2 ASP 25 HB2 ASP 25 -0.471 -13.433 -12.909 183 HB3 ASP 25 HB1 ASP 25 -1.246 -11.986 -13.541 184 H VAL 26 HN VAL 26 -1.200 -9.742 -10.749 185 HA VAL 26 HA VAL 26 -2.880 -11.378 -9.031 186 HB VAL 26 HB VAL 26 -2.841 -8.362 -9.311 187 HG11 VAL 26 HG11 VAL 26 -3.871 -10.160 -7.122 188 HG12 VAL 26 HG12 VAL 26 -4.841 -9.201 -8.241 189 HG13 VAL 26 HG13 VAL 26 -3.811 -8.399 -7.055 190 HG21 VAL 26 HG21 VAL 26 -0.617 -9.169 -8.694 191 HG22 VAL 26 HG22 VAL 26 -1.315 -10.087 -7.357 192 HG23 VAL 26 HG23 VAL 26 -1.383 -8.323 -7.348 193 H PHE 27 HN PHE 27 -5.068 -11.640 -9.298 194 HA PHE 27 HA PHE 27 -6.002 -11.140 -12.011 195 HB2 PHE 27 HB2 PHE 27 -6.074 -13.412 -10.899 196 HB3 PHE 27 HB1 PHE 27 -7.332 -12.777 -9.848 197 HD1 PHE 27 HD2 PHE 27 -6.503 -13.202 -13.447 198 HD2 PHE 27 HD1 PHE 27 -9.540 -12.992 -10.476 199 HE1 PHE 27 HE2 PHE 27 -8.186 -13.814 -15.130 200 HE2 PHE 27 HE1 PHE 27 -11.226 -13.608 -12.155 201 HZ PHE 27 HZ PHE 27 -10.550 -14.018 -14.484 202 H VAL 28 HN VAL 28 -7.026 -9.274 -12.336 203 HA VAL 28 HA VAL 28 -8.655 -8.140 -10.177 204 HB VAL 28 HB VAL 28 -6.938 -6.712 -11.322 205 HG11 VAL 28 HG11 VAL 28 -7.196 -7.490 -13.594 206 HG12 VAL 28 HG12 VAL 28 -7.491 -5.753 -13.506 207 HG13 VAL 28 HG13 VAL 28 -8.847 -6.875 -13.643 208 HG21 VAL 28 HG21 VAL 28 -8.732 -5.710 -10.066 209 HG22 VAL 28 HG22 VAL 28 -9.802 -5.800 -11.466 210 HG23 VAL 28 HG23 VAL 28 -8.390 -4.742 -11.501 211 H HIS 29 HN HIS 29 -10.797 -7.376 -10.594 212 HA HIS 29 HA HIS 29 -12.157 -8.964 -12.673 213 HB2 HIS 29 HB2 HIS 29 -13.254 -8.120 -9.981 214 HB3 HIS 29 HB1 HIS 29 -14.079 -9.114 -11.173 215 HD1 HIS 29 HD1 HIS 29 -12.349 -9.449 -8.118 216 HD2 HIS 29 HD2 HIS 29 -12.378 -11.604 -11.672 217 HE1 HIS 29 HE1 HIS 29 -11.457 -11.727 -7.535 218 HE2 HIS 29 HE2 HIS 29 -11.666 -13.059 -9.660 219 H PHE 30 HN PHE 30 -14.143 -8.070 -13.522 220 HA PHE 30 HA PHE 30 -13.929 -5.404 -14.340 221 HB2 PHE 30 HB2 PHE 30 -16.281 -5.734 -15.195 222 HB3 PHE 30 HB1 PHE 30 -15.118 -6.943 -15.725 223 HD1 PHE 30 HD1 PHE 30 -15.240 -9.226 -14.913 224 HD2 PHE 30 HD2 PHE 30 -18.076 -6.302 -13.690 225 HE1 PHE 30 HE1 PHE 30 -16.707 -11.010 -14.068 226 HE2 PHE 30 HE2 PHE 30 -19.548 -8.078 -12.843 227 HZ PHE 30 HZ PHE 30 -18.864 -10.436 -13.030 228 H SER 31 HN SER 31 -15.615 -6.820 -11.621 229 HA SER 31 HA SER 31 -16.937 -4.289 -11.023 230 HB2 SER 31 HB2 SER 31 -18.096 -6.560 -10.854 231 HB3 SER 31 HB1 SER 31 -17.100 -6.855 -9.433 232 HG SER 31 HG SER 31 -18.076 -4.554 -8.925 233 H ALA 32 HN ALA 32 -13.961 -5.173 -10.748 234 HA ALA 32 HA ALA 32 -13.588 -4.214 -7.987 235 HB1 ALA 32 HB1 ALA 32 -12.622 -6.371 -8.212 236 HB2 ALA 32 HB2 ALA 32 -11.291 -5.215 -8.245 237 HB3 ALA 32 HB3 ALA 32 -11.861 -5.941 -9.742 238 H ILE 33 HN ILE 33 -12.835 -3.770 -11.344 239 HA ILE 33 HA ILE 33 -10.943 -1.636 -10.933 240 HB ILE 33 HB ILE 33 -12.440 -2.377 -13.455 241 HG12 ILE 33 HG12 ILE 33 -9.680 -3.265 -12.600 242 HG13 ILE 33 HG11 ILE 33 -11.122 -4.265 -12.471 243 HG21 ILE 33 HG21 ILE 33 -11.446 -0.157 -13.520 244 HG22 ILE 33 HG22 ILE 33 -10.601 -1.255 -14.610 245 HG23 ILE 33 HG23 ILE 33 -9.885 -0.830 -13.056 246 HD11 ILE 33 HD11 ILE 33 -9.822 -4.835 -14.431 247 HD12 ILE 33 HD12 ILE 33 -9.954 -3.176 -15.018 248 HD13 ILE 33 HD13 ILE 33 -11.396 -4.184 -14.888 249 H GLN 34 HN GLN 34 -11.383 0.553 -10.911 250 HA GLN 34 HA GLN 34 -14.119 1.389 -10.790 251 HB2 GLN 34 HB2 GLN 34 -13.190 3.691 -10.602 252 HB3 GLN 34 HB1 GLN 34 -12.557 2.577 -9.404 253 HG2 GLN 34 HG2 GLN 34 -10.484 2.379 -10.620 254 HG3 GLN 34 HG1 GLN 34 -11.115 3.382 -11.924 255 HE21 GLN 34 HE21 GLN 34 -9.888 3.315 -8.690 256 HE22 GLN 34 HE22 GLN 34 -9.676 5.024 -8.511 257 H GLY 35 HN GLY 35 -15.042 0.854 -12.717 258 HA2 GLY 35 HA2 GLY 35 -13.916 1.572 -15.247 259 HA3 GLY 35 HA1 GLY 35 -15.536 0.951 -14.962 260 H ASP 36 HN ASP 36 -13.681 3.878 -14.211 261 HA ASP 36 HA ASP 36 -16.065 5.491 -14.688 262 HB2 ASP 36 HB2 ASP 36 -14.553 5.871 -12.693 263 HB3 ASP 36 HB1 ASP 36 -13.327 6.440 -13.822 264 H GLY 37 HN GLY 37 -16.450 6.031 -16.723 265 HA2 GLY 37 HA2 GLY 37 -15.980 7.217 -18.708 266 HA3 GLY 37 HA1 GLY 37 -14.263 7.057 -18.368 267 H PHE 38 HN PHE 38 -13.688 4.545 -18.177 268 HA PHE 38 HA PHE 38 -15.043 2.997 -20.232 269 HB2 PHE 38 HB2 PHE 38 -12.953 2.493 -21.432 270 HB3 PHE 38 HB1 PHE 38 -13.332 4.208 -21.496 271 HD1 PHE 38 HD1 PHE 38 -12.092 5.767 -19.912 272 HD2 PHE 38 HD2 PHE 38 -10.903 1.744 -20.625 273 HE1 PHE 38 HE1 PHE 38 -9.840 6.286 -19.070 274 HE2 PHE 38 HE2 PHE 38 -8.653 2.252 -19.774 275 HZ PHE 38 HZ PHE 38 -8.120 4.526 -18.995 276 H LYS 39 HN LYS 39 -14.648 0.757 -20.100 277 HA LYS 39 HA LYS 39 -13.543 -0.046 -17.499 278 HB2 LYS 39 HB2 LYS 39 -15.538 -1.397 -19.318 279 HB3 LYS 39 HB1 LYS 39 -14.783 -2.223 -17.964 280 HG2 LYS 39 HG2 LYS 39 -16.881 -1.496 -17.192 281 HG3 LYS 39 HG1 LYS 39 -15.702 -0.389 -16.490 282 HD2 LYS 39 HD2 LYS 39 -16.200 1.213 -18.320 283 HD3 LYS 39 HD1 LYS 39 -17.466 0.121 -18.883 284 HE2 LYS 39 HE2 LYS 39 -17.334 1.426 -16.168 285 HE3 LYS 39 HE1 LYS 39 -18.371 1.928 -17.501 286 HZ1 LYS 39 HZ1 LYS 39 -19.455 -0.248 -17.401 287 HZ2 LYS 39 HZ2 LYS 39 -19.599 0.599 -15.938 288 HZ3 LYS 39 HZ3 LYS 39 -18.492 -0.674 -16.072 289 H SER 40 HN SER 40 -11.408 0.200 -18.439 290 HA SER 40 HA SER 40 -10.434 -2.341 -19.382 291 HB2 SER 40 HB2 SER 40 -10.054 0.147 -21.069 292 HB3 SER 40 HB1 SER 40 -9.218 -1.384 -21.324 293 HG SER 40 HG SER 40 -11.904 -1.732 -21.156 294 H LEU 41 HN LEU 41 -8.155 -2.535 -19.121 295 HA LEU 41 HA LEU 41 -6.936 -0.363 -17.559 296 HB2 LEU 41 HB2 LEU 41 -6.322 -3.320 -17.604 297 HB3 LEU 41 HB1 LEU 41 -5.346 -2.131 -16.765 298 HG LEU 41 HG LEU 41 -8.227 -2.789 -16.143 299 HD11 LEU 41 HD11 LEU 41 -6.690 -4.572 -15.513 300 HD12 LEU 41 HD12 LEU 41 -7.313 -3.747 -14.087 301 HD13 LEU 41 HD13 LEU 41 -5.678 -3.411 -14.653 302 HD21 LEU 41 HD21 LEU 41 -6.290 -0.936 -14.750 303 HD22 LEU 41 HD22 LEU 41 -7.913 -1.348 -14.190 304 HD23 LEU 41 HD23 LEU 41 -7.698 -0.444 -15.691 305 H ASP 42 HN ASP 42 -5.299 0.698 -18.473 306 HA ASP 42 HA ASP 42 -4.479 0.085 -21.123 307 HB2 ASP 42 HB2 ASP 42 -4.562 2.396 -20.277 308 HB3 ASP 42 HB1 ASP 42 -3.277 2.025 -19.131 309 H GLU 43 HN GLU 43 -3.163 -1.501 -21.636 310 HA GLU 43 HA GLU 43 -1.622 -2.919 -19.742 311 HB2 GLU 43 HB2 GLU 43 -1.410 -2.988 -22.760 312 HB3 GLU 43 HB1 GLU 43 -0.842 -4.223 -21.641 313 HG2 GLU 43 HG2 GLU 43 -3.110 -4.695 -20.952 314 HG3 GLU 43 HG1 GLU 43 -3.717 -3.396 -21.976 315 H GLY 44 HN GLY 44 0.302 -2.473 -18.935 316 HA2 GLY 44 HA2 GLY 44 2.600 -1.816 -19.165 317 HA3 GLY 44 HA1 GLY 44 2.123 -0.739 -20.471 318 H GLN 45 HN GLN 45 -0.270 -0.139 -18.530 319 HA GLN 45 HA GLN 45 0.965 2.213 -17.386 320 HB2 GLN 45 HB2 GLN 45 -1.259 2.281 -18.494 321 HB3 GLN 45 HB1 GLN 45 -1.898 1.251 -17.223 322 HG2 GLN 45 HG2 GLN 45 -2.525 3.514 -16.785 323 HG3 GLN 45 HG1 GLN 45 -1.346 3.009 -15.576 324 HE21 GLN 45 HE21 GLN 45 -1.922 5.010 -18.356 325 HE22 GLN 45 HE22 GLN 45 -0.520 6.005 -18.180 326 H ALA 46 HN ALA 46 1.103 2.699 -15.204 327 HA ALA 46 HA ALA 46 0.982 0.380 -13.416 328 HB1 ALA 46 HB1 ALA 46 2.462 1.616 -11.951 329 HB2 ALA 46 HB2 ALA 46 2.335 3.040 -12.984 330 HB3 ALA 46 HB3 ALA 46 3.130 1.583 -13.584 331 H VAL 47 HN VAL 47 -0.349 0.307 -11.704 332 HA VAL 47 HA VAL 47 -1.781 2.715 -10.872 333 HB VAL 47 HB VAL 47 -3.924 1.381 -10.738 334 HG11 VAL 47 HG11 VAL 47 -3.645 3.096 -12.411 335 HG12 VAL 47 HG12 VAL 47 -4.520 1.729 -13.096 336 HG13 VAL 47 HG13 VAL 47 -2.815 1.963 -13.477 337 HG21 VAL 47 HG21 VAL 47 -2.984 -0.848 -10.972 338 HG22 VAL 47 HG22 VAL 47 -2.440 -0.467 -12.604 339 HG23 VAL 47 HG23 VAL 47 -4.164 -0.539 -12.245 340 H THR 48 HN THR 48 -3.390 1.849 -8.996 341 HA THR 48 HA THR 48 -1.816 0.080 -7.242 342 HB THR 48 HB THR 48 -2.773 1.457 -5.325 343 HG1 THR 48 HG1 THR 48 -3.868 2.770 -7.446 344 HG21 THR 48 HG21 THR 48 -0.850 2.820 -7.214 345 HG22 THR 48 HG22 THR 48 -0.429 1.632 -5.978 346 HG23 THR 48 HG23 THR 48 -1.062 3.211 -5.506 347 H PHE 49 HN PHE 49 -3.154 -1.047 -5.599 348 HA PHE 49 HA PHE 49 -5.994 -1.151 -6.106 349 HB2 PHE 49 HB2 PHE 49 -5.962 -3.597 -6.693 350 HB3 PHE 49 HB1 PHE 49 -5.320 -2.536 -7.941 351 HD1 PHE 49 HD1 PHE 49 -4.472 -5.025 -5.387 352 HD2 PHE 49 HD2 PHE 49 -3.017 -2.637 -8.587 353 HE1 PHE 49 HE1 PHE 49 -2.404 -6.361 -5.431 354 HE2 PHE 49 HE2 PHE 49 -0.943 -3.961 -8.641 355 HZ PHE 49 HZ PHE 49 -0.635 -5.828 -7.060 356 H ASP 50 HN ASP 50 -7.162 -2.288 -4.559 357 HA ASP 50 HA ASP 50 -5.681 -2.928 -2.126 358 HB2 ASP 50 HB2 ASP 50 -7.708 -1.534 -1.939 359 HB3 ASP 50 HB1 ASP 50 -8.668 -2.839 -2.628 360 H VAL 51 HN VAL 51 -4.710 -4.857 -2.471 361 HA VAL 51 HA VAL 51 -5.994 -7.008 -3.848 362 HB VAL 51 HB VAL 51 -3.578 -6.752 -3.973 363 HG11 VAL 51 HG11 VAL 51 -3.554 -7.394 -1.031 364 HG12 VAL 51 HG12 VAL 51 -3.140 -5.847 -1.772 365 HG13 VAL 51 HG13 VAL 51 -2.132 -7.264 -2.068 366 HG21 VAL 51 HG21 VAL 51 -4.508 -8.967 -4.315 367 HG22 VAL 51 HG22 VAL 51 -4.392 -9.305 -2.588 368 HG23 VAL 51 HG23 VAL 51 -2.926 -9.076 -3.542 369 H GLU 52 HN GLU 52 -7.098 -8.687 -3.078 370 HA GLU 52 HA GLU 52 -7.337 -8.964 -0.157 371 HB2 GLU 52 HB2 GLU 52 -9.457 -9.652 -2.196 372 HB3 GLU 52 HB1 GLU 52 -9.632 -9.649 -0.446 373 HG2 GLU 52 HG2 GLU 52 -9.151 -7.166 -0.543 374 HG3 GLU 52 HG1 GLU 52 -9.344 -7.301 -2.290 375 H GLU 53 HN GLU 53 -8.209 -11.215 0.403 376 HA GLU 53 HA GLU 53 -6.323 -13.131 -0.550 377 HB2 GLU 53 HB2 GLU 53 -7.522 -14.685 0.979 378 HB3 GLU 53 HB1 GLU 53 -7.016 -13.193 1.762 379 HG2 GLU 53 HG2 GLU 53 -9.283 -12.316 1.566 380 HG3 GLU 53 HG1 GLU 53 -9.793 -13.801 0.765 381 H GLY 54 HN GLY 54 -6.705 -15.050 -1.659 382 HA2 GLY 54 HA2 GLY 54 -9.338 -15.574 -2.763 383 HA3 GLY 54 HA1 GLY 54 -8.104 -15.121 -3.933 384 H GLN 55 HN GLN 55 -9.640 -17.683 -2.784 385 HA GLN 55 HA GLN 55 -7.666 -19.515 -2.010 386 HB2 GLN 55 HB2 GLN 55 -10.092 -19.836 -1.680 387 HB3 GLN 55 HB1 GLN 55 -10.288 -20.063 -3.412 388 HG2 GLN 55 HG2 GLN 55 -8.912 -22.063 -3.325 389 HG3 GLN 55 HG1 GLN 55 -8.651 -21.822 -1.598 390 HE21 GLN 55 HE21 GLN 55 -10.340 -22.189 -0.165 391 HE22 GLN 55 HE22 GLN 55 -11.737 -23.112 -0.614 392 H ARG 56 HN ARG 56 -8.754 -18.508 -5.195 393 HA ARG 56 HA ARG 56 -6.820 -20.384 -6.381 394 HB2 ARG 56 HB2 ARG 56 -9.446 -19.349 -7.382 395 HB3 ARG 56 HB1 ARG 56 -8.223 -19.905 -8.516 396 HG2 ARG 56 HG2 ARG 56 -9.371 -21.548 -6.268 397 HG3 ARG 56 HG1 ARG 56 -9.855 -21.654 -7.964 398 HD2 ARG 56 HD2 ARG 56 -7.592 -22.302 -8.583 399 HD3 ARG 56 HD1 ARG 56 -7.072 -22.147 -6.906 400 HE ARG 56 HE ARG 56 -9.082 -23.942 -6.741 401 HH11 ARG 56 HH11 ARG 56 -6.274 -23.743 -8.838 402 HH12 ARG 56 HH12 ARG 56 -6.085 -25.474 -8.949 403 HH21 ARG 56 HH21 ARG 56 -8.824 -26.193 -6.864 404 HH22 ARG 56 HH22 ARG 56 -7.543 -26.869 -7.824 405 H GLY 57 HN GLY 57 -6.375 -17.608 -5.325 406 HA2 GLY 57 HA2 GLY 57 -4.325 -16.692 -6.619 407 HA3 GLY 57 HA1 GLY 57 -5.545 -16.292 -7.818 408 HA PRO 58 HA PRO 58 -5.100 -13.036 -4.324 409 HB2 PRO 58 HB2 PRO 58 -3.589 -11.193 -5.656 410 HB3 PRO 58 HB1 PRO 58 -2.905 -12.426 -4.591 411 HG2 PRO 58 HG2 PRO 58 -3.106 -12.399 -7.575 412 HG3 PRO 58 HG1 PRO 58 -1.764 -12.933 -6.544 413 HD2 PRO 58 HD2 PRO 58 -3.484 -14.667 -7.711 414 HD3 PRO 58 HD1 PRO 58 -2.729 -14.983 -6.136 415 H GLN 59 HN GLN 59 -6.818 -11.758 -4.283 416 HA GLN 59 HA GLN 59 -8.168 -11.173 -6.785 417 HB2 GLN 59 HB2 GLN 59 -9.487 -12.116 -4.972 418 HB3 GLN 59 HB1 GLN 59 -9.019 -10.795 -3.910 419 HG2 GLN 59 HG2 GLN 59 -10.326 -9.242 -5.082 420 HG3 GLN 59 HG1 GLN 59 -10.508 -10.317 -6.468 421 HE21 GLN 59 HE21 GLN 59 -11.600 -9.569 -3.251 422 HE22 GLN 59 HE22 GLN 59 -12.973 -10.629 -3.262 423 H ALA 60 HN ALA 60 -7.444 -9.421 -7.816 424 HA ALA 60 HA ALA 60 -6.561 -7.084 -6.383 425 HB1 ALA 60 HB1 ALA 60 -5.559 -7.721 -8.547 426 HB2 ALA 60 HB2 ALA 60 -6.218 -6.086 -8.566 427 HB3 ALA 60 HB3 ALA 60 -7.103 -7.402 -9.333 428 H ALA 61 HN ALA 61 -8.175 -6.210 -5.232 429 HA ALA 61 HA ALA 61 -10.632 -5.479 -6.667 430 HB1 ALA 61 HB1 ALA 61 -11.019 -6.962 -4.766 431 HB2 ALA 61 HB2 ALA 61 -11.723 -5.371 -4.488 432 HB3 ALA 61 HB3 ALA 61 -10.209 -5.814 -3.700 433 H ASN 62 HN ASN 62 -11.601 -3.405 -5.948 434 HA ASN 62 HA ASN 62 -11.492 -1.140 -5.751 435 HB2 ASN 62 HB2 ASN 62 -9.554 -1.823 -3.529 436 HB3 ASN 62 HB1 ASN 62 -10.477 -0.332 -3.688 437 HD21 ASN 62 HD21 ASN 62 -10.405 -2.404 -1.578 438 HD22 ASN 62 HD22 ASN 62 -12.053 -2.894 -1.374 439 H VAL 63 HN VAL 63 -10.251 -1.357 -7.881 440 HA VAL 63 HA VAL 63 -7.422 -0.867 -7.793 441 HB VAL 63 HB VAL 63 -9.321 -0.635 -10.134 442 HG11 VAL 63 HG11 VAL 63 -7.260 0.573 -10.534 443 HG12 VAL 63 HG12 VAL 63 -7.271 -0.907 -11.497 444 HG13 VAL 63 HG13 VAL 63 -6.311 -0.822 -10.017 445 HG21 VAL 63 HG21 VAL 63 -7.590 -2.941 -9.240 446 HG22 VAL 63 HG22 VAL 63 -8.518 -2.878 -10.739 447 HG23 VAL 63 HG23 VAL 63 -9.353 -2.874 -9.185 448 H GLN 64 HN GLN 64 -6.504 1.007 -7.446 449 HA GLN 64 HA GLN 64 -8.049 3.471 -7.891 450 HB2 GLN 64 HB2 GLN 64 -5.648 3.021 -6.103 451 HB3 GLN 64 HB1 GLN 64 -6.539 4.527 -6.271 452 HG2 GLN 64 HG2 GLN 64 -7.586 1.946 -5.129 453 HG3 GLN 64 HG1 GLN 64 -7.159 3.401 -4.230 454 HE21 GLN 64 HE21 GLN 64 -9.683 2.009 -4.320 455 HE22 GLN 64 HE22 GLN 64 -10.858 3.141 -4.904 456 H LYS 65 HN LYS 65 -7.304 4.967 -9.276 457 HA LYS 65 HA LYS 65 -5.202 4.231 -11.063 458 HB2 LYS 65 HB2 LYS 65 -6.770 6.807 -10.844 459 HB3 LYS 65 HB1 LYS 65 -5.694 6.384 -12.169 460 HG2 LYS 65 HG2 LYS 65 -7.125 4.481 -12.726 461 HG3 LYS 65 HG1 LYS 65 -8.206 4.910 -11.398 462 HD2 LYS 65 HD2 LYS 65 -8.661 7.062 -12.465 463 HD3 LYS 65 HD1 LYS 65 -7.572 6.640 -13.787 464 HE2 LYS 65 HE2 LYS 65 -9.017 4.715 -14.326 465 HE3 LYS 65 HE1 LYS 65 -10.122 5.207 -13.042 466 HZ1 LYS 65 HZ1 LYS 65 -9.420 6.817 -15.441 467 HZ2 LYS 65 HZ2 LYS 65 -10.477 7.303 -14.205 468 HZ3 LYS 65 HZ3 LYS 65 -10.880 5.990 -15.198 469 H ALA 66 HN ALA 66 -3.155 4.918 -11.145 470 HA ALA 66 HA ALA 66 -2.053 6.207 -8.833 471 HB1 ALA 66 HB1 ALA 66 -0.873 4.367 -9.937 472 HB2 ALA 66 HB2 ALA 66 0.105 5.833 -9.899 473 HB3 ALA 66 HB3 ALA 66 -0.701 5.351 -11.391 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -1.861 -2.543 -1.325 2 H2 MET 1 HT2 MET 1 -2.799 -2.383 -2.729 3 H3 MET 1 HT3 MET 1 -3.482 -2.038 -1.214 4 HA MET 1 HA MET 1 -2.907 -0.037 -2.511 5 HB2 MET 1 HB2 MET 1 -1.386 -0.491 0.068 6 HB3 MET 1 HB1 MET 1 -1.672 1.085 -0.655 7 HG2 MET 1 HG2 MET 1 -3.744 -0.818 0.410 8 HG3 MET 1 HG1 MET 1 -3.245 0.720 1.115 9 HE1 MET 1 HE1 MET 1 -5.800 1.494 1.255 10 HE2 MET 1 HE2 MET 1 -6.264 -0.072 0.581 11 HE3 MET 1 HE3 MET 1 -6.908 1.414 -0.116 12 H GLU 2 HN GLU 2 -1.328 -2.014 -3.835 13 HA GLU 2 HA GLU 2 1.393 -0.902 -3.697 14 HB2 GLU 2 HB2 GLU 2 0.559 -3.640 -4.676 15 HB3 GLU 2 HB1 GLU 2 2.204 -3.051 -4.505 16 HG2 GLU 2 HG2 GLU 2 1.782 -4.510 -2.687 17 HG3 GLU 2 HG1 GLU 2 1.794 -2.870 -2.041 18 H GLN 3 HN GLN 3 2.563 -0.757 -5.712 19 HA GLN 3 HA GLN 3 0.807 -0.139 -7.960 20 HB2 GLN 3 HB2 GLN 3 2.554 1.483 -7.286 21 HB3 GLN 3 HB1 GLN 3 3.786 0.281 -7.651 22 HG2 GLN 3 HG2 GLN 3 3.076 0.271 -9.990 23 HG3 GLN 3 HG1 GLN 3 1.858 1.493 -9.619 24 HE21 GLN 3 HE21 GLN 3 5.245 0.852 -10.033 25 HE22 GLN 3 HE22 GLN 3 5.751 2.504 -10.109 26 H GLY 4 HN GLY 4 0.645 -1.374 -9.734 27 HA2 GLY 4 HA2 GLY 4 2.692 -3.397 -10.274 28 HA3 GLY 4 HA1 GLY 4 1.048 -3.956 -9.998 29 H THR 5 HN THR 5 2.657 -4.229 -12.380 30 HA THR 5 HA THR 5 1.557 -2.346 -14.294 31 HB THR 5 HB THR 5 3.145 -4.722 -15.142 32 HG1 THR 5 HG1 THR 5 4.768 -4.221 -13.895 33 HG21 THR 5 HG21 THR 5 2.392 -3.042 -16.771 34 HG22 THR 5 HG22 THR 5 4.151 -3.097 -16.658 35 HG23 THR 5 HG23 THR 5 3.257 -1.792 -15.878 36 H VAL 6 HN VAL 6 -0.264 -2.716 -15.401 37 HA VAL 6 HA VAL 6 -1.706 -5.154 -15.210 38 HB VAL 6 HB VAL 6 -2.081 -2.986 -17.282 39 HG11 VAL 6 HG11 VAL 6 -3.272 -5.065 -17.755 40 HG12 VAL 6 HG12 VAL 6 -4.391 -3.763 -17.348 41 HG13 VAL 6 HG13 VAL 6 -4.015 -5.008 -16.157 42 HG21 VAL 6 HG21 VAL 6 -3.238 -3.187 -14.507 43 HG22 VAL 6 HG22 VAL 6 -3.731 -2.018 -15.731 44 HG23 VAL 6 HG23 VAL 6 -2.092 -1.978 -15.081 45 H LYS 7 HN LYS 7 -0.789 -6.948 -16.027 46 HA LYS 7 HA LYS 7 0.881 -6.923 -18.332 47 HB2 LYS 7 HB2 LYS 7 -0.355 -9.257 -16.860 48 HB3 LYS 7 HB1 LYS 7 0.943 -9.364 -18.045 49 HG2 LYS 7 HG2 LYS 7 1.126 -7.838 -15.452 50 HG3 LYS 7 HG1 LYS 7 1.726 -9.479 -15.698 51 HD2 LYS 7 HD2 LYS 7 2.610 -7.357 -17.586 52 HD3 LYS 7 HD1 LYS 7 3.303 -7.374 -15.963 53 HE2 LYS 7 HE2 LYS 7 3.259 -9.746 -17.823 54 HE3 LYS 7 HE1 LYS 7 4.628 -8.646 -17.653 55 HZ1 LYS 7 HZ1 LYS 7 4.671 -9.217 -15.263 56 HZ2 LYS 7 HZ2 LYS 7 4.992 -10.542 -16.272 57 HZ3 LYS 7 HZ3 LYS 7 3.472 -10.381 -15.545 58 H TRP 8 HN TRP 8 -2.109 -8.791 -17.786 59 HA TRP 8 HA TRP 8 -2.981 -8.044 -20.489 60 HB2 TRP 8 HB2 TRP 8 -3.113 -10.861 -19.370 61 HB3 TRP 8 HB1 TRP 8 -3.717 -10.339 -20.938 62 HD1 TRP 8 HD1 TRP 8 -0.642 -11.591 -19.222 63 HE1 TRP 8 HE1 TRP 8 1.312 -11.728 -20.891 64 HE3 TRP 8 HE3 TRP 8 -2.736 -9.011 -23.111 65 HZ2 TRP 8 HZ2 TRP 8 1.879 -10.856 -23.517 66 HZ3 TRP 8 HZ3 TRP 8 -1.416 -8.705 -25.163 67 HH2 TRP 8 HH2 TRP 8 0.845 -9.607 -25.361 68 H PHE 9 HN PHE 9 -5.060 -7.432 -20.541 69 HA PHE 9 HA PHE 9 -6.839 -8.398 -18.426 70 HB2 PHE 9 HB2 PHE 9 -6.131 -6.126 -17.785 71 HB3 PHE 9 HB1 PHE 9 -6.682 -5.511 -19.342 72 HD1 PHE 9 HD2 PHE 9 -7.946 -7.417 -16.399 73 HD2 PHE 9 HD1 PHE 9 -8.803 -4.616 -19.485 74 HE1 PHE 9 HE2 PHE 9 -10.193 -7.076 -15.460 75 HE2 PHE 9 HE1 PHE 9 -11.054 -4.272 -18.553 76 HZ PHE 9 HZ PHE 9 -11.752 -5.503 -16.536 77 H ASN 10 HN ASN 10 -8.160 -9.661 -19.568 78 HA ASN 10 HA ASN 10 -8.962 -8.975 -22.244 79 HB2 ASN 10 HB2 ASN 10 -8.638 -11.352 -21.403 80 HB3 ASN 10 HB1 ASN 10 -10.142 -11.145 -20.505 81 HD21 ASN 10 HD21 ASN 10 -8.719 -11.811 -23.528 82 HD22 ASN 10 HD22 ASN 10 -10.186 -11.963 -24.441 83 H ALA 11 HN ALA 11 -9.963 -7.008 -21.975 84 HA ALA 11 HA ALA 11 -11.990 -6.459 -20.083 85 HB1 ALA 11 HB1 ALA 11 -10.679 -4.696 -21.140 86 HB2 ALA 11 HB2 ALA 11 -12.403 -4.441 -21.406 87 HB3 ALA 11 HB3 ALA 11 -11.398 -5.085 -22.701 88 H GLU 12 HN GLU 12 -12.046 -8.205 -23.000 89 HA GLU 12 HA GLU 12 -14.741 -7.772 -23.762 90 HB2 GLU 12 HB2 GLU 12 -13.077 -10.252 -24.243 91 HB3 GLU 12 HB1 GLU 12 -14.488 -9.734 -25.154 92 HG2 GLU 12 HG2 GLU 12 -13.222 -7.724 -25.865 93 HG3 GLU 12 HG1 GLU 12 -11.801 -8.389 -25.061 94 H LYS 13 HN LYS 13 -13.140 -10.036 -21.591 95 HA LYS 13 HA LYS 13 -15.735 -11.228 -20.924 96 HB2 LYS 13 HB2 LYS 13 -13.005 -12.071 -19.938 97 HB3 LYS 13 HB1 LYS 13 -14.507 -12.976 -19.811 98 HG2 LYS 13 HG2 LYS 13 -13.045 -12.321 -22.359 99 HG3 LYS 13 HG1 LYS 13 -13.075 -13.884 -21.543 100 HD2 LYS 13 HD2 LYS 13 -15.371 -14.191 -22.013 101 HD3 LYS 13 HD1 LYS 13 -15.569 -12.509 -22.514 102 HE2 LYS 13 HE2 LYS 13 -15.494 -14.023 -24.443 103 HE3 LYS 13 HE1 LYS 13 -14.141 -12.895 -24.445 104 HZ1 LYS 13 HZ1 LYS 13 -13.386 -15.095 -25.013 105 HZ2 LYS 13 HZ2 LYS 13 -14.055 -15.743 -23.595 106 HZ3 LYS 13 HZ3 LYS 13 -12.746 -14.666 -23.501 107 H GLY 14 HN GLY 14 -13.155 -9.261 -19.625 108 HA2 GLY 14 HA2 GLY 14 -13.733 -7.543 -18.049 109 HA3 GLY 14 HA1 GLY 14 -14.934 -8.629 -17.370 110 H PHE 15 HN PHE 15 -11.795 -9.927 -18.109 111 HA PHE 15 HA PHE 15 -10.882 -9.521 -15.377 112 HB2 PHE 15 HB2 PHE 15 -10.662 -11.837 -14.803 113 HB3 PHE 15 HB1 PHE 15 -12.328 -11.567 -15.296 114 HD1 PHE 15 HD2 PHE 15 -9.147 -13.157 -16.166 115 HD2 PHE 15 HD1 PHE 15 -13.208 -12.583 -17.305 116 HE1 PHE 15 HE2 PHE 15 -8.958 -15.015 -17.764 117 HE2 PHE 15 HE1 PHE 15 -13.022 -14.446 -18.899 118 HZ PHE 15 HZ PHE 15 -10.896 -15.661 -19.133 119 H GLY 16 HN GLY 16 -8.680 -10.357 -15.026 120 HA2 GLY 16 HA2 GLY 16 -7.122 -11.196 -17.272 121 HA3 GLY 16 HA1 GLY 16 -6.886 -9.490 -16.918 122 H PHE 17 HN PHE 17 -4.662 -10.156 -16.534 123 HA PHE 17 HA PHE 17 -4.298 -11.086 -13.783 124 HB2 PHE 17 HB2 PHE 17 -2.744 -12.074 -16.186 125 HB3 PHE 17 HB1 PHE 17 -2.282 -12.372 -14.513 126 HD1 PHE 17 HD1 PHE 17 -3.899 -13.662 -13.041 127 HD2 PHE 17 HD2 PHE 17 -4.254 -13.476 -17.278 128 HE1 PHE 17 HE1 PHE 17 -5.311 -15.676 -13.009 129 HE2 PHE 17 HE2 PHE 17 -5.665 -15.490 -17.253 130 HZ PHE 17 HZ PHE 17 -6.195 -16.593 -15.115 131 H ILE 18 HN ILE 18 -3.104 -9.729 -12.676 132 HA ILE 18 HA ILE 18 -1.437 -7.812 -14.166 133 HB ILE 18 HB ILE 18 -3.562 -6.963 -12.990 134 HG12 ILE 18 HG12 ILE 18 -0.911 -5.713 -12.257 135 HG13 ILE 18 HG11 ILE 18 -1.742 -5.529 -13.802 136 HG21 ILE 18 HG21 ILE 18 -3.295 -6.455 -10.590 137 HG22 ILE 18 HG22 ILE 18 -1.823 -7.424 -10.575 138 HG23 ILE 18 HG23 ILE 18 -3.374 -8.184 -10.921 139 HD11 ILE 18 HD11 ILE 18 -2.780 -4.624 -11.125 140 HD12 ILE 18 HD12 ILE 18 -3.606 -4.440 -12.673 141 HD13 ILE 18 HD13 ILE 18 -2.088 -3.592 -12.376 142 H GLU 19 HN GLU 19 0.499 -7.043 -12.933 143 HA GLU 19 HA GLU 19 1.507 -9.262 -11.290 144 HB2 GLU 19 HB2 GLU 19 3.764 -8.575 -11.923 145 HB3 GLU 19 HB1 GLU 19 2.786 -8.916 -13.342 146 HG2 GLU 19 HG2 GLU 19 2.507 -6.574 -13.778 147 HG3 GLU 19 HG1 GLU 19 3.314 -6.156 -12.267 148 H ARG 20 HN ARG 20 2.099 -8.965 -9.287 149 HA ARG 20 HA ARG 20 2.178 -6.252 -8.181 150 HB2 ARG 20 HB2 ARG 20 0.804 -7.812 -6.938 151 HB3 ARG 20 HB1 ARG 20 2.098 -8.998 -6.900 152 HG2 ARG 20 HG2 ARG 20 3.388 -7.599 -5.414 153 HG3 ARG 20 HG1 ARG 20 2.177 -6.321 -5.525 154 HD2 ARG 20 HD2 ARG 20 0.619 -7.512 -4.276 155 HD3 ARG 20 HD1 ARG 20 1.402 -9.060 -4.591 156 HE ARG 20 HE ARG 20 3.231 -8.229 -3.102 157 HH11 ARG 20 HH11 ARG 20 0.004 -6.885 -2.771 158 HH12 ARG 20 HH12 ARG 20 0.195 -6.532 -1.083 159 HH21 ARG 20 HH21 ARG 20 3.477 -7.762 -0.917 160 HH22 ARG 20 HH22 ARG 20 2.183 -7.019 -0.023 161 H GLU 21 HN GLU 21 4.033 -5.685 -6.801 162 HA GLU 21 HA GLU 21 6.477 -5.811 -7.979 163 HB2 GLU 21 HB2 GLU 21 6.113 -5.797 -4.981 164 HB3 GLU 21 HB1 GLU 21 7.450 -5.107 -5.892 165 HG2 GLU 21 HG2 GLU 21 6.017 -3.412 -6.812 166 HG3 GLU 21 HG1 GLU 21 4.602 -4.157 -6.070 167 H ASN 22 HN ASN 22 5.234 -8.060 -5.541 168 HA ASN 22 HA ASN 22 7.148 -10.027 -6.592 169 HB2 ASN 22 HB2 ASN 22 7.740 -9.317 -4.268 170 HB3 ASN 22 HB1 ASN 22 6.167 -9.898 -3.729 171 HD21 ASN 22 HD21 ASN 22 9.316 -10.790 -4.881 172 HD22 ASN 22 HD22 ASN 22 9.209 -12.470 -4.469 173 H GLY 23 HN GLY 23 5.237 -10.303 -8.080 174 HA2 GLY 23 HA2 GLY 23 4.087 -12.763 -7.663 175 HA3 GLY 23 HA1 GLY 23 2.917 -11.620 -7.018 176 H ASP 24 HN ASP 24 4.362 -12.944 -9.864 177 HA ASP 24 HA ASP 24 3.210 -11.050 -11.703 178 HB2 ASP 24 HB2 ASP 24 4.531 -13.732 -12.122 179 HB3 ASP 24 HB1 ASP 24 3.935 -12.731 -13.440 180 H ASP 25 HN ASP 25 1.471 -12.744 -9.839 181 HA ASP 25 HA ASP 25 -0.456 -13.515 -11.893 182 HB2 ASP 25 HB2 ASP 25 0.750 -15.592 -11.395 183 HB3 ASP 25 HB1 ASP 25 0.408 -15.392 -9.681 184 H VAL 26 HN VAL 26 -1.507 -11.627 -11.171 185 HA VAL 26 HA VAL 26 -3.085 -12.101 -8.729 186 HB VAL 26 HB VAL 26 -2.324 -9.390 -9.850 187 HG11 VAL 26 HG11 VAL 26 -3.310 -8.507 -7.795 188 HG12 VAL 26 HG12 VAL 26 -3.770 -10.140 -7.312 189 HG13 VAL 26 HG13 VAL 26 -4.495 -9.406 -8.743 190 HG21 VAL 26 HG21 VAL 26 -0.385 -10.484 -8.861 191 HG22 VAL 26 HG22 VAL 26 -1.300 -10.791 -7.383 192 HG23 VAL 26 HG23 VAL 26 -0.925 -9.134 -7.861 193 H PHE 27 HN PHE 27 -5.205 -12.299 -9.111 194 HA PHE 27 HA PHE 27 -6.111 -12.042 -11.850 195 HB2 PHE 27 HB2 PHE 27 -6.676 -14.034 -10.500 196 HB3 PHE 27 HB1 PHE 27 -7.592 -13.013 -9.397 197 HD1 PHE 27 HD2 PHE 27 -7.473 -14.400 -12.805 198 HD2 PHE 27 HD1 PHE 27 -9.790 -12.273 -9.937 199 HE1 PHE 27 HE2 PHE 27 -9.479 -14.714 -14.197 200 HE2 PHE 27 HE1 PHE 27 -11.798 -12.584 -11.324 201 HZ PHE 27 HZ PHE 27 -11.645 -13.805 -13.457 202 H VAL 28 HN VAL 28 -6.577 -10.043 -12.471 203 HA VAL 28 HA VAL 28 -8.009 -8.260 -10.653 204 HB VAL 28 HB VAL 28 -6.050 -7.355 -11.851 205 HG11 VAL 28 HG11 VAL 28 -6.164 -8.618 -13.906 206 HG12 VAL 28 HG12 VAL 28 -6.182 -6.889 -14.259 207 HG13 VAL 28 HG13 VAL 28 -7.677 -7.821 -14.341 208 HG21 VAL 28 HG21 VAL 28 -8.668 -6.096 -12.648 209 HG22 VAL 28 HG22 VAL 28 -7.095 -5.301 -12.699 210 HG23 VAL 28 HG23 VAL 28 -7.774 -5.813 -11.154 211 H HIS 29 HN HIS 29 -10.054 -7.423 -11.116 212 HA HIS 29 HA HIS 29 -11.469 -8.541 -13.407 213 HB2 HIS 29 HB2 HIS 29 -13.375 -9.264 -11.931 214 HB3 HIS 29 HB1 HIS 29 -11.916 -10.232 -11.791 215 HD1 HIS 29 HD1 HIS 29 -14.454 -8.922 -9.758 216 HD2 HIS 29 HD2 HIS 29 -10.314 -9.146 -9.383 217 HE1 HIS 29 HE1 HIS 29 -13.980 -8.708 -7.295 218 HE2 HIS 29 HE2 HIS 29 -11.462 -8.696 -7.097 219 H PHE 30 HN PHE 30 -13.270 -7.402 -14.076 220 HA PHE 30 HA PHE 30 -12.929 -4.635 -13.848 221 HB2 PHE 30 HB2 PHE 30 -14.745 -4.401 -15.365 222 HB3 PHE 30 HB1 PHE 30 -13.906 -5.879 -15.809 223 HD1 PHE 30 HD1 PHE 30 -14.898 -8.094 -14.925 224 HD2 PHE 30 HD2 PHE 30 -17.028 -4.411 -15.004 225 HE1 PHE 30 HE1 PHE 30 -17.024 -9.325 -14.809 226 HE2 PHE 30 HE2 PHE 30 -19.158 -5.635 -14.887 227 HZ PHE 30 HZ PHE 30 -19.159 -8.097 -14.792 228 H SER 31 HN SER 31 -14.935 -6.757 -11.982 229 HA SER 31 HA SER 31 -16.753 -4.721 -11.106 230 HB2 SER 31 HB2 SER 31 -17.407 -6.543 -9.433 231 HB3 SER 31 HB1 SER 31 -17.628 -6.916 -11.142 232 HG SER 31 HG SER 31 -16.624 -8.648 -10.102 233 H ALA 32 HN ALA 32 -13.577 -5.410 -10.342 234 HA ALA 32 HA ALA 32 -13.862 -4.203 -7.670 235 HB1 ALA 32 HB1 ALA 32 -11.831 -5.282 -7.022 236 HB2 ALA 32 HB2 ALA 32 -11.544 -5.843 -8.671 237 HB3 ALA 32 HB3 ALA 32 -12.896 -6.491 -7.740 238 H ILE 33 HN ILE 33 -12.402 -3.930 -10.804 239 HA ILE 33 HA ILE 33 -10.561 -1.846 -10.211 240 HB ILE 33 HB ILE 33 -12.000 -2.364 -12.828 241 HG12 ILE 33 HG12 ILE 33 -9.337 -3.437 -11.877 242 HG13 ILE 33 HG11 ILE 33 -10.823 -4.375 -11.986 243 HG21 ILE 33 HG21 ILE 33 -10.917 -0.191 -12.737 244 HG22 ILE 33 HG22 ILE 33 -10.059 -1.263 -13.844 245 HG23 ILE 33 HG23 ILE 33 -9.406 -0.948 -12.237 246 HD11 ILE 33 HD11 ILE 33 -9.386 -4.809 -13.883 247 HD12 ILE 33 HD12 ILE 33 -9.368 -3.092 -14.287 248 HD13 ILE 33 HD13 ILE 33 -10.871 -4.010 -14.403 249 H GLN 34 HN GLN 34 -10.839 0.431 -10.490 250 HA GLN 34 HA GLN 34 -13.643 1.301 -10.595 251 HB2 GLN 34 HB2 GLN 34 -12.943 3.317 -9.355 252 HB3 GLN 34 HB1 GLN 34 -12.650 1.842 -8.449 253 HG2 GLN 34 HG2 GLN 34 -10.708 2.941 -8.044 254 HG3 GLN 34 HG1 GLN 34 -10.250 2.065 -9.503 255 HE21 GLN 34 HE21 GLN 34 -8.689 3.519 -10.100 256 HE22 GLN 34 HE22 GLN 34 -9.044 5.123 -10.656 257 H GLY 35 HN GLY 35 -14.227 2.862 -12.038 258 HA2 GLY 35 HA2 GLY 35 -12.268 4.291 -13.589 259 HA3 GLY 35 HA1 GLY 35 -13.041 2.989 -14.482 260 H ASP 36 HN ASP 36 -13.240 5.711 -15.178 261 HA ASP 36 HA ASP 36 -15.955 6.447 -14.332 262 HB2 ASP 36 HB2 ASP 36 -14.112 8.129 -14.101 263 HB3 ASP 36 HB1 ASP 36 -13.940 8.117 -15.853 264 H GLY 37 HN GLY 37 -17.325 5.312 -15.598 265 HA2 GLY 37 HA2 GLY 37 -18.648 5.271 -17.556 266 HA3 GLY 37 HA1 GLY 37 -17.290 5.924 -18.459 267 H PHE 38 HN PHE 38 -15.276 4.276 -18.118 268 HA PHE 38 HA PHE 38 -16.306 1.646 -18.955 269 HB2 PHE 38 HB2 PHE 38 -13.717 2.980 -19.779 270 HB3 PHE 38 HB1 PHE 38 -14.297 1.412 -20.334 271 HD1 PHE 38 HD1 PHE 38 -16.568 1.395 -21.559 272 HD2 PHE 38 HD2 PHE 38 -14.215 4.893 -20.980 273 HE1 PHE 38 HE1 PHE 38 -17.744 2.490 -23.422 274 HE2 PHE 38 HE2 PHE 38 -15.386 5.994 -22.842 275 HZ PHE 38 HZ PHE 38 -17.155 4.792 -24.064 276 H LYS 39 HN LYS 39 -15.265 -0.206 -18.162 277 HA LYS 39 HA LYS 39 -13.743 0.299 -15.703 278 HB2 LYS 39 HB2 LYS 39 -15.148 -2.236 -16.561 279 HB3 LYS 39 HB1 LYS 39 -14.411 -1.933 -14.995 280 HG2 LYS 39 HG2 LYS 39 -16.881 -0.668 -16.147 281 HG3 LYS 39 HG1 LYS 39 -16.747 -1.698 -14.723 282 HD2 LYS 39 HD2 LYS 39 -15.641 1.093 -15.033 283 HD3 LYS 39 HD1 LYS 39 -17.038 0.621 -14.066 284 HE2 LYS 39 HE2 LYS 39 -14.190 -0.265 -13.614 285 HE3 LYS 39 HE1 LYS 39 -15.051 0.955 -12.678 286 HZ1 LYS 39 HZ1 LYS 39 -15.119 -1.072 -11.481 287 HZ2 LYS 39 HZ2 LYS 39 -15.652 -1.945 -12.830 288 HZ3 LYS 39 HZ3 LYS 39 -16.682 -0.816 -12.095 289 H SER 40 HN SER 40 -13.050 -0.225 -18.771 290 HA SER 40 HA SER 40 -11.264 -2.419 -18.722 291 HB2 SER 40 HB2 SER 40 -10.390 -1.305 -20.848 292 HB3 SER 40 HB1 SER 40 -12.102 -1.728 -20.837 293 HG SER 40 HG SER 40 -11.123 0.834 -20.122 294 H LEU 41 HN LEU 41 -9.271 -2.557 -17.937 295 HA LEU 41 HA LEU 41 -8.000 -0.146 -16.913 296 HB2 LEU 41 HB2 LEU 41 -8.242 -2.420 -15.664 297 HB3 LEU 41 HB1 LEU 41 -6.884 -2.913 -16.655 298 HG LEU 41 HG LEU 41 -5.480 -1.202 -15.696 299 HD11 LEU 41 HD11 LEU 41 -7.182 0.528 -15.374 300 HD12 LEU 41 HD12 LEU 41 -6.255 0.243 -13.901 301 HD13 LEU 41 HD13 LEU 41 -7.884 -0.412 -14.057 302 HD21 LEU 41 HD21 LEU 41 -6.975 -2.694 -13.545 303 HD22 LEU 41 HD22 LEU 41 -5.336 -2.051 -13.435 304 HD23 LEU 41 HD23 LEU 41 -5.695 -3.368 -14.551 305 H ASP 42 HN ASP 42 -5.910 0.462 -17.485 306 HA ASP 42 HA ASP 42 -5.386 0.170 -20.272 307 HB2 ASP 42 HB2 ASP 42 -3.605 1.484 -18.221 308 HB3 ASP 42 HB1 ASP 42 -3.692 1.825 -19.945 309 H GLU 43 HN GLU 43 -4.129 -1.313 -21.227 310 HA GLU 43 HA GLU 43 -2.636 -3.208 -19.719 311 HB2 GLU 43 HB2 GLU 43 -1.818 -3.989 -21.944 312 HB3 GLU 43 HB1 GLU 43 -3.570 -3.903 -21.822 313 HG2 GLU 43 HG2 GLU 43 -3.596 -1.841 -23.064 314 HG3 GLU 43 HG1 GLU 43 -1.834 -1.807 -23.102 315 H GLY 44 HN GLY 44 -0.543 -3.231 -19.139 316 HA2 GLY 44 HA2 GLY 44 1.689 -2.590 -19.048 317 HA3 GLY 44 HA1 GLY 44 1.390 -1.464 -20.366 318 H GLN 45 HN GLN 45 -0.954 -1.000 -18.083 319 HA GLN 45 HA GLN 45 0.214 1.493 -17.222 320 HB2 GLN 45 HB2 GLN 45 -2.223 1.095 -17.818 321 HB3 GLN 45 HB1 GLN 45 -2.362 0.219 -16.304 322 HG2 GLN 45 HG2 GLN 45 -3.203 2.393 -15.960 323 HG3 GLN 45 HG1 GLN 45 -1.651 2.292 -15.125 324 HE21 GLN 45 HE21 GLN 45 0.060 3.529 -15.843 325 HE22 GLN 45 HE22 GLN 45 -0.110 4.773 -17.030 326 H ALA 46 HN ALA 46 1.384 1.762 -15.402 327 HA ALA 46 HA ALA 46 1.488 -0.373 -13.440 328 HB1 ALA 46 HB1 ALA 46 3.559 0.760 -14.148 329 HB2 ALA 46 HB2 ALA 46 3.283 0.885 -12.411 330 HB3 ALA 46 HB3 ALA 46 2.950 2.264 -13.459 331 H VAL 47 HN VAL 47 -0.600 -0.281 -12.604 332 HA VAL 47 HA VAL 47 -1.599 2.234 -11.529 333 HB VAL 47 HB VAL 47 -3.675 0.924 -11.077 334 HG11 VAL 47 HG11 VAL 47 -2.632 0.826 -13.904 335 HG12 VAL 47 HG12 VAL 47 -3.451 2.187 -13.136 336 HG13 VAL 47 HG13 VAL 47 -4.326 0.684 -13.433 337 HG21 VAL 47 HG21 VAL 47 -2.192 -1.281 -12.508 338 HG22 VAL 47 HG22 VAL 47 -3.898 -1.306 -12.061 339 HG23 VAL 47 HG23 VAL 47 -2.658 -1.279 -10.808 340 H THR 48 HN THR 48 -2.744 2.135 -9.402 341 HA THR 48 HA THR 48 -1.172 0.561 -7.471 342 HB THR 48 HB THR 48 -2.003 2.394 -5.834 343 HG1 THR 48 HG1 THR 48 -2.171 3.864 -8.271 344 HG21 THR 48 HG21 THR 48 0.015 3.110 -7.965 345 HG22 THR 48 HG22 THR 48 0.337 2.101 -6.553 346 HG23 THR 48 HG23 THR 48 -0.083 3.803 -6.346 347 H PHE 49 HN PHE 49 -2.286 -1.128 -6.819 348 HA PHE 49 HA PHE 49 -5.200 -0.853 -6.492 349 HB2 PHE 49 HB2 PHE 49 -5.357 -3.246 -7.218 350 HB3 PHE 49 HB1 PHE 49 -4.812 -2.149 -8.481 351 HD1 PHE 49 HD1 PHE 49 -3.761 -4.787 -6.146 352 HD2 PHE 49 HD2 PHE 49 -2.636 -2.344 -9.434 353 HE1 PHE 49 HE1 PHE 49 -1.783 -6.202 -6.511 354 HE2 PHE 49 HE2 PHE 49 -0.653 -3.751 -9.803 355 HZ PHE 49 HZ PHE 49 -0.224 -5.682 -8.342 356 H ASP 50 HN ASP 50 -6.186 -2.340 -4.958 357 HA ASP 50 HA ASP 50 -4.271 -3.139 -2.861 358 HB2 ASP 50 HB2 ASP 50 -6.125 -1.505 -2.278 359 HB3 ASP 50 HB1 ASP 50 -7.251 -2.845 -2.501 360 H VAL 51 HN VAL 51 -3.804 -5.195 -2.752 361 HA VAL 51 HA VAL 51 -5.038 -7.127 -4.404 362 HB VAL 51 HB VAL 51 -3.097 -7.516 -2.121 363 HG11 VAL 51 HG11 VAL 51 -2.550 -9.644 -3.162 364 HG12 VAL 51 HG12 VAL 51 -3.772 -9.368 -4.402 365 HG13 VAL 51 HG13 VAL 51 -4.256 -9.590 -2.721 366 HG21 VAL 51 HG21 VAL 51 -2.614 -7.215 -5.082 367 HG22 VAL 51 HG22 VAL 51 -1.386 -7.571 -3.867 368 HG23 VAL 51 HG23 VAL 51 -2.234 -6.024 -3.838 369 H GLU 52 HN GLU 52 -6.623 -8.527 -4.054 370 HA GLU 52 HA GLU 52 -7.856 -8.718 -1.406 371 HB2 GLU 52 HB2 GLU 52 -8.740 -9.976 -4.007 372 HB3 GLU 52 HB1 GLU 52 -9.665 -9.888 -2.519 373 HG2 GLU 52 HG2 GLU 52 -9.800 -7.468 -2.739 374 HG3 GLU 52 HG1 GLU 52 -8.858 -7.553 -4.230 375 H GLU 53 HN GLU 53 -8.378 -10.854 -0.557 376 HA GLU 53 HA GLU 53 -6.397 -12.877 -1.361 377 HB2 GLU 53 HB2 GLU 53 -7.634 -12.384 1.356 378 HB3 GLU 53 HB1 GLU 53 -6.516 -13.689 0.975 379 HG2 GLU 53 HG2 GLU 53 -4.752 -12.149 0.538 380 HG3 GLU 53 HG1 GLU 53 -5.852 -10.777 0.643 381 H GLY 54 HN GLY 54 -7.349 -14.412 -2.524 382 HA2 GLY 54 HA2 GLY 54 -9.981 -15.396 -1.614 383 HA3 GLY 54 HA1 GLY 54 -9.605 -15.185 -3.320 384 H GLN 55 HN GLN 55 -10.456 -17.610 -2.632 385 HA GLN 55 HA GLN 55 -8.138 -19.279 -2.013 386 HB2 GLN 55 HB2 GLN 55 -11.036 -20.056 -2.380 387 HB3 GLN 55 HB1 GLN 55 -9.745 -21.118 -1.830 388 HG2 GLN 55 HG2 GLN 55 -9.419 -19.572 0.106 389 HG3 GLN 55 HG1 GLN 55 -10.874 -18.723 -0.412 390 HE21 GLN 55 HE21 GLN 55 -10.387 -22.187 -0.615 391 HE22 GLN 55 HE22 GLN 55 -11.583 -22.609 0.563 392 H ARG 56 HN ARG 56 -7.229 -18.558 -4.058 393 HA ARG 56 HA ARG 56 -7.273 -20.442 -6.092 394 HB2 ARG 56 HB2 ARG 56 -8.405 -19.268 -7.916 395 HB3 ARG 56 HB1 ARG 56 -9.532 -19.587 -6.607 396 HG2 ARG 56 HG2 ARG 56 -9.089 -17.210 -5.840 397 HG3 ARG 56 HG1 ARG 56 -8.287 -16.973 -7.395 398 HD2 ARG 56 HD2 ARG 56 -10.566 -16.238 -7.580 399 HD3 ARG 56 HD1 ARG 56 -10.364 -17.715 -8.523 400 HE ARG 56 HE ARG 56 -11.411 -17.909 -5.791 401 HH11 ARG 56 HH11 ARG 56 -11.944 -18.156 -9.243 402 HH12 ARG 56 HH12 ARG 56 -13.452 -18.991 -9.086 403 HH21 ARG 56 HH21 ARG 56 -13.377 -19.033 -5.566 404 HH22 ARG 56 HH22 ARG 56 -14.276 -19.510 -6.981 405 H GLY 57 HN GLY 57 -6.820 -17.170 -5.061 406 HA2 GLY 57 HA2 GLY 57 -4.131 -16.978 -5.382 407 HA3 GLY 57 HA1 GLY 57 -4.782 -16.499 -6.949 408 HA PRO 58 HA PRO 58 -5.083 -12.823 -4.097 409 HB2 PRO 58 HB2 PRO 58 -3.232 -11.233 -5.273 410 HB3 PRO 58 HB1 PRO 58 -2.833 -12.350 -3.964 411 HG2 PRO 58 HG2 PRO 58 -2.373 -12.619 -6.893 412 HG3 PRO 58 HG1 PRO 58 -1.357 -13.149 -5.542 413 HD2 PRO 58 HD2 PRO 58 -3.021 -14.796 -7.009 414 HD3 PRO 58 HD1 PRO 58 -2.444 -15.145 -5.369 415 H GLN 59 HN GLN 59 -6.731 -11.561 -4.680 416 HA GLN 59 HA GLN 59 -7.297 -11.169 -7.522 417 HB2 GLN 59 HB2 GLN 59 -8.985 -10.319 -5.162 418 HB3 GLN 59 HB1 GLN 59 -9.492 -10.455 -6.837 419 HG2 GLN 59 HG2 GLN 59 -8.616 -12.799 -5.172 420 HG3 GLN 59 HG1 GLN 59 -10.289 -12.268 -5.310 421 HE21 GLN 59 HE21 GLN 59 -11.380 -12.542 -7.245 422 HE22 GLN 59 HE22 GLN 59 -10.806 -13.618 -8.474 423 H ALA 60 HN ALA 60 -8.147 -8.880 -8.068 424 HA ALA 60 HA ALA 60 -6.512 -6.892 -6.637 425 HB1 ALA 60 HB1 ALA 60 -6.994 -7.008 -9.610 426 HB2 ALA 60 HB2 ALA 60 -5.486 -7.404 -8.785 427 HB3 ALA 60 HB3 ALA 60 -6.101 -5.750 -8.755 428 H ALA 61 HN ALA 61 -7.842 -5.609 -5.565 429 HA ALA 61 HA ALA 61 -10.201 -4.537 -6.970 430 HB1 ALA 61 HB1 ALA 61 -10.912 -6.005 -5.153 431 HB2 ALA 61 HB2 ALA 61 -11.321 -4.326 -4.800 432 HB3 ALA 61 HB3 ALA 61 -9.934 -5.080 -4.013 433 H ASN 62 HN ASN 62 -10.821 -2.356 -6.280 434 HA ASN 62 HA ASN 62 -10.290 -0.152 -6.165 435 HB2 ASN 62 HB2 ASN 62 -8.596 -1.190 -3.885 436 HB3 ASN 62 HB1 ASN 62 -8.818 0.523 -4.225 437 HD21 ASN 62 HD21 ASN 62 -9.561 -1.023 -1.878 438 HD22 ASN 62 HD22 ASN 62 -11.268 -0.807 -1.683 439 H VAL 63 HN VAL 63 -9.353 -0.295 -8.232 440 HA VAL 63 HA VAL 63 -6.421 -0.371 -8.294 441 HB VAL 63 HB VAL 63 -8.348 -0.744 -10.594 442 HG11 VAL 63 HG11 VAL 63 -6.391 -1.546 -11.808 443 HG12 VAL 63 HG12 VAL 63 -5.374 -1.195 -10.411 444 HG13 VAL 63 HG13 VAL 63 -6.176 0.118 -11.271 445 HG21 VAL 63 HG21 VAL 63 -7.798 -3.116 -10.479 446 HG22 VAL 63 HG22 VAL 63 -8.528 -2.574 -8.965 447 HG23 VAL 63 HG23 VAL 63 -6.783 -2.826 -9.065 448 H GLN 64 HN GLN 64 -5.761 1.671 -8.010 449 HA GLN 64 HA GLN 64 -7.147 3.892 -9.248 450 HB2 GLN 64 HB2 GLN 64 -6.127 3.934 -6.934 451 HB3 GLN 64 HB1 GLN 64 -4.551 3.910 -7.711 452 HG2 GLN 64 HG2 GLN 64 -5.101 6.018 -8.845 453 HG3 GLN 64 HG1 GLN 64 -6.648 6.045 -7.999 454 HE21 GLN 64 HE21 GLN 64 -3.599 4.974 -6.611 455 HE22 GLN 64 HE22 GLN 64 -3.457 6.270 -5.467 456 H LYS 65 HN LYS 65 -6.661 4.700 -11.187 457 HA LYS 65 HA LYS 65 -4.641 3.526 -12.810 458 HB2 LYS 65 HB2 LYS 65 -6.461 5.902 -13.187 459 HB3 LYS 65 HB1 LYS 65 -5.274 5.436 -14.396 460 HG2 LYS 65 HG2 LYS 65 -6.354 3.365 -14.794 461 HG3 LYS 65 HG1 LYS 65 -7.388 3.557 -13.376 462 HD2 LYS 65 HD2 LYS 65 -8.517 5.433 -14.416 463 HD3 LYS 65 HD1 LYS 65 -7.438 5.345 -15.808 464 HE2 LYS 65 HE2 LYS 65 -9.048 2.952 -15.033 465 HE3 LYS 65 HE1 LYS 65 -9.825 4.274 -15.900 466 HZ1 LYS 65 HZ1 LYS 65 -8.904 2.427 -17.308 467 HZ2 LYS 65 HZ2 LYS 65 -7.348 2.957 -16.891 468 HZ3 LYS 65 HZ3 LYS 65 -8.398 3.980 -17.738 469 H ALA 66 HN ALA 66 -2.574 4.094 -13.067 470 HA ALA 66 HA ALA 66 -1.719 6.735 -12.126 471 HB1 ALA 66 HB1 ALA 66 0.249 5.747 -11.067 472 HB2 ALA 66 HB2 ALA 66 -0.323 4.134 -11.498 473 HB3 ALA 66 HB3 ALA 66 -1.239 5.119 -10.356 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 1.067 -0.175 0.822 2 H2 MET 1 HT2 MET 1 0.249 1.008 -0.070 3 H3 MET 1 HT3 MET 1 1.638 1.424 0.813 4 HA MET 1 HA MET 1 2.139 1.268 -1.535 5 HB2 MET 1 HB2 MET 1 3.298 -1.042 0.048 6 HB3 MET 1 HB1 MET 1 4.003 -0.325 -1.397 7 HG2 MET 1 HG2 MET 1 3.606 1.032 1.262 8 HG3 MET 1 HG1 MET 1 5.136 0.466 0.587 9 HE1 MET 1 HE1 MET 1 6.007 2.994 1.193 10 HE2 MET 1 HE2 MET 1 4.379 3.440 1.702 11 HE3 MET 1 HE3 MET 1 5.246 4.444 0.539 12 H GLU 2 HN GLU 2 0.881 0.672 -3.185 13 HA GLU 2 HA GLU 2 0.271 -2.123 -3.617 14 HB2 GLU 2 HB2 GLU 2 -2.186 -1.709 -3.736 15 HB3 GLU 2 HB1 GLU 2 -1.522 -1.581 -2.117 16 HG2 GLU 2 HG2 GLU 2 -2.059 0.807 -3.869 17 HG3 GLU 2 HG1 GLU 2 -3.245 0.140 -2.751 18 H GLN 3 HN GLN 3 1.718 -0.010 -4.993 19 HA GLN 3 HA GLN 3 0.115 0.551 -7.348 20 HB2 GLN 3 HB2 GLN 3 1.705 2.240 -6.442 21 HB3 GLN 3 HB1 GLN 3 3.034 1.151 -6.814 22 HG2 GLN 3 HG2 GLN 3 2.422 1.261 -9.196 23 HG3 GLN 3 HG1 GLN 3 1.144 2.405 -8.793 24 HE21 GLN 3 HE21 GLN 3 1.693 4.489 -8.136 25 HE22 GLN 3 HE22 GLN 3 3.266 5.151 -8.413 26 H GLY 4 HN GLY 4 -0.104 -0.930 -8.861 27 HA2 GLY 4 HA2 GLY 4 2.213 -2.650 -9.506 28 HA3 GLY 4 HA1 GLY 4 0.571 -3.288 -9.462 29 H THR 5 HN THR 5 1.460 -3.830 -11.766 30 HA THR 5 HA THR 5 0.514 -1.659 -13.516 31 HB THR 5 HB THR 5 2.765 -3.531 -14.263 32 HG1 THR 5 HG1 THR 5 2.875 -1.542 -12.528 33 HG21 THR 5 HG21 THR 5 3.168 -1.698 -15.950 34 HG22 THR 5 HG22 THR 5 1.615 -1.019 -15.468 35 HG23 THR 5 HG23 THR 5 1.689 -2.629 -16.185 36 H VAL 6 HN VAL 6 -0.978 -2.253 -14.989 37 HA VAL 6 HA VAL 6 -2.046 -4.920 -14.861 38 HB VAL 6 HB VAL 6 -2.807 -2.653 -16.716 39 HG11 VAL 6 HG11 VAL 6 -4.274 -5.185 -15.981 40 HG12 VAL 6 HG12 VAL 6 -3.569 -4.797 -17.551 41 HG13 VAL 6 HG13 VAL 6 -4.940 -3.864 -16.944 42 HG21 VAL 6 HG21 VAL 6 -4.641 -2.229 -15.149 43 HG22 VAL 6 HG22 VAL 6 -3.071 -2.017 -14.376 44 HG23 VAL 6 HG23 VAL 6 -4.012 -3.477 -14.077 45 H LYS 7 HN LYS 7 -1.319 -6.594 -16.024 46 HA LYS 7 HA LYS 7 0.312 -6.064 -18.386 47 HB2 LYS 7 HB2 LYS 7 0.211 -8.145 -16.395 48 HB3 LYS 7 HB1 LYS 7 0.091 -8.841 -18.003 49 HG2 LYS 7 HG2 LYS 7 2.279 -7.034 -16.996 50 HG3 LYS 7 HG1 LYS 7 2.393 -8.771 -17.274 51 HD2 LYS 7 HD2 LYS 7 3.329 -7.989 -19.215 52 HD3 LYS 7 HD1 LYS 7 1.640 -8.090 -19.711 53 HE2 LYS 7 HE2 LYS 7 2.551 -5.983 -20.440 54 HE3 LYS 7 HE1 LYS 7 1.381 -5.689 -19.154 55 HZ1 LYS 7 HZ1 LYS 7 3.218 -5.481 -17.584 56 HZ2 LYS 7 HZ2 LYS 7 3.363 -4.354 -18.844 57 HZ3 LYS 7 HZ3 LYS 7 4.332 -5.746 -18.838 58 H TRP 8 HN TRP 8 -2.183 -8.482 -17.622 59 HA TRP 8 HA TRP 8 -3.119 -8.214 -20.400 60 HB2 TRP 8 HB2 TRP 8 -3.415 -10.621 -18.589 61 HB3 TRP 8 HB1 TRP 8 -3.810 -10.534 -20.303 62 HD1 TRP 8 HD1 TRP 8 -1.107 -11.594 -18.049 63 HE1 TRP 8 HE1 TRP 8 1.086 -11.986 -19.346 64 HE3 TRP 8 HE3 TRP 8 -2.379 -9.364 -22.468 65 HZ2 TRP 8 HZ2 TRP 8 2.127 -11.424 -21.905 66 HZ3 TRP 8 HZ3 TRP 8 -0.728 -9.332 -24.291 67 HH2 TRP 8 HH2 TRP 8 1.480 -10.342 -24.012 68 H PHE 9 HN PHE 9 -5.150 -7.519 -20.691 69 HA PHE 9 HA PHE 9 -6.937 -7.520 -18.359 70 HB2 PHE 9 HB2 PHE 9 -5.955 -5.270 -18.800 71 HB3 PHE 9 HB1 PHE 9 -6.687 -5.303 -20.400 72 HD1 PHE 9 HD2 PHE 9 -7.687 -5.765 -16.835 73 HD2 PHE 9 HD1 PHE 9 -8.678 -4.210 -20.670 74 HE1 PHE 9 HE2 PHE 9 -9.746 -4.794 -15.903 75 HE2 PHE 9 HE1 PHE 9 -10.738 -3.230 -19.745 76 HZ PHE 9 HZ PHE 9 -11.273 -3.522 -17.359 77 H ASN 10 HN ASN 10 -8.092 -9.303 -19.055 78 HA ASN 10 HA ASN 10 -9.238 -9.268 -21.724 79 HB2 ASN 10 HB2 ASN 10 -9.471 -11.299 -19.494 80 HB3 ASN 10 HB1 ASN 10 -10.206 -11.478 -21.084 81 HD21 ASN 10 HD21 ASN 10 -8.884 -11.887 -22.874 82 HD22 ASN 10 HD22 ASN 10 -7.241 -12.404 -22.696 83 H ALA 11 HN ALA 11 -10.424 -7.349 -21.378 84 HA ALA 11 HA ALA 11 -12.428 -7.039 -19.415 85 HB1 ALA 11 HB1 ALA 11 -11.509 -5.154 -20.654 86 HB2 ALA 11 HB2 ALA 11 -13.262 -5.226 -20.831 87 HB3 ALA 11 HB3 ALA 11 -12.220 -5.774 -22.144 88 H GLU 12 HN GLU 12 -12.410 -8.542 -22.575 89 HA GLU 12 HA GLU 12 -15.258 -8.850 -22.720 90 HB2 GLU 12 HB2 GLU 12 -13.073 -10.252 -24.266 91 HB3 GLU 12 HB1 GLU 12 -14.786 -10.290 -24.657 92 HG2 GLU 12 HG2 GLU 12 -14.728 -7.843 -24.983 93 HG3 GLU 12 HG1 GLU 12 -12.989 -7.881 -24.693 94 H LYS 13 HN LYS 13 -12.897 -10.361 -20.911 95 HA LYS 13 HA LYS 13 -14.441 -12.855 -20.709 96 HB2 LYS 13 HB2 LYS 13 -11.592 -12.245 -19.916 97 HB3 LYS 13 HB1 LYS 13 -12.407 -13.763 -19.570 98 HG2 LYS 13 HG2 LYS 13 -11.949 -12.662 -22.334 99 HG3 LYS 13 HG1 LYS 13 -10.922 -13.856 -21.539 100 HD2 LYS 13 HD2 LYS 13 -12.884 -15.352 -21.339 101 HD3 LYS 13 HD1 LYS 13 -13.839 -14.172 -22.243 102 HE2 LYS 13 HE2 LYS 13 -12.395 -14.426 -24.164 103 HE3 LYS 13 HE1 LYS 13 -11.336 -15.506 -23.259 104 HZ1 LYS 13 HZ1 LYS 13 -13.196 -17.066 -23.064 105 HZ2 LYS 13 HZ2 LYS 13 -12.778 -16.771 -24.679 106 HZ3 LYS 13 HZ3 LYS 13 -14.157 -16.041 -24.017 107 H GLY 14 HN GLY 14 -13.309 -10.049 -19.007 108 HA2 GLY 14 HA2 GLY 14 -14.543 -9.140 -17.201 109 HA3 GLY 14 HA1 GLY 14 -15.130 -10.751 -16.822 110 H PHE 15 HN PHE 15 -11.748 -10.393 -17.444 111 HA PHE 15 HA PHE 15 -11.074 -9.903 -14.689 112 HB2 PHE 15 HB2 PHE 15 -9.824 -12.027 -14.384 113 HB3 PHE 15 HB1 PHE 15 -11.564 -12.249 -14.476 114 HD1 PHE 15 HD2 PHE 15 -8.414 -12.579 -16.392 115 HD2 PHE 15 HD1 PHE 15 -12.516 -13.660 -16.076 116 HE1 PHE 15 HE2 PHE 15 -8.093 -14.279 -18.139 117 HE2 PHE 15 HE1 PHE 15 -12.206 -15.368 -17.818 118 HZ PHE 15 HZ PHE 15 -9.990 -15.680 -18.854 119 H GLY 16 HN GLY 16 -8.677 -10.033 -14.339 120 HA2 GLY 16 HA2 GLY 16 -7.028 -9.810 -16.708 121 HA3 GLY 16 HA1 GLY 16 -7.286 -8.296 -15.852 122 H PHE 17 HN PHE 17 -4.766 -9.172 -16.108 123 HA PHE 17 HA PHE 17 -4.102 -10.238 -13.439 124 HB2 PHE 17 HB2 PHE 17 -2.570 -10.635 -16.019 125 HB3 PHE 17 HB1 PHE 17 -2.075 -11.224 -14.436 126 HD1 PHE 17 HD1 PHE 17 -3.486 -12.956 -13.288 127 HD2 PHE 17 HD2 PHE 17 -4.071 -11.853 -17.359 128 HE1 PHE 17 HE1 PHE 17 -4.741 -15.039 -13.669 129 HE2 PHE 17 HE2 PHE 17 -5.321 -13.936 -17.746 130 HZ PHE 17 HZ PHE 17 -5.659 -15.532 -15.901 131 H ILE 18 HN ILE 18 -3.188 -8.760 -12.202 132 HA ILE 18 HA ILE 18 -1.664 -6.578 -13.461 133 HB ILE 18 HB ILE 18 -2.726 -6.749 -10.634 134 HG12 ILE 18 HG12 ILE 18 -3.812 -5.219 -13.014 135 HG13 ILE 18 HG11 ILE 18 -4.548 -6.651 -12.300 136 HG21 ILE 18 HG21 ILE 18 -0.779 -5.317 -10.824 137 HG22 ILE 18 HG22 ILE 18 -2.226 -4.342 -10.565 138 HG23 ILE 18 HG23 ILE 18 -1.517 -4.456 -12.175 139 HD11 ILE 18 HD11 ILE 18 -4.148 -4.017 -10.900 140 HD12 ILE 18 HD12 ILE 18 -4.949 -5.446 -10.241 141 HD13 ILE 18 HD13 ILE 18 -5.659 -4.589 -11.610 142 H GLU 19 HN GLU 19 0.500 -6.529 -13.237 143 HA GLU 19 HA GLU 19 1.712 -8.807 -11.932 144 HB2 GLU 19 HB2 GLU 19 3.764 -8.108 -13.048 145 HB3 GLU 19 HB1 GLU 19 2.424 -8.174 -14.181 146 HG2 GLU 19 HG2 GLU 19 2.189 -5.683 -13.857 147 HG3 GLU 19 HG1 GLU 19 3.730 -5.743 -13.003 148 H ARG 20 HN ARG 20 2.693 -8.828 -10.056 149 HA ARG 20 HA ARG 20 3.437 -6.274 -8.796 150 HB2 ARG 20 HB2 ARG 20 1.667 -7.566 -7.613 151 HB3 ARG 20 HB1 ARG 20 2.778 -8.917 -7.463 152 HG2 ARG 20 HG2 ARG 20 4.002 -7.911 -5.820 153 HG3 ARG 20 HG1 ARG 20 3.611 -6.282 -6.372 154 HD2 ARG 20 HD2 ARG 20 2.551 -6.853 -4.216 155 HD3 ARG 20 HD1 ARG 20 1.384 -6.458 -5.473 156 HE ARG 20 HE ARG 20 1.429 -9.117 -5.654 157 HH11 ARG 20 HH11 ARG 20 1.282 -7.047 -2.817 158 HH12 ARG 20 HH12 ARG 20 0.335 -8.180 -1.887 159 HH21 ARG 20 HH21 ARG 20 0.181 -10.592 -4.451 160 HH22 ARG 20 HH22 ARG 20 -0.283 -10.199 -2.814 161 H GLU 21 HN GLU 21 5.400 -6.446 -7.378 162 HA GLU 21 HA GLU 21 7.555 -6.843 -9.009 163 HB2 GLU 21 HB2 GLU 21 7.619 -6.891 -5.993 164 HB3 GLU 21 HB1 GLU 21 8.959 -6.496 -7.059 165 HG2 GLU 21 HG2 GLU 21 6.416 -4.925 -6.719 166 HG3 GLU 21 HG1 GLU 21 8.020 -4.482 -6.135 167 H ASN 22 HN ASN 22 6.239 -9.200 -6.748 168 HA ASN 22 HA ASN 22 8.542 -10.941 -6.975 169 HB2 ASN 22 HB2 ASN 22 7.249 -10.685 -4.857 170 HB3 ASN 22 HB1 ASN 22 5.865 -11.431 -5.643 171 HD21 ASN 22 HD21 ASN 22 5.751 -13.160 -4.275 172 HD22 ASN 22 HD22 ASN 22 6.947 -14.410 -4.216 173 H GLY 23 HN GLY 23 6.518 -10.279 -9.268 174 HA2 GLY 23 HA2 GLY 23 5.728 -11.452 -11.110 175 HA3 GLY 23 HA1 GLY 23 6.387 -12.925 -10.403 176 H ASP 24 HN ASP 24 4.558 -11.197 -8.247 177 HA ASP 24 HA ASP 24 2.561 -13.239 -8.096 178 HB2 ASP 24 HB2 ASP 24 3.574 -12.090 -6.113 179 HB3 ASP 24 HB1 ASP 24 2.734 -10.621 -6.589 180 H ASP 25 HN ASP 25 1.448 -13.099 -10.036 181 HA ASP 25 HA ASP 25 0.247 -10.686 -10.944 182 HB2 ASP 25 HB2 ASP 25 -0.994 -12.112 -12.524 183 HB3 ASP 25 HB1 ASP 25 0.723 -12.485 -12.513 184 H VAL 26 HN VAL 26 -1.285 -9.653 -9.992 185 HA VAL 26 HA VAL 26 -3.085 -10.936 -8.128 186 HB VAL 26 HB VAL 26 -3.061 -8.047 -9.019 187 HG11 VAL 26 HG11 VAL 26 -4.173 -7.646 -6.866 188 HG12 VAL 26 HG12 VAL 26 -4.190 -9.384 -6.563 189 HG13 VAL 26 HG13 VAL 26 -5.113 -8.715 -7.911 190 HG21 VAL 26 HG21 VAL 26 -1.701 -7.578 -7.050 191 HG22 VAL 26 HG22 VAL 26 -0.865 -8.690 -8.135 192 HG23 VAL 26 HG23 VAL 26 -1.637 -9.299 -6.672 193 H PHE 27 HN PHE 27 -5.022 -11.679 -8.634 194 HA PHE 27 HA PHE 27 -5.943 -11.418 -11.371 195 HB2 PHE 27 HB2 PHE 27 -5.875 -13.612 -10.202 196 HB3 PHE 27 HB1 PHE 27 -7.086 -13.018 -9.075 197 HD1 PHE 27 HD2 PHE 27 -6.476 -13.879 -12.610 198 HD2 PHE 27 HD1 PHE 27 -9.378 -13.083 -9.602 199 HE1 PHE 27 HE2 PHE 27 -8.246 -14.695 -14.107 200 HE2 PHE 27 HE1 PHE 27 -11.153 -13.899 -11.095 201 HZ PHE 27 HZ PHE 27 -10.588 -14.706 -13.349 202 H VAL 28 HN VAL 28 -7.103 -9.652 -11.853 203 HA VAL 28 HA VAL 28 -8.973 -8.591 -9.863 204 HB VAL 28 HB VAL 28 -7.419 -7.014 -11.016 205 HG11 VAL 28 HG11 VAL 28 -7.363 -8.044 -13.217 206 HG12 VAL 28 HG12 VAL 28 -7.857 -6.355 -13.327 207 HG13 VAL 28 HG13 VAL 28 -9.061 -7.636 -13.463 208 HG21 VAL 28 HG21 VAL 28 -9.086 -5.293 -11.480 209 HG22 VAL 28 HG22 VAL 28 -9.491 -6.204 -10.026 210 HG23 VAL 28 HG23 VAL 28 -10.348 -6.525 -11.535 211 H HIS 29 HN HIS 29 -11.189 -8.293 -10.337 212 HA HIS 29 HA HIS 29 -12.178 -9.881 -12.596 213 HB2 HIS 29 HB2 HIS 29 -14.013 -10.738 -11.115 214 HB3 HIS 29 HB1 HIS 29 -12.412 -11.345 -10.723 215 HD1 HIS 29 HD1 HIS 29 -15.341 -10.105 -9.149 216 HD2 HIS 29 HD2 HIS 29 -11.260 -9.703 -8.443 217 HE1 HIS 29 HE1 HIS 29 -15.134 -9.381 -6.748 218 HE2 HIS 29 HE2 HIS 29 -12.655 -9.329 -6.290 219 H PHE 30 HN PHE 30 -14.351 -9.395 -13.269 220 HA PHE 30 HA PHE 30 -14.511 -6.691 -13.864 221 HB2 PHE 30 HB2 PHE 30 -16.651 -7.199 -14.947 222 HB3 PHE 30 HB1 PHE 30 -15.423 -8.397 -15.325 223 HD1 PHE 30 HD1 PHE 30 -15.542 -10.652 -14.312 224 HD2 PHE 30 HD2 PHE 30 -18.649 -7.786 -13.812 225 HE1 PHE 30 HE1 PHE 30 -17.079 -12.441 -13.621 226 HE2 PHE 30 HE2 PHE 30 -20.188 -9.573 -13.111 227 HZ PHE 30 HZ PHE 30 -19.404 -11.903 -13.015 228 H SER 31 HN SER 31 -16.077 -8.399 -11.231 229 HA SER 31 HA SER 31 -17.961 -6.300 -10.712 230 HB2 SER 31 HB2 SER 31 -17.046 -8.537 -8.891 231 HB3 SER 31 HB1 SER 31 -18.489 -7.545 -8.680 232 HG SER 31 HG SER 31 -19.093 -8.376 -10.850 233 H ALA 32 HN ALA 32 -14.688 -6.373 -10.383 234 HA ALA 32 HA ALA 32 -14.785 -4.392 -8.204 235 HB1 ALA 32 HB1 ALA 32 -13.692 -6.479 -7.476 236 HB2 ALA 32 HB2 ALA 32 -12.595 -5.099 -7.476 237 HB3 ALA 32 HB3 ALA 32 -12.512 -6.288 -8.774 238 H ILE 33 HN ILE 33 -14.053 -5.045 -11.423 239 HA ILE 33 HA ILE 33 -11.973 -3.098 -11.799 240 HB ILE 33 HB ILE 33 -13.779 -4.479 -13.796 241 HG12 ILE 33 HG12 ILE 33 -10.882 -4.987 -13.084 242 HG13 ILE 33 HG11 ILE 33 -12.238 -5.967 -12.539 243 HG21 ILE 33 HG21 ILE 33 -12.154 -3.746 -15.495 244 HG22 ILE 33 HG22 ILE 33 -11.329 -2.789 -14.265 245 HG23 ILE 33 HG23 ILE 33 -12.984 -2.394 -14.728 246 HD11 ILE 33 HD11 ILE 33 -11.360 -5.591 -15.393 247 HD12 ILE 33 HD12 ILE 33 -12.730 -6.565 -14.857 248 HD13 ILE 33 HD13 ILE 33 -11.089 -7.017 -14.394 249 H GLN 34 HN GLN 34 -12.168 -0.975 -12.339 250 HA GLN 34 HA GLN 34 -14.678 0.342 -12.182 251 HB2 GLN 34 HB2 GLN 34 -13.408 2.347 -12.998 252 HB3 GLN 34 HB1 GLN 34 -12.727 1.591 -11.566 253 HG2 GLN 34 HG2 GLN 34 -10.940 0.653 -12.796 254 HG3 GLN 34 HG1 GLN 34 -11.714 1.022 -14.336 255 HE21 GLN 34 HE21 GLN 34 -9.931 2.307 -11.637 256 HE22 GLN 34 HE22 GLN 34 -9.548 3.833 -12.362 257 H GLY 35 HN GLY 35 -16.210 0.111 -13.674 258 HA2 GLY 35 HA2 GLY 35 -15.489 0.464 -16.485 259 HA3 GLY 35 HA1 GLY 35 -16.266 -1.046 -16.038 260 H ASP 36 HN ASP 36 -16.818 2.376 -15.175 261 HA ASP 36 HA ASP 36 -19.668 2.061 -15.387 262 HB2 ASP 36 HB2 ASP 36 -18.202 4.698 -15.321 263 HB3 ASP 36 HB1 ASP 36 -19.846 4.363 -14.798 264 H GLY 37 HN GLY 37 -19.466 1.192 -17.630 265 HA2 GLY 37 HA2 GLY 37 -20.081 1.520 -19.829 266 HA3 GLY 37 HA1 GLY 37 -20.162 3.245 -19.509 267 H PHE 38 HN PHE 38 -18.035 4.380 -19.336 268 HA PHE 38 HA PHE 38 -16.325 3.365 -21.497 269 HB2 PHE 38 HB2 PHE 38 -15.686 5.765 -21.826 270 HB3 PHE 38 HB1 PHE 38 -17.385 5.419 -22.118 271 HD1 PHE 38 HD1 PHE 38 -19.099 6.276 -20.641 272 HD2 PHE 38 HD2 PHE 38 -14.986 7.122 -19.948 273 HE1 PHE 38 HE1 PHE 38 -19.735 8.077 -19.090 274 HE2 PHE 38 HE2 PHE 38 -15.616 8.921 -18.394 275 HZ PHE 38 HZ PHE 38 -17.992 9.401 -17.964 276 H LYS 39 HN LYS 39 -16.158 3.004 -18.449 277 HA LYS 39 HA LYS 39 -13.434 3.989 -18.045 278 HB2 LYS 39 HB2 LYS 39 -15.449 2.710 -16.217 279 HB3 LYS 39 HB1 LYS 39 -13.749 2.740 -15.783 280 HG2 LYS 39 HG2 LYS 39 -14.755 4.567 -14.694 281 HG3 LYS 39 HG1 LYS 39 -13.844 5.244 -16.043 282 HD2 LYS 39 HD2 LYS 39 -15.852 5.507 -17.337 283 HD3 LYS 39 HD1 LYS 39 -16.799 4.657 -16.115 284 HE2 LYS 39 HE2 LYS 39 -15.406 7.311 -15.785 285 HE3 LYS 39 HE1 LYS 39 -17.144 7.052 -15.929 286 HZ1 LYS 39 HZ1 LYS 39 -15.358 6.377 -13.675 287 HZ2 LYS 39 HZ2 LYS 39 -16.840 5.582 -13.862 288 HZ3 LYS 39 HZ3 LYS 39 -16.799 7.269 -13.659 289 H SER 40 HN SER 40 -11.674 2.700 -18.133 290 HA SER 40 HA SER 40 -11.871 -0.160 -18.019 291 HB2 SER 40 HB2 SER 40 -10.842 -0.427 -20.338 292 HB3 SER 40 HB1 SER 40 -12.548 0.020 -20.299 293 HG SER 40 HG SER 40 -10.464 1.345 -21.387 294 H LEU 41 HN LEU 41 -9.672 -1.155 -18.488 295 HA LEU 41 HA LEU 41 -7.567 0.661 -17.532 296 HB2 LEU 41 HB2 LEU 41 -7.961 -2.296 -17.132 297 HB3 LEU 41 HB1 LEU 41 -6.400 -1.538 -16.895 298 HG LEU 41 HG LEU 41 -7.393 -1.766 -14.754 299 HD11 LEU 41 HD11 LEU 41 -6.233 0.330 -15.074 300 HD12 LEU 41 HD12 LEU 41 -7.616 0.563 -14.002 301 HD13 LEU 41 HD13 LEU 41 -7.707 1.081 -15.686 302 HD21 LEU 41 HD21 LEU 41 -9.699 -2.110 -15.412 303 HD22 LEU 41 HD22 LEU 41 -9.840 -0.414 -15.871 304 HD23 LEU 41 HD23 LEU 41 -9.592 -0.851 -14.182 305 H ASP 42 HN ASP 42 -5.396 0.226 -18.348 306 HA ASP 42 HA ASP 42 -5.473 -0.733 -21.132 307 HB2 ASP 42 HB2 ASP 42 -5.260 1.753 -20.869 308 HB3 ASP 42 HB1 ASP 42 -3.753 1.491 -19.998 309 H GLU 43 HN GLU 43 -3.852 -2.130 -21.766 310 HA GLU 43 HA GLU 43 -2.362 -3.393 -19.684 311 HB2 GLU 43 HB2 GLU 43 -1.378 -4.776 -21.479 312 HB3 GLU 43 HB1 GLU 43 -3.132 -4.730 -21.547 313 HG2 GLU 43 HG2 GLU 43 -3.106 -3.283 -23.421 314 HG3 GLU 43 HG1 GLU 43 -1.375 -2.991 -23.253 315 H GLY 44 HN GLY 44 -0.536 -2.745 -18.843 316 HA2 GLY 44 HA2 GLY 44 1.739 -1.989 -19.019 317 HA3 GLY 44 HA1 GLY 44 1.281 -1.084 -20.457 318 H GLN 45 HN GLN 45 -1.128 -0.801 -18.201 319 HA GLN 45 HA GLN 45 -0.267 1.888 -17.499 320 HB2 GLN 45 HB2 GLN 45 -2.541 1.589 -18.355 321 HB3 GLN 45 HB1 GLN 45 -2.899 0.463 -17.054 322 HG2 GLN 45 HG2 GLN 45 -3.865 2.594 -16.539 323 HG3 GLN 45 HG1 GLN 45 -2.535 2.282 -15.424 324 HE21 GLN 45 HE21 GLN 45 -2.095 4.390 -14.953 325 HE22 GLN 45 HE22 GLN 45 -1.445 5.511 -16.106 326 H ALA 46 HN ALA 46 0.455 2.455 -15.550 327 HA ALA 46 HA ALA 46 0.648 0.535 -13.415 328 HB1 ALA 46 HB1 ALA 46 2.437 2.165 -13.769 329 HB2 ALA 46 HB2 ALA 46 1.724 2.348 -12.166 330 HB3 ALA 46 HB3 ALA 46 1.309 3.483 -13.451 331 H VAL 47 HN VAL 47 -0.657 0.329 -11.708 332 HA VAL 47 HA VAL 47 -2.757 2.335 -11.264 333 HB VAL 47 HB VAL 47 -4.445 0.539 -10.975 334 HG11 VAL 47 HG11 VAL 47 -4.820 0.120 -13.369 335 HG12 VAL 47 HG12 VAL 47 -3.194 0.717 -13.711 336 HG13 VAL 47 HG13 VAL 47 -4.410 1.801 -13.031 337 HG21 VAL 47 HG21 VAL 47 -4.031 -1.681 -11.897 338 HG22 VAL 47 HG22 VAL 47 -2.927 -1.332 -10.569 339 HG23 VAL 47 HG23 VAL 47 -2.358 -1.239 -12.234 340 H THR 48 HN THR 48 -3.678 2.328 -9.189 341 HA THR 48 HA THR 48 -2.203 0.761 -7.177 342 HB THR 48 HB THR 48 -3.075 2.581 -5.578 343 HG1 THR 48 HG1 THR 48 -4.476 3.462 -7.356 344 HG21 THR 48 HG21 THR 48 -1.009 3.258 -7.672 345 HG22 THR 48 HG22 THR 48 -0.731 2.388 -6.163 346 HG23 THR 48 HG23 THR 48 -1.195 4.089 -6.132 347 H PHE 49 HN PHE 49 -3.339 -0.865 -6.423 348 HA PHE 49 HA PHE 49 -6.281 -0.649 -6.428 349 HB2 PHE 49 HB2 PHE 49 -6.267 -3.115 -6.926 350 HB3 PHE 49 HB1 PHE 49 -5.622 -2.113 -8.223 351 HD1 PHE 49 HD1 PHE 49 -4.783 -4.507 -5.577 352 HD2 PHE 49 HD2 PHE 49 -3.299 -2.222 -8.840 353 HE1 PHE 49 HE1 PHE 49 -2.715 -5.836 -5.559 354 HE2 PHE 49 HE2 PHE 49 -1.223 -3.540 -8.822 355 HZ PHE 49 HZ PHE 49 -0.930 -5.351 -7.184 356 H ASP 50 HN ASP 50 -7.367 -2.069 -4.837 357 HA ASP 50 HA ASP 50 -5.722 -2.376 -2.436 358 HB2 ASP 50 HB2 ASP 50 -7.954 -1.297 -2.219 359 HB3 ASP 50 HB1 ASP 50 -8.701 -2.807 -2.737 360 H VAL 51 HN VAL 51 -4.789 -4.231 -2.007 361 HA VAL 51 HA VAL 51 -5.378 -6.521 -3.633 362 HB VAL 51 HB VAL 51 -3.066 -6.077 -3.178 363 HG11 VAL 51 HG11 VAL 51 -3.261 -4.896 -1.063 364 HG12 VAL 51 HG12 VAL 51 -2.094 -6.211 -0.931 365 HG13 VAL 51 HG13 VAL 51 -3.709 -6.395 -0.246 366 HG21 VAL 51 HG21 VAL 51 -3.690 -8.419 -3.426 367 HG22 VAL 51 HG22 VAL 51 -3.956 -8.545 -1.686 368 HG23 VAL 51 HG23 VAL 51 -2.334 -8.247 -2.312 369 H GLU 52 HN GLU 52 -7.091 -7.676 -3.212 370 HA GLU 52 HA GLU 52 -7.887 -8.242 -0.464 371 HB2 GLU 52 HB2 GLU 52 -9.630 -7.640 -2.106 372 HB3 GLU 52 HB1 GLU 52 -9.153 -8.998 -3.114 373 HG2 GLU 52 HG2 GLU 52 -11.112 -9.634 -1.958 374 HG3 GLU 52 HG1 GLU 52 -9.770 -10.512 -1.226 375 H GLU 53 HN GLU 53 -7.103 -10.005 0.521 376 HA GLU 53 HA GLU 53 -6.057 -12.158 -1.185 377 HB2 GLU 53 HB2 GLU 53 -4.686 -12.821 0.765 378 HB3 GLU 53 HB1 GLU 53 -4.339 -11.191 0.209 379 HG2 GLU 53 HG2 GLU 53 -5.625 -10.260 2.029 380 HG3 GLU 53 HG1 GLU 53 -6.086 -11.876 2.562 381 H GLY 54 HN GLY 54 -7.092 -14.027 -1.222 382 HA2 GLY 54 HA2 GLY 54 -8.629 -14.871 1.124 383 HA3 GLY 54 HA1 GLY 54 -9.503 -14.671 -0.388 384 H GLN 55 HN GLN 55 -10.038 -16.746 -0.792 385 HA GLN 55 HA GLN 55 -8.171 -18.912 -0.456 386 HB2 GLN 55 HB2 GLN 55 -10.950 -18.774 -1.639 387 HB3 GLN 55 HB1 GLN 55 -10.022 -20.261 -1.511 388 HG2 GLN 55 HG2 GLN 55 -10.775 -18.532 0.830 389 HG3 GLN 55 HG1 GLN 55 -11.687 -19.942 0.291 390 HE21 GLN 55 HE21 GLN 55 -10.830 -21.993 0.591 391 HE22 GLN 55 HE22 GLN 55 -9.500 -22.288 1.662 392 H ARG 56 HN ARG 56 -9.196 -16.806 -3.001 393 HA ARG 56 HA ARG 56 -8.088 -18.490 -5.098 394 HB2 ARG 56 HB2 ARG 56 -9.092 -15.653 -5.363 395 HB3 ARG 56 HB1 ARG 56 -8.893 -16.841 -6.642 396 HG2 ARG 56 HG2 ARG 56 -10.926 -16.904 -4.423 397 HG3 ARG 56 HG1 ARG 56 -11.222 -16.598 -6.134 398 HD2 ARG 56 HD2 ARG 56 -10.085 -19.164 -5.039 399 HD3 ARG 56 HD1 ARG 56 -11.794 -18.909 -5.385 400 HE ARG 56 HE ARG 56 -10.797 -18.352 -7.753 401 HH11 ARG 56 HH11 ARG 56 -9.863 -20.916 -5.551 402 HH12 ARG 56 HH12 ARG 56 -9.378 -21.993 -6.825 403 HH21 ARG 56 HH21 ARG 56 -10.207 -19.778 -9.420 404 HH22 ARG 56 HH22 ARG 56 -9.587 -21.355 -9.026 405 H GLY 57 HN GLY 57 -6.711 -16.731 -2.806 406 HA2 GLY 57 HA2 GLY 57 -4.449 -16.149 -2.663 407 HA3 GLY 57 HA1 GLY 57 -4.357 -16.162 -4.420 408 HA PRO 58 HA PRO 58 -4.580 -11.729 -3.537 409 HB2 PRO 58 HB2 PRO 58 -2.889 -10.934 -5.462 410 HB3 PRO 58 HB1 PRO 58 -2.308 -11.637 -3.949 411 HG2 PRO 58 HG2 PRO 58 -2.516 -12.868 -6.652 412 HG3 PRO 58 HG1 PRO 58 -1.294 -13.116 -5.393 413 HD2 PRO 58 HD2 PRO 58 -3.463 -14.799 -5.932 414 HD3 PRO 58 HD1 PRO 58 -2.475 -14.814 -4.459 415 H GLN 59 HN GLN 59 -6.644 -11.246 -4.182 416 HA GLN 59 HA GLN 59 -7.075 -10.995 -7.082 417 HB2 GLN 59 HB2 GLN 59 -9.539 -11.016 -6.471 418 HB3 GLN 59 HB1 GLN 59 -8.675 -12.534 -6.281 419 HG2 GLN 59 HG2 GLN 59 -8.421 -11.961 -3.852 420 HG3 GLN 59 HG1 GLN 59 -9.543 -10.629 -4.128 421 HE21 GLN 59 HE21 GLN 59 -11.709 -11.084 -4.545 422 HE22 GLN 59 HE22 GLN 59 -12.393 -12.655 -4.273 423 H ALA 60 HN ALA 60 -7.705 -9.070 -7.913 424 HA ALA 60 HA ALA 60 -7.047 -6.818 -6.208 425 HB1 ALA 60 HB1 ALA 60 -6.961 -5.521 -8.267 426 HB2 ALA 60 HB2 ALA 60 -7.589 -6.902 -9.171 427 HB3 ALA 60 HB3 ALA 60 -6.002 -6.996 -8.404 428 H ALA 61 HN ALA 61 -8.437 -5.503 -5.315 429 HA ALA 61 HA ALA 61 -11.066 -5.115 -6.568 430 HB1 ALA 61 HB1 ALA 61 -10.502 -5.345 -3.611 431 HB2 ALA 61 HB2 ALA 61 -11.415 -6.488 -4.597 432 HB3 ALA 61 HB3 ALA 61 -12.047 -4.866 -4.314 433 H ASN 62 HN ASN 62 -11.822 -2.989 -6.527 434 HA ASN 62 HA ASN 62 -11.626 -0.733 -6.659 435 HB2 ASN 62 HB2 ASN 62 -9.920 -1.055 -4.177 436 HB3 ASN 62 HB1 ASN 62 -10.571 0.466 -4.774 437 HD21 ASN 62 HD21 ASN 62 -11.227 -2.468 -3.115 438 HD22 ASN 62 HD22 ASN 62 -12.844 -2.086 -2.619 439 H VAL 63 HN VAL 63 -10.539 -0.720 -8.596 440 HA VAL 63 HA VAL 63 -7.595 -0.620 -8.478 441 HB VAL 63 HB VAL 63 -9.362 -1.062 -10.895 442 HG11 VAL 63 HG11 VAL 63 -6.373 -1.325 -10.566 443 HG12 VAL 63 HG12 VAL 63 -7.212 -0.039 -11.435 444 HG13 VAL 63 HG13 VAL 63 -7.289 -1.700 -12.027 445 HG21 VAL 63 HG21 VAL 63 -8.632 -3.393 -10.794 446 HG22 VAL 63 HG22 VAL 63 -9.507 -2.935 -9.332 447 HG23 VAL 63 HG23 VAL 63 -7.748 -3.055 -9.306 448 H GLN 64 HN GLN 64 -6.863 1.383 -8.367 449 HA GLN 64 HA GLN 64 -8.290 3.518 -9.805 450 HB2 GLN 64 HB2 GLN 64 -6.305 3.717 -7.529 451 HB3 GLN 64 HB1 GLN 64 -7.150 5.066 -8.277 452 HG2 GLN 64 HG2 GLN 64 -9.258 4.281 -7.456 453 HG3 GLN 64 HG1 GLN 64 -8.519 2.797 -6.856 454 HE21 GLN 64 HE21 GLN 64 -6.989 5.929 -6.582 455 HE22 GLN 64 HE22 GLN 64 -7.151 6.059 -4.861 456 H LYS 65 HN LYS 65 -7.169 4.836 -11.246 457 HA LYS 65 HA LYS 65 -4.772 3.676 -12.351 458 HB2 LYS 65 HB2 LYS 65 -6.164 6.254 -13.095 459 HB3 LYS 65 HB1 LYS 65 -4.869 5.492 -14.003 460 HG2 LYS 65 HG2 LYS 65 -6.458 3.470 -14.165 461 HG3 LYS 65 HG1 LYS 65 -7.716 4.618 -13.695 462 HD2 LYS 65 HD2 LYS 65 -6.989 6.080 -15.577 463 HD3 LYS 65 HD1 LYS 65 -5.886 4.804 -16.085 464 HE2 LYS 65 HE2 LYS 65 -7.801 4.574 -17.432 465 HE3 LYS 65 HE1 LYS 65 -7.906 3.293 -16.226 466 HZ1 LYS 65 HZ1 LYS 65 -9.252 5.880 -15.770 467 HZ2 LYS 65 HZ2 LYS 65 -9.633 4.348 -15.132 468 HZ3 LYS 65 HZ3 LYS 65 -9.979 4.702 -16.752 469 H ALA 66 HN ALA 66 -2.704 4.522 -12.358 470 HA ALA 66 HA ALA 66 -2.126 6.391 -10.207 471 HB1 ALA 66 HB1 ALA 66 -0.799 4.326 -10.408 472 HB2 ALA 66 HB2 ALA 66 0.196 5.779 -10.522 473 HB3 ALA 66 HB3 ALA 66 -0.215 4.873 -11.979 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -1.313 -0.022 -1.407 2 H2 MET 1 HT2 MET 1 -0.476 1.330 -1.998 3 H3 MET 1 HT3 MET 1 -0.843 1.217 -0.346 4 HA MET 1 HA MET 1 1.482 0.734 -0.781 5 HB2 MET 1 HB2 MET 1 0.373 -0.307 1.132 6 HB3 MET 1 HB1 MET 1 -0.165 -1.636 0.117 7 HG2 MET 1 HG2 MET 1 1.719 -2.328 1.438 8 HG3 MET 1 HG1 MET 1 2.174 -2.272 -0.266 9 HE1 MET 1 HE1 MET 1 1.750 0.677 2.307 10 HE2 MET 1 HE2 MET 1 3.407 0.879 2.871 11 HE3 MET 1 HE3 MET 1 2.516 -0.599 3.250 12 H GLU 2 HN GLU 2 -0.757 -1.441 -2.462 13 HA GLU 2 HA GLU 2 1.436 -2.795 -3.780 14 HB2 GLU 2 HB2 GLU 2 -1.555 -3.104 -3.965 15 HB3 GLU 2 HB1 GLU 2 -0.451 -3.984 -5.009 16 HG2 GLU 2 HG2 GLU 2 -1.073 -5.418 -3.226 17 HG3 GLU 2 HG1 GLU 2 0.604 -4.945 -2.972 18 H GLN 3 HN GLN 3 2.456 -1.451 -5.156 19 HA GLN 3 HA GLN 3 0.906 -0.186 -7.289 20 HB2 GLN 3 HB2 GLN 3 3.851 -0.056 -6.612 21 HB3 GLN 3 HB1 GLN 3 3.123 0.735 -8.001 22 HG2 GLN 3 HG2 GLN 3 1.738 2.081 -6.498 23 HG3 GLN 3 HG1 GLN 3 2.503 1.301 -5.112 24 HE21 GLN 3 HE21 GLN 3 3.336 3.243 -4.339 25 HE22 GLN 3 HE22 GLN 3 4.660 4.050 -5.112 26 H GLY 4 HN GLY 4 0.616 -1.213 -9.145 27 HA2 GLY 4 HA2 GLY 4 2.665 -3.132 -10.034 28 HA3 GLY 4 HA1 GLY 4 0.979 -3.636 -9.971 29 H THR 5 HN THR 5 1.975 -3.894 -12.372 30 HA THR 5 HA THR 5 0.943 -1.529 -13.795 31 HB THR 5 HB THR 5 3.105 -3.346 -14.869 32 HG1 THR 5 HG1 THR 5 3.559 -1.893 -12.912 33 HG21 THR 5 HG21 THR 5 3.462 -1.396 -16.396 34 HG22 THR 5 HG22 THR 5 1.994 -0.675 -15.736 35 HG23 THR 5 HG23 THR 5 1.912 -2.207 -16.612 36 H VAL 6 HN VAL 6 -0.680 -1.911 -15.179 37 HA VAL 6 HA VAL 6 -1.777 -4.544 -15.389 38 HB VAL 6 HB VAL 6 -2.520 -2.061 -16.958 39 HG11 VAL 6 HG11 VAL 6 -4.018 -4.640 -16.498 40 HG12 VAL 6 HG12 VAL 6 -3.329 -4.082 -18.024 41 HG13 VAL 6 HG13 VAL 6 -4.675 -3.208 -17.289 42 HG21 VAL 6 HG21 VAL 6 -4.323 -1.799 -15.318 43 HG22 VAL 6 HG22 VAL 6 -2.735 -1.690 -14.560 44 HG23 VAL 6 HG23 VAL 6 -3.686 -3.167 -14.402 45 H LYS 7 HN LYS 7 -0.740 -6.025 -16.572 46 HA LYS 7 HA LYS 7 0.792 -5.387 -18.897 47 HB2 LYS 7 HB2 LYS 7 0.245 -7.738 -17.280 48 HB3 LYS 7 HB1 LYS 7 0.236 -8.116 -18.995 49 HG2 LYS 7 HG2 LYS 7 2.477 -6.803 -17.474 50 HG3 LYS 7 HG1 LYS 7 2.435 -8.466 -18.060 51 HD2 LYS 7 HD2 LYS 7 2.182 -7.535 -20.384 52 HD3 LYS 7 HD1 LYS 7 2.493 -5.939 -19.705 53 HE2 LYS 7 HE2 LYS 7 4.361 -8.302 -19.560 54 HE3 LYS 7 HE1 LYS 7 4.505 -6.955 -20.685 55 HZ1 LYS 7 HZ1 LYS 7 4.789 -5.466 -18.793 56 HZ2 LYS 7 HZ2 LYS 7 5.973 -6.681 -18.798 57 HZ3 LYS 7 HZ3 LYS 7 4.669 -6.777 -17.721 58 H TRP 8 HN TRP 8 -2.307 -7.007 -18.341 59 HA TRP 8 HA TRP 8 -3.448 -5.879 -20.692 60 HB2 TRP 8 HB2 TRP 8 -3.995 -8.087 -21.775 61 HB3 TRP 8 HB1 TRP 8 -2.302 -7.623 -21.877 62 HD1 TRP 8 HD1 TRP 8 -4.572 -10.005 -19.832 63 HE1 TRP 8 HE1 TRP 8 -3.148 -12.013 -19.090 64 HE3 TRP 8 HE3 TRP 8 -0.025 -8.471 -21.589 65 HZ2 TRP 8 HZ2 TRP 8 -0.457 -12.845 -19.230 66 HZ3 TRP 8 HZ3 TRP 8 1.924 -9.933 -21.250 67 HH2 TRP 8 HH2 TRP 8 1.711 -12.076 -20.093 68 H PHE 9 HN PHE 9 -5.723 -6.443 -20.915 69 HA PHE 9 HA PHE 9 -6.868 -7.730 -18.537 70 HB2 PHE 9 HB2 PHE 9 -6.997 -5.326 -18.114 71 HB3 PHE 9 HB1 PHE 9 -7.759 -5.070 -19.680 72 HD1 PHE 9 HD2 PHE 9 -8.264 -7.043 -16.553 73 HD2 PHE 9 HD1 PHE 9 -10.050 -4.882 -19.754 74 HE1 PHE 9 HE2 PHE 9 -10.476 -7.358 -15.528 75 HE2 PHE 9 HE1 PHE 9 -12.266 -5.192 -18.731 76 HZ PHE 9 HZ PHE 9 -12.480 -6.432 -16.615 77 H ASN 10 HN ASN 10 -7.790 -9.471 -19.381 78 HA ASN 10 HA ASN 10 -8.893 -9.497 -22.030 79 HB2 ASN 10 HB2 ASN 10 -8.963 -11.565 -19.818 80 HB3 ASN 10 HB1 ASN 10 -9.548 -11.835 -21.457 81 HD21 ASN 10 HD21 ASN 10 -7.377 -13.079 -19.867 82 HD22 ASN 10 HD22 ASN 10 -5.962 -12.954 -20.857 83 H ALA 11 HN ALA 11 -10.467 -7.898 -21.920 84 HA ALA 11 HA ALA 11 -12.486 -7.710 -19.979 85 HB1 ALA 11 HB1 ALA 11 -11.883 -5.864 -21.461 86 HB2 ALA 11 HB2 ALA 11 -13.611 -6.214 -21.544 87 HB3 ALA 11 HB3 ALA 11 -12.535 -6.750 -22.837 88 H GLU 12 HN GLU 12 -12.346 -9.441 -23.046 89 HA GLU 12 HA GLU 12 -15.101 -10.193 -23.026 90 HB2 GLU 12 HB2 GLU 12 -12.747 -11.332 -24.538 91 HB3 GLU 12 HB1 GLU 12 -14.426 -11.773 -24.827 92 HG2 GLU 12 HG2 GLU 12 -14.952 -9.523 -25.493 93 HG3 GLU 12 HG1 GLU 12 -13.327 -8.986 -25.072 94 H LYS 13 HN LYS 13 -12.393 -11.278 -21.307 95 HA LYS 13 HA LYS 13 -13.631 -13.881 -20.762 96 HB2 LYS 13 HB2 LYS 13 -10.887 -12.833 -20.040 97 HB3 LYS 13 HB1 LYS 13 -11.488 -14.439 -19.647 98 HG2 LYS 13 HG2 LYS 13 -11.094 -13.341 -22.424 99 HG3 LYS 13 HG1 LYS 13 -10.025 -14.474 -21.596 100 HD2 LYS 13 HD2 LYS 13 -12.932 -15.013 -22.197 101 HD3 LYS 13 HD1 LYS 13 -11.595 -15.539 -23.222 102 HE2 LYS 13 HE2 LYS 13 -10.688 -16.858 -21.388 103 HE3 LYS 13 HE1 LYS 13 -11.981 -16.298 -20.326 104 HZ1 LYS 13 HZ1 LYS 13 -13.590 -17.438 -21.636 105 HZ2 LYS 13 HZ2 LYS 13 -12.348 -18.541 -21.288 106 HZ3 LYS 13 HZ3 LYS 13 -12.447 -17.827 -22.829 107 H GLY 14 HN GLY 14 -12.878 -10.785 -19.362 108 HA2 GLY 14 HA2 GLY 14 -14.283 -9.911 -17.643 109 HA3 GLY 14 HA1 GLY 14 -14.536 -11.549 -17.063 110 H PHE 15 HN PHE 15 -11.279 -11.019 -17.778 111 HA PHE 15 HA PHE 15 -10.622 -10.035 -15.134 112 HB2 PHE 15 HB2 PHE 15 -9.260 -12.041 -14.553 113 HB3 PHE 15 HB1 PHE 15 -10.991 -12.343 -14.577 114 HD1 PHE 15 HD2 PHE 15 -7.817 -12.927 -16.348 115 HD2 PHE 15 HD1 PHE 15 -11.957 -13.884 -16.097 116 HE1 PHE 15 HE2 PHE 15 -7.463 -14.840 -17.851 117 HE2 PHE 15 HE1 PHE 15 -11.607 -15.799 -17.597 118 HZ PHE 15 HZ PHE 15 -9.359 -16.280 -18.475 119 H GLY 16 HN GLY 16 -8.404 -9.606 -14.819 120 HA2 GLY 16 HA2 GLY 16 -6.742 -9.705 -17.248 121 HA3 GLY 16 HA1 GLY 16 -6.954 -8.184 -16.390 122 H PHE 17 HN PHE 17 -4.439 -8.777 -16.542 123 HA PHE 17 HA PHE 17 -3.803 -9.961 -13.932 124 HB2 PHE 17 HB2 PHE 17 -2.345 -10.504 -16.525 125 HB3 PHE 17 HB1 PHE 17 -1.758 -10.976 -14.934 126 HD1 PHE 17 HD1 PHE 17 -3.359 -12.445 -13.515 127 HD2 PHE 17 HD2 PHE 17 -3.666 -11.965 -17.732 128 HE1 PHE 17 HE1 PHE 17 -4.643 -14.537 -13.657 129 HE2 PHE 17 HE2 PHE 17 -4.949 -14.057 -17.879 130 HZ PHE 17 HZ PHE 17 -5.438 -15.346 -15.841 131 H ILE 18 HN ILE 18 -2.740 -8.640 -12.696 132 HA ILE 18 HA ILE 18 -1.170 -6.456 -13.904 133 HB ILE 18 HB ILE 18 -2.204 -6.693 -11.065 134 HG12 ILE 18 HG12 ILE 18 -3.209 -4.948 -13.325 135 HG13 ILE 18 HG11 ILE 18 -4.002 -6.423 -12.780 136 HG21 ILE 18 HG21 ILE 18 -1.562 -4.335 -10.882 137 HG22 ILE 18 HG22 ILE 18 -0.916 -4.385 -12.522 138 HG23 ILE 18 HG23 ILE 18 -0.173 -5.356 -11.251 139 HD11 ILE 18 HD11 ILE 18 -5.125 -4.521 -11.842 140 HD12 ILE 18 HD12 ILE 18 -3.608 -3.891 -11.197 141 HD13 ILE 18 HD13 ILE 18 -4.291 -5.385 -10.549 142 H GLU 19 HN GLU 19 1.005 -6.497 -13.669 143 HA GLU 19 HA GLU 19 2.123 -8.897 -12.545 144 HB2 GLU 19 HB2 GLU 19 4.283 -7.973 -13.423 145 HB3 GLU 19 HB1 GLU 19 3.023 -8.212 -14.626 146 HG2 GLU 19 HG2 GLU 19 2.496 -5.808 -14.499 147 HG3 GLU 19 HG1 GLU 19 3.834 -5.600 -13.369 148 H ARG 20 HN ARG 20 3.338 -9.162 -10.804 149 HA ARG 20 HA ARG 20 3.866 -6.842 -9.068 150 HB2 ARG 20 HB2 ARG 20 2.426 -8.769 -8.217 151 HB3 ARG 20 HB1 ARG 20 3.870 -9.765 -8.284 152 HG2 ARG 20 HG2 ARG 20 3.651 -9.078 -6.047 153 HG3 ARG 20 HG1 ARG 20 4.948 -8.095 -6.726 154 HD2 ARG 20 HD2 ARG 20 3.229 -6.311 -7.151 155 HD3 ARG 20 HD1 ARG 20 2.094 -7.283 -6.217 156 HE ARG 20 HE ARG 20 4.506 -5.951 -5.183 157 HH11 ARG 20 HH11 ARG 20 1.562 -7.761 -4.581 158 HH12 ARG 20 HH12 ARG 20 1.459 -7.298 -2.909 159 HH21 ARG 20 HH21 ARG 20 4.355 -5.300 -2.997 160 HH22 ARG 20 HH22 ARG 20 3.032 -5.864 -2.018 161 H GLU 21 HN GLU 21 5.948 -7.058 -7.789 162 HA GLU 21 HA GLU 21 8.207 -7.066 -9.272 163 HB2 GLU 21 HB2 GLU 21 8.041 -8.053 -6.419 164 HB3 GLU 21 HB1 GLU 21 9.499 -7.500 -7.223 165 HG2 GLU 21 HG2 GLU 21 8.852 -5.694 -5.928 166 HG3 GLU 21 HG1 GLU 21 8.265 -5.285 -7.538 167 H ASN 22 HN ASN 22 6.936 -9.927 -7.595 168 HA ASN 22 HA ASN 22 9.130 -11.609 -8.286 169 HB2 ASN 22 HB2 ASN 22 6.349 -12.366 -7.363 170 HB3 ASN 22 HB1 ASN 22 7.733 -13.449 -7.424 171 HD21 ASN 22 HD21 ASN 22 6.118 -12.782 -5.157 172 HD22 ASN 22 HD22 ASN 22 7.169 -12.050 -3.992 173 H GLY 23 HN GLY 23 6.745 -10.399 -10.236 174 HA2 GLY 23 HA2 GLY 23 6.152 -11.065 -12.408 175 HA3 GLY 23 HA1 GLY 23 6.880 -12.643 -12.104 176 H ASP 24 HN ASP 24 5.063 -11.695 -9.529 177 HA ASP 24 HA ASP 24 3.126 -13.735 -9.887 178 HB2 ASP 24 HB2 ASP 24 4.073 -12.909 -7.681 179 HB3 ASP 24 HB1 ASP 24 3.037 -11.497 -7.858 180 H ASP 25 HN ASP 25 1.986 -13.296 -11.729 181 HA ASP 25 HA ASP 25 0.665 -10.868 -12.267 182 HB2 ASP 25 HB2 ASP 25 -0.680 -12.204 -13.882 183 HB3 ASP 25 HB1 ASP 25 1.055 -12.433 -14.057 184 H VAL 26 HN VAL 26 -0.612 -10.018 -10.793 185 HA VAL 26 HA VAL 26 -2.259 -11.528 -9.030 186 HB VAL 26 HB VAL 26 -2.425 -8.570 -9.647 187 HG11 VAL 26 HG11 VAL 26 -3.407 -8.393 -7.414 188 HG12 VAL 26 HG12 VAL 26 -3.313 -10.144 -7.231 189 HG13 VAL 26 HG13 VAL 26 -4.370 -9.441 -8.455 190 HG21 VAL 26 HG21 VAL 26 -0.953 -8.261 -7.706 191 HG22 VAL 26 HG22 VAL 26 -0.159 -9.172 -8.991 192 HG23 VAL 26 HG23 VAL 26 -0.777 -10.012 -7.567 193 H PHE 27 HN PHE 27 -4.310 -12.167 -9.243 194 HA PHE 27 HA PHE 27 -5.586 -11.908 -11.808 195 HB2 PHE 27 HB2 PHE 27 -5.592 -14.017 -10.472 196 HB3 PHE 27 HB1 PHE 27 -6.598 -13.215 -9.272 197 HD1 PHE 27 HD2 PHE 27 -6.478 -14.516 -12.706 198 HD2 PHE 27 HD1 PHE 27 -8.934 -12.911 -9.624 199 HE1 PHE 27 HE2 PHE 27 -8.484 -15.207 -13.950 200 HE2 PHE 27 HE1 PHE 27 -10.945 -13.601 -10.862 201 HZ PHE 27 HZ PHE 27 -10.721 -14.751 -13.029 202 H VAL 28 HN VAL 28 -6.595 -10.039 -12.262 203 HA VAL 28 HA VAL 28 -8.222 -8.816 -10.131 204 HB VAL 28 HB VAL 28 -6.368 -7.398 -11.032 205 HG11 VAL 28 HG11 VAL 28 -6.372 -8.110 -13.344 206 HG12 VAL 28 HG12 VAL 28 -6.630 -6.368 -13.242 207 HG13 VAL 28 HG13 VAL 28 -7.988 -7.444 -13.569 208 HG21 VAL 28 HG21 VAL 28 -8.334 -6.412 -9.980 209 HG22 VAL 28 HG22 VAL 28 -9.147 -6.357 -11.545 210 HG23 VAL 28 HG23 VAL 28 -7.705 -5.380 -11.265 211 H HIS 29 HN HIS 29 -10.370 -8.279 -10.561 212 HA HIS 29 HA HIS 29 -11.423 -9.234 -13.124 213 HB2 HIS 29 HB2 HIS 29 -13.354 -10.271 -11.971 214 HB3 HIS 29 HB1 HIS 29 -11.828 -11.040 -11.568 215 HD1 HIS 29 HD1 HIS 29 -14.843 -9.952 -10.039 216 HD2 HIS 29 HD2 HIS 29 -10.836 -9.928 -8.908 217 HE1 HIS 29 HE1 HIS 29 -14.843 -9.766 -7.530 218 HE2 HIS 29 HE2 HIS 29 -12.419 -9.691 -6.863 219 H PHE 30 HN PHE 30 -13.327 -8.275 -13.857 220 HA PHE 30 HA PHE 30 -13.254 -5.498 -13.569 221 HB2 PHE 30 HB2 PHE 30 -15.152 -5.432 -15.075 222 HB3 PHE 30 HB1 PHE 30 -14.025 -6.674 -15.603 223 HD1 PHE 30 HD1 PHE 30 -14.567 -9.084 -15.141 224 HD2 PHE 30 HD2 PHE 30 -17.380 -5.947 -14.551 225 HE1 PHE 30 HE1 PHE 30 -16.399 -10.725 -15.171 226 HE2 PHE 30 HE2 PHE 30 -19.215 -7.583 -14.576 227 HZ PHE 30 HZ PHE 30 -18.726 -9.976 -14.886 228 H SER 31 HN SER 31 -15.181 -7.851 -11.879 229 HA SER 31 HA SER 31 -17.094 -5.946 -10.916 230 HB2 SER 31 HB2 SER 31 -17.534 -8.016 -9.318 231 HB3 SER 31 HB1 SER 31 -18.044 -8.033 -11.008 232 HG SER 31 HG SER 31 -16.946 -9.874 -10.877 233 H ALA 32 HN ALA 32 -13.955 -6.161 -10.251 234 HA ALA 32 HA ALA 32 -14.352 -5.115 -7.527 235 HB1 ALA 32 HB1 ALA 32 -12.204 -6.047 -6.861 236 HB2 ALA 32 HB2 ALA 32 -12.006 -6.756 -8.464 237 HB3 ALA 32 HB3 ALA 32 -13.299 -7.318 -7.403 238 H ILE 33 HN ILE 33 -13.094 -4.690 -10.663 239 HA ILE 33 HA ILE 33 -11.220 -2.603 -9.989 240 HB ILE 33 HB ILE 33 -12.440 -3.148 -12.702 241 HG12 ILE 33 HG12 ILE 33 -9.943 -4.369 -11.513 242 HG13 ILE 33 HG11 ILE 33 -11.478 -5.213 -11.700 243 HG21 ILE 33 HG21 ILE 33 -10.359 -2.179 -13.545 244 HG22 ILE 33 HG22 ILE 33 -9.800 -1.927 -11.891 245 HG23 ILE 33 HG23 ILE 33 -11.203 -1.044 -12.492 246 HD11 ILE 33 HD11 ILE 33 -9.931 -5.801 -13.470 247 HD12 ILE 33 HD12 ILE 33 -9.786 -4.102 -13.923 248 HD13 ILE 33 HD13 ILE 33 -11.326 -4.938 -14.119 249 H GLN 34 HN GLN 34 -11.515 -0.359 -10.792 250 HA GLN 34 HA GLN 34 -14.194 0.606 -10.209 251 HB2 GLN 34 HB2 GLN 34 -13.179 2.827 -10.252 252 HB3 GLN 34 HB1 GLN 34 -12.241 1.748 -9.227 253 HG2 GLN 34 HG2 GLN 34 -10.565 1.496 -10.899 254 HG3 GLN 34 HG1 GLN 34 -11.545 2.351 -12.087 255 HE21 GLN 34 HE21 GLN 34 -8.863 2.899 -11.137 256 HE22 GLN 34 HE22 GLN 34 -8.895 4.523 -10.543 257 H GLY 35 HN GLY 35 -14.560 2.774 -11.721 258 HA2 GLY 35 HA2 GLY 35 -14.102 2.032 -14.529 259 HA3 GLY 35 HA1 GLY 35 -15.758 2.265 -13.985 260 H ASP 36 HN ASP 36 -12.624 3.963 -13.767 261 HA ASP 36 HA ASP 36 -14.061 6.494 -13.985 262 HB2 ASP 36 HB2 ASP 36 -12.029 7.568 -13.251 263 HB3 ASP 36 HB1 ASP 36 -12.383 6.225 -12.176 264 H GLY 37 HN GLY 37 -14.288 7.458 -15.855 265 HA2 GLY 37 HA2 GLY 37 -13.777 8.207 -17.999 266 HA3 GLY 37 HA1 GLY 37 -12.232 7.371 -17.896 267 H PHE 38 HN PHE 38 -12.563 4.895 -17.717 268 HA PHE 38 HA PHE 38 -14.762 3.939 -19.404 269 HB2 PHE 38 HB2 PHE 38 -11.816 3.442 -19.851 270 HB3 PHE 38 HB1 PHE 38 -13.042 2.338 -20.456 271 HD1 PHE 38 HD1 PHE 38 -14.556 3.022 -22.237 272 HD2 PHE 38 HD2 PHE 38 -11.450 5.583 -20.865 273 HE1 PHE 38 HE1 PHE 38 -14.791 4.388 -24.269 274 HE2 PHE 38 HE2 PHE 38 -11.683 6.956 -22.893 275 HZ PHE 38 HZ PHE 38 -13.354 6.359 -24.597 276 H LYS 39 HN LYS 39 -14.961 1.516 -19.232 277 HA LYS 39 HA LYS 39 -14.238 0.656 -16.518 278 HB2 LYS 39 HB2 LYS 39 -16.366 -0.214 -18.458 279 HB3 LYS 39 HB1 LYS 39 -15.882 -1.268 -17.139 280 HG2 LYS 39 HG2 LYS 39 -17.824 -0.056 -16.460 281 HG3 LYS 39 HG1 LYS 39 -16.448 0.557 -15.544 282 HD2 LYS 39 HD2 LYS 39 -16.278 2.430 -17.178 283 HD3 LYS 39 HD1 LYS 39 -17.755 1.841 -17.941 284 HE2 LYS 39 HE2 LYS 39 -17.471 2.770 -15.083 285 HE3 LYS 39 HE1 LYS 39 -18.220 3.676 -16.397 286 HZ1 LYS 39 HZ1 LYS 39 -19.853 1.853 -16.599 287 HZ2 LYS 39 HZ2 LYS 39 -19.921 2.649 -15.106 288 HZ3 LYS 39 HZ3 LYS 39 -19.181 1.123 -15.220 289 H SER 40 HN SER 40 -12.407 0.789 -18.762 290 HA SER 40 HA SER 40 -11.509 -1.997 -18.707 291 HB2 SER 40 HB2 SER 40 -11.366 -0.163 -21.115 292 HB3 SER 40 HB1 SER 40 -10.741 -1.811 -21.031 293 HG SER 40 HG SER 40 -13.305 -1.794 -20.259 294 H LEU 41 HN LEU 41 -9.211 -2.240 -18.793 295 HA LEU 41 HA LEU 41 -7.877 0.013 -17.522 296 HB2 LEU 41 HB2 LEU 41 -7.139 -2.894 -17.815 297 HB3 LEU 41 HB1 LEU 41 -6.035 -1.703 -17.161 298 HG LEU 41 HG LEU 41 -7.019 -2.858 -15.329 299 HD11 LEU 41 HD11 LEU 41 -8.151 -1.056 -14.126 300 HD12 LEU 41 HD12 LEU 41 -8.352 -0.173 -15.640 301 HD13 LEU 41 HD13 LEU 41 -6.736 -0.474 -15.001 302 HD21 LEU 41 HD21 LEU 41 -9.720 -2.171 -16.478 303 HD22 LEU 41 HD22 LEU 41 -9.414 -3.021 -14.963 304 HD23 LEU 41 HD23 LEU 41 -8.969 -3.765 -16.498 305 H ASP 42 HN ASP 42 -5.965 0.899 -18.235 306 HA ASP 42 HA ASP 42 -5.385 0.558 -21.067 307 HB2 ASP 42 HB2 ASP 42 -4.364 2.547 -19.024 308 HB3 ASP 42 HB1 ASP 42 -3.856 2.512 -20.709 309 H GLU 43 HN GLU 43 -4.009 -0.970 -21.603 310 HA GLU 43 HA GLU 43 -2.299 -2.289 -19.805 311 HB2 GLU 43 HB2 GLU 43 -2.069 -2.195 -22.819 312 HB3 GLU 43 HB1 GLU 43 -1.391 -3.418 -21.754 313 HG2 GLU 43 HG2 GLU 43 -3.235 -4.547 -22.378 314 HG3 GLU 43 HG1 GLU 43 -3.950 -3.637 -21.051 315 H GLY 44 HN GLY 44 -0.286 -1.899 -19.137 316 HA2 GLY 44 HA2 GLY 44 1.931 -1.079 -19.355 317 HA3 GLY 44 HA1 GLY 44 1.372 0.039 -20.593 318 H GLN 45 HN GLN 45 -0.936 0.337 -18.413 319 HA GLN 45 HA GLN 45 0.208 2.744 -17.289 320 HB2 GLN 45 HB2 GLN 45 -2.089 2.753 -18.161 321 HB3 GLN 45 HB1 GLN 45 -2.542 1.516 -17.001 322 HG2 GLN 45 HG2 GLN 45 -3.328 3.711 -16.323 323 HG3 GLN 45 HG1 GLN 45 -2.166 3.061 -15.169 324 HE21 GLN 45 HE21 GLN 45 -0.268 4.109 -14.829 325 HE22 GLN 45 HE22 GLN 45 0.129 5.635 -15.537 326 H ALA 46 HN ALA 46 1.239 2.788 -15.411 327 HA ALA 46 HA ALA 46 1.235 0.672 -13.525 328 HB1 ALA 46 HB1 ALA 46 2.470 2.199 -12.088 329 HB2 ALA 46 HB2 ALA 46 2.038 3.556 -13.127 330 HB3 ALA 46 HB3 ALA 46 3.089 2.279 -13.736 331 H VAL 47 HN VAL 47 0.013 0.359 -11.733 332 HA VAL 47 HA VAL 47 -2.087 2.331 -11.151 333 HB VAL 47 HB VAL 47 -3.725 0.467 -10.885 334 HG11 VAL 47 HG11 VAL 47 -4.133 0.147 -13.302 335 HG12 VAL 47 HG12 VAL 47 -2.542 0.836 -13.634 336 HG13 VAL 47 HG13 VAL 47 -3.791 1.825 -12.880 337 HG21 VAL 47 HG21 VAL 47 -3.247 -1.687 -11.956 338 HG22 VAL 47 HG22 VAL 47 -2.152 -1.373 -10.609 339 HG23 VAL 47 HG23 VAL 47 -1.594 -1.160 -12.269 340 H THR 48 HN THR 48 -2.971 2.228 -9.070 341 HA THR 48 HA THR 48 -1.434 0.638 -7.125 342 HB THR 48 HB THR 48 -2.177 2.365 -5.443 343 HG1 THR 48 HG1 THR 48 -2.547 4.370 -7.212 344 HG21 THR 48 HG21 THR 48 -0.509 3.402 -7.734 345 HG22 THR 48 HG22 THR 48 0.079 2.404 -6.402 346 HG23 THR 48 HG23 THR 48 -0.517 4.036 -6.090 347 H PHE 49 HN PHE 49 -2.528 -0.961 -6.250 348 HA PHE 49 HA PHE 49 -5.458 -0.772 -6.175 349 HB2 PHE 49 HB2 PHE 49 -5.533 -3.180 -6.867 350 HB3 PHE 49 HB1 PHE 49 -4.954 -2.090 -8.120 351 HD1 PHE 49 HD1 PHE 49 -4.002 -4.716 -5.754 352 HD2 PHE 49 HD2 PHE 49 -2.696 -2.197 -8.914 353 HE1 PHE 49 HE1 PHE 49 -1.982 -6.098 -6.006 354 HE2 PHE 49 HE2 PHE 49 -0.669 -3.566 -9.173 355 HZ PHE 49 HZ PHE 49 -0.307 -5.521 -7.720 356 H ASP 50 HN ASP 50 -6.414 -2.547 -4.816 357 HA ASP 50 HA ASP 50 -4.637 -3.131 -2.534 358 HB2 ASP 50 HB2 ASP 50 -6.584 -1.703 -1.979 359 HB3 ASP 50 HB1 ASP 50 -7.662 -2.973 -2.554 360 H VAL 51 HN VAL 51 -4.564 -5.231 -1.716 361 HA VAL 51 HA VAL 51 -5.426 -7.248 -3.642 362 HB VAL 51 HB VAL 51 -3.532 -7.510 -1.296 363 HG11 VAL 51 HG11 VAL 51 -2.945 -9.685 -2.274 364 HG12 VAL 51 HG12 VAL 51 -4.213 -9.476 -3.483 365 HG13 VAL 51 HG13 VAL 51 -4.636 -9.625 -1.777 366 HG21 VAL 51 HG21 VAL 51 -1.798 -7.694 -3.038 367 HG22 VAL 51 HG22 VAL 51 -2.595 -6.121 -3.039 368 HG23 VAL 51 HG23 VAL 51 -3.014 -7.324 -4.259 369 H GLU 52 HN GLU 52 -7.203 -8.349 -3.314 370 HA GLU 52 HA GLU 52 -8.298 -8.609 -0.620 371 HB2 GLU 52 HB2 GLU 52 -9.457 -8.275 -3.149 372 HB3 GLU 52 HB1 GLU 52 -9.788 -9.947 -2.724 373 HG2 GLU 52 HG2 GLU 52 -10.430 -7.584 -0.981 374 HG3 GLU 52 HG1 GLU 52 -11.575 -8.379 -2.059 375 H GLU 53 HN GLU 53 -8.599 -10.609 0.353 376 HA GLU 53 HA GLU 53 -6.902 -12.719 -0.798 377 HB2 GLU 53 HB2 GLU 53 -6.692 -13.417 1.682 378 HB3 GLU 53 HB1 GLU 53 -5.776 -12.027 1.115 379 HG2 GLU 53 HG2 GLU 53 -7.557 -10.553 1.995 380 HG3 GLU 53 HG1 GLU 53 -8.358 -11.977 2.654 381 H GLY 54 HN GLY 54 -8.154 -14.197 -1.685 382 HA2 GLY 54 HA2 GLY 54 -10.437 -15.198 -0.095 383 HA3 GLY 54 HA1 GLY 54 -10.544 -14.968 -1.837 384 H GLN 55 HN GLN 55 -11.203 -17.303 -1.603 385 HA GLN 55 HA GLN 55 -9.146 -19.205 -0.961 386 HB2 GLN 55 HB2 GLN 55 -11.833 -19.598 -2.295 387 HB3 GLN 55 HB1 GLN 55 -10.785 -20.889 -1.724 388 HG2 GLN 55 HG2 GLN 55 -10.976 -19.945 0.570 389 HG3 GLN 55 HG1 GLN 55 -12.159 -18.797 -0.058 390 HE21 GLN 55 HE21 GLN 55 -14.184 -19.543 -0.715 391 HE22 GLN 55 HE22 GLN 55 -14.781 -21.100 -0.242 392 H ARG 56 HN ARG 56 -9.600 -17.276 -3.595 393 HA ARG 56 HA ARG 56 -8.447 -19.216 -5.460 394 HB2 ARG 56 HB2 ARG 56 -9.550 -16.438 -5.921 395 HB3 ARG 56 HB1 ARG 56 -8.802 -17.424 -7.170 396 HG2 ARG 56 HG2 ARG 56 -11.334 -18.028 -5.657 397 HG3 ARG 56 HG1 ARG 56 -11.180 -17.604 -7.362 398 HD2 ARG 56 HD2 ARG 56 -10.148 -20.101 -6.022 399 HD3 ARG 56 HD1 ARG 56 -11.520 -19.995 -7.124 400 HE ARG 56 HE ARG 56 -9.795 -19.226 -8.820 401 HH11 ARG 56 HH11 ARG 56 -9.033 -21.384 -6.165 402 HH12 ARG 56 HH12 ARG 56 -7.709 -22.151 -6.988 403 HH21 ARG 56 HH21 ARG 56 -8.045 -20.231 -9.907 404 HH22 ARG 56 HH22 ARG 56 -7.133 -21.473 -9.107 405 H GLY 57 HN GLY 57 -7.332 -17.309 -3.142 406 HA2 GLY 57 HA2 GLY 57 -5.054 -16.849 -2.768 407 HA3 GLY 57 HA1 GLY 57 -4.783 -16.883 -4.507 408 HA PRO 58 HA PRO 58 -4.825 -12.455 -3.517 409 HB2 PRO 58 HB2 PRO 58 -2.972 -11.707 -5.323 410 HB3 PRO 58 HB1 PRO 58 -2.534 -12.449 -3.781 411 HG2 PRO 58 HG2 PRO 58 -2.639 -13.655 -6.501 412 HG3 PRO 58 HG1 PRO 58 -1.492 -13.950 -5.185 413 HD2 PRO 58 HD2 PRO 58 -3.631 -15.591 -5.818 414 HD3 PRO 58 HD1 PRO 58 -2.807 -15.555 -4.249 415 H GLN 59 HN GLN 59 -6.752 -11.749 -4.242 416 HA GLN 59 HA GLN 59 -7.069 -11.423 -7.149 417 HB2 GLN 59 HB2 GLN 59 -9.532 -11.209 -6.607 418 HB3 GLN 59 HB1 GLN 59 -8.836 -12.803 -6.350 419 HG2 GLN 59 HG2 GLN 59 -8.599 -12.205 -3.930 420 HG3 GLN 59 HG1 GLN 59 -9.524 -10.745 -4.268 421 HE21 GLN 59 HE21 GLN 59 -11.208 -12.144 -6.240 422 HE22 GLN 59 HE22 GLN 59 -12.316 -13.089 -5.308 423 H ALA 60 HN ALA 60 -7.107 -9.406 -7.936 424 HA ALA 60 HA ALA 60 -6.523 -7.266 -6.094 425 HB1 ALA 60 HB1 ALA 60 -5.282 -7.463 -8.177 426 HB2 ALA 60 HB2 ALA 60 -6.141 -5.924 -8.099 427 HB3 ALA 60 HB3 ALA 60 -6.769 -7.237 -9.095 428 H ALA 61 HN ALA 61 -7.831 -5.759 -5.370 429 HA ALA 61 HA ALA 61 -10.368 -5.225 -6.753 430 HB1 ALA 61 HB1 ALA 61 -11.546 -5.111 -4.600 431 HB2 ALA 61 HB2 ALA 61 -10.078 -5.629 -3.768 432 HB3 ALA 61 HB3 ALA 61 -10.890 -6.723 -4.888 433 H ASN 62 HN ASN 62 -11.069 -3.069 -6.570 434 HA ASN 62 HA ASN 62 -10.757 -0.818 -6.535 435 HB2 ASN 62 HB2 ASN 62 -9.245 -1.448 -3.985 436 HB3 ASN 62 HB1 ASN 62 -9.667 0.177 -4.514 437 HD21 ASN 62 HD21 ASN 62 -10.432 -1.309 -2.116 438 HD22 ASN 62 HD22 ASN 62 -12.158 -1.328 -2.101 439 H VAL 63 HN VAL 63 -9.553 -0.885 -8.437 440 HA VAL 63 HA VAL 63 -6.633 -0.685 -8.122 441 HB VAL 63 HB VAL 63 -8.153 -1.446 -10.622 442 HG11 VAL 63 HG11 VAL 63 -5.948 -2.152 -11.447 443 HG12 VAL 63 HG12 VAL 63 -5.212 -1.540 -9.965 444 HG13 VAL 63 HG13 VAL 63 -6.001 -0.427 -11.082 445 HG21 VAL 63 HG21 VAL 63 -7.320 -3.736 -10.204 446 HG22 VAL 63 HG22 VAL 63 -8.447 -3.180 -8.967 447 HG23 VAL 63 HG23 VAL 63 -6.715 -3.200 -8.636 448 H GLN 64 HN GLN 64 -6.128 1.423 -8.065 449 HA GLN 64 HA GLN 64 -7.583 3.279 -9.809 450 HB2 GLN 64 HB2 GLN 64 -5.711 3.822 -7.496 451 HB3 GLN 64 HB1 GLN 64 -6.543 5.053 -8.438 452 HG2 GLN 64 HG2 GLN 64 -8.695 4.164 -7.704 453 HG3 GLN 64 HG1 GLN 64 -7.859 2.936 -6.753 454 HE21 GLN 64 HE21 GLN 64 -8.657 6.301 -7.037 455 HE22 GLN 64 HE22 GLN 64 -8.222 6.745 -5.416 456 H LYS 65 HN LYS 65 -6.515 4.617 -11.269 457 HA LYS 65 HA LYS 65 -4.038 3.507 -12.267 458 HB2 LYS 65 HB2 LYS 65 -5.706 5.813 -13.293 459 HB3 LYS 65 HB1 LYS 65 -4.321 5.113 -14.121 460 HG2 LYS 65 HG2 LYS 65 -5.576 2.921 -14.110 461 HG3 LYS 65 HG1 LYS 65 -6.987 3.841 -13.582 462 HD2 LYS 65 HD2 LYS 65 -5.418 4.501 -16.067 463 HD3 LYS 65 HD1 LYS 65 -6.816 3.428 -16.067 464 HE2 LYS 65 HE2 LYS 65 -7.041 6.154 -14.872 465 HE3 LYS 65 HE1 LYS 65 -7.087 5.969 -16.624 466 HZ1 LYS 65 HZ1 LYS 65 -9.307 5.936 -15.799 467 HZ2 LYS 65 HZ2 LYS 65 -8.953 4.756 -14.643 468 HZ3 LYS 65 HZ3 LYS 65 -8.935 4.359 -16.295 469 H ALA 66 HN ALA 66 -2.041 4.428 -12.168 470 HA ALA 66 HA ALA 66 -1.765 6.654 -10.306 471 HB1 ALA 66 HB1 ALA 66 -0.415 4.653 -9.911 472 HB2 ALA 66 HB2 ALA 66 0.602 6.057 -10.238 473 HB3 ALA 66 HB3 ALA 66 0.340 4.847 -11.495 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -3.114 -3.115 -1.526 2 H2 MET 1 HT2 MET 1 -1.496 -3.430 -1.963 3 H3 MET 1 HT3 MET 1 -2.624 -2.972 -3.145 4 HA MET 1 HA MET 1 -2.852 -0.804 -2.219 5 HB2 MET 1 HB2 MET 1 -0.912 -1.842 -0.148 6 HB3 MET 1 HB1 MET 1 -1.284 -0.138 -0.361 7 HG2 MET 1 HG2 MET 1 -3.614 -0.562 0.181 8 HG3 MET 1 HG1 MET 1 -3.274 -2.282 0.356 9 HE1 MET 1 HE1 MET 1 -1.580 0.976 3.161 10 HE2 MET 1 HE2 MET 1 -2.701 1.313 1.842 11 HE3 MET 1 HE3 MET 1 -1.059 0.779 1.489 12 H GLU 2 HN GLU 2 -0.610 -2.824 -3.538 13 HA GLU 2 HA GLU 2 1.510 -0.835 -3.777 14 HB2 GLU 2 HB2 GLU 2 1.564 -3.675 -4.784 15 HB3 GLU 2 HB1 GLU 2 2.929 -2.609 -4.486 16 HG2 GLU 2 HG2 GLU 2 3.080 -3.853 -2.616 17 HG3 GLU 2 HG1 GLU 2 1.922 -2.663 -2.024 18 H GLN 3 HN GLN 3 2.718 -1.115 -5.994 19 HA GLN 3 HA GLN 3 0.793 -0.323 -8.039 20 HB2 GLN 3 HB2 GLN 3 3.816 -0.264 -8.115 21 HB3 GLN 3 HB1 GLN 3 2.726 0.523 -9.247 22 HG2 GLN 3 HG2 GLN 3 1.946 2.011 -7.510 23 HG3 GLN 3 HG1 GLN 3 2.944 1.182 -6.319 24 HE21 GLN 3 HE21 GLN 3 4.091 3.003 -5.784 25 HE22 GLN 3 HE22 GLN 3 5.253 3.725 -6.848 26 H GLY 4 HN GLY 4 0.557 -1.360 -10.004 27 HA2 GLY 4 HA2 GLY 4 2.293 -3.559 -10.730 28 HA3 GLY 4 HA1 GLY 4 0.666 -4.044 -10.272 29 H THR 5 HN THR 5 1.991 -4.275 -12.855 30 HA THR 5 HA THR 5 0.520 -2.364 -14.510 31 HB THR 5 HB THR 5 2.415 -4.475 -15.522 32 HG1 THR 5 HG1 THR 5 3.970 -3.462 -14.543 33 HG21 THR 5 HG21 THR 5 1.650 -1.742 -16.553 34 HG22 THR 5 HG22 THR 5 1.076 -3.286 -17.184 35 HG23 THR 5 HG23 THR 5 2.781 -2.855 -17.324 36 H VAL 6 HN VAL 6 -1.249 -2.941 -15.647 37 HA VAL 6 HA VAL 6 -2.430 -5.510 -15.358 38 HB VAL 6 HB VAL 6 -3.075 -3.386 -17.418 39 HG11 VAL 6 HG11 VAL 6 -4.705 -5.706 -16.386 40 HG12 VAL 6 HG12 VAL 6 -4.002 -5.557 -17.996 41 HG13 VAL 6 HG13 VAL 6 -5.284 -4.457 -17.490 42 HG21 VAL 6 HG21 VAL 6 -3.214 -2.506 -15.139 43 HG22 VAL 6 HG22 VAL 6 -4.272 -3.841 -14.685 44 HG23 VAL 6 HG23 VAL 6 -4.812 -2.650 -15.867 45 H LYS 7 HN LYS 7 -1.400 -7.223 -16.161 46 HA LYS 7 HA LYS 7 0.415 -7.203 -18.303 47 HB2 LYS 7 HB2 LYS 7 -1.148 -9.530 -17.163 48 HB3 LYS 7 HB1 LYS 7 0.289 -9.657 -18.168 49 HG2 LYS 7 HG2 LYS 7 0.237 -8.284 -15.498 50 HG3 LYS 7 HG1 LYS 7 0.667 -9.980 -15.729 51 HD2 LYS 7 HD2 LYS 7 2.065 -7.684 -17.097 52 HD3 LYS 7 HD1 LYS 7 2.621 -8.425 -15.595 53 HE2 LYS 7 HE2 LYS 7 2.719 -10.608 -16.786 54 HE3 LYS 7 HE1 LYS 7 2.327 -9.762 -18.282 55 HZ1 LYS 7 HZ1 LYS 7 4.697 -9.175 -16.593 56 HZ2 LYS 7 HZ2 LYS 7 4.344 -8.508 -18.115 57 HZ3 LYS 7 HZ3 LYS 7 4.721 -10.154 -17.973 58 H TRP 8 HN TRP 8 -2.782 -8.724 -18.155 59 HA TRP 8 HA TRP 8 -3.501 -7.680 -20.723 60 HB2 TRP 8 HB2 TRP 8 -4.027 -9.964 -21.668 61 HB3 TRP 8 HB1 TRP 8 -2.318 -9.563 -21.579 62 HD1 TRP 8 HD1 TRP 8 -4.944 -11.807 -19.860 63 HE1 TRP 8 HE1 TRP 8 -3.709 -13.756 -18.713 64 HE3 TRP 8 HE3 TRP 8 -0.120 -10.297 -20.652 65 HZ2 TRP 8 HZ2 TRP 8 -1.051 -14.539 -18.204 66 HZ3 TRP 8 HZ3 TRP 8 1.706 -11.710 -19.809 67 HH2 TRP 8 HH2 TRP 8 1.250 -13.786 -18.611 68 H PHE 9 HN PHE 9 -5.670 -7.508 -20.924 69 HA PHE 9 HA PHE 9 -7.309 -8.786 -18.856 70 HB2 PHE 9 HB2 PHE 9 -6.749 -6.452 -18.176 71 HB3 PHE 9 HB1 PHE 9 -7.508 -5.872 -19.653 72 HD1 PHE 9 HD2 PHE 9 -8.216 -7.824 -16.573 73 HD2 PHE 9 HD1 PHE 9 -9.764 -5.357 -19.671 74 HE1 PHE 9 HE2 PHE 9 -10.379 -7.728 -15.408 75 HE2 PHE 9 HE1 PHE 9 -11.931 -5.254 -18.512 76 HZ PHE 9 HZ PHE 9 -12.241 -6.441 -16.377 77 H ASN 10 HN ASN 10 -8.683 -10.027 -19.907 78 HA ASN 10 HA ASN 10 -9.602 -9.413 -22.565 79 HB2 ASN 10 HB2 ASN 10 -10.524 -11.538 -20.604 80 HB3 ASN 10 HB1 ASN 10 -11.046 -11.420 -22.277 81 HD21 ASN 10 HD21 ASN 10 -10.269 -13.489 -22.715 82 HD22 ASN 10 HD22 ASN 10 -8.582 -13.814 -22.882 83 H ALA 11 HN ALA 11 -10.487 -7.312 -22.097 84 HA ALA 11 HA ALA 11 -12.490 -6.806 -20.209 85 HB1 ALA 11 HB1 ALA 11 -12.963 -4.784 -21.493 86 HB2 ALA 11 HB2 ALA 11 -12.032 -5.420 -22.851 87 HB3 ALA 11 HB3 ALA 11 -11.224 -5.037 -21.329 88 H GLU 12 HN GLU 12 -12.629 -8.086 -23.437 89 HA GLU 12 HA GLU 12 -15.411 -7.842 -23.852 90 HB2 GLU 12 HB2 GLU 12 -14.990 -9.621 -25.604 91 HB3 GLU 12 HB1 GLU 12 -14.014 -8.164 -25.747 92 HG2 GLU 12 HG2 GLU 12 -12.105 -9.264 -24.840 93 HG3 GLU 12 HG1 GLU 12 -13.063 -10.675 -24.398 94 H LYS 13 HN LYS 13 -13.505 -10.100 -22.043 95 HA LYS 13 HA LYS 13 -15.812 -11.910 -21.838 96 HB2 LYS 13 HB2 LYS 13 -12.868 -12.453 -21.435 97 HB3 LYS 13 HB1 LYS 13 -14.139 -13.621 -21.094 98 HG2 LYS 13 HG2 LYS 13 -13.581 -12.391 -23.793 99 HG3 LYS 13 HG1 LYS 13 -13.082 -14.003 -23.273 100 HD2 LYS 13 HD2 LYS 13 -15.406 -14.663 -23.004 101 HD3 LYS 13 HD1 LYS 13 -15.937 -13.039 -23.438 102 HE2 LYS 13 HE2 LYS 13 -14.347 -14.839 -25.262 103 HE3 LYS 13 HE1 LYS 13 -16.106 -14.724 -25.280 104 HZ1 LYS 13 HZ1 LYS 13 -15.290 -13.301 -26.962 105 HZ2 LYS 13 HZ2 LYS 13 -14.150 -12.590 -25.936 106 HZ3 LYS 13 HZ3 LYS 13 -15.806 -12.290 -25.704 107 H GLY 14 HN GLY 14 -13.816 -9.735 -20.098 108 HA2 GLY 14 HA2 GLY 14 -14.677 -8.682 -18.176 109 HA3 GLY 14 HA1 GLY 14 -15.635 -10.113 -17.845 110 H PHE 15 HN PHE 15 -12.258 -10.569 -18.570 111 HA PHE 15 HA PHE 15 -11.486 -10.483 -15.786 112 HB2 PHE 15 HB2 PHE 15 -10.925 -12.811 -15.537 113 HB3 PHE 15 HB1 PHE 15 -12.618 -12.692 -15.986 114 HD1 PHE 15 HD1 PHE 15 -13.340 -13.325 -18.270 115 HD2 PHE 15 HD2 PHE 15 -9.346 -13.917 -16.924 116 HE1 PHE 15 HE1 PHE 15 -12.951 -14.903 -20.117 117 HE2 PHE 15 HE2 PHE 15 -8.953 -15.494 -18.770 118 HZ PHE 15 HZ PHE 15 -10.757 -15.987 -20.370 119 H GLY 16 HN GLY 16 -9.215 -10.823 -15.438 120 HA2 GLY 16 HA2 GLY 16 -7.439 -11.302 -17.632 121 HA3 GLY 16 HA1 GLY 16 -7.518 -9.595 -17.218 122 H PHE 17 HN PHE 17 -5.163 -10.099 -16.819 123 HA PHE 17 HA PHE 17 -4.825 -10.870 -13.999 124 HB2 PHE 17 HB2 PHE 17 -3.134 -11.782 -16.330 125 HB3 PHE 17 HB1 PHE 17 -2.597 -11.879 -14.657 126 HD1 PHE 17 HD1 PHE 17 -3.664 -13.414 -13.092 127 HD2 PHE 17 HD2 PHE 17 -4.787 -13.290 -17.196 128 HE1 PHE 17 HE1 PHE 17 -4.776 -15.594 -12.850 129 HE2 PHE 17 HE2 PHE 17 -5.903 -15.470 -16.961 130 HZ PHE 17 HZ PHE 17 -5.898 -16.626 -14.786 131 H ILE 18 HN ILE 18 -3.478 -9.641 -12.834 132 HA ILE 18 HA ILE 18 -1.950 -7.527 -14.220 133 HB ILE 18 HB ILE 18 -3.172 -7.371 -11.449 134 HG12 ILE 18 HG12 ILE 18 -4.055 -6.008 -14.004 135 HG13 ILE 18 HG11 ILE 18 -4.894 -7.347 -13.228 136 HG21 ILE 18 HG21 ILE 18 -1.823 -5.256 -13.122 137 HG22 ILE 18 HG22 ILE 18 -1.136 -6.049 -11.701 138 HG23 ILE 18 HG23 ILE 18 -2.555 -5.014 -11.535 139 HD11 ILE 18 HD11 ILE 18 -4.494 -4.586 -12.092 140 HD12 ILE 18 HD12 ILE 18 -5.277 -5.928 -11.253 141 HD13 ILE 18 HD13 ILE 18 -5.997 -5.266 -12.721 142 H GLU 19 HN GLU 19 0.176 -7.116 -13.388 143 HA GLU 19 HA GLU 19 1.271 -9.451 -12.034 144 HB2 GLU 19 HB2 GLU 19 3.451 -8.631 -12.688 145 HB3 GLU 19 HB1 GLU 19 2.373 -8.619 -14.074 146 HG2 GLU 19 HG2 GLU 19 2.059 -6.220 -13.828 147 HG3 GLU 19 HG1 GLU 19 3.112 -6.222 -12.413 148 H ARG 20 HN ARG 20 2.806 -9.230 -10.311 149 HA ARG 20 HA ARG 20 2.511 -6.817 -8.673 150 HB2 ARG 20 HB2 ARG 20 0.964 -8.713 -7.969 151 HB3 ARG 20 HB1 ARG 20 2.407 -9.626 -7.569 152 HG2 ARG 20 HG2 ARG 20 3.014 -7.982 -5.891 153 HG3 ARG 20 HG1 ARG 20 1.613 -6.999 -6.334 154 HD2 ARG 20 HD2 ARG 20 0.137 -8.876 -5.722 155 HD3 ARG 20 HD1 ARG 20 1.548 -9.799 -5.211 156 HE ARG 20 HE ARG 20 1.370 -7.268 -3.890 157 HH11 ARG 20 HH11 ARG 20 0.149 -10.571 -3.854 158 HH12 ARG 20 HH12 ARG 20 -0.290 -10.497 -2.165 159 HH21 ARG 20 HH21 ARG 20 0.770 -7.188 -1.709 160 HH22 ARG 20 HH22 ARG 20 0.064 -8.592 -0.957 161 H GLU 21 HN GLU 21 4.261 -6.686 -7.027 162 HA GLU 21 HA GLU 21 6.698 -6.615 -8.254 163 HB2 GLU 21 HB2 GLU 21 6.178 -6.866 -5.296 164 HB3 GLU 21 HB1 GLU 21 7.674 -6.294 -6.021 165 HG2 GLU 21 HG2 GLU 21 6.439 -4.421 -7.030 166 HG3 GLU 21 HG1 GLU 21 4.974 -4.982 -6.224 167 H ASN 22 HN ASN 22 5.639 -9.179 -5.999 168 HA ASN 22 HA ASN 22 8.186 -10.533 -6.347 169 HB2 ASN 22 HB2 ASN 22 5.779 -11.261 -4.664 170 HB3 ASN 22 HB1 ASN 22 7.312 -12.123 -4.658 171 HD21 ASN 22 HD21 ASN 22 5.559 -9.438 -3.479 172 HD22 ASN 22 HD22 ASN 22 6.823 -8.748 -2.512 173 H GLY 23 HN GLY 23 6.067 -10.358 -8.541 174 HA2 GLY 23 HA2 GLY 23 5.536 -11.761 -10.305 175 HA3 GLY 23 HA1 GLY 23 6.382 -13.062 -9.474 176 H ASP 24 HN ASP 24 4.163 -11.543 -7.500 177 HA ASP 24 HA ASP 24 2.473 -13.856 -7.385 178 HB2 ASP 24 HB2 ASP 24 3.133 -12.560 -5.381 179 HB3 ASP 24 HB1 ASP 24 2.262 -11.166 -6.001 180 H ASP 25 HN ASP 25 1.580 -13.891 -9.497 181 HA ASP 25 HA ASP 25 0.354 -11.722 -10.762 182 HB2 ASP 25 HB2 ASP 25 -0.698 -13.339 -12.256 183 HB3 ASP 25 HB1 ASP 25 0.983 -13.766 -11.967 184 H VAL 26 HN VAL 26 -1.510 -10.737 -10.570 185 HA VAL 26 HA VAL 26 -3.392 -11.748 -8.553 186 HB VAL 26 HB VAL 26 -3.183 -8.921 -9.598 187 HG11 VAL 26 HG11 VAL 26 -4.407 -8.351 -7.566 188 HG12 VAL 26 HG12 VAL 26 -4.458 -10.055 -7.115 189 HG13 VAL 26 HG13 VAL 26 -5.308 -9.500 -8.557 190 HG21 VAL 26 HG21 VAL 26 -1.059 -9.514 -8.571 191 HG22 VAL 26 HG22 VAL 26 -1.900 -10.097 -7.134 192 HG23 VAL 26 HG23 VAL 26 -1.946 -8.383 -7.549 193 H PHE 27 HN PHE 27 -5.325 -12.438 -9.218 194 HA PHE 27 HA PHE 27 -6.069 -12.146 -12.002 195 HB2 PHE 27 HB2 PHE 27 -6.408 -14.303 -10.891 196 HB3 PHE 27 HB1 PHE 27 -7.466 -13.545 -9.707 197 HD1 PHE 27 HD2 PHE 27 -7.131 -14.283 -13.322 198 HD2 PHE 27 HD1 PHE 27 -9.751 -13.329 -10.108 199 HE1 PHE 27 HE2 PHE 27 -9.066 -14.709 -14.780 200 HE2 PHE 27 HE1 PHE 27 -11.693 -13.753 -11.558 201 HZ PHE 27 HZ PHE 27 -11.352 -14.443 -13.899 202 H VAL 28 HN VAL 28 -7.537 -10.751 -12.808 203 HA VAL 28 HA VAL 28 -9.123 -9.217 -10.861 204 HB VAL 28 HB VAL 28 -7.313 -7.822 -11.722 205 HG11 VAL 28 HG11 VAL 28 -6.938 -8.895 -13.866 206 HG12 VAL 28 HG12 VAL 28 -7.218 -7.166 -14.073 207 HG13 VAL 28 HG13 VAL 28 -8.502 -8.317 -14.446 208 HG21 VAL 28 HG21 VAL 28 -8.660 -5.932 -12.523 209 HG22 VAL 28 HG22 VAL 28 -9.408 -6.748 -11.150 210 HG23 VAL 28 HG23 VAL 28 -10.022 -7.024 -12.781 211 H HIS 29 HN HIS 29 -11.223 -8.931 -11.280 212 HA HIS 29 HA HIS 29 -12.289 -9.959 -13.832 213 HB2 HIS 29 HB2 HIS 29 -12.859 -11.213 -11.669 214 HB3 HIS 29 HB1 HIS 29 -13.776 -9.790 -11.200 215 HD1 HIS 29 HD1 HIS 29 -13.872 -12.755 -13.465 216 HD2 HIS 29 HD2 HIS 29 -16.210 -9.441 -12.558 217 HE1 HIS 29 HE1 HIS 29 -16.106 -13.193 -14.527 218 HE2 HIS 29 HE2 HIS 29 -17.566 -11.292 -13.748 219 H PHE 30 HN PHE 30 -14.125 -8.731 -14.716 220 HA PHE 30 HA PHE 30 -13.489 -6.008 -14.784 221 HB2 PHE 30 HB2 PHE 30 -15.213 -5.730 -16.353 222 HB3 PHE 30 HB1 PHE 30 -14.669 -7.387 -16.576 223 HD1 PHE 30 HD1 PHE 30 -16.073 -9.255 -15.701 224 HD2 PHE 30 HD2 PHE 30 -17.425 -5.221 -15.731 225 HE1 PHE 30 HE1 PHE 30 -18.392 -10.032 -15.449 226 HE2 PHE 30 HE2 PHE 30 -19.744 -5.992 -15.472 227 HZ PHE 30 HZ PHE 30 -20.231 -8.400 -15.330 228 H SER 31 HN SER 31 -15.543 -7.655 -12.576 229 HA SER 31 HA SER 31 -17.014 -5.244 -11.885 230 HB2 SER 31 HB2 SER 31 -18.148 -7.468 -11.944 231 HB3 SER 31 HB1 SER 31 -17.129 -7.985 -10.604 232 HG SER 31 HG SER 31 -18.114 -6.506 -9.273 233 H ALA 32 HN ALA 32 -14.070 -6.620 -11.120 234 HA ALA 32 HA ALA 32 -14.040 -5.521 -8.392 235 HB1 ALA 32 HB1 ALA 32 -12.099 -7.401 -9.736 236 HB2 ALA 32 HB2 ALA 32 -13.363 -7.860 -8.594 237 HB3 ALA 32 HB3 ALA 32 -12.017 -6.853 -8.062 238 H ILE 33 HN ILE 33 -12.719 -5.175 -11.568 239 HA ILE 33 HA ILE 33 -10.652 -3.322 -10.836 240 HB ILE 33 HB ILE 33 -10.687 -4.803 -12.912 241 HG12 ILE 33 HG12 ILE 33 -10.286 -1.853 -13.424 242 HG13 ILE 33 HG11 ILE 33 -9.126 -2.889 -12.597 243 HG21 ILE 33 HG21 ILE 33 -12.976 -4.391 -13.605 244 HG22 ILE 33 HG22 ILE 33 -11.849 -3.941 -14.885 245 HG23 ILE 33 HG23 ILE 33 -12.601 -2.692 -13.894 246 HD11 ILE 33 HD11 ILE 33 -8.481 -2.568 -14.908 247 HD12 ILE 33 HD12 ILE 33 -10.049 -3.168 -15.450 248 HD13 ILE 33 HD13 ILE 33 -8.927 -4.253 -14.630 249 H GLN 34 HN GLN 34 -10.751 -0.987 -11.732 250 HA GLN 34 HA GLN 34 -13.176 0.119 -10.676 251 HB2 GLN 34 HB2 GLN 34 -12.174 2.289 -10.869 252 HB3 GLN 34 HB1 GLN 34 -11.007 1.174 -10.193 253 HG2 GLN 34 HG2 GLN 34 -10.980 1.822 -13.111 254 HG3 GLN 34 HG1 GLN 34 -10.261 2.918 -11.938 255 HE21 GLN 34 HE21 GLN 34 -8.194 2.680 -12.618 256 HE22 GLN 34 HE22 GLN 34 -7.295 1.214 -12.468 257 H GLY 35 HN GLY 35 -14.384 -1.063 -12.432 258 HA2 GLY 35 HA2 GLY 35 -14.580 0.261 -14.983 259 HA3 GLY 35 HA1 GLY 35 -15.670 -0.971 -14.354 260 H ASP 36 HN ASP 36 -14.714 2.370 -13.735 261 HA ASP 36 HA ASP 36 -17.167 3.042 -12.427 262 HB2 ASP 36 HB2 ASP 36 -14.955 4.108 -11.956 263 HB3 ASP 36 HB1 ASP 36 -15.030 4.878 -13.536 264 H GLY 37 HN GLY 37 -18.740 2.453 -13.997 265 HA2 GLY 37 HA2 GLY 37 -20.317 3.067 -15.577 266 HA3 GLY 37 HA1 GLY 37 -19.424 4.563 -15.833 267 H PHE 38 HN PHE 38 -17.357 4.345 -17.021 268 HA PHE 38 HA PHE 38 -17.136 2.047 -18.789 269 HB2 PHE 38 HB2 PHE 38 -17.579 4.864 -19.789 270 HB3 PHE 38 HB1 PHE 38 -16.855 3.608 -20.784 271 HD1 PHE 38 HD1 PHE 38 -18.207 1.503 -21.204 272 HD2 PHE 38 HD2 PHE 38 -19.891 5.080 -19.633 273 HE1 PHE 38 HE1 PHE 38 -20.445 0.741 -21.884 274 HE2 PHE 38 HE2 PHE 38 -22.133 4.326 -20.307 275 HZ PHE 38 HZ PHE 38 -22.413 2.154 -21.434 276 H LYS 39 HN LYS 39 -15.259 1.721 -17.490 277 HA LYS 39 HA LYS 39 -12.994 3.321 -18.453 278 HB2 LYS 39 HB2 LYS 39 -13.695 2.702 -15.634 279 HB3 LYS 39 HB1 LYS 39 -12.003 2.549 -16.077 280 HG2 LYS 39 HG2 LYS 39 -12.070 4.706 -15.342 281 HG3 LYS 39 HG1 LYS 39 -12.353 4.943 -17.064 282 HD2 LYS 39 HD2 LYS 39 -14.694 5.219 -16.719 283 HD3 LYS 39 HD1 LYS 39 -14.567 4.704 -15.036 284 HE2 LYS 39 HE2 LYS 39 -13.078 6.691 -14.650 285 HE3 LYS 39 HE1 LYS 39 -13.491 7.237 -16.271 286 HZ1 LYS 39 HZ1 LYS 39 -15.448 6.769 -14.080 287 HZ2 LYS 39 HZ2 LYS 39 -15.802 7.369 -15.620 288 HZ3 LYS 39 HZ3 LYS 39 -14.852 8.282 -14.551 289 H SER 40 HN SER 40 -12.096 1.920 -19.839 290 HA SER 40 HA SER 40 -11.572 -0.807 -18.880 291 HB2 SER 40 HB2 SER 40 -11.008 -1.250 -21.314 292 HB3 SER 40 HB1 SER 40 -12.693 -0.851 -20.992 293 HG SER 40 HG SER 40 -12.203 1.313 -21.634 294 H LEU 41 HN LEU 41 -9.612 -1.264 -18.170 295 HA LEU 41 HA LEU 41 -7.452 0.615 -18.543 296 HB2 LEU 41 HB2 LEU 41 -7.804 -1.882 -16.923 297 HB3 LEU 41 HB1 LEU 41 -6.203 -1.225 -17.183 298 HG LEU 41 HG LEU 41 -6.971 0.922 -16.164 299 HD11 LEU 41 HD11 LEU 41 -9.027 0.872 -14.810 300 HD12 LEU 41 HD12 LEU 41 -9.433 -0.693 -15.513 301 HD13 LEU 41 HD13 LEU 41 -9.352 0.741 -16.536 302 HD21 LEU 41 HD21 LEU 41 -7.245 -1.529 -14.435 303 HD22 LEU 41 HD22 LEU 41 -6.889 0.107 -13.878 304 HD23 LEU 41 HD23 LEU 41 -5.730 -0.753 -14.892 305 H ASP 42 HN ASP 42 -5.921 0.485 -19.995 306 HA ASP 42 HA ASP 42 -6.039 -1.525 -22.025 307 HB2 ASP 42 HB2 ASP 42 -5.531 0.886 -22.454 308 HB3 ASP 42 HB1 ASP 42 -3.988 0.667 -21.637 309 H GLU 43 HN GLU 43 -4.664 -3.199 -22.409 310 HA GLU 43 HA GLU 43 -3.170 -4.307 -20.310 311 HB2 GLU 43 HB2 GLU 43 -2.835 -4.881 -23.261 312 HB3 GLU 43 HB1 GLU 43 -2.363 -5.927 -21.930 313 HG2 GLU 43 HG2 GLU 43 -4.312 -6.929 -22.473 314 HG3 GLU 43 HG1 GLU 43 -4.950 -5.718 -21.363 315 H GLY 44 HN GLY 44 -1.456 -3.370 -19.449 316 HA2 GLY 44 HA2 GLY 44 0.981 -3.009 -19.889 317 HA3 GLY 44 HA1 GLY 44 0.462 -2.011 -21.241 318 H GLN 45 HN GLN 45 -1.848 -1.323 -19.206 319 HA GLN 45 HA GLN 45 -0.660 1.125 -18.294 320 HB2 GLN 45 HB2 GLN 45 -2.954 1.148 -19.023 321 HB3 GLN 45 HB1 GLN 45 -3.381 -0.114 -17.878 322 HG2 GLN 45 HG2 GLN 45 -3.030 1.388 -16.026 323 HG3 GLN 45 HG1 GLN 45 -2.466 2.651 -17.120 324 HE21 GLN 45 HE21 GLN 45 -4.415 2.104 -19.159 325 HE22 GLN 45 HE22 GLN 45 -5.945 2.674 -18.566 326 H ALA 46 HN ALA 46 0.298 1.490 -16.401 327 HA ALA 46 HA ALA 46 0.261 -0.579 -14.350 328 HB1 ALA 46 HB1 ALA 46 1.885 1.956 -14.517 329 HB2 ALA 46 HB2 ALA 46 2.421 0.359 -15.035 330 HB3 ALA 46 HB3 ALA 46 2.091 0.669 -13.330 331 H VAL 47 HN VAL 47 -0.797 -0.404 -12.462 332 HA VAL 47 HA VAL 47 -1.929 2.200 -11.716 333 HB VAL 47 HB VAL 47 -4.089 1.053 -11.131 334 HG11 VAL 47 HG11 VAL 47 -4.956 1.047 -13.438 335 HG12 VAL 47 HG12 VAL 47 -3.299 1.125 -14.041 336 HG13 VAL 47 HG13 VAL 47 -3.958 2.457 -13.089 337 HG21 VAL 47 HG21 VAL 47 -4.614 -1.054 -12.278 338 HG22 VAL 47 HG22 VAL 47 -3.307 -1.244 -11.111 339 HG23 VAL 47 HG23 VAL 47 -2.944 -1.158 -12.834 340 H THR 48 HN THR 48 -3.063 1.972 -9.510 341 HA THR 48 HA THR 48 -1.414 0.277 -7.752 342 HB THR 48 HB THR 48 -2.093 1.937 -5.956 343 HG1 THR 48 HG1 THR 48 -3.809 2.784 -7.543 344 HG21 THR 48 HG21 THR 48 -0.492 3.028 -8.278 345 HG22 THR 48 HG22 THR 48 0.131 1.989 -6.995 346 HG23 THR 48 HG23 THR 48 -0.436 3.617 -6.618 347 H PHE 49 HN PHE 49 -2.457 -1.411 -6.992 348 HA PHE 49 HA PHE 49 -5.381 -1.232 -6.636 349 HB2 PHE 49 HB2 PHE 49 -5.489 -3.613 -7.382 350 HB3 PHE 49 HB1 PHE 49 -4.955 -2.514 -8.648 351 HD1 PHE 49 HD1 PHE 49 -3.868 -5.098 -6.273 352 HD2 PHE 49 HD2 PHE 49 -2.787 -2.695 -9.603 353 HE1 PHE 49 HE1 PHE 49 -1.863 -6.482 -6.607 354 HE2 PHE 49 HE2 PHE 49 -0.777 -4.068 -9.943 355 HZ PHE 49 HZ PHE 49 -0.311 -5.963 -8.444 356 H ASP 50 HN ASP 50 -6.237 -2.903 -5.105 357 HA ASP 50 HA ASP 50 -4.169 -3.563 -3.124 358 HB2 ASP 50 HB2 ASP 50 -6.136 -2.126 -2.394 359 HB3 ASP 50 HB1 ASP 50 -7.139 -3.563 -2.601 360 H VAL 51 HN VAL 51 -4.228 -5.658 -2.140 361 HA VAL 51 HA VAL 51 -5.207 -7.646 -4.063 362 HB VAL 51 HB VAL 51 -2.980 -7.923 -2.039 363 HG11 VAL 51 HG11 VAL 51 -4.097 -10.044 -2.499 364 HG12 VAL 51 HG12 VAL 51 -2.475 -10.021 -3.190 365 HG13 VAL 51 HG13 VAL 51 -3.880 -9.790 -4.231 366 HG21 VAL 51 HG21 VAL 51 -2.880 -7.572 -5.033 367 HG22 VAL 51 HG22 VAL 51 -1.494 -7.899 -3.993 368 HG23 VAL 51 HG23 VAL 51 -2.385 -6.386 -3.824 369 H GLU 52 HN GLU 52 -7.069 -8.434 -3.442 370 HA GLU 52 HA GLU 52 -7.731 -8.841 -0.661 371 HB2 GLU 52 HB2 GLU 52 -9.493 -8.172 -2.230 372 HB3 GLU 52 HB1 GLU 52 -9.191 -9.600 -3.208 373 HG2 GLU 52 HG2 GLU 52 -9.949 -11.026 -1.402 374 HG3 GLU 52 HG1 GLU 52 -10.193 -9.620 -0.368 375 H GLU 53 HN GLU 53 -6.316 -10.348 0.146 376 HA GLU 53 HA GLU 53 -5.825 -12.828 -1.189 377 HB2 GLU 53 HB2 GLU 53 -4.834 -13.478 1.076 378 HB3 GLU 53 HB1 GLU 53 -4.082 -12.130 0.236 379 HG2 GLU 53 HG2 GLU 53 -5.298 -10.563 1.653 380 HG3 GLU 53 HG1 GLU 53 -6.064 -11.913 2.489 381 H GLY 54 HN GLY 54 -7.757 -13.753 -1.627 382 HA2 GLY 54 HA2 GLY 54 -9.355 -14.609 0.702 383 HA3 GLY 54 HA1 GLY 54 -10.073 -14.166 -0.841 384 H GLN 55 HN GLN 55 -11.029 -16.089 -1.331 385 HA GLN 55 HA GLN 55 -9.613 -18.565 -0.957 386 HB2 GLN 55 HB2 GLN 55 -12.051 -18.355 -0.540 387 HB3 GLN 55 HB1 GLN 55 -12.296 -18.087 -2.261 388 HG2 GLN 55 HG2 GLN 55 -12.790 -20.380 -1.667 389 HG3 GLN 55 HG1 GLN 55 -11.395 -20.301 -2.741 390 HE21 GLN 55 HE21 GLN 55 -12.506 -20.940 0.478 391 HE22 GLN 55 HE22 GLN 55 -11.053 -21.691 1.057 392 H ARG 56 HN ARG 56 -7.865 -18.109 -2.344 393 HA ARG 56 HA ARG 56 -7.537 -19.722 -4.420 394 HB2 ARG 56 HB2 ARG 56 -8.741 -17.198 -5.488 395 HB3 ARG 56 HB1 ARG 56 -7.425 -17.930 -6.389 396 HG2 ARG 56 HG2 ARG 56 -10.154 -19.027 -5.823 397 HG3 ARG 56 HG1 ARG 56 -9.369 -18.757 -7.378 398 HD2 ARG 56 HD2 ARG 56 -8.521 -20.809 -5.337 399 HD3 ARG 56 HD1 ARG 56 -9.510 -21.146 -6.755 400 HE ARG 56 HE ARG 56 -6.899 -19.938 -7.235 401 HH11 ARG 56 HH11 ARG 56 -8.890 -22.822 -7.200 402 HH12 ARG 56 HH12 ARG 56 -7.769 -23.768 -8.132 403 HH21 ARG 56 HH21 ARG 56 -5.425 -21.157 -8.464 404 HH22 ARG 56 HH22 ARG 56 -5.799 -22.805 -8.871 405 H GLY 57 HN GLY 57 -6.970 -16.480 -3.294 406 HA2 GLY 57 HA2 GLY 57 -4.539 -16.360 -2.449 407 HA3 GLY 57 HA1 GLY 57 -4.164 -16.634 -4.146 408 HA PRO 58 HA PRO 58 -4.256 -12.170 -4.161 409 HB2 PRO 58 HB2 PRO 58 -3.173 -12.226 -6.815 410 HB3 PRO 58 HB1 PRO 58 -2.335 -11.870 -5.305 411 HG2 PRO 58 HG2 PRO 58 -1.877 -14.095 -6.859 412 HG3 PRO 58 HG1 PRO 58 -1.507 -13.979 -5.130 413 HD2 PRO 58 HD2 PRO 58 -3.844 -15.258 -6.492 414 HD3 PRO 58 HD1 PRO 58 -2.932 -15.800 -5.065 415 H GLN 59 HN GLN 59 -6.436 -11.723 -4.323 416 HA GLN 59 HA GLN 59 -7.600 -11.700 -7.021 417 HB2 GLN 59 HB2 GLN 59 -8.869 -11.449 -4.286 418 HB3 GLN 59 HB1 GLN 59 -9.754 -11.288 -5.798 419 HG2 GLN 59 HG2 GLN 59 -9.446 -13.540 -6.350 420 HG3 GLN 59 HG1 GLN 59 -8.164 -13.747 -5.159 421 HE21 GLN 59 HE21 GLN 59 -11.063 -12.004 -4.371 422 HE22 GLN 59 HE22 GLN 59 -11.731 -13.202 -3.321 423 H ALA 60 HN ALA 60 -7.803 -9.807 -8.072 424 HA ALA 60 HA ALA 60 -6.719 -7.440 -6.876 425 HB1 ALA 60 HB1 ALA 60 -7.067 -6.399 -9.025 426 HB2 ALA 60 HB2 ALA 60 -8.108 -7.726 -9.536 427 HB3 ALA 60 HB3 ALA 60 -6.390 -8.009 -9.260 428 H ALA 61 HN ALA 61 -7.808 -6.169 -5.557 429 HA ALA 61 HA ALA 61 -10.597 -5.526 -6.202 430 HB1 ALA 61 HB1 ALA 61 -11.201 -5.632 -3.824 431 HB2 ALA 61 HB2 ALA 61 -9.586 -6.232 -3.447 432 HB3 ALA 61 HB3 ALA 61 -10.678 -7.202 -4.434 433 H ASN 62 HN ASN 62 -11.162 -3.436 -5.813 434 HA ASN 62 HA ASN 62 -10.914 -1.203 -5.575 435 HB2 ASN 62 HB2 ASN 62 -9.029 -1.990 -3.336 436 HB3 ASN 62 HB1 ASN 62 -9.648 -0.366 -3.609 437 HD21 ASN 62 HD21 ASN 62 -10.367 -3.552 -2.488 438 HD22 ASN 62 HD22 ASN 62 -11.902 -3.187 -1.783 439 H VAL 63 HN VAL 63 -9.995 -0.924 -7.596 440 HA VAL 63 HA VAL 63 -7.052 -0.716 -7.635 441 HB VAL 63 HB VAL 63 -8.834 -1.050 -10.050 442 HG11 VAL 63 HG11 VAL 63 -6.694 -0.063 -10.550 443 HG12 VAL 63 HG12 VAL 63 -6.719 -1.723 -11.144 444 HG13 VAL 63 HG13 VAL 63 -5.859 -1.330 -9.654 445 HG21 VAL 63 HG21 VAL 63 -7.322 -3.182 -8.542 446 HG22 VAL 63 HG22 VAL 63 -8.130 -3.405 -10.095 447 HG23 VAL 63 HG23 VAL 63 -9.074 -3.026 -8.655 448 H GLN 64 HN GLN 64 -6.167 1.212 -8.059 449 HA GLN 64 HA GLN 64 -7.891 3.327 -9.162 450 HB2 GLN 64 HB2 GLN 64 -7.593 3.624 -6.718 451 HB3 GLN 64 HB1 GLN 64 -5.851 3.650 -6.949 452 HG2 GLN 64 HG2 GLN 64 -6.773 5.891 -6.666 453 HG3 GLN 64 HG1 GLN 64 -6.022 5.688 -8.250 454 HE21 GLN 64 HE21 GLN 64 -8.998 6.074 -6.512 455 HE22 GLN 64 HE22 GLN 64 -9.993 6.443 -7.881 456 H LYS 65 HN LYS 65 -6.866 4.810 -10.531 457 HA LYS 65 HA LYS 65 -4.632 3.853 -11.984 458 HB2 LYS 65 HB2 LYS 65 -6.057 6.507 -11.933 459 HB3 LYS 65 HB1 LYS 65 -4.671 6.214 -12.973 460 HG2 LYS 65 HG2 LYS 65 -5.850 4.446 -14.118 461 HG3 LYS 65 HG1 LYS 65 -7.222 4.613 -13.019 462 HD2 LYS 65 HD2 LYS 65 -7.749 6.762 -13.863 463 HD3 LYS 65 HD1 LYS 65 -6.221 6.871 -14.736 464 HE2 LYS 65 HE2 LYS 65 -8.396 4.868 -15.329 465 HE3 LYS 65 HE1 LYS 65 -8.176 6.390 -16.191 466 HZ1 LYS 65 HZ1 LYS 65 -5.901 5.601 -16.766 467 HZ2 LYS 65 HZ2 LYS 65 -7.143 4.683 -17.451 468 HZ3 LYS 65 HZ3 LYS 65 -6.297 4.089 -16.110 469 H ALA 66 HN ALA 66 -2.506 4.561 -12.039 470 HA ALA 66 HA ALA 66 -1.373 5.254 -9.544 471 HB1 ALA 66 HB1 ALA 66 -0.205 3.866 -11.180 472 HB2 ALA 66 HB2 ALA 66 0.757 5.278 -10.737 473 HB3 ALA 66 HB3 ALA 66 -0.100 5.241 -12.280 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 3.697 -3.959 -0.665 2 H2 MET 1 HT2 MET 1 2.510 -2.800 -0.309 3 H3 MET 1 HT3 MET 1 4.130 -2.482 0.050 4 HA MET 1 HA MET 1 3.604 -1.264 -1.871 5 HB2 MET 1 HB2 MET 1 5.109 -3.794 -2.576 6 HB3 MET 1 HB1 MET 1 5.077 -2.349 -3.578 7 HG2 MET 1 HG2 MET 1 6.108 -1.075 -1.750 8 HG3 MET 1 HG1 MET 1 6.176 -2.546 -0.778 9 HE1 MET 1 HE1 MET 1 8.759 -2.291 -0.366 10 HE2 MET 1 HE2 MET 1 8.736 -0.776 -1.267 11 HE3 MET 1 HE3 MET 1 9.936 -2.009 -1.652 12 H GLU 2 HN GLU 2 1.777 -0.944 -2.886 13 HA GLU 2 HA GLU 2 0.359 -3.266 -3.995 14 HB2 GLU 2 HB2 GLU 2 -1.691 -1.799 -3.757 15 HB3 GLU 2 HB1 GLU 2 -0.953 -2.342 -2.261 16 HG2 GLU 2 HG2 GLU 2 -0.355 0.350 -3.442 17 HG3 GLU 2 HG1 GLU 2 -1.729 0.074 -2.375 18 H GLN 3 HN GLN 3 2.381 -1.298 -5.201 19 HA GLN 3 HA GLN 3 0.840 -0.263 -7.443 20 HB2 GLN 3 HB2 GLN 3 2.722 1.062 -6.607 21 HB3 GLN 3 HB1 GLN 3 3.820 -0.277 -6.909 22 HG2 GLN 3 HG2 GLN 3 3.237 -0.106 -9.329 23 HG3 GLN 3 HG1 GLN 3 2.333 1.358 -8.947 24 HE21 GLN 3 HE21 GLN 3 4.283 2.137 -6.881 25 HE22 GLN 3 HE22 GLN 3 5.654 2.738 -7.743 26 H GLY 4 HN GLY 4 0.313 -1.559 -9.090 27 HA2 GLY 4 HA2 GLY 4 2.187 -3.728 -9.784 28 HA3 GLY 4 HA1 GLY 4 0.469 -4.050 -9.609 29 H THR 5 HN THR 5 2.128 -4.452 -11.936 30 HA THR 5 HA THR 5 1.123 -2.429 -13.806 31 HB THR 5 HB THR 5 2.881 -4.762 -14.547 32 HG1 THR 5 HG1 THR 5 4.074 -3.869 -12.941 33 HG21 THR 5 HG21 THR 5 2.622 -1.954 -15.628 34 HG22 THR 5 HG22 THR 5 1.952 -3.411 -16.361 35 HG23 THR 5 HG23 THR 5 3.700 -3.203 -16.250 36 H VAL 6 HN VAL 6 -0.581 -2.843 -15.115 37 HA VAL 6 HA VAL 6 -1.943 -5.375 -14.911 38 HB VAL 6 HB VAL 6 -2.580 -2.987 -16.659 39 HG11 VAL 6 HG11 VAL 6 -3.620 -5.042 -17.465 40 HG12 VAL 6 HG12 VAL 6 -4.828 -3.947 -16.792 41 HG13 VAL 6 HG13 VAL 6 -4.287 -5.345 -15.862 42 HG21 VAL 6 HG21 VAL 6 -2.600 -2.392 -14.302 43 HG22 VAL 6 HG22 VAL 6 -3.643 -3.767 -13.944 44 HG23 VAL 6 HG23 VAL 6 -4.245 -2.439 -14.934 45 H LYS 7 HN LYS 7 -1.448 -7.091 -16.115 46 HA LYS 7 HA LYS 7 0.206 -6.890 -18.445 47 HB2 LYS 7 HB2 LYS 7 -1.270 -9.202 -17.191 48 HB3 LYS 7 HB1 LYS 7 -0.359 -9.368 -18.682 49 HG2 LYS 7 HG2 LYS 7 1.619 -8.436 -17.323 50 HG3 LYS 7 HG1 LYS 7 0.641 -8.841 -15.911 51 HD2 LYS 7 HD2 LYS 7 0.495 -11.152 -16.641 52 HD3 LYS 7 HD1 LYS 7 1.377 -10.766 -18.116 53 HE2 LYS 7 HE2 LYS 7 2.958 -11.751 -16.685 54 HE3 LYS 7 HE1 LYS 7 3.276 -10.018 -16.609 55 HZ1 LYS 7 HZ1 LYS 7 1.900 -11.704 -14.595 56 HZ2 LYS 7 HZ2 LYS 7 1.873 -10.009 -14.556 57 HZ3 LYS 7 HZ3 LYS 7 3.346 -10.830 -14.418 58 H TRP 8 HN TRP 8 -3.060 -8.232 -18.012 59 HA TRP 8 HA TRP 8 -3.871 -7.079 -20.555 60 HB2 TRP 8 HB2 TRP 8 -3.759 -10.038 -20.004 61 HB3 TRP 8 HB1 TRP 8 -4.864 -9.361 -21.197 62 HD1 TRP 8 HD1 TRP 8 -1.340 -10.507 -20.785 63 HE1 TRP 8 HE1 TRP 8 0.010 -10.014 -22.925 64 HE3 TRP 8 HE3 TRP 8 -4.682 -7.458 -23.157 65 HZ2 TRP 8 HZ2 TRP 8 -0.315 -8.529 -25.301 66 HZ3 TRP 8 HZ3 TRP 8 -4.086 -6.542 -25.360 67 HH2 TRP 8 HH2 TRP 8 -1.946 -7.068 -26.408 68 H PHE 9 HN PHE 9 -6.168 -7.280 -20.953 69 HA PHE 9 HA PHE 9 -7.712 -7.582 -18.478 70 HB2 PHE 9 HB2 PHE 9 -9.244 -5.804 -19.458 71 HB3 PHE 9 HB1 PHE 9 -7.673 -5.253 -18.896 72 HD1 PHE 9 HD1 PHE 9 -5.878 -4.772 -20.585 73 HD2 PHE 9 HD2 PHE 9 -9.921 -5.506 -21.695 74 HE1 PHE 9 HE1 PHE 9 -5.466 -3.720 -22.770 75 HE2 PHE 9 HE2 PHE 9 -9.510 -4.463 -23.884 76 HZ PHE 9 HZ PHE 9 -7.281 -3.570 -24.423 77 H ASN 10 HN ASN 10 -8.778 -9.424 -18.660 78 HA ASN 10 HA ASN 10 -9.695 -10.354 -21.245 79 HB2 ASN 10 HB2 ASN 10 -9.965 -11.604 -18.497 80 HB3 ASN 10 HB1 ASN 10 -10.478 -12.357 -20.001 81 HD21 ASN 10 HD21 ASN 10 -9.120 -14.102 -19.773 82 HD22 ASN 10 HD22 ASN 10 -7.402 -13.985 -19.941 83 H ALA 11 HN ALA 11 -11.117 -8.545 -21.568 84 HA ALA 11 HA ALA 11 -13.317 -7.949 -19.913 85 HB1 ALA 11 HB1 ALA 11 -12.462 -6.418 -21.635 86 HB2 ALA 11 HB2 ALA 11 -14.193 -6.710 -21.809 87 HB3 ALA 11 HB3 ALA 11 -13.053 -7.511 -22.890 88 H GLU 12 HN GLU 12 -12.837 -10.375 -22.352 89 HA GLU 12 HA GLU 12 -15.595 -11.035 -22.680 90 HB2 GLU 12 HB2 GLU 12 -13.034 -12.446 -23.407 91 HB3 GLU 12 HB1 GLU 12 -14.618 -13.142 -23.721 92 HG2 GLU 12 HG2 GLU 12 -13.596 -10.522 -24.790 93 HG3 GLU 12 HG1 GLU 12 -13.741 -12.032 -25.692 94 H LYS 13 HN LYS 13 -13.358 -11.606 -20.227 95 HA LYS 13 HA LYS 13 -14.843 -13.964 -19.287 96 HB2 LYS 13 HB2 LYS 13 -12.036 -13.025 -18.713 97 HB3 LYS 13 HB1 LYS 13 -12.829 -14.293 -17.788 98 HG2 LYS 13 HG2 LYS 13 -12.394 -14.387 -20.764 99 HG3 LYS 13 HG1 LYS 13 -11.327 -15.132 -19.571 100 HD2 LYS 13 HD2 LYS 13 -14.265 -15.762 -19.893 101 HD3 LYS 13 HD1 LYS 13 -12.947 -16.727 -20.568 102 HE2 LYS 13 HE2 LYS 13 -12.094 -17.143 -18.318 103 HE3 LYS 13 HE1 LYS 13 -13.384 -16.152 -17.637 104 HZ1 LYS 13 HZ1 LYS 13 -13.878 -18.518 -17.493 105 HZ2 LYS 13 HZ2 LYS 13 -13.783 -18.657 -19.182 106 HZ3 LYS 13 HZ3 LYS 13 -15.003 -17.715 -18.476 107 H GLY 14 HN GLY 14 -13.790 -10.730 -18.473 108 HA2 GLY 14 HA2 GLY 14 -15.177 -9.361 -17.089 109 HA3 GLY 14 HA1 GLY 14 -15.676 -10.803 -16.218 110 H PHE 15 HN PHE 15 -12.322 -10.530 -16.923 111 HA PHE 15 HA PHE 15 -11.691 -9.189 -14.444 112 HB2 PHE 15 HB2 PHE 15 -10.353 -11.072 -13.531 113 HB3 PHE 15 HB1 PHE 15 -12.079 -11.403 -13.559 114 HD1 PHE 15 HD2 PHE 15 -8.905 -12.071 -15.364 115 HD2 PHE 15 HD1 PHE 15 -12.911 -13.300 -14.618 116 HE1 PHE 15 HE2 PHE 15 -8.473 -14.183 -16.546 117 HE2 PHE 15 HE1 PHE 15 -12.482 -15.418 -15.791 118 HZ PHE 15 HZ PHE 15 -10.261 -15.860 -16.758 119 H GLY 16 HN GLY 16 -9.212 -9.263 -14.103 120 HA2 GLY 16 HA2 GLY 16 -7.797 -9.412 -16.674 121 HA3 GLY 16 HA1 GLY 16 -7.767 -7.899 -15.779 122 H PHE 17 HN PHE 17 -5.379 -8.860 -16.254 123 HA PHE 17 HA PHE 17 -4.599 -10.230 -13.766 124 HB2 PHE 17 HB2 PHE 17 -3.378 -10.482 -16.519 125 HB3 PHE 17 HB1 PHE 17 -2.643 -11.126 -15.057 126 HD1 PHE 17 HD1 PHE 17 -3.760 -12.951 -13.821 127 HD2 PHE 17 HD2 PHE 17 -5.160 -11.602 -17.606 128 HE1 PHE 17 HE1 PHE 17 -5.047 -15.031 -14.080 129 HE2 PHE 17 HE2 PHE 17 -6.453 -13.677 -17.871 130 HZ PHE 17 HZ PHE 17 -6.400 -15.395 -16.106 131 H ILE 18 HN ILE 18 -3.608 -8.885 -12.458 132 HA ILE 18 HA ILE 18 -1.818 -6.822 -13.563 133 HB ILE 18 HB ILE 18 -2.759 -7.127 -10.693 134 HG12 ILE 18 HG12 ILE 18 -3.853 -5.335 -12.873 135 HG13 ILE 18 HG11 ILE 18 -4.675 -6.728 -12.180 136 HG21 ILE 18 HG21 ILE 18 -2.028 -4.809 -10.445 137 HG22 ILE 18 HG22 ILE 18 -1.497 -4.794 -12.127 138 HG23 ILE 18 HG23 ILE 18 -0.697 -5.845 -10.959 139 HD11 ILE 18 HD11 ILE 18 -3.929 -4.208 -10.719 140 HD12 ILE 18 HD12 ILE 18 -4.746 -5.602 -10.016 141 HD13 ILE 18 HD13 ILE 18 -5.541 -4.657 -11.275 142 H GLU 19 HN GLU 19 0.340 -6.619 -12.297 143 HA GLU 19 HA GLU 19 1.123 -9.245 -11.245 144 HB2 GLU 19 HB2 GLU 19 3.313 -9.023 -12.378 145 HB3 GLU 19 HB1 GLU 19 1.961 -9.183 -13.485 146 HG2 GLU 19 HG2 GLU 19 3.058 -7.523 -14.542 147 HG3 GLU 19 HG1 GLU 19 2.113 -6.532 -13.434 148 H ARG 20 HN ARG 20 3.148 -9.192 -9.996 149 HA ARG 20 HA ARG 20 3.473 -6.646 -8.565 150 HB2 ARG 20 HB2 ARG 20 2.177 -8.748 -7.489 151 HB3 ARG 20 HB1 ARG 20 3.826 -9.194 -7.075 152 HG2 ARG 20 HG2 ARG 20 4.124 -7.092 -5.889 153 HG3 ARG 20 HG1 ARG 20 2.499 -6.586 -6.356 154 HD2 ARG 20 HD2 ARG 20 2.529 -7.438 -4.067 155 HD3 ARG 20 HD1 ARG 20 1.550 -8.462 -5.117 156 HE ARG 20 HE ARG 20 4.341 -9.207 -4.575 157 HH11 ARG 20 HH11 ARG 20 0.918 -9.851 -4.214 158 HH12 ARG 20 HH12 ARG 20 1.143 -11.484 -3.667 159 HH21 ARG 20 HH21 ARG 20 4.652 -11.341 -3.850 160 HH22 ARG 20 HH22 ARG 20 3.285 -12.331 -3.448 161 H GLU 21 HN GLU 21 5.512 -7.671 -6.818 162 HA GLU 21 HA GLU 21 7.705 -7.053 -8.469 163 HB2 GLU 21 HB2 GLU 21 9.066 -7.212 -6.534 164 HB3 GLU 21 HB1 GLU 21 7.523 -6.561 -6.012 165 HG2 GLU 21 HG2 GLU 21 8.359 -9.437 -5.719 166 HG3 GLU 21 HG1 GLU 21 8.478 -8.213 -4.458 167 H ASN 22 HN ASN 22 6.523 -10.132 -7.217 168 HA ASN 22 HA ASN 22 8.823 -11.532 -8.352 169 HB2 ASN 22 HB2 ASN 22 6.462 -12.536 -6.750 170 HB3 ASN 22 HB1 ASN 22 7.785 -13.548 -7.316 171 HD21 ASN 22 HD21 ASN 22 6.896 -13.011 -4.609 172 HD22 ASN 22 HD22 ASN 22 8.258 -12.342 -3.775 173 H GLY 23 HN GLY 23 6.452 -10.240 -9.881 174 HA2 GLY 23 HA2 GLY 23 5.304 -10.745 -11.830 175 HA3 GLY 23 HA1 GLY 23 6.110 -12.312 -11.836 176 H ASP 24 HN ASP 24 4.506 -11.380 -8.984 177 HA ASP 24 HA ASP 24 2.756 -13.617 -9.086 178 HB2 ASP 24 HB2 ASP 24 3.799 -12.576 -7.007 179 HB3 ASP 24 HB1 ASP 24 2.600 -11.297 -7.155 180 H ASP 25 HN ASP 25 1.426 -13.375 -10.843 181 HA ASP 25 HA ASP 25 -0.054 -11.105 -11.498 182 HB2 ASP 25 HB2 ASP 25 -0.444 -14.021 -12.087 183 HB3 ASP 25 HB1 ASP 25 -1.634 -12.831 -12.604 184 H VAL 26 HN VAL 26 -1.608 -10.119 -10.544 185 HA VAL 26 HA VAL 26 -3.113 -11.404 -8.392 186 HB VAL 26 HB VAL 26 -3.058 -8.481 -9.183 187 HG11 VAL 26 HG11 VAL 26 -3.955 -8.102 -6.942 188 HG12 VAL 26 HG12 VAL 26 -3.997 -9.842 -6.667 189 HG13 VAL 26 HG13 VAL 26 -5.025 -9.120 -7.904 190 HG21 VAL 26 HG21 VAL 26 -1.516 -8.146 -7.310 191 HG22 VAL 26 HG22 VAL 26 -0.823 -9.211 -8.532 192 HG23 VAL 26 HG23 VAL 26 -1.468 -9.887 -7.037 193 H PHE 27 HN PHE 27 -5.236 -11.831 -8.556 194 HA PHE 27 HA PHE 27 -6.437 -11.670 -11.183 195 HB2 PHE 27 HB2 PHE 27 -6.485 -13.702 -9.688 196 HB3 PHE 27 HB1 PHE 27 -7.573 -12.821 -8.625 197 HD1 PHE 27 HD2 PHE 27 -7.202 -14.385 -11.924 198 HD2 PHE 27 HD1 PHE 27 -9.874 -12.566 -9.159 199 HE1 PHE 27 HE2 PHE 27 -9.112 -15.206 -13.237 200 HE2 PHE 27 HE1 PHE 27 -11.788 -13.388 -10.463 201 HZ PHE 27 HZ PHE 27 -11.409 -14.709 -12.504 202 H VAL 28 HN VAL 28 -7.157 -9.600 -11.617 203 HA VAL 28 HA VAL 28 -8.705 -8.245 -9.527 204 HB VAL 28 HB VAL 28 -6.872 -6.959 -10.537 205 HG11 VAL 28 HG11 VAL 28 -6.873 -7.896 -12.774 206 HG12 VAL 28 HG12 VAL 28 -7.034 -6.142 -12.837 207 HG13 VAL 28 HG13 VAL 28 -8.444 -7.166 -13.098 208 HG21 VAL 28 HG21 VAL 28 -8.783 -5.773 -9.620 209 HG22 VAL 28 HG22 VAL 28 -9.615 -5.878 -11.173 210 HG23 VAL 28 HG23 VAL 28 -8.142 -4.917 -11.025 211 H HIS 29 HN HIS 29 -10.812 -7.728 -9.736 212 HA HIS 29 HA HIS 29 -12.244 -8.812 -12.058 213 HB2 HIS 29 HB2 HIS 29 -12.967 -8.263 -9.219 214 HB3 HIS 29 HB1 HIS 29 -14.240 -8.099 -10.421 215 HD1 HIS 29 HD1 HIS 29 -12.600 -10.561 -8.326 216 HD2 HIS 29 HD2 HIS 29 -14.618 -10.583 -11.957 217 HE1 HIS 29 HE1 HIS 29 -13.313 -12.940 -8.686 218 HE2 HIS 29 HE2 HIS 29 -14.778 -12.853 -10.735 219 H PHE 30 HN PHE 30 -13.456 -7.517 -13.405 220 HA PHE 30 HA PHE 30 -12.824 -4.761 -13.521 221 HB2 PHE 30 HB2 PHE 30 -14.934 -6.371 -14.954 222 HB3 PHE 30 HB1 PHE 30 -14.648 -4.661 -15.264 223 HD1 PHE 30 HD2 PHE 30 -11.727 -4.499 -15.174 224 HD2 PHE 30 HD1 PHE 30 -14.254 -7.469 -16.873 225 HE1 PHE 30 HE2 PHE 30 -9.957 -5.079 -16.782 226 HE2 PHE 30 HE1 PHE 30 -12.488 -8.055 -18.480 227 HZ PHE 30 HZ PHE 30 -10.339 -6.860 -18.437 228 H SER 31 HN SER 31 -15.389 -6.539 -12.004 229 HA SER 31 HA SER 31 -17.077 -4.299 -11.487 230 HB2 SER 31 HB2 SER 31 -17.899 -6.622 -11.417 231 HB3 SER 31 HB1 SER 31 -16.856 -6.951 -10.035 232 HG SER 31 HG SER 31 -18.639 -6.418 -9.015 233 H ALA 32 HN ALA 32 -14.112 -5.364 -10.180 234 HA ALA 32 HA ALA 32 -14.453 -3.848 -7.705 235 HB1 ALA 32 HB1 ALA 32 -12.114 -5.506 -8.650 236 HB2 ALA 32 HB2 ALA 32 -13.375 -6.038 -7.539 237 HB3 ALA 32 HB3 ALA 32 -12.272 -4.745 -7.067 238 H ILE 33 HN ILE 33 -13.134 -3.610 -10.857 239 HA ILE 33 HA ILE 33 -11.414 -1.364 -10.274 240 HB ILE 33 HB ILE 33 -12.407 -2.382 -12.948 241 HG12 ILE 33 HG12 ILE 33 -9.809 -2.901 -11.490 242 HG13 ILE 33 HG11 ILE 33 -11.085 -4.076 -11.771 243 HG21 ILE 33 HG21 ILE 33 -10.173 -0.473 -12.270 244 HG22 ILE 33 HG22 ILE 33 -11.688 -0.071 -13.078 245 HG23 ILE 33 HG23 ILE 33 -10.511 -1.115 -13.876 246 HD11 ILE 33 HD11 ILE 33 -10.683 -3.982 -14.158 247 HD12 ILE 33 HD12 ILE 33 -9.191 -4.359 -13.295 248 HD13 ILE 33 HD13 ILE 33 -9.462 -2.733 -13.920 249 H GLN 34 HN GLN 34 -11.947 0.746 -10.382 250 HA GLN 34 HA GLN 34 -14.671 1.532 -10.579 251 HB2 GLN 34 HB2 GLN 34 -13.652 3.881 -10.546 252 HB3 GLN 34 HB1 GLN 34 -13.370 2.859 -9.144 253 HG2 GLN 34 HG2 GLN 34 -11.141 2.384 -9.851 254 HG3 GLN 34 HG1 GLN 34 -11.411 3.178 -11.402 255 HE21 GLN 34 HE21 GLN 34 -9.432 3.681 -9.307 256 HE22 GLN 34 HE22 GLN 34 -9.614 5.359 -8.890 257 H GLY 35 HN GLY 35 -15.411 0.899 -12.593 258 HA2 GLY 35 HA2 GLY 35 -14.064 1.777 -14.998 259 HA3 GLY 35 HA1 GLY 35 -15.555 0.847 -14.909 260 H ASP 36 HN ASP 36 -14.445 4.084 -13.911 261 HA ASP 36 HA ASP 36 -16.979 5.286 -14.290 262 HB2 ASP 36 HB2 ASP 36 -15.616 7.463 -14.256 263 HB3 ASP 36 HB1 ASP 36 -15.570 6.445 -12.823 264 H GLY 37 HN GLY 37 -14.037 6.031 -16.183 265 HA2 GLY 37 HA2 GLY 37 -15.793 6.315 -18.539 266 HA3 GLY 37 HA1 GLY 37 -14.224 7.086 -18.346 267 H PHE 38 HN PHE 38 -13.266 4.436 -17.184 268 HA PHE 38 HA PHE 38 -13.027 2.952 -19.709 269 HB2 PHE 38 HB2 PHE 38 -10.806 3.649 -17.777 270 HB3 PHE 38 HB1 PHE 38 -10.653 2.438 -19.045 271 HD1 PHE 38 HD1 PHE 38 -10.546 3.084 -21.379 272 HD2 PHE 38 HD2 PHE 38 -10.848 6.002 -18.296 273 HE1 PHE 38 HE1 PHE 38 -9.877 4.834 -22.975 274 HE2 PHE 38 HE2 PHE 38 -10.179 7.757 -19.887 275 HZ PHE 38 HZ PHE 38 -9.695 7.172 -22.229 276 H LYS 39 HN LYS 39 -13.506 0.868 -19.528 277 HA LYS 39 HA LYS 39 -14.060 -0.222 -16.896 278 HB2 LYS 39 HB2 LYS 39 -14.931 -0.740 -19.618 279 HB3 LYS 39 HB1 LYS 39 -14.502 -2.225 -18.783 280 HG2 LYS 39 HG2 LYS 39 -16.836 -1.832 -18.489 281 HG3 LYS 39 HG1 LYS 39 -16.026 -1.575 -16.944 282 HD2 LYS 39 HD2 LYS 39 -16.067 0.847 -17.334 283 HD3 LYS 39 HD1 LYS 39 -16.908 0.583 -18.865 284 HE2 LYS 39 HE2 LYS 39 -18.739 -0.517 -17.612 285 HE3 LYS 39 HE1 LYS 39 -17.906 -0.125 -16.109 286 HZ1 LYS 39 HZ1 LYS 39 -18.082 2.240 -16.729 287 HZ2 LYS 39 HZ2 LYS 39 -19.592 1.497 -16.525 288 HZ3 LYS 39 HZ3 LYS 39 -19.006 1.803 -18.085 289 H SER 40 HN SER 40 -11.336 0.036 -18.659 290 HA SER 40 HA SER 40 -10.081 -2.225 -17.379 291 HB2 SER 40 HB2 SER 40 -10.115 -2.026 -20.405 292 HB3 SER 40 HB1 SER 40 -9.208 -3.203 -19.458 293 HG SER 40 HG SER 40 -11.722 -3.325 -18.653 294 H LEU 41 HN LEU 41 -7.712 -2.201 -17.722 295 HA LEU 41 HA LEU 41 -6.758 0.541 -18.172 296 HB2 LEU 41 HB2 LEU 41 -5.680 -1.693 -16.457 297 HB3 LEU 41 HB1 LEU 41 -4.712 -0.296 -16.880 298 HG LEU 41 HG LEU 41 -5.548 0.089 -14.703 299 HD11 LEU 41 HD11 LEU 41 -5.608 2.045 -16.116 300 HD12 LEU 41 HD12 LEU 41 -6.958 2.077 -14.981 301 HD13 LEU 41 HD13 LEU 41 -7.230 1.633 -16.667 302 HD21 LEU 41 HD21 LEU 41 -7.328 -1.563 -14.665 303 HD22 LEU 41 HD22 LEU 41 -8.303 -0.564 -15.745 304 HD23 LEU 41 HD23 LEU 41 -7.923 0.004 -14.117 305 H ASP 42 HN ASP 42 -4.572 0.722 -19.082 306 HA ASP 42 HA ASP 42 -4.351 -0.733 -21.505 307 HB2 ASP 42 HB2 ASP 42 -2.337 1.083 -20.162 308 HB3 ASP 42 HB1 ASP 42 -2.261 0.533 -21.832 309 H GLU 43 HN GLU 43 -2.546 -2.014 -22.209 310 HA GLU 43 HA GLU 43 -1.627 -3.855 -20.204 311 HB2 GLU 43 HB2 GLU 43 -0.204 -4.507 -22.451 312 HB3 GLU 43 HB1 GLU 43 -1.779 -5.153 -22.026 313 HG2 GLU 43 HG2 GLU 43 -1.857 -4.498 -24.296 314 HG3 GLU 43 HG1 GLU 43 -2.811 -3.336 -23.381 315 H GLY 44 HN GLY 44 -0.096 -3.268 -18.866 316 HA2 GLY 44 HA2 GLY 44 2.246 -2.795 -18.500 317 HA3 GLY 44 HA1 GLY 44 2.215 -1.775 -19.933 318 H GLN 45 HN GLN 45 -0.598 -1.318 -18.245 319 HA GLN 45 HA GLN 45 0.240 1.272 -17.291 320 HB2 GLN 45 HB2 GLN 45 -1.981 0.860 -18.361 321 HB3 GLN 45 HB1 GLN 45 -2.430 -0.116 -16.970 322 HG2 GLN 45 HG2 GLN 45 -3.392 2.068 -16.753 323 HG3 GLN 45 HG1 GLN 45 -2.148 1.855 -15.526 324 HE21 GLN 45 HE21 GLN 45 -1.428 2.488 -18.885 325 HE22 GLN 45 HE22 GLN 45 -0.810 4.083 -18.646 326 H ALA 46 HN ALA 46 0.784 1.798 -15.251 327 HA ALA 46 HA ALA 46 0.624 -0.319 -13.218 328 HB1 ALA 46 HB1 ALA 46 2.382 0.864 -12.047 329 HB2 ALA 46 HB2 ALA 46 2.303 2.186 -13.211 330 HB3 ALA 46 HB3 ALA 46 2.860 0.593 -13.724 331 H VAL 47 HN VAL 47 -0.681 -0.137 -11.540 332 HA VAL 47 HA VAL 47 -1.732 2.504 -10.800 333 HB VAL 47 HB VAL 47 -3.988 1.482 -10.455 334 HG11 VAL 47 HG11 VAL 47 -2.968 1.448 -13.291 335 HG12 VAL 47 HG12 VAL 47 -3.544 2.862 -12.404 336 HG13 VAL 47 HG13 VAL 47 -4.662 1.557 -12.803 337 HG21 VAL 47 HG21 VAL 47 -2.835 -0.800 -12.052 338 HG22 VAL 47 HG22 VAL 47 -4.532 -0.602 -11.617 339 HG23 VAL 47 HG23 VAL 47 -3.323 -0.857 -10.361 340 H THR 48 HN THR 48 -3.037 2.265 -8.679 341 HA THR 48 HA THR 48 -1.578 0.431 -6.883 342 HB THR 48 HB THR 48 -2.107 2.164 -5.096 343 HG1 THR 48 HG1 THR 48 -3.685 3.250 -6.554 344 HG21 THR 48 HG21 THR 48 -0.293 2.975 -7.372 345 HG22 THR 48 HG22 THR 48 0.135 1.926 -6.021 346 HG23 THR 48 HG23 THR 48 -0.231 3.626 -5.736 347 H PHE 49 HN PHE 49 -2.825 -1.124 -6.108 348 HA PHE 49 HA PHE 49 -5.719 -0.594 -5.934 349 HB2 PHE 49 HB2 PHE 49 -5.985 -3.063 -6.377 350 HB3 PHE 49 HB1 PHE 49 -5.363 -2.120 -7.725 351 HD1 PHE 49 HD1 PHE 49 -4.513 -4.575 -5.140 352 HD2 PHE 49 HD2 PHE 49 -3.151 -2.462 -8.567 353 HE1 PHE 49 HE1 PHE 49 -2.585 -6.094 -5.301 354 HE2 PHE 49 HE2 PHE 49 -1.218 -3.973 -8.735 355 HZ PHE 49 HZ PHE 49 -0.932 -5.790 -7.100 356 H ASP 50 HN ASP 50 -6.909 -1.892 -4.377 357 HA ASP 50 HA ASP 50 -5.451 -2.292 -1.891 358 HB2 ASP 50 HB2 ASP 50 -7.634 -1.231 -1.748 359 HB3 ASP 50 HB1 ASP 50 -8.384 -2.583 -2.590 360 H VAL 51 HN VAL 51 -5.024 -4.256 -0.954 361 HA VAL 51 HA VAL 51 -4.951 -6.453 -2.814 362 HB VAL 51 HB VAL 51 -2.944 -6.066 -1.598 363 HG11 VAL 51 HG11 VAL 51 -2.763 -6.183 0.824 364 HG12 VAL 51 HG12 VAL 51 -4.497 -6.478 0.951 365 HG13 VAL 51 HG13 VAL 51 -3.913 -4.929 0.348 366 HG21 VAL 51 HG21 VAL 51 -2.552 -8.258 -0.563 367 HG22 VAL 51 HG22 VAL 51 -3.442 -8.401 -2.079 368 HG23 VAL 51 HG23 VAL 51 -4.290 -8.551 -0.540 369 H GLU 52 HN GLU 52 -6.535 -7.765 -3.059 370 HA GLU 52 HA GLU 52 -8.165 -8.599 -0.754 371 HB2 GLU 52 HB2 GLU 52 -9.495 -7.577 -2.505 372 HB3 GLU 52 HB1 GLU 52 -8.737 -8.573 -3.733 373 HG2 GLU 52 HG2 GLU 52 -10.968 -9.353 -3.301 374 HG3 GLU 52 HG1 GLU 52 -9.804 -10.558 -2.759 375 H GLU 53 HN GLU 53 -8.786 -10.971 -0.815 376 HA GLU 53 HA GLU 53 -6.628 -12.543 -2.061 377 HB2 GLU 53 HB2 GLU 53 -7.790 -12.779 0.698 378 HB3 GLU 53 HB1 GLU 53 -6.962 -14.126 -0.069 379 HG2 GLU 53 HG2 GLU 53 -4.983 -12.625 -0.365 380 HG3 GLU 53 HG1 GLU 53 -5.819 -11.436 0.634 381 H GLY 54 HN GLY 54 -7.175 -14.903 -2.169 382 HA2 GLY 54 HA2 GLY 54 -9.951 -15.633 -2.317 383 HA3 GLY 54 HA1 GLY 54 -9.191 -15.449 -3.896 384 H GLN 55 HN GLN 55 -10.211 -17.900 -2.894 385 HA GLN 55 HA GLN 55 -8.062 -19.427 -1.785 386 HB2 GLN 55 HB2 GLN 55 -9.544 -21.355 -2.039 387 HB3 GLN 55 HB1 GLN 55 -10.366 -20.002 -1.277 388 HG2 GLN 55 HG2 GLN 55 -11.385 -19.460 -3.472 389 HG3 GLN 55 HG1 GLN 55 -10.652 -20.928 -4.126 390 HE21 GLN 55 HE21 GLN 55 -11.404 -22.944 -3.441 391 HE22 GLN 55 HE22 GLN 55 -12.935 -23.124 -2.645 392 H ARG 56 HN ARG 56 -8.156 -18.166 -4.713 393 HA ARG 56 HA ARG 56 -6.605 -20.406 -5.815 394 HB2 ARG 56 HB2 ARG 56 -8.479 -18.603 -7.363 395 HB3 ARG 56 HB1 ARG 56 -7.345 -19.725 -8.101 396 HG2 ARG 56 HG2 ARG 56 -8.530 -21.543 -6.771 397 HG3 ARG 56 HG1 ARG 56 -9.784 -20.339 -6.467 398 HD2 ARG 56 HD2 ARG 56 -8.836 -21.269 -9.175 399 HD3 ARG 56 HD1 ARG 56 -10.338 -21.743 -8.386 400 HE ARG 56 HE ARG 56 -10.409 -18.995 -8.502 401 HH11 ARG 56 HH11 ARG 56 -10.130 -21.606 -10.831 402 HH12 ARG 56 HH12 ARG 56 -10.988 -20.752 -12.078 403 HH21 ARG 56 HH21 ARG 56 -11.501 -17.866 -10.137 404 HH22 ARG 56 HH22 ARG 56 -11.736 -18.604 -11.689 405 H GLY 57 HN GLY 57 -6.164 -17.695 -4.383 406 HA2 GLY 57 HA2 GLY 57 -3.786 -16.894 -4.735 407 HA3 GLY 57 HA1 GLY 57 -4.307 -16.563 -6.382 408 HA PRO 58 HA PRO 58 -5.070 -12.843 -3.632 409 HB2 PRO 58 HB2 PRO 58 -3.371 -11.107 -4.793 410 HB3 PRO 58 HB1 PRO 58 -2.847 -12.233 -3.533 411 HG2 PRO 58 HG2 PRO 58 -2.551 -12.448 -6.505 412 HG3 PRO 58 HG1 PRO 58 -1.363 -12.798 -5.235 413 HD2 PRO 58 HD2 PRO 58 -2.822 -14.732 -6.482 414 HD3 PRO 58 HD1 PRO 58 -2.243 -14.878 -4.811 415 H GLN 59 HN GLN 59 -6.437 -11.190 -4.148 416 HA GLN 59 HA GLN 59 -7.085 -10.847 -7.000 417 HB2 GLN 59 HB2 GLN 59 -8.957 -10.715 -4.626 418 HB3 GLN 59 HB1 GLN 59 -9.399 -10.289 -6.273 419 HG2 GLN 59 HG2 GLN 59 -8.779 -12.635 -6.934 420 HG3 GLN 59 HG1 GLN 59 -8.646 -12.995 -5.212 421 HE21 GLN 59 HE21 GLN 59 -10.499 -13.007 -3.939 422 HE22 GLN 59 HE22 GLN 59 -12.083 -13.087 -4.631 423 H ALA 60 HN ALA 60 -8.016 -8.689 -7.508 424 HA ALA 60 HA ALA 60 -6.797 -6.646 -5.773 425 HB1 ALA 60 HB1 ALA 60 -6.397 -5.299 -7.774 426 HB2 ALA 60 HB2 ALA 60 -7.066 -6.587 -8.776 427 HB3 ALA 60 HB3 ALA 60 -5.578 -6.858 -7.868 428 H ALA 61 HN ALA 61 -8.128 -5.254 -4.916 429 HA ALA 61 HA ALA 61 -10.620 -4.570 -6.327 430 HB1 ALA 61 HB1 ALA 61 -10.283 -4.932 -3.345 431 HB2 ALA 61 HB2 ALA 61 -11.165 -6.011 -4.426 432 HB3 ALA 61 HB3 ALA 61 -11.746 -4.367 -4.155 433 H ASN 62 HN ASN 62 -11.453 -2.394 -5.560 434 HA ASN 62 HA ASN 62 -11.062 -0.146 -5.633 435 HB2 ASN 62 HB2 ASN 62 -9.155 -0.835 -3.385 436 HB3 ASN 62 HB1 ASN 62 -9.798 0.766 -3.732 437 HD21 ASN 62 HD21 ASN 62 -10.421 -2.335 -2.369 438 HD22 ASN 62 HD22 ASN 62 -11.958 -1.957 -1.669 439 H VAL 63 HN VAL 63 -10.058 -0.347 -7.733 440 HA VAL 63 HA VAL 63 -7.152 -0.282 -7.809 441 HB VAL 63 HB VAL 63 -9.111 -0.128 -10.108 442 HG11 VAL 63 HG11 VAL 63 -6.919 0.789 -10.645 443 HG12 VAL 63 HG12 VAL 63 -7.188 -0.731 -11.495 444 HG13 VAL 63 HG13 VAL 63 -6.150 -0.687 -10.068 445 HG21 VAL 63 HG21 VAL 63 -7.610 -2.497 -8.987 446 HG22 VAL 63 HG22 VAL 63 -8.560 -2.501 -10.473 447 HG23 VAL 63 HG23 VAL 63 -9.353 -2.236 -8.920 448 H GLN 64 HN GLN 64 -6.597 1.633 -6.929 449 HA GLN 64 HA GLN 64 -7.837 4.120 -7.705 450 HB2 GLN 64 HB2 GLN 64 -6.679 3.312 -5.426 451 HB3 GLN 64 HB1 GLN 64 -5.267 4.027 -6.187 452 HG2 GLN 64 HG2 GLN 64 -7.854 5.512 -5.842 453 HG3 GLN 64 HG1 GLN 64 -6.588 5.496 -4.618 454 HE21 GLN 64 HE21 GLN 64 -4.653 6.550 -5.024 455 HE22 GLN 64 HE22 GLN 64 -4.497 7.721 -6.292 456 H LYS 65 HN LYS 65 -7.196 5.397 -9.332 457 HA LYS 65 HA LYS 65 -5.267 4.501 -11.193 458 HB2 LYS 65 HB2 LYS 65 -6.440 7.281 -10.961 459 HB3 LYS 65 HB1 LYS 65 -5.685 6.580 -12.383 460 HG2 LYS 65 HG2 LYS 65 -7.518 4.884 -12.424 461 HG3 LYS 65 HG1 LYS 65 -8.303 5.789 -11.128 462 HD2 LYS 65 HD2 LYS 65 -8.276 7.799 -12.594 463 HD3 LYS 65 HD1 LYS 65 -7.637 6.794 -13.895 464 HE2 LYS 65 HE2 LYS 65 -9.947 6.901 -14.288 465 HE3 LYS 65 HE1 LYS 65 -9.681 5.322 -13.550 466 HZ1 LYS 65 HZ1 LYS 65 -10.356 6.324 -11.402 467 HZ2 LYS 65 HZ2 LYS 65 -11.594 6.322 -12.556 468 HZ3 LYS 65 HZ3 LYS 65 -10.751 7.756 -12.219 469 H ALA 66 HN ALA 66 -3.185 5.069 -11.534 470 HA ALA 66 HA ALA 66 -1.882 6.564 -9.392 471 HB1 ALA 66 HB1 ALA 66 0.201 5.626 -10.241 472 HB2 ALA 66 HB2 ALA 66 -0.664 4.891 -11.592 473 HB3 ALA 66 HB3 ALA 66 -0.981 4.351 -9.942 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -1.729 -2.993 -0.469 2 H2 MET 1 HT2 MET 1 -3.163 -2.179 -0.083 3 H3 MET 1 HT3 MET 1 -1.664 -1.514 0.362 4 HA MET 1 HA MET 1 -2.702 -1.871 -2.386 5 HB2 MET 1 HB2 MET 1 -2.051 0.614 -0.785 6 HB3 MET 1 HB1 MET 1 -2.567 0.595 -2.465 7 HG2 MET 1 HG2 MET 1 -4.716 -0.296 -1.838 8 HG3 MET 1 HG1 MET 1 -4.204 -0.424 -0.157 9 HE1 MET 1 HE1 MET 1 -6.323 0.886 0.662 10 HE2 MET 1 HE2 MET 1 -6.896 1.021 -1.000 11 HE3 MET 1 HE3 MET 1 -6.824 2.454 0.027 12 H GLU 2 HN GLU 2 -1.146 -2.421 -3.739 13 HA GLU 2 HA GLU 2 1.542 -1.292 -3.305 14 HB2 GLU 2 HB2 GLU 2 0.743 -3.937 -4.515 15 HB3 GLU 2 HB1 GLU 2 2.328 -3.230 -4.776 16 HG2 GLU 2 HG2 GLU 2 2.752 -4.642 -3.036 17 HG3 GLU 2 HG1 GLU 2 2.403 -3.144 -2.173 18 H GLN 3 HN GLN 3 2.798 -1.177 -5.392 19 HA GLN 3 HA GLN 3 1.171 0.130 -7.435 20 HB2 GLN 3 HB2 GLN 3 4.171 0.020 -7.028 21 HB3 GLN 3 HB1 GLN 3 3.358 0.928 -8.295 22 HG2 GLN 3 HG2 GLN 3 2.431 2.444 -6.771 23 HG3 GLN 3 HG1 GLN 3 2.778 1.399 -5.395 24 HE21 GLN 3 HE21 GLN 3 3.501 4.204 -5.961 25 HE22 GLN 3 HE22 GLN 3 5.224 4.271 -5.778 26 H GLY 4 HN GLY 4 0.739 -0.844 -9.332 27 HA2 GLY 4 HA2 GLY 4 2.472 -3.061 -10.179 28 HA3 GLY 4 HA1 GLY 4 0.750 -3.357 -9.989 29 H THR 5 HN THR 5 2.391 -3.567 -12.372 30 HA THR 5 HA THR 5 1.244 -1.417 -14.021 31 HB THR 5 HB THR 5 3.412 -3.345 -14.856 32 HG1 THR 5 HG1 THR 5 4.446 -2.282 -13.278 33 HG21 THR 5 HG21 THR 5 2.620 -0.611 -15.878 34 HG22 THR 5 HG22 THR 5 2.249 -2.150 -16.659 35 HG23 THR 5 HG23 THR 5 3.925 -1.618 -16.512 36 H VAL 6 HN VAL 6 -0.402 -1.913 -15.340 37 HA VAL 6 HA VAL 6 -1.476 -4.545 -15.427 38 HB VAL 6 HB VAL 6 -2.125 -2.214 -17.243 39 HG11 VAL 6 HG11 VAL 6 -4.291 -3.348 -17.532 40 HG12 VAL 6 HG12 VAL 6 -3.693 -4.701 -16.572 41 HG13 VAL 6 HG13 VAL 6 -2.942 -4.322 -18.123 42 HG21 VAL 6 HG21 VAL 6 -2.397 -1.595 -14.904 43 HG22 VAL 6 HG22 VAL 6 -3.386 -3.027 -14.627 44 HG23 VAL 6 HG23 VAL 6 -3.967 -1.747 -15.692 45 H LYS 7 HN LYS 7 -0.713 -6.196 -16.585 46 HA LYS 7 HA LYS 7 1.173 -5.809 -18.720 47 HB2 LYS 7 HB2 LYS 7 -0.256 -8.361 -17.944 48 HB3 LYS 7 HB1 LYS 7 1.241 -8.221 -18.855 49 HG2 LYS 7 HG2 LYS 7 0.868 -7.446 -15.969 50 HG3 LYS 7 HG1 LYS 7 1.635 -8.924 -16.552 51 HD2 LYS 7 HD2 LYS 7 2.602 -6.168 -17.281 52 HD3 LYS 7 HD1 LYS 7 3.198 -7.058 -15.879 53 HE2 LYS 7 HE2 LYS 7 3.966 -8.857 -17.330 54 HE3 LYS 7 HE1 LYS 7 3.319 -8.013 -18.738 55 HZ1 LYS 7 HZ1 LYS 7 4.890 -6.291 -18.495 56 HZ2 LYS 7 HZ2 LYS 7 5.766 -7.737 -18.343 57 HZ3 LYS 7 HZ3 LYS 7 5.377 -6.828 -16.960 58 H TRP 8 HN TRP 8 -2.015 -7.318 -18.511 59 HA TRP 8 HA TRP 8 -3.006 -5.958 -20.796 60 HB2 TRP 8 HB2 TRP 8 -3.483 -8.009 -22.151 61 HB3 TRP 8 HB1 TRP 8 -1.774 -7.602 -22.065 62 HD1 TRP 8 HD1 TRP 8 -0.184 -9.267 -20.678 63 HE1 TRP 8 HE1 TRP 8 -0.466 -11.741 -20.017 64 HE3 TRP 8 HE3 TRP 8 -5.226 -9.734 -21.427 65 HZ2 TRP 8 HZ2 TRP 8 -2.555 -13.626 -19.829 66 HZ3 TRP 8 HZ3 TRP 8 -6.279 -11.911 -20.987 67 HH2 TRP 8 HH2 TRP 8 -4.973 -13.814 -20.207 68 H PHE 9 HN PHE 9 -5.285 -6.531 -21.181 69 HA PHE 9 HA PHE 9 -6.474 -7.785 -18.807 70 HB2 PHE 9 HB2 PHE 9 -8.191 -6.012 -18.721 71 HB3 PHE 9 HB1 PHE 9 -6.574 -5.395 -18.422 72 HD1 PHE 9 HD1 PHE 9 -5.360 -4.370 -20.499 73 HD2 PHE 9 HD2 PHE 9 -9.567 -4.936 -20.215 74 HE1 PHE 9 HE1 PHE 9 -5.703 -2.653 -22.225 75 HE2 PHE 9 HE2 PHE 9 -9.917 -3.227 -21.946 76 HZ PHE 9 HZ PHE 9 -7.985 -2.082 -22.953 77 H ASN 10 HN ASN 10 -7.627 -9.429 -19.396 78 HA ASN 10 HA ASN 10 -8.707 -9.607 -22.085 79 HB2 ASN 10 HB2 ASN 10 -7.543 -11.493 -20.638 80 HB3 ASN 10 HB1 ASN 10 -9.161 -11.691 -19.978 81 HD21 ASN 10 HD21 ASN 10 -9.173 -13.794 -20.867 82 HD22 ASN 10 HD22 ASN 10 -9.480 -14.046 -22.548 83 H ALA 11 HN ALA 11 -10.106 -7.787 -21.682 84 HA ALA 11 HA ALA 11 -11.937 -7.639 -19.561 85 HB1 ALA 11 HB1 ALA 11 -12.079 -6.263 -22.238 86 HB2 ALA 11 HB2 ALA 11 -11.182 -5.690 -20.833 87 HB3 ALA 11 HB3 ALA 11 -12.940 -5.791 -20.775 88 H GLU 12 HN GLU 12 -12.216 -9.120 -22.736 89 HA GLU 12 HA GLU 12 -15.077 -9.278 -22.624 90 HB2 GLU 12 HB2 GLU 12 -13.105 -10.701 -24.414 91 HB3 GLU 12 HB1 GLU 12 -14.853 -10.734 -24.616 92 HG2 GLU 12 HG2 GLU 12 -14.716 -8.192 -24.746 93 HG3 GLU 12 HG1 GLU 12 -12.978 -8.416 -24.939 94 H LYS 13 HN LYS 13 -12.619 -11.006 -21.121 95 HA LYS 13 HA LYS 13 -14.474 -13.225 -20.588 96 HB2 LYS 13 HB2 LYS 13 -11.469 -13.104 -20.328 97 HB3 LYS 13 HB1 LYS 13 -12.447 -14.439 -19.731 98 HG2 LYS 13 HG2 LYS 13 -12.266 -13.535 -22.599 99 HG3 LYS 13 HG1 LYS 13 -11.476 -14.951 -21.906 100 HD2 LYS 13 HD2 LYS 13 -14.461 -14.511 -21.975 101 HD3 LYS 13 HD1 LYS 13 -13.563 -15.487 -23.139 102 HE2 LYS 13 HE2 LYS 13 -12.895 -17.026 -21.439 103 HE3 LYS 13 HE1 LYS 13 -13.546 -15.988 -20.171 104 HZ1 LYS 13 HZ1 LYS 13 -15.161 -17.331 -22.278 105 HZ2 LYS 13 HZ2 LYS 13 -15.759 -16.383 -21.004 106 HZ3 LYS 13 HZ3 LYS 13 -15.001 -17.857 -20.677 107 H GLY 14 HN GLY 14 -13.042 -10.440 -19.306 108 HA2 GLY 14 HA2 GLY 14 -14.084 -9.388 -17.471 109 HA3 GLY 14 HA1 GLY 14 -14.562 -10.964 -16.870 110 H PHE 15 HN PHE 15 -11.242 -10.717 -17.794 111 HA PHE 15 HA PHE 15 -10.455 -9.972 -15.091 112 HB2 PHE 15 HB2 PHE 15 -9.094 -11.976 -14.747 113 HB3 PHE 15 HB1 PHE 15 -10.794 -12.383 -14.911 114 HD1 PHE 15 HD2 PHE 15 -7.488 -12.564 -16.493 115 HD2 PHE 15 HD1 PHE 15 -11.584 -13.687 -16.769 116 HE1 PHE 15 HE2 PHE 15 -6.918 -14.197 -18.241 117 HE2 PHE 15 HE1 PHE 15 -11.018 -15.328 -18.514 118 HZ PHE 15 HZ PHE 15 -8.683 -15.582 -19.255 119 H GLY 16 HN GLY 16 -8.223 -9.508 -14.841 120 HA2 GLY 16 HA2 GLY 16 -6.649 -9.385 -17.321 121 HA3 GLY 16 HA1 GLY 16 -6.891 -7.911 -16.389 122 H PHE 17 HN PHE 17 -4.344 -8.768 -16.826 123 HA PHE 17 HA PHE 17 -3.586 -9.877 -14.207 124 HB2 PHE 17 HB2 PHE 17 -2.349 -10.386 -16.905 125 HB3 PHE 17 HB1 PHE 17 -1.501 -10.723 -15.399 126 HD1 PHE 17 HD1 PHE 17 -2.297 -12.456 -13.882 127 HD2 PHE 17 HD2 PHE 17 -4.144 -11.774 -17.652 128 HE1 PHE 17 HE1 PHE 17 -3.408 -14.646 -13.728 129 HE2 PHE 17 HE2 PHE 17 -5.257 -13.964 -17.509 130 HZ PHE 17 HZ PHE 17 -4.890 -15.404 -15.544 131 H ILE 18 HN ILE 18 -2.527 -8.557 -12.979 132 HA ILE 18 HA ILE 18 -1.003 -6.335 -14.183 133 HB ILE 18 HB ILE 18 -2.120 -6.529 -11.373 134 HG12 ILE 18 HG12 ILE 18 -3.148 -4.921 -13.724 135 HG13 ILE 18 HG11 ILE 18 -3.908 -6.376 -13.088 136 HG21 ILE 18 HG21 ILE 18 -0.161 -5.106 -11.507 137 HG22 ILE 18 HG22 ILE 18 -1.606 -4.125 -11.265 138 HG23 ILE 18 HG23 ILE 18 -0.866 -4.224 -12.863 139 HD11 ILE 18 HD11 ILE 18 -5.044 -4.376 -12.323 140 HD12 ILE 18 HD12 ILE 18 -3.545 -3.779 -11.613 141 HD13 ILE 18 HD13 ILE 18 -4.308 -5.232 -10.967 142 H GLU 19 HN GLU 19 1.158 -6.092 -13.614 143 HA GLU 19 HA GLU 19 2.353 -8.362 -12.237 144 HB2 GLU 19 HB2 GLU 19 4.509 -7.445 -12.952 145 HB3 GLU 19 HB1 GLU 19 3.410 -7.610 -14.312 146 HG2 GLU 19 HG2 GLU 19 3.025 -5.279 -14.400 147 HG3 GLU 19 HG1 GLU 19 3.818 -5.022 -12.848 148 H ARG 20 HN ARG 20 3.145 -8.328 -10.231 149 HA ARG 20 HA ARG 20 3.507 -5.710 -8.931 150 HB2 ARG 20 HB2 ARG 20 1.596 -7.131 -8.040 151 HB3 ARG 20 HB1 ARG 20 2.810 -8.288 -7.513 152 HG2 ARG 20 HG2 ARG 20 3.839 -6.514 -6.127 153 HG3 ARG 20 HG1 ARG 20 2.524 -5.435 -6.593 154 HD2 ARG 20 HD2 ARG 20 2.053 -6.388 -4.430 155 HD3 ARG 20 HD1 ARG 20 0.914 -7.034 -5.612 156 HE ARG 20 HE ARG 20 2.798 -8.918 -5.628 157 HH11 ARG 20 HH11 ARG 20 1.213 -7.304 -2.940 158 HH12 ARG 20 HH12 ARG 20 1.390 -8.670 -1.870 159 HH21 ARG 20 HH21 ARG 20 3.038 -10.690 -4.225 160 HH22 ARG 20 HH22 ARG 20 2.426 -10.586 -2.601 161 H GLU 21 HN GLU 21 5.290 -5.572 -7.466 162 HA GLU 21 HA GLU 21 7.652 -6.574 -8.445 163 HB2 GLU 21 HB2 GLU 21 8.480 -6.034 -5.970 164 HB3 GLU 21 HB1 GLU 21 8.130 -4.789 -7.152 165 HG2 GLU 21 HG2 GLU 21 7.146 -4.045 -5.174 166 HG3 GLU 21 HG1 GLU 21 5.807 -4.670 -6.121 167 H ASN 22 HN ASN 22 5.752 -7.883 -5.750 168 HA ASN 22 HA ASN 22 7.321 -10.361 -6.036 169 HB2 ASN 22 HB2 ASN 22 5.711 -9.254 -3.754 170 HB3 ASN 22 HB1 ASN 22 6.018 -10.981 -3.870 171 HD21 ASN 22 HD21 ASN 22 8.332 -8.628 -4.983 172 HD22 ASN 22 HD22 ASN 22 9.489 -8.874 -3.721 173 H GLY 23 HN GLY 23 5.914 -10.323 -8.120 174 HA2 GLY 23 HA2 GLY 23 4.649 -12.510 -8.572 175 HA3 GLY 23 HA1 GLY 23 3.419 -11.788 -7.548 176 H ASP 24 HN ASP 24 4.887 -11.822 -10.677 177 HA ASP 24 HA ASP 24 3.676 -9.444 -11.687 178 HB2 ASP 24 HB2 ASP 24 4.415 -10.189 -13.876 179 HB3 ASP 24 HB1 ASP 24 5.697 -10.456 -12.703 180 H ASP 25 HN ASP 25 2.124 -11.961 -10.559 181 HA ASP 25 HA ASP 25 0.076 -11.929 -12.664 182 HB2 ASP 25 HB2 ASP 25 -0.509 -14.270 -11.978 183 HB3 ASP 25 HB1 ASP 25 1.063 -14.109 -12.749 184 H VAL 26 HN VAL 26 -0.981 -10.251 -11.625 185 HA VAL 26 HA VAL 26 -2.418 -11.068 -9.190 186 HB VAL 26 HB VAL 26 -2.080 -8.270 -10.303 187 HG11 VAL 26 HG11 VAL 26 -3.057 -7.541 -8.184 188 HG12 VAL 26 HG12 VAL 26 -3.286 -9.223 -7.712 189 HG13 VAL 26 HG13 VAL 26 -4.173 -8.567 -9.085 190 HG21 VAL 26 HG21 VAL 26 -0.601 -7.868 -8.413 191 HG22 VAL 26 HG22 VAL 26 0.020 -9.183 -9.413 192 HG23 VAL 26 HG23 VAL 26 -0.793 -9.541 -7.889 193 H PHE 27 HN PHE 27 -4.417 -11.706 -9.490 194 HA PHE 27 HA PHE 27 -5.675 -11.446 -12.079 195 HB2 PHE 27 HB2 PHE 27 -5.697 -13.571 -10.815 196 HB3 PHE 27 HB1 PHE 27 -6.610 -12.796 -9.530 197 HD1 PHE 27 HD2 PHE 27 -6.737 -14.165 -12.911 198 HD2 PHE 27 HD1 PHE 27 -8.962 -12.315 -9.789 199 HE1 PHE 27 HE2 PHE 27 -8.833 -14.831 -14.016 200 HE2 PHE 27 HE1 PHE 27 -11.060 -12.981 -10.885 201 HZ PHE 27 HZ PHE 27 -11.000 -14.239 -13.002 202 H VAL 28 HN VAL 28 -6.590 -9.489 -12.474 203 HA VAL 28 HA VAL 28 -8.142 -8.259 -10.312 204 HB VAL 28 HB VAL 28 -6.445 -6.843 -11.430 205 HG11 VAL 28 HG11 VAL 28 -6.863 -5.979 -13.677 206 HG12 VAL 28 HG12 VAL 28 -8.217 -7.094 -13.848 207 HG13 VAL 28 HG13 VAL 28 -6.578 -7.718 -13.679 208 HG21 VAL 28 HG21 VAL 28 -9.308 -5.958 -11.750 209 HG22 VAL 28 HG22 VAL 28 -7.908 -4.886 -11.756 210 HG23 VAL 28 HG23 VAL 28 -8.310 -5.804 -10.305 211 H HIS 29 HN HIS 29 -10.286 -8.024 -10.396 212 HA HIS 29 HA HIS 29 -11.697 -9.458 -12.507 213 HB2 HIS 29 HB2 HIS 29 -12.150 -9.990 -10.132 214 HB3 HIS 29 HB1 HIS 29 -12.683 -8.335 -9.872 215 HD1 HIS 29 HD1 HIS 29 -13.663 -11.276 -12.115 216 HD2 HIS 29 HD2 HIS 29 -15.347 -8.068 -10.060 217 HE1 HIS 29 HE1 HIS 29 -16.149 -11.503 -12.408 218 HE2 HIS 29 HE2 HIS 29 -17.156 -9.657 -11.016 219 H PHE 30 HN PHE 30 -13.027 -8.486 -13.981 220 HA PHE 30 HA PHE 30 -12.544 -5.831 -14.644 221 HB2 PHE 30 HB2 PHE 30 -14.109 -6.073 -16.394 222 HB3 PHE 30 HB1 PHE 30 -13.431 -7.677 -16.152 223 HD1 PHE 30 HD1 PHE 30 -14.804 -9.317 -14.708 224 HD2 PHE 30 HD2 PHE 30 -16.396 -5.743 -16.382 225 HE1 PHE 30 HE1 PHE 30 -17.079 -10.220 -14.463 226 HE2 PHE 30 HE2 PHE 30 -18.674 -6.639 -16.140 227 HZ PHE 30 HZ PHE 30 -19.019 -8.880 -15.178 228 H SER 31 HN SER 31 -15.160 -7.174 -12.712 229 HA SER 31 HA SER 31 -16.533 -4.628 -12.612 230 HB2 SER 31 HB2 SER 31 -17.676 -6.914 -12.718 231 HB3 SER 31 HB1 SER 31 -17.226 -7.100 -11.024 232 HG SER 31 HG SER 31 -19.060 -6.101 -10.721 233 H ALA 32 HN ALA 32 -13.845 -5.675 -11.196 234 HA ALA 32 HA ALA 32 -14.388 -4.302 -8.654 235 HB1 ALA 32 HB1 ALA 32 -12.026 -6.016 -9.439 236 HB2 ALA 32 HB2 ALA 32 -13.376 -6.524 -8.424 237 HB3 ALA 32 HB3 ALA 32 -12.278 -5.263 -7.864 238 H ILE 33 HN ILE 33 -12.856 -4.122 -11.692 239 HA ILE 33 HA ILE 33 -11.028 -2.000 -11.118 240 HB ILE 33 HB ILE 33 -12.236 -2.832 -13.766 241 HG12 ILE 33 HG12 ILE 33 -9.576 -3.585 -12.532 242 HG13 ILE 33 HG11 ILE 33 -10.980 -4.643 -12.638 243 HG21 ILE 33 HG21 ILE 33 -10.342 -1.655 -14.772 244 HG22 ILE 33 HG22 ILE 33 -9.799 -1.152 -13.170 245 HG23 ILE 33 HG23 ILE 33 -11.336 -0.565 -13.805 246 HD11 ILE 33 HD11 ILE 33 -9.451 -3.493 -14.958 247 HD12 ILE 33 HD12 ILE 33 -10.872 -4.529 -15.076 248 HD13 ILE 33 HD13 ILE 33 -9.379 -5.156 -14.380 249 H GLN 34 HN GLN 34 -11.918 -0.163 -10.276 250 HA GLN 34 HA GLN 34 -14.378 0.895 -11.326 251 HB2 GLN 34 HB2 GLN 34 -13.836 2.870 -9.825 252 HB3 GLN 34 HB1 GLN 34 -14.072 1.325 -9.026 253 HG2 GLN 34 HG2 GLN 34 -12.152 1.674 -7.983 254 HG3 GLN 34 HG1 GLN 34 -11.343 1.445 -9.531 255 HE21 GLN 34 HE21 GLN 34 -9.707 2.862 -8.990 256 HE22 GLN 34 HE22 GLN 34 -9.945 4.585 -8.928 257 H GLY 35 HN GLY 35 -13.549 0.828 -13.525 258 HA2 GLY 35 HA2 GLY 35 -11.501 2.648 -14.353 259 HA3 GLY 35 HA1 GLY 35 -12.593 1.761 -15.404 260 H ASP 36 HN ASP 36 -11.869 4.351 -15.976 261 HA ASP 36 HA ASP 36 -14.068 6.043 -15.064 262 HB2 ASP 36 HB2 ASP 36 -11.817 7.021 -15.027 263 HB3 ASP 36 HB1 ASP 36 -11.644 6.710 -16.753 264 H GLY 37 HN GLY 37 -15.887 5.644 -16.146 265 HA2 GLY 37 HA2 GLY 37 -17.277 6.030 -18.012 266 HA3 GLY 37 HA1 GLY 37 -15.860 5.995 -19.051 267 H PHE 38 HN PHE 38 -14.674 3.691 -18.611 268 HA PHE 38 HA PHE 38 -16.703 1.576 -18.750 269 HB2 PHE 38 HB2 PHE 38 -14.390 1.945 -20.674 270 HB3 PHE 38 HB1 PHE 38 -15.381 0.494 -20.581 271 HD1 PHE 38 HD1 PHE 38 -17.794 0.621 -21.177 272 HD2 PHE 38 HD2 PHE 38 -15.101 3.842 -21.864 273 HE1 PHE 38 HE1 PHE 38 -19.383 1.601 -22.780 274 HE2 PHE 38 HE2 PHE 38 -16.683 4.834 -23.467 275 HZ PHE 38 HZ PHE 38 -18.831 3.713 -23.928 276 H LYS 39 HN LYS 39 -16.018 -0.431 -17.976 277 HA LYS 39 HA LYS 39 -13.923 -0.310 -16.029 278 HB2 LYS 39 HB2 LYS 39 -15.857 -2.411 -16.927 279 HB3 LYS 39 HB1 LYS 39 -14.482 -2.877 -15.939 280 HG2 LYS 39 HG2 LYS 39 -16.418 -2.526 -14.552 281 HG3 LYS 39 HG1 LYS 39 -15.205 -1.295 -14.207 282 HD2 LYS 39 HD2 LYS 39 -16.438 0.284 -15.644 283 HD3 LYS 39 HD1 LYS 39 -17.669 -0.951 -15.915 284 HE2 LYS 39 HE2 LYS 39 -18.135 -1.012 -13.514 285 HE3 LYS 39 HE1 LYS 39 -16.906 0.222 -13.246 286 HZ1 LYS 39 HZ1 LYS 39 -19.382 0.563 -14.851 287 HZ2 LYS 39 HZ2 LYS 39 -18.198 1.753 -14.594 288 HZ3 LYS 39 HZ3 LYS 39 -19.116 1.176 -13.291 289 H SER 40 HN SER 40 -12.019 0.051 -17.082 290 HA SER 40 HA SER 40 -10.654 -2.242 -18.071 291 HB2 SER 40 HB2 SER 40 -10.071 -1.172 -20.297 292 HB3 SER 40 HB1 SER 40 -11.730 -1.750 -20.157 293 HG SER 40 HG SER 40 -11.708 0.745 -19.295 294 H LEU 41 HN LEU 41 -8.387 -1.856 -18.295 295 HA LEU 41 HA LEU 41 -7.434 0.794 -17.462 296 HB2 LEU 41 HB2 LEU 41 -6.492 -1.879 -16.411 297 HB3 LEU 41 HB1 LEU 41 -5.634 -0.373 -16.158 298 HG LEU 41 HG LEU 41 -8.423 -0.961 -15.158 299 HD11 LEU 41 HD11 LEU 41 -7.366 -1.060 -12.950 300 HD12 LEU 41 HD12 LEU 41 -5.780 -0.897 -13.706 301 HD13 LEU 41 HD13 LEU 41 -6.766 -2.326 -14.022 302 HD21 LEU 41 HD21 LEU 41 -8.055 1.411 -15.585 303 HD22 LEU 41 HD22 LEU 41 -6.567 1.364 -14.639 304 HD23 LEU 41 HD23 LEU 41 -8.123 1.092 -13.853 305 H ASP 42 HN ASP 42 -5.841 1.547 -18.737 306 HA ASP 42 HA ASP 42 -5.162 0.322 -21.133 307 HB2 ASP 42 HB2 ASP 42 -3.946 2.575 -19.575 308 HB3 ASP 42 HB1 ASP 42 -3.143 1.980 -21.024 309 H GLU 43 HN GLU 43 -3.881 -1.287 -21.636 310 HA GLU 43 HA GLU 43 -2.194 -2.575 -19.769 311 HB2 GLU 43 HB2 GLU 43 -1.363 -3.810 -21.834 312 HB3 GLU 43 HB1 GLU 43 -3.082 -3.931 -21.486 313 HG2 GLU 43 HG2 GLU 43 -3.469 -2.118 -23.154 314 HG3 GLU 43 HG1 GLU 43 -1.761 -2.224 -23.580 315 H GLY 44 HN GLY 44 -0.172 -2.149 -19.191 316 HA2 GLY 44 HA2 GLY 44 2.044 -1.346 -19.544 317 HA3 GLY 44 HA1 GLY 44 1.441 -0.341 -20.858 318 H GLN 45 HN GLN 45 -0.699 -0.172 -18.324 319 HA GLN 45 HA GLN 45 0.458 2.370 -17.418 320 HB2 GLN 45 HB2 GLN 45 -1.817 2.458 -18.365 321 HB3 GLN 45 HB1 GLN 45 -2.364 1.310 -17.154 322 HG2 GLN 45 HG2 GLN 45 -3.060 3.446 -16.443 323 HG3 GLN 45 HG1 GLN 45 -1.714 2.975 -15.407 324 HE21 GLN 45 HE21 GLN 45 -2.761 5.615 -16.013 325 HE22 GLN 45 HE22 GLN 45 -1.445 6.519 -16.682 326 H ALA 46 HN ALA 46 0.988 2.714 -15.321 327 HA ALA 46 HA ALA 46 0.859 0.442 -13.497 328 HB1 ALA 46 HB1 ALA 46 2.207 3.120 -13.145 329 HB2 ALA 46 HB2 ALA 46 2.985 1.653 -13.743 330 HB3 ALA 46 HB3 ALA 46 2.373 1.716 -12.090 331 H VAL 47 HN VAL 47 -0.473 0.319 -11.802 332 HA VAL 47 HA VAL 47 -1.955 2.706 -10.946 333 HB VAL 47 HB VAL 47 -4.012 1.324 -10.699 334 HG11 VAL 47 HG11 VAL 47 -2.955 1.489 -13.519 335 HG12 VAL 47 HG12 VAL 47 -3.735 2.796 -12.628 336 HG13 VAL 47 HG13 VAL 47 -4.649 1.350 -13.052 337 HG21 VAL 47 HG21 VAL 47 -4.182 -0.797 -11.925 338 HG22 VAL 47 HG22 VAL 47 -2.987 -0.883 -10.631 339 HG23 VAL 47 HG23 VAL 47 -2.462 -0.710 -12.305 340 H THR 48 HN THR 48 -3.232 2.101 -8.849 341 HA THR 48 HA THR 48 -1.456 0.459 -7.162 342 HB THR 48 HB THR 48 -2.282 1.945 -5.265 343 HG1 THR 48 HG1 THR 48 -3.995 2.855 -6.733 344 HG21 THR 48 HG21 THR 48 -0.614 3.196 -7.448 345 HG22 THR 48 HG22 THR 48 -0.027 2.141 -6.161 346 HG23 THR 48 HG23 THR 48 -0.674 3.736 -5.770 347 H PHE 49 HN PHE 49 -2.367 -1.322 -6.502 348 HA PHE 49 HA PHE 49 -5.287 -1.376 -6.095 349 HB2 PHE 49 HB2 PHE 49 -5.180 -3.781 -6.765 350 HB3 PHE 49 HB1 PHE 49 -4.751 -2.676 -8.067 351 HD1 PHE 49 HD1 PHE 49 -3.411 -5.067 -5.602 352 HD2 PHE 49 HD2 PHE 49 -2.585 -2.710 -9.044 353 HE1 PHE 49 HE1 PHE 49 -1.294 -6.278 -5.915 354 HE2 PHE 49 HE2 PHE 49 -0.462 -3.912 -9.360 355 HZ PHE 49 HZ PHE 49 0.184 -5.699 -7.796 356 H ASP 50 HN ASP 50 -6.057 -2.686 -4.366 357 HA ASP 50 HA ASP 50 -4.018 -3.247 -2.324 358 HB2 ASP 50 HB2 ASP 50 -6.131 -1.889 -1.822 359 HB3 ASP 50 HB1 ASP 50 -7.011 -3.409 -1.962 360 H VAL 51 HN VAL 51 -3.290 -5.281 -2.095 361 HA VAL 51 HA VAL 51 -4.398 -7.261 -3.861 362 HB VAL 51 HB VAL 51 -1.928 -6.930 -3.515 363 HG11 VAL 51 HG11 VAL 51 -0.862 -8.064 -1.627 364 HG12 VAL 51 HG12 VAL 51 -2.451 -8.402 -0.938 365 HG13 VAL 51 HG13 VAL 51 -1.893 -6.735 -1.092 366 HG21 VAL 51 HG21 VAL 51 -3.037 -9.702 -3.096 367 HG22 VAL 51 HG22 VAL 51 -1.405 -9.329 -3.648 368 HG23 VAL 51 HG23 VAL 51 -2.794 -8.892 -4.643 369 H GLU 52 HN GLU 52 -5.441 -9.084 -3.395 370 HA GLU 52 HA GLU 52 -5.800 -9.890 -0.600 371 HB2 GLU 52 HB2 GLU 52 -7.787 -8.562 -1.417 372 HB3 GLU 52 HB1 GLU 52 -8.028 -9.794 -2.647 373 HG2 GLU 52 HG2 GLU 52 -8.502 -11.448 -0.985 374 HG3 GLU 52 HG1 GLU 52 -8.058 -10.336 0.309 375 H GLU 53 HN GLU 53 -6.360 -12.227 -0.453 376 HA GLU 53 HA GLU 53 -6.001 -13.751 -2.894 377 HB2 GLU 53 HB2 GLU 53 -4.104 -15.028 -2.126 378 HB3 GLU 53 HB1 GLU 53 -3.688 -13.323 -2.101 379 HG2 GLU 53 HG2 GLU 53 -4.529 -14.901 0.322 380 HG3 GLU 53 HG1 GLU 53 -2.857 -14.617 -0.154 381 H GLY 54 HN GLY 54 -5.816 -16.235 -2.116 382 HA2 GLY 54 HA2 GLY 54 -6.661 -17.418 0.044 383 HA3 GLY 54 HA1 GLY 54 -8.155 -16.608 -0.402 384 H GLN 55 HN GLN 55 -9.392 -17.403 -2.049 385 HA GLN 55 HA GLN 55 -9.019 -20.242 -2.364 386 HB2 GLN 55 HB2 GLN 55 -11.190 -19.201 -1.741 387 HB3 GLN 55 HB1 GLN 55 -11.271 -18.488 -3.344 388 HG2 GLN 55 HG2 GLN 55 -11.360 -20.680 -4.353 389 HG3 GLN 55 HG1 GLN 55 -11.187 -21.439 -2.771 390 HE21 GLN 55 HE21 GLN 55 -12.916 -21.361 -1.311 391 HE22 GLN 55 HE22 GLN 55 -14.531 -21.018 -1.843 392 H ARG 56 HN ARG 56 -8.574 -17.448 -4.386 393 HA ARG 56 HA ARG 56 -7.890 -19.259 -6.586 394 HB2 ARG 56 HB2 ARG 56 -8.932 -17.472 -8.150 395 HB3 ARG 56 HB1 ARG 56 -9.974 -18.657 -7.377 396 HG2 ARG 56 HG2 ARG 56 -10.518 -16.967 -5.642 397 HG3 ARG 56 HG1 ARG 56 -9.568 -15.790 -6.554 398 HD2 ARG 56 HD2 ARG 56 -12.041 -15.726 -6.976 399 HD3 ARG 56 HD1 ARG 56 -11.037 -15.917 -8.413 400 HE ARG 56 HE ARG 56 -11.614 -18.469 -7.791 401 HH11 ARG 56 HH11 ARG 56 -13.688 -15.657 -7.998 402 HH12 ARG 56 HH12 ARG 56 -15.044 -16.540 -8.630 403 HH21 ARG 56 HH21 ARG 56 -13.376 -19.639 -8.589 404 HH22 ARG 56 HH22 ARG 56 -14.872 -18.827 -8.954 405 H GLY 57 HN GLY 57 -6.116 -18.062 -4.853 406 HA2 GLY 57 HA2 GLY 57 -3.985 -17.224 -5.141 407 HA3 GLY 57 HA1 GLY 57 -4.396 -16.871 -6.812 408 HA PRO 58 HA PRO 58 -4.075 -12.831 -4.678 409 HB2 PRO 58 HB2 PRO 58 -2.457 -11.875 -6.829 410 HB3 PRO 58 HB1 PRO 58 -1.951 -12.252 -5.183 411 HG2 PRO 58 HG2 PRO 58 -1.184 -13.652 -7.449 412 HG3 PRO 58 HG1 PRO 58 -1.107 -14.269 -5.790 413 HD2 PRO 58 HD2 PRO 58 -3.137 -14.785 -7.917 414 HD3 PRO 58 HD1 PRO 58 -2.499 -15.879 -6.670 415 H GLN 59 HN GLN 59 -5.984 -11.888 -4.991 416 HA GLN 59 HA GLN 59 -6.792 -11.143 -7.712 417 HB2 GLN 59 HB2 GLN 59 -9.056 -10.821 -6.690 418 HB3 GLN 59 HB1 GLN 59 -8.469 -12.477 -6.629 419 HG2 GLN 59 HG2 GLN 59 -7.782 -12.119 -4.292 420 HG3 GLN 59 HG1 GLN 59 -8.453 -10.492 -4.369 421 HE21 GLN 59 HE21 GLN 59 -10.668 -10.219 -4.412 422 HE22 GLN 59 HE22 GLN 59 -11.763 -11.483 -3.977 423 H ALA 60 HN ALA 60 -7.153 -9.045 -8.237 424 HA ALA 60 HA ALA 60 -6.070 -7.076 -6.389 425 HB1 ALA 60 HB1 ALA 60 -5.279 -7.071 -8.701 426 HB2 ALA 60 HB2 ALA 60 -6.081 -5.553 -8.295 427 HB3 ALA 60 HB3 ALA 60 -6.922 -6.764 -9.268 428 H ALA 61 HN ALA 61 -7.435 -6.294 -4.951 429 HA ALA 61 HA ALA 61 -10.129 -5.500 -5.843 430 HB1 ALA 61 HB1 ALA 61 -10.145 -7.142 -4.020 431 HB2 ALA 61 HB2 ALA 61 -10.783 -5.586 -3.486 432 HB3 ALA 61 HB3 ALA 61 -9.147 -6.068 -3.038 433 H ASN 62 HN ASN 62 -10.886 -3.427 -5.196 434 HA ASN 62 HA ASN 62 -10.647 -1.164 -5.182 435 HB2 ASN 62 HB2 ASN 62 -8.750 -1.902 -2.945 436 HB3 ASN 62 HB1 ASN 62 -9.239 -0.249 -3.302 437 HD21 ASN 62 HD21 ASN 62 -9.667 -1.828 -0.904 438 HD22 ASN 62 HD22 ASN 62 -11.380 -1.879 -0.656 439 H VAL 63 HN VAL 63 -9.741 -1.164 -7.292 440 HA VAL 63 HA VAL 63 -6.836 -0.769 -7.411 441 HB VAL 63 HB VAL 63 -8.752 -1.162 -9.715 442 HG11 VAL 63 HG11 VAL 63 -5.742 -1.241 -9.575 443 HG12 VAL 63 HG12 VAL 63 -6.726 0.002 -10.348 444 HG13 VAL 63 HG13 VAL 63 -6.706 -1.638 -10.999 445 HG21 VAL 63 HG21 VAL 63 -8.709 -3.152 -8.306 446 HG22 VAL 63 HG22 VAL 63 -6.946 -3.176 -8.380 447 HG23 VAL 63 HG23 VAL 63 -7.895 -3.453 -9.841 448 H GLN 64 HN GLN 64 -6.389 1.296 -7.021 449 HA GLN 64 HA GLN 64 -8.108 3.387 -8.119 450 HB2 GLN 64 HB2 GLN 64 -5.854 3.473 -6.109 451 HB3 GLN 64 HB1 GLN 64 -6.668 4.908 -6.721 452 HG2 GLN 64 HG2 GLN 64 -8.793 4.065 -5.838 453 HG3 GLN 64 HG1 GLN 64 -7.954 2.653 -5.197 454 HE21 GLN 64 HE21 GLN 64 -8.428 6.083 -4.906 455 HE22 GLN 64 HE22 GLN 64 -7.755 6.244 -3.322 456 H LYS 65 HN LYS 65 -7.054 5.278 -9.094 457 HA LYS 65 HA LYS 65 -5.300 4.355 -11.196 458 HB2 LYS 65 HB2 LYS 65 -6.856 6.877 -10.710 459 HB3 LYS 65 HB1 LYS 65 -5.611 6.827 -11.947 460 HG2 LYS 65 HG2 LYS 65 -7.822 6.450 -12.889 461 HG3 LYS 65 HG1 LYS 65 -6.790 5.038 -13.093 462 HD2 LYS 65 HD2 LYS 65 -7.906 3.874 -11.339 463 HD3 LYS 65 HD1 LYS 65 -8.785 5.325 -10.855 464 HE2 LYS 65 HE2 LYS 65 -9.066 4.057 -13.570 465 HE3 LYS 65 HE1 LYS 65 -10.085 3.623 -12.199 466 HZ1 LYS 65 HZ1 LYS 65 -9.828 6.365 -13.326 467 HZ2 LYS 65 HZ2 LYS 65 -10.858 5.886 -12.062 468 HZ3 LYS 65 HZ3 LYS 65 -11.108 5.297 -13.626 469 H ALA 66 HN ALA 66 -3.568 5.918 -11.931 470 HA ALA 66 HA ALA 66 -2.207 7.264 -9.723 471 HB1 ALA 66 HB1 ALA 66 -0.065 6.256 -10.315 472 HB2 ALA 66 HB2 ALA 66 -0.855 5.271 -11.545 473 HB3 ALA 66 HB3 ALA 66 -1.228 5.016 -9.840 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -1.558 -2.936 -1.994 2 H2 MET 1 HT2 MET 1 -2.590 -2.322 -3.195 3 H3 MET 1 HT3 MET 1 -3.059 -2.259 -1.567 4 HA MET 1 HA MET 1 -2.318 -0.104 -2.421 5 HB2 MET 1 HB2 MET 1 -0.553 -1.354 -0.306 6 HB3 MET 1 HB1 MET 1 -0.718 0.372 -0.587 7 HG2 MET 1 HG2 MET 1 -3.055 0.285 0.024 8 HG3 MET 1 HG1 MET 1 -2.966 -1.463 0.216 9 HE1 MET 1 HE1 MET 1 -3.407 -0.212 3.901 10 HE2 MET 1 HE2 MET 1 -4.029 -1.272 2.638 11 HE3 MET 1 HE3 MET 1 -4.138 0.479 2.452 12 H GLU 2 HN GLU 2 -0.819 -2.508 -3.833 13 HA GLU 2 HA GLU 2 1.862 -1.480 -4.046 14 HB2 GLU 2 HB2 GLU 2 0.459 -3.821 -5.333 15 HB3 GLU 2 HB1 GLU 2 2.131 -3.399 -5.658 16 HG2 GLU 2 HG2 GLU 2 2.223 -5.112 -4.081 17 HG3 GLU 2 HG1 GLU 2 2.535 -3.637 -3.176 18 H GLN 3 HN GLN 3 2.855 -0.762 -5.893 19 HA GLN 3 HA GLN 3 1.124 0.303 -8.001 20 HB2 GLN 3 HB2 GLN 3 2.855 1.739 -6.827 21 HB3 GLN 3 HB1 GLN 3 4.091 0.732 -7.555 22 HG2 GLN 3 HG2 GLN 3 2.084 2.260 -9.183 23 HG3 GLN 3 HG1 GLN 3 3.616 2.951 -8.657 24 HE21 GLN 3 HE21 GLN 3 5.557 2.035 -9.448 25 HE22 GLN 3 HE22 GLN 3 5.580 1.166 -10.943 26 H GLY 4 HN GLY 4 0.808 -1.021 -9.698 27 HA2 GLY 4 HA2 GLY 4 3.053 -2.707 -10.577 28 HA3 GLY 4 HA1 GLY 4 1.496 -3.453 -10.247 29 H THR 5 HN THR 5 2.562 -3.791 -12.678 30 HA THR 5 HA THR 5 1.186 -1.871 -14.427 31 HB THR 5 HB THR 5 3.325 -3.871 -15.182 32 HG1 THR 5 HG1 THR 5 4.777 -2.249 -14.955 33 HG21 THR 5 HG21 THR 5 2.201 -1.497 -16.669 34 HG22 THR 5 HG22 THR 5 1.882 -3.190 -17.040 35 HG23 THR 5 HG23 THR 5 3.509 -2.539 -17.226 36 H VAL 6 HN VAL 6 -0.478 -2.542 -15.683 37 HA VAL 6 HA VAL 6 -1.661 -5.092 -15.240 38 HB VAL 6 HB VAL 6 -2.283 -3.120 -17.446 39 HG11 VAL 6 HG11 VAL 6 -3.194 -5.347 -17.853 40 HG12 VAL 6 HG12 VAL 6 -4.479 -4.195 -17.490 41 HG13 VAL 6 HG13 VAL 6 -3.946 -5.339 -16.258 42 HG21 VAL 6 HG21 VAL 6 -4.037 -2.275 -15.973 43 HG22 VAL 6 HG22 VAL 6 -2.444 -2.077 -15.242 44 HG23 VAL 6 HG23 VAL 6 -3.506 -3.376 -14.703 45 H LYS 7 HN LYS 7 -0.881 -6.918 -15.998 46 HA LYS 7 HA LYS 7 0.913 -7.107 -18.207 47 HB2 LYS 7 HB2 LYS 7 -0.606 -9.250 -16.706 48 HB3 LYS 7 HB1 LYS 7 0.690 -9.551 -17.852 49 HG2 LYS 7 HG2 LYS 7 2.309 -8.610 -16.424 50 HG3 LYS 7 HG1 LYS 7 1.079 -7.898 -15.376 51 HD2 LYS 7 HD2 LYS 7 2.179 -9.956 -14.455 52 HD3 LYS 7 HD1 LYS 7 0.421 -10.048 -14.562 53 HE2 LYS 7 HE2 LYS 7 0.622 -11.311 -16.650 54 HE3 LYS 7 HE1 LYS 7 2.377 -11.210 -16.543 55 HZ1 LYS 7 HZ1 LYS 7 2.397 -12.596 -14.665 56 HZ2 LYS 7 HZ2 LYS 7 1.333 -13.337 -15.752 57 HZ3 LYS 7 HZ3 LYS 7 0.723 -12.470 -14.424 58 H TRP 8 HN TRP 8 -2.136 -8.814 -17.724 59 HA TRP 8 HA TRP 8 -3.036 -8.089 -20.412 60 HB2 TRP 8 HB2 TRP 8 -3.004 -10.920 -19.316 61 HB3 TRP 8 HB1 TRP 8 -3.771 -10.427 -20.819 62 HD1 TRP 8 HD1 TRP 8 -0.446 -11.443 -19.365 63 HE1 TRP 8 HE1 TRP 8 1.317 -11.545 -21.241 64 HE3 TRP 8 HE3 TRP 8 -3.121 -9.231 -23.116 65 HZ2 TRP 8 HZ2 TRP 8 1.541 -10.783 -23.947 66 HZ3 TRP 8 HZ3 TRP 8 -2.060 -8.954 -25.317 67 HH2 TRP 8 HH2 TRP 8 0.223 -9.714 -25.722 68 H PHE 9 HN PHE 9 -5.183 -7.574 -20.406 69 HA PHE 9 HA PHE 9 -6.777 -8.527 -18.138 70 HB2 PHE 9 HB2 PHE 9 -6.133 -6.231 -17.616 71 HB3 PHE 9 HB1 PHE 9 -6.753 -5.682 -19.172 72 HD1 PHE 9 HD2 PHE 9 -7.938 -7.633 -16.218 73 HD2 PHE 9 HD1 PHE 9 -8.825 -4.704 -19.174 74 HE1 PHE 9 HE2 PHE 9 -10.163 -7.306 -15.220 75 HE2 PHE 9 HE1 PHE 9 -11.050 -4.374 -18.182 76 HZ PHE 9 HZ PHE 9 -11.722 -5.674 -16.203 77 H ASN 10 HN ASN 10 -8.040 -9.929 -19.158 78 HA ASN 10 HA ASN 10 -9.261 -9.295 -21.691 79 HB2 ASN 10 HB2 ASN 10 -9.613 -11.627 -19.804 80 HB3 ASN 10 HB1 ASN 10 -10.500 -11.459 -21.314 81 HD21 ASN 10 HD21 ASN 10 -9.396 -11.648 -23.276 82 HD22 ASN 10 HD22 ASN 10 -7.849 -12.418 -23.362 83 H ALA 11 HN ALA 11 -10.336 -7.394 -21.136 84 HA ALA 11 HA ALA 11 -12.230 -7.119 -19.079 85 HB1 ALA 11 HB1 ALA 11 -13.052 -5.194 -20.340 86 HB2 ALA 11 HB2 ALA 11 -12.129 -5.716 -21.748 87 HB3 ALA 11 HB3 ALA 11 -11.292 -5.217 -20.280 88 H GLU 12 HN GLU 12 -12.473 -8.433 -22.318 89 HA GLU 12 HA GLU 12 -15.312 -8.555 -22.413 90 HB2 GLU 12 HB2 GLU 12 -13.278 -10.223 -23.903 91 HB3 GLU 12 HB1 GLU 12 -14.980 -10.062 -24.315 92 HG2 GLU 12 HG2 GLU 12 -14.673 -7.705 -24.775 93 HG3 GLU 12 HG1 GLU 12 -12.980 -7.816 -24.300 94 H LYS 13 HN LYS 13 -12.875 -10.534 -20.962 95 HA LYS 13 HA LYS 13 -14.719 -12.765 -20.582 96 HB2 LYS 13 HB2 LYS 13 -11.823 -12.434 -19.772 97 HB3 LYS 13 HB1 LYS 13 -12.777 -13.890 -19.526 98 HG2 LYS 13 HG2 LYS 13 -12.170 -12.678 -22.211 99 HG3 LYS 13 HG1 LYS 13 -11.269 -14.006 -21.478 100 HD2 LYS 13 HD2 LYS 13 -13.347 -15.336 -21.414 101 HD3 LYS 13 HD1 LYS 13 -14.192 -14.012 -22.222 102 HE2 LYS 13 HE2 LYS 13 -12.731 -14.219 -24.148 103 HE3 LYS 13 HE1 LYS 13 -11.812 -15.489 -23.340 104 HZ1 LYS 13 HZ1 LYS 13 -14.660 -15.640 -24.188 105 HZ2 LYS 13 HZ2 LYS 13 -13.841 -16.847 -23.321 106 HZ3 LYS 13 HZ3 LYS 13 -13.348 -16.454 -24.893 107 H GLY 14 HN GLY 14 -13.057 -10.244 -18.777 108 HA2 GLY 14 HA2 GLY 14 -14.315 -9.176 -16.998 109 HA3 GLY 14 HA1 GLY 14 -14.931 -10.761 -16.558 110 H PHE 15 HN PHE 15 -11.588 -10.701 -17.342 111 HA PHE 15 HA PHE 15 -10.758 -10.212 -14.613 112 HB2 PHE 15 HB2 PHE 15 -9.773 -12.432 -14.262 113 HB3 PHE 15 HB1 PHE 15 -11.519 -12.524 -14.443 114 HD1 PHE 15 HD2 PHE 15 -8.290 -13.241 -16.044 115 HD2 PHE 15 HD1 PHE 15 -12.514 -13.698 -16.264 116 HE1 PHE 15 HE2 PHE 15 -8.008 -14.949 -17.791 117 HE2 PHE 15 HE1 PHE 15 -12.242 -15.410 -18.011 118 HZ PHE 15 HZ PHE 15 -9.987 -16.035 -18.776 119 H GLY 16 HN GLY 16 -8.409 -10.385 -14.325 120 HA2 GLY 16 HA2 GLY 16 -6.750 -10.621 -16.663 121 HA3 GLY 16 HA1 GLY 16 -6.945 -8.959 -16.124 122 H PHE 17 HN PHE 17 -4.475 -9.652 -16.090 123 HA PHE 17 HA PHE 17 -3.863 -10.362 -13.294 124 HB2 PHE 17 HB2 PHE 17 -2.235 -11.083 -15.742 125 HB3 PHE 17 HB1 PHE 17 -1.791 -11.430 -14.075 126 HD1 PHE 17 HD1 PHE 17 -3.090 -13.091 -12.777 127 HD2 PHE 17 HD2 PHE 17 -3.758 -12.454 -16.933 128 HE1 PHE 17 HE1 PHE 17 -4.259 -15.251 -12.917 129 HE2 PHE 17 HE2 PHE 17 -4.935 -14.611 -17.078 130 HZ PHE 17 HZ PHE 17 -5.185 -16.011 -15.069 131 H ILE 18 HN ILE 18 -2.767 -8.842 -12.235 132 HA ILE 18 HA ILE 18 -1.259 -6.841 -13.801 133 HB ILE 18 HB ILE 18 -2.336 -6.504 -10.991 134 HG12 ILE 18 HG12 ILE 18 -3.444 -5.426 -13.599 135 HG13 ILE 18 HG11 ILE 18 -4.168 -6.712 -12.639 136 HG21 ILE 18 HG21 ILE 18 -1.846 -4.119 -11.387 137 HG22 ILE 18 HG22 ILE 18 -1.139 -4.541 -12.947 138 HG23 ILE 18 HG23 ILE 18 -0.399 -5.124 -11.455 139 HD11 ILE 18 HD11 ILE 18 -5.296 -4.582 -12.296 140 HD12 ILE 18 HD12 ILE 18 -3.781 -3.864 -11.738 141 HD13 ILE 18 HD13 ILE 18 -4.542 -5.161 -10.809 142 H GLU 19 HN GLU 19 0.926 -6.654 -13.394 143 HA GLU 19 HA GLU 19 2.056 -8.899 -12.026 144 HB2 GLU 19 HB2 GLU 19 4.208 -8.115 -12.802 145 HB3 GLU 19 HB1 GLU 19 3.039 -8.052 -14.111 146 HG2 GLU 19 HG2 GLU 19 2.862 -5.682 -13.930 147 HG3 GLU 19 HG1 GLU 19 3.830 -5.669 -12.456 148 H ARG 20 HN ARG 20 3.135 -9.017 -10.180 149 HA ARG 20 HA ARG 20 3.334 -6.591 -8.521 150 HB2 ARG 20 HB2 ARG 20 1.920 -8.724 -7.858 151 HB3 ARG 20 HB1 ARG 20 3.489 -9.380 -7.428 152 HG2 ARG 20 HG2 ARG 20 3.831 -7.593 -5.830 153 HG3 ARG 20 HG1 ARG 20 2.301 -6.851 -6.306 154 HD2 ARG 20 HD2 ARG 20 1.172 -8.997 -5.643 155 HD3 ARG 20 HD1 ARG 20 2.711 -9.518 -4.963 156 HE ARG 20 HE ARG 20 1.884 -6.980 -3.945 157 HH11 ARG 20 HH11 ARG 20 1.360 -10.435 -3.635 158 HH12 ARG 20 HH12 ARG 20 0.868 -10.332 -1.973 159 HH21 ARG 20 HH21 ARG 20 1.174 -6.832 -1.769 160 HH22 ARG 20 HH22 ARG 20 0.760 -8.287 -0.905 161 H GLU 21 HN GLU 21 5.371 -6.203 -7.539 162 HA GLU 21 HA GLU 21 7.501 -6.700 -9.245 163 HB2 GLU 21 HB2 GLU 21 8.919 -5.653 -7.576 164 HB3 GLU 21 HB1 GLU 21 7.399 -4.787 -7.731 165 HG2 GLU 21 HG2 GLU 21 6.575 -5.813 -5.698 166 HG3 GLU 21 HG1 GLU 21 8.054 -6.762 -5.557 167 H ASN 22 HN ASN 22 6.426 -8.605 -6.552 168 HA ASN 22 HA ASN 22 8.897 -10.038 -6.241 169 HB2 ASN 22 HB2 ASN 22 7.417 -9.729 -4.332 170 HB3 ASN 22 HB1 ASN 22 6.121 -10.569 -5.172 171 HD21 ASN 22 HD21 ASN 22 9.207 -10.914 -3.593 172 HD22 ASN 22 HD22 ASN 22 9.104 -12.628 -3.335 173 H GLY 23 HN GLY 23 6.227 -10.258 -8.363 174 HA2 GLY 23 HA2 GLY 23 6.241 -11.808 -10.210 175 HA3 GLY 23 HA1 GLY 23 7.044 -12.977 -9.170 176 H ASP 24 HN ASP 24 5.007 -11.804 -7.122 177 HA ASP 24 HA ASP 24 2.994 -13.831 -7.457 178 HB2 ASP 24 HB2 ASP 24 3.892 -13.237 -5.235 179 HB3 ASP 24 HB1 ASP 24 3.292 -11.598 -5.424 180 H ASP 25 HN ASP 25 2.264 -12.961 -9.585 181 HA ASP 25 HA ASP 25 1.247 -10.303 -9.727 182 HB2 ASP 25 HB2 ASP 25 0.620 -10.787 -11.989 183 HB3 ASP 25 HB1 ASP 25 2.195 -11.502 -11.689 184 H VAL 26 HN VAL 26 -0.823 -9.563 -9.811 185 HA VAL 26 HA VAL 26 -2.541 -11.159 -8.073 186 HB VAL 26 HB VAL 26 -2.884 -8.238 -8.729 187 HG11 VAL 26 HG11 VAL 26 -3.917 -8.182 -6.497 188 HG12 VAL 26 HG12 VAL 26 -3.668 -9.922 -6.355 189 HG13 VAL 26 HG13 VAL 26 -4.748 -9.284 -7.594 190 HG21 VAL 26 HG21 VAL 26 -0.578 -8.564 -7.984 191 HG22 VAL 26 HG22 VAL 26 -1.157 -9.423 -6.555 192 HG23 VAL 26 HG23 VAL 26 -1.528 -7.711 -6.767 193 H PHE 27 HN PHE 27 -4.619 -11.667 -8.520 194 HA PHE 27 HA PHE 27 -5.415 -11.526 -11.321 195 HB2 PHE 27 HB2 PHE 27 -5.391 -13.689 -10.099 196 HB3 PHE 27 HB1 PHE 27 -6.609 -13.061 -8.998 197 HD1 PHE 27 HD2 PHE 27 -6.116 -13.386 -12.688 198 HD2 PHE 27 HD1 PHE 27 -8.749 -13.767 -9.365 199 HE1 PHE 27 HE2 PHE 27 -7.876 -14.234 -14.180 200 HE2 PHE 27 HE1 PHE 27 -10.510 -14.619 -10.857 201 HZ PHE 27 HZ PHE 27 -10.074 -14.852 -13.266 202 H VAL 28 HN VAL 28 -6.657 -9.859 -11.931 203 HA VAL 28 HA VAL 28 -8.246 -8.465 -9.904 204 HB VAL 28 HB VAL 28 -6.670 -7.127 -11.252 205 HG11 VAL 28 HG11 VAL 28 -7.157 -6.651 -13.603 206 HG12 VAL 28 HG12 VAL 28 -8.427 -7.875 -13.576 207 HG13 VAL 28 HG13 VAL 28 -6.745 -8.345 -13.335 208 HG21 VAL 28 HG21 VAL 28 -8.203 -5.324 -11.849 209 HG22 VAL 28 HG22 VAL 28 -8.641 -6.055 -10.305 210 HG23 VAL 28 HG23 VAL 28 -9.561 -6.447 -11.756 211 H HIS 29 HN HIS 29 -10.433 -7.967 -10.186 212 HA HIS 29 HA HIS 29 -11.849 -9.590 -12.207 213 HB2 HIS 29 HB2 HIS 29 -12.876 -8.638 -9.520 214 HB3 HIS 29 HB1 HIS 29 -13.785 -9.585 -10.684 215 HD1 HIS 29 HD1 HIS 29 -12.921 -10.307 -7.644 216 HD2 HIS 29 HD2 HIS 29 -11.379 -11.876 -11.180 217 HE1 HIS 29 HE1 HIS 29 -11.979 -12.560 -7.036 218 HE2 HIS 29 HE2 HIS 29 -11.215 -13.557 -9.218 219 H PHE 30 HN PHE 30 -13.501 -8.602 -13.400 220 HA PHE 30 HA PHE 30 -13.317 -5.829 -13.848 221 HB2 PHE 30 HB2 PHE 30 -15.167 -6.070 -15.347 222 HB3 PHE 30 HB1 PHE 30 -14.209 -7.540 -15.472 223 HD1 PHE 30 HD1 PHE 30 -15.027 -9.587 -14.139 224 HD2 PHE 30 HD2 PHE 30 -17.439 -6.167 -14.917 225 HE1 PHE 30 HE1 PHE 30 -17.051 -10.922 -13.715 226 HE2 PHE 30 HE2 PHE 30 -19.466 -7.495 -14.494 227 HZ PHE 30 HZ PHE 30 -19.273 -9.875 -13.890 228 H SER 31 HN SER 31 -15.172 -7.684 -11.606 229 HA SER 31 HA SER 31 -17.014 -5.583 -10.928 230 HB2 SER 31 HB2 SER 31 -16.409 -8.057 -9.307 231 HB3 SER 31 HB1 SER 31 -17.908 -7.130 -9.358 232 HG SER 31 HG SER 31 -18.512 -8.197 -11.065 233 H ALA 32 HN ALA 32 -13.797 -6.298 -10.168 234 HA ALA 32 HA ALA 32 -13.921 -5.141 -7.488 235 HB1 ALA 32 HB1 ALA 32 -11.614 -5.869 -7.264 236 HB2 ALA 32 HB2 ALA 32 -11.589 -6.364 -8.956 237 HB3 ALA 32 HB3 ALA 32 -12.632 -7.204 -7.807 238 H ILE 33 HN ILE 33 -13.017 -4.377 -10.720 239 HA ILE 33 HA ILE 33 -11.412 -2.089 -10.161 240 HB ILE 33 HB ILE 33 -13.087 -2.603 -12.628 241 HG12 ILE 33 HG12 ILE 33 -10.229 -3.432 -12.077 242 HG13 ILE 33 HG11 ILE 33 -11.612 -4.522 -12.083 243 HG21 ILE 33 HG21 ILE 33 -10.593 -0.955 -12.236 244 HG22 ILE 33 HG22 ILE 33 -12.224 -0.330 -12.472 245 HG23 ILE 33 HG23 ILE 33 -11.425 -1.220 -13.768 246 HD11 ILE 33 HD11 ILE 33 -10.390 -4.686 -14.153 247 HD12 ILE 33 HD12 ILE 33 -10.571 -2.952 -14.427 248 HD13 ILE 33 HD13 ILE 33 -11.992 -4.002 -14.445 249 H GLN 34 HN GLN 34 -12.045 0.148 -10.386 250 HA GLN 34 HA GLN 34 -14.565 0.782 -9.235 251 HB2 GLN 34 HB2 GLN 34 -13.854 3.177 -9.830 252 HB3 GLN 34 HB1 GLN 34 -12.863 2.291 -8.681 253 HG2 GLN 34 HG2 GLN 34 -11.261 1.784 -10.451 254 HG3 GLN 34 HG1 GLN 34 -12.258 2.667 -11.605 255 HE21 GLN 34 HE21 GLN 34 -9.481 3.094 -10.674 256 HE22 GLN 34 HE22 GLN 34 -9.442 4.737 -10.117 257 H GLY 35 HN GLY 35 -16.346 0.389 -10.358 258 HA2 GLY 35 HA2 GLY 35 -16.405 0.530 -13.227 259 HA3 GLY 35 HA1 GLY 35 -17.739 0.091 -12.174 260 H ASP 36 HN ASP 36 -15.847 2.861 -13.297 261 HA ASP 36 HA ASP 36 -18.351 4.420 -13.292 262 HB2 ASP 36 HB2 ASP 36 -16.774 5.360 -11.663 263 HB3 ASP 36 HB1 ASP 36 -15.528 5.460 -12.906 264 H GLY 37 HN GLY 37 -18.999 4.155 -15.354 265 HA2 GLY 37 HA2 GLY 37 -19.024 4.454 -17.635 266 HA3 GLY 37 HA1 GLY 37 -17.515 5.346 -17.483 267 H PHE 38 HN PHE 38 -16.631 4.335 -19.311 268 HA PHE 38 HA PHE 38 -15.990 1.489 -18.916 269 HB2 PHE 38 HB2 PHE 38 -16.205 3.113 -21.450 270 HB3 PHE 38 HB1 PHE 38 -15.481 1.509 -21.401 271 HD1 PHE 38 HD1 PHE 38 -16.848 -0.454 -20.890 272 HD2 PHE 38 HD2 PHE 38 -18.571 3.415 -21.308 273 HE1 PHE 38 HE1 PHE 38 -19.072 -1.475 -21.123 274 HE2 PHE 38 HE2 PHE 38 -20.800 2.400 -21.542 275 HZ PHE 38 HZ PHE 38 -21.052 -0.047 -21.447 276 H LYS 39 HN LYS 39 -14.447 2.590 -17.375 277 HA LYS 39 HA LYS 39 -11.988 3.429 -18.736 278 HB2 LYS 39 HB2 LYS 39 -12.740 3.565 -15.804 279 HB3 LYS 39 HB1 LYS 39 -11.246 4.174 -16.505 280 HG2 LYS 39 HG2 LYS 39 -12.414 5.850 -17.732 281 HG3 LYS 39 HG1 LYS 39 -13.975 5.144 -17.314 282 HD2 LYS 39 HD2 LYS 39 -13.574 5.681 -14.955 283 HD3 LYS 39 HD1 LYS 39 -12.023 6.404 -15.385 284 HE2 LYS 39 HE2 LYS 39 -13.128 8.082 -16.717 285 HE3 LYS 39 HE1 LYS 39 -14.690 7.311 -16.459 286 HZ1 LYS 39 HZ1 LYS 39 -13.026 8.441 -14.272 287 HZ2 LYS 39 HZ2 LYS 39 -14.628 7.884 -14.164 288 HZ3 LYS 39 HZ3 LYS 39 -14.274 9.285 -15.045 289 H SER 40 HN SER 40 -11.305 1.442 -19.463 290 HA SER 40 HA SER 40 -11.253 -0.844 -17.697 291 HB2 SER 40 HB2 SER 40 -11.936 -1.010 -20.086 292 HB3 SER 40 HB1 SER 40 -10.295 -0.577 -20.560 293 HG SER 40 HG SER 40 -10.508 -2.805 -20.596 294 H LEU 41 HN LEU 41 -9.151 -2.262 -18.043 295 HA LEU 41 HA LEU 41 -6.908 -0.615 -17.145 296 HB2 LEU 41 HB2 LEU 41 -7.289 -3.611 -17.099 297 HB3 LEU 41 HB1 LEU 41 -5.888 -2.765 -16.470 298 HG LEU 41 HG LEU 41 -8.710 -2.596 -15.415 299 HD11 LEU 41 HD11 LEU 41 -7.753 -3.643 -13.424 300 HD12 LEU 41 HD12 LEU 41 -6.191 -3.760 -14.236 301 HD13 LEU 41 HD13 LEU 41 -7.575 -4.668 -14.847 302 HD21 LEU 41 HD21 LEU 41 -6.211 -1.196 -14.472 303 HD22 LEU 41 HD22 LEU 41 -7.767 -1.196 -13.641 304 HD23 LEU 41 HD23 LEU 41 -7.611 -0.434 -15.224 305 H ASP 42 HN ASP 42 -5.378 -0.086 -18.524 306 HA ASP 42 HA ASP 42 -5.388 -1.212 -21.179 307 HB2 ASP 42 HB2 ASP 42 -5.165 1.215 -20.798 308 HB3 ASP 42 HB1 ASP 42 -3.641 0.936 -19.964 309 H GLU 43 HN GLU 43 -3.846 -2.442 -22.109 310 HA GLU 43 HA GLU 43 -2.185 -4.052 -20.491 311 HB2 GLU 43 HB2 GLU 43 -1.246 -4.777 -22.756 312 HB3 GLU 43 HB1 GLU 43 -2.965 -5.028 -22.490 313 HG2 GLU 43 HG2 GLU 43 -3.471 -3.024 -23.779 314 HG3 GLU 43 HG1 GLU 43 -1.750 -2.732 -24.014 315 H GLY 44 HN GLY 44 -0.317 -3.512 -19.582 316 HA2 GLY 44 HA2 GLY 44 1.888 -2.730 -19.515 317 HA3 GLY 44 HA1 GLY 44 1.632 -1.941 -21.063 318 H GLN 45 HN GLN 45 -0.776 -1.401 -18.698 319 HA GLN 45 HA GLN 45 0.185 1.343 -18.327 320 HB2 GLN 45 HB2 GLN 45 -2.107 0.999 -19.180 321 HB3 GLN 45 HB1 GLN 45 -2.507 0.102 -17.725 322 HG2 GLN 45 HG2 GLN 45 -2.157 2.106 -16.384 323 HG3 GLN 45 HG1 GLN 45 -1.723 3.006 -17.837 324 HE21 GLN 45 HE21 GLN 45 -3.319 3.502 -19.349 325 HE22 GLN 45 HE22 GLN 45 -5.008 3.436 -18.959 326 H ALA 46 HN ALA 46 0.798 2.121 -16.379 327 HA ALA 46 HA ALA 46 1.063 0.246 -14.177 328 HB1 ALA 46 HB1 ALA 46 2.376 1.980 -13.112 329 HB2 ALA 46 HB2 ALA 46 1.891 3.141 -14.346 330 HB3 ALA 46 HB3 ALA 46 2.912 1.771 -14.780 331 H VAL 47 HN VAL 47 -0.224 0.161 -12.445 332 HA VAL 47 HA VAL 47 -2.039 2.398 -11.891 333 HB VAL 47 HB VAL 47 -3.906 0.766 -11.488 334 HG11 VAL 47 HG11 VAL 47 -2.876 0.901 -14.323 335 HG12 VAL 47 HG12 VAL 47 -3.838 2.138 -13.511 336 HG13 VAL 47 HG13 VAL 47 -4.537 0.551 -13.841 337 HG21 VAL 47 HG21 VAL 47 -3.766 -1.435 -12.585 338 HG22 VAL 47 HG22 VAL 47 -2.588 -1.267 -11.284 339 HG23 VAL 47 HG23 VAL 47 -2.073 -1.126 -12.964 340 H THR 48 HN THR 48 -2.827 2.467 -9.752 341 HA THR 48 HA THR 48 -1.250 0.886 -7.849 342 HB THR 48 HB THR 48 -2.094 2.607 -6.176 343 HG1 THR 48 HG1 THR 48 -3.788 3.315 -7.762 344 HG21 THR 48 HG21 THR 48 -0.416 3.617 -8.476 345 HG22 THR 48 HG22 THR 48 0.176 2.673 -7.107 346 HG23 THR 48 HG23 THR 48 -0.464 4.297 -6.849 347 H PHE 49 HN PHE 49 -2.250 -0.899 -7.326 348 HA PHE 49 HA PHE 49 -5.183 -0.881 -7.034 349 HB2 PHE 49 HB2 PHE 49 -5.007 -3.335 -7.482 