NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5133 | 1gh9 | 4740 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -10.568 -11.584 4.673 2 2H MET 1 HT2 MET 1 -10.508 -11.744 6.381 3 3H MET 1 HT3 MET 1 -10.247 -13.113 5.382 4 HA MET 1 HA MET 1 -8.196 -12.355 6.236 5 1HB MET 1 HB1 MET 1 -8.450 -11.540 3.337 6 2HB MET 1 HB2 MET 1 -7.029 -12.192 4.142 7 1HG MET 1 HG1 MET 1 -9.557 -13.614 3.383 8 2HG MET 1 HG2 MET 1 -7.908 -13.945 2.856 9 1HE MET 1 HE1 MET 1 -10.613 -15.268 4.498 10 2HE MET 1 HE2 MET 1 -9.963 -16.457 5.626 11 3HE MET 1 HE3 MET 1 -9.550 -16.548 3.914 12 H TYR 2 HN TYR 2 -6.454 -10.573 5.343 13 HA TYR 2 HA TYR 2 -7.584 -8.006 6.216 14 1HB TYR 2 HB2 TYR 2 -4.986 -9.357 6.624 15 2HB TYR 2 HB1 TYR 2 -4.897 -7.622 6.332 16 HD1 TYR 2 HD1 TYR 2 -5.279 -6.118 8.074 17 HD2 TYR 2 HD2 TYR 2 -6.561 -10.153 8.496 18 HE1 TYR 2 HE1 TYR 2 -5.840 -5.688 10.429 19 HE2 TYR 2 HE2 TYR 2 -7.126 -9.734 10.851 20 HH TYR 2 HH TYR 2 -6.506 -6.580 12.358 21 H ILE 3 HN ILE 3 -6.920 -6.068 5.183 22 HA ILE 3 HA ILE 3 -5.902 -6.397 2.439 23 HB ILE 3 HB ILE 3 -7.450 -4.548 1.764 24 1HG1 ILE 3 HG12 ILE 3 -9.104 -5.179 4.181 25 2HG1 ILE 3 HG11 ILE 3 -7.815 -3.985 4.311 26 1HG2 ILE 3 HG21 ILE 3 -9.137 -5.989 1.187 27 2HG2 ILE 3 HG22 ILE 3 -9.141 -6.787 2.761 28 3HG2 ILE 3 HG23 ILE 3 -7.854 -7.126 1.603 29 1HD1 ILE 3 HD11 ILE 3 -10.034 -3.857 2.289 30 2HD1 ILE 3 HD12 ILE 3 -8.829 -2.618 2.636 31 3HD1 ILE 3 HD13 ILE 3 -10.048 -3.027 3.844 32 H ILE 4 HN ILE 4 -5.050 -4.350 1.515 33 HA ILE 4 HA ILE 4 -4.110 -2.489 3.594 34 HB ILE 4 HB ILE 4 -2.522 -3.905 1.492 35 1HG1 ILE 4 HG12 ILE 4 -0.886 -3.538 3.602 36 2HG1 ILE 4 HG11 ILE 4 -2.443 -3.448 4.421 37 1HG2 ILE 4 HG21 ILE 4 -2.257 -1.071 2.171 38 2HG2 ILE 4 HG22 ILE 4 -1.621 -1.977 0.798 39 3HG2 ILE 4 HG23 ILE 4 -0.768 -2.002 2.343 40 1HD1 ILE 4 HD11 ILE 4 -2.992 -5.642 3.265 41 2HD1 ILE 4 HD12 ILE 4 -1.805 -5.683 4.568 42 3HD1 ILE 4 HD13 ILE 4 -1.272 -5.734 2.888 43 H PHE 5 HN PHE 5 -3.840 -0.319 2.932 44 HA PHE 5 HA PHE 5 -4.777 0.396 0.255 45 1HB PHE 5 HB2 PHE 5 -6.102 2.259 1.748 46 2HB PHE 5 HB1 PHE 5 -6.838 0.806 1.085 47 HD1 PHE 5 HD1 PHE 5 -7.332 -1.103 2.510 48 HD2 PHE 5 HD2 PHE 5 -5.653 2.471 4.094 49 HE1 PHE 5 HE1 PHE 5 -7.934 -1.827 4.784 50 HE2 PHE 5 HE2 PHE 5 -6.254 1.754 6.363 51 HZ PHE 5 HZ PHE 5 -7.391 -0.394 6.713 52 H ARG 6 HN ARG 6 -4.961 3.128 0.554 53 HA ARG 6 HA ARG 6 -2.420 3.963 1.758 54 1HB ARG 6 HB2 ARG 6 -3.221 4.242 -1.127 55 2HB ARG 6 HB1 ARG 6 -2.076 5.355 -0.392 56 1HG ARG 6 HG2 ARG 6 -1.111 2.874 0.327 57 2HG ARG 6 HG1 ARG 6 -1.694 2.637 -1.321 58 1HD ARG 6 HD2 ARG 6 0.126 4.888 -0.487 59 2HD ARG 6 HD1 ARG 6 0.697 3.355 -1.145 60 HE ARG 6 HE ARG 6 -1.231 4.810 -2.758 61 1HH1 ARG 6 HH21 ARG 6 2.111 4.050 -2.134 62 2HH1 ARG 6 HH22 ARG 6 2.647 4.517 -3.713 63 1HH2 ARG 6 HH11 ARG 6 -0.535 5.427 -4.840 64 2HH2 ARG 6 HH12 ARG 6 1.143 5.300 -5.252 65 H CYS 7 HN CYS 7 -2.559 5.829 2.823 66 HA CYS 7 HA CYS 7 -5.030 7.277 2.861 67 1HB CYS 7 HB2 CYS 7 -3.479 6.864 4.851 68 2HB CYS 7 HB1 CYS 7 -2.450 8.122 4.171 69 HG CYS 7 HG CYS 7 -3.848 9.694 5.401 70 H ASP 8 HN ASP 8 -5.054 9.687 2.619 71 HA ASP 8 HA ASP 8 -4.239 10.413 0.052 72 1HB ASP 8 HB1 ASP 8 -5.246 11.991 2.406 73 2HB ASP 8 HB2 ASP 8 -4.783 12.798 0.911 74 H CYS 9 HN CYS 9 -2.650 10.763 3.126 75 HA CYS 9 HA CYS 9 -0.661 12.629 2.246 76 1HB CYS 9 HB2 CYS 9 -0.765 10.745 4.612 77 2HB CYS 9 HB1 CYS 9 0.509 11.934 4.354 78 HG CYS 9 HG CYS 9 -2.378 12.571 5.228 79 H GLY 10 HN GLY 10 -1.270 9.654 1.196 80 1HA GLY 10 HA2 GLY 10 0.030 8.299 -0.189 81 2HA GLY 10 HA1 GLY 10 1.458 9.195 0.318 82 H ARG 11 HN ARG 11 -0.615 8.178 2.814 83 HA ARG 11 HA ARG 11 1.434 6.439 3.880 84 1HB ARG 11 HB1 ARG 11 -1.301 7.092 4.987 85 2HB ARG 11 HB2 ARG 11 0.009 6.308 5.856 86 1HG ARG 11 HG2 ARG 11 0.513 8.981 4.661 87 2HG ARG 11 HG1 ARG 11 -0.476 8.877 6.120 88 1HD ARG 11 HD2 ARG 11 2.344 7.878 5.753 89 2HD ARG 11 HD1 ARG 11 1.815 9.227 6.756 90 HE ARG 11 HE ARG 11 0.623 6.694 7.443 91 1HH1 ARG 11 HH21 ARG 11 3.299 8.863 7.965 92 2HH1 ARG 11 HH22 ARG 11 3.688 8.214 9.523 93 1HH2 ARG 11 HH11 ARG 11 1.127 5.833 9.493 94 2HH2 ARG 11 HH12 ARG 11 2.453 6.492 10.391 95 H ALA 12 HN ALA 12 0.079 4.511 5.224 96 HA ALA 12 HA ALA 12 -1.687 3.058 3.475 97 1HB ALA 12 HB1 ALA 12 0.965 1.773 4.076 98 2HB ALA 12 HB2 ALA 12 0.630 2.628 2.570 99 3HB ALA 12 HB3 ALA 12 -0.307 1.197 3.001 100 H LEU 13 HN LEU 13 -2.770 1.382 4.533 101 HA LEU 13 HA LEU 13 -1.954 0.714 7.254 102 1HB LEU 13 HB1 LEU 13 -4.372 2.267 6.533 103 2HB LEU 13 HB2 LEU 13 -4.573 1.017 7.743 104 HG LEU 13 HG LEU 13 -2.301 2.883 8.133 105 1HD1 LEU 13 HD21 LEU 13 -3.760 4.588 7.601 106 2HD1 LEU 13 HD22 LEU 13 -4.031 4.402 9.333 107 3HD1 LEU 13 HD23 LEU 13 -5.171 3.705 8.184 108 1HD2 LEU 13 HD11 LEU 13 -2.550 1.262 9.801 109 2HD2 LEU 13 HD12 LEU 13 -4.303 1.450 9.847 110 3HD2 LEU 13 HD13 LEU 13 -3.264 2.719 10.493 111 H TYR 14 HN TYR 14 -4.014 -0.764 8.129 112 HA TYR 14 HA TYR 14 -4.656 -2.707 6.017 113 1HB TYR 14 HB2 TYR 14 -4.074 -4.545 7.636 114 2HB TYR 14 HB1 TYR 14 -2.699 -3.633 7.023 115 HD1 TYR 14 HD1 TYR 14 -4.769 -4.336 9.965 116 HD2 TYR 14 HD2 TYR 14 -1.397 -2.206 8.484 117 HE1 TYR 14 HE1 TYR 14 -4.050 -3.882 12.272 118 HE2 TYR 14 HE2 TYR 14 -0.668 -1.747 10.787 119 HH TYR 14 HH TYR 14 -2.573 -1.997 13.404 120 H SER 15 HN SER 15 -6.581 -3.811 6.297 121 HA SER 15 HA SER 15 -8.053 -3.639 8.777 122 1HB SER 15 HB1 SER 15 -8.524 -1.462 7.568 123 2HB SER 15 HB2 SER 15 -9.306 -2.419 6.309 124 HG SER 15 HG SER 15 -10.027 -2.443 9.054 125 H ARG 16 HN ARG 16 -10.528 -4.413 8.027 126 HA ARG 16 HA ARG 16 -10.078 -7.116 7.172 127 1HB ARG 16 HB1 ARG 16 -12.385 -7.498 7.661 128 2HB ARG 16 HB2 ARG 16 -11.731 -6.473 8.932 129 1HG ARG 16 HG1 ARG 16 -13.143 -4.812 8.468 130 2HG ARG 16 HG2 ARG 16 -12.893 -4.966 6.726 131 1HD ARG 16 HD2 ARG 16 -14.303 -7.184 7.121 132 2HD ARG 16 HD1 ARG 16 -14.916 -6.242 8.481 133 HE ARG 16 HE ARG 16 -14.967 -5.104 5.775 134 1HH1 ARG 16 HH21 ARG 16 -16.636 -6.250 8.611 135 2HH1 ARG 16 HH22 ARG 16 -18.167 -5.601 8.130 136 1HH2 ARG 16 HH12 ARG 16 -16.980 -4.247 5.133 137 2HH2 ARG 16 HH11 ARG 16 -18.363 -4.462 6.152 138 H GLU 17 HN GLU 17 -10.874 -8.143 5.347 139 HA GLU 17 HA GLU 17 -10.718 -6.780 2.930 140 1HB GLU 17 HB1 GLU 17 -10.718 -9.371 3.590 141 2HB GLU 17 HB2 GLU 17 -12.385 -9.242 3.047 142 1HG GLU 17 HG2 GLU 17 -11.261 -8.067 0.976 143 2HG GLU 17 HG1 GLU 17 -9.860 -8.997 1.506 144 H GLY 18 HN GLY 18 -12.027 -5.144 2.370 145 1HA GLY 18 HA1 GLY 18 -14.386 -5.154 1.272 146 2HA GLY 18 HA2 GLY 18 -14.901 -5.375 2.936 147 H ALA 19 HN ALA 19 -12.280 -3.546 3.312 148 HA ALA 19 HA ALA 19 -13.806 -1.156 3.734 149 1HB ALA 19 HB1 ALA 19 -10.987 -0.685 3.890 150 2HB ALA 19 HB2 ALA 19 -11.386 -2.201 4.699 151 3HB ALA 19 HB3 ALA 19 -12.189 -0.706 5.181 152 H LYS 20 HN LYS 20 -14.388 0.096 2.083 153 HA LYS 20 HA LYS 20 -12.709 0.272 -0.292 154 1HB LYS 20 HB2 LYS 20 -15.527 0.923 0.374 155 2HB LYS 20 HB1 LYS 20 -14.758 1.925 -0.850 156 1HG LYS 20 HG2 LYS 20 -15.684 0.278 -2.141 157 2HG LYS 20 HG1 LYS 20 -14.064 -0.372 -1.880 158 1HD LYS 20 HD1 LYS 20 -15.633 -1.230 0.293 159 2HD LYS 20 HD2 LYS 20 -16.599 -1.494 -1.161 160 1HE LYS 20 HE2 LYS 20 -13.745 -2.406 -0.833 161 2HE LYS 20 HE1 LYS 20 -15.150 -3.424 -0.521 162 1HZ LYS 20 HZ1 LYS 20 -15.598 -2.407 -3.012 163 2HZ LYS 20 HZ2 LYS 20 -15.034 -3.962 -2.660 164 3HZ LYS 20 HZ3 LYS 20 -13.936 -2.724 -3.011 165 H THR 21 HN THR 21 -13.841 2.261 2.374 166 HA THR 21 HA THR 21 -11.743 4.191 1.772 167 HB THR 21 HB THR 21 -13.567 6.002 2.376 168 HG1 THR 21 HG1 THR 21 -15.080 3.946 2.327 169 1HG2 THR 21 HG21 THR 21 -12.281 5.537 0.143 170 2HG2 THR 21 HG22 THR 21 -13.662 6.634 0.195 171 3HG2 THR 21 HG23 THR 21 -13.868 4.982 -0.390 172 H ARG 22 HN ARG 22 -10.586 4.141 3.567 173 HA ARG 22 HA ARG 22 -11.867 3.766 6.154 174 1HB ARG 22 HB1 ARG 22 -9.098 3.571 5.095 175 2HB ARG 22 HB2 ARG 22 -9.269 4.034 6.783 176 1HG ARG 22 HG1 ARG 22 -10.555 1.587 5.598 177 2HG ARG 22 HG2 ARG 22 -8.965 1.586 6.365 178 1HD ARG 22 HD1 ARG 22 -11.625 2.223 7.621 179 2HD ARG 22 HD2 ARG 22 -10.536 0.890 8.008 180 HE ARG 22 HE ARG 22 -9.882 3.717 8.544 181 1HH1 ARG 22 HH21 ARG 22 -9.908 0.349 9.444 182 2HH1 ARG 22 HH22 ARG 22 -9.081 0.611 10.942 183 1HH2 ARG 22 HH12 ARG 22 -8.793 4.070 10.516 184 2HH2 ARG 22 HH11 ARG 22 -8.448 2.725 11.553 185 H LYS 23 HN LYS 23 -10.305 5.156 7.877 186 HA LYS 23 HA LYS 23 -10.178 7.929 7.031 187 1HB LYS 23 HB1 LYS 23 -12.536 7.609 7.728 188 2HB LYS 23 HB2 LYS 23 -11.979 7.077 9.308 189 1HG LYS 23 HG2 LYS 23 -10.978 9.271 9.697 190 2HG LYS 23 HG1 LYS 23 -11.536 9.804 8.110 191 1HD LYS 23 HD2 LYS 23 -13.814 8.790 9.315 192 2HD LYS 23 HD1 LYS 23 -12.977 9.628 10.623 193 1HE LYS 23 HE2 LYS 23 -12.959 11.158 8.161 194 2HE LYS 23 HE1 LYS 23 -14.597 10.776 8.689 195 1HZ LYS 23 HZ1 LYS 23 -13.830 11.609 10.949 196 2HZ LYS 23 HZ2 LYS 23 -14.084 12.769 9.746 197 3HZ LYS 23 HZ3 LYS 23 -12.510 12.286 10.136 198 H CYS 24 HN CYS 24 -8.801 9.157 8.250 199 HA CYS 24 HA CYS 24 -7.210 7.685 10.213 200 1HB CYS 24 HB2 CYS 24 -6.535 9.441 8.115 201 2HB CYS 24 HB1 CYS 24 -6.183 10.310 9.606 202 HG CYS 24 HG CYS 24 -4.480 8.497 10.244 203 H VAL 25 HN VAL 25 -7.365 8.096 12.302 204 HA VAL 25 HA VAL 25 -9.271 9.928 13.316 205 HB VAL 25 HB VAL 25 -7.110 8.800 15.049 206 1HG1 VAL 25 HG11 VAL 25 -8.538 9.804 16.474 207 2HG1 VAL 25 HG12 VAL 25 -9.475 8.324 16.271 208 3HG1 VAL 25 HG13 VAL 25 -9.878 9.759 15.329 209 1HG2 VAL 25 HG21 VAL 25 -7.682 6.644 14.768 210 2HG2 VAL 25 HG22 VAL 25 -8.290 7.186 13.202 211 3HG2 VAL 25 HG23 VAL 25 -9.393 7.019 14.570 212 H CYS 26 HN CYS 26 -6.002 10.260 12.420 213 HA CYS 26 HA CYS 26 -5.246 12.355 14.182 214 1HB CYS 26 HB2 CYS 26 -3.793 10.835 12.614 215 2HB CYS 26 HB1 CYS 26 -4.105 12.092 11.422 216 HG CYS 26 HG CYS 26 -1.978 12.251 13.412 217 H GLY 27 HN GLY 27 -6.953 12.233 11.131 218 1HA GLY 27 HA1 GLY 27 -8.531 14.246 11.025 219 2HA GLY 27 HA2 GLY 27 -7.043 15.180 11.069 220 H ARG 28 HN ARG 28 -8.261 12.346 9.268 221 HA ARG 28 HA ARG 28 -8.243 13.666 6.760 222 1HB ARG 28 HB1 ARG 28 -6.351 11.787 6.062 223 2HB ARG 28 HB2 ARG 28 -6.063 13.511 6.242 224 1HG ARG 28 HG2 ARG 28 -5.300 13.189 8.506 225 2HG ARG 28 HG1 ARG 28 -5.706 11.474 8.430 226 1HD ARG 28 HD2 ARG 28 -4.104 11.576 6.320 227 2HD ARG 28 HD1 ARG 28 -3.443 12.952 7.201 228 HE ARG 28 HE ARG 28 -3.370 10.154 8.024 229 1HH1 ARG 28 HH11 ARG 28 -2.654 13.491 8.727 230 2HH1 ARG 28 HH12 ARG 28 -1.521 13.117 9.982 231 1HH2 ARG 28 HH21 ARG 28 -1.880 9.654 9.675 232 2HH2 ARG 28 HH22 ARG 28 -1.081 10.937 10.521 233 H THR 29 HN THR 29 -7.876 11.600 5.016 234 HA THR 29 HA THR 29 -9.549 9.393 5.971 235 HB THR 29 HB THR 29 -10.114 11.050 3.502 236 HG1 THR 29 HG1 THR 29 -11.177 12.096 5.000 237 1HG2 THR 29 HG21 THR 29 -12.243 9.304 4.049 238 2HG2 THR 29 HG22 THR 29 -10.773 8.329 4.016 239 3HG2 THR 29 HG23 THR 29 -11.194 9.339 2.632 240 H VAL 30 HN VAL 30 -9.084 7.437 5.070 241 HA VAL 30 HA VAL 30 -6.775 7.381 3.262 242 HB VAL 30 HB VAL 30 -7.899 5.114 4.904 243 1HG1 VAL 30 HG21 VAL 30 -6.653 4.006 3.361 244 2HG1 VAL 30 HG22 VAL 30 -5.355 4.447 4.471 245 3HG1 VAL 30 HG23 VAL 30 -5.635 5.406 3.018 246 1HG2 VAL 30 HG11 VAL 30 -5.371 6.566 5.549 247 2HG2 VAL 30 HG12 VAL 30 -6.405 5.595 6.598 248 3HG2 VAL 30 HG13 VAL 30 -6.919 7.206 6.098 249 H ASN 31 HN ASN 31 -7.162 7.061 1.197 250 HA ASN 31 HA ASN 31 -9.610 5.702 0.348 251 1HB ASN 31 HB1 ASN 31 -9.018 7.884 -0.683 252 2HB ASN 31 HB2 ASN 31 -7.545 7.157 -1.320 253 1HD2 ASN 31 HD22 ASN 31 -7.654 6.488 -3.327 254 2HD2 ASN 31 HD21 ASN 31 -9.084 6.003 -4.166 255 H VAL 32 HN VAL 32 -9.530 3.570 -0.017 256 HA VAL 32 HA VAL 32 -7.094 2.132 -0.184 257 HB VAL 32 HB VAL 32 -8.326 0.175 -0.368 258 1HG1 VAL 32 HG11 VAL 32 -10.605 1.139 0.949 259 2HG1 VAL 32 HG12 VAL 32 -9.290 2.234 1.376 260 3HG1 VAL 32 HG13 VAL 32 -9.127 0.503 1.672 261 1HG2 VAL 32 HG21 VAL 32 -9.582 0.732 -2.393 262 2HG2 VAL 32 HG22 VAL 32 -10.669 1.742 -1.438 263 3HG2 VAL 32 HG23 VAL 32 -10.613 -0.002 -1.163 264 H LYS 33 HN LYS 33 -7.319 0.312 -2.201 265 HA LYS 33 HA LYS 33 -6.129 1.613 -4.355 266 1HB LYS 33 HB2 LYS 33 -6.687 -1.041 -3.619 267 2HB LYS 33 HB1 LYS 33 -7.412 -0.831 -5.207 268 1HG LYS 33 HG1 LYS 33 -4.794 0.329 -5.179 269 2HG LYS 33 HG2 LYS 33 -4.725 -1.333 -4.591 270 1HD LYS 33 HD2 LYS 33 -5.909 -2.097 -6.585 271 2HD LYS 33 HD1 LYS 33 -6.004 -0.435 -7.172 272 1HE LYS 33 HE2 LYS 33 -3.296 -1.268 -6.479 273 2HE LYS 33 HE1 LYS 33 -4.017 -2.238 -7.761 274 1HZ LYS 33 HZ1 LYS 33 -4.648 0.340 -8.415 275 2HZ LYS 33 HZ2 LYS 33 -3.431 -0.600 -9.121 276 3HZ LYS 33 HZ3 LYS 33 -3.059 0.449 -7.847 277 H ASP 34 HN ASP 34 -7.085 1.039 -6.711 278 HA ASP 34 HA ASP 34 -9.521 2.624 -6.882 279 1HB ASP 34 HB2 ASP 34 -7.488 1.695 -8.905 280 2HB ASP 34 HB1 ASP 34 -9.015 2.422 -9.398 281 H ARG 35 HN ARG 35 -8.314 -0.557 -7.858 282 HA ARG 35 HA ARG 35 -10.940 -1.379 -8.780 283 1HB ARG 35 HB1 ARG 35 -8.720 -2.096 -9.833 284 2HB ARG 35 HB2 ARG 35 -8.520 -3.147 -8.437 285 1HG ARG 35 HG1 ARG 35 -9.662 -4.693 -9.532 286 2HG ARG 35 HG2 ARG 35 -11.092 -3.670 -9.381 287 1HD ARG 35 HD1 ARG 35 -9.180 -3.063 -11.569 288 2HD ARG 35 HD2 ARG 35 -10.185 -4.501 -11.736 289 HE ARG 35 HE ARG 35 -11.036 -1.760 -11.899 290 1HH1 ARG 35 HH11 ARG 35 -12.032 -5.038 -11.250 291 2HH1 ARG 35 HH12 ARG 35 -13.693 -4.747 -11.644 292 1HH2 ARG 35 HH21 ARG 35 -13.223 -1.371 -12.419 293 2HH2 ARG 35 HH22 ARG 35 -14.370 -2.663 -12.308 294 H ARG 36 HN ARG 36 -9.256 -3.877 -7.201 295 HA ARG 36 HA ARG 36 -11.350 -4.160 -5.253 296 1HB ARG 36 HB2 ARG 36 -8.826 -5.773 -5.194 297 2HB ARG 36 HB1 ARG 36 -10.466 -6.264 -4.794 298 1HG ARG 36 HG2 ARG 36 -10.991 -6.760 -6.936 299 2HG ARG 36 HG1 ARG 36 -9.966 -5.485 -7.600 300 1HD ARG 36 HD2 ARG 36 -8.096 -6.797 -7.604 301 2HD ARG 36 HD1 ARG 36 -8.643 -7.770 -6.239 302 HE ARG 36 HE ARG 36 -10.322 -8.662 -7.986 303 1HH1 ARG 36 HH12 ARG 36 -7.021 -7.740 -8.612 304 2HH1 ARG 36 HH11 ARG 36 -6.828 -8.843 -9.934 305 1HH2 ARG 36 HH22 ARG 36 -10.077 -10.117 -9.724 306 2HH2 ARG 36 HH21 ARG 36 -8.566 -10.194 -10.566 307 H ILE 37 HN ILE 37 -7.986 -4.696 -4.432 308 HA ILE 37 HA ILE 37 -7.844 -2.415 -2.655 309 HB ILE 37 HB ILE 37 -8.704 -5.006 -1.702 310 1HG1 ILE 37 HG12 ILE 37 -9.604 -2.675 -1.221 311 2HG1 ILE 37 HG11 ILE 37 -9.455 -3.756 0.161 312 1HG2 ILE 37 HG21 ILE 37 -7.249 -5.349 0.147 313 2HG2 ILE 37 HG22 ILE 37 -6.336 -3.884 -0.219 314 3HG2 ILE 37 HG23 ILE 37 -6.250 -5.273 -1.303 315 1HD1 ILE 37 HD11 ILE 37 -7.196 -2.618 0.556 316 2HD1 ILE 37 HD12 ILE 37 -8.665 -1.719 0.938 317 3HD1 ILE 37 HD13 ILE 37 -7.787 -1.381 -0.553 318 H PHE 38 HN PHE 38 -5.734 -2.185 -1.670 319 HA PHE 38 HA PHE 38 -3.639 -3.352 -3.330 320 1HB PHE 38 HB1 PHE 38 -3.987 -0.814 -2.385 321 2HB PHE 38 HB2 PHE 38 -2.882 -1.471 -1.182 322 HD1 PHE 38 HD1 PHE 38 -1.136 -3.196 -2.720 323 HD2 PHE 38 HD2 PHE 38 -2.774 0.601 -3.730 324 HE1 PHE 38 HE1 PHE 38 0.759 -2.785 -4.234 325 HE2 PHE 38 HE2 PHE 38 -0.883 1.018 -5.245 326 HZ PHE 38 HZ PHE 38 0.887 -0.676 -5.499 327 H GLY 39 HN GLY 39 -1.939 -4.564 -2.505 328 1HA GLY 39 HA1 GLY 39 -1.063 -6.244 -1.200 329 2HA GLY 39 HA2 GLY 39 -1.202 -5.045 0.076 330 H ARG 40 HN ARG 40 -2.546 -7.918 -1.318 331 HA ARG 40 HA ARG 40 -4.719 -7.978 0.630 332 1HB ARG 40 HB1 ARG 40 -4.655 -8.833 -1.940 333 2HB ARG 40 HB2 ARG 40 -4.253 -10.325 -1.101 334 1HG ARG 40 HG1 ARG 40 -6.612 -8.680 -0.278 335 2HG ARG 40 HG2 ARG 40 -6.716 -9.837 -1.609 336 1HD ARG 40 HD2 ARG 40 -5.471 -11.280 0.373 337 2HD ARG 40 HD1 ARG 40 -6.622 -10.291 1.270 338 HE ARG 40 HE ARG 40 -8.362 -11.233 -0.210 339 1HH1 ARG 40 HH22 ARG 40 -5.328 -12.911 0.140 340 2HH1 ARG 40 HH21 ARG 40 -5.987 -14.456 -0.280 341 1HH2 ARG 40 HH11 ARG 40 -9.238 -13.265 -0.764 342 2HH2 ARG 40 HH12 ARG 40 -8.209 -14.658 -0.794 343 H ALA 41 HN ALA 41 -3.654 -8.258 2.553 344 HA ALA 41 HA ALA 41 -1.804 -10.495 2.830 345 1HB ALA 41 HB1 ALA 41 -2.535 -8.218 4.655 346 2HB ALA 41 HB2 ALA 41 -1.018 -8.481 3.794 347 3HB ALA 41 HB3 ALA 41 -1.468 -9.545 5.130 348 H ASP 42 HN ASP 42 -2.412 -12.399 3.577 349 HA ASP 42 HA ASP 42 -5.062 -12.760 4.693 350 1HB ASP 42 HB2 ASP 42 -3.760 -14.328 3.033 351 2HB ASP 42 HB1 ASP 42 -3.027 -14.956 4.506 352 H ASP 43 HN ASP 43 -1.696 -12.998 5.705 353 HA ASP 43 HA ASP 43 -2.458 -13.752 8.416 354 1HB ASP 43 HB1 ASP 43 0.249 -13.319 7.142 355 2HB ASP 43 HB2 ASP 43 0.003 -13.819 8.812 356 H PHE 44 HN PHE 44 -2.413 -12.417 10.153 357 HA PHE 44 HA PHE 44 -2.599 -9.645 9.827 358 1HB PHE 44 HB1 PHE 44 -3.561 -10.703 11.766 359 2HB PHE 44 HB2 PHE 44 -1.987 -11.295 12.287 360 HD1 PHE 44 HD1 PHE 44 -3.777 -8.108 11.565 361 HD2 PHE 44 HD2 PHE 44 -0.808 -10.108 13.867 362 HE1 PHE 44 HE1 PHE 44 -3.466 -6.079 12.920 363 HE2 PHE 44 HE2 PHE 44 -0.492 -8.081 15.227 364 HZ PHE 44 HZ PHE 44 -1.823 -6.063 14.754 365 H GLU 45 HN GLU 45 0.139 -11.710 10.613 366 HA GLU 45 HA GLU 45 1.960 -9.643 11.271 367 1HB GLU 45 HB1 GLU 45 2.008 -12.495 11.032 368 2HB GLU 45 HB2 GLU 45 3.372 -11.836 10.140 369 1HG GLU 45 HG2 GLU 45 4.416 -11.866 12.106 370 2HG GLU 45 HG1 GLU 45 3.492 -10.403 12.447 371 H GLU 46 HN GLU 46 1.188 -11.321 8.254 372 HA GLU 46 HA GLU 46 3.186 -10.042 6.691 373 1HB GLU 46 HB1 GLU 46 0.734 -11.650 6.116 374 2HB GLU 46 HB2 GLU 46 1.462 -10.732 4.805 375 1HG GLU 46 HG2 GLU 46 3.630 -11.879 5.343 376 2HG GLU 46 HG1 GLU 46 2.718 -12.921 6.436 377 H ALA 47 HN ALA 47 0.017 -9.157 7.760 378 HA ALA 47 HA ALA 47 -0.668 -7.219 5.856 379 1HB ALA 47 HB1 ALA 47 -1.719 -6.253 8.205 380 2HB ALA 47 HB2 ALA 47 -1.545 -7.979 8.531 381 3HB ALA 47 HB3 ALA 47 -2.484 -7.434 7.140 382 H SER 48 HN SER 48 0.886 -6.772 9.036 383 HA SER 48 HA SER 48 1.375 -4.033 8.779 384 1HB SER 48 HB2 SER 48 1.800 -5.953 10.728 385 2HB SER 48 HB1 SER 48 3.433 -5.446 10.297 386 HG SER 48 HG SER 48 1.624 -3.391 10.599 387 H GLU 49 HN GLU 49 3.202 -6.812 7.660 388 HA GLU 49 HA GLU 49 5.580 -5.397 7.015 389 1HB GLU 49 HB2 GLU 49 4.487 -8.102 6.569 390 2HB GLU 49 HB1 GLU 49 5.642 -7.554 5.365 391 1HG GLU 49 HG2 GLU 49 6.818 -6.884 7.780 392 2HG GLU 49 HG1 GLU 49 6.077 -8.457 8.075 393 H LEU 50 HN LEU 50 2.669 -6.249 5.222 394 HA LEU 50 HA LEU 50 3.591 -5.387 2.682 395 1HB LEU 50 HB1 LEU 50 1.172 -6.450 3.831 396 2HB LEU 50 HB2 LEU 50 0.791 -5.113 2.766 397 HG LEU 50 HG LEU 50 1.951 -6.221 0.921 398 1HD1 LEU 50 HD21 LEU 50 3.051 -7.798 3.055 399 2HD1 LEU 50 HD22 LEU 50 3.550 -7.692 1.368 400 3HD1 LEU 50 HD23 LEU 50 2.298 -8.837 1.846 401 1HD2 LEU 50 HD11 LEU 50 0.462 -8.487 1.229 402 2HD2 LEU 50 HD12 LEU 50 -0.147 -6.942 0.637 403 3HD2 LEU 50 HD13 LEU 50 -0.333 -7.370 2.338 404 H VAL 51 HN VAL 51 1.835 -3.825 5.298 405 HA VAL 51 HA VAL 51 1.210 -1.423 3.971 406 HB VAL 51 HB VAL 51 1.662 -1.930 6.909 407 1HG1 VAL 51 HG21 VAL 51 0.727 0.472 5.410 408 2HG1 VAL 51 HG22 VAL 51 1.791 0.364 6.813 409 3HG1 VAL 51 HG23 VAL 51 0.053 0.130 7.003 410 1HG2 VAL 51 HG11 VAL 51 -0.353 -2.842 5.210 411 2HG2 VAL 51 HG12 VAL 51 -1.067 -1.494 6.096 412 3HG2 VAL 51 HG13 VAL 51 -0.360 -2.852 6.974 413 H ARG 52 HN ARG 52 4.036 -2.442 5.834 414 HA ARG 52 HA ARG 52 5.310 0.055 5.999 415 1HB ARG 52 HB1 ARG 52 5.972 -1.962 7.296 416 2HB ARG 52 HB2 ARG 52 6.608 -2.674 5.821 417 1HG ARG 52 HG2 ARG 52 8.526 -1.823 6.682 418 2HG ARG 52 HG1 ARG 52 7.987 -0.423 5.752 419 1HD ARG 52 HD2 ARG 52 8.520 0.505 7.807 420 2HD ARG 52 HD1 ARG 52 6.778 0.264 7.928 421 HE ARG 52 HE ARG 52 8.773 -1.545 9.131 422 1HH1 ARG 52 HH11 ARG 52 5.686 0.074 9.162 423 2HH1 ARG 52 HH12 ARG 52 5.211 -0.588 10.691 424 1HH2 ARG 52 HH22 ARG 52 8.154 -2.420 11.142 425 2HH2 ARG 52 HH21 ARG 52 6.614 -2.005 11.815 426 H LYS 53 HN LYS 53 5.440 -2.493 3.551 427 HA LYS 53 HA LYS 53 7.347 -1.179 1.891 428 1HB LYS 53 HB1 LYS 53 5.784 -3.615 1.827 429 2HB LYS 53 HB2 LYS 53 5.737 -2.810 0.263 430 1HG LYS 53 HG1 LYS 53 8.140 -2.826 0.129 431 2HG LYS 53 HG2 LYS 53 8.259 -3.490 1.760 432 1HD LYS 53 HD1 LYS 53 6.625 -4.989 -0.211 433 2HD LYS 53 HD2 LYS 53 8.378 -5.019 -0.417 434 1HE LYS 53 HE2 LYS 53 8.723 -6.203 1.494 435 2HE LYS 53 HE1 LYS 53 7.328 -5.499 2.310 436 1HZ LYS 53 HZ1 LYS 53 7.519 -7.935 0.842 437 2HZ LYS 53 HZ2 LYS 53 6.268 -6.960 0.254 438 3HZ LYS 53 HZ3 LYS 53 6.298 -7.403 1.885 439 H LEU 54 HN LEU 54 3.850 -1.207 2.165 440 HA LEU 54 HA LEU 54 3.310 0.274 -0.206 441 1HB LEU 54 HB1 LEU 54 1.827 -0.898 1.957 442 2HB LEU 54 HB2 LEU 54 1.267 0.739 1.687 443 HG LEU 54 HG LEU 54 -0.074 -0.847 0.427 444 1HD1 LEU 54 HD11 LEU 54 1.331 1.370 -0.689 445 2HD1 LEU 54 HD12 LEU 54 -0.300 0.798 -1.036 446 3HD1 LEU 54 HD13 LEU 54 1.071 0.156 -1.940 447 1HD2 LEU 54 HD21 LEU 54 2.581 -1.700 -0.674 448 2HD2 LEU 54 HD22 LEU 54 1.075 -1.993 -1.546 449 3HD2 LEU 54 HD23 LEU 54 1.315 -2.687 0.058 450 H GLN 55 HN GLN 55 4.512 1.119 2.875 451 HA GLN 55 HA GLN 55 3.516 3.752 3.085 452 1HB GLN 55 HB1 GLN 55 5.654 2.166 4.383 453 2HB GLN 55 HB2 GLN 55 5.815 3.913 4.473 454 1HG GLN 55 HG1 GLN 55 3.595 4.070 5.477 455 2HG GLN 55 HG2 GLN 55 3.432 2.317 5.386 456 1HE2 GLN 55 HE22 GLN 55 5.953 1.526 6.157 457 2HE2 GLN 55 HE21 GLN 55 6.208 1.959 7.810 458 H GLU 56 HN GLU 56 5.571 5.448 3.442 459 HA GLU 56 HA GLU 56 6.329 6.062 0.731 460 1HB GLU 56 HB1 GLU 56 6.241 7.459 3.307 461 2HB GLU 56 HB2 GLU 56 7.631 7.893 2.323 462 1HG GLU 56 HG1 GLU 56 4.876 7.885 1.160 463 2HG GLU 56 HG2 GLU 56 5.461 9.257 2.099 464 H GLU 57 HN GLU 57 7.530 3.739 1.164 465 HA GLU 57 HA GLU 57 10.161 4.003 2.273 466 1HB GLU 57 HB1 GLU 57 8.613 1.860 0.907 467 2HB GLU 57 HB2 GLU 57 10.366 1.732 0.887 468 1HG GLU 57 HG2 GLU 57 9.361 2.367 3.524 469 2HG GLU 57 HG1 GLU 57 8.664 0.877 2.889 470 H LYS 58 HN LYS 58 11.823 4.936 1.312 471 HA LYS 58 HA LYS 58 11.751 5.593 -1.484 472 1HB LYS 58 HB1 LYS 58 13.779 6.114 0.687 473 2HB LYS 58 HB2 LYS 58 13.999 6.633 -0.979 474 1HG LYS 58 HG2 LYS 58 11.440 7.504 -0.158 475 2HG LYS 58 HG1 LYS 58 12.582 7.921 1.122 476 1HD LYS 58 HD1 LYS 58 13.984 9.097 -0.438 477 2HD LYS 58 HD2 LYS 58 12.993 8.559 -1.797 478 1HE LYS 58 HE1 LYS 58 11.777 10.132 0.440 479 2HE LYS 58 HE2 LYS 58 12.664 10.950 -0.846 480 1HZ LYS 58 HZ1 LYS 58 11.166 10.095 -2.463 481 2HZ LYS 58 HZ2 LYS 58 10.231 10.770 -1.225 482 3HZ LYS 58 HZ3 LYS 58 10.404 9.091 -1.335 483 H TYR 59 HN TYR 59 11.946 2.748 -0.668 484 HA TYR 59 HA TYR 59 14.615 1.966 -1.507 485 1HB TYR 59 HB2 TYR 59 12.650 0.812 0.130 486 2HB TYR 59 HB1 TYR 59 12.737 -0.224 -1.290 487 HD1 TYR 59 HD1 TYR 59 14.423 0.870 1.727 488 HD2 TYR 59 HD2 TYR 59 14.877 -1.329 -1.887 489 HE1 TYR 59 HE1 TYR 59 16.436 -0.205 2.642 490 HE2 TYR 59 HE2 TYR 59 16.892 -2.410 -0.982 491 HH TYR 59 HH TYR 59 18.622 -1.930 0.747 492 H GLY 60 HN GLY 60 15.167 1.425 -3.513 493 1HA GLY 60 HA1 GLY 60 13.777 -0.024 -5.370 494 2HA GLY 60 HA2 GLY 60 13.246 1.629 -5.636 495 H SER 61 HN SER 61 15.422 3.140 -5.378 496 HA SER 61 HA SER 61 17.023 2.315 -7.658 497 1HB SER 61 HB2 SER 61 17.645 4.877 -6.319 498 2HB SER 61 HB1 SER 61 17.393 4.529 -8.029 499 HG SER 61 HG SER 61 15.715 5.818 -7.192 500 H CYS 62 HN CYS 62 18.243 0.640 -6.694 501 HA CYS 62 HA CYS 62 19.967 1.251 -4.452 502 1HB CYS 62 HB1 CYS 62 20.295 -1.233 -6.075 503 2HB CYS 62 HB2 CYS 62 20.399 -1.013 -4.331 504 HG CYS 62 HG CYS 62 18.150 -1.964 -4.279 505 H HIS 63 HN HIS 63 21.132 3.001 -5.492 506 HA HIS 63 HA HIS 63 23.318 1.984 -7.176 507 1HB HIS 63 HB1 HIS 63 21.673 4.478 -7.544 508 2HB HIS 63 HB2 HIS 63 23.306 4.361 -8.194 509 HD2 HIS 63 HD2 HIS 63 19.765 3.527 -9.168 510 HE1 HIS 63 HE1 HIS 63 22.291 1.248 -11.686 511 HE2 HIS 63 HE2 HIS 63 19.916 2.045 -11.294 512 H PHE 64 HN PHE 64 22.244 4.465 -4.893 513 HA PHE 64 HA PHE 64 24.855 5.523 -4.439 514 1HB PHE 64 HB2 PHE 64 22.234 5.778 -2.970 515 2HB PHE 64 HB1 PHE 64 23.709 6.535 -2.381 516 HD1 PHE 64 HD1 PHE 64 24.462 8.569 -3.265 517 HD2 PHE 64 HD2 PHE 64 21.368 6.418 -5.243 518 HE1 PHE 64 HE1 PHE 64 24.056 10.505 -4.727 519 HE2 PHE 64 HE2 PHE 64 20.957 8.351 -6.708 520 HZ PHE 64 HZ PHE 64 22.301 10.398 -6.452 521 H THR 65 HN THR 65 22.792 4.120 -1.919 522 HA THR 65 HA THR 65 25.171 2.882 -0.746 523 HB THR 65 HB THR 65 22.462 2.979 0.553 524 HG1 THR 65 HG1 THR 65 24.164 5.089 0.009 525 1HG2 THR 65 HG21 THR 65 24.889 3.521 2.095 526 2HG2 THR 65 HG22 THR 65 24.768 1.891 1.433 527 3HG2 THR 65 HG23 THR 65 23.492 2.515 2.477 528 H ASN 66 HN ASN 66 25.304 0.703 -0.279 529 HA ASN 66 HA ASN 66 23.744 -1.025 -1.964 530 1HB ASN 66 HB2 ASN 66 26.227 -1.189 -0.461 531 2HB ASN 66 HB1 ASN 66 25.249 -2.640 -0.254 532 1HD2 ASN 66 HD21 ASN 66 25.793 -4.167 -1.613 533 2HD2 ASN 66 HD22 ASN 66 26.291 -3.950 -3.253 534 HA PRO 67 HA PRO 67 20.524 -2.175 0.820 535 1HB PRO 67 HB1 PRO 67 20.866 -4.953 -0.148 536 2HB PRO 67 HB2 PRO 67 19.442 -3.911 -0.197 537 1HG PRO 67 HG1 PRO 67 20.835 -4.444 -2.412 538 2HG PRO 67 HG2 PRO 67 20.123 -2.843 -2.134 539 1HD PRO 67 HD2 PRO 67 22.964 -3.736 -1.835 540 2HD PRO 67 HD1 PRO 67 22.324 -2.210 -2.480 541 H SER 68 HN SER 68 23.302 -4.377 0.638 542 HA SER 68 HA SER 68 22.822 -5.405 3.296 543 1HB SER 68 HB2 SER 68 25.162 -6.471 2.804 544 2HB SER 68 HB1 SER 68 23.745 -7.045 1.926 545 HG SER 68 HG SER 68 24.880 -4.937 0.672 546 H LYS 69 HN LYS 69 23.998 -2.559 2.223 547 HA LYS 69 HA LYS 69 26.226 -2.336 4.073 548 1HB LYS 69 HB2 LYS 69 25.656 -1.154 1.648 549 2HB LYS 69 HB1 LYS 69 25.306 0.131 2.795 550 1HG LYS 69 HG1 LYS 69 27.843 -1.327 3.185 551 2HG LYS 69 HG2 LYS 69 27.729 -0.290 1.762 552 1HD LYS 69 HD1 LYS 69 27.212 1.620 3.115 553 2HD LYS 69 HD2 LYS 69 27.080 0.617 4.562 554 1HE LYS 69 HE2 LYS 69 29.263 0.771 4.941 555 2HE LYS 69 HE1 LYS 69 29.633 0.215 3.309 556 1HZ LYS 69 HZ1 LYS 69 29.789 2.344 2.520 557 2HZ LYS 69 HZ2 LYS 69 30.368 2.567 4.093 558 3HZ LYS 69 HZ3 LYS 69 28.778 2.996 3.709 559 H ARG 70 HN ARG 70 24.607 0.608 3.844 560 HA ARG 70 HA ARG 70 23.906 0.504 6.646 561 1HB ARG 70 HB2 ARG 70 24.319 2.595 4.613 562 2HB ARG 70 HB1 ARG 70 23.055 2.952 5.783 563 1HG ARG 70 HG1 ARG 70 24.667 2.542 7.604 564 2HG ARG 70 HG2 ARG 70 25.927 2.287 6.395 565 1HD ARG 70 HD2 ARG 70 25.794 4.530 5.648 566 2HD ARG 70 HD1 ARG 70 24.304 4.814 6.548 567 HE ARG 70 HE ARG 70 25.818 4.397 8.580 568 1HH1 ARG 70 HH11 ARG 70 26.833 5.914 5.611 569 2HH1 ARG 70 HH12 ARG 70 28.065 6.867 6.369 570 1HH2 ARG 70 HH21 ARG 70 27.437 5.648 9.585 571 2HH2 ARG 70 HH22 ARG 70 28.409 6.716 8.628 572 H GLU 71 HN GLU 71 22.137 1.549 3.725 573 HA GLU 71 HA GLU 71 19.612 1.019 5.075 574 1HB GLU 71 HB2 GLU 71 20.491 2.825 3.059 575 2HB GLU 71 HB1 GLU 71 19.245 1.806 2.352 576 1HG GLU 71 HG2 GLU 71 18.263 3.803 3.270 577 2HG GLU 71 HG1 GLU 71 17.735 2.393 4.189 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -9.684 -12.333 6.886 2 2H MET 1 HT2 MET 1 -9.382 -13.831 6.108 3 3H MET 1 HT3 MET 1 -10.226 -12.590 5.277 4 HA MET 1 HA MET 1 -7.394 -12.838 5.911 5 1HB MET 1 HB2 MET 1 -7.179 -12.234 3.584 6 2HB MET 1 HB1 MET 1 -8.388 -13.503 3.720 7 1HG MET 1 HG2 MET 1 -9.837 -11.147 3.916 8 2HG MET 1 HG1 MET 1 -8.630 -10.827 2.671 9 1HE MET 1 HE1 MET 1 -10.752 -13.472 4.110 10 2HE MET 1 HE2 MET 1 -11.111 -14.570 2.778 11 3HE MET 1 HE3 MET 1 -12.164 -13.191 3.092 12 H TYR 2 HN TYR 2 -6.417 -10.678 4.637 13 HA TYR 2 HA TYR 2 -7.618 -8.337 5.941 14 1HB TYR 2 HB2 TYR 2 -4.956 -9.503 6.410 15 2HB TYR 2 HB1 TYR 2 -4.948 -7.770 6.106 16 HD1 TYR 2 HD1 TYR 2 -5.163 -6.367 7.921 17 HD2 TYR 2 HD2 TYR 2 -6.824 -10.277 8.151 18 HE1 TYR 2 HE1 TYR 2 -5.804 -5.951 10.256 19 HE2 TYR 2 HE2 TYR 2 -7.470 -9.871 10.488 20 HH TYR 2 HH TYR 2 -7.994 -7.623 11.890 21 H ILE 3 HN ILE 3 -6.959 -6.296 5.028 22 HA ILE 3 HA ILE 3 -5.959 -6.479 2.264 23 HB ILE 3 HB ILE 3 -7.546 -4.655 1.663 24 1HG1 ILE 3 HG11 ILE 3 -9.127 -5.318 4.121 25 2HG1 ILE 3 HG12 ILE 3 -7.850 -4.108 4.212 26 1HG2 ILE 3 HG21 ILE 3 -9.410 -6.712 2.574 27 2HG2 ILE 3 HG22 ILE 3 -7.989 -7.346 1.745 28 3HG2 ILE 3 HG23 ILE 3 -9.026 -6.166 0.942 29 1HD1 ILE 3 HD11 ILE 3 -10.159 -3.231 3.802 30 2HD1 ILE 3 HD12 ILE 3 -10.080 -3.984 2.209 31 3HD1 ILE 3 HD13 ILE 3 -8.933 -2.716 2.644 32 H ILE 4 HN ILE 4 -5.072 -4.433 1.440 33 HA ILE 4 HA ILE 4 -4.199 -2.610 3.582 34 HB ILE 4 HB ILE 4 -2.553 -3.977 1.497 35 1HG1 ILE 4 HG11 ILE 4 -0.968 -3.567 3.654 36 2HG1 ILE 4 HG12 ILE 4 -2.550 -3.550 4.427 37 1HG2 ILE 4 HG21 ILE 4 -1.737 -1.991 0.817 38 2HG2 ILE 4 HG22 ILE 4 -0.812 -2.092 2.318 39 3HG2 ILE 4 HG23 ILE 4 -2.299 -1.145 2.260 40 1HD1 ILE 4 HD11 ILE 4 -2.949 -5.749 3.970 41 2HD1 ILE 4 HD12 ILE 4 -1.196 -5.767 4.167 42 3HD1 ILE 4 HD13 ILE 4 -1.902 -5.759 2.551 43 H PHE 5 HN PHE 5 -3.914 -0.420 2.971 44 HA PHE 5 HA PHE 5 -4.806 0.336 0.291 45 1HB PHE 5 HB1 PHE 5 -6.133 2.194 1.809 46 2HB PHE 5 HB2 PHE 5 -6.868 0.782 1.064 47 HD1 PHE 5 HD1 PHE 5 -7.100 -1.331 2.454 48 HD2 PHE 5 HD2 PHE 5 -6.165 2.472 4.114 49 HE1 PHE 5 HE1 PHE 5 -7.838 -2.117 4.664 50 HE2 PHE 5 HE2 PHE 5 -6.902 1.694 6.323 51 HZ PHE 5 HZ PHE 5 -7.738 -0.599 6.601 52 H ARG 6 HN ARG 6 -4.995 3.083 0.661 53 HA ARG 6 HA ARG 6 -2.464 3.884 1.898 54 1HB ARG 6 HB2 ARG 6 -3.121 3.969 -1.004 55 2HB ARG 6 HB1 ARG 6 -2.225 5.324 -0.332 56 1HG ARG 6 HG1 ARG 6 -0.378 4.037 0.157 57 2HG ARG 6 HG2 ARG 6 -1.305 2.536 0.201 58 1HD ARG 6 HD2 ARG 6 -0.480 4.133 -2.213 59 2HD ARG 6 HD1 ARG 6 0.005 2.493 -1.782 60 HE ARG 6 HE ARG 6 -2.695 2.328 -2.019 61 1HH1 ARG 6 HH12 ARG 6 -0.146 3.479 -4.099 62 2HH1 ARG 6 HH11 ARG 6 -0.980 3.071 -5.560 63 1HH2 ARG 6 HH21 ARG 6 -3.800 1.788 -3.941 64 2HH2 ARG 6 HH22 ARG 6 -3.056 2.110 -5.471 65 H CYS 7 HN CYS 7 -2.575 5.782 2.919 66 HA CYS 7 HA CYS 7 -5.036 7.256 2.912 67 1HB CYS 7 HB2 CYS 7 -3.508 6.833 4.927 68 2HB CYS 7 HB1 CYS 7 -2.475 8.094 4.257 69 HG CYS 7 HG CYS 7 -5.018 8.549 5.811 70 H ASP 8 HN ASP 8 -5.053 9.649 2.611 71 HA ASP 8 HA ASP 8 -4.139 10.327 0.064 72 1HB ASP 8 HB2 ASP 8 -4.761 12.700 0.755 73 2HB ASP 8 HB1 ASP 8 -6.033 11.490 0.892 74 H CYS 9 HN CYS 9 -2.656 10.712 3.183 75 HA CYS 9 HA CYS 9 -0.635 12.566 2.352 76 1HB CYS 9 HB2 CYS 9 -0.854 10.720 4.734 77 2HB CYS 9 HB1 CYS 9 0.471 11.857 4.500 78 HG CYS 9 HG CYS 9 -1.307 13.801 4.693 79 H GLY 10 HN GLY 10 -1.208 9.573 1.318 80 1HA GLY 10 HA1 GLY 10 0.151 8.226 -0.025 81 2HA GLY 10 HA2 GLY 10 1.558 9.113 0.552 82 H ARG 11 HN ARG 11 -0.604 8.119 2.972 83 HA ARG 11 HA ARG 11 1.379 6.334 4.087 84 1HB ARG 11 HB1 ARG 11 -1.384 6.879 5.169 85 2HB ARG 11 HB2 ARG 11 0.020 6.290 6.048 86 1HG ARG 11 HG1 ARG 11 1.073 8.564 5.317 87 2HG ARG 11 HG2 ARG 11 -0.613 9.048 5.114 88 1HD ARG 11 HD2 ARG 11 -1.097 8.761 7.372 89 2HD ARG 11 HD1 ARG 11 0.304 7.723 7.639 90 HE ARG 11 HE ARG 11 0.368 10.648 7.337 91 1HH1 ARG 11 HH21 ARG 11 1.873 7.652 8.285 92 2HH1 ARG 11 HH22 ARG 11 3.213 8.423 9.065 93 1HH2 ARG 11 HH11 ARG 11 2.128 11.672 8.362 94 2HH2 ARG 11 HH12 ARG 11 3.359 10.707 9.109 95 H ALA 12 HN ALA 12 -0.114 4.444 5.386 96 HA ALA 12 HA ALA 12 -1.821 3.037 3.547 97 1HB ALA 12 HB1 ALA 12 0.085 2.246 2.495 98 2HB ALA 12 HB2 ALA 12 -0.267 0.974 3.665 99 3HB ALA 12 HB3 ALA 12 1.001 2.154 4.000 100 H LEU 13 HN LEU 13 -2.965 1.339 4.531 101 HA LEU 13 HA LEU 13 -2.324 0.717 7.315 102 1HB LEU 13 HB1 LEU 13 -4.783 2.102 6.361 103 2HB LEU 13 HB2 LEU 13 -4.931 0.954 7.676 104 HG LEU 13 HG LEU 13 -2.780 2.935 8.015 105 1HD1 LEU 13 HD21 LEU 13 -3.940 4.826 7.874 106 2HD1 LEU 13 HD22 LEU 13 -5.304 4.138 8.756 107 3HD1 LEU 13 HD23 LEU 13 -5.173 3.904 7.013 108 1HD2 LEU 13 HD11 LEU 13 -4.416 3.016 10.198 109 2HD2 LEU 13 HD12 LEU 13 -3.040 1.933 9.997 110 3HD2 LEU 13 HD13 LEU 13 -4.667 1.373 9.608 111 H TYR 14 HN TYR 14 -4.137 -0.920 8.129 112 HA TYR 14 HA TYR 14 -4.767 -2.829 5.982 113 1HB TYR 14 HB2 TYR 14 -3.977 -4.686 7.441 114 2HB TYR 14 HB1 TYR 14 -2.683 -3.614 6.914 115 HD1 TYR 14 HD1 TYR 14 -1.744 -1.942 8.531 116 HD2 TYR 14 HD2 TYR 14 -4.454 -4.991 9.741 117 HE1 TYR 14 HE1 TYR 14 -1.059 -1.615 10.870 118 HE2 TYR 14 HE2 TYR 14 -3.776 -4.671 12.084 119 HH TYR 14 HH TYR 14 -1.068 -2.693 12.961 120 H SER 15 HN SER 15 -6.656 -3.947 6.250 121 HA SER 15 HA SER 15 -8.001 -4.029 8.805 122 1HB SER 15 HB1 SER 15 -8.546 -1.770 7.634 123 2HB SER 15 HB2 SER 15 -9.550 -2.752 6.566 124 HG SER 15 HG SER 15 -10.796 -3.344 8.282 125 H ARG 16 HN ARG 16 -10.488 -4.798 8.121 126 HA ARG 16 HA ARG 16 -10.035 -7.410 7.023 127 1HB ARG 16 HB1 ARG 16 -12.291 -7.892 7.614 128 2HB ARG 16 HB2 ARG 16 -11.612 -6.923 8.914 129 1HG ARG 16 HG1 ARG 16 -13.172 -5.368 8.667 130 2HG ARG 16 HG2 ARG 16 -12.864 -5.248 6.933 131 1HD ARG 16 HD1 ARG 16 -15.071 -5.943 6.999 132 2HD ARG 16 HD2 ARG 16 -14.197 -7.460 6.788 133 HE ARG 16 HE ARG 16 -14.843 -6.671 9.516 134 1HH1 ARG 16 HH12 ARG 16 -15.593 -8.642 6.741 135 2HH1 ARG 16 HH11 ARG 16 -16.548 -9.772 7.641 136 1HH2 ARG 16 HH21 ARG 16 -16.100 -8.156 10.708 137 2HH2 ARG 16 HH22 ARG 16 -16.836 -9.496 9.895 138 H GLU 17 HN GLU 17 -10.965 -8.308 5.170 139 HA GLU 17 HA GLU 17 -10.912 -6.759 2.863 140 1HB GLU 17 HB1 GLU 17 -10.891 -9.382 3.281 141 2HB GLU 17 HB2 GLU 17 -12.601 -9.217 2.907 142 1HG GLU 17 HG2 GLU 17 -10.798 -7.863 1.034 143 2HG GLU 17 HG1 GLU 17 -10.647 -9.618 1.077 144 H GLY 18 HN GLY 18 -12.228 -5.129 2.370 145 1HA GLY 18 HA2 GLY 18 -14.668 -5.061 1.464 146 2HA GLY 18 HA1 GLY 18 -15.051 -5.286 3.164 147 H ALA 19 HN ALA 19 -12.344 -3.544 3.319 148 HA ALA 19 HA ALA 19 -13.747 -1.121 3.921 149 1HB ALA 19 HB1 ALA 19 -10.938 -0.679 3.813 150 2HB ALA 19 HB2 ALA 19 -11.237 -2.244 4.568 151 3HB ALA 19 HB3 ALA 19 -11.988 -0.790 5.225 152 H LYS 20 HN LYS 20 -14.400 0.261 2.441 153 HA LYS 20 HA LYS 20 -13.083 0.404 -0.150 154 1HB LYS 20 HB2 LYS 20 -15.432 2.068 0.735 155 2HB LYS 20 HB1 LYS 20 -14.972 1.612 -0.899 156 1HG LYS 20 HG1 LYS 20 -16.735 0.207 -0.557 157 2HG LYS 20 HG2 LYS 20 -15.407 -0.816 -0.004 158 1HD LYS 20 HD2 LYS 20 -16.486 -1.035 1.930 159 2HD LYS 20 HD1 LYS 20 -16.156 0.672 2.234 160 1HE LYS 20 HE2 LYS 20 -18.533 0.157 2.477 161 2HE LYS 20 HE1 LYS 20 -18.246 1.286 1.155 162 1HZ LYS 20 HZ1 LYS 20 -18.669 -0.340 -0.428 163 2HZ LYS 20 HZ2 LYS 20 -19.840 -0.645 0.754 164 3HZ LYS 20 HZ3 LYS 20 -18.458 -1.617 0.662 165 H THR 21 HN THR 21 -13.877 2.536 2.567 166 HA THR 21 HA THR 21 -11.542 4.158 1.951 167 HB THR 21 HB THR 21 -13.444 6.092 2.554 168 HG1 THR 21 HG1 THR 21 -14.829 5.442 0.546 169 1HG2 THR 21 HG21 THR 21 -12.482 5.302 -0.182 170 2HG2 THR 21 HG22 THR 21 -11.635 6.364 0.943 171 3HG2 THR 21 HG23 THR 21 -13.193 6.852 0.274 172 H ARG 22 HN ARG 22 -10.457 4.221 3.796 173 HA ARG 22 HA ARG 22 -11.837 3.977 6.337 174 1HB ARG 22 HB1 ARG 22 -9.257 3.308 5.353 175 2HB ARG 22 HB2 ARG 22 -9.035 4.469 6.655 176 1HG ARG 22 HG1 ARG 22 -10.973 2.451 7.368 177 2HG ARG 22 HG2 ARG 22 -9.427 1.736 6.902 178 1HD ARG 22 HD2 ARG 22 -8.717 3.890 8.487 179 2HD ARG 22 HD1 ARG 22 -10.144 3.229 9.284 180 HE ARG 22 HE ARG 22 -7.709 1.679 8.685 181 1HH1 ARG 22 HH22 ARG 22 -10.509 2.355 10.646 182 2HH1 ARG 22 HH21 ARG 22 -10.133 1.147 11.828 183 1HH2 ARG 22 HH12 ARG 22 -7.206 0.085 10.234 184 2HH2 ARG 22 HH11 ARG 22 -8.255 -0.144 11.595 185 H LYS 23 HN LYS 23 -10.163 5.471 8.001 186 HA LYS 23 HA LYS 23 -10.196 8.207 7.025 187 1HB LYS 23 HB1 LYS 23 -12.503 7.730 7.904 188 2HB LYS 23 HB2 LYS 23 -11.784 7.454 9.485 189 1HG LYS 23 HG1 LYS 23 -11.152 9.701 9.712 190 2HG LYS 23 HG2 LYS 23 -11.406 10.031 7.997 191 1HD LYS 23 HD2 LYS 23 -13.264 10.982 9.074 192 2HD LYS 23 HD1 LYS 23 -13.854 9.453 8.420 193 1HE LYS 23 HE1 LYS 23 -14.346 8.673 10.447 194 2HE LYS 23 HE2 LYS 23 -12.765 9.129 11.081 195 1HZ LYS 23 HZ1 LYS 23 -14.870 11.155 10.669 196 2HZ LYS 23 HZ2 LYS 23 -13.522 11.219 11.689 197 3HZ LYS 23 HZ3 LYS 23 -14.832 10.221 12.079 198 H CYS 24 HN CYS 24 -8.805 9.541 8.087 199 HA CYS 24 HA CYS 24 -7.054 8.251 10.044 200 1HB CYS 24 HB2 CYS 24 -6.542 9.863 7.808 201 2HB CYS 24 HB1 CYS 24 -6.201 10.888 9.200 202 HG CYS 24 HG CYS 24 -4.341 9.297 9.919 203 H VAL 25 HN VAL 25 -7.116 8.789 12.112 204 HA VAL 25 HA VAL 25 -9.043 10.610 13.112 205 HB VAL 25 HB VAL 25 -6.762 9.692 14.808 206 1HG1 VAL 25 HG11 VAL 25 -9.591 9.377 15.596 207 2HG1 VAL 25 HG12 VAL 25 -9.012 11.031 15.396 208 3HG1 VAL 25 HG13 VAL 25 -8.207 9.947 16.530 209 1HG2 VAL 25 HG21 VAL 25 -7.063 7.533 14.389 210 2HG2 VAL 25 HG22 VAL 25 -8.232 7.942 13.132 211 3HG2 VAL 25 HG23 VAL 25 -8.774 7.680 14.791 212 H CYS 26 HN CYS 26 -5.835 10.986 12.031 213 HA CYS 26 HA CYS 26 -5.071 13.224 13.605 214 1HB CYS 26 HB2 CYS 26 -3.609 11.661 12.130 215 2HB CYS 26 HB1 CYS 26 -4.062 12.740 10.815 216 HG CYS 26 HG CYS 26 -2.277 13.533 13.219 217 H GLY 27 HN GLY 27 -6.923 12.829 10.667 218 1HA GLY 27 HA1 GLY 27 -8.570 14.777 10.488 219 2HA GLY 27 HA2 GLY 27 -7.116 15.760 10.401 220 H ARG 28 HN ARG 28 -8.292 12.762 8.857 221 HA ARG 28 HA ARG 28 -8.436 13.901 6.267 222 1HB ARG 28 HB1 ARG 28 -6.501 12.062 5.602 223 2HB ARG 28 HB2 ARG 28 -6.267 13.803 5.681 224 1HG ARG 28 HG1 ARG 28 -5.887 12.985 8.288 225 2HG ARG 28 HG2 ARG 28 -5.157 11.695 7.330 226 1HD ARG 28 HD2 ARG 28 -3.380 12.972 6.980 227 2HD ARG 28 HD1 ARG 28 -4.399 14.148 6.151 228 HE ARG 28 HE ARG 28 -4.096 14.231 9.075 229 1HH1 ARG 28 HH11 ARG 28 -3.765 15.716 5.939 230 2HH1 ARG 28 HH12 ARG 28 -3.397 17.283 6.577 231 1HH2 ARG 28 HH21 ARG 28 -3.612 16.293 9.923 232 2HH2 ARG 28 HH22 ARG 28 -3.310 17.611 8.841 233 H THR 29 HN THR 29 -7.985 11.684 4.683 234 HA THR 29 HA THR 29 -9.589 9.528 5.849 235 HB THR 29 HB THR 29 -10.222 10.998 3.284 236 HG1 THR 29 HG1 THR 29 -12.347 10.800 4.684 237 1HG2 THR 29 HG21 THR 29 -11.827 8.704 4.323 238 2HG2 THR 29 HG22 THR 29 -10.496 8.455 3.193 239 3HG2 THR 29 HG23 THR 29 -11.865 9.467 2.733 240 H VAL 30 HN VAL 30 -9.102 7.506 5.092 241 HA VAL 30 HA VAL 30 -6.766 7.341 3.335 242 HB VAL 30 HB VAL 30 -7.967 5.126 4.989 243 1HG1 VAL 30 HG21 VAL 30 -6.580 3.939 3.681 244 2HG1 VAL 30 HG22 VAL 30 -5.314 4.605 4.712 245 3HG1 VAL 30 HG23 VAL 30 -5.683 5.367 3.165 246 1HG2 VAL 30 HG11 VAL 30 -6.244 7.385 5.727 247 2HG2 VAL 30 HG12 VAL 30 -5.681 5.804 6.269 248 3HG2 VAL 30 HG13 VAL 30 -7.284 6.376 6.732 249 H ASN 31 HN ASN 31 -7.166 7.046 1.266 250 HA ASN 31 HA ASN 31 -9.593 5.655 0.421 251 1HB ASN 31 HB2 ASN 31 -8.764 7.905 -0.546 252 2HB ASN 31 HB1 ASN 31 -7.590 6.931 -1.427 253 1HD2 ASN 31 HD22 ASN 31 -10.976 7.634 -0.985 254 2HD2 ASN 31 HD21 ASN 31 -11.514 6.944 -2.476 255 H VAL 32 HN VAL 32 -9.510 3.527 0.035 256 HA VAL 32 HA VAL 32 -7.061 2.103 -0.182 257 HB VAL 32 HB VAL 32 -8.287 0.139 -0.372 258 1HG1 VAL 32 HG11 VAL 32 -9.122 2.091 1.481 259 2HG1 VAL 32 HG12 VAL 32 -9.183 0.336 1.643 260 3HG1 VAL 32 HG13 VAL 32 -10.562 1.209 0.974 261 1HG2 VAL 32 HG21 VAL 32 -9.579 0.749 -2.373 262 2HG2 VAL 32 HG22 VAL 32 -10.674 1.690 -1.360 263 3HG2 VAL 32 HG23 VAL 32 -10.565 -0.059 -1.155 264 H LYS 33 HN LYS 33 -7.328 0.326 -2.249 265 HA LYS 33 HA LYS 33 -6.210 1.703 -4.399 266 1HB LYS 33 HB2 LYS 33 -6.914 -1.011 -3.774 267 2HB LYS 33 HB1 LYS 33 -7.382 -0.654 -5.431 268 1HG LYS 33 HG2 LYS 33 -4.641 -0.055 -4.360 269 2HG LYS 33 HG1 LYS 33 -5.069 -1.604 -5.089 270 1HD LYS 33 HD1 LYS 33 -5.894 0.666 -6.711 271 2HD LYS 33 HD2 LYS 33 -4.152 0.626 -6.429 272 1HE LYS 33 HE1 LYS 33 -4.076 -1.684 -7.232 273 2HE LYS 33 HE2 LYS 33 -5.816 -1.643 -7.514 274 1HZ LYS 33 HZ1 LYS 33 -3.674 -0.240 -8.973 275 2HZ LYS 33 HZ2 LYS 33 -5.253 0.367 -8.992 276 3HZ LYS 33 HZ3 LYS 33 -4.936 -1.187 -9.583 277 H ASP 34 HN ASP 34 -7.242 1.218 -6.742 278 HA ASP 34 HA ASP 34 -9.691 2.786 -6.768 279 1HB ASP 34 HB2 ASP 34 -7.633 3.159 -8.291 280 2HB ASP 34 HB1 ASP 34 -8.240 1.783 -9.208 281 H ARG 35 HN ARG 35 -8.512 -0.343 -7.935 282 HA ARG 35 HA ARG 35 -11.183 -1.147 -8.732 283 1HB ARG 35 HB1 ARG 35 -9.850 -3.405 -9.060 284 2HB ARG 35 HB2 ARG 35 -9.708 -2.089 -10.216 285 1HG ARG 35 HG2 ARG 35 -7.729 -1.469 -8.462 286 2HG ARG 35 HG1 ARG 35 -7.712 -3.233 -8.409 287 1HD ARG 35 HD2 ARG 35 -6.274 -1.953 -10.175 288 2HD ARG 35 HD1 ARG 35 -7.125 -3.432 -10.622 289 HE ARG 35 HE ARG 35 -8.708 -2.130 -11.803 290 1HH1 ARG 35 HH11 ARG 35 -6.089 -0.253 -10.477 291 2HH1 ARG 35 HH12 ARG 35 -6.374 1.110 -11.507 292 1HH2 ARG 35 HH22 ARG 35 -9.090 -0.341 -13.163 293 2HH2 ARG 35 HH21 ARG 35 -8.079 1.060 -13.033 294 H ARG 36 HN ARG 36 -9.335 -3.672 -7.359 295 HA ARG 36 HA ARG 36 -11.328 -4.125 -5.344 296 1HB ARG 36 HB2 ARG 36 -8.723 -5.614 -5.555 297 2HB ARG 36 HB1 ARG 36 -10.274 -6.196 -4.963 298 1HG ARG 36 HG2 ARG 36 -10.405 -5.332 -7.730 299 2HG ARG 36 HG1 ARG 36 -9.215 -6.610 -7.474 300 1HD ARG 36 HD1 ARG 36 -11.339 -7.494 -5.998 301 2HD ARG 36 HD2 ARG 36 -12.137 -6.707 -7.359 302 HE ARG 36 HE ARG 36 -10.015 -8.660 -7.882 303 1HH1 ARG 36 HH12 ARG 36 -13.377 -7.751 -8.018 304 2HH1 ARG 36 HH11 ARG 36 -13.808 -9.018 -9.117 305 1HH2 ARG 36 HH21 ARG 36 -10.573 -10.331 -9.330 306 2HH2 ARG 36 HH22 ARG 36 -12.214 -10.484 -9.862 307 H ILE 37 HN ILE 37 -8.006 -4.721 -4.517 308 HA ILE 37 HA ILE 37 -7.801 -2.445 -2.729 309 HB ILE 37 HB ILE 37 -8.729 -5.034 -1.805 310 1HG1 ILE 37 HG12 ILE 37 -9.578 -2.652 -1.338 311 2HG1 ILE 37 HG11 ILE 37 -9.552 -3.788 0.005 312 1HG2 ILE 37 HG21 ILE 37 -6.285 -5.323 -1.365 313 2HG2 ILE 37 HG22 ILE 37 -7.307 -5.390 0.070 314 3HG2 ILE 37 HG23 ILE 37 -6.376 -3.934 -0.281 315 1HD1 ILE 37 HD11 ILE 37 -7.353 -2.781 0.674 316 2HD1 ILE 37 HD12 ILE 37 -8.759 -1.726 0.826 317 3HD1 ILE 37 HD13 ILE 37 -7.652 -1.530 -0.533 318 H PHE 38 HN PHE 38 -5.691 -2.200 -1.839 319 HA PHE 38 HA PHE 38 -3.635 -3.525 -3.428 320 1HB PHE 38 HB1 PHE 38 -3.861 -0.941 -2.824 321 2HB PHE 38 HB2 PHE 38 -2.968 -1.446 -1.393 322 HD1 PHE 38 HD1 PHE 38 -2.727 -0.425 -4.770 323 HD2 PHE 38 HD2 PHE 38 -0.794 -2.778 -1.798 324 HE1 PHE 38 HE1 PHE 38 -0.625 -0.300 -6.043 325 HE2 PHE 38 HE2 PHE 38 1.312 -2.657 -3.065 326 HZ PHE 38 HZ PHE 38 1.398 -1.416 -5.192 327 H GLY 39 HN GLY 39 -1.861 -4.599 -2.495 328 1HA GLY 39 HA1 GLY 39 -0.950 -6.161 -1.080 329 2HA GLY 39 HA2 GLY 39 -1.244 -4.943 0.153 330 H ARG 40 HN ARG 40 -2.404 -7.875 -1.325 331 HA ARG 40 HA ARG 40 -4.635 -8.051 0.550 332 1HB ARG 40 HB1 ARG 40 -4.482 -8.827 -2.030 333 2HB ARG 40 HB2 ARG 40 -3.995 -10.319 -1.242 334 1HG ARG 40 HG2 ARG 40 -6.378 -10.304 -1.680 335 2HG ARG 40 HG1 ARG 40 -6.056 -10.324 0.055 336 1HD ARG 40 HD1 ARG 40 -6.730 -8.127 0.339 337 2HD ARG 40 HD2 ARG 40 -6.479 -7.725 -1.359 338 HE ARG 40 HE ARG 40 -8.782 -9.146 -0.233 339 1HH1 ARG 40 HH12 ARG 40 -7.182 -7.676 -2.958 340 2HH1 ARG 40 HH11 ARG 40 -8.605 -7.651 -3.944 341 1HH2 ARG 40 HH21 ARG 40 -10.661 -9.117 -1.525 342 2HH2 ARG 40 HH22 ARG 40 -10.582 -8.470 -3.131 343 H ALA 41 HN ALA 41 -3.582 -8.321 2.494 344 HA ALA 41 HA ALA 41 -1.635 -10.467 2.757 345 1HB ALA 41 HB1 ALA 41 -1.018 -8.423 3.798 346 2HB ALA 41 HB2 ALA 41 -1.395 -9.576 5.081 347 3HB ALA 41 HB3 ALA 41 -2.560 -8.319 4.651 348 H ASP 42 HN ASP 42 -2.313 -12.449 3.166 349 HA ASP 42 HA ASP 42 -4.874 -12.931 4.437 350 1HB ASP 42 HB2 ASP 42 -3.679 -14.288 2.499 351 2HB ASP 42 HB1 ASP 42 -2.924 -15.123 3.854 352 H ASP 43 HN ASP 43 -1.463 -13.085 5.179 353 HA ASP 43 HA ASP 43 -1.952 -14.305 7.783 354 1HB ASP 43 HB1 ASP 43 0.278 -14.163 5.986 355 2HB ASP 43 HB2 ASP 43 0.753 -13.489 7.541 356 H PHE 44 HN PHE 44 -1.777 -13.260 9.713 357 HA PHE 44 HA PHE 44 -2.268 -10.513 9.862 358 1HB PHE 44 HB2 PHE 44 -1.033 -12.212 12.038 359 2HB PHE 44 HB1 PHE 44 -1.954 -10.727 12.246 360 HD1 PHE 44 HD1 PHE 44 -4.389 -10.829 11.166 361 HD2 PHE 44 HD2 PHE 44 -2.109 -14.189 12.439 362 HE1 PHE 44 HE1 PHE 44 -6.458 -12.140 11.398 363 HE2 PHE 44 HE2 PHE 44 -4.174 -15.506 12.673 364 HZ PHE 44 HZ PHE 44 -6.352 -14.482 12.153 365 H GLU 45 HN GLU 45 0.744 -12.335 10.292 366 HA GLU 45 HA GLU 45 2.361 -10.109 10.937 367 1HB GLU 45 HB1 GLU 45 2.755 -12.751 11.061 368 2HB GLU 45 HB2 GLU 45 3.562 -12.440 9.530 369 1HG GLU 45 HG2 GLU 45 4.931 -10.711 10.683 370 2HG GLU 45 HG1 GLU 45 4.206 -11.227 12.204 371 H GLU 46 HN GLU 46 1.419 -11.587 7.895 372 HA GLU 46 HA GLU 46 3.286 -10.210 6.261 373 1HB GLU 46 HB1 GLU 46 1.030 -12.004 5.888 374 2HB GLU 46 HB2 GLU 46 1.053 -10.733 4.673 375 1HG GLU 46 HG1 GLU 46 2.936 -11.507 3.695 376 2HG GLU 46 HG2 GLU 46 3.618 -12.090 5.212 377 H ALA 47 HN ALA 47 0.172 -9.404 7.587 378 HA ALA 47 HA ALA 47 -0.572 -7.301 5.902 379 1HB ALA 47 HB1 ALA 47 -1.449 -6.576 8.443 380 2HB ALA 47 HB2 ALA 47 -1.384 -8.339 8.470 381 3HB ALA 47 HB3 ALA 47 -2.337 -7.510 7.238 382 H SER 48 HN SER 48 1.184 -7.164 9.001 383 HA SER 48 HA SER 48 1.644 -4.414 9.018 384 1HB SER 48 HB2 SER 48 2.184 -6.478 10.730 385 2HB SER 48 HB1 SER 48 3.803 -6.047 10.178 386 HG SER 48 HG SER 48 2.139 -3.939 10.869 387 H GLU 49 HN GLU 49 3.496 -7.030 7.547 388 HA GLU 49 HA GLU 49 5.745 -5.446 6.846 389 1HB GLU 49 HB2 GLU 49 4.894 -8.177 6.530 390 2HB GLU 49 HB1 GLU 49 5.534 -7.576 5.006 391 1HG GLU 49 HG2 GLU 49 7.642 -7.398 5.799 392 2HG GLU 49 HG1 GLU 49 7.115 -6.986 7.430 393 H LEU 50 HN LEU 50 2.746 -6.275 5.201 394 HA LEU 50 HA LEU 50 3.460 -5.224 2.670 395 1HB LEU 50 HB1 LEU 50 1.095 -6.334 3.951 396 2HB LEU 50 HB2 LEU 50 0.699 -5.019 2.861 397 HG LEU 50 HG LEU 50 2.334 -7.433 2.076 398 1HD1 LEU 50 HD11 LEU 50 0.313 -8.170 0.890 399 2HD1 LEU 50 HD12 LEU 50 -0.588 -6.845 1.627 400 3HD1 LEU 50 HD13 LEU 50 0.082 -8.125 2.638 401 1HD2 LEU 50 HD21 LEU 50 1.096 -5.198 0.479 402 2HD2 LEU 50 HD22 LEU 50 1.828 -6.647 -0.212 403 3HD2 LEU 50 HD23 LEU 50 2.816 -5.513 0.710 404 H VAL 51 HN VAL 51 1.649 -3.887 5.405 405 HA VAL 51 HA VAL 51 1.020 -1.414 4.224 406 HB VAL 51 HB VAL 51 1.394 -2.025 7.153 407 1HG1 VAL 51 HG21 VAL 51 1.217 0.231 7.233 408 2HG1 VAL 51 HG22 VAL 51 -0.503 -0.142 7.102 409 3HG1 VAL 51 HG23 VAL 51 0.408 0.332 5.668 410 1HG2 VAL 51 HG11 VAL 51 -0.209 -3.552 6.288 411 2HG2 VAL 51 HG12 VAL 51 -1.000 -2.287 5.350 412 3HG2 VAL 51 HG13 VAL 51 -1.106 -2.275 7.109 413 H ARG 52 HN ARG 52 3.787 -2.460 6.170 414 HA ARG 52 HA ARG 52 4.950 0.079 6.530 415 1HB ARG 52 HB1 ARG 52 5.549 -2.128 7.692 416 2HB ARG 52 HB2 ARG 52 6.512 -2.489 6.265 417 1HG ARG 52 HG2 ARG 52 7.763 -0.369 6.661 418 2HG ARG 52 HG1 ARG 52 6.881 -0.199 8.182 419 1HD ARG 52 HD1 ARG 52 9.145 -1.230 8.405 420 2HD ARG 52 HD2 ARG 52 7.825 -2.212 9.041 421 HE ARG 52 HE ARG 52 8.454 -2.868 6.335 422 1HH1 ARG 52 HH12 ARG 52 9.421 -3.363 9.646 423 2HH1 ARG 52 HH11 ARG 52 10.172 -4.892 9.332 424 1HH2 ARG 52 HH21 ARG 52 9.439 -4.880 5.913 425 2HH2 ARG 52 HH22 ARG 52 10.182 -5.754 7.211 426 H LYS 53 HN LYS 53 5.396 -2.389 4.028 427 HA LYS 53 HA LYS 53 7.332 -0.922 2.545 428 1HB LYS 53 HB2 LYS 53 6.898 -3.405 2.364 429 2HB LYS 53 HB1 LYS 53 5.424 -3.015 1.488 430 1HG LYS 53 HG2 LYS 53 6.701 -1.959 -0.270 431 2HG LYS 53 HG1 LYS 53 8.198 -2.221 0.628 432 1HD LYS 53 HD1 LYS 53 7.823 -4.656 0.489 433 2HD LYS 53 HD2 LYS 53 6.375 -4.357 -0.475 434 1HE LYS 53 HE2 LYS 53 8.925 -3.131 -1.374 435 2HE LYS 53 HE1 LYS 53 8.724 -4.870 -1.589 436 1HZ LYS 53 HZ1 LYS 53 7.157 -2.671 -2.774 437 2HZ LYS 53 HZ2 LYS 53 6.493 -4.220 -2.637 438 3HZ LYS 53 HZ3 LYS 53 7.901 -3.981 -3.543 439 H LEU 54 HN LEU 54 3.835 -1.111 2.577 440 HA LEU 54 HA LEU 54 3.387 0.420 0.213 441 1HB LEU 54 HB1 LEU 54 1.797 -0.781 2.343 442 2HB LEU 54 HB2 LEU 54 1.165 0.772 1.834 443 HG LEU 54 HG LEU 54 0.105 -1.089 0.641 444 1HD1 LEU 54 HD11 LEU 54 0.371 -0.226 -1.615 445 2HD1 LEU 54 HD12 LEU 54 1.851 0.605 -1.138 446 3HD1 LEU 54 HD13 LEU 54 0.304 1.092 -0.445 447 1HD2 LEU 54 HD21 LEU 54 2.784 -2.029 0.447 448 2HD2 LEU 54 HD22 LEU 54 2.133 -1.827 -1.179 449 3HD2 LEU 54 HD23 LEU 54 1.287 -2.842 -0.010 450 H GLN 55 HN GLN 55 4.191 1.163 3.476 451 HA GLN 55 HA GLN 55 3.163 3.794 3.610 452 1HB GLN 55 HB1 GLN 55 5.037 2.139 5.188 453 2HB GLN 55 HB2 GLN 55 5.235 3.878 5.342 454 1HG GLN 55 HG1 GLN 55 2.810 4.032 5.896 455 2HG GLN 55 HG2 GLN 55 2.760 2.270 5.919 456 1HE2 GLN 55 HE22 GLN 55 1.974 3.317 8.150 457 2HE2 GLN 55 HE21 GLN 55 3.179 3.255 9.387 458 H GLU 56 HN GLU 56 5.157 5.453 4.352 459 HA GLU 56 HA GLU 56 6.319 6.167 1.823 460 1HB GLU 56 HB1 GLU 56 5.755 7.470 4.324 461 2HB GLU 56 HB2 GLU 56 7.428 7.768 3.871 462 1HG GLU 56 HG1 GLU 56 6.221 9.535 2.941 463 2HG GLU 56 HG2 GLU 56 6.535 8.442 1.594 464 H GLU 57 HN GLU 57 7.911 4.793 1.202 465 HA GLU 57 HA GLU 57 9.884 3.789 3.016 466 1HB GLU 57 HB1 GLU 57 9.296 3.532 0.119 467 2HB GLU 57 HB2 GLU 57 10.963 3.261 0.608 468 1HG GLU 57 HG2 GLU 57 8.780 1.883 2.089 469 2HG GLU 57 HG1 GLU 57 9.253 1.288 0.498 470 H LYS 58 HN LYS 58 11.993 4.404 3.280 471 HA LYS 58 HA LYS 58 12.613 7.126 2.649 472 1HB LYS 58 HB1 LYS 58 14.544 5.148 3.830 473 2HB LYS 58 HB2 LYS 58 14.474 6.887 4.074 474 1HG LYS 58 HG2 LYS 58 12.011 5.894 4.962 475 2HG LYS 58 HG1 LYS 58 13.237 4.785 5.579 476 1HD LYS 58 HD1 LYS 58 13.984 6.281 7.059 477 2HD LYS 58 HD2 LYS 58 14.028 7.567 5.850 478 1HE LYS 58 HE1 LYS 58 11.438 6.643 7.044 479 2HE LYS 58 HE2 LYS 58 12.449 7.828 7.868 480 1HZ LYS 58 HZ1 LYS 58 11.132 8.077 5.231 481 2HZ LYS 58 HZ2 LYS 58 12.377 9.115 5.714 482 3HZ LYS 58 HZ3 LYS 58 10.935 9.056 6.596 483 H TYR 59 HN TYR 59 14.874 7.654 1.818 484 HA TYR 59 HA TYR 59 15.206 6.271 -0.721 485 1HB TYR 59 HB2 TYR 59 17.032 8.231 -0.871 486 2HB TYR 59 HB1 TYR 59 15.330 8.488 -1.238 487 HD1 TYR 59 HD1 TYR 59 14.249 10.259 -0.229 488 HD2 TYR 59 HD2 TYR 59 17.673 8.598 1.674 489 HE1 TYR 59 HE1 TYR 59 14.135 12.012 1.492 490 HE2 TYR 59 HE2 TYR 59 17.568 10.347 3.400 491 HH TYR 59 HH TYR 59 16.413 12.067 4.213 492 H GLY 60 HN GLY 60 15.956 4.593 1.239 493 1HA GLY 60 HA1 GLY 60 18.876 4.789 1.483 494 2HA GLY 60 HA2 GLY 60 17.839 3.704 2.395 495 H SER 61 HN SER 61 16.358 2.645 0.233 496 HA SER 61 HA SER 61 18.345 0.804 -0.822 497 1HB SER 61 HB2 SER 61 15.975 0.247 0.197 498 2HB SER 61 HB1 SER 61 15.425 0.581 -1.446 499 HG SER 61 HG SER 61 16.588 -1.101 -2.195 500 H CYS 62 HN CYS 62 17.141 -0.017 -3.169 501 HA CYS 62 HA CYS 62 18.076 1.971 -4.987 502 1HB CYS 62 HB2 CYS 62 16.419 -0.322 -5.936 503 2HB CYS 62 HB1 CYS 62 17.894 0.355 -6.620 504 HG CYS 62 HG CYS 62 17.799 -2.042 -4.905 505 H HIS 63 HN HIS 63 16.906 3.098 -6.575 506 HA HIS 63 HA HIS 63 14.134 3.661 -5.805 507 1HB HIS 63 HB2 HIS 63 14.399 5.724 -7.139 508 2HB HIS 63 HB1 HIS 63 15.621 5.594 -5.879 509 HD2 HIS 63 HD2 HIS 63 15.352 6.088 -9.636 510 HE1 HIS 63 HE1 HIS 63 19.402 5.223 -8.761 511 HE2 HIS 63 HE2 HIS 63 17.785 6.035 -10.538 512 H PHE 64 HN PHE 64 15.838 1.864 -8.027 513 HA PHE 64 HA PHE 64 14.100 2.273 -10.294 514 1HB PHE 64 HB1 PHE 64 16.632 1.021 -9.809 515 2HB PHE 64 HB2 PHE 64 15.559 -0.144 -10.578 516 HD1 PHE 64 HD1 PHE 64 15.197 -0.078 -12.871 517 HD2 PHE 64 HD2 PHE 64 16.880 3.308 -10.919 518 HE1 PHE 64 HE1 PHE 64 15.628 0.962 -15.058 519 HE2 PHE 64 HE2 PHE 64 17.316 4.355 -13.103 520 HZ PHE 64 HZ PHE 64 16.689 3.182 -15.175 521 H THR 65 HN THR 65 12.349 1.120 -10.854 522 HA THR 65 HA THR 65 11.421 -0.913 -8.968 523 HB THR 65 HB THR 65 9.505 -0.347 -11.022 524 HG1 THR 65 HG1 THR 65 10.798 1.611 -11.187 525 1HG2 THR 65 HG21 THR 65 9.501 0.577 -8.165 526 2HG2 THR 65 HG22 THR 65 8.998 -1.025 -8.701 527 3HG2 THR 65 HG23 THR 65 8.112 0.403 -9.237 528 H ASN 66 HN ASN 66 10.645 -2.939 -9.646 529 HA ASN 66 HA ASN 66 12.153 -4.132 -11.752 530 1HB ASN 66 HB2 ASN 66 10.469 -5.021 -9.564 531 2HB ASN 66 HB1 ASN 66 10.132 -5.931 -11.034 532 1HD2 ASN 66 HD22 ASN 66 11.292 -7.685 -11.270 533 2HD2 ASN 66 HD21 ASN 66 12.883 -7.952 -10.650 534 HA PRO 67 HA PRO 67 9.461 -3.632 -15.209 535 1HB PRO 67 HB2 PRO 67 9.799 -6.028 -16.487 536 2HB PRO 67 HB1 PRO 67 10.974 -4.710 -16.542 537 1HG PRO 67 HG1 PRO 67 10.957 -7.166 -14.831 538 2HG PRO 67 HG2 PRO 67 12.313 -6.403 -15.681 539 1HD PRO 67 HD1 PRO 67 11.927 -6.072 -13.038 540 2HD PRO 67 HD2 PRO 67 12.575 -4.772 -14.059 541 H SER 68 HN SER 68 9.217 -6.791 -13.593 542 HA SER 68 HA SER 68 6.491 -7.156 -14.470 543 1HB SER 68 HB1 SER 68 6.602 -9.293 -13.456 544 2HB SER 68 HB2 SER 68 8.216 -9.017 -14.108 545 HG SER 68 HG SER 68 8.671 -9.612 -12.101 546 H LYS 69 HN LYS 69 7.883 -5.325 -12.104 547 HA LYS 69 HA LYS 69 5.854 -5.774 -10.073 548 1HB LYS 69 HB2 LYS 69 8.474 -4.553 -10.176 549 2HB LYS 69 HB1 LYS 69 7.314 -3.475 -9.413 550 1HG LYS 69 HG1 LYS 69 7.646 -6.345 -8.594 551 2HG LYS 69 HG2 LYS 69 8.576 -5.026 -7.880 552 1HD LYS 69 HD2 LYS 69 6.469 -3.926 -7.225 553 2HD LYS 69 HD1 LYS 69 5.570 -5.294 -7.884 554 1HE LYS 69 HE1 LYS 69 7.694 -5.732 -5.824 555 2HE LYS 69 HE2 LYS 69 6.082 -5.206 -5.342 556 1HZ LYS 69 HZ1 LYS 69 5.836 -7.455 -5.254 557 2HZ LYS 69 HZ2 LYS 69 6.933 -7.756 -6.506 558 3HZ LYS 69 HZ3 LYS 69 5.377 -7.197 -6.861 559 H ARG 70 HN ARG 70 3.974 -5.153 -11.188 560 HA ARG 70 HA ARG 70 3.752 -2.481 -12.262 561 1HB ARG 70 HB2 ARG 70 2.554 -4.660 -13.059 562 2HB ARG 70 HB1 ARG 70 1.413 -4.296 -11.772 563 1HG ARG 70 HG2 ARG 70 0.361 -3.179 -13.415 564 2HG ARG 70 HG1 ARG 70 1.499 -1.903 -12.975 565 1HD ARG 70 HD1 ARG 70 2.450 -1.978 -14.982 566 2HD ARG 70 HD2 ARG 70 2.717 -3.715 -14.840 567 HE ARG 70 HE ARG 70 0.810 -4.092 -16.083 568 1HH1 ARG 70 HH11 ARG 70 1.050 -0.717 -15.251 569 2HH1 ARG 70 HH12 ARG 70 -0.206 -0.228 -16.336 570 1HH2 ARG 70 HH21 ARG 70 -0.845 -3.457 -17.516 571 2HH2 ARG 70 HH22 ARG 70 -1.284 -1.785 -17.625 572 H GLU 71 HN GLU 71 4.333 -1.417 -10.227 573 HA GLU 71 HA GLU 71 2.333 -1.494 -8.113 574 1HB GLU 71 HB2 GLU 71 5.083 -1.042 -8.162 575 2HB GLU 71 HB1 GLU 71 4.391 0.540 -7.827 576 1HG GLU 71 HG2 GLU 71 3.690 -0.050 -5.775 577 2HG GLU 71 HG1 GLU 71 3.275 -1.691 -6.269 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -10.245 -12.894 4.853 2 2H MET 1 HT2 MET 1 -10.450 -11.379 5.631 3 3H MET 1 HT3 MET 1 -9.890 -12.734 6.524 4 HA MET 1 HA MET 1 -7.831 -12.488 5.881 5 1HB MET 1 HB1 MET 1 -9.094 -11.898 3.214 6 2HB MET 1 HB2 MET 1 -7.366 -11.687 3.462 7 1HG MET 1 HG1 MET 1 -7.651 -14.168 4.425 8 2HG MET 1 HG2 MET 1 -8.968 -14.151 3.254 9 1HE MET 1 HE1 MET 1 -8.541 -12.679 1.180 10 2HE MET 1 HE2 MET 1 -7.737 -13.720 0.006 11 3HE MET 1 HE3 MET 1 -6.938 -12.256 0.578 12 H TYR 2 HN TYR 2 -6.289 -10.669 5.113 13 HA TYR 2 HA TYR 2 -7.414 -8.121 6.049 14 1HB TYR 2 HB2 TYR 2 -4.702 -9.368 6.286 15 2HB TYR 2 HB1 TYR 2 -4.848 -7.614 6.320 16 HD1 TYR 2 HD1 TYR 2 -5.035 -6.623 8.391 17 HD2 TYR 2 HD2 TYR 2 -6.479 -10.593 7.891 18 HE1 TYR 2 HE1 TYR 2 -5.605 -6.710 10.781 19 HE2 TYR 2 HE2 TYR 2 -7.053 -10.691 10.279 20 HH TYR 2 HH TYR 2 -5.893 -8.627 12.538 21 H ILE 3 HN ILE 3 -6.788 -6.177 5.021 22 HA ILE 3 HA ILE 3 -5.769 -6.482 2.274 23 HB ILE 3 HB ILE 3 -7.348 -4.629 1.634 24 1HG1 ILE 3 HG11 ILE 3 -9.006 -5.364 4.013 25 2HG1 ILE 3 HG12 ILE 3 -7.728 -4.168 4.208 26 1HG2 ILE 3 HG21 ILE 3 -7.698 -7.246 1.468 27 2HG2 ILE 3 HG22 ILE 3 -8.948 -6.104 0.970 28 3HG2 ILE 3 HG23 ILE 3 -9.044 -6.885 2.550 29 1HD1 ILE 3 HD11 ILE 3 -9.960 -3.990 2.202 30 2HD1 ILE 3 HD12 ILE 3 -8.729 -2.769 2.524 31 3HD1 ILE 3 HD13 ILE 3 -9.921 -3.167 3.762 32 H ILE 4 HN ILE 4 -4.910 -4.443 1.360 33 HA ILE 4 HA ILE 4 -4.006 -2.564 3.440 34 HB ILE 4 HB ILE 4 -2.388 -3.953 1.340 35 1HG1 ILE 4 HG12 ILE 4 -0.779 -3.597 3.475 36 2HG1 ILE 4 HG11 ILE 4 -2.346 -3.532 4.276 37 1HG2 ILE 4 HG21 ILE 4 -0.680 -2.021 2.281 38 2HG2 ILE 4 HG22 ILE 4 -2.177 -1.126 2.010 39 3HG2 ILE 4 HG23 ILE 4 -1.445 -2.038 0.689 40 1HD1 ILE 4 HD11 ILE 4 -1.686 -5.766 2.411 41 2HD1 ILE 4 HD12 ILE 4 -2.858 -5.717 3.729 42 3HD1 ILE 4 HD13 ILE 4 -1.132 -5.785 4.084 43 H PHE 5 HN PHE 5 -3.754 -0.389 2.779 44 HA PHE 5 HA PHE 5 -4.689 0.314 0.098 45 1HB PHE 5 HB1 PHE 5 -6.045 2.160 1.588 46 2HB PHE 5 HB2 PHE 5 -6.753 0.703 0.907 47 HD1 PHE 5 HD1 PHE 5 -7.102 -1.290 2.330 48 HD2 PHE 5 HD2 PHE 5 -5.796 2.432 3.922 49 HE1 PHE 5 HE1 PHE 5 -7.747 -2.030 4.586 50 HE2 PHE 5 HE2 PHE 5 -6.440 1.700 6.175 51 HZ PHE 5 HZ PHE 5 -7.412 -0.529 6.511 52 H ARG 6 HN ARG 6 -4.955 3.074 0.492 53 HA ARG 6 HA ARG 6 -2.413 3.930 1.663 54 1HB ARG 6 HB2 ARG 6 -3.142 4.033 -1.228 55 2HB ARG 6 HB1 ARG 6 -2.220 5.371 -0.556 56 1HG ARG 6 HG1 ARG 6 -0.339 4.174 -0.454 57 2HG ARG 6 HG2 ARG 6 -1.168 2.745 0.167 58 1HD ARG 6 HD1 ARG 6 -0.618 1.904 -1.856 59 2HD ARG 6 HD2 ARG 6 -2.092 2.735 -2.348 60 HE ARG 6 HE ARG 6 0.656 3.634 -2.840 61 1HH1 ARG 6 HH22 ARG 6 -2.776 4.018 -3.310 62 2HH1 ARG 6 HH21 ARG 6 -2.601 5.141 -4.617 63 1HH2 ARG 6 HH11 ARG 6 0.894 5.112 -4.557 64 2HH2 ARG 6 HH12 ARG 6 -0.515 5.763 -5.325 65 H CYS 7 HN CYS 7 -2.553 5.822 2.691 66 HA CYS 7 HA CYS 7 -5.050 7.231 2.730 67 1HB CYS 7 HB2 CYS 7 -3.530 6.863 4.732 68 2HB CYS 7 HB1 CYS 7 -2.467 8.083 4.035 69 HG CYS 7 HG CYS 7 -4.895 8.655 5.668 70 H ASP 8 HN ASP 8 -5.176 9.597 2.398 71 HA ASP 8 HA ASP 8 -4.279 10.310 -0.155 72 1HB ASP 8 HB1 ASP 8 -5.649 11.719 2.080 73 2HB ASP 8 HB2 ASP 8 -4.910 12.722 0.834 74 H CYS 9 HN CYS 9 -2.848 10.721 2.971 75 HA CYS 9 HA CYS 9 -0.920 12.698 2.204 76 1HB CYS 9 HB1 CYS 9 -1.665 12.261 4.565 77 2HB CYS 9 HB2 CYS 9 -0.785 10.737 4.503 78 HG CYS 9 HG CYS 9 1.425 12.188 4.217 79 H GLY 10 HN GLY 10 -1.356 9.715 1.088 80 1HA GLY 10 HA1 GLY 10 0.052 8.464 -0.289 81 2HA GLY 10 HA2 GLY 10 1.420 9.400 0.300 82 H ARG 11 HN ARG 11 -0.645 8.260 2.732 83 HA ARG 11 HA ARG 11 1.426 6.511 3.743 84 1HB ARG 11 HB1 ARG 11 -1.310 6.988 4.924 85 2HB ARG 11 HB2 ARG 11 0.120 6.377 5.746 86 1HG ARG 11 HG2 ARG 11 0.174 9.089 4.500 87 2HG ARG 11 HG1 ARG 11 -0.609 8.848 6.065 88 1HD ARG 11 HD1 ARG 11 2.078 7.665 5.741 89 2HD ARG 11 HD2 ARG 11 2.000 9.425 5.785 90 HE ARG 11 HE ARG 11 0.579 8.044 7.901 91 1HH1 ARG 11 HH21 ARG 11 3.516 9.625 6.888 92 2HH1 ARG 11 HH22 ARG 11 4.054 9.942 8.504 93 1HH2 ARG 11 HH11 ARG 11 1.280 8.457 10.029 94 2HH2 ARG 11 HH12 ARG 11 2.783 9.278 10.289 95 H ALA 12 HN ALA 12 0.056 4.549 5.045 96 HA ALA 12 HA ALA 12 -1.690 3.131 3.249 97 1HB ALA 12 HB1 ALA 12 1.093 2.721 2.988 98 2HB ALA 12 HB2 ALA 12 -0.219 1.839 2.206 99 3HB ALA 12 HB3 ALA 12 0.419 1.282 3.753 100 H LEU 13 HN LEU 13 -2.774 1.408 4.272 101 HA LEU 13 HA LEU 13 -1.974 0.745 7.002 102 1HB LEU 13 HB1 LEU 13 -4.461 2.197 6.249 103 2HB LEU 13 HB2 LEU 13 -4.551 1.013 7.537 104 HG LEU 13 HG LEU 13 -2.417 3.096 7.666 105 1HD1 LEU 13 HD21 LEU 13 -5.269 3.644 7.624 106 2HD1 LEU 13 HD22 LEU 13 -3.900 4.756 7.574 107 3HD1 LEU 13 HD23 LEU 13 -4.498 4.162 9.124 108 1HD2 LEU 13 HD11 LEU 13 -3.761 2.640 10.108 109 2HD2 LEU 13 HD12 LEU 13 -2.132 2.149 9.648 110 3HD2 LEU 13 HD13 LEU 13 -3.494 1.069 9.351 111 H TYR 14 HN TYR 14 -3.838 -0.829 7.905 112 HA TYR 14 HA TYR 14 -4.568 -2.736 5.790 113 1HB TYR 14 HB2 TYR 14 -3.789 -4.604 7.214 114 2HB TYR 14 HB1 TYR 14 -2.473 -3.548 6.714 115 HD1 TYR 14 HD1 TYR 14 -1.438 -2.000 8.347 116 HD2 TYR 14 HD2 TYR 14 -4.367 -4.856 9.518 117 HE1 TYR 14 HE1 TYR 14 -0.765 -1.719 10.695 118 HE2 TYR 14 HE2 TYR 14 -3.700 -4.583 11.870 119 HH TYR 14 HH TYR 14 -2.202 -3.683 13.268 120 H SER 15 HN SER 15 -6.452 -3.868 6.144 121 HA SER 15 HA SER 15 -7.766 -3.806 8.720 122 1HB SER 15 HB1 SER 15 -8.345 -1.612 7.545 123 2HB SER 15 HB2 SER 15 -9.236 -2.590 6.378 124 HG SER 15 HG SER 15 -9.724 -2.977 9.106 125 H ARG 16 HN ARG 16 -10.276 -4.585 8.065 126 HA ARG 16 HA ARG 16 -9.848 -7.273 7.160 127 1HB ARG 16 HB2 ARG 16 -11.986 -5.769 8.472 128 2HB ARG 16 HB1 ARG 16 -12.584 -6.936 7.298 129 1HG ARG 16 HG2 ARG 16 -11.409 -8.724 8.423 130 2HG ARG 16 HG1 ARG 16 -10.693 -7.575 9.554 131 1HD ARG 16 HD2 ARG 16 -13.131 -6.951 10.116 132 2HD ARG 16 HD1 ARG 16 -13.540 -8.480 9.335 133 HE ARG 16 HE ARG 16 -12.224 -9.606 11.017 134 1HH1 ARG 16 HH12 ARG 16 -12.933 -6.248 11.624 135 2HH1 ARG 16 HH11 ARG 16 -12.678 -6.370 13.332 136 1HH2 ARG 16 HH21 ARG 16 -11.886 -9.776 13.265 137 2HH2 ARG 16 HH22 ARG 16 -12.083 -8.376 14.266 138 H GLU 17 HN GLU 17 -10.608 -8.261 5.318 139 HA GLU 17 HA GLU 17 -10.560 -6.842 2.937 140 1HB GLU 17 HB1 GLU 17 -10.262 -9.333 3.266 141 2HB GLU 17 HB2 GLU 17 -12.014 -9.455 3.342 142 1HG GLU 17 HG2 GLU 17 -11.476 -7.992 1.029 143 2HG GLU 17 HG1 GLU 17 -10.288 -9.294 1.053 144 H GLY 18 HN GLY 18 -11.918 -5.263 2.377 145 1HA GLY 18 HA2 GLY 18 -14.294 -5.284 1.348 146 2HA GLY 18 HA1 GLY 18 -14.774 -5.560 3.014 147 H ALA 19 HN ALA 19 -12.139 -3.678 3.283 148 HA ALA 19 HA ALA 19 -13.683 -1.345 3.899 149 1HB ALA 19 HB1 ALA 19 -10.730 -1.905 3.952 150 2HB ALA 19 HB2 ALA 19 -11.840 -1.788 5.316 151 3HB ALA 19 HB3 ALA 19 -11.423 -0.345 4.391 152 H LYS 20 HN LYS 20 -14.361 0.064 2.450 153 HA LYS 20 HA LYS 20 -13.025 0.294 -0.126 154 1HB LYS 20 HB2 LYS 20 -15.486 1.767 0.825 155 2HB LYS 20 HB1 LYS 20 -14.945 1.553 -0.834 156 1HG LYS 20 HG2 LYS 20 -16.599 -0.012 -0.737 157 2HG LYS 20 HG1 LYS 20 -15.215 -0.994 -0.252 158 1HD LYS 20 HD2 LYS 20 -16.417 -1.545 1.547 159 2HD LYS 20 HD1 LYS 20 -16.089 0.090 2.127 160 1HE LYS 20 HE1 LYS 20 -18.412 -0.149 2.290 161 2HE LYS 20 HE2 LYS 20 -18.156 0.793 0.822 162 1HZ LYS 20 HZ1 LYS 20 -19.670 -1.429 0.987 163 2HZ LYS 20 HZ2 LYS 20 -18.216 -2.054 0.392 164 3HZ LYS 20 HZ3 LYS 20 -19.009 -0.817 -0.445 165 H THR 21 HN THR 21 -13.937 2.370 2.603 166 HA THR 21 HA THR 21 -11.670 4.102 1.988 167 HB THR 21 HB THR 21 -13.550 5.963 2.703 168 HG1 THR 21 HG1 THR 21 -14.871 4.441 0.756 169 1HG2 THR 21 HG21 THR 21 -13.752 6.385 0.176 170 2HG2 THR 21 HG22 THR 21 -12.559 5.095 0.028 171 3HG2 THR 21 HG23 THR 21 -12.175 6.549 0.950 172 H ARG 22 HN ARG 22 -10.515 4.165 3.785 173 HA ARG 22 HA ARG 22 -11.768 3.749 6.370 174 1HB ARG 22 HB1 ARG 22 -9.171 3.315 5.242 175 2HB ARG 22 HB2 ARG 22 -9.006 4.350 6.654 176 1HG ARG 22 HG1 ARG 22 -10.791 2.123 7.146 177 2HG ARG 22 HG2 ARG 22 -9.184 1.596 6.640 178 1HD ARG 22 HD1 ARG 22 -8.654 1.841 8.805 179 2HD ARG 22 HD2 ARG 22 -8.567 3.559 8.414 180 HE ARG 22 HE ARG 22 -11.212 2.823 9.113 181 1HH1 ARG 22 HH12 ARG 22 -8.073 3.441 10.494 182 2HH1 ARG 22 HH11 ARG 22 -8.704 3.932 12.030 183 1HH2 ARG 22 HH22 ARG 22 -12.050 3.470 11.132 184 2HH2 ARG 22 HH21 ARG 22 -10.964 3.948 12.393 185 H LYS 23 HN LYS 23 -10.245 5.222 8.085 186 HA LYS 23 HA LYS 23 -10.325 8.002 7.248 187 1HB LYS 23 HB1 LYS 23 -12.618 7.620 7.978 188 2HB LYS 23 HB2 LYS 23 -12.047 6.939 9.495 189 1HG LYS 23 HG1 LYS 23 -11.280 9.034 10.262 190 2HG LYS 23 HG2 LYS 23 -11.452 9.762 8.664 191 1HD LYS 23 HD1 LYS 23 -13.852 9.591 8.790 192 2HD LYS 23 HD2 LYS 23 -13.745 8.705 10.312 193 1HE LYS 23 HE1 LYS 23 -13.656 10.595 11.474 194 2HE LYS 23 HE2 LYS 23 -12.305 11.181 10.504 195 1HZ LYS 23 HZ1 LYS 23 -14.621 12.408 10.551 196 2HZ LYS 23 HZ2 LYS 23 -14.971 11.307 9.316 197 3HZ LYS 23 HZ3 LYS 23 -13.664 12.370 9.156 198 H CYS 24 HN CYS 24 -8.956 9.293 8.376 199 HA CYS 24 HA CYS 24 -7.266 7.959 10.363 200 1HB CYS 24 HB2 CYS 24 -6.566 9.405 8.147 201 2HB CYS 24 HB1 CYS 24 -6.462 10.626 9.411 202 HG CYS 24 HG CYS 24 -4.155 9.439 9.185 203 H VAL 25 HN VAL 25 -7.552 8.414 12.430 204 HA VAL 25 HA VAL 25 -9.401 10.367 13.318 205 HB VAL 25 HB VAL 25 -7.353 9.223 15.170 206 1HG1 VAL 25 HG11 VAL 25 -8.778 10.186 16.589 207 2HG1 VAL 25 HG12 VAL 25 -9.905 8.890 16.189 208 3HG1 VAL 25 HG13 VAL 25 -9.986 10.426 15.327 209 1HG2 VAL 25 HG21 VAL 25 -9.385 7.696 13.608 210 2HG2 VAL 25 HG22 VAL 25 -9.050 7.227 15.276 211 3HG2 VAL 25 HG23 VAL 25 -7.751 7.236 14.084 212 H CYS 26 HN CYS 26 -6.050 10.465 12.602 213 HA CYS 26 HA CYS 26 -5.316 12.660 14.256 214 1HB CYS 26 HB2 CYS 26 -3.868 10.918 12.855 215 2HB CYS 26 HB1 CYS 26 -3.947 12.195 11.646 216 HG CYS 26 HG CYS 26 -3.010 13.405 14.196 217 H GLY 27 HN GLY 27 -7.152 12.377 11.394 218 1HA GLY 27 HA1 GLY 27 -8.488 14.404 10.886 219 2HA GLY 27 HA2 GLY 27 -6.978 15.299 10.981 220 H ARG 28 HN ARG 28 -8.312 12.476 9.254 221 HA ARG 28 HA ARG 28 -7.941 13.600 6.689 222 1HB ARG 28 HB2 ARG 28 -5.671 12.177 7.862 223 2HB ARG 28 HB1 ARG 28 -6.174 11.507 6.317 224 1HG ARG 28 HG1 ARG 28 -5.686 13.453 5.166 225 2HG ARG 28 HG2 ARG 28 -5.774 14.449 6.621 226 1HD ARG 28 HD2 ARG 28 -3.610 12.489 5.876 227 2HD ARG 28 HD1 ARG 28 -3.472 14.244 5.968 228 HE ARG 28 HE ARG 28 -4.005 13.876 8.435 229 1HH1 ARG 28 HH22 ARG 28 -2.274 11.589 6.455 230 2HH1 ARG 28 HH21 ARG 28 -1.384 10.920 7.781 231 1HH2 ARG 28 HH12 ARG 28 -2.836 13.001 10.186 232 2HH2 ARG 28 HH11 ARG 28 -1.704 11.722 9.902 233 H THR 29 HN THR 29 -7.686 11.476 5.077 234 HA THR 29 HA THR 29 -9.494 9.377 6.004 235 HB THR 29 HB THR 29 -9.990 11.058 3.537 236 HG1 THR 29 HG1 THR 29 -11.789 11.741 4.609 237 1HG2 THR 29 HG21 THR 29 -12.190 9.401 4.125 238 2HG2 THR 29 HG22 THR 29 -10.758 8.375 4.038 239 3HG2 THR 29 HG23 THR 29 -11.180 9.418 2.680 240 H VAL 30 HN VAL 30 -8.913 7.412 5.256 241 HA VAL 30 HA VAL 30 -6.704 7.315 3.342 242 HB VAL 30 HB VAL 30 -7.756 5.049 5.027 243 1HG1 VAL 30 HG21 VAL 30 -6.370 4.562 2.967 244 2HG1 VAL 30 HG22 VAL 30 -5.749 3.922 4.488 245 3HG1 VAL 30 HG23 VAL 30 -5.036 5.374 3.786 246 1HG2 VAL 30 HG11 VAL 30 -6.934 6.174 6.774 247 2HG2 VAL 30 HG12 VAL 30 -6.133 7.356 5.739 248 3HG2 VAL 30 HG13 VAL 30 -5.343 5.821 6.100 249 H ASN 31 HN ASN 31 -7.169 6.977 1.299 250 HA ASN 31 HA ASN 31 -9.635 5.574 0.575 251 1HB ASN 31 HB1 ASN 31 -8.544 7.878 -0.410 252 2HB ASN 31 HB2 ASN 31 -7.973 6.696 -1.583 253 1HD2 ASN 31 HD21 ASN 31 -9.438 5.640 -2.892 254 2HD2 ASN 31 HD22 ASN 31 -11.081 6.153 -3.052 255 H VAL 32 HN VAL 32 -9.543 3.468 0.087 256 HA VAL 32 HA VAL 32 -7.078 2.095 -0.314 257 HB VAL 32 HB VAL 32 -8.277 0.119 -0.500 258 1HG1 VAL 32 HG11 VAL 32 -8.605 1.246 1.670 259 2HG1 VAL 32 HG12 VAL 32 -9.933 0.163 1.252 260 3HG1 VAL 32 HG13 VAL 32 -10.127 1.906 1.071 261 1HG2 VAL 32 HG21 VAL 32 -9.667 0.760 -2.421 262 2HG2 VAL 32 HG22 VAL 32 -10.732 1.657 -1.337 263 3HG2 VAL 32 HG23 VAL 32 -10.590 -0.096 -1.185 264 H LYS 33 HN LYS 33 -7.303 0.433 -2.420 265 HA LYS 33 HA LYS 33 -6.457 1.959 -4.586 266 1HB LYS 33 HB2 LYS 33 -6.847 -0.804 -3.977 267 2HB LYS 33 HB1 LYS 33 -7.532 -0.487 -5.564 268 1HG LYS 33 HG2 LYS 33 -5.092 -1.223 -5.413 269 2HG LYS 33 HG1 LYS 33 -5.487 0.136 -6.466 270 1HD LYS 33 HD1 LYS 33 -4.958 1.300 -3.996 271 2HD LYS 33 HD2 LYS 33 -3.746 0.027 -4.151 272 1HE LYS 33 HE1 LYS 33 -3.132 2.315 -5.072 273 2HE LYS 33 HE2 LYS 33 -2.885 0.932 -6.137 274 1HZ LYS 33 HZ1 LYS 33 -5.476 2.217 -6.343 275 2HZ LYS 33 HZ2 LYS 33 -4.453 1.637 -7.559 276 3HZ LYS 33 HZ3 LYS 33 -4.165 3.151 -6.863 277 H ASP 34 HN ASP 34 -7.585 1.489 -6.868 278 HA ASP 34 HA ASP 34 -10.159 2.825 -6.684 279 1HB ASP 34 HB2 ASP 34 -8.066 2.502 -8.732 280 2HB ASP 34 HB1 ASP 34 -9.712 2.484 -9.360 281 H ARG 35 HN ARG 35 -8.791 -0.174 -7.962 282 HA ARG 35 HA ARG 35 -11.411 -1.166 -8.709 283 1HB ARG 35 HB2 ARG 35 -8.707 -2.521 -8.766 284 2HB ARG 35 HB1 ARG 35 -10.193 -3.184 -9.434 285 1HG ARG 35 HG1 ARG 35 -9.082 -0.552 -10.348 286 2HG ARG 35 HG2 ARG 35 -8.565 -2.087 -11.050 287 1HD ARG 35 HD1 ARG 35 -10.729 -2.565 -11.852 288 2HD ARG 35 HD2 ARG 35 -11.459 -1.301 -10.863 289 HE ARG 35 HE ARG 35 -10.596 0.323 -12.361 290 1HH1 ARG 35 HH12 ARG 35 -10.044 -2.962 -13.381 291 2HH1 ARG 35 HH11 ARG 35 -9.742 -2.535 -15.033 292 1HH2 ARG 35 HH22 ARG 35 -10.199 0.895 -14.532 293 2HH2 ARG 35 HH21 ARG 35 -9.830 -0.342 -15.687 294 H ARG 36 HN ARG 36 -9.422 -3.615 -7.458 295 HA ARG 36 HA ARG 36 -11.305 -4.182 -5.365 296 1HB ARG 36 HB2 ARG 36 -8.665 -5.570 -5.804 297 2HB ARG 36 HB1 ARG 36 -10.115 -6.214 -5.046 298 1HG ARG 36 HG2 ARG 36 -10.744 -5.400 -7.707 299 2HG ARG 36 HG1 ARG 36 -9.307 -6.426 -7.735 300 1HD ARG 36 HD2 ARG 36 -10.458 -8.172 -6.562 301 2HD ARG 36 HD1 ARG 36 -11.861 -7.136 -6.304 302 HE ARG 36 HE ARG 36 -11.260 -8.657 -8.640 303 1HH1 ARG 36 HH12 ARG 36 -12.782 -5.732 -7.516 304 2HH1 ARG 36 HH11 ARG 36 -13.868 -5.627 -8.861 305 1HH2 ARG 36 HH22 ARG 36 -12.687 -8.526 -10.416 306 2HH2 ARG 36 HH21 ARG 36 -13.814 -7.214 -10.509 307 H ILE 37 HN ILE 37 -7.981 -4.776 -4.627 308 HA ILE 37 HA ILE 37 -7.699 -2.493 -2.865 309 HB ILE 37 HB ILE 37 -8.638 -5.076 -1.896 310 1HG1 ILE 37 HG12 ILE 37 -9.477 -2.653 -1.497 311 2HG1 ILE 37 HG11 ILE 37 -9.527 -3.799 -0.163 312 1HG2 ILE 37 HG21 ILE 37 -7.217 -5.320 0.022 313 2HG2 ILE 37 HG22 ILE 37 -6.274 -3.903 -0.439 314 3HG2 ILE 37 HG23 ILE 37 -6.220 -5.362 -1.431 315 1HD1 ILE 37 HD11 ILE 37 -7.379 -2.841 0.648 316 2HD1 ILE 37 HD12 ILE 37 -8.738 -1.717 0.667 317 3HD1 ILE 37 HD13 ILE 37 -7.522 -1.607 -0.605 318 H PHE 38 HN PHE 38 -5.567 -2.270 -2.039 319 HA PHE 38 HA PHE 38 -3.573 -3.723 -3.600 320 1HB PHE 38 HB1 PHE 38 -3.710 -1.111 -3.162 321 2HB PHE 38 HB2 PHE 38 -2.840 -1.541 -1.694 322 HD1 PHE 38 HD1 PHE 38 -0.563 -2.256 -1.763 323 HD2 PHE 38 HD2 PHE 38 -2.697 -1.473 -5.360 324 HE1 PHE 38 HE1 PHE 38 1.552 -2.287 -3.020 325 HE2 PHE 38 HE2 PHE 38 -0.586 -1.502 -6.623 326 HZ PHE 38 HZ PHE 38 1.542 -1.910 -5.453 327 H GLY 39 HN GLY 39 -1.718 -4.668 -2.584 328 1HA GLY 39 HA1 GLY 39 -0.815 -6.171 -1.099 329 2HA GLY 39 HA2 GLY 39 -1.178 -4.932 0.093 330 H ARG 40 HN ARG 40 -2.275 -7.897 -1.396 331 HA ARG 40 HA ARG 40 -4.545 -8.065 0.428 332 1HB ARG 40 HB1 ARG 40 -4.183 -8.931 -2.173 333 2HB ARG 40 HB2 ARG 40 -4.013 -10.406 -1.234 334 1HG ARG 40 HG2 ARG 40 -6.313 -10.030 -1.993 335 2HG ARG 40 HG1 ARG 40 -6.180 -10.080 -0.235 336 1HD ARG 40 HD1 ARG 40 -6.435 -7.756 -0.039 337 2HD ARG 40 HD2 ARG 40 -6.120 -7.493 -1.754 338 HE ARG 40 HE ARG 40 -8.618 -8.431 -0.564 339 1HH1 ARG 40 HH11 ARG 40 -6.782 -7.600 -3.407 340 2HH1 ARG 40 HH12 ARG 40 -8.175 -7.475 -4.428 341 1HH2 ARG 40 HH22 ARG 40 -10.459 -8.268 -1.903 342 2HH2 ARG 40 HH21 ARG 40 -10.264 -7.853 -3.574 343 H ALA 41 HN ALA 41 -3.540 -8.340 2.391 344 HA ALA 41 HA ALA 41 -1.662 -10.543 2.721 345 1HB ALA 41 HB1 ALA 41 -1.468 -9.631 5.053 346 2HB ALA 41 HB2 ALA 41 -2.547 -8.325 4.552 347 3HB ALA 41 HB3 ALA 41 -0.982 -8.527 3.765 348 H ASP 42 HN ASP 42 -2.294 -12.488 3.353 349 HA ASP 42 HA ASP 42 -4.990 -12.923 4.305 350 1HB ASP 42 HB1 ASP 42 -4.125 -14.552 2.765 351 2HB ASP 42 HB2 ASP 42 -2.682 -14.796 3.744 352 H ASP 43 HN ASP 43 -1.701 -13.074 5.550 353 HA ASP 43 HA ASP 43 -2.616 -13.890 8.191 354 1HB ASP 43 HB2 ASP 43 -0.148 -14.038 6.741 355 2HB ASP 43 HB1 ASP 43 0.127 -13.156 8.240 356 H PHE 44 HN PHE 44 -2.880 -12.545 9.889 357 HA PHE 44 HA PHE 44 -3.154 -9.793 9.547 358 1HB PHE 44 HB2 PHE 44 -3.155 -9.683 12.050 359 2HB PHE 44 HB1 PHE 44 -4.260 -10.881 11.385 360 HD1 PHE 44 HD1 PHE 44 -3.815 -13.259 11.627 361 HD2 PHE 44 HD2 PHE 44 -1.237 -10.334 13.333 362 HE1 PHE 44 HE1 PHE 44 -2.793 -14.991 13.044 363 HE2 PHE 44 HE2 PHE 44 -0.210 -12.061 14.753 364 HZ PHE 44 HZ PHE 44 -0.988 -14.394 14.609 365 H GLU 45 HN GLU 45 -0.402 -11.711 10.586 366 HA GLU 45 HA GLU 45 1.237 -9.543 11.404 367 1HB GLU 45 HB2 GLU 45 1.424 -12.227 11.654 368 2HB GLU 45 HB1 GLU 45 2.535 -11.973 10.317 369 1HG GLU 45 HG2 GLU 45 3.448 -10.078 11.926 370 2HG GLU 45 HG1 GLU 45 2.746 -11.136 13.149 371 H GLU 46 HN GLU 46 0.709 -11.196 8.347 372 HA GLU 46 HA GLU 46 2.859 -10.018 6.937 373 1HB GLU 46 HB1 GLU 46 0.618 -11.749 6.350 374 2HB GLU 46 HB2 GLU 46 0.822 -10.548 5.081 375 1HG GLU 46 HG1 GLU 46 2.412 -11.814 4.217 376 2HG GLU 46 HG2 GLU 46 3.392 -11.486 5.645 377 H ALA 47 HN ALA 47 -0.322 -8.923 7.777 378 HA ALA 47 HA ALA 47 -0.700 -6.922 5.851 379 1HB ALA 47 HB1 ALA 47 -2.498 -7.621 7.305 380 2HB ALA 47 HB2 ALA 47 -2.218 -5.891 7.501 381 3HB ALA 47 HB3 ALA 47 -1.629 -7.022 8.718 382 H SER 48 HN SER 48 0.857 -6.806 9.038 383 HA SER 48 HA SER 48 1.465 -4.077 9.065 384 1HB SER 48 HB2 SER 48 3.126 -6.265 10.332 385 2HB SER 48 HB1 SER 48 3.002 -4.583 10.846 386 HG SER 48 HG SER 48 1.696 -5.932 12.128 387 H GLU 49 HN GLU 49 3.382 -6.836 7.894 388 HA GLU 49 HA GLU 49 5.652 -5.310 7.215 389 1HB GLU 49 HB1 GLU 49 6.530 -7.278 6.383 390 2HB GLU 49 HB2 GLU 49 5.376 -7.866 7.560 391 1HG GLU 49 HG1 GLU 49 4.482 -9.125 5.986 392 2HG GLU 49 HG2 GLU 49 3.976 -7.661 5.144 393 H LEU 50 HN LEU 50 2.750 -6.173 5.447 394 HA LEU 50 HA LEU 50 3.685 -5.371 2.884 395 1HB LEU 50 HB1 LEU 50 1.171 -6.267 4.071 396 2HB LEU 50 HB2 LEU 50 0.943 -5.075 2.805 397 HG LEU 50 HG LEU 50 2.338 -6.527 1.298 398 1HD1 LEU 50 HD21 LEU 50 3.076 -8.603 1.904 399 2HD1 LEU 50 HD22 LEU 50 1.844 -8.800 3.150 400 3HD1 LEU 50 HD23 LEU 50 3.238 -7.761 3.446 401 1HD2 LEU 50 HD11 LEU 50 -0.023 -6.561 1.029 402 2HD2 LEU 50 HD12 LEU 50 -0.232 -7.592 2.446 403 3HD2 LEU 50 HD13 LEU 50 0.531 -8.235 0.992 404 H VAL 51 HN VAL 51 1.820 -3.754 5.415 405 HA VAL 51 HA VAL 51 1.287 -1.380 4.023 406 HB VAL 51 HB VAL 51 1.508 -1.905 6.983 407 1HG1 VAL 51 HG21 VAL 51 -0.079 0.394 6.105 408 2HG1 VAL 51 HG22 VAL 51 1.659 0.574 5.874 409 3HG1 VAL 51 HG23 VAL 51 1.015 0.226 7.477 410 1HG2 VAL 51 HG11 VAL 51 -0.287 -3.147 6.122 411 2HG2 VAL 51 HG12 VAL 51 -0.773 -1.848 5.032 412 3HG2 VAL 51 HG13 VAL 51 -1.022 -1.682 6.770 413 H ARG 52 HN ARG 52 3.939 -2.196 6.271 414 HA ARG 52 HA ARG 52 5.133 0.345 6.264 415 1HB ARG 52 HB2 ARG 52 7.106 -0.726 7.167 416 2HB ARG 52 HB1 ARG 52 5.676 -1.436 7.901 417 1HG ARG 52 HG2 ARG 52 6.595 -3.399 7.416 418 2HG ARG 52 HG1 ARG 52 6.124 -3.073 5.747 419 1HD ARG 52 HD2 ARG 52 8.475 -3.718 5.900 420 2HD ARG 52 HD1 ARG 52 8.296 -2.065 5.313 421 HE ARG 52 HE ARG 52 8.729 -2.349 8.165 422 1HH1 ARG 52 HH22 ARG 52 10.147 -1.811 5.027 423 2HH1 ARG 52 HH21 ARG 52 11.583 -1.079 5.660 424 1HH2 ARG 52 HH11 ARG 52 10.616 -1.387 9.005 425 2HH2 ARG 52 HH12 ARG 52 11.850 -0.839 7.921 426 H LYS 53 HN LYS 53 5.491 -2.421 4.117 427 HA LYS 53 HA LYS 53 7.624 -1.319 2.575 428 1HB LYS 53 HB2 LYS 53 6.615 -3.786 2.719 429 2HB LYS 53 HB1 LYS 53 5.673 -3.212 1.349 430 1HG LYS 53 HG2 LYS 53 7.406 -3.364 -0.039 431 2HG LYS 53 HG1 LYS 53 8.502 -2.588 1.106 432 1HD LYS 53 HD2 LYS 53 7.644 -5.360 1.712 433 2HD LYS 53 HD1 LYS 53 8.768 -5.136 0.369 434 1HE LYS 53 HE1 LYS 53 9.314 -3.776 2.965 435 2HE LYS 53 HE2 LYS 53 9.648 -5.501 2.814 436 1HZ LYS 53 HZ1 LYS 53 11.450 -5.096 1.599 437 2HZ LYS 53 HZ2 LYS 53 11.311 -3.478 2.069 438 3HZ LYS 53 HZ3 LYS 53 10.651 -3.991 0.599 439 H LEU 54 HN LEU 54 4.134 -1.191 2.509 440 HA LEU 54 HA LEU 54 3.846 0.065 -0.025 441 1HB LEU 54 HB1 LEU 54 2.157 -0.764 2.161 442 2HB LEU 54 HB2 LEU 54 1.709 0.847 1.638 443 HG LEU 54 HG LEU 54 0.392 -0.912 0.526 444 1HD1 LEU 54 HD11 LEU 54 0.915 -0.166 -1.849 445 2HD1 LEU 54 HD12 LEU 54 2.200 0.809 -1.138 446 3HD1 LEU 54 HD13 LEU 54 0.520 1.092 -0.678 447 1HD2 LEU 54 HD21 LEU 54 2.888 -2.186 0.291 448 2HD2 LEU 54 HD22 LEU 54 2.345 -1.823 -1.348 449 3HD2 LEU 54 HD23 LEU 54 1.316 -2.762 -0.265 450 H GLN 55 HN GLN 55 4.738 1.166 3.113 451 HA GLN 55 HA GLN 55 3.974 3.876 2.877 452 1HB GLN 55 HB1 GLN 55 5.803 2.327 4.643 453 2HB GLN 55 HB2 GLN 55 5.981 4.075 4.607 454 1HG GLN 55 HG1 GLN 55 3.486 4.182 5.076 455 2HG GLN 55 HG2 GLN 55 3.594 2.461 5.440 456 1HE2 GLN 55 HE22 GLN 55 2.852 4.589 7.218 457 2HE2 GLN 55 HE21 GLN 55 3.998 4.587 8.512 458 H GLU 56 HN GLU 56 6.032 5.479 3.327 459 HA GLU 56 HA GLU 56 7.303 5.647 0.752 460 1HB GLU 56 HB2 GLU 56 6.562 7.475 2.717 461 2HB GLU 56 HB1 GLU 56 8.320 7.490 2.759 462 1HG GLU 56 HG1 GLU 56 7.464 7.549 0.043 463 2HG GLU 56 HG2 GLU 56 6.603 8.794 0.948 464 H GLU 57 HN GLU 57 8.837 4.116 0.460 465 HA GLU 57 HA GLU 57 10.683 3.349 2.501 466 1HB GLU 57 HB1 GLU 57 10.475 2.768 -0.447 467 2HB GLU 57 HB2 GLU 57 11.841 2.205 0.507 468 1HG GLU 57 HG2 GLU 57 10.473 0.830 1.843 469 2HG GLU 57 HG1 GLU 57 8.998 1.592 1.246 470 H LYS 58 HN LYS 58 12.603 4.186 2.997 471 HA LYS 58 HA LYS 58 13.483 6.582 1.696 472 1HB LYS 58 HB2 LYS 58 15.253 6.588 3.416 473 2HB LYS 58 HB1 LYS 58 13.652 6.388 4.114 474 1HG LYS 58 HG1 LYS 58 14.092 4.314 4.873 475 2HG LYS 58 HG2 LYS 58 15.099 3.901 3.485 476 1HD LYS 58 HD1 LYS 58 16.899 5.313 4.406 477 2HD