350 HB3 PHE 49 HB1 PHE 49 -4.450 -2.343 -8.825 351 HD1 PHE 49 HD1 PHE 49 -3.398 -4.534 -6.078 352 HD2 PHE 49 HD2 PHE 49 -2.163 -2.382 -9.528 353 HE1 PHE 49 HE1 PHE 49 -1.256 -5.740 -6.051 354 HE2 PHE 49 HE2 PHE 49 -0.013 -3.579 -9.509 355 HZ PHE 49 HZ PHE 49 0.442 -5.261 -7.769 356 H ASP 50 HN ASP 50 -6.075 -2.194 -5.294 357 HA ASP 50 HA ASP 50 -4.136 -2.566 -3.117 358 HB2 ASP 50 HB2 ASP 50 -6.325 -1.167 -2.860 359 HB3 ASP 50 HB1 ASP 50 -7.095 -2.745 -2.696 360 H VAL 51 HN VAL 51 -4.258 -4.519 -1.834 361 HA VAL 51 HA VAL 51 -4.850 -6.776 -3.617 362 HB VAL 51 HB VAL 51 -2.505 -6.639 -3.111 363 HG11 VAL 51 HG11 VAL 51 -1.612 -6.731 -0.851 364 HG12 VAL 51 HG12 VAL 51 -3.248 -6.728 -0.189 365 HG13 VAL 51 HG13 VAL 51 -2.646 -5.315 -1.061 366 HG21 VAL 51 HG21 VAL 51 -3.404 -8.880 -3.255 367 HG22 VAL 51 HG22 VAL 51 -3.809 -8.858 -1.538 368 HG23 VAL 51 HG23 VAL 51 -2.119 -8.828 -2.045 369 H GLU 52 HN GLU 52 -6.662 -7.765 -3.176 370 HA GLU 52 HA GLU 52 -7.476 -8.119 -0.368 371 HB2 GLU 52 HB2 GLU 52 -9.118 -8.305 -2.910 372 HB3 GLU 52 HB1 GLU 52 -9.737 -8.532 -1.281 373 HG2 GLU 52 HG2 GLU 52 -8.498 -5.976 -2.268 374 HG3 GLU 52 HG1 GLU 52 -10.229 -6.314 -2.283 375 H GLU 53 HN GLU 53 -6.855 -10.107 0.375 376 HA GLU 53 HA GLU 53 -6.495 -12.287 -1.465 377 HB2 GLU 53 HB2 GLU 53 -6.047 -13.653 0.570 378 HB3 GLU 53 HB1 GLU 53 -5.015 -12.243 0.408 379 HG2 GLU 53 HG2 GLU 53 -6.196 -11.082 2.110 380 HG3 GLU 53 HG1 GLU 53 -7.461 -12.310 2.152 381 H GLY 54 HN GLY 54 -8.056 -13.471 -2.255 382 HA2 GLY 54 HA2 GLY 54 -10.550 -13.671 -0.682 383 HA3 GLY 54 HA1 GLY 54 -10.543 -13.414 -2.419 384 H GLN 55 HN GLN 55 -10.945 -15.151 -3.591 385 HA GLN 55 HA GLN 55 -11.188 -17.671 -2.193 386 HB2 GLN 55 HB2 GLN 55 -11.984 -16.915 -5.008 387 HB3 GLN 55 HB1 GLN 55 -12.379 -18.430 -4.210 388 HG2 GLN 55 HG2 GLN 55 -14.320 -17.189 -4.007 389 HG3 GLN 55 HG1 GLN 55 -13.535 -16.970 -2.446 390 HE21 GLN 55 HE21 GLN 55 -14.388 -15.476 -5.461 391 HE22 GLN 55 HE22 GLN 55 -14.115 -13.840 -4.961 392 H ARG 56 HN ARG 56 -8.671 -16.310 -3.766 393 HA ARG 56 HA ARG 56 -7.387 -18.864 -4.063 394 HB2 ARG 56 HB2 ARG 56 -6.661 -18.458 -6.414 395 HB3 ARG 56 HB1 ARG 56 -8.371 -18.815 -6.238 396 HG2 ARG 56 HG2 ARG 56 -8.923 -16.473 -6.513 397 HG3 ARG 56 HG1 ARG 56 -7.207 -16.058 -6.594 398 HD2 ARG 56 HD2 ARG 56 -8.355 -16.223 -8.817 399 HD3 ARG 56 HD1 ARG 56 -6.936 -17.256 -8.637 400 HE ARG 56 HE ARG 56 -9.578 -18.410 -8.099 401 HH11 ARG 56 HH11 ARG 56 -6.795 -18.142 -10.233 402 HH12 ARG 56 HH12 ARG 56 -7.138 -19.637 -11.057 403 HH21 ARG 56 HH21 ARG 56 -10.027 -20.364 -9.218 404 HH22 ARG 56 HH22 ARG 56 -8.961 -20.875 -10.493 405 H GLY 57 HN GLY 57 -7.084 -16.398 -2.526 406 HA2 GLY 57 HA2 GLY 57 -5.094 -15.525 -1.630 407 HA3 GLY 57 HA1 GLY 57 -4.259 -15.968 -3.110 408 HA PRO 58 HA PRO 58 -4.367 -11.501 -3.395 409 HB2 PRO 58 HB2 PRO 58 -2.797 -11.336 -5.631 410 HB3 PRO 58 HB1 PRO 58 -2.166 -11.518 -3.992 411 HG2 PRO 58 HG2 PRO 58 -2.583 -13.586 -6.105 412 HG3 PRO 58 HG1 PRO 58 -1.228 -13.390 -4.978 413 HD2 PRO 58 HD2 PRO 58 -3.172 -15.219 -4.581 414 HD3 PRO 58 HD1 PRO 58 -2.371 -14.385 -3.232 415 H GLN 59 HN GLN 59 -6.401 -10.942 -3.993 416 HA GLN 59 HA GLN 59 -7.005 -11.040 -6.874 417 HB2 GLN 59 HB2 GLN 59 -8.908 -10.647 -4.550 418 HB3 GLN 59 HB1 GLN 59 -9.356 -10.711 -6.250 419 HG2 GLN 59 HG2 GLN 59 -8.616 -13.021 -6.378 420 HG3 GLN 59 HG1 GLN 59 -8.113 -12.964 -4.689 421 HE21 GLN 59 HE21 GLN 59 -10.427 -11.326 -3.929 422 HE22 GLN 59 HE22 GLN 59 -11.781 -12.402 -3.908 423 H ALA 60 HN ALA 60 -7.075 -9.153 -7.940 424 HA ALA 60 HA ALA 60 -6.252 -6.790 -6.495 425 HB1 ALA 60 HB1 ALA 60 -6.010 -5.771 -8.704 426 HB2 ALA 60 HB2 ALA 60 -6.748 -7.196 -9.440 427 HB3 ALA 60 HB3 ALA 60 -5.194 -7.334 -8.618 428 H ALA 61 HN ALA 61 -7.652 -5.532 -5.563 429 HA ALA 61 HA ALA 61 -10.125 -4.831 -6.988 430 HB1 ALA 61 HB1 ALA 61 -10.702 -6.366 -5.159 431 HB2 ALA 61 HB2 ALA 61 -11.327 -4.745 -4.857 432 HB3 ALA 61 HB3 ALA 61 -9.884 -5.305 -4.011 433 H ASN 62 HN ASN 62 -10.887 -2.680 -6.485 434 HA ASN 62 HA ASN 62 -10.512 -0.438 -6.384 435 HB2 ASN 62 HB2 ASN 62 -8.824 -1.329 -4.041 436 HB3 ASN 62 HB1 ASN 62 -9.077 0.366 -4.446 437 HD21 ASN 62 HD21 ASN 62 -9.867 -1.341 -2.121 438 HD22 ASN 62 HD22 ASN 62 -11.568 -1.062 -1.949 439 H VAL 63 HN VAL 63 -9.476 -0.799 -8.462 440 HA VAL 63 HA VAL 63 -6.566 -0.488 -8.441 441 HB VAL 63 HB VAL 63 -8.398 -0.994 -10.796 442 HG11 VAL 63 HG11 VAL 63 -6.356 -1.567 -11.992 443 HG12 VAL 63 HG12 VAL 63 -5.398 -1.191 -10.560 444 HG13 VAL 63 HG13 VAL 63 -6.287 0.089 -11.387 445 HG21 VAL 63 HG21 VAL 63 -7.551 -3.307 -10.718 446 HG22 VAL 63 HG22 VAL 63 -8.482 -2.879 -9.283 447 HG23 VAL 63 HG23 VAL 63 -6.721 -2.933 -9.207 448 H GLN 64 HN GLN 64 -6.043 1.588 -8.187 449 HA GLN 64 HA GLN 64 -7.718 3.657 -9.372 450 HB2 GLN 64 HB2 GLN 64 -6.932 3.813 -6.996 451 HB3 GLN 64 HB1 GLN 64 -5.288 3.973 -7.599 452 HG2 GLN 64 HG2 GLN 64 -6.269 6.131 -7.014 453 HG3 GLN 64 HG1 GLN 64 -5.866 6.032 -8.729 454 HE21 GLN 64 HE21 GLN 64 -8.419 6.163 -6.382 455 HE22 GLN 64 HE22 GLN 64 -9.709 6.469 -7.506 456 H LYS 65 HN LYS 65 -7.042 5.102 -10.887 457 HA LYS 65 HA LYS 65 -4.971 4.281 -12.676 458 HB2 LYS 65 HB2 LYS 65 -6.684 6.771 -12.556 459 HB3 LYS 65 HB1 LYS 65 -5.556 6.422 -13.858 460 HG2 LYS 65 HG2 LYS 65 -7.765 4.527 -13.126 461 HG3 LYS 65 HG1 LYS 65 -8.008 5.869 -14.247 462 HD2 LYS 65 HD2 LYS 65 -6.250 5.004 -15.688 463 HD3 LYS 65 HD1 LYS 65 -5.937 3.694 -14.550 464 HE2 LYS 65 HE2 LYS 65 -8.031 2.689 -14.981 465 HE3 LYS 65 HE1 LYS 65 -8.629 4.119 -15.821 466 HZ1 LYS 65 HZ1 LYS 65 -6.366 2.462 -16.796 467 HZ2 LYS 65 HZ2 LYS 65 -7.158 3.711 -17.626 468 HZ3 LYS 65 HZ3 LYS 65 -7.971 2.257 -17.304 469 H ALA 66 HN ALA 66 -2.906 4.943 -12.765 470 HA ALA 66 HA ALA 66 -2.007 6.801 -10.689 471 HB1 ALA 66 HB1 ALA 66 -0.409 4.871 -12.370 472 HB2 ALA 66 HB2 ALA 66 -0.966 4.582 -10.723 473 HB3 ALA 66 HB3 ALA 66 0.212 5.853 -11.043 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -0.852 -2.991 -0.179 2 H2 MET 1 HT2 MET 1 -1.112 -3.909 -1.582 3 H3 MET 1 HT3 MET 1 -2.420 -3.523 -0.566 4 HA MET 1 HA MET 1 -2.435 -2.174 -2.539 5 HB2 MET 1 HB2 MET 1 -3.246 -1.228 -0.389 6 HB3 MET 1 HB1 MET 1 -1.641 -0.572 -0.097 7 HG2 MET 1 HG2 MET 1 -1.832 0.831 -2.068 8 HG3 MET 1 HG1 MET 1 -3.412 0.139 -2.424 9 HE1 MET 1 HE1 MET 1 -4.479 2.584 -2.574 10 HE2 MET 1 HE2 MET 1 -2.870 3.244 -2.270 11 HE3 MET 1 HE3 MET 1 -4.249 3.813 -1.329 12 H GLU 2 HN GLU 2 -0.984 -2.254 -4.102 13 HA GLU 2 HA GLU 2 1.454 -0.681 -3.826 14 HB2 GLU 2 HB2 GLU 2 2.760 -2.551 -4.920 15 HB3 GLU 2 HB1 GLU 2 2.311 -2.821 -3.244 16 HG2 GLU 2 HG2 GLU 2 0.477 -3.861 -5.327 17 HG3 GLU 2 HG1 GLU 2 2.030 -4.669 -5.132 18 H GLN 3 HN GLN 3 2.626 -0.750 -6.071 19 HA GLN 3 HA GLN 3 0.558 -0.210 -8.069 20 HB2 GLN 3 HB2 GLN 3 2.334 1.046 -9.279 21 HB3 GLN 3 HB1 GLN 3 1.974 1.690 -7.687 22 HG2 GLN 3 HG2 GLN 3 4.288 -0.158 -8.178 23 HG3 GLN 3 HG1 GLN 3 4.411 1.589 -8.385 24 HE21 GLN 3 HE21 GLN 3 4.178 2.933 -6.551 25 HE22 GLN 3 HE22 GLN 3 4.450 2.311 -4.953 26 H GLY 4 HN GLY 4 0.329 -1.401 -9.817 27 HA2 GLY 4 HA2 GLY 4 2.479 -3.301 -10.508 28 HA3 GLY 4 HA1 GLY 4 0.806 -3.835 -10.380 29 H THR 5 HN THR 5 2.204 -4.217 -12.705 30 HA THR 5 HA THR 5 1.245 -2.101 -14.502 31 HB THR 5 HB THR 5 3.206 -4.311 -15.134 32 HG1 THR 5 HG1 THR 5 3.976 -2.840 -13.490 33 HG21 THR 5 HG21 THR 5 2.574 -1.718 -16.555 34 HG22 THR 5 HG22 THR 5 2.108 -3.332 -17.092 35 HG23 THR 5 HG23 THR 5 3.812 -2.882 -17.032 36 H VAL 6 HN VAL 6 -0.515 -2.480 -15.683 37 HA VAL 6 HA VAL 6 -1.946 -4.917 -15.557 38 HB VAL 6 HB VAL 6 -2.277 -2.664 -17.548 39 HG11 VAL 6 HG11 VAL 6 -3.387 -4.696 -18.288 40 HG12 VAL 6 HG12 VAL 6 -4.577 -3.498 -17.778 41 HG13 VAL 6 HG13 VAL 6 -4.182 -4.853 -16.721 42 HG21 VAL 6 HG21 VAL 6 -4.041 -1.856 -16.050 43 HG22 VAL 6 HG22 VAL 6 -2.462 -1.857 -15.262 44 HG23 VAL 6 HG23 VAL 6 -3.632 -3.126 -14.894 45 H LYS 7 HN LYS 7 -1.418 -6.734 -16.509 46 HA LYS 7 HA LYS 7 0.224 -6.714 -18.927 47 HB2 LYS 7 HB2 LYS 7 -0.574 -8.936 -17.036 48 HB3 LYS 7 HB1 LYS 7 0.443 -9.154 -18.455 49 HG2 LYS 7 HG2 LYS 7 1.249 -7.094 -16.490 50 HG3 LYS 7 HG1 LYS 7 1.448 -8.788 -16.041 51 HD2 LYS 7 HD2 LYS 7 2.466 -7.684 -18.647 52 HD3 LYS 7 HD1 LYS 7 3.427 -7.654 -17.166 53 HE2 LYS 7 HE2 LYS 7 2.292 -10.105 -18.513 54 HE3 LYS 7 HE1 LYS 7 3.984 -9.610 -18.495 55 HZ1 LYS 7 HZ1 LYS 7 2.360 -10.379 -16.123 56 HZ2 LYS 7 HZ2 LYS 7 3.969 -9.840 -16.072 57 HZ3 LYS 7 HZ3 LYS 7 3.589 -11.309 -16.838 58 H TRP 8 HN TRP 8 -2.697 -8.298 -17.674 59 HA TRP 8 HA TRP 8 -3.649 -8.555 -20.450 60 HB2 TRP 8 HB2 TRP 8 -4.285 -10.347 -18.089 61 HB3 TRP 8 HB1 TRP 8 -4.943 -10.521 -19.710 62 HD1 TRP 8 HD1 TRP 8 -1.670 -10.980 -17.751 63 HE1 TRP 8 HE1 TRP 8 -0.124 -12.542 -19.094 64 HE3 TRP 8 HE3 TRP 8 -4.447 -11.370 -22.027 65 HZ2 TRP 8 HZ2 TRP 8 -0.101 -13.782 -21.630 66 HZ3 TRP 8 HZ3 TRP 8 -3.594 -12.769 -23.862 67 HH2 TRP 8 HH2 TRP 8 -1.465 -13.949 -23.665 68 H PHE 9 HN PHE 9 -5.518 -7.601 -20.929 69 HA PHE 9 HA PHE 9 -7.259 -6.781 -18.707 70 HB2 PHE 9 HB2 PHE 9 -5.949 -4.828 -19.544 71 HB3 PHE 9 HB1 PHE 9 -6.648 -5.078 -21.139 72 HD1 PHE 9 HD2 PHE 9 -7.700 -4.570 -17.597 73 HD2 PHE 9 HD1 PHE 9 -8.537 -3.888 -21.714 74 HE1 PHE 9 HE2 PHE 9 -9.614 -3.159 -16.972 75 HE2 PHE 9 HE1 PHE 9 -10.454 -2.476 -21.092 76 HZ PHE 9 HZ PHE 9 -10.992 -2.109 -18.720 77 H ASN 10 HN ASN 10 -8.541 -8.591 -19.148 78 HA ASN 10 HA ASN 10 -9.649 -8.894 -21.814 79 HB2 ASN 10 HB2 ASN 10 -10.068 -10.505 -19.291 80 HB3 ASN 10 HB1 ASN 10 -10.778 -10.891 -20.853 81 HD21 ASN 10 HD21 ASN 10 -7.893 -10.878 -18.946 82 HD22 ASN 10 HD22 ASN 10 -6.931 -11.836 -20.022 83 H ALA 11 HN ALA 11 -10.672 -6.801 -21.706 84 HA ALA 11 HA ALA 11 -12.622 -6.072 -19.823 85 HB1 ALA 11 HB1 ALA 11 -11.536 -4.477 -21.325 86 HB2 ALA 11 HB2 ALA 11 -13.294 -4.380 -21.438 87 HB3 ALA 11 HB3 ALA 11 -12.374 -5.200 -22.698 88 H GLU 12 HN GLU 12 -12.852 -7.823 -22.870 89 HA GLU 12 HA GLU 12 -15.746 -7.899 -22.760 90 HB2 GLU 12 HB2 GLU 12 -13.758 -9.172 -24.647 91 HB3 GLU 12 HB1 GLU 12 -15.503 -9.308 -24.815 92 HG2 GLU 12 HG2 GLU 12 -15.681 -6.897 -25.080 93 HG3 GLU 12 HG1 GLU 12 -13.935 -6.740 -24.883 94 H LYS 13 HN LYS 13 -13.258 -9.649 -21.368 95 HA LYS 13 HA LYS 13 -14.761 -12.166 -21.394 96 HB2 LYS 13 HB2 LYS 13 -11.988 -11.663 -20.311 97 HB3 LYS 13 HB1 LYS 13 -12.753 -13.223 -20.569 98 HG2 LYS 13 HG2 LYS 13 -11.904 -11.261 -22.688 99 HG3 LYS 13 HG1 LYS 13 -11.146 -12.806 -22.308 100 HD2 LYS 13 HD2 LYS 13 -13.822 -13.418 -22.789 101 HD3 LYS 13 HD1 LYS 13 -13.401 -12.224 -24.018 102 HE2 LYS 13 HE2 LYS 13 -12.966 -14.460 -24.846 103 HE3 LYS 13 HE1 LYS 13 -11.451 -13.581 -24.646 104 HZ1 LYS 13 HZ1 LYS 13 -11.329 -15.875 -23.826 105 HZ2 LYS 13 HZ2 LYS 13 -12.544 -15.532 -22.691 106 HZ3 LYS 13 HZ3 LYS 13 -11.049 -14.746 -22.595 107 H GLY 14 HN GLY 14 -13.689 -9.599 -19.288 108 HA2 GLY 14 HA2 GLY 14 -15.086 -8.989 -17.452 109 HA3 GLY 14 HA1 GLY 14 -15.528 -10.677 -17.268 110 H PHE 15 HN PHE 15 -12.161 -9.881 -17.729 111 HA PHE 15 HA PHE 15 -11.562 -9.604 -14.947 112 HB2 PHE 15 HB2 PHE 15 -10.314 -11.714 -14.656 113 HB3 PHE 15 HB1 PHE 15 -12.032 -11.989 -14.905 114 HD1 PHE 15 HD2 PHE 15 -8.686 -12.380 -16.322 115 HD2 PHE 15 HD1 PHE 15 -12.845 -13.072 -16.907 116 HE1 PHE 15 HE2 PHE 15 -8.164 -13.953 -18.139 117 HE2 PHE 15 HE1 PHE 15 -12.328 -14.650 -18.721 118 HZ PHE 15 HZ PHE 15 -9.987 -15.089 -19.342 119 H GLY 16 HN GLY 16 -9.097 -9.828 -14.588 120 HA2 GLY 16 HA2 GLY 16 -7.526 -9.338 -16.982 121 HA3 GLY 16 HA1 GLY 16 -7.696 -7.968 -15.891 122 H PHE 17 HN PHE 17 -5.223 -8.768 -16.353 123 HA PHE 17 HA PHE 17 -4.437 -10.025 -13.818 124 HB2 PHE 17 HB2 PHE 17 -3.316 -10.677 -16.549 125 HB3 PHE 17 HB1 PHE 17 -2.515 -11.109 -15.044 126 HD1 PHE 17 HD1 PHE 17 -3.574 -12.733 -13.510 127 HD2 PHE 17 HD2 PHE 17 -5.141 -11.932 -17.383 128 HE1 PHE 17 HE1 PHE 17 -4.863 -14.825 -13.417 129 HE2 PHE 17 HE2 PHE 17 -6.435 -14.023 -17.296 130 HZ PHE 17 HZ PHE 17 -6.297 -15.472 -15.311 131 H ILE 18 HN ILE 18 -3.156 -8.731 -12.714 132 HA ILE 18 HA ILE 18 -1.461 -6.801 -14.181 133 HB ILE 18 HB ILE 18 -2.641 -6.354 -11.433 134 HG12 ILE 18 HG12 ILE 18 -3.578 -5.157 -14.053 135 HG13 ILE 18 HG11 ILE 18 -4.403 -6.465 -13.215 136 HG21 ILE 18 HG21 ILE 18 -0.590 -5.128 -11.875 137 HG22 ILE 18 HG22 ILE 18 -1.963 -4.026 -11.825 138 HG23 ILE 18 HG23 ILE 18 -1.269 -4.496 -13.375 139 HD11 ILE 18 HD11 ILE 18 -4.792 -4.991 -11.307 140 HD12 ILE 18 HD12 ILE 18 -5.477 -4.337 -12.796 141 HD13 ILE 18 HD13 ILE 18 -3.968 -3.683 -12.158 142 H GLU 19 HN GLU 19 0.680 -7.179 -13.848 143 HA GLU 19 HA GLU 19 1.373 -9.301 -12.026 144 HB2 GLU 19 HB2 GLU 19 3.564 -9.245 -13.032 145 HB3 GLU 19 HB1 GLU 19 2.345 -9.166 -14.296 146 HG2 GLU 19 HG2 GLU 19 2.712 -6.813 -14.584 147 HG3 GLU 19 HG1 GLU 19 3.797 -6.774 -13.195 148 H ARG 20 HN ARG 20 2.730 -9.238 -10.288 149 HA ARG 20 HA ARG 20 3.702 -6.593 -9.425 150 HB2 ARG 20 HB2 ARG 20 2.016 -7.657 -7.889 151 HB3 ARG 20 HB1 ARG 20 3.147 -8.986 -7.650 152 HG2 ARG 20 HG2 ARG 20 4.740 -6.890 -7.071 153 HG3 ARG 20 HG1 ARG 20 3.177 -6.251 -6.565 154 HD2 ARG 20 HD2 ARG 20 4.303 -8.903 -5.686 155 HD3 ARG 20 HD1 ARG 20 4.446 -7.411 -4.764 156 HE ARG 20 HE ARG 20 1.885 -7.471 -4.831 157 HH11 ARG 20 HH11 ARG 20 3.926 -10.311 -4.825 158 HH12 ARG 20 HH12 ARG 20 2.808 -11.275 -3.905 159 HH21 ARG 20 HH21 ARG 20 0.398 -8.754 -3.611 160 HH22 ARG 20 HH22 ARG 20 0.811 -10.398 -3.219 161 H GLU 21 HN GLU 21 5.817 -6.376 -9.583 162 HA GLU 21 HA GLU 21 8.047 -6.753 -9.643 163 HB2 GLU 21 HB2 GLU 21 7.317 -8.790 -7.539 164 HB3 GLU 21 HB1 GLU 21 8.945 -8.207 -7.856 165 HG2 GLU 21 HG2 GLU 21 6.612 -6.598 -6.856 166 HG3 GLU 21 HG1 GLU 21 8.044 -7.078 -5.944 167 H ASN 22 HN ASN 22 7.479 -10.075 -8.768 168 HA ASN 22 HA ASN 22 9.357 -11.158 -10.518 169 HB2 ASN 22 HB2 ASN 22 6.960 -12.552 -9.302 170 HB3 ASN 22 HB1 ASN 22 8.405 -13.335 -9.921 171 HD21 ASN 22 HD21 ASN 22 8.716 -14.337 -7.937 172 HD22 ASN 22 HD22 ASN 22 9.328 -13.484 -6.565 173 H GLY 23 HN GLY 23 6.197 -10.109 -11.172 174 HA2 GLY 23 HA2 GLY 23 5.230 -10.169 -13.367 175 HA3 GLY 23 HA1 GLY 23 6.110 -11.666 -13.671 176 H ASP 24 HN ASP 24 4.740 -11.294 -10.592 177 HA ASP 24 HA ASP 24 2.983 -13.511 -10.917 178 HB2 ASP 24 HB2 ASP 24 4.183 -12.611 -8.761 179 HB3 ASP 24 HB1 ASP 24 2.772 -11.568 -8.632 180 H ASP 25 HN ASP 25 1.578 -12.949 -12.564 181 HA ASP 25 HA ASP 25 0.102 -10.564 -12.694 182 HB2 ASP 25 HB2 ASP 25 -0.606 -13.279 -13.827 183 HB3 ASP 25 HB1 ASP 25 -1.358 -11.756 -14.288 184 H VAL 26 HN VAL 26 -1.061 -9.915 -11.025 185 HA VAL 26 HA VAL 26 -2.553 -11.675 -9.340 186 HB VAL 26 HB VAL 26 -2.665 -8.658 -9.568 187 HG11 VAL 26 HG11 VAL 26 -4.644 -9.506 -8.475 188 HG12 VAL 26 HG12 VAL 26 -3.589 -8.745 -7.283 189 HG13 VAL 26 HG13 VAL 26 -3.660 -10.504 -7.404 190 HG21 VAL 26 HG21 VAL 26 -1.167 -8.638 -7.638 191 HG22 VAL 26 HG22 VAL 26 -0.426 -9.470 -9.005 192 HG23 VAL 26 HG23 VAL 26 -1.098 -10.399 -7.666 193 H PHE 27 HN PHE 27 -4.650 -12.238 -9.457 194 HA PHE 27 HA PHE 27 -6.034 -11.685 -11.934 195 HB2 PHE 27 HB2 PHE 27 -5.950 -13.964 -10.975 196 HB3 PHE 27 HB1 PHE 27 -6.841 -13.396 -9.569 197 HD1 PHE 27 HD2 PHE 27 -7.090 -13.678 -13.267 198 HD2 PHE 27 HD1 PHE 27 -9.146 -13.512 -9.547 199 HE1 PHE 27 HE2 PHE 27 -9.202 -14.199 -14.415 200 HE2 PHE 27 HE1 PHE 27 -11.261 -14.029 -10.687 201 HZ PHE 27 HZ PHE 27 -11.290 -14.374 -13.126 202 H VAL 28 HN VAL 28 -7.633 -10.234 -12.199 203 HA VAL 28 HA VAL 28 -8.901 -9.139 -9.781 204 HB VAL 28 HB VAL 28 -7.124 -7.600 -10.550 205 HG11 VAL 28 HG11 VAL 28 -8.770 -7.361 -13.064 206 HG12 VAL 28 HG12 VAL 28 -7.173 -8.097 -12.931 207 HG13 VAL 28 HG13 VAL 28 -7.373 -6.369 -12.641 208 HG21 VAL 28 HG21 VAL 28 -9.065 -6.713 -9.382 209 HG22 VAL 28 HG22 VAL 28 -9.921 -6.534 -10.915 210 HG23 VAL 28 HG23 VAL 28 -8.481 -5.566 -10.590 211 H HIS 29 HN HIS 29 -11.015 -8.453 -9.978 212 HA HIS 29 HA HIS 29 -12.389 -9.126 -12.495 213 HB2 HIS 29 HB2 HIS 29 -13.349 -9.056 -9.634 214 HB3 HIS 29 HB1 HIS 29 -14.475 -9.037 -10.989 215 HD1 HIS 29 HD1 HIS 29 -13.545 -11.310 -8.664 216 HD2 HIS 29 HD2 HIS 29 -13.372 -11.417 -12.820 217 HE1 HIS 29 HE1 HIS 29 -13.499 -13.750 -9.281 218 HE2 HIS 29 HE2 HIS 29 -13.638 -13.781 -11.794 219 H PHE 30 HN PHE 30 -14.196 -7.682 -13.099 220 HA PHE 30 HA PHE 30 -13.359 -4.956 -12.977 221 HB2 PHE 30 HB2 PHE 30 -15.694 -6.365 -14.228 222 HB3 PHE 30 HB1 PHE 30 -15.621 -4.606 -14.193 223 HD1 PHE 30 HD1 PHE 30 -14.011 -7.650 -15.488 224 HD2 PHE 30 HD2 PHE 30 -14.121 -3.397 -15.582 225 HE1 PHE 30 HE1 PHE 30 -12.565 -7.660 -17.477 226 HE2 PHE 30 HE2 PHE 30 -12.677 -3.401 -17.573 227 HZ PHE 30 HZ PHE 30 -11.896 -5.533 -18.522 228 H SER 31 HN SER 31 -15.337 -6.877 -11.007 229 HA SER 31 HA SER 31 -16.967 -4.828 -9.893 230 HB2 SER 31 HB2 SER 31 -17.389 -7.313 -9.710 231 HB3 SER 31 HB1 SER 31 -16.060 -7.393 -8.556 232 HG SER 31 HG SER 31 -18.571 -6.131 -8.309 233 H ALA 32 HN ALA 32 -13.674 -5.745 -9.541 234 HA ALA 32 HA ALA 32 -13.366 -4.181 -7.077 235 HB1 ALA 32 HB1 ALA 32 -12.399 -6.431 -7.071 236 HB2 ALA 32 HB2 ALA 32 -11.151 -5.194 -6.917 237 HB3 ALA 32 HB3 ALA 32 -11.402 -6.005 -8.463 238 H ILE 33 HN ILE 33 -12.716 -4.177 -10.463 239 HA ILE 33 HA ILE 33 -10.839 -2.007 -10.419 240 HB ILE 33 HB ILE 33 -12.553 -3.047 -12.691 241 HG12 ILE 33 HG12 ILE 33 -9.658 -3.635 -12.015 242 HG13 ILE 33 HG11 ILE 33 -11.002 -4.737 -11.750 243 HG21 ILE 33 HG21 ILE 33 -10.929 -1.918 -14.158 244 HG22 ILE 33 HG22 ILE 33 -10.144 -1.234 -12.736 245 HG23 ILE 33 HG23 ILE 33 -11.802 -0.786 -13.127 246 HD11 ILE 33 HD11 ILE 33 -10.057 -3.716 -14.416 247 HD12 ILE 33 HD12 ILE 33 -11.410 -4.819 -14.155 248 HD13 ILE 33 HD13 ILE 33 -9.769 -5.324 -13.751 249 H GLN 34 HN GLN 34 -11.277 0.182 -10.821 250 HA GLN 34 HA GLN 34 -13.810 1.150 -9.993 251 HB2 GLN 34 HB2 GLN 34 -12.881 3.388 -10.673 252 HB3 GLN 34 HB1 GLN 34 -11.909 2.500 -9.510 253 HG2 GLN 34 HG2 GLN 34 -10.417 1.787 -11.317 254 HG3 GLN 34 HG1 GLN 34 -11.386 2.707 -12.466 255 HE21 GLN 34 HE21 GLN 34 -8.573 2.966 -11.730 256 HE22 GLN 34 HE22 GLN 34 -8.375 4.599 -11.206 257 H GLY 35 HN GLY 35 -15.501 0.643 -11.244 258 HA2 GLY 35 HA2 GLY 35 -15.294 1.046 -14.145 259 HA3 GLY 35 HA1 GLY 35 -16.540 0.120 -13.321 260 H ASP 36 HN ASP 36 -15.280 3.436 -13.478 261 HA ASP 36 HA ASP 36 -17.839 4.568 -12.822 262 HB2 ASP 36 HB2 ASP 36 -15.240 5.781 -13.750 263 HB3 ASP 36 HB1 ASP 36 -16.691 6.741 -13.499 264 H GLY 37 HN GLY 37 -19.086 3.516 -14.485 265 HA2 GLY 37 HA2 GLY 37 -20.291 3.667 -16.445 266 HA3 GLY 37 HA1 GLY 37 -19.418 5.152 -16.804 267 H PHE 38 HN PHE 38 -17.720 5.111 -18.181 268 HA PHE 38 HA PHE 38 -16.979 2.479 -19.264 269 HB2 PHE 38 HB2 PHE 38 -17.279 5.114 -20.711 270 HB3 PHE 38 HB1 PHE 38 -16.493 3.708 -21.417 271 HD1 PHE 38 HD1 PHE 38 -17.793 1.690 -21.925 272 HD2 PHE 38 HD2 PHE 38 -19.651 5.256 -20.534 273 HE1 PHE 38 HE1 PHE 38 -19.971 0.850 -22.698 274 HE2 PHE 38 HE2 PHE 38 -21.835 4.422 -21.300 275 HZ PHE 38 HZ PHE 38 -21.997 2.214 -22.383 276 H LYS 39 HN LYS 39 -15.133 2.067 -18.235 277 HA LYS 39 HA LYS 39 -12.926 3.970 -18.642 278 HB2 LYS 39 HB2 LYS 39 -13.403 2.189 -16.240 279 HB3 LYS 39 HB1 LYS 39 -11.925 3.095 -16.526 280 HG2 LYS 39 HG2 LYS 39 -14.665 4.272 -16.104 281 HG3 LYS 39 HG1 LYS 39 -13.358 4.221 -14.920 282 HD2 LYS 39 HD2 LYS 39 -11.971 5.573 -16.483 283 HD3 LYS 39 HD1 LYS 39 -13.377 5.706 -17.543 284 HE2 LYS 39 HE2 LYS 39 -14.630 6.758 -15.697 285 HE3 LYS 39 HE1 LYS 39 -13.177 6.690 -14.701 286 HZ1 LYS 39 HZ1 LYS 39 -13.306 8.854 -15.613 287 HZ2 LYS 39 HZ2 LYS 39 -13.607 8.271 -17.172 288 HZ3 LYS 39 HZ3 LYS 39 -12.078 8.054 -16.470 289 H SER 40 HN SER 40 -10.866 2.985 -19.033 290 HA SER 40 HA SER 40 -10.808 0.108 -19.416 291 HB2 SER 40 HB2 SER 40 -10.286 2.016 -21.712 292 HB3 SER 40 HB1 SER 40 -10.079 0.264 -21.758 293 HG SER 40 HG SER 40 -12.540 0.848 -20.866 294 H LEU 41 HN LEU 41 -8.939 -0.630 -18.699 295 HA LEU 41 HA LEU 41 -6.657 1.157 -18.433 296 HB2 LEU 41 HB2 LEU 41 -7.131 -1.681 -17.511 297 HB3 LEU 41 HB1 LEU 41 -5.603 -0.852 -17.313 298 HG LEU 41 HG LEU 41 -6.707 -0.729 -15.229 299 HD11 LEU 41 HD11 LEU 41 -5.619 1.327 -15.848 300 HD12 LEU 41 HD12 LEU 41 -7.078 1.677 -14.917 301 HD13 LEU 41 HD13 LEU 41 -7.077 1.886 -16.669 302 HD21 LEU 41 HD21 LEU 41 -8.965 0.111 -14.916 303 HD22 LEU 41 HD22 LEU 41 -8.964 -1.290 -15.988 304 HD23 LEU 41 HD23 LEU 41 -9.140 0.332 -16.657 305 H ASP 42 HN ASP 42 -4.773 0.936 -19.590 306 HA ASP 42 HA ASP 42 -5.010 -0.667 -22.007 307 HB2 ASP 42 HB2 ASP 42 -4.325 1.728 -22.124 308 HB3 ASP 42 HB1 ASP 42 -2.856 1.315 -21.243 309 H GLU 43 HN GLU 43 -3.512 -2.216 -22.645 310 HA GLU 43 HA GLU 43 -2.294 -3.706 -20.546 311 HB2 GLU 43 HB2 GLU 43 -2.041 -3.977 -23.549 312 HB3 GLU 43 HB1 GLU 43 -1.480 -5.162 -22.377 313 HG2 GLU 43 HG2 GLU 43 -3.713 -5.617 -21.661 314 HG3 GLU 43 HG1 GLU 43 -4.345 -4.284 -22.626 315 H GLY 44 HN GLY 44 -0.595 -2.864 -19.530 316 HA2 GLY 44 HA2 GLY 44 1.861 -2.531 -19.755 317 HA3 GLY 44 HA1 GLY 44 1.489 -1.522 -21.148 318 H GLN 45 HN GLN 45 -0.911 -1.004 -18.963 319 HA GLN 45 HA GLN 45 0.211 1.553 -18.161 320 HB2 GLN 45 HB2 GLN 45 -2.041 1.599 -18.990 321 HB3 GLN 45 HB1 GLN 45 -2.532 0.318 -17.893 322 HG2 GLN 45 HG2 GLN 45 -3.395 2.412 -17.114 323 HG3 GLN 45 HG1 GLN 45 -2.161 1.840 -15.994 324 HE21 GLN 45 HE21 GLN 45 -1.713 3.840 -15.169 325 HE22 GLN 45 HE22 GLN 45 -0.920 5.087 -16.070 326 H ALA 46 HN ALA 46 0.737 2.149 -16.091 327 HA ALA 46 HA ALA 46 0.846 0.032 -14.091 328 HB1 ALA 46 HB1 ALA 46 1.916 2.852 -13.975 329 HB2 ALA 46 HB2 ALA 46 2.831 1.426 -14.467 330 HB3 ALA 46 HB3 ALA 46 2.237 1.567 -12.811 331 H VAL 47 HN VAL 47 -0.427 -0.106 -12.356 332 HA VAL 47 HA VAL 47 -2.204 2.153 -11.713 333 HB VAL 47 HB VAL 47 -4.038 0.520 -11.255 334 HG11 VAL 47 HG11 VAL 47 -4.664 0.160 -13.607 335 HG12 VAL 47 HG12 VAL 47 -3.024 0.587 -14.096 336 HG13 VAL 47 HG13 VAL 47 -4.056 1.790 -13.322 337 HG21 VAL 47 HG21 VAL 47 -3.903 -1.718 -12.237 338 HG22 VAL 47 HG22 VAL 47 -2.675 -1.485 -10.993 339 HG23 VAL 47 HG23 VAL 47 -2.227 -1.416 -12.698 340 H THR 48 HN THR 48 -3.267 1.827 -9.535 341 HA THR 48 HA THR 48 -1.423 0.453 -7.695 342 HB THR 48 HB THR 48 -2.219 2.292 -6.032 343 HG1 THR 48 HG1 THR 48 -2.390 3.944 -8.288 344 HG21 THR 48 HG21 THR 48 -0.305 2.923 -8.284 345 HG22 THR 48 HG22 THR 48 0.087 2.097 -6.777 346 HG23 THR 48 HG23 THR 48 -0.388 3.794 -6.754 347 H PHE 49 HN PHE 49 -2.374 -1.164 -6.704 348 HA PHE 49 HA PHE 49 -5.246 -1.022 -6.110 349 HB2 PHE 49 HB2 PHE 49 -5.436 -3.405 -6.887 350 HB3 PHE 49 HB1 PHE 49 -5.124 -2.250 -8.178 351 HD1 PHE 49 HD1 PHE 49 -3.710 -4.964 -6.171 352 HD2 PHE 49 HD2 PHE 49 -3.047 -2.264 -9.384 353 HE1 PHE 49 HE1 PHE 49 -1.758 -6.287 -6.869 354 HE2 PHE 49 HE2 PHE 49 -1.089 -3.573 -10.084 355 HZ PHE 49 HZ PHE 49 -0.441 -5.588 -8.828 356 H ASP 50 HN ASP 50 -5.922 -2.766 -4.550 357 HA ASP 50 HA ASP 50 -3.658 -3.392 -2.760 358 HB2 ASP 50 HB2 ASP 50 -5.552 -2.053 -1.799 359 HB3 ASP 50 HB1 ASP 50 -6.595 -3.450 -2.046 360 H VAL 51 HN VAL 51 -2.960 -5.408 -2.692 361 HA VAL 51 HA VAL 51 -4.348 -7.468 -4.129 362 HB VAL 51 HB VAL 51 -1.834 -7.637 -2.460 363 HG11 VAL 51 HG11 VAL 51 -1.425 -9.746 -3.608 364 HG12 VAL 51 HG12 VAL 51 -2.958 -9.590 -4.464 365 HG13 VAL 51 HG13 VAL 51 -2.944 -9.809 -2.714 366 HG21 VAL 51 HG21 VAL 51 -1.594 -6.127 -4.356 367 HG22 VAL 51 HG22 VAL 51 -2.204 -7.377 -5.440 368 HG23 VAL 51 HG23 VAL 51 -0.663 -7.603 -4.613 369 H GLU 52 HN GLU 52 -5.958 -8.574 -3.310 370 HA GLU 52 HA GLU 52 -6.120 -9.118 -0.445 371 HB2 GLU 52 HB2 GLU 52 -8.166 -8.367 -1.506 372 HB3 GLU 52 HB1 GLU 52 -8.021 -9.595 -2.754 373 HG2 GLU 52 HG2 GLU 52 -9.693 -10.337 -1.276 374 HG3 GLU 52 HG1 GLU 52 -8.267 -11.315 -0.942 375 H GLU 53 HN GLU 53 -5.149 -10.909 0.281 376 HA GLU 53 HA GLU 53 -4.567 -13.066 -1.593 377 HB2 GLU 53 HB2 GLU 53 -3.659 -12.636 1.257 378 HB3 GLU 53 HB1 GLU 53 -3.136 -13.957 0.219 379 HG2 GLU 53 HG2 GLU 53 -2.181 -12.324 -1.346 380 HG3 GLU 53 HG1 GLU 53 -2.661 -11.022 -0.260 381 H GLY 54 HN GLY 54 -6.402 -14.187 -1.888 382 HA2 GLY 54 HA2 GLY 54 -7.915 -15.034 0.484 383 HA3 GLY 54 HA1 GLY 54 -8.545 -14.969 -1.156 384 H GLN 55 HN GLN 55 -9.207 -17.034 -1.379 385 HA GLN 55 HA GLN 55 -7.504 -19.214 -0.497 386 HB2 GLN 55 HB2 GLN 55 -10.246 -19.225 -1.780 387 HB3 GLN 55 HB1 GLN 55 -9.395 -20.662 -1.234 388 HG2 GLN 55 HG2 GLN 55 -10.865 -20.221 0.491 389 HG3 GLN 55 HG1 GLN 55 -9.354 -19.521 1.063 390 HE21 GLN 55 HE21 GLN 55 -12.559 -18.877 -0.105 391 HE22 GLN 55 HE22 GLN 55 -12.602 -17.206 0.344 392 H ARG 56 HN ARG 56 -8.713 -17.841 -3.504 393 HA ARG 56 HA ARG 56 -7.136 -19.835 -4.980 394 HB2 ARG 56 HB2 ARG 56 -9.547 -18.225 -5.818 395 HB3 ARG 56 HB1 ARG 56 -8.578 -19.169 -6.942 396 HG2 ARG 56 HG2 ARG 56 -9.127 -21.205 -5.810 397 HG3 ARG 56 HG1 ARG 56 -9.942 -20.317 -4.519 398 HD2 ARG 56 HD2 ARG 56 -10.789 -20.232 -7.410 399 HD3 ARG 56 HD1 ARG 56 -11.462 -21.352 -6.226 400 HE ARG 56 HE ARG 56 -11.888 -19.035 -5.005 401 HH11 ARG 56 HH11 ARG 56 -12.405 -19.911 -8.354 402 HH12 ARG 56 HH12 ARG 56 -13.752 -18.834 -8.554 403 HH21 ARG 56 HH21 ARG 56 -13.661 -17.622 -5.266 404 HH22 ARG 56 HH22 ARG 56 -14.462 -17.540 -6.817 405 H GLY 57 HN GLY 57 -5.209 -18.647 -4.620 406 HA2 GLY 57 HA2 GLY 57 -3.507 -17.363 -5.463 407 HA3 GLY 57 HA1 GLY 57 -4.563 -16.960 -6.807 408 HA PRO 58 HA PRO 58 -4.269 -13.124 -4.274 409 HB2 PRO 58 HB2 PRO 58 -2.744 -11.619 -5.875 410 HB3 PRO 58 HB1 PRO 58 -2.028 -12.789 -4.761 411 HG2 PRO 58 HG2 PRO 58 -2.420 -12.972 -7.707 412 HG3 PRO 58 HG1 PRO 58 -1.096 -13.593 -6.709 413 HD2 PRO 58 HD2 PRO 58 -3.277 -15.071 -7.674 414 HD3 PRO 58 HD1 PRO 58 -2.154 -15.577 -6.398 415 H GLN 59 HN GLN 59 -6.098 -12.005 -4.485 416 HA GLN 59 HA GLN 59 -7.053 -11.369 -7.193 417 HB2 GLN 59 HB2 GLN 59 -9.284 -11.011 -6.024 418 HB3 GLN 59 HB1 GLN 59 -8.711 -12.670 -6.116 419 HG2 GLN 59 HG2 GLN 59 -7.916 -12.523 -3.813 420 HG3 GLN 59 HG1 GLN 59 -8.497 -10.864 -3.717 421 HE21 GLN 59 HE21 GLN 59 -10.906 -11.450 -5.268 422 HE22 GLN 59 HE22 GLN 59 -11.959 -12.319 -4.203 423 H ALA 60 HN ALA 60 -7.074 -9.307 -7.811 424 HA ALA 60 HA ALA 60 -6.059 -7.320 -5.990 425 HB1 ALA 60 HB1 ALA 60 -5.338 -7.390 -8.338 426 HB2 ALA 60 HB2 ALA 60 -6.043 -5.833 -7.900 427 HB3 ALA 60 HB3 ALA 60 -6.982 -6.992 -8.839 428 H ALA 61 HN ALA 61 -7.280 -6.221 -4.644 429 HA ALA 61 HA ALA 61 -10.092 -5.702 -5.357 430 HB1 ALA 61 HB1 ALA 61 -9.841 -7.050 -3.338 431 HB2 ALA 61 HB2 ALA 61 -10.500 -5.462 -2.947 432 HB3 ALA 61 HB3 ALA 61 -8.801 -5.814 -2.629 433 H ASN 62 HN ASN 62 -10.703 -3.653 -5.640 434 HA ASN 62 HA ASN 62 -10.627 -1.409 -5.892 435 HB2 ASN 62 HB2 ASN 62 -8.837 -1.589 -3.464 436 HB3 ASN 62 HB1 ASN 62 -9.342 -0.064 -4.182 437 HD21 ASN 62 HD21 ASN 62 -10.311 -2.816 -2.328 438 HD22 ASN 62 HD22 ASN 62 -11.871 -2.225 -1.876 439 H VAL 63 HN VAL 63 -9.731 -1.257 -7.860 440 HA VAL 63 HA VAL 63 -6.802 -1.018 -8.005 441 HB VAL 63 HB VAL 63 -8.736 -1.594 -10.258 442 HG11 VAL 63 HG11 VAL 63 -5.720 -1.616 -10.195 443 HG12 VAL 63 HG12 VAL 63 -6.737 -0.432 -11.019 444 HG13 VAL 63 HG13 VAL 63 -6.725 -2.112 -11.556 445 HG21 VAL 63 HG21 VAL 63 -8.607 -3.464 -8.694 446 HG22 VAL 63 HG22 VAL 63 -6.848 -3.455 -8.820 447 HG23 VAL 63 HG23 VAL 63 -7.831 -3.861 -10.226 448 H GLN 64 HN GLN 64 -6.268 1.052 -7.828 449 HA GLN 64 HA GLN 64 -7.848 3.082 -9.254 450 HB2 GLN 64 HB2 GLN 64 -7.340 3.361 -6.787 451 HB3 GLN 64 HB1 GLN 64 -5.645 3.504 -7.221 452 HG2 GLN 64 HG2 GLN 64 -6.197 5.476 -8.596 453 HG3 GLN 64 HG1 GLN 64 -7.869 5.351 -8.051 454 HE21 GLN 64 HE21 GLN 64 -8.382 5.898 -5.932 455 HE22 GLN 64 HE22 GLN 64 -7.289 6.778 -4.917 456 H LYS 65 HN LYS 65 -6.376 4.877 -10.234 457 HA LYS 65 HA LYS 65 -4.268 3.507 -11.749 458 HB2 LYS 65 HB2 LYS 65 -5.876 5.972 -12.425 459 HB3 LYS 65 HB1 LYS 65 -4.546 5.364 -13.400 460 HG2 LYS 65 HG2 LYS 65 -5.779 3.270 -13.750 461 HG3 LYS 65 HG1 LYS 65 -7.118 3.917 -12.800 462 HD2 LYS 65 HD2 LYS 65 -6.043 5.131 -15.343 463 HD3 LYS 65 HD1 LYS 65 -7.494 4.132 -15.225 464 HE2 LYS 65 HE2 LYS 65 -8.511 5.769 -13.734 465 HE3 LYS 65 HE1 LYS 65 -7.053 6.759 -13.814 466 HZ1 LYS 65 HZ1 LYS 65 -8.790 7.558 -15.306 467 HZ2 LYS 65 HZ2 LYS 65 -8.788 6.074 -16.126 468 HZ3 LYS 65 HZ3 LYS 65 -7.411 7.070 -16.166 469 H ALA 66 HN ALA 66 -2.312 4.635 -12.226 470 HA ALA 66 HA ALA 66 -1.465 6.372 -10.048 471 HB1 ALA 66 HB1 ALA 66 0.798 5.990 -10.895 472 HB2 ALA 66 HB2 ALA 66 0.140 5.113 -12.276 473 HB3 ALA 66 HB3 ALA 66 -0.045 4.460 -10.648 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -0.284 2.145 -0.428 2 H2 MET 1 HT2 MET 1 -0.349 0.511 -0.889 3 H3 MET 1 HT3 MET 1 -0.586 1.730 -2.043 4 HA MET 1 HA MET 1 1.651 2.469 -1.854 5 HB2 MET 1 HB2 MET 1 3.253 1.317 -0.401 6 HB3 MET 1 HB1 MET 1 1.949 2.032 0.535 7 HG2 MET 1 HG2 MET 1 0.873 -0.167 0.688 8 HG3 MET 1 HG1 MET 1 2.220 -0.872 -0.206 9 HE1 MET 1 HE1 MET 1 2.772 -2.212 3.439 10 HE2 MET 1 HE2 MET 1 2.618 -2.655 1.739 11 HE3 MET 1 HE3 MET 1 1.240 -1.967 2.600 12 H GLU 2 HN GLU 2 0.077 -0.548 -2.159 13 HA GLU 2 HA GLU 2 2.204 -1.730 -3.730 14 HB2 GLU 2 HB2 GLU 2 0.397 -3.581 -4.014 15 HB3 GLU 2 HB1 GLU 2 1.209 -3.390 -2.471 16 HG2 GLU 2 HG2 GLU 2 -1.460 -2.134 -3.041 17 HG3 GLU 2 HG1 GLU 2 -1.296 -3.778 -2.426 18 H GLN 3 HN GLN 3 2.463 -1.226 -5.730 19 HA GLN 3 HA GLN 3 0.115 -0.580 -7.380 20 HB2 GLN 3 HB2 GLN 3 1.505 0.931 -8.684 21 HB3 GLN 3 HB1 GLN 3 1.546 1.397 -6.992 22 HG2 GLN 3 HG2 GLN 3 3.695 -0.234 -8.325 23 HG3 GLN 3 HG1 GLN 3 3.735 1.522 -8.194 24 HE21 GLN 3 HE21 GLN 3 4.056 2.465 -6.171 25 HE22 GLN 3 HE22 GLN 3 4.661 1.565 -4.826 26 H GLY 4 HN GLY 4 0.413 -1.057 -9.699 27 HA2 GLY 4 HA2 GLY 4 2.520 -2.877 -10.441 28 HA3 GLY 4 HA1 GLY 4 0.940 -3.638 -10.304 29 H THR 5 HN THR 5 2.273 -3.620 -12.699 30 HA THR 5 HA THR 5 0.959 -1.537 -14.288 31 HB THR 5 HB THR 5 3.014 -3.568 -15.185 32 HG1 THR 5 HG1 THR 5 3.328 -1.414 -13.655 33 HG21 THR 5 HG21 THR 5 2.004 -1.030 -16.475 34 HG22 THR 5 HG22 THR 5 1.662 -2.676 -17.009 35 HG23 THR 5 HG23 THR 5 3.307 -2.043 -17.096 36 H VAL 6 HN VAL 6 -0.659 -2.012 -15.697 37 HA VAL 6 HA VAL 6 -1.977 -4.526 -15.564 38 HB VAL 6 HB VAL 6 -2.313 -2.364 -17.654 39 HG11 VAL 6 HG11 VAL 6 -4.553 -3.313 -17.955 40 HG12 VAL 6 HG12 VAL 6 -4.165 -4.584 -16.795 41 HG13 VAL 6 HG13 VAL 6 -3.291 -4.488 -18.323 42 HG21 VAL 6 HG21 VAL 6 -2.623 -1.461 -15.416 43 HG22 VAL 6 HG22 VAL 6 -3.765 -2.752 -15.040 44 HG23 VAL 6 HG23 VAL 6 -4.164 -1.553 -16.272 45 H LYS 7 HN LYS 7 -1.022 -6.306 -16.337 46 HA LYS 7 HA LYS 7 0.758 -6.271 -18.578 47 HB2 LYS 7 HB2 LYS 7 -0.333 -8.345 -16.743 48 HB3 LYS 7 HB1 LYS 7 0.289 -8.882 -18.295 49 HG2 LYS 7 HG2 LYS 7 1.971 -7.085 -16.618 50 HG3 LYS 7 HG1 LYS 7 1.821 -8.785 -16.169 51 HD2 LYS 7 HD2 LYS 7 3.771 -8.496 -17.564 52 HD3 LYS 7 HD1 LYS 7 2.554 -9.411 -18.452 53 HE2 LYS 7 HE2 LYS 7 3.418 -7.854 -19.989 54 HE3 LYS 7 HE1 LYS 7 1.857 -7.211 -19.491 55 HZ1 LYS 7 HZ1 LYS 7 3.295 -5.929 -17.762 56 HZ2 LYS 7 HZ2 LYS 7 3.187 -5.370 -19.359 57 HZ3 LYS 7 HZ3 LYS 7 4.552 -6.236 -18.860 58 H TRP 8 HN TRP 8 -2.414 -7.761 -18.020 59 HA TRP 8 HA TRP 8 -3.276 -7.063 -20.668 60 HB2 TRP 8 HB2 TRP 8 -3.910 -9.551 -21.109 61 HB3 TRP 8 HB1 TRP 8 -2.271 -9.014 -21.450 62 HD1 TRP 8 HD1 TRP 8 -4.221 -10.973 -18.730 63 HE1 TRP 8 HE1 TRP 8 -2.572 -12.598 -17.593 64 HE3 TRP 8 HE3 TRP 8 0.093 -9.548 -21.094 65 HZ2 TRP 8 HZ2 TRP 8 0.180 -13.194 -17.694 66 HZ3 TRP 8 HZ3 TRP 8 2.189 -10.703 -20.518 67 HH2 TRP 8 HH2 TRP 8 2.230 -12.490 -18.852 68 H PHE 9 HN PHE 9 -5.454 -6.859 -20.764 69 HA PHE 9 HA PHE 9 -6.979 -7.953 -18.503 70 HB2 PHE 9 HB2 PHE 9 -8.374 -5.957 -18.430 71 HB3 PHE 9 HB1 PHE 9 -6.687 -5.520 -18.200 72 HD1 PHE 9 HD1 PHE 9 -5.427 -4.671 -20.308 73 HD2 PHE 9 HD2 PHE 9 -9.665 -4.830 -19.961 74 HE1 PHE 9 HE1 PHE 9 -5.636 -2.981 -22.085 75 HE2 PHE 9 HE2 PHE 9 -9.879 -3.148 -21.739 76 HZ PHE 9 HZ PHE 9 -7.863 -2.219 -22.802 77 H ASN 10 HN ASN 10 -8.203 -9.516 -19.272 78 HA ASN 10 HA ASN 10 -9.089 -9.411 -22.028 79 HB2 ASN 10 HB2 ASN 10 -8.183 -11.523 -20.974 80 HB3 ASN 10 HB1 ASN 10 -9.647 -11.583 -19.999 81 HD21 ASN 10 HD21 ASN 10 -8.509 -13.337 -22.146 82 HD22 ASN 10 HD22 ASN 10 -9.809 -13.532 -23.274 83 H ALA 11 HN ALA 11 -10.478 -7.688 -21.928 84 HA ALA 11 HA ALA 11 -12.610 -7.322 -20.177 85 HB1 ALA 11 HB1 ALA 11 -11.806 -5.609 -21.731 86 HB2 ALA 11 HB2 ALA 11 -13.549 -5.847 -21.868 87 HB3 ALA 11 HB3 ALA 11 -12.469 -6.531 -23.082 88 H GLU 12 HN GLU 12 -12.366 -9.366 -23.015 89 HA GLU 12 HA GLU 12 -15.103 -9.934 -23.361 90 HB2 GLU 12 HB2 GLU 12 -12.638 -11.545 -24.027 91 HB3 GLU 12 HB1 GLU 12 -14.263 -12.004 -24.516 92 HG2 GLU 12 HG2 GLU 12 -12.888 -9.438 -25.280 93 HG3 GLU 12 HG1 GLU 12 -12.997 -10.876 -26.296 94 H LYS 13 HN LYS 13 -12.672 -11.218 -21.221 95 HA LYS 13 HA LYS 13 -14.440 -13.329 -20.260 96 HB2 LYS 13 HB2 LYS 13 -11.569 -12.762 -20.147 97 HB3 LYS 13 HB1 LYS 13 -12.221 -13.344 -18.625 98 HG2 LYS 13 HG2 LYS 13 -11.395 -15.214 -19.829 99 HG3 LYS 13 HG1 LYS 13 -13.152 -15.304 -19.852 100 HD2 LYS 13 HD2 LYS 13 -11.696 -14.012 -22.123 101 HD3 LYS 13 HD1 LYS 13 -11.785 -15.769 -22.025 102 HE2 LYS 13 HE2 LYS 13 -14.278 -15.533 -21.845 103 HE3 LYS 13 HE1 LYS 13 -14.072 -13.816 -22.195 104 HZ1 LYS 13 HZ1 LYS 13 -13.335 -16.088 -23.959 105 HZ2 LYS 13 HZ2 LYS 13 -12.976 -14.466 -24.296 106 HZ3 LYS 13 HZ3 LYS 13 -14.592 -14.977 -24.211 107 H GLY 14 HN GLY 14 -13.571 -10.121 -19.511 108 HA2 GLY 14 HA2 GLY 14 -14.689 -8.746 -17.999 109 HA3 GLY 14 HA1 GLY 14 -15.364 -10.175 -17.234 110 H PHE 15 HN PHE 15 -11.950 -10.163 -17.759 111 HA PHE 15 HA PHE 15 -11.321 -8.940 -15.239 112 HB2 PHE 15 HB2 PHE 15 -10.314 -10.950 -14.209 113 HB3 PHE 15 HB1 PHE 15 -12.058 -11.070 -14.374 114 HD1 PHE 15 HD2 PHE 15 -8.848 -12.189 -15.855 115 HD2 PHE 15 HD1 PHE 15 -13.038 -12.862 -15.510 116 HE1 PHE 15 HE2 PHE 15 -8.585 -14.372 -16.955 117 HE2 PHE 15 HE1 PHE 15 -12.778 -15.053 -16.597 118 HZ PHE 15 HZ PHE 15 -10.550 -15.809 -17.325 119 H GLY 16 HN GLY 16 -9.058 -8.812 -14.814 120 HA2 GLY 16 HA2 GLY 16 -7.339 -9.474 -17.111 121 HA3 GLY 16 HA1 GLY 16 -7.341 -7.845 -16.446 122 H PHE 17 HN PHE 17 -4.964 -8.778 -16.392 123 HA PHE 17 HA PHE 17 -4.563 -9.685 -13.627 124 HB2 PHE 17 HB2 PHE 17 -3.151 -10.737 -16.080 125 HB3 PHE 17 HB1 PHE 17 -2.603 -11.031 -14.432 126 HD1 PHE 17 HD1 PHE 17 -3.976 -12.384 -12.898 127 HD2 PHE 17 HD2 PHE 17 -4.992 -11.926 -17.004 128 HE1 PHE 17 HE1 PHE 17 -5.478 -14.325 -12.740 129 HE2 PHE 17 HE2 PHE 17 -6.494 -13.868 -16.854 130 HZ PHE 17 HZ PHE 17 -6.739 -15.069 -14.719 131 H ILE 18 HN ILE 18 -3.272 -8.468 -12.506 132 HA ILE 18 HA ILE 18 -1.592 -6.480 -13.870 133 HB ILE 18 HB ILE 18 -2.412 -6.633 -10.958 134 HG12 ILE 18 HG12 ILE 18 -3.473 -4.841 -13.155 135 HG13 ILE 18 HG11 ILE 18 -4.313 -6.250 -12.515 136 HG21 ILE 18 HG21 ILE 18 -1.609 -4.319 -10.835 137 HG22 ILE 18 HG22 ILE 18 -1.078 -4.418 -12.515 138 HG23 ILE 18 HG23 ILE 18 -0.317 -5.432 -11.288 139 HD11 ILE 18 HD11 ILE 18 -4.459 -5.193 -10.336 140 HD12 ILE 18 HD12 ILE 18 -5.171 -4.163 -11.581 141 HD13 ILE 18 HD13 ILE 18 -3.569 -3.796 -10.939 142 H GLU 19 HN GLU 19 0.633 -6.435 -13.531 143 HA GLU 19 HA GLU 19 1.745 -8.933 -12.595 144 HB2 GLU 19 HB2 GLU 19 3.887 -8.050 -13.449 145 HB3 GLU 19 HB1 GLU 19 2.609 -8.017 -14.653 146 HG2 GLU 19 HG2 GLU 19 2.270 -5.598 -14.085 147 HG3 GLU 19 HG1 GLU 19 3.735 -5.703 -13.109 148 H ARG 20 HN ARG 20 2.852 -9.288 -10.781 149 HA ARG 20 HA ARG 20 3.285 -7.008 -8.970 150 HB2 ARG 20 HB2 ARG 20 1.832 -9.348 -8.563 151 HB3 ARG 20 HB1 ARG 20 3.347 -9.639 -7.724 152 HG2 ARG 20 HG2 ARG 20 2.027 -7.037 -7.239 153 HG3 ARG 20 HG1 ARG 20 1.246 -8.471 -6.575 154 HD2 ARG 20 HD2 ARG 20 4.130 -7.716 -6.119 155 HD3 ARG 20 HD1 ARG 20 2.814 -7.367 -5.000 156 HE ARG 20 HE ARG 20 3.423 -10.151 -5.775 157 HH11 ARG 20 HH11 ARG 20 3.188 -7.651 -3.329 158 HH12 ARG 20 HH12 ARG 20 3.286 -8.757 -1.996 159 HH21 ARG 20 HH21 ARG 20 3.545 -11.625 -3.988 160 HH22 ARG 20 HH22 ARG 20 3.472 -10.993 -2.374 161 H GLU 21 HN GLU 21 5.029 -7.962 -7.193 162 HA GLU 21 HA GLU 21 7.447 -7.572 -8.519 163 HB2 GLU 21 HB2 GLU 21 8.477 -8.148 -6.312 164 HB3 GLU 21 HB1 GLU 21 7.224 -6.916 -6.241 165 HG2 GLU 21 HG2 GLU 21 5.617 -8.671 -5.546 166 HG3 GLU 21 HG1 GLU 21 6.957 -9.813 -5.480 167 H ASN 22 HN ASN 22 5.930 -10.612 -7.472 168 HA ASN 22 HA ASN 22 8.326 -12.080 -8.296 169 HB2 ASN 22 HB2 ASN 22 5.745 -13.167 -7.147 170 HB3 ASN 22 HB1 ASN 22 7.247 -14.052 -7.364 171 HD21 ASN 22 HD21 ASN 22 5.498 -11.812 -5.428 172 HD22 ASN 22 HD22 ASN 22 6.634 -11.729 -4.118 173 H GLY 23 HN GLY 23 6.014 -10.731 -9.978 174 HA2 GLY 23 HA2 GLY 23 5.145 -11.211 -12.087 175 HA3 GLY 23 HA1 GLY 23 5.783 -12.849 -11.947 176 H ASP 24 HN ASP 24 4.067 -11.623 -9.288 177 HA ASP 24 HA ASP 24 2.090 -13.635 -9.380 178 HB2 ASP 24 HB2 ASP 24 1.824 -11.095 -7.782 179 HB3 ASP 24 HB1 ASP 24 1.239 -12.704 -7.380 180 H ASP 25 HN ASP 25 0.963 -13.500 -11.297 181 HA ASP 25 HA ASP 25 -0.270 -11.170 -12.268 182 HB2 ASP 25 HB2 ASP 25 -1.704 -12.727 -13.594 183 HB3 ASP 25 HB1 ASP 25 0.017 -13.046 -13.743 184 H VAL 26 HN VAL 26 -1.455 -9.996 -10.963 185 HA VAL 26 HA VAL 26 -3.193 -11.116 -8.969 186 HB VAL 26 HB VAL 26 -2.932 -8.242 -9.868 187 HG11 VAL 26 HG11 VAL 26 -3.824 -7.732 -7.622 188 HG12 VAL 26 HG12 VAL 26 -4.073 -9.459 -7.353 189 HG13 VAL 26 HG13 VAL 26 -4.968 -8.624 -8.624 190 HG21 VAL 26 HG21 VAL 26 -1.503 -9.717 -7.658 191 HG22 VAL 26 HG22 VAL 26 -1.424 -7.980 -7.946 192 HG23 VAL 26 HG23 VAL 26 -0.782 -9.100 -9.146 193 H PHE 27 HN PHE 27 -5.184 -11.752 -9.284 194 HA PHE 27 HA PHE 27 -6.544 -11.385 -11.765 195 HB2 PHE 27 HB2 PHE 27 -6.744 -13.444 -10.418 196 HB3 PHE 27 HB1 PHE 27 -7.516 -12.529 -9.130 197 HD1 PHE 27 HD2 PHE 27 -7.923 -13.944 -12.482 198 HD2 PHE 27 HD1 PHE 27 -9.823 -11.853 -9.299 199 HE1 PHE 27 HE2 PHE 27 -10.120 -14.402 -13.496 200 HE2 PHE 27 HE1 PHE 27 -12.021 -12.309 -10.302 201 HZ PHE 27 HZ PHE 27 -12.173 -13.583 -12.405 202 H VAL 28 HN VAL 28 -7.477 -9.481 -12.283 203 HA VAL 28 HA VAL 28 -9.031 -8.148 -10.164 204 HB VAL 28 HB VAL 28 -7.164 -6.749 -10.898 205 HG11 VAL 28 HG11 VAL 28 -8.414 -6.852 -13.637 206 HG12 VAL 28 HG12 VAL 28 -6.865 -7.553 -13.162 207 HG13 VAL 28 HG13 VAL 28 -7.083 -5.803 -13.147 208 HG21 VAL 28 HG21 VAL 28 -9.854 -5.719 -11.774 209 HG22 VAL 28 HG22 VAL 28 -8.438 -4.724 -11.436 210 HG23 VAL 28 HG23 VAL 28 -9.182 -5.664 -10.144 211 H HIS 29 HN HIS 29 -11.154 -7.988 -10.461 212 HA HIS 29 HA HIS 29 -12.240 -8.931 -13.029 213 HB2 HIS 29 HB2 HIS 29 -12.724 -10.109 -10.786 214 HB3 HIS 29 HB1 HIS 29 -13.735 -8.720 -10.415 215 HD1 HIS 29 HD1 HIS 29 -13.452 -11.391 -13.112 216 HD2 HIS 29 HD2 HIS 29 -16.302 -9.020 -11.240 217 HE1 HIS 29 HE1 HIS 29 -15.664 -12.148 -14.027 218 HE2 HIS 29 HE2 HIS 29 -17.381 -10.851 -12.714 219 H PHE 30 HN PHE 30 -14.032 -7.781 -13.989 220 HA PHE 30 HA PHE 30 -13.661 -5.017 -14.003 221 HB2 PHE 30 HB2 PHE 30 -15.537 -4.861 -15.489 222 HB3 PHE 30 HB1 PHE 30 -14.665 -6.338 -15.870 223 HD1 PHE 30 HD1 PHE 30 -15.650 -8.526 -15.355 224 HD2 PHE 30 HD2 PHE 30 -17.775 -4.910 -14.630 225 HE1 PHE 30 HE1 PHE 30 -17.748 -9.796 -15.174 226 HE2 PHE 30 HE2 PHE 30 -19.875 -6.179 -14.443 227 HZ PHE 30 HZ PHE 30 -19.862 -8.624 -14.715 228 H SER 31 HN SER 31 -15.746 -6.955 -12.023 229 HA SER 31 HA SER 31 -17.437 -4.855 -11.128 230 HB2 SER 31 HB2 SER 31 -16.806 -7.435 -9.682 231 HB3 SER 31 HB1 SER 31 -18.270 -6.459 -9.556 232 HG SER 31 HG SER 31 -19.034 -7.502 -11.200 233 H ALA 32 HN ALA 32 -14.197 -5.625 -10.469 234 HA ALA 32 HA ALA 32 -14.265 -4.278 -7.854 235 HB1 ALA 32 HB1 ALA 32 -13.302 -6.531 -7.863 236 HB2 ALA 32 HB2 ALA 32 -12.108 -5.312 -7.422 237 HB3 ALA 32 HB3 ALA 32 -12.099 -6.009 -9.041 238 H ILE 33 HN ILE 33 -13.296 -3.946 -11.110 239 HA ILE 33 HA ILE 33 -11.193 -2.056 -10.756 240 HB ILE 33 HB ILE 33 -13.008 -2.460 -13.144 241 HG12 ILE 33 HG12 ILE 33 -10.272 -3.629 -12.580 242 HG13 ILE 33 HG11 ILE 33 -11.789 -4.513 -12.464 243 HG21 ILE 33 HG21 ILE 33 -11.844 -0.323 -13.220 244 HG22 ILE 33 HG22 ILE 33 -11.199 -1.425 -14.436 245 HG23 ILE 33 HG23 ILE 33 -10.303 -1.136 -12.945 246 HD11 ILE 33 HD11 ILE 33 -12.161 -4.168 -14.859 247 HD12 ILE 33 HD12 ILE 33 -10.650 -5.017 -14.541 248 HD13 ILE 33 HD13 ILE 33 -10.628 -3.306 -14.965 249 H GLN 34 HN GLN 34 -11.257 0.181 -10.754 250 HA GLN 34 HA GLN 34 -13.626 1.537 -9.990 251 HB2 GLN 34 HB2 GLN 34 -12.285 3.613 -10.427 252 HB3 GLN 34 HB1 GLN 34 -11.498 2.467 -9.349 253 HG2 GLN 34 HG2 GLN 34 -10.032 1.735 -11.093 254 HG3 GLN 34 HG1 GLN 34 -10.906 2.683 -12.293 255 HE21 GLN 34 HE21 GLN 34 -8.096 2.759 -11.588 256 HE22 GLN 34 HE22 GLN 34 -7.764 4.375 -11.085 257 H GLY 35 HN GLY 35 -15.332 1.601 -11.370 258 HA2 GLY 35 HA2 GLY 35 -14.826 2.599 -14.072 259 HA3 GLY 35 HA1 GLY 35 -15.583 1.028 -13.912 260 H ASP 36 HN ASP 36 -16.240 4.073 -14.627 261 HA ASP 36 HA ASP 36 -18.882 4.205 -13.465 262 HB2 ASP 36 HB2 ASP 36 -17.666 5.727 -15.790 263 HB3 ASP 36 HB1 ASP 36 -19.222 6.079 -15.046 264 H GLY 37 HN GLY 37 -19.661 2.137 -14.044 265 HA2 GLY 37 HA2 GLY 37 -20.731 0.638 -15.460 266 HA3 GLY 37 HA1 GLY 37 -20.462 1.758 -16.795 267 H PHE 38 HN PHE 38 -18.232 1.933 -17.602 268 HA PHE 38 HA PHE 38 -16.407 -0.217 -16.883 269 HB2 PHE 38 HB2 PHE 38 -17.466 0.200 -19.682 270 HB3 PHE 38 HB1 PHE 38 -15.952 -0.635 -19.359 271 HD1 PHE 38 HD1 PHE 38 -16.023 -2.689 -17.869 272 HD2 PHE 38 HD2 PHE 38 -19.495 -0.940 -19.595 273 HE1 PHE 38 HE1 PHE 38 -17.249 -4.795 -17.524 274 HE2 PHE 38 HE2 PHE 38 -20.729 -3.040 -19.254 275 HZ PHE 38 HZ PHE 38 -19.607 -4.971 -18.216 276 H LYS 39 HN LYS 39 -14.392 0.539 -16.732 277 HA LYS 39 HA LYS 39 -13.639 2.896 -18.332 278 HB2 LYS 39 HB2 LYS 39 -12.867 2.284 -15.470 279 HB3 LYS 39 HB1 LYS 39 -12.104 3.532 -16.445 280 HG2 LYS 39 HG2 LYS 39 -15.051 3.472 -15.854 281 HG3 LYS 39 HG1 LYS 39 -13.876 4.314 -14.847 282 HD2 LYS 39 HD2 LYS 39 -14.176 4.839 -17.795 283 HD3 LYS 39 HD1 LYS 39 -15.085 5.717 -16.564 284 HE2 LYS 39 HE2 LYS 39 -12.076 5.559 -16.713 285 HE3 LYS 39 HE1 LYS 39 -13.043 6.909 -17.305 286 HZ1 LYS 39 HZ1 LYS 39 -12.166 7.375 -15.110 287 HZ2 LYS 39 HZ2 LYS 39 -12.896 5.981 -14.478 288 HZ3 LYS 39 HZ3 LYS 39 -13.853 7.259 -15.038 289 H SER 40 HN SER 40 -11.855 2.625 -19.538 290 HA SER 40 HA SER 40 -10.720 -0.039 -19.527 291 HB2 SER 40 HB2 SER 40 -9.670 0.709 -21.677 292 HB3 SER 40 HB1 SER 40 -11.430 0.818 -21.655 293 HG SER 40 HG SER 40 -9.709 3.000 -21.062 294 H LEU 41 HN LEU 41 -9.208 -0.268 -17.962 295 HA LEU 41 HA LEU 41 -6.952 1.565 -17.875 296 HB2 LEU 41 HB2 LEU 41 -7.647 -0.938 -16.344 297 HB3 LEU 41 HB1 LEU 41 -6.041 -0.245 -16.272 298 HG LEU 41 HG LEU 41 -7.241 0.481 -14.341 299 HD11 LEU 41 HD11 LEU 41 -7.108 2.724 -16.347 300 HD12 LEU 41 HD12 LEU 41 -5.777 2.131 -15.355 301 HD13 LEU 41 HD13 LEU 41 -7.165 2.908 -14.594 302 HD21 LEU 41 HD21 LEU 41 -9.375 1.479 -16.225 303 HD22 LEU 41 HD22 LEU 41 -9.328 1.767 -14.485 304 HD23 LEU 41 HD23 LEU 41 -9.514 0.126 -15.102 305 H ASP 42 HN ASP 42 -5.614 1.431 -19.550 306 HA ASP 42 HA ASP 42 -5.661 -0.891 -21.243 307 HB2 ASP 42 HB2 ASP 42 -5.565 1.480 -22.073 308 HB3 ASP 42 HB1 ASP 42 -3.902 1.552 -21.496 309 H GLU 43 HN GLU 43 -3.896 -2.149 -21.881 310 HA GLU 43 HA GLU 43 -2.250 -3.063 -19.802 311 HB2 GLU 43 HB2 GLU 43 -1.843 -3.474 -22.768 312 HB3 GLU 43 HB1 GLU 43 -1.219 -4.483 -21.472 313 HG2 GLU 43 HG2 GLU 43 -3.469 -5.153 -20.874 314 HG3 GLU 43 HG1 GLU 43 -4.131 -4.093 -22.118 315 H GLY 44 HN GLY 44 -0.597 -2.022 -18.941 316 HA2 GLY 44 HA2 GLY 44 1.749 -1.319 -19.450 317 HA3 GLY 44 HA1 GLY 44 1.039 -0.306 -20.701 318 H GLN 45 HN GLN 45 -1.247 -0.005 -18.601 319 HA GLN 45 HA GLN 45 -0.238 2.455 -17.507 320 HB2 GLN 45 HB2 GLN 45 -2.572 2.172 -18.354 321 HB3 GLN 45 HB1 GLN 45 -2.889 1.092 -17.006 322 HG2 GLN 45 HG2 GLN 45 -3.722 3.396 -16.669 323 HG3 GLN 45 HG1 GLN 45 -2.591 2.858 -15.427 324 HE21 GLN 45 HE21 GLN 45 -3.056 4.947 -18.178 325 HE22 GLN 45 HE22 GLN 45 -1.673 5.955 -17.893 326 H ALA 46 HN ALA 46 0.146 2.937 -15.374 327 HA ALA 46 HA ALA 46 0.595 0.623 -13.629 328 HB1 ALA 46 HB1 ALA 46 2.061 2.102 -12.343 329 HB2 ALA 46 HB2 ALA 46 1.644 3.448 -13.403 330 HB3 ALA 46 HB3 ALA 46 2.532 2.064 -14.042 331 H VAL 47 HN VAL 47 -0.825 0.225 -12.081 332 HA VAL 47 HA VAL 47 -2.462 2.460 -11.077 333 HB VAL 47 HB VAL 47 -4.342 0.880 -10.806 334 HG11 VAL 47 HG11 VAL 47 -4.974 0.768 -13.160 335 HG12 VAL 47 HG12 VAL 47 -3.301 1.069 -13.630 336 HG13 VAL 47 HG13 VAL 47 -4.216 2.314 -12.778 337 HG21 VAL 47 HG21 VAL 47 -4.296 -1.285 -11.944 338 HG22 VAL 47 HG22 VAL 47 -3.074 -1.201 -10.675 339 HG23 VAL 47 HG23 VAL 47 -2.602 -1.031 -12.367 340 H THR 48 HN THR 48 -3.413 2.063 -8.948 341 HA THR 48 HA THR 48 -1.726 0.346 -7.247 342 HB THR 48 HB THR 48 -2.556 2.041 -5.422 343 HG1 THR 48 HG1 THR 48 -2.561 3.771 -7.681 344 HG21 THR 48 HG21 THR 48 -0.450 2.836 -7.437 345 HG22 THR 48 HG22 THR 48 -0.210 1.748 -6.070 346 HG23 THR 48 HG23 THR 48 -0.588 3.448 -5.789 347 H PHE 49 HN PHE 49 -2.810 -0.959 -5.758 348 HA PHE 49 HA PHE 49 -5.730 -0.807 -5.784 349 HB2 PHE 49 HB2 PHE 49 -5.859 -3.279 -6.232 350 HB3 PHE 49 HB1 PHE 49 -5.343 -2.302 -7.602 351 HD1 PHE 49 HD1 PHE 49 -4.228 -4.673 -5.017 352 HD2 PHE 49 HD2 PHE 49 -3.173 -2.559 -8.556 353 HE1 PHE 49 HE1 PHE 49 -2.229 -6.085 -5.257 354 HE2 PHE 49 HE2 PHE 49 -1.167 -3.967 -8.801 355 HZ PHE 49 HZ PHE 49 -0.696 -5.733 -7.151 356 H ASP 50 HN ASP 50 -6.774 -2.079 -4.153 357 HA ASP 50 HA ASP 50 -5.119 -2.397 -1.778 358 HB2 ASP 50 HB2 ASP 50 -7.524 -1.374 -1.901 359 HB3 ASP 50 HB1 ASP 50 -8.050 -3.055 -1.923 360 H VAL 51 HN VAL 51 -3.970 -4.223 -1.758 361 HA VAL 51 HA VAL 51 -4.584 -6.460 -3.347 362 HB VAL 51 HB VAL 51 -2.291 -5.963 -2.798 363 HG11 VAL 51 HG11 VAL 51 -1.381 -6.334 -0.543 364 HG12 VAL 51 HG12 VAL 51 -3.018 -6.579 0.062 365 HG13 VAL 51 HG13 VAL 51 -2.545 -5.011 -0.591 366 HG21 VAL 51 HG21 VAL 51 -1.524 -8.201 -2.101 367 HG22 VAL 51 HG22 VAL 51 -2.803 -8.273 -3.314 368 HG23 VAL 51 HG23 VAL 51 -3.175 -8.596 -1.621 369 H GLU 52 HN GLU 52 -5.915 -8.072 -3.042 370 HA GLU 52 HA GLU 52 -6.748 -8.733 -0.299 371 HB2 GLU 52 HB2 GLU 52 -8.562 -7.762 -1.659 372 HB3 GLU 52 HB1 GLU 52 -8.324 -9.016 -2.868 373 HG2 GLU 52 HG2 GLU 52 -10.226 -9.567 -1.528 374 HG3 GLU 52 HG1 GLU 52 -8.932 -10.712 -1.180 375 H GLU 53 HN GLU 53 -6.729 -10.842 0.312 376 HA GLU 53 HA GLU 53 -5.354 -12.702 -1.500 377 HB2 GLU 53 HB2 GLU 53 -4.271 -12.260 0.676 378 HB3 GLU 53 HB1 GLU 53 -5.721 -12.802 1.506 379 HG2 GLU 53 HG2 GLU 53 -4.048 -14.529 1.552 380 HG3 GLU 53 HG1 GLU 53 -5.414 -15.040 0.562 381 H GLY 54 HN GLY 54 -6.177 -14.807 -1.831 382 HA2 GLY 54 HA2 GLY 54 -8.868 -15.356 -0.796 383 HA3 GLY 54 HA1 GLY 54 -8.672 -15.239 -2.538 384 H GLN 55 HN GLN 55 -9.633 -17.501 -2.049 385 HA GLN 55 HA GLN 55 -7.776 -19.500 -1.181 386 HB2 GLN 55 HB2 GLN 55 -10.428 -19.719 -2.606 387 HB3 GLN 55 HB1 GLN 55 -9.505 -21.098 -2.022 388 HG2 GLN 55 HG2 GLN 55 -9.686 -20.272 0.257 389 HG3 GLN 55 HG1 GLN 55 -10.587 -18.867 -0.312 390 HE21 GLN 55 HE21 GLN 55 -12.717 -19.119 -0.965 391 HE22 GLN 55 HE22 GLN 55 -13.628 -20.548 -0.622 392 H ARG 56 HN ARG 56 -8.831 -18.241 -4.297 393 HA ARG 56 HA ARG 56 -7.228 -20.092 -5.798 394 HB2 ARG 56 HB2 ARG 56 -8.511 -17.468 -6.569 395 HB3 ARG 56 HB1 ARG 56 -7.626 -18.486 -7.694 396 HG2 ARG 56 HG2 ARG 56 -9.262 -20.328 -7.107 397 HG3 ARG 56 HG1 ARG 56 -10.217 -19.081 -6.300 398 HD2 ARG 56 HD2 ARG 56 -11.000 -19.452 -8.590 399 HD3 ARG 56 HD1 ARG 56 -10.351 -17.823 -8.395 400 HE ARG 56 HE ARG 56 -8.860 -20.046 -9.652 401 HH11 ARG 56 HH11 ARG 56 -9.864 -16.683 -9.573 402 HH12 ARG 56 HH12 ARG 56 -8.747 -16.194 -10.808 403 HH21 ARG 56 HH21 ARG 56 -7.396 -19.409 -11.270 404 HH22 ARG 56 HH22 ARG 56 -7.340 -17.749 -11.790 405 H GLY 57 HN GLY 57 -6.781 -16.936 -4.387 406 HA2 GLY 57 HA2 GLY 57 -4.198 -16.767 -3.950 407 HA3 GLY 57 HA1 GLY 57 -4.192 -16.598 -5.701 408 HA PRO 58 HA PRO 58 -4.600 -12.369 -3.928 409 HB2 PRO 58 HB2 PRO 58 -2.942 -11.143 -5.675 410 HB3 PRO 58 HB1 PRO 58 -2.353 -12.001 -4.247 411 HG2 PRO 58 HG2 PRO 58 -2.451 -12.902 -7.096 412 HG3 PRO 58 HG1 PRO 58 -1.170 -13.132 -5.892 413 HD2 PRO 58 HD2 PRO 58 -2.990 -15.060 -6.558 414 HD3 PRO 58 HD1 PRO 58 -2.202 -14.962 -4.970 415 H GLN 59 HN GLN 59 -6.119 -10.942 -4.510 416 HA GLN 59 HA GLN 59 -6.697 -10.613 -7.371 417 HB2 GLN 59 HB2 GLN 59 -9.072 -10.507 -7.008 418 HB3 GLN 59 HB1 GLN 59 -8.478 -12.025 -6.358 419 HG2 GLN 59 HG2 GLN 59 -8.623 -9.823 -4.422 420 HG3 GLN 59 HG1 GLN 59 -10.170 -10.350 -5.082 421 HE21 GLN 59 HE21 GLN 59 -7.444 -12.485 -4.680 422 HE22 GLN 59 HE22 GLN 59 -8.122 -13.429 -3.404 423 H ALA 60 HN ALA 60 -7.632 -8.541 -7.914 424 HA ALA 60 HA ALA 60 -6.594 -6.478 -6.101 425 HB1 ALA 60 HB1 ALA 60 -7.218 -6.306 -9.048 426 HB2 ALA 60 HB2 ALA 60 -5.615 -6.512 -8.338 427 HB3 ALA 60 HB3 ALA 60 -6.519 -5.021 -8.061 428 H ALA 61 HN ALA 61 -8.151 -5.815 -4.778 429 HA ALA 61 HA ALA 61 -10.731 -5.031 -5.965 430 HB1 ALA 61 HB1 ALA 61 -10.928 -6.688 -4.165 431 HB2 ALA 61 HB2 ALA 61 -11.646 -5.145 -3.702 432 HB3 ALA 61 HB3 ALA 61 -10.064 -5.603 -3.074 433 H ASN 62 HN ASN 62 -11.545 -2.948 -5.459 434 HA ASN 62 HA ASN 62 -11.371 -0.690 -5.244 435 HB2 ASN 62 HB2 ASN 62 -9.522 -1.450 -2.966 436 HB3 ASN 62 HB1 ASN 62 -10.149 0.170 -3.249 437 HD21 ASN 62 HD21 ASN 62 -10.486 -1.637 -0.965 438 HD22 ASN 62 HD22 ASN 62 -12.194 -1.840 -0.775 439 H VAL 63 HN VAL 63 -10.391 -0.452 -7.269 440 HA VAL 63 HA VAL 63 -7.457 -0.304 -7.304 441 HB VAL 63 HB VAL 63 -9.364 -0.460 -9.650 442 HG11 VAL 63 HG11 VAL 63 -7.264 0.622 -10.224 443 HG12 VAL 63 HG12 VAL 63 -7.347 -0.981 -10.955 444 HG13 VAL 63 HG13 VAL 63 -6.361 -0.717 -9.517 445 HG21 VAL 63 HG21 VAL 63 -9.435 -2.512 -8.345 446 HG22 VAL 63 HG22 VAL 63 -7.676 -2.614 -8.383 447 HG23 VAL 63 HG23 VAL 63 -8.598 -2.784 -9.875 448 H GLN 64 HN GLN 64 -6.421 1.535 -7.667 449 HA GLN 64 HA GLN 64 -7.880 3.847 -8.758 450 HB2 GLN 64 HB2 GLN 64 -5.911 3.860 -6.456 451 HB3 GLN 64 HB1 GLN 64 -6.526 5.303 -7.249 452 HG2 GLN 64 HG2 GLN 64 -8.755 4.833 -6.502 453 HG3 GLN 64 HG1 GLN 64 -8.250 3.278 -5.845 454 HE21 GLN 64 HE21 GLN 64 -6.336 6.193 -5.583 455 HE22 GLN 64 HE22 GLN 64 -6.503 6.367 -3.869 456 H LYS 65 HN LYS 65 -6.037 5.602 -9.322 457 HA LYS 65 HA LYS 65 -4.105 4.135 -10.967 458 HB2 LYS 65 HB2 LYS 65 -4.943 7.039 -11.032 459 HB3 LYS 65 HB1 LYS 65 -3.760 6.313 -12.111 460 HG2 LYS 65 HG2 LYS 65 -5.461 4.859 -13.041 461 HG3 LYS 65 HG1 LYS 65 -6.656 5.511 -11.921 462 HD2 LYS 65 HD2 LYS 65 -5.167 7.133 -13.982 463 HD3 LYS 65 HD1 LYS 65 -6.803 6.504 -14.187 464 HE2 LYS 65 HE2 LYS 65 -7.601 7.834 -12.347 465 HE3 LYS 65 HE1 LYS 65 -5.962 8.355 -11.961 466 HZ1 LYS 65 HZ1 LYS 65 -7.201 10.050 -13.167 467 HZ2 LYS 65 HZ2 LYS 65 -7.416 8.991 -14.476 468 HZ3 LYS 65 HZ3 LYS 65 -5.859 9.522 -14.059 469 H ALA 66 HN ALA 66 -1.896 4.515 -10.850 470 HA ALA 66 HA ALA 66 -0.929 5.307 -8.266 471 HB1 ALA 66 HB1 ALA 66 0.604 4.539 -10.752 472 HB2 ALA 66 HB2 ALA 66 0.081 3.435 -9.481 473 HB3 ALA 66 HB3 ALA 66 1.269 4.687 -9.125 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -3.054 -2.583 -0.947 2 H2 MET 1 HT2 MET 1 -3.945 -2.248 -2.356 3 H3 MET 1 HT3 MET 1 -4.552 -1.779 -0.846 4 HA MET 1 HA MET 1 -3.605 0.066 -2.143 5 HB2 MET 1 HB2 MET 1 -2.263 0.970 -0.276 6 HB3 MET 1 HB1 MET 1 -3.751 0.219 0.282 7 HG2 MET 1 HG2 MET 1 -2.407 -1.835 0.787 8 HG3 MET 1 HG1 MET 1 -0.962 -0.882 0.449 9 HE1 MET 1 HE1 MET 1 -4.038 -1.420 2.792 10 HE2 MET 1 HE2 MET 1 -4.335 0.219 2.210 11 HE3 MET 1 HE3 MET 1 -3.910 -0.054 3.899 12 H GLU 2 HN GLU 2 -2.400 -2.322 -3.290 13 HA GLU 2 HA GLU 2 0.478 -1.916 -3.100 14 HB2 GLU 2 HB2 GLU 2 -0.566 -3.933 -4.984 15 HB3 GLU 2 HB1 GLU 2 0.706 -4.076 -3.783 16 HG2 GLU 2 HG2 GLU 2 -2.251 -4.191 -3.235 17 HG3 GLU 2 HG1 GLU 2 -1.168 -5.575 -3.336 18 H GLN 3 HN GLN 3 1.764 -1.693 -5.017 19 HA GLN 3 HA GLN 3 0.358 -0.394 -7.242 20 HB2 GLN 3 HB2 GLN 3 3.202 -0.213 -6.257 21 HB3 GLN 3 HB1 GLN 3 2.728 0.376 -7.843 22 HG2 GLN 3 HG2 GLN 3 1.199 1.953 -6.835 23 HG3 GLN 3 HG1 GLN 3 1.565 1.315 -5.233 24 HE21 GLN 3 HE21 GLN 3 2.813 3.127 -7.945 25 HE22 GLN 3 HE22 GLN 3 4.128 3.870 -7.092 26 H GLY 4 HN GLY 4 0.312 -1.352 -9.179 27 HA2 GLY 4 HA2 GLY 4 2.354 -3.312 -9.877 28 HA3 GLY 4 HA1 GLY 4 0.697 -3.899 -9.794 29 H THR 5 HN THR 5 1.887 -4.182 -12.140 30 HA THR 5 HA THR 5 0.702 -2.035 -13.782 31 HB THR 5 HB THR 5 3.087 -3.739 -14.547 32 HG1 THR 5 HG1 THR 5 2.865 -1.372 -13.108 33 HG21 THR 5 HG21 THR 5 1.735 -2.859 -16.424 34 HG22 THR 5 HG22 THR 5 3.350 -2.151 -16.365 35 HG23 THR 5 HG23 THR 5 1.960 -1.226 -15.793 36 H VAL 6 HN VAL 6 -0.690 -2.665 -15.363 37 HA VAL 6 HA VAL 6 -1.706 -5.333 -15.247 38 HB VAL 6 HB VAL 6 -2.345 -3.175 -17.268 39 HG11 VAL 6 HG11 VAL 6 -4.449 -4.396 -17.565 40 HG12 VAL 6 HG12 VAL 6 -3.877 -5.639 -16.452 41 HG13 VAL 6 HG13 VAL 6 -3.053 -5.384 -17.990 42 HG21 VAL 6 HG21 VAL 6 -3.685 -3.819 -14.643 43 HG22 VAL 6 HG22 VAL 6 -4.270 -2.657 -15.833 44 HG23 VAL 6 HG23 VAL 6 -2.739 -2.375 -15.003 45 H LYS 7 HN LYS 7 -0.846 -7.043 -16.237 46 HA LYS 7 HA LYS 7 1.112 -6.905 -18.287 47 HB2 LYS 7 HB2 LYS 7 -0.689 -9.211 -17.499 48 HB3 LYS 7 HB1 LYS 7 0.714 -9.340 -18.543 49 HG2 LYS 7 HG2 LYS 7 2.153 -8.670 -16.672 50 HG3 LYS 7 HG1 LYS 7 0.730 -8.583 -15.629 51 HD2 LYS 7 HD2 LYS 7 0.288 -10.955 -16.016 52 HD3 LYS 7 HD1 LYS 7 1.681 -11.049 -17.092 53 HE2 LYS 7 HE2 LYS 7 3.154 -10.472 -15.225 54 HE3 LYS 7 HE1 LYS 7 1.758 -10.385 -14.152 55 HZ1 LYS 7 HZ1 LYS 7 2.859 -12.505 -13.927 56 HZ2 LYS 7 HZ2 LYS 7 2.716 -12.806 -15.587 57 HZ3 LYS 7 HZ3 LYS 7 1.326 -12.734 -14.614 58 H TRP 8 HN TRP 8 -2.164 -8.188 -18.366 59 HA TRP 8 HA TRP 8 -2.903 -6.763 -20.726 60 HB2 TRP 8 HB2 TRP 8 -3.434 -8.835 -22.048 61 HB3 TRP 8 HB1 TRP 8 -1.714 -8.520 -21.872 62 HD1 TRP 8 HD1 TRP 8 -0.325 -10.183 -20.255 63 HE1 TRP 8 HE1 TRP 8 -0.778 -12.613 -19.540 64 HE3 TRP 8 HE3 TRP 8 -5.274 -10.478 -21.494 65 HZ2 TRP 8 HZ2 TRP 8 -2.946 -14.417 -19.511 66 HZ3 TRP 8 HZ3 TRP 8 -6.463 -12.594 -21.093 67 HH2 TRP 8 HH2 TRP 8 -5.323 -14.521 -20.123 68 H PHE 9 HN PHE 9 -5.235 -7.153 -21.200 69 HA PHE 9 HA PHE 9 -6.595 -8.317 -18.883 70 HB2 PHE 9 HB2 PHE 9 -7.967 -6.365 -18.522 71 HB3 PHE 9 HB1 PHE 9 -6.274 -5.906 -18.426 72 HD1 PHE 9 HD1 PHE 9 -5.340 -5.212 -20.928 73 HD2 PHE 9 HD2 PHE 9 -9.324 -4.836 -19.484 74 HE1 PHE 9 HE1 PHE 9 -5.751 -3.403 -22.544 75 HE2 PHE 9 HE2 PHE 9 -9.746 -3.036 -21.103 76 HZ PHE 9 HZ PHE 9 -7.959 -2.315 -22.636 77 H ASN 10 HN ASN 10 -8.489 -9.238 -19.248 78 HA ASN 10 HA ASN 10 -9.351 -9.564 -21.992 79 HB2 ASN 10 HB2 ASN 10 -10.519 -10.717 -19.443 80 HB3 ASN 10 HB1 ASN 10 -10.926 -11.208 -21.083 81 HD21 ASN 10 HD21 ASN 10 -9.406 -12.374 -22.298 82 HD22 ASN 10 HD22 ASN 10 -8.105 -13.217 -21.525 83 H ALA 11 HN ALA 11 -9.916 -7.348 -22.277 84 HA ALA 11 HA ALA 11 -11.614 -5.822 -20.721 85 HB1 ALA 11 HB1 ALA 11 -10.253 -4.946 -22.558 86 HB2 ALA 11 HB2 ALA 11 -11.935 -4.424 -22.682 87 HB3 ALA 11 HB3 ALA 11 -11.333 -5.718 -23.720 88 H GLU 12 HN GLU 12 -12.453 -8.176 -23.205 89 HA GLU 12 HA GLU 12 -15.248 -7.372 -23.071 90 HB2 GLU 12 HB2 GLU 12 -15.142 -9.529 -24.787 91 HB3 GLU 12 HB1 GLU 12 -15.100 -7.835 -25.249 92 HG2 GLU 12 HG2 GLU 12 -13.322 -8.916 -26.375 93 HG3 GLU 12 HG1 GLU 12 -12.606 -7.939 -25.096 94 H LYS 13 HN LYS 13 -13.203 -9.667 -21.615 95 HA LYS 13 