LYS 58 HD2 LYS 58 15.894 5.640 5.818 478 1HE LYS 58 HE2 LYS 58 16.997 2.979 4.934 479 2HE LYS 58 HE1 LYS 58 17.448 3.898 6.369 480 1HZ LYS 58 HZ1 LYS 58 15.992 2.402 7.255 481 2HZ LYS 58 HZ2 LYS 58 15.037 2.310 5.863 482 3HZ LYS 58 HZ3 LYS 58 14.914 3.652 6.886 483 H TYR 59 HN TYR 59 16.288 6.299 2.007 484 HA TYR 59 HA TYR 59 16.870 4.816 -0.424 485 1HB TYR 59 HB1 TYR 59 18.171 6.981 1.120 486 2HB TYR 59 HB2 TYR 59 19.259 5.866 0.301 487 HD1 TYR 59 HD1 TYR 59 16.490 8.258 -0.223 488 HD2 TYR 59 HD2 TYR 59 19.565 5.955 -2.048 489 HE1 TYR 59 HE1 TYR 59 16.147 9.481 -2.328 490 HE2 TYR 59 HE2 TYR 59 19.231 7.172 -4.160 491 HH TYR 59 HH TYR 59 17.479 8.462 -5.285 492 H GLY 60 HN GLY 60 18.551 5.115 2.715 493 1HA GLY 60 HA2 GLY 60 18.537 2.496 3.510 494 2HA GLY 60 HA1 GLY 60 19.863 2.589 2.362 495 H SER 61 HN SER 61 19.043 2.831 5.561 496 HA SER 61 HA SER 61 21.081 4.776 6.280 497 1HB SER 61 HB1 SER 61 20.294 4.510 8.549 498 2HB SER 61 HB2 SER 61 18.887 4.640 7.494 499 HG SER 61 HG SER 61 18.544 2.469 7.685 500 H CYS 62 HN CYS 62 21.979 3.625 8.682 501 HA CYS 62 HA CYS 62 23.698 2.362 9.470 502 1HB CYS 62 HB2 CYS 62 21.762 0.618 8.601 503 2HB CYS 62 HB1 CYS 62 23.189 0.032 7.755 504 HG CYS 62 HG CYS 62 23.287 0.336 10.840 505 H HIS 63 HN HIS 63 25.052 0.207 7.965 506 HA HIS 63 HA HIS 63 27.055 1.792 6.724 507 1HB HIS 63 HB2 HIS 63 26.840 -1.163 6.267 508 2HB HIS 63 HB1 HIS 63 28.279 -0.177 6.502 509 HD2 HIS 63 HD2 HIS 63 27.174 -2.904 8.314 510 HE1 HIS 63 HE1 HIS 63 27.434 0.004 11.378 511 HE2 HIS 63 HE2 HIS 63 27.284 -2.477 10.870 512 H PHE 64 HN PHE 64 27.679 0.004 4.520 513 HA PHE 64 HA PHE 64 26.012 1.249 2.516 514 1HB PHE 64 HB1 PHE 64 28.363 -0.642 2.273 515 2HB PHE 64 HB2 PHE 64 27.559 0.133 0.912 516 HD1 PHE 64 HD1 PHE 64 29.798 0.611 3.753 517 HD2 PHE 64 HD2 PHE 64 27.829 2.501 0.488 518 HE1 PHE 64 HE1 PHE 64 31.277 2.563 3.995 519 HE2 PHE 64 HE2 PHE 64 29.304 4.456 0.724 520 HZ PHE 64 HZ PHE 64 31.031 4.489 2.480 521 H THR 65 HN THR 65 24.553 -0.514 4.123 522 HA THR 65 HA THR 65 24.159 -2.909 2.491 523 HB THR 65 HB THR 65 22.409 -2.571 4.815 524 HG1 THR 65 HG1 THR 65 24.064 -1.578 5.820 525 1HG2 THR 65 HG21 THR 65 23.944 -4.677 3.527 526 2HG2 THR 65 HG22 THR 65 22.438 -4.759 4.442 527 3HG2 THR 65 HG23 THR 65 23.985 -4.746 5.289 528 H ASN 66 HN ASN 66 23.335 -1.409 0.766 529 HA ASN 66 HA ASN 66 20.866 -0.058 1.078 530 1HB ASN 66 HB2 ASN 66 22.356 -1.048 -1.354 531 2HB ASN 66 HB1 ASN 66 20.836 -0.166 -1.467 532 1HD2 ASN 66 HD21 ASN 66 24.162 0.018 -0.365 533 2HD2 ASN 66 HD22 ASN 66 24.283 1.741 -0.426 534 HA PRO 67 HA PRO 67 17.790 -3.209 0.951 535 1HB PRO 67 HB1 PRO 67 16.051 -2.146 -0.931 536 2HB PRO 67 HB2 PRO 67 16.067 -1.735 0.787 537 1HG PRO 67 HG2 PRO 67 17.272 -0.277 -1.526 538 2HG PRO 67 HG1 PRO 67 16.452 0.371 -0.093 539 1HD PRO 67 HD1 PRO 67 19.121 0.422 -0.314 540 2HD PRO 67 HD2 PRO 67 18.330 0.118 1.249 541 H SER 68 HN SER 68 18.767 -1.941 -2.219 542 HA SER 68 HA SER 68 18.103 -4.419 -3.551 543 1HB SER 68 HB2 SER 68 19.436 -3.098 -5.451 544 2HB SER 68 HB1 SER 68 17.765 -2.703 -5.044 545 HG SER 68 HG SER 68 19.573 -0.987 -5.103 546 H LYS 69 HN LYS 69 20.872 -2.932 -2.108 547 HA LYS 69 HA LYS 69 22.747 -4.741 -3.391 548 1HB LYS 69 HB1 LYS 69 22.926 -2.319 -1.702 549 2HB LYS 69 HB2 LYS 69 24.215 -3.495 -1.486 550 1HG LYS 69 HG2 LYS 69 24.935 -3.291 -3.699 551 2HG LYS 69 HG1 LYS 69 23.434 -2.512 -4.207 552 1HD LYS 69 HD1 LYS 69 24.699 -0.643 -4.056 553 2HD LYS 69 HD2 LYS 69 24.242 -0.750 -2.355 554 1HE LYS 69 HE1 LYS 69 26.356 -2.173 -2.078 555 2HE LYS 69 HE2 LYS 69 26.822 -1.551 -3.661 556 1HZ LYS 69 HZ1 LYS 69 26.695 -0.188 -1.096 557 2HZ LYS 69 HZ2 LYS 69 26.181 0.708 -2.435 558 3HZ LYS 69 HZ3 LYS 69 27.741 0.056 -2.402 559 H ARG 70 HN ARG 70 22.155 -6.772 -2.649 560 HA ARG 70 HA ARG 70 21.937 -7.292 0.185 561 1HB ARG 70 HB2 ARG 70 21.047 -8.560 -2.160 562 2HB ARG 70 HB1 ARG 70 22.191 -9.674 -1.427 563 1HG ARG 70 HG1 ARG 70 20.894 -10.011 0.426 564 2HG ARG 70 HG2 ARG 70 20.113 -8.433 0.299 565 1HD ARG 70 HD1 ARG 70 19.133 -9.431 -1.912 566 2HD ARG 70 HD2 ARG 70 19.512 -10.974 -1.148 567 HE ARG 70 HE ARG 70 17.435 -9.118 -0.393 568 1HH1 ARG 70 HH11 ARG 70 19.419 -11.806 0.599 569 2HH1 ARG 70 HH12 ARG 70 18.321 -12.327 1.833 570 1HH2 ARG 70 HH21 ARG 70 15.985 -9.797 1.230 571 2HH2 ARG 70 HH22 ARG 70 16.370 -11.185 2.192 572 H GLU 71 HN GLU 71 23.369 -8.445 1.450 573 HA GLU 71 HA GLU 71 26.123 -8.421 0.513 574 1HB GLU 71 HB1 GLU 71 25.484 -7.474 2.737 575 2HB GLU 71 HB2 GLU 71 25.054 -9.098 3.259 576 1HG GLU 71 HG1 GLU 71 27.312 -9.834 3.075 577 2HG GLU 71 HG2 GLU 71 27.796 -8.329 2.295 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -8.155 -13.196 7.347 2 2H MET 1 HT2 MET 1 -8.828 -14.006 5.993 3 3H MET 1 HT3 MET 1 -9.476 -12.501 6.502 4 HA MET 1 HA MET 1 -6.689 -12.808 5.649 5 1HB MET 1 HB2 MET 1 -7.450 -12.041 3.425 6 2HB MET 1 HB1 MET 1 -8.101 -13.619 3.842 7 1HG MET 1 HG2 MET 1 -9.701 -11.168 4.409 8 2HG MET 1 HG1 MET 1 -9.626 -11.810 2.768 9 1HE MET 1 HE1 MET 1 -9.755 -14.234 2.327 10 2HE MET 1 HE2 MET 1 -11.502 -14.112 2.119 11 3HE MET 1 HE3 MET 1 -10.821 -15.382 3.137 12 H TYR 2 HN TYR 2 -6.048 -10.649 4.623 13 HA TYR 2 HA TYR 2 -7.370 -8.392 5.954 14 1HB TYR 2 HB2 TYR 2 -4.455 -9.132 6.106 15 2HB TYR 2 HB1 TYR 2 -4.996 -7.476 6.356 16 HD1 TYR 2 HD1 TYR 2 -4.306 -10.544 7.930 17 HD2 TYR 2 HD2 TYR 2 -6.907 -7.184 8.143 18 HE1 TYR 2 HE1 TYR 2 -4.770 -11.060 10.287 19 HE2 TYR 2 HE2 TYR 2 -7.379 -7.691 10.501 20 HH TYR 2 HH TYR 2 -6.908 -10.483 11.911 21 H ILE 3 HN ILE 3 -6.843 -6.314 5.038 22 HA ILE 3 HA ILE 3 -5.881 -6.428 2.255 23 HB ILE 3 HB ILE 3 -7.576 -4.658 1.726 24 1HG1 ILE 3 HG11 ILE 3 -9.188 -5.509 4.079 25 2HG1 ILE 3 HG12 ILE 3 -7.891 -4.352 4.365 26 1HG2 ILE 3 HG21 ILE 3 -9.221 -6.939 2.598 27 2HG2 ILE 3 HG22 ILE 3 -7.817 -7.334 1.604 28 3HG2 ILE 3 HG23 ILE 3 -9.037 -6.210 1.002 29 1HD1 ILE 3 HD11 ILE 3 -10.168 -3.386 3.935 30 2HD1 ILE 3 HD12 ILE 3 -10.001 -3.946 2.271 31 3HD1 ILE 3 HD13 ILE 3 -8.864 -2.765 2.922 32 H ILE 4 HN ILE 4 -4.882 -4.489 1.486 33 HA ILE 4 HA ILE 4 -4.116 -2.615 3.630 34 HB ILE 4 HB ILE 4 -2.479 -3.869 1.462 35 1HG1 ILE 4 HG11 ILE 4 -0.846 -3.576 3.567 36 2HG1 ILE 4 HG12 ILE 4 -2.387 -3.516 4.415 37 1HG2 ILE 4 HG21 ILE 4 -1.648 -1.875 0.867 38 2HG2 ILE 4 HG22 ILE 4 -0.788 -1.958 2.407 39 3HG2 ILE 4 HG23 ILE 4 -2.304 -1.064 2.289 40 1HD1 ILE 4 HD11 ILE 4 -1.440 -5.764 4.363 41 2HD1 ILE 4 HD12 ILE 4 -1.490 -5.738 2.601 42 3HD1 ILE 4 HD13 ILE 4 -2.990 -5.682 3.526 43 H PHE 5 HN PHE 5 -3.893 -0.400 3.063 44 HA PHE 5 HA PHE 5 -4.908 0.394 0.434 45 1HB PHE 5 HB1 PHE 5 -6.202 2.192 2.040 46 2HB PHE 5 HB2 PHE 5 -6.941 0.764 1.332 47 HD1 PHE 5 HD1 PHE 5 -7.194 -1.301 2.695 48 HD2 PHE 5 HD2 PHE 5 -5.920 2.399 4.368 49 HE1 PHE 5 HE1 PHE 5 -7.759 -2.124 4.944 50 HE2 PHE 5 HE2 PHE 5 -6.485 1.582 6.615 51 HZ PHE 5 HZ PHE 5 -7.402 -0.679 6.906 52 H ARG 6 HN ARG 6 -5.079 3.105 0.771 53 HA ARG 6 HA ARG 6 -2.566 3.952 2.010 54 1HB ARG 6 HB2 ARG 6 -3.154 3.881 -0.889 55 2HB ARG 6 HB1 ARG 6 -2.401 5.355 -0.296 56 1HG ARG 6 HG2 ARG 6 -0.938 3.305 0.878 57 2HG ARG 6 HG1 ARG 6 -1.247 2.753 -0.769 58 1HD ARG 6 HD2 ARG 6 0.797 4.385 -0.060 59 2HD ARG 6 HD1 ARG 6 0.100 4.302 -1.676 60 HE ARG 6 HE ARG 6 -0.677 6.313 0.339 61 1HH1 ARG 6 HH22 ARG 6 -0.037 5.350 -2.949 62 2HH1 ARG 6 HH21 ARG 6 -0.369 6.917 -3.608 63 1HH2 ARG 6 HH11 ARG 6 -1.116 8.378 -0.522 64 2HH2 ARG 6 HH12 ARG 6 -0.984 8.638 -2.229 65 H CYS 7 HN CYS 7 -2.888 5.710 3.180 66 HA CYS 7 HA CYS 7 -5.282 7.271 2.888 67 1HB CYS 7 HB2 CYS 7 -4.255 6.714 5.111 68 2HB CYS 7 HB1 CYS 7 -2.933 7.803 4.707 69 HG CYS 7 HG CYS 7 -5.388 8.682 6.003 70 H ASP 8 HN ASP 8 -5.281 9.596 2.619 71 HA ASP 8 HA ASP 8 -3.906 10.423 0.361 72 1HB ASP 8 HB1 ASP 8 -6.028 11.418 1.134 73 2HB ASP 8 HB2 ASP 8 -5.177 12.175 2.477 74 H CYS 9 HN CYS 9 -2.904 10.485 3.653 75 HA CYS 9 HA CYS 9 -0.898 12.514 3.374 76 1HB CYS 9 HB1 CYS 9 -1.917 11.775 5.558 77 2HB CYS 9 HB2 CYS 9 -0.995 10.282 5.409 78 HG CYS 9 HG CYS 9 0.120 13.001 6.243 79 H GLY 10 HN GLY 10 -1.206 9.724 1.831 80 1HA GLY 10 HA1 GLY 10 0.315 8.602 0.483 81 2HA GLY 10 HA2 GLY 10 1.618 9.488 1.264 82 H ARG 11 HN ARG 11 -0.462 8.187 3.537 83 HA ARG 11 HA ARG 11 1.543 6.209 4.276 84 1HB ARG 11 HB2 ARG 11 0.772 6.346 6.407 85 2HB ARG 11 HB1 ARG 11 0.182 7.896 5.828 86 1HG ARG 11 HG1 ARG 11 -1.988 6.648 5.287 87 2HG ARG 11 HG2 ARG 11 -1.349 5.373 6.324 88 1HD ARG 11 HD1 ARG 11 -1.935 8.231 7.072 89 2HD ARG 11 HD2 ARG 11 -2.742 6.779 7.661 90 HE ARG 11 HE ARG 11 -0.112 6.459 8.355 91 1HH1 ARG 11 HH22 ARG 11 -2.571 8.854 8.960 92 2HH1 ARG 11 HH21 ARG 11 -1.929 9.309 10.502 93 1HH2 ARG 11 HH11 ARG 11 0.739 7.051 10.384 94 2HH2 ARG 11 HH12 ARG 11 -0.047 8.284 11.312 95 H ALA 12 HN ALA 12 0.197 4.236 5.499 96 HA ALA 12 HA ALA 12 -1.867 3.169 3.774 97 1HB ALA 12 HB1 ALA 12 0.855 1.878 3.921 98 2HB ALA 12 HB2 ALA 12 0.068 2.545 2.491 99 3HB ALA 12 HB3 ALA 12 -0.586 1.102 3.265 100 H LEU 13 HN LEU 13 -2.951 1.355 4.693 101 HA LEU 13 HA LEU 13 -2.034 0.486 7.337 102 1HB LEU 13 HB1 LEU 13 -4.463 2.073 6.781 103 2HB LEU 13 HB2 LEU 13 -4.671 0.711 7.861 104 HG LEU 13 HG LEU 13 -2.405 2.547 8.427 105 1HD1 LEU 13 HD21 LEU 13 -4.647 3.569 9.800 106 2HD1 LEU 13 HD22 LEU 13 -5.064 3.517 8.088 107 3HD1 LEU 13 HD23 LEU 13 -3.625 4.387 8.617 108 1HD2 LEU 13 HD11 LEU 13 -4.162 0.658 9.847 109 2HD2 LEU 13 HD12 LEU 13 -3.676 2.090 10.751 110 3HD2 LEU 13 HD13 LEU 13 -2.451 1.016 10.079 111 H TYR 14 HN TYR 14 -3.857 -1.161 8.192 112 HA TYR 14 HA TYR 14 -4.652 -2.912 5.969 113 1HB TYR 14 HB2 TYR 14 -3.701 -4.840 6.952 114 2HB TYR 14 HB1 TYR 14 -2.444 -3.611 7.026 115 HD1 TYR 14 HD1 TYR 14 -4.538 -5.853 8.920 116 HD2 TYR 14 HD2 TYR 14 -1.987 -2.460 9.211 117 HE1 TYR 14 HE1 TYR 14 -4.324 -6.229 11.340 118 HE2 TYR 14 HE2 TYR 14 -1.766 -2.827 11.632 119 HH TYR 14 HH TYR 14 -3.164 -3.962 13.458 120 H SER 15 HN SER 15 -6.528 -4.057 6.278 121 HA SER 15 HA SER 15 -7.799 -4.185 8.871 122 1HB SER 15 HB1 SER 15 -8.367 -1.899 7.766 123 2HB SER 15 HB2 SER 15 -9.390 -2.851 6.691 124 HG SER 15 HG SER 15 -9.696 -3.451 9.352 125 H ARG 16 HN ARG 16 -10.278 -4.992 8.292 126 HA ARG 16 HA ARG 16 -9.836 -7.537 7.026 127 1HB ARG 16 HB2 ARG 16 -11.884 -6.325 8.719 128 2HB ARG 16 HB1 ARG 16 -12.560 -7.338 7.449 129 1HG ARG 16 HG2 ARG 16 -11.139 -9.196 8.189 130 2HG ARG 16 HG1 ARG 16 -10.500 -8.177 9.481 131 1HD ARG 16 HD1 ARG 16 -12.737 -7.964 10.431 132 2HD ARG 16 HD2 ARG 16 -13.391 -8.961 9.131 133 HE ARG 16 HE ARG 16 -11.292 -10.179 10.716 134 1HH1 ARG 16 HH22 ARG 16 -14.718 -9.764 10.218 135 2HH1 ARG 16 HH21 ARG 16 -15.148 -11.200 11.087 136 1HH2 ARG 16 HH12 ARG 16 -11.851 -12.069 11.862 137 2HH2 ARG 16 HH11 ARG 16 -13.518 -12.509 12.021 138 H GLU 17 HN GLU 17 -10.882 -8.343 5.182 139 HA GLU 17 HA GLU 17 -10.981 -6.677 2.972 140 1HB GLU 17 HB1 GLU 17 -10.729 -9.039 2.673 141 2HB GLU 17 HB2 GLU 17 -12.266 -9.364 3.459 142 1HG GLU 17 HG2 GLU 17 -13.183 -9.423 1.449 143 2HG GLU 17 HG1 GLU 17 -12.907 -7.685 1.343 144 H GLY 18 HN GLY 18 -12.311 -5.042 2.566 145 1HA GLY 18 HA1 GLY 18 -14.844 -4.954 1.893 146 2HA GLY 18 HA2 GLY 18 -15.040 -5.108 3.632 147 H ALA 19 HN ALA 19 -12.347 -3.464 3.630 148 HA ALA 19 HA ALA 19 -13.638 -0.956 4.117 149 1HB ALA 19 HB1 ALA 19 -10.891 -2.024 4.402 150 2HB ALA 19 HB2 ALA 19 -11.894 -1.147 5.556 151 3HB ALA 19 HB3 ALA 19 -11.074 -0.276 4.260 152 H LYS 20 HN LYS 20 -14.364 0.175 2.427 153 HA LYS 20 HA LYS 20 -12.841 0.257 -0.056 154 1HB LYS 20 HB2 LYS 20 -15.572 1.236 0.751 155 2HB LYS 20 HB1 LYS 20 -14.831 1.736 -0.764 156 1HG LYS 20 HG1 LYS 20 -15.673 -0.089 -1.690 157 2HG LYS 20 HG2 LYS 20 -14.562 -1.040 -0.702 158 1HD LYS 20 HD1 LYS 20 -16.424 -0.710 1.125 159 2HD LYS 20 HD2 LYS 20 -17.453 -0.452 -0.285 160 1HE LYS 20 HE1 LYS 20 -16.436 -2.636 -1.173 161 2HE LYS 20 HE2 LYS 20 -15.896 -2.897 0.485 162 1HZ LYS 20 HZ1 LYS 20 -18.552 -3.081 -0.640 163 2HZ LYS 20 HZ2 LYS 20 -18.476 -2.270 0.843 164 3HZ LYS 20 HZ3 LYS 20 -17.892 -3.852 0.713 165 H THR 21 HN THR 21 -13.968 2.420 2.500 166 HA THR 21 HA THR 21 -11.789 4.244 1.883 167 HB THR 21 HB THR 21 -13.669 6.118 2.277 168 HG1 THR 21 HG1 THR 21 -15.514 5.488 1.045 169 1HG2 THR 21 HG21 THR 21 -13.875 5.425 -0.485 170 2HG2 THR 21 HG22 THR 21 -12.211 5.220 0.064 171 3HG2 THR 21 HG23 THR 21 -13.024 6.771 0.273 172 H ARG 22 HN ARG 22 -10.758 4.299 3.766 173 HA ARG 22 HA ARG 22 -12.220 4.127 6.269 174 1HB ARG 22 HB1 ARG 22 -9.740 3.230 5.449 175 2HB ARG 22 HB2 ARG 22 -9.341 4.624 6.440 176 1HG ARG 22 HG2 ARG 22 -11.172 3.367 8.004 177 2HG ARG 22 HG1 ARG 22 -10.386 2.001 7.208 178 1HD ARG 22 HD1 ARG 22 -8.226 2.735 7.961 179 2HD ARG 22 HD2 ARG 22 -8.912 4.220 8.616 180 HE ARG 22 HE ARG 22 -10.249 2.456 10.037 181 1HH1 ARG 22 HH21 ARG 22 -6.875 2.445 9.160 182 2HH1 ARG 22 HH22 ARG 22 -6.376 1.588 10.581 183 1HH2 ARG 22 HH11 ARG 22 -9.600 1.330 11.912 184 2HH2 ARG 22 HH12 ARG 22 -7.925 0.955 12.144 185 H LYS 23 HN LYS 23 -10.341 5.667 7.824 186 HA LYS 23 HA LYS 23 -10.546 8.387 6.823 187 1HB LYS 23 HB1 LYS 23 -12.732 7.970 7.897 188 2HB LYS 23 HB2 LYS 23 -11.908 7.551 9.392 189 1HG LYS 23 HG2 LYS 23 -10.872 9.927 9.172 190 2HG LYS 23 HG1 LYS 23 -12.242 10.217 8.097 191 1HD LYS 23 HD2 LYS 23 -13.281 8.919 10.362 192 2HD LYS 23 HD1 LYS 23 -12.167 10.149 10.965 193 1HE LYS 23 HE1 LYS 23 -14.427 10.607 9.020 194 2HE LYS 23 HE2 LYS 23 -14.438 11.027 10.733 195 1HZ LYS 23 HZ1 LYS 23 -13.867 13.002 9.724 196 2HZ LYS 23 HZ2 LYS 23 -12.916 12.264 8.537 197 3HZ LYS 23 HZ3 LYS 23 -12.347 12.378 10.125 198 H CYS 24 HN CYS 24 -9.197 9.846 7.851 199 HA CYS 24 HA CYS 24 -7.136 8.629 9.540 200 1HB CYS 24 HB2 CYS 24 -6.668 9.934 7.324 201 2HB CYS 24 HB1 CYS 24 -6.921 11.365 8.319 202 HG CYS 24 HG CYS 24 -4.346 10.306 8.113 203 H VAL 25 HN VAL 25 -7.092 9.063 11.635 204 HA VAL 25 HA VAL 25 -8.990 10.775 12.852 205 HB VAL 25 HB VAL 25 -6.533 9.813 14.275 206 1HG1 VAL 25 HG11 VAL 25 -7.666 10.495 16.057 207 2HG1 VAL 25 HG12 VAL 25 -8.967 9.370 15.666 208 3HG1 VAL 25 HG13 VAL 25 -8.996 11.011 15.021 209 1HG2 VAL 25 HG21 VAL 25 -7.292 7.624 14.423 210 2HG2 VAL 25 HG22 VAL 25 -7.626 8.037 12.740 211 3HG2 VAL 25 HG23 VAL 25 -8.930 8.053 13.928 212 H CYS 26 HN CYS 26 -5.803 11.267 11.658 213 HA CYS 26 HA CYS 26 -5.124 13.543 13.229 214 1HB CYS 26 HB2 CYS 26 -3.358 12.343 12.129 215 2HB CYS 26 HB1 CYS 26 -4.120 12.550 10.556 216 HG CYS 26 HG CYS 26 -2.205 14.469 11.814 217 H GLY 27 HN GLY 27 -7.011 13.030 10.353 218 1HA GLY 27 HA1 GLY 27 -8.708 14.913 10.124 219 2HA GLY 27 HA2 GLY 27 -7.293 15.947 10.011 220 H ARG 28 HN ARG 28 -8.547 12.963 8.516 221 HA ARG 28 HA ARG 28 -8.609 14.045 5.903 222 1HB ARG 28 HB2 ARG 28 -6.089 12.898 6.821 223 2HB ARG 28 HB1 ARG 28 -6.704 12.095 5.383 224 1HG ARG 28 HG1 ARG 28 -6.677 14.090 4.133 225 2HG ARG 28 HG2 ARG 28 -6.469 15.076 5.583 226 1HD ARG 28 HD2 ARG 28 -4.290 13.519 5.777 227 2HD ARG 28 HD1 ARG 28 -4.480 13.544 4.023 228 HE ARG 28 HE ARG 28 -3.811 15.730 4.019 229 1HH1 ARG 28 HH12 ARG 28 -4.685 14.824 7.270 230 2HH1 ARG 28 HH11 ARG 28 -4.109 16.298 7.972 231 1HH2 ARG 28 HH22 ARG 28 -3.051 17.673 4.937 232 2HH2 ARG 28 HH21 ARG 28 -3.181 17.918 6.646 233 H THR 29 HN THR 29 -8.147 11.720 4.417 234 HA THR 29 HA THR 29 -9.884 9.681 5.600 235 HB THR 29 HB THR 29 -10.329 10.898 2.864 236 HG1 THR 29 HG1 THR 29 -11.146 12.283 4.368 237 1HG2 THR 29 HG21 THR 29 -12.428 9.589 2.890 238 2HG2 THR 29 HG22 THR 29 -11.830 8.739 4.315 239 3HG2 THR 29 HG23 THR 29 -10.969 8.604 2.782 240 H VAL 30 HN VAL 30 -9.383 7.611 4.999 241 HA VAL 30 HA VAL 30 -6.966 7.310 3.389 242 HB VAL 30 HB VAL 30 -8.356 5.195 5.029 243 1HG1 VAL 30 HG21 VAL 30 -6.253 4.004 4.880 244 2HG1 VAL 30 HG22 VAL 30 -5.533 5.333 3.973 245 3HG1 VAL 30 HG23 VAL 30 -6.835 4.384 3.259 246 1HG2 VAL 30 HG11 VAL 30 -5.892 6.160 6.146 247 2HG2 VAL 30 HG12 VAL 30 -7.492 6.064 6.883 248 3HG2 VAL 30 HG13 VAL 30 -7.037 7.486 5.943 249 H ASN 31 HN ASN 31 -7.263 7.023 1.304 250 HA ASN 31 HA ASN 31 -9.646 5.657 0.326 251 1HB ASN 31 HB2 ASN 31 -8.127 6.413 -1.873 252 2HB ASN 31 HB1 ASN 31 -9.486 7.300 -1.191 253 1HD2 ASN 31 HD22 ASN 31 -9.130 9.143 -0.039 254 2HD2 ASN 31 HD21 ASN 31 -7.586 9.909 0.073 255 H VAL 32 HN VAL 32 -9.531 3.504 0.119 256 HA VAL 32 HA VAL 32 -7.081 2.076 -0.051 257 HB VAL 32 HB VAL 32 -8.312 0.111 -0.144 258 1HG1 VAL 32 HG11 VAL 32 -10.557 0.988 1.204 259 2HG1 VAL 32 HG12 VAL 32 -9.366 2.255 1.499 260 3HG1 VAL 32 HG13 VAL 32 -8.997 0.582 1.921 261 1HG2 VAL 32 HG21 VAL 32 -10.954 0.544 -0.669 262 2HG2 VAL 32 HG22 VAL 32 -9.771 -0.064 -1.828 263 3HG2 VAL 32 HG23 VAL 32 -10.166 1.656 -1.789 264 H LYS 33 HN LYS 33 -7.425 0.199 -2.058 265 HA LYS 33 HA LYS 33 -6.282 1.468 -4.262 266 1HB LYS 33 HB2 LYS 33 -6.639 -1.125 -3.501 267 2HB LYS 33 HB1 LYS 33 -7.758 -1.013 -4.852 268 1HG LYS 33 HG1 LYS 33 -5.594 0.156 -5.941 269 2HG LYS 33 HG2 LYS 33 -4.817 -0.962 -4.817 270 1HD LYS 33 HD1 LYS 33 -6.607 -2.631 -5.862 271 2HD LYS 33 HD2 LYS 33 -6.458 -1.517 -7.224 272 1HE LYS 33 HE2 LYS 33 -4.048 -2.696 -5.879 273 2HE LYS 33 HE1 LYS 33 -4.902 -3.553 -7.162 274 1HZ LYS 33 HZ1 LYS 33 -4.592 -1.193 -8.314 275 2HZ LYS 33 HZ2 LYS 33 -3.439 -2.425 -8.432 276 3HZ LYS 33 HZ3 LYS 33 -3.229 -1.176 -7.311 277 H ASP 34 HN ASP 34 -7.342 0.973 -6.578 278 HA ASP 34 HA ASP 34 -9.745 2.607 -6.620 279 1HB ASP 34 HB1 ASP 34 -9.336 2.300 -9.192 280 2HB ASP 34 HB2 ASP 34 -8.284 3.359 -8.257 281 H ARG 35 HN ARG 35 -8.682 -0.577 -7.764 282 HA ARG 35 HA ARG 35 -11.393 -1.306 -8.501 283 1HB ARG 35 HB2 ARG 35 -8.697 -2.554 -8.781 284 2HB ARG 35 HB1 ARG 35 -10.101 -3.611 -8.792 285 1HG ARG 35 HG1 ARG 35 -11.014 -2.494 -10.697 286 2HG ARG 35 HG2 ARG 35 -9.768 -1.245 -10.621 287 1HD ARG 35 HD1 ARG 35 -8.072 -2.765 -11.257 288 2HD ARG 35 HD2 ARG 35 -9.124 -4.156 -11.002 289 HE ARG 35 HE ARG 35 -9.977 -2.280 -13.042 290 1HH1 ARG 35 HH11 ARG 35 -8.289 -5.237 -12.295 291 2HH1 ARG 35 HH12 ARG 35 -8.414 -5.866 -13.904 292 1HH2 ARG 35 HH21 ARG 35 -10.146 -3.102 -15.163 293 2HH2 ARG 35 HH22 ARG 35 -9.468 -4.653 -15.533 294 H ARG 36 HN ARG 36 -9.506 -3.805 -7.091 295 HA ARG 36 HA ARG 36 -11.491 -4.247 -5.057 296 1HB ARG 36 HB2 ARG 36 -8.889 -5.728 -5.165 297 2HB ARG 36 HB1 ARG 36 -10.480 -6.313 -4.703 298 1HG ARG 36 HG2 ARG 36 -11.075 -6.789 -6.829 299 2HG ARG 36 HG1 ARG 36 -10.174 -5.428 -7.501 300 1HD ARG 36 HD1 ARG 36 -9.086 -7.398 -8.244 301 2HD ARG 36 HD2 ARG 36 -8.070 -6.701 -6.983 302 HE ARG 36 HE ARG 36 -9.685 -8.499 -5.690 303 1HH1 ARG 36 HH12 ARG 36 -7.397 -8.637 -8.316 304 2HH1 ARG 36 HH11 ARG 36 -6.929 -10.272 -7.991 305 1HH2 ARG 36 HH21 ARG 36 -9.074 -10.651 -5.256 306 2HH2 ARG 36 HH22 ARG 36 -7.881 -11.417 -6.252 307 H ILE 37 HN ILE 37 -8.094 -4.682 -4.371 308 HA ILE 37 HA ILE 37 -7.934 -2.423 -2.565 309 HB ILE 37 HB ILE 37 -8.701 -5.051 -1.623 310 1HG1 ILE 37 HG12 ILE 37 -9.616 -2.724 -1.074 311 2HG1 ILE 37 HG11 ILE 37 -9.442 -3.855 0.264 312 1HG2 ILE 37 HG21 ILE 37 -6.298 -3.892 -0.228 313 2HG2 ILE 37 HG22 ILE 37 -6.234 -5.273 -1.323 314 3HG2 ILE 37 HG23 ILE 37 -7.164 -5.374 0.172 315 1HD1 ILE 37 HD11 ILE 37 -7.639 -1.550 -0.414 316 2HD1 ILE 37 HD12 ILE 37 -7.292 -2.749 0.831 317 3HD1 ILE 37 HD13 ILE 37 -8.707 -1.708 0.980 318 H PHE 38 HN PHE 38 -5.794 -2.113 -1.726 319 HA PHE 38 HA PHE 38 -3.746 -3.299 -3.436 320 1HB PHE 38 HB1 PHE 38 -4.059 -0.742 -2.740 321 2HB PHE 38 HB2 PHE 38 -3.079 -1.255 -1.369 322 HD1 PHE 38 HD1 PHE 38 -3.143 -0.662 -4.967 323 HD2 PHE 38 HD2 PHE 38 -0.779 -1.951 -1.672 324 HE1 PHE 38 HE1 PHE 38 -1.111 -0.419 -6.334 325 HE2 PHE 38 HE2 PHE 38 1.256 -1.710 -3.033 326 HZ PHE 38 HZ PHE 38 1.091 -0.944 -5.367 327 H GLY 39 HN GLY 39 -1.882 -4.314 -2.582 328 1HA GLY 39 HA1 GLY 39 -0.894 -5.903 -1.242 329 2HA GLY 39 HA2 GLY 39 -1.178 -4.727 0.032 330 H ARG 40 HN ARG 40 -2.348 -7.632 -1.512 331 HA ARG 40 HA ARG 40 -4.515 -7.889 0.426 332 1HB ARG 40 HB1 ARG 40 -4.425 -8.583 -2.187 333 2HB ARG 40 HB2 ARG 40 -3.946 -10.103 -1.447 334 1HG ARG 40 HG1 ARG 40 -6.372 -8.657 -0.478 335 2HG ARG 40 HG2 ARG 40 -6.441 -9.667 -1.925 336 1HD ARG 40 HD2 ARG 40 -5.161 -11.330 -0.226 337 2HD ARG 40 HD1 ARG 40 -6.163 -10.425 0.908 338 HE ARG 40 HE ARG 40 -7.094 -12.195 -1.220 339 1HH1 ARG 40 HH11 ARG 40 -7.835 -10.002 1.384 340 2HH1 ARG 40 HH12 ARG 40 -9.481 -10.521 1.525 341 1HH2 ARG 40 HH22 ARG 40 -9.261 -12.884 -1.043 342 2HH2 ARG 40 HH21 ARG 40 -10.292 -12.159 0.144 343 H ALA 41 HN ALA 41 -3.406 -8.220 2.326 344 HA ALA 41 HA ALA 41 -1.502 -10.423 2.476 345 1HB ALA 41 HB1 ALA 41 -2.275 -8.243 4.398 346 2HB ALA 41 HB2 ALA 41 -0.743 -8.465 3.549 347 3HB ALA 41 HB3 ALA 41 -1.206 -9.581 4.836 348 H ASP 42 HN ASP 42 -2.274 -12.390 2.849 349 HA ASP 42 HA ASP 42 -4.829 -12.787 4.138 350 1HB ASP 42 HB1 ASP 42 -3.881 -14.178 2.201 351 2HB ASP 42 HB2 ASP 42 -2.848 -14.943 3.406 352 H ASP 43 HN ASP 43 -1.433 -13.076 4.921 353 HA ASP 43 HA ASP 43 -1.990 -14.305 7.503 354 1HB ASP 43 HB2 ASP 43 0.566 -13.534 6.095 355 2HB ASP 43 HB1 ASP 43 0.537 -14.115 7.757 356 H PHE 44 HN PHE 44 -2.027 -13.248 9.409 357 HA PHE 44 HA PHE 44 -2.395 -10.486 9.535 358 1HB PHE 44 HB1 PHE 44 -3.276 -11.633 11.350 359 2HB PHE 44 HB2 PHE 44 -1.827 -12.605 11.575 360 HD1 PHE 44 HD1 PHE 44 -3.206 -9.196 12.000 361 HD2 PHE 44 HD2 PHE 44 -0.184 -11.978 13.112 362 HE1 PHE 44 HE1 PHE 44 -2.468 -7.674 13.787 363 HE2 PHE 44 HE2 PHE 44 0.559 -10.462 14.902 364 HZ PHE 44 HZ PHE 44 -0.583 -8.307 15.241 365 H GLU 45 HN GLU 45 0.501 -12.441 10.076 366 HA GLU 45 HA GLU 45 2.163 -10.305 10.918 367 1HB GLU 45 HB1 GLU 45 2.418 -13.063 10.685 368 2HB GLU 45 HB2 GLU 45 3.568 -12.435 9.512 369 1HG GLU 45 HG1 GLU 45 4.555 -11.034 11.292 370 2HG GLU 45 HG2 GLU 45 3.459 -11.788 12.448 371 H GLU 46 HN GLU 46 1.404 -11.714 7.784 372 HA GLU 46 HA GLU 46 3.321 -10.240 6.297 373 1HB GLU 46 HB2 GLU 46 2.114 -12.350 5.562 374 2HB GLU 46 HB1 GLU 46 0.708 -11.338 5.258 375 1HG GLU 46 HG2 GLU 46 1.517 -10.617 3.320 376 2HG GLU 46 HG1 GLU 46 3.108 -10.294 4.010 377 H ALA 47 HN ALA 47 0.192 -9.523 7.567 378 HA ALA 47 HA ALA 47 -0.631 -7.460 5.864 379 1HB ALA 47 HB1 ALA 47 -2.381 -7.678 7.217 380 2HB ALA 47 HB2 ALA 47 -1.491 -6.761 8.433 381 3HB ALA 47 HB3 ALA 47 -1.410 -8.524 8.424 382 H SER 48 HN SER 48 1.036 -7.184 9.008 383 HA SER 48 HA SER 48 1.483 -4.424 8.881 384 1HB SER 48 HB1 SER 48 2.258 -4.805 10.948 385 2HB SER 48 HB2 SER 48 2.105 -6.538 10.657 386 HG SER 48 HG SER 48 4.217 -6.585 9.946 387 H GLU 49 HN GLU 49 3.307 -7.124 7.585 388 HA GLU 49 HA GLU 49 5.654 -5.658 6.940 389 1HB GLU 49 HB2 GLU 49 4.602 -8.353 6.470 390 2HB GLU 49 HB1 GLU 49 5.599 -7.751 5.153 391 1HG GLU 49 HG2 GLU 49 6.774 -7.260 7.764 392 2HG GLU 49 HG1 GLU 49 6.492 -8.972 7.447 393 H LEU 50 HN LEU 50 2.684 -6.405 5.205 394 HA LEU 50 HA LEU 50 3.530 -5.430 2.681 395 1HB LEU 50 HB1 LEU 50 1.141 -6.526 3.852 396 2HB LEU 50 HB2 LEU 50 0.736 -5.123 2.884 397 HG LEU 50 HG LEU 50 2.253 -7.554 1.922 398 1HD1 LEU 50 HD11 LEU 50 -0.283 -6.862 0.659 399 2HD1 LEU 50 HD12 LEU 50 -0.438 -7.318 2.356 400 3HD1 LEU 50 HD13 LEU 50 0.323 -8.423 1.211 401 1HD2 LEU 50 HD21 LEU 50 3.080 -5.778 0.655 402 2HD2 LEU 50 HD22 LEU 50 1.516 -4.965 0.603 403 3HD2 LEU 50 HD23 LEU 50 1.775 -6.438 -0.332 404 H VAL 51 HN VAL 51 1.726 -3.983 5.359 405 HA VAL 51 HA VAL 51 1.236 -1.486 4.163 406 HB VAL 51 HB VAL 51 1.555 -2.156 7.090 407 1HG1 VAL 51 HG21 VAL 51 1.542 0.076 7.308 408 2HG1 VAL 51 HG22 VAL 51 -0.185 -0.076 6.980 409 3HG1 VAL 51 HG23 VAL 51 0.928 0.333 5.675 410 1HG2 VAL 51 HG11 VAL 51 -0.967 -2.131 7.021 411 2HG2 VAL 51 HG12 VAL 51 -0.191 -3.494 6.215 412 3HG2 VAL 51 HG13 VAL 51 -0.835 -2.156 5.262 413 H ARG 52 HN ARG 52 3.932 -2.700 6.107 414 HA ARG 52 HA ARG 52 5.273 -0.255 6.458 415 1HB ARG 52 HB1 ARG 52 5.907 -3.108 6.763 416 2HB ARG 52 HB2 ARG 52 7.299 -2.109 6.368 417 1HG ARG 52 HG1 ARG 52 7.223 -0.971 8.345 418 2HG ARG 52 HG2 ARG 52 5.482 -1.197 8.534 419 1HD ARG 52 HD1 ARG 52 5.718 -3.188 9.572 420 2HD ARG 52 HD2 ARG 52 7.103 -3.657 8.584 421 HE ARG 52 HE ARG 52 7.188 -1.997 11.005 422 1HH1 ARG 52 HH11 ARG 52 8.817 -3.826 8.525 423 2HH1 ARG 52 HH12 ARG 52 10.345 -3.814 9.342 424 1HH2 ARG 52 HH21 ARG 52 9.195 -1.977 12.085 425 2HH2 ARG 52 HH22 ARG 52 10.560 -2.764 11.364 426 H LYS 53 HN LYS 53 5.477 -2.705 3.912 427 HA LYS 53 HA LYS 53 7.528 -1.379 2.437 428 1HB LYS 53 HB2 LYS 53 6.938 -3.806 2.202 429 2HB LYS 53 HB1 LYS 53 5.447 -3.319 1.407 430 1HG LYS 53 HG2 LYS 53 6.791 -3.758 -0.393 431 2HG LYS 53 HG1 LYS 53 7.061 -2.026 -0.188 432 1HD LYS 53 HD2 LYS 53 9.157 -2.361 0.820 433 2HD LYS 53 HD1 LYS 53 8.832 -4.071 1.118 434 1HE LYS 53 HE1 LYS 53 10.248 -4.176 -0.697 435 2HE LYS 53 HE2 LYS 53 8.665 -4.210 -1.476 436 1HZ LYS 53 HZ1 LYS 53 9.383 -1.540 -1.188 437 2HZ LYS 53 HZ2 LYS 53 9.267 -2.432 -2.621 438 3HZ LYS 53 HZ3 LYS 53 10.742 -2.338 -1.799 439 H LEU 54 HN LEU 54 4.046 -1.237 2.573 440 HA LEU 54 HA LEU 54 3.638 0.294 0.213 441 1HB LEU 54 HB1 LEU 54 2.049 -0.815 2.331 442 2HB LEU 54 HB2 LEU 54 1.588 0.857 2.079 443 HG LEU 54 HG LEU 54 0.187 -0.655 0.772 444 1HD1 LEU 54 HD11 LEU 54 0.729 0.324 -1.531 445 2HD1 LEU 54 HD12 LEU 54 2.039 1.176 -0.712 446 3HD1 LEU 54 HD13 LEU 54 0.367 1.448 -0.221 447 1HD2 LEU 54 HD21 LEU 54 1.066 -2.496 -0.093 448 2HD2 LEU 54 HD22 LEU 54 2.703 -1.912 0.207 449 3HD2 LEU 54 HD23 LEU 54 1.879 -1.493 -1.294 450 H GLN 55 HN GLN 55 5.057 1.069 3.153 451 HA GLN 55 HA GLN 55 4.122 3.704 3.551 452 1HB GLN 55 HB1 GLN 55 6.485 2.137 4.484 453 2HB GLN 55 HB2 GLN 55 6.481 3.878 4.723 454 1HG GLN 55 HG1 GLN 55 4.569 3.787 6.095 455 2HG GLN 55 HG2 GLN 55 4.221 2.123 5.629 456 1HE2 GLN 55 HE22 GLN 55 4.672 3.391 8.268 457 2HE2 GLN 55 HE21 GLN 55 5.934 2.469 9.004 458 H GLU 56 HN GLU 56 6.411 5.266 3.731 459 HA GLU 56 HA GLU 56 6.698 6.088 0.996 460 1HB GLU 56 HB1 GLU 56 6.550 7.621 3.023 461 2HB GLU 56 HB2 GLU 56 8.213 7.169 3.370 462 1HG GLU 56 HG2 GLU 56 8.135 9.278 2.198 463 2HG GLU 56 HG1 GLU 56 8.903 8.048 1.195 464 H GLU 57 HN GLU 57 7.684 3.959 0.386 465 HA GLU 57 HA GLU 57 10.388 3.438 1.195 466 1HB GLU 57 HB1 GLU 57 8.350 2.138 -0.445 467 2HB GLU 57 HB2 GLU 57 9.964 1.995 -1.128 468 1HG GLU 57 HG2 GLU 57 9.241 1.247 1.695 469 2HG GLU 57 HG1 GLU 57 9.319 0.114 0.347 470 H LYS 58 HN LYS 58 12.207 4.199 0.325 471 HA LYS 58 HA LYS 58 12.073 6.129 -1.786 472 1HB LYS 58 HB1 LYS 58 14.394 4.991 -0.226 473 2HB LYS 58 HB2 LYS 58 14.562 6.248 -1.444 474 1HG LYS 58 HG2 LYS 58 13.179 7.744 -0.149 475 2HG LYS 58 HG1 LYS 58 12.874 6.476 1.039 476 1HD LYS 58 HD2 LYS 58 15.172 6.457 1.709 477 2HD LYS 58 HD1 LYS 58 15.619 7.538 0.388 478 1HE LYS 58 HE2 LYS 58 15.335 9.238 1.791 479 2HE LYS 58 HE1 LYS 58 13.608 8.884 1.766 480 1HZ LYS 58 HZ1 LYS 58 15.266 8.782 3.946 481 2HZ LYS 58 HZ2 LYS 58 15.002 7.159 3.552 482 3HZ LYS 58 HZ3 LYS 58 13.687 8.179 3.854 483 H TYR 59 HN TYR 59 12.888 5.983 -3.850 484 HA TYR 59 HA TYR 59 13.151 3.282 -4.890 485 1HB TYR 59 HB2 TYR 59 13.153 5.905 -6.399 486 2HB TYR 59 HB1 TYR 59 12.938 4.296 -7.083 487 HD1 TYR 59 HD1 TYR 59 10.842 3.053 -6.696 488 HD2 TYR 59 HD2 TYR 59 11.334 7.058 -5.347 489 HE1 TYR 59 HE1 TYR 59 8.408 3.250 -6.412 490 HE2 TYR 59 HE2 TYR 59 8.900 7.265 -5.060 491 HH TYR 59 HH TYR 59 6.936 5.443 -4.624 492 H GLY 60 HN GLY 60 15.057 2.337 -5.100 493 1HA GLY 60 HA1 GLY 60 17.278 3.548 -6.359 494 2HA GLY 60 HA2 GLY 60 17.522 3.558 -4.619 495 H SER 61 HN SER 61 16.193 1.088 -4.076 496 HA SER 61 HA SER 61 18.315 -0.722 -4.899 497 1HB SER 61 HB1 SER 61 17.785 -0.737 -2.548 498 2HB SER 61 HB2 SER 61 16.072 -0.997 -2.886 499 HG SER 61 HG SER 61 16.575 -3.027 -2.704 500 H CYS 62 HN CYS 62 18.114 -2.093 -6.528 501 HA CYS 62 HA CYS 62 15.416 -2.991 -7.298 502 1HB CYS 62 HB1 CYS 62 17.605 -1.851 -8.980 503 2HB CYS 62 HB2 CYS 62 16.605 -3.125 -9.672 504 HG CYS 62 HG CYS 62 15.237 -0.561 -8.589 505 H HIS 63 HN HIS 63 15.166 -5.130 -7.496 506 HA HIS 63 HA HIS 63 17.532 -6.816 -7.130 507 1HB HIS 63 HB2 HIS 63 15.164 -8.382 -7.098 508 2HB HIS 63 HB1 HIS 63 16.217 -7.979 -5.747 509 HD2 HIS 63 HD2 HIS 63 15.243 -6.139 -3.967 510 HE1 HIS 63 HE1 HIS 63 11.580 -5.495 -5.988 511 HE2 HIS 63 HE2 HIS 63 12.894 -5.041 -3.867 512 H PHE 64 HN PHE 64 14.503 -6.954 -9.016 513 HA PHE 64 HA PHE 64 15.451 -8.886 -10.841 514 1HB PHE 64 HB1 PHE 64 13.115 -7.032 -10.734 515 2HB PHE 64 HB2 PHE 64 13.499 -7.793 -12.274 516 HD1 PHE 64 HD1 PHE 64 12.214 -8.289 -8.915 517 HD2 PHE 64 HD2 PHE 64 13.375 -10.226 -12.522 518 HE1 PHE 64 HE1 PHE 64 11.029 -10.324 -8.199 519 HE2 PHE 64 HE2 PHE 64 12.192 -12.264 -11.814 520 HZ PHE 64 HZ PHE 64 11.017 -12.314 -9.650 521 H THR 65 HN THR 65 15.619 -8.480 -13.236 522 HA THR 65 HA THR 65 17.417 -6.210 -13.657 523 HB THR 65 HB THR 65 16.929 -8.435 -15.623 524 HG1 THR 65 HG1 THR 65 18.008 -9.779 -14.435 525 1HG2 THR 65 HG21 THR 65 19.516 -7.055 -15.039 526 2HG2 THR 65 HG22 THR 65 18.345 -6.391 -16.178 527 3HG2 THR 65 HG23 THR 65 19.048 -7.984 -16.463 528 H ASN 66 HN ASN 66 16.748 -4.452 -14.671 529 HA ASN 66 HA ASN 66 14.148 -4.226 -15.786 530 1HB ASN 66 HB2 ASN 66 16.448 -2.462 -15.301 531 2HB ASN 66 HB1 ASN 66 15.510 -2.030 -16.728 532 1HD2 ASN 66 HD21 ASN 66 14.061 -0.545 -16.314 533 2HD2 ASN 66 HD22 ASN 66 13.144 -0.384 -14.858 534 HA PRO 67 HA PRO 67 14.582 -5.528 -19.974 535 1HB PRO 67 HB2 PRO 67 13.275 -2.966 -20.736 536 2HB PRO 67 HB1 PRO 67 12.824 -4.625 -21.143 537 1HG PRO 67 HG2 PRO 67 11.446 -3.251 -19.325 538 2HG PRO 67 HG1 PRO 67 11.778 -4.980 -19.100 539 1HD PRO 67 HD1 PRO 67 13.070 -2.613 -17.809 540 2HD PRO 67 HD2 PRO 67 12.668 -4.199 -17.117 541 H SER 68 HN SER 68 15.270 -2.099 -19.361 542 HA SER 68 HA SER 68 17.029 -1.911 -21.643 543 1HB SER 68 HB1 SER 68 16.522 0.065 -19.404 544 2HB SER 68 HB2 SER 68 17.394 0.403 -20.900 545 HG SER 68 HG SER 68 15.511 0.884 -21.676 546 H LYS 69 HN LYS 69 17.299 -2.908 -18.415 547 HA LYS 69 HA LYS 69 20.117 -2.242 -18.170 548 1HB LYS 69 HB1 LYS 69 17.978 -3.000 -16.372 549 2HB LYS 69 HB2 LYS 69 19.409 -3.984 -16.094 550 1HG LYS 69 HG1 LYS 69 20.586 -2.269 -15.246 551 2HG LYS 69 HG2 LYS 69 19.902 -1.100 -16.377 552 1HD LYS 69 HD1 LYS 69 18.096 -0.650 -15.035 553 2HD LYS 69 HD2 LYS 69 18.139 -2.237 -14.264 554 1HE LYS 69 HE1 LYS 69 20.433 -0.405 -13.814 555 2HE LYS 69 HE2 LYS 69 18.913 -0.041 -12.999 556 1HZ LYS 69 HZ1 LYS 69 20.805 -1.757 -12.103 557 2HZ LYS 69 HZ2 LYS 69 19.675 -2.803 -12.803 558 3HZ LYS 69 HZ3 LYS 69 19.194 -1.727 -11.590 559 H ARG 70 HN ARG 70 21.753 -3.567 -18.648 560 HA ARG 70 HA ARG 70 21.176 -6.148 -19.807 561 1HB ARG 70 HB1 ARG 70 23.600 -4.414 -19.565 562 2HB ARG 70 HB2 ARG 70 23.809 -6.122 -19.925 563 1HG ARG 70 HG1 ARG 70 21.837 -4.650 -21.562 564 2HG ARG 70 HG2 ARG 70 23.541 -4.262 -21.812 565 1HD ARG 70 HD2 ARG 70 23.980 -6.243 -22.778 566 2HD ARG 70 HD1 ARG 70 22.950 -7.130 -21.655 567 HE ARG 70 HE ARG 70 22.063 -5.796 -24.118 568 1HH1 ARG 70 HH11 ARG 70 21.472 -7.971 -21.459 569 2HH1 ARG 70 HH12 ARG 70 20.018 -8.618 -22.144 570 1HH2 ARG 70 HH21 ARG 70 20.152 -6.642 -25.025 571 2HH2 ARG 70 HH22 ARG 70 19.268 -7.862 -24.171 572 H GLU 71 HN GLU 71 23.577 -5.146 -17.364 573 HA GLU 71 HA GLU 71 23.474 -7.812 -16.201 574 1HB GLU 71 HB2 GLU 71 25.387 -7.047 -14.842 575 2HB GLU 71 HB1 GLU 71 25.669 -6.829 -16.564 576 1HG GLU 71 HG1 GLU 71 24.726 -4.421 -16.064 577 2HG GLU 71 HG2 GLU 71 25.273 -4.804 -14.433 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -10.081 -11.845 4.120 2 2H MET 1 HT2 MET 1 -10.453 -11.711 5.791 3 3H MET 1 HT3 MET 1 -10.005 -13.231 5.131 4 HA MET 1 HA MET 1 -8.162 -12.453 6.258 5 1HB MET 1 HB2 MET 1 -7.333 -11.516 3.587 6 2HB MET 1 HB1 MET 1 -6.685 -12.819 4.572 7 1HG MET 1 HG2 MET 1 -7.577 -14.179 3.060 8 2HG MET 1 HG1 MET 1 -9.120 -13.813 3.830 9 1HE MET 1 HE1 MET 1 -8.324 -14.834 0.916 10 2HE MET 1 HE2 MET 1 -9.219 -13.883 -0.270 11 3HE MET 1 HE3 MET 1 -10.067 -14.627 1.085 12 H TYR 2 HN TYR 2 -6.273 -10.612 5.302 13 HA TYR 2 HA TYR 2 -7.499 -8.095 6.195 14 1HB TYR 2 HB2 TYR 2 -4.816 -9.326 6.543 15 2HB TYR 2 HB1 TYR 2 -4.868 -7.574 6.375 16 HD1 TYR 2 HD1 TYR 2 -5.400 -6.224 8.209 17 HD2 TYR 2 HD2 TYR 2 -6.278 -10.384 8.362 18 HE1 TYR 2 HE1 TYR 2 -5.984 -6.007 10.586 19 HE2 TYR 2 HE2 TYR 2 -6.865 -10.179 10.740 20 HH TYR 2 HH TYR 2 -7.067 -7.060 12.320 21 H ILE 3 HN ILE 3 -6.841 -6.115 5.191 22 HA ILE 3 HA ILE 3 -5.854 -6.414 2.432 23 HB ILE 3 HB ILE 3 -7.424 -4.530 1.829 24 1HG1 ILE 3 HG12 ILE 3 -9.091 -5.313 4.182 25 2HG1 ILE 3 HG11 ILE 3 -7.797 -4.144 4.424 26 1HG2 ILE 3 HG21 ILE 3 -9.109 -5.975 1.212 27 2HG2 ILE 3 HG22 ILE 3 -9.029 -6.884 2.722 28 3HG2 ILE 3 HG23 ILE 3 -7.770 -7.086 1.502 29 1HD1 ILE 3 HD11 ILE 3 -10.167 -3.302 3.898 30 2HD1 ILE 3 HD12 ILE 3 -9.793 -3.763 2.237 31 3HD1 ILE 3 HD13 ILE 3 -8.797 -2.566 3.066 32 H ILE 4 HN ILE 4 -4.970 -4.401 1.519 33 HA ILE 4 HA ILE 4 -4.012 -2.537 3.591 34 HB ILE 4 HB ILE 4 -2.461 -3.928 1.439 35 1HG1 ILE 4 HG11 ILE 4 -0.797 -3.657 3.534 36 2HG1 ILE 4 HG12 ILE 4 -2.336 -3.548 4.383 37 1HG2 ILE 4 HG21 ILE 4 -1.525 -2.005 0.796 38 2HG2 ILE 4 HG22 ILE 4 -0.690 -2.056 2.352 39 3HG2 ILE 4 HG23 ILE 4 -2.173 -1.118 2.176 40 1HD1 ILE 4 HD11 ILE 4 -1.665 -5.793 2.512 41 2HD1 ILE 4 HD12 ILE 4 -2.983 -5.703 3.680 42 3HD1 ILE 4 HD13 ILE 4 -1.316 -5.833 4.240 43 H PHE 5 HN PHE 5 -3.747 -0.364 2.937 44 HA PHE 5 HA PHE 5 -4.701 0.363 0.271 45 1HB PHE 5 HB1 PHE 5 -6.011 2.223 1.786 46 2HB PHE 5 HB2 PHE 5 -6.751 0.782 1.106 47 HD1 PHE 5 HD1 PHE 5 -5.631 2.435 4.130 48 HD2 PHE 5 HD2 PHE 5 -7.204 -1.169 2.505 49 HE1 PHE 5 HE1 PHE 5 -6.250 1.694 6.387 50 HE2 PHE 5 HE2 PHE 5 -7.827 -1.917 4.765 51 HZ PHE 5 HZ PHE 5 -7.344 -0.480 6.707 52 H ARG 6 HN ARG 6 -4.947 3.122 0.715 53 HA ARG 6 HA ARG 6 -2.365 3.946 1.821 54 1HB ARG 6 HB2 ARG 6 -3.270 4.415 -1.020 55 2HB ARG 6 HB1 ARG 6 -1.990 5.348 -0.258 56 1HG ARG 6 HG1 ARG 6 -0.496 3.661 -0.382 57 2HG ARG 6 HG2 ARG 6 -1.718 2.413 -0.128 58 1HD ARG 6 HD1 ARG 6 -2.116 2.171 -2.331 59 2HD ARG 6 HD2 ARG 6 -1.957 3.897 -2.653 60 HE ARG 6 HE ARG 6 0.524 2.536 -2.073 61 1HH1 ARG 6 HH22 ARG 6 -1.724 3.552 -4.534 62 2HH1 ARG 6 HH21 ARG 6 -0.551 3.505 -5.807 63 1HH2 ARG 6 HH11 ARG 6 2.077 2.473 -3.744 64 2HH2 ARG 6 HH12 ARG 6 1.609 2.893 -5.359 65 H CYS 7 HN CYS 7 -2.460 5.830 2.886 66 HA CYS 7 HA CYS 7 -4.963 7.220 3.060 67 1HB CYS 7 HB2 CYS 7 -3.311 6.831 4.975 68 2HB CYS 7 HB1 CYS 7 -2.348 8.120 4.258 69 HG CYS 7 HG CYS 7 -5.137 8.533 5.553 70 H ASP 8 HN ASP 8 -5.035 9.640 2.846 71 HA ASP 8 HA ASP 8 -4.354 10.390 0.242 72 1HB ASP 8 HB1 ASP 8 -6.002 11.399 2.179 73 2HB ASP 8 HB2 ASP 8 -4.732 12.619 2.130 74 H CYS 9 HN CYS 9 -2.633 10.732 3.243 75 HA CYS 9 HA CYS 9 -0.716 12.640 2.292 76 1HB CYS 9 HB2 CYS 9 -0.521 10.707 4.613 77 2HB CYS 9 HB1 CYS 9 0.510 12.110 4.343 78 HG CYS 9 HG CYS 9 -1.817 12.272 5.988 79 H GLY 10 HN GLY 10 -1.323 9.662 1.245 80 1HA GLY 10 HA2 GLY 10 -0.064 8.361 -0.226 81 2HA GLY 10 HA1 GLY 10 1.371 9.267 0.239 82 H ARG 11 HN ARG 11 -0.585 8.130 2.790 83 HA ARG 11 HA ARG 11 1.544 6.412 3.720 84 1HB ARG 11 HB1 ARG 11 -1.161 6.794 4.997 85 2HB ARG 11 HB2 ARG 11 0.328 6.265 5.766 86 1HG ARG 11 HG1 ARG 11 0.404 8.921 4.489 87 2HG ARG 11 HG2 ARG 11 -0.616 8.766 5.921 88 1HD ARG 11 HD1 ARG 11 1.689 9.477 6.451 89 2HD ARG 11 HD2 ARG 11 1.243 7.951 7.217 90 HE ARG 11 HE ARG 11 2.567 6.825 5.505 91 1HH1 ARG 11 HH12 ARG 11 3.066 10.247 5.937 92 2HH1 ARG 11 HH11 ARG 11 4.660 10.230 5.262 93 1HH2 ARG 11 HH22 ARG 11 4.666 6.795 4.614 94 2HH2 ARG 11 HH21 ARG 11 5.570 8.269 4.509 95 H ALA 12 HN ALA 12 0.159 4.457 5.091 96 HA ALA 12 HA ALA 12 -1.560 2.990 3.319 97 1HB ALA 12 HB1 ALA 12 1.322 2.382 3.455 98 2HB ALA 12 HB2 ALA 12 0.156 2.078 2.168 99 3HB ALA 12 HB3 ALA 12 0.230 1.002 3.564 100 H LEU 13 HN LEU 13 -2.699 1.374 4.398 101 HA LEU 13 HA LEU 13 -1.850 0.672 7.103 102 1HB LEU 13 HB1 LEU 13 -4.334 2.175 6.410 103 2HB LEU 13 HB2 LEU 13 -4.373 1.036 7.741 104 HG LEU 13 HG LEU 13 -2.319 3.231 7.598 105 1HD1 LEU 13 HD21 LEU 13 -5.121 3.562 7.907 106 2HD1 LEU 13 HD22 LEU 13 -3.845 4.771 8.049 107 3HD1 LEU 13 HD23 LEU 13 -4.354 3.857 9.468 108 1HD2 LEU 13 HD11 LEU 13 -2.597 2.859 10.153 109 2HD2 LEU 13 HD12 LEU 13 -1.643 1.718 9.204 110 3HD2 LEU 13 HD13 LEU 13 -3.295 1.314 9.670 111 H TYR 14 HN TYR 14 -3.809 -0.823 8.032 112 HA TYR 14 HA TYR 14 -4.613 -2.696 5.917 113 1HB TYR 14 HB2 TYR 14 -3.851 -4.604 7.253 114 2HB TYR 14 HB1 TYR 14 -2.510 -3.542 6.835 115 HD1 TYR 14 HD1 TYR 14 -1.544 -2.038 8.576 116 HD2 TYR 14 HD2 TYR 14 -4.426 -5.023 9.517 117 HE1 TYR 14 HE1 TYR 14 -0.913 -1.892 10.948 118 HE2 TYR 14 HE2 TYR 14 -3.803 -4.884 11.892 119 HH TYR 14 HH TYR 14 -1.223 -2.703 12.991 120 H SER 15 HN SER 15 -6.505 -3.804 6.290 121 HA SER 15 HA SER 15 -7.800 -3.741 8.875 122 1HB SER 15 HB1 SER 15 -8.369 -1.534 7.657 123 2HB SER 15 HB2 SER 15 -9.336 -2.536 6.579 124 HG SER 15 HG SER 15 -10.800 -2.646 8.070 125 H ARG 16 HN ARG 16 -10.332 -4.473 8.195 126 HA ARG 16 HA ARG 16 -9.932 -7.163 7.269 127 1HB ARG 16 HB2 ARG 16 -11.982 -5.690 8.679 128 2HB ARG 16 HB1 ARG 16 -12.690 -6.660 7.394 129 1HG ARG 16 HG2 ARG 16 -11.366 -8.608 8.325 130 2HG ARG 16 HG1 ARG 16 -11.049 -7.587 9.729 131 1HD ARG 16 HD1 ARG 16 -12.983 -8.290 10.570 132 2HD ARG 16 HD2 ARG 16 -13.788 -7.369 9.299 133 HE ARG 16 HE ARG 16 -13.643 -9.471 7.951 134 1HH1 ARG 16 HH22 ARG 16 -13.621 -9.569 11.435 135 2HH1 ARG 16 HH21 ARG 16 -14.270 -11.172 11.521 136 1HH2 ARG 16 HH11 ARG 16 -14.496 -11.580 8.056 137 2HH2 ARG 16 HH12 ARG 16 -14.767 -12.316 9.600 138 H GLU 17 HN GLU 17 -10.707 -8.116 5.402 139 HA GLU 17 HA GLU 17 -10.637 -6.645 3.044 140 1HB GLU 17 HB1 GLU 17 -10.355 -9.147 3.319 141 2HB GLU 17 HB2 GLU 17 -12.108 -9.258 3.392 142 1HG GLU 17 HG2 GLU 17 -10.947 -7.811 1.090 143 2HG GLU 17 HG1 GLU 17 -10.730 -9.560 1.139 144 H GLY 18 HN GLY 18 -11.990 -5.048 2.514 145 1HA GLY 18 HA1 GLY 18 -14.416 -5.105 1.534 146 2HA GLY 18 HA2 GLY 18 -14.823 -5.277 3.234 147 H ALA 19 HN ALA 19 -12.202 -3.451 3.436 148 HA ALA 19 HA ALA 19 -13.693 -1.043 3.863 149 1HB ALA 19 HB1 ALA 19 -12.024 -0.884 5.338 150 2HB ALA 19 HB2 ALA 19 -11.043 -0.315 3.988 151 3HB ALA 19 HB3 ALA 19 -11.010 -2.017 4.447 152 H LYS 20 HN LYS 20 -14.350 0.192 2.233 153 HA LYS 20 HA LYS 20 -12.827 0.297 -0.243 154 1HB LYS 20 HB1 LYS 20 -14.771 0.745 -1.261 155 2HB LYS 20 HB2 LYS 20 -15.508 0.272 0.262 156 1HG LYS 20 HG2 LYS 20 -14.685 3.096 -0.071 157 2HG LYS 20 HG1 LYS 20 -16.125 2.528 -0.920 158 1HD LYS 20 HD1 LYS 20 -15.732 1.976 1.999 159 2HD LYS 20 HD2 LYS 20 -16.401 3.516 1.449 160 1HE LYS 20 HE2 LYS 20 -17.584 1.038 0.335 161 2HE LYS 20 HE1 LYS 20 -17.926 1.408 2.025 162 1HZ LYS 20 HZ1 LYS 20 -19.367 2.351 0.014 163 2HZ LYS 20 HZ2 LYS 20 -18.234 3.601 0.138 164 3HZ LYS 20 HZ3 LYS 20 -19.180 3.181 1.475 165 H THR 21 HN THR 21 -13.954 2.464 2.305 166 HA THR 21 HA THR 21 -11.679 4.194 1.783 167 HB THR 21 HB THR 21 -13.347 6.203 2.062 168 HG1 THR 21 HG1 THR 21 -15.348 5.670 1.913 169 1HG2 THR 21 HG21 THR 21 -12.971 6.687 -0.075 170 2HG2 THR 21 HG22 THR 21 -13.684 5.180 -0.648 171 3HG2 THR 21 HG23 THR 21 -12.015 5.206 -0.076 172 H ARG 22 HN ARG 22 -10.719 4.189 3.685 173 HA ARG 22 HA ARG 22 -12.282 4.065 6.135 174 1HB ARG 22 HB1 ARG 22 -9.617 3.307 5.336 175 2HB ARG 22 HB2 ARG 22 -9.547 4.337 6.759 176 1HG ARG 22 HG1 ARG 22 -11.497 2.095 6.734 177 2HG ARG 22 HG2 ARG 22 -9.785 1.728 6.960 178 1HD ARG 22 HD1 ARG 22 -9.675 3.185 8.873 179 2HD ARG 22 HD2 ARG 22 -11.332 3.723 8.605 180 HE ARG 22 HE ARG 22 -10.610 0.971 9.384 181 1HH1 ARG 22 HH12 ARG 22 -12.721 3.742 9.507 182 2HH1 ARG 22 HH11 ARG 22 -13.842 3.001 10.599 183 1HH2 ARG 22 HH21 ARG 22 -12.081 -0.012 10.823 184 2HH2 ARG 22 HH22 ARG 22 -13.479 0.867 11.347 185 H LYS 23 HN LYS 23 -10.787 5.453 7.929 186 HA LYS 23 HA LYS 23 -10.420 8.160 6.943 187 1HB LYS 23 HB1 LYS 23 -12.804 8.117 7.427 188 2HB LYS 23 HB2 LYS 23 -12.496 7.466 9.030 189 1HG LYS 23 HG1 LYS 23 -11.179 9.592 9.475 190 2HG LYS 23 HG2 LYS 23 -11.907 10.218 7.994 191 1HD LYS 23 HD1 LYS 23 -14.134 9.850 8.919 192 2HD LYS 23 HD2 LYS 23 -13.422 9.184 10.391 193 1HE LYS 23 HE1 LYS 23 -12.161 11.613 10.142 194 2HE LYS 23 HE2 LYS 23 -13.795 11.960 9.578 195 1HZ LYS 23 HZ1 LYS 23 -12.940 10.952 12.220 196 2HZ LYS 23 HZ2 LYS 23 -14.536 10.772 11.687 197 3HZ LYS 23 HZ3 LYS 23 -13.872 12.318 11.862 198 H CYS 24 HN CYS 24 -9.091 9.394 8.211 199 HA CYS 24 HA CYS 24 -7.704 7.951 10.341 200 1HB CYS 24 HB2 CYS 24 -6.837 9.633 8.236 201 2HB CYS 24 HB1 CYS 24 -6.523 10.501 9.736 202 HG CYS 24 HG CYS 24 -5.175 7.855 8.890 203 H VAL 25 HN VAL 25 -7.995 8.448 12.400 204 HA VAL 25 HA VAL 25 -9.902 10.379 13.204 205 HB VAL 25 HB VAL 25 -7.924 9.305 15.162 206 1HG1 VAL 25 HG11 VAL 25 -9.881 10.767 15.769 207 2HG1 VAL 25 HG12 VAL 25 -9.799 9.225 16.621 208 3HG1 VAL 25 HG13 VAL 25 -10.930 9.435 15.283 209 1HG2 VAL 25 HG21 VAL 25 -10.017 7.397 14.784 210 2HG2 VAL 25 HG22 VAL 25 -8.272 7.164 14.689 211 3HG2 VAL 25 HG23 VAL 25 -9.175 7.650 13.252 212 H CYS 26 HN CYS 26 -6.582 10.589 12.507 213 HA CYS 26 HA CYS 26 -5.881 12.741 14.232 214 1HB CYS 26 HB2 CYS 26 -4.376 11.104 12.825 215 2HB CYS 26 HB1 CYS 26 -4.551 12.334 11.579 216 HG CYS 26 HG CYS 26 -2.803 12.543 14.048 217 H GLY 27 HN GLY 27 -7.443 12.506 11.125 218 1HA GLY 27 HA1 GLY 27 -8.937 14.534 10.786 219 2HA GLY 27 HA2 GLY 27 -7.442 15.450 10.910 220 H ARG 28 HN ARG 28 -8.583 12.571 9.127 221 HA ARG 28 HA ARG 28 -8.330 13.790 6.582 222 1HB ARG 28 HB1 ARG 28 -6.438 11.870 6.080 223 2HB ARG 28 HB2 ARG 28 -6.108 13.584 6.287 224 1HG ARG 28 HG1 ARG 28 -6.207 12.316 8.849 225 2HG ARG 28 HG2 ARG 28 -5.112 11.429 7.785 226 1HD ARG 28 HD1 ARG 28 -4.671 14.216 7.415 227 2HD ARG 28 HD2 ARG 28 -4.656 13.874 9.145 228 HE ARG 28 HE ARG 28 -3.089 12.007 7.663 229 1HH1 ARG 28 HH22 ARG 28 -3.083 15.210 9.038 230 2HH1 ARG 28 HH21 ARG 28 -1.361 15.272 9.208 231 1HH2 ARG 28 HH12 ARG 28 -0.823 12.082 7.884 232 2HH2 ARG 28 HH11 ARG 28 -0.076 13.494 8.551 233 H THR 29 HN THR 29 -7.886 11.657 4.945 234 HA THR 29 HA THR 29 -9.674 9.518 5.843 235 HB THR 29 HB THR 29 -10.036 11.079 3.277 236 HG1 THR 29 HG1 THR 29 -10.899 11.675 5.605 237 1HG2 THR 29 HG21 THR 29 -12.054 9.124 4.177 238 2HG2 THR 29 HG22 THR 29 -10.587 8.489 3.434 239 3HG2 THR 29 HG23 THR 29 -11.602 9.629 2.549 240 H VAL 30 HN VAL 30 -9.123 7.535 5.117 241 HA VAL 30 HA VAL 30 -6.755 7.369 3.398 242 HB VAL 30 HB VAL 30 -7.970 5.168 5.064 243 1HG1 VAL 30 HG21 VAL 30 -5.502 5.463 3.419 244 2HG1 VAL 30 HG22 VAL 30 -6.596 4.088 3.573 245 3HG1 VAL 30 HG23 VAL 30 -5.450 4.453 4.863 246 1HG2 VAL 30 HG11 VAL 30 -7.346 6.611 6.726 247 2HG2 VAL 30 HG12 VAL 30 -6.087 7.363 5.748 248 3HG2 VAL 30 HG13 VAL 30 -5.817 5.773 6.460 249 H ASN 31 HN ASN 31 -7.167 7.100 1.325 250 HA ASN 31 HA ASN 31 -9.569 5.677 0.464 251 1HB ASN 31 HB2 ASN 31 -8.894 7.902 -0.528 252 2HB ASN 31 HB1 ASN 31 -7.527 7.076 -1.270 253 1HD2 ASN 31 HD21 ASN 31 -8.028 7.142 -3.364 254 2HD2 ASN 31 HD22 ASN 31 -9.468 6.490 -4.059 255 H VAL 32 HN VAL 32 -9.475 3.561 0.071 256 HA VAL 32 HA VAL 32 -7.027 2.133 -0.104 257 HB VAL 32 HB VAL 32 -8.263 0.176 -0.299 258 1HG1 VAL 32 HG11 VAL 32 -10.535 1.367 1.002 259 2HG1 VAL 32 HG12 VAL 32 -9.035 2.108 1.558 260 3HG1 VAL 32 HG13 VAL 32 -9.254 0.362 1.678 261 1HG2 VAL 32 HG21 VAL 32 -10.595 0.056 -1.059 262 2HG2 VAL 32 HG22 VAL 32 -9.520 0.687 -2.306 263 3HG2 VAL 32 HG23 VAL 32 -10.560 1.787 -1.401 264 H LYS 33 HN LYS 33 -7.359 0.317 -2.162 265 HA LYS 33 HA LYS 33 -6.162 1.620 -4.322 266 1HB LYS 33 HB2 LYS 33 -6.773 -1.026 -3.611 267 2HB LYS 33 HB1 LYS 33 -7.553 -0.771 -5.167 268 1HG LYS 33 HG2 LYS 33 -4.834 0.260 -5.086 269 2HG LYS 33 HG1 LYS 33 -4.930 -1.473 -4.764 270 1HD LYS 33 HD2 LYS 33 -5.138 -1.828 -6.948 271 2HD LYS 33 HD1 LYS 33 -6.677 -0.965 -6.910 272 1HE LYS 33 HE2 LYS 33 -4.979 1.119 -6.949 273 2HE LYS 33 HE1 LYS 33 -4.017 -0.070 -7.827 274 1HZ LYS 33 HZ1 LYS 33 -6.831 0.362 -8.566 275 2HZ LYS 33 HZ2 LYS 33 -5.548 -0.193 -9.518 276 3HZ LYS 33 HZ3 LYS 33 -5.649 1.444 -9.106 277 H ASP 34 HN ASP 34 -7.230 1.086 -6.660 278 HA ASP 34 HA ASP 34 -9.590 2.785 -6.730 279 1HB ASP 34 HB2 ASP 34 -7.393 2.207 -8.509 280 2HB ASP 34 HB1 ASP 34 -8.923 1.962 -9.345 281 H ARG 35 HN ARG 35 -8.587 -0.435 -7.811 282 HA ARG 35 HA ARG 35 -11.317 -1.125 -8.529 283 1HB ARG 35 HB2 ARG 35 -8.672 -2.540 -8.742 284 2HB ARG 35 HB1 ARG 35 -10.184 -3.407 -8.978 285 1HG ARG 35 HG2 ARG 35 -10.482 -1.196 -10.583 286 2HG ARG 35 HG1 ARG 35 -8.773 -1.594 -10.757 287 1HD ARG 35 HD2 ARG 35 -9.812 -2.844 -12.429 288 2HD ARG 35 HD1 ARG 35 -9.566 -4.002 -11.122 289 HE ARG 35 HE ARG 35 -12.020 -3.261 -10.573 290 1HH1 ARG 35 HH11 ARG 35 -10.604 -3.873 -13.698 291 2HH1 ARG 35 HH12 ARG 35 -12.095 -4.383 -14.416 292 1HH2 ARG 35 HH22 ARG 35 -13.987 -3.931 -11.511 293 2HH2 ARG 35 HH21 ARG 35 -14.017 -4.416 -13.174 294 H ARG 36 HN ARG 36 -9.469 -3.670 -7.167 295 HA ARG 36 HA ARG 36 -11.435 -4.096 -5.122 296 1HB ARG 36 HB2 ARG 36 -8.841 -5.598 -5.304 297 2HB ARG 36 HB1 ARG 36 -10.412 -6.170 -4.759 298 1HG ARG 36 HG2 ARG 36 -11.214 -6.424 -6.919 299 2HG ARG 36 HG1 ARG 36 -10.002 -5.337 -7.602 300 1HD ARG 36 HD2 ARG 36 -8.457 -6.962 -7.779 301 2HD ARG 36 HD1 ARG 36 -8.919 -7.708 -6.250 302 HE ARG 36 HE ARG 36 -10.983 -8.325 -7.884 303 1HH1 ARG 36 HH12 ARG 36 -7.527 -8.684 -8.159 304 2HH1 ARG 36 HH11 ARG 36 -7.624 -10.102 -9.149 305 1HH2 ARG 36 HH21 ARG 36 -11.119 -10.192 -9.186 306 2HH2 ARG 36 HH22 ARG 36 -9.665 -10.959 -9.732 307 H ILE 37 HN ILE 37 -8.074 -4.637 -4.378 308 HA ILE 37 HA ILE 37 -7.879 -2.369 -2.582 309 HB ILE 37 HB ILE 37 -8.737 -4.969 -1.655 310 1HG1 ILE 37 HG12 ILE 37 -9.592 -2.642 -1.094 311 2HG1 ILE 37 HG11 ILE 37 -9.412 -3.753 0.260 312 1HG2 ILE 37 HG21 ILE 37 -6.269 -5.266 -1.336 313 2HG2 ILE 37 HG22 ILE 37 -7.233 -5.383 0.136 314 3HG2 ILE 37 HG23 ILE 37 -6.319 -3.913 -0.204 315 1HD1 ILE 37 HD11 ILE 37 -7.183 -2.668 0.697 316 2HD1 ILE 37 HD12 ILE 37 -8.607 -1.668 0.989 317 3HD1 ILE 37 HD13 ILE 37 -7.655 -1.438 -0.477 318 H PHE 38 HN PHE 38 -5.746 -2.184 -1.614 319 HA PHE 38 HA PHE 38 -3.690 -3.323 -3.345 320 1HB PHE 38 HB1 PHE 38 -3.996 -0.801 -2.380 321 2HB PHE 38 HB2 PHE 38 -2.910 -1.475 -1.169 322 HD1 PHE 38 HD1 PHE 38 -0.903 -2.891 -2.254 323 HD2 PHE 38 HD2 PHE 38 -3.028 0.269 -4.152 324 HE1 PHE 38 HE1 PHE 38 1.010 -2.510 -3.752 325 HE2 PHE 38 HE2 PHE 38 -1.119 0.658 -5.653 326 HZ PHE 38 HZ PHE 38 0.904 -0.734 -5.454 327 H GLY 39 HN GLY 39 -1.950 -4.523 -2.561 328 1HA GLY 39 HA1 GLY 39 -1.061 -6.238 -1.310 329 2HA GLY 39 HA2 GLY 39 -1.178 -5.067 -0.007 330 H ARG 40 HN ARG 40 -2.504 -7.937 -1.405 331 HA ARG 40 HA ARG 40 -4.674 -8.025 0.543 332 1HB ARG 40 HB1 ARG 40 -4.415 -9.008 -2.054 333 2HB ARG 40 HB2 ARG 40 -4.327 -10.436 -1.033 334 1HG ARG 40 HG1 ARG 40 -6.476 -8.467 -0.485 335 2HG ARG 40 HG2 ARG 40 -6.627 -9.494 -1.914 336 1HD ARG 40 HD1 ARG 40 -5.929 -10.723 0.713 337 2HD ARG 40 HD2 ARG 40 -7.600 -10.267 0.389 338 HE ARG 40 HE ARG 40 -7.623 -11.827 -1.423 339 1HH1 ARG 40 HH12 ARG 40 -4.790 -11.978 0.601 340 2HH1 ARG 40 HH11 ARG 40 -4.366 -13.583 0.106 341 1HH2 ARG 40 HH21 ARG 40 -7.072 -13.939 -2.080 342 2HH2 ARG 40 HH22 ARG 40 -5.661 -14.697 -1.417 343 H ALA 41 HN ALA 41 -3.595 -8.272 2.461 344 HA ALA 41 HA ALA 41 -1.715 -10.479 2.756 345 1HB ALA 41 HB1 ALA 41 -2.503 -8.212 4.570 346 2HB ALA 41 HB2 ALA 41 -0.974 -8.448 3.721 347 3HB ALA 41 HB3 ALA 41 -1.414 -9.516 5.056 348 H ASP 42 HN ASP 42 -2.387 -12.410 3.367 349 HA ASP 42 HA ASP 42 -5.003 -12.771 4.553 350 1HB ASP 42 HB2 ASP 42 -4.060 -14.309 2.797 351 2HB ASP 42 HB1 ASP 42 -2.887 -14.860 3.988 352 H ASP 43 HN ASP 43 -1.625 -12.993 5.491 353 HA ASP 43 HA ASP 43 -2.304 -13.967 8.150 354 1HB ASP 43 HB2 ASP 43 -0.123 -14.386 6.556 355 2HB ASP 43 HB1 ASP 43 0.472 -13.127 7.635 356 H PHE 44 HN PHE 44 -2.282 -12.767 9.986 357 HA PHE 44 HA PHE 44 -2.653 -10.005 9.876 358 1HB PHE 44 HB2 PHE 44 -2.328 -10.057 12.351 359 2HB PHE 44 HB1 PHE 44 -3.470 -11.262 11.765 360 HD1 PHE 44 HD1 PHE 44 -2.881 -13.632 11.756 361 HD2 PHE 44 HD2 PHE 44 -0.259 -10.690 13.362 362 HE1 PHE 44 HE1 PHE 44 -1.616 -15.398 12.911 363 HE2 PHE 44 HE2 PHE 44 1.013 -12.451 14.520 364 HZ PHE 44 HZ PHE 44 0.334 -14.808 14.295 365 H GLU 45 HN GLU 45 0.248 -11.904 10.554 366 HA GLU 45 HA GLU 45 1.919 -9.691 11.166 367 1HB GLU 45 HB1 GLU 45 2.166 -12.513 11.082 368 2HB GLU 45 HB2 GLU 45 3.422 -11.860 10.040 369 1HG GLU 45 HG2 GLU 45 4.068 -10.352 11.943 370 2HG GLU 45 HG1 GLU 45 2.966 -11.287 12.953 371 H GLU 46 HN GLU 46 1.009 -11.334 8.213 372 HA GLU 46 HA GLU 46 2.970 -10.149 6.534 373 1HB GLU 46 HB2 GLU 46 1.671 -12.206 5.971 374 2HB GLU 46 HB1 GLU 46 0.241 -11.203 5.766 375 1HG GLU 46 HG2 GLU 46 1.255 -10.046 3.920 376 2HG GLU 46 HG1 GLU 46 2.778 -10.898 4.176 377 H ALA 47 HN ALA 47 -0.068 -9.109 7.813 378 HA ALA 47 HA ALA 47 -0.769 -7.116 5.974 379 1HB ALA 47 HB1 ALA 47 -1.274 -6.653 8.865 380 2HB ALA 47 HB2 ALA 47 -1.984 -8.084 8.116 381 3HB ALA 47 HB3 ALA 47 -2.357 -6.480 7.484 382 H SER 48 HN SER 48 0.940 -6.742 9.082 383 HA SER 48 HA SER 48 1.600 -4.047 8.767 384 1HB SER 48 HB1 SER 48 1.742 -5.485 10.880 385 2HB SER 48 HB2 SER 48 3.308 -6.026 10.276 386 HG SER 48 HG SER 48 3.006 -3.993 11.725 387 H GLU 49 HN GLU 49 3.254 -6.955 7.684 388 HA GLU 49 HA GLU 49 5.679 -5.684 6.947 389 1HB GLU 49 HB2 GLU 49 4.451 -8.337 6.620 390 2HB GLU 49 HB1 GLU 49 5.556 -7.884 5.331 391 1HG GLU 49 HG2 GLU 49 7.164 -7.264 7.261 392 2HG GLU 49 HG1 GLU 49 6.106 -8.283 8.238 393 H LEU 50 HN LEU 50 2.685 -6.392 5.227 394 HA LEU 50 HA LEU 50 3.604 -5.629 2.658 395 1HB LEU 50 HB1 LEU 50 1.178 -6.576 3.838 396 2HB LEU 50 HB2 LEU 50 0.813 -5.162 2.869 397 HG LEU 50 HG LEU 50 2.265 -7.614 1.871 398 1HD1 LEU 50 HD11 LEU 50 -0.562 -6.705 1.359 399 2HD1 LEU 50 HD12 LEU 50 -0.094 -8.051 2.397 400 3HD1 LEU 50 HD13 LEU 50 0.226 -8.120 0.664 401 1HD2 LEU 50 HD21 LEU 50 2.511 -5.135 0.882 402 2HD2 LEU 50 HD22 LEU 50 1.055 -5.653 0.029 403 3HD2 LEU 50 HD23 LEU 50 2.544 -6.588 -0.120 404 H VAL 51 HN VAL 51 1.934 -3.922 5.258 405 HA VAL 51 HA VAL 51 1.524 -1.491 3.888 406 HB VAL 51 HB VAL 51 1.835 -1.979 6.849 407 1HG1 VAL 51 HG21 VAL 51 2.046 0.295 6.758 408 2HG1 VAL 51 HG22 VAL 51 0.289 0.155 6.800 409 3HG1 VAL 51 HG23 VAL 51 1.116 0.432 5.267 410 1HG2 VAL 51 HG11 VAL 51 -0.041 -3.109 5.377 411 2HG2 VAL 51 HG12 VAL 51 -0.791 -1.520 5.537 412 3HG2 VAL 51 HG13 VAL 51 -0.396 -2.457 6.977 413 H ARG 52 HN ARG 52 4.224 -2.763 5.753 414 HA ARG 52 HA ARG 52 5.686 -0.376 6.029 415 1HB ARG 52 HB1 ARG 52 6.031 -2.959 6.861 416 2HB ARG 52 HB2 ARG 52 7.269 -2.830 5.620 417 1HG ARG 52 HG2 ARG 52 8.030 -0.718 6.798 418 2HG ARG 52 HG1 ARG 52 6.978 -1.209 8.128 419 1HD ARG 52 HD2 ARG 52 8.193 -3.297 8.352 420 2HD ARG 52 HD1 ARG 52 9.206 -2.880 6.971 421 HE ARG 52 HE ARG 52 9.395 -1.815 9.663 422 1HH1 ARG 52 HH21 ARG 52 10.353 -1.544 6.322 423 2HH1 ARG 52 HH22 ARG 52 11.761 -0.599 6.670 424 1HH2 ARG 52 HH12 ARG 52 11.246 -0.573 10.128 425 2HH2 ARG 52 HH11 ARG 52 12.270 -0.047 8.834 426 H LYS 53 HN LYS 53 5.667 -2.854 3.504 427 HA LYS 53 HA LYS 53 7.654 -1.588 1.890 428 1HB LYS 53 HB2 LYS 53 6.148 -4.001 1.820 429 2HB LYS 53 HB1 LYS 53 5.859 -3.156 0.305 430 1HG LYS 53 HG1 LYS 53 8.291 -2.999 -0.043 431 2HG LYS 53 HG2 LYS 53 8.540 -3.919 1.442 432 1HD LYS 53 HD1 LYS 53 6.747 -5.059 -0.640 433 2HD LYS 53 HD2 LYS 53 8.488 -5.099 -0.923 434 1HE LYS 53 HE1 LYS 53 7.067 -6.207 1.495 435 2HE LYS 53 HE2 LYS 53 7.698 -7.153 0.148 436 1HZ LYS 53 HZ1 LYS 53 9.921 -6.404 0.696 437 2HZ LYS 53 HZ2 LYS 53 9.211 -7.155 2.035 438 3HZ LYS 53 HZ3 LYS 53 9.326 -5.469 1.974 439 H LEU 54 HN LEU 54 4.163 -1.469 2.165 440 HA LEU 54 HA LEU 54 3.675 0.061 -0.181 441 1HB LEU 54 HB1 LEU 54 2.155 -1.053 1.991 442 2HB LEU 54 HB2 LEU 54 1.660 0.605 1.715 443 HG LEU 54 HG LEU 54 0.250 -0.923 0.463 444 1HD1 LEU 54 HD11 LEU 54 2.121 0.661 -1.288 445 2HD1 LEU 54 HD12 LEU 54 0.637 1.239 -0.529 446 3HD1 LEU 54 HD13 LEU 54 0.559 0.016 -1.797 447 1HD2 LEU 54 HD21 LEU 54 1.264 -2.844 -0.111 448 2HD2 LEU 54 HD22 LEU 54 2.843 -2.080 -0.293 449 3HD2 LEU 54 HD23 LEU 54 1.654 -1.968 -1.591 450 H GLN 55 HN GLN 55 5.114 0.845 2.762 451 HA GLN 55 HA GLN 55 4.164 3.474 3.152 452 1HB GLN 55 HB1 GLN 55 6.401 1.840 4.167 453 2HB GLN 55 HB2 GLN 55 6.652 3.577 4.222 454 1HG GLN 55 HG2 GLN 55 4.327 2.102 5.437 455 2HG GLN 55 HG1 GLN 55 5.730 2.719 6.310 456 1HE2 GLN 55 HE22 GLN 55 5.944 4.919 6.647 457 2HE2 GLN 55 HE21 GLN 55 4.635 6.024 6.417 458 H GLU 56 HN GLU 56 6.288 5.145 3.294 459 HA GLU 56 HA GLU 56 6.647 5.868 0.541 460 1HB GLU 56 HB2 GLU 56 6.496 7.294 2.848 461 2HB GLU 56 HB1 GLU 56 8.236 7.278 2.594 462 1HG GLU 56 HG1 GLU 56 7.142 7.896 0.106 463 2HG GLU 56 HG2 GLU 56 6.202 8.823 1.274 464 H GLU 57 HN GLU 57 7.824 3.920 -0.090 465 HA GLU 57 HA GLU 57 10.479 3.487 0.915 466 1HB GLU 57 HB1 GLU 57 8.624 2.044 -0.653 467 2HB GLU 57 HB2 GLU 57 10.048 2.276 -1.658 468 1HG GLU 57 HG2 GLU 57 11.450 1.233 -0.024 469 2HG GLU 57 HG1 GLU 57 10.118 1.153 1.130 470 H LYS 58 HN LYS 58 12.386 3.491 -0.540 471 HA LYS 58 HA LYS 58 12.605 6.037 -1.836 472 1HB LYS 58 HB1 LYS 58 14.395 4.069 -0.742 473 2HB LYS 58 HB2 LYS 58 14.918 4.510 -2.362 474 1HG LYS 58 HG2 LYS 58 14.503 6.953 -1.436 475 2HG LYS 58 HG1 LYS 58 14.793 6.146 0.107 476 1HD LYS 58 HD1 LYS 58 16.825 5.135 -1.345 477 2HD LYS 58 HD2 LYS 58 16.645 6.711 -2.120 478 1HE LYS 58 HE1 LYS 58 16.586 6.765 0.814 479 2HE LYS 58 HE2 LYS 58 18.118 6.240 0.116 480 1HZ LYS 58 HZ1 LYS 58 18.553 8.395 -0.107 481 2HZ LYS 58 HZ2 LYS 58 16.950 8.852 0.183 482 3HZ LYS 58 HZ3 LYS 58 17.434 8.408 -1.376 483 H TYR 59 HN TYR 59 14.215 5.767 -3.946 484 HA TYR 59 HA TYR 59 12.461 4.559 -5.925 485 1HB TYR 59 HB2 TYR 59 14.939 6.267 -6.251 486 2HB TYR 59 HB1 TYR 59 13.897 5.732 -7.567 487 HD1 TYR 59 HD1 TYR 59 11.473 6.508 -7.566 488 HD2 TYR 59 HD2 TYR 59 14.448 8.226 -5.056 489 HE1 TYR 59 HE1 TYR 59 10.060 8.497 -7.261 490 HE2 TYR 59 HE2 TYR 59 13.043 10.219 -4.744 491 HH TYR 59 HH TYR 59 11.232 11.374 -5.760 492 H GLY 60 HN GLY 60 12.937 2.349 -5.347 493 1HA GLY 60 HA1 GLY 60 15.436 1.423 -6.610 494 2HA GLY 60 HA2 GLY 60 14.936 0.782 -5.052 495 H SER 61 HN SER 61 12.069 1.123 -6.244 496 HA SER 61 HA SER 61 11.960 -1.592 -7.275 497 1HB SER 61 HB1 SER 61 10.005 0.339 -6.135 498 2HB SER 61 HB2 SER 61 9.383 -0.841 -7.289 499 HG SER 61 HG SER 61 10.894 -2.224 -5.708 500 H CYS 62 HN CYS 62 10.171 -1.874 -9.059 501 HA CYS 62 HA CYS 62 11.194 -0.667 -11.411 502 1HB CYS 62 HB2 CYS 62 9.196 -1.814 -12.497 503 2HB CYS 62 HB1 CYS 62 10.319 -2.861 -11.634 504 HG CYS 62 HG CYS 62 7.627 -3.209 -11.141 505 H HIS 63 HN HIS 63 9.809 0.458 -13.032 506 HA HIS 63 HA HIS 63 8.589 2.752 -11.804 507 1HB HIS 63 HB2 HIS 63 9.900 2.281 -14.197 508 2HB HIS 63 HB1 HIS 63 8.226 2.505 -14.693 509 HD2 HIS 63 HD2 HIS 63 10.962 4.668 -14.866 510 HE1 HIS 63 HE1 HIS 63 8.141 7.067 -12.816 511 HE2 HIS 63 HE2 HIS 63 10.308 7.070 -14.134 512 H PHE 64 HN PHE 64 6.518 3.562 -13.140 513 HA PHE 64 HA PHE 64 4.430 1.736 -12.385 514 1HB PHE 64 HB2 PHE 64 4.440 4.510 -13.568 515 2HB PHE 64 HB1 PHE 64 2.950 3.608 -13.310 516 HD1 PHE 64 HD1 PHE 64 2.073 3.258 -11.107 517 HD2 PHE 64 HD2 PHE 64 5.769 5.289 -11.678 518 HE1 PHE 64 HE1 PHE 64 1.999 4.039 -8.775 519 HE2 PHE 64 HE2 PHE 64 5.702 6.073 -9.347 520 HZ PHE 64 HZ PHE 64 3.816 5.448 -7.892 521 H THR 65 HN THR 65 3.774 0.136 -13.649 522 HA THR 65 HA THR 65 4.097 0.359 -16.549 523 HB THR 65 HB THR 65 3.162 -2.163 -16.149 524 HG1 THR 65 HG1 THR 65 4.748 -1.583 -13.875 525 1HG2 THR 65 HG21 THR 65 5.452 -2.955 -16.205 526 2HG2 THR 65 HG22 THR 65 6.033 -1.335 -15.820 527 3HG2 THR 65 HG23 THR 65 5.209 -1.637 -17.350 528 H ASN 66 HN ASN 66 1.613 -0.873 -14.301 529 HA ASN 66 HA ASN 66 -0.474 -0.759 -16.217 530 1HB ASN 66 HB1 ASN 66 -1.788 -1.672 -14.590 531 2HB ASN 66 HB2 ASN 66 -0.216 -2.029 -13.879 532 1HD2 ASN 66 HD21 ASN 66 -3.201 -0.743 -13.305 533 2HD2 ASN 66 HD22 ASN 66 -2.841 0.181 -11.891 534 HA PRO 67 HA PRO 67 -2.948 -0.495 -15.323 535 1HB PRO 67 HB1 PRO 67 -4.715 1.253 -16.824 536 2HB PRO 67 HB2 PRO 67 -4.973 0.505 -15.248 537 1HG PRO 67 HG1 PRO 67 -4.631 3.180 -15.581 538 2HG PRO 67 HG2 PRO 67 -4.154 2.317 -14.107 539 1HD PRO 67 HD2 PRO 67 -2.459 3.212 -16.413 540 2HD PRO 67 HD1 PRO 67 -2.124 3.295 -14.670 541 H SER 68 HN SER 68 -0.808 0.494 -17.331 542 HA SER 68 HA SER 68 -2.009 -0.070 -19.886 543 1HB SER 68 HB2 SER 68 0.800 0.505 -18.962 544 2HB SER 68 HB1 SER 68 0.469 -0.011 -20.616 545 HG SER 68 HG SER 68 -0.017 2.403 -19.389 546 H LYS 69 HN LYS 69 0.635 -1.613 -18.052 547 HA LYS 69 HA LYS 69 0.214 -4.090 -19.521 548 1HB LYS 69 HB1 LYS 69 2.375 -2.915 -17.911 549 2HB LYS 69 HB2 LYS 69 2.152 -4.641 -17.662 550 1HG LYS 69 HG2 LYS 69 3.382 -4.974 -19.472 551 2HG LYS 69 HG1 LYS 69 2.058 -4.299 -20.423 552 1HD LYS 69 HD2 LYS 69 3.415 -2.094 -19.371 553 2HD LYS 69 HD1 LYS 69 4.675 -3.212 -19.895 554 1HE LYS 69 HE2 LYS 69 2.394 -2.156 -21.559 555 2HE LYS 69 HE1 LYS 69 4.095 -1.721 -21.708 556 1HZ LYS 69 HZ1 LYS 69 2.698 -4.002 -22.744 557 2HZ LYS 69 HZ2 LYS 69 4.117 -4.423 -21.926 558 3HZ LYS 69 HZ3 LYS 69 4.177 -3.335 -23.220 559 H ARG 70 HN ARG 70 -0.685 -5.906 -18.707 560 HA ARG 70 HA ARG 70 -2.148 -5.676 -16.230 561 1HB ARG 70 HB2 ARG 70 -2.783 -8.120 -16.897 562 2HB ARG 70 HB1 ARG 70 -3.428 -6.768 -17.817 563 1HG ARG 70 HG1 ARG 70 -1.589 -7.100 -19.465 564 2HG ARG 70 HG2 ARG 70 -1.135 -8.560 -18.580 565 1HD ARG 70 HD2 ARG 70 -3.922 -8.682 -19.047 566 2HD ARG 70 HD1 ARG 70 -3.154 -8.223 -20.565 567 HE ARG 70 HE ARG 70 -2.968 -10.759 -19.224 568 1HH1 ARG 70 HH11 ARG 70 -1.444 -8.595 -21.492 569 2HH1 ARG 70 HH12 ARG 70 -0.563 -9.852 -22.294 570 1HH2 ARG 70 HH21 ARG 70 -1.812 -12.419 -20.275 571 2HH2 ARG 70 HH22 ARG 70 -0.771 -12.025 -21.603 572 H GLU 71 HN GLU 71 -0.178 -5.492 -14.909 573 HA GLU 71 HA GLU 71 1.347 -7.942 -14.540 574 1HB GLU 71 HB2 GLU 71 2.047 -5.314 -14.371 575 2HB GLU 71 HB1 GLU 71 1.776 -5.696 -12.676 576 1HG GLU 71 HG2 GLU 71 3.611 -6.974 -12.535 577 2HG GLU 71 HG1 GLU 71 3.381 -7.664 -14.143 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -10.196 -11.999 5.282 2 2H MET 1 HT2 MET 1 -9.706 -12.482 6.854 3 3H MET 1 HT3 MET 1 -9.588 -13.583 5.542 4 HA MET 1 HA MET 1 -7.468 -12.656 6.170 5 1HB MET 1 HB2 MET 1 -6.888 -11.918 3.841 6 2HB MET 1 HB1 MET 1 -7.779 -13.432 3.920 7 1HG MET 1 HG2 MET 1 -9.713 -11.424 3.700 8 2HG MET 1 HG1 MET 1 -8.438 -10.996 2.560 9 1HE MET 1 HE1 MET 1 -11.626 -13.843 2.679 10 2HE MET 1 HE2 MET 1 -10.525 -13.606 4.038 11 3HE MET 1 HE3 MET 1 -10.345 -15.015 2.991 12 H TYR 2 HN TYR 2 -6.276 -10.544 4.888 13 HA TYR 2 HA TYR 2 -7.571 -8.170 6.047 14 1HB TYR 2 HB2 TYR 2 -4.907 -9.302 6.600 15 2HB TYR 2 HB1 TYR 2 -4.913 -7.573 6.267 16 HD1 TYR 2 HD1 TYR 2 -6.965 -10.000 8.252 17 HD2 TYR 2 HD2 TYR 2 -5.032 -6.211 8.113 18 HE1 TYR 2 HE1 TYR 2 -7.671 -9.560 10.567 19 HE2 TYR 2 HE2 TYR 2 -5.733 -5.762 10.425 20 HH TYR 2 HH TYR 2 -6.551 -7.841 12.538 21 H ILE 3 HN ILE 3 -6.897 -6.140 5.104 22 HA ILE 3 HA ILE 3 -5.863 -6.390 2.356 23 HB ILE 3 HB ILE 3 -7.446 -4.567 1.712 24 1HG1 ILE 3 HG11 ILE 3 -9.078 -5.227 4.133 25 2HG1 ILE 3 HG12 ILE 3 -7.790 -4.035 4.273 26 1HG2 ILE 3 HG21 ILE 3 -7.835 -7.192 1.626 27 2HG2 ILE 3 HG22 ILE 3 -9.057 -6.039 1.085 28 3HG2 ILE 3 HG23 ILE 3 -9.179 -6.765 2.689 29 1HD1 ILE 3 HD11 ILE 3 -9.933 -2.983 3.847 30 2HD1 ILE 3 HD12 ILE 3 -10.102 -3.908 2.355 31 3HD1 ILE 3 HD13 ILE 3 -8.815 -2.711 2.508 32 H ILE 4 HN ILE 4 -4.985 -4.362 1.484 33 HA ILE 4 HA ILE 4 -4.103 -2.494 3.584 34 HB ILE 4 HB ILE 4 -2.469 -3.897 1.507 35 1HG1 ILE 4 HG12 ILE 4 -0.869 -3.513 3.643 36 2HG1 ILE 4 HG11 ILE 4 -2.438 -3.429 4.438 37 1HG2 ILE 4 HG21 ILE 4 -0.748 -1.974 2.394 38 2HG2 ILE 4 HG22 ILE 4 -2.241 -1.059 2.174 39 3HG2 ILE 4 HG23 ILE 4 -1.559 -1.971 0.826 40 1HD1 ILE 4 HD11 ILE 4 -2.506 -5.631 4.485 41 2HD1 ILE 4 HD12 ILE 4 -0.974 -5.714 3.616 42 3HD1 ILE 4 HD13 ILE 4 -2.492 -5.664 2.723 43 H PHE 5 HN PHE 5 -3.831 -0.311 2.921 44 HA PHE 5 HA PHE 5 -4.740 0.385 0.230 45 1HB PHE 5 HB1 PHE 5 -6.105 2.240 1.711 46 2HB PHE 5 HB2 PHE 5 -6.813 0.795 1.003 47 HD1 PHE 5 HD1 PHE 5 -5.923 2.500 4.046 48 HD2 PHE 5 HD2 PHE 5 -7.178 -1.216 2.401 49 HE1 PHE 5 HE1 PHE 5 -6.616 1.749 6.281 50 HE2 PHE 5 HE2 PHE 5 -7.873 -1.974 4.636 51 HZ PHE 5 HZ PHE 5 -7.590 -0.486 6.578 52 H ARG 6 HN ARG 6 -5.048 3.157 0.690 53 HA ARG 6 HA ARG 6 -2.473 3.999 1.804 54 1HB ARG 6 HB2 ARG 6 -3.373 4.356 -1.041 55 2HB ARG 6 HB1 ARG 6 -2.244 5.485 -0.304 56 1HG ARG 6 HG1 ARG 6 -0.591 3.855 -0.056 57 2HG ARG 6 HG2 ARG 6 -1.736 2.532 -0.281 58 1HD ARG 6 HD1 ARG 6 -0.405 4.265 -2.289 59 2HD ARG 6 HD2 ARG 6 -0.760 2.540 -2.343 60 HE ARG 6 HE ARG 6 -3.109 3.195 -2.783 61 1HH1 ARG 6 HH22 ARG 6 -0.532 5.444 -3.449 62 2HH1 ARG 6 HH21 ARG 6 -1.428 6.315 -4.649 63 1HH2 ARG 6 HH11 ARG 6 -4.296 4.335 -4.361 64 2HH2 ARG 6 HH12 ARG 6 -3.566 5.684 -5.167 65 H CYS 7 HN CYS 7 -2.560 5.869 2.876 66 HA CYS 7 HA CYS 7 -5.064 7.246 3.121 67 1HB CYS 7 HB2 CYS 7 -3.408 6.843 5.006 68 2HB CYS 7 HB1 CYS 7 -2.405 8.089 4.272 69 HG CYS 7 HG CYS 7 -4.109 9.861 4.920 70 H ASP 8 HN ASP 8 -5.138 9.675 2.938 71 HA ASP 8 HA ASP 8 -4.511 10.457 0.329 72 1HB ASP 8 HB1 ASP 8 -6.292 11.415 1.910 73 2HB ASP 8 HB2 ASP 8 -5.000 12.409 2.575 74 H CYS 9 HN CYS 9 -2.730 10.753 3.299 75 HA CYS 9 HA CYS 9 -0.820 12.663 2.337 76 1HB CYS 9 HB1 CYS 9 -1.350 12.235 4.763 77 2HB CYS 9 HB2 CYS 9 -0.503 10.698 4.612 78 HG CYS 9 HG CYS 9 0.974 13.412 4.229 79 H GLY 10 HN GLY 10 -1.470 9.702 1.270 80 1HA GLY 10 HA2 GLY 10 -0.254 8.396 -0.231 81 2HA GLY 10 HA1 GLY 10 1.195 9.297 0.198 82 H ARG 11 HN ARG 11 -0.707 8.148 2.789 83 HA ARG 11 HA ARG 11 1.447 6.426 3.661 84 1HB ARG 11 HB1 ARG 11 -1.213 6.759 5.033 85 2HB ARG 11 HB2 ARG 11 0.332 6.316 5.744 86 1HG ARG 11 HG2 ARG 11 1.182 8.550 5.382 87 2HG ARG 11 HG1 ARG 11 -0.315 9.010 4.567 88 1HD ARG 11 HD2 ARG 11 -0.926 9.754 6.594 89 2HD ARG 11 HD1 ARG 11 -1.277 8.056 6.913 90 HE ARG 11 HE ARG 11 1.310 9.281 7.615 91 1HH1 ARG 11 HH22 ARG 11 -1.482 7.353 8.412 92 2HH1 ARG 11 HH21 ARG 11 -0.882 6.896 9.970 93 1HH2 ARG 11 HH11 ARG 11 2.107 8.683 9.665 94 2HH2 ARG 11 HH12 ARG 11 1.158 7.651 10.683 95 H ALA 12 HN ALA 12 0.004 4.504 5.090 96 HA ALA 12 HA ALA 12 -1.702 3.029 3.304 97 1HB ALA 12 HB1 ALA 12 0.258 1.109 3.846 98 2HB ALA 12 HB2 ALA 12 1.131 2.532 3.276 99 3HB ALA 12 HB3 ALA 12 -0.142 1.821 2.284 100 H LEU 13 HN LEU 13 -2.843 1.384 4.374 101 HA LEU 13 HA LEU 13 -2.105 0.801 7.142 102 1HB LEU 13 HB1 LEU 13 -4.606 2.178 6.266 103 2HB LEU 13 HB2 LEU 13 -4.664 1.096 7.643 104 HG LEU 13 HG LEU 13 -2.479 3.036 7.796 105 1HD1 LEU 13 HD21 LEU 13 -3.876 4.593 6.751 106 2HD1 LEU 13 HD22 LEU 13 -4.133 4.862 8.475 107 3HD1 LEU 13 HD23 LEU 13 -5.321 3.958 7.536 108 1HD2 LEU 13 HD11 LEU 13 -4.723 2.706 9.742 109 2HD2 LEU 13 HD12 LEU 13 -3.023 3.065 10.042 110 3HD2 LEU 13 HD13 LEU 13 -3.510 1.440 9.562 111 H TYR 14 HN TYR 14 -4.082 -0.716 8.021 112 HA TYR 14 HA TYR 14 -4.695 -2.703 5.945 113 1HB TYR 14 HB2 TYR 14 -4.053 -4.505 7.586 114 2HB TYR 14 HB1 TYR 14 -2.707 -3.574 6.938 115 HD1 TYR 14 HD1 TYR 14 -4.749 -4.226 9.923 116 HD2 TYR 14 HD2 TYR 14 -1.380 -2.151 8.356 117 HE1 TYR 14 HE1 TYR 14 -4.001 -3.726 12.210 118 HE2 TYR 14 HE2 TYR 14 -0.623 -1.646 10.640 119 HH TYR 14 HH TYR 14 -2.505 -1.835 13.286 120 H SER 15 HN SER 15 -6.589 -3.835 6.242 121 HA SER 15 HA SER 15 -8.042 -3.707 8.732 122 1HB SER 15 HB1 SER 15 -8.596 -1.538 7.580 123 2HB SER 15 HB2 SER 15 -9.313 -2.481 6.275 124 HG SER 15 HG SER 15 -10.166 -2.191 8.939 125 H ARG 16 HN ARG 16 -10.492 -4.557 8.028 126 HA ARG 16 HA ARG 16 -9.977 -7.231 7.125 127 1HB ARG 16 HB1 ARG 16 -12.255 -7.693 7.663 128 2HB ARG 16 HB2 ARG 16 -11.615 -6.653 8.927 129 1HG ARG 16 HG1 ARG 16 -13.113 -5.060 8.514 130 2HG ARG 16 HG2 ARG 16 -12.857 -5.154 6.770 131 1HD ARG 16 HD1 ARG 16 -14.169 -7.473 7.199 132 2HD ARG 16 HD2 ARG 16 -14.874 -6.469 8.466 133 HE ARG 16 HE ARG 16 -14.923 -5.787 5.597 134 1HH1 ARG 16 HH22 ARG 16 -16.337 -5.750 8.782 135 2HH1 ARG 16 HH21 ARG 16 -17.776 -4.933 8.273 136 1HH2 ARG 16 HH12 ARG 16 -16.814 -4.712 4.919 137 2HH2 ARG 16 HH11 ARG 16 -18.048 -4.343 6.078 138 H GLU 17 HN GLU 17 -10.818 -8.265 5.305 139 HA GLU 17 HA GLU 17 -10.731 -6.869 2.903 140 1HB GLU 17 HB1 GLU 17 -10.534 -9.396 3.331 141 2HB GLU 17 HB2 GLU 17 -12.291 -9.420 3.260 142 1HG GLU 17 HG2 GLU 17 -10.915 -8.082 1.022 143 2HG GLU 17 HG1 GLU 17 -10.715 -9.831 1.138 144 H GLY 18 HN GLY 18 -12.057 -5.240 2.386 145 1HA GLY 18 HA1 GLY 18 -14.447 -5.220 1.370 146 2HA GLY 18 HA2 GLY 18 -14.911 -5.477 3.044 147 H ALA 19 HN ALA 19 -12.267 -3.658 3.361 148 HA ALA 19 HA ALA 19 -13.771 -1.281 3.903 149 1HB ALA 19 HB1 ALA 19 -11.811 -2.071 5.251 150 2HB ALA 19 HB2 ALA 19 -11.757 -0.374 4.776 151 3HB ALA 19 HB3 ALA 19 -10.776 -1.562 3.918 152 H LYS 20 HN LYS 20 -14.435 0.003 2.319 153 HA LYS 20 HA LYS 20 -12.897 0.231 -0.142 154 1HB LYS 20 HB2 LYS 20 -15.670 0.727 0.684 155 2HB LYS 20 HB1 LYS 20 -15.024 1.954 -0.398 156 1HG LYS 20 HG2 LYS 20 -16.109 0.302 -1.722 157 2HG LYS 20 HG1 LYS 20 -14.369 0.128 -1.963 158 1HD LYS 20 HD2 LYS 20 -14.886 -2.061 -1.631 159 2HD LYS 20 HD1 LYS 20 -14.665 -1.586 0.054 160 1HE LYS 20 HE2 LYS 20 -16.691 -2.824 -0.067 161 2HE LYS 20 HE1 LYS 20 -17.125 -1.130 0.154 162 1HZ LYS 20 HZ1 LYS 20 -18.208 -1.111 -1.769 163 2HZ LYS 20 HZ2 LYS 20 -18.063 -2.795 -1.795 164 3HZ LYS 20 HZ3 LYS 20 -16.929 -1.836 -2.605 165 H THR 21 HN THR 21 -13.993 2.260 2.541 166 HA THR 21 HA THR 21 -11.842 4.133 1.937 167 HB THR 21 HB THR 21 -13.628 5.996 2.465 168 HG1 THR 21 HG1 THR 21 -15.411 4.736 2.779 169 1HG2 THR 21 HG21 THR 21 -13.829 4.809 -0.267 170 2HG2 THR 21 HG22 THR 21 -12.341 5.573 0.294 171 3HG2 THR 21 HG23 THR 21 -13.837 6.504 0.220 172 H ARG 22 HN ARG 22 -10.713 4.160 3.750 173 HA ARG 22 HA ARG 22 -12.030 3.866 6.333 174 1HB ARG 22 HB1 ARG 22 -9.379 3.358 5.271 175 2HB ARG 22 HB2 ARG 22 -9.297 4.299 6.754 176 1HG ARG 22 HG1 ARG 22 -11.134 2.022 6.871 177 2HG ARG 22 HG2 ARG 22 -9.439 1.592 6.630 178 1HD ARG 22 HD1 ARG 22 -9.768 1.635 8.966 179 2HD ARG 22 HD2 ARG 22 -8.908 3.123 8.570 180 HE ARG 22 HE ARG 22 -10.777 4.341 9.163 181 1HH1 ARG 22 HH11 ARG 22 -11.533 0.939 9.105 182 2HH1 ARG 22 HH12 ARG 22 -13.062 1.135 9.895 183 1HH2 ARG 22 HH21 ARG 22 -12.787 4.607 10.206 184 2HH2 ARG 22 HH22 ARG 22 -13.773 3.219 10.522 185 H LYS 23 HN LYS 23 -10.384 5.350 7.986 186 HA LYS 23 HA LYS 23 -10.326 8.082 7.009 187 1HB LYS 23 HB1 LYS 23 -12.664 7.775 7.765 188 2HB LYS 23 HB2 LYS 23 -12.075 7.310 9.355 189 1HG LYS 23 HG1 LYS 23 -11.750 9.427 9.983 190 2HG LYS 23 HG2 LYS 23 -11.047 9.881 8.429 191 1HD LYS 23 HD2 LYS 23 -12.965 11.115 8.346 192 2HD LYS 23 HD1 LYS 23 -13.556 9.614 7.629 193 1HE LYS 23 HE1 LYS 23 -15.173 10.221 9.225 194 2HE LYS 23 HE2 LYS 23 -14.234 8.932 9.978 195 1HZ LYS 23 HZ1 LYS 23 -13.568 11.773 10.434 196 2HZ LYS 23 HZ2 LYS 23 -13.157 10.426 11.372 197 3HZ LYS 23 HZ3 LYS 23 -14.752 10.993 11.358 198 H CYS 24 HN CYS 24 -8.910 9.356 8.096 199 HA CYS 24 HA CYS 24 -7.299 8.027 10.142 200 1HB CYS 24 HB2 CYS 24 -6.660 9.664 7.913 201 2HB CYS 24 HB1 CYS 24 -6.221 10.563 9.361 202 HG CYS 24 HG CYS 24 -5.045 7.757 8.708 203 H VAL 25 HN VAL 25 -7.658 8.500 12.169 204 HA VAL 25 HA VAL 25 -9.420 10.552 13.004 205 HB VAL 25 HB VAL 25 -9.545 9.261 14.785 206 1HG1 VAL 25 HG21 VAL 25 -8.532 7.192 14.877 207 2HG1 VAL 25 HG22 VAL 25 -6.996 7.798 14.255 208 3HG1 VAL 25 HG23 VAL 25 -8.373 7.602 13.167 209 1HG2 VAL 25 HG11 VAL 25 -6.654 9.685 15.450 210 2HG2 VAL 25 HG12 VAL 25 -8.016 9.446 16.545 211 3HG2 VAL 25 HG13 VAL 25 -7.864 10.952 15.641 212 H CYS 26 HN CYS 26 -6.127 10.559 12.219 213 HA CYS 26 HA CYS 26 -5.231 12.652 13.912 214 1HB CYS 26 HB2 CYS 26 -3.878 10.971 12.436 215 2HB CYS 26 HB1 CYS 26 -4.092 12.182 11.176 216 HG CYS 26 HG CYS 26 -1.842 12.624 12.416 217 H GLY 27 HN GLY 27 -7.110 12.560 11.012 218 1HA GLY 27 HA1 GLY 27 -8.445 14.703 10.805 219 2HA GLY 27 HA2 GLY 27 -6.878 15.493 10.756 220 H ARG 28 HN ARG 28 -8.272 12.625 9.142 221 HA ARG 28 HA ARG 28 -8.359 13.825 6.579 222 1HB ARG 28 HB1 ARG 28 -6.503 11.944 5.850 223 2HB ARG 28 HB2 ARG 28 -6.189 13.668 6.006 224 1HG ARG 28 HG2 ARG 28 -5.905 12.549 8.577 225 2HG ARG 28 HG1 ARG 28 -5.052 11.492 7.450 226 1HD ARG 28 HD2 ARG 28 -4.442 14.128 6.688 227 2HD ARG 28 HD1 ARG 28 -4.295 14.071 8.443 228 HE ARG 28 HE ARG 28 -2.770 12.436 6.537 229 1HH1 ARG 28 HH11 ARG 28 -3.279 13.675 9.754 230 2HH1 ARG 28 HH12 ARG 28 -1.749 13.120 10.347 231 1HH2 ARG 28 HH21 ARG 28 -0.754 11.703 7.310 232 2HH2 ARG 28 HH22 ARG 28 -0.314 11.999 8.959 233 H THR 29 HN THR 29 -8.008 11.670 4.925 234 HA THR 29 HA THR 29 -9.660 9.510 6.013 235 HB THR 29 HB THR 29 -10.253 10.968 3.428 236 HG1 THR 29 HG1 THR 29 -12.081 10.816 5.517 237 1HG2 THR 29 HG21 THR 29 -12.052 9.572 3.056 238 2HG2 THR 29 HG22 THR 29 -12.046 8.956 4.708 239 3HG2 THR 29 HG23 THR 29 -10.786 8.462 3.578 240 H VAL 30 HN VAL 30 -9.130 7.517 5.261 241 HA VAL 30 HA VAL 30 -6.859 7.385 3.416 242 HB VAL 30 HB VAL 30 -7.960 5.165 5.134 243 1HG1 VAL 30 HG21 VAL 30 -5.371 4.583 4.770 244 2HG1 VAL 30 HG22 VAL 30 -5.687 5.449 3.267 245 3HG1 VAL 30 HG23 VAL 30 -6.643 4.027 3.685 246 1HG2 VAL 30 HG11 VAL 30 -5.630 5.873 6.309 247 2HG2 VAL 30 HG12 VAL 30 -7.215 6.445 6.829 248 3HG2 VAL 30 HG13 VAL 30 -6.219 7.445 5.770 249 H ASN 31 HN ASN 31 -7.336 7.075 1.364 250 HA ASN 31 HA ASN 31 -9.753 5.602 0.622 251 1HB ASN 31 HB2 ASN 31 -9.413 7.772 -0.452 252 2HB ASN 31 HB1 ASN 31 -7.849 7.243 -1.062 253 1HD2 ASN 31 HD22 ASN 31 -10.968 5.581 -0.932 254 2HD2 ASN 31 HD21 ASN 31 -11.094 5.317 -2.635 255 H VAL 32 HN VAL 32 -9.634 3.506 0.119 256 HA VAL 32 HA VAL 32 -7.152 2.146 -0.143 257 HB VAL 32 HB VAL 32 -8.329 0.159 -0.364 258 1HG1 VAL 32 HG11 VAL 32 -9.243 2.085 1.508 259 2HG1 VAL 32 HG12 VAL 32 -9.163 0.331 1.679 260 3HG1 VAL 32 HG13 VAL 32 -10.616 1.087 1.025 261 1HG2 VAL 32 HG21 VAL 32 -9.671 0.393 -2.250 262 2HG2 VAL 32 HG22 VAL 32 -10.520 1.792 -1.592 263 3HG2 VAL 32 HG23 VAL 32 -10.831 0.181 -0.938 264 H LYS 33 HN LYS 33 -7.358 0.415 -2.231 265 HA LYS 33 HA LYS 33 -6.311 1.871 -4.365 266 1HB LYS 33 HB2 LYS 33 -7.169 -0.916 -3.910 267 2HB LYS 33 HB1 LYS 33 -7.143 -0.406 -5.592 268 1HG LYS 33 HG2 LYS 33 -4.781 0.135 -3.858 269 2HG LYS 33 HG1 LYS 33 -5.037 -1.484 -4.512 270 1HD LYS 33 HD1 LYS 33 -5.319 0.725 -6.440 271 2HD LYS 33 HD2 LYS 33 -3.693 0.478 -5.799 272 1HE LYS 33 HE1 LYS 33 -3.747 -1.849 -6.485 273 2HE LYS 33 HE2 LYS 33 -5.405 -1.663 -7.056 274 1HZ LYS 33 HZ1 LYS 33 -3.092 -0.150 -8.139 275 2HZ LYS 33 HZ2 LYS 33 -4.670 -0.164 -8.746 276 3HZ LYS 33 HZ3 LYS 33 -3.717 -1.559 -8.837 277 H ASP 34 HN ASP 34 -7.323 1.370 -6.706 278 HA ASP 34 HA ASP 34 -9.851 2.810 -6.709 279 1HB ASP 34 HB2 ASP 34 -8.610 1.967 -9.268 280 2HB ASP 34 HB1 ASP 34 -9.313 3.516 -8.815 281 H ARG 35 HN ARG 35 -8.500 -0.241 -7.889 282 HA ARG 35 HA ARG 35 -11.104 -1.172 -8.758 283 1HB ARG 35 HB2 ARG 35 -8.350 -2.397 -8.770 284 2HB ARG 35 HB1 ARG 35 -9.782 -3.318 -9.208 285 1HG ARG 35 HG1 ARG 35 -9.949 -0.980 -10.710 286 2HG ARG 35 HG2 ARG 35 -8.248 -1.449 -10.770 287 1HD ARG 35 HD1 ARG 35 -10.617 -3.172 -11.484 288 2HD ARG 35 HD2 ARG 35 -9.452 -2.469 -12.605 289 HE ARG 35 HE ARG 35 -9.133 -4.855 -11.068 290 1HH1 ARG 35 HH21 ARG 35 -7.417 -2.185 -12.507 291 2HH1 ARG 35 HH22 ARG 35 -5.927 -3.055 -12.655 292 1HH2 ARG 35 HH11 ARG 35 -7.175 -6.008 -11.260 293 2HH2 ARG 35 HH12 ARG 35 -5.790 -5.228 -11.948 294 H ARG 36 HN ARG 36 -9.171 -3.602 -7.343 295 HA ARG 36 HA ARG 36 -11.199 -4.161 -5.380 296 1HB ARG 36 HB2 ARG 36 -8.568 -5.593 -5.486 297 2HB ARG 36 HB1 ARG 36 -10.157 -6.221 -5.075 298 1HG ARG 36 HG2 ARG 36 -10.760 -6.523 -7.259 299 2HG ARG 36 HG1 ARG 36 -9.697 -5.241 -7.845 300 1HD ARG 36 HD2 ARG 36 -7.766 -6.754 -7.160 301 2HD ARG 36 HD1 ARG 36 -8.969 -8.034 -7.009 302 HE ARG 36 HE ARG 36 -7.953 -6.876 -9.449 303 1HH1 ARG 36 HH11 ARG 36 -10.514 -8.713 -7.963 304 2HH1 ARG 36 HH12 ARG 36 -11.015 -9.456 -9.445 305 1HH2 ARG 36 HH22 ARG 36 -8.607 -7.849 -11.404 306 2HH2 ARG 36 HH21 ARG 36 -9.931 -8.965 -11.400 307 H ILE 37 HN ILE 37 -7.855 -4.643 -4.538 308 HA ILE 37 HA ILE 37 -7.762 -2.393 -2.718 309 HB ILE 37 HB ILE 37 -8.617 -5.014 -1.828 310 1HG1 ILE 37 HG12 ILE 37 -9.547 -2.677 -1.347 311 2HG1 ILE 37 HG11 ILE 37 -9.473 -3.805 0.002 312 1HG2 ILE 37 HG21 ILE 37 -6.301 -3.868 -0.279 313 2HG2 ILE 37 HG22 ILE 37 -6.183 -5.262 -1.354 314 3HG2 ILE 37 HG23 ILE 37 -7.213 -5.336 0.075 315 1HD1 ILE 37 HD11 ILE 37 -7.313 -2.711 0.658 316 2HD1 ILE 37 HD12 ILE 37 -8.756 -1.708 0.807 317 3HD1 ILE 37 HD13 ILE 37 -7.660 -1.480 -0.555 318 H PHE 38 HN PHE 38 -5.676 -2.174 -1.675 319 HA PHE 38 HA PHE 38 -3.534 -3.274 -3.318 320 1HB PHE 38 HB1 PHE 38 -3.912 -0.771 -2.346 321 2HB PHE 38 HB2 PHE 38 -2.891 -1.441 -1.079 322 HD1 PHE 38 HD1 PHE 38 -0.948 -3.047 -2.349 323 HD2 PHE 38 HD2 PHE 38 -2.707 0.565 -3.753 324 HE1 PHE 38 HE1 PHE 38 1.045 -2.617 -3.725 325 HE2 PHE 38 HE2 PHE 38 -0.717 1.002 -5.133 326 HZ PHE 38 HZ PHE 38 1.162 -0.590 -5.120 327 H GLY 39 HN GLY 39 -1.862 -4.518 -2.516 328 1HA GLY 39 HA1 GLY 39 -0.999 -6.235 -1.252 329 2HA GLY 39 HA2 GLY 39 -1.128 -5.062 0.047 330 H ARG 40 HN ARG 40 -2.459 -7.919 -1.375 331 HA ARG 40 HA ARG 40 -4.647 -8.003 0.554 332 1HB ARG 40 HB1 ARG 40 -4.445 -8.927 -2.030 333 2HB ARG 40 HB2 ARG 40 -4.202 -10.390 -1.085 334 1HG ARG 40 HG1 ARG 40 -6.474 -8.600 -0.396 335 2HG ARG 40 HG2 ARG 40 -6.600 -9.643 -1.816 336 1HD ARG 40 HD1 ARG 40 -5.639 -10.866 0.710 337 2HD ARG 40 HD2 ARG 40 -7.346 -10.438 0.612 338 HE ARG 40 HE ARG 40 -7.634 -12.030 -1.078 339 1HH1 ARG 40 HH22 ARG 40 -4.331 -11.885 0.028 340 2HH1 ARG 40 HH21 ARG 40 -3.891 -13.399 -0.686 341 1HH2 ARG 40 HH12 ARG 40 -7.062 -14.025 -2.020 342 2HH2 ARG 40 HH11 ARG 40 -5.442 -14.616 -1.850 343 H ALA 41 HN ALA 41 -3.540 -8.223 2.472 344 HA ALA 41 HA ALA 41 -1.670 -10.431 2.782 345 1HB ALA 41 HB1 ALA 41 -0.927 -8.405 3.741 346 2HB ALA 41 HB2 ALA 41 -1.392 -9.447 5.087 347 3HB ALA 41 HB3 ALA 41 -2.463 -8.143 4.567 348 H ASP 42 HN ASP 42 -2.486 -12.370 3.206 349 HA ASP 42 HA ASP 42 -5.017 -12.681 4.572 350 1HB ASP 42 HB2 ASP 42 -4.213 -14.145 2.648 351 2HB ASP 42 HB1 ASP 42 -3.088 -14.872 3.792 352 H ASP 43 HN ASP 43 -1.613 -12.924 5.263 353 HA ASP 43 HA ASP 43 -2.050 -14.154 7.860 354 1HB ASP 43 HB2 ASP 43 0.395 -13.304 6.325 355 2HB ASP 43 HB1 ASP 43 0.496 -13.729 8.032 356 H PHE 44 HN PHE 44 -2.116 -13.108 9.764 357 HA PHE 44 HA PHE 44 -2.656 -10.379 9.912 358 1HB PHE 44 HB2 PHE 44 -1.466 -11.831 12.252 359 2HB PHE 44 HB1 PHE 44 -2.761 -10.638 12.226 360 HD1 PHE 44 HD1 PHE 44 -2.047 -14.008 12.658 361 HD2 PHE 44 HD2 PHE 44 -4.895 -11.426 10.832 362 HE1 PHE 44 HE1 PHE 44 -3.712 -15.819 12.703 363 HE2 PHE 44 HE2 PHE 44 -6.566 -13.232 10.875 364 HZ PHE 44 HZ PHE 44 -5.975 -15.432 11.812 365 H GLU 45 HN GLU 45 0.362 -12.123 10.571 366 HA GLU 45 HA GLU 45 1.859 -9.837 11.310 367 1HB GLU 45 HB1 GLU 45 2.349 -12.667 10.869 368 2HB GLU 45 HB2 GLU 45 3.677 -11.679 10.278 369 1HG GLU 45 HG2 GLU 45 3.544 -10.522 12.575 370 2HG GLU 45 HG1 GLU 45 2.618 -11.943 13.059 371 H GLU 46 HN GLU 46 1.233 -11.423 8.240 372 HA GLU 46 HA GLU 46 3.181 -10.021 6.731 373 1HB GLU 46 HB2 GLU 46 2.176 -12.116 5.952 374 2HB GLU 46 HB1 GLU 46 0.606 -11.334 5.839 375 1HG GLU 46 HG2 GLU 46 1.154 -11.078 3.688 376 2HG GLU 46 HG1 GLU 46 2.085 -9.702 4.278 377 H ALA 47 HN ALA 47 0.033 -9.206 7.887 378 HA ALA 47 HA ALA 47 -0.745 -7.253 6.045 379 1HB ALA 47 HB1 ALA 47 -1.911 -6.270 8.170 380 2HB ALA 47 HB2 ALA 47 -1.367 -7.773 8.915 381 3HB ALA 47 HB3 ALA 47 -2.426 -7.820 7.506 382 H SER 48 HN SER 48 0.846 -6.742 9.201 383 HA SER 48 HA SER 48 1.322 -4.008 8.866 384 1HB SER 48 HB1 SER 48 1.503 -5.433 10.999 385 2HB SER 48 HB2 SER 48 3.136 -5.816 10.455 386 HG SER 48 HG SER 48 3.757 -3.810 10.839 387 H GLU 49 HN GLU 49 3.157 -6.808 7.825 388 HA GLU 49 HA GLU 49 5.539 -5.408 7.165 389 1HB GLU 49 HB2 GLU 49 4.553 -8.112 7.009 390 2HB GLU 49 HB1 GLU 49 5.356 -7.676 5.508 391 1HG GLU 49 HG1 GLU 49 6.802 -6.898 7.931 392 2HG GLU 49 HG2 GLU 49 6.599 -8.636 7.717 393 H LEU 50 HN LEU 50 2.634 -6.263 5.364 394 HA LEU 50 HA LEU 50 3.580 -5.462 2.821 395 1HB LEU 50 HB1 LEU 50 1.185 -6.529 3.939 396 2HB LEU 50 HB2 LEU 50 0.757 -5.126 2.981 397 HG LEU 50 HG LEU 50 2.335 -7.504 1.990 398 1HD1 LEU 50 HD11 LEU 50 -0.034 -8.000 2.447 399 2HD1 LEU 50 HD12 LEU 50 0.357 -8.074 0.729 400 3HD1 LEU 50 HD13 LEU 50 -0.496 -6.674 1.379 401 1HD2 LEU 50 HD21 LEU 50 2.487 -4.982 1.034 402 2HD2 LEU 50 HD22 LEU 50 1.129 -5.609 0.098 403 3HD2 LEU 50 HD23 LEU 50 2.688 -6.430 0.050 404 H VAL 51 HN VAL 51 1.825 -3.805 5.391 405 HA VAL 51 HA VAL 51 1.297 -1.412 4.004 406 HB VAL 51 HB VAL 51 1.695 -1.809 6.969 407 1HG1 VAL 51 HG21 VAL 51 0.120 0.197 7.049 408 2HG1 VAL 51 HG22 VAL 51 0.539 0.441 5.353 409 3HG1 VAL 51 HG23 VAL 51 1.795 0.502 6.590 410 1HG2 VAL 51 HG11 VAL 51 -1.036 -1.520 6.181 411 2HG2 VAL 51 HG12 VAL 51 -0.258 -2.862 7.020 412 3HG2 VAL 51 HG13 VAL 51 -0.297 -2.828 5.258 413 H ARG 52 HN ARG 52 4.029 -2.462 5.993 414 HA ARG 52 HA ARG 52 5.383 0.009 6.071 415 1HB ARG 52 HB2 ARG 52 5.871 -1.993 7.516 416 2HB ARG 52 HB1 ARG 52 6.636 -2.744 6.122 417 1HG ARG 52 HG2 ARG 52 8.522 -1.819 6.844 418 2HG ARG 52 HG1 ARG 52 7.868 -0.289 6.258 419 1HD ARG 52 HD2 ARG 52 8.549 0.085 8.494 420 2HD ARG 52 HD1 ARG 52 6.789 -0.013 8.515 421 HE ARG 52 HE ARG 52 7.337 -2.491 9.137 422 1HH1 ARG 52 HH12 ARG 52 8.975 0.390 10.217 423 2HH1 ARG 52 HH11 ARG 52 9.449 -0.294 11.735 424 1HH2 ARG 52 HH21 ARG 52 7.958 -3.399 11.134 425 2HH2 ARG 52 HH22 ARG 52 8.872 -2.448 12.257 426 H LYS 53 HN LYS 53 5.534 -2.718 3.821 427 HA LYS 53 HA LYS 53 7.583 -1.628 2.181 428 1HB LYS 53 HB2 LYS 53 6.908 -4.034 2.184 429 2HB LYS 53 HB1 LYS 53 5.398 -3.576 1.409 430 1HG LYS 53 HG2 LYS 53 6.854 -4.388 -0.280 431 2HG LYS 53 HG1 LYS 53 6.742 -2.637 -0.476 432 1HD LYS 53 HD1 LYS 53 8.985 -2.713 -0.550 433 2HD LYS 53 HD2 LYS 53 8.871 -2.860 1.206 434 1HE LYS 53 HE2 LYS 53 8.516 -5.450 0.220 435 2HE LYS 53 HE1 LYS 53 9.828 -4.762 -0.738 436 1HZ LYS 53 HZ1 LYS 53 9.875 -4.434 2.179 437 2HZ LYS 53 HZ2 LYS 53 11.164 -4.527 1.088 438 3HZ LYS 53 HZ3 LYS 53 10.317 -5.926 1.519 439 H LEU 54 HN LEU 54 4.108 -1.335 2.340 440 HA LEU 54 HA LEU 54 3.730 0.021 -0.134 441 1HB LEU 54 HB1 LEU 54 2.139 -0.707 2.197 442 2HB LEU 54 HB2 LEU 54 1.724 0.883 1.590 443 HG LEU 54 HG LEU 54 0.312 -0.940 0.668 444 1HD1 LEU 54 HD11 LEU 54 2.013 0.688 -1.194 445 2HD1 LEU 54 HD12 LEU 54 0.386 1.032 -0.609 446 3HD1 LEU 54 HD13 LEU 54 0.652 -0.283 -1.753 447 1HD2 LEU 54 HD21 LEU 54 2.901 -2.105 0.131 448 2HD2 LEU 54 HD22 LEU 54 1.910 -2.022 -1.326 449 3HD2 LEU 54 HD23 LEU 54 1.302 -2.848 0.110 450 H GLN 55 HN GLN 55 4.710 0.946 3.065 451 HA GLN 55 HA GLN 55 4.240 3.731 2.852 452 1HB GLN 55 HB1 GLN 55 5.961 2.031 4.632 453 2HB GLN 55 HB2 GLN 55 6.043 3.785 4.713 454 1HG GLN 55 HG1 GLN 55 3.840 3.972 5.461 455 2HG GLN 55 HG2 GLN 55 3.437 2.330 4.956 456 1HE2 GLN 55 HE22 GLN 55 3.248 0.945 6.547 457 2HE2 GLN 55 HE21 GLN 55 4.075 1.005 8.063 458 H GLU 56 HN GLU 56 6.422 5.128 3.348 459 HA GLU 56 HA GLU 56 7.838 5.082 0.837 460 1HB GLU 56 HB1 GLU 56 7.113 7.072 2.593 461 2HB GLU 56 HB2 GLU 56 8.836 6.909 2.904 462 1HG GLU 56 HG1 GLU 56 9.267 7.207 0.496 463 2HG GLU 56 HG2 GLU 56 7.539 7.461 0.246 464 H GLU 57 HN GLU 57 8.447 2.744 1.986 465 HA GLU 57 HA GLU 57 10.797 2.867 3.617 466 1HB GLU 57 HB1 GLU 57 9.048 0.794 2.523 467 2HB GLU 57 HB2 GLU 57 10.742 0.326 2.536 468 1HG GLU 57 HG1 GLU 57 9.284 1.387 4.941 469 2HG GLU 57 HG2 GLU 57 9.447 -0.327 4.564 470 H LYS 58 HN LYS 58 12.838 1.760 2.942 471 HA LYS 58 HA LYS 58 13.785 2.951 0.515 472 1HB LYS 58 HB1 LYS 58 14.935 1.839 2.928 473 2HB LYS 58 HB2 LYS 58 15.781 1.255 1.501 474 1HG LYS 58 HG1 LYS 58 16.920 3.194 2.173 475 2HG LYS 58 HG2 LYS 58 15.953 3.673 0.777 476 1HD LYS 58 HD2 LYS 58 15.023 5.278 1.998 477 2HD LYS 58 HD1 LYS 58 14.344 4.048 3.066 478 1HE LYS 58 HE2 LYS 58 15.720 4.634 4.706 479 2HE LYS 58 HE1 LYS 58 17.123 4.433 3.658 480 1HZ LYS 58 HZ1 LYS 58 16.733 6.686 2.813 481 2HZ LYS 58 HZ2 LYS 58 17.022 6.676 4.480 482 3HZ LYS 58 HZ3 LYS 58 15.447 6.871 3.897 483 H TYR 59 HN TYR 59 15.154 1.665 -1.024 484 HA TYR 59 HA TYR 59 13.646 -0.675 -1.871 485 1HB TYR 59 HB2 TYR 59 14.711 1.402 -3.274 486 2HB TYR 59 HB1 TYR 59 15.969 0.187 -3.475 487 HD1 TYR 59 HD1 TYR 59 12.642 1.231 -4.426 488 HD2 TYR 59 HD2 TYR 59 15.407 -2.000 -4.538 489 HE1 TYR 59 HE1 TYR 59 11.326 0.174 -6.216 490 HE2 TYR 59 HE2 TYR 59 14.100 -3.066 -6.327 491 HH TYR 59 HH TYR 59 12.451 -2.735 -7.851 492 H GLY 60 HN GLY 60 15.932 -0.352 0.304 493 1HA GLY 60 HA1 GLY 60 17.350 -1.894 1.270 494 2HA GLY 60 HA2 GLY 60 16.880 -3.036 0.019 495 H SER 61 HN SER 61 18.675 0.039 0.220 496 HA SER 61 HA SER 61 20.499 -0.885 -1.843 497 1HB SER 61 HB2 SER 61 19.549 1.637 -1.014 498 2HB SER 61 HB1 SER 61 21.275 1.624 -0.650 499 HG SER 61 HG SER 61 21.448 0.754 -2.905 500 H CYS 62 HN CYS 62 22.835 -0.750 -1.546 501 HA CYS 62 HA CYS 62 23.605 -1.891 1.006 502 1HB CYS 62 HB1 CYS 62 24.455 -2.214 -1.651 503 2HB CYS 62 HB2 CYS 62 25.808 -1.460 -0.815 504 HG CYS 62 HG CYS 62 26.343 -3.694 0.002 505 H HIS 63 HN HIS 63 24.497 0.905 -0.995 506 HA HIS 63 HA HIS 63 26.038 2.001 1.239 507 1HB HIS 63 HB2 HIS 63 26.342 2.064 -1.585 508 2HB HIS 63 HB1 HIS 63 26.057 3.717 -1.051 509 HD2 HIS 63 HD2 HIS 63 29.014 2.228 -2.027 510 HE1 HIS 63 HE1 HIS 63 30.059 3.525 1.865 511 HE2 HIS 63 HE2 HIS 63 30.949 2.737 -0.376 512 H PHE 64 HN PHE 64 25.451 3.789 2.347 513 HA PHE 64 HA PHE 64 22.732 4.686 2.108 514 1HB PHE 64 HB2 PHE 64 24.936 5.759 3.884 515 2HB PHE 64 HB1 PHE 64 23.209 6.043 4.071 516 HD1 PHE 64 HD1 PHE 64 25.810 4.337 5.439 517 HD2 PHE 64 HD2 PHE 64 21.865 3.632 4.006 518 HE1 PHE 64 HE1 PHE 64 25.645 2.352 6.884 519 HE2 PHE 64 HE2 PHE 64 21.692 1.644 5.447 520 HZ PHE 64 HZ PHE 64 23.583 1.003 6.888 521 H THR 65 HN THR 65 22.257 5.969 0.432 522 HA THR 65 HA THR 65 24.128 8.075 -0.349 523 HB THR 65 HB THR 65 21.541 7.445 -1.750 524 HG1 THR 65 HG1 THR 65 24.017 6.144 -2.202 525 1HG2 THR 65 HG21 THR 65 23.242 9.389 -2.313 526 2HG2 THR 65 HG22 THR 65 22.385 8.489 -3.566 527 3HG2 THR 65 HG23 THR 65 24.054 8.079 -3.171 528 H ASN 66 HN ASN 66 23.622 9.217 1.693 529 HA ASN 66 HA ASN 66 21.003 10.443 1.887 530 1HB ASN 66 HB2 ASN 66 23.380 10.192 3.612 531 2HB ASN 66 HB1 ASN 66 22.533 11.730 3.749 532 1HD2 ASN 66 HD21 ASN 66 21.849 8.253 3.606 533 2HD2 ASN 66 HD22 ASN 66 20.607 8.276 4.807 534 HA PRO 67 HA PRO 67 21.842 14.076 -0.459 535 1HB PRO 67 HB2 PRO 67 20.344 15.580 1.607 536 2HB PRO 67 HB1 PRO 67 20.031 15.429 -0.125 537 1HG PRO 67 HG1 PRO 67 18.499 14.170 1.664 538 2HG PRO 67 HG2 PRO 67 18.921 13.409 0.118 539 1HD PRO 67 HD2 PRO 67 20.058 12.923 2.844 540 2HD PRO 67 HD1 PRO 67 19.670 11.759 1.560 541 H SER 68 HN SER 68 21.938 14.710 3.056 542 HA SER 68 HA SER 68 23.966 16.736 2.710 543 1HB SER 68 HB1 SER 68 23.760 17.100 5.085 544 2HB SER 68 HB2 SER 68 22.137 16.889 4.427 545 HG SER 68 HG SER 68 21.913 15.277 5.735 546 H LYS 69 HN LYS 69 24.337 13.664 2.286 547 HA LYS 69 HA LYS 69 26.517 13.138 4.135 548 1HB LYS 69 HB1 LYS 69 24.802 11.405 3.349 549 2HB LYS 69 HB2 LYS 69 25.675 11.398 1.823 550 1HG LYS 69 HG2 LYS 69 27.482 10.324 2.699 551 2HG LYS 69 HG1 LYS 69 27.236 10.992 4.313 552 1HD LYS 69 HD1 LYS 69 25.001 9.348 3.611 553 2HD LYS 69 HD2 LYS 69 26.496 8.446 3.360 554 1HE LYS 69 HE2 LYS 69 25.760 9.914 5.890 555 2HE LYS 69 HE1 LYS 69 25.580 8.178 5.639 556 1HZ LYS 69 HZ1 LYS 69 28.168 9.615 5.443 557 2HZ LYS 69 HZ2 LYS 69 27.927 7.941 5.426 558 3HZ LYS 69 HZ3 LYS 69 27.631 8.825 6.839 559 H ARG 70 HN ARG 70 28.631 13.290 3.676 560 HA ARG 70 HA ARG 70 29.407 14.550 1.195 561 1HB ARG 70 HB2 ARG 70 30.351 14.643 3.796 562 2HB ARG 70 HB1 ARG 70 31.577 13.702 2.959 563 1HG ARG 70 HG1 ARG 70 30.654 16.206 1.667 564 2HG ARG 70 HG2 ARG 70 31.672 16.342 3.103 565 1HD ARG 70 HD2 ARG 70 33.396 15.023 2.074 566 2HD ARG 70 HD1 ARG 70 32.364 14.684 0.684 567 HE ARG 70 HE ARG 70 33.483 17.333 1.335 568 1HH1 ARG 70 HH11 ARG 70 32.272 14.996 -0.950 569 2HH1 ARG 70 HH12 ARG 70 32.626 15.976 -2.333 570 1HH2 ARG 70 HH21 ARG 70 33.951 18.628 -0.482 571 2HH2 ARG 70 HH22 ARG 70 33.579 18.039 -2.068 572 H GLU 71 HN GLU 71 28.427 12.100 0.570 573 HA GLU 71 HA GLU 71 30.647 10.239 0.313 574 1HB GLU 71 HB1 GLU 71 28.308 9.495 0.876 575 2HB GLU 71 HB2 GLU 71 27.835 9.955 -0.753 576 1HG GLU 71 HG1 GLU 71 29.589 8.360 -1.592 577 2HG GLU 71 HG2 GLU 71 29.749 7.792 0.070 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -9.456 -12.647 6.964 2 2H MET 1 HT2 MET 1 -9.496 -13.612 5.545 3 3H MET 1 HT3 MET 1 -10.103 -12.008 5.510 4 HA MET 1 HA MET 1 -7.311 -12.694 6.112 5 1HB MET 1 HB2 MET 1 -6.879 -12.001 3.763 6 2HB MET 1 HB1 MET 1 -7.837 -13.470 3.880 7 1HG MET 1 HG2 MET 1 -9.537 -11.153 3.780 8 2HG MET 1 HG1 MET 1 -8.422 -11.176 2.416 9 1HE MET 1 HE1 MET 1 -11.434 -12.050 3.928 10 2HE MET 1 HE2 MET 1 -11.330 -13.801 4.107 11 3HE MET 1 HE3 MET 1 -12.273 -13.105 2.789 12 H TYR 2 HN TYR 2 -6.198 -10.577 4.825 13 HA TYR 2 HA TYR 2 -7.481 -8.205 5.999 14 1HB TYR 2 HB2 TYR 2 -4.781 -9.311 6.512 15 2HB TYR 2 HB1 TYR 2 -4.868 -7.567 6.281 16 HD1 TYR 2 HD1 TYR 2 -6.818 -10.187 8.117 17 HD2 TYR 2 HD2 TYR 2 -5.017 -6.334 8.211 18 HE1 TYR 2 HE1 TYR 2 -7.532 -9.917 10.454 19 HE2 TYR 2 HE2 TYR 2 -5.726 -6.053 10.549 20 HH TYR 2 HH TYR 2 -7.975 -7.496 11.976 21 H ILE 3 HN ILE 3 -6.822 -6.180 5.054 22 HA ILE 3 HA ILE 3 -5.742 -6.423 2.324 23 HB ILE 3 HB ILE 3 -7.339 -4.602 1.668 24 1HG1 ILE 3 HG11 ILE 3 -9.001 -5.353 4.046 25 2HG1 ILE 3 HG12 ILE 3 -7.760 -4.115 4.219 26 1HG2 ILE 3 HG21 ILE 3 -8.948 -6.940 2.586 27 2HG2 ILE 3 HG22 ILE 3 -7.654 -7.175 1.411 28 3HG2 ILE 3 HG23 ILE 3 -8.987 -6.079 1.046 29 1HD1 ILE 3 HD11 ILE 3 -10.103 -3.325 3.712 30 2HD1 ILE 3 HD12 ILE 3 -9.866 -3.982 2.093 31 3HD1 ILE 3 HD13 ILE 3 -8.816 -2.694 2.683 32 H ILE 4 HN ILE 4 -4.936 -4.341 1.450 33 HA ILE 4 HA ILE 4 -4.092 -2.473 3.561 34 HB ILE 4 HB ILE 4 -2.403 -3.824 1.489 35 1HG1 ILE 4 HG12 ILE 4 -0.840 -3.491 3.645 36 2HG1 ILE 4 HG11 ILE 4 -2.410 -3.397 4.435 37 1HG2 ILE 4 HG21 ILE 4 -0.739 -1.886 2.476 38 2HG2 ILE 4 HG22 ILE 4 -2.241 -1.000 2.207 39 3HG2 ILE 4 HG23 ILE 4 -1.487 -1.880 0.876 40 1HD1 ILE 4 HD11 ILE 4 -2.971 -5.580 3.824 41 2HD1 ILE 4 HD12 ILE 4 -1.283 -5.666 4.326 42 3HD1 ILE 4 HD13 ILE 4 -1.694 -5.661 2.611 43 H PHE 5 HN PHE 5 -3.856 -0.284 2.901 44 HA PHE 5 HA PHE 5 -4.761 0.393 0.202 45 1HB PHE 5 HB1 PHE 5 -6.164 2.225 1.668 46 2HB PHE 5 HB2 PHE 5 -6.843 0.763 0.968 47 HD1 PHE 5 HD1 PHE 5 -7.151 -1.254 2.382 48 HD2 PHE 5 HD2 PHE 5 -6.018 2.513 3.999 49 HE1 PHE 5 HE1 PHE 5 -7.840 -2.009 4.619 50 HE2 PHE 5 HE2 PHE 5 -6.705 1.765 6.235 51 HZ PHE 5 HZ PHE 5 -7.615 -0.494 6.547 52 H ARG 6 HN ARG 6 -5.104 3.159 0.639 53 HA ARG 6 HA ARG 6 -2.560 4.047 1.785 54 1HB ARG 6 HB2 ARG 6 -3.426 4.439 -1.073 55 2HB ARG 6 HB1 ARG 6 -2.244 5.488 -0.305 56 1HG ARG 6 HG1 ARG 6 -0.626 4.025 -0.673 57 2HG ARG 6 HG2 ARG 6 -1.537 2.746 0.131 58 1HD ARG 6 HD1 ARG 6 -0.914 2.311 -2.276 59 2HD ARG 6 HD2 ARG 6 -2.619 2.120 -1.872 60 HE ARG 6 HE ARG 6 -3.007 4.288 -2.912 61 1HH1 ARG 6 HH11 ARG 6 0.025 2.708 -3.589 62 2HH1 ARG 6 HH12 ARG 6 0.286 3.565 -5.072 63 1HH2 ARG 6 HH21 ARG 6 -2.671 5.418 -4.862 64 2HH2 ARG 6 HH22 ARG 6 -1.246 5.105 -5.796 65 H CYS 7 HN CYS 7 -2.729 5.909 2.872 66 HA CYS 7 HA CYS 7 -5.264 7.223 3.047 67 1HB CYS 7 HB2 CYS 7 -3.683 6.914 4.979 68 2HB CYS 7 HB1 CYS 7 -2.627 8.108 4.230 69 HG CYS 7 HG CYS 7 -5.293 9.365 4.604 70 H ASP 8 HN ASP 8 -5.409 9.649 2.863 71 HA ASP 8 HA ASP 8 -4.795 10.441 0.254 72 1HB ASP 8 HB1 ASP 8 -6.085 11.617 2.590 73 2HB ASP 8 HB2 ASP 8 -5.208 12.814 1.641 74 H CYS 9 HN CYS 9 -3.036 10.790 3.230 75 HA CYS 9 HA CYS 9 -1.172 12.747 2.266 76 1HB CYS 9 HB1 CYS 9 -1.702 12.317 4.694 77 2HB CYS 9 HB2 CYS 9 -0.803 10.809 4.556 78 HG CYS 9 HG CYS 9 0.970 12.360 5.388 79 H GLY 10 HN GLY 10 -1.744 9.754 1.232 80 1HA GLY 10 HA2 GLY 10 -0.499 8.470 -0.260 81 2HA GLY 10 HA1 GLY 10 0.924 9.418 0.150 82 H ARG 11 HN ARG 11 -0.954 8.165 2.737 83 HA ARG 11 HA ARG 11 1.283 6.557 3.617 84 1HB ARG 11 HB1 ARG 11 -1.382 6.655 4.994 85 2HB ARG 11 HB2 ARG 11 0.216 6.413 5.690 86 1HG ARG 11 HG2 ARG 11 0.214 8.947 4.433 87 2HG ARG 11 HG1 ARG 11 -1.256 8.824 5.402 88 1HD ARG 11 HD1 ARG 11 -0.114 9.038 7.298 89 2HD ARG 11 HD2 ARG 11 1.009 7.761 6.832 90 HE ARG 11 HE ARG 11 1.991 9.748 5.415 91 1HH1 ARG 11 HH11 ARG 11 0.811 9.785 8.694 92 2HH1 ARG 11 HH12 ARG 11 1.866 11.062 9.196 93 1HH2 ARG 11 HH21 ARG 11 3.384 11.431 6.069 94 2HH2 ARG 11 HH22 ARG 11 3.328 11.998 7.705 95 H ALA 12 HN ALA 12 -0.114 4.561 5.032 96 HA ALA 12 HA ALA 12 -1.677 2.992 3.213 97 1HB ALA 12 HB1 ALA 12 0.069 1.064 3.390 98 2HB ALA 12 HB2 ALA 12 1.217 2.385 3.618 99 3HB ALA 12 HB3 ALA 12 0.247 2.304 2.148 100 H LEU 13 HN LEU 13 -2.954 1.604 4.351 101 HA LEU 13 HA LEU 13 -2.143 0.913 7.088 102 1HB LEU 13 HB1 LEU 13 -4.683 2.203 6.161 103 2HB LEU 13 HB2 LEU 13 -4.678 1.202 7.598 104 HG LEU 13 HG LEU 13 -4.470 3.457 8.298 105 1HD1 LEU 13 HD11 LEU 13 -1.617 2.814 8.541 106 2HD1 LEU 13 HD12 LEU 13 -2.729 1.544 9.056 107 3HD1 LEU 13 HD13 LEU 13 -2.818 3.146 9.789 108 1HD2 LEU 13 HD21 LEU 13 -3.502 4.104 5.955 109 2HD2 LEU 13 HD22 LEU 13 -1.962 3.947 6.798 110 3HD2 LEU 13 HD23 LEU 13 -3.174 5.087 7.381 111 H TYR 14 HN TYR 14 -4.059 -0.644 7.972 112 HA TYR 14 HA TYR 14 -4.660 -2.642 5.898 113 1HB TYR 14 HB2 TYR 14 -3.949 -4.435 7.482 114 2HB TYR 14 HB1 TYR 14 -2.624 -3.422 6.920 115 HD1 TYR 14 HD1 TYR 14 -1.544 -1.828 8.443 116 HD2 TYR 14 HD2 TYR 14 -4.616 -4.443 9.796 117 HE1 TYR 14 HE1 TYR 14 -0.897 -1.373 10.772 118 HE2 TYR 14 HE2 TYR 14 -3.978 -3.996 12.128 119 HH TYR 14 HH TYR 14 -2.304 -1.514 13.134 120 H SER 15 HN SER 15 -6.539 -3.790 6.188 121 HA SER 15 HA SER 15 -7.976 -3.730 8.689 122 1HB SER 15 HB1 SER 15 -8.565 -1.544 7.576 123 2HB SER 15 HB2 SER 15 -9.303 -2.478 6.277 124 HG SER 15 HG SER 15 -10.881 -3.105 7.599 125 H ARG 16 HN ARG 16 -10.442 -4.559 7.927 126 HA ARG 16 HA ARG 16 -9.913 -7.226 7.006 127 1HB ARG 16 HB1 ARG 16 -12.246 -7.660 7.440 128 2HB ARG 16 HB2 ARG 16 -11.583 -6.725 8.774 129 1HG ARG 16 HG2 ARG 16 -12.825 -5.168 6.604 130 2HG ARG 16 HG1 ARG 16 -13.914 -6.167 7.568 131 1HD ARG 16 HD1 ARG 16 -12.432 -5.048 9.522 132 2HD ARG 16 HD2 ARG 16 -12.380 -3.763 8.316 133 HE ARG 16 HE ARG 16 -14.822 -4.844 9.554 134 1HH1 ARG 16 HH11 ARG 16 -13.145 -2.352 7.788 135 2HH1 ARG 16 HH12 ARG 16 -14.461 -1.231 7.868 136 1HH2 ARG 16 HH21 ARG 16 -16.560 -3.372 9.664 137 2HH2 ARG 16 HH22 ARG 16 -16.401 -1.810 8.934 138 H GLU 17 HN GLU 17 -10.675 -8.224 5.144 139 HA GLU 17 HA GLU 17 -10.569 -6.771 2.771 140 1HB GLU 17 HB1 GLU 17 -10.368 -9.338 3.244 141 2HB GLU 17 HB2 GLU 17 -12.097 -9.345 2.931 142 1HG GLU 17 HG2 GLU 17 -11.042 -7.891 0.826 143 2HG GLU 17 HG1 GLU 17 -9.878 -9.192 1.083 144 H GLY 18 HN GLY 18 -11.937 -5.175 2.260 145 1HA GLY 18 HA2 GLY 18 -14.317 -5.250 1.188 146 2HA GLY 18 HA1 GLY 18 -14.792 -5.500 2.860 147 H ALA 19 HN ALA 19 -12.238 -3.620 3.260 148 HA ALA 19 HA ALA 19 -13.798 -1.274 3.727 149 1HB ALA 19 HB1 ALA 19 -11.777 -2.086 5.056 150 2HB ALA 19 HB2 ALA 19 -11.887 -0.358 4.720 151 3HB ALA 19 HB3 ALA 19 -10.800 -1.373 3.772 152 H LYS 20 HN LYS 20 -14.376 0.148 2.233 153 HA LYS 20 HA LYS 20 -12.870 0.351 -0.258 154 1HB LYS 20 HB2 LYS 20 -15.424 1.774 0.513 155 2HB LYS 20 HB1 LYS 20 -14.743 1.621 -1.101 156 1HG LYS 20 HG1 LYS 20 -16.121 -0.106 -1.346 157 2HG LYS 20 HG2 LYS 20 -15.003 -0.992 -0.307 158 1HD LYS 20 HD1 LYS 20 -16.307 -0.327 1.657 159 2HD LYS 20 HD2 LYS 20 -17.426 0.553 0.613 160 1HE LYS 20 HE1 LYS 20 -18.436 -1.333 -0.125 161 2HE LYS 20 HE2 LYS 20 -16.948 -2.277 -0.073 162 1HZ LYS 20 HZ1 LYS 20 -18.980 -1.925 1.954 163 2HZ LYS 20 HZ2 LYS 20 -17.391 -1.835 2.528 164 3HZ LYS 20 HZ3 LYS 20 -17.916 -3.214 1.700 165 H THR 21 HN THR 21 -13.901 2.382 2.449 166 HA THR 21 HA THR 21 -11.638 4.139 1.981 167 HB THR 21 HB THR 21 -13.646 5.987 2.476 168 HG1 THR 21 HG1 THR 21 -15.300 5.535 1.130 169 1HG2 THR 21 HG21 THR 21 -12.395 6.923 0.911 170 2HG2 THR 21 HG22 THR 21 -13.379 6.051 -0.265 171 3HG2 THR 21 HG23 THR 21 -11.857 5.359 0.298 172 H ARG 22 HN ARG 22 -10.675 4.083 3.936 173 HA ARG 22 HA ARG 22 -12.357 3.915 6.318 174 1HB ARG 22 HB1 ARG 22 -9.809 2.876 5.624 175 2HB ARG 22 HB2 ARG 22 -9.573 3.989 6.963 176 1HG ARG 22 HG2 ARG 22 -11.772 1.997 7.148 177 2HG ARG 22 HG1 ARG 22 -10.107 1.451 7.368 178 1HD ARG 22 HD1 ARG 22 -10.726 1.975 9.527 179 2HD ARG 22 HD2 ARG 22 -9.938 3.462 9.001 180 HE ARG 22 HE ARG 22 -12.057 4.494 8.835 181 1HH1 ARG 22 HH11 ARG 22 -12.204 1.244 10.084 182 2HH1 ARG 22 HH12 ARG 22 -13.790 1.435 10.754 183 1HH2 ARG 22 HH22 ARG 22 -14.145 4.754 9.714 184 2HH2 ARG 22 HH21 ARG 22 -14.893 3.430 10.544 185 H LYS 23 HN LYS 23 -10.320 5.162 8.035 186 HA LYS 23 HA LYS 23 -10.219 7.921 7.121 187 1HB LYS 23 HB1 LYS 23 -12.430 7.776 8.142 188 2HB LYS 23 HB2 LYS 23 -11.737 7.082 9.601 189 1HG LYS 23 HG2 LYS 23 -10.577 9.146 10.077 190 2HG LYS 23 HG1 LYS 23 -11.150 9.846 8.563 191 1HD LYS 23 HD2 LYS 23 -13.455 8.957 9.836 192 2HD LYS 23 HD1 LYS 23 -12.476 9.652 11.129 193 1HE LYS 23 HE2 LYS 23 -12.598 11.228 8.646 194 2HE LYS 23 HE1 LYS 23 -14.120 11.081 9.524 195 1HZ LYS 23 HZ1 LYS 23 -12.687 11.734 11.546 196 2HZ LYS 23 HZ2 LYS 23 -13.167 12.940 10.462 197 3HZ LYS 23 HZ3 LYS 23 -11.595 12.319 10.394 198 H CYS 24 HN CYS 24 -8.709 9.177 8.182 199 HA CYS 24 HA CYS 24 -6.811 7.672 9.824 200 1HB CYS 24 HB2 CYS 24 -6.524 9.590 7.730 201 2HB CYS 24 HB1 CYS 24 -5.841 10.280 9.198 202 HG CYS 24 HG CYS 24 -3.963 8.964 8.019 203 H VAL 25 HN VAL 25 -6.599 8.052 11.918 204 HA VAL 25 HA VAL 25 -8.351 9.812 13.281 205 HB VAL 25 HB VAL 25 -5.903 8.718 14.602 206 1HG1 VAL 25 HG11 VAL 25 -7.663 10.094 15.780 207 2HG1 VAL 25 HG12 VAL 25 -7.309 8.522 16.498 208 3HG1 VAL 25 HG13 VAL 25 -8.766 8.741 15.529 209 1HG2 VAL 25 HG21 VAL 25 -7.437 7.123 12.948 210 2HG2 VAL 25 HG22 VAL 25 -8.111 6.833 14.553 211 3HG2 VAL 25 HG23 VAL 25 -6.393 6.568 14.258 212 H CYS 26 HN CYS 26 -5.323 10.257 11.814 213 HA CYS 26 HA CYS 26 -4.305 12.344 13.460 214 1HB CYS 26 HB2 CYS 26 -3.247 10.859 11.460 215 2HB CYS 26 HB1 CYS 26 -3.602 12.343 10.581 216 HG CYS 26 HG CYS 26 -1.165 12.377 11.623 217 H GLY 27 HN GLY 27 -6.754 12.181 11.059 218 1HA GLY 27 HA1 GLY 27 -8.315 14.112 11.136 219 2HA GLY 27 HA2 GLY 27 -6.892 15.134 11.003 220 H ARG 28 HN ARG 28 -8.187 12.295 9.261 221 HA ARG 28 HA ARG 28 -8.636 13.716 6.849 222 1HB ARG 28 HB1 ARG 28 -6.754 12.023 5.775 223 2HB ARG 28 HB2 ARG 28 -6.541 13.750 6.030 224 1HG ARG 28 HG2 ARG 28 -5.556 13.236 8.253 225 2HG ARG 28 HG1 ARG 28 -5.653 11.522 7.846 226 1HD ARG 28 HD2 ARG 28 -3.420 12.566 7.436 227 2HD ARG 28 HD1 ARG 28 -4.139 11.788 6.026 228 HE ARG 28 HE ARG 28 -4.664 13.974 5.169 229 1HH1 ARG 28 HH11 ARG 28 -2.527 13.902 7.919 230 2HH1 ARG 28 HH12 ARG 28 -1.867 15.474 7.612 231 1HH2 ARG 28 HH22 ARG 28 -3.802 16.045 4.756 232 2HH2 ARG 28 HH21 ARG 28 -2.592 16.691 5.814 233 H THR 29 HN THR 29 -8.325 11.733 4.977 234 HA THR 29 HA THR 29 -9.767 9.401 6.028 235 HB THR 29 HB THR 29 -10.596 11.045 3.623 236 HG1 THR 29 HG1 THR 29 -12.399 10.505 5.625 237 1HG2 THR 29 HG21 THR 29 -11.455 9.154 2.832 238 2HG2 THR 29 HG22 THR 29 -12.646 9.323 4.121 239 3HG2 THR 29 HG23 THR 29 -11.229 8.301 4.359 240 H VAL 30 HN VAL 30 -9.152 7.501 5.138 241 HA VAL 30 HA VAL 30 -7.011 7.629 3.141 242 HB VAL 30 HB VAL 30 -6.277 6.454 5.035 243 1HG1 VAL 30 HG11 VAL 30 -8.072 5.974 6.350 244 2HG1 VAL 30 HG12 VAL 30 -7.686 4.365 5.740 245 3HG1 VAL 30 HG13 VAL 30 -9.001 5.291 5.016 246 1HG2 VAL 30 HG21 VAL 30 -5.365 4.804 3.864 247 2HG2 VAL 30 HG22 VAL 30 -6.517 5.151 2.574 248 3HG2 VAL 30 HG23 VAL 30 -6.901 3.941 3.799 249 H ASN 31 HN ASN 31 -7.406 7.124 1.123 250 HA ASN 31 HA ASN 31 -9.824 5.622 0.440 251 1HB ASN 31 HB2 ASN 31 -8.884 7.897 -0.657 252 2HB ASN 31 HB1 ASN 31 -8.093 6.722 -1.703 253 1HD2 ASN 31 HD22 ASN 31 -10.090 4.744 -1.660 254 2HD2 ASN 31 HD21 ASN 31 -11.456 5.343 -2.531 255 H VAL 32 HN VAL 32 -9.682 3.515 0.017 256 HA VAL 32 HA VAL 32 -7.196 2.159 -0.101 257 HB VAL 32 HB VAL 32 -8.378 0.158 -0.329 258 1HG1 VAL 32 HG11 VAL 32 -10.642 0.944 1.054 259 2HG1 VAL 32 HG12 VAL 32 -9.460 2.202 1.420 260 3HG1 VAL 32 HG13 VAL 32 -9.083 0.511 1.754 261 1HG2 VAL 32 HG21 VAL 32 -9.716 1.048 -2.338 262 2HG2 VAL 32 HG22 VAL 32 -10.920 1.518 -1.140 263 3HG2 VAL 32 HG23 VAL 32 -10.460 -0.176 -1.307 264 H LYS 33 HN LYS 33 -7.446 0.306 -2.144 265 HA LYS 33 HA LYS 33 -6.218 1.612 -4.280 266 1HB LYS 33 HB2 LYS 33 -6.754 -1.027 -3.569 267 2HB LYS 33 HB1 LYS 33 -7.576 -0.819 -5.109 268 1HG LYS 33 HG1 LYS 33 -5.369 0.166 -5.945 269 2HG LYS 33 HG2 LYS 33 -4.659 -0.537 -4.490 270 1HD LYS 33 HD2 LYS 33 -4.343 -2.233 -6.018 271 2HD LYS 33 HD1 LYS 33 -5.878 -2.704 -5.285 272 1HE LYS 33 HE1 LYS 33 -7.044 -2.333 -7.176 273 2HE LYS 33 HE2 LYS 33 -6.099 -0.905 -7.599 274 1HZ LYS 33 HZ1 LYS 33 -5.896 -2.945 -9.084 275 2HZ LYS 33 HZ2 LYS 33 -4.968 -3.623 -7.844 276 3HZ LYS 33 HZ3 LYS 33 -4.459 -2.197 -8.598 277 H ASP 34 HN ASP 34 -7.187 1.100 -6.642 278 HA ASP 34 HA ASP 34 -9.578 2.746 -6.786 279 1HB ASP 34 HB2 ASP 34 -7.587 1.761 -8.823 280 2HB ASP 34 HB1 ASP 34 -9.095 2.529 -9.310 281 H ARG 35 HN ARG 35 -8.477 -0.440 -7.883 282 HA ARG 35 HA ARG 35 -11.171 -1.174 -8.688 283 1HB ARG 35 HB2 ARG 35 -9.073 -1.873 -9.942 284 2HB ARG 35 HB1 ARG 35 -8.739 -2.961 -8.601 285 1HG ARG 35 HG2 ARG 35 -11.008 -3.979 -9.020 286 2HG ARG 35 HG1 ARG 35 -11.053 -3.041 -10.516 287 1HD ARG 35 HD1 ARG 35 -8.539 -4.358 -10.361 288 2HD ARG 35 HD2 ARG 35 -9.802 -5.543 -10.028 289 HE ARG 35 HE ARG 35 -10.183 -3.849 -12.360 290 1HH1 ARG 35 HH12 ARG 35 -9.164 -6.925 -11.075 291 2HH1 ARG 35 HH11 ARG 35 -9.308 -7.750 -12.591 292 1HH2 ARG 35 HH21 ARG 35 -10.375 -4.929 -14.360 293 2HH2 ARG 35 HH22 ARG 35 -9.996 -6.616 -14.458 294 H ARG 36 HN ARG 36 -9.353 -3.718 -7.297 295 HA ARG 36 HA ARG 36 -11.356 -4.142 -5.281 296 1HB ARG 36 HB2 ARG 36 -8.754 -5.642 -5.544 297 2HB ARG 36 HB1 ARG 36 -10.265 -6.205 -4.841 298 1HG ARG 36 HG2 ARG 36 -10.867 -5.517 -7.487 299 2HG ARG 36 HG1 ARG 36 -9.333 -6.389 -7.545 300 1HD ARG 36 HD1 ARG 36 -10.478 -8.285 -7.375 301 2HD ARG 36 HD2 ARG 36 -10.928 -7.805 -5.739 302 HE ARG 36 HE ARG 36 -12.545 -7.295 -8.149 303 1HH1 ARG 36 HH21 ARG 36 -12.244 -7.766 -4.709 304 2HH1 ARG 36 HH22 ARG 36 -13.952 -7.751 -4.427 305 1HH2 ARG 36 HH12 ARG 36 -14.795 -7.274 -7.787 306 2HH2 ARG 36 HH11 ARG 36 -15.402 -7.471 -6.177 307 H ILE 37 HN ILE 37 -7.989 -4.678 -4.525 308 HA ILE 37 HA ILE 37 -7.802 -2.415 -2.731 309 HB ILE 37 HB ILE 37 -8.657 -5.019 -1.780 310 1HG1 ILE 37 HG12 ILE 37 -9.562 -2.674 -1.299 311 2HG1 ILE 37 HG11 ILE 37 -9.438 -3.778 0.066 312 1HG2 ILE 37 HG21 ILE 37 -6.192 -5.246 -1.399 313 2HG2 ILE 37 HG22 ILE 37 -7.185 -5.350 0.054 314 3HG2 ILE 37 HG23 ILE 37 -6.300 -3.866 -0.303 315 1HD1 ILE 37 HD11 ILE 37 -7.205 -2.667 0.552 316 2HD1 ILE 37 HD12 ILE 37 -8.665 -1.728 0.863 317 3HD1 ILE 37 HD13 ILE 37 -7.711 -1.422 -0.590 318 H PHE 38 HN PHE 38 -5.682 -2.149 -1.851 319 HA PHE 38 HA PHE 38 -3.625 -3.438 -3.474 320 1HB PHE 38 HB1 PHE 38 -3.904 -0.847 -2.858 321 2HB PHE 38 HB2 PHE 38 -2.933 -1.343 -1.475 322 HD1 PHE 38 HD1 PHE 38 -0.690 -2.342 -1.847 323 HD2 PHE 38 HD2 PHE 38 -2.950 -0.599 -5.003 324 HE1 PHE 38 HE1 PHE 38 1.350 -2.183 -3.213 325 HE2 PHE 38 HE2 PHE 38 -0.916 -0.436 -6.375 326 HZ PHE 38 HZ PHE 38 1.238 -1.229 -5.482 327 H GLY 39 HN GLY 39 -1.749 -4.380 -2.504 328 1HA GLY 39 HA1 GLY 39 -0.814 -5.936 -1.088 329 2HA GLY 39 HA2 GLY 39 -1.150 -4.724 0.138 330 H ARG 40 HN ARG 40 -2.229 -7.692 -1.341 331 HA ARG 40 HA ARG 40 -4.470 -7.902 0.518 332 1HB ARG 40 HB1 ARG 40 -4.308 -8.667 -2.057 333 2HB ARG 40 HB2 ARG 40 -3.793 -10.158 -1.282 334 1HG ARG 40 HG1 ARG 40 -6.291 -8.764 -0.410 335 2HG ARG 40 HG2 ARG 40 -6.286 -9.837 -1.812 336 1HD ARG 40 HD2 ARG 40 -5.092 -11.482 -0.159 337 2HD ARG 40 HD1 ARG 40 -5.850 -10.471 1.071 338 HE ARG 40 HE ARG 40 -7.874 -11.389 0.529 339 1HH1 ARG 40 HH12 ARG 40 -5.588 -12.107 -2.001 340 2HH1 ARG 40 HH11 ARG 40 -6.653 -13.192 -2.831 341 1HH2 ARG 40 HH21 ARG 40 -9.282 -12.816 -0.557 342 2HH2 ARG 40 HH22 ARG 40 -8.752 -13.595 -2.011 343 H ALA 41 HN ALA 41 -3.423 -8.153 2.466 344 HA ALA 41 HA ALA 41 -1.518 -10.337 2.769 345 1HB ALA 41 HB1 ALA 41 -0.827 -8.343 3.819 346 2HB ALA 41 HB2 ALA 41 -1.345 -9.421 5.118 347 3HB ALA 41 HB3 ALA 41 -2.400 -8.107 4.584 348 H ASP 42 HN ASP 42 -2.248 -12.302 3.220 349 HA ASP 42 HA ASP 42 -4.885 -12.704 4.326 350 1HB ASP 42 HB2 ASP 42 -3.042 -14.238 2.788 351 2HB ASP 42 HB1 ASP 42 -3.381 -15.133 4.265 352 H ASP 43 HN ASP 43 -1.555 -12.893 5.391 353 HA ASP 43 HA ASP 43 -2.290 -14.021 7.969 354 1HB ASP 43 HB2 ASP 43 0.389 -13.087 6.923 355 2HB ASP 43 HB1 ASP 43 0.126 -13.922 8.450 356 H PHE 44 HN PHE 44 -2.544 -12.890 9.816 357 HA PHE 44 HA PHE 44 -3.013 -10.143 9.777 358 1HB PHE 44 HB1 PHE 44 -3.286 -10.264 12.127 359 2HB PHE 44 HB2 PHE 44 -3.799 -11.830 11.511 360 HD1 PHE 44 HD1 PHE 44 -2.144 -13.758 11.628 361 HD2 PHE 44 HD2 PHE 44 -1.636 -10.109 13.759 362 HE1 PHE 44 HE1 PHE 44 -0.576 -14.875 13.161 363 HE2 PHE 44 HE2 PHE 44 -0.068 -11.219 15.296 364 HZ PHE 44 HZ PHE 44 0.463 -13.606 14.998 365 H GLU 45 HN GLU 45 -0.111 -11.951 10.652 366 HA GLU 45 HA GLU 45 1.390 -9.707 11.535 367 1HB GLU 45 HB2 GLU 45 1.740 -12.417 11.628 368 2HB GLU 45 HB1 GLU 45 2.896 -11.963 10.385 369 1HG GLU 45 HG2 GLU 45 3.941 -10.384 11.921 370 2HG GLU 45 HG1 GLU 45 2.774 -10.822 13.168 371 H GLU 46 HN GLU 46 0.974 -11.316 8.436 372 HA GLU 46 HA GLU 46 3.028 -9.935 7.062 373 1HB GLU 46 HB2 GLU 46 1.911 -12.079 6.332 374 2HB GLU 46 HB1 GLU 46 0.523 -11.111 5.852 375 1HG GLU 46 HG2 GLU 46 1.820 -9.946 4.215 376 2HG GLU 46 HG1 GLU 46 3.303 -10.717 4.775 377 H ALA 47 HN ALA 47 -0.185 -9.079 7.976 378 HA ALA 47 HA ALA 47 -0.815 -7.160 6.041 379 1HB ALA 47 HB1 ALA 47 -2.319 -6.205 7.751 380 2HB ALA 47 HB2 ALA 47 -1.576 -7.254 8.958 381 3HB ALA 47 HB3 ALA 47 -2.470 -7.956 7.609 382 H SER 48 HN SER 48 0.592 -6.630 9.277 383 HA SER 48 HA SER 48 1.113 -3.903 8.958 384 1HB SER 48 HB1 SER 48 1.232 -5.475 11.070 385 2HB SER 48 HB2 SER 48 2.934 -5.600 10.623 386 HG SER 48 HG SER 48 1.468 -3.280 11.304 387 H GLU 49 HN GLU 49 2.955 -6.728 8.005 388 HA GLU 49 HA GLU 49 5.383 -5.363 7.443 389 1HB GLU 49 HB2 GLU 49 4.356 -8.055 7.235 390 2HB GLU 49 HB1 GLU 49 5.254 -7.628 5.785 391 1HG GLU 49 HG1 GLU 49 6.526 -6.929 8.349 392 2HG GLU 49 HG2 GLU 49 6.378 -8.650 7.992 393 H LEU 50 HN LEU 50 2.561 -6.216 5.499 394 HA LEU 50 HA LEU 50 3.633 -5.416 3.005 395 1HB LEU 50 HB1 LEU 50 1.174 -6.464 4.011 396 2HB LEU 50 HB2 LEU 50 0.810 -5.071 3.013 397 HG LEU 50 HG LEU 50 2.403 -7.487 2.147 398 1HD1 LEU 50 HD11 LEU 50 0.536 -8.343 1.208 399 2HD1 LEU 50 HD12 LEU 50 -0.150 -6.757 0.859 400 3HD1 LEU 50 HD13 LEU 50 -0.255 -7.425 2.488 401 1HD2 LEU 50 HD21 LEU 50 2.576 -6.524 0.019 402 2HD2 LEU 50 HD22 LEU 50 2.997 -5.226 1.137 403 3HD2 LEU 50 HD23 LEU 50 1.397 -5.267 0.396 404 H VAL 51 HN VAL 51 1.814 -3.758 5.507 405 HA VAL 51 HA VAL 51 1.279 -1.374 4.133 406 HB VAL 51 HB VAL 51 1.592 -1.956 7.072 407 1HG1 VAL 51 HG21 VAL 51 1.694 0.226 7.467 408 2HG1 VAL 51 HG22 VAL 51 0.079 0.373 6.775 409 3HG1 VAL 51 HG23 VAL 51 1.501 0.599 5.755 410 1HG2 VAL 51 HG11 VAL 51 -1.017 -1.229 6.530 411 2HG2 VAL 51 HG12 VAL 51 -0.415 -2.872 6.752 412 3HG2 VAL 51 HG13 VAL 51 -0.551 -2.195 5.129 413 H ARG 52 HN ARG 52 4.000 -2.299 6.232 414 HA ARG 52 HA ARG 52 5.304 0.192 6.207 415 1HB ARG 52 HB1 ARG 52 5.769 -1.845 7.700 416 2HB ARG 52 HB2 ARG 52 6.731 -2.459 6.363 417 1HG ARG 52 HG1 ARG 52 7.598 0.167 6.753 418 2HG ARG 52 HG2 ARG 52 7.414 -0.520 8.368 419 1HD ARG 52 HD2 ARG 52 8.877 -2.325 7.853 420 2HD ARG 52 HD1 ARG 52 8.893 -1.903 6.142 421 HE ARG 52 HE ARG 52 10.066 0.184 6.864 422 1HH1 ARG 52 HH12 ARG 52 10.194 -2.709 8.802 423 2HH1 ARG 52 HH11 ARG 52 11.706 -2.302 9.541 424 1HH2 ARG 52 HH21 ARG 52 12.058 0.728 7.833 425 2HH2 ARG 52 HH22 ARG 52 12.766 -0.349 8.991 426 H LYS 53 HN LYS 53 5.491 -2.591 4.047 427 HA LYS 53 HA LYS 53 7.579 -1.548 2.411 428 1HB LYS 53 HB2 LYS 53 6.474 -3.981 2.600 429 2HB LYS 53 HB1 LYS 53 5.530 -3.370 1.248 430 1HG LYS 53 HG1 LYS 53 7.472 -3.051 -0.076 431 2HG LYS 53 HG2 LYS 53 8.536 -3.331 1.304 432 1HD LYS 53 HD1 LYS 53 7.202 -5.641 1.337 433 2HD LYS 53 HD2 LYS 53 7.054 -5.266 -0.382 434 1HE LYS 53 HE1 LYS 53 9.066 -6.217 -0.589 435 2HE LYS 53 HE2 LYS 53 9.692 -4.727 0.115 436 1HZ LYS 53 HZ1 LYS 53 10.311 -5.804 1.937 437 2HZ LYS 53 HZ2 LYS 53 9.977 -7.252 1.130 438 3HZ LYS 53 HZ3 LYS 53 8.801 -6.546 2.119 439 H LEU 54 HN LEU 54 4.100 -1.281 2.513 440 HA LEU 54 HA LEU 54 3.750 -0.030 -0.019 441 1HB LEU 54 HB1 LEU 54 2.117 -0.828 2.200 442 2HB LEU 54 HB2 LEU 54 1.726 0.824 1.768 443 HG LEU 54 HG LEU 54 0.279 -0.832 0.647 444 1HD1 LEU 54 HD11 LEU 54 0.156 0.953 -0.696 445 2HD1 LEU 54 HD12 LEU 54 1.159 -0.002 -1.790 446 3HD1 LEU 54 HD13 LEU 54 1.905 1.182 -0.716 447 1HD2 LEU 54 HD21 LEU 54 1.882 -1.798 -1.409 448 2HD2 LEU 54 HD22 LEU 54 1.192 -2.722 -0.074 449 3HD2 LEU 54 HD23 LEU 54 2.821 -2.061 0.061 450 H GLN 55 HN GLN 55 4.839 1.041 3.062 451 HA GLN 55 HA GLN 55 4.184 3.786 2.854 452 1HB GLN 55 HB1 GLN 55 5.952 2.123 4.551 453 2HB GLN 55 HB2 GLN 55 6.367 3.828 4.438 454 1HG GLN 55 HG2 GLN 55 3.650 2.798 5.212 455 2HG GLN 55 HG1 GLN 55 4.909 3.250 6.361 456 1HE2 GLN 55 HE22 GLN 55 5.695 5.473 6.254 457 2HE2 GLN 55 HE21 GLN 55 4.589 6.726 5.817 458 H GLU 56 HN GLU 56 6.536 5.167 3.253 459 HA GLU 56 HA GLU 56 7.521 5.359 0.554 460 1HB GLU 56 HB1 GLU 56 7.301 7.093 2.775 461 2HB GLU 56 HB2 GLU 56 9.015 6.975 2.402 462 1HG GLU 56 HG1 GLU 56 8.170 8.812 1.184 463 2HG GLU 56 HG2 GLU 56 8.437 7.511 0.024 464 H GLU 57 HN GLU 57 8.273 2.937 1.125 465 HA GLU 57 HA GLU 57 10.825 2.765 2.431 466 1HB GLU 57 HB1 GLU 57 8.903 0.948 1.977 467 2HB GLU 57 HB2 GLU 57 9.931 0.610 0.592 468 1HG GLU 57 HG1 GLU 57 11.667 0.791 2.767 469 2HG GLU 57 HG2 GLU 57 10.273 -0.115 3.352 470 H LYS 58 HN LYS 58 12.803 2.105 1.402 471 HA LYS 58 HA LYS 58 13.282 3.542 -1.031 472 1HB LYS 58 HB1 LYS 58 15.185 1.766 0.502 473 2HB LYS 58 HB2 LYS 58 15.613 2.987 -0.687 474 1HG LYS 58 HG2 LYS 58 14.034 3.963 1.591 475 2HG LYS 58 HG1 LYS 58 15.651 3.374 1.983 476 1HD LYS 58 HD1 LYS 58 16.404 4.836 -0.019 477 2HD LYS 58 HD2 LYS 58 14.845 5.635 0.193 478 1HE LYS 58 HE1 LYS 58 16.118 5.334 2.737 479 2HE LYS 58 HE2 LYS 58 17.238 6.093 1.608 480 1HZ LYS 58 HZ1 LYS 58 14.713 7.093 2.672 481 2HZ LYS 58 HZ2 LYS 58 15.079 7.493 1.070 482 3HZ LYS 58 HZ3 LYS 58 16.142 7.924 2.314 483 H TYR 59 HN TYR 59 13.488 2.762 -3.049 484 HA TYR 59 HA TYR 59 12.907 -0.059 -3.477 485 1HB TYR 59 HB2 TYR 59 12.324 2.346 -4.867 486 2HB TYR 59 HB1 TYR 59 13.327 1.363 -5.929 487 HD1 TYR 59 HD1 TYR 59 10.224 1.286 -3.887 488 HD2 TYR 59 HD2 TYR 59 12.408 -0.449 -7.101 489 HE1 TYR 59 HE1 TYR 59 8.256 -0.059 -4.492 490 HE2 TYR 59 HE2 TYR 59 10.446 -1.799 -7.714 491 HH TYR 59 HH TYR 59 7.371 -1.189 -6.592 492 H GLY 60 HN GLY 60 15.078 2.107 -5.283 493 1HA GLY 60 HA2 GLY 60 17.553 1.464 -4.819 494 2HA GLY 60 HA1 GLY 60 17.015 -0.096 -5.423 495 H SER 61 HN SER 61 15.188 1.133 -7.377 496 HA SER 61 HA SER 61 17.174 1.616 -9.444 497 1HB SER 61 HB2 SER 61 15.203 0.036 -9.725 498 2HB SER 61 HB1 SER 61 14.176 1.467 -9.793 499 HG SER 61 HG SER 61 15.250 2.126 -11.634 500 H CYS 62 HN CYS 62 15.971 3.565 -7.259 501 HA CYS 62 HA CYS 62 14.884 5.701 -8.824 502 1HB CYS 62 HB2 CYS 62 15.942 5.660 -5.990 503 2HB CYS 62 HB1 CYS 62 15.078 7.009 -6.721 504 HG CYS 62 HG CYS 62 12.922 5.834 -6.412 505 H HIS 63 HN HIS 63 16.066 7.976 -8.038 506 HA HIS 63 HA HIS 63 18.316 8.159 -9.731 507 1HB HIS 63 HB2 HIS 63 16.837 9.984 -7.920 508 2HB HIS 63 HB1 HIS 63 18.496 10.439 -8.294 509 HD2 HIS 63 HD2 HIS 63 18.870 10.242 -11.310 510 HE1 HIS 63 HE1 HIS 63 14.989 11.868 -11.772 511 HE2 HIS 63 HE2 HIS 63 17.195 11.389 -12.928 512 H PHE 64 HN PHE 64 17.972 7.799 -6.255 513 HA PHE 64 HA PHE 64 20.640 8.373 -5.550 514 1HB PHE 64 HB1 PHE 64 18.292 7.714 -4.197 515 2HB PHE 64 HB2 PHE 64 19.396 6.396 -3.821 516 HD1 PHE 64 HD1 PHE 64 20.657 6.634 -1.930 517 HD2 PHE 64 HD2 PHE 64 19.499 10.122 -4.076 518 HE1 PHE 64 HE1 PHE 64 21.762 8.037 -0.237 519 HE2 PHE 64 HE2 PHE 64 20.602 11.531 -2.387 520 HZ PHE 64 HZ PHE 64 21.734 10.490 -0.465 521 H THR 65 HN THR 65 22.405 7.305 -6.102 522 HA THR 65 HA THR 65 22.209 4.481 -6.846 523 HB THR 65 HB THR 65 23.284 6.057 -8.428 524 HG1 THR 65 HG1 THR 65 24.070 4.090 -8.743 525 1HG2 THR 65 HG21 THR 65 25.448 6.988 -8.010 526 2HG2 THR 65 HG22 THR 65 25.477 6.297 -6.389 527 3HG2 THR 65 HG23 THR 65 24.322 7.570 -6.784 528 H ASN 66 HN ASN 66 24.450 3.309 -6.334 529 HA ASN 66 HA ASN 66 24.586 3.229 -3.446 530 1HB ASN 66 HB2 ASN 66 25.611 1.509 -5.672 531 2HB ASN 66 HB1 ASN 66 26.316 1.349 -4.067 532 1HD2 ASN 66 HD22 ASN 66 24.612 1.202 -2.284 533 2HD2 ASN 66 HD21 ASN 66 23.295 0.129 -2.594 534 HA PRO 67 HA PRO 67 28.131 5.780 -2.820 535 1HB PRO 67 HB1 PRO 67 29.036 3.687 -0.914 536 2HB PRO 67 HB2 PRO 67 28.794 5.418 -0.655 537 1HG PRO 67 HG2 PRO 67 27.053 3.640 0.301 538 2HG PRO 67 HG1 PRO 67 26.502 5.187 -0.370 539 1HD PRO 67 HD2 PRO 67 26.430 2.457 -1.585 540 2HD PRO 67 HD1 PRO 67 25.241 3.771 -1.690 541 H SER 68 HN SER 68 28.750 2.281 -2.997 542 HA SER 68 HA SER 68 31.450 2.685 -3.935 543 1HB SER 68 HB2 SER 68 31.198 0.095 -4.308 544 2HB SER 68 HB1 SER 68 31.311 0.740 -2.670 545 HG SER 68 HG SER 68 29.203 0.374 -2.359 546 H LYS 69 HN LYS 69 28.327 2.356 -5.319 547 HA LYS 69 HA LYS 69 29.343 1.578 -7.932 548 1HB LYS 69 HB1 LYS 69 26.589 2.050 -6.814 549 2HB LYS 69 HB2 LYS 69 26.856 1.886 -8.544 550 1HG LYS 69 HG1 LYS 69 28.178 -0.289 -7.578 551 2HG LYS 69 HG2 LYS 69 26.835 -0.143 -6.441 552 1HD LYS 69 HD2 LYS 69 25.417 0.156 -8.620 553 2HD LYS 69 HD1 LYS 69 26.789 -0.651 -9.383 554 1HE LYS 69 HE2 LYS 69 25.229 -1.723 -7.036 555 2HE LYS 69 HE1 LYS 69 25.007 -2.220 -8.713 556 1HZ LYS 69 HZ1 LYS 69 26.635 -3.453 -7.000 557 2HZ LYS 69 HZ2 LYS 69 27.725 -2.380 -7.722 558 3HZ LYS 69 HZ3 LYS 69 26.853 -3.471 -8.677 559 H ARG 70 HN ARG 70 30.663 3.702 -7.692 560 HA ARG 70 HA ARG 70 29.205 6.117 -8.307 561 1HB ARG 70 HB1 ARG 70 31.991 5.398 -7.650 562 2HB ARG 70 HB2 ARG 70 31.813 6.756 -8.752 563 1HG ARG 70 HG2 ARG 70 29.968 7.087 -6.613 564 2HG ARG 70 HG1 ARG 70 31.557 6.724 -5.939 565 1HD ARG 70 HD1 ARG 70 32.553 8.551 -7.097 566 2HD ARG 70 HD2 ARG 70 31.095 8.817 -8.052 567 HE ARG 70 HE ARG 70 31.627 9.798 -5.425 568 1HH1 ARG 70 HH11 ARG 70 29.090 8.761 -7.577 569 2HH1 ARG 70 HH12 ARG 70 27.866 9.706 -6.795 570 1HH2 ARG 70 HH21 ARG 70 30.022 11.045 -4.392 571 2HH2 ARG 70 HH22 ARG 70 28.396 11.004 -4.986 572 H GLU 71 HN GLU 71 28.996 7.099 -10.252 573 HA GLU 71 HA GLU 71 29.672 5.511 -12.596 574 1HB GLU 71 HB1 GLU 71 28.113 8.097 -12.445 575 2HB GLU 71 HB2 GLU 71 28.190 6.992 -13.811 576 1HG GLU 71 HG2 GLU 71 27.276 5.764 -11.316 577 2HG GLU 71 HG1 GLU 71 26.223 7.035 -11.940 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -9.318 -13.571 6.321 2 2H MET 1 HT2 MET 1 -9.653 -12.037 7.014 3 3H MET 1 HT3 MET 1 -8.426 -13.031 7.684 4 HA MET 1 HA MET 1 -6.960 -12.588 6.081 5 1HB MET 1 HB2 MET 1 -7.646 -11.882 3.803 6 2HB MET 1 HB1 MET 1 -8.340 -13.428 4.272 7 1HG MET 1 HG1 MET 1 -10.099 -11.271 4.992 8 2HG MET 1 HG2 MET 1 -9.676 -11.191 3.282 9 1HE MET 1 HE1 MET 1 -12.575 -12.777 5.459 10 2HE MET 1 HE2 MET 1 -13.266 -12.759 3.835 11 3HE MET 1 HE3 MET 1 -12.357 -11.367 4.423 12 H TYR 2 HN TYR 2 -6.226 -10.501 4.943 13 HA TYR 2 HA TYR 2 -7.475 -8.138 6.152 14 1HB TYR 2 HB2 TYR 2 -4.584 -8.956 6.353 15 2HB TYR 2 HB1 TYR 2 -5.084 -7.280 6.538 16 HD1 TYR 2 HD1 TYR 2 -7.479 -7.382 8.121 17 HD2 TYR 2 HD2 TYR 2 -3.981 -9.788 8.422 18 HE1 TYR 2 HE1 TYR 2 -7.965 -7.782 10.498 19 HE2 TYR 2 HE2 TYR 2 -4.459 -10.194 10.800 20 HH TYR 2 HH TYR 2 -5.719 -9.075 12.642 21 H ILE 3 HN ILE 3 -6.807 -6.113 5.150 22 HA ILE 3 HA ILE 3 -5.887 -6.424 2.372 23 HB ILE 3 HB ILE 3 -7.483 -4.592 1.755 24 1HG1 ILE 3 HG11 ILE 3 -9.074 -5.257 4.198 25 2HG1 ILE 3 HG12 ILE 3 -7.773 -4.077 4.332 26 1HG2 ILE 3 HG21 ILE 3 -7.859 -7.154 1.548 27 2HG2 ILE 3 HG22 ILE 3 -9.202 -6.046 1.260 28 3HG2 ILE 3 HG23 ILE 3 -9.072 -6.893 2.804 29 1HD1 ILE 3 HD11 ILE 3 -10.051 -3.900 2.380 30 2HD1 ILE 3 HD12 ILE 3 -8.800 -2.689 2.663 31 3HD1 ILE 3 HD13 ILE 3 -9.972 -3.059 3.928 32 H ILE 4 HN ILE 4 -4.993 -4.439 1.439 33 HA ILE 4 HA ILE 4 -4.050 -2.536 3.482 34 HB ILE 4 HB ILE 4 -2.491 -3.952 1.354 35 1HG1 ILE 