HA LYS 13 -15.412 -11.492 -21.038 96 HB2 LYS 13 HB2 LYS 13 -12.647 -11.610 -19.838 97 HB3 LYS 13 HB1 LYS 13 -13.828 -12.902 -19.949 98 HG2 LYS 13 HG2 LYS 13 -12.245 -11.691 -22.199 99 HG3 LYS 13 HG1 LYS 13 -12.061 -13.300 -21.508 100 HD2 LYS 13 HD2 LYS 13 -14.398 -13.796 -22.264 101 HD3 LYS 13 HD1 LYS 13 -14.384 -12.247 -23.114 102 HE2 LYS 13 HE2 LYS 13 -12.223 -13.089 -24.204 103 HE3 LYS 13 HE1 LYS 13 -12.691 -14.678 -23.609 104 HZ1 LYS 13 HZ1 LYS 13 -14.812 -14.398 -24.828 105 HZ2 LYS 13 HZ2 LYS 13 -13.444 -14.435 -25.835 106 HZ3 LYS 13 HZ3 LYS 13 -14.202 -12.963 -25.495 107 H GLY 14 HN GLY 14 -13.448 -9.030 -19.513 108 HA2 GLY 14 HA2 GLY 14 -14.255 -7.669 -17.733 109 HA3 GLY 14 HA1 GLY 14 -15.328 -8.981 -17.255 110 H PHE 15 HN PHE 15 -11.928 -9.358 -18.038 111 HA PHE 15 HA PHE 15 -11.274 -9.737 -15.209 112 HB2 PHE 15 HB2 PHE 15 -10.689 -11.802 -17.349 113 HB3 PHE 15 HB1 PHE 15 -10.166 -11.885 -15.672 114 HD1 PHE 15 HD1 PHE 15 -12.057 -11.844 -13.889 115 HD2 PHE 15 HD2 PHE 15 -12.657 -12.824 -17.986 116 HE1 PHE 15 HE1 PHE 15 -14.135 -13.021 -13.298 117 HE2 PHE 15 HE2 PHE 15 -14.738 -14.002 -17.403 118 HZ PHE 15 HZ PHE 15 -15.479 -14.102 -15.057 119 H GLY 16 HN GLY 16 -8.838 -10.053 -14.949 120 HA2 GLY 16 HA2 GLY 16 -7.117 -9.346 -17.115 121 HA3 GLY 16 HA1 GLY 16 -7.410 -7.966 -16.066 122 H PHE 17 HN PHE 17 -4.869 -9.062 -16.457 123 HA PHE 17 HA PHE 17 -4.341 -10.191 -13.786 124 HB2 PHE 17 HB2 PHE 17 -2.955 -10.835 -16.394 125 HB3 PHE 17 HB1 PHE 17 -2.353 -11.329 -14.814 126 HD1 PHE 17 HD1 PHE 17 -3.627 -12.944 -13.459 127 HD2 PHE 17 HD2 PHE 17 -4.747 -11.975 -17.447 128 HE1 PHE 17 HE1 PHE 17 -5.016 -14.969 -13.556 129 HE2 PHE 17 HE2 PHE 17 -6.142 -13.999 -17.552 130 HZ PHE 17 HZ PHE 17 -6.277 -15.500 -15.604 131 H ILE 18 HN ILE 18 -3.231 -8.878 -12.551 132 HA ILE 18 HA ILE 18 -1.534 -6.813 -13.790 133 HB ILE 18 HB ILE 18 -2.572 -6.933 -10.948 134 HG12 ILE 18 HG12 ILE 18 -3.590 -5.255 -13.249 135 HG13 ILE 18 HG11 ILE 18 -4.380 -6.713 -12.659 136 HG21 ILE 18 HG21 ILE 18 -0.519 -5.627 -11.250 137 HG22 ILE 18 HG22 ILE 18 -1.893 -4.606 -10.827 138 HG23 ILE 18 HG23 ILE 18 -1.321 -4.668 -12.495 139 HD11 ILE 18 HD11 ILE 18 -3.925 -4.183 -11.092 140 HD12 ILE 18 HD12 ILE 18 -4.716 -5.644 -10.493 141 HD13 ILE 18 HD13 ILE 18 -5.452 -4.716 -11.801 142 H GLU 19 HN GLU 19 0.660 -6.742 -13.329 143 HA GLU 19 HA GLU 19 1.676 -9.099 -11.939 144 HB2 GLU 19 HB2 GLU 19 3.853 -8.542 -12.964 145 HB3 GLU 19 HB1 GLU 19 2.580 -8.786 -14.146 146 HG2 GLU 19 HG2 GLU 19 2.361 -6.364 -14.398 147 HG3 GLU 19 HG1 GLU 19 3.656 -6.133 -13.223 148 H ARG 20 HN ARG 20 2.488 -9.037 -10.011 149 HA ARG 20 HA ARG 20 3.197 -6.519 -8.740 150 HB2 ARG 20 HB2 ARG 20 1.927 -8.454 -7.623 151 HB3 ARG 20 HB1 ARG 20 3.460 -9.311 -7.601 152 HG2 ARG 20 HG2 ARG 20 4.425 -7.682 -6.142 153 HG3 ARG 20 HG1 ARG 20 3.015 -6.633 -6.300 154 HD2 ARG 20 HD2 ARG 20 1.636 -8.400 -5.254 155 HD3 ARG 20 HD1 ARG 20 3.095 -9.367 -5.027 156 HE ARG 20 HE ARG 20 3.919 -7.527 -3.590 157 HH11 ARG 20 HH11 ARG 20 0.477 -7.999 -4.087 158 HH12 ARG 20 HH12 ARG 20 0.023 -7.073 -2.686 159 HH21 ARG 20 HH21 ARG 20 3.306 -6.307 -1.739 160 HH22 ARG 20 HH22 ARG 20 1.622 -6.092 -1.368 161 H GLU 21 HN GLU 21 5.400 -6.792 -7.360 162 HA GLU 21 HA GLU 21 7.487 -6.777 -9.217 163 HB2 GLU 21 HB2 GLU 21 7.636 -7.067 -6.215 164 HB3 GLU 21 HB1 GLU 21 8.992 -6.664 -7.261 165 HG2 GLU 21 HG2 GLU 21 7.783 -4.629 -7.973 166 HG3 GLU 21 HG1 GLU 21 6.510 -5.019 -6.819 167 H ASN 22 HN ASN 22 5.975 -9.441 -7.796 168 HA ASN 22 HA ASN 22 8.285 -11.207 -8.158 169 HB2 ASN 22 HB2 ASN 22 5.571 -11.576 -6.900 170 HB3 ASN 22 HB1 ASN 22 6.609 -12.948 -7.270 171 HD21 ASN 22 HD21 ASN 22 5.614 -11.833 -4.717 172 HD22 ASN 22 HD22 ASN 22 7.038 -11.572 -3.761 173 H GLY 23 HN GLY 23 5.966 -9.948 -10.095 174 HA2 GLY 23 HA2 GLY 23 5.086 -10.662 -12.127 175 HA3 GLY 23 HA1 GLY 23 5.852 -12.230 -11.875 176 H ASP 24 HN ASP 24 4.330 -11.407 -9.115 177 HA ASP 24 HA ASP 24 2.473 -13.463 -9.119 178 HB2 ASP 24 HB2 ASP 24 3.334 -12.458 -7.073 179 HB3 ASP 24 HB1 ASP 24 2.544 -10.934 -7.460 180 H ASP 25 HN ASP 25 1.150 -13.486 -10.835 181 HA ASP 25 HA ASP 25 -0.421 -11.469 -11.880 182 HB2 ASP 25 HB2 ASP 25 -1.014 -14.421 -11.630 183 HB3 ASP 25 HB1 ASP 25 -2.001 -13.308 -12.570 184 H VAL 26 HN VAL 26 -1.398 -10.113 -10.472 185 HA VAL 26 HA VAL 26 -3.243 -11.105 -8.481 186 HB VAL 26 HB VAL 26 -2.965 -8.265 -9.481 187 HG11 VAL 26 HG11 VAL 26 -4.029 -9.404 -6.898 188 HG12 VAL 26 HG12 VAL 26 -4.987 -8.699 -8.201 189 HG13 VAL 26 HG13 VAL 26 -3.877 -7.688 -7.276 190 HG21 VAL 26 HG21 VAL 26 -0.790 -9.088 -8.730 191 HG22 VAL 26 HG22 VAL 26 -1.504 -9.590 -7.197 192 HG23 VAL 26 HG23 VAL 26 -1.435 -7.879 -7.622 193 H PHE 27 HN PHE 27 -5.212 -11.755 -8.972 194 HA PHE 27 HA PHE 27 -6.176 -11.420 -11.676 195 HB2 PHE 27 HB2 PHE 27 -6.253 -13.616 -10.539 196 HB3 PHE 27 HB1 PHE 27 -7.360 -12.947 -9.348 197 HD1 PHE 27 HD2 PHE 27 -6.997 -13.653 -12.969 198 HD2 PHE 27 HD1 PHE 27 -9.661 -12.959 -9.724 199 HE1 PHE 27 HE2 PHE 27 -8.898 -14.275 -14.401 200 HE2 PHE 27 HE1 PHE 27 -11.565 -13.586 -11.149 201 HZ PHE 27 HZ PHE 27 -11.184 -14.244 -13.490 202 H VAL 28 HN VAL 28 -7.354 -9.719 -12.229 203 HA VAL 28 HA VAL 28 -9.180 -8.591 -10.223 204 HB VAL 28 HB VAL 28 -7.494 -7.049 -11.289 205 HG11 VAL 28 HG11 VAL 28 -9.186 -7.491 -13.738 206 HG12 VAL 28 HG12 VAL 28 -7.479 -7.890 -13.541 207 HG13 VAL 28 HG13 VAL 28 -7.997 -6.203 -13.547 208 HG21 VAL 28 HG21 VAL 28 -10.403 -6.383 -11.701 209 HG22 VAL 28 HG22 VAL 28 -9.084 -5.215 -11.634 210 HG23 VAL 28 HG23 VAL 28 -9.483 -6.177 -10.210 211 H HIS 29 HN HIS 29 -11.347 -8.118 -10.849 212 HA HIS 29 HA HIS 29 -12.348 -9.563 -13.177 213 HB2 HIS 29 HB2 HIS 29 -14.095 -10.681 -11.723 214 HB3 HIS 29 HB1 HIS 29 -12.460 -11.296 -11.554 215 HD1 HIS 29 HD1 HIS 29 -15.237 -10.632 -9.536 216 HD2 HIS 29 HD2 HIS 29 -11.181 -9.767 -9.179 217 HE1 HIS 29 HE1 HIS 29 -14.838 -10.217 -7.084 218 HE2 HIS 29 HE2 HIS 29 -12.419 -9.520 -6.921 219 H PHE 30 HN PHE 30 -14.735 -9.191 -13.476 220 HA PHE 30 HA PHE 30 -15.153 -6.495 -13.826 221 HB2 PHE 30 HB2 PHE 30 -17.540 -7.099 -14.295 222 HB3 PHE 30 HB1 PHE 30 -16.351 -8.046 -15.174 223 HD1 PHE 30 HD1 PHE 30 -15.907 -10.399 -14.490 224 HD2 PHE 30 HD2 PHE 30 -19.072 -8.106 -12.803 225 HE1 PHE 30 HE1 PHE 30 -16.977 -12.468 -13.697 226 HE2 PHE 30 HE2 PHE 30 -20.145 -10.172 -12.003 227 HZ PHE 30 HZ PHE 30 -19.098 -12.357 -12.449 228 H SER 31 HN SER 31 -16.134 -8.442 -11.069 229 HA SER 31 HA SER 31 -17.587 -6.248 -9.871 230 HB2 SER 31 HB2 SER 31 -16.761 -8.907 -8.681 231 HB3 SER 31 HB1 SER 31 -17.931 -7.777 -7.996 232 HG SER 31 HG SER 31 -18.733 -9.631 -9.334 233 H ALA 32 HN ALA 32 -14.858 -5.719 -10.525 234 HA ALA 32 HA ALA 32 -13.955 -4.660 -8.016 235 HB1 ALA 32 HB1 ALA 32 -11.774 -5.753 -8.005 236 HB2 ALA 32 HB2 ALA 32 -12.249 -6.723 -9.399 237 HB3 ALA 32 HB3 ALA 32 -13.078 -6.932 -7.858 238 H ILE 33 HN ILE 33 -13.394 -5.256 -11.433 239 HA ILE 33 HA ILE 33 -11.491 -3.239 -11.917 240 HB ILE 33 HB ILE 33 -13.620 -4.319 -13.780 241 HG12 ILE 33 HG12 ILE 33 -10.724 -5.130 -13.445 242 HG13 ILE 33 HG11 ILE 33 -12.110 -6.056 -12.879 243 HG21 ILE 33 HG21 ILE 33 -11.085 -2.808 -14.407 244 HG22 ILE 33 HG22 ILE 33 -12.732 -2.204 -14.591 245 HG23 ILE 33 HG23 ILE 33 -12.164 -3.538 -15.596 246 HD11 ILE 33 HD11 ILE 33 -11.486 -5.409 -15.752 247 HD12 ILE 33 HD12 ILE 33 -12.853 -6.363 -15.174 248 HD13 ILE 33 HD13 ILE 33 -11.207 -6.955 -14.950 249 H GLN 34 HN GLN 34 -11.682 -1.077 -12.383 250 HA GLN 34 HA GLN 34 -13.812 0.500 -11.594 251 HB2 GLN 34 HB2 GLN 34 -11.885 1.058 -13.860 252 HB3 GLN 34 HB1 GLN 34 -12.825 2.258 -12.987 253 HG2 GLN 34 HG2 GLN 34 -11.586 1.859 -10.981 254 HG3 GLN 34 HG1 GLN 34 -10.736 0.503 -11.719 255 HE21 GLN 34 HE21 GLN 34 -9.689 2.949 -10.529 256 HE22 GLN 34 HE22 GLN 34 -8.757 3.719 -11.763 257 H GLY 35 HN GLY 35 -15.867 0.401 -12.310 258 HA2 GLY 35 HA2 GLY 35 -16.327 -0.393 -15.104 259 HA3 GLY 35 HA1 GLY 35 -17.511 -0.476 -13.808 260 H ASP 36 HN ASP 36 -16.854 2.209 -12.846 261 HA ASP 36 HA ASP 36 -18.319 3.694 -14.915 262 HB2 ASP 36 HB2 ASP 36 -18.154 4.169 -11.932 263 HB3 ASP 36 HB1 ASP 36 -19.039 5.186 -13.065 264 H GLY 37 HN GLY 37 -17.172 5.078 -16.037 265 HA2 GLY 37 HA2 GLY 37 -15.784 7.102 -15.998 266 HA3 GLY 37 HA1 GLY 37 -14.806 6.307 -14.769 267 H PHE 38 HN PHE 38 -12.892 5.726 -15.578 268 HA PHE 38 HA PHE 38 -12.749 4.841 -18.372 269 HB2 PHE 38 HB2 PHE 38 -10.510 5.362 -16.397 270 HB3 PHE 38 HB1 PHE 38 -10.309 4.979 -18.103 271 HD1 PHE 38 HD1 PHE 38 -11.468 6.608 -19.774 272 HD2 PHE 38 HD2 PHE 38 -10.566 7.565 -15.725 273 HE1 PHE 38 HE1 PHE 38 -11.570 9.006 -20.320 274 HE2 PHE 38 HE2 PHE 38 -10.665 9.963 -16.266 275 HZ PHE 38 HZ PHE 38 -11.169 10.685 -18.565 276 H LYS 39 HN LYS 39 -13.543 2.795 -18.371 277 HA LYS 39 HA LYS 39 -13.044 0.979 -16.225 278 HB2 LYS 39 HB2 LYS 39 -14.498 -0.531 -17.306 279 HB3 LYS 39 HB1 LYS 39 -15.157 1.063 -17.624 280 HG2 LYS 39 HG2 LYS 39 -13.437 -0.438 -19.586 281 HG3 LYS 39 HG1 LYS 39 -15.196 -0.542 -19.550 282 HD2 LYS 39 HD2 LYS 39 -13.608 1.995 -19.946 283 HD3 LYS 39 HD1 LYS 39 -14.371 1.060 -21.232 284 HE2 LYS 39 HE2 LYS 39 -15.794 2.385 -18.926 285 HE3 LYS 39 HE1 LYS 39 -15.737 2.981 -20.585 286 HZ1 LYS 39 HZ1 LYS 39 -17.780 1.843 -20.290 287 HZ2 LYS 39 HZ2 LYS 39 -17.022 0.487 -19.615 288 HZ3 LYS 39 HZ3 LYS 39 -16.802 0.850 -21.258 289 H SER 40 HN SER 40 -11.559 1.576 -19.303 290 HA SER 40 HA SER 40 -10.490 -1.013 -19.711 291 HB2 SER 40 HB2 SER 40 -9.441 1.612 -20.786 292 HB3 SER 40 HB1 SER 40 -9.176 0.005 -21.467 293 HG SER 40 HG SER 40 -11.310 -0.105 -22.044 294 H LEU 41 HN LEU 41 -9.205 -1.900 -18.182 295 HA LEU 41 HA LEU 41 -7.055 -0.388 -16.976 296 HB2 LEU 41 HB2 LEU 41 -7.649 -3.353 -16.925 297 HB3 LEU 41 HB1 LEU 41 -6.386 -2.568 -15.999 298 HG LEU 41 HG LEU 41 -9.354 -2.120 -15.676 299 HD11 LEU 41 HD11 LEU 41 -7.348 -3.497 -13.897 300 HD12 LEU 41 HD12 LEU 41 -8.594 -4.293 -14.858 301 HD13 LEU 41 HD13 LEU 41 -9.051 -3.230 -13.527 302 HD21 LEU 41 HD21 LEU 41 -7.032 -0.986 -14.122 303 HD22 LEU 41 HD22 LEU 41 -8.738 -0.770 -13.737 304 HD23 LEU 41 HD23 LEU 41 -8.076 -0.089 -15.222 305 H ASP 42 HN ASP 42 -6.172 0.298 -19.001 306 HA ASP 42 HA ASP 42 -5.457 -1.329 -21.120 307 HB2 ASP 42 HB2 ASP 42 -5.599 1.095 -21.296 308 HB3 ASP 42 HB1 ASP 42 -4.214 1.274 -20.226 309 H GLU 43 HN GLU 43 -3.694 -2.429 -21.721 310 HA GLU 43 HA GLU 43 -2.004 -3.512 -19.745 311 HB2 GLU 43 HB2 GLU 43 -0.771 -4.464 -21.750 312 HB3 GLU 43 HB1 GLU 43 -2.476 -4.869 -21.627 313 HG2 GLU 43 HG2 GLU 43 -2.984 -3.079 -23.248 314 HG3 GLU 43 HG1 GLU 43 -1.254 -2.779 -23.415 315 H GLY 44 HN GLY 44 -0.078 -2.909 -19.001 316 HA2 GLY 44 HA2 GLY 44 2.048 -1.860 -19.122 317 HA3 GLY 44 HA1 GLY 44 1.460 -0.875 -20.454 318 H GLN 45 HN GLN 45 -1.033 -0.649 -18.527 319 HA GLN 45 HA GLN 45 -0.221 1.881 -17.403 320 HB2 GLN 45 HB2 GLN 45 -2.412 1.748 -18.379 321 HB3 GLN 45 HB1 GLN 45 -2.834 0.359 -17.391 322 HG2 GLN 45 HG2 GLN 45 -3.944 2.290 -16.537 323 HG3 GLN 45 HG1 GLN 45 -2.705 1.794 -15.388 324 HE21 GLN 45 HE21 GLN 45 -2.501 3.761 -14.439 325 HE22 GLN 45 HE22 GLN 45 -1.806 5.134 -15.226 326 H ALA 46 HN ALA 46 0.267 2.314 -15.332 327 HA ALA 46 HA ALA 46 0.466 0.113 -13.463 328 HB1 ALA 46 HB1 ALA 46 1.552 1.732 -11.993 329 HB2 ALA 46 HB2 ALA 46 1.181 3.022 -13.136 330 HB3 ALA 46 HB3 ALA 46 2.293 1.729 -13.595 331 H VAL 47 HN VAL 47 -0.750 -0.162 -11.641 332 HA VAL 47 HA VAL 47 -2.903 1.764 -11.136 333 HB VAL 47 HB VAL 47 -4.511 -0.139 -10.831 334 HG11 VAL 47 HG11 VAL 47 -4.608 1.253 -12.818 335 HG12 VAL 47 HG12 VAL 47 -4.977 -0.422 -13.226 336 HG13 VAL 47 HG13 VAL 47 -3.391 0.247 -13.605 337 HG21 VAL 47 HG21 VAL 47 -2.363 -1.698 -12.258 338 HG22 VAL 47 HG22 VAL 47 -4.005 -2.264 -11.950 339 HG23 VAL 47 HG23 VAL 47 -2.912 -1.949 -10.601 340 H THR 48 HN THR 48 -3.549 1.931 -9.042 341 HA THR 48 HA THR 48 -2.108 0.301 -7.070 342 HB THR 48 HB THR 48 -2.903 2.066 -5.434 343 HG1 THR 48 HG1 THR 48 -3.980 3.766 -6.146 344 HG21 THR 48 HG21 THR 48 -1.140 2.989 -7.706 345 HG22 THR 48 HG22 THR 48 -0.618 2.072 -6.292 346 HG23 THR 48 HG23 THR 48 -1.217 3.720 -6.103 347 H PHE 49 HN PHE 49 -3.197 -1.211 -5.979 348 HA PHE 49 HA PHE 49 -6.125 -1.075 -5.890 349 HB2 PHE 49 HB2 PHE 49 -6.223 -3.458 -6.683 350 HB3 PHE 49 HB1 PHE 49 -5.717 -2.305 -7.914 351 HD1 PHE 49 HD1 PHE 49 -4.636 -5.028 -5.722 352 HD2 PHE 49 HD2 PHE 49 -3.488 -2.336 -8.805 353 HE1 PHE 49 HE1 PHE 49 -2.604 -6.356 -6.116 354 HE2 PHE 49 HE2 PHE 49 -1.452 -3.654 -9.205 355 HZ PHE 49 HZ PHE 49 -1.006 -5.666 -7.858 356 H ASP 50 HN ASP 50 -7.093 -2.495 -4.333 357 HA ASP 50 HA ASP 50 -5.246 -3.314 -2.219 358 HB2 ASP 50 HB2 ASP 50 -8.247 -3.116 -2.352 359 HB3 ASP 50 HB1 ASP 50 -7.443 -3.984 -1.048 360 H VAL 51 HN VAL 51 -5.198 -5.468 -1.393 361 HA VAL 51 HA VAL 51 -5.788 -7.404 -3.523 362 HB VAL 51 HB VAL 51 -3.415 -7.178 -3.244 363 HG11 VAL 51 HG11 VAL 51 -3.846 -7.791 -0.326 364 HG12 VAL 51 HG12 VAL 51 -3.316 -6.253 -1.010 365 HG13 VAL 51 HG13 VAL 51 -2.277 -7.674 -1.123 366 HG21 VAL 51 HG21 VAL 51 -4.423 -9.732 -1.997 367 HG22 VAL 51 HG22 VAL 51 -2.793 -9.490 -2.625 368 HG23 VAL 51 HG23 VAL 51 -4.178 -9.415 -3.715 369 H GLU 52 HN GLU 52 -7.403 -8.684 -3.106 370 HA GLU 52 HA GLU 52 -8.057 -9.448 -0.361 371 HB2 GLU 52 HB2 GLU 52 -9.464 -9.880 -3.003 372 HB3 GLU 52 HB1 GLU 52 -10.034 -10.550 -1.481 373 HG2 GLU 52 HG2 GLU 52 -9.590 -7.613 -1.873 374 HG3 GLU 52 HG1 GLU 52 -11.114 -8.402 -2.277 375 H GLU 53 HN GLU 53 -7.670 -11.456 0.433 376 HA GLU 53 HA GLU 53 -5.994 -13.182 -1.165 377 HB2 GLU 53 HB2 GLU 53 -5.914 -14.568 0.947 378 HB3 GLU 53 HB1 GLU 53 -5.280 -12.933 1.074 379 HG2 GLU 53 HG2 GLU 53 -7.353 -12.204 2.126 380 HG3 GLU 53 HG1 GLU 53 -8.000 -13.838 1.988 381 H GLY 54 HN GLY 54 -7.143 -14.179 -2.717 382 HA2 GLY 54 HA2 GLY 54 -9.654 -15.498 -2.053 383 HA3 GLY 54 HA1 GLY 54 -8.944 -15.350 -3.654 384 H GLN 55 HN GLN 55 -10.031 -17.708 -2.376 385 HA GLN 55 HA GLN 55 -8.103 -19.390 -1.274 386 HB2 GLN 55 HB2 GLN 55 -10.555 -20.066 -2.897 387 HB3 GLN 55 HB1 GLN 55 -9.603 -21.250 -2.012 388 HG2 GLN 55 HG2 GLN 55 -10.097 -20.092 0.078 389 HG3 GLN 55 HG1 GLN 55 -11.051 -18.901 -0.806 390 HE21 GLN 55 HE21 GLN 55 -13.029 -19.505 -1.679 391 HE22 GLN 55 HE22 GLN 55 -13.862 -20.935 -1.162 392 H ARG 56 HN ARG 56 -8.558 -18.491 -4.598 393 HA ARG 56 HA ARG 56 -6.460 -20.408 -5.345 394 HB2 ARG 56 HB2 ARG 56 -9.023 -19.840 -6.822 395 HB3 ARG 56 HB1 ARG 56 -7.637 -20.604 -7.589 396 HG2 ARG 56 HG2 ARG 56 -7.749 -22.395 -5.873 397 HG3 ARG 56 HG1 ARG 56 -9.224 -21.649 -5.257 398 HD2 ARG 56 HD2 ARG 56 -10.333 -21.998 -7.373 399 HD3 ARG 56 HD1 ARG 56 -8.848 -22.630 -8.084 400 HE ARG 56 HE ARG 56 -9.839 -24.043 -5.747 401 HH11 ARG 56 HH11 ARG 56 -9.765 -23.857 -9.248 402 HH12 ARG 56 HH12 ARG 56 -10.175 -25.532 -9.464 403 HH21 ARG 56 HH21 ARG 56 -10.354 -26.244 -6.048 404 HH22 ARG 56 HH22 ARG 56 -10.499 -26.890 -7.654 405 H GLY 57 HN GLY 57 -6.440 -17.488 -4.720 406 HA2 GLY 57 HA2 GLY 57 -4.431 -16.580 -6.187 407 HA3 GLY 57 HA1 GLY 57 -5.753 -16.340 -7.316 408 HA PRO 58 HA PRO 58 -5.448 -12.809 -4.111 409 HB2 PRO 58 HB2 PRO 58 -3.672 -11.338 -5.890 410 HB3 PRO 58 HB1 PRO 58 -3.456 -11.726 -4.183 411 HG2 PRO 58 HG2 PRO 58 -1.956 -12.833 -6.155 412 HG3 PRO 58 HG1 PRO 58 -2.322 -13.665 -4.633 413 HD2 PRO 58 HD2 PRO 58 -3.575 -14.002 -7.331 414 HD3 PRO 58 HD1 PRO 58 -3.150 -15.235 -6.123 415 H GLN 59 HN GLN 59 -7.205 -11.616 -4.398 416 HA GLN 59 HA GLN 59 -8.084 -10.983 -7.112 417 HB2 GLN 59 HB2 GLN 59 -9.508 -10.746 -4.454 418 HB3 GLN 59 HB1 GLN 59 -10.220 -10.357 -6.012 419 HG2 GLN 59 HG2 GLN 59 -9.930 -12.687 -6.713 420 HG3 GLN 59 HG1 GLN 59 -9.256 -13.066 -5.128 421 HE21 GLN 59 HE21 GLN 59 -11.093 -11.240 -3.764 422 HE22 GLN 59 HE22 GLN 59 -12.629 -12.033 -3.744 423 H ALA 60 HN ALA 60 -7.742 -9.046 -7.953 424 HA ALA 60 HA ALA 60 -6.816 -6.847 -6.334 425 HB1 ALA 60 HB1 ALA 60 -5.932 -7.190 -8.588 426 HB2 ALA 60 HB2 ALA 60 -6.700 -5.610 -8.437 427 HB3 ALA 60 HB3 ALA 60 -7.538 -6.924 -9.264 428 H ALA 61 HN ALA 61 -8.261 -5.867 -5.072 429 HA ALA 61 HA ALA 61 -10.890 -5.196 -6.232 430 HB1 ALA 61 HB1 ALA 61 -11.069 -6.786 -4.373 431 HB2 ALA 61 HB2 ALA 61 -11.802 -5.233 -3.972 432 HB3 ALA 61 HB3 ALA 61 -10.217 -5.651 -3.325 433 H ASN 62 HN ASN 62 -11.593 -3.109 -6.059 434 HA ASN 62 HA ASN 62 -11.415 -0.852 -6.019 435 HB2 ASN 62 HB2 ASN 62 -9.712 -1.339 -3.563 436 HB3 ASN 62 HB1 ASN 62 -10.374 0.217 -4.053 437 HD21 ASN 62 HD21 ASN 62 -10.801 -1.217 -1.598 438 HD22 ASN 62 HD22 ASN 62 -12.506 -1.500 -1.477 439 H VAL 63 HN VAL 63 -10.364 -0.525 -7.891 440 HA VAL 63 HA VAL 63 -7.412 -0.486 -7.817 441 HB VAL 63 HB VAL 63 -9.193 -0.894 -10.232 442 HG11 VAL 63 HG11 VAL 63 -7.041 0.098 -10.785 443 HG12 VAL 63 HG12 VAL 63 -7.130 -1.565 -11.362 444 HG13 VAL 63 HG13 VAL 63 -6.207 -1.186 -9.909 445 HG21 VAL 63 HG21 VAL 63 -8.494 -3.230 -10.176 446 HG22 VAL 63 HG22 VAL 63 -9.369 -2.789 -8.709 447 HG23 VAL 63 HG23 VAL 63 -7.612 -2.935 -8.676 448 H GLN 64 HN GLN 64 -6.392 1.339 -8.387 449 HA GLN 64 HA GLN 64 -7.985 3.531 -9.550 450 HB2 GLN 64 HB2 GLN 64 -7.310 3.941 -7.191 451 HB3 GLN 64 HB1 GLN 64 -5.628 3.741 -7.656 452 HG2 GLN 64 HG2 GLN 64 -5.979 5.674 -9.248 453 HG3 GLN 64 HG1 GLN 64 -7.517 5.939 -8.428 454 HE21 GLN 64 HE21 GLN 64 -7.517 6.633 -6.282 455 HE22 GLN 64 HE22 GLN 64 -6.110 7.318 -5.539 456 H LYS 65 HN LYS 65 -6.920 4.826 -11.117 457 HA LYS 65 HA LYS 65 -4.746 3.441 -12.486 458 HB2 LYS 65 HB2 LYS 65 -6.625 5.658 -13.271 459 HB3 LYS 65 HB1 LYS 65 -5.192 5.301 -14.222 460 HG2 LYS 65 HG2 LYS 65 -5.997 3.038 -14.614 461 HG3 LYS 65 HG1 LYS 65 -7.420 3.365 -13.620 462 HD2 LYS 65 HD2 LYS 65 -8.326 4.835 -15.175 463 HD3 LYS 65 HD1 LYS 65 -6.775 5.109 -15.963 464 HE2 LYS 65 HE2 LYS 65 -8.145 3.772 -17.408 465 HE3 LYS 65 HE1 LYS 65 -6.835 2.772 -16.788 466 HZ1 LYS 65 HZ1 LYS 65 -9.663 2.770 -15.870 467 HZ2 LYS 65 HZ2 LYS 65 -8.422 1.898 -15.126 468 HZ3 LYS 65 HZ3 LYS 65 -8.864 1.542 -16.720 469 H ALA 66 HN ALA 66 -2.694 4.061 -12.265 470 HA ALA 66 HA ALA 66 -2.098 6.863 -11.691 471 HB1 ALA 66 HB1 ALA 66 -1.034 4.571 -10.041 472 HB2 ALA 66 HB2 ALA 66 -2.230 5.754 -9.510 473 HB3 ALA 66 HB3 ALA 66 -0.582 6.269 -9.873 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 3.581 0.447 -0.638 2 H2 MET 1 HT2 MET 1 2.353 -0.716 -0.519 3 H3 MET 1 HT3 MET 1 2.333 0.410 -1.782 4 HA MET 1 HA MET 1 4.463 -0.517 -2.583 5 HB2 MET 1 HB2 MET 1 5.103 -1.540 -0.418 6 HB3 MET 1 HB1 MET 1 3.793 -2.697 -0.593 7 HG2 MET 1 HG2 MET 1 4.848 -3.577 -2.617 8 HG3 MET 1 HG1 MET 1 6.175 -2.437 -2.416 9 HE1 MET 1 HE1 MET 1 7.756 -5.932 -1.558 10 HE2 MET 1 HE2 MET 1 7.832 -4.521 -2.615 11 HE3 MET 1 HE3 MET 1 6.470 -5.635 -2.730 12 H GLU 2 HN GLU 2 1.201 -1.084 -2.185 13 HA GLU 2 HA GLU 2 1.008 -3.369 -3.926 14 HB2 GLU 2 HB2 GLU 2 -1.100 -1.551 -2.766 15 HB3 GLU 2 HB1 GLU 2 -1.451 -2.951 -3.773 16 HG2 GLU 2 HG2 GLU 2 -0.193 -2.902 -1.050 17 HG3 GLU 2 HG1 GLU 2 -1.729 -3.624 -1.531 18 H GLN 3 HN GLN 3 2.333 -2.163 -5.547 19 HA GLN 3 HA GLN 3 0.508 -0.854 -7.452 20 HB2 GLN 3 HB2 GLN 3 2.287 0.685 -6.691 21 HB3 GLN 3 HB1 GLN 3 3.505 -0.480 -7.194 22 HG2 GLN 3 HG2 GLN 3 2.717 -0.257 -9.519 23 HG3 GLN 3 HG1 GLN 3 1.569 0.970 -8.990 24 HE21 GLN 3 HE21 GLN 3 2.327 2.995 -8.374 25 HE22 GLN 3 HE22 GLN 3 3.922 3.537 -8.767 26 H GLY 4 HN GLY 4 0.356 -1.757 -9.440 27 HA2 GLY 4 HA2 GLY 4 2.354 -3.680 -10.325 28 HA3 GLY 4 HA1 GLY 4 0.736 -4.319 -10.050 29 H THR 5 HN THR 5 1.878 -4.452 -12.554 30 HA THR 5 HA THR 5 0.631 -2.247 -14.040 31 HB THR 5 HB THR 5 2.434 -4.355 -15.212 32 HG1 THR 5 HG1 THR 5 4.044 -3.443 -14.203 33 HG21 THR 5 HG21 THR 5 1.128 -3.000 -16.778 34 HG22 THR 5 HG22 THR 5 2.852 -2.642 -16.904 35 HG23 THR 5 HG23 THR 5 1.779 -1.531 -16.049 36 H VAL 6 HN VAL 6 -1.262 -2.580 -15.021 37 HA VAL 6 HA VAL 6 -2.337 -5.258 -15.264 38 HB VAL 6 HB VAL 6 -3.504 -2.667 -16.305 39 HG11 VAL 6 HG11 VAL 6 -4.471 -4.597 -17.392 40 HG12 VAL 6 HG12 VAL 6 -5.640 -3.914 -16.262 41 HG13 VAL 6 HG13 VAL 6 -4.749 -5.375 -15.833 42 HG21 VAL 6 HG21 VAL 6 -3.167 -2.592 -13.875 43 HG22 VAL 6 HG22 VAL 6 -4.077 -4.095 -13.710 44 HG23 VAL 6 HG23 VAL 6 -4.880 -2.637 -14.299 45 H LYS 7 HN LYS 7 -1.019 -6.298 -16.700 46 HA LYS 7 HA LYS 7 -0.256 -5.103 -19.189 47 HB2 LYS 7 HB2 LYS 7 0.190 -7.776 -17.908 48 HB3 LYS 7 HB1 LYS 7 0.618 -7.508 -19.598 49 HG2 LYS 7 HG2 LYS 7 1.645 -5.901 -17.265 50 HG3 LYS 7 HG1 LYS 7 2.523 -7.190 -18.092 51 HD2 LYS 7 HD2 LYS 7 2.556 -5.936 -20.140 52 HD3 LYS 7 HD1 LYS 7 1.498 -4.703 -19.455 53 HE2 LYS 7 HE2 LYS 7 3.806 -3.939 -19.515 54 HE3 LYS 7 HE1 LYS 7 3.233 -4.089 -17.856 55 HZ1 LYS 7 HZ1 LYS 7 5.487 -4.946 -18.160 56 HZ2 LYS 7 HZ2 LYS 7 4.913 -6.092 -19.264 57 HZ3 LYS 7 HZ3 LYS 7 4.423 -6.163 -17.640 58 H TRP 8 HN TRP 8 -2.301 -7.895 -18.319 59 HA TRP 8 HA TRP 8 -3.802 -7.349 -20.768 60 HB2 TRP 8 HB2 TRP 8 -4.108 -9.919 -20.922 61 HB3 TRP 8 HB1 TRP 8 -2.628 -9.195 -21.532 62 HD1 TRP 8 HD1 TRP 8 -3.916 -11.310 -18.581 63 HE1 TRP 8 HE1 TRP 8 -1.910 -12.557 -17.543 64 HE3 TRP 8 HE3 TRP 8 -0.145 -9.148 -21.268 65 HZ2 TRP 8 HZ2 TRP 8 0.893 -12.605 -17.830 66 HZ3 TRP 8 HZ3 TRP 8 2.173 -9.854 -20.829 67 HH2 TRP 8 HH2 TRP 8 2.679 -11.548 -19.144 68 H PHE 9 HN PHE 9 -5.832 -7.025 -20.393 69 HA PHE 9 HA PHE 9 -7.024 -8.186 -17.970 70 HB2 PHE 9 HB2 PHE 9 -8.624 -6.317 -18.004 71 HB3 PHE 9 HB1 PHE 9 -6.967 -5.736 -17.906 72 HD1 PHE 9 HD1 PHE 9 -5.869 -4.946 -20.090 73 HD2 PHE 9 HD2 PHE 9 -10.065 -5.513 -19.641 74 HE1 PHE 9 HE1 PHE 9 -6.273 -3.489 -22.029 75 HE2 PHE 9 HE2 PHE 9 -10.470 -4.058 -21.583 76 HZ PHE 9 HZ PHE 9 -8.574 -3.047 -22.779 77 H ASN 10 HN ASN 10 -8.563 -9.657 -18.254 78 HA ASN 10 HA ASN 10 -9.359 -10.242 -20.984 79 HB2 ASN 10 HB2 ASN 10 -8.539 -12.033 -19.395 80 HB3 ASN 10 HB1 ASN 10 -10.035 -11.811 -18.493 81 HD21 ASN 10 HD21 ASN 10 -8.573 -13.053 -21.358 82 HD22 ASN 10 HD22 ASN 10 -9.971 -13.877 -21.962 83 H ALA 11 HN ALA 11 -10.618 -8.275 -21.083 84 HA ALA 11 HA ALA 11 -12.962 -7.883 -19.534 85 HB1 ALA 11 HB1 ALA 11 -13.595 -6.269 -21.286 86 HB2 ALA 11 HB2 ALA 11 -12.260 -6.849 -22.284 87 HB3 ALA 11 HB3 ALA 11 -11.931 -6.050 -20.747 88 H GLU 12 HN GLU 12 -12.187 -10.179 -21.786 89 HA GLU 12 HA GLU 12 -14.648 -10.530 -23.152 90 HB2 GLU 12 HB2 GLU 12 -12.527 -12.612 -22.606 91 HB3 GLU 12 HB1 GLU 12 -13.693 -12.596 -23.924 92 HG2 GLU 12 HG2 GLU 12 -12.623 -10.613 -24.852 93 HG3 GLU 12 HG1 GLU 12 -11.458 -10.620 -23.530 94 H LYS 13 HN LYS 13 -13.330 -11.677 -20.108 95 HA LYS 13 HA LYS 13 -15.828 -13.173 -19.646 96 HB2 LYS 13 HB2 LYS 13 -13.105 -13.682 -18.436 97 HB3 LYS 13 HB1 LYS 13 -14.570 -14.591 -18.082 98 HG2 LYS 13 HG2 LYS 13 -13.165 -14.444 -20.742 99 HG3 LYS 13 HG1 LYS 13 -13.171 -15.815 -19.632 100 HD2 LYS 13 HD2 LYS 13 -15.549 -16.108 -19.948 101 HD3 LYS 13 HD1 LYS 13 -15.627 -14.656 -20.950 102 HE2 LYS 13 HE2 LYS 13 -14.143 -15.719 -22.587 103 HE3 LYS 13 HE1 LYS 13 -14.088 -17.169 -21.585 104 HZ1 LYS 13 HZ1 LYS 13 -15.682 -17.359 -23.412 105 HZ2 LYS 13 HZ2 LYS 13 -16.542 -16.031 -22.807 106 HZ3 LYS 13 HZ3 LYS 13 -16.446 -17.459 -21.900 107 H GLY 14 HN GLY 14 -13.564 -10.835 -18.338 108 HA2 GLY 14 HA2 GLY 14 -14.695 -9.039 -17.081 109 HA3 GLY 14 HA1 GLY 14 -15.566 -10.301 -16.229 110 H PHE 15 HN PHE 15 -12.169 -10.688 -16.900 111 HA PHE 15 HA PHE 15 -11.468 -9.762 -14.223 112 HB2 PHE 15 HB2 PHE 15 -10.294 -11.828 -13.655 113 HB3 PHE 15 HB1 PHE 15 -12.002 -12.139 -13.920 114 HD1 PHE 15 HD1 PHE 15 -12.744 -13.448 -15.820 115 HD2 PHE 15 HD2 PHE 15 -8.609 -12.695 -15.158 116 HE1 PHE 15 HE1 PHE 15 -12.165 -15.243 -17.401 117 HE2 PHE 15 HE2 PHE 15 -8.024 -14.486 -16.740 118 HZ PHE 15 HZ PHE 15 -9.803 -15.762 -17.864 119 H GLY 16 HN GLY 16 -8.866 -10.406 -14.047 120 HA2 GLY 16 HA2 GLY 16 -7.467 -10.240 -16.536 121 HA3 GLY 16 HA1 GLY 16 -7.529 -8.679 -15.728 122 H PHE 17 HN PHE 17 -5.091 -9.708 -16.170 123 HA PHE 17 HA PHE 17 -4.285 -10.717 -13.520 124 HB2 PHE 17 HB2 PHE 17 -3.010 -11.285 -16.202 125 HB3 PHE 17 HB1 PHE 17 -2.343 -11.780 -14.649 126 HD1 PHE 17 HD1 PHE 17 -3.640 -13.394 -13.231 127 HD2 PHE 17 HD2 PHE 17 -4.674 -12.552 -17.273 128 HE1 PHE 17 HE1 PHE 17 -4.963 -15.466 -13.321 129 HE2 PHE 17 HE2 PHE 17 -5.995 -14.623 -17.368 130 HZ PHE 17 HZ PHE 17 -6.141 -16.083 -15.393 131 H ILE 18 HN ILE 18 -2.983 -9.457 -12.404 132 HA ILE 18 HA ILE 18 -1.629 -7.232 -13.774 133 HB ILE 18 HB ILE 18 -2.450 -7.455 -10.871 134 HG12 ILE 18 HG12 ILE 18 -3.617 -5.767 -13.104 135 HG13 ILE 18 HG11 ILE 18 -4.380 -7.178 -12.375 136 HG21 ILE 18 HG21 ILE 18 -1.831 -5.073 -10.740 137 HG22 ILE 18 HG22 ILE 18 -1.209 -5.165 -12.388 138 HG23 ILE 18 HG23 ILE 18 -0.459 -6.115 -11.107 139 HD11 ILE 18 HD11 ILE 18 -4.521 -6.017 -10.245 140 HD12 ILE 18 HD12 ILE 18 -5.314 -5.097 -11.523 141 HD13 ILE 18 HD13 ILE 18 -3.720 -4.611 -10.948 142 H GLU 19 HN GLU 19 0.552 -7.223 -13.771 143 HA GLU 19 HA GLU 19 1.995 -9.249 -12.310 144 HB2 GLU 19 HB2 GLU 19 4.018 -8.078 -13.331 145 HB3 GLU 19 HB1 GLU 19 2.879 -8.800 -14.457 146 HG2 GLU 19 HG2 GLU 19 1.923 -6.649 -14.946 147 HG3 GLU 19 HG1 GLU 19 2.928 -5.887 -13.716 148 H ARG 20 HN ARG 20 2.467 -9.022 -10.246 149 HA ARG 20 HA ARG 20 2.762 -6.302 -9.165 150 HB2 ARG 20 HB2 ARG 20 0.808 -7.490 -8.309 151 HB3 ARG 20 HB1 ARG 20 1.821 -8.836 -7.816 152 HG2 ARG 20 HG2 ARG 20 2.988 -7.317 -6.241 153 HG3 ARG 20 HG1 ARG 20 1.835 -6.051 -6.673 154 HD2 ARG 20 HD2 ARG 20 -0.002 -7.394 -5.861 155 HD3 ARG 20 HD1 ARG 20 1.083 -8.748 -5.552 156 HE ARG 20 HE ARG 20 0.675 -6.416 -3.894 157 HH11 ARG 20 HH11 ARG 20 2.796 -9.091 -4.695 158 HH12 ARG 20 HH12 ARG 20 3.654 -9.025 -3.185 159 HH21 ARG 20 HH21 ARG 20 1.759 -6.363 -1.887 160 HH22 ARG 20 HH22 ARG 20 3.034 -7.511 -1.574 161 H GLU 21 HN GLU 21 4.848 -5.868 -8.986 162 HA GLU 21 HA GLU 21 6.987 -5.890 -8.257 163 HB2 GLU 21 HB2 GLU 21 5.543 -7.221 -5.979 164 HB3 GLU 21 HB1 GLU 21 7.227 -6.718 -5.886 165 HG2 GLU 21 HG2 GLU 21 4.911 -4.892 -6.493 166 HG3 GLU 21 HG1 GLU 21 5.666 -5.082 -4.910 167 H ASN 22 HN ASN 22 6.345 -8.931 -6.618 168 HA ASN 22 HA ASN 22 8.869 -9.971 -7.444 169 HB2 ASN 22 HB2 ASN 22 7.787 -10.444 -5.246 170 HB3 ASN 22 HB1 ASN 22 6.571 -11.399 -6.085 171 HD21 ASN 22 HD21 ASN 22 9.839 -11.233 -5.002 172 HD22 ASN 22 HD22 ASN 22 10.252 -12.891 -5.292 173 H GLY 23 HN GLY 23 5.587 -10.346 -8.550 174 HA2 GLY 23 HA2 GLY 23 5.543 -11.126 -10.972 175 HA3 GLY 23 HA1 GLY 23 6.457 -12.508 -10.378 176 H ASP 24 HN ASP 24 4.533 -11.745 -7.908 177 HA ASP 24 HA ASP 24 2.701 -13.859 -8.333 178 HB2 ASP 24 HB2 ASP 24 1.578 -12.833 -6.254 179 HB3 ASP 24 HB1 ASP 24 3.218 -13.445 -6.080 180 H ASP 25 HN ASP 25 1.583 -13.550 -10.168 181 HA ASP 25 HA ASP 25 0.227 -11.269 -10.988 182 HB2 ASP 25 HB2 ASP 25 -1.221 -12.805 -12.325 183 HB3 ASP 25 HB1 ASP 25 0.499 -13.110 -12.524 184 H VAL 26 HN VAL 26 -1.418 -10.204 -10.227 185 HA VAL 26 HA VAL 26 -3.035 -11.410 -8.105 186 HB VAL 26 HB VAL 26 -2.923 -8.523 -9.001 187 HG11 VAL 26 HG11 VAL 26 -4.104 -9.770 -6.523 188 HG12 VAL 26 HG12 VAL 26 -5.007 -9.102 -7.880 189 HG13 VAL 26 HG13 VAL 26 -4.022 -8.045 -6.873 190 HG21 VAL 26 HG21 VAL 26 -1.570 -9.846 -6.654 191 HG22 VAL 26 HG22 VAL 26 -1.548 -8.121 -7.033 192 HG23 VAL 26 HG23 VAL 26 -0.770 -9.275 -8.119 193 H PHE 27 HN PHE 27 -5.166 -11.801 -8.309 194 HA PHE 27 HA PHE 27 -6.295 -11.743 -10.961 195 HB2 PHE 27 HB2 PHE 27 -6.549 -13.620 -9.249 196 HB3 PHE 27 HB1 PHE 27 -7.680 -12.569 -8.408 197 HD1 PHE 27 HD2 PHE 27 -7.092 -14.573 -11.411 198 HD2 PHE 27 HD1 PHE 27 -9.885 -12.150 -9.300 199 HE1 PHE 27 HE2 PHE 27 -8.901 -15.402 -12.858 200 HE2 PHE 27 HE1 PHE 27 -11.697 -12.977 -10.743 201 HZ PHE 27 HZ PHE 27 -11.207 -14.605 -12.523 202 H VAL 28 HN VAL 28 -6.985 -9.796 -11.663 203 HA VAL 28 HA VAL 28 -8.439 -8.076 -9.782 204 HB VAL 28 HB VAL 28 -6.520 -7.130 -11.127 205 HG11 VAL 28 HG11 VAL 28 -6.939 -8.234 -13.239 206 HG12 VAL 28 HG12 VAL 28 -6.956 -6.483 -13.444 207 HG13 VAL 28 HG13 VAL 28 -8.475 -7.380 -13.404 208 HG21 VAL 28 HG21 VAL 28 -8.158 -5.689 -10.066 209 HG22 VAL 28 HG22 VAL 28 -9.212 -5.822 -11.474 210 HG23 VAL 28 HG23 VAL 28 -7.648 -5.018 -11.616 211 H HIS 29 HN HIS 29 -10.413 -6.999 -10.574 212 HA HIS 29 HA HIS 29 -11.844 -8.353 -12.696 213 HB2 HIS 29 HB2 HIS 29 -13.805 -8.844 -11.208 214 HB3 HIS 29 HB1 HIS 29 -12.387 -9.836 -10.896 215 HD1 HIS 29 HD1 HIS 29 -14.928 -8.700 -9.006 216 HD2 HIS 29 HD2 HIS 29 -10.831 -8.058 -8.690 217 HE1 HIS 29 HE1 HIS 29 -14.524 -8.036 -6.614 218 HE2 HIS 29 HE2 HIS 29 -12.024 -7.825 -6.405 219 H PHE 30 HN PHE 30 -13.964 -7.302 -13.139 220 HA PHE 30 HA PHE 30 -13.516 -4.591 -13.579 221 HB2 PHE 30 HB2 PHE 30 -15.915 -6.346 -13.836 222 HB3 PHE 30 HB1 PHE 30 -16.108 -4.607 -14.012 223 HD1 PHE 30 HD2 PHE 30 -14.257 -3.512 -15.599 224 HD2 PHE 30 HD1 PHE 30 -15.577 -7.554 -15.759 225 HE1 PHE 30 HE2 PHE 30 -13.529 -3.653 -17.943 226 HE2 PHE 30 HE1 PHE 30 -14.851 -7.698 -18.106 227 HZ PHE 30 HZ PHE 30 -13.826 -5.748 -19.199 228 H SER 31 HN SER 31 -15.341 -6.142 -10.986 229 HA SER 31 HA SER 31 -16.536 -3.738 -10.043 230 HB2 SER 31 HB2 SER 31 -17.383 -6.064 -9.601 231 HB3 SER 31 HB1 SER 31 -16.046 -6.276 -8.472 232 HG SER 31 HG SER 31 -16.997 -4.999 -7.060 233 H ALA 32 HN ALA 32 -13.353 -4.653 -10.019 234 HA ALA 32 HA ALA 32 -12.791 -3.165 -7.543 235 HB1 ALA 32 HB1 ALA 32 -10.990 -4.981 -9.136 236 HB2 ALA 32 HB2 ALA 32 -11.800 -5.389 -7.622 237 HB3 ALA 32 HB3 ALA 32 -10.550 -4.142 -7.648 238 H ILE 33 HN ILE 33 -12.187 -3.309 -10.995 239 HA ILE 33 HA ILE 33 -10.279 -1.231 -11.144 240 HB ILE 33 HB ILE 33 -12.266 -2.076 -13.264 241 HG12 ILE 33 HG12 ILE 33 -9.436 -3.039 -12.781 242 HG13 ILE 33 HG11 ILE 33 -10.892 -3.953 -12.404 243 HG21 ILE 33 HG21 ILE 33 -11.230 0.065 -13.768 244 HG22 ILE 33 HG22 ILE 33 -10.616 -1.185 -14.850 245 HG23 ILE 33 HG23 ILE 33 -9.630 -0.627 -13.498 246 HD11 ILE 33 HD11 ILE 33 -11.476 -3.972 -14.779 247 HD12 ILE 33 HD12 ILE 33 -9.906 -4.715 -14.474 248 HD13 ILE 33 HD13 ILE 33 -9.997 -3.084 -15.141 249 H GLN 34 HN GLN 34 -10.475 0.955 -11.435 250 HA GLN 34 HA GLN 34 -12.809 2.202 -10.370 251 HB2 GLN 34 HB2 GLN 34 -11.561 4.288 -10.652 252 HB3 GLN 34 HB1 GLN 34 -10.555 3.049 -9.914 253 HG2 GLN 34 HG2 GLN 34 -9.410 2.659 -11.985 254 HG3 GLN 34 HG1 GLN 34 -10.511 3.732 -12.846 255 HE21 GLN 34 HE21 GLN 34 -8.891 5.068 -13.566 256 HE22 GLN 34 HE22 GLN 34 -8.038 6.153 -12.523 257 H GLY 35 HN GLY 35 -13.044 0.829 -13.054 258 HA2 GLY 35 HA2 GLY 35 -13.538 3.002 -14.911 259 HA3 GLY 35 HA1 GLY 35 -13.787 1.289 -15.218 260 H ASP 36 HN ASP 36 -15.324 4.184 -14.805 261 HA ASP 36 HA ASP 36 -17.702 3.208 -13.489 262 HB2 ASP 36 HB2 ASP 36 -17.023 5.558 -13.228 263 HB3 ASP 36 HB1 ASP 36 -17.208 5.811 -14.961 264 H GLY 37 HN GLY 37 -18.998 1.861 -14.518 265 HA2 GLY 37 HA2 GLY 37 -20.519 1.146 -16.097 266 HA3 GLY 37 HA1 GLY 37 -20.186 2.605 -17.022 267 H PHE 38 HN PHE 38 -19.327 2.256 -18.939 268 HA PHE 38 HA PHE 38 -17.850 -0.250 -19.367 269 HB2 PHE 38 HB2 PHE 38 -19.298 1.524 -21.344 270 HB3 PHE 38 HB1 PHE 38 -18.365 0.096 -21.781 271 HD1 PHE 38 HD1 PHE 38 -19.109 -2.143 -20.941 272 HD2 PHE 38 HD2 PHE 38 -21.516 1.349 -20.594 273 HE1 PHE 38 HE1 PHE 38 -21.095 -3.552 -20.595 274 HE2 PHE 38 HE2 PHE 38 -23.506 -0.054 -20.244 275 HZ PHE 38 HZ PHE 38 -23.296 -2.507 -20.243 276 H LYS 39 HN LYS 39 -15.858 0.462 -18.666 277 HA LYS 39 HA LYS 39 -14.500 2.274 -20.540 278 HB2 LYS 39 HB2 LYS 39 -14.150 2.174 -17.535 279 HB3 LYS 39 HB1 LYS 39 -13.052 3.014 -18.620 280 HG2 LYS 39 HG2 LYS 39 -15.982 3.638 -18.292 281 HG3 LYS 39 HG1 LYS 39 -14.655 4.521 -17.536 282 HD2 LYS 39 HD2 LYS 39 -15.054 4.207 -20.509 283 HD3 LYS 39 HD1 LYS 39 -15.509 5.631 -19.575 284 HE2 LYS 39 HE2 LYS 39 -13.173 5.976 -18.950 285 HE3 LYS 39 HE1 LYS 39 -12.712 4.529 -19.846 286 HZ1 LYS 39 HZ1 LYS 39 -13.592 5.624 -21.866 287 HZ2 LYS 39 HZ2 LYS 39 -12.266 6.433 -21.189 288 HZ3 LYS 39 HZ3 LYS 39 -13.831 7.044 -20.968 289 H SER 40 HN SER 40 -12.358 1.704 -21.048 290 HA SER 40 HA SER 40 -11.666 -1.047 -20.260 291 HB2 SER 40 HB2 SER 40 -10.765 0.469 -22.720 292 HB3 SER 40 HB1 SER 40 -10.465 -1.234 -22.362 293 HG SER 40 HG SER 40 -13.113 -0.332 -22.390 294 H LEU 41 HN LEU 41 -10.141 -1.114 -18.761 295 HA LEU 41 HA LEU 41 -8.412 1.005 -18.093 296 HB2 LEU 41 HB2 LEU 41 -9.171 -1.055 -16.720 297 HB3 LEU 41 HB1 LEU 41 -7.865 -1.902 -17.520 298 HG LEU 41 HG LEU 41 -7.362 -1.053 -15.207 299 HD11 LEU 41 HD11 LEU 41 -5.122 -0.298 -15.730 300 HD12 LEU 41 HD12 LEU 41 -5.599 0.025 -17.397 301 HD13 LEU 41 HD13 LEU 41 -5.586 -1.630 -16.787 302 HD21 LEU 41 HD21 LEU 41 -7.425 1.624 -16.592 303 HD22 LEU 41 HD22 LEU 41 -6.823 1.325 -14.960 304 HD23 LEU 41 HD23 LEU 41 -8.528 1.071 -15.333 305 H ASP 42 HN ASP 42 -6.559 1.641 -18.997 306 HA ASP 42 HA ASP 42 -5.722 0.665 -21.486 307 HB2 ASP 42 HB2 ASP 42 -4.146 2.349 -19.525 308 HB3 ASP 42 HB1 ASP 42 -3.795 2.168 -21.240 309 H GLU 43 HN GLU 43 -4.642 -1.146 -21.956 310 HA GLU 43 HA GLU 43 -3.359 -2.710 -19.978 311 HB2 GLU 43 HB2 GLU 43 -2.516 -4.061 -21.898 312 HB3 GLU 43 HB1 GLU 43 -4.257 -3.828 -21.891 313 HG2 GLU 43 HG2 GLU 43 -4.130 -2.227 -23.645 314 HG3 GLU 43 HG1 GLU 43 -2.370 -2.174 -23.544 315 H GLY 44 HN GLY 44 -1.455 -2.460 -19.101 316 HA2 GLY 44 HA2 GLY 44 0.945 -2.094 -19.343 317 HA3 GLY 44 HA1 GLY 44 0.567 -0.848 -20.531 318 H GLN 45 HN GLN 45 -1.764 -0.472 -18.347 319 HA GLN 45 HA GLN 45 -0.599 1.864 -17.203 320 HB2 GLN 45 HB2 GLN 45 -2.968 1.809 -17.706 321 HB3 GLN 45 HB1 GLN 45 -3.201 0.426 -16.648 322 HG2 GLN 45 HG2 GLN 45 -4.011 2.412 -15.577 323 HG3 GLN 45 HG1 GLN 45 -2.585 1.822 -14.724 324 HE21 GLN 45 HE21 GLN 45 -3.910 4.339 -16.703 325 HE22 GLN 45 HE22 GLN 45 -2.602 5.466 -16.492 326 H ALA 46 HN ALA 46 0.409 2.127 -15.320 327 HA ALA 46 HA ALA 46 0.740 -0.116 -13.505 328 HB1 ALA 46 HB1 ALA 46 2.702 1.235 -13.944 329 HB2 ALA 46 HB2 ALA 46 2.221 1.453 -12.259 330 HB3 ALA 46 HB3 ALA 46 1.846 2.698 -13.453 331 H VAL 47 HN VAL 47 -0.722 -0.480 -11.975 332 HA VAL 47 HA VAL 47 -2.432 1.762 -11.140 333 HB VAL 47 HB VAL 47 -4.144 0.084 -10.572 334 HG11 VAL 47 HG11 VAL 47 -3.141 -0.080 -13.414 335 HG12 VAL 47 HG12 VAL 47 -4.197 1.166 -12.750 336 HG13 VAL 47 HG13 VAL 47 -4.767 -0.498 -12.871 337 HG21 VAL 47 HG21 VAL 47 -2.689 -1.814 -10.116 338 HG22 VAL 47 HG22 VAL 47 -2.229 -1.888 -11.818 339 HG23 VAL 47 HG23 VAL 47 -3.891 -2.233 -11.337 340 H THR 48 HN THR 48 -3.143 1.851 -8.991 341 HA THR 48 HA THR 48 -1.503 0.358 -7.063 342 HB THR 48 HB THR 48 -1.706 2.330 -5.538 343 HG1 THR 48 HG1 THR 48 -2.656 3.657 -7.890 344 HG21 THR 48 HG21 THR 48 0.293 1.949 -7.002 345 HG22 THR 48 HG22 THR 48 0.028 3.631 -6.553 346 HG23 THR 48 HG23 THR 48 -0.417 3.069 -8.163 347 H PHE 49 HN PHE 49 -2.731 -1.028 -5.996 348 HA PHE 49 HA PHE 49 -5.592 -0.400 -5.663 349 HB2 PHE 49 HB2 PHE 49 -6.042 -2.826 -6.133 350 HB3 PHE 49 HB1 PHE 49 -5.442 -1.921 -7.519 351 HD1 PHE 49 HD1 PHE 49 -4.547 -4.398 -4.939 352 HD2 PHE 49 HD2 PHE 49 -3.370 -2.468 -8.543 353 HE1 PHE 49 HE1 PHE 49 -2.749 -6.050 -5.231 354 HE2 PHE 49 HE2 PHE 49 -1.568 -4.116 -8.841 355 HZ PHE 49 HZ PHE 49 -1.258 -5.910 -7.184 356 H ASP 50 HN ASP 50 -6.660 -1.920 -4.071 357 HA ASP 50 HA ASP 50 -4.836 -2.512 -1.846 358 HB2 ASP 50 HB2 ASP 50 -7.858 -2.468 -1.999 359 HB3 ASP 50 HB1 ASP 50 -6.972 -3.033 -0.588 360 H VAL 51 HN VAL 51 -4.483 -4.596 -1.106 361 HA VAL 51 HA VAL 51 -5.233 -6.639 -3.077 362 HB VAL 51 HB VAL 51 -2.825 -6.273 -2.785 363 HG11 VAL 51 HG11 VAL 51 -1.694 -6.923 -0.722 364 HG12 VAL 51 HG12 VAL 51 -3.252 -7.210 0.049 365 HG13 VAL 51 HG13 VAL 51 -2.802 -5.580 -0.451 366 HG21 VAL 51 HG21 VAL 51 -3.773 -8.955 -1.790 367 HG22 VAL 51 HG22 VAL 51 -2.167 -8.610 -2.431 368 HG23 VAL 51 HG23 VAL 51 -3.583 -8.466 -3.473 369 H GLU 52 HN GLU 52 -6.398 -8.381 -2.548 370 HA GLU 52 HA GLU 52 -6.899 -8.891 0.310 371 HB2 GLU 52 HB2 GLU 52 -8.816 -9.283 -1.995 372 HB3 GLU 52 HB1 GLU 52 -9.122 -9.763 -0.333 373 HG2 GLU 52 HG2 GLU 52 -8.833 -7.337 0.291 374 HG3 GLU 52 HG1 GLU 52 -8.862 -6.987 -1.438 375 H GLU 53 HN GLU 53 -7.016 -11.053 0.951 376 HA GLU 53 HA GLU 53 -5.892 -12.956 -0.989 377 HB2 GLU 53 HB2 GLU 53 -5.922 -13.047 2.038 378 HB3 GLU 53 HB1 GLU 53 -5.194 -14.259 0.989 379 HG2 GLU 53 HG2 GLU 53 -3.549 -12.725 0.221 380 HG3 GLU 53 HG1 GLU 53 -4.362 -11.369 0.999 381 H GLY 54 HN GLY 54 -7.183 -14.495 -1.750 382 HA2 GLY 54 HA2 GLY 54 -9.666 -15.058 -0.251 383 HA3 GLY 54 HA1 GLY 54 -9.589 -15.011 -2.006 384 H GLN 55 HN GLN 55 -10.667 -17.189 -1.271 385 HA GLN 55 HA GLN 55 -8.943 -19.266 -0.417 386 HB2 GLN 55 HB2 GLN 55 -10.883 -20.686 -1.573 387 HB3 GLN 55 HB1 GLN 55 -11.064 -19.931 0.001 388 HG2 GLN 55 HG2 GLN 55 -13.032 -19.580 -1.345 389 HG3 GLN 55 HG1 GLN 55 -12.223 -18.050 -1.032 390 HE21 GLN 55 HE21 GLN 55 -12.984 -20.451 -3.433 391 HE22 GLN 55 HE22 GLN 55 -12.639 -19.461 -4.811 392 H ARG 56 HN ARG 56 -9.692 -17.941 -3.533 393 HA ARG 56 HA ARG 56 -8.435 -20.112 -4.979 394 HB2 ARG 56 HB2 ARG 56 -10.373 -18.867 -5.904 395 HB3 ARG 56 HB1 ARG 56 -9.389 -17.413 -5.957 396 HG2 ARG 56 HG2 ARG 56 -7.914 -18.424 -7.581 397 HG3 ARG 56 HG1 ARG 56 -8.803 -19.946 -7.475 398 HD2 ARG 56 HD2 ARG 56 -10.832 -18.748 -8.257 399 HD3 ARG 56 HD1 ARG 56 -9.849 -17.302 -8.476 400 HE ARG 56 HE ARG 56 -8.535 -18.665 -10.108 401 HH11 ARG 56 HH11 ARG 56 -11.851 -19.489 -9.360 402 HH12 ARG 56 HH12 ARG 56 -12.154 -20.231 -10.903 403 HH21 ARG 56 HH21 ARG 56 -8.944 -19.623 -12.165 404 HH22 ARG 56 HH22 ARG 56 -10.516 -20.303 -12.485 405 H GLY 57 HN GLY 57 -7.581 -17.011 -3.685 406 HA2 GLY 57 HA2 GLY 57 -4.955 -17.149 -3.473 407 HA3 GLY 57 HA1 GLY 57 -5.097 -16.906 -5.209 408 HA PRO 58 HA PRO 58 -4.971 -12.732 -3.180 409 HB2 PRO 58 HB2 PRO 58 -3.071 -11.676 -4.801 410 HB3 PRO 58 HB1 PRO 58 -2.683 -12.594 -3.342 411 HG2 PRO 58 HG2 PRO 58 -2.668 -13.475 -6.199 412 HG3 PRO 58 HG1 PRO 58 -1.516 -13.848 -4.904 413 HD2 PRO 58 HD2 PRO 58 -3.468 -15.569 -5.718 414 HD3 PRO 58 HD1 PRO 58 -2.817 -15.542 -4.068 415 H GLN 59 HN GLN 59 -6.472 -11.349 -3.790 416 HA GLN 59 HA GLN 59 -6.956 -10.943 -6.666 417 HB2 GLN 59 HB2 GLN 59 -9.347 -10.634 -6.145 418 HB3 GLN 59 HB1 GLN 59 -8.786 -12.249 -5.735 419 HG2 GLN 59 HG2 GLN 59 -8.613 -11.574 -3.381 420 HG3 GLN 59 HG1 GLN 59 -9.224 -9.977 -3.809 421 HE21 GLN 59 HE21 GLN 59 -9.990 -13.328 -3.418 422 HE22 GLN 59 HE22 GLN 59 -11.712 -13.157 -3.443 423 H ALA 60 HN ALA 60 -7.754 -8.838 -7.243 424 HA ALA 60 HA ALA 60 -6.672 -6.793 -5.446 425 HB1 ALA 60 HB1 ALA 60 -5.737 -6.868 -7.695 426 HB2 ALA 60 HB2 ALA 60 -6.592 -5.351 -7.419 427 HB3 ALA 60 HB3 ALA 60 -7.343 -6.625 -8.380 428 H ALA 61 HN ALA 61 -7.873 -5.269 -4.541 429 HA ALA 61 HA ALA 61 -10.595 -4.776 -5.556 430 HB1 ALA 61 HB1 ALA 61 -10.771 -6.137 -3.516 431 HB2 ALA 61 HB2 ALA 61 -11.398 -4.509 -3.259 432 HB3 ALA 61 HB3 ALA 61 -9.805 -4.947 -2.644 433 H ASN 62 HN ASN 62 -11.305 -2.584 -5.242 434 HA ASN 62 HA ASN 62 -10.933 -0.343 -5.532 435 HB2 ASN 62 HB2 ASN 62 -8.891 -0.709 -3.329 436 HB3 ASN 62 HB1 ASN 62 -9.646 0.804 -3.804 437 HD21 ASN 62 HD21 ASN 62 -9.552 -0.526 -1.230 438 HD22 ASN 62 HD22 ASN 62 -11.204 -0.771 -0.747 439 H VAL 63 HN VAL 63 -9.982 -0.868 -7.638 440 HA VAL 63 HA VAL 63 -7.053 -0.740 -7.703 441 HB VAL 63 HB VAL 63 -8.968 -1.534 -9.903 442 HG11 VAL 63 HG11 VAL 63 -6.992 -2.284 -11.104 443 HG12 VAL 63 HG12 VAL 63 -5.960 -1.733 -9.784 444 HG13 VAL 63 HG13 VAL 63 -6.873 -0.562 -10.737 445 HG21 VAL 63 HG21 VAL 63 -8.158 -3.807 -9.522 446 HG22 VAL 63 HG22 VAL 63 -8.944 -3.160 -8.080 447 HG23 VAL 63 HG23 VAL 63 -7.181 -3.239 -8.166 448 H GLN 64 HN GLN 64 -6.495 1.340 -7.666 449 HA GLN 64 HA GLN 64 -7.677 3.133 -9.678 450 HB2 GLN 64 HB2 GLN 64 -6.044 3.784 -7.216 451 HB3 GLN 64 HB1 GLN 64 -6.697 4.963 -8.344 452 HG2 GLN 64 HG2 GLN 64 -8.947 4.347 -7.752 453 HG3 GLN 64 HG1 GLN 64 -8.352 3.057 -6.712 454 HE21 GLN 64 HE21 GLN 64 -8.740 6.495 -7.083 455 HE22 GLN 64 HE22 GLN 64 -8.426 6.900 -5.426 456 H LYS 65 HN LYS 65 -5.916 4.728 -10.569 457 HA LYS 65 HA LYS 65 -3.688 3.036 -11.426 458 HB2 LYS 65 HB2 LYS 65 -3.305 4.679 -13.185 459 HB3 LYS 65 HB1 LYS 65 -4.986 4.172 -13.181 460 HG2 LYS 65 HG2 LYS 65 -5.656 6.224 -12.120 461 HG3 LYS 65 HG1 LYS 65 -3.970 6.721 -11.946 462 HD2 LYS 65 HD2 LYS 65 -3.735 6.725 -14.393 463 HD3 LYS 65 HD1 LYS 65 -5.432 6.267 -14.548 464 HE2 LYS 65 HE2 LYS 65 -5.124 8.668 -14.884 465 HE3 LYS 65 HE1 LYS 65 -6.105 8.336 -13.457 466 HZ1 LYS 65 HZ1 LYS 65 -4.287 8.832 -12.044 467 HZ2 LYS 65 HZ2 LYS 65 -4.381 10.093 -13.171 468 HZ3 LYS 65 HZ3 LYS 65 -3.191 8.890 -13.337 469 H ALA 66 HN ALA 66 -1.539 4.186 -11.718 470 HA ALA 66 HA ALA 66 -0.958 5.709 -9.288 471 HB1 ALA 66 HB1 ALA 66 1.410 5.216 -9.808 472 HB2 ALA 66 HB2 ALA 66 0.882 4.293 -11.216 473 HB3 ALA 66 HB3 ALA 66 0.430 3.765 -9.591 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -3.016 -2.058 -3.318 2 H2 MET 1 HT2 MET 1 -3.232 -1.792 -1.657 3 H3 MET 1 HT3 MET 1 -1.871 -2.648 -2.213 4 HA MET 1 HA MET 1 -2.440 0.196 -2.844 5 HB2 MET 1 HB2 MET 1 -0.796 0.805 -1.222 6 HB3 MET 1 HB1 MET 1 -1.898 -0.305 -0.418 7 HG2 MET 1 HG2 MET 1 -0.279 -2.138 -0.841 8 HG3 MET 1 HG1 MET 1 0.841 -0.944 -1.492 9 HE1 MET 1 HE1 MET 1 -0.931 -2.387 1.647 10 HE2 MET 1 HE2 MET 1 -1.627 -0.765 1.588 11 HE3 MET 1 HE3 MET 1 -0.530 -1.210 2.896 12 H GLU 2 HN GLU 2 -1.638 -2.232 -4.464 13 HA GLU 2 HA GLU 2 1.216 -1.814 -4.902 14 HB2 GLU 2 HB2 GLU 2 -0.621 -3.957 -5.996 15 HB3 GLU 2 HB1 GLU 2 1.126 -3.918 -6.154 16 HG2 GLU 2 HG2 GLU 2 0.541 -5.505 -4.468 17 HG3 GLU 2 HG1 GLU 2 1.307 -4.123 -3.689 18 H GLN 3 HN GLN 3 1.961 -0.729 -6.609 19 HA GLN 3 HA GLN 3 0.122 0.009 -8.745 20 HB2 GLN 3 HB2 GLN 3 1.688 1.685 -7.739 21 HB3 GLN 3 HB1 GLN 3 3.033 0.751 -8.378 22 HG2 GLN 3 HG2 GLN 3 2.191 1.131 -10.655 23 HG3 GLN 3 HG1 GLN 3 0.887 2.115 -9.988 24 HE21 GLN 3 HE21 GLN 3 4.278 1.933 -10.680 25 HE22 GLN 3 HE22 GLN 3 4.637 3.606 -10.383 26 H GLY 4 HN GLY 4 -0.201 -1.686 -10.081 27 HA2 GLY 4 HA2 GLY 4 2.200 -3.129 -11.024 28 HA3 GLY 4 HA1 GLY 4 0.673 -3.935 -10.699 29 H THR 5 HN THR 5 1.960 -4.194 -13.100 30 HA THR 5 HA THR 5 0.433 -2.516 -14.955 31 HB THR 5 HB THR 5 2.142 -3.923 -16.542 32 HG1 THR 5 HG1 THR 5 3.590 -4.801 -15.263 33 HG21 THR 5 HG21 THR 5 1.821 -1.500 -16.593 34 HG22 THR 5 HG22 THR 5 3.539 -1.897 -16.562 35 HG23 THR 5 HG23 THR 5 2.737 -1.337 -15.095 36 H VAL 6 HN VAL 6 -1.168 -3.354 -16.106 37 HA VAL 6 HA VAL 6 -2.069 -6.024 -15.653 38 HB VAL 6 HB VAL 6 -2.994 -4.178 -17.859 39 HG11 VAL 6 HG11 VAL 6 -3.831 -6.436 -18.033 40 HG12 VAL 6 HG12 VAL 6 -5.135 -5.348 -17.557 41 HG13 VAL 6 HG13 VAL 6 -4.374 -6.392 -16.356 42 HG21 VAL 6 HG21 VAL 6 -3.016 -2.949 -15.754 43 HG22 VAL 6 HG22 VAL 6 -3.941 -4.246 -15.001 44 HG23 VAL 6 HG23 VAL 6 -4.655 -3.298 -16.304 45 H LYS 7 HN LYS 7 -1.353 -7.838 -16.657 46 HA LYS 7 HA LYS 7 0.359 -7.660 -18.955 47 HB2 LYS 7 HB2 LYS 7 -0.786 -9.956 -17.399 48 HB3 LYS 7 HB1 LYS 7 0.011 -10.234 -18.939 49 HG2 LYS 7 HG2 LYS 7 2.007 -9.003 -17.969 50 HG3 LYS 7 HG1 LYS 7 1.195 -9.143 -16.406 51 HD2 LYS 7 HD2 LYS 7 1.186 -11.537 -16.559 52 HD3 LYS 7 HD1 LYS 7 1.800 -11.478 -18.211 53 HE2 LYS 7 HE2 LYS 7 3.593 -12.059 -16.703 54 HE3 LYS 7 HE1 LYS 7 3.880 -10.455 -17.373 55 HZ1 LYS 7 HZ1 LYS 7 3.210 -9.455 -15.356 56 HZ2 LYS 7 HZ2 LYS 7 4.294 -10.685 -14.935 57 HZ3 LYS 7 HZ3 LYS 7 2.624 -10.915 -14.725 58 H TRP 8 HN TRP 8 -2.911 -8.912 -18.382 59 HA TRP 8 HA TRP 8 -3.773 -8.094 -20.978 60 HB2 TRP 8 HB2 TRP 8 -4.285 -10.240 -21.926 61 HB3 TRP 8 HB1 TRP 8 -2.588 -10.264 -21.468 62 HD1 TRP 8 HD1 TRP 8 -2.130 -11.546 -18.962 63 HE1 TRP 8 HE1 TRP 8 -3.218 -13.720 -18.103 64 HE3 TRP 8 HE3 TRP 8 -6.240 -11.649 -22.000 65 HZ2 TRP 8 HZ2 TRP 8 -5.514 -15.267 -18.649 66 HZ3 TRP 8 HZ3 TRP 8 -7.831 -13.512 -21.772 67 HH2 TRP 8 HH2 TRP 8 -7.473 -15.285 -20.131 68 H PHE 9 HN PHE 9 -6.117 -8.670 -21.298 69 HA PHE 9 HA PHE 9 -7.520 -9.298 -18.823 70 HB2 PHE 9 HB2 PHE 9 -8.916 -7.276 -18.937 71 HB3 PHE 9 HB1 PHE 9 -7.221 -6.873 -18.704 72 HD1 PHE 9 HD1 PHE 9 -5.894 -6.316 -20.899 73 HD2 PHE 9 HD2 PHE 9 -10.131 -6.173 -20.538 74 HE1 PHE 9 HE1 PHE 9 -6.002 -4.804 -22.833 75 HE2 PHE 9 HE2 PHE 9 -10.246 -4.661 -22.476 76 HZ PHE 9 HZ PHE 9 -8.180 -3.977 -23.626 77 H ASN 10 HN ASN 10 -9.073 -10.709 -19.277 78 HA ASN 10 HA ASN 10 -10.001 -10.995 -22.007 79 HB2 ASN 10 HB2 ASN 10 -9.563 -12.990 -20.533 80 HB3 ASN 10 HB1 ASN 10 -10.944 -12.503 -19.555 81 HD21 ASN 10 HD21 ASN 10 -10.563 -14.959 -21.052 82 HD22 ASN 10 HD22 ASN 10 -11.867 -15.040 -22.187 83 H ALA 11 HN ALA 11 -11.015 -9.030 -22.302 84 HA ALA 11 HA ALA 11 -13.111 -8.076 -20.624 85 HB1 ALA 11 HB1 ALA 11 -13.481 -6.419 -22.373 86 HB2 ALA 11 HB2 ALA 11 -12.436 -7.326 -23.466 87 HB3 ALA 11 HB3 ALA 11 -11.763 -6.587 -22.013 88 H GLU 12 HN GLU 12 -13.050 -10.645 -22.741 89 HA GLU 12 HA GLU 12 -15.794 -10.379 -23.636 90 HB2 GLU 12 HB2 GLU 12 -13.788 -12.621 -23.922 91 HB3 GLU 12 HB1 GLU 12 -15.407 -12.650 -24.606 92 HG2 GLU 12 HG2 GLU 12 -13.260 -10.649 -25.277 93 HG3 GLU 12 HG1 GLU 12 -13.723 -12.041 -26.260 94 H LYS 13 HN LYS 13 -14.058 -11.667 -20.988 95 HA LYS 13 HA LYS 13 -16.446 -13.132 -20.069 96 HB2 LYS 13 HB2 LYS 13 -13.537 -13.341 -19.296 97 HB3 LYS 13 HB1 LYS 13 -14.819 -14.074 -18.345 98 HG2 LYS 13 HG2 LYS 13 -14.370 -14.674 -21.256 99 HG3 LYS 13 HG1 LYS 13 -13.651 -15.606 -19.941 100 HD2 LYS 13 HD2 LYS 13 -15.882 -16.118 -19.082 101 HD3 LYS 13 HD1 LYS 13 -16.602 -15.179 -20.391 102 HE2 LYS 13 HE2 LYS 13 -14.855 -17.607 -20.776 103 HE3 LYS 13 HE1 LYS 13 -16.618 -17.628 -20.794 104 HZ1 LYS 13 HZ1 LYS 13 -14.911 -16.066 -22.662 105 HZ2 LYS 13 HZ2 LYS 13 -16.605 -16.170 -22.698 106 HZ3 LYS 13 HZ3 LYS 13 -15.664 -17.540 -23.023 107 H GLY 14 HN GLY 14 -13.911 -10.894 -19.020 108 HA2 GLY 14 HA2 GLY 14 -14.646 -8.863 -17.861 109 HA3 GLY 14 HA1 GLY 14 -15.800 -9.870 -16.999 110 H PHE 15 HN PHE 15 -12.368 -10.482 -17.679 111 HA PHE 15 HA PHE 15 -11.666 -9.867 -14.940 112 HB2 PHE 15 HB2 PHE 15 -10.784 -12.029 -14.357 113 HB3 PHE 15 HB1 PHE 15 -12.463 -12.235 -14.829 114 HD1 PHE 15 HD2 PHE 15 -8.975 -12.878 -15.740 115 HD2 PHE 15 HD1 PHE 15 -13.051 -13.482 -16.804 116 HE1 PHE 15 HE2 PHE 15 -8.295 -14.639 -17.315 117 HE2 PHE 15 HE1 PHE 15 -12.377 -15.252 -18.375 118 HZ PHE 15 HZ PHE 15 -9.998 -15.831 -18.636 119 H GLY 16 HN GLY 16 -9.307 -10.008 -14.586 120 HA2 GLY 16 HA2 GLY 16 -7.664 -10.186 -16.978 121 HA3 GLY 16 HA1 GLY 16 -7.788 -8.585 -16.263 122 H PHE 17 HN PHE 17 -5.338 -9.619 -16.442 123 HA PHE 17 HA PHE 17 -4.740 -10.401 -13.670 124 HB2 PHE 17 HB2 PHE 17 -3.447 -11.365 -16.220 125 HB3 PHE 17 HB1 PHE 17 -2.679 -11.536 -14.645 126 HD1 PHE 17 HD2 PHE 17 -5.449 -12.640 -16.775 127 HD2 PHE 17 HD1 PHE 17 -3.485 -13.106 -13.027 128 HE1 PHE 17 HE2 PHE 17 -6.687 -14.729 -16.391 129 HE2 PHE 17 HE1 PHE 17 -4.715 -15.201 -12.642 130 HZ PHE 17 HZ PHE 17 -6.321 -16.015 -14.326 131 H ILE 18 HN ILE 18 -3.752 -8.852 -12.641 132 HA ILE 18 HA ILE 18 -1.996 -7.000 -14.130 133 HB ILE 18 HB ILE 18 -3.128 -6.474 -11.382 134 HG12 ILE 18 HG12 ILE 18 -4.368 -5.675 -14.027 135 HG13 ILE 18 HG11 ILE 18 -5.012 -6.899 -12.938 136 HG21 ILE 18 HG21 ILE 18 -2.097 -4.676 -13.573 137 HG22 ILE 18 HG22 ILE 18 -1.255 -5.094 -12.080 138 HG23 ILE 18 HG23 ILE 18 -2.732 -4.132 -12.020 139 HD11 ILE 18 HD11 ILE 18 -4.707 -3.965 -12.327 140 HD12 ILE 18 HD12 ILE 18 -5.350 -5.188 -11.231 141 HD13 ILE 18 HD13 ILE 18 -6.211 -4.801 -12.720 142 H GLU 19 HN GLU 19 0.148 -7.112 -13.673 143 HA GLU 19 HA GLU 19 0.942 -9.292 -11.989 144 HB2 GLU 19 HB2 GLU 19 3.146 -8.978 -12.852 145 HB3 GLU 19 HB1 GLU 19 2.012 -8.798 -14.180 146 HG2 GLU 19 HG2 GLU 19 2.220 -6.362 -14.019 147 HG3 GLU 19 HG1 GLU 19 3.369 -6.558 -12.698 148 H ARG 20 HN ARG 20 1.849 -9.290 -10.059 149 HA ARG 20 HA ARG 20 2.314 -6.772 -8.669 150 HB2 ARG 20 HB2 ARG 20 1.133 -8.711 -7.601 151 HB3 ARG 20 HB1 ARG 20 2.626 -9.628 -7.714 152 HG2 ARG 20 HG2 ARG 20 3.716 -8.046 -6.213 153 HG3 ARG 20 HG1 ARG 20 2.219 -7.113 -6.111 154 HD2 ARG 20 HD2 ARG 20 1.068 -9.007 -5.139 155 HD3 ARG 20 HD1 ARG 20 2.507 -10.008 -5.322 156 HE ARG 20 HE ARG 20 3.187 -7.770 -3.781 157 HH11 ARG 20 HH11 ARG 20 1.190 -10.646 -3.569 158 HH12 ARG 20 HH12 ARG 20 1.320 -10.758 -1.839 159 HH21 ARG 20 HH21 ARG 20 3.364 -7.917 -1.514 160 HH22 ARG 20 HH22 ARG 20 2.576 -9.223 -0.672 161 H GLU 21 HN GLU 21 4.456 -6.578 -7.458 162 HA GLU 21 HA GLU 21 6.501 -6.719 -9.434 163 HB2 GLU 21 HB2 GLU 21 7.907 -5.810 -7.405 164 HB3 GLU 21 HB1 GLU 21 6.729 -4.798 -8.223 165 HG2 GLU 21 HG2 GLU 21 6.559 -4.522 -5.839 166 HG3 GLU 21 HG1 GLU 21 5.099 -5.280 -6.463 167 H ASN 22 HN ASN 22 5.436 -9.158 -7.647 168 HA ASN 22 HA ASN 22 8.094 -10.375 -7.317 169 HB2 ASN 22 HB2 ASN 22 5.468 -10.775 -5.973 170 HB3 ASN 22 HB1 ASN 22 6.497 -12.189 -6.170 171 HD21 ASN 22 HD21 ASN 22 6.204 -9.028 -4.709 172 HD22 ASN 22 HD22 ASN 22 7.464 -9.254 -3.540 173 H GLY 23 HN GLY 23 5.981 -10.069 -9.688 174 HA2 GLY 23 HA2 GLY 23 5.658 -11.359 -11.610 175 HA3 GLY 23 HA1 GLY 23 6.443 -12.715 -10.804 176 H ASP 24 HN ASP 24 4.339 -11.472 -8.689 177 HA ASP 24 HA ASP 24 2.522 -13.667 -8.901 178 HB2 ASP 24 HB2 ASP 24 3.302 -12.798 -6.735 179 HB3 ASP 24 HB1 ASP 24 2.549 -11.247 -7.078 180 H ASP 25 HN ASP 25 1.534 -13.326 -10.920 181 HA ASP 25 HA ASP 25 0.188 -10.959 -11.649 182 HB2 ASP 25 HB2 ASP 25 -0.228 -13.811 -12.561 183 HB3 ASP 25 HB1 ASP 25 -1.059 -12.431 -13.273 184 H VAL 26 HN VAL 26 -1.412 -10.061 -10.610 185 HA VAL 26 HA VAL 26 -3.061 -11.610 -8.808 186 HB VAL 26 HB VAL 26 -3.144 -8.637 -9.364 187 HG11 VAL 26 HG11 VAL 26 -4.181 -8.498 -7.156 188 HG12 VAL 26 HG12 VAL 26 -4.139 -10.256 -7.026 189 HG13 VAL 26 HG13 VAL 26 -5.140 -9.487 -8.259 190 HG21 VAL 26 HG21 VAL 26 -0.910 -9.318 -8.636 191 HG22 VAL 26 HG22 VAL 26 -1.612 -10.126 -7.235 192 HG23 VAL 26 HG23 VAL 26 -1.730 -8.374 -7.393 193 H PHE 27 HN PHE 27 -5.088 -12.215 -9.144 194 HA PHE 27 HA PHE 27 -6.276 -11.787 -11.754 195 HB2 PHE 27 HB2 PHE 27 -6.314 -14.030 -10.841 196 HB3 PHE 27 HB1 PHE 27 -7.089 -13.463 -9.368 197 HD1 PHE 27 HD2 PHE 27 -7.590 -13.990 -12.990 198 HD2 PHE 27 HD1 PHE 27 -9.430 -13.264 -9.220 199 HE1 PHE 27 HE2 PHE 27 -9.791 -14.453 -13.978 200 HE2 PHE 27 HE1 PHE 27 -11.636 -13.732 -10.204 201 HZ PHE 27 HZ PHE 27 -11.817 -14.324 -12.587 202 H VAL 28 HN VAL 28 -7.701 -10.226 -12.171 203 HA VAL 28 HA VAL 28 -9.308 -9.178 -9.927 204 HB VAL 28 HB VAL 28 -7.622 -7.543 -10.757 205 HG11 VAL 28 HG11 VAL 28 -9.200 -7.627 -13.321 206 HG12 VAL 28 HG12 VAL 28 -7.550 -8.204 -13.095 207 HG13 VAL 28 HG13 VAL 28 -7.912 -6.485 -12.936 208 HG21 VAL 28 HG21 VAL 28 -9.653 -6.753 -9.697 209 HG22 VAL 28 HG22 VAL 28 -10.494 -6.778 -11.248 210 HG23 VAL 28 HG23 VAL 28 -9.161 -5.654 -10.986 211 H HIS 29 HN HIS 29 -11.487 -8.735 -10.326 212 HA HIS 29 HA HIS 29 -12.537 -9.926 -12.810 213 HB2 HIS 29 HB2 HIS 29 -13.034 -10.890 -10.395 214 HB3 HIS 29 HB1 HIS 29 -14.218 -9.590 -10.354 215 HD1 HIS 29 HD1 HIS 29 -16.387 -10.775 -10.642 216 HD2 HIS 29 HD2 HIS 29 -13.526 -12.054 -13.378 217 HE1 HIS 29 HE1 HIS 29 -17.575 -12.389 -12.165 218 HE2 HIS 29 HE2 HIS 29 -15.887 -12.960 -13.943 219 H PHE 30 HN PHE 30 -14.574 -8.933 -13.615 220 HA PHE 30 HA PHE 30 -14.056 -6.331 -14.309 221 HB2 PHE 30 HB2 PHE 30 -16.204 -6.262 -15.386 222 HB3 PHE 30 HB1 PHE 30 -15.535 -7.877 -15.571 223 HD1 PHE 30 HD1 PHE 30 -16.439 -9.731 -14.119 224 HD2 PHE 30 HD2 PHE 30 -18.281 -5.904 -14.372 225 HE1 PHE 30 HE1 PHE 30 -18.526 -10.677 -13.222 226 HE2 PHE 30 HE2 PHE 30 -20.370 -6.842 -13.475 227 HZ PHE 30 HZ PHE 30 -20.492 -9.234 -12.899 228 H SER 31 HN SER 31 -16.191 -7.380 -11.660 229 HA SER 31 HA SER 31 -17.113 -4.672 -11.269 230 HB2 SER 31 HB2 SER 31 -18.638 -6.583 -10.907 231 HB3 SER 31 HB1 SER 31 -17.622 -7.123 -9.571 232 HG SER 31 HG SER 31 -18.159 -4.591 -9.111 233 H ALA 32 HN ALA 32 -14.392 -6.366 -10.375 234 HA ALA 32 HA ALA 32 -13.964 -4.837 -7.924 235 HB1 ALA 32 HB1 ALA 32 -13.290 -7.206 -7.960 236 HB2 ALA 32 HB2 ALA 32 -11.920 -6.133 -7.681 237 HB3 ALA 32 HB3 ALA 32 -12.165 -6.853 -9.272 238 H ILE 33 HN ILE 33 -13.288 -4.839 -11.265 239 HA ILE 33 HA ILE 33 -11.094 -2.997 -11.235 240 HB ILE 33 HB ILE 33 -13.023 -3.591 -13.498 241 HG12 ILE 33 HG12 ILE 33 -10.376 -4.911 -12.859 242 HG13 ILE 33 HG11 ILE 33 -11.958 -5.650 -12.638 243 HG21 ILE 33 HG21 ILE 33 -11.699 -1.581 -13.847 244 HG22 ILE 33 HG22 ILE 33 -11.168 -2.864 -14.935 245 HG23 ILE 33 HG23 ILE 33 -10.219 -2.476 -13.500 246 HD11 ILE 33 HD11 ILE 33 -10.806 -4.761 -15.272 247 HD12 ILE 33 HD12 ILE 33 -12.351 -5.574 -15.025 248 HD13 ILE 33 HD13 ILE 33 -10.844 -6.421 -14.675 249 H GLN 34 HN GLN 34 -11.234 -0.769 -11.900 250 HA GLN 34 HA GLN 34 -13.384 0.632 -10.693 251 HB2 GLN 34 HB2 GLN 34 -12.252 2.647 -11.479 252 HB3 GLN 34 HB1 GLN 34 -11.111 1.535 -10.740 253 HG2 GLN 34 HG2 GLN 34 -10.434 0.782 -12.992 254 HG3 GLN 34 HG1 GLN 34 -11.524 1.980 -13.690 255 HE21 GLN 34 HE21 GLN 34 -9.611 2.483 -10.804 256 HE22 GLN 34 HE22 GLN 34 -8.566 3.680 -11.484 257 H GLY 35 HN GLY 35 -15.269 1.245 -11.536 258 HA2 GLY 35 HA2 GLY 35 -15.801 0.796 -14.351 259 HA3 GLY 35 HA1 GLY 35 -16.966 1.308 -13.136 260 H ASP 36 HN ASP 36 -14.592 3.278 -12.504 261 HA ASP 36 HA ASP 36 -15.302 5.281 -14.534 262 HB2 ASP 36 HB2 ASP 36 -14.961 5.693 -11.551 263 HB3 ASP 36 HB1 ASP 36 -15.134 6.996 -12.721 264 H GLY 37 HN GLY 37 -13.638 6.732 -15.097 265 HA2 GLY 37 HA2 GLY 37 -11.367 7.503 -14.934 266 HA3 GLY 37 HA1 GLY 37 -10.950 5.992 -14.131 267 H PHE 38 HN PHE 38 -10.655 4.117 -15.354 268 HA PHE 38 HA PHE 38 -10.524 4.551 -18.269 269 HB2 PHE 38 HB2 PHE 38 -8.958 2.607 -16.551 270 HB3 PHE 38 HB1 PHE 38 -8.883 2.682 -18.305 271 HD1 PHE 38 HD1 PHE 38 -8.232 5.018 -19.291 272 HD2 PHE 38 HD2 PHE 38 -7.406 3.760 -15.317 273 HE1 PHE 38 HE1 PHE 38 -6.412 6.669 -19.153 274 HE2 PHE 38 HE2 PHE 38 -5.592 5.414 -15.164 275 HZ PHE 38 HZ PHE 38 -5.091 6.872 -17.086 276 H LYS 39 HN LYS 39 -12.311 3.722 -19.176 277 HA LYS 39 HA LYS 39 -13.779 1.577 -17.992 278 HB2 LYS 39 HB2 LYS 39 -15.323 1.799 -19.754 279 HB3 LYS 39 HB1 LYS 39 -14.721 3.426 -19.491 280 HG2 LYS 39 HG2 LYS 39 -13.704 1.592 -21.647 281 HG3 LYS 39 HG1 LYS 39 -14.993 2.770 -21.878 282 HD2 LYS 39 HD2 LYS 39 -13.452 4.573 -21.275 283 HD3 LYS 39 HD1 LYS 39 -12.162 3.391 -21.036 284 HE2 LYS 39 HE2 LYS 39 -12.423 2.709 -23.409 285 HE3 LYS 39 HE1 LYS 39 -13.600 4.006 -23.614 286 HZ1 LYS 39 HZ1 LYS 39 -10.776 4.394 -22.783 287 HZ2 LYS 39 HZ2 LYS 39 -11.905 5.619 -23.101 288 HZ3 LYS 39 HZ3 LYS 39 -11.361 4.621 -24.358 289 H SER 40 HN SER 40 -11.064 1.753 -19.990 290 HA SER 40 HA SER 40 -11.040 -1.149 -20.191 291 HB2 SER 40 HB2 SER 40 -10.083 -0.933 -22.533 292 HB3 SER 40 HB1 SER 40 -11.803 -0.577 -22.379 293 HG SER 40 HG SER 40 -11.022 1.081 -23.557 294 H LEU 41 HN LEU 41 -9.277 -1.761 -19.148 295 HA LEU 41 HA LEU 41 -7.089 0.065 -18.737 296 HB2 LEU 41 HB2 LEU 41 -7.631 -2.745 -17.804 297 HB3 LEU 41 HB1 LEU 41 -6.093 -1.958 -17.518 298 HG LEU 41 HG LEU 41 -7.415 -1.770 -15.535 299 HD11 LEU 41 HD11 LEU 41 -6.060 0.160 -16.038 300 HD12 LEU 41 HD12 LEU 41 -7.569 0.670 -15.280 301 HD13 LEU 41 HD13 LEU 41 -7.353 0.847 -17.021 302 HD21 LEU 41 HD21 LEU 41 -9.586 -0.635 -15.502 303 HD22 LEU 41 HD22 LEU 41 -9.621 -2.109 -16.469 304 HD23 LEU 41 HD23 LEU 41 -9.550 -0.536 -17.263 