4 HG11 ILE 4 -0.825 -3.630 3.433 36 2HG1 ILE 4 HG12 ILE 4 -2.357 -3.491 4.289 37 1HG2 ILE 4 HG21 ILE 4 -1.496 -2.080 0.683 38 2HG2 ILE 4 HG22 ILE 4 -0.769 -2.002 2.291 39 3HG2 ILE 4 HG23 ILE 4 -2.264 -1.125 1.953 40 1HD1 ILE 4 HD11 ILE 4 -1.596 -5.758 4.372 41 2HD1 ILE 4 HD12 ILE 4 -1.436 -5.810 2.616 42 3HD1 ILE 4 HD13 ILE 4 -3.033 -5.668 3.352 43 H PHE 5 HN PHE 5 -3.801 -0.370 2.798 44 HA PHE 5 HA PHE 5 -4.805 0.320 0.138 45 1HB PHE 5 HB1 PHE 5 -6.096 2.184 1.683 46 2HB PHE 5 HB2 PHE 5 -6.840 0.751 0.989 47 HD1 PHE 5 HD1 PHE 5 -5.804 2.410 4.016 48 HD2 PHE 5 HD2 PHE 5 -7.179 -1.268 2.378 49 HE1 PHE 5 HE1 PHE 5 -6.409 1.637 6.268 50 HE2 PHE 5 HE2 PHE 5 -7.785 -2.047 4.631 51 HZ PHE 5 HZ PHE 5 -7.397 -0.589 6.577 52 H ARG 6 HN ARG 6 -5.033 3.075 0.484 53 HA ARG 6 HA ARG 6 -2.480 3.950 1.611 54 1HB ARG 6 HB2 ARG 6 -3.262 4.115 -1.285 55 2HB ARG 6 HB1 ARG 6 -2.155 5.289 -0.586 56 1HG ARG 6 HG2 ARG 6 -1.023 2.984 0.252 57 2HG ARG 6 HG1 ARG 6 -1.730 2.468 -1.282 58 1HD ARG 6 HD1 ARG 6 -0.355 5.046 -1.412 59 2HD ARG 6 HD2 ARG 6 0.697 3.697 -0.986 60 HE ARG 6 HE ARG 6 0.182 2.683 -3.066 61 1HH1 ARG 6 HH22 ARG 6 -1.187 5.864 -2.686 62 2HH1 ARG 6 HH21 ARG 6 -1.452 6.092 -4.382 63 1HH2 ARG 6 HH12 ARG 6 -0.165 2.975 -5.300 64 2HH2 ARG 6 HH11 ARG 6 -0.873 4.451 -5.868 65 H CYS 7 HN CYS 7 -2.798 5.718 2.783 66 HA CYS 7 HA CYS 7 -5.209 7.260 2.520 67 1HB CYS 7 HB2 CYS 7 -4.044 6.738 4.719 68 2HB CYS 7 HB1 CYS 7 -2.831 7.923 4.248 69 HG CYS 7 HG CYS 7 -5.371 8.594 5.578 70 H ASP 8 HN ASP 8 -5.219 9.584 2.190 71 HA ASP 8 HA ASP 8 -3.913 10.348 -0.126 72 1HB ASP 8 HB1 ASP 8 -5.050 12.210 1.973 73 2HB ASP 8 HB2 ASP 8 -4.801 12.579 0.268 74 H CYS 9 HN CYS 9 -2.747 10.389 3.087 75 HA CYS 9 HA CYS 9 -0.761 12.432 2.740 76 1HB CYS 9 HB2 CYS 9 -0.767 10.160 4.737 77 2HB CYS 9 HB1 CYS 9 0.128 11.672 4.855 78 HG CYS 9 HG CYS 9 -2.522 11.284 6.003 79 H GLY 10 HN GLY 10 -1.157 9.667 1.168 80 1HA GLY 10 HA2 GLY 10 0.275 8.548 -0.268 81 2HA GLY 10 HA1 GLY 10 1.616 9.459 0.412 82 H ARG 11 HN ARG 11 -0.234 8.126 2.854 83 HA ARG 11 HA ARG 11 1.856 6.160 3.386 84 1HB ARG 11 HB2 ARG 11 1.017 6.022 5.608 85 2HB ARG 11 HB1 ARG 11 1.052 7.722 5.171 86 1HG ARG 11 HG1 ARG 11 -1.349 7.656 4.731 87 2HG ARG 11 HG2 ARG 11 -1.381 5.954 5.193 88 1HD ARG 11 HD2 ARG 11 -0.935 8.371 6.898 89 2HD ARG 11 HD1 ARG 11 -2.060 7.034 7.132 90 HE ARG 11 HE ARG 11 0.115 5.699 7.494 91 1HH1 ARG 11 HH12 ARG 11 -0.401 9.018 8.430 92 2HH1 ARG 11 HH11 ARG 11 0.712 8.952 9.754 93 1HH2 ARG 11 HH22 ARG 11 1.581 5.606 9.237 94 2HH2 ARG 11 HH21 ARG 11 1.838 7.013 10.213 95 H ALA 12 HN ALA 12 0.381 4.331 4.917 96 HA ALA 12 HA ALA 12 -1.705 3.208 3.258 97 1HB ALA 12 HB1 ALA 12 0.927 2.469 2.720 98 2HB ALA 12 HB2 ALA 12 -0.540 1.658 2.172 99 3HB ALA 12 HB3 ALA 12 0.256 1.133 3.656 100 H LEU 13 HN LEU 13 -2.772 1.382 4.267 101 HA LEU 13 HA LEU 13 -1.977 0.770 7.007 102 1HB LEU 13 HB1 LEU 13 -4.504 2.174 6.242 103 2HB LEU 13 HB2 LEU 13 -4.497 1.089 7.619 104 HG LEU 13 HG LEU 13 -2.403 3.208 7.499 105 1HD1 LEU 13 HD21 LEU 13 -4.445 4.387 8.919 106 2HD1 LEU 13 HD22 LEU 13 -5.264 3.727 7.501 107 3HD1 LEU 13 HD23 LEU 13 -3.910 4.839 7.300 108 1HD2 LEU 13 HD11 LEU 13 -3.874 2.739 9.965 109 2HD2 LEU 13 HD12 LEU 13 -2.139 2.696 9.653 110 3HD2 LEU 13 HD13 LEU 13 -3.131 1.278 9.315 111 H TYR 14 HN TYR 14 -3.920 -0.753 7.926 112 HA TYR 14 HA TYR 14 -4.651 -2.677 5.827 113 1HB TYR 14 HB2 TYR 14 -3.838 -4.547 7.124 114 2HB TYR 14 HB1 TYR 14 -2.520 -3.409 6.875 115 HD1 TYR 14 HD1 TYR 14 -1.874 -1.870 8.775 116 HD2 TYR 14 HD2 TYR 14 -4.507 -5.172 9.292 117 HE1 TYR 14 HE1 TYR 14 -1.469 -1.806 11.199 118 HE2 TYR 14 HE2 TYR 14 -4.109 -5.118 11.717 119 HH TYR 14 HH TYR 14 -1.706 -3.857 13.160 120 H SER 15 HN SER 15 -6.525 -3.832 6.204 121 HA SER 15 HA SER 15 -7.863 -3.734 8.758 122 1HB SER 15 HB1 SER 15 -8.447 -1.544 7.623 123 2HB SER 15 HB2 SER 15 -9.278 -2.493 6.391 124 HG SER 15 HG SER 15 -10.071 -1.842 8.913 125 H ARG 16 HN ARG 16 -10.367 -4.533 8.099 126 HA ARG 16 HA ARG 16 -9.904 -7.209 7.170 127 1HB ARG 16 HB1 ARG 16 -12.108 -7.689 7.833 128 2HB ARG 16 HB2 ARG 16 -11.515 -6.529 9.014 129 1HG ARG 16 HG1 ARG 16 -13.089 -5.042 8.497 130 2HG ARG 16 HG2 ARG 16 -12.846 -5.261 6.762 131 1HD ARG 16 HD1 ARG 16 -15.017 -6.011 7.069 132 2HD ARG 16 HD2 ARG 16 -14.078 -7.502 7.107 133 HE ARG 16 HE ARG 16 -15.209 -6.141 9.460 134 1HH1 ARG 16 HH21 ARG 16 -13.906 -8.976 7.906 135 2HH1 ARG 16 HH22 ARG 16 -14.283 -10.030 9.227 136 1HH2 ARG 16 HH11 ARG 16 -15.708 -7.524 11.203 137 2HH2 ARG 16 HH12 ARG 16 -15.307 -9.206 11.101 138 H GLU 17 HN GLU 17 -10.767 -8.214 5.354 139 HA GLU 17 HA GLU 17 -10.726 -6.792 2.967 140 1HB GLU 17 HB1 GLU 17 -10.512 -9.320 3.365 141 2HB GLU 17 HB2 GLU 17 -12.270 -9.353 3.321 142 1HG GLU 17 HG1 GLU 17 -11.634 -7.941 1.057 143 2HG GLU 17 HG2 GLU 17 -10.346 -9.141 1.151 144 H GLY 18 HN GLY 18 -12.066 -5.168 2.471 145 1HA GLY 18 HA2 GLY 18 -14.480 -5.180 1.493 146 2HA GLY 18 HA1 GLY 18 -14.905 -5.404 3.183 147 H ALA 19 HN ALA 19 -12.270 -3.573 3.427 148 HA ALA 19 HA ALA 19 -13.776 -1.189 3.934 149 1HB ALA 19 HB1 ALA 19 -11.550 -0.220 4.515 150 2HB ALA 19 HB2 ALA 19 -10.827 -1.765 4.068 151 3HB ALA 19 HB3 ALA 19 -11.971 -1.683 5.407 152 H LYS 20 HN LYS 20 -14.432 0.106 2.360 153 HA LYS 20 HA LYS 20 -12.937 0.279 -0.131 154 1HB LYS 20 HB2 LYS 20 -15.600 1.403 0.744 155 2HB LYS 20 HB1 LYS 20 -14.876 1.755 -0.819 156 1HG LYS 20 HG2 LYS 20 -15.939 -0.035 -1.581 157 2HG LYS 20 HG1 LYS 20 -14.786 -1.003 -0.658 158 1HD LYS 20 HD1 LYS 20 -16.385 -0.695 1.315 159 2HD LYS 20 HD2 LYS 20 -17.560 -0.146 0.118 160 1HE LYS 20 HE1 LYS 20 -17.430 -2.248 -1.047 161 2HE LYS 20 HE2 LYS 20 -16.123 -2.793 0.003 162 1HZ LYS 20 HZ1 LYS 20 -17.588 -3.519 1.476 163 2HZ LYS 20 HZ2 LYS 20 -18.829 -3.170 0.381 164 3HZ LYS 20 HZ3 LYS 20 -18.376 -2.023 1.538 165 H THR 21 HN THR 21 -13.979 2.378 2.524 166 HA THR 21 HA THR 21 -11.773 4.180 1.903 167 HB THR 21 HB THR 21 -13.635 6.043 2.486 168 HG1 THR 21 HG1 THR 21 -15.560 5.539 1.563 169 1HG2 THR 21 HG21 THR 21 -13.382 5.031 -0.323 170 2HG2 THR 21 HG22 THR 21 -12.102 5.930 0.489 171 3HG2 THR 21 HG23 THR 21 -13.676 6.679 0.231 172 H ARG 22 HN ARG 22 -10.650 4.200 3.727 173 HA ARG 22 HA ARG 22 -11.980 3.928 6.297 174 1HB ARG 22 HB1 ARG 22 -9.447 3.219 5.279 175 2HB ARG 22 HB2 ARG 22 -9.154 4.451 6.500 176 1HG ARG 22 HG2 ARG 22 -10.908 2.886 7.814 177 2HG ARG 22 HG1 ARG 22 -10.114 1.687 6.789 178 1HD ARG 22 HD2 ARG 22 -8.088 1.955 7.805 179 2HD ARG 22 HD1 ARG 22 -8.399 3.641 8.223 180 HE ARG 22 HE ARG 22 -9.924 1.592 9.633 181 1HH1 ARG 22 HH22 ARG 22 -7.324 3.912 9.647 182 2HH1 ARG 22 HH21 ARG 22 -7.191 3.944 11.373 183 1HH2 ARG 22 HH12 ARG 22 -9.755 1.627 11.905 184 2HH2 ARG 22 HH11 ARG 22 -8.573 2.645 12.657 185 H LYS 23 HN LYS 23 -10.538 5.408 8.020 186 HA LYS 23 HA LYS 23 -10.371 8.141 7.061 187 1HB LYS 23 HB1 LYS 23 -12.799 7.616 7.715 188 2HB LYS 23 HB2 LYS 23 -12.213 7.546 9.371 189 1HG LYS 23 HG1 LYS 23 -11.714 9.810 9.426 190 2HG LYS 23 HG2 LYS 23 -11.671 9.941 7.666 191 1HD LYS 23 HD2 LYS 23 -13.760 10.709 7.780 192 2HD LYS 23 HD1 LYS 23 -14.245 9.070 8.222 193 1HE LYS 23 HE1 LYS 23 -13.797 9.679 10.610 194 2HE LYS 23 HE2 LYS 23 -13.562 11.343 10.076 195 1HZ LYS 23 HZ1 LYS 23 -15.764 11.338 10.669 196 2HZ LYS 23 HZ2 LYS 23 -16.032 9.752 10.146 197 3HZ LYS 23 HZ3 LYS 23 -15.886 11.002 9.016 198 H CYS 24 HN CYS 24 -9.011 9.383 8.242 199 HA CYS 24 HA CYS 24 -7.617 8.052 10.442 200 1HB CYS 24 HB2 CYS 24 -6.697 9.513 8.254 201 2HB CYS 24 HB1 CYS 24 -6.517 10.617 9.616 202 HG CYS 24 HG CYS 24 -5.089 8.623 10.759 203 H VAL 25 HN VAL 25 -7.971 8.626 12.470 204 HA VAL 25 HA VAL 25 -9.852 10.632 13.157 205 HB VAL 25 HB VAL 25 -7.951 9.574 15.198 206 1HG1 VAL 25 HG11 VAL 25 -9.575 10.869 16.195 207 2HG1 VAL 25 HG12 VAL 25 -10.290 9.262 16.315 208 3HG1 VAL 25 HG13 VAL 25 -10.823 10.372 15.053 209 1HG2 VAL 25 HG21 VAL 25 -8.280 7.447 14.649 210 2HG2 VAL 25 HG22 VAL 25 -9.366 7.908 13.337 211 3HG2 VAL 25 HG23 VAL 25 -10.000 7.672 14.966 212 H CYS 26 HN CYS 26 -6.507 10.715 12.548 213 HA CYS 26 HA CYS 26 -5.777 12.896 14.217 214 1HB CYS 26 HB2 CYS 26 -4.258 11.198 12.980 215 2HB CYS 26 HB1 CYS 26 -4.436 12.274 11.598 216 HG CYS 26 HG CYS 26 -3.501 13.980 13.789 217 H GLY 27 HN GLY 27 -7.077 12.634 10.957 218 1HA GLY 27 HA1 GLY 27 -8.547 14.745 10.605 219 2HA GLY 27 HA2 GLY 27 -6.990 15.557 10.675 220 H ARG 28 HN ARG 28 -8.290 12.651 9.057 221 HA ARG 28 HA ARG 28 -8.024 13.725 6.447 222 1HB ARG 28 HB1 ARG 28 -6.230 11.673 6.050 223 2HB ARG 28 HB2 ARG 28 -5.832 13.385 6.097 224 1HG ARG 28 HG1 ARG 28 -5.901 12.381 8.765 225 2HG ARG 28 HG2 ARG 28 -4.900 11.320 7.771 226 1HD ARG 28 HD2 ARG 28 -3.624 13.262 6.993 227 2HD ARG 28 HD1 ARG 28 -4.615 14.313 8.004 228 HE ARG 28 HE ARG 28 -3.390 12.238 9.522 229 1HH1 ARG 28 HH11 ARG 28 -2.790 15.327 8.023 230 2HH1 ARG 28 HH12 ARG 28 -1.506 15.748 9.107 231 1HH2 ARG 28 HH21 ARG 28 -1.701 12.786 10.953 232 2HH2 ARG 28 HH22 ARG 28 -0.887 14.303 10.771 233 H THR 29 HN THR 29 -7.780 11.584 4.872 234 HA THR 29 HA THR 29 -9.546 9.490 5.905 235 HB THR 29 HB THR 29 -10.039 10.971 3.312 236 HG1 THR 29 HG1 THR 29 -11.431 11.031 5.780 237 1HG2 THR 29 HG21 THR 29 -12.280 9.487 4.245 238 2HG2 THR 29 HG22 THR 29 -10.887 8.414 4.104 239 3HG2 THR 29 HG23 THR 29 -11.417 9.361 2.712 240 H VAL 30 HN VAL 30 -9.060 7.487 5.160 241 HA VAL 30 HA VAL 30 -6.783 7.286 3.337 242 HB VAL 30 HB VAL 30 -8.005 5.036 4.922 243 1HG1 VAL 30 HG21 VAL 30 -6.528 3.843 3.760 244 2HG1 VAL 30 HG22 VAL 30 -5.256 4.704 4.627 245 3HG1 VAL 30 HG23 VAL 30 -5.813 5.295 3.061 246 1HG2 VAL 30 HG11 VAL 30 -6.297 7.271 5.784 247 2HG2 VAL 30 HG12 VAL 30 -5.769 5.667 6.292 248 3HG2 VAL 30 HG13 VAL 30 -7.379 6.242 6.721 249 H ASN 31 HN ASN 31 -7.163 6.948 1.274 250 HA ASN 31 HA ASN 31 -9.659 5.645 0.452 251 1HB ASN 31 HB2 ASN 31 -8.751 7.919 -0.488 252 2HB ASN 31 HB1 ASN 31 -7.729 6.882 -1.479 253 1HD2 ASN 31 HD22 ASN 31 -10.780 8.274 -1.106 254 2HD2 ASN 31 HD21 ASN 31 -11.579 7.469 -2.409 255 H VAL 32 HN VAL 32 -9.577 3.515 0.084 256 HA VAL 32 HA VAL 32 -7.144 2.094 -0.222 257 HB VAL 32 HB VAL 32 -8.372 0.133 -0.383 258 1HG1 VAL 32 HG11 VAL 32 -9.014 0.483 1.716 259 2HG1 VAL 32 HG12 VAL 32 -10.584 0.955 1.065 260 3HG1 VAL 32 HG13 VAL 32 -9.362 2.183 1.402 261 1HG2 VAL 32 HG21 VAL 32 -9.723 0.798 -2.349 262 2HG2 VAL 32 HG22 VAL 32 -10.811 1.665 -1.265 263 3HG2 VAL 32 HG23 VAL 32 -10.641 -0.088 -1.130 264 H LYS 33 HN LYS 33 -7.445 0.319 -2.271 265 HA LYS 33 HA LYS 33 -6.386 1.694 -4.451 266 1HB LYS 33 HB2 LYS 33 -6.942 -1.003 -3.766 267 2HB LYS 33 HB1 LYS 33 -7.624 -0.721 -5.361 268 1HG LYS 33 HG1 LYS 33 -5.059 0.453 -5.341 269 2HG LYS 33 HG2 LYS 33 -4.910 -1.152 -4.622 270 1HD LYS 33 HD1 LYS 33 -5.807 -2.202 -6.541 271 2HD LYS 33 HD2 LYS 33 -6.369 -0.667 -7.208 272 1HE LYS 33 HE2 LYS 33 -4.396 -0.247 -8.161 273 2HE LYS 33 HE1 LYS 33 -3.510 -0.673 -6.697 274 1HZ LYS 33 HZ1 LYS 33 -2.922 -2.143 -8.502 275 2HZ LYS 33 HZ2 LYS 33 -4.541 -2.579 -8.728 276 3HZ LYS 33 HZ3 LYS 33 -3.739 -3.014 -7.303 277 H ASP 34 HN ASP 34 -7.483 1.132 -6.768 278 HA ASP 34 HA ASP 34 -9.929 2.708 -6.760 279 1HB ASP 34 HB2 ASP 34 -7.744 2.289 -8.594 280 2HB ASP 34 HB1 ASP 34 -9.275 1.965 -9.403 281 H ARG 35 HN ARG 35 -8.790 -0.459 -7.870 282 HA ARG 35 HA ARG 35 -11.479 -1.270 -8.594 283 1HB ARG 35 HB2 ARG 35 -8.892 -2.836 -8.568 284 2HB ARG 35 HB1 ARG 35 -10.421 -3.410 -9.219 285 1HG ARG 35 HG1 ARG 35 -10.315 -1.349 -10.743 286 2HG ARG 35 HG2 ARG 35 -8.617 -1.265 -10.272 287 1HD ARG 35 HD1 ARG 35 -8.835 -2.498 -12.340 288 2HD ARG 35 HD2 ARG 35 -8.309 -3.579 -11.050 289 HE ARG 35 HE ARG 35 -10.682 -4.314 -10.932 290 1HH1 ARG 35 HH22 ARG 35 -9.438 -2.860 -13.845 291 2HH1 ARG 35 HH21 ARG 35 -10.594 -3.635 -14.876 292 1HH2 ARG 35 HH11 ARG 35 -12.206 -5.337 -12.282 293 2HH2 ARG 35 HH12 ARG 35 -12.167 -5.043 -13.989 294 H ARG 36 HN ARG 36 -9.665 -3.793 -7.203 295 HA ARG 36 HA ARG 36 -11.612 -4.159 -5.126 296 1HB ARG 36 HB2 ARG 36 -9.045 -5.666 -5.663 297 2HB ARG 36 HB1 ARG 36 -10.323 -6.172 -4.567 298 1HG ARG 36 HG1 ARG 36 -11.285 -5.641 -7.258 299 2HG ARG 36 HG2 ARG 36 -10.061 -6.911 -7.192 300 1HD ARG 36 HD1 ARG 36 -11.471 -8.350 -6.238 301 2HD ARG 36 HD2 ARG 36 -12.008 -7.157 -5.057 302 HE ARG 36 HE ARG 36 -13.109 -7.355 -7.785 303 1HH1 ARG 36 HH11 ARG 36 -13.470 -6.807 -4.363 304 2HH1 ARG 36 HH12 ARG 36 -15.173 -6.515 -4.459 305 1HH2 ARG 36 HH21 ARG 36 -15.353 -6.973 -7.921 306 2HH2 ARG 36 HH22 ARG 36 -16.244 -6.609 -6.481 307 H ILE 37 HN ILE 37 -8.247 -4.749 -4.440 308 HA ILE 37 HA ILE 37 -7.979 -2.466 -2.675 309 HB ILE 37 HB ILE 37 -8.845 -5.050 -1.689 310 1HG1 ILE 37 HG12 ILE 37 -9.709 -2.699 -1.194 311 2HG1 ILE 37 HG11 ILE 37 -9.546 -3.788 0.180 312 1HG2 ILE 37 HG21 ILE 37 -6.385 -5.333 -1.359 313 2HG2 ILE 37 HG22 ILE 37 -7.335 -5.382 0.124 314 3HG2 ILE 37 HG23 ILE 37 -6.425 -3.929 -0.290 315 1HD1 ILE 37 HD11 ILE 37 -7.805 -1.469 -0.574 316 2HD1 ILE 37 HD12 ILE 37 -7.299 -2.694 0.590 317 3HD1 ILE 37 HD13 ILE 37 -8.734 -1.718 0.905 318 H PHE 38 HN PHE 38 -5.835 -2.253 -1.806 319 HA PHE 38 HA PHE 38 -3.832 -3.516 -3.510 320 1HB PHE 38 HB1 PHE 38 -4.018 -0.963 -2.896 321 2HB PHE 38 HB2 PHE 38 -3.170 -1.460 -1.435 322 HD1 PHE 38 HD1 PHE 38 -0.919 -2.472 -1.601 323 HD2 PHE 38 HD2 PHE 38 -2.898 -0.792 -4.973 324 HE1 PHE 38 HE1 PHE 38 1.225 -2.368 -2.802 325 HE2 PHE 38 HE2 PHE 38 -0.756 -0.685 -6.182 326 HZ PHE 38 HZ PHE 38 1.308 -1.474 -5.095 327 H GLY 39 HN GLY 39 -2.020 -4.602 -2.667 328 1HA GLY 39 HA1 GLY 39 -1.096 -6.243 -1.343 329 2HA GLY 39 HA2 GLY 39 -1.267 -5.031 -0.084 330 H ARG 40 HN ARG 40 -2.595 -7.928 -1.485 331 HA ARG 40 HA ARG 40 -4.733 -8.027 0.494 332 1HB ARG 40 HB1 ARG 40 -4.524 -8.992 -2.099 333 2HB ARG 40 HB2 ARG 40 -4.356 -10.433 -1.105 334 1HG ARG 40 HG1 ARG 40 -6.557 -8.529 -0.502 335 2HG ARG 40 HG2 ARG 40 -6.710 -9.605 -1.894 336 1HD ARG 40 HD1 ARG 40 -5.831 -10.809 0.667 337 2HD ARG 40 HD2 ARG 40 -7.512 -10.289 0.557 338 HE ARG 40 HE ARG 40 -6.465 -12.006 -1.561 339 1HH1 ARG 40 HH21 ARG 40 -8.449 -11.634 1.281 340 2HH1 ARG 40 HH22 ARG 40 -9.333 -13.099 1.013 341 1HH2 ARG 40 HH12 ARG 40 -7.625 -13.937 -1.920 342 2HH2 ARG 40 HH11 ARG 40 -8.865 -14.408 -0.807 343 H ALA 41 HN ALA 41 -3.613 -8.246 2.391 344 HA ALA 41 HA ALA 41 -1.737 -10.459 2.676 345 1HB ALA 41 HB1 ALA 41 -1.361 -9.456 4.948 346 2HB ALA 41 HB2 ALA 41 -2.455 -8.152 4.471 347 3HB ALA 41 HB3 ALA 41 -0.954 -8.414 3.581 348 H ASP 42 HN ASP 42 -2.624 -12.376 3.089 349 HA ASP 42 HA ASP 42 -5.099 -12.613 4.566 350 1HB ASP 42 HB2 ASP 42 -3.688 -14.210 2.704 351 2HB ASP 42 HB1 ASP 42 -3.756 -15.131 4.204 352 H ASP 43 HN ASP 43 -1.682 -12.938 5.115 353 HA ASP 43 HA ASP 43 -2.044 -14.159 7.733 354 1HB ASP 43 HB1 ASP 43 0.549 -13.160 6.564 355 2HB ASP 43 HB2 ASP 43 0.318 -14.381 7.810 356 H PHE 44 HN PHE 44 -2.106 -13.063 9.597 357 HA PHE 44 HA PHE 44 -2.438 -10.305 9.715 358 1HB PHE 44 HB2 PHE 44 -1.779 -10.698 12.227 359 2HB PHE 44 HB1 PHE 44 -3.269 -11.379 11.585 360 HD1 PHE 44 HD1 PHE 44 0.246 -12.183 12.415 361 HD2 PHE 44 HD2 PHE 44 -3.653 -13.686 11.607 362 HE1 PHE 44 HE1 PHE 44 0.968 -14.426 13.123 363 HE2 PHE 44 HE2 PHE 44 -2.938 -15.932 12.313 364 HZ PHE 44 HZ PHE 44 -0.625 -16.304 13.073 365 H GLU 45 HN GLU 45 0.467 -12.258 10.074 366 HA GLU 45 HA GLU 45 2.167 -10.163 10.947 367 1HB GLU 45 HB1 GLU 45 2.430 -12.851 10.784 368 2HB GLU 45 HB2 GLU 45 3.354 -12.367 9.369 369 1HG GLU 45 HG2 GLU 45 3.904 -10.949 11.909 370 2HG GLU 45 HG1 GLU 45 4.446 -12.620 11.769 371 H GLU 46 HN GLU 46 1.401 -11.502 7.764 372 HA GLU 46 HA GLU 46 3.266 -9.926 6.326 373 1HB GLU 46 HB2 GLU 46 2.166 -12.042 5.510 374 2HB GLU 46 HB1 GLU 46 0.695 -11.108 5.268 375 1HG GLU 46 HG2 GLU 46 1.616 -9.873 3.529 376 2HG GLU 46 HG1 GLU 46 3.269 -10.272 3.994 377 H ALA 47 HN ALA 47 0.162 -9.274 7.653 378 HA ALA 47 HA ALA 47 -0.740 -7.230 5.960 379 1HB ALA 47 HB1 ALA 47 -2.419 -7.742 7.369 380 2HB ALA 47 HB2 ALA 47 -1.723 -6.452 8.350 381 3HB ALA 47 HB3 ALA 47 -1.327 -8.134 8.698 382 H SER 48 HN SER 48 0.882 -6.861 9.119 383 HA SER 48 HA SER 48 1.295 -4.107 8.926 384 1HB SER 48 HB2 SER 48 2.960 -6.129 10.446 385 2HB SER 48 HB1 SER 48 2.914 -4.392 10.745 386 HG SER 48 HG SER 48 0.765 -6.223 11.025 387 H GLU 49 HN GLU 49 3.249 -6.803 7.786 388 HA GLU 49 HA GLU 49 5.557 -5.286 7.175 389 1HB GLU 49 HB1 GLU 49 6.443 -7.256 6.497 390 2HB GLU 49 HB2 GLU 49 5.063 -7.917 7.349 391 1HG GLU 49 HG1 GLU 49 3.966 -8.485 5.415 392 2HG GLU 49 HG2 GLU 49 4.814 -7.277 4.450 393 H LEU 50 HN LEU 50 2.696 -6.182 5.342 394 HA LEU 50 HA LEU 50 3.588 -5.244 2.827 395 1HB LEU 50 HB1 LEU 50 1.209 -6.391 3.945 396 2HB LEU 50 HB2 LEU 50 0.770 -4.999 2.976 397 HG LEU 50 HG LEU 50 2.399 -7.355 2.013 398 1HD1 LEU 50 HD11 LEU 50 0.502 -8.368 1.467 399 2HD1 LEU 50 HD12 LEU 50 -0.111 -6.914 0.678 400 3HD1 LEU 50 HD13 LEU 50 -0.357 -7.149 2.409 401 1HD2 LEU 50 HD21 LEU 50 1.178 -5.486 0.102 402 2HD2 LEU 50 HD22 LEU 50 2.747 -6.290 0.065 403 3HD2 LEU 50 HD23 LEU 50 2.522 -4.839 1.041 404 H VAL 51 HN VAL 51 1.728 -3.757 5.434 405 HA VAL 51 HA VAL 51 1.143 -1.329 4.155 406 HB VAL 51 HB VAL 51 1.495 -1.900 7.100 407 1HG1 VAL 51 HG21 VAL 51 1.585 0.546 6.257 408 2HG1 VAL 51 HG22 VAL 51 0.524 0.141 7.606 409 3HG1 VAL 51 HG23 VAL 51 -0.146 0.339 5.987 410 1HG2 VAL 51 HG11 VAL 51 -0.983 -1.843 5.381 411 2HG2 VAL 51 HG12 VAL 51 -0.947 -2.081 7.128 412 3HG2 VAL 51 HG13 VAL 51 -0.220 -3.282 6.060 413 H ARG 52 HN ARG 52 3.789 -2.185 6.392 414 HA ARG 52 HA ARG 52 5.040 0.348 6.326 415 1HB ARG 52 HB1 ARG 52 5.716 -2.358 7.293 416 2HB ARG 52 HB2 ARG 52 7.100 -1.363 6.863 417 1HG ARG 52 HG2 ARG 52 6.008 0.435 8.336 418 2HG ARG 52 HG1 ARG 52 5.028 -0.889 8.969 419 1HD ARG 52 HD1 ARG 52 7.884 -1.494 8.841 420 2HD ARG 52 HD2 ARG 52 7.492 -0.143 9.905 421 HE ARG 52 HE ARG 52 5.971 -1.669 11.079 422 1HH1 ARG 52 HH21 ARG 52 8.440 -3.044 9.039 423 2HH1 ARG 52 HH22 ARG 52 8.462 -4.562 9.872 424 1HH2 ARG 52 HH12 ARG 52 5.994 -3.664 12.180 425 2HH2 ARG 52 HH11 ARG 52 7.072 -4.915 11.657 426 H LYS 53 HN LYS 53 5.368 -2.539 4.337 427 HA LYS 53 HA LYS 53 7.621 -1.655 2.847 428 1HB LYS 53 HB2 LYS 53 6.268 -4.003 2.994 429 2HB LYS 53 HB1 LYS 53 5.629 -3.367 1.484 430 1HG LYS 53 HG1 LYS 53 8.083 -2.996 0.833 431 2HG LYS 53 HG2 LYS 53 8.452 -4.083 2.175 432 1HD LYS 53 HD2 LYS 53 6.817 -5.710 1.112 433 2HD LYS 53 HD1 LYS 53 6.862 -4.665 -0.310 434 1HE LYS 53 HE2 LYS 53 9.464 -4.933 -0.007 435 2HE LYS 53 HE1 LYS 53 8.987 -6.403 0.843 436 1HZ LYS 53 HZ1 LYS 53 7.573 -6.164 -1.600 437 2HZ LYS 53 HZ2 LYS 53 8.597 -7.404 -1.077 438 3HZ LYS 53 HZ3 LYS 53 9.237 -6.062 -1.882 439 H LEU 54 HN LEU 54 4.183 -1.163 2.683 440 HA LEU 54 HA LEU 54 4.061 0.052 0.116 441 1HB LEU 54 HB1 LEU 54 2.286 -0.455 2.347 442 2HB LEU 54 HB2 LEU 54 2.052 1.168 1.732 443 HG LEU 54 HG LEU 54 0.518 -0.505 0.738 444 1HD1 LEU 54 HD11 LEU 54 1.089 0.100 -1.680 445 2HD1 LEU 54 HD12 LEU 54 2.442 1.000 -0.995 446 3HD1 LEU 54 HD13 LEU 54 0.788 1.418 -0.547 447 1HD2 LEU 54 HD21 LEU 54 1.695 -1.905 -1.124 448 2HD2 LEU 54 HD22 LEU 54 1.625 -2.505 0.534 449 3HD2 LEU 54 HD23 LEU 54 3.100 -1.751 -0.070 450 H GLN 55 HN GLN 55 4.629 1.195 3.390 451 HA GLN 55 HA GLN 55 4.569 3.965 2.801 452 1HB GLN 55 HB1 GLN 55 5.923 2.503 5.070 453 2HB GLN 55 HB2 GLN 55 5.663 4.240 4.994 454 1HG GLN 55 HG1 GLN 55 3.284 3.943 5.068 455 2HG GLN 55 HG2 GLN 55 3.461 2.192 4.968 456 1HE2 GLN 55 HE22 GLN 55 4.690 4.879 6.939 457 2HE2 GLN 55 HE21 GLN 55 4.487 4.081 8.459 458 H GLU 56 HN GLU 56 6.583 5.345 3.278 459 HA GLU 56 HA GLU 56 8.601 4.589 1.360 460 1HB GLU 56 HB2 GLU 56 7.643 7.028 2.541 461 2HB GLU 56 HB1 GLU 56 9.390 6.940 2.714 462 1HG GLU 56 HG2 GLU 56 9.481 6.420 0.245 463 2HG GLU 56 HG1 GLU 56 7.774 6.860 0.185 464 H GLU 57 HN GLU 57 8.550 2.855 3.570 465 HA GLU 57 HA GLU 57 10.606 3.567 5.434 466 1HB GLU 57 HB1 GLU 57 9.173 0.978 4.842 467 2HB GLU 57 HB2 GLU 57 10.419 1.116 6.074 468 1HG GLU 57 HG2 GLU 57 8.080 2.968 6.111 469 2HG GLU 57 HG1 GLU 57 7.917 1.323 6.724 470 H LYS 58 HN LYS 58 12.656 2.551 5.657 471 HA LYS 58 HA LYS 58 13.980 2.145 3.148 472 1HB LYS 58 HB1 LYS 58 14.794 2.468 5.983 473 2HB LYS 58 HB2 LYS 58 15.904 1.589 4.940 474 1HG LYS 58 HG1 LYS 58 15.308 3.767 3.412 475 2HG LYS 58 HG2 LYS 58 15.275 4.440 5.042 476 1HD LYS 58 HD1 LYS 58 17.504 3.674 5.475 477 2HD LYS 58 HD2 LYS 58 17.539 2.774 3.956 478 1HE LYS 58 HE2 LYS 58 18.791 4.832 3.725 479 2HE LYS 58 HE1 LYS 58 17.343 4.888 2.719 480 1HZ LYS 58 HZ1 LYS 58 16.901 6.810 3.703 481 2HZ LYS 58 HZ2 LYS 58 18.113 6.597 4.862 482 3HZ LYS 58 HZ3 LYS 58 16.572 5.951 5.122 483 H TYR 59 HN TYR 59 15.931 0.282 3.742 484 HA TYR 59 HA TYR 59 14.403 -2.180 3.492 485 1HB TYR 59 HB2 TYR 59 16.652 -1.257 2.216 486 2HB TYR 59 HB1 TYR 59 17.334 -2.375 3.394 487 HD1 TYR 59 HD1 TYR 59 14.530 -2.241 0.920 488 HD2 TYR 59 HD2 TYR 59 17.577 -4.576 2.754 489 HE1 TYR 59 HE1 TYR 59 13.957 -4.129 -0.547 490 HE2 TYR 59 HE2 TYR 59 17.013 -6.471 1.292 491 HH TYR 59 HH TYR 59 15.272 -7.298 -0.065 492 H GLY 60 HN GLY 60 15.642 -4.175 4.491 493 1HA GLY 60 HA2 GLY 60 15.313 -4.001 7.279 494 2HA GLY 60 HA1 GLY 60 16.053 -5.343 6.422 495 H SER 61 HN SER 61 18.354 -5.007 5.747 496 HA SER 61 HA SER 61 19.817 -3.925 8.009 497 1HB SER 61 HB2 SER 61 20.600 -5.643 5.655 498 2HB SER 61 HB1 SER 61 21.798 -4.976 6.765 499 HG SER 61 HG SER 61 20.400 -7.168 7.075 500 H CYS 62 HN CYS 62 21.144 -2.192 7.981 501 HA CYS 62 HA CYS 62 22.141 -1.005 5.591 502 1HB CYS 62 HB2 CYS 62 19.562 -0.116 6.583 503 2HB CYS 62 HB1 CYS 62 20.735 1.197 6.581 504 HG CYS 62 HG CYS 62 21.064 0.711 3.986 505 H HIS 63 HN HIS 63 22.105 -1.508 8.858 506 HA HIS 63 HA HIS 63 23.379 -0.820 10.609 507 1HB HIS 63 HB1 HIS 63 25.124 -1.298 8.748 508 2HB HIS 63 HB2 HIS 63 25.274 0.453 8.652 509 HD2 HIS 63 HD2 HIS 63 27.058 -2.279 10.287 510 HE1 HIS 63 HE1 HIS 63 27.274 0.925 13.045 511 HE2 HIS 63 HE2 HIS 63 28.214 -1.345 12.414 512 H PHE 64 HN PHE 64 21.902 0.677 11.423 513 HA PHE 64 HA PHE 64 21.558 3.306 10.538 514 1HB PHE 64 HB2 PHE 64 20.946 1.790 13.008 515 2HB PHE 64 HB1 PHE 64 21.012 3.540 13.179 516 HD1 PHE 64 HD1 PHE 64 19.139 4.797 12.708 517 HD2 PHE 64 HD2 PHE 64 19.488 0.895 11.048 518 HE1 PHE 64 HE1 PHE 64 16.851 4.974 11.822 519 HE2 PHE 64 HE2 PHE 64 17.200 1.064 10.159 520 HZ PHE 64 HZ PHE 64 15.878 3.105 10.546 521 H THR 65 HN THR 65 23.318 4.546 10.196 522 HA THR 65 HA THR 65 25.370 4.723 12.271 523 HB THR 65 HB THR 65 25.336 5.928 9.497 524 HG1 THR 65 HG1 THR 65 27.080 3.896 9.967 525 1HG2 THR 65 HG21 THR 65 27.248 6.078 11.696 526 2HG2 THR 65 HG22 THR 65 27.065 7.099 10.269 527 3HG2 THR 65 HG23 THR 65 27.942 5.573 10.156 528 H ASN 66 HN ASN 66 24.751 6.077 13.850 529 HA ASN 66 HA ASN 66 23.113 8.349 13.488 530 1HB ASN 66 HB2 ASN 66 24.853 7.347 15.719 531 2HB ASN 66 HB1 ASN 66 24.134 8.952 15.817 532 1HD2 ASN 66 HD22 ASN 66 21.698 8.800 14.975 533 2HD2 ASN 66 HD21 ASN 66 20.766 7.614 15.815 534 HA PRO 67 HA PRO 67 25.868 11.436 11.961 535 1HB PRO 67 HB1 PRO 67 24.982 13.621 13.387 536 2HB PRO 67 HB2 PRO 67 24.206 12.995 11.929 537 1HG PRO 67 HG1 PRO 67 23.494 12.550 14.799 538 2HG PRO 67 HG2 PRO 67 22.428 12.827 13.409 539 1HD PRO 67 HD1 PRO 67 22.798 10.373 14.430 540 2HD PRO 67 HD2 PRO 67 22.597 10.632 12.684 541 H SER 68 HN SER 68 25.366 11.376 15.471 542 HA SER 68 HA SER 68 27.919 12.630 15.986 543 1HB SER 68 HB1 SER 68 25.518 12.026 17.497 544 2HB SER 68 HB2 SER 68 26.964 11.548 18.386 545 HG SER 68 HG SER 68 27.241 13.982 17.208 546 H LYS 69 HN LYS 69 26.884 9.522 15.279 547 HA LYS 69 HA LYS 69 28.885 8.165 16.891 548 1HB LYS 69 HB1 LYS 69 26.432 7.395 15.964 549 2HB LYS 69 HB2 LYS 69 27.500 6.633 14.793 550 1HG LYS 69 HG1 LYS 69 28.750 5.933 17.062 551 2HG LYS 69 HG2 LYS 69 27.088 6.044 17.650 552 1HD LYS 69 HD1 LYS 69 26.481 4.172 16.586 553 2HD LYS 69 HD2 LYS 69 27.291 4.662 15.097 554 1HE LYS 69 HE2 LYS 69 28.908 3.730 17.427 555 2HE LYS 69 HE1 LYS 69 28.100 2.550 16.396 556 1HZ LYS 69 HZ1 LYS 69 30.431 3.084 15.754 557 2HZ LYS 69 HZ2 LYS 69 29.921 4.649 15.359 558 3HZ LYS 69 HZ3 LYS 69 29.300 3.319 14.517 559 H ARG 70 HN ARG 70 30.263 6.490 15.732 560 HA ARG 70 HA ARG 70 31.783 7.865 13.699 561 1HB ARG 70 HB1 ARG 70 32.197 5.205 15.074 562 2HB ARG 70 HB2 ARG 70 33.319 5.902 13.914 563 1HG ARG 70 HG2 ARG 70 32.788 7.862 15.891 564 2HG ARG 70 HG1 ARG 70 33.153 6.341 16.709 565 1HD ARG 70 HD1 ARG 70 35.214 6.133 15.421 566 2HD ARG 70 HD2 ARG 70 34.845 7.635 14.574 567 HE ARG 70 HE ARG 70 35.555 7.404 17.419 568 1HH1 ARG 70 HH11 ARG 70 35.157 9.300 14.522 569 2HH1 ARG 70 HH12 ARG 70 35.904 10.713 15.191 570 1HH2 ARG 70 HH22 ARG 70 36.540 9.261 18.306 571 2HH2 ARG 70 HH21 ARG 70 36.689 10.690 17.340 572 H GLU 71 HN GLU 71 32.602 6.588 11.793 573 HA GLU 71 HA GLU 71 30.310 5.427 10.422 574 1HB GLU 71 HB1 GLU 71 31.662 7.197 9.330 575 2HB GLU 71 HB2 GLU 71 33.055 6.124 9.358 576 1HG GLU 71 HG2 GLU 71 32.158 6.018 7.181 577 2HG GLU 71 HG1 GLU 71 31.716 4.511 7.982 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -10.244 -12.001 5.298 2 2H MET 1 HT2 MET 1 -9.541 -12.607 6.741 3 3H MET 1 HT3 MET 1 -9.555 -13.573 5.322 4 HA MET 1 HA MET 1 -7.417 -12.496 5.901 5 1HB MET 1 HB2 MET 1 -7.293 -11.610 3.405 6 2HB MET 1 HB1 MET 1 -7.451 -13.324 3.762 7 1HG MET 1 HG2 MET 1 -10.017 -12.786 3.609 8 2HG MET 1 HG1 MET 1 -9.445 -11.424 2.648 9 1HE MET 1 HE1 MET 1 -7.941 -14.968 3.066 10 2HE MET 1 HE2 MET 1 -8.466 -15.807 1.607 11 3HE MET 1 HE3 MET 1 -9.637 -15.402 2.861 12 H TYR 2 HN TYR 2 -6.173 -10.510 5.235 13 HA TYR 2 HA TYR 2 -7.703 -8.121 6.007 14 1HB TYR 2 HB2 TYR 2 -5.020 -9.117 6.685 15 2HB TYR 2 HB1 TYR 2 -5.075 -7.403 6.286 16 HD1 TYR 2 HD1 TYR 2 -4.891 -6.241 8.280 17 HD2 TYR 2 HD2 TYR 2 -7.535 -9.569 8.083 18 HE1 TYR 2 HE1 TYR 2 -5.691 -5.732 10.546 19 HE2 TYR 2 HE2 TYR 2 -8.343 -9.068 10.350 20 HH TYR 2 HH TYR 2 -8.472 -6.987 11.842 21 H ILE 3 HN ILE 3 -7.057 -6.078 5.056 22 HA ILE 3 HA ILE 3 -5.977 -6.331 2.328 23 HB ILE 3 HB ILE 3 -7.587 -4.540 1.655 24 1HG1 ILE 3 HG12 ILE 3 -9.273 -5.197 4.025 25 2HG1 ILE 3 HG11 ILE 3 -7.956 -4.050 4.247 26 1HG2 ILE 3 HG21 ILE 3 -8.583 -7.214 2.576 27 2HG2 ILE 3 HG22 ILE 3 -8.179 -6.682 0.942 28 3HG2 ILE 3 HG23 ILE 3 -9.633 -6.073 1.733 29 1HD1 ILE 3 HD11 ILE 3 -10.067 -3.763 2.131 30 2HD1 ILE 3 HD12 ILE 3 -8.872 -2.568 2.637 31 3HD1 ILE 3 HD13 ILE 3 -10.171 -3.035 3.734 32 H ILE 4 HN ILE 4 -4.923 -4.450 1.495 33 HA ILE 4 HA ILE 4 -4.158 -2.502 3.572 34 HB ILE 4 HB ILE 4 -2.490 -3.911 1.527 35 1HG1 ILE 4 HG11 ILE 4 -0.936 -3.527 3.702 36 2HG1 ILE 4 HG12 ILE 4 -2.526 -3.463 4.458 37 1HG2 ILE 4 HG21 ILE 4 -0.760 -2.025 2.411 38 2HG2 ILE 4 HG22 ILE 4 -2.242 -1.078 2.260 39 3HG2 ILE 4 HG23 ILE 4 -1.610 -1.953 0.864 40 1HD1 ILE 4 HD11 ILE 4 -1.609 -5.714 2.694 41 2HD1 ILE 4 HD12 ILE 4 -3.050 -5.655 3.709 42 3HD1 ILE 4 HD13 ILE 4 -1.451 -5.706 4.451 43 H PHE 5 HN PHE 5 -3.868 -0.329 2.901 44 HA PHE 5 HA PHE 5 -4.764 0.348 0.200 45 1HB PHE 5 HB1 PHE 5 -6.066 2.253 1.692 46 2HB PHE 5 HB2 PHE 5 -6.816 0.837 0.969 47 HD1 PHE 5 HD1 PHE 5 -5.951 2.516 4.012 48 HD2 PHE 5 HD2 PHE 5 -7.172 -1.209 2.366 49 HE1 PHE 5 HE1 PHE 5 -6.665 1.771 6.240 50 HE2 PHE 5 HE2 PHE 5 -7.886 -1.962 4.595 51 HZ PHE 5 HZ PHE 5 -7.632 -0.467 6.533 52 H ARG 6 HN ARG 6 -4.938 3.092 0.462 53 HA ARG 6 HA ARG 6 -2.396 3.937 1.652 54 1HB ARG 6 HB2 ARG 6 -3.162 4.501 -1.219 55 2HB ARG 6 HB1 ARG 6 -1.718 5.080 -0.400 56 1HG ARG 6 HG2 ARG 6 -1.470 2.412 -0.031 57 2HG ARG 6 HG1 ARG 6 -2.300 2.460 -1.587 58 1HD ARG 6 HD1 ARG 6 0.451 3.057 -0.950 59 2HD ARG 6 HD2 ARG 6 -0.309 2.806 -2.519 60 HE ARG 6 HE ARG 6 -0.121 5.390 -1.120 61 1HH1 ARG 6 HH22 ARG 6 -0.526 3.510 -4.026 62 2HH1 ARG 6 HH21 ARG 6 -0.462 4.883 -5.077 63 1HH2 ARG 6 HH11 ARG 6 -0.036 7.205 -2.498 64 2HH2 ARG 6 HH12 ARG 6 -0.183 6.984 -4.210 65 H CYS 7 HN CYS 7 -2.524 5.868 2.633 66 HA CYS 7 HA CYS 7 -4.988 7.332 2.551 67 1HB CYS 7 HB2 CYS 7 -3.491 7.010 4.599 68 2HB CYS 7 HB1 CYS 7 -2.442 8.230 3.887 69 HG CYS 7 HG CYS 7 -4.927 8.791 5.446 70 H ASP 8 HN ASP 8 -4.933 9.761 2.244 71 HA ASP 8 HA ASP 8 -4.098 10.343 -0.360 72 1HB ASP 8 HB1 ASP 8 -5.451 11.740 1.803 73 2HB ASP 8 HB2 ASP 8 -4.405 12.820 0.887 74 H CYS 9 HN CYS 9 -2.524 10.827 2.716 75 HA CYS 9 HA CYS 9 -0.463 12.558 1.741 76 1HB CYS 9 HB2 CYS 9 -0.679 10.847 4.224 77 2HB CYS 9 HB1 CYS 9 0.669 11.934 3.901 78 HG CYS 9 HG CYS 9 -2.076 12.759 4.908 79 H GLY 10 HN GLY 10 -1.164 9.530 0.895 80 1HA GLY 10 HA1 GLY 10 0.101 8.061 -0.404 81 2HA GLY 10 HA2 GLY 10 1.551 8.948 0.052 82 H ARG 11 HN ARG 11 -0.638 8.006 2.533 83 HA ARG 11 HA ARG 11 1.405 6.372 3.759 84 1HB ARG 11 HB1 ARG 11 -1.415 6.867 4.724 85 2HB ARG 11 HB2 ARG 11 -0.061 6.268 5.672 86 1HG ARG 11 HG2 ARG 11 0.492 8.829 4.408 87 2HG ARG 11 HG1 ARG 11 -0.887 8.879 5.509 88 1HD ARG 11 HD2 ARG 11 0.561 7.749 7.219 89 2HD ARG 11 HD1 ARG 11 1.923 7.988 6.125 90 HE ARG 11 HE ARG 11 0.645 9.973 7.766 91 1HH1 ARG 11 HH12 ARG 11 2.573 9.419 4.916 92 2HH1 ARG 11 HH11 ARG 11 3.260 11.008 4.915 93 1HH2 ARG 11 HH21 ARG 11 1.547 12.067 7.772 94 2HH2 ARG 11 HH22 ARG 11 2.678 12.513 6.538 95 H ALA 12 HN ALA 12 -0.027 4.443 5.090 96 HA ALA 12 HA ALA 12 -1.592 2.870 3.274 97 1HB ALA 12 HB1 ALA 12 1.187 2.574 3.097 98 2HB ALA 12 HB2 ALA 12 -0.054 1.537 2.392 99 3HB ALA 12 HB3 ALA 12 0.604 1.167 3.986 100 H LEU 13 HN LEU 13 -2.913 1.535 4.410 101 HA LEU 13 HA LEU 13 -2.153 0.871 7.171 102 1HB LEU 13 HB1 LEU 13 -4.653 2.189 6.174 103 2HB LEU 13 HB2 LEU 13 -4.695 1.211 7.628 104 HG LEU 13 HG LEU 13 -4.468 3.487 8.278 105 1HD1 LEU 13 HD11 LEU 13 -2.878 3.173 9.835 106 2HD1 LEU 13 HD12 LEU 13 -1.644 2.772 8.640 107 3HD1 LEU 13 HD13 LEU 13 -2.810 1.549 9.148 108 1HD2 LEU 13 HD21 LEU 13 -1.917 4.207 7.238 109 2HD2 LEU 13 HD22 LEU 13 -3.471 5.020 7.047 110 3HD2 LEU 13 HD23 LEU 13 -2.990 3.759 5.912 111 H TYR 14 HN TYR 14 -4.093 -0.653 8.048 112 HA TYR 14 HA TYR 14 -4.716 -2.654 5.985 113 1HB TYR 14 HB2 TYR 14 -4.022 -4.452 7.564 114 2HB TYR 14 HB1 TYR 14 -2.687 -3.451 7.008 115 HD1 TYR 14 HD1 TYR 14 -4.576 -4.591 9.870 116 HD2 TYR 14 HD2 TYR 14 -1.706 -1.744 8.547 117 HE1 TYR 14 HE1 TYR 14 -3.936 -4.162 12.204 118 HE2 TYR 14 HE2 TYR 14 -1.057 -1.307 10.878 119 HH TYR 14 HH TYR 14 -1.516 -1.703 13.024 120 H SER 15 HN SER 15 -6.613 -3.756 6.270 121 HA SER 15 HA SER 15 -8.054 -3.668 8.770 122 1HB SER 15 HB1 SER 15 -8.590 -1.477 7.594 123 2HB SER 15 HB2 SER 15 -9.385 -2.441 6.349 124 HG SER 15 HG SER 15 -10.078 -2.916 9.010 125 H ARG 16 HN ARG 16 -10.521 -4.491 8.028 126 HA ARG 16 HA ARG 16 -9.996 -7.148 7.068 127 1HB ARG 16 HB1 ARG 16 -12.321 -7.603 7.520 128 2HB ARG 16 HB2 ARG 16 -11.617 -6.731 8.875 129 1HG ARG 16 HG1 ARG 16 -12.659 -4.776 7.164 130 2HG ARG 16 HG2 ARG 16 -13.873 -6.056 7.248 131 1HD ARG 16 HD2 ARG 16 -12.567 -5.128 9.759 132 2HD ARG 16 HD1 ARG 16 -13.816 -4.120 9.028 133 HE ARG 16 HE ARG 16 -15.080 -6.434 9.102 134 1HH1 ARG 16 HH22 ARG 16 -13.062 -4.953 11.524 135 2HH1 ARG 16 HH21 ARG 16 -13.894 -5.688 12.853 136 1HH2 ARG 16 HH12 ARG 16 -16.186 -7.405 10.845 137 2HH2 ARG 16 HH11 ARG 16 -15.671 -7.081 12.467 138 H GLU 17 HN GLU 17 -11.033 -8.153 5.277 139 HA GLU 17 HA GLU 17 -10.878 -6.723 2.876 140 1HB GLU 17 HB1 GLU 17 -10.874 -9.310 3.401 141 2HB GLU 17 HB2 GLU 17 -12.594 -9.162 3.067 142 1HG GLU 17 HG2 GLU 17 -11.560 -7.859 0.940 143 2HG GLU 17 HG1 GLU 17 -10.294 -9.047 1.247 144 H GLY 18 HN GLY 18 -12.162 -5.055 2.367 145 1HA GLY 18 HA2 GLY 18 -14.574 -4.988 1.392 146 2HA GLY 18 HA1 GLY 18 -15.010 -5.196 3.079 147 H ALA 19 HN ALA 19 -12.329 -3.455 3.352 148 HA ALA 19 HA ALA 19 -13.754 -1.018 3.831 149 1HB ALA 19 HB1 ALA 19 -11.113 -2.082 4.419 150 2HB ALA 19 HB2 ALA 19 -12.102 -0.939 5.325 151 3HB ALA 19 HB3 ALA 19 -11.089 -0.370 3.998 152 H LYS 20 HN LYS 20 -14.378 0.243 2.209 153 HA LYS 20 HA LYS 20 -12.820 0.370 -0.247 154 1HB LYS 20 HB2 LYS 20 -15.482 1.576 0.523 155 2HB LYS 20 HB1 LYS 20 -14.719 1.797 -1.046 156 1HG LYS 20 HG1 LYS 20 -15.795 -0.021 -1.713 157 2HG LYS 20 HG2 LYS 20 -14.719 -0.949 -0.667 158 1HD LYS 20 HD1 LYS 20 -16.362 -0.488 1.205 159 2HD LYS 20 HD2 LYS 20 -17.467 0.103 -0.037 160 1HE LYS 20 HE1 LYS 20 -16.663 -2.299 -1.070 161 2HE LYS 20 HE2 LYS 20 -16.710 -2.634 0.661 162 1HZ LYS 20 HZ1 LYS 20 -18.982 -1.890 0.738 163 2HZ LYS 20 HZ2 LYS 20 -18.832 -3.085 -0.449 164 3HZ LYS 20 HZ3 LYS 20 -18.949 -1.459 -0.896 165 H THR 21 HN THR 21 -13.889 2.483 2.374 166 HA THR 21 HA THR 21 -11.666 4.274 1.785 167 HB THR 21 HB THR 21 -13.548 6.129 2.397 168 HG1 THR 21 HG1 THR 21 -15.422 5.231 2.134 169 1HG2 THR 21 HG21 THR 21 -11.977 6.229 0.501 170 2HG2 THR 21 HG22 THR 21 -13.604 6.773 0.095 171 3HG2 THR 21 HG23 THR 21 -13.058 5.173 -0.409 172 H ARG 22 HN ARG 22 -10.561 4.245 3.619 173 HA ARG 22 HA ARG 22 -11.936 3.954 6.168 174 1HB ARG 22 HB1 ARG 22 -9.148 3.628 5.197 175 2HB ARG 22 HB2 ARG 22 -9.347 4.126 6.871 176 1HG ARG 22 HG2 ARG 22 -10.749 1.733 5.718 177 2HG ARG 22 HG1 ARG 22 -9.145 1.647 6.451 178 1HD ARG 22 HD2 ARG 22 -9.960 1.805 8.532 179 2HD ARG 22 HD1 ARG 22 -11.109 3.064 8.083 180 HE ARG 22 HE ARG 22 -11.663 0.262 7.405 181 1HH1 ARG 22 HH22 ARG 22 -12.482 3.192 9.102 182 2HH1 ARG 22 HH21 ARG 22 -14.062 2.641 9.552 183 1HH2 ARG 22 HH12 ARG 22 -13.739 -0.472 7.993 184 2HH2 ARG 22 HH11 ARG 22 -14.776 0.558 8.923 185 H LYS 23 HN LYS 23 -10.538 5.297 7.966 186 HA LYS 23 HA LYS 23 -10.140 8.040 7.101 187 1HB LYS 23 HB1 LYS 23 -12.551 7.942 7.536 188 2HB LYS 23 HB2 LYS 23 -12.246 7.300 9.143 189 1HG LYS 23 HG2 LYS 23 -12.278 9.385 9.887 190 2HG LYS 23 HG1 LYS 23 -10.762 9.651 9.024 191 1HD LYS 23 HD1 LYS 23 -11.818 10.633 7.210 192 2HD LYS 23 HD2 LYS 23 -13.372 9.883 7.580 193 1HE LYS 23 HE1 LYS 23 -13.768 11.364 9.378 194 2HE LYS 23 HE2 LYS 23 -12.100 11.935 9.371 195 1HZ LYS 23 HZ1 LYS 23 -12.906 13.608 8.161 196 2HZ LYS 23 HZ2 LYS 23 -14.337 12.793 7.779 197 3HZ LYS 23 HZ3 LYS 23 -12.936 12.514 6.871 198 H CYS 24 HN CYS 24 -8.934 9.272 8.534 199 HA CYS 24 HA CYS 24 -7.550 7.723 10.593 200 1HB CYS 24 HB2 CYS 24 -6.337 9.024 8.710 201 2HB CYS 24 HB1 CYS 24 -6.739 10.462 9.644 202 HG CYS 24 HG CYS 24 -4.998 9.902 11.303 203 H VAL 25 HN VAL 25 -7.870 8.105 12.678 204 HA VAL 25 HA VAL 25 -9.897 9.877 13.547 205 HB VAL 25 HB VAL 25 -7.845 8.765 15.424 206 1HG1 VAL 25 HG11 VAL 25 -10.192 8.275 16.571 207 2HG1 VAL 25 HG12 VAL 25 -10.689 9.604 15.524 208 3HG1 VAL 25 HG13 VAL 25 -9.395 9.844 16.697 209 1HG2 VAL 25 HG21 VAL 25 -10.008 6.916 14.956 210 2HG2 VAL 25 HG22 VAL 25 -8.267 6.638 14.925 211 3HG2 VAL 25 HG23 VAL 25 -9.094 7.204 13.473 212 H CYS 26 HN CYS 26 -6.503 10.214 13.087 213 HA CYS 26 HA CYS 26 -6.079 12.431 14.827 214 1HB CYS 26 HB2 CYS 26 -4.395 10.787 13.555 215 2HB CYS 26 HB1 CYS 26 -4.405 12.102 12.385 216 HG CYS 26 HG CYS 26 -2.747 12.094 14.787 217 H GLY 27 HN GLY 27 -7.347 12.049 11.624 218 1HA GLY 27 HA1 GLY 27 -8.821 14.000 11.012 219 2HA GLY 27 HA2 GLY 27 -7.396 14.987 11.303 220 H ARG 28 HN ARG 28 -8.495 12.228 9.348 221 HA ARG 28 HA ARG 28 -7.696 13.402 6.897 222 1HB ARG 28 HB2 ARG 28 -5.731 11.754 8.328 223 2HB ARG 28 HB1 ARG 28 -6.030 11.223 6.678 224 1HG ARG 28 HG1 ARG 28 -5.434 13.389 5.819 225 2HG ARG 28 HG2 ARG 28 -5.279 14.030 7.456 226 1HD ARG 28 HD1 ARG 28 -3.551 11.970 6.104 227 2HD ARG 28 HD2 ARG 28 -3.080 13.572 6.669 228 HE ARG 28 HE ARG 28 -4.054 11.849 8.754 229 1HH1 ARG 28 HH22 ARG 28 -1.259 12.810 6.904 230 2HH1 ARG 28 HH21 ARG 28 -0.127 12.315 8.117 231 1HH2 ARG 28 HH11 ARG 28 -2.568 11.194 10.355 232 2HH2 ARG 28 HH12 ARG 28 -0.870 11.396 10.078 233 H THR 29 HN THR 29 -7.448 11.383 5.210 234 HA THR 29 HA THR 29 -9.438 9.340 5.850 235 HB THR 29 HB THR 29 -9.605 11.143 3.426 236 HG1 THR 29 HG1 THR 29 -11.815 11.335 4.562 237 1HG2 THR 29 HG21 THR 29 -11.891 9.448 3.945 238 2HG2 THR 29 HG22 THR 29 -10.439 8.524 3.557 239 3HG2 THR 29 HG23 THR 29 -11.025 9.758 2.441 240 H VAL 30 HN VAL 30 -8.887 7.389 5.068 241 HA VAL 30 HA VAL 30 -6.582 7.283 3.258 242 HB VAL 30 HB VAL 30 -7.626 4.988 4.899 243 1HG1 VAL 30 HG21 VAL 30 -4.784 5.336 4.111 244 2HG1 VAL 30 HG22 VAL 30 -5.934 4.878 2.855 245 3HG1 VAL 30 HG23 VAL 30 -5.739 3.864 4.285 246 1HG2 VAL 30 HG11 VAL 30 -5.399 5.789 6.207 247 2HG2 VAL 30 HG12 VAL 30 -7.037 6.250 6.672 248 3HG2 VAL 30 HG13 VAL 30 -6.057 7.344 5.695 249 H ASN 31 HN ASN 31 -7.093 7.028 1.220 250 HA ASN 31 HA ASN 31 -9.532 5.606 0.472 251 1HB ASN 31 HB1 ASN 31 -8.213 7.858 -0.552 252 2HB ASN 31 HB2 ASN 31 -7.984 6.599 -1.763 253 1HD2 ASN 31 HD21 ASN 31 -9.960 5.408 -2.401 254 2HD2 ASN 31 HD22 ASN 31 -11.429 6.306 -2.539 255 H VAL 32 HN VAL 32 -9.443 3.498 0.045 256 HA VAL 32 HA VAL 32 -7.016 2.086 -0.312 257 HB VAL 32 HB VAL 32 -8.250 0.134 -0.477 258 1HG1 VAL 32 HG11 VAL 32 -9.116 0.324 1.553 259 2HG1 VAL 32 HG12 VAL 32 -10.507 1.195 0.906 260 3HG1 VAL 32 HG13 VAL 32 -9.062 2.080 1.395 261 1HG2 VAL 32 HG21 VAL 32 -9.573 0.518 -2.411 262 2HG2 VAL 32 HG22 VAL 32 -10.510 1.774 -1.598 263 3HG2 VAL 32 HG23 VAL 32 -10.678 0.088 -1.103 264 H LYS 33 HN LYS 33 -7.285 0.361 -2.381 265 HA LYS 33 HA LYS 33 -6.282 1.777 -4.558 266 1HB LYS 33 HB2 LYS 33 -6.396 -0.834 -3.913 267 2HB LYS 33 HB1 LYS 33 -7.669 -0.785 -5.124 268 1HG LYS 33 HG1 LYS 33 -5.965 0.363 -6.630 269 2HG LYS 33 HG2 LYS 33 -4.758 -0.151 -5.450 270 1HD LYS 33 HD2 LYS 33 -4.659 -2.062 -6.604 271 2HD LYS 33 HD1 LYS 33 -6.225 -2.441 -5.884 272 1HE LYS 33 HE1 LYS 33 -6.326 -2.748 -8.280 273 2HE LYS 33 HE2 LYS 33 -7.343 -1.387 -7.804 274 1HZ LYS 33 HZ1 LYS 33 -5.081 -1.433 -9.543 275 