305 H ASP 42 HN ASP 42 -5.313 0.190 -19.898 306 HA ASP 42 HA ASP 42 -4.907 -1.294 -22.264 307 HB2 ASP 42 HB2 ASP 42 -2.842 0.293 -20.717 308 HB3 ASP 42 HB1 ASP 42 -2.795 -0.115 -22.428 309 H GLU 43 HN GLU 43 -3.510 -3.006 -22.716 310 HA GLU 43 HA GLU 43 -2.627 -4.512 -20.421 311 HB2 GLU 43 HB2 GLU 43 -1.653 -6.061 -22.292 312 HB3 GLU 43 HB1 GLU 43 -3.371 -6.033 -21.956 313 HG2 GLU 43 HG2 GLU 43 -3.380 -5.985 -24.227 314 HG3 GLU 43 HG1 GLU 43 -3.416 -4.263 -23.884 315 H GLY 44 HN GLY 44 -1.106 -3.493 -19.408 316 HA2 GLY 44 HA2 GLY 44 1.405 -3.230 -19.444 317 HA3 GLY 44 HA1 GLY 44 1.135 -2.333 -20.936 318 H GLN 45 HN GLN 45 -1.475 -1.745 -19.101 319 HA GLN 45 HA GLN 45 -0.634 0.897 -18.354 320 HB2 GLN 45 HB2 GLN 45 -2.909 0.394 -19.200 321 HB3 GLN 45 HB1 GLN 45 -3.209 -0.581 -17.773 322 HG2 GLN 45 HG2 GLN 45 -4.255 1.594 -17.594 323 HG3 GLN 45 HG1 GLN 45 -3.008 1.388 -16.365 324 HE21 GLN 45 HE21 GLN 45 -3.877 2.986 -19.339 325 HE22 GLN 45 HE22 GLN 45 -2.666 4.220 -19.250 326 H ALA 46 HN ALA 46 -0.272 1.694 -16.324 327 HA ALA 46 HA ALA 46 0.107 -0.307 -14.208 328 HB1 ALA 46 HB1 ALA 46 2.079 1.032 -14.875 329 HB2 ALA 46 HB2 ALA 46 1.636 1.258 -13.184 330 HB3 ALA 46 HB3 ALA 46 1.227 2.493 -14.374 331 H VAL 47 HN VAL 47 -1.319 -0.387 -12.629 332 HA VAL 47 HA VAL 47 -2.746 2.063 -11.866 333 HB VAL 47 HB VAL 47 -4.820 0.704 -11.512 334 HG11 VAL 47 HG11 VAL 47 -4.643 2.135 -13.448 335 HG12 VAL 47 HG12 VAL 47 -5.464 0.640 -13.898 336 HG13 VAL 47 HG13 VAL 47 -3.773 0.884 -14.335 337 HG21 VAL 47 HG21 VAL 47 -5.031 -1.443 -12.686 338 HG22 VAL 47 HG22 VAL 47 -3.806 -1.508 -11.419 339 HG23 VAL 47 HG23 VAL 47 -3.319 -1.374 -13.107 340 H THR 48 HN THR 48 -3.690 1.958 -9.694 341 HA THR 48 HA THR 48 -1.980 0.337 -7.931 342 HB THR 48 HB THR 48 -2.651 1.998 -6.163 343 HG1 THR 48 HG1 THR 48 -4.527 2.671 -7.677 344 HG21 THR 48 HG21 THR 48 -0.536 2.171 -7.489 345 HG22 THR 48 HG22 THR 48 -1.138 3.715 -6.892 346 HG23 THR 48 HG23 THR 48 -1.372 3.271 -8.583 347 H PHE 49 HN PHE 49 -3.013 -1.518 -7.618 348 HA PHE 49 HA PHE 49 -5.843 -1.450 -6.810 349 HB2 PHE 49 HB2 PHE 49 -5.801 -3.892 -7.319 350 HB3 PHE 49 HB1 PHE 49 -5.415 -2.894 -8.718 351 HD1 PHE 49 HD1 PHE 49 -4.023 -5.138 -6.165 352 HD2 PHE 49 HD2 PHE 49 -3.274 -3.009 -9.765 353 HE1 PHE 49 HE1 PHE 49 -1.936 -6.405 -6.469 354 HE2 PHE 49 HE2 PHE 49 -1.180 -4.260 -10.071 355 HZ PHE 49 HZ PHE 49 -0.509 -5.960 -8.425 356 H ASP 50 HN ASP 50 -6.432 -3.052 -5.048 357 HA ASP 50 HA ASP 50 -4.132 -3.448 -3.231 358 HB2 ASP 50 HB2 ASP 50 -6.104 -1.908 -2.522 359 HB3 ASP 50 HB1 ASP 50 -6.972 -3.419 -2.258 360 H VAL 51 HN VAL 51 -3.467 -5.472 -3.251 361 HA VAL 51 HA VAL 51 -5.031 -7.577 -4.325 362 HB VAL 51 HB VAL 51 -2.612 -7.565 -4.549 363 HG11 VAL 51 HG11 VAL 51 -2.512 -8.071 -1.581 364 HG12 VAL 51 HG12 VAL 51 -2.006 -6.594 -2.402 365 HG13 VAL 51 HG13 VAL 51 -1.138 -8.102 -2.687 366 HG21 VAL 51 HG21 VAL 51 -2.169 -9.921 -3.926 367 HG22 VAL 51 HG22 VAL 51 -3.707 -9.695 -4.757 368 HG23 VAL 51 HG23 VAL 51 -3.676 -9.928 -3.009 369 H GLU 52 HN GLU 52 -6.494 -8.796 -3.422 370 HA GLU 52 HA GLU 52 -6.547 -9.153 -0.508 371 HB2 GLU 52 HB2 GLU 52 -8.590 -9.788 -2.657 372 HB3 GLU 52 HB1 GLU 52 -8.807 -10.131 -0.947 373 HG2 GLU 52 HG2 GLU 52 -8.246 -7.348 -1.876 374 HG3 GLU 52 HG1 GLU 52 -9.873 -8.020 -1.971 375 H GLU 53 HN GLU 53 -6.053 -11.137 0.365 376 HA GLU 53 HA GLU 53 -5.195 -13.202 -1.491 377 HB2 GLU 53 HB2 GLU 53 -4.357 -14.376 0.499 378 HB3 GLU 53 HB1 GLU 53 -3.739 -12.736 0.392 379 HG2 GLU 53 HG2 GLU 53 -5.310 -12.008 2.086 380 HG3 GLU 53 HG1 GLU 53 -6.009 -13.626 2.159 381 H GLY 54 HN GLY 54 -6.367 -14.930 -2.037 382 HA2 GLY 54 HA2 GLY 54 -8.482 -15.868 -0.274 383 HA3 GLY 54 HA1 GLY 54 -9.018 -15.198 -1.805 384 H GLN 55 HN GLN 55 -9.922 -17.239 -2.279 385 HA GLN 55 HA GLN 55 -8.450 -19.656 -2.272 386 HB2 GLN 55 HB2 GLN 55 -10.899 -19.007 -3.917 387 HB3 GLN 55 HB1 GLN 55 -10.351 -20.603 -3.419 388 HG2 GLN 55 HG2 GLN 55 -10.793 -20.056 -1.097 389 HG3 GLN 55 HG1 GLN 55 -11.283 -18.425 -1.561 390 HE21 GLN 55 HE21 GLN 55 -12.163 -21.769 -1.463 391 HE22 GLN 55 HE22 GLN 55 -13.829 -21.548 -1.911 392 H ARG 56 HN ARG 56 -8.701 -17.085 -4.563 393 HA ARG 56 HA ARG 56 -7.527 -18.692 -6.702 394 HB2 ARG 56 HB2 ARG 56 -8.704 -15.933 -6.566 395 HB3 ARG 56 HB1 ARG 56 -7.663 -16.379 -7.907 396 HG2 ARG 56 HG2 ARG 56 -9.940 -16.668 -8.565 397 HG3 ARG 56 HG1 ARG 56 -9.196 -18.259 -8.412 398 HD2 ARG 56 HD2 ARG 56 -11.374 -18.355 -7.445 399 HD3 ARG 56 HD1 ARG 56 -10.189 -18.436 -6.144 400 HE ARG 56 HE ARG 56 -10.825 -15.779 -6.339 401 HH11 ARG 56 HH11 ARG 56 -12.616 -18.751 -5.806 402 HH12 ARG 56 HH12 ARG 56 -13.878 -17.959 -4.903 403 HH21 ARG 56 HH21 ARG 56 -12.491 -14.761 -5.148 404 HH22 ARG 56 HH22 ARG 56 -13.831 -15.712 -4.567 405 H GLY 57 HN GLY 57 -6.286 -17.518 -4.067 406 HA2 GLY 57 HA2 GLY 57 -4.101 -16.952 -3.520 407 HA3 GLY 57 HA1 GLY 57 -3.731 -16.834 -5.238 408 HA PRO 58 HA PRO 58 -3.992 -12.441 -4.382 409 HB2 PRO 58 HB2 PRO 58 -2.873 -11.590 -6.666 410 HB3 PRO 58 HB1 PRO 58 -1.909 -12.318 -5.376 411 HG2 PRO 58 HG2 PRO 58 -2.872 -13.520 -7.934 412 HG3 PRO 58 HG1 PRO 58 -1.317 -13.731 -7.112 413 HD2 PRO 58 HD2 PRO 58 -3.428 -15.515 -6.990 414 HD3 PRO 58 HD1 PRO 58 -2.115 -15.413 -5.802 415 H GLN 59 HN GLN 59 -6.106 -11.848 -4.465 416 HA GLN 59 HA GLN 59 -7.311 -11.591 -7.140 417 HB2 GLN 59 HB2 GLN 59 -8.520 -13.158 -5.662 418 HB3 GLN 59 HB1 GLN 59 -8.712 -11.877 -4.475 419 HG2 GLN 59 HG2 GLN 59 -10.137 -10.640 -5.928 420 HG3 GLN 59 HG1 GLN 59 -9.801 -11.730 -7.271 421 HE21 GLN 59 HE21 GLN 59 -12.332 -10.971 -5.998 422 HE22 GLN 59 HE22 GLN 59 -13.082 -12.450 -5.501 423 H ALA 60 HN ALA 60 -7.485 -9.574 -7.836 424 HA ALA 60 HA ALA 60 -6.661 -7.438 -6.094 425 HB1 ALA 60 HB1 ALA 60 -6.658 -6.058 -8.072 426 HB2 ALA 60 HB2 ALA 60 -7.538 -7.292 -8.972 427 HB3 ALA 60 HB3 ALA 60 -5.889 -7.606 -8.431 428 H ALA 61 HN ALA 61 -7.938 -6.223 -4.917 429 HA ALA 61 HA ALA 61 -10.635 -5.614 -5.935 430 HB1 ALA 61 HB1 ALA 61 -11.417 -5.446 -3.628 431 HB2 ALA 61 HB2 ALA 61 -9.822 -5.915 -3.042 432 HB3 ALA 61 HB3 ALA 61 -10.796 -7.064 -3.961 433 H ASN 62 HN ASN 62 -11.313 -3.466 -5.671 434 HA ASN 62 HA ASN 62 -11.034 -1.220 -5.768 435 HB2 ASN 62 HB2 ASN 62 -9.111 -1.836 -3.527 436 HB3 ASN 62 HB1 ASN 62 -9.384 -0.194 -4.097 437 HD21 ASN 62 HD21 ASN 62 -10.681 -2.866 -2.341 438 HD22 ASN 62 HD22 ASN 62 -12.068 -2.045 -1.718 439 H VAL 63 HN VAL 63 -10.281 -1.293 -7.872 440 HA VAL 63 HA VAL 63 -7.383 -1.046 -8.253 441 HB VAL 63 HB VAL 63 -9.581 -1.273 -10.327 442 HG11 VAL 63 HG11 VAL 63 -7.749 -1.678 -11.914 443 HG12 VAL 63 HG12 VAL 63 -6.580 -1.372 -10.628 444 HG13 VAL 63 HG13 VAL 63 -7.644 -0.078 -11.177 445 HG21 VAL 63 HG21 VAL 63 -7.622 -3.345 -9.343 446 HG22 VAL 63 HG22 VAL 63 -8.748 -3.550 -10.686 447 HG23 VAL 63 HG23 VAL 63 -9.359 -3.328 -9.046 448 H GLN 64 HN GLN 64 -6.712 0.963 -7.918 449 HA GLN 64 HA GLN 64 -8.439 3.203 -8.706 450 HB2 GLN 64 HB2 GLN 64 -6.036 3.166 -6.869 451 HB3 GLN 64 HB1 GLN 64 -7.065 4.556 -7.188 452 HG2 GLN 64 HG2 GLN 64 -8.950 3.407 -6.166 453 HG3 GLN 64 HG1 GLN 64 -7.934 1.996 -5.870 454 HE21 GLN 64 HE21 GLN 64 -8.630 5.276 -4.949 455 HE22 GLN 64 HE22 GLN 64 -7.730 5.256 -3.468 456 H LYS 65 HN LYS 65 -7.406 5.090 -9.641 457 HA LYS 65 HA LYS 65 -5.520 4.406 -11.706 458 HB2 LYS 65 HB2 LYS 65 -6.768 7.037 -10.884 459 HB3 LYS 65 HB1 LYS 65 -5.692 6.854 -12.261 460 HG2 LYS 65 HG2 LYS 65 -7.254 5.398 -13.355 461 HG3 LYS 65 HG1 LYS 65 -8.299 5.393 -11.938 462 HD2 LYS 65 HD2 LYS 65 -9.252 6.872 -13.550 463 HD3 LYS 65 HD1 LYS 65 -8.605 7.848 -12.236 464 HE2 LYS 65 HE2 LYS 65 -7.084 7.314 -14.776 465 HE3 LYS 65 HE1 LYS 65 -8.180 8.679 -14.596 466 HZ1 LYS 65 HZ1 LYS 65 -5.706 8.152 -13.040 467 HZ2 LYS 65 HZ2 LYS 65 -6.817 9.370 -12.654 468 HZ3 LYS 65 HZ3 LYS 65 -5.985 9.418 -14.134 469 H ALA 66 HN ALA 66 -3.367 4.871 -11.773 470 HA ALA 66 HA ALA 66 -2.163 5.735 -9.263 471 HB1 ALA 66 HB1 ALA 66 -0.062 4.916 -10.216 472 HB2 ALA 66 HB2 ALA 66 -0.888 4.566 -11.735 473 HB3 ALA 66 HB3 ALA 66 -1.320 3.679 -10.271 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 1.776 2.566 -3.149 2 H2 MET 1 HT2 MET 1 1.535 3.133 -1.568 3 H3 MET 1 HT3 MET 1 0.207 2.699 -2.526 4 HA MET 1 HA MET 1 2.320 0.856 -1.588 5 HB2 MET 1 HB2 MET 1 0.737 -0.032 -0.033 6 HB3 MET 1 HB1 MET 1 0.759 1.708 0.200 7 HG2 MET 1 HG2 MET 1 -1.313 0.194 -1.373 8 HG3 MET 1 HG1 MET 1 -1.502 0.752 0.287 9 HE1 MET 1 HE1 MET 1 -3.812 1.859 -0.616 10 HE2 MET 1 HE2 MET 1 -3.445 1.374 -2.269 11 HE3 MET 1 HE3 MET 1 -3.873 3.049 -1.918 12 H GLU 2 HN GLU 2 2.219 -1.185 -2.371 13 HA GLU 2 HA GLU 2 1.779 -2.882 -3.793 14 HB2 GLU 2 HB2 GLU 2 -1.098 -2.069 -3.364 15 HB3 GLU 2 HB1 GLU 2 -0.529 -3.641 -3.907 16 HG2 GLU 2 HG2 GLU 2 -0.028 -2.394 -1.214 17 HG3 GLU 2 HG1 GLU 2 -1.129 -3.724 -1.569 18 H GLN 3 HN GLN 3 2.749 -1.131 -5.273 19 HA GLN 3 HA GLN 3 0.973 -0.302 -7.402 20 HB2 GLN 3 HB2 GLN 3 2.751 1.228 -6.769 21 HB3 GLN 3 HB1 GLN 3 3.964 -0.017 -7.043 22 HG2 GLN 3 HG2 GLN 3 3.299 -0.046 -9.440 23 HG3 GLN 3 HG1 GLN 3 2.234 1.318 -9.111 24 HE21 GLN 3 HE21 GLN 3 5.538 0.249 -9.352 25 HE22 GLN 3 HE22 GLN 3 6.253 1.826 -9.440 26 H GLY 4 HN GLY 4 0.532 -1.502 -9.106 27 HA2 GLY 4 HA2 GLY 4 2.564 -3.421 -10.036 28 HA3 GLY 4 HA1 GLY 4 0.894 -3.938 -9.830 29 H THR 5 HN THR 5 2.552 -3.817 -12.262 30 HA THR 5 HA THR 5 1.111 -1.806 -13.818 31 HB THR 5 HB THR 5 2.698 -2.938 -15.652 32 HG1 THR 5 HG1 THR 5 3.966 -4.325 -14.662 33 HG21 THR 5 HG21 THR 5 2.711 -0.570 -15.049 34 HG22 THR 5 HG22 THR 5 4.359 -1.190 -15.163 35 HG23 THR 5 HG23 THR 5 3.618 -0.938 -13.582 36 H VAL 6 HN VAL 6 -0.551 -2.320 -15.098 37 HA VAL 6 HA VAL 6 -1.650 -4.926 -15.174 38 HB VAL 6 HB VAL 6 -2.196 -2.638 -17.078 39 HG11 VAL 6 HG11 VAL 6 -4.393 -3.733 -17.357 40 HG12 VAL 6 HG12 VAL 6 -3.826 -5.074 -16.362 41 HG13 VAL 6 HG13 VAL 6 -3.055 -4.738 -17.912 42 HG21 VAL 6 HG21 VAL 6 -4.055 -2.062 -15.593 43 HG22 VAL 6 HG22 VAL 6 -2.507 -1.940 -14.759 44 HG23 VAL 6 HG23 VAL 6 -3.554 -3.329 -14.472 45 H LYS 7 HN LYS 7 -1.033 -6.621 -16.352 46 HA LYS 7 HA LYS 7 0.991 -6.336 -18.383 47 HB2 LYS 7 HB2 LYS 7 -0.566 -8.814 -17.623 48 HB3 LYS 7 HB1 LYS 7 0.944 -8.755 -18.518 49 HG2 LYS 7 HG2 LYS 7 2.073 -7.872 -16.525 50 HG3 LYS 7 HG1 LYS 7 0.553 -7.983 -15.635 51 HD2 LYS 7 HD2 LYS 7 1.775 -9.930 -15.078 52 HD3 LYS 7 HD1 LYS 7 0.540 -10.445 -16.227 53 HE2 LYS 7 HE2 LYS 7 2.531 -11.515 -16.901 54 HE3 LYS 7 HE1 LYS 7 2.292 -10.185 -18.032 55 HZ1 LYS 7 HZ1 LYS 7 3.846 -8.875 -16.565 56 HZ2 LYS 7 HZ2 LYS 7 4.549 -10.150 -17.435 57 HZ3 LYS 7 HZ3 LYS 7 4.219 -10.341 -15.783 58 H TRP 8 HN TRP 8 -2.224 -7.837 -18.371 59 HA TRP 8 HA TRP 8 -2.936 -6.461 -20.799 60 HB2 TRP 8 HB2 TRP 8 -3.660 -8.622 -21.918 61 HB3 TRP 8 HB1 TRP 8 -1.926 -8.338 -21.865 62 HD1 TRP 8 HD1 TRP 8 -4.624 -10.494 -20.130 63 HE1 TRP 8 HE1 TRP 8 -3.483 -12.619 -19.233 64 HE3 TRP 8 HE3 TRP 8 0.237 -9.331 -21.225 65 HZ2 TRP 8 HZ2 TRP 8 -0.865 -13.660 -19.014 66 HZ3 TRP 8 HZ3 TRP 8 1.997 -10.951 -20.645 67 HH2 TRP 8 HH2 TRP 8 1.455 -13.068 -19.564 68 H PHE 9 HN PHE 9 -5.240 -6.728 -21.292 69 HA PHE 9 HA PHE 9 -6.743 -7.447 -18.873 70 HB2 PHE 9 HB2 PHE 9 -8.178 -5.424 -19.267 71 HB3 PHE 9 HB1 PHE 9 -6.531 -5.069 -18.769 72 HD1 PHE 9 HD1 PHE 9 -4.864 -4.370 -20.558 73 HD2 PHE 9 HD2 PHE 9 -9.066 -4.518 -21.230 74 HE1 PHE 9 HE1 PHE 9 -4.605 -2.872 -22.491 75 HE2 PHE 9 HE2 PHE 9 -8.807 -3.021 -23.165 76 HZ PHE 9 HZ PHE 9 -6.578 -2.198 -23.796 77 H ASN 10 HN ASN 10 -8.055 -9.024 -19.353 78 HA ASN 10 HA ASN 10 -9.040 -9.372 -22.057 79 HB2 ASN 10 HB2 ASN 10 -9.467 -11.055 -19.573 80 HB3 ASN 10 HB1 ASN 10 -9.977 -11.494 -21.200 81 HD21 ASN 10 HD21 ASN 10 -8.144 -12.831 -19.342 82 HD22 ASN 10 HD22 ASN 10 -6.644 -13.002 -20.187 83 H ALA 11 HN ALA 11 -10.229 -7.334 -21.924 84 HA ALA 11 HA ALA 11 -12.340 -6.846 -20.136 85 HB1 ALA 11 HB1 ALA 11 -11.303 -5.117 -21.543 86 HB2 ALA 11 HB2 ALA 11 -13.059 -5.143 -21.712 87 HB3 ALA 11 HB3 ALA 11 -12.041 -5.851 -22.967 88 H GLU 12 HN GLU 12 -12.126 -8.808 -22.956 89 HA GLU 12 HA GLU 12 -14.792 -9.036 -23.732 90 HB2 GLU 12 HB2 GLU 12 -12.688 -11.208 -23.780 91 HB3 GLU 12 HB1 GLU 12 -14.120 -11.112 -24.797 92 HG2 GLU 12 HG2 GLU 12 -13.260 -9.235 -25.973 93 HG3 GLU 12 HG1 GLU 12 -11.942 -9.040 -24.819 94 H LYS 13 HN LYS 13 -12.988 -10.634 -21.176 95 HA LYS 13 HA LYS 13 -15.376 -12.182 -20.452 96 HB2 LYS 13 HB2 LYS 13 -12.478 -12.566 -19.686 97 HB3 LYS 13 HB1 LYS 13 -13.808 -13.554 -19.093 98 HG2 LYS 13 HG2 LYS 13 -13.126 -13.248 -22.007 99 HG3 LYS 13 HG1 LYS 13 -12.523 -14.553 -20.983 100 HD2 LYS 13 HD2 LYS 13 -14.687 -15.428 -20.651 101 HD3 LYS 13 HD1 LYS 13 -15.457 -13.970 -21.276 102 HE2 LYS 13 HE2 LYS 13 -15.516 -15.899 -22.845 103 HE3 LYS 13 HE1 LYS 13 -14.738 -14.462 -23.500 104 HZ1 LYS 13 HZ1 LYS 13 -12.638 -15.422 -23.314 105 HZ2 LYS 13 HZ2 LYS 13 -13.616 -16.693 -23.880 106 HZ3 LYS 13 HZ3 LYS 13 -13.165 -16.634 -22.248 107 H GLY 14 HN GLY 14 -13.385 -9.577 -19.463 108 HA2 GLY 14 HA2 GLY 14 -14.211 -7.951 -17.961 109 HA3 GLY 14 HA1 GLY 14 -15.196 -9.186 -17.200 110 H PHE 15 HN PHE 15 -11.786 -9.705 -17.839 111 HA PHE 15 HA PHE 15 -11.049 -8.876 -15.164 112 HB2 PHE 15 HB2 PHE 15 -10.171 -11.015 -14.445 113 HB3 PHE 15 HB1 PHE 15 -11.879 -11.188 -14.822 114 HD1 PHE 15 HD2 PHE 15 -8.471 -12.064 -15.809 115 HD2 PHE 15 HD1 PHE 15 -12.605 -12.528 -16.701 116 HE1 PHE 15 HE2 PHE 15 -7.938 -13.964 -17.274 117 HE2 PHE 15 HE1 PHE 15 -12.076 -14.432 -18.166 118 HZ PHE 15 HZ PHE 15 -9.742 -15.151 -18.454 119 H GLY 16 HN GLY 16 -8.753 -8.856 -14.819 120 HA2 GLY 16 HA2 GLY 16 -7.142 -9.191 -17.260 121 HA3 GLY 16 HA1 GLY 16 -7.091 -7.663 -16.390 122 H PHE 17 HN PHE 17 -4.727 -8.740 -16.641 123 HA PHE 17 HA PHE 17 -4.214 -9.956 -14.012 124 HB2 PHE 17 HB2 PHE 17 -2.946 -10.648 -16.659 125 HB3 PHE 17 HB1 PHE 17 -2.219 -11.085 -15.115 126 HD1 PHE 17 HD1 PHE 17 -3.526 -12.557 -13.539 127 HD2 PHE 17 HD2 PHE 17 -4.669 -11.939 -17.593 128 HE1 PHE 17 HE1 PHE 17 -4.920 -14.583 -13.451 129 HE2 PHE 17 HE2 PHE 17 -6.066 -13.964 -17.511 130 HZ PHE 17 HZ PHE 17 -6.193 -15.288 -15.438 131 H ILE 18 HN ILE 18 -2.884 -8.889 -12.771 132 HA ILE 18 HA ILE 18 -1.226 -6.748 -13.941 133 HB ILE 18 HB ILE 18 -2.223 -7.036 -11.096 134 HG12 ILE 18 HG12 ILE 18 -3.158 -5.143 -13.263 135 HG13 ILE 18 HG11 ILE 18 -4.031 -6.580 -12.745 136 HG21 ILE 18 HG21 ILE 18 -1.454 -4.718 -10.830 137 HG22 ILE 18 HG22 ILE 18 -0.797 -4.760 -12.467 138 HG23 ILE 18 HG23 ILE 18 -0.130 -5.815 -11.220 139 HD11 ILE 18 HD11 ILE 18 -3.389 -4.204 -11.016 140 HD12 ILE 18 HD12 ILE 18 -4.299 -5.634 -10.525 141 HD13 ILE 18 HD13 ILE 18 -4.950 -4.553 -11.758 142 H GLU 19 HN GLU 19 0.984 -6.655 -13.399 143 HA GLU 19 HA GLU 19 2.008 -9.064 -12.094 144 HB2 GLU 19 HB2 GLU 19 4.255 -8.226 -12.947 145 HB3 GLU 19 HB1 GLU 19 3.095 -8.760 -14.153 146 HG2 GLU 19 HG2 GLU 19 2.488 -6.400 -14.552 147 HG3 GLU 19 HG1 GLU 19 3.756 -5.923 -13.423 148 H ARG 20 HN ARG 20 2.238 -8.966 -10.032 149 HA ARG 20 HA ARG 20 2.746 -6.420 -8.670 150 HB2 ARG 20 HB2 ARG 20 0.816 -7.803 -7.977 151 HB3 ARG 20 HB1 ARG 20 1.901 -9.135 -7.620 152 HG2 ARG 20 HG2 ARG 20 2.973 -7.695 -5.887 153 HG3 ARG 20 HG1 ARG 20 1.703 -6.504 -6.176 154 HD2 ARG 20 HD2 ARG 20 0.011 -8.175 -5.589 155 HD3 ARG 20 HD1 ARG 20 1.281 -9.362 -5.301 156 HE ARG 20 HE ARG 20 1.449 -6.916 -3.740 157 HH11 ARG 20 HH11 ARG 20 0.450 -10.272 -3.874 158 HH12 ARG 20 HH12 ARG 20 0.255 -10.421 -2.153 159 HH21 ARG 20 HH21 ARG 20 1.170 -7.092 -1.488 160 HH22 ARG 20 HH22 ARG 20 0.707 -8.622 -0.797 161 H GLU 21 HN GLU 21 4.289 -6.437 -6.842 162 HA GLU 21 HA GLU 21 6.846 -7.275 -7.418 163 HB2 GLU 21 HB2 GLU 21 5.678 -6.969 -4.645 164 HB3 GLU 21 HB1 GLU 21 7.376 -6.852 -5.079 165 HG2 GLU 21 HG2 GLU 21 5.227 -4.976 -6.036 166 HG3 GLU 21 HG1 GLU 21 6.300 -4.669 -4.674 167 H ASN 22 HN ASN 22 4.345 -8.971 -5.589 168 HA ASN 22 HA ASN 22 6.154 -11.271 -5.286 169 HB2 ASN 22 HB2 ASN 22 3.685 -10.594 -3.678 170 HB3 ASN 22 HB1 ASN 22 4.779 -11.940 -3.380 171 HD21 ASN 22 HD21 ASN 22 6.839 -11.525 -2.537 172 HD22 ASN 22 HD22 ASN 22 7.217 -10.015 -1.772 173 H GLY 23 HN GLY 23 4.424 -10.641 -7.663 174 HA2 GLY 23 HA2 GLY 23 3.538 -13.252 -8.187 175 HA3 GLY 23 HA1 GLY 23 2.153 -12.315 -7.649 176 H ASP 24 HN ASP 24 3.893 -13.287 -10.292 177 HA ASP 24 HA ASP 24 3.736 -10.917 -11.906 178 HB2 ASP 24 HB2 ASP 24 5.495 -12.548 -12.293 179 HB3 ASP 24 HB1 ASP 24 4.311 -13.807 -12.608 180 H ASP 25 HN ASP 25 1.313 -12.598 -10.720 181 HA ASP 25 HA ASP 25 -0.430 -11.964 -12.924 182 HB2 ASP 25 HB2 ASP 25 -1.468 -14.201 -13.097 183 HB3 ASP 25 HB1 ASP 25 0.203 -14.188 -13.635 184 H VAL 26 HN VAL 26 -1.389 -10.540 -11.598 185 HA VAL 26 HA VAL 26 -2.859 -11.583 -9.284 186 HB VAL 26 HB VAL 26 -2.381 -8.726 -10.173 187 HG11 VAL 26 HG11 VAL 26 -3.354 -8.102 -7.999 188 HG12 VAL 26 HG12 VAL 26 -3.776 -9.790 -7.718 189 HG13 VAL 26 HG13 VAL 26 -4.520 -8.905 -9.049 190 HG21 VAL 26 HG21 VAL 26 -0.968 -8.578 -8.180 191 HG22 VAL 26 HG22 VAL 26 -0.371 -9.792 -9.312 192 HG23 VAL 26 HG23 VAL 26 -1.241 -10.291 -7.861 193 H PHE 27 HN PHE 27 -4.913 -12.091 -9.539 194 HA PHE 27 HA PHE 27 -6.281 -11.558 -12.012 195 HB2 PHE 27 HB2 PHE 27 -6.490 -13.722 -10.845 196 HB3 PHE 27 HB1 PHE 27 -7.239 -12.909 -9.476 197 HD1 PHE 27 HD2 PHE 27 -7.684 -13.872 -13.001 198 HD2 PHE 27 HD1 PHE 27 -9.542 -12.308 -9.504 199 HE1 PHE 27 HE2 PHE 27 -9.892 -14.179 -14.040 200 HE2 PHE 27 HE1 PHE 27 -11.754 -12.619 -10.536 201 HZ PHE 27 HZ PHE 27 -11.931 -13.555 -12.808 202 H VAL 28 HN VAL 28 -7.438 -9.771 -12.403 203 HA VAL 28 HA VAL 28 -8.775 -8.493 -10.115 204 HB VAL 28 HB VAL 28 -6.823 -7.142 -10.694 205 HG11 VAL 28 HG11 VAL 28 -6.678 -6.004 -12.869 206 HG12 VAL 28 HG12 VAL 28 -8.049 -6.954 -13.441 207 HG13 VAL 28 HG13 VAL 28 -6.540 -7.755 -13.010 208 HG21 VAL 28 HG21 VAL 28 -7.949 -4.996 -11.027 209 HG22 VAL 28 HG22 VAL 28 -8.818 -6.013 -9.877 210 HG23 VAL 28 HG23 VAL 28 -9.414 -5.841 -11.529 211 H HIS 29 HN HIS 29 -10.854 -7.944 -10.393 212 HA HIS 29 HA HIS 29 -12.080 -8.434 -13.009 213 HB2 HIS 29 HB2 HIS 29 -13.005 -8.578 -10.219 214 HB3 HIS 29 HB1 HIS 29 -14.156 -7.820 -11.314 215 HD1 HIS 29 HD1 HIS 29 -14.229 -9.454 -13.730 216 HD2 HIS 29 HD2 HIS 29 -13.639 -11.189 -9.997 217 HE1 HIS 29 HE1 HIS 29 -14.928 -11.853 -13.982 218 HE2 HIS 29 HE2 HIS 29 -14.830 -12.790 -11.650 219 H PHE 30 HN PHE 30 -13.222 -6.863 -14.112 220 HA PHE 30 HA PHE 30 -12.339 -4.207 -13.855 221 HB2 PHE 30 HB2 PHE 30 -14.520 -5.511 -15.456 222 HB3 PHE 30 HB1 PHE 30 -14.330 -3.761 -15.461 223 HD1 PHE 30 HD1 PHE 30 -12.248 -6.833 -15.889 224 HD2 PHE 30 HD2 PHE 30 -13.039 -2.833 -17.100 225 HE1 PHE 30 HE1 PHE 30 -10.519 -7.024 -17.627 226 HE2 PHE 30 HE2 PHE 30 -11.310 -3.014 -18.838 227 HZ PHE 30 HZ PHE 30 -10.046 -5.111 -19.105 228 H SER 31 HN SER 31 -15.103 -5.875 -12.550 229 HA SER 31 HA SER 31 -16.507 -3.524 -11.725 230 HB2 SER 31 HB2 SER 31 -17.562 -5.773 -12.103 231 HB3 SER 31 HB1 SER 31 -16.766 -6.339 -10.635 232 HG SER 31 HG SER 31 -18.208 -3.989 -10.357 233 H ALA 32 HN ALA 32 -13.721 -5.062 -10.597 234 HA ALA 32 HA ALA 32 -14.049 -4.084 -7.854 235 HB1 ALA 32 HB1 ALA 32 -11.861 -5.779 -9.059 236 HB2 ALA 32 HB2 ALA 32 -13.230 -6.372 -8.118 237 HB3 ALA 32 HB3 ALA 32 -12.012 -5.348 -7.355 238 H ILE 33 HN ILE 33 -12.412 -3.436 -10.823 239 HA ILE 33 HA ILE 33 -10.414 -1.671 -9.837 240 HB ILE 33 HB ILE 33 -11.707 -1.576 -12.576 241 HG12 ILE 33 HG12 ILE 33 -9.356 -3.251 -11.676 242 HG13 ILE 33 HG11 ILE 33 -10.971 -3.876 -11.987 243 HG21 ILE 33 HG21 ILE 33 -9.549 -0.702 -13.298 244 HG22 ILE 33 HG22 ILE 33 -8.940 -0.810 -11.647 245 HG23 ILE 33 HG23 ILE 33 -10.244 0.312 -12.032 246 HD11 ILE 33 HD11 ILE 33 -9.472 -4.299 -13.854 247 HD12 ILE 33 HD12 ILE 33 -9.173 -2.569 -14.017 248 HD13 ILE 33 HD13 ILE 33 -10.784 -3.219 -14.326 249 H GLN 34 HN GLN 34 -10.425 0.726 -10.264 250 HA GLN 34 HA GLN 34 -12.730 1.946 -9.121 251 HB2 GLN 34 HB2 GLN 34 -11.515 4.010 -9.266 252 HB3 GLN 34 HB1 GLN 34 -10.368 2.753 -8.819 253 HG2 GLN 34 HG2 GLN 34 -9.491 2.661 -11.037 254 HG3 GLN 34 HG1 GLN 34 -10.766 3.715 -11.642 255 HE21 GLN 34 HE21 GLN 34 -7.937 4.078 -11.877 256 HE22 GLN 34 HE22 GLN 34 -7.565 5.575 -11.094 257 H GLY 35 HN GLY 35 -12.699 0.691 -11.970 258 HA2 GLY 35 HA2 GLY 35 -13.118 2.791 -13.822 259 HA3 GLY 35 HA1 GLY 35 -13.569 1.107 -14.055 260 H ASP 36 HN ASP 36 -14.713 4.202 -13.736 261 HA ASP 36 HA ASP 36 -17.185 3.836 -12.444 262 HB2 ASP 36 HB2 ASP 36 -16.281 6.063 -12.987 263 HB3 ASP 36 HB1 ASP 36 -16.469 5.726 -14.705 264 H GLY 37 HN GLY 37 -18.731 2.451 -13.004 265 HA2 GLY 37 HA2 GLY 37 -20.118 1.148 -14.325 266 HA3 GLY 37 HA1 GLY 37 -19.517 2.011 -15.739 267 H PHE 38 HN PHE 38 -17.963 1.107 -16.972 268 HA PHE 38 HA PHE 38 -16.268 -0.982 -15.869 269 HB2 PHE 38 HB2 PHE 38 -18.118 -1.406 -18.214 270 HB3 PHE 38 HB1 PHE 38 -16.636 -2.338 -18.029 271 HD1 PHE 38 HD1 PHE 38 -16.335 -3.642 -15.855 272 HD2 PHE 38 HD2 PHE 38 -20.070 -2.059 -17.136 273 HE1 PHE 38 HE1 PHE 38 -17.504 -5.214 -14.368 274 HE2 PHE 38 HE2 PHE 38 -21.248 -3.632 -15.656 275 HZ PHE 38 HZ PHE 38 -19.964 -5.211 -14.268 276 H LYS 39 HN LYS 39 -14.412 0.107 -16.124 277 HA LYS 39 HA LYS 39 -13.768 1.115 -18.816 278 HB2 LYS 39 HB2 LYS 39 -12.964 2.369 -16.181 279 HB3 LYS 39 HB1 LYS 39 -12.510 2.952 -17.777 280 HG2 LYS 39 HG2 LYS 39 -14.887 3.361 -18.275 281 HG3 LYS 39 HG1 LYS 39 -15.297 2.839 -16.642 282 HD2 LYS 39 HD2 LYS 39 -15.234 5.243 -16.716 283 HD3 LYS 39 HD1 LYS 39 -13.880 4.661 -15.749 284 HE2 LYS 39 HE2 LYS 39 -12.365 4.997 -17.603 285 HE3 LYS 39 HE1 LYS 39 -13.707 5.457 -18.653 286 HZ1 LYS 39 HZ1 LYS 39 -12.790 6.941 -16.245 287 HZ2 LYS 39 HZ2 LYS 39 -14.113 7.371 -17.219 288 HZ3 LYS 39 HZ3 LYS 39 -12.543 7.401 -17.861 289 H SER 40 HN SER 40 -11.809 0.559 -19.611 290 HA SER 40 HA SER 40 -10.372 -1.474 -18.109 291 HB2 SER 40 HB2 SER 40 -9.226 -1.805 -20.362 292 HB3 SER 40 HB1 SER 40 -10.955 -2.147 -20.309 293 HG SER 40 HG SER 40 -10.614 -0.893 -22.094 294 H LEU 41 HN LEU 41 -8.153 -1.448 -17.748 295 HA LEU 41 HA LEU 41 -6.870 1.183 -17.950 296 HB2 LEU 41 HB2 LEU 41 -6.423 -1.176 -16.149 297 HB3 LEU 41 HB1 LEU 41 -5.134 -0.021 -16.416 298 HG LEU 41 HG LEU 41 -6.293 0.497 -14.355 299 HD11 LEU 41 HD11 LEU 41 -5.415 2.370 -15.594 300 HD12 LEU 41 HD12 LEU 41 -6.931 2.830 -14.819 301 HD13 LEU 41 HD13 LEU 41 -6.895 2.473 -16.546 302 HD21 LEU 41 HD21 LEU 41 -8.639 1.154 -14.319 303 HD22 LEU 41 HD22 LEU 41 -8.457 -0.509 -14.880 304 HD23 LEU 41 HD23 LEU 41 -8.780 0.782 -16.037 305 H ASP 42 HN ASP 42 -4.822 1.374 -18.864 306 HA ASP 42 HA ASP 42 -4.477 -0.333 -21.136 307 HB2 ASP 42 HB2 ASP 42 -2.816 1.994 -20.148 308 HB3 ASP 42 HB1 ASP 42 -2.638 1.215 -21.716 309 H GLU 43 HN GLU 43 -2.525 -1.412 -21.719 310 HA GLU 43 HA GLU 43 -1.312 -2.874 -19.621 311 HB2 GLU 43 HB2 GLU 43 0.226 -3.692 -21.425 312 HB3 GLU 43 HB1 GLU 43 -1.483 -3.916 -21.765 313 HG2 GLU 43 HG2 GLU 43 -1.511 -2.142 -23.317 314 HG3 GLU 43 HG1 GLU 43 0.082 -1.579 -22.812 315 H GLY 44 HN GLY 44 0.542 -2.547 -18.529 316 HA2 GLY 44 HA2 GLY 44 2.593 -1.567 -18.001 317 HA3 GLY 44 HA1 GLY 44 2.422 -0.507 -19.394 318 H GLN 45 HN GLN 45 -0.462 -0.345 -17.861 319 HA GLN 45 HA GLN 45 0.086 2.216 -16.704 320 HB2 GLN 45 HB2 GLN 45 -2.089 1.622 -17.765 321 HB3 GLN 45 HB1 GLN 45 -2.391 0.495 -16.453 322 HG2 GLN 45 HG2 GLN 45 -3.628 2.434 -15.969 323 HG3 GLN 45 HG1 GLN 45 -2.244 2.449 -14.879 324 HE21 GLN 45 HE21 GLN 45 -0.638 3.994 -15.166 325 HE22 GLN 45 HE22 GLN 45 -0.869 5.392 -16.160 326 H ALA 46 HN ALA 46 1.073 2.458 -14.826 327 HA ALA 46 HA ALA 46 1.195 0.393 -12.846 328 HB1 ALA 46 HB1 ALA 46 2.449 2.016 -11.521 329 HB2 ALA 46 HB2 ALA 46 2.007 3.294 -12.655 330 HB3 ALA 46 HB3 ALA 46 3.045 1.969 -13.182 331 H VAL 47 HN VAL 47 -0.395 -0.086 -11.517 332 HA VAL 47 HA VAL 47 -2.152 2.085 -10.589 333 HB VAL 47 HB VAL 47 -3.981 0.427 -10.416 334 HG11 VAL 47 HG11 VAL 47 -4.456 0.247 -12.824 335 HG12 VAL 47 HG12 VAL 47 -2.790 0.709 -13.171 336 HG13 VAL 47 HG13 VAL 47 -3.873 1.850 -12.374 337 HG21 VAL 47 HG21 VAL 47 -2.100 -1.404 -11.903 338 HG22 VAL 47 HG22 VAL 47 -3.791 -1.736 -11.527 339 HG23 VAL 47 HG23 VAL 47 -2.609 -1.594 -10.226 340 H THR 48 HN THR 48 -2.860 1.995 -8.468 341 HA THR 48 HA THR 48 -1.374 0.171 -6.707 342 HB THR 48 HB THR 48 -1.799 1.797 -4.913 343 HG1 THR 48 HG1 THR 48 -3.627 2.724 -6.700 344 HG21 THR 48 HG21 THR 48 0.173 2.077 -6.464 345 HG22 THR 48 HG22 THR 48 -0.345 3.549 -5.648 346 HG23 THR 48 HG23 THR 48 -0.776 3.279 -7.335 347 H PHE 49 HN PHE 49 -2.517 -1.442 -5.825 348 HA PHE 49 HA PHE 49 -5.448 -1.156 -5.760 349 HB2 PHE 49 HB2 PHE 49 -5.549 -3.587 -6.466 350 HB3 PHE 49 HB1 PHE 49 -5.038 -2.450 -7.708 351 HD1 PHE 49 HD1 PHE 49 -3.957 -5.133 -5.458 352 HD2 PHE 49 HD2 PHE 49 -2.816 -2.508 -8.603 353 HE1 PHE 49 HE1 PHE 49 -1.937 -6.483 -5.845 354 HE2 PHE 49 HE2 PHE 49 -0.791 -3.847 -8.992 355 HZ PHE 49 HZ PHE 49 -0.349 -5.838 -7.614 356 H ASP 50 HN ASP 50 -6.563 -2.328 -4.202 357 HA ASP 50 HA ASP 50 -5.014 -3.080 -1.869 358 HB2 ASP 50 HB2 ASP 50 -7.221 -1.871 -1.720 359 HB3 ASP 50 HB1 ASP 50 -8.003 -3.341 -2.292 360 H VAL 51 HN VAL 51 -4.279 -5.050 -1.503 361 HA VAL 51 HA VAL 51 -4.862 -7.128 -3.420 362 HB VAL 51 HB VAL 51 -2.967 -7.181 -1.066 363 HG11 VAL 51 HG11 VAL 51 -3.587 -9.413 -1.824 364 HG12 VAL 51 HG12 VAL 51 -1.911 -9.057 -2.240 365 HG13 VAL 51 HG13 VAL 51 -3.163 -8.982 -3.479 366 HG21 VAL 51 HG21 VAL 51 -1.210 -6.728 -2.716 367 HG22 VAL 51 HG22 VAL 51 -2.383 -5.413 -2.638 368 HG23 VAL 51 HG23 VAL 51 -2.437 -6.567 -3.971 369 H GLU 52 HN GLU 52 -6.522 -8.443 -3.146 370 HA GLU 52 HA GLU 52 -7.159 -9.352 -0.423 371 HB2 GLU 52 HB2 GLU 52 -9.008 -8.266 -1.687 372 HB3 GLU 52 HB1 GLU 52 -8.867 -9.517 -2.915 373 HG2 GLU 52 HG2 GLU 52 -9.481 -11.210 -1.289 374 HG3 GLU 52 HG1 GLU 52 -9.572 -9.981 -0.027 375 H GLU 53 HN GLU 53 -5.990 -11.133 -0.036 376 HA GLU 53 HA GLU 53 -5.520 -13.021 -2.197 377 HB2 GLU 53 HB2 GLU 53 -4.121 -14.183 -0.380 378 HB3 GLU 53 HB1 GLU 53 -3.545 -12.651 -1.018 379 HG2 GLU 53 HG2 GLU 53 -4.473 -11.504 0.946 380 HG3 GLU 53 HG1 GLU 53 -4.996 -13.062 1.585 381 H GLY 54 HN GLY 54 -7.063 -14.403 -2.589 382 HA2 GLY 54 HA2 GLY 54 -8.476 -15.621 -0.295 383 HA3 GLY 54 HA1 GLY 54 -9.254 -15.272 -1.834 384 H GLN 55 HN GLN 55 -9.779 -17.646 -1.489 385 HA GLN 55 HA GLN 55 -7.629 -19.512 -1.888 386 HB2 GLN 55 HB2 GLN 55 -10.610 -19.992 -1.966 387 HB3 GLN 55 HB1 GLN 55 -9.360 -21.225 -1.854 388 HG2 GLN 55 HG2 GLN 55 -10.019 -19.131 0.207 389 HG3 GLN 55 HG1 GLN 55 -10.324 -20.865 0.317 390 HE21 GLN 55 HE21 GLN 55 -8.631 -22.255 0.745 391 HE22 GLN 55 HE22 GLN 55 -7.090 -21.701 1.307 392 H ARG 56 HN ARG 56 -6.819 -18.612 -3.798 393 HA ARG 56 HA ARG 56 -7.245 -19.951 -6.132 394 HB2 ARG 56 HB2 ARG 56 -8.304 -18.227 -7.608 395 HB3 ARG 56 HB1 ARG 56 -9.414 -18.970 -6.470 396 HG2 ARG 56 HG2 ARG 56 -9.464 -17.031 -5.113 397 HG3 ARG 56 HG1 ARG 56 -8.100 -16.312 -5.969 398 HD2 ARG 56 HD2 ARG 56 -10.456 -15.454 -6.525 399 HD3 ARG 56 HD1 ARG 56 -9.380 -15.846 -7.865 400 HE ARG 56 HE ARG 56 -10.631 -17.849 -8.237 401 HH11 ARG 56 HH11 ARG 56 -12.068 -15.651 -5.909 402 HH12 ARG 56 HH12 ARG 56 -13.662 -16.323 -6.069 403 HH21 ARG 56 HH21 ARG 56 -12.717 -18.718 -8.466 404 HH22 ARG 56 HH22 ARG 56 -14.038 -18.076 -7.535 405 H GLY 57 HN GLY 57 -6.328 -17.078 -4.471 406 HA2 GLY 57 HA2 GLY 57 -3.790 -16.790 -4.846 407 HA3 GLY 57 HA1 GLY 57 -4.306 -16.424 -6.491 408 HA PRO 58 HA PRO 58 -4.569 -12.490 -4.057 409 HB2 PRO 58 HB2 PRO 58 -2.801 -11.027 -5.473 410 HB3 PRO 58 HB1 PRO 58 -2.300 -12.077 -4.143 411 HG2 PRO 58 HG2 PRO 58 -2.136 -12.533 -7.087 412 HG3 PRO 58 HG1 PRO 58 -0.981 -12.973 -5.817 413 HD2 PRO 58 HD2 PRO 58 -2.788 -14.716 -6.974 414 HD3 PRO 58 HD1 PRO 58 -2.045 -14.941 -5.380 415 H GLN 59 HN GLN 59 -6.533 -11.800 -4.706 416 HA GLN 59 HA GLN 59 -6.812 -10.947 -7.494 417 HB2 GLN 59 HB2 GLN 59 -9.280 -10.856 -6.977 418 HB3 GLN 59 HB1 GLN 59 -8.561 -12.458 -6.970 419 HG2 GLN 59 HG2 GLN 59 -8.439 -12.311 -4.487 420 HG3 GLN 59 HG1 GLN 59 -9.324 -10.791 -4.586 421 HE21 GLN 59 HE21 GLN 59 -11.483 -10.810 -5.166 422 HE22 GLN 59 HE22 GLN 59 -12.433 -12.252 -5.145 423 H ALA 60 HN ALA 60 -7.252 -8.881 -8.018 424 HA ALA 60 HA ALA 60 -6.550 -6.969 -5.941 425 HB1 ALA 60 HB1 ALA 60 -5.323 -6.927 -8.055 426 HB2 ALA 60 HB2 ALA 60 -6.171 -5.407 -7.764 427 HB3 ALA 60 HB3 ALA 60 -6.821 -6.574 -8.916 428 H ALA 61 HN ALA 61 -7.975 -5.810 -4.923 429 HA ALA 61 HA ALA 61 -10.481 -5.069 -6.284 430 HB1 ALA 61 HB1 ALA 61 -10.949 -6.684 -4.504 431 HB2 ALA 61 HB2 ALA 61 -11.584 -5.092 -4.087 432 HB3 ALA 61 HB3 ALA 61 -10.089 -5.666 -3.349 433 H ASN 62 HN ASN 62 -11.245 -2.932 -5.791 434 HA ASN 62 HA ASN 62 -10.913 -0.684 -5.636 435 HB2 ASN 62 HB2 ASN 62 -9.099 -1.375 -3.305 436 HB3 ASN 62 HB1 ASN 62 -9.846 0.186 -3.622 437 HD21 ASN 62 HD21 ASN 62 -10.260 -2.982 -2.358 438 HD22 ASN 62 HD22 ASN 62 -11.844 -2.751 -1.703 439 H VAL 63 HN VAL 63 -9.780 -0.920 -7.677 440 HA VAL 63 HA VAL 63 -6.853 -0.752 -7.479 441 HB VAL 63 HB VAL 63 -8.522 -1.352 -9.927 442 HG11 VAL 63 HG11 VAL 63 -5.560 -1.644 -9.452 443 HG12 VAL 63 HG12 VAL 63 -6.329 -0.392 -10.425 444 HG13 VAL 63 HG13 VAL 63 -6.423 -2.080 -10.928 445 HG21 VAL 63 HG21 VAL 63 -7.037 -3.244 -8.109 446 HG22 VAL 63 HG22 VAL 63 -7.805 -3.680 -9.634 447 HG23 VAL 63 HG23 VAL 63 -8.788 -3.118 -8.283 448 H GLN 64 HN GLN 64 -6.311 1.340 -7.285 449 HA GLN 64 HA GLN 64 -7.521 3.267 -9.168 450 HB2 GLN 64 HB2 GLN 64 -6.109 3.820 -6.549 451 HB3 GLN 64 HB1 GLN 64 -6.868 5.018 -7.586 452 HG2 GLN 64 HG2 GLN 64 -9.042 4.066 -7.159 453 HG3 GLN 64 HG1 GLN 64 -8.314 2.766 -6.218 454 HE21 GLN 64 HE21 GLN 64 -7.250 6.097 -6.098 455 HE22 GLN 64 HE22 GLN 64 -7.771 6.400 -4.476 456 H LYS 65 HN LYS 65 -6.203 4.193 -10.657 457 HA LYS 65 HA LYS 65 -3.615 3.174 -11.103 458 HB2 LYS 65 HB2 LYS 65 -3.471 4.677 -12.945 459 HB3 LYS 65 HB1 LYS 65 -5.157 4.186 -12.840 460 HG2 LYS 65 HG2 LYS 65 -5.762 6.270 -11.820 461 HG3 LYS 65 HG1 LYS 65 -4.071 6.754 -11.703 462 HD2 LYS 65 HD2 LYS 65 -3.983 6.587 -14.224 463 HD3 LYS 65 HD1 LYS 65 -5.740 6.424 -14.188 464 HE2 LYS 65 HE2 LYS 65 -5.215 8.725 -14.583 465 HE3 LYS 65 HE1 LYS 65 -5.849 8.578 -12.944 466 HZ1 LYS 65 HZ1 LYS 65 -2.980 8.796 -13.692 467 HZ2 LYS 65 HZ2 LYS 65 -3.567 8.620 -12.111 468 HZ3 LYS 65 HZ3 LYS 65 -3.925 10.021 -12.992 469 H ALA 66 HN ALA 66 -1.564 4.242 -10.977 470 HA ALA 66 HA ALA 66 -1.398 6.120 -8.764 471 HB1 ALA 66 HB1 ALA 66 0.777 4.765 -10.362 472 HB2 ALA 66 HB2 ALA 66 0.151 4.234 -8.797 473 HB3 ALA 66 HB3 ALA 66 1.026 5.763 -8.930 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -1.469 0.937 -2.044 2 H2 MET 1 HT2 MET 1 -0.220 2.017 -2.434 3 H3 MET 1 HT3 MET 1 -0.892 2.024 -0.877 4 HA MET 1 HA MET 1 1.247 0.941 -0.870 5 HB2 MET 1 HB2 MET 1 -0.595 0.210 0.649 6 HB3 MET 1 HB1 MET 1 -1.007 -1.040 -0.514 7 HG2 MET 1 HG2 MET 1 0.300 -1.982 1.264 8 HG3 MET 1 HG1 MET 1 1.232 -2.012 -0.233 9 HE1 MET 1 HE1 MET 1 3.425 -2.488 1.226 10 HE2 MET 1 HE2 MET 1 2.470 -2.409 2.707 11 HE3 MET 1 HE3 MET 1 3.950 -1.459 2.560 12 H GLU 2 HN GLU 2 -1.081 -1.087 -2.687 13 HA GLU 2 HA GLU 2 1.079 -2.571 -3.898 14 HB2 GLU 2 HB2 GLU 2 -1.897 -2.726 -3.923 15 HB3 GLU 2 HB1 GLU 2 -1.020 -3.482 -5.243 16 HG2 GLU 2 HG2 GLU 2 -1.615 -4.991 -3.347 17 HG3 GLU 2 HG1 GLU 2 0.092 -4.965 -3.779 18 H GLN 3 HN GLN 3 2.239 -1.431 -5.306 19 HA GLN 3 HA GLN 3 0.827 -0.005 -7.452 20 HB2 GLN 3 HB2 GLN 3 3.721 0.204 -6.586 21 HB3 GLN 3 HB1 GLN 3 2.949 1.172 -7.839 22 HG2 GLN 3 HG2 GLN 3 1.507 2.209 -6.225 23 HG3 GLN 3 HG1 GLN 3 2.113 1.156 -4.947 24 HE21 GLN 3 HE21 GLN 3 2.770 3.915 -6.942 25 HE22 GLN 3 HE22 GLN 3 4.144 4.477 -6.055 26 H GLY 4 HN GLY 4 0.723 -0.983 -9.371 27 HA2 GLY 4 HA2 GLY 4 2.874 -2.816 -10.155 28 HA3 GLY 4 HA1 GLY 4 1.241 -3.457 -10.067 29 H THR 5 HN THR 5 1.654 -3.929 -12.359 30 HA THR 5 HA THR 5 0.827 -1.650 -14.006 31 HB THR 5 HB THR 5 3.081 -3.530 -14.760 32 HG1 THR 5 HG1 THR 5 3.050 -1.249 -13.309 33 HG21 THR 5 HG21 THR 5 1.827 -2.781 -16.707 34 HG22 THR 5 HG22 THR 5 3.397 -1.985 -16.658 35 HG23 THR 5 HG23 THR 5 1.950 -1.104 -16.170 36 H VAL 6 HN VAL 6 -0.694 -2.168 -15.501 37 HA VAL 6 HA VAL 6 -1.942 -4.722 -15.362 38 HB VAL 6 HB VAL 6 -2.356 -2.551 -17.433 39 HG11 VAL 6 HG11 VAL 6 -4.137 -4.832 -16.574 40 HG12 VAL 6 HG12 VAL 6 -3.286 -4.695 -18.114 41 HG13 VAL 6 HG13 VAL 6 -4.575 -3.559 -17.712 42 HG21 VAL 6 HG21 VAL 6 -4.233 -1.831 -16.009 43 HG22 VAL 6 HG22 VAL 6 -2.675 -1.659 -15.200 44 HG23 VAL 6 HG23 VAL 6 -3.739 -3.005 -14.788 45 H LYS 7 HN LYS 7 -1.742 -6.481 -16.644 46 HA LYS 7 HA LYS 7 0.193 -6.317 -18.849 47 HB2 LYS 7 HB2 LYS 7 -0.678 -8.635 -17.129 48 HB3 LYS 7 HB1 LYS 7 0.275 -8.838 -18.591 49 HG2 LYS 7 HG2 LYS 7 1.260 -6.950 -16.519 50 HG3 LYS 7 HG1 LYS 7 1.389 -8.679 -16.208 51 HD2 LYS 7 HD2 LYS 7 3.435 -7.895 -17.207 52 HD3 LYS 7 HD1 LYS 7 2.595 -8.941 -18.349 53 HE2 LYS 7 HE2 LYS 7 3.531 -6.979 -19.458 54 HE3 LYS 7 HE1 LYS 7 1.772 -6.986 -19.549 55 HZ1 LYS 7 HZ1 LYS 7 1.625 -5.296 -17.956 56 HZ2 LYS 7 HZ2 LYS 7 2.887 -4.806 -18.975 57 HZ3 LYS 7 HZ3 LYS 7 3.235 -5.485 -17.455 58 H TRP 8 HN TRP 8 -2.515 -8.482 -18.072 59 HA TRP 8 HA TRP 8 -3.522 -8.048 -20.801 60 HB2 TRP 8 HB2 TRP 8 -3.548 -10.723 -19.388 61 HB3 TRP 8 HB1 TRP 8 -3.929 -10.392 -21.076 62 HD1 TRP 8 HD1 TRP 8 -1.151 -11.498 -18.903 63 HE1 TRP 8 HE1 TRP 8 1.076 -11.527 -20.198 64 HE3 TRP 8 HE3 TRP 8 -2.606 -8.897 -23.063 65 HZ2 TRP 8 HZ2 TRP 8 2.074 -10.573 -22.667 66 HZ3 TRP 8 HZ3 TRP 8 -0.953 -8.499 -24.842 67 HH2 TRP 8 HH2 TRP 8 1.338 -9.319 -24.648 68 H PHE 9 HN PHE 9 -5.603 -7.467 -20.847 69 HA PHE 9 HA PHE 9 -7.216 -8.023 -18.458 70 HB2 PHE 9 HB2 PHE 9 -8.539 -6.013 -19.025 71 HB3 PHE 9 HB1 PHE 9 -6.854 -5.642 -18.715 72 HD1 PHE 9 HD1 PHE 9 -5.341 -5.585 -20.919 73 HD2 PHE 9 HD2 PHE 9 -9.559 -5.012 -20.812 74 HE1 PHE 9 HE1 PHE 9 -5.227 -4.359 -23.050 75 HE2 PHE 9 HE2 PHE 9 -9.451 -3.797 -22.948 76 HZ PHE 9 HZ PHE 9 -7.285 -3.467 -24.069 77 H ASN 10 HN ASN 10 -8.137 -9.931 -19.015 78 HA ASN 10 HA ASN 10 -9.480 -10.137 -21.602 79 HB2 ASN 10 HB2 ASN 10 -8.017 -11.998 -20.693 80 HB3 ASN 10 HB1 ASN 10 -9.250 -12.267 -19.467 81 HD21 ASN 10 HD21 ASN 10 -10.075 -11.310 -22.715 82 HD22 ASN 10 HD22 ASN 10 -10.746 -12.828 -23.196 83 H ALA 11 HN ALA 11 -10.770 -8.309 -20.570 84 HA ALA 11 HA ALA 11 -12.528 -8.842 -18.410 85 HB1 ALA 11 HB1 ALA 11 -12.678 -6.651 -20.471 86 HB2 ALA 11 HB2 ALA 11 -11.746 -6.594 -18.975 87 HB3 ALA 11 HB3 ALA 11 -13.506 -6.682 -18.915 88 H GLU 12 HN GLU 12 -12.707 -9.633 -21.731 89 HA GLU 12 HA GLU 12 -15.560 -9.637 -21.917 90 HB2 GLU 12 HB2 GLU 12 -13.535 -11.117 -23.596 91 HB3 GLU 12 HB1 GLU 12 -15.238 -10.913 -23.988 92 HG2 GLU 12 HG2 GLU 12 -14.694 -8.378 -23.782 93 HG3 GLU 12 HG1 GLU 12 -13.031 -8.913 -24.017 94 H LYS 13 HN LYS 13 -13.160 -11.890 -20.777 95 HA LYS 13 HA LYS 13 -15.228 -13.931 -20.418 96 HB2 LYS 13 HB2 LYS 13 -12.255 -14.059 -19.880 97 HB3 LYS 13 HB1 LYS 13 -13.380 -15.395 -19.676 98 HG2 LYS 13 HG2 LYS 13 -12.669 -14.018 -22.257 99 HG3 LYS 13 HG1 LYS 13 -12.184 -15.635 -21.751 100 HD2 LYS 13 HD2 LYS 13 -15.067 -14.836 -22.080 101 HD3 LYS 13 HD1 LYS 13 -14.106 -15.474 -23.410 102 HE2 LYS 13 HE2 LYS 13 -15.278 -17.316 -22.529 103 HE3 LYS 13 HE1 LYS 13 -13.630 -17.470 -21.928 104 HZ1 LYS 13 HZ1 LYS 13 -14.286 -16.764 -19.791 105 HZ2 LYS 13 HZ2 LYS 13 -15.463 -17.878 -20.281 106 HZ3 LYS 13 HZ3 LYS 13 -15.799 -16.219 -20.338 107 H GLY 14 HN GLY 14 -13.276 -11.626 -18.675 108 HA2 GLY 14 HA2 GLY 14 -14.559 -10.590 -16.857 109 HA3 GLY 14 HA1 GLY 14 -14.997 -12.211 -16.351 110 H PHE 15 HN PHE 15 -11.703 -11.577 -17.333 111 HA PHE 15 HA PHE 15 -10.860 -11.095 -14.598 112 HB2 PHE 15 HB2 PHE 15 -9.387 -13.041 -14.473 113 HB3 PHE 15 HB1 PHE 15 -11.064 -13.534 -14.647 114 HD1 PHE 15 HD1 PHE 15 -11.853 -14.565 -16.708 115 HD2 PHE 15 HD2 PHE 15 -7.771 -13.483 -16.191 116 HE1 PHE 15 HE1 PHE 15 -11.235 -15.994 -18.609 117 HE2 PHE 15 HE2 PHE 15 -7.149 -14.912 -18.092 118 HZ PHE 15 HZ PHE 15 -8.881 -16.170 -19.302 119 H GLY 16 HN GLY 16 -8.517 -10.732 -14.421 120 HA2 GLY 16 HA2 GLY 16 -7.078 -10.295 -16.907 121 HA3 GLY 16 HA1 GLY 16 -7.453 -8.852 -15.978 122 H PHE 17 HN PHE 17 -4.870 -9.318 -16.414 123 HA PHE 17 HA PHE 17 -3.898 -10.352 -13.833 124 HB2 PHE 17 HB2 PHE 17 -2.539 -10.604 -16.525 125 HB3 PHE 17 HB1 PHE 17 -1.841 -11.094 -14.987 126 HD1 PHE 17 HD1 PHE 17 -2.906 -12.964 -13.706 127 HD2 PHE 17 HD2 PHE 17 -4.012 -12.006 -17.703 128 HE1 PHE 17 HE1 PHE 17 -3.925 -15.187 -13.954 129 HE2 PHE 17 HE2 PHE 17 -5.034 -14.230 -17.954 130 HZ PHE 17 HZ PHE 17 -4.988 -15.823 -16.079 131 H ILE 18 HN ILE 18 -3.008 -8.829 -12.658 132 HA ILE 18 HA ILE 18 -1.570 -6.624 -14.006 133 HB ILE 18 HB ILE 18 -2.766 -6.601 -11.220 134 HG12 ILE 18 HG12 ILE 18 -3.737 -5.219 -13.737 135 HG13 ILE 18 HG11 ILE 18 -4.495 -6.630 -13.007 136 HG21 ILE 18 HG21 ILE 18 -0.803 -5.174 -11.459 137 HG22 ILE 18 HG22 ILE 18 -2.267 -4.204 -11.277 138 HG23 ILE 18 HG23 ILE 18 -1.527 -4.400 -12.868 139 HD11 ILE 18 HD11 ILE 18 -5.711 -4.631 -12.431 140 HD12 ILE 18 HD12 ILE 18 -4.248 -3.895 -11.775 141 HD13 ILE 18 HD13 ILE 18 -4.956 -5.306 -10.985 142 H GLU 19 HN GLU 19 0.587 -6.455 -13.580 143 HA GLU 19 HA GLU 19 1.691 -8.724 -12.151 144 HB2 GLU 19 HB2 GLU 19 3.804 -8.135 -13.192 145 HB3 GLU 19 HB1 GLU 19 2.522 -8.199 -14.393 146 HG2 GLU 19 HG2 GLU 19 2.371 -5.757 -14.346 147 HG3 GLU 19 HG1 GLU 19 3.675 -5.706 -13.160 148 H ARG 20 HN ARG 20 2.740 -8.704 -10.307 149 HA ARG 20 HA ARG 20 3.400 -6.147 -9.031 150 HB2 ARG 20 HB2 ARG 20 2.105 -7.805 -7.717 151 HB3 ARG 20 HB1 ARG 20 3.403 -8.966 -7.914 152 HG2 ARG 20 HG2 ARG 20 3.510 -8.041 -5.712 153 HG3 ARG 20 HG1 ARG 20 4.894 -7.462 -6.633 154 HD2 ARG 20 HD2 ARG 20 3.642 -5.355 -7.067 155 HD3 ARG 20 HD1 ARG 20 2.362 -5.946 -6.009 156 HE ARG 20 HE ARG 20 5.114 -5.330 -5.139 157 HH11 ARG 20 HH11 ARG 20 1.705 -5.723 -4.433 158 HH12 ARG 20 HH12 ARG 20 1.828 -5.064 -2.829 159 HH21 ARG 20 HH21 ARG 20 5.289 -4.490 -3.031 160 HH22 ARG 20 HH22 ARG 20 3.862 -4.368 -2.031 161 H GLU 21 HN GLU 21 5.598 -6.321 -7.769 162 HA GLU 21 HA GLU 21 7.538 -6.198 -9.742 163 HB2 GLU 21 HB2 GLU 21 7.872 -6.338 -6.749 164 HB3 GLU 21 HB1 GLU 21 9.126 -5.850 -7.881 165 HG2 GLU 21 HG2 GLU 21 7.769 -3.962 -8.599 166 HG3 GLU 21 HG1 GLU 21 6.482 -4.463 -7.502 167 H ASN 22 HN ASN 22 6.606 -9.004 -7.887 168 HA ASN 22 HA ASN 22 9.131 -10.355 -8.530 169 HB2 ASN 22 HB2 ASN 22 6.782 -11.601 -7.102 170 HB3 ASN 22 HB1 ASN 22 8.464 -12.111 -7.074 171 HD21 ASN 22 HD21 ASN 22 6.092 -9.980 -5.809 172 HD22 ASN 22 HD22 ASN 22 7.063 -9.294 -4.540 173 H GLY 23 HN GLY 23 6.487 -9.653 -10.203 174 HA2 GLY 23 HA2 GLY 23 5.805 -10.622 -12.241 175 HA3 GLY 23 HA1 GLY 23 6.549 -12.139 -11.746 176 H ASP 24 HN ASP 24 4.822 -10.800 -9.249 177 HA ASP 24 HA ASP 24 2.973 -12.892 -9.065 178 HB2 ASP 24 HB2 ASP 24 2.497 -10.188 -7.825 179 HB3 ASP 24 HB1 ASP 24 2.047 -11.771 -7.207 180 H ASP 25 HN ASP 25 1.775 -13.125 -10.934 181 HA ASP 25 HA ASP 25 0.224 -11.061 -12.094 182 HB2 ASP 25 HB2 ASP 25 -0.256 -14.051 -12.117 183 HB3 ASP 25 HB1 ASP 25 -1.078 -12.886 -13.149 184 H VAL 26 HN VAL 26 -0.972 -9.910 -10.676 185 HA VAL 26 HA VAL 26 -2.629 -11.176 -8.690 186 HB VAL 26 HB VAL 26 -2.696 -8.291 -9.601 187 HG11 VAL 26 HG11 VAL 26 -3.606 -9.611 -7.048 188 HG12 VAL 26 HG12 VAL 26 -4.644 -8.949 -8.312 189 HG13 VAL 26 HG13 VAL 26 -3.614 -7.876 -7.362 190 HG21 VAL 26 HG21 VAL 26 -0.440 -8.867 -8.914 191 HG22 VAL 26 HG22 VAL 26 -1.054 -9.557 -7.412 192 HG23 VAL 26 HG23 VAL 26 -1.199 -7.825 -7.711 193 H PHE 27 HN PHE 27 -4.707 -11.746 -8.881 194 HA PHE 27 HA PHE 27 -5.803 -11.786 -11.562 195 HB2 PHE 27 HB2 PHE 27 -5.701 -13.724 -9.844 196 HB3 PHE 27 HB1 PHE 27 -7.088 -12.942 -9.097 197 HD1 PHE 27 HD2 PHE 27 -5.869 -14.484 -12.227 198 HD2 PHE 27 HD1 PHE 27 -9.248 -13.254 -9.950 199 HE1 PHE 27 HE2 PHE 27 -7.347 -15.679 -13.786 200 HE2 PHE 27 HE1 PHE 27 -10.733 -14.452 -11.504 201 HZ PHE 27 HZ PHE 27 -9.783 -15.668 -13.423 202 H VAL 28 HN VAL 28 -6.913 -10.011 -12.191 203 HA VAL 28 HA VAL 28 -8.539 -8.604 -10.192 204 HB VAL 28 HB VAL 28 -6.871 -7.261 -11.455 205 HG11 VAL 28 HG11 VAL 28 -7.304 -6.691 -13.798 206 HG12 VAL 28 HG12 VAL 28 -8.605 -7.880 -13.837 207 HG13 VAL 28 HG13 VAL 28 -6.940 -8.402 -13.587 208 HG21 VAL 28 HG21 VAL 28 -9.756 -6.527 -11.922 209 HG22 VAL 28 HG22 VAL 28 -8.393 -5.418 -12.069 210 HG23 VAL 28 HG23 VAL 28 -8.780 -6.137 -10.505 211 H HIS 29 HN HIS 29 -10.681 -8.017 -10.629 212 HA HIS 29 HA HIS 29 -12.014 -9.554 -12.763 213 HB2 HIS 29 HB2 HIS 29 -12.877 -8.944 -9.941 214 HB3 HIS 29 HB1 HIS 29 -14.061 -9.321 -11.191 215 HD1 HIS 29 HD1 HIS 29 -12.758 -10.967 -8.525 216 HD2 HIS 29 HD2 HIS 29 -12.778 -11.902 -12.577 217 HE1 HIS 29 HE1 HIS 29 -12.485 -13.464 -8.645 218 HE2 HIS 29 HE2 HIS 29 -12.702 -14.017 -11.093 219 H PHE 30 HN PHE 30 -13.776 -8.477 -13.847 220 HA PHE 30 HA PHE 30 -13.240 -5.708 -14.234 221 HB2 PHE 30 HB2 PHE 30 -15.033 -5.720 -15.865 222 HB3 PHE 30 HB1 PHE 30 -14.059 -7.169 -16.060 223 HD1 PHE 30 HD2 PHE 30 -17.306 -5.845 -14.993 224 HD2 PHE 30 HD1 PHE 30 -14.978 -9.344 -15.647 225 HE1 PHE 30 HE2 PHE 30 -19.343 -7.217 -14.878 226 HE2 PHE 30 HE1 PHE 30 -17.013 -10.722 -15.540 227 HZ PHE 30 HZ PHE 30 -19.198 -9.660 -15.152 228 H SER 31 HN SER 31 -15.383 -7.466 -12.206 229 HA SER 31 HA SER 31 -17.178 -5.341 -11.611 230 HB2 SER 31 HB2 SER 31 -17.659 -7.766 -11.222 231 HB3 SER 31 HB1 SER 31 -16.466 -7.757 -9.927 232 HG SER 31 HG SER 31 -18.002 -7.093 -8.691 233 H ALA 32 HN ALA 32 -13.993 -6.206 -10.587 234 HA ALA 32 HA ALA 32 -14.065 -4.468 -8.247 235 HB1 ALA 32 HB1 ALA 32 -11.813 -6.153 -9.340 236 HB2 ALA 32 HB2 ALA 32 -12.941 -6.647 -8.077 237 HB3 ALA 32 HB3 ALA 32 -11.829 -5.308 -7.793 238 H ILE 33 HN ILE 33 -13.108 -4.428 -11.548 239 HA ILE 33 HA ILE 33 -11.183 -2.366 -11.457 240 HB ILE 33 HB ILE 33 -13.090 -3.129 -13.678 241 HG12 ILE 33 HG12 ILE 33 -10.180 -3.833 -13.230 242 HG13 ILE 33 HG11 ILE 33 -11.541 -4.922 -12.977 243 HG21 ILE 33 HG21 ILE 33 -10.624 -1.390 -13.775 244 HG22 ILE 33 HG22 ILE 33 -12.292 -0.853 -13.991 245 HG23 ILE 33 HG23 ILE 33 -11.551 -1.936 -15.171 246 HD11 ILE 33 HD11 ILE 33 -10.691 -3.720 -15.603 247 HD12 ILE 33 HD12 ILE 33 -12.073 -4.790 -15.361 248 HD13 ILE 33 HD13 ILE 33 -10.438 -5.386 -15.081 249 H GLN 34 HN GLN 34 -11.476 -0.350 -10.789 250 HA GLN 34 HA GLN 34 -14.165 0.693 -10.525 251 HB2 GLN 34 HB2 GLN 34 -13.105 2.499 -9.224 252 HB3 GLN 34 HB1 GLN 34 -12.688 0.907 -8.615 253 HG2 GLN 34 HG2 GLN 34 -10.647 1.879 -8.531 254 HG3 GLN 34 HG1 GLN 34 -10.586 1.249 -10.175 255 HE21 GLN 34 HE21 GLN 34 -9.118 2.763 -10.873 256 HE22 GLN 34 HE22 GLN 34 -9.518 4.441 -11.081 257 H GLY 35 HN GLY 35 -12.510 0.480 -13.098 258 HA2 GLY 35 HA2 GLY 35 -11.808 2.976 -14.094 259 HA3 GLY 35 HA1 GLY 35 -12.371 1.632 -15.077 260 H ASP 36 HN ASP 36 -12.919 4.755 -14.473 261 HA ASP 36 HA ASP 36 -15.770 4.743 -14.185 262 HB2 ASP 36 HB2 ASP 36 -15.598 7.175 -14.392 263 HB3 ASP 36 HB1 ASP 36 -14.428 6.557 -13.236 264 H GLY 37 HN GLY 37 -17.268 4.721 -15.700 265 HA2 GLY 37 HA2 GLY 37 -18.178 5.350 -17.810 266 HA3 GLY 37 HA1 GLY 37 -16.545 5.477 -18.445 267 H PHE 38 HN PHE 38 -15.396 3.137 -17.916 268 HA PHE 38 HA PHE 38 -17.152 0.999 -18.813 269 HB2 PHE 38 HB2 PHE 38 -15.610 0.427 -20.702 270 HB3 PHE 38 HB1 PHE 38 -16.497 1.927 -20.932 271 HD1 PHE 38 HD1 PHE 38 -15.344 4.080 -20.803 272 HD2 PHE 38 HD2 PHE 38 -13.226 0.406 -20.468 273 HE1 PHE 38 HE1 PHE 38 -13.231 5.264 -21.231 274 HE2 PHE 38 HE2 PHE 38 -11.108 1.584 -20.886 275 HZ PHE 38 HZ PHE 38 -11.108 4.017 -21.270 276 H LYS 39 HN LYS 39 -16.281 -1.095 -18.514 277 HA LYS 39 HA LYS 39 -14.275 -1.174 -16.416 278 HB2 LYS 39 HB2 LYS 39 -15.881 -3.429 -17.637 279 HB3 LYS 39 HB1 LYS 39 -14.864 -3.545 -16.210 280 HG2 LYS 39 HG2 LYS 39 -17.347 -1.862 -16.466 281 HG3 LYS 39 HG1 LYS 39 -17.223 -3.410 -15.630 282 HD2 LYS 39 HD2 LYS 39 -15.471 -2.362 -14.166 283 HD3 LYS 39 HD1 LYS 39 -15.885 -0.813 -14.905 284 HE2 LYS 39 HE2 LYS 39 -18.179 -1.039 -14.137 285 HE3 LYS 39 HE1 LYS 39 -17.809 -2.619 -13.449 286 HZ1 LYS 39 HZ1 LYS 39 -16.119 -1.429 -12.043 287 HZ2 LYS 39 HZ2 LYS 39 -17.737 -1.095 -11.683 288 HZ3 LYS 39 HZ3 LYS 39 -16.819 0.027 -12.557 289 H SER 40 HN SER 40 -12.415 -0.612 -17.623 290 HA SER 40 HA SER 40 -11.169 -2.930 -18.830 291 HB2 SER 40 HB2 SER 40 -11.404 -0.326 -20.366 292 HB3 SER 40 HB1 SER 40 -10.467 -1.732 -20.868 293 HG SER 40 HG SER 40 -13.004 -2.456 -20.309 294 H LEU 41 HN LEU 41 -8.938 -2.880 -18.720 295 HA LEU 41 HA LEU 41 -7.707 -0.494 -17.515 296 HB2 LEU 41 HB2 LEU 41 -7.113 -3.403 -16.944 297 HB3 LEU 41 HB1 LEU 41 -6.109 -2.074 -16.402 298 HG LEU 41 HG LEU 41 -8.988 -2.501 -15.596 299 HD11 LEU 41 HD11 LEU 41 -6.430 -2.955 -14.065 300 HD12 LEU 41 HD12 LEU 41 -7.499 -4.214 -14.689 301 HD13 LEU 41 HD13 LEU 41 -8.067 -3.120 -13.425 302 HD21 LEU 41 HD21 LEU 41 -8.512 -0.753 -13.938 303 HD22 LEU 41 HD22 LEU 41 -8.350 -0.149 -15.588 304 HD23 LEU 41 HD23 LEU 41 -6.911 -0.531 -14.643 305 H ASP 42 HN ASP 42 -6.194 0.354 -18.794 306 HA ASP 42 HA ASP 42 -5.606 -0.779 -21.300 307 HB2 ASP 42 HB2 ASP 42 -4.325 1.518 -19.817 308 HB3 ASP 42 HB1 ASP 42 -3.923 1.078 -21.474 309 H GLU 43 HN GLU 43 -4.139 -2.135 -21.945 310 HA GLU 43 HA GLU 43 -2.472 -3.549 -20.185 311 HB2 GLU 43 HB2 GLU 43 -1.470 -4.419 -22.371 312 HB3 GLU 43 HB1 GLU 43 -3.192 -4.676 -22.123 313 HG2 GLU 43 HG2 GLU 43 -3.732 -2.842 -23.577 314 HG3 GLU 43 HG1 GLU 43 -2.029 -2.415 -23.734 315 H GLY 44 HN GLY 44 -0.604 -2.945 -19.299 316 HA2 GLY 44 HA2 GLY 44 1.684 -2.316 -19.508 317 HA3 GLY 44 HA1 GLY 44 1.257 -1.331 -20.898 318 H GLN 45 HN GLN 45 -1.107 -0.654 -18.800 319 HA GLN 45 HA GLN 45 0.098 1.867 -18.081 320 HB2 GLN 45 HB2 GLN 45 -2.265 1.687 -18.834 321 HB3 GLN 45 HB1 GLN 45 -2.634 0.765 -17.384 322 HG2 GLN 45 HG2 GLN 45 -3.346 3.017 -17.062 323 HG3 GLN 45 HG1 GLN 45 -1.953 2.717 -16.023 324 HE21 GLN 45 HE21 GLN 45 -1.398 4.883 -15.871 325 HE22 GLN 45 HE22 GLN 45 -0.731 5.768 -17.202 326 H ALA 46 HN ALA 46 0.917 2.434 -16.145 327 HA ALA 46 HA ALA 46 1.146 0.490 -14.039 328 HB1 ALA 46 HB1 ALA 46 2.955 2.070 -14.506 329 HB2 ALA 46 HB2 ALA 46 2.378 2.240 -12.847 330 HB3 ALA 46 HB3 ALA 46 1.900 3.415 -14.074 331 H VAL 47 HN VAL 47 -0.080 0.295 -12.240 332 HA VAL 47 HA VAL 47 -2.104 2.355 -11.714 333 HB VAL 47 HB VAL 47 -3.792 0.555 -11.294 334 HG11 VAL 47 HG11 VAL 47 -4.319 0.175 -13.674 335 HG12 VAL 47 HG12 VAL 47 -2.724 0.793 -14.102 336 HG13 VAL 47 HG13 VAL 47 -3.900 1.853 -13.326 337 HG21 VAL 47 HG21 VAL 47 -1.767 -1.177 -12.704 338 HG22 VAL 47 HG22 VAL 47 -3.432 -1.636 -12.349 339 HG23 VAL 47 HG23 VAL 47 -2.299 -1.338 -11.030 340 H THR 48 HN THR 48 -2.922 2.386 -9.605 341 HA THR 48 HA THR 48 -1.351 0.865 -7.628 342 HB THR 48 HB THR 48 -1.911 2.714 -6.034 343 HG1 THR 48 HG1 THR 48 -3.717 3.385 -7.609 344 HG21 THR 48 HG21 THR 48 -0.477 3.643 -8.531 345 HG22 THR 48 HG22 THR 48 0.250 2.703 -7.226 346 HG23 THR 48 HG23 THR 48 -0.323 4.344 -6.921 347 H PHE 49 HN PHE 49 -2.523 -0.764 -6.909 348 HA PHE 49 HA PHE 49 -5.433 -0.401 -6.645 349 HB2 PHE 49 HB2 PHE 49 -5.588 -2.861 -7.160 350 HB3 PHE 49 HB1 PHE 49 -5.040 -1.866 -8.504 351 HD1 PHE 49 HD1 PHE 49 -4.061 -4.364 -6.024 352 HD2 PHE 49 HD2 PHE 49 -2.797 -2.045 -9.350 353 HE1 PHE 49 HE1 PHE 49 -2.069 -5.792 -6.250 354 HE2 PHE 49 HE2 PHE 49 -0.799 -3.459 -9.584 355 HZ PHE 49 HZ PHE 49 -0.431 -5.338 -8.032 356 H ASP 50 HN ASP 50 -6.420 -1.974 -5.079 357 HA ASP 50 HA ASP 50 -4.567 -2.371 -2.817 358 HB2 ASP 50 HB2 ASP 50 -6.528 -0.921 -2.374 359 HB3 ASP 50 HB1 ASP 50 -7.591 -2.272 -2.766 360 H VAL 51 HN VAL 51 -4.102 -4.385 -2.127 361 HA VAL 51 HA VAL 51 -5.018 -6.566 -3.745 362 HB VAL 51 HB VAL 51 -2.698 -6.531 -3.075 363 HG11 VAL 51 HG11 VAL 51 -2.865 -5.390 -0.950 364 HG12 VAL 51 HG12 VAL 51 -2.010 -6.920 -0.755 365 HG13 VAL 51 HG13 VAL 51 -3.691 -6.778 -0.242 366 HG21 VAL 51 HG21 VAL 51 -4.203 -8.808 -1.799 367 HG22 VAL 51 HG22 VAL 51 -2.485 -8.816 -2.195 368 HG23 VAL 51 HG23 VAL 51 -3.688 -8.702 -3.482 369 H GLU 52 HN GLU 52 -6.720 -7.755 -3.421 370 HA GLU 52 HA GLU 52 -7.907 -7.884 -0.724 371 HB2 GLU 52 HB2 GLU 52 -9.074 -6.983 -2.993 372 HB3 GLU 52 HB1 GLU 52 -9.469 -8.687 -3.123 373 HG2 GLU 52 HG2 GLU 52 -10.073 -7.083 -0.663 374 HG3 GLU 52 HG1 GLU 52 -11.181 -7.180 -2.029 375 H GLU 53 HN GLU 53 -8.889 -10.000 -0.169 376 HA GLU 53 HA GLU 53 -7.155 -12.142 -1.153 377 HB2 GLU 53 HB2 GLU 53 -8.370 -11.506 1.408 378 HB3 GLU 53 HB1 GLU 53 -8.671 -13.174 0.937 379 HG2 GLU 53 HG2 GLU 53 -5.949 -11.891 1.012 380 HG3 GLU 53 HG1 GLU 53 -6.638 -12.863 2.313 381 H GLY 54 HN GLY 54 -7.936 -13.227 -2.808 382 HA2 GLY 54 HA2 GLY 54 -10.820 -13.754 -2.949 383 HA3 GLY 54 HA1 GLY 54 -9.672 -13.934 -4.274 384 H GLN 55 HN GLN 55 -11.556 -15.917 -3.443 385 HA GLN 55 HA GLN 55 -10.176 -17.862 -1.838 386 HB2 GLN 55 HB2 GLN 55 -12.678 -18.090 -3.517 387 HB3 GLN 55 HB1 GLN 55 -12.084 -19.341 -2.430 388 HG2 GLN 55 HG2 GLN 55 -12.318 -17.797 -0.542 389 HG3 GLN 55 HG1 GLN 55 -12.943 -16.567 -1.639 390 HE21 GLN 55 HE21 GLN 55 -14.908 -16.420 -0.623 391 HE22 GLN 55 HE22 GLN 55 -16.094 -17.685 -0.686 392 H ARG 56 HN ARG 56 -9.435 -16.873 -4.791 393 HA ARG 56 HA ARG 56 -8.389 -19.519 -5.532 394 HB2 ARG 56 HB2 ARG 56 -9.379 -17.359 -7.403 395 HB3 ARG 56 HB1 ARG 56 -8.470 -18.771 -7.920 396 HG2 ARG 56 HG2 ARG 56 -10.284 -20.201 -7.005 397 HG3 ARG 56 HG1 ARG 56 -11.208 -18.734 -6.669 398 HD2 ARG 56 HD2 ARG 56 -11.056 -18.147 -9.067 399 HD3 ARG 56 HD1 ARG 56 -10.247 -19.684 -9.363 400 HE ARG 56 HE ARG 56 -12.637 -20.268 -8.083 401 HH11 ARG 56 HH11 ARG 56 -11.547 -18.895 -11.110 402 HH12 ARG 56 HH12 ARG 56 -13.002 -19.307 -11.972 403 HH21 ARG 56 HH21 ARG 56 -14.566 -20.824 -9.232 404 HH22 ARG 56 HH22 ARG 56 -14.713 -20.390 -10.906 405 H GLY 57 HN GLY 57 -7.522 -16.848 -4.142 406 HA2 GLY 57 HA2 GLY 57 -5.010 -16.628 -4.027 407 HA3 GLY 57 HA1 GLY 57 -5.103 -16.397 -5.769 408 HA PRO 58 HA PRO 58 -5.365 -12.283 -3.398 409 HB2 PRO 58 HB2 PRO 58 -3.292 -11.141 -4.824 410 HB3 PRO 58 HB1 PRO 58 -3.128 -11.880 -3.228 411 HG2 PRO 58 HG2 PRO 58 -2.521 -13.016 -5.918 412 HG3 PRO 58 HG1 PRO 58 -1.633 -13.202 -4.395 413 HD2 PRO 58 HD2 PRO 58 -3.230 -15.146 -5.357 414 HD3 PRO 58 HD1 PRO 58 -3.070 -14.844 -3.614 415 H GLN 59 HN GLN 59 -6.853 -10.988 -4.186 416 HA GLN 59 HA GLN 59 -7.251 -10.881 -7.095 417 HB2 GLN 59 HB2 GLN 59 -9.093 -11.700 -5.497 418 HB3 GLN 59 HB1 GLN 59 -9.232 -10.023 -4.990 419 HG2 GLN 59 HG2 GLN 59 -9.662 -9.410 -7.359 420 HG3 GLN 59 HG1 GLN 59 -9.687 -11.128 -7.746 421 HE21 GLN 59 HE21 GLN 59 -10.966 -11.724 -5.118 422 HE22 GLN 59 HE22 GLN 59 -12.626 -11.270 -5.313 423 H ALA 60 HN ALA 60 -7.430 -8.916 -8.139 424 HA ALA 60 HA ALA 60 -6.323 -6.640 -6.700 425 HB1 ALA 60 HB1 ALA 60 -6.060 -5.616 -8.886 426 HB2 ALA 60 HB2 ALA 60 -6.948 -6.944 -9.631 427 HB3 ALA 60 HB3 ALA 60 -5.381 -7.243 -8.881 428 H ALA 61 HN ALA 61 -7.776 -5.542 -5.575 429 HA ALA 61 HA ALA 61 -10.244 -4.700 -6.953 430 HB1 ALA 61 HB1 ALA 61 -11.274 -4.434 -4.740 431 HB2 ALA 61 HB2 ALA 61 -9.798 -5.030 -3.979 432 HB3 ALA 61 HB3 ALA 61 -10.753 -6.098 -5.009 433 H ASN 62 HN ASN 62 -10.991 -2.491 -6.183 434 HA ASN 62 HA ASN 62 -10.538 -0.251 -6.311 435 HB2 ASN 62 HB2 ASN 62 -8.602 -1.019 -4.108 436 HB3 ASN 62 HB1 ASN 62 -9.103 0.626 -4.478 437 HD21 ASN 62 HD21 ASN 62 -9.411 -0.955 -2.041 438 HD22 ASN 62 HD22 ASN 62 -11.105 -0.969 -1.703 439 H VAL 63 HN VAL 63 -9.556 -0.871 -8.467 440 HA VAL 63 HA VAL 63 -6.650 -0.660 -8.546 441 HB VAL 63 HB VAL 63 -8.538 -1.155 -10.855 442 HG11 VAL 63 HG11 VAL 63 -6.339 -0.305 -11.506 443 HG12 VAL 63 HG12 VAL 63 -6.555 -1.983 -12.005 444 HG13 VAL 63 HG13 VAL 63 -5.568 -1.601 -10.594 445 HG21 VAL 63 HG21 VAL 63 -7.021 -3.149 -9.170 446 HG22 VAL 63 HG22 VAL 63 -7.923 -3.524 -10.640 447 HG23 VAL 63 HG23 VAL 63 -8.773 -2.935 -9.210 448 H GLN 64 HN GLN 64 -6.343 1.501 -8.075 449 HA GLN 64 HA GLN 64 -7.672 3.565 -9.607 450 HB2 GLN 64 HB2 GLN 64 -5.421 3.692 -7.591 451 HB3 GLN 64 HB1 GLN 64 -6.237 5.088 -8.282 452 HG2 GLN 64 HG2 GLN 64 -8.056 4.845 -6.987 453 HG3 GLN 64 HG1 GLN 64 -7.985 3.085 -7.025 454 HE21 GLN 64 HE21 GLN 64 -5.201 4.975 -6.139 455 HE22 GLN 64 HE22 GLN 64 -5.210 4.561 -4.459 456 H LYS 65 HN LYS 65 -6.923 4.497 -11.421 457 HA LYS 65 HA LYS 65 -4.458 3.518 -12.568 458 HB2 LYS 65 HB2 LYS 65 -6.484 5.513 -13.598 459 HB3 LYS 65 HB1 LYS 65 -5.085 4.954 -14.505 460 HG2 LYS 65 HG2 LYS 65 -5.960 2.656 -14.396 461 HG3 LYS 65 HG1 LYS 65 -7.392 3.266 -13.560 462 HD2 LYS 65 HD2 LYS 65 -6.503 4.182 -16.294 463 HD3 LYS 65 HD1 LYS 65 -7.704 2.923 -16.012 464 HE2 LYS 65 HE2 LYS 65 -9.188 4.465 -14.962 465 HE3 LYS 65 HE1 LYS 65 -7.950 5.720 -14.926 466 HZ1 LYS 65 HZ1 LYS 65 -8.053 5.940 -17.269 467 HZ2 LYS 65 HZ2 LYS 65 -9.655 5.966 -16.715 468 HZ3 LYS 65 HZ3 LYS 65 -9.028 4.566 -17.441 469 H ALA 66 HN ALA 66 -2.578 4.622 -12.798 470 HA ALA 66 HA ALA 66 -2.218 6.987 -11.190 471 HB1 ALA 66 HB1 ALA 66 -0.505 5.243 -11.196 472 HB2 ALA 66 HB2 ALA 66 0.148 6.773 -11.783 473 HB3 ALA 66 HB3 ALA 66 -0.251 5.489 -12.926 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -1.517 -0.944 0.026 2 H2 MET 1 HT2 MET 1 -1.660 -2.389 -0.840 3 H3 MET 1 HT3 MET 1 -3.053 -1.529 -0.411 4 HA MET 1 HA MET 1 -2.685 -1.100 -2.688 5 HB2 MET 1 HB2 MET 1 -1.598 1.195 -1.043 6 HB3 MET 1 HB1 MET 1 -2.182 1.325 -2.695 7 HG2 MET 1 HG2 MET 1 -4.413 0.744 -1.995 8 HG3 MET 1 HG1 MET 1 -3.854 0.467 -0.347 9 HE1 MET 1 HE1 MET 1 -6.306 2.448 -1.261 10 HE2 MET 1 HE2 MET 1 -6.029 3.745 -0.096 11 HE3 MET 1 HE3 MET 1 -5.869 2.061 0.404 12 H GLU 2 HN GLU 2 -1.313 -1.662 -4.218 13 HA GLU 2 HA GLU 2 1.522 -0.940 -3.935 14 HB2 GLU 2 HB2 GLU 2 0.437 -3.619 -4.828 15 HB3 GLU 2 HB1 GLU 2 2.123 -3.137 -4.934 16 HG2 GLU 2 HG2 GLU 2 2.298 -2.999 -2.550 17 HG3 GLU 2 HG1 GLU 2 0.570 -3.289 -2.366 18 H GLN 3 HN GLN 3 2.617 -0.602 -5.895 19 HA GLN 3 HA GLN 3 0.858 0.089 -8.118 20 HB2 GLN 3 HB2 GLN 3 2.559 1.726 -7.344 21 HB3 GLN 3 HB1 GLN 3 3.824 0.578 -7.762 22 HG2 GLN 3 HG2 GLN 3 3.069 0.668 -10.115 23 HG3 GLN 3 HG1 GLN 3 1.900 1.905 -9.657 24 HE21 GLN 3 HE21 GLN 3 2.628 3.962 -9.099 25 HE22 GLN 3 HE22 GLN 3 4.221 4.508 -9.493 26 H GLY 4 HN GLY 4 0.616 -1.200 -9.807 27 HA2 GLY 4 HA2 GLY 4 2.757 -3.107 -10.459 28 HA3 GLY 4 HA1 GLY 4 1.120 -3.704 -10.217 29 H THR 5 HN THR 5 2.722 -3.881 -12.599 30 HA THR 5 HA THR 5 1.663 -1.916 -14.439 31 HB THR 5 HB THR 5 3.268 -4.379 -15.123 32 HG1 THR 5 HG1 THR 5 5.009 -3.394 -14.402 33 HG21 THR 5 HG21 THR 5 2.159 -3.113 -16.967 34 HG22 THR 5 HG22 THR 5 3.920 -3.134 -17.076 35 HG23 THR 5 HG23 THR 5 3.088 -1.693 -16.489 36 H VAL 6 HN VAL 6 -0.101 -2.172 -15.671 37 HA VAL 6 HA VAL 6 -1.761 -4.459 -15.504 38 HB VAL 6 HB VAL 6 -1.760 -2.312 -17.637 39 HG11 VAL 6 HG11 VAL 6 -3.918 -4.246 -16.803 40 HG12 VAL 6 HG12 VAL 6 -3.003 -4.294 -18.310 41 HG13 VAL 6 HG13 VAL 6 -4.098 -2.950 -17.984 42 HG21 VAL 6 HG21 VAL 6 -2.004 -1.336 -15.426 43 HG22 VAL 6 HG22 VAL 6 -3.294 -2.474 -15.045 44 HG23 VAL 6 HG23 VAL 6 -3.533 -1.257 -16.299 45 H LYS 7 HN LYS 7 -1.365 -6.369 -16.355 46 HA LYS 7 HA LYS 7 0.591 -6.660 -18.476 47 HB2 LYS 7 HB2 LYS 7 -0.982 -8.744 -16.939 48 HB3 LYS 7 HB1 LYS 7 0.344 -9.074 -18.049 49 HG2 LYS 7 HG2 LYS 7 0.639 -7.379 -15.584 50 HG3 LYS 7 HG1 LYS 7 0.934 -9.118 -15.614 51 HD2 LYS 7 HD2 LYS 7 2.283 -7.365 -17.616 52 HD3 LYS 7 HD1 LYS 7 2.907 -7.436 -15.965 53 HE2 LYS 7 HE2 LYS 7 2.418 -9.854 -17.700 54 HE3 LYS 7 HE1 LYS 7 3.980 -9.049 -17.543 55 HZ1 LYS 7 HZ1 LYS 7 2.439 -10.334 -15.341 56 HZ2 LYS 7 HZ2 LYS 7 3.906 -9.491 -15.153 57 HZ3 LYS 7 HZ3 LYS 7 3.864 -10.922 -16.053 58 H TRP 8 HN TRP 8 -2.691 -7.913 -17.910 59 HA TRP 8 HA TRP 8 -3.336 -7.387 -20.710 60 HB2 TRP 8 HB2 TRP 8 -3.701 -10.088 -19.385 61 HB3 TRP 8 HB1 TRP 8 -4.329 -9.645 -20.970 62 HD1 TRP 8 HD1 TRP 8 -1.278 -10.988 -19.281 63 HE1 TRP 8 HE1 TRP 8 0.617 -11.293 -20.993 64 HE3 TRP 8 HE3 TRP 8 -3.348 -8.475 -23.223 65 HZ2 TRP 8 HZ2 TRP 8 1.155 -10.568 -23.672 66 HZ3 TRP 8 HZ3 TRP 8 -2.078 -8.326 -25.325 67 HH2 TRP 8 HH2 TRP 8 0.128 -9.351 -25.544 68 H PHE 9 HN PHE 9 -5.380 -6.686 -20.987 69 HA PHE 9 HA PHE 9 -7.203 -6.933 -18.686 70 HB2 PHE 9 HB2 PHE 9 -6.374 -4.600 -19.089 71 HB3 PHE 9 HB1 PHE 9 -7.135 -4.654 -20.675 72 HD1 PHE 9 HD2 PHE 9 -7.871 -4.970 -17.053 73 HD2 PHE 9 HD1 PHE 9 -9.362 -4.033 -20.927 74 HE1 PHE 9 HE2 PHE 9 -9.986 -4.211 -16.051 75 HE2 PHE 9 HE1 PHE 9 -11.481 -3.274 -19.934 76 HZ PHE 9 HZ PHE 9 -11.795 -3.363 -17.492 77 H ASN 10 HN ASN 10 -8.419 -8.614 -19.285 78 HA ASN 10 HA ASN 10 -9.268 -8.959 -22.021 79 HB2 ASN 10 HB2 ASN 10 -8.622 -10.920 -20.700 80 HB3 ASN 10 HB1 ASN 10 -9.891 -10.571 -19.534 81 HD21 ASN 10 HD21 ASN 10 -10.742 -12.645 -19.907 82 HD22 ASN 10 HD22 ASN 10 -11.654 -13.004 -21.331 83 H ALA 11 HN ALA 11 -10.449 -7.029 -22.230 84 HA ALA 11 HA ALA 11 -12.738 -6.432 -20.650 85 HB1 ALA 11 HB1 ALA 11 -13.241 -4.758 -22.353 86 HB2 ALA 11 HB2 ALA 11 -12.022 -5.461 -23.415 87 HB3 ALA 11 HB3 ALA 11 -11.538 -4.708 -21.896 88 H GLU 12 HN GLU 12 -12.181 -8.755 -23.015 89 HA GLU 12 HA GLU 12 -14.751 -8.896 -24.216 90 HB2 GLU 12 HB2 GLU 12 -12.760 -11.138 -23.819 91 HB3 GLU 12 HB1 GLU 12 -14.071 -11.096 -24.988 92 HG2 GLU 12 HG2 GLU 12 -11.654 -9.304 -24.968 93 HG3 GLU 12 HG1 GLU 12 -11.931 -10.672 -26.045 94 H LYS 13 HN LYS 13 -13.581 -9.689 -21.126 95 HA LYS 13 HA LYS 13 -16.078 -11.118 -20.526 96 HB2 LYS 13 HB2 LYS 13 -13.293 -11.812 -19.623 97 HB3 LYS 13 HB1 LYS 13 -14.726 -12.396 -18.792 98 HG2 LYS 13 HG2 LYS 13 -14.519 -12.841 -21.722 99 HG3 LYS 13 HG1 LYS 13 -13.521 -13.822 -20.648 100 HD2 LYS 13 HD2 LYS 13 -15.546 -15.021 -21.050 101 HD3 LYS 13 HD1 LYS 13 -15.605 -14.420 -19.395 102 HE2 LYS 13 HE2 LYS 13 -17.755 -14.113 -20.428 103 HE3 LYS 13 HE1 LYS 13 -17.006 -12.539 -20.170 104 HZ1 LYS 13 HZ1 LYS 13 -18.059 -12.738 -22.349 105 HZ2 LYS 13 HZ2 LYS 13 -17.016 -14.009 -22.754 106 HZ3 LYS 13 HZ3 LYS 13 -16.399 -12.452 -22.484 107 H GLY 14 HN GLY 14 -13.484 -9.027 -19.375 108 HA2 GLY 14 HA2 GLY 14 -14.163 -7.053 -18.122 109 HA3 GLY 14 HA1 GLY 14 -15.350 -8.057 -17.304 110 H PHE 15 HN PHE 15 -12.089 -9.189 -17.871 111 HA PHE 15 HA PHE 15 -11.248 -8.392 -15.213 112 HB2 PHE 15 HB2 PHE 15 -10.648 -10.666 -14.501 113 HB3 PHE 15 HB1 PHE 15 -12.380 -10.505 -14.741 114 HD1 PHE 15 HD2 PHE 15 -9.277 -11.826 -16.279 115 HD2 PHE 15 HD1 PHE 15 -13.531 -11.934 -16.193 116 HE1 PHE 15 HE2 PHE 15 -9.250 -13.826 -17.711 117 HE2 PHE 15 HE1 PHE 15 -13.510 -13.935 -17.619 118 HZ PHE 15 HZ PHE 15 -11.370 -14.885 -18.381 119 H GLY 16 HN GLY 16 -8.911 -9.410 -14.856 120 HA2 GLY 16 HA2 GLY 16 -7.380 -9.973 -17.169 121 HA3 GLY 16 HA1 GLY 16 -7.265 -8.262 -16.778 122 H PHE 17 HN PHE 17 -4.969 -8.916 -16.580 123 HA PHE 17 HA PHE 17 -4.428 -9.852 -13.843 124 HB2 PHE 17 HB2 PHE 17 -2.778 -10.497 -16.297 125 HB3 PHE 17 HB1 PHE 17 -2.394 -10.970 -14.646 126 HD1 PHE 17 HD1 PHE 17 -3.949 -12.556 -13.453 127 HD2 PHE 17 HD2 PHE 17 -4.197 -11.794 -17.632 128 HE1 PHE 17 HE1 PHE 17 -5.240 -14.631 -13.753 129 HE2 PHE 17 HE2 PHE 17 -5.487 -13.865 -17.939 130 HZ PHE 17 HZ PHE 17 -6.010 -15.287 -15.997 131 H ILE 18 HN ILE 18 -3.406 -8.407 -12.681 132 HA ILE 18 HA ILE 18 -1.567 -6.533 -14.034 133 HB ILE 18 HB ILE 18 -3.096 -5.948 -11.488 134 HG12 ILE 18 HG12 ILE 18 -3.664 -4.963 -14.296 135 HG13 ILE 18 HG11 ILE 18 -4.642 -6.128 -13.411 136 HG21 ILE 18 HG21 ILE 18 -2.339 -3.663 -11.838 137 HG22 ILE 18 HG22 ILE 18 -1.509 -4.151 -13.315 138 HG23 ILE 18 HG23 ILE 18 -0.964 -4.765 -11.754 139 HD11 ILE 18 HD11 ILE 18 -5.653 -3.933 -13.361 140 HD12 ILE 18 HD12 ILE 18 -4.190 -3.251 -12.651 141 HD13 ILE 18 HD13 ILE 18 -5.152 -4.415 -11.740 142 H GLU 19 HN GLU 19 0.516 -6.831 -13.396 143 HA GLU 19 HA GLU 19 0.929 -8.980 -11.529 144 HB2 GLU 19 HB2 GLU 19 3.253 -8.923 -12.191 145 HB3 GLU 19 HB1 GLU 19 2.222 -8.872 -13.613 146 HG2 GLU 19 HG2 GLU 19 2.719 -6.640 -14.044 147 HG3 GLU 19 HG1 GLU 19 3.325 -6.365 -12.410 148 H ARG 20 HN ARG 20 1.648 -8.935 -9.546 149 HA ARG 20 HA ARG 20 2.335 -6.478 -8.207 150 HB2 ARG 20 HB2 ARG 20 1.171 -8.511 -7.192 151 HB3 ARG 20 HB1 ARG 20 2.726 -9.321 -7.248 152 HG2 ARG 20 HG2 ARG 20 3.661 -7.667 -5.735 153 HG3 ARG 20 HG1 ARG 20 2.119 -6.805 -5.712 154 HD2 ARG 20 HD2 ARG 20 1.027 -8.784 -4.779 155 HD3 ARG 20 HD1 ARG 20 2.564 -9.645 -4.801 156 HE ARG 20 HE ARG 20 2.583 -7.174 -3.294 157 HH11 ARG 20 HH11 ARG 20 1.950 -10.624 -3.204 158 HH12 ARG 20 HH12 ARG 20 2.235 -10.768 -1.495 159 HH21 ARG 20 HH21 ARG 20 2.959 -7.351 -1.049 160 HH22 ARG 20 HH22 ARG 20 2.831 -8.902 -0.273 161 H GLU 21 HN GLU 21 4.550 -6.398 -7.038 162 HA GLU 21 HA GLU 21 6.510 -6.355 -9.061 163 HB2 GLU 21 HB2 GLU 21 6.789 -6.080 -6.072 164 HB3 GLU 21 HB1 GLU 21 8.076 -5.741 -7.221 165 HG2 GLU 21 HG2 GLU 21 6.758 -3.974 -8.219 166 HG3 GLU 21 HG1 GLU 21 5.410 -4.350 -7.145 167 H ASN 22 HN ASN 22 5.512 -8.931 -7.111 168 HA ASN 22 HA ASN 22 8.059 -10.330 -7.168 169 HB2 ASN 22 HB2 ASN 22 5.350 -11.412 -6.356 170 HB3 ASN 22 HB1 ASN 22 6.924 -12.102 -5.980 171 HD21 ASN 22 HD21 ASN 22 8.211 -11.125 -4.398 172 HD22 ASN 22 HD22 ASN 22 7.553 -9.997 -3.265 173 H GLY 23 HN GLY 23 5.991 -9.623 -9.519 174 HA2 GLY 23 HA2 GLY 23 5.715 -10.595 -11.627 175 HA3 GLY 23 HA1 GLY 23 6.459 -12.073 -11.021 176 H ASP 24 HN ASP 24 4.269 -11.066 -8.830 177 HA ASP 24 HA ASP 24 2.518 -13.262 -9.342 178 HB2 ASP 24 HB2 ASP 24 3.191 -12.587 -7.064 179 HB3 ASP 24 HB1 ASP 24 2.362 -11.051 -7.280 180 H ASP 25 HN ASP 25 1.546 -12.772 -11.328 181 HA ASP 25 HA ASP 25 0.106 -10.435 -11.903 182 HB2 ASP 25 HB2 ASP 25 -0.462 -13.253 -12.858 183 HB3 ASP 25 HB1 ASP 25 -1.149 -11.791 -13.552 184 H VAL 26 HN VAL 26 -1.331 -9.627 -10.519 185 HA VAL 26 HA VAL 26 -3.015 -11.325 -8.908 186 HB VAL 26 HB VAL 26 -3.110 -8.312 -9.171 187 HG11 VAL 26 HG11 VAL 26 -4.035 -10.172 -6.990 188 HG12 VAL 26 HG12 VAL 26 -5.062 -9.264 -8.102 189 HG13 VAL 26 HG13 VAL 26 -4.071 -8.411 -6.917 190 HG21 VAL 26 HG21 VAL 26 -1.646 -8.230 -7.207 191 HG22 VAL 26 HG22 VAL 26 -0.849 -9.017 -8.570 192 HG23 VAL 26 HG23 VAL 26 -1.496 -9.986 -7.247 193 H PHE 27 HN PHE 27 -5.114 -11.810 -9.247 194 HA PHE 27 HA PHE 27 -6.187 -11.338 -11.864 195 HB2 PHE 27 HB2 PHE 27 -6.473 -13.498 -10.729 196 HB3 PHE 27 HB1 PHE 27 -7.410 -12.716 -9.464 197 HD1 PHE 27 HD2 PHE 27 -7.381 -13.545 -13.065 198 HD2 PHE 27 HD1 PHE 27 -9.716 -12.345 -9.715 199 HE1 PHE 27 HE2 PHE 27 -9.434 -13.922 -14.363 200 HE2 PHE 27 HE1 PHE 27 -11.771 -12.722 -11.011 201 HZ PHE 27 HZ PHE 27 -11.632 -13.509 -13.337 202 H VAL 28 HN VAL 28 -6.904 -9.336 -12.262 203 HA VAL 28 HA VAL 28 -8.478 -7.927 -10.263 204 HB VAL 28 HB VAL 28 -6.754 -6.759 -11.707 205 HG11 VAL 28 HG11 VAL 28 -7.441 -6.033 -13.940 206 HG12 VAL 28 HG12 VAL 28 -8.872 -7.058 -13.826 207 HG13 VAL 28 HG13 VAL 28 -7.266 -7.787 -13.840 208 HG21 VAL 28 HG21 VAL 28 -8.387 -5.521 -10.423 209 HG22 VAL 28 HG22 VAL 28 -9.570 -5.689 -11.721 210 HG23 VAL 28 HG23 VAL 28 -8.110 -4.733 -11.977 211 H HIS 29 HN HIS 29 -10.652 -7.290 -10.599 212 HA HIS 29 HA HIS 29 -12.094 -8.709 -12.702 213 HB2 HIS 29 HB2 HIS 29 -13.697 -9.628 -10.967 214 HB3 HIS 29 HB1 HIS 29 -12.111 -10.384 -11.020 215 HD1 HIS 29 HD1 HIS 29 -10.526 -9.960 -8.985 216 HD2 HIS 29 HD2 HIS 29 -14.322 -8.310 -8.594 217 HE1 HIS 29 HE1 HIS 29 -10.753 -9.344 -6.556 218 HE2 HIS 29 HE2 HIS 29 -13.074 -8.390 -6.328 219 H PHE 30 HN PHE 30 -14.112 -7.873 -13.193 220 HA PHE 30 HA PHE 30 -14.274 -5.102 -13.030 221 HB2 PHE 30 HB2 PHE 30 -16.489 -5.341 -14.098 222 HB3 PHE 30 HB1 PHE 30 -15.253 -6.326 -14.871 223 HD1 PHE 30 HD1 PHE 30 -15.301 -8.760 -14.665 224 HD2 PHE 30 HD2 PHE 30 -18.348 -6.336 -12.950 225 HE1 PHE 30 HE1 PHE 30 -16.737 -10.742 -14.427 226 HE2 PHE 30 HE2 PHE 30 -19.788 -8.313 -12.708 227 HZ PHE 30 HZ PHE 30 -18.985 -10.519 -13.446 228 H SER 31 HN SER 31 -15.546 -7.446 -10.814 229 HA SER 31 HA SER 31 -17.545 -5.715 -9.714 230 HB2 SER 31 HB2 SER 31 -17.429 -7.550 -7.844 231 HB3 SER 31 HB1 SER 31 -18.088 -7.948 -9.433 232 HG SER 31 HG SER 31 -16.643 -9.529 -9.055 233 H ALA 32 HN ALA 32 -14.275 -5.570 -9.586 234 HA ALA 32 HA ALA 32 -14.379 -4.087 -7.041 235 HB1 ALA 32 HB1 ALA 32 -12.021 -4.664 -6.666 236 HB2 ALA 32 HB2 ALA 32 -12.052 -5.688 -8.103 237 HB3 ALA 32 HB3 ALA 32 -13.054 -6.093 -6.708 238 H ILE 33 HN ILE 33 -13.417 -4.209 -10.363 239 HA ILE 33 HA ILE 33 -11.673 -1.971 -10.380 240 HB ILE 33 HB ILE 33 -13.347 -3.052 -12.655 241 HG12 ILE 33 HG12 ILE 33 -10.487 -3.683 -11.899 242 HG13 ILE 33 HG11 ILE 33 -11.858 -4.760 -11.665 243 HG21 ILE 33 HG21 ILE 33 -12.521 -0.803 -13.078 244 HG22 ILE 33 HG22 ILE 33 -11.704 -1.977 -14.110 245 HG23 ILE 33 HG23 ILE 33 -10.880 -1.323 -12.695 246 HD11 ILE 33 HD11 ILE 33 -12.196 -4.897 -14.061 247 HD12 ILE 33 HD12 ILE 33 -10.547 -5.358 -13.631 248 HD13 ILE 33 HD13 ILE 33 -10.867 -3.769 -14.325 249 H GLN 34 HN GLN 34 -12.257 0.071 -9.917 250 HA GLN 34 HA GLN 34 -14.963 0.955 -10.392 251 HB2 GLN 34 HB2 GLN 34 -14.088 3.176 -9.555 252 HB3 GLN 34 HB1 GLN 34 -14.011 1.845 -8.417 253 HG2 GLN 34 HG2 GLN 34 -11.937 2.578 -8.054 254 HG3 GLN 34 HG1 GLN 34 -11.551 1.703 -9.534 255 HE21 GLN 34 HE21 GLN 34 -9.826 3.074 -9.952 256 HE22 GLN 34 HE22 GLN 34 -10.067 4.684 -10.544 257 H GLY 35 HN GLY 35 -15.516 1.198 -12.428 258 HA2 GLY 35 HA2 GLY 35 -13.562 1.939 -14.433 259 HA3 GLY 35 HA1 GLY 35 -15.241 1.504 -14.717 260 H ASP 36 HN ASP 36 -13.535 4.040 -12.927 261 HA ASP 36 HA ASP 36 -15.537 5.986 -13.615 262 HB2 ASP 36 HB2 ASP 36 -14.395 6.010 -11.431 263 HB3 ASP 36 HB1 ASP 36 -12.861 6.317 -12.239 264 H GLY 37 HN GLY 37 -15.591 6.568 -15.709 265 HA2 GLY 37 HA2 GLY 37 -14.675 8.195 -17.271 266 HA3 GLY 37 HA1 GLY 37 -13.075 7.567 -16.891 267 H PHE 38 HN PHE 38 -12.382 5.644 -17.809 268 HA PHE 38 HA PHE 38 -14.141 4.524 -19.885 269 HB2 PHE 38 HB2 PHE 38 -11.145 4.938 -20.028 270 HB3 PHE 38 HB1 PHE 38 -12.087 4.041 -21.214 271 HD1 PHE 38 HD1 PHE 38 -14.001 5.314 -22.379 272 HD2 PHE 38 HD2 PHE 38 -10.823 7.217 -20.283 273 HE1 PHE 38 HE1 PHE 38 -14.439 7.397 -23.612 274 HE2 PHE 38 HE2 PHE 38 -11.267 9.305 -21.506 275 HZ PHE 38 HZ PHE 38 -13.072 9.396 -23.173 276 H LYS 39 HN LYS 39 -14.331 2.357 -19.970 277 HA LYS 39 HA LYS 39 -13.231 0.867 -17.722 278 HB2 LYS 39 HB2 LYS 39 -15.294 0.236 -19.829 279 HB3 LYS 39 HB1 LYS 39 -14.678 -1.002 -18.747 280 HG2 LYS 39 HG2 LYS 39 -16.762 -0.195 -17.898 281 HG3 LYS 39 HG1 LYS 39 -15.472 0.345 -16.826 282 HD2 LYS 39 HD2 LYS 39 -15.548 2.558 -17.771 283 HD3 LYS 39 HD1 LYS 39 -16.709 2.036 -18.993 284 HE2 LYS 39 HE2 LYS 39 -18.378 1.639 -17.313 285 HE3 LYS 39 HE1 LYS 39 -17.217 1.962 -16.025 286 HZ1 LYS 39 HZ1 LYS 39 -17.119 4.240 -16.638 287 HZ2 LYS 39 HZ2 LYS 39 -18.760 3.829 -16.547 288 HZ3 LYS 39 HZ3 LYS 39 -18.005 3.977 -18.059 289 H SER 40 HN SER 40 -11.130 1.491 -19.147 290 HA SER 40 HA SER 40 -10.315 -1.022 -20.349 291 HB2 SER 40 HB2 SER 40 -10.122 1.590 -21.869 292 HB3 SER 40 HB1 SER 40 -9.480 0.034 -22.398 293 HG SER 40 HG SER 40 -12.013 -0.366 -21.793 294 H LEU 41 HN LEU 41 -8.609 -1.465 -19.137 295 HA LEU 41 HA LEU 41 -6.688 0.631 -18.466 296 HB2 LEU 41 HB2 LEU 41 -7.049 -2.218 -17.558 297 HB3 LEU 41 HB1 LEU 41 -5.550 -1.362 -17.262 298 HG LEU 41 HG LEU 41 -6.864 0.370 -16.013 299 HD11 LEU 41 HD11 LEU 41 -9.094 -1.640 -16.277 300 HD12 LEU 41 HD12 LEU 41 -9.054 -0.030 -16.998 301 HD13 LEU 41 HD13 LEU 41 -9.105 -0.210 -15.244 302 HD21 LEU 41 HD21 LEU 41 -7.170 -1.015 -14.013 303 HD22 LEU 41 HD22 LEU 41 -5.649 -1.361 -14.835 304 HD23 LEU 41 HD23 LEU 41 -7.013 -2.465 -15.005 305 H ASP 42 HN ASP 42 -4.713 0.782 -19.432 306 HA ASP 42 HA ASP 42 -4.412 -0.898 -21.811 307 HB2 ASP 42 HB2 ASP 42 -2.987 1.682 -21.121 308 HB3 ASP 42 HB1 ASP 42 -2.947 0.842 -22.668 309 H GLU 43 HN GLU 43 -2.841 -2.346 -21.999 310 HA GLU 43 HA GLU 43 -1.267 -3.045 -19.783 311 HB2 GLU 43 HB2 GLU 43 -0.090 -4.574 -21.414 312 HB3 GLU 43 HB1 GLU 43 -1.825 -4.781 -21.273 313 HG2 GLU 43 HG2 GLU 43 -1.457 -4.943 -23.543 314 HG3 GLU 43 HG1 GLU 43 -1.965 -3.268 -23.345 315 H GLY 44 HN GLY 44 0.903 -2.849 -19.356 316 HA2 GLY 44 HA2 GLY 44 3.081 -1.968 -19.746 317 HA3 GLY 44 HA1 GLY 44 2.408 -0.923 -20.989 318 H GLN 45 HN GLN 45 0.137 -0.269 -19.088 319 HA GLN 45 HA GLN 45 1.506 1.912 -17.744 320 HB2 GLN 45 HB2 GLN 45 -0.543 2.399 -18.984 321 HB3 GLN 45 HB1 GLN 45 -1.435 1.261 -17.988 322 HG2 GLN 45 HG2 GLN 45 -1.893 3.531 -17.301 323 HG3 GLN 45 HG1 GLN 45 -1.045 2.662 -16.025 324 HE21 GLN 45 HE21 GLN 45 -1.278 5.522 -16.480 325 HE22 GLN 45 HE22 GLN 45 0.338 6.123 -16.613 326 H ALA 46 HN ALA 46 1.639 2.187 -15.549 327 HA ALA 46 HA ALA 46 0.984 -0.185 -13.952 328 HB1 ALA 46 HB1 ALA 46 2.644 0.581 -12.372 329 HB2 ALA 46 HB2 ALA 46 2.872 2.070 -13.291 330 HB3 ALA 46 HB3 ALA 46 3.341 0.520 -13.991 331 H VAL 47 HN VAL 47 -0.625 -0.101 -12.539 332 HA VAL 47 HA VAL 47 -1.555 2.547 -11.632 333 HB VAL 47 HB VAL 47 -3.806 1.542 -11.350 334 HG11 VAL 47 HG11 VAL 47 -2.724 1.328 -14.157 335 HG12 VAL 47 HG12 VAL 47 -3.241 2.816 -13.366 336 HG13 VAL 47 HG13 VAL 47 -4.416 1.544 -13.703 337 HG21 VAL 47 HG21 VAL 47 -4.313 -0.597 -12.451 338 HG22 VAL 47 HG22 VAL 47 -3.179 -0.791 -11.114 339 HG23 VAL 47 HG23 VAL 47 -2.593 -0.824 -12.778 340 H THR 48 HN THR 48 -2.868 2.305 -9.507 341 HA THR 48 HA THR 48 -1.270 0.618 -7.700 342 HB THR 48 HB THR 48 -2.114 2.212 -5.908 343 HG1 THR 48 HG1 THR 48 -3.787 3.043 -7.468 344 HG21 THR 48 HG21 THR 48 -0.410 3.358 -8.124 345 HG22 THR 48 HG22 THR 48 0.160 2.358 -6.786 346 HG23 THR 48 HG23 THR 48 -0.490 3.967 -6.470 347 H PHE 49 HN PHE 49 -2.237 -1.140 -7.082 348 HA PHE 49 HA PHE 49 -5.146 -1.090 -6.626 349 HB2 PHE 49 HB2 PHE 49 -5.162 -3.479 -7.325 350 HB3 PHE 49 HB1 PHE 49 -4.668 -2.398 -8.624 351 HD1 PHE 49 HD1 PHE 49 -3.475 -4.855 -6.159 352 HD2 PHE 49 HD2 PHE 49 -2.504 -2.550 -9.592 353 HE1 PHE 49 HE1 PHE 49 -1.422 -6.180 -6.455 354 HE2 PHE 49 HE2 PHE 49 -0.445 -3.861 -9.896 355 HZ PHE 49 HZ PHE 49 0.099 -5.681 -8.324 356 H ASP 50 HN ASP 50 -5.891 -2.615 -4.974 357 HA ASP 50 HA ASP 50 -3.761 -3.223 -3.019 358 HB2 ASP 50 HB2 ASP 50 -5.656 -1.714 -2.307 359 HB3 ASP 50 HB1 ASP 50 -6.731 -3.097 -2.482 360 H VAL 51 HN VAL 51 -3.288 -5.300 -2.567 361 HA VAL 51 HA VAL 51 -4.558 -7.351 -4.122 362 HB VAL 51 HB VAL 51 -2.381 -7.580 -2.035 363 HG11 VAL 51 HG11 VAL 51 -1.956 -9.790 -3.003 364 HG12 VAL 51 HG12 VAL 51 -3.353 -9.593 -4.063 365 HG13 VAL 51 HG13 VAL 51 -3.578 -9.686 -2.316 366 HG21 VAL 51 HG21 VAL 51 -1.698 -6.243 -3.951 367 HG22 VAL 51 HG22 VAL 51 -2.239 -7.510 -5.050 368 HG23 VAL 51 HG23 VAL 51 -0.882 -7.805 -3.966 369 H GLU 52 HN GLU 52 -6.499 -7.964 -3.523 370 HA GLU 52 HA GLU 52 -7.244 -8.222 -0.730 371 HB2 GLU 52 HB2 GLU 52 -8.629 -7.455 -2.941 372 HB3 GLU 52 HB1 GLU 52 -9.070 -9.154 -2.866 373 HG2 GLU 52 HG2 GLU 52 -9.365 -7.273 -0.542 374 HG3 GLU 52 HG1 GLU 52 -10.634 -7.557 -1.730 375 H GLU 53 HN GLU 53 -7.876 -10.178 0.216 376 HA GLU 53 HA GLU 53 -6.309 -12.407 -0.758 377 HB2 GLU 53 HB2 GLU 53 -7.776 -11.836 1.801 378 HB3 GLU 53 HB1 GLU 53 -7.145 -13.439 1.445 379 HG2 GLU 53 HG2 GLU 53 -5.516 -10.910 1.556 380 HG3 GLU 53 HG1 GLU 53 -5.616 -12.130 2.829 381 H GLY 54 HN GLY 54 -7.335 -13.338 -2.450 382 HA2 GLY 54 HA2 GLY 54 -10.135 -14.037 -2.322 383 HA3 GLY 54 HA1 GLY 54 -9.007 -14.452 -3.608 384 H GLN 55 HN GLN 55 -10.805 -16.303 -2.740 385 HA GLN 55 HA GLN 55 -9.886 -17.901 -0.590 386 HB2 GLN 55 HB2 GLN 55 -11.535 -19.559 -1.428 387 HB3 GLN 55 HB1 GLN 55 -12.206 -17.952 -1.193 388 HG2 GLN 55 HG2 GLN 55 -12.024 -17.541 -3.607 389 HG3 GLN 55 HG1 GLN 55 -11.397 -19.175 -3.823 390 HE21 GLN 55 HE21 GLN 55 -13.805 -17.902 -4.899 391 HE22 GLN 55 HE22 GLN 55 -15.130 -18.898 -4.397 392 H ARG 56 HN ARG 56 -8.993 -17.789 -3.952 393 HA ARG 56 HA ARG 56 -7.304 -20.147 -3.446 394 HB2 ARG 56 HB2 ARG 56 -7.660 -20.984 -5.690 395 HB3 ARG 56 HB1 ARG 56 -9.196 -20.847 -4.850 396 HG2 ARG 56 HG2 ARG 56 -9.932 -19.143 -6.189 397 HG3 ARG 56 HG1 ARG 56 -8.299 -18.601 -6.582 398 HD2 ARG 56 HD2 ARG 56 -9.515 -21.190 -7.537 399 HD3 ARG 56 HD1 ARG 56 -9.482 -19.699 -8.480 400 HE ARG 56 HE ARG 56 -6.869 -20.277 -7.661 401 HH11 ARG 56 HH11 ARG 56 -9.317 -21.674 -9.746 402 HH12 ARG 56 HH12 ARG 56 -8.162 -22.323 -10.866 403 HH21 ARG 56 HH21 ARG 56 -5.358 -21.129 -9.127 404 HH22 ARG 56 HH22 ARG 56 -5.919 -21.992 -10.537 405 H GLY 57 HN GLY 57 -6.974 -17.071 -3.666 406 HA2 GLY 57 HA2 GLY 57 -4.368 -16.909 -4.325 407 HA3 GLY 57 HA1 GLY 57 -5.145 -16.855 -5.899 408 HA PRO 58 HA PRO 58 -4.917 -12.579 -3.997 409 HB2 PRO 58 HB2 PRO 58 -3.297 -11.410 -5.804 410 HB3 PRO 58 HB1 PRO 58 -2.668 -12.333 -4.434 411 HG2 PRO 58 HG2 PRO 58 -2.995 -13.163 -7.290 412 HG3 PRO 58 HG1 PRO 58 -1.647 -13.473 -6.181 413 HD2 PRO 58 HD2 PRO 58 -3.593 -15.305 -6.747 414 HD3 PRO 58 HD1 PRO 58 -2.690 -15.270 -5.220 415 H GLN 59 HN GLN 59 -6.579 -11.303 -4.440 416 HA GLN 59 HA GLN 59 -7.464 -11.038 -7.240 417 HB2 GLN 59 HB2 GLN 59 -9.010 -10.818 -4.657 418 HB3 GLN 59 HB1 GLN 59 -9.653 -10.290 -6.205 419 HG2 GLN 59 HG2 GLN 59 -9.351 -12.600 -7.055 420 HG3 GLN 59 HG1 GLN 59 -8.865 -13.086 -5.430 421 HE21 GLN 59 HE21 GLN 59 -11.169 -13.885 -7.093 422 HE22 GLN 59 HE22 GLN 59 -12.568 -13.567 -6.126 423 H ALA 60 HN ALA 60 -7.549 -9.033 -8.125 424 HA ALA 60 HA ALA 60 -6.299 -6.917 -6.598 425 HB1 ALA 60 HB1 ALA 60 -5.628 -7.349 -8.921 426 HB2 ALA 60 HB2 ALA 60 -6.186 -5.697 -8.671 427 HB3 ALA 60 HB3 ALA 60 -7.239 -6.872 -9.458 428 H ALA 61 HN ALA 61 -7.578 -5.950 -5.208 429 HA ALA 61 HA ALA 61 -10.115 -4.828 -6.200 430 HB1 ALA 61 HB1 ALA 61 -10.474 -6.385 -4.340 431 HB2 ALA 61 HB2 ALA 61 -10.860 -4.733 -3.865 432 HB3 ALA 61 HB3 ALA 61 -9.343 -5.465 -3.345 433 H ASN 62 HN ASN 62 -10.607 -2.686 -4.975 434 HA ASN 62 HA ASN 62 -10.055 -0.475 -4.920 435 HB2 ASN 62 HB2 ASN 62 -7.672 -1.576 -3.409 436 HB3 ASN 62 HB1 ASN 62 -8.109 0.126 -3.479 437 HD21 ASN 62 HD21 ASN 62 -7.883 -1.668 -1.200 438 HD22 ASN 62 HD22 ASN 62 -9.419 -1.614 -0.400 439 H VAL 63 HN VAL 63 -9.769 -0.556 -7.248 440 HA VAL 63 HA VAL 63 -6.983 -0.608 -8.171 441 HB VAL 63 HB VAL 63 -9.480 -0.514 -9.875 442 HG11 VAL 63 HG11 VAL 63 -7.991 -1.280 -11.657 443 HG12 VAL 63 HG12 VAL 63 -6.630 -1.264 -10.536 444 HG13 VAL 63 HG13 VAL 63 -7.428 0.246 -10.974 445 HG21 VAL 63 HG21 VAL 63 -9.153 -2.927 -10.224 446 HG22 VAL 63 HG22 VAL 63 -9.522 -2.549 -8.543 447 HG23 VAL 63 HG23 VAL 63 -7.865 -2.920 -9.020 448 H GLN 64 HN GLN 64 -6.231 1.380 -7.610 449 HA GLN 64 HA GLN 64 -7.814 3.738 -8.327 450 HB2 GLN 64 HB2 GLN 64 -5.271 3.598 -6.701 451 HB3 GLN 64 HB1 GLN 64 -6.368 4.964 -6.843 452 HG2 GLN 64 HG2 GLN 64 -8.114 3.698 -5.712 453 HG3 GLN 64 HG1 GLN 64 -7.029 2.315 -5.572 454 HE21 GLN 64 HE21 GLN 64 -7.832 5.457 -4.402 455 HE22 GLN 64 HE22 GLN 64 -6.783 5.457 -3.030 456 H LYS 65 HN LYS 65 -6.940 5.420 -9.544 457 HA LYS 65 HA LYS 65 -5.167 4.568 -11.638 458 HB2 LYS 65 HB2 LYS 65 -6.316 7.317 -11.088 459 HB3 LYS 65 HB1 LYS 65 -5.541 6.800 -12.575 460 HG2 LYS 65 HG2 LYS 65 -7.339 5.234 -13.004 461 HG3 LYS 65 HG1 LYS 65 -8.103 5.669 -11.472 462 HD2 LYS 65 HD2 LYS 65 -8.324 7.993 -12.277 463 HD3 LYS 65 HD1 LYS 65 -7.623 7.504 -13.819 464 HE2 LYS 65 HE2 LYS 65 -9.482 5.980 -14.200 465 HE3 LYS 65 HE1 LYS 65 -10.176 6.410 -12.637 466 HZ1 LYS 65 HZ1 LYS 65 -10.440 8.683 -13.418 467 HZ2 LYS 65 HZ2 LYS 65 -11.253 7.605 -14.441 468 HZ3 LYS 65 HZ3 LYS 65 -9.770 8.272 -14.921 469 H ALA 66 HN ALA 66 -3.044 4.862 -11.744 470 HA ALA 66 HA ALA 66 -1.746 6.576 -9.757 471 HB1 ALA 66 HB1 ALA 66 -0.560 4.475 -11.577 472 HB2 ALA 66 HB2 ALA 66 -0.942 4.268 -9.867 473 HB3 ALA 66 HB3 ALA 66 0.321 5.399 -10.359 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -2.978 -3.915 -1.133 2 H2 MET 1 HT2 MET 1 -1.334 -4.208 -1.494 3 H3 MET 1 HT3 MET 1 -2.437 -3.902 -2.739 4 HA MET 1 HA MET 1 -2.738 -1.675 -2.108 5 HB2 MET 1 HB2 MET 1 -1.626 -0.733 -0.131 6 HB3 MET 1 HB1 MET 1 -2.727 -2.030 0.310 7 HG2 MET 1 HG2 MET 1 -0.825 -3.562 0.506 8 HG3 MET 1 HG1 MET 1 0.270 -2.245 0.097 9 HE1 MET 1 HE1 MET 1 -1.118 0.195 1.635 10 HE2 MET 1 HE2 MET 1 0.622 -0.086 1.645 11 HE3 MET 1 HE3 MET 1 -0.238 0.172 3.164 12 H GLU 2 HN GLU 2 -0.974 -3.202 -3.831 13 HA GLU 2 HA GLU 2 1.557 -1.724 -3.602 14 HB2 GLU 2 HB2 GLU 2 1.009 -4.189 -5.259 15 HB3 GLU 2 HB1 GLU 2 2.570 -3.436 -4.985 16 HG2 GLU 2 HG2 GLU 2 2.600 -5.278 -3.592 17 HG3 GLU 2 HG1 GLU 2 2.158 -3.961 -2.505 18 H GLN 3 HN GLN 3 2.596 -1.123 -5.658 19 HA GLN 3 HA GLN 3 0.665 -0.166 -7.641 20 HB2 GLN 3 HB2 GLN 3 3.618 0.454 -7.407 21 HB3 GLN 3 HB1 GLN 3 2.460 1.252 -8.460 22 HG2 GLN 3 HG2 GLN 3 1.277 2.097 -6.469 23 HG3 GLN 3 HG1 GLN 3 2.515 1.360 -5.451 24 HE21 GLN 3 HE21 GLN 3 3.190 3.329 -4.602 25 HE22 GLN 3 HE22 GLN 3 4.083 4.483 -5.537 26 H GLY 4 HN GLY 4 0.316 -1.519 -9.308 27 HA2 GLY 4 HA2 GLY 4 2.574 -3.250 -10.123 28 HA3 GLY 4 HA1 GLY 4 0.918 -3.832 -10.026 29 H THR 5 HN THR 5 2.475 -4.074 -12.296 30 HA THR 5 HA THR 5 1.419 -2.075 -14.159 31 HB THR 5 HB THR 5 3.294 -4.353 -14.805 32 HG1 THR 5 HG1 THR 5 3.767 -2.188 -13.275 33 HG21 THR 5 HG21 THR 5 2.772 -1.697 -16.146 34 HG22 THR 5 HG22 THR 5 2.236 -3.277 -16.725 35 HG23 THR 5 HG23 THR 5 3.958 -2.895 -16.668 36 H VAL 6 HN VAL 6 -0.248 -2.528 -15.494 37 HA VAL 6 HA VAL 6 -1.722 -4.945 -15.185 38 HB VAL 6 HB VAL 6 -2.018 -2.795 -17.294 39 HG11 VAL 6 HG11 VAL 6 -3.098 -4.899 -17.929 40 HG12 VAL 6 HG12 VAL 6 -4.288 -3.643 -17.576 41 HG13 VAL 6 HG13 VAL 6 -3.969 -4.915 -16.394 42 HG21 VAL 6 HG21 VAL 6 -2.231 -1.914 -15.025 43 HG22 VAL 6 HG22 VAL 6 -3.439 -3.145 -14.657 44 HG23 VAL 6 HG23 VAL 6 -3.784 -1.906 -15.861 45 H LYS 7 HN LYS 7 -1.240 -6.834 -16.063 46 HA LYS 7 HA LYS 7 0.589 -7.168 -18.225 47 HB2 LYS 7 HB2 LYS 7 -1.399 -9.112 -17.026 48 HB3 LYS 7 HB1 LYS 7 -0.128 -9.544 -18.158 49 HG2 LYS 7 HG2 LYS 7 0.371 -8.345 -15.447 50 HG3 LYS 7 HG1 LYS 7 0.359 -10.077 -15.786 51 HD2 LYS 7 HD2 LYS 7 2.123 -9.564 -17.562 52 HD3 LYS 7 HD1 LYS 7 2.272 -7.986 -16.783 53 HE2 LYS 7 HE2 LYS 7 2.723 -9.135 -14.642 54 HE3 LYS 7 HE1 LYS 7 2.678 -10.677 -15.493 55 HZ1 LYS 7 HZ1 LYS 7 4.595 -8.467 -15.999 56 HZ2 LYS 7 HZ2 LYS 7 4.556 -9.951 -16.830 57 HZ3 LYS 7 HZ3 LYS 7 4.931 -9.915 -15.175 58 H TRP 8 HN TRP 8 -2.734 -8.317 -18.028 59 HA TRP 8 HA TRP 8 -3.410 -7.113 -20.592 60 HB2 TRP 8 HB2 TRP 8 -3.664 -10.076 -19.996 61 HB3 TRP 8 HB1 TRP 8 -4.430 -9.274 -21.359 62 HD1 TRP 8 HD1 TRP 8 -2.769 -8.346 -23.310 63 HE1 TRP 8 HE1 TRP 8 -0.445 -9.166 -24.056 64 HE3 TRP 8 HE3 TRP 8 -1.534 -11.101 -19.187 65 HZ2 TRP 8 HZ2 TRP 8 1.635 -10.771 -23.020 66 HZ3 TRP 8 HZ3 TRP 8 0.640 -12.253 -19.146 67 HH2 TRP 8 HH2 TRP 8 2.189 -12.091 -21.024 68 H PHE 9 HN PHE 9 -5.394 -6.224 -20.451 69 HA PHE 9 HA PHE 9 -7.074 -7.099 -18.199 70 HB2 PHE 9 HB2 PHE 9 -6.415 -4.719 -18.157 71 HB3 PHE 9 HB1 PHE 9 -7.174 -4.494 -19.730 72 HD1 PHE 9 HD2 PHE 9 -8.083 -5.900 -16.394 73 HD2 PHE 9 HD1 PHE 9 -9.242 -3.516 -19.719 74 HE1 PHE 9 HE2 PHE 9 -10.225 -5.410 -15.289 75 HE2 PHE 9 HE1 PHE 9 -11.388 -3.018 -18.623 76 HZ PHE 9 HZ PHE 9 -11.882 -3.969 -16.405 77 H ASN 10 HN ASN 10 -8.394 -8.633 -18.898 78 HA ASN 10 HA ASN 10 -9.517 -8.547 -21.560 79 HB2 ASN 10 HB2 ASN 10 -9.879 -10.518 -19.293 80 HB3 ASN 10 HB1 ASN 10 -10.654 -10.674 -20.864 81 HD21 ASN 10 HD21 ASN 10 -7.652 -10.848 -19.120 82 HD22 ASN 10 HD22 ASN 10 -6.754 -11.645 -20.361 83 H ALA 11 HN ALA 11 -10.633 -6.519 -21.205 84 HA ALA 11 HA ALA 11 -12.712 -6.145 -19.368 85 HB1 ALA 11 HB1 ALA 11 -11.785 -4.317 -20.670 86 HB2 ALA 11 HB2 ALA 11 -13.527 -4.416 -20.911 87 HB3 ALA 11 HB3 ALA 11 -12.430 -5.018 -22.151 88 H GLU 12 HN GLU 12 -12.583 -7.827 -22.401 89 HA GLU 12 HA GLU 12 -15.335 -8.169 -22.886 90 HB2 GLU 12 HB2 GLU 12 -13.137 -10.120 -23.560 91 HB3 GLU 12 HB1 GLU 12 -14.674 -9.919 -24.385 92 HG2 GLU 12 HG2 GLU 12 -14.003 -7.812 -25.274 93 HG3 GLU 12 HG1 GLU 12 -12.536 -7.809 -24.291 94 H LYS 13 HN LYS 13 -13.001 -9.932 -20.936 95 HA LYS 13 HA LYS 13 -14.890 -12.090 -20.431 96 HB2 LYS 13 HB2 LYS 13 -12.027 -11.721 -19.529 97 HB3 LYS 13 HB1 LYS 13 -12.997 -13.164 -19.273 98 HG2 LYS 13 HG2 LYS 13 -12.237 -12.056 -21.970 99 HG3 LYS 13 HG1 LYS 13 -11.413 -13.380 -21.144 100 HD2 LYS 13 HD2 LYS 13 -13.465 -14.700 -21.185 101 HD3 LYS 13 HD1 LYS 13 -14.318 -13.371 -21.973 102 HE2 LYS 13 HE2 LYS 13 -11.924 -14.799 -23.126 103 HE3 LYS 13 HE1 LYS 13 -13.600 -15.162 -23.536 104 HZ1 LYS 13 HZ1 LYS 13 -13.828 -12.840 -24.288 105 HZ2 LYS 13 HZ2 LYS 13 -12.688 -13.713 -25.190 106 HZ3 LYS 13 HZ3 LYS 13 -12.168 -12.599 -24.019 107 H GLY 14 HN GLY 14 -13.590 -9.268 -18.921 108 HA2 GLY 14 HA2 GLY 14 -14.715 -8.175 -17.152 109 HA3 GLY 14 HA1 GLY 14 -15.405 -9.716 -16.670 110 H PHE 15 HN PHE 15 -12.026 -9.702 -17.355 111 HA PHE 15 HA PHE 15 -11.242 -9.067 -14.662 112 HB2 PHE 15 HB2 PHE 15 -10.299 -11.254 -14.100 113 HB3 PHE 15 HB1 PHE 15 -12.038 -11.359 -14.326 114 HD1 PHE 15 HD2 PHE 15 -8.764 -12.174 -15.804 115 HD2 PHE 15 HD1 PHE 15 -12.978 -12.721 -16.024 116 HE1 PHE 15 HE2 PHE 15 -8.437 -14.025 -17.390 117 HE2 PHE 15 HE1 PHE 15 -12.657 -14.575 -17.605 118 HZ PHE 15 HZ PHE 15 -10.386 -15.229 -18.290 119 H GLY 16 HN GLY 16 -8.882 -9.317 -14.349 120 HA2 GLY 16 HA2 GLY 16 -7.335 -9.509 -16.820 121 HA3 GLY 16 HA1 GLY 16 -7.308 -7.962 -15.984 122 H PHE 17 HN PHE 17 -4.942 -8.999 -16.270 123 HA PHE 17 HA PHE 17 -4.323 -10.112 -13.613 124 HB2 PHE 17 HB2 PHE 17 -2.975 -10.704 -16.257 125 HB3 PHE 17 HB1 PHE 17 -2.306 -11.163 -14.694 126 HD1 PHE 17 HD1 PHE 17 -3.484 -12.816 -13.288 127 HD2 PHE 17 HD2 PHE 17 -4.722 -11.943 -17.264 128 HE1 PHE 17 HE1 PHE 17 -4.792 -14.899 -13.331 129 HE2 PHE 17 HE2 PHE 17 -6.034 -14.025 -17.321 130 HZ PHE 17 HZ PHE 17 -6.072 -15.508 -15.349 131 H ILE 18 HN ILE 18 -2.954 -8.976 -12.424 132 HA ILE 18 HA ILE 18 -1.344 -6.875 -13.733 133 HB ILE 18 HB ILE 18 -2.478 -6.715 -10.930 134 HG12 ILE 18 HG12 ILE 18 -3.516 -5.322 -13.412 135 HG13 ILE 18 HG11 ILE 18 -4.285 -6.717 -12.663 136 HG21 ILE 18 HG21 ILE 18 -1.880 -4.348 -11.114 137 HG22 ILE 18 HG22 ILE 18 -1.217 -4.646 -12.720 138 HG23 ILE 18 HG23 ILE 18 -0.476 -5.397 -11.307 139 HD11 ILE 18 HD11 ILE 18 -5.377 -4.633 -12.038 140 HD12 ILE 18 HD12 ILE 18 -3.863 -4.040 -11.356 141 HD13 ILE 18 HD13 ILE 18 -4.666 -5.433 -10.635 142 H GLU 19 HN GLU 19 0.787 -6.592 -12.883 143 HA GLU 19 HA GLU 19 1.699 -8.943 -11.391 144 HB2 GLU 19 HB2 GLU 19 3.952 -8.376 -12.190 145 HB3 GLU 19 HB1 GLU 19 2.817 -8.604 -13.511 146 HG2 GLU 19 HG2 GLU 19 2.618 -6.184 -13.762 147 HG3 GLU 19 HG1 GLU 19 3.755 -5.954 -12.435 148 H ARG 20 HN ARG 20 2.313 -8.831 -9.381 149 HA ARG 20 HA ARG 20 2.969 -6.240 -8.168 150 HB2 ARG 20 HB2 ARG 20 1.378 -7.746 -6.978 151 HB3 ARG 20 HB1 ARG 20 2.630 -8.977 -6.893 152 HG2 ARG 20 HG2 ARG 20 3.991 -7.125 -5.678 153 HG3 ARG 20 HG1 ARG 20 2.410 -6.390 -5.423 154 HD2 ARG 20 HD2 ARG 20 3.210 -9.180 -4.603 155 HD3 ARG 20 HD1 ARG 20 3.082 -7.791 -3.528 156 HE ARG 20 HE ARG 20 0.646 -7.763 -4.254 157 HH11 ARG 20 HH11 ARG 20 2.598 -10.673 -3.987 158 HH12 ARG 20 HH12 ARG 20 1.230 -11.715 -3.725 159 HH21 ARG 20 HH21 ARG 20 -1.149 -9.169 -3.924 160 HH22 ARG 20 HH22 ARG 20 -0.882 -10.871 -3.711 161 H GLU 21 HN GLU 21 5.003 -6.006 -7.041 162 HA GLU 21 HA GLU 21 7.275 -6.913 -8.312 163 HB2 GLU 21 HB2 GLU 21 7.068 -6.212 -5.378 164 HB3 GLU 21 HB1 GLU 21 8.524 -6.169 -6.362 165 HG2 GLU 21 HG2 GLU 21 7.551 -4.378 -7.715 166 HG3 GLU 21 HG1 GLU 21 6.101 -4.417 -6.712 167 H ASN 22 HN ASN 22 5.487 -8.368 -5.660 168 HA ASN 22 HA ASN 22 7.080 -10.816 -6.025 169 HB2 ASN 22 HB2 ASN 22 7.296 -9.571 -3.757 170 HB3 ASN 22 HB1 ASN 22 5.658 -10.141 -3.451 171 HD21 ASN 22 HD21 ASN 22 8.983 -10.983 -3.702 172 HD22 ASN 22 HD22 ASN 22 8.828 -12.618 -3.139 173 H GLY 23 HN GLY 23 5.170 -10.649 -7.751 174 HA2 GLY 23 HA2 GLY 23 3.515 -12.808 -7.423 175 HA3 GLY 23 HA1 GLY 23 2.582 -11.449 -6.801 176 H ASP 24 HN ASP 24 4.210 -12.747 -9.620 177 HA ASP 24 HA ASP 24 3.800 -10.516 -11.312 178 HB2 ASP 24 HB2 ASP 24 5.565 -12.254 -11.587 179 HB3 ASP 24 HB1 ASP 24 4.321 -13.382 -12.111 180 H ASP 25 HN ASP 25 1.480 -12.542 -10.135 181 HA ASP 25 HA ASP 25 -0.310 -11.868 -12.322 182 HB2 ASP 25 HB2 ASP 25 -1.193 -14.122 -12.599 183 HB3 ASP 25 HB1 ASP 25 0.524 -14.079 -12.963 184 H VAL 26 HN VAL 26 -1.365 -10.486 -10.991 185 HA VAL 26 HA VAL 26 -2.863 -11.654 -8.747 186 HB VAL 26 HB VAL 26 -2.636 -8.734 -9.520 187 HG11 VAL 26 HG11 VAL 26 -3.675 -10.078 -7.025 188 HG12 VAL 26 HG12 VAL 26 -4.628 -9.216 -8.237 189 HG13 VAL 26 HG13 VAL 26 -3.471 -8.337 -7.231 190 HG21 VAL 26 HG21 VAL 26 -0.444 -9.609 -8.898 191 HG22 VAL 26 HG22 VAL 26 -1.118 -10.254 -7.401 192 HG23 VAL 26 HG23 VAL 26 -1.057 -8.511 -7.660 193 H PHE 27 HN PHE 27 -4.997 -12.026 -8.942 194 HA PHE 27 HA PHE 27 -6.216 -11.609 -11.535 195 HB2 PHE 27 HB2 PHE 27 -6.397 -13.744 -10.186 196 HB3 PHE 27 HB1 PHE 27 -7.441 -12.870 -9.074 197 HD1 PHE 27 HD2 PHE 27 -7.127 -14.243 -12.458 198 HD2 PHE 27 HD1 PHE 27 -9.708 -12.367 -9.644 199 HE1 PHE 27 HE2 PHE 27 -9.063 -14.810 -13.865 200 HE2 PHE 27 HE1 PHE 27 -11.649 -12.927 -11.044 201 HZ PHE 27 HZ PHE 27 -11.329 -14.149 -13.160 202 H VAL 28 HN VAL 28 -7.040 -9.635 -11.930 203 HA VAL 28 HA VAL 28 -8.220 -8.151 -9.694 204 HB VAL 28 HB VAL 28 -6.436 -7.026 -10.992 205 HG11 VAL 28 HG11 VAL 28 -6.878 -7.942 -13.193 206 HG12 VAL 28 HG12 VAL 28 -6.922 -6.180 -13.240 207 HG13 VAL 28 HG13 VAL 28 -8.429 -7.099 -13.253 208 HG21 VAL 28 HG21 VAL 28 -8.068 -5.698 -9.792 209 HG22 VAL 28 HG22 VAL 28 -9.151 -5.736 -11.180 210 HG23 VAL 28 HG23 VAL 28 -7.608 -4.892 -11.290 211 H HIS 29 HN HIS 29 -10.255 -7.319 -9.732 212 HA HIS 29 HA HIS 29 -12.098 -8.510 -11.673 213 HB2 HIS 29 HB2 HIS 29 -12.511 -7.232 -8.970 214 HB3 HIS 29 HB1 HIS 29 -13.849 -7.630 -10.040 215 HD1 HIS 29 HD1 HIS 29 -10.928 -9.440 -8.385 216 HD2 HIS 29 HD2 HIS 29 -14.824 -10.109 -9.654 217 HE1 HIS 29 HE1 HIS 29 -11.481 -11.778 -7.655 218 HE2 HIS 29 HE2 HIS 29 -13.791 -12.214 -8.569 219 H PHE 30 HN PHE 30 -13.232 -7.303 -13.109 220 HA PHE 30 HA PHE 30 -12.265 -4.731 -13.754 221 HB2 PHE 30 HB2 PHE 30 -13.795 -4.732 -15.560 222 HB3 PHE 30 HB1 PHE 30 -13.332 -6.416 -15.340 223 HD1 PHE 30 HD1 PHE 30 -14.965 -7.767 -13.711 224 HD2 PHE 30 HD2 PHE 30 -16.002 -4.253 -15.875 225 HE1 PHE 30 HE1 PHE 30 -17.342 -8.392 -13.578 226 HE2 PHE 30 HE2 PHE 30 -18.379 -4.869 -15.747 227 HZ PHE 30 HZ PHE 30 -19.054 -6.942 -14.597 228 H SER 31 HN SER 31 -14.875 -5.781 -11.720 229 HA SER 31 HA SER 31 -16.053 -3.132 -11.600 230 HB2 SER 31 HB2 SER 31 -17.494 -5.157 -11.602 231 HB3 SER 31 HB1 SER 31 -16.772 -5.646 -10.070 232 HG SER 31 HG SER 31 -18.229 -3.241 -10.532 233 H ALA 32 HN ALA 32 -13.600 -4.888 -10.038 234 HA ALA 32 HA ALA 32 -13.811 -3.511 -7.497 235 HB1 ALA 32 HB1 ALA 32 -12.939 -5.807 -7.569 236 HB2 ALA 32 HB2 ALA 32 -11.759 -4.680 -6.898 237 HB3 ALA 32 HB3 ALA 32 -11.587 -5.253 -8.555 238 H ILE 33 HN ILE 33 -12.238 -3.140 -10.545 239 HA ILE 33 HA ILE 33 -10.463 -1.037 -9.725 240 HB ILE 33 HB ILE 33 -11.544 -1.603 -12.497 241 HG12 ILE 33 HG12 ILE 33 -9.009 -2.630 -11.203 242 HG13 ILE 33 HG11 ILE 33 -10.454 -3.590 -11.502 243 HG21 ILE 33 HG21 ILE 33 -9.069 -0.134 -11.592 244 HG22 ILE 33 HG22 ILE 33 -10.523 0.596 -12.274 245 HG23 ILE 33 HG23 ILE 33 -9.519 -0.461 -13.265 246 HD11 ILE 33 HD11 ILE 33 -10.175 -3.261 -13.900 247 HD12 ILE 33 HD12 ILE 33 -8.753 -4.013 -13.180 248 HD13 ILE 33 HD13 ILE 33 -8.729 -2.300 -13.603 249 H GLN 34 HN GLN 34 -10.873 1.153 -9.651 250 HA GLN 34 HA GLN 34 -13.602 2.011 -9.743 251 HB2 GLN 34 HB2 GLN 34 -12.469 4.340 -9.422 252 HB3 GLN 34 HB1 GLN 34 -12.483 3.173 -8.112 253 HG2 GLN 34 HG2 GLN 34 -10.338 4.258 -8.252 254 HG3 GLN 34 HG1 GLN 34 -10.174 2.552 -8.651 255 HE21 GLN 34 HE21 GLN 34 -9.471 1.972 -10.673 256 HE22 GLN 34 HE22 GLN 34 -8.915 3.111 -11.847 257 H GLY 35 HN GLY 35 -13.560 1.131 -12.091 258 HA2 GLY 35 HA2 GLY 35 -12.456 2.778 -14.131 259 HA3 GLY 35 HA1 GLY 35 -13.694 1.552 -14.345 260 H ASP 36 HN ASP 36 -13.288 4.414 -15.291 261 HA ASP 36 HA ASP 36 -15.545 5.841 -14.240 262 HB2 ASP 36 HB2 ASP 36 -13.872 6.328 -16.719 263 HB3 ASP 36 HB1 ASP 36 -15.091 7.431 -16.096 264 H GLY 37 HN GLY 37 -17.246 4.340 -14.530 265 HA2 GLY 37 HA2 GLY 37 -19.115 3.584 -15.663 266 HA3 GLY 37 HA1 GLY 37 -18.551 4.448 -17.084 267 H PHE 38 HN PHE 38 -16.619 3.460 -18.154 268 HA PHE 38 HA PHE 38 -16.192 0.632 -17.728 269 HB2 PHE 38 HB2 PHE 38 -18.159 0.827 -19.328 270 HB3 PHE 38 HB1 PHE 38 -17.049 1.581 -20.469 271 HD1 PHE 38 HD2 PHE 38 -17.845 -1.527 -18.665 272 HD2 PHE 38 HD1 PHE 38 -15.492 0.280 -21.718 273 HE1 PHE 38 HE2 PHE 38 -17.173 -3.755 -19.462 274 HE2 PHE 38 HE1 PHE 38 -14.818 -1.947 -22.519 275 HZ PHE 38 HZ PHE 38 -15.658 -3.967 -21.390 276 H LYS 39 HN LYS 39 -14.063 1.043 -17.300 277 HA LYS 39 HA LYS 39 -12.578 2.605 -19.307 278 HB2 LYS 39 HB2 LYS 39 -12.844 3.478 -16.870 279 HB3 LYS 39 HB1 LYS 39 -11.664 2.240 -16.464 280 HG2 LYS 39 HG2 LYS 39 -10.523 4.317 -16.765 281 HG3 LYS 39 HG1 LYS 39 -10.112 3.259 -18.118 282 HD2 LYS 39 HD2 LYS 39 -11.709 4.399 -19.535 283 HD3 LYS 39 HD1 LYS 39 -12.228 5.411 -18.184 284 HE2 LYS 39 HE2 LYS 39 -9.920 6.310 -18.043 285 HE3 LYS 39 HE1 LYS 39 -9.503 5.370 -19.475 286 HZ1 LYS 39 HZ1 LYS 39 -11.615 7.457 -19.378 287 HZ2 LYS 39 HZ2 LYS 39 -11.106 6.604 -20.752 288 HZ3 LYS 39 HZ3 LYS 39 -10.050 7.688 -19.987 289 H SER 40 HN SER 40 -11.332 1.382 -20.526 290 HA SER 40 HA SER 40 -10.457 -1.230 -19.638 291 HB2 SER 40 HB2 SER 40 -9.821 0.201 -22.227 292 HB3 SER 40 HB1 SER 40 -9.713 -1.531 -21.912 293 HG SER 40 HG SER 40 -12.100 0.020 -21.874 294 H LEU 41 HN LEU 41 -8.678 -1.433 -18.447 295 HA LEU 41 HA LEU 41 -6.671 0.606 -18.312 296 HB2 LEU 41 HB2 LEU 41 -6.900 -2.149 -17.117 297 HB3 LEU 41 HB1 LEU 41 -5.456 -1.179 -16.925 298 HG LEU 41 HG LEU 41 -6.765 -0.934 -14.950 299 HD11 LEU 41 HD11 LEU 41 -7.198 1.469 -14.907 300 HD12 LEU 41 HD12 LEU 41 -7.094 1.519 -16.668 301 HD13 LEU 41 HD13 LEU 41 -5.673 1.094 -15.712 302 HD21 LEU 41 HD21 LEU 41 -8.924 -1.636 -15.745 303 HD22 LEU 41 HD22 LEU 41 -9.061 -0.200 -16.759 304 HD23 LEU 41 HD23 LEU 41 -9.068 -0.044 -15.004 305 H ASP 42 HN ASP 42 -5.349 0.911 -19.945 306 HA ASP 42 HA ASP 42 -4.793 -0.900 -21.994 307 HB2 ASP 42 HB2 ASP 42 -4.550 1.518 -22.256 308 HB3 ASP 42 HB1 ASP 42 -3.227 1.529 -21.096 309 H GLU 43 HN GLU 43 -3.297 -2.428 -22.301 310 HA GLU 43 HA GLU 43 -1.891 -3.643 -20.252 311 HB2 GLU 43 HB2 GLU 43 -1.423 -3.650 -23.234 312 HB3 GLU 43 HB1 GLU 43 -0.476 -4.636 -22.132 313 HG2 GLU 43 HG2 GLU 43 -2.212 -5.962 -23.125 314 HG3 GLU 43 HG1 GLU 43 -2.530 -5.764 -21.405 315 H GLY 44 HN GLY 44 -0.114 -3.137 -19.157 316 HA2 GLY 44 HA2 GLY 44 2.162 -2.456 -19.024 317 HA3 GLY 44 HA1 GLY 44 1.924 -1.471 -20.458 318 H GLN 45 HN GLN 45 -0.718 -0.888 -18.615 319 HA GLN 45 HA GLN 45 0.367 1.624 -17.672 320 HB2 GLN 45 HB2 GLN 45 -1.907 1.471 -18.696 321 HB3 GLN 45 HB1 GLN 45 -2.424 0.502 -17.322 322 HG2 GLN 45 HG2 GLN 45 -3.143 2.790 -17.058 323 HG3 GLN 45 HG1 GLN 45 -1.951 2.379 -15.826 324 HE21 GLN 45 HE21 GLN 45 -1.323 4.508 -15.461 325 HE22 GLN 45 HE22 GLN 45 -0.431 5.423 -16.635 326 H ALA 46 HN ALA 46 0.392 2.300 -15.489 327 HA ALA 46 HA ALA 46 0.708 0.122 -13.581 328 HB1 ALA 46 HB1 ALA 46 2.436 1.865 -13.712 329 HB2 ALA 46 HB2 ALA 46 1.684 1.800 -12.119 330 HB3 ALA 46 HB3 ALA 46 1.238 3.074 -13.252 331 H VAL 47 HN VAL 47 -0.580 -0.189 -11.829 332 HA VAL 47 HA VAL 47 -2.710 1.749 -11.275 333 HB VAL 47 HB VAL 47 -4.331 -0.141 -10.931 334 HG11 VAL 47 HG11 VAL 47 -4.878 -0.413 -13.315 335 HG12 VAL 47 HG12 VAL 47 -3.298 0.248 -13.738 336 HG13 VAL 47 HG13 VAL 47 -4.481 1.258 -12.911 337 HG21 VAL 47 HG21 VAL 47 -3.872 -2.268 -12.073 338 HG22 VAL 47 HG22 VAL 47 -2.735 -1.964 -10.760 339 HG23 VAL 47 HG23 VAL 47 -2.238 -1.709 -12.432 340 H THR 48 HN THR 48 -3.556 1.622 -9.140 341 HA THR 48 HA THR 48 -1.724 0.267 -7.286 342 HB THR 48 HB THR 48 -2.608 1.892 -5.578 343 HG1 THR 48 HG1 THR 48 -3.442 3.670 -7.517 344 HG21 THR 48 HG21 THR 48 -0.472 2.224 -6.818 345 HG22 THR 48 HG22 THR 48 -1.231 3.723 -6.295 346 HG23 THR 48 HG23 THR 48 -1.351 3.216 -7.979 347 H PHE 49 HN PHE 49 -2.535 -1.639 -6.813 348 HA PHE 49 HA PHE 49 -5.435 -1.864 -6.363 349 HB2 PHE 49 HB2 PHE 49 -5.140 -4.264 -6.955 350 HB3 PHE 49 HB1 PHE 49 -4.707 -3.176 -8.269 351 HD1 PHE 49 HD1 PHE 49 -3.376 -5.405 -5.671 352 HD2 PHE 49 HD2 PHE 49 -2.482 -3.096 -9.120 353 HE1 PHE 49 HE1 PHE 49 -1.181 -6.506 -5.823 354 HE2 PHE 49 HE2 PHE 49 -0.281 -4.183 -9.279 355 HZ PHE 49 HZ PHE 49 0.373 -5.889 -7.630 356 H ASP 50 HN ASP 50 -6.180 -2.943 -4.530 357 HA ASP 50 HA ASP 50 -4.095 -3.623 -2.578 358 HB2 ASP 50 HB2 ASP 50 -6.020 -2.053 -1.972 359 HB3 ASP 50 HB1 ASP 50 -7.049 -3.485 -1.999 360 H VAL 51 HN VAL 51 -4.553 -5.602 -1.221 361 HA VAL 51 HA VAL 51 -5.280 -7.725 -3.125 362 HB VAL 51 HB VAL 51 -3.284 -7.830 -0.860 363 HG11 VAL 51 HG11 VAL 51 -2.692 -10.033 -1.750 364 HG12 VAL 51 HG12 VAL 51 -3.998 -9.909 -2.927 365 HG13 VAL 51 HG13 VAL 51 -4.367 -9.986 -1.204 366 HG21 VAL 51 HG21 VAL 51 -1.621 -8.029 -2.657 367 HG22 VAL 51 HG22 VAL 51 -2.483 -6.491 -2.714 368 HG23 VAL 51 HG23 VAL 51 -2.896 -7.775 -3.849 369 H GLU 52 HN GLU 52 -7.078 -8.748 -2.665 370 HA GLU 52 HA GLU 52 -7.748 -9.202 0.165 371 HB2 GLU 52 HB2 GLU 52 -9.459 -7.964 -1.146 372 HB3 GLU 52 HB1 GLU 52 -9.576 -9.332 -2.245 373 HG2 GLU 52 HG2 GLU 52 -10.513 -10.715 -0.575 374 HG3 GLU 52 HG1 GLU 52 -10.111 -9.564 0.698 375 H GLU 53 HN GLU 53 -7.081 -11.148 0.803 376 HA GLU 53 HA GLU 53 -6.393 -13.202 -1.030 377 HB2 GLU 53 HB2 GLU 53 -6.606 -13.112 1.961 378 HB3 GLU 53 HB1 GLU 53 -6.238 -14.606 1.110 379 HG2 GLU 53 HG2 GLU 53 -4.337 -13.288 0.018 380 HG3 GLU 53 HG1 GLU 53 -4.614 -12.100 1.293 381 H GLY 54 HN GLY 54 -7.451 -14.900 -1.750 382 HA2 GLY 54 HA2 GLY 54 -10.020 -15.608 -0.482 383 HA3 GLY 54 HA1 GLY 54 -9.695 -15.810 -2.203 384 H GLN 55 HN GLN 55 -10.223 -18.081 -1.895 385 HA GLN 55 HA GLN 55 -8.194 -19.579 -0.398 386 HB2 GLN 55 HB2 GLN 55 -10.635 -20.054 -0.041 387 HB3 GLN 55 HB1 GLN 55 -10.706 -20.641 -1.697 388 HG2 GLN 55 HG2 GLN 55 -9.112 -22.389 -1.176 389 HG3 GLN 55 HG1 GLN 55 -8.946 -21.774 0.468 390 HE21 GLN 55 HE21 GLN 55 -9.772 -24.401 -0.412 391 HE22 GLN 55 HE22 GLN 55 -11.359 -24.659 0.238 392 H ARG 56 HN ARG 56 -9.269 -18.859 -3.609 393 HA ARG 56 HA ARG 56 -7.506 -20.913 -4.730 394 HB2 ARG 56 HB2 ARG 56 -9.724 -19.256 -5.848 395 HB3 ARG 56 HB1 ARG 56 -8.490 -19.873 -6.937 396 HG2 ARG 56 HG2 ARG 56 -10.314 -21.476 -5.163 397 HG3 ARG 56 HG1 ARG 56 -10.328 -21.394 -6.927 398 HD2 ARG 56 HD2 ARG 56 -8.219 -22.611 -5.150 399 HD3 ARG 56 HD1 ARG 56 -9.247 -23.435 -6.321 400 HE ARG 56 HE ARG 56 -8.005 -21.995 -8.018 401 HH11 ARG 56 HH11 ARG 56 -6.557 -23.189 -5.043 402 HH12 ARG 56 HH12 ARG 56 -4.937 -23.128 -5.674 403 HH21 ARG 56 HH21 ARG 56 -5.890 -21.895 -8.818 404 HH22 ARG 56 HH22 ARG 56 -4.554 -22.399 -7.813 405 H GLY 57 HN GLY 57 -7.316 -17.771 -3.732 406 HA2 GLY 57 HA2 GLY 57 -4.769 -17.238 -4.253 407 HA3 GLY 57 HA1 GLY 57 -5.489 -16.899 -5.821 408 HA PRO 58 HA PRO 58 -5.981 -13.123 -3.187 409 HB2 PRO 58 HB2 PRO 58 -3.918 -11.678 -4.422 410 HB3 PRO 58 HB1 PRO 58 -3.857 -12.441 -2.834 411 HG2 PRO 58 HG2 PRO 58 -2.379 -13.169 -5.127 412 HG3 PRO 58 HG1 PRO 58 -2.482 -14.056 -3.598 413 HD2 PRO 58 HD2 PRO 58 -3.893 -14.535 -6.162 414 HD3 PRO 58 HD1 PRO 58 -3.437 -15.682 -4.886 415 H GLN 59 HN GLN 59 -7.688 -12.077 -3.972 416 HA GLN 59 HA GLN 59 -7.734 -11.353 -6.804 417 HB2 GLN 59 HB2 GLN 59 -10.116 -10.751 -6.378 418 HB3 GLN 59 HB1 GLN 59 -9.745 -12.439 -6.063 419 HG2 GLN 59 HG2 GLN 59 -9.715 -12.023 -3.681 420 HG3 GLN 59 HG1 GLN 59 -9.959 -10.299 -3.959 421 HE21 GLN 59 HE21 GLN 59 -11.971 -9.560 -4.584 422 HE22 GLN 59 HE22 GLN 59 -13.401 -10.520 -4.423 423 H ALA 60 HN ALA 60 -7.590 -9.315 -7.511 424 HA ALA 60 HA ALA 60 -6.629 -7.335 -5.672 425 HB1 ALA 60 HB1 ALA 60 -6.317 -5.939 -7.625 426 HB2 ALA 60 HB2 ALA 60 -7.277 -7.045 -8.605 427 HB3 ALA 60 HB3 ALA 60 -5.722 -7.565 -7.955 428 H ALA 61 HN ALA 61 -7.937 -6.272 -4.407 429 HA ALA 61 HA ALA 61 -10.517 -5.309 -5.460 430 HB1 ALA 61 HB1 ALA 61 -10.781 -6.808 -3.539 431 HB2 ALA 61 HB2 ALA 61 -11.254 -5.160 -3.126 432 HB3 ALA 61 HB3 ALA 61 -9.697 -5.789 -2.591 433 H ASN 62 HN ASN 62 -11.106 -3.116 -4.846 434 HA ASN 62 HA ASN 62 -10.621 -0.897 -4.966 435 HB2 ASN 62 HB2 ASN 62 -8.731 -1.736 -2.759 436 HB3 ASN 62 HB1 ASN 62 -8.993 -0.056 -3.211 437 HD21 ASN 62 HD21 ASN 62 -9.519 -1.355 -0.679 438 HD22 ASN 62 HD22 ASN 62 -11.213 -1.147 -0.375 439 H VAL 63 HN VAL 63 -9.822 -1.232 -7.121 440 HA VAL 63 HA VAL 63 -6.902 -0.972 -7.336 441 HB VAL 63 HB VAL 63 -8.829 -1.783 -9.514 442 HG11 VAL 63 HG11 VAL 63 -5.818 -1.897 -9.381 443 HG12 VAL 63 HG12 VAL 63 -6.769 -0.747 -10.323 444 HG13 VAL 63 HG13 VAL 63 -6.817 -2.466 -10.721 445 HG21 VAL 63 HG21 VAL 63 -7.050 -3.483 -7.771 446 HG22 VAL 63 HG22 VAL 63 -7.914 -4.056 -9.199 447 HG23 VAL 63 HG23 VAL 63 -8.814 -3.480 -7.795 448 H GLN 64 HN GLN 64 -6.361 1.065 -7.436 449 HA GLN 64 HA GLN 64 -8.120 3.007 -8.752 450 HB2 GLN 64 HB2 GLN 64 -5.711 3.493 -6.994 451 HB3 GLN 64 HB1 GLN 64 -6.877 4.689 -7.532 452 HG2 GLN 64 HG2 GLN 64 -8.421 4.095 -6.003 453 HG3 GLN 64 HG1 GLN 64 -7.977 2.390 -6.052 454 HE21 GLN 64 HE21 GLN 64 -5.166 2.827 -5.526 455 HE22 GLN 64 HE22 GLN 64 -5.048 3.294 -3.869 456 H LYS 65 HN LYS 65 -6.634 4.933 -9.665 457 HA LYS 65 HA LYS 65 -5.129 3.661 -11.815 458 HB2 LYS 65 HB2 LYS 65 -5.887 6.569 -11.447 459 HB3 LYS 65 HB1 LYS 65 -5.202 5.849 -12.898 460 HG2 LYS 65 HG2 LYS 65 -7.226 4.424 -13.085 461 HG3 LYS 65 HG1 LYS 65 -7.914 5.296 -11.713 462 HD2 LYS 65 HD2 LYS 65 -7.709 7.400 -12.981 463 HD3 LYS 65 HD1 LYS 65 -7.082 6.492 -14.355 464 HE2 LYS 65 HE2 LYS 65 -9.345 6.804 -14.845 465 HE3 LYS 65 HE1 LYS 65 -9.247 5.152 -14.241 466 HZ1 LYS 65 HZ1 LYS 65 -11.136 6.421 -13.335 467 HZ2 LYS 65 HZ2 LYS 65 -10.050 7.500 -12.607 468 HZ3 LYS 65 HZ3 LYS 65 -10.082 5.877 -12.118 469 H ALA 66 HN ALA 66 -3.000 4.208 -12.362 470 HA ALA 66 HA ALA 66 -1.502 5.934 -10.558 471 HB1 ALA 66 HB1 ALA 66 0.266 4.267 -10.244 472 HB2 ALA 66 HB2 ALA 66 -0.695 3.081 -11.126 473 HB3 ALA 66 HB3 ALA 66 -1.267 3.703 -9.578 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -2.684 -1.635 -2.923 2 H2 MET 1 HT2 MET 1 -3.130 -1.376 -1.311 3 H3 MET 1 HT3 MET 1 -1.641 -2.122 -1.674 4 HA MET 1 HA MET 1 -2.417 0.686 -2.226 5 HB2 MET 1 HB2 MET 1 -0.205 -0.449 -0.497 6 HB3 MET 1 HB1 MET 1 -0.582 1.252 -0.712 7 HG2 MET 1 HG2 MET 1 -1.443 0.650 1.384 8 HG3 MET 1 HG1 MET 1 -2.834 0.761 0.308 9 HE1 MET 1 HE1 MET 1 -2.834 -0.703 3.182 10 HE2 MET 1 HE2 MET 1 -3.798 -2.129 2.798 11 HE3 MET 1 HE3 MET 1 -4.258 -0.553 2.151 12 H GLU 2 HN GLU 2 -0.372 -2.006 -2.942 13 HA GLU 2 HA GLU 2 1.853 -0.702 -4.025 14 HB2 GLU 2 HB2 GLU 2 0.847 -3.344 -5.053 15 HB3 GLU 2 HB1 GLU 2 2.506 -2.798 -4.879 16 HG2 GLU 2 HG2 GLU 2 2.312 -4.313 -3.164 17 HG3 GLU 2 HG1 GLU 2 1.969 -2.793 -2.340 18 H GLN 3 HN GLN 3 2.384 -0.018 -6.039 19 HA GLN 3 HA GLN 3 0.233 0.178 -7.999 20 HB2 GLN 3 HB2 GLN 3 1.803 1.647 -9.254 21 HB3 GLN 3 HB1 GLN 3 1.434 2.237 -7.642 22 HG2 GLN 3 HG2 GLN 3 3.905 0.628 -8.156 23 HG3 GLN 3 HG1 GLN 3 3.856 2.355 -8.500 24 HE21 GLN 3 HE21 GLN 3 3.672 3.814 -6.813 25 HE22 GLN 3 HE22 GLN 3 3.974 3.364 -5.163 26 H GLY 4 HN GLY 4 0.091 -1.094 -9.707 27 HA2 GLY 4 HA2 GLY 4 2.486 -2.573 -10.575 28 HA3 GLY 4 HA1 GLY 4 0.994 -3.446 -10.242 29 H THR 5 HN THR 5 2.280 -3.489 -12.731 30 HA THR 5 HA THR 5 0.700 -1.712 -14.418 31 HB THR 5 HB THR 5 2.189 -3.025 -16.203 32 HG1 THR 5 HG1 THR 5 3.963 -3.893 -15.356 33 HG21 THR 5 HG21 THR 5 3.109 -0.778 -14.416 34 HG22 THR 5 HG22 THR 5 2.221 -0.631 -15.933 35 HG23 THR 5 HG23 THR 5 3.881 -1.223 -15.937 36 H VAL 6 HN VAL 6 -0.947 -2.362 -15.626 37 HA VAL 6 HA VAL 6 -2.086 -4.944 -15.284 38 HB VAL 6 HB VAL 6 -2.744 -2.891 -17.406 39 HG11 VAL 6 HG11 VAL 6 -4.370 -5.171 -16.282 40 HG12 VAL 6 HG12 VAL 6 -3.670 -5.087 -17.898 41 HG13 VAL 6 HG13 VAL 6 -4.952 -3.968 -17.433 42 HG21 VAL 6 HG21 VAL 6 -2.884 -1.911 -15.182 43 HG22 VAL 6 HG22 VAL 6 -3.906 -3.246 -14.648 44 HG23 VAL 6 HG23 VAL 6 -4.494 -2.124 -15.876 45 H LYS 7 HN LYS 7 -1.380 -6.759 -16.212 46 HA LYS 7 HA LYS 7 0.385 -6.651 -18.505 47 HB2 LYS 7 HB2 LYS 7 0.103 -8.371 -16.344 48 HB3 LYS 7 HB1 LYS 7 -0.538 -9.302 -17.687 49 HG2 LYS 7 HG2 LYS 7 2.220 -8.121 -17.437 50 HG3 LYS 7 HG1 LYS 7 1.777 -9.825 -17.405 51 HD2 LYS 7 HD2 LYS 7 2.515 -9.630 -19.565 52 HD3 LYS 7 HD1 LYS 7 0.803 -9.273 -19.791 53 HE2 LYS 7 HE2 LYS 7 2.144 -7.663 -21.004 54 HE3 LYS 7 HE1 LYS 7 1.307 -6.866 -19.673 55 HZ1 LYS 7 HZ1 LYS 7 3.377 -7.018 -18.377 56 HZ2 LYS 7 HZ2 LYS 7 3.562 -6.099 -19.789 57 HZ3 LYS 7 HZ3 LYS 7 4.162 -7.684 -19.726 58 H TRP 8 HN TRP 8 -2.558 -8.480 -17.732 59 HA TRP 8 HA TRP 8 -3.407 -8.190 -20.536 60 HB2 TRP 8 HB2 TRP 8 -3.593 -10.652 -18.783 61 HB3 TRP 8 HB1 TRP 8 -4.445 -10.474 -20.310 62 HD1 TRP 8 HD1 TRP 8 -1.121 -11.458 -18.871 63 HE1 TRP 8 HE1 TRP 8 0.483 -12.112 -20.776 64 HE3 TRP 8 HE3 TRP 8 -3.861 -9.778 -22.851 65 HZ2 TRP 8 HZ2 TRP 8 0.575 -11.932 -23.589 66 HZ3 TRP 8 HZ3 TRP 8 -2.940 -10.056 -25.114 67 HH2 TRP 8 HH2 TRP 8 -0.769 -11.110 -25.473 68 H PHE 9 HN PHE 9 -5.623 -7.897 -20.848 69 HA PHE 9 HA PHE 9 -7.312 -7.947 -18.471 70 HB2 PHE 9 HB2 PHE 9 -6.525 -5.598 -18.763 71 HB3 PHE 9 HB1 PHE 9 -7.269 -5.585 -20.359 72 HD1 PHE 9 HD2 PHE 9 -8.043 -6.096 -16.771 73 HD2 PHE 9 HD1 PHE 9 -9.498 -4.978 -20.609 74 HE1 PHE 9 HE2 PHE 9 -10.181 -5.429 -15.760 75 HE2 PHE 9 HE1 PHE 9 -11.642 -4.310 -19.604 76 HZ PHE 9 HZ PHE 9 -11.986 -4.534 -17.175 77 H ASN 10 HN ASN 10 -8.512 -9.636 -19.134 78 HA ASN 10 HA ASN 10 -9.560 -9.746 -21.826 79 HB2 ASN 10 HB2 ASN 10 -10.005 -11.534 -19.420 80 HB3 ASN 10 HB1 ASN 10 -10.717 -11.818 -21.005 81 HD21 ASN 10 HD21 ASN 10 -8.849 -13.440 -19.433 82 HD22 ASN 10 HD22 ASN 10 -7.475 -13.688 -20.451 83 H ALA 11 HN ALA 11 -10.708 -7.796 -21.821 84 HA ALA 11 HA ALA 11 -12.655 -7.023 -19.975 85 HB1 ALA 11 HB1 ALA 11 -11.707 -5.512 -21.651 86 HB2 ALA 11 HB2 ALA 11 -13.470 -5.520 -21.714 87 HB3 ALA 11 HB3 ALA 11 -12.540 -6.403 -22.924 88 H GLU 12 HN GLU 12 -12.831 -9.180 -22.724 89 HA GLU 12 HA GLU 12 -15.665 -9.295 -22.854 90 HB2 GLU 12 HB2 GLU 12 -13.641 -11.318 -23.825 91 HB3 GLU 12 HB1 GLU 12 -15.319 -11.191 -24.342 92 HG2 GLU 12 HG2 GLU 12 -14.861 -8.982 -25.280 93 HG3 GLU 12 HG1 GLU 12 -13.180 -9.113 -24.767 94 H LYS 13 HN LYS 13 -13.269 -10.918 -20.940 95 HA LYS 13 HA LYS 13 -15.202 -12.836 -19.892 96 HB2 LYS 13 HB2 LYS 13 -12.280 -12.370 -19.276 97 HB3 LYS 13 HB1 LYS 13 -13.269 -13.570 -18.459 98 HG2 LYS 13 HG2 LYS 13 -12.729 -13.507 -21.418 99 HG3 LYS 13 HG1 LYS 13 -11.872 -14.515 -20.251 100 HD2 LYS 13 HD2 LYS 13 -13.970 -15.625 -19.663 101 HD3 LYS 13 HD1 LYS 13 -14.837 -14.604 -20.812 102 HE2 LYS 13 HE2 LYS 13 -12.620 -16.520 -21.519 103 HE3 LYS 13 HE1 LYS 13 -14.341 -16.855 -21.699 104 HZ1 LYS 13 HZ1 LYS 13 -12.895 -14.644 -23.058 105 HZ2 LYS 13 HZ2 LYS 13 -14.522 -15.065 -23.277 106 HZ3 LYS 13 HZ3 LYS 13 -13.298 -16.126 -23.774 107 H GLY 14 HN GLY 14 -13.650 -9.840 -19.080 108 HA2 GLY 14 HA2 GLY 14 -14.463 -8.283 -17.523 109 HA3 GLY 14 HA1 GLY 14 -15.412 -9.559 -16.771 110 H PHE 15 HN PHE 15 -12.135 -10.282 -17.483 111 HA PHE 15 HA PHE 15 -11.346 -9.724 -14.721 112 HB2 PHE 15 HB2 PHE 15 -11.115 -12.442 -16.032 113 HB3 PHE 15 HB1 PHE 15 -10.408 -12.003 -14.480 114 HD1 PHE 15 HD1 PHE 15 -12.106 -11.059 -12.711 115 HD2 PHE 15 HD2 PHE 15 -13.186 -13.446 -16.068 116 HE1 PHE 15 HE1 PHE 15 -14.192 -11.705 -11.577 117 HE2 PHE 15 HE2 PHE 15 -15.275 -14.092 -14.940 118 HZ PHE 15 HZ PHE 15 -15.780 -13.222 -12.692 119 H GLY 16 HN GLY 16 -9.151 -9.427 -14.416 120 HA2 GLY 16 HA2 GLY 16 -7.517 -9.503 -16.870 121 HA3 GLY 16 HA1 GLY 16 -7.554 -8.069 -15.855 122 H PHE 17 HN PHE 17 -5.174 -9.176 -16.377 123 HA PHE 17 HA PHE 17 -4.444 -10.415 -13.813 124 HB2 PHE 17 HB2 PHE 17 -3.210 -11.047 -16.506 125 HB3 PHE 17 HB1 PHE 17 -2.729 -11.735 -14.957 126 HD1 PHE 17 HD1 PHE 17 -4.475 -13.095 -13.679 127 HD2 PHE 17 HD2 PHE 17 -4.855 -12.057 -17.789 128 HE1 PHE 17 HE1 PHE 17 -6.109 -14.908 -13.984 129 HE2 PHE 17 HE2 PHE 17 -6.490 -13.870 -18.100 130 HZ PHE 17 HZ PHE 17 -7.119 -15.297 -16.195 131 H ILE 18 HN ILE 18 -3.154 -9.141 -12.710 132 HA ILE 18 HA ILE 18 -1.605 -7.093 -14.160 133 HB ILE 18 HB ILE 18 -2.530 -7.076 -11.279 134 HG12 ILE 18 HG12 ILE 18 -3.548 -5.501 -13.656 135 HG13 ILE 18 HG11 ILE 18 -4.381 -6.859 -12.909 136 HG21 ILE 18 HG21 ILE 18 -1.810 -4.724 -11.294 137 HG22 ILE 18 HG22 ILE 18 -1.182 -4.938 -12.929 138 HG23 ILE 18 HG23 ILE 18 -0.465 -5.829 -11.584 139 HD11 ILE 18 HD11 ILE 18 -4.612 -5.600 -10.845 140 HD12 ILE 18 HD12 ILE 18 -5.309 -4.715 -12.203 141 HD13 ILE 18 HD13 ILE 18 -3.735 -4.248 -11.558 142 H GLU 19 HN GLU 19 0.584 -6.850 -13.749 143 HA GLU 19 HA GLU 19 1.838 -9.062 -12.318 144 HB2 GLU 19 HB2 GLU 19 3.961 -8.113 -13.338 145 HB3 GLU 19 HB1 GLU 19 2.779 -8.756 -14.468 146 HG2 GLU 19 HG2 GLU 19 2.008 -6.486 -14.955 147 HG3 GLU 19 HG1 GLU 19 3.202 -5.845 -13.828 148 H ARG 20 HN ARG 20 1.871 -8.692 -10.204 149 HA ARG 20 HA ARG 20 2.578 -6.030 -9.193 150 HB2 ARG 20 HB2 ARG 20 0.572 -7.346 -8.318 151 HB3 ARG 20 HB1 ARG 20 1.730 -8.447 -7.586 152 HG2 ARG 20 HG2 ARG 20 2.681 -6.524 -6.337 153 HG3 ARG 20 HG1 ARG 20 1.385 -5.521 -6.987 154 HD2 ARG 20 HD2 ARG 20 0.802 -6.255 -4.766 155 HD3 ARG 20 HD1 ARG 20 -0.266 -7.020 -5.939 156 HE ARG 20 HE ARG 20 1.342 -8.992 -5.686 157 HH11 ARG 20 HH11 ARG 20 0.556 -6.741 -3.106 158 HH12 ARG 20 HH12 ARG 20 0.874 -7.898 -1.840 159 HH21 ARG 20 HH21 ARG 20 1.729 -10.518 -4.015 160 HH22 ARG 20 HH22 ARG 20 1.516 -10.040 -2.356 161 H GLU 21 HN GLU 21 4.198 -5.900 -7.443 162 HA GLU 21 HA GLU 21 6.620 -7.034 -8.209 163 HB2 GLU 21 HB2 GLU 21 7.277 -6.281 -5.741 164 HB3 GLU 21 HB1 GLU 21 7.054 -5.141 -7.054 165 HG2 GLU 21 HG2 GLU 21 5.987 -4.270 -5.121 166 HG3 GLU 21 HG1 GLU 21 4.733 -4.755 -6.252 167 H ASN 22 HN ASN 22 4.397 -8.047 -5.665 168 HA ASN 22 HA ASN 22 5.950 -10.548 -5.450 169 HB2 ASN 22 HB2 ASN 22 4.235 -9.089 -3.447 170 HB3 ASN 22 HB1 ASN 22 4.568 -10.809 -3.271 171 HD21 ASN 22 HD21 ASN 22 5.851 -7.602 -3.083 172 HD22 ASN 22 HD22 ASN 22 7.377 -8.039 -2.379 173 H GLY 23 HN GLY 23 4.142 -10.039 -7.585 174 HA2 GLY 23 HA2 GLY 23 2.537 -12.387 -7.393 175 HA3 GLY 23 HA1 GLY 23 1.545 -10.942 -7.264 176 H ASP 24 HN ASP 24 3.773 -12.703 -9.325 177 HA ASP 24 HA ASP 24 3.714 -10.985 -11.557 178 HB2 ASP 24 HB2 ASP 24 5.411 -12.753 -11.167 179 HB3 ASP 24 HB1 ASP 24 4.190 -13.975 -11.499 180 H ASP 25 HN ASP 25 1.172 -12.616 -10.269 181 HA ASP 25 HA ASP 25 -0.390 -12.383 -12.690 182 HB2 ASP 25 HB2 ASP 25 0.573 -14.702 -12.807 183 HB3 ASP 25 HB1 ASP 25 -0.259 -15.071 -11.299 184 H VAL 26 HN VAL 26 -1.460 -10.801 -11.499 185 HA VAL 26 HA VAL 26 -2.949 -11.717 -9.140 186 HB VAL 26 HB VAL 26 -2.535 -8.897 -10.165 187 HG11 VAL 26 HG11 VAL 26 -3.460 -8.213 -7.992 188 HG12 VAL 26 HG12 VAL 26 -3.812 -9.902 -7.622 189 HG13 VAL 26 HG13 VAL 26 -4.631 -9.103 -8.966 190 HG21 VAL 26 HG21 VAL 26 -1.070 -8.637 -8.208 191 HG22 VAL 26 HG22 VAL 26 -0.469 -9.858 -9.330 192 HG23 VAL 26 HG23 VAL 26 -1.277 -10.350 -7.842 193 H PHE 27 HN PHE 27 -5.006 -12.162 -9.290 194 HA PHE 27 HA PHE 27 -6.384 -11.824 -11.816 195 HB2 PHE 27 HB2 PHE 27 -6.387 -13.960 -10.506 196 HB3 PHE 27 HB1 PHE 27 -7.312 -13.147 -9.254 197 HD1 PHE 27 HD2 PHE 27 -7.401 -14.131 -12.829 198 HD2 PHE 27 HD1 PHE 27 -9.634 -13.065 -9.367 199 HE1 PHE 27 HE2 PHE 27 -9.480 -14.775 -13.978 200 HE2 PHE 27 HE1 PHE 27 -11.716 -13.709 -10.508 201 HZ PHE 27 HZ PHE 27 -11.642 -14.563 -12.817 202 H VAL 28 HN VAL 28 -7.188 -9.798 -12.104 203 HA VAL 28 HA VAL 28 -8.387 -8.436 -9.805 204 HB VAL 28 HB VAL 28 -6.712 -7.220 -11.187 205 HG11 VAL 28 HG11 VAL 28 -7.266 -8.066 -13.377 206 HG12 VAL 28 HG12 VAL 28 -7.384 -6.309 -13.354 207 HG13 VAL 28 HG13 VAL 28 -8.847 -7.290 -13.307 208 HG21 VAL 28 HG21 VAL 28 -8.273 -5.991 -9.814 209 HG22 VAL 28 HG22 VAL 28 -9.474 -6.020 -11.103 210 HG23 VAL 28 HG23 VAL 28 -7.972 -5.118 -11.316 211 H HIS 29 HN HIS 29 -10.480 -7.563 -9.856 212 HA HIS 29 HA HIS 29 -12.294 -9.097 -11.587 213 HB2 HIS 29 HB2 HIS 29 -12.613 -7.922 -8.835 214 HB3 HIS 29 HB1 HIS 29 -14.006 -8.414 -9.787 215 HD1 HIS 29 HD1 HIS 29 -14.798 -10.639 -9.168 216 HD2 HIS 29 HD2 HIS 29 -10.680 -10.309 -8.685 217 HE1 HIS 29 HE1 HIS 29 -14.041 -12.864 -8.268 218 HE2 HIS 29 HE2 HIS 29 -11.589 -12.559 -7.769 219 H PHE 30 HN PHE 30 -13.864 -8.131 -12.781 220 HA PHE 30 HA PHE 30 -13.513 -5.567 -13.767 221 HB2 PHE 30 HB2 PHE 30 -15.778 -5.823 -14.766 222 HB3 PHE 30 HB1 PHE 30 -14.750 -7.228 -15.018 223 HD1 PHE 30 HD1 PHE 30 -15.165 -9.305 -13.720 224 HD2 PHE 30 HD2 PHE 30 -17.811 -5.977 -13.542 225 HE1 PHE 30 HE1 PHE 30 -16.917 -10.752 -12.782 226 HE2 PHE 30 HE2 PHE 30 -19.565 -7.422 -12.602 227 HZ PHE 30 HZ PHE 30 -19.119 -9.811 -12.219 228 H SER 31 HN SER 31 -15.532 -6.628 -11.082 229 HA SER 31 HA SER 31 -16.865 -4.081 -10.887 230 HB2 SER 31 HB2 SER 31 -18.025 -6.185 -10.314 231 HB3 SER 31 HB1 SER 31 -16.892 -6.437 -8.987 232 HG SER 31 HG SER 31 -17.679 -4.212 -8.326 233 H ALA 32 HN ALA 32 -13.883 -5.271 -9.887 234 HA ALA 32 HA ALA 32 -13.734 -3.563 -7.521 235 HB1 ALA 32 HB1 ALA 32 -11.682 -5.421 -8.726 236 HB2 ALA 32 HB2 ALA 32 -12.751 -5.793 -7.372 237 HB3 ALA 32 HB3 ALA 32 -11.514 -4.547 -7.202 238 H ILE 33 HN ILE 33 -12.875 -3.654 -10.848 239 HA ILE 33 HA ILE 33 -11.033 -1.417 -10.668 240 HB ILE 33 HB ILE 33 -12.207 -2.754 -13.112 241 HG12 ILE 33 HG12 ILE 33 -9.496 -3.136 -11.828 242 HG13 ILE 33 HG11 ILE 33 -10.836 -4.271 -11.706 243 HG21 ILE 33 HG21 ILE 33 -10.362 -1.679 -14.315 244 HG22 ILE 33 HG22 ILE 33 -9.874 -0.866 -12.828 245 HG23 ILE 33 HG23 ILE 33 -11.434 -0.496 -13.564 246 HD11 ILE 33 HD11 ILE 33 -9.228 -4.997 -13.363 247 HD12 ILE 33 HD12 ILE 33 -9.413 -3.475 -14.236 248 HD13 ILE 33 HD13 ILE 33 -10.769 -4.599 -14.129 249 H GLN 34 HN GLN 34 -11.684 0.652 -10.712 250 HA GLN 34 HA GLN 34 -14.379 1.282 -11.575 251 HB2 GLN 34 HB2 GLN 34 -13.568 3.697 -11.011 252 HB3 GLN 34 HB1 GLN 34 -13.928 2.574 -9.714 253 HG2 GLN 34 HG2 GLN 34 -11.976 3.533 -8.996 254 HG3 GLN 34 HG1 GLN 34 -11.384 2.073 -9.776 255 HE21 GLN 34 HE21 GLN 34 -9.369 2.867 -10.191 256 HE22 GLN 34 HE22 GLN 34 -9.069 4.117 -11.354 257 H GLY 35 HN GLY 35 -14.769 1.453 -13.640 258 HA2 GLY 35 HA2 GLY 35 -12.621 1.874 -15.522 259 HA3 GLY 35 HA1 GLY 35 -14.296 1.516 -15.909 260 H ASP 36 HN ASP 36 -12.443 4.136 -14.375 261 HA ASP 36 HA ASP 36 -14.264 6.142 -15.307 262 HB2 ASP 36 HB2 ASP 36 -13.049 6.497 -13.234 263 HB3 ASP 36 HB1 ASP 36 -11.509 6.368 -14.078 264 H GLY 37 HN GLY 37 -14.397 6.628 -17.383 265 HA2 GLY 37 HA2 GLY 37 -13.704 7.534 -19.407 266 HA3 GLY 37 HA1 GLY 37 -12.046 7.501 -18.825 267 H PHE 38 HN PHE 38 -11.488 4.976 -18.323 268 HA PHE 38 HA PHE 38 -12.039 3.555 -20.847 269 HB2 PHE 38 HB2 PHE 38 -9.534 3.417 -19.150 270 HB3 PHE 38 HB1 PHE 38 -9.814 2.543 -20.653 271 HD1 PHE 38 HD1 PHE 38 -10.093 3.879 -22.780 272 HD2 PHE 38 HD2 PHE 38 -8.652 5.574 -19.153 273 HE1 PHE 38 HE1 PHE 38 -9.120 5.750 -24.043 274 HE2 PHE 38 HE2 PHE 38 -7.680 7.449 -20.411 275 HZ PHE 38 HZ PHE 38 -7.913 7.538 -22.859 276 H LYS 39 HN LYS 39 -13.211 1.776 -20.563 277 HA LYS 39 HA LYS 39 -13.467 0.574 -17.944 278 HB2 LYS 39 HB2 LYS 39 -14.715 -0.019 -20.625 279 HB3 LYS 39 HB1 LYS 39 -14.938 -1.082 -19.244 280 HG2 LYS 39 HG2 LYS 39 -16.836 0.357 -19.412 281 HG3 LYS 39 HG1 LYS 39 -15.907 0.830 -17.993 282 HD2 LYS 39 HD2 LYS 39 -14.910 2.671 -19.270 283 HD3 LYS 39 HD1 LYS 39 -15.854 2.195 -20.683 284 HE2 LYS 39 HE2 LYS 39 -16.895 4.069 -19.507 285 HE3 LYS 39 HE1 LYS 39 -17.921 2.635 -19.463 286 HZ1 LYS 39 HZ1 LYS 39 -17.813 3.782 -17.315 287 HZ2 LYS 39 HZ2 LYS 39 -16.143 3.530 -17.251 288 HZ3 LYS 39 HZ3 LYS 39 -17.201 2.204 -17.208 289 H SER 40 HN SER 40 -11.900 -0.042 -20.991 290 HA SER 40 HA SER 40 -10.745 -2.521 -19.997 291 HB2 SER 40 HB2 SER 40 -9.641 -2.537 -22.280 292 HB3 SER 40 HB1 SER 40 -11.404 -2.596 -22.301 293 HG SER 40 HG SER 40 -9.676 -0.478 -22.966 294 H LEU 41 HN LEU 41 -8.988 -2.406 -18.747 295 HA LEU 41 HA LEU 41 -7.428 -0.040 -18.522 296 HB2 LEU 41 HB2 LEU 41 -6.989 -2.828 -17.468 297 HB3 LEU 41 HB1 LEU 41 -5.918 -1.485 -17.117 298 HG LEU 41 HG LEU 41 -8.817 -1.736 -16.314 299 HD11 LEU 41 HD11 LEU 41 -7.274 -3.065 -14.974 300 HD12 LEU 41 HD12 LEU 41 -7.913 -1.711 -14.047 301 HD13 LEU 41 HD13 LEU 41 -6.275 -1.641 -14.693 302 HD21 LEU 41 HD21 LEU 41 -8.327 0.570 -16.914 303 HD22 LEU 41 HD22 LEU 41 -6.892 0.550 -15.892 304 HD23 LEU 41 HD23 LEU 41 -8.492 0.411 -15.166 305 H ASP 42 HN ASP 42 -5.480 0.466 -19.331 306 HA ASP 42 HA ASP 42 -4.773 -0.749 -21.817 307 HB2 ASP 42 HB2 ASP 42 -4.658 1.707 -21.361 308 HB3 ASP 42 HB1 ASP 42 -3.315 1.402 -20.265 309 H GLU 43 HN GLU 43 -3.095 -2.079 -22.284 310 HA GLU 43 HA GLU 43 -1.850 -3.546 -20.219 311 HB2 GLU 43 HB2 GLU 43 -0.468 -4.507 -22.078 312 HB3 GLU 43 HB1 GLU 43 -2.205 -4.612 -22.328 313 HG2 GLU 43 HG2 GLU 43 -2.154 -2.777 -23.871 314 HG3 GLU 43 HG1 GLU 43 -0.450 -2.484 -23.529 315 H GLY 44 HN GLY 44 -0.273 -2.883 -18.934 316 HA2 GLY 44 HA2 GLY 44 1.978 -2.168 -18.594 317 HA3 GLY 44 HA1 GLY 44 1.873 -1.232 -20.079 318 H GLN 45 HN GLN 45 -0.966 -0.653 -18.618 319 HA GLN 45 HA GLN 45 -0.170 1.905 -17.617 320 HB2 GLN 45 HB2 GLN 45 -2.358 1.637 -18.642 321 HB3 GLN 45 HB1 GLN 45 -2.805 0.430 -17.445 322 HG2 GLN 45 HG2 GLN 45 -3.860 2.537 -16.940 323 HG3 GLN 45 HG1 GLN 45 -2.688 2.128 -15.690 324 HE21 GLN 45 HE21 GLN 45 -3.467 4.271 -18.299 325 HE22 GLN 45 HE22 GLN 45 -2.263 5.460 -17.949 326 H ALA 46 HN ALA 46 0.245 2.522 -15.576 327 HA ALA 46 HA ALA 46 0.470 0.427 -13.565 328 HB1 ALA 46 HB1 ALA 46 2.381 1.923 -13.937 329 HB2 ALA 46 HB2 ALA 46 1.764 2.050 -12.290 330 HB3 ALA 46 HB3 ALA 46 1.385 3.302 -13.471 331 H VAL 47 HN VAL 47 -1.012 0.120 -12.063 332 HA VAL 47 HA VAL 47 -2.723 2.383 -11.269 333 HB VAL 47 HB VAL 47 -4.586 0.759 -10.927 334 HG11 VAL 47 HG11 VAL 47 -4.556 2.153 -12.905 335 HG12 VAL 47 HG12 VAL 47 -5.183 0.554 -13.310 336 HG13 VAL 47 HG13 VAL 47 -3.530 0.991 -13.742 337 HG21 VAL 47 HG21 VAL 47 -4.485 -1.422 -12.046 338 HG22 VAL 47 HG22 VAL 47 -3.275 -1.292 -10.768 339 HG23 VAL 47 HG23 VAL 47 -2.794 -1.128 -12.458 340 H THR 48 HN THR 48 -3.508 2.295 -9.093 341 HA THR 48 HA THR 48 -1.754 0.713 -7.343 342 HB THR 48 HB THR 48 -2.250 2.407 -5.590 343 HG1 THR 48 HG1 THR 48 -3.292 4.108 -7.601 344 HG21 THR 48 HG21 THR 48 -0.257 2.588 -7.073 345 HG22 THR 48 HG22 THR 48 -0.826 4.142 -6.468 346 HG23 THR 48 HG23 THR 48 -1.185 3.656 -8.125 347 H PHE 49 HN PHE 49 -2.716 -1.003 -6.510 348 HA PHE 49 HA PHE 49 -5.605 -0.871 -5.964 349 HB2 PHE 49 HB2 PHE 49 -5.709 -3.273 -6.776 350 HB3 PHE 49 HB1 PHE 49 -5.453 -2.056 -8.023 351 HD1 PHE 49 HD1 PHE 49 -3.901 -4.778 -6.117 352 HD2 PHE 49 HD2 PHE 49 -3.388 -1.930 -9.235 353 HE1 PHE 49 HE1 PHE 49 -1.879 -5.964 -6.862 354 HE2 PHE 49 HE2 PHE 49 -1.365 -3.111 -9.986 355 HZ PHE 49 HZ PHE 49 -0.609 -5.132 -8.799 356 H ASP 50 HN ASP 50 -6.387 -2.469 -4.446 357 HA ASP 50 HA ASP 50 -4.289 -3.262 -2.521 358 HB2 ASP 50 HB2 ASP 50 -7.273 -2.981 -2.103 359 HB3 ASP 50 HB1 ASP 50 -6.125 -3.498 -0.874 360 H VAL 51 HN VAL 51 -3.668 -5.308 -2.603 361 HA VAL 51 HA VAL 51 -5.190 -7.242 -4.092 362 HB VAL 51 HB VAL 51 -2.654 -7.607 -2.489 363 HG11 VAL 51 HG11 VAL 51 -2.369 -9.667 -3.773 364 HG12 VAL 51 HG12 VAL 51 -3.926 -9.398 -4.555 365 HG13 VAL 51 HG13 VAL 51 -3.853 -9.711 -2.821 366 HG21 VAL 51 HG21 VAL 51 -1.518 -7.500 -4.645 367 HG22 VAL 51 HG22 VAL 51 -2.407 -6.010 -4.321 368 HG23 VAL 51 HG23 VAL 51 -3.061 -7.200 -5.448 369 H GLU 52 HN GLU 52 -6.756 -8.417 -3.301 370 HA GLU 52 HA GLU 52 -6.853 -8.951 -0.426 371 HB2 GLU 52 HB2 GLU 52 -8.869 -8.001 -1.640 372 HB3 GLU 52 HB1 GLU 52 -8.990 -9.540 -2.482 373 HG2 GLU 52 HG2 GLU 52 -10.516 -9.407 -0.581 374 HG3 GLU 52 HG1 GLU 52 -9.329 -10.699 -0.386 375 H GLU 53 HN GLU 53 -6.351 -10.900 0.323 376 HA GLU 53 HA GLU 53 -5.451 -12.891 -1.588 377 HB2 GLU 53 HB2 GLU 53 -4.530 -14.010 0.454 378 HB3 GLU 53 HB1 GLU 53 -3.925 -12.380 0.185 379 HG2 GLU 53 HG2 GLU 53 -5.586 -11.550 1.825 380 HG3 GLU 53 HG1 GLU 53 -6.028 -13.223 2.162 381 H GLY 54 HN GLY 54 -6.278 -14.912 -1.825 382 HA2 GLY 54 HA2 GLY 54 -8.251 -15.963 -0.006 383 HA3 GLY 54 HA1 GLY 54 -8.923 -15.459 -1.551 384 H GLN 55 HN GLN 55 -9.450 -17.855 -1.416 385 HA GLN 55 HA GLN 55 -7.529 -19.848 -1.749 386 HB2 GLN 55 HB2 GLN 55 -9.824 -20.406 -1.269 387 HB3 GLN 55 HB1 GLN 55 -10.361 -19.675 -2.775 388 HG2 GLN 55 HG2 GLN 55 -9.169 -21.389 -4.038 389 HG3 GLN 55 HG1 GLN 55 -8.627 -22.124 -2.528 390 HE21 GLN 55 HE21 GLN 55 -10.071 -23.281 -1.286 391 HE22 GLN 55 HE22 GLN 55 -11.631 -23.757 -1.869 392 H ARG 56 HN ARG 56 -9.060 -17.741 -4.143 393 HA ARG 56 HA ARG 56 -7.849 -19.081 -6.373 394 HB2 ARG 56 HB2 ARG 56 -9.251 -16.421 -6.137 395 HB3 ARG 56 HB1 ARG 56 -8.616 -17.044 -7.652 396 HG2 ARG 56 HG2 ARG 56 -10.827 -18.185 -5.972 397 HG3 ARG 56 HG1 ARG 56 -10.926 -17.540 -7.612 398 HD2 ARG 56 HD2 ARG 56 -9.688 -20.110 -6.677 399 HD3 ARG 56 HD1 ARG 56 -10.965 -19.875 -7.868 400 HE ARG 56 HE ARG 56 -8.736 -18.579 -8.864 401 HH11 ARG 56 HH11 ARG 56 -9.639 -21.859 -8.011 402 HH12 ARG 56 HH12 ARG 56 -8.486 -22.584 -9.093 403 HH21 ARG 56 HH21 ARG 56 -7.225 -19.513 -10.266 404 HH22 ARG 56 HH22 ARG 56 -7.125 -21.247 -10.402 405 H GLY 57 HN GLY 57 -6.404 -17.411 -4.037 406 HA2 GLY 57 HA2 GLY 57 -4.107 -16.896 -4.050 407 HA3 GLY 57 HA1 GLY 57 -4.186 -16.697 -5.795 408 HA PRO 58 HA PRO 58 -4.131 -12.423 -4.361 409 HB2 PRO 58 HB2 PRO 58 -2.855 -11.710 -6.816 410 HB3 PRO 58 HB1 PRO 58 -2.123 -11.841 -5.217 411 HG2 PRO 58 HG2 PRO 58 -1.561 -13.502 -7.357 412 HG3 PRO 58 HG1 PRO 58 -1.268 -13.902 -5.656 413 HD2 PRO 58 HD2 PRO 58 -3.525 -14.719 -7.434 414 HD3 PRO 58 HD1 PRO 58 -2.680 -15.653 -6.183 415 H GLN 59 HN GLN 59 -6.190 -11.672 -4.553 416 HA GLN 59 HA GLN 59 -7.193 -11.178 -7.279 417 HB2 GLN 59 HB2 GLN 59 -8.720 -11.412 -4.680 418 HB3 GLN 59 HB1 GLN 59 -9.440 -11.046 -6.242 419 HG2 GLN 59 HG2 GLN 59 -8.666 -13.222 -7.084 420 HG3 GLN 59 HG1 GLN 59 -8.017 -13.587 -5.484 421 HE21 GLN 59 HE21 GLN 59 -9.426 -13.985 -3.789 422 HE22 GLN 59 HE22 GLN 59 -11.090 -14.382 -4.043 423 H ALA 60 HN ALA 60 -7.077 -9.155 -7.943 424 HA ALA 60 HA ALA 60 -6.303 -7.087 -6.100 425 HB1 ALA 60 HB1 ALA 60 -6.877 -6.925 -9.057 426 HB2 ALA 60 HB2 ALA 60 -5.295 -7.180 -8.315 427 HB3 ALA 60 HB3 ALA 60 -6.148 -5.653 -8.075 428 H ALA 61 HN ALA 61 -7.646 -5.954 -4.942 429 HA ALA 61 HA ALA 61 -10.263 -5.215 -6.080 430 HB1 ALA 61 HB1 ALA 61 -11.128 -5.136 -3.790 431 HB2 ALA 61 HB2 ALA 61 -9.555 -5.639 -3.174 432 HB3 ALA 61 HB3 ALA 61 -10.502 -6.740 -4.172 433 H ASN 62 HN ASN 62 -11.061 -3.105 -5.014 434 HA ASN 62 HA ASN 62 -10.773 -0.835 -5.063 435 HB2 ASN 62 HB2 ASN 62 -8.405 -1.428 -3.272 436 HB3 ASN 62 HB1 ASN 62 -9.308 0.077 -3.364 437 HD21 ASN 62 HD21 ASN 62 -8.762 -1.482 -1.062 438 HD22 ASN 62 HD22 ASN 62 -10.282 -2.002 -0.407 439 H VAL 63 HN VAL 63 -10.112 -1.012 -7.346 440 HA VAL 63 HA VAL 63 -7.241 -0.745 -7.806 441 HB VAL 63 HB VAL 63 -9.470 -1.059 -9.821 442 HG11 VAL 63 HG11 VAL 63 -7.536 0.067 -10.771 443 HG12 VAL 63 HG12 VAL 63 -7.665 -1.575 -11.405 444 HG13 VAL 63 HG13 VAL 63 -6.476 -1.202 -10.157 445 HG21 VAL 63 HG21 VAL 63 -9.256 -3.037 -8.428 446 HG22 VAL 63 HG22 VAL 63 -7.519 -3.081 -8.722 447 HG23 VAL 63 HG23 VAL 63 -8.644 -3.366 -10.049 448 H GLN 64 HN GLN 64 -6.591 1.271 -7.471 449 HA GLN 64 HA GLN 64 -8.131 3.491 -8.632 450 HB2 GLN 64 HB2 GLN 64 -7.590 3.597 -6.204 451 HB3 GLN 64 HB1 GLN 64 -5.878 3.530 -6.599 452 HG2 GLN 64 HG2 GLN 64 -6.609 5.795 -6.078 453 HG3 GLN 64 HG1 GLN 64 -6.028 5.659 -7.737 454 HE21 GLN 64 HE21 GLN 64 -8.814 6.081 -5.700 455 HE22 GLN 64 HE22 GLN 64 -9.896 6.610 -6.951 456 H LYS 65 HN LYS 65 -6.727 5.247 -9.620 457 HA LYS 65 HA LYS 65 -4.860 4.033 -11.460 458 HB2 LYS 65 HB2 LYS 65 -5.547 6.958 -11.138 459 HB3 LYS 65 HB1 LYS 65 -4.760 6.208 -12.517 460 HG2 LYS 65 HG2 LYS 65 -6.823 4.928 -12.955 461 HG3 LYS 65 HG1 LYS 65 -7.604 5.783 -11.623 462 HD2 LYS 65 HD2 LYS 65 -7.027 7.928 -12.807 463 HD3 LYS 65 HD1 LYS 65 -6.522 6.949 -14.182 464 HE2 LYS 65 HE2 LYS 65 -8.774 6.000 -14.328 465 HE3 LYS 65 HE1 LYS 65 -9.280 6.990 -12.960 466 HZ1 LYS 65 HZ1 LYS 65 -9.975 8.188 -14.805 467 HZ2 LYS 65 HZ2 LYS 65 -8.580 7.834 -15.699 468 HZ3 LYS 65 HZ3 LYS 65 -8.502 8.937 -14.411 469 H ALA 66 HN ALA 66 -2.769 5.422 -11.881 470 HA ALA 66 HA ALA 66 -1.597 6.227 -9.303 471 HB1 ALA 66 HB1 ALA 66 -0.660 4.076 -9.837 472 HB2 ALA 66 HB2 ALA 66 0.577 5.308 -10.108 473 HB3 ALA 66 HB3 ALA 66 -0.281 4.601 -11.480 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -0.371 -1.637 0.277 2 H2 MET 1 HT2 MET 1 -1.480 -2.835 -0.166 3 H3 MET 1 HT3 MET 1 -2.011 -1.456 0.673 4 HA MET 1 HA MET 1 -2.571 -1.357 -1.686 5 HB2 MET 1 HB2 MET 1 -2.206 0.723 -0.442 6 HB3 MET 1 HB1 MET 1 -0.482 0.638 -0.773 7 HG2 MET 1 HG2 MET 1 -1.004 0.804 -3.198 8 HG3 MET 1 HG1 MET 1 -2.695 1.051 -2.769 9 HE1 MET 1 HE1 MET 1 0.941 2.539 -2.686 10 HE2 MET 1 HE2 MET 1 0.563 2.367 -0.975 11 HE3 MET 1 HE3 MET 1 0.716 3.973 -1.687 12 H GLU 2 HN GLU 2 -2.024 -2.410 -3.480 13 HA GLU 2 HA GLU 2 0.824 -2.799 -4.074 14 HB2 GLU 2 HB2 GLU 2 -1.566 -4.119 -5.374 15 HB3 GLU 2 HB1 GLU 2 0.121 -4.568 -5.570 16 HG2 GLU 2 HG2 GLU 2 -1.495 -4.797 -3.043 17 HG3 GLU 2 HG1 GLU 2 -1.033 -6.118 -4.114 18 H GLN 3 HN GLN 3 1.711 -2.175 -6.016 19 HA GLN 3 HA GLN 3 -0.007 -0.629 -7.835 20 HB2 GLN 3 HB2 GLN 3 2.877 -0.041 -7.128 21 HB3 GLN 3 HB1 GLN 3 1.903 0.852 -8.288 22 HG2 GLN 3 HG2 GLN 3 0.377 1.497 -6.465 23 HG3 GLN 3 HG1 GLN 3 1.426 0.660 -5.323 24 HE21 GLN 3 HE21 GLN 3 0.664 3.483 -5.474 25 HE22 GLN 3 HE22 GLN 3 2.146 4.366 -5.580 26 H GLY 4 HN GLY 4 -0.188 -1.732 -9.682 27 HA2 GLY 4 HA2 GLY 4 2.206 -3.086 -10.725 28 HA3 GLY 4 HA1 GLY 4 0.712 -3.997 -10.545 29 H THR 5 HN THR 5 1.945 -3.779 -12.985 30 HA THR 5 HA THR 5 0.360 -1.780 -14.445 31 HB THR 5 HB THR 5 2.756 -3.329 -15.453 32 HG1 THR 5 HG1 THR 5 2.653 -1.327 -13.692 33 HG21 THR 5 HG21 THR 5 1.346 -0.866 -16.493 34 HG22 THR 5 HG22 THR 5 1.320 -2.470 -17.227 35 HG23 THR 5 HG23 THR 5 2.824 -1.552 -17.163 36 H VAL 6 HN VAL 6 -1.238 -2.436 -15.765 37 HA VAL 6 HA VAL 6 -1.979 -5.188 -15.922 38 HB VAL 6 HB VAL 6 -2.999 -2.895 -17.610 39 HG11 VAL 6 HG11 VAL 6 -4.246 -5.555 -16.918 40 HG12 VAL 6 HG12 VAL 6 -3.581 -5.093 -18.485 41 HG13 VAL 6 HG13 VAL 6 -5.007 -4.268 -17.856 42 HG21 VAL 6 HG21 VAL 6 -4.798 -2.688 -15.961 43 HG22 VAL 6 HG22 VAL 6 -3.219 -2.366 -15.242 44 HG23 VAL 6 HG23 VAL 6 -4.019 -3.913 -14.959 45 H LYS 7 HN LYS 7 -1.152 -6.682 -17.261 46 HA LYS 7 HA LYS 7 0.369 -5.747 -19.592 47 HB2 LYS 7 HB2 LYS 7 0.281 -8.517 -18.389 48 HB3 LYS 7 HB1 LYS 7 1.383 -7.954 -19.639 49 HG2 LYS 7 HG2 LYS 7 2.241 -6.281 -17.960 50 HG3 LYS 7 HG1 LYS 7 1.304 -7.152 -16.745 51 HD2 LYS 7 HD2 LYS 7 3.476 -8.047 -16.616 52 HD3 LYS 7 HD1 LYS 7 2.535 -9.241 -17.511 53 HE2 LYS 7 HE2 LYS 7 4.670 -8.941 -18.586 54 HE3 LYS 7 HE1 LYS 7 3.402 -8.286 -19.620 55 HZ1 LYS 7 HZ1 LYS 7 3.958 -6.068 -18.860 56 HZ2 LYS 7 HZ2 LYS 7 5.334 -6.821 -19.503 57 HZ3 LYS 7 HZ3 LYS 7 5.148 -6.683 -17.823 58 H TRP 8 HN TRP 8 -2.359 -7.735 -18.672 59 HA TRP 8 HA TRP 8 -3.207 -7.797 -21.477 60 HB2 TRP 8 HB2 TRP 8 -3.209 -10.225 -19.658 61 HB3 TRP 8 HB1 TRP 8 -3.915 -10.156 -21.268 62 HD1 TRP 8 HD1 TRP 8 -2.070 -9.706 -23.322 63 HE1 TRP 8 HE1 TRP 8 0.334 -10.597 -23.541 64 HE3 TRP 8 HE3 TRP 8 -1.222 -10.943 -18.433 65 HZ2 TRP 8 HZ2 TRP 8 2.322 -11.692 -21.859 66 HZ3 TRP 8 HZ3 TRP 8 0.957 -11.911 -17.822 67 HH2 TRP 8 HH2 TRP 8 2.691 -12.278 -19.503 68 H PHE 9 HN PHE 9 -5.056 -6.667 -21.421 69 HA PHE 9 HA PHE 9 -6.874 -7.079 -19.156 70 HB2 PHE 9 HB2 PHE 9 -6.221 -4.738 -19.737 71 HB3 PHE 9 HB1 PHE 9 -6.992 -4.948 -21.304 72 HD1 PHE 9 HD2 PHE 9 -7.723 -5.180 -17.662 73 HD2 PHE 9 HD1 PHE 9 -9.211 -4.357 -21.564 74 HE1 PHE 9 HE2 PHE 9 -9.865 -4.458 -16.688 75 HE2 PHE 9 HE1 PHE 9 -11.354 -3.635 -20.596 76 HZ PHE 9 HZ PHE 9 -11.685 -3.684 -18.157 77 H ASN 10 HN ASN 10 -7.835 -8.998 -19.699 78 HA ASN 10 HA ASN 10 -8.840 -9.446 -22.363 79 HB2 ASN 10 HB2 ASN 10 -9.112 -11.072 -19.827 80 HB3 ASN 10 HB1 ASN 10 -9.737 -11.573 -21.395 81 HD21 ASN 10 HD21 ASN 10 -7.691 -12.780 -19.652 82 HD22 ASN 10 HD22 ASN 10 -6.269 -12.922 -20.631 83 H ALA 11 HN ALA 11 -10.250 -7.760 -22.639 84 HA ALA 11 HA ALA 11 -12.246 -6.945 -20.860 85 HB1 ALA 11 HB1 ALA 11 -12.261 -6.680 -23.862 86 HB2 ALA 11 HB2 ALA 11 -11.416 -5.603 -22.750 87 HB3 ALA 11 HB3 ALA 11 -13.176 -5.705 -22.711 88 H GLU 12 HN GLU 12 -12.348 -9.343 -23.472 89 HA GLU 12 HA GLU 12 -15.207 -9.677 -23.179 90 HB2 GLU 12 HB2 GLU 12 -13.185 -11.161 -24.855 91 HB3 GLU 12 HB1 GLU 12 -14.918 -11.472 -24.883 92 HG2 GLU 12 HG2 GLU 12 -15.268 -9.103 -25.539 93 HG3 GLU 12 HG1 GLU 12 -13.519 -8.924 -25.658 94 H LYS 13 HN LYS 13 -12.651 -10.678 -21.412 95 HA LYS 13 HA LYS 13 -14.051 -13.084 -20.479 96 HB2 LYS 13 HB2 LYS 13 -11.258 -12.044 -20.034 97 HB3 LYS 13 HB1 LYS 13 -11.948 -13.293 -19.009 98 HG2 LYS 13 HG2 LYS 13 -11.669 -13.502 -21.996 99 HG3 LYS 13 HG1 LYS 13 -10.515 -14.158 -20.833 100 HD2 LYS 13 HD2 LYS 13 -12.359 -15.505 -19.850 101 HD3 LYS 13 HD1 LYS 13 -13.420 -14.916 -21.127 102 HE2 LYS 13 HE2 LYS 13 -11.994 -15.927 -22.811 103 HE3 LYS 13 HE1 LYS 13 -10.875 -16.471 -21.564 104 HZ1 LYS 13 HZ1 LYS 13 -12.563 -17.901 -20.668 105 HZ2 LYS 13 HZ2 LYS 13 -12.417 -18.213 -22.334 106 HZ3 LYS 13 HZ3 LYS 13 -13.718 -17.301 -21.756 107 H GLY 14 HN GLY 14 -13.216 -9.816 -19.730 108 HA2 GLY 14 HA2 GLY 14 -14.074 -8.430 -18.079 109 HA3 GLY 14 HA1 GLY 14 -14.895 -9.819 -17.376 110 H PHE 15 HN PHE 15 -11.558 -10.127 -18.115 111 HA PHE 15 HA PHE 15 -10.828 -9.716 -15.305 112 HB2 PHE 15 HB2 PHE 15 -10.131 -12.198 -16.897 113 HB3 PHE 15 HB1 PHE 15 -9.614 -11.843 -15.255 114 HD1 PHE 15 HD1 PHE 15 -11.741 -11.215 -13.669 115 HD2 PHE 15 HD2 PHE 15 -11.802 -13.739 -17.096 116 HE1 PHE 15 HE1 PHE 15 -13.745 -12.345 -12.796 117 HE2 PHE 15 HE2 PHE 15 -13.806 -14.873 -16.229 118 HZ PHE 15 HZ PHE 15 -14.781 -14.177 -14.076 119 H GLY 16 HN GLY 16 -8.538 -9.440 -14.974 120 HA2 GLY 16 HA2 GLY 16 -6.991 -8.956 -17.427 121 HA3 GLY 16 HA1 GLY 16 -7.171 -7.651 -16.262 122 H PHE 17 HN PHE 17 -4.789 -9.139 -17.223 123 HA PHE 17 HA PHE 17 -3.871 -10.291 -14.683 124 HB2 PHE 17 HB2 PHE 17 -2.752 -10.546 -17.482 125 HB3 PHE 17 HB1 PHE 17 -1.963 -11.185 -16.046 126 HD1 PHE 17 HD1 PHE 17 -3.054 -12.999 -14.746 127 HD2 PHE 17 HD2 PHE 17 -4.555 -11.683 -18.506 128 HE1 PHE 17 HE1 PHE 17 -4.360 -15.074 -14.948 129 HE2 PHE 17 HE2 PHE 17 -5.863 -13.756 -18.711 130 HZ PHE 17 HZ PHE 17 -5.767 -15.454 -16.931 131 H ILE 18 HN ILE 18 -2.903 -8.907 -13.420 132 HA ILE 18 HA ILE 18 -1.359 -6.680 -14.574 133 HB ILE 18 HB ILE 18 -2.358 -7.037 -11.739 134 HG12 ILE 18 HG12 ILE 18 -3.508 -5.329 -13.956 135 HG13 ILE 18 HG11 ILE 18 -4.203 -6.844 -13.388 136 HG21 ILE 18 HG21 ILE 18 -1.243 -4.626 -13.158 137 HG22 ILE 18 HG22 ILE 18 -0.421 -5.579 -11.923 138 HG23 ILE 18 HG23 ILE 18 -1.865 -4.655 -11.508 139 HD11 ILE 18 HD11 ILE 18 -4.570 -5.855 -11.193 140 HD12 ILE 18 HD12 ILE 18 -5.369 -4.926 -12.460 141 HD13 ILE 18 HD13 ILE 18 -3.862 -4.340 -11.757 142 H GLU 19 HN GLU 19 0.849 -6.522 -14.173 143 HA GLU 19 HA GLU 19 2.059 -8.879 -13.000 144 HB2 GLU 19 HB2 GLU 19 4.164 -8.049 -13.801 145 HB3 GLU 19 HB1 GLU 19 2.970 -7.890 -15.077 146 HG2 GLU 19 HG2 GLU 19 2.771 -5.514 -14.624 147 HG3 GLU 19 HG1 GLU 19 3.921 -5.661 -13.294 148 H ARG 20 HN ARG 20 3.926 -8.608 -11.483 149 HA ARG 20 HA ARG 20 3.501 -6.494 -9.519 150 HB2 ARG 20 HB2 ARG 20 1.949 -8.539 -9.156 151 HB3 ARG 20 HB1 ARG 20 3.408 -9.384 -8.673 152 HG2 ARG 20 HG2 ARG 20 3.739 -7.873 -6.838 153 HG3 ARG 20 HG1 ARG 20 2.389 -6.871 -7.371 154 HD2 ARG 20 HD2 ARG 20 0.850 -8.714 -6.978 155 HD3 ARG 20 HD1 ARG 20 2.192 -9.753 -6.501 156 HE ARG 20 HE ARG 20 1.774 -7.290 -4.982 157 HH11 ARG 20 HH11 ARG 20 1.363 -10.780 -5.170 158 HH12 ARG 20 HH12 ARG 20 1.213 -10.962 -3.449 159 HH21 ARG 20 HH21 ARG 20 1.530 -7.522 -2.766 160 HH22 ARG 20 HH22 ARG 20 1.295 -9.107 -2.070 161 H GLU 21 HN GLU 21 5.087 -7.010 -7.583 162 HA GLU 21 HA GLU 21 7.646 -6.614 -8.379 163 HB2 GLU 21 HB2 GLU 21 8.317 -7.397 -6.081 164 HB3 GLU 21 HB1 GLU 21 7.038 -6.192 -6.118 165 HG2 GLU 21 HG2 GLU 21 5.370 -7.862 -5.700 166 HG3 GLU 21 HG1 GLU 21 6.560 -9.151 -5.849 167 H ASN 22 HN ASN 22 6.297 -9.795 -7.511 168 HA ASN 22 HA ASN 22 8.832 -11.054 -8.258 169 HB2 ASN 22 HB2 ASN 22 7.680 -11.535 -6.053 170 HB3 ASN 22 HB1 ASN 22 6.411 -12.330 -6.971 171 HD21 ASN 22 HD21 ASN 22 9.740 -12.475 -5.965 172 HD22 ASN 22 HD22 ASN 22 9.983 -14.146 -6.336 173 H GLY 23 HN GLY 23 6.517 -10.023 -10.060 174 HA2 GLY 23 HA2 GLY 23 5.688 -10.692 -12.123 175 HA3 GLY 23 HA1 GLY 23 6.511 -12.233 -11.912 176 H ASP 24 HN ASP 24 4.733 -11.422 -9.240 177 HA ASP 24 HA ASP 24 2.912 -13.565 -9.510 178 HB2 ASP 24 HB2 ASP 24 3.742 -12.789 -7.337 179 HB3 ASP 24 HB1 ASP 24 2.963 -11.232 -7.579 180 H ASP 25 HN ASP 25 1.721 -13.270 -11.381 181 HA ASP 25 HA ASP 25 0.424 -10.905 -12.121 182 HB2 ASP 25 HB2 ASP 25 -1.001 -12.377 -13.583 183 HB3 ASP 25 HB1 ASP 25 0.732 -12.563 -13.803 184 H VAL 26 HN VAL 26 -1.155 -9.872 -11.265 185 HA VAL 26 HA VAL 26 -2.879 -11.132 -9.291 186 HB VAL 26 HB VAL 26 -2.807 -8.237 -10.157 187 HG11 VAL 26 HG11 VAL 26 -3.884 -7.833 -7.984 188 HG12 VAL 26 HG12 VAL 26 -3.944 -9.574 -7.704 189 HG13 VAL 26 HG13 VAL 26 -4.862 -8.861 -9.030 190 HG21 VAL 26 HG21 VAL 26 -1.359 -9.595 -7.883 191 HG22 VAL 26 HG22 VAL 26 -1.451 -7.851 -8.138 192 HG23 VAL 26 HG23 VAL 26 -0.626 -8.873 -9.316 193 H PHE 27 HN PHE 27 -4.900 -11.695 -9.646 194 HA PHE 27 HA PHE 27 -5.966 -11.407 -12.344 195 HB2 PHE 27 HB2 PHE 27 -5.777 -13.624 -11.130 196 HB3 PHE 27 HB1 PHE 27 -7.037 -13.055 -10.045 197 HD1 PHE 27 HD2 PHE 27 -6.269 -14.019 -13.506 198 HD2 PHE 27 HD1 PHE 27 -9.318 -13.069 -10.694 199 HE1 PHE 27 HE2 PHE 27 -7.965 -14.882 -15.061 200 HE2 PHE 27 HE1 PHE 27 -11.020 -13.933 -12.245 201 HZ PHE 27 HZ PHE 27 -10.343 -14.844 -14.429 202 H VAL 28 HN VAL 28 -6.930 -9.422 -12.510 203 HA VAL 28 HA VAL 28 -8.701 -8.518 -10.382 204 HB VAL 28 HB VAL 28 -7.188 -6.897 -11.510 205 HG11 VAL 28 HG11 VAL 28 -8.986 -7.310 -13.889 206 HG12 VAL 28 HG12 VAL 28 -7.284 -7.758 -13.777 207 HG13 VAL 28 HG13 VAL 28 -7.753 -6.060 -13.732 208 HG21 VAL 28 HG21 VAL 28 -8.849 -5.112 -11.756 209 HG22 VAL 28 HG22 VAL 28 -9.170 -6.115 -10.341 210 HG23 VAL 28 HG23 VAL 28 -10.132 -6.320 -11.804 211 H HIS 29 HN HIS 29 -10.914 -8.266 -10.572 212 HA HIS 29 HA HIS 29 -12.113 -9.602 -12.899 213 HB2 HIS 29 HB2 HIS 29 -13.942 -10.374 -11.376 214 HB3 HIS 29 HB1 HIS 29 -12.375 -11.096 -11.052 215 HD1 HIS 29 HD1 HIS 29 -15.148 -9.419 -9.425 216 HD2 HIS 29 HD2 HIS 29 -11.087 -9.915 -8.672 217 HE1 HIS 29 HE1 HIS 29 -14.848 -8.944 -6.976 218 HE2 HIS 29 HE2 HIS 29 -12.435 -9.491 -6.495 219 H PHE 30 HN PHE 30 -13.966 -8.791 -13.757 220 HA PHE 30 HA PHE 30 -14.116 -6.055 -13.967 221 HB2 PHE 30 HB2 PHE 30 -16.265 -6.415 -15.149 222 HB3 PHE 30 HB1 PHE 30 -14.989 -7.495 -15.688 223 HD1 PHE 30 HD1 PHE 30 -15.038 -9.882 -15.045 224 HD2 PHE 30 HD2 PHE 30 -18.251 -7.242 -14.139 225 HE1 PHE 30 HE1 PHE 30 -16.510 -11.810 -14.660 226 HE2 PHE 30 HE2 PHE 30 -19.724 -9.171 -13.750 227 HZ PHE 30 HZ PHE 30 -18.855 -11.456 -14.011 228 H SER 31 HN SER 31 -15.871 -8.097 -11.719 229 HA SER 31 HA SER 31 -17.777 -6.126 -10.990 230 HB2 SER 31 HB2 SER 31 -17.910 -7.726 -8.897 231 HB3 SER 31 HB1 SER 31 -18.516 -8.239 -10.472 232 HG SER 31 HG SER 31 -17.240 -9.884 -9.965 233 H ALA 32 HN ALA 32 -14.484 -6.331 -10.362 234 HA ALA 32 HA ALA 32 -14.766 -4.500 -8.064 235 HB1 ALA 32 HB1 ALA 32 -12.627 -5.295 -7.223 236 HB2 ALA 32 HB2 ALA 32 -12.495 -6.421 -8.575 237 HB3 ALA 32 HB3 ALA 32 -13.771 -6.625 -7.375 238 H ILE 33 HN ILE 33 -13.828 -4.828 -11.253 239 HA ILE 33 HA ILE 33 -11.661 -3.001 -11.365 240 HB ILE 33 HB ILE 33 -13.689 -3.752 -13.481 241 HG12 ILE 33 HG12 ILE 33 -10.826 -4.622 -13.049 242 HG13 ILE 33 HG11 ILE 33 -12.256 -5.599 -12.739 243 HG21 ILE 33 HG21 ILE 33 -12.772 -1.564 -13.994 244 HG22 ILE 33 HG22 ILE 33 -12.137 -2.774 -15.110 245 HG23 ILE 33 HG23 ILE 33 -11.131 -2.182 -13.787 246 HD11 ILE 33 HD11 ILE 33 -11.358 -4.578 -15.424 247 HD12 ILE 33 HD12 ILE 33 -12.800 -5.550 -15.117 248 HD13 ILE 33 HD13 ILE 33 -11.201 -6.230 -14.819 249 H GLN 34 HN GLN 34 -11.624 -0.813 -11.449 250 HA GLN 34 HA GLN 34 -13.847 0.692 -10.605 251 HB2 GLN 34 HB2 GLN 34 -12.409 2.669 -11.189 252 HB3 GLN 34 HB1 GLN 34 -11.667 1.507 -10.099 253 HG2 GLN 34 HG2 GLN 34 -10.406 0.554 -11.960 254 HG3 GLN 34 HG1 GLN 34 -11.150 1.715 -13.058 255 HE21 GLN 34 HE21 GLN 34 -8.353 1.291 -12.412 256 HE22 GLN 34 HE22 GLN 34 -7.761 2.797 -11.809 257 H GLY 35 HN GLY 35 -15.615 0.690 -11.850 258 HA2 GLY 35 HA2 GLY 35 -15.388 1.101 -14.726 259 HA3 GLY 35 HA1 GLY 35 -16.861 0.730 -13.839 260 H ASP 36 HN ASP 36 -14.894 3.187 -12.540 261 HA ASP 36 HA ASP 36 -16.925 5.174 -13.174 262 HB2 ASP 36 HB2 ASP 36 -16.103 4.913 -10.837 263 HB3 ASP 36 HB1 ASP 36 -14.495 5.387 -11.375 264 H GLY 37 HN GLY 37 -16.660 6.091 -15.106 265 HA2 GLY 37 HA2 GLY 37 -15.614 7.677 -16.500 266 HA3 GLY 37 HA1 GLY 37 -14.086 7.350 -15.693 267 H PHE 38 HN PHE 38 -12.700 5.917 -16.567 268 HA PHE 38 HA PHE 38 -13.430 4.772 -19.143 269 HB2 PHE 38 HB2 PHE 38 -10.771 4.927 -17.708 270 HB3 PHE 38 HB1 PHE 38 -11.001 4.220 -19.302 271 HD1 PHE 38 HD1 PHE 38 -11.682 5.659 -21.199 272 HD2 PHE 38 HD2 PHE 38 -10.607 7.263 -17.407 273 HE1 PHE 38 HE1 PHE 38 -11.352 7.867 -22.229 274 HE2 PHE 38 HE2 PHE 38 -10.278 9.473 -18.434 275 HZ PHE 38 HZ PHE 38 -10.650 9.775 -20.846 276 H LYS 39 HN LYS 39 -14.218 2.784 -19.244 277 HA LYS 39 HA LYS 39 -13.889 0.967 -17.018 278 HB2 LYS 39 HB2 LYS 39 -15.524 -0.392 -18.019 279 HB3 LYS 39 HB1 LYS 39 -16.031 1.244 -18.401 280 HG2 LYS 39 HG2 LYS 39 -14.452 -0.454 -20.311 281 HG3 LYS 39 HG1 LYS 39 -16.212 -0.470 -20.247 282 HD2 LYS 39 HD2 LYS 39 -16.230 1.942 -20.733 283 HD3 LYS 39 HD1 LYS 39 -14.466 1.924 -20.827 284 HE2 LYS 39 HE2 LYS 39 -14.541 0.403 -22.704 285 HE3 LYS 39 HE1 LYS 39 -16.293 0.270 -22.567 286 HZ1 LYS 39 HZ1 LYS 39 -15.642 1.779 -24.341 287 HZ2 LYS 39 HZ2 LYS 39 -14.802 2.757 -23.237 288 HZ3 LYS 39 HZ3 LYS 39 -16.491 2.605 -23.126 289 H SER 40 HN SER 40 -12.091 1.738 -19.694 290 HA SER 40 HA SER 40 -11.103 -0.985 -20.088 291 HB2 SER 40 HB2 SER 40 -9.966 0.198 -22.109 292 HB3 SER 40 HB1 SER 40 -11.702 -0.118 -22.164 293 HG SER 40 HG SER 40 -10.482 2.208 -22.402 294 H LEU 41 HN LEU 41 -9.749 -1.155 -18.292 295 HA LEU 41 HA LEU 41 -7.496 0.660 -18.061 296 HB2 LEU 41 HB2 LEU 41 -8.073 -1.942 -16.632 297 HB3 LEU 41 HB1 LEU 41 -6.739 -0.865 -16.265 298 HG LEU 41 HG LEU 41 -9.670 -0.202 -15.945 299 HD11 LEU 41 HD11 LEU 41 -9.180 -0.248 -13.552 300 HD12 LEU 41 HD12 LEU 41 -7.528 -0.760 -13.896 301 HD13 LEU 41 HD13 LEU 41 -8.881 -1.819 -14.298 302 HD21 LEU 41 HD21 LEU 41 -8.326 1.756 -16.535 303 HD22 LEU 41 HD22 LEU 41 -7.212 1.390 -15.219 304 HD23 LEU 41 HD23 LEU 41 -8.881 1.836 -14.864 305 H ASP 42 HN ASP 42 -6.597 0.412 -20.118 306 HA ASP 42 HA ASP 42 -6.205 -2.165 -21.260 307 HB2 ASP 42 HB2 ASP 42 -5.390 0.593 -22.132 308 HB3 ASP 42 HB1 ASP 42 -4.955 -0.847 -23.044 309 H GLU 43 HN GLU 43 -4.088 -2.608 -22.366 310 HA GLU 43 HA GLU 43 -2.230 -3.357 -20.414 311 HB2 GLU 43 HB2 GLU 43 -1.751 -3.121 -23.392 312 HB3 GLU 43 HB1 GLU 43 -0.851 -4.120 -22.263 313 HG2 GLU 43 HG2 GLU 43 -2.262 -5.587 -23.419 314 HG3 GLU 43 HG1 GLU 43 -3.016 -5.363 -21.843 315 H GLY 44 HN GLY 44 -0.479 -2.399 -19.606 316 HA2 GLY 44 HA2 GLY 44 1.455 -1.027 -19.768 317 HA3 GLY 44 HA1 GLY 44 0.654 -0.090 -21.019 318 H GLN 45 HN GLN 45 -1.721 -0.403 -18.868 319 HA GLN 45 HA GLN 45 -1.061 2.126 -17.562 320 HB2 GLN 45 HB2 GLN 45 -3.392 1.190 -18.641 321 HB3 GLN 45 HB1 GLN 45 -3.641 0.834 -16.938 322 HG2 GLN 45 HG2 GLN 45 -2.906 3.545 -18.025 323 HG3 GLN 45 HG1 GLN 45 -4.547 3.026 -17.657 324 HE21 GLN 45 HE21 GLN 45 -2.955 5.221 -16.559 325 HE22 GLN 45 HE22 GLN 45 -2.876 4.956 -14.846 326 H ALA 46 HN ALA 46 -0.331 2.227 -15.536 327 HA ALA 46 HA ALA 46 -0.355 -0.219 -13.925 328 HB1 ALA 46 HB1 ALA 46 1.200 2.338 -13.541 329 HB2 ALA 46 HB2 ALA 46 1.813 0.846 -14.257 330 HB3 ALA 46 HB3 ALA 46 1.345 0.883 -12.556 331 H VAL 47 HN VAL 47 -1.965 -0.442 -12.554 332 HA VAL 47 HA VAL 47 -3.227 1.957 -11.427 333 HB VAL 47 HB VAL 47 -5.159 0.470 -10.904 334 HG11 VAL 47 HG11 VAL 47 -5.969 0.272 -13.218 335 HG12 VAL 47 HG12 VAL 47 -4.333 0.583 -13.801 336 HG13 VAL 47 HG13 VAL 47 -5.203 1.831 -12.906 337 HG21 VAL 47 HG21 VAL 47 -4.019 -1.669 -10.810 338 HG22 VAL 47 HG22 VAL 47 -3.609 -1.553 -12.522 339 HG23 VAL 47 HG23 VAL 47 -5.294 -1.720 -12.027 340 H THR 48 HN THR 48 -3.983 1.834 -9.219 341 HA THR 48 HA THR 48 -2.241 0.175 -7.524 342 HB THR 48 HB THR 48 -2.800 1.792 -5.710 343 HG1 THR 48 HG1 THR 48 -4.745 2.491 -7.234 344 HG21 THR 48 HG21 THR 48 -1.638 3.025 -8.210 345 HG22 THR 48 HG22 THR 48 -0.753 2.106 -6.993 346 HG23 THR 48 HG23 THR 48 -1.461 3.666 -6.577 347 H PHE 49 HN PHE 49 -3.141 -1.387 -6.321 348 HA PHE 49 HA PHE 49 -6.038 -1.371 -5.921 349 HB2 PHE 49 HB2 PHE 49 -6.145 -3.752 -6.761 350 HB3 PHE 49 HB1 PHE 49 -5.882 -2.532 -8.002 351 HD1 PHE 49 HD1 PHE 49 -4.382 -5.292 -6.137 352 HD2 PHE 49 HD2 PHE 49 -3.795 -2.388 -9.185 353 HE1 PHE 49 HE1 PHE 49 -2.374 -6.495 -6.889 354 HE2 PHE 49 HE2 PHE 49 -1.784 -3.582 -9.942 355 HZ PHE 49 HZ PHE 49 -1.069 -5.639 -8.795 356 H ASP 50 HN ASP 50 -6.752 -3.198 -4.534 357 HA ASP 50 HA ASP 50 -4.678 -3.847 -2.535 358 HB2 ASP 50 HB2 ASP 50 -6.652 -2.581 -1.722 359 HB3 ASP 50 HB1 ASP 50 -7.695 -3.897 -2.248 360 H VAL 51 HN VAL 51 -4.495 -6.005 -1.753 361 HA VAL 51 HA VAL 51 -5.105 -7.970 -3.785 362 HB VAL 51 HB VAL 51 -3.706 -8.335 -1.128 363 HG11 VAL 51 HG11 VAL 51 -2.913 -10.447 -2.070 364 HG12 VAL 51 HG12 VAL 51 -3.875 -10.165 -3.520 365 HG13 VAL 51 HG13 VAL 51 -4.672 -10.414 -1.967 366 HG21 VAL 51 HG21 VAL 51 -1.647 -8.373 -2.449 367 HG22 VAL 51 HG22 VAL 51 -2.486 -6.829 -2.602 368 HG23 VAL 51 HG23 VAL 51 -2.577 -8.014 -3.904 369 H GLU 52 HN GLU 52 -7.143 -8.635 -3.834 370 HA GLU 52 HA GLU 52 -8.630 -9.231 -1.424 371 HB2 GLU 52 HB2 GLU 52 -9.763 -8.309 -3.419 372 HB3 GLU 52 HB1 GLU 52 -9.294 -9.729 -4.340 373 HG2 GLU 52 HG2 GLU 52 -10.699 -11.135 -3.014 374 HG3 GLU 52 HG1 GLU 52 -11.044 -9.818 -1.895 375 H GLU 53 HN GLU 53 -8.618 -11.127 -0.433 376 HA GLU 53 HA GLU 53 -6.921 -13.199 -1.544 377 HB2 GLU 53 HB2 GLU 53 -8.180 -12.894 1.185 378 HB3 GLU 53 HB1 GLU 53 -7.121 -14.221 0.720 379 HG2 GLU 53 HG2 GLU 53 -5.312 -12.645 0.303 380 HG3 GLU 53 HG1 GLU 53 -6.370 -11.305 0.736 381 H GLY 54 HN GLY 54 -7.807 -14.600 -2.844 382 HA2 GLY 54 HA2 GLY 54 -10.334 -15.878 -2.050 383 HA3 GLY 54 HA1 GLY 54 -10.165 -15.237 -3.678 384 H GLN 55 HN GLN 55 -10.746 -17.870 -3.411 385 HA GLN 55 HA GLN 55 -8.332 -19.431 -3.248 386 HB2 GLN 55 HB2 GLN 55 -11.191 -20.175 -3.852 387 HB3 GLN 55 HB1 GLN 55 -9.873 -21.343 -3.794 388 HG2 GLN 55 HG2 GLN 55 -9.475 -20.917 -1.501 389 HG3 GLN 55 HG1 GLN 55 -10.535 -19.512 -1.509 390 HE21 GLN 55 HE21 GLN 55 -11.757 -20.313 0.178 391 HE22 GLN 55 HE22 GLN 55 -12.871 -21.627 -0.025 392 H ARG 56 HN ARG 56 -7.150 -18.495 -4.899 393 HA ARG 56 HA ARG 56 -7.042 -19.951 -7.267 394 HB2 ARG 56 HB2 ARG 56 -7.638 -18.323 -8.971 395 HB3 ARG 56 HB1 ARG 56 -9.031 -18.632 -7.950 396 HG2 ARG 56 HG2 ARG 56 -8.840 -16.534 -6.883 397 HG3 ARG 56 HG1 ARG 56 -7.220 -16.268 -7.528 398 HD2 ARG 56 HD2 ARG 56 -8.749 -14.911 -8.771 399 HD3 ARG 56 HD1 ARG 56 -8.207 -16.223 -9.814 400 HE ARG 56 HE ARG 56 -10.823 -16.217 -8.442 401 HH11 ARG 56 HH11 ARG 56 -8.824 -16.885 -11.247 402 HH12 ARG 56 HH12 ARG 56 -10.165 -17.425 -12.223 403 HH21 ARG 56 HH21 ARG 56 -12.569 -16.915 -9.703 404 HH22 ARG 56 HH22 ARG 56 -12.294 -17.449 -11.336 405 H GLY 57 HN GLY 57 -6.331 -17.042 -5.495 406 HA2 GLY 57 HA2 GLY 57 -3.720 -17.008 -5.231 407 HA3 GLY 57 HA1 GLY 57 -3.829 -16.611 -6.944 408 HA PRO 58 HA PRO 58 -4.121 -12.560 -4.781 409 HB2 PRO 58 HB2 PRO 58 -2.733 -11.173 -6.657 410 HB3 PRO 58 HB1 PRO 58 -1.945 -12.041 -5.335 411 HG2 PRO 58 HG2 PRO 58 -2.326 -12.867 -8.185 412 HG3 PRO 58 HG1 PRO 58 -0.900 -13.050 -7.147 413 HD2 PRO 58 HD2 PRO 58 -2.635 -15.080 -7.646 414 HD3 PRO 58 HD1 PRO 58 -1.733 -14.937 -6.124 415 H GLN 59 HN GLN 59 -6.262 -12.128 -5.108 416 HA GLN 59 HA GLN 59 -7.182 -11.600 -7.840 417 HB2 GLN 59 HB2 GLN 59 -8.434 -13.140 -6.248 418 HB3 GLN 59 HB1 GLN 59 -8.823 -11.714 -5.303 419 HG2 GLN 59 HG2 GLN 59 -10.170 -10.821 -7.006 420 HG3 GLN 59 HG1 GLN 59 -9.531 -11.945 -8.207 421 HE21 GLN 59 HE21 GLN 59 -11.689 -11.554 -5.498 422 HE22 GLN 59 HE22 GLN 59 -12.542 -13.055 -5.709 423 H ALA 60 HN ALA 60 -7.905 -9.540 -8.448 424 HA ALA 60 HA ALA 60 -6.916 -7.446 -6.663 425 HB1 ALA 60 HB1 ALA 60 -6.933 -5.990 -8.618 426 HB2 ALA 60 HB2 ALA 60 -7.637 -7.288 -9.580 427 HB3 ALA 60 HB3 ALA 60 -6.015 -7.465 -8.915 428 H ALA 61 HN ALA 61 -8.221 -6.365 -5.451 429 HA ALA 61 HA ALA 61 -10.802 -5.475 -6.526 430 HB1 ALA 61 HB1 ALA 61 -11.859 -5.777 -4.332 431 HB2 ALA 61 HB2 ALA 61 -10.380 -6.516 -3.718 432 HB3 ALA 61 HB3 ALA 61 -11.301 -7.314 -4.991 433 H ASN 62 HN ASN 62 -11.583 -3.525 -5.243 434 HA ASN 62 HA ASN 62 -11.184 -1.328 -4.805 435 HB2 ASN 62 HB2 ASN 62 -9.013 -2.513 -3.058 436 HB3 ASN 62 HB1 ASN 62 -9.518 -0.828 -3.010 437 HD21 ASN 62 HD21 ASN 62 -9.577 -2.841 -0.924 438 HD22 ASN 62 HD22 ASN 62 -11.224 -2.953 -0.410 439 H VAL 63 HN VAL 63 -10.570 -1.050 -7.016 440 HA VAL 63 HA VAL 63 -7.672 -0.752 -7.445 441 HB VAL 63 HB VAL 63 -9.816 -1.189 -9.538 442 HG11 VAL 63 HG11 VAL 63 -7.936 -1.570 -11.062 443 HG12 VAL 63 HG12 VAL 63 -6.808 -1.182 -9.763 444 HG13 VAL 63 HG13 VAL 63 -7.901 0.057 -10.381 445 HG21 VAL 63 HG21 VAL 63 -9.552 -3.181 -8.178 446 HG22 VAL 63 HG22 VAL 63 -7.803 -3.123 -8.394 447 HG23 VAL 63 HG23 VAL 63 -8.852 -3.444 -9.777 448 H GLN 64 HN GLN 64 -6.978 1.260 -7.586 449 HA GLN 64 HA GLN 64 -8.822 3.351 -8.546 450 HB2 GLN 64 HB2 GLN 64 -7.715 3.308 -6.108 451 HB3 GLN 64 HB1 GLN 64 -6.385 4.054 -6.980 452 HG2 GLN 64 HG2 GLN 64 -7.775 5.753 -6.007 453 HG3 GLN 64 HG1 GLN 64 -7.914 5.814 -7.763 454 HE21 GLN 64 HE21 GLN 64 -9.851 5.313 -8.733 455 HE22 GLN 64 HE22 GLN 64 -11.316 5.079 -7.844 456 H LYS 65 HN LYS 65 -7.981 4.876 -10.044 457 HA LYS 65 HA LYS 65 -5.917 3.745 -11.728 458 HB2 LYS 65 HB2 LYS 65 -7.979 4.682 -12.703 459 HB3 LYS 65 HB1 LYS 65 -7.551 6.265 -12.071 460 HG2 LYS 65 HG2 LYS 65 -5.404 6.032 -13.448 461 HG3 LYS 65 HG1 LYS 65 -6.232 4.706 -14.266 462 HD2 LYS 65 HD2 LYS 65 -6.563 6.704 -15.546 463 HD3 LYS 65 HD1 LYS 65 -8.097 6.279 -14.780 464 HE2 LYS 65 HE2 LYS 65 -7.752 8.655 -14.584 465 HE3 LYS 65 HE1 LYS 65 -7.607 7.919 -12.990 466 HZ1 LYS 65 HZ1 LYS 65 -5.323 8.692 -14.735 467 HZ2 LYS 65 HZ2 LYS 65 -5.201 8.042 -13.176 468 HZ3 LYS 65 HZ3 LYS 65 -5.881 9.574 -13.405 469 H ALA 66 HN ALA 66 -3.885 4.470 -11.992 470 HA ALA 66 HA ALA 66 -3.061 6.859 -10.522 471 HB1 ALA 66 HB1 ALA 66 -1.687 4.858 -10.222 472 HB2 ALA 66 HB2 ALA 66 -0.769 6.138 -11.013 473 HB3 ALA 66 HB3 ALA 66 -1.395 4.788 -11.960 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 2.866 2.247 -0.803 2 H2 MET 1 HT2 MET 1 2.160 0.765 -0.377 3 H3 MET 1 HT3 MET 1 1.244 1.933 -1.190 4 HA MET 1 HA MET 1 2.591 1.733 -3.137 5 HB2 MET 1 HB2 MET 1 4.106 -0.259 -1.455 6 HB3 MET 1 HB1 MET 1 4.163 -0.292 -3.210 7 HG2 MET 1 HG2 MET 1 6.078 0.872 -2.384 8 HG3 MET 1 HG1 MET 1 5.015 2.020 -3.194 9 HE1 MET 1 HE1 MET 1 6.271 4.069 -2.084 10 HE2 MET 1 HE2 MET 1 7.379 2.930 -1.317 11 HE3 MET 1 HE3 MET 1 6.597 4.185 -0.355 12 H GLU 2 HN GLU 2 0.739 1.173 -4.073 13 HA GLU 2 HA GLU 2 -0.215 -1.591 -3.697 14 HB2 GLU 2 HB2 GLU 2 -1.832 0.765 -4.697 15 HB3 GLU 2 HB1 GLU 2 -2.435 -0.834 -4.295 16 HG2 GLU 2 HG2 GLU 2 -3.078 0.510 -2.507 17 HG3 GLU 2 HG1 GLU 2 -1.656 -0.349 -1.919 18 H GLN 3 HN GLN 3 1.802 -0.232 -5.522 19 HA GLN 3 HA GLN 3 0.750 -0.032 -8.114 20 HB2 GLN 3 HB2 GLN 3 3.552 -0.319 -7.078 21 HB3 GLN 3 HB1 GLN 3 3.214 -0.275 -8.801 22 HG2 GLN 3 HG2 GLN 3 3.648 1.924 -8.436 23 HG3 GLN 3 HG1 GLN 3 1.910 1.914 -8.156 24 HE21 GLN 3 HE21 GLN 3 3.937 3.757 -7.180 25 HE22 GLN 3 HE22 GLN 3 3.817 3.724 -5.449 26 H GLY 4 HN GLY 4 0.447 -1.357 -9.686 27 HA2 GLY 4 HA2 GLY 4 1.884 -3.876 -9.878 28 HA3 GLY 4 HA1 GLY 4 0.126 -3.991 -9.776 29 H THR 5 HN THR 5 1.471 -4.862 -12.077 30 HA THR 5 HA THR 5 0.725 -2.723 -13.965 31 HB THR 5 HB THR 5 2.893 -4.766 -14.481 32 HG1 THR 5 HG1 THR 5 4.018 -3.543 -13.139 33 HG21 THR 5 HG21 THR 5 3.520 -3.014 -16.206 34 HG22 THR 5 HG22 THR 5 1.953 -2.274 -15.892 35 HG23 THR 5 HG23 THR 5 2.043 -3.918 -16.526 36 H VAL 6 HN VAL 6 -0.774 -3.227 -15.417 37 HA VAL 6 HA VAL 6 -2.161 -5.688 -15.270 38 HB VAL 6 HB VAL 6 -2.310 -3.587 -17.444 39 HG11 VAL 6 HG11 VAL 6 -3.303 -5.690 -18.151 40 HG12 VAL 6 HG12 VAL 6 -4.568 -4.498 -17.843 41 HG13 VAL 6 HG13 VAL 6 -4.246 -5.767 -16.662 42 HG21 VAL 6 HG21 VAL 6 -2.740 -2.650 -15.225 43 HG22 VAL 6 HG22 VAL 6 -3.957 -3.895 -14.936 44 HG23 VAL 6 HG23 VAL 6 -4.210 -2.692 -16.202 45 H LYS 7 HN LYS 7 -1.614 -7.578 -16.105 46 HA LYS 7 HA LYS 7 0.386 -7.880 -18.143 47 HB2 LYS 7 HB2 LYS 7 -1.561 -9.856 -16.928 48 HB3 LYS 7 HB1 LYS 7 -0.307 -10.288 -18.075 49 HG2 LYS 7 HG2 LYS 7 0.255 -9.015 -15.417 50 HG3 LYS 7 HG1 LYS 7 0.203 -10.760 -15.675 51 HD2 LYS 7 HD2 LYS 7 1.915 -10.323 -17.542 52 HD3 LYS 7 HD1 LYS 7 2.139 -8.749 -16.770 53 HE2 LYS 7 HE2 LYS 7 2.603 -9.915 -14.639 54 HE3 LYS 7 HE1 LYS 7 2.497 -11.453 -15.490 55 HZ1 LYS 7 HZ1 LYS 7 4.773 -10.817 -15.266 56 HZ2 LYS 7 HZ2 LYS 7 4.481 -9.297 -15.950 57 HZ3 LYS 7 HZ3 LYS 7 4.350 -10.695 -16.904 58 H TRP 8 HN TRP 8 -2.943 -9.065 -18.027 59 HA TRP 8 HA TRP 8 -3.449 -8.089 -20.738 60 HB2 TRP 8 HB2 TRP 8 -4.263 -10.889 -19.960 61 HB3 TRP 8 HB1 TRP 8 -4.182 -10.178 -21.568 62 HD1 TRP 8 HD1 TRP 8 -2.204 -12.192 -19.120 63 HE1 TRP 8 HE1 TRP 8 0.132 -12.708 -20.072 64 HE3 TRP 8 HE3 TRP 8 -2.277 -9.048 -23.154 65 HZ2 TRP 8 HZ2 TRP 8 1.723 -11.885 -22.254 66 HZ3 TRP 8 HZ3 TRP 8 -0.308 -8.975 -24.624 67 HH2 TRP 8 HH2 TRP 8 1.650 -10.366 -24.182 68 H PHE 9 HN PHE 9 -5.425 -7.142 -20.805 69 HA PHE 9 HA PHE 9 -7.229 -7.699 -18.566 70 HB2 PHE 9 HB2 PHE 9 -8.405 -5.622 -19.153 71 HB3 PHE 9 HB1 PHE 9 -6.702 -5.334 -18.833 72 HD1 PHE 9 HD1 PHE 9 -5.157 -5.109 -20.872 73 HD2 PHE 9 HD2 PHE 9 -9.397 -4.854 -21.088 74 HE1 PHE 9 HE1 PHE 9 -4.972 -3.908 -23.007 75 HE2 PHE 9 HE2 PHE 9 -9.220 -3.659 -23.230 76 HZ PHE 9 HZ PHE 9 -7.005 -3.186 -24.192 77 H ASN 10 HN ASN 10 -8.507 -9.339 -18.989 78 HA ASN 10 HA ASN 10 -9.402 -9.808 -21.721 79 HB2 ASN 10 HB2 ASN 10 -9.397 -11.480 -19.221 80 HB3 ASN 10 HB1 ASN 10 -10.386 -11.931 -20.606 81 HD21 ASN 10 HD21 ASN 10 -7.163 -11.639 -19.360 82 HD22 ASN 10 HD22 ASN 10 -6.378 -12.487 -20.644 83 H ALA 11 HN ALA 11 -10.623 -7.699 -21.295 84 HA ALA 11 HA ALA 11 -12.967 -7.689 -19.726 85 HB1 ALA 11 HB1 ALA 11 -13.630 -5.761 -21.086 86 HB2 ALA 11 HB2 ALA 11 -12.331 -6.121 -22.223 87 HB3 ALA 11 HB3 ALA 11 -11.948 -5.645 -20.570 88 H GLU 12 HN GLU 12 -12.204 -8.991 -22.837 89 HA GLU 12 HA GLU 12 -14.875 -9.316 -23.778 90 HB2 GLU 12 HB2 GLU 12 -12.485 -10.991 -24.548 91 HB3 GLU 12 HB1 GLU 12 -13.922 -10.669 -25.505 92 HG2 GLU 12 HG2 GLU 12 -11.866 -8.618 -24.724 93 HG3 GLU 12 HG1 GLU 12 -11.955 -9.432 -26.284 94 H LYS 13 HN LYS 13 -13.114 -10.820 -21.344 95 HA LYS 13 HA LYS 13 -14.723 -13.287 -21.505 96 HB2 LYS 13 HB2 LYS 13 -12.244 -13.023 -19.836 97 HB3 LYS 13 HB1 LYS 13 -12.975 -14.473 -20.509 98 HG2 LYS 13 HG2 LYS 13 -12.179 -12.703 -22.620 99 HG3 LYS 13 HG1 LYS 13 -10.826 -12.996 -21.530 100 HD2 LYS 13 HD2 LYS 13 -10.719 -14.668 -23.200 101 HD3 LYS 13 HD1 LYS 13 -11.339 -15.455 -21.747 102 HE2 LYS 13 HE2 LYS 13 -13.570 -15.422 -22.599 103 HE3 LYS 13 HE1 LYS 13 -13.094 -14.402 -23.956 104 HZ1 LYS 13 HZ1 LYS 13 -13.361 -16.760 -24.553 105 HZ2 LYS 13 HZ2 LYS 13 -12.096 -17.164 -23.499 106 HZ3 LYS 13 HZ3 LYS 13 -11.793 -16.186 -24.853 107 H GLY 14 HN GLY 14 -13.522 -10.731 -19.388 108 HA2 GLY 14 HA2 GLY 14 -15.178 -9.817 -17.815 109 HA3 GLY 14 HA1 GLY 14 -15.622 -11.477 -17.451 110 H PHE 15 HN PHE 15 -12.268 -10.956 -17.864 111 HA PHE 15 HA PHE 15 -11.787 -10.350 -15.076 112 HB2 PHE 15 HB2 PHE 15 -10.423 -12.373 -14.683 113 HB3 PHE 15 HB1 PHE 15 -12.119 -12.751 -14.943 114 HD1 PHE 15 HD2 PHE 15 -8.752 -12.870 -16.432 115 HD2 PHE 15 HD1 PHE 15 -12.813 -14.094 -16.779 116 HE1 PHE 15 HE2 PHE 15 -8.109 -14.489 -18.167 117 HE2 PHE 15 HE1 PHE 15 -12.175 -15.722 -18.511 118 HZ PHE 15 HZ PHE 15 -9.822 -15.920 -19.209 119 H GLY 16 HN GLY 16 -9.210 -10.760 -14.758 120 HA2 GLY 16 HA2 GLY 16 -7.652 -10.266 -17.117 121 HA3 GLY 16 HA1 GLY 16 -7.849 -8.829 -16.123 122 H PHE 17 HN PHE 17 -5.361 -9.713 -16.524 123 HA PHE 17 HA PHE 17 -4.650 -10.900 -13.923 124 HB2 PHE 17 HB2 PHE 17 -3.198 -11.257 -16.559 125 HB3 PHE 17 HB1 PHE 17 -2.633 -11.850 -15.001 126 HD1 PHE 17 HD1 PHE 17 -3.948 -13.609 -13.813 127 HD2 PHE 17 HD2 PHE 17 -4.769 -12.464 -17.830 128 HE1 PHE 17 HE1 PHE 17 -5.194 -15.703 -14.152 129 HE2 PHE 17 HE2 PHE 17 -6.022 -14.551 -18.172 130 HZ PHE 17 HZ PHE 17 -6.235 -16.174 -16.336 131 H ILE 18 HN ILE 18 -3.362 -9.688 -12.694 132 HA ILE 18 HA ILE 18 -1.815 -7.530 -13.985 133 HB ILE 18 HB ILE 18 -3.209 -7.346 -11.302 134 HG12 ILE 18 HG12 ILE 18 -3.877 -5.949 -13.904 135 HG13 ILE 18 HG11 ILE 18 -4.790 -7.289 -13.213 136 HG21 ILE 18 HG21 ILE 18 -2.542 -4.995 -11.363 137 HG22 ILE 18 HG22 ILE 18 -1.683 -5.280 -12.876 138 HG23 ILE 18 HG23 ILE 18 -1.143 -6.068 -11.393 139 HD11 ILE 18 HD11 ILE 18 -5.328 -5.899 -11.274 140 HD12 ILE 18 HD12 ILE 18 -5.880 -5.173 -12.783 141 HD13 ILE 18 HD13 ILE 18 -4.428 -4.561 -11.988 142 H GLU 19 HN GLU 19 0.303 -7.382 -13.336 143 HA GLU 19 HA GLU 19 1.210 -9.440 -11.481 144 HB2 GLU 19 HB2 GLU 19 3.470 -8.886 -12.243 145 HB3 GLU 19 HB1 GLU 19 2.409 -9.255 -13.594 146 HG2 GLU 19 HG2 GLU 19 2.261 -6.974 -14.214 147 HG3 GLU 19 HG1 GLU 19 3.020 -6.449 -12.712 148 H ARG 20 HN ARG 20 1.985 -9.074 -9.530 149 HA ARG 20 HA ARG 20 2.703 -6.336 -8.758 150 HB2 ARG 20 HB2 ARG 20 0.451 -6.826 -7.866 151 HB3 ARG 20 HB1 ARG 20 1.072 -8.279 -7.096 152 HG2 ARG 20 HG2 ARG 20 2.490 -6.931 -5.654 153 HG3 ARG 20 HG1 ARG 20 1.925 -5.462 -6.451 154 HD2 ARG 20 HD2 ARG 20 -0.309 -5.822 -5.655 155 HD3 ARG 20 HD1 ARG 20 0.127 -7.407 -5.017 156 HE ARG 20 HE ARG 20 1.770 -5.926 -3.601 157 HH11 ARG 20 HH11 ARG 20 -1.552 -5.207 -4.460 158 HH12 ARG 20 HH12 ARG 20 -1.879 -4.317 -3.001 159 HH21 ARG 20 HH21 ARG 20 1.346 -4.745 -1.685 160 HH22 ARG 20 HH22 ARG 20 -0.234 -4.078 -1.412 161 H GLU 21 HN GLU 21 4.169 -6.319 -6.873 162 HA GLU 21 HA GLU 21 6.465 -7.672 -7.010 163 HB2 GLU 21 HB2 GLU 21 5.145 -7.136 -4.346 164 HB3 GLU 21 HB1 GLU 21 6.869 -7.198 -4.683 165 HG2 GLU 21 HG2 GLU 21 4.952 -5.142 -5.754 166 HG3 GLU 21 HG1 GLU 21 6.047 -4.911 -4.393 167 H ASN 22 HN ASN 22 3.891 -8.732 -4.791 168 HA ASN 22 HA ASN 22 4.784 -11.500 -5.196 169 HB2 ASN 22 HB2 ASN 22 4.843 -10.837 -2.853 170 HB3 ASN 22 HB1 ASN 22 3.170 -10.292 -2.937 171 HD21 ASN 22 HD21 ASN 22 2.502 -11.654 -1.321 172 HD22 ASN 22 HD22 ASN 22 2.355 -13.364 -1.551 173 H GLY 23 HN GLY 23 3.636 -11.301 -7.289 174 HA2 GLY 23 HA2 GLY 23 1.555 -12.977 -7.461 175 HA3 GLY 23 HA1 GLY 23 0.739 -11.461 -7.111 176 H ASP 24 HN ASP 24 3.058 -12.943 -9.348 177 HA ASP 24 HA ASP 24 2.946 -10.822 -11.245 178 HB2 ASP 24 HB2 ASP 24 4.819 -12.469 -11.019 179 HB3 ASP 24 HB1 ASP 24 3.765 -13.699 -11.703 180 H ASP 25 HN ASP 25 0.555 -12.833 -10.372 181 HA ASP 25 HA ASP 25 -0.749 -12.718 -12.980 182 HB2 ASP 25 HB2 ASP 25 -1.368 -15.050 -13.007 183 HB3 ASP 25 HB1 ASP 25 0.382 -14.944 -12.854 184 H VAL 26 HN VAL 26 -1.110 -11.317 -10.473 185 HA VAL 26 HA VAL 26 -3.180 -12.251 -8.871 186 HB VAL 26 HB VAL 26 -2.526 -9.411 -9.676 187 HG11 VAL 26 HG11 VAL 26 -4.339 -10.375 -7.469 188 HG12 VAL 26 HG12 VAL 26 -4.845 -9.535 -8.934 189 HG13 VAL 26 HG13 VAL 26 -3.845 -8.704 -7.741 190 HG21 VAL 26 HG21 VAL 26 -0.757 -10.560 -8.453 191 HG22 VAL 26 HG22 VAL 26 -1.903 -10.983 -7.181 192 HG23 VAL 26 HG23 VAL 26 -1.489 -9.293 -7.469 193 H PHE 27 HN PHE 27 -5.223 -12.690 -9.231 194 HA PHE 27 HA PHE 27 -6.318 -12.260 -11.877 195 HB2 PHE 27 HB2 PHE 27 -6.445 -14.443 -10.602 196 HB3 PHE 27 HB1 PHE 27 -7.587 -13.663 -9.517 197 HD1 PHE 27 HD2 PHE 27 -7.053 -14.986 -12.881 198 HD2 PHE 27 HD1 PHE 27 -9.854 -13.203 -10.218 199 HE1 PHE 27 HE2 PHE 27 -8.886 -15.624 -14.388 200 HE2 PHE 27 HE1 PHE 27 -11.693 -13.844 -11.722 201 HZ PHE 27 HZ PHE 27 -11.208 -15.054 -13.810 202 H VAL 28 HN VAL 28 -7.449 -10.500 -12.348 203 HA VAL 28 HA VAL 28 -8.948 -9.179 -10.183 204 HB VAL 28 HB VAL 28 -7.132 -7.826 -11.251 205 HG11 VAL 28 HG11 VAL 28 -8.914 -7.919 -13.675 206 HG12 VAL 28 HG12 VAL 28 -7.321 -8.660 -13.527 207 HG13 VAL 28 HG13 VAL 28 -7.486 -6.904 -13.480 208 HG21 VAL 28 HG21 VAL 28 -8.489 -5.799 -11.554 209 HG22 VAL 28 HG22 VAL 28 -8.957 -6.719 -10.123 210 HG23 VAL 28 HG23 VAL 28 -9.943 -6.797 -11.584 211 H HIS 29 HN HIS 29 -11.024 -8.246 -10.746 212 HA HIS 29 HA HIS 29 -12.385 -9.811 -12.836 213 HB2 HIS 29 HB2 HIS 29 -13.566 -8.504 -10.369 214 HB3 HIS 29 HB1 HIS 29 -14.449 -9.467 -11.547 215 HD1 HIS 29 HD1 HIS 29 -13.848 -12.067 -11.608 216 HD2 HIS 29 HD2 HIS 29 -12.339 -9.925 -8.373 217 HE1 HIS 29 HE1 HIS 29 -13.205 -13.789 -9.888 218 HE2 HIS 29 HE2 HIS 29 -12.460 -12.463 -7.873 219 H PHE 30 HN PHE 30 -14.152 -8.713 -13.981 220 HA PHE 30 HA PHE 30 -13.220 -6.321 -15.119 221 HB2 PHE 30 HB2 PHE 30 -15.279 -6.301 -16.425 222 HB3 PHE 30 HB1 PHE 30 -14.614 -7.926 -16.362 223 HD1 PHE 30 HD1 PHE 30 -15.732 -9.661 -15.008 224 HD2 PHE 30 HD2 PHE 30 -17.406 -5.782 -15.499 225 HE1 PHE 30 HE1 PHE 30 -17.912 -10.509 -14.248 226 HE2 PHE 30 HE2 PHE 30 -19.589 -6.620 -14.737 227 HZ PHE 30 HZ PHE 30 -19.843 -8.990 -14.110 228 H SER 31 HN SER 31 -15.587 -6.901 -12.581 229 HA SER 31 HA SER 31 -16.315 -4.079 -12.538 230 HB2 SER 31 HB2 SER 31 -18.071 -5.815 -12.295 231 HB3 SER 31 HB1 SER 31 -17.306 -6.354 -10.802 232 HG SER 31 HG SER 31 -17.605 -3.881 -10.350 233 H ALA 32 HN ALA 32 -13.798 -5.784 -11.434 234 HA ALA 32 HA ALA 32 -13.608 -4.478 -8.827 235 HB1 ALA 32 HB1 ALA 32 -12.924 -6.838 -9.015 236 HB2 ALA 32 HB2 ALA 32 -11.603 -5.798 -8.488 237 HB3 ALA 32 HB3 ALA 32 -11.665 -6.366 -10.155 238 H ILE 33 HN ILE 33 -12.296 -4.366 -12.057 239 HA ILE 33 HA ILE 33 -10.286 -2.403 -11.518 240 HB ILE 33 HB ILE 33 -11.678 -2.992 -14.140 241 HG12 ILE 33 HG12 ILE 33 -9.100 -4.142 -13.051 242 HG13 ILE 33 HG11 ILE 33 -10.635 -5.002 -13.121 243 HG21 ILE 33 HG21 ILE 33 -10.483 -0.872 -14.148 244 HG22 ILE 33 HG22 ILE 33 -9.656 -2.054 -15.165 245 HG23 ILE 33 HG23 ILE 33 -9.026 -1.676 -13.560 246 HD11 ILE 33 HD11 ILE 33 -10.612 -4.815 -15.559 247 HD12 ILE 33 HD12 ILE 33 -9.190 -5.660 -14.947 248 HD13 ILE 33 HD13 ILE 33 -9.060 -3.980 -15.475 249 H GLN 34 HN GLN 34 -10.439 -0.175 -11.533 250 HA GLN 34 HA GLN 34 -13.035 0.978 -11.273 251 HB2 GLN 34 HB2 GLN 34 -11.921 3.071 -10.901 252 HB3 GLN 34 HB1 GLN 34 -11.016 1.823 -10.064 253 HG2 GLN 34 HG2 GLN 34 -9.331 3.060 -11.000 254 HG3 GLN 34 HG1 GLN 34 -9.557 1.815 -12.225 255 HE21 GLN 34 HE21 GLN 34 -8.719 3.093 -13.845 256 HE22 GLN 34 HE22 GLN 34 -9.576 4.437 -14.504 257 H GLY 35 HN GLY 35 -14.100 2.399 -12.639 258 HA2 GLY 35 HA2 GLY 35 -13.265 3.543 -14.970 259 HA3 GLY 35 HA1 GLY 35 -13.686 1.900 -15.436 260 H ASP 36 HN ASP 36 -14.849 4.795 -15.691 261 HA ASP 36 HA ASP 36 -17.442 4.708 -14.579 262 HB2 ASP 36 HB2 ASP 36 -16.554 6.162 -17.085 263 HB3 ASP 36 HB1 ASP 36 -17.970 6.531 -16.105 264 H GLY 37 HN GLY 37 -18.820 3.098 -14.986 265 HA2 GLY 37 HA2 GLY 37 -20.194 1.695 -16.220 266 HA3 GLY 37 HA1 GLY 37 -19.557 2.425 -17.690 267 H PHE 38 HN PHE 38 -17.845 1.491 -18.738 268 HA PHE 38 HA PHE 38 -16.506 -0.773 -17.455 269 HB2 PHE 38 HB2 PHE 38 -17.863 -0.838 -20.146 270 HB3 PHE 38 HB1 PHE 38 -16.607 -1.985 -19.696 271 HD1 PHE 38 HD1 PHE 38 -16.990 -3.498 -17.738 272 HD2 PHE 38 HD2 PHE 38 -20.083 -1.113 -19.431 273 HE1 PHE 38 HE1 PHE 38 -18.676 -4.926 -16.656 274 HE2 PHE 38 HE2 PHE 38 -21.774 -2.533 -18.346 275 HZ PHE 38 HZ PHE 38 -21.071 -4.442 -16.958 276 H LYS 39 HN LYS 39 -14.635 0.378 -17.230 277 HA LYS 39 HA LYS 39 -13.259 0.995 -19.752 278 HB2 LYS 39 HB2 LYS 39 -13.696 2.722 -17.443 279 HB3 LYS 39 HB1 LYS 39 -11.993 2.567 -17.852 280 HG2 LYS 39 HG2 LYS 39 -12.875 4.472 -18.983 281 HG3 LYS 39 HG1 LYS 39 -12.546 3.221 -20.182 282 HD2 LYS 39 HD2 LYS 39 -14.966 2.594 -20.070 283 HD3 LYS 39 HD1 LYS 39 -15.224 4.002 -19.036 284 HE2 LYS 39 HE2 LYS 39 -14.378 5.456 -20.819 285 HE3 LYS 39 HE1 LYS 39 -14.138 4.047 -21.851 286 HZ1 LYS 39 HZ1 LYS 39 -16.713 5.126 -20.845 287 HZ2 LYS 39 HZ2 LYS 39 -16.570 3.622 -21.610 288 HZ3 LYS 39 HZ3 LYS 39 -16.185 5.041 -22.455 289 H SER 40 HN SER 40 -12.321 -1.043 -19.770 290 HA SER 40 HA SER 40 -10.738 -1.975 -17.575 291 HB2 SER 40 HB2 SER 40 -10.751 -2.891 -20.463 292 HB3 SER 40 HB1 SER 40 -10.096 -3.779 -19.085 293 HG SER 40 HG SER 40 -12.470 -3.337 -18.322 294 H LEU 41 HN LEU 41 -8.762 -1.335 -17.082 295 HA LEU 41 HA LEU 41 -7.418 0.643 -18.578 296 HB2 LEU 41 HB2 LEU 41 -6.453 -1.062 -16.284 297 HB3 LEU 41 HB1 LEU 41 -5.592 0.326 -16.924 298 HG LEU 41 HG LEU 41 -8.337 0.417 -15.661 299 HD11 LEU 41 HD11 LEU 41 -5.669 1.331 -14.598 300 HD12 LEU 41 HD12 LEU 41 -6.590 -0.062 -14.029 301 HD13 LEU 41 HD13 LEU 41 -7.234 1.566 -13.819 302 HD21 LEU 41 HD21 LEU 41 -8.049 2.125 -17.367 303 HD22 LEU 41 HD22 LEU 41 -6.525 2.626 -16.632 304 HD23 LEU 41 HD23 LEU 41 -8.042 2.848 -15.758 305 H ASP 42 HN ASP 42 -5.526 0.567 -19.740 306 HA ASP 42 HA ASP 42 -5.384 -1.648 -21.495 307 HB2 ASP 42 HB2 ASP 42 -5.018 0.641 -22.249 308 HB3 ASP 42 HB1 ASP 42 -3.588 0.767 -21.230 309 H GLU 43 HN GLU 43 -3.685 -3.047 -21.938 310 HA GLU 43 HA GLU 43 -2.357 -4.123 -19.692 311 HB2 GLU 43 HB2 GLU 43 -1.175 -5.533 -21.414 312 HB3 GLU 43 HB1 GLU 43 -2.932 -5.597 -21.473 313 HG2 GLU 43 HG2 GLU 43 -2.982 -4.138 -23.373 314 HG3 GLU 43 HG1 GLU 43 -1.245 -3.861 -23.260 315 H GLY 44 HN GLY 44 -0.306 -3.896 -18.953 316 HA2 GLY 44 HA2 GLY 44 1.914 -3.150 -18.952 317 HA3 GLY 44 HA1 GLY 44 1.614 -2.311 -20.468 318 H GLN 45 HN GLN 45 -0.928 -1.489 -18.598 319 HA GLN 45 HA GLN 45 0.227 1.066 -17.895 320 HB2 GLN 45 HB2 GLN 45 -2.040 0.956 -18.816 321 HB3 GLN 45 HB1 GLN 45 -2.553 -0.048 -17.468 322 HG2 GLN 45 HG2 GLN 45 -3.289 2.253 -17.212 323 HG3 GLN 45 HG1 GLN 45 -2.177 1.782 -15.928 324 HE21 GLN 45 HE21 GLN 45 -2.636 3.740 -18.758 325 HE22 GLN 45 HE22 GLN 45 -1.236 4.742 -18.538 326 H ALA 46 HN ALA 46 0.607 1.845 -15.878 327 HA ALA 46 HA ALA 46 0.963 -0.096 -13.766 328 HB1 ALA 46 HB1 ALA 46 1.506 2.874 -13.804 329 HB2 ALA 46 HB2 ALA 46 2.672 1.602 -14.172 330 HB3 ALA 46 HB3 ALA 46 2.005 1.744 -12.545 331 H VAL 47 HN VAL 47 -0.573 -0.594 -12.400 332 HA VAL 47 HA VAL 47 -2.678 1.396 -11.835 333 HB VAL 47 HB VAL 47 -4.234 -0.443 -11.462 334 HG11 VAL 47 HG11 VAL 47 -4.418 -1.260 -13.778 335 HG12 VAL 47 HG12 VAL 47 -2.803 -0.634 -14.110 336 HG13 VAL 47 HG13 VAL 47 -4.111 0.474 -13.697 337 HG21 VAL 47 HG21 VAL 47 -3.609 -2.762 -12.028 338 HG22 VAL 47 HG22 VAL 47 -2.696 -2.136 -10.656 339 HG23 VAL 47 HG23 VAL 47 -1.937 -2.241 -12.243 340 H THR 48 HN THR 48 -3.772 1.023 -9.698 341 HA THR 48 HA THR 48 -1.948 -0.076 -7.666 342 HB THR 48 HB THR 48 -2.737 1.882 -6.190 343 HG1 THR 48 HG1 THR 48 -3.331 3.758 -7.370 344 HG21 THR 48 HG21 THR 48 -0.435 1.629 -7.059 345 HG22 THR 48 HG22 THR 48 -0.928 3.315 -6.932 346 HG23 THR 48 HG23 THR 48 -0.906 2.519 -8.505 347 H PHE 49 HN PHE 49 -3.062 -1.769 -6.930 348 HA PHE 49 HA PHE 49 -5.966 -1.430 -6.563 349 HB2 PHE 49 HB2 PHE 49 -6.134 -3.883 -7.017 350 HB3 PHE 49 HB1 PHE 49 -5.572 -2.937 -8.391 351 HD1 PHE 49 HD1 PHE 49 -4.527 -5.245 -5.724 352 HD2 PHE 49 HD2 PHE 49 -3.432 -3.302 -9.339 353 HE1 PHE 49 HE1 PHE 49 -2.565 -6.717 -5.911 354 HE2 PHE 49 HE2 PHE 49 -1.462 -4.760 -9.530 355 HZ PHE 49 HZ PHE 49 -1.028 -6.471 -7.818 356 H ASP 50 HN ASP 50 -6.938 -2.923 -4.968 357 HA ASP 50 HA ASP 50 -5.203 -3.220 -2.628 358 HB2 ASP 50 HB2 ASP 50 -7.411 -2.059 -2.417 359 HB3 ASP 50 HB1 ASP 50 -8.204 -3.569 -2.852 360 H VAL 51 HN VAL 51 -4.524 -5.196 -1.954 361 HA VAL 51 HA VAL 51 -5.028 -7.378 -3.770 362 HB VAL 51 HB VAL 51 -2.747 -7.035 -3.043 363 HG11 VAL 51 HG11 VAL 51 -2.034 -7.424 -0.735 364 HG12 VAL 51 HG12 VAL 51 -3.719 -7.609 -0.248 365 HG13 VAL 51 HG13 VAL 51 -3.144 -6.056 -0.854 366 HG21 VAL 51 HG21 VAL 51 -3.865 -9.584 -1.884 367 HG22 VAL 51 HG22 VAL 51 -2.185 -9.298 -2.339 368 HG23 VAL 51 HG23 VAL 51 -3.441 -9.313 -3.576 369 H GLU 52 HN GLU 52 -6.615 -8.725 -3.568 370 HA GLU 52 HA GLU 52 -7.938 -9.112 -1.009 371 HB2 GLU 52 HB2 GLU 52 -9.284 -8.792 -3.070 372 HB3 GLU 52 HB1 GLU 52 -8.577 -10.253 -3.742 373 HG2 GLU 52 HG2 GLU 52 -9.587 -11.560 -1.927 374 HG3 GLU 52 HG1 GLU 52 -10.324 -10.089 -1.295 375 H GLU 53 HN GLU 53 -7.089 -10.554 0.319 376 HA GLU 53 HA GLU 53 -5.382 -12.667 -0.556 377 HB2 GLU 53 HB2 GLU 53 -6.647 -12.091 2.127 378 HB3 GLU 53 HB1 GLU 53 -5.475 -13.369 1.845 379 HG2 GLU 53 HG2 GLU 53 -4.937 -10.456 1.332 380 HG3 GLU 53 HG1 GLU 53 -4.537 -11.287 2.834 381 H GLY 54 HN GLY 54 -6.644 -13.839 -2.012 382 HA2 GLY 54 HA2 GLY 54 -9.140 -15.006 -1.094 383 HA3 GLY 54 HA1 GLY 54 -8.457 -15.135 -2.708 384 H GLN 55 HN GLN 55 -9.570 -17.281 -1.336 385 HA GLN 55 HA GLN 55 -7.421 -18.860 -0.209 386 HB2 GLN 55 HB2 GLN 55 -9.895 -18.839 0.504 387 HB3 GLN 55 HB1 GLN 55 -10.187 -19.825 -0.919 388 HG2 GLN 55 HG2 GLN 55 -8.839 -21.588 -0.072 389 HG3 GLN 55 HG1 GLN 55 -8.251 -20.578 1.250 390 HE21 GLN 55 HE21 GLN 55 -9.623 -23.145 1.351 391 HE22 GLN 55 HE22 GLN 55 -11.058 -22.888 2.281 392 H ARG 56 HN ARG 56 -8.213 -17.995 -3.235 393 HA ARG 56 HA ARG 56 -7.269 -20.523 -4.410 394 HB2 ARG 56 HB2 ARG 56 -9.185 -18.475 -5.524 395 HB3 ARG 56 HB1 ARG 56 -8.445 -19.731 -6.508 396 HG2 ARG 56 HG2 ARG 56 -9.495 -21.449 -5.162 397 HG3 ARG 56 HG1 ARG 56 -10.180 -20.222 -4.095 398 HD2 ARG 56 HD2 ARG 56 -10.755 -20.438 -7.045 399 HD3 ARG 56 HD1 ARG 56 -11.780 -21.107 -5.776 400 HE ARG 56 HE ARG 56 -11.398 -18.414 -5.197 401 HH11 ARG 56 HH11 ARG 56 -12.895 -20.371 -7.694 402 HH12 ARG 56 HH12 ARG 56 -14.097 -19.170 -8.081 403 HH21 ARG 56 HH21 ARG 56 -12.982 -16.846 -5.704 404 HH22 ARG 56 HH22 ARG 56 -14.143 -17.180 -6.955 405 H GLY 57 HN GLY 57 -5.966 -17.893 -3.437 406 HA2 GLY 57 HA2 GLY 57 -3.692 -17.496 -4.361 407 HA3 GLY 57 HA1 GLY 57 -4.472 -17.355 -5.931 408 HA PRO 58 HA PRO 58 -4.196 -13.136 -3.755 409 HB2 PRO 58 HB2 PRO 58 -2.317 -12.027 -5.396 410 HB3 PRO 58 HB1 PRO 58 -1.928 -12.821 -3.867 411 HG2 PRO 58 HG2 PRO 58 -1.740 -13.877 -6.656 412 HG3 PRO 58 HG1 PRO 58 -0.623 -14.094 -5.297 413 HD2 PRO 58 HD2 PRO 58 -2.395 -16.000 -6.063 414 HD3 PRO 58 HD1 PRO 58 -1.874 -15.794 -4.379 415 H GLN 59 HN GLN 59 -5.938 -12.069 -4.457 416 HA GLN 59 HA GLN 59 -6.276 -11.761 -7.363 417 HB2 GLN 59 HB2 GLN 59 -8.416 -12.110 -5.259 418 HB3 GLN 59 HB1 GLN 59 -8.723 -11.770 -6.960 419 HG2 GLN 59 HG2 GLN 59 -7.562 -13.869 -7.549 420 HG3 GLN 59 HG1 GLN 59 -7.379 -14.218 -5.833 421 HE21 GLN 59 HE21 GLN 59 -9.584 -13.979 -8.488 422 HE22 GLN 59 HE22 GLN 59 -10.899 -14.821 -7.746 423 H ALA 60 HN ALA 60 -7.702 -9.846 -7.921 424 HA ALA 60 HA ALA 60 -6.741 -7.603 -6.272 425 HB1 ALA 60 HB1 ALA 60 -5.697 -7.755 -8.489 426 HB2 ALA 60 HB2 ALA 60 -6.631 -6.272 -8.290 427 HB3 ALA 60 HB3 ALA 60 -7.288 -7.609 -9.235 428 H ALA 61 HN ALA 61 -8.169 -6.405 -5.310 429 HA ALA 61 HA ALA 61 -10.798 -6.000 -6.571 430 HB1 ALA 61 HB1 ALA 61 -11.819 -5.905 -4.350 431 HB2 ALA 61 HB2 ALA 61 -10.265 -6.285 -3.610 432 HB3 ALA 61 HB3 ALA 61 -11.073 -7.479 -4.628 433 H ASN 62 HN ASN 62 -11.588 -3.893 -6.448 434 HA ASN 62 HA ASN 62 -11.378 -1.637 -6.575 435 HB2 ASN 62 HB2 ASN 62 -9.771 -1.963 -4.027 436 HB3 ASN 62 HB1 ASN 62 -10.486 -0.463 -4.609 437 HD21 ASN 62 HD21 ASN 62 -11.031 -3.458 -3.013 438 HD22 ASN 62 HD22 ASN 62 -12.689 -3.185 -2.600 439 H VAL 63 HN VAL 63 -10.102 -1.903 -8.487 440 HA VAL 63 HA VAL 63 -7.208 -1.549 -8.146 441 HB VAL 63 HB VAL 63 -8.760 -2.208 -10.656 442 HG11 VAL 63 HG11 VAL 63 -6.569 -2.801 -11.589 443 HG12 VAL 63 HG12 VAL 63 -5.796 -2.235 -10.108 444 HG13 VAL 63 HG13 VAL 63 -6.660 -1.096 -11.143 445 HG21 VAL 63 HG21 VAL 63 -7.167 -4.024 -8.854 446 HG22 VAL 63 HG22 VAL 63 -7.905 -4.483 -10.389 447 HG23 VAL 63 HG23 VAL 63 -8.920 -4.012 -9.024 448 H GLN 64 HN GLN 64 -6.641 0.516 -8.035 449 HA GLN 64 HA GLN 64 -8.050 2.532 -9.609 450 HB2 GLN 64 HB2 GLN 64 -5.814 2.852 -7.596 451 HB3 GLN 64 HB1 GLN 64 -6.758 4.150 -8.309 452 HG2 GLN 64 HG2 GLN 64 -8.740 3.391 -7.174 453 HG3 GLN 64 HG1 GLN 64 -7.878 1.986 -6.547 454 HE21 GLN 64 HE21 GLN 64 -9.240 4.142 -5.105 455 HE22 GLN 64 HE22 GLN 64 -8.045 4.840 -4.064 456 H LYS 65 HN LYS 65 -6.168 4.344 -10.156 457 HA LYS 65 HA LYS 65 -4.247 2.938 -11.890 458 HB2 LYS 65 HB2 LYS 65 -6.037 4.135 -13.124 459 HB3 LYS 65 HB1 LYS 65 -5.567 5.629 -12.328 460 HG2 LYS 65 HG2 LYS 65 -3.349 5.463 -13.400 461 HG3 LYS 65 HG1 LYS 65 -3.905 4.020 -14.253 462 HD2 LYS 65 HD2 LYS 65 -5.695 5.331 -15.293 463 HD3 LYS 65 HD1 LYS 65 -5.129 6.770 -14.447 464 HE2 LYS 65 HE2 LYS 65 -3.565 5.175 -16.468 465 HE3 LYS 65 HE1 LYS 65 -4.363 6.717 -16.768 466 HZ1 LYS 65 HZ1 LYS 65 -2.205 7.353 -16.359 467 HZ2 LYS 65 HZ2 LYS 65 -1.941 6.153 -15.192 468 HZ3 LYS 65 HZ3 LYS 65 -2.882 7.512 -14.808 469 H ALA 66 HN ALA 66 -2.123 3.630 -11.827 470 HA ALA 66 HA ALA 66 -1.439 5.287 -9.538 471 HB1 ALA 66 HB1 ALA 66 0.854 4.519 -9.916 472 HB2 ALA 66 HB2 ALA 66 0.338 3.695 -11.388 473 HB3 ALA 66 HB3 ALA 66 -0.272 3.164 -9.819
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