2HZ LYS 33 HZ2 LYS 33 -4.902 -0.272 -8.326 276 3HZ LYS 33 HZ3 LYS 33 -6.255 -0.233 -9.341 277 H ASP 34 HN ASP 34 -7.382 1.298 -6.864 278 HA ASP 34 HA ASP 34 -9.877 2.790 -6.779 279 1HB ASP 34 HB2 ASP 34 -7.700 2.815 -8.497 280 2HB ASP 34 HB1 ASP 34 -8.942 1.981 -9.426 281 H ARG 35 HN ARG 35 -8.648 -0.302 -7.987 282 HA ARG 35 HA ARG 35 -11.315 -1.168 -8.739 283 1HB ARG 35 HB2 ARG 35 -8.577 -2.392 -8.937 284 2HB ARG 35 HB1 ARG 35 -10.018 -3.365 -9.193 285 1HG ARG 35 HG1 ARG 35 -10.634 -2.162 -11.100 286 2HG ARG 35 HG2 ARG 35 -9.554 -0.822 -10.710 287 1HD ARG 35 HD1 ARG 35 -7.772 -2.836 -10.877 288 2HD ARG 35 HD2 ARG 35 -8.986 -3.400 -12.026 289 HE ARG 35 HE ARG 35 -8.690 -0.994 -12.955 290 1HH1 ARG 35 HH22 ARG 35 -6.189 -3.040 -11.649 291 2HH1 ARG 35 HH21 ARG 35 -4.935 -2.345 -12.620 292 1HH2 ARG 35 HH12 ARG 35 -7.046 -0.073 -14.236 293 2HH2 ARG 35 HH11 ARG 35 -5.422 -0.658 -14.091 294 H ARG 36 HN ARG 36 -9.370 -3.645 -7.411 295 HA ARG 36 HA ARG 36 -11.317 -4.172 -5.369 296 1HB ARG 36 HB2 ARG 36 -8.684 -5.597 -5.578 297 2HB ARG 36 HB1 ARG 36 -10.241 -6.223 -5.054 298 1HG ARG 36 HG1 ARG 36 -11.031 -6.429 -7.235 299 2HG ARG 36 HG2 ARG 36 -9.806 -5.334 -7.880 300 1HD ARG 36 HD1 ARG 36 -8.733 -7.207 -8.478 301 2HD ARG 36 HD2 ARG 36 -8.269 -7.294 -6.779 302 HE ARG 36 HE ARG 36 -10.775 -8.537 -7.169 303 1HH1 ARG 36 HH21 ARG 36 -7.373 -9.009 -7.764 304 2HH1 ARG 36 HH22 ARG 36 -7.479 -10.738 -7.738 305 1HH2 ARG 36 HH12 ARG 36 -10.922 -10.809 -7.135 306 2HH2 ARG 36 HH11 ARG 36 -9.496 -11.761 -7.382 307 H ILE 37 HN ILE 37 -7.973 -4.694 -4.585 308 HA ILE 37 HA ILE 37 -7.793 -2.426 -2.791 309 HB ILE 37 HB ILE 37 -8.682 -5.031 -1.860 310 1HG1 ILE 37 HG12 ILE 37 -9.586 -2.663 -1.421 311 2HG1 ILE 37 HG11 ILE 37 -9.549 -3.789 -0.069 312 1HG2 ILE 37 HG21 ILE 37 -7.267 -5.338 0.030 313 2HG2 ILE 37 HG22 ILE 37 -6.370 -3.860 -0.325 314 3HG2 ILE 37 HG23 ILE 37 -6.234 -5.256 -1.397 315 1HD1 ILE 37 HD11 ILE 37 -8.822 -1.560 0.583 316 2HD1 ILE 37 HD12 ILE 37 -7.521 -1.634 -0.606 317 3HD1 ILE 37 HD13 ILE 37 -7.524 -2.742 0.767 318 H PHE 38 HN PHE 38 -5.690 -2.172 -1.879 319 HA PHE 38 HA PHE 38 -3.615 -3.468 -3.469 320 1HB PHE 38 HB1 PHE 38 -3.907 -0.877 -2.782 321 2HB PHE 38 HB2 PHE 38 -2.904 -1.419 -1.440 322 HD1 PHE 38 HD1 PHE 38 -0.720 -2.604 -1.998 323 HD2 PHE 38 HD2 PHE 38 -2.958 -0.365 -4.843 324 HE1 PHE 38 HE1 PHE 38 1.284 -2.402 -3.410 325 HE2 PHE 38 HE2 PHE 38 -0.957 -0.160 -6.259 326 HZ PHE 38 HZ PHE 38 1.168 -1.179 -5.544 327 H GLY 39 HN GLY 39 -1.802 -4.481 -2.515 328 1HA GLY 39 HA1 GLY 39 -0.907 -6.080 -1.121 329 2HA GLY 39 HA2 GLY 39 -1.159 -4.845 0.103 330 H ARG 40 HN ARG 40 -2.369 -7.797 -1.294 331 HA ARG 40 HA ARG 40 -4.570 -7.904 0.620 332 1HB ARG 40 HB1 ARG 40 -4.311 -8.848 -1.967 333 2HB ARG 40 HB2 ARG 40 -4.126 -10.299 -0.990 334 1HG ARG 40 HG1 ARG 40 -6.376 -8.432 -0.421 335 2HG ARG 40 HG2 ARG 40 -6.484 -9.539 -1.792 336 1HD ARG 40 HD2 ARG 40 -5.753 -11.328 -0.042 337 2HD ARG 40 HD1 ARG 40 -6.330 -10.143 1.131 338 HE ARG 40 HE ARG 40 -8.462 -10.715 0.569 339 1HH1 ARG 40 HH11 ARG 40 -6.345 -11.680 -2.024 340 2HH1 ARG 40 HH12 ARG 40 -7.594 -12.478 -2.920 341 1HH2 ARG 40 HH21 ARG 40 -10.114 -11.764 -0.603 342 2HH2 ARG 40 HH22 ARG 40 -9.736 -12.526 -2.112 343 H ALA 41 HN ALA 41 -3.532 -8.149 2.562 344 HA ALA 41 HA ALA 41 -1.674 -10.385 2.878 345 1HB ALA 41 HB1 ALA 41 -0.858 -8.368 3.813 346 2HB ALA 41 HB2 ALA 41 -1.333 -9.401 5.164 347 3HB ALA 41 HB3 ALA 41 -2.375 -8.065 4.662 348 H ASP 42 HN ASP 42 -2.392 -12.282 3.557 349 HA ASP 42 HA ASP 42 -5.033 -12.539 4.704 350 1HB ASP 42 HB2 ASP 42 -4.217 -14.195 3.071 351 2HB ASP 42 HB1 ASP 42 -2.914 -14.637 4.171 352 H ASP 43 HN ASP 43 -1.684 -12.853 5.728 353 HA ASP 43 HA ASP 43 -2.472 -13.623 8.427 354 1HB ASP 43 HB1 ASP 43 0.052 -13.599 6.872 355 2HB ASP 43 HB2 ASP 43 0.204 -13.297 8.600 356 H PHE 44 HN PHE 44 -2.508 -12.281 10.142 357 HA PHE 44 HA PHE 44 -2.613 -9.510 9.829 358 1HB PHE 44 HB1 PHE 44 -3.567 -10.840 11.744 359 2HB PHE 44 HB2 PHE 44 -1.935 -10.960 12.394 360 HD1 PHE 44 HD1 PHE 44 -0.843 -9.047 13.379 361 HD2 PHE 44 HD2 PHE 44 -4.766 -8.735 11.758 362 HE1 PHE 44 HE1 PHE 44 -1.138 -6.887 14.519 363 HE2 PHE 44 HE2 PHE 44 -5.069 -6.576 12.897 364 HZ PHE 44 HZ PHE 44 -3.253 -5.649 14.278 365 H GLU 45 HN GLU 45 0.051 -11.631 10.705 366 HA GLU 45 HA GLU 45 1.892 -9.600 11.427 367 1HB GLU 45 HB1 GLU 45 1.943 -12.488 10.981 368 2HB GLU 45 HB2 GLU 45 3.427 -11.695 10.472 369 1HG GLU 45 HG2 GLU 45 3.696 -10.723 12.676 370 2HG GLU 45 HG1 GLU 45 2.174 -11.445 13.196 371 H GLU 46 HN GLU 46 1.196 -11.291 8.405 372 HA GLU 46 HA GLU 46 3.250 -10.063 6.883 373 1HB GLU 46 HB1 GLU 46 0.654 -11.383 6.077 374 2HB GLU 46 HB2 GLU 46 1.852 -10.816 4.921 375 1HG GLU 46 HG1 GLU 46 3.510 -12.326 6.001 376 2HG GLU 46 HG2 GLU 46 2.199 -12.970 6.990 377 H ALA 47 HN ALA 47 0.100 -9.083 7.900 378 HA ALA 47 HA ALA 47 -0.521 -7.144 5.976 379 1HB ALA 47 HB1 ALA 47 -2.342 -7.327 7.270 380 2HB ALA 47 HB2 ALA 47 -1.565 -6.112 8.284 381 3HB ALA 47 HB3 ALA 47 -1.406 -7.824 8.681 382 H SER 48 HN SER 48 1.168 -6.805 9.092 383 HA SER 48 HA SER 48 1.706 -4.065 8.907 384 1HB SER 48 HB2 SER 48 1.950 -5.544 10.952 385 2HB SER 48 HB1 SER 48 3.479 -6.098 10.270 386 HG SER 48 HG SER 48 3.517 -4.245 11.799 387 H GLU 49 HN GLU 49 3.455 -6.862 7.683 388 HA GLU 49 HA GLU 49 5.792 -5.454 6.898 389 1HB GLU 49 HB2 GLU 49 4.704 -8.157 6.604 390 2HB GLU 49 HB1 GLU 49 5.664 -7.640 5.224 391 1HG GLU 49 HG2 GLU 49 7.102 -6.902 7.526 392 2HG GLU 49 HG1 GLU 49 6.529 -8.549 7.786 393 H LEU 50 HN LEU 50 2.786 -6.287 5.256 394 HA LEU 50 HA LEU 50 3.581 -5.435 2.671 395 1HB LEU 50 HB1 LEU 50 1.142 -6.350 3.988 396 2HB LEU 50 HB2 LEU 50 0.832 -5.130 2.770 397 HG LEU 50 HG LEU 50 2.113 -6.543 1.137 398 1HD1 LEU 50 HD21 LEU 50 1.920 -8.619 3.314 399 2HD1 LEU 50 HD22 LEU 50 3.404 -7.812 2.806 400 3HD1 LEU 50 HD23 LEU 50 2.541 -8.860 1.680 401 1HD2 LEU 50 HD11 LEU 50 0.297 -8.018 0.693 402 2HD2 LEU 50 HD12 LEU 50 -0.378 -6.530 1.357 403 3HD2 LEU 50 HD13 LEU 50 -0.234 -7.964 2.375 404 H VAL 51 HN VAL 51 1.906 -3.863 5.342 405 HA VAL 51 HA VAL 51 1.312 -1.438 4.043 406 HB VAL 51 HB VAL 51 1.693 -2.081 6.963 407 1HG1 VAL 51 HG21 VAL 51 0.182 0.135 7.011 408 2HG1 VAL 51 HG22 VAL 51 1.190 0.490 5.608 409 3HG1 VAL 51 HG23 VAL 51 1.938 0.154 7.169 410 1HG2 VAL 51 HG11 VAL 51 -0.480 -2.648 7.026 411 2HG2 VAL 51 HG12 VAL 51 -0.292 -2.866 5.286 412 3HG2 VAL 51 HG13 VAL 51 -0.952 -1.357 5.919 413 H ARG 52 HN ARG 52 4.094 -2.458 6.001 414 HA ARG 52 HA ARG 52 5.379 0.039 6.117 415 1HB ARG 52 HB1 ARG 52 5.887 -2.231 7.342 416 2HB ARG 52 HB2 ARG 52 6.952 -2.509 5.972 417 1HG ARG 52 HG2 ARG 52 8.463 -1.491 7.284 418 2HG ARG 52 HG1 ARG 52 7.714 -0.022 6.657 419 1HD ARG 52 HD2 ARG 52 6.354 0.211 8.594 420 2HD ARG 52 HD1 ARG 52 6.800 -1.394 9.175 421 HE ARG 52 HE ARG 52 8.755 -0.524 10.011 422 1HH1 ARG 52 HH21 ARG 52 7.240 1.816 7.918 423 2HH1 ARG 52 HH22 ARG 52 8.305 3.104 8.374 424 1HH2 ARG 52 HH11 ARG 52 10.160 1.165 10.616 425 2HH2 ARG 52 HH12 ARG 52 9.965 2.734 9.908 426 H LYS 53 HN LYS 53 5.603 -2.609 3.780 427 HA LYS 53 HA LYS 53 7.576 -1.348 2.151 428 1HB LYS 53 HB2 LYS 53 6.358 -3.853 2.237 429 2HB LYS 53 HB1 LYS 53 5.794 -3.156 0.724 430 1HG LYS 53 HG2 LYS 53 8.625 -2.731 1.075 431 2HG LYS 53 HG1 LYS 53 8.210 -4.443 1.181 432 1HD LYS 53 HD1 LYS 53 6.714 -3.497 -0.960 433 2HD LYS 53 HD2 LYS 53 8.279 -2.697 -1.127 434 1HE LYS 53 HE1 LYS 53 8.231 -4.827 -2.325 435 2HE LYS 53 HE2 LYS 53 9.409 -4.851 -1.012 436 1HZ LYS 53 HZ1 LYS 53 8.416 -6.701 -0.338 437 2HZ LYS 53 HZ2 LYS 53 7.126 -6.504 -1.414 438 3HZ LYS 53 HZ3 LYS 53 7.080 -5.766 0.107 439 H LEU 54 HN LEU 54 4.091 -1.332 2.348 440 HA LEU 54 HA LEU 54 3.589 -0.012 -0.123 441 1HB LEU 54 HB1 LEU 54 2.075 -1.014 2.101 442 2HB LEU 54 HB2 LEU 54 1.535 0.606 1.715 443 HG LEU 54 HG LEU 54 0.210 -1.118 0.570 444 1HD1 LEU 54 HD11 LEU 54 -0.025 0.689 -0.739 445 2HD1 LEU 54 HD12 LEU 54 0.986 -0.220 -1.864 446 3HD1 LEU 54 HD13 LEU 54 1.711 0.992 -0.808 447 1HD2 LEU 54 HD21 LEU 54 2.812 -2.190 -0.008 448 2HD2 LEU 54 HD22 LEU 54 1.898 -1.945 -1.496 449 3HD2 LEU 54 HD23 LEU 54 1.224 -2.932 -0.199 450 H GLN 55 HN GLN 55 4.900 1.035 2.813 451 HA GLN 55 HA GLN 55 3.897 3.670 2.935 452 1HB GLN 55 HB1 GLN 55 6.221 2.231 4.127 453 2HB GLN 55 HB2 GLN 55 6.205 3.987 4.196 454 1HG GLN 55 HG2 GLN 55 4.080 2.150 5.279 455 2HG GLN 55 HG1 GLN 55 5.291 3.017 6.223 456 1HE2 GLN 55 HE22 GLN 55 5.304 5.461 5.671 457 2HE2 GLN 55 HE21 GLN 55 3.751 6.217 5.671 458 H GLU 56 HN GLU 56 6.041 5.359 3.066 459 HA GLU 56 HA GLU 56 6.524 5.885 0.286 460 1HB GLU 56 HB1 GLU 56 6.629 7.347 2.756 461 2HB GLU 56 HB2 GLU 56 8.137 7.575 1.882 462 1HG GLU 56 HG2 GLU 56 6.589 9.317 1.301 463 2HG GLU 56 HG1 GLU 56 6.865 8.278 -0.097 464 H GLU 57 HN GLU 57 7.687 3.788 -0.018 465 HA GLU 57 HA GLU 57 10.319 3.517 1.090 466 1HB GLU 57 HB2 GLU 57 10.515 1.596 -0.458 467 2HB GLU 57 HB1 GLU 57 9.057 1.528 0.522 468 1HG GLU 57 HG1 GLU 57 7.685 2.139 -1.293 469 2HG GLU 57 HG2 GLU 57 9.070 2.626 -2.270 470 H LYS 58 HN LYS 58 12.275 3.915 0.143 471 HA LYS 58 HA LYS 58 12.314 5.873 -1.950 472 1HB LYS 58 HB2 LYS 58 13.853 5.748 0.110 473 2HB LYS 58 HB1 LYS 58 14.735 4.518 -0.786 474 1HG LYS 58 HG1 LYS 58 14.736 6.369 -2.660 475 2HG LYS 58 HG2 LYS 58 14.521 7.440 -1.274 476 1HD LYS 58 HD1 LYS 58 16.544 6.708 -0.279 477 2HD LYS 58 HD2 LYS 58 16.689 5.357 -1.405 478 1HE LYS 58 HE2 LYS 58 18.136 6.774 -2.420 479 2HE LYS 58 HE1 LYS 58 16.648 7.358 -3.167 480 1HZ LYS 58 HZ1 LYS 58 18.030 8.537 -0.818 481 2HZ LYS 58 HZ2 LYS 58 16.531 9.057 -1.407 482 3HZ LYS 58 HZ3 LYS 58 17.916 9.208 -2.366 483 H TYR 59 HN TYR 59 13.649 5.677 -3.884 484 HA TYR 59 HA TYR 59 13.283 3.070 -5.118 485 1HB TYR 59 HB2 TYR 59 14.542 5.187 -6.727 486 2HB TYR 59 HB1 TYR 59 13.152 4.171 -7.091 487 HD1 TYR 59 HD1 TYR 59 14.252 7.426 -6.109 488 HD2 TYR 59 HD2 TYR 59 10.913 4.789 -6.021 489 HE1 TYR 59 HE1 TYR 59 12.759 9.339 -5.706 490 HE2 TYR 59 HE2 TYR 59 9.412 6.696 -5.618 491 HH TYR 59 HH TYR 59 9.382 9.124 -5.972 492 H GLY 60 HN GLY 60 15.013 2.252 -3.580 493 1HA GLY 60 HA1 GLY 60 17.502 2.105 -5.062 494 2HA GLY 60 HA2 GLY 60 17.633 2.836 -3.471 495 H SER 61 HN SER 61 15.229 0.815 -2.941 496 HA SER 61 HA SER 61 16.990 -1.233 -1.868 497 1HB SER 61 HB1 SER 61 15.131 -0.201 -0.514 498 2HB SER 61 HB2 SER 61 13.986 -1.021 -1.575 499 HG SER 61 HG SER 61 15.310 -1.998 0.535 500 H CYS 62 HN CYS 62 14.024 -1.154 -3.852 501 HA CYS 62 HA CYS 62 14.439 -3.896 -4.685 502 1HB CYS 62 HB2 CYS 62 12.308 -1.837 -5.196 503 2HB CYS 62 HB1 CYS 62 12.374 -3.317 -6.146 504 HG CYS 62 HG CYS 62 10.817 -3.399 -3.904 505 H HIS 63 HN HIS 63 13.711 -4.019 -7.262 506 HA HIS 63 HA HIS 63 16.059 -3.044 -8.611 507 1HB HIS 63 HB1 HIS 63 14.075 -5.099 -9.039 508 2HB HIS 63 HB2 HIS 63 14.310 -4.158 -10.510 509 HD2 HIS 63 HD2 HIS 63 16.744 -5.929 -7.939 510 HE1 HIS 63 HE1 HIS 63 18.179 -6.381 -11.895 511 HE2 HIS 63 HE2 HIS 63 18.590 -6.941 -9.456 512 H PHE 64 HN PHE 64 15.067 -2.618 -11.197 513 HA PHE 64 HA PHE 64 14.518 0.123 -11.148 514 1HB PHE 64 HB2 PHE 64 14.302 -1.983 -13.285 515 2HB PHE 64 HB1 PHE 64 13.801 -0.325 -13.602 516 HD1 PHE 64 HD1 PHE 64 16.552 -2.597 -13.385 517 HD2 PHE 64 HD2 PHE 64 15.492 1.522 -13.288 518 HE1 PHE 64 HE1 PHE 64 18.885 -1.989 -13.884 519 HE2 PHE 64 HE2 PHE 64 17.821 2.138 -13.786 520 HZ PHE 64 HZ PHE 64 19.520 0.382 -14.085 521 H THR 65 HN THR 65 12.733 1.098 -10.472 522 HA THR 65 HA THR 65 10.168 -0.298 -10.650 523 HB THR 65 HB THR 65 9.552 1.947 -9.310 524 HG1 THR 65 HG1 THR 65 12.086 1.538 -8.256 525 1HG2 THR 65 HG21 THR 65 11.049 -0.181 -7.839 526 2HG2 THR 65 HG22 THR 65 9.455 -0.476 -8.531 527 3HG2 THR 65 HG23 THR 65 9.667 0.777 -7.308 528 H ASN 66 HN ASN 66 8.528 2.022 -10.576 529 HA ASN 66 HA ASN 66 8.193 2.496 -13.335 530 1HB ASN 66 HB2 ASN 66 6.991 4.515 -11.584 531 2HB ASN 66 HB1 ASN 66 6.229 3.405 -12.720 532 1HD2 ASN 66 HD22 ASN 66 6.456 4.230 -9.556 533 2HD2 ASN 66 HD21 ASN 66 5.941 2.749 -8.830 534 HA PRO 67 HA PRO 67 6.848 4.611 -14.078 535 1HB PRO 67 HB2 PRO 67 7.743 6.085 -16.402 536 2HB PRO 67 HB1 PRO 67 6.546 6.551 -15.193 537 1HG PRO 67 HG2 PRO 67 8.964 7.784 -15.472 538 2HG PRO 67 HG1 PRO 67 8.074 7.707 -13.941 539 1HD PRO 67 HD2 PRO 67 10.381 6.040 -14.879 540 2HD PRO 67 HD1 PRO 67 10.073 6.738 -13.274 541 H SER 68 HN SER 68 9.336 2.876 -14.492 542 HA SER 68 HA SER 68 9.168 2.111 -17.261 543 1HB SER 68 HB2 SER 68 10.874 1.467 -14.960 544 2HB SER 68 HB1 SER 68 10.553 0.088 -16.013 545 HG SER 68 HG SER 68 12.411 1.597 -16.495 546 H LYS 69 HN LYS 69 8.710 0.234 -14.263 547 HA LYS 69 HA LYS 69 6.956 -1.599 -15.681 548 1HB LYS 69 HB2 LYS 69 8.749 -2.321 -14.025 549 2HB LYS 69 HB1 LYS 69 7.705 -1.687 -12.760 550 1HG LYS 69 HG2 LYS 69 6.123 -3.336 -13.049 551 2HG LYS 69 HG1 LYS 69 6.621 -3.668 -14.710 552 1HD LYS 69 HD2 LYS 69 8.881 -4.332 -13.443 553 2HD LYS 69 HD1 LYS 69 7.725 -4.674 -12.155 554 1HE LYS 69 HE2 LYS 69 6.803 -5.688 -14.700 555 2HE LYS 69 HE1 LYS 69 8.395 -6.327 -14.293 556 1HZ LYS 69 HZ1 LYS 69 6.668 -7.746 -13.421 557 2HZ LYS 69 HZ2 LYS 69 5.973 -6.453 -12.578 558 3HZ LYS 69 HZ3 LYS 69 7.505 -7.022 -12.141 559 H ARG 70 HN ARG 70 4.800 -1.583 -15.579 560 HA ARG 70 HA ARG 70 3.483 0.510 -14.081 561 1HB ARG 70 HB2 ARG 70 1.404 -0.647 -15.167 562 2HB ARG 70 HB1 ARG 70 2.500 0.301 -16.161 563 1HG ARG 70 HG2 ARG 70 3.458 -2.368 -16.109 564 2HG ARG 70 HG1 ARG 70 1.729 -2.406 -16.463 565 1HD ARG 70 HD2 ARG 70 2.876 -0.287 -17.955 566 2HD ARG 70 HD1 ARG 70 3.886 -1.714 -18.184 567 HE ARG 70 HE ARG 70 1.202 -1.312 -19.140 568 1HH1 ARG 70 HH11 ARG 70 3.629 -3.667 -18.298 569 2HH1 ARG 70 HH12 ARG 70 2.955 -4.910 -19.298 570 1HH2 ARG 70 HH21 ARG 70 0.308 -2.942 -20.459 571 2HH2 ARG 70 HH22 ARG 70 1.067 -4.498 -20.526 572 H GLU 71 HN GLU 71 3.699 -0.063 -11.930 573 HA GLU 71 HA GLU 71 2.699 -2.647 -11.043 574 1HB GLU 71 HB2 GLU 71 4.162 -0.382 -9.732 575 2HB GLU 71 HB1 GLU 71 3.320 -1.566 -8.742 576 1HG GLU 71 HG2 GLU 71 4.842 -2.997 -10.638 577 2HG GLU 71 HG1 GLU 71 5.883 -1.745 -9.963 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -10.408 -11.646 5.318 2 2H MET 1 HT2 MET 1 -9.996 -12.467 6.767 3 3H MET 1 HT3 MET 1 -9.915 -13.288 5.262 4 HA MET 1 HA MET 1 -7.796 -12.440 6.345 5 1HB MET 1 HB2 MET 1 -6.989 -11.840 3.979 6 2HB MET 1 HB1 MET 1 -7.701 -13.431 4.216 7 1HG MET 1 HG2 MET 1 -9.811 -11.703 3.534 8 2HG MET 1 HG1 MET 1 -8.483 -11.349 2.429 9 1HE MET 1 HE1 MET 1 -11.321 -13.840 0.894 10 2HE MET 1 HE2 MET 1 -11.179 -12.210 1.551 11 3HE MET 1 HE3 MET 1 -11.642 -13.548 2.603 12 H TYR 2 HN TYR 2 -6.294 -10.539 5.366 13 HA TYR 2 HA TYR 2 -7.648 -8.051 6.159 14 1HB TYR 2 HB2 TYR 2 -4.834 -9.036 6.488 15 2HB TYR 2 HB1 TYR 2 -5.156 -7.306 6.474 16 HD1 TYR 2 HD1 TYR 2 -7.747 -7.213 7.931 17 HD2 TYR 2 HD2 TYR 2 -4.215 -9.462 8.697 18 HE1 TYR 2 HE1 TYR 2 -8.326 -7.298 10.319 19 HE2 TYR 2 HE2 TYR 2 -4.786 -9.552 11.087 20 HH TYR 2 HH TYR 2 -6.979 -7.588 12.532 21 H ILE 3 HN ILE 3 -6.973 -6.074 5.133 22 HA ILE 3 HA ILE 3 -5.973 -6.406 2.380 23 HB ILE 3 HB ILE 3 -7.530 -4.558 1.722 24 1HG1 ILE 3 HG11 ILE 3 -9.135 -5.167 4.180 25 2HG1 ILE 3 HG12 ILE 3 -7.848 -3.967 4.259 26 1HG2 ILE 3 HG21 ILE 3 -7.979 -7.043 1.417 27 2HG2 ILE 3 HG22 ILE 3 -9.364 -5.956 1.309 28 3HG2 ILE 3 HG23 ILE 3 -9.090 -6.893 2.780 29 1HD1 ILE 3 HD11 ILE 3 -10.186 -3.121 3.804 30 2HD1 ILE 3 HD12 ILE 3 -10.022 -3.841 2.202 31 3HD1 ILE 3 HD13 ILE 3 -8.913 -2.567 2.714 32 H ILE 4 HN ILE 4 -5.055 -4.399 1.473 33 HA ILE 4 HA ILE 4 -4.164 -2.515 3.554 34 HB ILE 4 HB ILE 4 -2.533 -3.958 1.508 35 1HG1 ILE 4 HG12 ILE 4 -0.955 -3.512 3.671 36 2HG1 ILE 4 HG11 ILE 4 -2.544 -3.475 4.428 37 1HG2 ILE 4 HG21 ILE 4 -1.591 -2.058 0.800 38 2HG2 ILE 4 HG22 ILE 4 -0.805 -2.027 2.381 39 3HG2 ILE 4 HG23 ILE 4 -2.290 -1.111 2.115 40 1HD1 ILE 4 HD11 ILE 4 -2.958 -5.681 3.983 41 2HD1 ILE 4 HD12 ILE 4 -1.215 -5.701 4.246 42 3HD1 ILE 4 HD13 ILE 4 -1.859 -5.723 2.605 43 H PHE 5 HN PHE 5 -3.860 -0.349 2.875 44 HA PHE 5 HA PHE 5 -4.753 0.353 0.183 45 1HB PHE 5 HB1 PHE 5 -6.138 2.205 1.624 46 2HB PHE 5 HB2 PHE 5 -6.834 0.732 0.962 47 HD1 PHE 5 HD1 PHE 5 -5.838 2.488 3.966 48 HD2 PHE 5 HD2 PHE 5 -7.267 -1.201 2.402 49 HE1 PHE 5 HE1 PHE 5 -6.499 1.791 6.227 50 HE2 PHE 5 HE2 PHE 5 -7.930 -1.906 4.665 51 HZ PHE 5 HZ PHE 5 -7.543 -0.405 6.579 52 H ARG 6 HN ARG 6 -5.035 3.117 0.601 53 HA ARG 6 HA ARG 6 -2.501 3.965 1.799 54 1HB ARG 6 HB2 ARG 6 -3.263 4.213 -1.091 55 2HB ARG 6 HB1 ARG 6 -2.223 5.423 -0.351 56 1HG ARG 6 HG1 ARG 6 -0.450 4.089 -0.433 57 2HG ARG 6 HG2 ARG 6 -1.347 2.723 0.234 58 1HD ARG 6 HD1 ARG 6 -0.509 2.223 -2.003 59 2HD ARG 6 HD2 ARG 6 -2.273 2.242 -1.968 60 HE ARG 6 HE ARG 6 -2.206 4.376 -3.080 61 1HH1 ARG 6 HH21 ARG 6 0.818 2.648 -2.945 62 2HH1 ARG 6 HH22 ARG 6 1.514 3.504 -4.280 63 1HH2 ARG 6 HH12 ARG 6 -1.297 5.507 -4.837 64 2HH2 ARG 6 HH11 ARG 6 0.312 5.129 -5.355 65 H CYS 7 HN CYS 7 -2.620 5.865 2.822 66 HA CYS 7 HA CYS 7 -5.124 7.268 2.899 67 1HB CYS 7 HB2 CYS 7 -3.509 6.872 4.864 68 2HB CYS 7 HB1 CYS 7 -2.562 8.192 4.183 69 HG CYS 7 HG CYS 7 -4.349 9.845 4.833 70 H ASP 8 HN ASP 8 -5.215 9.659 2.613 71 HA ASP 8 HA ASP 8 -4.370 10.385 0.046 72 1HB ASP 8 HB1 ASP 8 -5.875 11.601 2.212 73 2HB ASP 8 HB2 ASP 8 -4.870 12.788 1.386 74 H CYS 9 HN CYS 9 -2.871 10.765 3.150 75 HA CYS 9 HA CYS 9 -0.915 12.698 2.339 76 1HB CYS 9 HB1 CYS 9 -1.627 12.317 4.710 77 2HB CYS 9 HB2 CYS 9 -0.816 10.755 4.655 78 HG CYS 9 HG CYS 9 1.457 12.063 4.377 79 H GLY 10 HN GLY 10 -1.424 9.728 1.238 80 1HA GLY 10 HA2 GLY 10 -0.060 8.441 -0.148 81 2HA GLY 10 HA1 GLY 10 1.334 9.354 0.418 82 H ARG 11 HN ARG 11 -0.743 8.219 2.858 83 HA ARG 11 HA ARG 11 1.326 6.470 3.868 84 1HB ARG 11 HB1 ARG 11 -1.390 6.729 5.109 85 2HB ARG 11 HB2 ARG 11 0.162 6.453 5.886 86 1HG ARG 11 HG2 ARG 11 0.662 8.863 4.906 87 2HG ARG 11 HG1 ARG 11 -1.096 8.984 4.999 88 1HD ARG 11 HD2 ARG 11 0.903 8.647 7.188 89 2HD ARG 11 HD1 ARG 11 -0.457 9.762 7.074 90 HE ARG 11 HE ARG 11 -0.647 6.899 7.729 91 1HH1 ARG 11 HH11 ARG 11 -1.994 10.114 7.687 92 2HH1 ARG 11 HH12 ARG 11 -3.358 9.694 8.667 93 1HH2 ARG 11 HH21 ARG 11 -2.439 6.338 9.021 94 2HH2 ARG 11 HH22 ARG 11 -3.610 7.547 9.426 95 H ALA 12 HN ALA 12 -0.092 4.524 5.173 96 HA ALA 12 HA ALA 12 -1.806 3.092 3.366 97 1HB ALA 12 HB1 ALA 12 -0.121 2.133 2.229 98 2HB ALA 12 HB2 ALA 12 -0.004 1.094 3.649 99 3HB ALA 12 HB3 ALA 12 1.067 2.486 3.485 100 H LEU 13 HN LEU 13 -2.916 1.398 4.403 101 HA LEU 13 HA LEU 13 -2.117 0.738 7.135 102 1HB LEU 13 HB1 LEU 13 -4.541 2.268 6.383 103 2HB LEU 13 HB2 LEU 13 -4.738 1.026 7.603 104 HG LEU 13 HG LEU 13 -2.433 2.684 8.173 105 1HD1 LEU 13 HD21 LEU 13 -3.490 4.770 8.566 106 2HD1 LEU 13 HD22 LEU 13 -5.077 4.118 8.158 107 3HD1 LEU 13 HD23 LEU 13 -3.858 4.318 6.902 108 1HD2 LEU 13 HD11 LEU 13 -3.937 3.037 10.270 109 2HD2 LEU 13 HD12 LEU 13 -3.226 1.455 9.951 110 3HD2 LEU 13 HD13 LEU 13 -4.916 1.760 9.547 111 H TYR 14 HN TYR 14 -4.108 -0.761 8.024 112 HA TYR 14 HA TYR 14 -4.778 -2.702 5.922 113 1HB TYR 14 HB2 TYR 14 -4.104 -4.556 7.412 114 2HB TYR 14 HB1 TYR 14 -2.743 -3.535 6.961 115 HD1 TYR 14 HD1 TYR 14 -4.801 -4.757 9.688 116 HD2 TYR 14 HD2 TYR 14 -1.753 -1.986 8.624 117 HE1 TYR 14 HE1 TYR 14 -4.244 -4.467 12.065 118 HE2 TYR 14 HE2 TYR 14 -1.186 -1.690 10.999 119 HH TYR 14 HH TYR 14 -1.447 -2.640 13.089 120 H SER 15 HN SER 15 -6.689 -3.806 6.220 121 HA SER 15 HA SER 15 -8.120 -3.665 8.725 122 1HB SER 15 HB1 SER 15 -8.617 -1.487 7.479 123 2HB SER 15 HB2 SER 15 -9.475 -2.479 6.300 124 HG SER 15 HG SER 15 -11.084 -2.551 7.632 125 H ARG 16 HN ARG 16 -10.599 -4.458 8.007 126 HA ARG 16 HA ARG 16 -10.130 -7.148 7.125 127 1HB ARG 16 HB1 ARG 16 -12.424 -7.565 7.634 128 2HB ARG 16 HB2 ARG 16 -11.775 -6.537 8.905 129 1HG ARG 16 HG1 ARG 16 -12.830 -4.834 6.923 130 2HG ARG 16 HG2 ARG 16 -14.021 -6.104 7.216 131 1HD ARG 16 HD1 ARG 16 -13.244 -5.499 9.747 132 2HD ARG 16 HD2 ARG 16 -13.100 -3.929 8.960 133 HE ARG 16 HE ARG 16 -15.387 -3.833 8.787 134 1HH1 ARG 16 HH11 ARG 16 -14.423 -7.069 9.649 135 2HH1 ARG 16 HH12 ARG 16 -16.038 -7.602 9.974 136 1HH2 ARG 16 HH22 ARG 16 -17.517 -4.526 9.213 137 2HH2 ARG 16 HH21 ARG 16 -17.798 -6.157 9.726 138 H GLU 17 HN GLU 17 -11.099 -8.183 5.339 139 HA GLU 17 HA GLU 17 -10.901 -6.803 2.911 140 1HB GLU 17 HB1 GLU 17 -10.878 -9.380 3.510 141 2HB GLU 17 HB2 GLU 17 -12.583 -9.263 3.099 142 1HG GLU 17 HG1 GLU 17 -10.697 -8.067 1.176 143 2HG GLU 17 HG2 GLU 17 -10.660 -9.823 1.323 144 H GLY 18 HN GLY 18 -12.197 -5.173 2.322 145 1HA GLY 18 HA1 GLY 18 -14.573 -5.148 1.274 146 2HA GLY 18 HA2 GLY 18 -15.065 -5.359 2.947 147 H ALA 19 HN ALA 19 -12.406 -3.556 3.247 148 HA ALA 19 HA ALA 19 -13.893 -1.160 3.729 149 1HB ALA 19 HB1 ALA 19 -11.881 -1.992 5.042 150 2HB ALA 19 HB2 ALA 19 -11.925 -0.274 4.647 151 3HB ALA 19 HB3 ALA 19 -10.898 -1.366 3.717 152 H LYS 20 HN LYS 20 -14.540 0.122 2.136 153 HA LYS 20 HA LYS 20 -13.019 0.294 -0.340 154 1HB LYS 20 HB2 LYS 20 -15.753 1.122 0.535 155 2HB LYS 20 HB1 LYS 20 -15.022 1.953 -0.831 156 1HG LYS 20 HG2 LYS 20 -15.786 0.321 -2.117 157 2HG LYS 20 HG1 LYS 20 -14.613 -0.749 -1.346 158 1HD LYS 20 HD1 LYS 20 -16.644 -0.694 0.488 159 2HD LYS 20 HD2 LYS 20 -17.518 -0.617 -1.043 160 1HE LYS 20 HE2 LYS 20 -15.358 -2.640 -0.511 161 2HE LYS 20 HE1 LYS 20 -17.049 -2.932 -0.108 162 1HZ LYS 20 HZ1 LYS 20 -17.664 -2.807 -2.361 163 2HZ LYS 20 HZ2 LYS 20 -16.279 -3.779 -2.329 164 3HZ LYS 20 HZ3 LYS 20 -16.170 -2.167 -2.831 165 H THR 21 HN THR 21 -14.113 2.383 2.296 166 HA THR 21 HA THR 21 -11.895 4.192 1.725 167 HB THR 21 HB THR 21 -13.655 6.086 2.290 168 HG1 THR 21 HG1 THR 21 -15.349 4.439 2.455 169 1HG2 THR 21 HG21 THR 21 -12.322 5.617 0.108 170 2HG2 THR 21 HG22 THR 21 -13.708 6.709 0.094 171 3HG2 THR 21 HG23 THR 21 -13.885 5.053 -0.488 172 H ARG 22 HN ARG 22 -10.779 4.103 3.552 173 HA ARG 22 HA ARG 22 -12.133 3.780 6.103 174 1HB ARG 22 HB1 ARG 22 -9.748 2.834 5.131 175 2HB ARG 22 HB2 ARG 22 -9.222 4.180 6.133 176 1HG ARG 22 HG2 ARG 22 -9.178 2.375 7.585 177 2HG ARG 22 HG1 ARG 22 -10.725 3.145 7.944 178 1HD ARG 22 HD2 ARG 22 -10.480 0.891 5.974 179 2HD ARG 22 HD1 ARG 22 -10.708 0.606 7.699 180 HE ARG 22 HE ARG 22 -12.618 2.204 6.126 181 1HH1 ARG 22 HH21 ARG 22 -11.899 -0.392 8.337 182 2HH1 ARG 22 HH22 ARG 22 -13.563 -0.754 8.652 183 1HH2 ARG 22 HH11 ARG 22 -14.808 1.735 6.535 184 2HH2 ARG 22 HH12 ARG 22 -15.217 0.455 7.629 185 H LYS 23 HN LYS 23 -10.272 5.129 7.745 186 HA LYS 23 HA LYS 23 -10.326 7.918 6.940 187 1HB LYS 23 HB1 LYS 23 -12.542 7.618 7.903 188 2HB LYS 23 HB2 LYS 23 -11.845 6.898 9.348 189 1HG LYS 23 HG2 LYS 23 -10.604 9.142 9.602 190 2HG LYS 23 HG1 LYS 23 -11.801 9.753 8.457 191 1HD LYS 23 HD2 LYS 23 -12.740 8.197 10.817 192 2HD LYS 23 HD1 LYS 23 -12.223 9.868 11.053 193 1HE LYS 23 HE1 LYS 23 -14.002 9.464 8.760 194 2HE LYS 23 HE2 LYS 23 -14.733 9.091 10.321 195 1HZ LYS 23 HZ1 LYS 23 -13.273 11.619 9.863 196 2HZ LYS 23 HZ2 LYS 23 -14.394 11.255 11.077 197 3HZ LYS 23 HZ3 LYS 23 -14.914 11.464 9.481 198 H CYS 24 HN CYS 24 -8.920 9.220 8.077 199 HA CYS 24 HA CYS 24 -6.948 7.784 9.688 200 1HB CYS 24 HB1 CYS 24 -5.626 8.906 8.241 201 2HB CYS 24 HB2 CYS 24 -6.887 10.059 7.832 202 HG CYS 24 HG CYS 24 -4.619 10.901 9.272 203 H VAL 25 HN VAL 25 -6.873 8.023 11.818 204 HA VAL 25 HA VAL 25 -8.733 9.665 13.194 205 HB VAL 25 HB VAL 25 -6.344 8.553 14.598 206 1HG1 VAL 25 HG11 VAL 25 -8.868 9.602 15.319 207 2HG1 VAL 25 HG12 VAL 25 -7.610 8.961 16.374 208 3HG1 VAL 25 HG13 VAL 25 -8.865 7.892 15.749 209 1HG2 VAL 25 HG21 VAL 25 -7.677 6.993 12.766 210 2HG2 VAL 25 HG22 VAL 25 -8.498 6.620 14.283 211 3HG2 VAL 25 HG23 VAL 25 -6.754 6.403 14.149 212 H CYS 26 HN CYS 26 -5.537 10.197 12.043 213 HA CYS 26 HA CYS 26 -4.772 12.235 13.873 214 1HB CYS 26 HB2 CYS 26 -3.300 10.869 12.229 215 2HB CYS 26 HB1 CYS 26 -3.767 12.083 11.044 216 HG CYS 26 HG CYS 26 -1.683 12.437 13.182 217 H GLY 27 HN GLY 27 -6.777 12.158 11.045 218 1HA GLY 27 HA1 GLY 27 -8.375 14.123 11.108 219 2HA GLY 27 HA2 GLY 27 -6.920 15.106 11.068 220 H ARG 28 HN ARG 28 -7.935 12.208 9.244 221 HA ARG 28 HA ARG 28 -8.245 13.689 6.788 222 1HB ARG 28 HB1 ARG 28 -6.177 11.540 6.613 223 2HB ARG 28 HB2 ARG 28 -6.413 12.945 5.591 224 1HG ARG 28 HG2 ARG 28 -5.511 14.363 7.414 225 2HG ARG 28 HG1 ARG 28 -5.153 12.890 8.318 226 1HD ARG 28 HD1 ARG 28 -3.184 13.705 7.123 227 2HD ARG 28 HD2 ARG 28 -3.694 12.127 6.526 228 HE ARG 28 HE ARG 28 -4.148 13.077 4.490 229 1HH1 ARG 28 HH22 ARG 28 -3.754 15.593 6.868 230 2HH1 ARG 28 HH21 ARG 28 -3.770 16.874 5.703 231 1HH2 ARG 28 HH11 ARG 28 -4.170 14.756 2.949 232 2HH2 ARG 28 HH12 ARG 28 -4.005 16.398 3.475 233 H THR 29 HN THR 29 -7.884 11.567 5.009 234 HA THR 29 HA THR 29 -9.621 9.425 5.998 235 HB THR 29 HB THR 29 -10.101 10.928 3.417 236 HG1 THR 29 HG1 THR 29 -11.425 12.118 4.505 237 1HG2 THR 29 HG21 THR 29 -12.059 9.048 4.626 238 2HG2 THR 29 HG22 THR 29 -10.737 8.413 3.647 239 3HG2 THR 29 HG23 THR 29 -11.875 9.568 2.951 240 H VAL 30 HN VAL 30 -9.158 7.435 5.182 241 HA VAL 30 HA VAL 30 -6.845 7.294 3.384 242 HB VAL 30 HB VAL 30 -7.952 5.005 4.990 243 1HG1 VAL 30 HG21 VAL 30 -6.264 4.747 3.057 244 2HG1 VAL 30 HG22 VAL 30 -5.911 3.957 4.594 245 3HG1 VAL 30 HG23 VAL 30 -5.107 5.470 4.174 246 1HG2 VAL 30 HG11 VAL 30 -7.513 6.469 6.712 247 2HG2 VAL 30 HG12 VAL 30 -6.219 7.280 5.830 248 3HG2 VAL 30 HG13 VAL 30 -5.947 5.681 6.523 249 H ASN 31 HN ASN 31 -7.310 7.014 1.336 250 HA ASN 31 HA ASN 31 -9.737 5.575 0.556 251 1HB ASN 31 HB1 ASN 31 -8.599 7.877 -0.426 252 2HB ASN 31 HB2 ASN 31 -8.061 6.669 -1.591 253 1HD2 ASN 31 HD21 ASN 31 -9.500 5.783 -2.984 254 2HD2 ASN 31 HD22 ASN 31 -11.153 6.270 -3.099 255 H VAL 32 HN VAL 32 -9.633 3.480 0.042 256 HA VAL 32 HA VAL 32 -7.165 2.102 -0.203 257 HB VAL 32 HB VAL 32 -8.364 0.128 -0.497 258 1HG1 VAL 32 HG11 VAL 32 -10.579 0.755 0.962 259 2HG1 VAL 32 HG12 VAL 32 -9.516 2.119 1.309 260 3HG1 VAL 32 HG13 VAL 32 -8.970 0.472 1.629 261 1HG2 VAL 32 HG21 VAL 32 -10.664 1.784 -1.518 262 2HG2 VAL 32 HG22 VAL 32 -10.757 0.056 -1.162 263 3HG2 VAL 32 HG23 VAL 32 -9.678 0.641 -2.430 264 H LYS 33 HN LYS 33 -7.329 0.394 -2.305 265 HA LYS 33 HA LYS 33 -6.222 1.864 -4.397 266 1HB LYS 33 HB2 LYS 33 -6.588 -0.841 -3.788 267 2HB LYS 33 HB1 LYS 33 -7.395 -0.615 -5.334 268 1HG LYS 33 HG2 LYS 33 -4.883 0.723 -5.413 269 2HG LYS 33 HG1 LYS 33 -4.639 -0.923 -4.825 270 1HD LYS 33 HD1 LYS 33 -6.439 -0.584 -7.151 271 2HD LYS 33 HD2 LYS 33 -4.717 -0.308 -7.425 272 1HE LYS 33 HE2 LYS 33 -5.168 -2.603 -7.893 273 2HE LYS 33 HE1 LYS 33 -4.271 -2.528 -6.377 274 1HZ LYS 33 HZ1 LYS 33 -6.068 -4.076 -6.164 275 2HZ LYS 33 HZ2 LYS 33 -7.197 -2.928 -6.681 276 3HZ LYS 33 HZ3 LYS 33 -6.408 -2.729 -5.198 277 H ASP 34 HN ASP 34 -7.192 1.304 -6.776 278 HA ASP 34 HA ASP 34 -9.673 2.820 -6.861 279 1HB ASP 34 HB1 ASP 34 -7.429 2.325 -8.676 280 2HB ASP 34 HB2 ASP 34 -8.994 2.251 -9.478 281 H ARG 35 HN ARG 35 -8.413 -0.307 -7.945 282 HA ARG 35 HA ARG 35 -11.041 -1.159 -8.826 283 1HB ARG 35 HB2 ARG 35 -8.359 -2.544 -8.751 284 2HB ARG 35 HB1 ARG 35 -9.834 -3.332 -9.294 285 1HG ARG 35 HG1 ARG 35 -8.841 -0.782 -10.526 286 2HG ARG 35 HG2 ARG 35 -8.306 -2.371 -11.076 287 1HD ARG 35 HD1 ARG 35 -11.052 -2.618 -10.962 288 2HD ARG 35 HD2 ARG 35 -10.811 -0.976 -11.557 289 HE ARG 35 HE ARG 35 -9.559 -3.316 -12.841 290 1HH1 ARG 35 HH11 ARG 35 -11.359 -0.335 -12.996 291 2HH1 ARG 35 HH12 ARG 35 -11.405 -0.303 -14.727 292 1HH2 ARG 35 HH21 ARG 35 -9.616 -3.282 -15.119 293 2HH2 ARG 35 HH22 ARG 35 -10.415 -1.979 -15.934 294 H ARG 36 HN ARG 36 -9.273 -3.676 -7.387 295 HA ARG 36 HA ARG 36 -11.318 -4.093 -5.416 296 1HB ARG 36 HB2 ARG 36 -8.748 -5.641 -5.522 297 2HB ARG 36 HB1 ARG 36 -10.352 -6.192 -5.057 298 1HG ARG 36 HG2 ARG 36 -10.968 -5.719 -7.525 299 2HG ARG 36 HG1 ARG 36 -9.223 -5.761 -7.790 300 1HD ARG 36 HD1 ARG 36 -9.407 -7.997 -6.414 301 2HD ARG 36 HD2 ARG 36 -11.078 -7.943 -6.974 302 HE ARG 36 HE ARG 36 -8.779 -8.599 -8.520 303 1HH1 ARG 36 HH12 ARG 36 -11.922 -7.099 -8.693 304 2HH1 ARG 36 HH11 ARG 36 -12.129 -7.432 -10.380 305 1HH2 ARG 36 HH21 ARG 36 -9.047 -9.041 -10.741 306 2HH2 ARG 36 HH22 ARG 36 -10.496 -8.535 -11.544 307 H ILE 37 HN ILE 37 -8.007 -4.726 -4.545 308 HA ILE 37 HA ILE 37 -7.805 -2.455 -2.753 309 HB ILE 37 HB ILE 37 -8.735 -5.052 -1.827 310 1HG1 ILE 37 HG12 ILE 37 -9.630 -2.679 -1.403 311 2HG1 ILE 37 HG11 ILE 37 -9.606 -3.797 -0.044 312 1HG2 ILE 37 HG21 ILE 37 -6.419 -3.893 -0.286 313 2HG2 ILE 37 HG22 ILE 37 -6.303 -5.308 -1.334 314 3HG2 ILE 37 HG23 ILE 37 -7.342 -5.348 0.090 315 1HD1 ILE 37 HD11 ILE 37 -8.876 -1.546 0.572 316 2HD1 ILE 37 HD12 ILE 37 -7.540 -1.677 -0.574 317 3HD1 ILE 37 HD13 ILE 37 -7.612 -2.751 0.823 318 H PHE 38 HN PHE 38 -5.700 -2.212 -1.868 319 HA PHE 38 HA PHE 38 -3.650 -3.567 -3.437 320 1HB PHE 38 HB1 PHE 38 -3.878 -0.972 -2.839 321 2HB PHE 38 HB2 PHE 38 -2.953 -1.478 -1.429 322 HD1 PHE 38 HD1 PHE 38 -2.863 -0.729 -4.947 323 HD2 PHE 38 HD2 PHE 38 -0.724 -2.552 -1.751 324 HE1 PHE 38 HE1 PHE 38 -0.793 -0.616 -6.272 325 HE2 PHE 38 HE2 PHE 38 1.349 -2.443 -3.070 326 HZ PHE 38 HZ PHE 38 1.317 -1.473 -5.334 327 H GLY 39 HN GLY 39 -1.892 -4.652 -2.496 328 1HA GLY 39 HA1 GLY 39 -1.015 -6.227 -1.070 329 2HA GLY 39 HA2 GLY 39 -1.240 -4.971 0.136 330 H ARG 40 HN ARG 40 -2.533 -7.902 -1.237 331 HA ARG 40 HA ARG 40 -4.715 -7.958 0.703 332 1HB ARG 40 HB1 ARG 40 -4.965 -8.691 -1.740 333 2HB ARG 40 HB2 ARG 40 -4.033 -10.107 -1.283 334 1HG ARG 40 HG2 ARG 40 -6.364 -10.651 -1.232 335 2HG ARG 40 HG1 ARG 40 -5.734 -10.648 0.416 336 1HD ARG 40 HD1 ARG 40 -7.003 -8.897 1.039 337 2HD ARG 40 HD2 ARG 40 -6.819 -8.080 -0.512 338 HE ARG 40 HE ARG 40 -8.888 -9.982 0.231 339 1HH1 ARG 40 HH11 ARG 40 -7.349 -8.126 -2.286 340 2HH1 ARG 40 HH12 ARG 40 -8.696 -8.238 -3.369 341 1HH2 ARG 40 HH22 ARG 40 -10.665 -10.133 -1.189 342 2HH2 ARG 40 HH21 ARG 40 -10.581 -9.379 -2.744 343 H ALA 41 HN ALA 41 -3.621 -8.212 2.619 344 HA ALA 41 HA ALA 41 -1.763 -10.438 2.902 345 1HB ALA 41 HB1 ALA 41 -0.986 -8.413 3.851 346 2HB ALA 41 HB2 ALA 41 -1.423 -9.472 5.196 347 3HB ALA 41 HB3 ALA 41 -2.501 -8.156 4.718 348 H ASP 42 HN ASP 42 -2.472 -12.362 3.494 349 HA ASP 42 HA ASP 42 -5.056 -12.678 4.763 350 1HB ASP 42 HB1 ASP 42 -3.413 -14.282 3.117 351 2HB ASP 42 HB2 ASP 42 -3.523 -15.116 4.664 352 H ASP 43 HN ASP 43 -1.657 -12.939 5.576 353 HA ASP 43 HA ASP 43 -2.239 -13.890 8.266 354 1HB ASP 43 HB1 ASP 43 0.047 -13.928 6.509 355 2HB ASP 43 HB2 ASP 43 0.491 -13.206 8.053 356 H PHE 44 HN PHE 44 -2.299 -12.633 10.039 357 HA PHE 44 HA PHE 44 -2.552 -9.859 9.879 358 1HB PHE 44 HB1 PHE 44 -3.515 -10.812 11.777 359 2HB PHE 44 HB2 PHE 44 -2.084 -11.766 12.148 360 HD1 PHE 44 HD1 PHE 44 -3.342 -8.272 12.059 361 HD2 PHE 44 HD2 PHE 44 -0.557 -11.023 13.730 362 HE1 PHE 44 HE1 PHE 44 -2.626 -6.561 13.676 363 HE2 PHE 44 HE2 PHE 44 0.163 -9.317 15.349 364 HZ PHE 44 HZ PHE 44 -0.872 -7.082 15.323 365 H GLU 45 HN GLU 45 0.248 -11.877 10.598 366 HA GLU 45 HA GLU 45 1.998 -9.769 11.328 367 1HB GLU 45 HB1 GLU 45 2.175 -12.632 10.864 368 2HB GLU 45 HB2 GLU 45 3.583 -11.788 10.236 369 1HG GLU 45 HG2 GLU 45 4.378 -11.966 12.307 370 2HG GLU 45 HG1 GLU 45 3.288 -10.632 12.684 371 H GLU 46 HN GLU 46 1.215 -11.334 8.268 372 HA GLU 46 HA GLU 46 3.209 -10.022 6.729 373 1HB GLU 46 HB2 GLU 46 2.020 -12.108 6.036 374 2HB GLU 46 HB1 GLU 46 0.566 -11.152 5.786 375 1HG GLU 46 HG2 GLU 46 1.285 -10.331 3.830 376 2HG GLU 46 HG1 GLU 46 2.947 -10.157 4.393 377 H ALA 47 HN ALA 47 0.090 -9.124 7.903 378 HA ALA 47 HA ALA 47 -0.610 -7.110 6.085 379 1HB ALA 47 HB1 ALA 47 -1.480 -6.287 8.629 380 2HB ALA 47 HB2 ALA 47 -1.521 -8.050 8.632 381 3HB ALA 47 HB3 ALA 47 -2.400 -7.149 7.397 382 H SER 48 HN SER 48 1.200 -6.918 9.136 383 HA SER 48 HA SER 48 1.666 -4.160 9.107 384 1HB SER 48 HB2 SER 48 3.075 -6.477 10.411 385 2HB SER 48 HB1 SER 48 3.695 -4.834 10.575 386 HG SER 48 HG SER 48 0.993 -5.409 11.119 387 H GLU 49 HN GLU 49 3.654 -6.828 7.843 388 HA GLU 49 HA GLU 49 5.807 -5.206 7.043 389 1HB GLU 49 HB1 GLU 49 6.709 -7.133 6.110 390 2HB GLU 49 HB2 GLU 49 5.695 -7.757 7.395 391 1HG GLU 49 HG1 GLU 49 4.326 -8.819 5.976 392 2HG GLU 49 HG2 GLU 49 4.382 -7.522 4.783 393 H LEU 50 HN LEU 50 2.852 -6.182 5.431 394 HA LEU 50 HA LEU 50 3.600 -5.361 2.822 395 1HB LEU 50 HB1 LEU 50 1.286 -6.453 4.111 396 2HB LEU 50 HB2 LEU 50 0.799 -5.090 3.123 397 HG LEU 50 HG LEU 50 1.894 -6.135 1.169 398 1HD1 LEU 50 HD21 LEU 50 3.328 -7.571 2.961 399 2HD1 LEU 50 HD22 LEU 50 3.146 -7.997 1.259 400 3HD1 LEU 50 HD23 LEU 50 2.116 -8.756 2.472 401 1HD2 LEU 50 HD11 LEU 50 0.246 -7.855 0.807 402 2HD2 LEU 50 HD12 LEU 50 -0.496 -6.504 1.664 403 3HD2 LEU 50 HD13 LEU 50 -0.063 -7.972 2.539 404 H VAL 51 HN VAL 51 1.792 -3.777 5.422 405 HA VAL 51 HA VAL 51 1.242 -1.381 4.065 406 HB VAL 51 HB VAL 51 1.558 -1.879 7.026 407 1HG1 VAL 51 HG21 VAL 51 0.975 0.240 7.479 408 2HG1 VAL 51 HG22 VAL 51 -0.162 0.320 6.133 409 3HG1 VAL 51 HG23 VAL 51 1.560 0.570 5.848 410 1HG2 VAL 51 HG11 VAL 51 -1.083 -1.564 6.620 411 2HG2 VAL 51 HG12 VAL 51 -0.272 -3.130 6.606 412 3HG2 VAL 51 HG13 VAL 51 -0.620 -2.304 5.087 413 H ARG 52 HN ARG 52 3.972 -2.355 6.110 414 HA ARG 52 HA ARG 52 5.238 0.156 6.226 415 1HB ARG 52 HB2 ARG 52 5.821 -1.753 7.694 416 2HB ARG 52 HB1 ARG 52 6.515 -2.587 6.310 417 1HG ARG 52 HG2 ARG 52 8.336 -1.178 6.202 418 2HG ARG 52 HG1 ARG 52 7.506 0.128 7.051 419 1HD ARG 52 HD1 ARG 52 7.750 -0.925 9.136 420 2HD ARG 52 HD2 ARG 52 8.161 -2.474 8.399 421 HE ARG 52 HE ARG 52 10.025 -0.351 7.827 422 1HH1 ARG 52 HH11 ARG 52 9.167 -2.927 10.011 423 2HH1 ARG 52 HH12 ARG 52 10.773 -3.105 10.636 424 1HH2 ARG 52 HH22 ARG 52 12.142 -0.580 8.642 425 2HH2 ARG 52 HH21 ARG 52 12.464 -1.771 9.857 426 H LYS 53 HN LYS 53 5.467 -2.506 3.920 427 HA LYS 53 HA LYS 53 7.516 -1.318 2.329 428 1HB LYS 53 HB2 LYS 53 6.995 -3.744 2.281 429 2HB LYS 53 HB1 LYS 53 5.436 -3.378 1.554 430 1HG LYS 53 HG2 LYS 53 6.694 -2.308 -0.343 431 2HG LYS 53 HG1 LYS 53 8.165 -2.988 0.356 432 1HD LYS 53 HD2 LYS 53 7.015 -5.240 0.255 433 2HD LYS 53 HD1 LYS 53 5.774 -4.459 -0.729 434 1HE LYS 53 HE1 LYS 53 7.113 -5.148 -2.418 435 2HE LYS 53 HE2 LYS 53 7.944 -3.637 -2.052 436 1HZ LYS 53 HZ1 LYS 53 8.702 -6.370 -1.197 437 2HZ LYS 53 HZ2 LYS 53 9.390 -4.977 -0.528 438 3HZ LYS 53 HZ3 LYS 53 9.584 -5.308 -2.176 439 H LEU 54 HN LEU 54 4.038 -1.164 2.473 440 HA LEU 54 HA LEU 54 3.611 0.146 -0.015 441 1HB LEU 54 HB1 LEU 54 2.040 -0.716 2.250 442 2HB LEU 54 HB2 LEU 54 1.557 0.891 1.747 443 HG LEU 54 HG LEU 54 0.204 -0.877 0.693 444 1HD1 LEU 54 HD11 LEU 54 0.182 0.046 -1.466 445 2HD1 LEU 54 HD12 LEU 54 1.900 0.438 -1.405 446 3HD1 LEU 54 HD13 LEU 54 0.754 1.339 -0.413 447 1HD2 LEU 54 HD21 LEU 54 1.123 -2.735 -0.082 448 2HD2 LEU 54 HD22 LEU 54 2.722 -2.113 0.326 449 3HD2 LEU 54 HD23 LEU 54 2.036 -1.805 -1.270 450 H GLN 55 HN GLN 55 4.975 1.180 2.898 451 HA GLN 55 HA GLN 55 4.072 3.854 2.997 452 1HB GLN 55 HB1 GLN 55 6.376 2.360 4.169 453 2HB GLN 55 HB2 GLN 55 6.384 4.115 4.239 454 1HG GLN 55 HG1 GLN 55 4.120 3.983 5.311 455 2HG GLN 55 HG2 GLN 55 4.359 2.239 5.424 456 1HE2 GLN 55 HE22 GLN 55 4.594 5.038 7.088 457 2HE2 GLN 55 HE21 GLN 55 5.783 4.590 8.259 458 H GLU 56 HN GLU 56 6.418 5.370 3.120 459 HA GLU 56 HA GLU 56 6.791 5.952 0.340 460 1HB GLU 56 HB1 GLU 56 6.717 7.595 2.341 461 2HB GLU 56 HB2 GLU 56 8.408 7.164 2.566 462 1HG GLU 56 HG1 GLU 56 9.030 8.072 0.496 463 2HG GLU 56 HG2 GLU 56 7.360 8.152 -0.064 464 H GLU 57 HN GLU 57 7.792 4.067 -0.470 465 HA GLU 57 HA GLU 57 10.311 3.161 0.566 466 1HB GLU 57 HB1 GLU 57 8.534 1.789 -0.702 467 2HB GLU 57 HB2 GLU 57 9.214 2.500 -2.159 468 1HG GLU 57 HG2 GLU 57 10.589 0.753 -2.163 469 2HG GLU 57 HG1 GLU 57 11.443 1.589 -0.867 470 H LYS 58 HN LYS 58 12.291 3.089 -0.738 471 HA LYS 58 HA LYS 58 12.870 5.680 -1.821 472 1HB LYS 58 HB1 LYS 58 14.690 3.274 -1.714 473 2HB LYS 58 HB2 LYS 58 15.166 4.959 -1.878 474 1HG LYS 58 HG1 LYS 58 14.832 5.417 0.336 475 2HG LYS 58 HG2 LYS 58 13.611 4.157 0.525 476 1HD LYS 58 HD2 LYS 58 15.248 2.447 0.581 477 2HD LYS 58 HD1 LYS 58 16.514 3.545 0.029 478 1HE LYS 58 HE1 LYS 58 15.049 3.851 2.643 479 2HE LYS 58 HE2 LYS 58 16.582 2.998 2.473 480 1HZ LYS 58 HZ1 LYS 58 17.690 4.907 2.442 481 2HZ LYS 58 HZ2 LYS 58 16.262 5.673 2.925 482 3HZ LYS 58 HZ3 LYS 58 16.665 5.591 1.284 483 H TYR 59 HN TYR 59 11.115 3.633 -3.240 484 HA TYR 59 HA TYR 59 12.591 3.225 -5.719 485 1HB TYR 59 HB2 TYR 59 10.187 2.082 -4.480 486 2HB TYR 59 HB1 TYR 59 10.025 2.369 -6.209 487 HD1 TYR 59 HD1 TYR 59 11.923 0.537 -3.637 488 HD2 TYR 59 HD2 TYR 59 11.228 1.048 -7.803 489 HE1 TYR 59 HE1 TYR 59 13.162 -1.538 -4.093 490 HE2 TYR 59 HE2 TYR 59 12.463 -1.026 -8.271 491 HH TYR 59 HH TYR 59 13.221 -3.280 -5.932 492 H GLY 60 HN GLY 60 12.818 5.218 -6.656 493 1HA GLY 60 HA2 GLY 60 11.017 6.220 -8.397 494 2HA GLY 60 HA1 GLY 60 10.559 7.010 -6.896 495 H SER 61 HN SER 61 13.879 6.283 -7.174 496 HA SER 61 HA SER 61 14.493 9.115 -7.408 497 1HB SER 61 HB2 SER 61 16.351 6.772 -6.929 498 2HB SER 61 HB1 SER 61 16.763 8.478 -6.765 499 HG SER 61 HG SER 61 14.604 7.449 -5.304 500 H CYS 62 HN CYS 62 15.426 6.080 -9.017 501 HA CYS 62 HA CYS 62 15.508 7.379 -11.576 502 1HB CYS 62 HB1 CYS 62 17.840 7.570 -10.145 503 2HB CYS 62 HB2 CYS 62 18.107 6.099 -11.075 504 HG CYS 62 HG CYS 62 18.125 7.420 -13.213 505 H HIS 63 HN HIS 63 15.331 4.692 -9.577 506 HA HIS 63 HA HIS 63 14.819 2.508 -9.925 507 1HB HIS 63 HB2 HIS 63 13.537 3.839 -11.943 508 2HB HIS 63 HB1 HIS 63 14.504 2.674 -12.843 509 HD2 HIS 63 HD2 HIS 63 11.714 2.651 -10.076 510 HE1 HIS 63 HE1 HIS 63 11.804 -1.081 -12.071 511 HE2 HIS 63 HE2 HIS 63 10.591 0.327 -10.345 512 H PHE 64 HN PHE 64 15.667 0.512 -10.762 513 HA PHE 64 HA PHE 64 18.477 0.734 -11.403 514 1HB PHE 64 HB1 PHE 64 17.592 -0.917 -9.742 515 2HB PHE 64 HB2 PHE 64 16.807 -1.767 -11.069 516 HD1 PHE 64 HD1 PHE 64 17.960 -3.375 -12.292 517 HD2 PHE 64 HD2 PHE 64 20.125 -0.661 -9.831 518 HE1 PHE 64 HE1 PHE 64 20.018 -4.667 -12.684 519 HE2 PHE 64 HE2 PHE 64 22.187 -1.945 -10.220 520 HZ PHE 64 HZ PHE 64 22.135 -3.951 -11.648 521 H THR 65 HN THR 65 18.773 1.343 -13.491 522 HA THR 65 HA THR 65 17.350 -0.100 -15.602 523 HB THR 65 HB THR 65 18.904 1.712 -16.913 524 HG1 THR 65 HG1 THR 65 18.945 3.590 -15.707 525 1HG2 THR 65 HG21 THR 65 16.674 3.201 -16.098 526 2HG2 THR 65 HG22 THR 65 16.155 1.519 -16.188 527 3HG2 THR 65 HG23 THR 65 16.890 2.291 -17.593 528 H ASN 66 HN ASN 66 18.916 -0.268 -17.672 529 HA ASN 66 HA ASN 66 20.960 -2.154 -16.851 530 1HB ASN 66 HB2 ASN 66 19.297 -1.765 -19.171 531 2HB ASN 66 HB1 ASN 66 20.987 -1.882 -19.656 532 1HD2 ASN 66 HD21 ASN 66 21.110 -3.866 -20.481 533 2HD2 ASN 66 HD22 ASN 66 20.705 -5.319 -19.639 534 HA PRO 67 HA PRO 67 24.373 0.620 -17.282 535 1HB PRO 67 HB2 PRO 67 26.339 -1.139 -17.966 536 2HB PRO 67 HB1 PRO 67 25.709 -0.975 -16.323 537 1HG PRO 67 HG2 PRO 67 25.034 -3.003 -18.421 538 2HG PRO 67 HG1 PRO 67 25.312 -3.238 -16.685 539 1HD PRO 67 HD2 PRO 67 22.831 -3.147 -17.748 540 2HD PRO 67 HD1 PRO 67 23.187 -2.530 -16.121 541 H SER 68 HN SER 68 23.908 -1.773 -19.861 542 HA SER 68 HA SER 68 25.314 -0.150 -21.797 543 1HB SER 68 HB2 SER 68 23.818 -2.184 -23.098 544 2HB SER 68 HB1 SER 68 25.554 -2.146 -22.787 545 HG SER 68 HG SER 68 23.534 -3.490 -21.445 546 H LYS 69 HN LYS 69 22.404 0.165 -20.401 547 HA LYS 69 HA LYS 69 20.866 0.808 -22.780 548 1HB LYS 69 HB2 LYS 69 19.940 -0.293 -20.647 549 2HB LYS 69 HB1 LYS 69 20.022 1.312 -19.933 550 1HG LYS 69 HG1 LYS 69 18.015 1.721 -20.765 551 2HG LYS 69 HG2 LYS 69 18.716 1.647 -22.383 552 1HD LYS 69 HD2 LYS 69 17.902 -0.428 -22.786 553 2HD LYS 69 HD1 LYS 69 18.100 -0.946 -21.111 554 1HE LYS 69 HE2 LYS 69 15.971 0.984 -22.009 555 2HE LYS 69 HE1 LYS 69 15.722 -0.759 -21.917 556 1HZ LYS 69 HZ1 LYS 69 15.359 -0.593 -19.753 557 2HZ LYS 69 HZ2 LYS 69 15.464 1.090 -19.872 558 3HZ LYS 69 HZ3 LYS 69 16.841 0.182 -19.501 559 H ARG 70 HN ARG 70 21.607 2.626 -23.736 560 HA ARG 70 HA ARG 70 22.408 4.925 -22.181 561 1HB ARG 70 HB2 ARG 70 23.516 4.231 -24.332 562 2HB ARG 70 HB1 ARG 70 22.056 4.729 -25.176 563 1HG ARG 70 HG1 ARG 70 22.363 7.012 -24.297 564 2HG ARG 70 HG2 ARG 70 23.871 6.492 -23.543 565 1HD ARG 70 HD2 ARG 70 24.859 6.031 -25.665 566 2HD ARG 70 HD1 ARG 70 23.320 6.264 -26.494 567 HE ARG 70 HE ARG 70 23.692 8.657 -25.359 568 1HH1 ARG 70 HH11 ARG 70 25.830 6.628 -27.219 569 2HH1 ARG 70 HH12 ARG 70 26.724 7.956 -27.879 570 1HH2 ARG 70 HH21 ARG 70 24.863 10.410 -26.223 571 2HH2 ARG 70 HH22 ARG 70 26.174 10.105 -27.312 572 H GLU 71 HN GLU 71 20.615 5.692 -21.120 573 HA GLU 71 HA GLU 71 18.209 6.311 -22.638 574 1HB GLU 71 HB1 GLU 71 17.370 7.082 -20.371 575 2HB GLU 71 HB2 GLU 71 17.760 5.372 -20.507 576 1HG GLU 71 HG2 GLU 71 20.126 6.443 -19.651 577 2HG GLU 71 HG1 GLU 71 18.933 7.441 -18.820 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -9.368 -13.497 6.826 2 2H MET 1 HT2 MET 1 -10.372 -12.219 6.278 3 3H MET 1 HT3 MET 1 -9.439 -12.024 7.704 4 HA MET 1 HA MET 1 -7.458 -12.451 6.231 5 1HB MET 1 HB1 MET 1 -9.371 -11.449 4.131 6 2HB MET 1 HB2 MET 1 -7.744 -12.078 3.911 7 1HG MET 1 HG1 MET 1 -8.494 -14.307 4.468 8 2HG MET 1 HG2 MET 1 -10.115 -13.702 4.804 9 1HE MET 1 HE1 MET 1 -9.058 -16.016 3.069 10 2HE MET 1 HE2 MET 1 -9.536 -15.908 1.375 11 3HE MET 1 HE3 MET 1 -10.765 -15.908 2.639 12 H TYR 2 HN TYR 2 -6.516 -10.437 5.071 13 HA TYR 2 HA TYR 2 -7.688 -7.979 6.177 14 1HB TYR 2 HB2 TYR 2 -5.073 -9.181 6.795 15 2HB TYR 2 HB1 TYR 2 -5.001 -7.476 6.359 16 HD1 TYR 2 HD1 TYR 2 -5.118 -5.972 8.089 17 HD2 TYR 2 HD2 TYR 2 -7.097 -9.714 8.510 18 HE1 TYR 2 HE1 TYR 2 -5.794 -5.351 10.370 19 HE2 TYR 2 HE2 TYR 2 -7.780 -9.105 10.792 20 HH TYR 2 HH TYR 2 -7.111 -7.604 12.576 21 H ILE 3 HN ILE 3 -6.993 -6.028 5.124 22 HA ILE 3 HA ILE 3 -5.920 -6.428 2.407 23 HB ILE 3 HB ILE 3 -7.476 -4.550 1.712 24 1HG1 ILE 3 HG11 ILE 3 -9.230 -5.313 4.004 25 2HG1 ILE 3 HG12 ILE 3 -7.945 -4.146 4.297 26 1HG2 ILE 3 HG21 ILE 3 -9.069 -6.922 2.591 27 2HG2 ILE 3 HG22 ILE 3 -7.788 -7.100 1.390 28 3HG2 ILE 3 HG23 ILE 3 -9.146 -6.017 1.077 29 1HD1 ILE 3 HD11 ILE 3 -8.841 -2.715 2.540 30 2HD1 ILE 3 HD12 ILE 3 -10.041 -3.040 3.792 31 3HD1 ILE 3 HD13 ILE 3 -10.128 -3.885 2.245 32 H ILE 4 HN ILE 4 -5.022 -4.424 1.446 33 HA ILE 4 HA ILE 4 -4.141 -2.492 3.488 34 HB ILE 4 HB ILE 4 -2.502 -3.963 1.473 35 1HG1 ILE 4 HG12 ILE 4 -0.925 -3.397 3.621 36 2HG1 ILE 4 HG11 ILE 4 -2.517 -3.398 4.373 37 1HG2 ILE 4 HG21 ILE 4 -1.655 -2.033 0.689 38 2HG2 ILE 4 HG22 ILE 4 -0.771 -2.017 2.217 39 3HG2 ILE 4 HG23 ILE 4 -2.263 -1.092 2.051 40 1HD1 ILE 4 HD11 ILE 4 -1.050 -5.629 3.053 41 2HD1 ILE 4 HD12 ILE 4 -2.811 -5.661 3.155 42 3HD1 ILE 4 HD13 ILE 4 -1.845 -5.577 4.627 43 H PHE 5 HN PHE 5 -3.860 -0.339 2.779 44 HA PHE 5 HA PHE 5 -4.749 0.324 0.075 45 1HB PHE 5 HB1 PHE 5 -6.147 2.181 1.510 46 2HB PHE 5 HB2 PHE 5 -6.831 0.710 0.836 47 HD1 PHE 5 HD1 PHE 5 -7.210 -1.260 2.273 48 HD2 PHE 5 HD2 PHE 5 -5.919 2.474 3.844 49 HE1 PHE 5 HE1 PHE 5 -7.882 -1.979 4.529 50 HE2 PHE 5 HE2 PHE 5 -6.589 1.764 6.096 51 HZ PHE 5 HZ PHE 5 -7.569 -0.460 6.442 52 H ARG 6 HN ARG 6 -5.044 3.100 0.465 53 HA ARG 6 HA ARG 6 -2.518 3.964 1.663 54 1HB ARG 6 HB2 ARG 6 -3.189 4.026 -1.239 55 2HB ARG 6 HB1 ARG 6 -2.316 5.398 -0.571 56 1HG ARG 6 HG1 ARG 6 -0.493 4.040 0.084 57 2HG ARG 6 HG2 ARG 6 -1.401 2.557 -0.225 58 1HD ARG 6 HD1 ARG 6 0.322 3.234 -1.967 59 2HD ARG 6 HD2 ARG 6 -1.295 2.845 -2.551 60 HE ARG 6 HE ARG 6 -1.567 5.035 -3.197 61 1HH1 ARG 6 HH22 ARG 6 1.281 4.743 -1.209 62 2HH1 ARG 6 HH21 ARG 6 1.843 6.345 -1.554 63 1HH2 ARG 6 HH12 ARG 6 -0.835 7.144 -3.656 64 2HH2 ARG 6 HH11 ARG 6 0.640 7.710 -2.944 65 H CYS 7 HN CYS 7 -2.883 5.687 2.883 66 HA CYS 7 HA CYS 7 -5.306 7.201 2.634 67 1HB CYS 7 HB2 CYS 7 -4.184 6.656 4.830 68 2HB CYS 7 HB1 CYS 7 -2.939 7.824 4.400 69 HG CYS 7 HG CYS 7 -5.802 8.928 4.494 70 H ASP 8 HN ASP 8 -5.355 9.536 2.394 71 HA ASP 8 HA ASP 8 -4.073 10.403 0.100 72 1HB ASP 8 HB1 ASP 8 -5.920 11.499 2.032 73 2HB ASP 8 HB2 ASP 8 -4.772 12.730 1.514 74 H CYS 9 HN CYS 9 -2.899 10.335 3.303 75 HA CYS 9 HA CYS 9 -0.951 12.425 3.049 76 1HB CYS 9 HB2 CYS 9 -0.582 10.108 4.903 77 2HB CYS 9 HB1 CYS 9 -0.237 11.814 5.171 78 HG CYS 9 HG CYS 9 -2.298 11.346 6.581 79 H GLY 10 HN GLY 10 -1.319 9.713 1.364 80 1HA GLY 10 HA2 GLY 10 0.113 8.677 -0.135 81 2HA GLY 10 HA1 GLY 10 1.450 9.582 0.563 82 H ARG 11 HN ARG 11 -0.352 8.158 2.977 83 HA ARG 11 HA ARG 11 1.756 6.200 3.444 84 1HB ARG 11 HB2 ARG 11 0.944 6.015 5.666 85 2HB ARG 11 HB1 ARG 11 0.917 7.724 5.259 86 1HG ARG 11 HG1 ARG 11 -1.390 7.801 5.160 87 2HG ARG 11 HG2 ARG 11 -1.538 6.060 4.915 88 1HD ARG 11 HD2 ARG 11 -2.235 6.747 7.170 89 2HD ARG 11 HD1 ARG 11 -0.860 5.645 7.200 90 HE ARG 11 HE ARG 11 -0.615 8.562 7.563 91 1HH1 ARG 11 HH22 ARG 11 0.296 5.288 8.335 92 2HH1 ARG 11 HH21 ARG 11 1.480 5.757 9.508 93 1HH2 ARG 11 HH11 ARG 11 0.942 9.188 9.107 94 2HH2 ARG 11 HH12 ARG 11 1.847 7.974 9.947 95 H ALA 12 HN ALA 12 0.251 4.359 4.968 96 HA ALA 12 HA ALA 12 -1.786 3.220 3.258 97 1HB ALA 12 HB1 ALA 12 0.098 2.352 2.100 98 2HB ALA 12 HB2 ALA 12 -0.555 1.037 3.076 99 3HB ALA 12 HB3 ALA 12 0.893 1.894 3.606 100 H LEU 13 HN LEU 13 -2.866 1.367 4.266 101 HA LEU 13 HA LEU 13 -2.153 0.865 7.052 102 1HB LEU 13 HB1 LEU 13 -4.624 2.254 6.146 103 2HB LEU 13 HB2 LEU 13 -4.746 1.142 7.495 104 HG LEU 13 HG LEU 13 -2.522 2.986 7.817 105 1HD1 LEU 13 HD21 LEU 13 -4.529 4.739 8.429 106 2HD1 LEU 13 HD22 LEU 13 -5.078 4.057 6.898 107 3HD1 LEU 13 HD23 LEU 13 -3.494 4.827 7.003 108 1HD2 LEU 13 HD11 LEU 13 -4.993 2.470 9.466 109 2HD2 LEU 13 HD12 LEU 13 -3.522 3.282 10.004 110 3HD2 LEU 13 HD13 LEU 13 -3.481 1.570 9.583 111 H TYR 14 HN TYR 14 -4.152 -0.615 7.952 112 HA TYR 14 HA TYR 14 -4.714 -2.694 5.950 113 1HB TYR 14 HB2 TYR 14 -4.102 -4.407 7.702 114 2HB TYR 14 HB1 TYR 14 -2.746 -3.503 7.037 115 HD1 TYR 14 HD1 TYR 14 -4.722 -4.194 10.014 116 HD2 TYR 14 HD2 TYR 14 -1.607 -1.791 8.396 117 HE1 TYR 14 HE1 TYR 14 -4.045 -3.552 12.288 118 HE2 TYR 14 HE2 TYR 14 -0.921 -1.142 10.666 119 HH TYR 14 HH TYR 14 -1.279 -2.442 13.140 120 H SER 15 HN SER 15 -6.639 -3.783 6.245 121 HA SER 15 HA SER 15 -8.125 -3.554 8.709 122 1HB SER 15 HB1 SER 15 -8.627 -1.421 7.458 123 2HB SER 15 HB2 SER 15 -9.366 -2.409 6.199 124 HG SER 15 HG SER 15 -11.077 -2.534 7.395 125 H ARG 16 HN ARG 16 -10.595 -4.346 7.939 126 HA ARG 16 HA ARG 16 -10.152 -7.083 7.218 127 1HB ARG 16 HB2 ARG 16 -12.326 -5.481 8.316 128 2HB ARG 16 HB1 ARG 16 -12.894 -6.657 7.138 129 1HG ARG 16 HG2 ARG 16 -11.634 -8.405 8.422 130 2HG ARG 16 HG1 ARG 16 -11.356 -7.184 9.667 131 1HD ARG 16 HD1 ARG 16 -13.963 -6.887 9.488 132 2HD ARG 16 HD2 ARG 16 -13.886 -8.528 8.848 133 HE ARG 16 HE ARG 16 -13.392 -7.692 11.570 134 1HH1 ARG 16 HH11 ARG 16 -12.993 -10.196 9.178 135 2HH1 ARG 16 HH12 ARG 16 -12.778 -11.456 10.347 136 1HH2 ARG 16 HH21 ARG 16 -13.108 -9.345 13.115 137 2HH2 ARG 16 HH22 ARG 16 -12.843 -10.973 12.584 138 H GLU 17 HN GLU 17 -10.803 -8.165 5.383 139 HA GLU 17 HA GLU 17 -10.589 -6.870 2.935 140 1HB GLU 17 HB1 GLU 17 -10.271 -9.315 3.341 141 2HB GLU 17 HB2 GLU 17 -12.018 -9.483 3.452 142 1HG GLU 17 HG1 GLU 17 -12.184 -9.654 1.256 143 2HG GLU 17 HG2 GLU 17 -11.355 -8.114 1.035 144 H GLY 18 HN GLY 18 -11.912 -5.298 2.255 145 1HA GLY 18 HA2 GLY 18 -14.186 -5.349 1.042 146 2HA GLY 18 HA1 GLY 18 -14.810 -5.635 2.658 147 H ALA 19 HN ALA 19 -12.228 -3.677 3.103 148 HA ALA 19 HA ALA 19 -13.883 -1.393 3.612 149 1HB ALA 19 HB1 ALA 19 -11.128 -0.707 3.754 150 2HB ALA 19 HB2 ALA 19 -11.346 -2.310 4.459 151 3HB ALA 19 HB3 ALA 19 -12.279 -0.943 5.071 152 H LYS 20 HN LYS 20 -14.502 -0.006 2.109 153 HA LYS 20 HA LYS 20 -13.004 0.243 -0.372 154 1HB LYS 20 HB2 LYS 20 -15.680 1.274 0.555 155 2HB LYS 20 HB1 LYS 20 -14.953 1.798 -0.958 156 1HG LYS 20 HG2 LYS 20 -15.836 0.034 -1.952 157 2HG LYS 20 HG1 LYS 20 -14.828 -1.010 -0.947 158 1HD LYS 20 HD1 LYS 20 -16.610 -0.833 0.826 159 2HD LYS 20 HD2 LYS 20 -17.626 -0.051 -0.387 160 1HE LYS 20 HE2 LYS 20 -16.390 -2.783 -0.691 161 2HE LYS 20 HE1 LYS 20 -18.044 -2.487 -0.154 162 1HZ LYS 20 HZ1 LYS 20 -18.247 -2.882 -2.417 163 2HZ LYS 20 HZ2 LYS 20 -16.858 -2.002 -2.814 164 3HZ LYS 20 HZ3 LYS 20 -18.262 -1.192 -2.330 165 H THR 21 HN THR 21 -14.076 2.290 2.317 166 HA THR 21 HA THR 21 -11.854 4.101 1.752 167 HB THR 21 HB THR 21 -13.695 5.946 2.409 168 HG1 THR 21 HG1 THR 21 -15.131 4.058 0.856 169 1HG2 THR 21 HG21 THR 21 -12.899 6.691 0.489 170 2HG2 THR 21 HG22 THR 21 -14.139 5.728 -0.314 171 3HG2 THR 21 HG23 THR 21 -12.525 5.059 -0.069 172 H ARG 22 HN ARG 22 -10.711 4.036 3.558 173 HA ARG 22 HA ARG 22 -12.011 3.695 6.136 174 1HB ARG 22 HB1 ARG 22 -9.727 2.657 5.181 175 2HB ARG 22 HB2 ARG 22 -9.074 4.100 5.943 176 1HG ARG 22 HG2 ARG 22 -8.934 2.330 7.516 177 2HG ARG 22 HG1 ARG 22 -10.223 3.411 8.051 178 1HD ARG 22 HD1 ARG 22 -11.748 1.787 6.683 179 2HD ARG 22 HD2 ARG 22 -10.405 0.665 6.896 180 HE ARG 22 HE ARG 22 -11.056 0.395 9.061 181 1HH1 ARG 22 HH12 ARG 22 -12.360 3.408 7.891 182 2HH1 ARG 22 HH11 ARG 22 -13.267 3.724 9.332 183 1HH2 ARG 22 HH21 ARG 22 -12.246 0.803 10.961 184 2HH2 ARG 22 HH22 ARG 22 -13.202 2.243 11.077 185 H LYS 23 HN LYS 23 -10.223 5.065 7.789 186 HA LYS 23 HA LYS 23 -10.199 7.845 6.952 187 1HB LYS 23 HB1 LYS 23 -12.460 7.599 7.840 188 2HB LYS 23 HB2 LYS 23 -11.825 6.903 9.325 189 1HG LYS 23 HG1 LYS 23 -11.256 8.906 10.180 190 2HG LYS 23 HG2 LYS 23 -10.782 9.563 8.612 191 1HD LYS 23 HD1 LYS 23 -13.092 9.916 8.010 192 2HD LYS 23 HD2 LYS 23 -13.632 9.132 9.497 193 1HE LYS 23 HE1 LYS 23 -13.026 10.913 10.819 194 2HE LYS 23 HE2 LYS 23 -11.805 11.478 9.680 195 1HZ LYS 23 HZ1 LYS 23 -14.174 12.636 9.979 196 2HZ LYS 23 HZ2 LYS 23 -14.551 11.552 8.737 197 3HZ LYS 23 HZ3 LYS 23 -13.303 12.675 8.528 198 H CYS 24 HN CYS 24 -8.834 9.150 8.177 199 HA CYS 24 HA CYS 24 -6.962 7.664 9.871 200 1HB CYS 24 HB2 CYS 24 -6.666 9.711 7.874 201 2HB CYS 24 HB1 CYS 24 -6.004 10.284 9.402 202 HG CYS 24 HG CYS 24 -4.544 8.539 7.600 203 H VAL 25 HN VAL 25 -6.919 7.970 11.991 204 HA VAL 25 HA VAL 25 -8.779 9.681 13.281 205 HB VAL 25 HB VAL 25 -6.434 8.578 14.762 206 1HG1 VAL 25 HG11 VAL 25 -9.136 8.081 15.732 207 2HG1 VAL 25 HG12 VAL 25 -8.787 9.793 15.493 208 3HG1 VAL 25 HG13 VAL 25 -7.758 8.822 16.546 209 1HG2 VAL 25 HG21 VAL 25 -8.452 6.579 14.629 210 2HG2 VAL 25 HG22 VAL 25 -6.763 6.474 14.134 211 3HG2 VAL 25 HG23 VAL 25 -7.986 7.008 12.983 212 H CYS 26 HN CYS 26 -5.589 10.117 12.129 213 HA CYS 26 HA CYS 26 -4.753 12.183 13.892 214 1HB CYS 26 HB2 CYS 26 -3.093 11.000 12.616 215 2HB CYS 26 HB1 CYS 26 -3.873 11.434 11.098 216 HG CYS 26 HG CYS 26 -1.814 13.076 12.512 217 H GLY 27 HN GLY 27 -6.730 12.095 11.024 218 1HA GLY 27 HA1 GLY 27 -8.317 14.085 11.059 219 2HA GLY 27 HA2 GLY 27 -6.846 15.045 11.026 220 H ARG 28 HN ARG 28 -8.209 12.279 9.232 221 HA ARG 28 HA ARG 28 -8.366 13.656 6.771 222 1HB ARG 28 HB2 ARG 28 -5.814 12.380 7.431 223 2HB ARG 28 HB1 ARG 28 -6.496 11.819 5.909 224 1HG ARG 28 HG1 ARG 28 -6.170 13.799 4.879 225 2HG ARG 28 HG2 ARG 28 -6.513 14.732 6.337 226 1HD ARG 28 HD2 ARG 28 -4.350 14.915 6.832 227 2HD ARG 28 HD1 ARG 28 -4.088 13.185 6.620 228 HE ARG 28 HE ARG 28 -3.692 13.600 4.282 229 1HH1 ARG 28 HH11 ARG 28 -3.820 16.426 6.318 230 2HH1 ARG 28 HH12 ARG 28 -2.942 17.424 5.208 231 1HH2 ARG 28 HH22 ARG 28 -2.536 14.906 2.815 232 2HH2 ARG 28 HH21 ARG 28 -2.212 16.559 3.216 233 H THR 29 HN THR 29 -8.005 11.545 4.990 234 HA THR 29 HA THR 29 -9.693 9.379 6.016 235 HB THR 29 HB THR 29 -10.239 10.940 3.483 236 HG1 THR 29 HG1 THR 29 -12.210 10.669 5.368 237 1HG2 THR 29 HG21 THR 29 -12.383 9.236 4.232 238 2HG2 THR 29 HG22 THR 29 -10.915 8.273 4.067 239 3HG2 THR 29 HG23 THR 29 -11.466 9.277 2.726 240 H VAL 30 HN VAL 30 -9.194 7.396 5.237 241 HA VAL 30 HA VAL 30 -6.902 7.242 3.425 242 HB VAL 30 HB VAL 30 -8.102 4.960 4.980 243 1HG1 VAL 30 HG21 VAL 30 -5.751 4.106 4.780 244 2HG1 VAL 30 HG22 VAL 30 -5.431 5.443 3.677 245 3HG1 VAL 30 HG23 VAL 30 -6.633 4.222 3.257 246 1HG2 VAL 30 HG11 VAL 30 -7.450 5.983 6.847 247 2HG2 VAL 30 HG12 VAL 30 -6.645 7.266 5.942 248 3HG2 VAL 30 HG13 VAL 30 -5.793 5.762 6.286 249 H ASN 31 HN ASN 31 -7.225 6.837 1.364 250 HA ASN 31 HA ASN 31 -9.718 5.515 0.542 251 1HB ASN 31 HB1 ASN 31 -8.695 7.868 -0.332 252 2HB ASN 31 HB2 ASN 31 -8.008 6.762 -1.519 253 1HD2 ASN 31 HD22 ASN 31 -10.700 8.548 -0.629 254 2HD2 ASN 31 HD21 ASN 31 -11.832 7.880 -1.750 255 H VAL 32 HN VAL 32 -9.597 3.432 -0.010 256 HA VAL 32 HA VAL 32 -7.114 2.102 -0.489 257 HB VAL 32 HB VAL 32 -8.291 0.124 -0.696 258 1HG1 VAL 32 HG11 VAL 32 -10.407 0.521 0.868 259 2HG1 VAL 32 HG12 VAL 32 -9.601 2.070 1.109 260 3HG1 VAL 32 HG13 VAL 32 -8.753 0.569 1.479 261 1HG2 VAL 32 HG21 VAL 32 -10.601 -0.107 -1.386 262 2HG2 VAL 32 HG22 VAL 32 -9.686 0.784 -2.604 263 3HG2 VAL 32 HG23 VAL 32 -10.764 1.645 -1.505 264 H LYS 33 HN LYS 33 -7.208 0.587 -2.674 265 HA LYS 33 HA LYS 33 -6.581 2.343 -4.761 266 1HB LYS 33 HB1 LYS 33 -6.521 0.364 -6.218 267 2HB LYS 33 HB2 LYS 33 -5.693 0.074 -4.693 268 1HG LYS 33 HG2 LYS 33 -7.216 -1.465 -4.010 269 2HG LYS 33 HG1 LYS 33 -8.545 -0.707 -4.891 270 1HD LYS 33 HD1 LYS 33 -8.048 -2.783 -5.970 271 2HD LYS 33 HD2 LYS 33 -7.475 -1.482 -7.016 272 1HE LYS 33 HE2 LYS 33 -5.246 -1.901 -5.605 273 2HE LYS 33 HE1 LYS 33 -5.950 -3.514 -5.494 274 1HZ LYS 33 HZ1 LYS 33 -4.984 -2.068 -7.856 275 2HZ LYS 33 HZ2 LYS 33 -6.245 -3.179 -8.050 276 3HZ LYS 33 HZ3 LYS 33 -4.760 -3.687 -7.419 277 H ASP 34 HN ASP 34 -7.693 1.810 -7.061 278 HA ASP 34 HA ASP 34 -10.396 2.830 -6.755 279 1HB ASP 34 HB2 ASP 34 -8.502 3.606 -8.438 280 2HB ASP 34 HB1 ASP 34 -9.168 2.312 -9.431 281 H ARG 35 HN ARG 35 -8.734 -0.040 -7.852 282 HA ARG 35 HA ARG 35 -11.167 -1.242 -8.869 283 1HB ARG 35 HB2 ARG 35 -8.286 -2.031 -8.777 284 2HB ARG 35 HB1 ARG 35 -9.500 -3.284 -8.990 285 1HG ARG 35 HG1 ARG 35 -10.370 -2.026 -10.948 286 2HG ARG 35 HG2 ARG 35 -9.016 -0.908 -10.771 287 1HD ARG 35 HD2 ARG 35 -7.746 -3.317 -10.750 288 2HD ARG 35 HD1 ARG 35 -9.087 -3.634 -11.851 289 HE ARG 35 HE ARG 35 -7.491 -1.239 -12.323 290 1HH1 ARG 35 HH22 ARG 35 -8.280 -4.515 -13.209 291 2HH1 ARG 35 HH21 ARG 35 -7.558 -4.401 -14.779 292 1HH2 ARG 35 HH11 ARG 35 -6.538 -1.080 -14.389 293 2HH2 ARG 35 HH12 ARG 35 -6.568 -2.449 -15.449 294 H ARG 36 HN ARG 36 -9.245 -3.553 -7.349 295 HA ARG 36 HA ARG 36 -11.331 -4.105 -5.418 296 1HB ARG 36 HB2 ARG 36 -8.732 -5.595 -5.790 297 2HB ARG 36 HB1 ARG 36 -10.201 -6.177 -5.018 298 1HG ARG 36 HG2 ARG 36 -10.896 -5.404 -7.642 299 2HG ARG 36 HG1 ARG 36 -9.415 -6.359 -7.749 300 1HD ARG 36 HD1 ARG 36 -10.535 -8.074 -6.296 301 2HD ARG 36 HD2 ARG 36 -12.029 -7.156 -6.482 302 HE ARG 36 HE ARG 36 -12.230 -7.967 -8.619 303 1HH1 ARG 36 HH11 ARG 36 -9.016 -8.614 -7.437 304 2HH1 ARG 36 HH12 ARG 36 -8.594 -9.636 -8.770 305 1HH2 ARG 36 HH22 ARG 36 -11.680 -9.312 -10.378 306 2HH2 ARG 36 HH21 ARG 36 -10.107 -10.032 -10.441 307 H ILE 37 HN ILE 37 -8.038 -4.790 -4.576 308 HA ILE 37 HA ILE 37 -7.760 -2.540 -2.782 309 HB ILE 37 HB ILE 37 -8.745 -5.108 -1.824 310 1HG1 ILE 37 HG12 ILE 37 -9.610 -2.729 -1.415 311 2HG1 ILE 37 HG11 ILE 37 -9.554 -3.811 -0.029 312 1HG2 ILE 37 HG21 ILE 37 -7.332 -5.437 0.055 313 2HG2 ILE 37 HG22 ILE 37 -6.416 -3.970 -0.291 314 3HG2 ILE 37 HG23 ILE 37 -6.289 -5.365 -1.364 315 1HD1 ILE 37 HD11 ILE 37 -7.391 -2.759 0.611 316 2HD1 ILE 37 HD12 ILE 37 -8.780 -1.673 0.659 317 3HD1 ILE 37 HD13 ILE 37 -7.642 -1.590 -0.685 318 H PHE 38 HN PHE 38 -5.638 -2.307 -1.991 319 HA PHE 38 HA PHE 38 -3.652 -3.815 -3.508 320 1HB PHE 38 HB1 PHE 38 -3.753 -1.204 -3.184 321 2HB PHE 38 HB2 PHE 38 -2.956 -1.564 -1.657 322 HD1 PHE 38 HD1 PHE 38 -0.696 -2.393 -1.593 323 HD2 PHE 38 HD2 PHE 38 -2.624 -1.574 -5.297 324 HE1 PHE 38 HE1 PHE 38 1.477 -2.495 -2.742 325 HE2 PHE 38 HE2 PHE 38 -0.455 -1.674 -6.453 326 HZ PHE 38 HZ PHE 38 1.600 -2.135 -5.174 327 H GLY 39 HN GLY 39 -1.824 -4.776 -2.483 328 1HA GLY 39 HA1 GLY 39 -0.929 -6.244 -0.957 329 2HA GLY 39 HA2 GLY 39 -1.259 -4.960 0.196 330 H ARG 40 HN ARG 40 -2.451 -7.936 -1.209 331 HA ARG 40 HA ARG 40 -4.681 -8.021 0.670 332 1HB ARG 40 HB1 ARG 40 -4.555 -8.861 -1.881 333 2HB ARG 40 HB2 ARG 40 -4.078 -10.345 -1.069 334 1HG ARG 40 HG1 ARG 40 -6.534 -8.852 -0.240 335 2HG ARG 40 HG2 ARG 40 -6.558 -9.989 -1.591 336 1HD ARG 40 HD2 ARG 40 -5.261 -11.414 0.355 337 2HD ARG 40 HD1 ARG 40 -6.435 -10.487 1.289 338 HE ARG 40 HE ARG 40 -8.154 -11.661 0.264 339 1HH1 ARG 40 HH11 ARG 40 -5.076 -12.492 -1.146 340 2HH1 ARG 40 HH12 ARG 40 -5.691 -13.877 -1.986 341 1HH2 ARG 40 HH22 ARG 40 -8.969 -13.483 -0.839 342 2HH2 ARG 40 HH21 ARG 40 -7.902 -14.440 -1.812 343 H ALA 41 HN ALA 41 -3.636 -8.254 2.624 344 HA ALA 41 HA ALA 41 -1.818 -10.511 2.969 345 1HB ALA 41 HB1 ALA 41 -1.496 -9.511 5.256 346 2HB ALA 41 HB2 ALA 41 -2.511 -8.167 4.720 347 3HB ALA 41 HB3 ALA 41 -0.986 -8.504 3.898 348 H ASP 42 HN ASP 42 -2.530 -12.396 3.677 349 HA ASP 42 HA ASP 42 -5.175 -12.641 4.824 350 1HB ASP 42 HB2 ASP 42 -3.929 -15.128 4.992 351 2HB ASP 42 HB1 ASP 42 -5.013 -14.587 3.715 352 H ASP 43 HN ASP 43 -1.817 -12.953 5.813 353 HA ASP 43 HA ASP 43 -2.568 -13.703 8.526 354 1HB ASP 43 HB1 ASP 43 -0.163 -13.879 6.894 355 2HB ASP 43 HB2 ASP 43 0.175 -13.230 8.496 356 H PHE 44 HN PHE 44 -2.524 -12.359 10.255 357 HA PHE 44 HA PHE 44 -2.704 -9.596 9.920 358 1HB PHE 44 HB1 PHE 44 -2.822 -9.435 12.274 359 2HB PHE 44 HB2 PHE 44 -3.499 -11.014 11.895 360 HD1 PHE 44 HD1 PHE 44 -1.018 -9.228 13.737 361 HD2 PHE 44 HD2 PHE 44 -2.009 -13.049 12.147 362 HE1 PHE 44 HE1 PHE 44 0.581 -10.280 15.281 363 HE2 PHE 44 HE2 PHE 44 -0.410 -14.109 13.688 364 HZ PHE 44 HZ PHE 44 0.888 -12.724 15.258 365 H GLU 45 HN GLU 45 0.045 -11.649 10.638 366 HA GLU 45 HA GLU 45 1.868 -9.587 11.308 367 1HB GLU 45 HB1 GLU 45 1.906 -12.365 11.284 368 2HB GLU 45 HB2 GLU 45 3.090 -11.921 10.062 369 1HG GLU 45 HG1 GLU 45 3.344 -10.361 12.502 370 2HG GLU 45 HG2 GLU 45 3.536 -12.095 12.762 371 H GLU 46 HN GLU 46 1.045 -11.199 8.274 372 HA GLU 46 HA GLU 46 3.078 -9.991 6.718 373 1HB GLU 46 HB1 GLU 46 0.512 -11.410 6.104 374 2HB GLU 46 HB2 GLU 46 1.368 -10.575 4.816 375 1HG GLU 46 HG1 GLU 46 3.414 -11.925 5.590 376 2HG GLU 46 HG2 GLU 46 2.239 -12.935 6.430 377 H ALA 47 HN ALA 47 -0.091 -8.971 7.733 378 HA ALA 47 HA ALA 47 -0.610 -6.966 5.856 379 1HB ALA 47 HB1 ALA 47 -2.203 -7.854 7.575 380 2HB ALA 47 HB2 ALA 47 -2.197 -6.100 7.402 381 3HB ALA 47 HB3 ALA 47 -1.371 -6.853 8.766 382 H SER 48 HN SER 48 0.938 -6.687 9.054 383 HA SER 48 HA SER 48 1.511 -3.960 8.928 384 1HB SER 48 HB1 SER 48 1.797 -4.799 11.058 385 2HB SER 48 HB2 SER 48 2.591 -6.267 10.489 386 HG SER 48 HG SER 48 4.253 -5.154 11.262 387 H GLU 49 HN GLU 49 3.307 -6.733 7.709 388 HA GLU 49 HA GLU 49 5.672 -5.291 7.063 389 1HB GLU 49 HB2 GLU 49 4.597 -8.001 6.587 390 2HB GLU 49 HB1 GLU 49 5.748 -7.426 5.391 391 1HG GLU 49 HG1 GLU 49 6.184 -7.719 8.351 392 2HG GLU 49 HG2 GLU 49 6.936 -8.650 7.056 393 H LEU 50 HN LEU 50 2.727 -6.093 5.313 394 HA LEU 50 HA LEU 50 3.613 -5.242 2.758 395 1HB LEU 50 HB1 LEU 50 1.150 -6.177 3.976 396 2HB LEU 50 HB2 LEU 50 0.848 -4.882 2.834 397 HG LEU 50 HG LEU 50 2.378 -7.402 2.185 398 1HD1 LEU 50 HD11 LEU 50 0.002 -7.829 2.700 399 2HD1 LEU 50 HD12 LEU 50 0.406 -8.136 1.011 400 3HD1 LEU 50 HD13 LEU 50 -0.450 -6.661 1.459 401 1HD2 LEU 50 HD21 LEU 50 1.178 -5.494 0.219 402 2HD2 LEU 50 HD22 LEU 50 2.473 -6.670 -0.010 403 3HD2 LEU 50 HD23 LEU 50 2.776 -5.192 0.904 404 H VAL 51 HN VAL 51 1.793 -3.646 5.342 405 HA VAL 51 HA VAL 51 1.312 -1.226 4.010 406 HB VAL 51 HB VAL 51 1.634 -1.691 6.975 407 1HG1 VAL 51 HG21 VAL 51 -0.178 0.330 6.669 408 2HG1 VAL 51 HG22 VAL 51 0.985 0.676 5.389 409 3HG1 VAL 51 HG23 VAL 51 1.528 0.544 7.061 410 1HG2 VAL 51 HG11 VAL 51 -0.345 -2.602 5.153 411 2HG2 VAL 51 HG12 VAL 51 -1.072 -1.377 6.191 412 3HG2 VAL 51 HG13 VAL 51 -0.293 -2.788 6.906 413 H ARG 52 HN ARG 52 4.004 -2.273 6.065 414 HA ARG 52 HA ARG 52 5.321 0.217 6.194 415 1HB ARG 52 HB1 ARG 52 5.719 -2.151 7.407 416 2HB ARG 52 HB2 ARG 52 6.965 -2.258 6.170 417 1HG ARG 52 HG2 ARG 52 7.717 0.043 6.971 418 2HG ARG 52 HG1 ARG 52 6.688 -0.245 8.375 419 1HD ARG 52 HD1 ARG 52 8.077 -1.798 9.242 420 2HD ARG 52 HD2 ARG 52 8.519 -2.438 7.660 421 HE ARG 52 HE ARG 52 10.278 -0.944 7.565 422 1HH1 ARG 52 HH22 ARG 52 8.239 -0.231 10.301 423 2HH1 ARG 52 HH21 ARG 52 9.368 0.869 11.018 424 1HH2 ARG 52 HH12 ARG 52 11.769 0.504 8.504 425 2HH2 ARG 52 HH11 ARG 52 11.373 1.287 9.997 426 H LYS 53 HN LYS 53 5.565 -2.492 3.933 427 HA LYS 53 HA LYS 53 7.653 -1.380 2.358 428 1HB LYS 53 HB2 LYS 53 5.977 -3.721 2.306 429 2HB LYS 53 HB1 LYS 53 6.012 -2.988 0.708 430 1HG LYS 53 HG1 LYS 53 8.380 -3.169 0.589 431 2HG LYS 53 HG2 LYS 53 8.488 -3.633 2.288 432 1HD LYS 53 HD1 LYS 53 7.461 -5.733 1.870 433 2HD LYS 53 HD2 LYS 53 6.999 -5.255 0.236 434 1HE LYS 53 HE1 LYS 53 9.671 -4.906 0.106 435 2HE LYS 53 HE2 LYS 53 9.582 -6.227 1.269 436 1HZ LYS 53 HZ1 LYS 53 8.185 -7.435 -0.348 437 2HZ LYS 53 HZ2 LYS 53 9.744 -7.128 -0.924 438 3HZ LYS 53 HZ3 LYS 53 8.443 -6.198 -1.472 439 H LEU 54 HN LEU 54 4.179 -1.093 2.438 440 HA LEU 54 HA LEU 54 3.847 0.287 -0.029 441 1HB LEU 54 HB1 LEU 54 2.214 -0.451 2.278 442 2HB LEU 54 HB2 LEU 54 1.798 1.127 1.640 443 HG LEU 54 HG LEU 54 0.411 -0.689 0.705 444 1HD1 LEU 54 HD11 LEU 54 0.859 -0.119 -1.728 445 2HD1 LEU 54 HD12 LEU 54 2.196 0.867 -1.137 446 3HD1 LEU 54 HD13 LEU 54 0.544 1.230 -0.635 447 1HD2 LEU 54 HD21 LEU 54 2.293 -2.380 0.757 448 2HD2 LEU 54 HD22 LEU 54 2.872 -1.635 -0.733 449 3HD2 LEU 54 HD23 LEU 54 1.275 -2.382 -0.683 450 H GLN 55 HN GLN 55 4.707 1.187 3.218 451 HA GLN 55 HA GLN 55 4.235 3.970 2.997 452 1HB GLN 55 HB1 GLN 55 5.469 2.144 4.925 453 2HB GLN 55 HB2 GLN 55 6.221 3.732 4.884 454 1HG GLN 55 HG2 GLN 55 3.251 3.476 5.072 455 2HG GLN 55 HG1 GLN 55 4.260 3.286 6.505 456 1HE2 GLN 55 HE22 GLN 55 5.124 5.046 7.457 457 2HE2 GLN 55 HE21 GLN 55 4.865 6.667 6.923 458 H GLU 56 HN GLU 56 6.540 5.194 3.824 459 HA GLU 56 HA GLU 56 7.970 5.442 1.344 460 1HB GLU 56 HB1 GLU 56 7.375 7.346 2.914 461 2HB GLU 56 HB2 GLU 56 8.647 6.756 3.976 462 1HG GLU 56 HG2 GLU 56 10.140 7.909 2.834 463 2HG GLU 56 HG1 GLU 56 9.742 6.995 1.379 464 H GLU 57 HN GLU 57 9.246 3.714 0.903 465 HA GLU 57 HA GLU 57 10.833 2.419 2.911 466 1HB GLU 57 HB1 GLU 57 9.851 1.630 0.505 467 2HB GLU 57 HB2 GLU 57 11.517 1.987 0.069 468 1HG GLU 57 HG2 GLU 57 12.329 0.441 1.732 469 2HG GLU 57 HG1 GLU 57 10.687 0.147 2.301 470 H LYS 58 HN LYS 58 13.137 2.288 2.939 471 HA LYS 58 HA LYS 58 14.392 4.826 2.475 472 1HB LYS 58 HB2 LYS 58 14.739 3.163 4.450 473 2HB LYS 58 HB1 LYS 58 15.855 2.360 3.352 474 1HG LYS 58 HG2 LYS 58 17.269 4.246 3.251 475 2HG LYS 58 HG1 LYS 58 16.064 5.280 4.021 476 1HD LYS 58 HD2 LYS 58 17.205 4.869 5.907 477 2HD LYS 58 HD1 LYS 58 16.384 3.307 5.880 478 1HE LYS 58 HE2 LYS 58 18.328 2.263 5.655 479 2HE LYS 58 HE1 LYS 58 18.660 3.166 4.178 480 1HZ LYS 58 HZ1 LYS 58 19.665 4.905 5.454 481 2HZ LYS 58 HZ2 LYS 58 20.377 3.439 5.904 482 3HZ LYS 58 HZ3 LYS 58 19.230 4.167 6.913 483 H TYR 59 HN TYR 59 13.574 3.426 0.086 484 HA TYR 59 HA TYR 59 16.039 2.468 -1.114 485 1HB TYR 59 HB1 TYR 59 14.747 1.518 -2.747 486 2HB TYR 59 HB2 TYR 59 13.541 1.619 -1.471 487 HD1 TYR 59 HD1 TYR 59 14.241 2.370 -4.838 488 HD2 TYR 59 HD2 TYR 59 12.108 3.824 -1.456 489 HE1 TYR 59 HE1 TYR 59 12.789 3.684 -6.325 490 HE2 TYR 59 HE2 TYR 59 10.650 5.141 -2.934 491 HH TYR 59 HH TYR 59 11.322 5.529 -6.310 492 H GLY 60 HN GLY 60 14.392 5.402 -0.751 493 1HA GLY 60 HA1 GLY 60 15.823 6.560 -3.062 494 2HA GLY 60 HA2 GLY 60 14.326 7.206 -2.408 495 H SER 61 HN SER 61 16.465 6.132 -0.010 496 HA SER 61 HA SER 61 16.995 8.877 0.780 497 1HB SER 61 HB2 SER 61 16.219 7.038 2.376 498 2HB SER 61 HB1 SER 61 17.853 6.384 2.253 499 HG SER 61 HG SER 61 18.507 8.623 2.868 500 H CYS 62 HN CYS 62 18.430 9.198 -1.107 501 HA CYS 62 HA CYS 62 21.007 7.874 -1.019 502 1HB CYS 62 HB2 CYS 62 19.582 8.798 -3.094 503 2HB CYS 62 HB1 CYS 62 20.562 10.226 -2.782 504 HG CYS 62 HG CYS 62 22.455 7.988 -2.959 505 H HIS 63 HN HIS 63 23.011 8.993 -0.788 506 HA HIS 63 HA HIS 63 22.943 11.681 0.325 507 1HB HIS 63 HB2 HIS 63 22.851 9.558 2.066 508 2HB HIS 63 HB1 HIS 63 24.580 9.872 1.962 509 HD2 HIS 63 HD2 HIS 63 21.651 12.514 2.202 510 HE1 HIS 63 HE1 HIS 63 24.430 13.102 5.341 511 HE2 HIS 63 HE2 HIS 63 22.316 13.972 4.244 512 H PHE 64 HN PHE 64 23.949 11.363 -2.035 513 HA PHE 64 HA PHE 64 26.612 10.433 -2.216 514 1HB PHE 64 HB2 PHE 64 24.685 11.709 -3.950 515 2HB PHE 64 HB1 PHE 64 26.277 12.429 -4.168 516 HD1 PHE 64 HD1 PHE 64 24.295 9.365 -4.464 517 HD2 PHE 64 HD2 PHE 64 28.098 11.167 -5.096 518 HE1 PHE 64 HE1 PHE 64 24.955 7.463 -5.878 519 HE2 PHE 64 HE2 PHE 64 28.767 9.267 -6.511 520 HZ PHE 64 HZ PHE 64 27.194 7.413 -6.904 521 H THR 65 HN THR 65 25.976 13.780 -3.054 522 HA THR 65 HA THR 65 28.266 14.567 -1.406 523 HB THR 65 HB THR 65 26.968 16.465 -3.302 524 HG1 THR 65 HG1 THR 65 28.358 15.442 -4.956 525 1HG2 THR 65 HG21 THR 65 29.013 17.422 -3.508 526 2HG2 THR 65 HG22 THR 65 29.876 15.907 -3.238 527 3HG2 THR 65 HG23 THR 65 29.155 16.767 -1.877 528 H ASN 66 HN ASN 66 27.683 15.142 0.592 529 HA ASN 66 HA ASN 66 25.130 16.291 1.191 530 1HB ASN 66 HB2 ASN 66 26.936 14.896 2.659 531 2HB ASN 66 HB1 ASN 66 27.292 16.536 3.193 532 1HD2 ASN 66 HD21 ASN 66 26.517 16.180 5.250 533 2HD2 ASN 66 HD22 ASN 66 24.832 16.014 5.593 534 HA PRO 67 HA PRO 67 26.121 20.518 0.267 535 1HB PRO 67 HB1 PRO 67 24.042 21.147 2.279 536 2HB PRO 67 HB2 PRO 67 24.140 21.612 0.578 537 1HG PRO 67 HG2 PRO 67 22.402 19.759 1.401 538 2HG PRO 67 HG1 PRO 67 23.235 19.610 -0.158 539 1HD PRO 67 HD2 PRO 67 23.790 18.215 2.433 540 2HD PRO 67 HD1 PRO 67 23.828 17.575 0.776 541 H SER 68 HN SER 68 25.581 19.594 3.657 542 HA SER 68 HA SER 68 27.173 21.796 4.632 543 1HB SER 68 HB2 SER 68 26.303 19.478 6.333 544 2HB SER 68 HB1 SER 68 26.477 21.177 6.773 545 HG SER 68 HG SER 68 24.666 21.517 5.251 546 H LYS 69 HN LYS 69 28.064 19.103 3.115 547 HA LYS 69 HA LYS 69 30.200 18.281 4.906 548 1HB LYS 69 HB1 LYS 69 28.822 17.134 2.642 549 2HB LYS 69 HB2 LYS 69 30.562 17.064 2.399 550 1HG LYS 69 HG1 LYS 69 30.305 16.227 4.991 551 2HG LYS 69 HG2 LYS 69 28.859 15.562 4.227 552 1HD LYS 69 HD1 LYS 69 30.305 14.595 2.454 553 2HD LYS 69 HD2 LYS 69 31.716 15.163 3.347 554 1HE LYS 69 HE1 LYS 69 29.869 13.653 5.008 555 2HE LYS 69 HE2 LYS 69 30.473 12.717 3.643 556 1HZ LYS 69 HZ1 LYS 69 32.749 13.430 4.341 557 2HZ LYS 69 HZ2 LYS 69 31.966 12.397 5.428 558 3HZ LYS 69 HZ3 LYS 69 32.064 14.054 5.755 559 H ARG 70 HN ARG 70 31.981 19.471 4.995 560 HA ARG 70 HA ARG 70 32.771 21.164 2.791 561 1HB ARG 70 HB1 ARG 70 32.961 21.901 5.158 562 2HB ARG 70 HB2 ARG 70 34.173 20.656 5.423 563 1HG ARG 70 HG1 ARG 70 35.103 22.048 3.216 564 2HG ARG 70 HG2 ARG 70 34.451 23.294 4.282 565 1HD ARG 70 HD1 ARG 70 36.404 21.156 5.120 566 2HD ARG 70 HD2 ARG 70 36.845 22.808 4.689 567 HE ARG 70 HE ARG 70 35.230 22.042 7.031 568 1HH1 ARG 70 HH11 ARG 70 37.315 24.275 5.354 569 2HH1 ARG 70 HH12 ARG 70 37.472 25.344 6.708 570 1HH2 ARG 70 HH21 ARG 70 35.431 23.444 8.816 571 2HH2 ARG 70 HH22 ARG 70 36.401 24.872 8.675 572 H GLU 71 HN GLU 71 33.348 19.752 1.144 573 HA GLU 71 HA GLU 71 35.445 17.793 1.634 574 1HB GLU 71 HB1 GLU 71 33.576 18.392 -0.618 575 2HB GLU 71 HB2 GLU 71 35.071 17.537 -0.975 576 1HG GLU 71 HG1 GLU 71 34.077 16.197 1.218 577 2HG GLU 71 HG2 GLU 71 32.635 16.590 0.282 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -10.346 -12.154 5.933 2 2H MET 1 HT2 MET 1 -9.764 -11.605 7.451 3 3H MET 1 HT3 MET 1 -9.481 -13.224 6.960 4 HA MET 1 HA MET 1 -7.516 -12.420 6.415 5 1HB MET 1 HB1 MET 1 -9.133 -11.386 4.077 6 2HB MET 1 HB2 MET 1 -7.452 -11.903 4.051 7 1HG MET 1 HG2 MET 1 -9.829 -13.669 4.589 8 2HG MET 1 HG1 MET 1 -8.929 -13.576 3.076 9 1HE MET 1 HE1 MET 1 -9.606 -15.864 5.662 10 2HE MET 1 HE2 MET 1 -8.894 -14.741 6.820 11 3HE MET 1 HE3 MET 1 -8.123 -16.296 6.511 12 H TYR 2 HN TYR 2 -6.456 -10.406 5.028 13 HA TYR 2 HA TYR 2 -7.421 -7.919 6.257 14 1HB TYR 2 HB2 TYR 2 -4.792 -9.239 6.632 15 2HB TYR 2 HB1 TYR 2 -4.756 -7.499 6.373 16 HD1 TYR 2 HD1 TYR 2 -5.111 -6.053 8.161 17 HD2 TYR 2 HD2 TYR 2 -6.374 -10.102 8.492 18 HE1 TYR 2 HE1 TYR 2 -5.660 -5.681 10.530 19 HE2 TYR 2 HE2 TYR 2 -6.926 -9.742 10.860 20 HH TYR 2 HH TYR 2 -6.443 -6.576 12.401 21 H ILE 3 HN ILE 3 -6.777 -5.998 5.188 22 HA ILE 3 HA ILE 3 -5.775 -6.365 2.442 23 HB ILE 3 HB ILE 3 -7.329 -4.495 1.781 24 1HG1 ILE 3 HG12 ILE 3 -9.002 -5.190 4.162 25 2HG1 ILE 3 HG11 ILE 3 -7.711 -4.007 4.350 26 1HG2 ILE 3 HG21 ILE 3 -8.018 -7.270 2.362 27 2HG2 ILE 3 HG22 ILE 3 -8.255 -6.322 0.894 28 3HG2 ILE 3 HG23 ILE 3 -9.415 -6.203 2.217 29 1HD1 ILE 3 HD11 ILE 3 -9.812 -3.773 2.225 30 2HD1 ILE 3 HD12 ILE 3 -8.699 -2.535 2.811 31 3HD1 ILE 3 HD13 ILE 3 -10.008 -3.105 3.845 32 H ILE 4 HN ILE 4 -4.905 -4.353 1.490 33 HA ILE 4 HA ILE 4 -3.945 -2.462 3.534 34 HB ILE 4 HB ILE 4 -2.398 -3.885 1.403 35 1HG1 ILE 4 HG11 ILE 4 -0.726 -3.520 3.491 36 2HG1 ILE 4 HG12 ILE 4 -2.270 -3.438 4.333 37 1HG2 ILE 4 HG21 ILE 4 -2.136 -1.053 2.044 38 2HG2 ILE 4 HG22 ILE 4 -1.461 -1.984 0.705 39 3HG2 ILE 4 HG23 ILE 4 -0.642 -1.967 2.270 40 1HD1 ILE 4 HD11 ILE 4 -1.532 -5.700 2.507 41 2HD1 ILE 4 HD12 ILE 4 -2.849 -5.626 3.679 42 3HD1 ILE 4 HD13 ILE 4 -1.176 -5.695 4.234 43 H PHE 5 HN PHE 5 -3.690 -0.289 2.841 44 HA PHE 5 HA PHE 5 -4.687 0.391 0.180 45 1HB PHE 5 HB1 PHE 5 -6.036 2.242 1.651 46 2HB PHE 5 HB2 PHE 5 -6.740 0.754 1.040 47 HD1 PHE 5 HD1 PHE 5 -5.670 2.573 3.972 48 HD2 PHE 5 HD2 PHE 5 -7.076 -1.170 2.526 49 HE1 PHE 5 HE1 PHE 5 -6.237 1.908 6.266 50 HE2 PHE 5 HE2 PHE 5 -7.645 -1.846 4.822 51 HZ PHE 5 HZ PHE 5 -7.222 -0.301 6.696 52 H ARG 6 HN ARG 6 -4.972 3.158 0.590 53 HA ARG 6 HA ARG 6 -2.404 4.035 1.683 54 1HB ARG 6 HB2 ARG 6 -3.255 4.259 -1.188 55 2HB ARG 6 HB1 ARG 6 -2.154 5.437 -0.488 56 1HG ARG 6 HG2 ARG 6 -1.208 2.851 0.187 57 2HG ARG 6 HG1 ARG 6 -1.573 2.873 -1.540 58 1HD ARG 6 HD1 ARG 6 -0.195 5.273 -0.618 59 2HD ARG 6 HD2 ARG 6 0.736 3.797 -0.370 60 HE ARG 6 HE ARG 6 -0.242 3.705 -2.962 61 1HH1 ARG 6 HH11 ARG 6 1.895 5.712 -1.077 62 2HH1 ARG 6 HH12 ARG 6 2.865 6.177 -2.434 63 1HH2 ARG 6 HH22 ARG 6 1.031 4.313 -4.754 64 2HH2 ARG 6 HH21 ARG 6 2.374 5.382 -4.524 65 H CYS 7 HN CYS 7 -2.676 5.794 2.878 66 HA CYS 7 HA CYS 7 -5.118 7.306 2.758 67 1HB CYS 7 HB2 CYS 7 -3.866 6.774 4.890 68 2HB CYS 7 HB1 CYS 7 -2.654 7.944 4.378 69 HG CYS 7 HG CYS 7 -5.180 9.421 4.379 70 H ASP 8 HN ASP 8 -5.094 9.693 2.567 71 HA ASP 8 HA ASP 8 -4.016 10.503 0.153 72 1HB ASP 8 HB2 ASP 8 -4.631 12.838 0.913 73 2HB ASP 8 HB1 ASP 8 -5.926 11.648 0.998 74 H CYS 9 HN CYS 9 -2.548 10.487 3.265 75 HA CYS 9 HA CYS 9 -0.528 12.446 2.711 76 1HB CYS 9 HB2 CYS 9 -0.658 10.227 4.764 77 2HB CYS 9 HB1 CYS 9 0.600 11.458 4.709 78 HG CYS 9 HG CYS 9 -1.483 13.194 5.090 79 H GLY 10 HN GLY 10 -1.160 9.696 1.204 80 1HA GLY 10 HA2 GLY 10 0.088 8.484 -0.321 81 2HA GLY 10 HA1 GLY 10 1.515 9.376 0.191 82 H ARG 11 HN ARG 11 -0.203 8.097 2.790 83 HA ARG 11 HA ARG 11 1.929 6.172 3.269 84 1HB ARG 11 HB2 ARG 11 1.277 6.131 5.507 85 2HB ARG 11 HB1 ARG 11 0.983 7.794 5.020 86 1HG ARG 11 HG1 ARG 11 -1.249 7.620 5.268 87 2HG ARG 11 HG2 ARG 11 -1.290 5.936 4.744 88 1HD ARG 11 HD2 ARG 11 -0.735 7.070 7.450 89 2HD ARG 11 HD1 ARG 11 -1.815 5.755 6.985 90 HE ARG 11 HE ARG 11 0.356 4.510 6.501 91 1HH1 ARG 11 HH11 ARG 11 0.027 6.946 8.972 92 2HH1 ARG 11 HH12 ARG 11 1.276 6.281 9.973 93 1HH2 ARG 11 HH21 ARG 11 1.999 3.630 7.812 94 2HH2 ARG 11 HH22 ARG 11 2.396 4.397 9.313 95 H ALA 12 HN ALA 12 0.544 4.304 4.836 96 HA ALA 12 HA ALA 12 -1.550 3.127 3.223 97 1HB ALA 12 HB1 ALA 12 0.174 0.968 3.458 98 2HB ALA 12 HB2 ALA 12 1.211 2.298 2.944 99 3HB ALA 12 HB3 ALA 12 -0.202 1.859 1.984 100 H LEU 13 HN LEU 13 -2.663 1.419 4.303 101 HA LEU 13 HA LEU 13 -1.765 0.792 7.018 102 1HB LEU 13 HB1 LEU 13 -4.197 2.322 6.297 103 2HB LEU 13 HB2 LEU 13 -4.373 1.107 7.547 104 HG LEU 13 HG LEU 13 -2.059 2.875 7.922 105 1HD1 LEU 13 HD21 LEU 13 -3.864 4.354 6.895 106 2HD1 LEU 13 HD22 LEU 13 -3.201 4.849 8.453 107 3HD1 LEU 13 HD23 LEU 13 -4.777 4.061 8.376 108 1HD2 LEU 13 HD11 LEU 13 -2.397 1.716 9.821 109 2HD2 LEU 13 HD12 LEU 13 -4.115 1.479 9.497 110 3HD2 LEU 13 HD13 LEU 13 -3.548 3.008 10.166 111 H TYR 14 HN TYR 14 -3.782 -0.659 7.985 112 HA TYR 14 HA TYR 14 -4.469 -2.671 5.956 113 1HB TYR 14 HB2 TYR 14 -3.856 -4.431 7.695 114 2HB TYR 14 HB1 TYR 14 -2.513 -3.605 6.911 115 HD1 TYR 14 HD1 TYR 14 -4.322 -4.101 10.045 116 HD2 TYR 14 HD2 TYR 14 -1.137 -2.011 8.149 117 HE1 TYR 14 HE1 TYR 14 -3.426 -3.478 12.248 118 HE2 TYR 14 HE2 TYR 14 -0.232 -1.384 10.348 119 HH TYR 14 HH TYR 14 -1.893 -1.464 13.111 120 H SER 15 HN SER 15 -6.389 -3.745 6.296 121 HA SER 15 HA SER 15 -7.796 -3.534 8.811 122 1HB SER 15 HB1 SER 15 -8.317 -1.385 7.563 123 2HB SER 15 HB2 SER 15 -9.129 -2.379 6.355 124 HG SER 15 HG SER 15 -9.810 -1.959 9.059 125 H ARG 16 HN ARG 16 -10.295 -4.303 8.096 126 HA ARG 16 HA ARG 16 -9.874 -7.036 7.332 127 1HB ARG 16 HB2 ARG 16 -11.932 -5.509 8.634 128 2HB ARG 16 HB1 ARG 16 -12.639 -6.474 7.345 129 1HG ARG 16 HG2 ARG 16 -10.872 -8.184 8.667 130 2HG ARG 16 HG1 ARG 16 -11.708 -7.287 9.937 131 1HD ARG 16 HD2 ARG 16 -12.921 -8.957 7.746 132 2HD ARG 16 HD1 ARG 16 -12.994 -9.237 9.485 133 HE ARG 16 HE ARG 16 -14.386 -7.052 8.081 134 1HH1 ARG 16 HH22 ARG 16 -14.102 -9.300 10.728 135 2HH1 ARG 16 HH21 ARG 16 -15.614 -8.849 11.442 136 1HH2 ARG 16 HH12 ARG 16 -16.378 -6.452 9.015 137 2HH2 ARG 16 HH11 ARG 16 -16.907 -7.230 10.468 138 H GLU 17 HN GLU 17 -10.624 -8.104 5.521 139 HA GLU 17 HA GLU 17 -10.494 -6.787 3.076 140 1HB GLU 17 HB1 GLU 17 -10.350 -9.333 3.708 141 2HB GLU 17 HB2 GLU 17 -12.071 -9.317 3.351 142 1HG GLU 17 HG1 GLU 17 -11.599 -8.477 1.107 143 2HG GLU 17 HG2 GLU 17 -9.874 -8.500 1.465 144 H GLY 18 HN GLY 18 -11.839 -5.196 2.473 145 1HA GLY 18 HA2 GLY 18 -14.187 -5.256 1.379 146 2HA GLY 18 HA1 GLY 18 -14.710 -5.497 3.038 147 H ALA 19 HN ALA 19 -12.132 -3.583 3.407 148 HA ALA 19 HA ALA 19 -13.727 -1.250 3.863 149 1HB ALA 19 HB1 ALA 19 -11.346 -0.259 4.295 150 2HB ALA 19 HB2 ALA 19 -10.856 -1.952 4.249 151 3HB ALA 19 HB3 ALA 19 -12.052 -1.412 5.426 152 H LYS 20 HN LYS 20 -14.379 0.038 2.272 153 HA LYS 20 HA LYS 20 -12.831 0.251 -0.184 154 1HB LYS 20 HB2 LYS 20 -15.607 0.871 0.648 155 2HB LYS 20 HB1 LYS 20 -14.918 1.914 -0.588 156 1HG LYS 20 HG2 LYS 20 -16.099 0.155 -1.672 157 2HG LYS 20 HG1 LYS 20 -14.373 -0.120 -1.912 158 1HD LYS 20 HD2 LYS 20 -14.762 -2.197 -1.183 159 2HD LYS 20 HD1 LYS 20 -14.897 -1.476 0.423 160 1HE LYS 20 HE2 LYS 20 -16.904 -2.523 0.387 161 2HE LYS 20 HE1 LYS 20 -17.386 -1.047 -0.447 162 1HZ LYS 20 HZ1 LYS 20 -16.393 -3.371 -1.966 163 2HZ LYS 20 HZ2 LYS 20 -17.379 -2.101 -2.492 164 3HZ LYS 20 HZ3 LYS 20 -18.009 -3.295 -1.472 165 H THR 21 HN THR 21 -14.003 2.321 2.434 166 HA THR 21 HA THR 21 -11.844 4.195 1.852 167 HB THR 21 HB THR 21 -13.628 6.059 2.331 168 HG1 THR 21 HG1 THR 21 -15.434 4.642 0.886 169 1HG2 THR 21 HG21 THR 21 -13.578 6.608 0.159 170 2HG2 THR 21 HG22 THR 21 -14.087 5.005 -0.373 171 3HG2 THR 21 HG23 THR 21 -12.405 5.295 0.071 172 H ARG 22 HN ARG 22 -10.748 4.352 3.668 173 HA ARG 22 HA ARG 22 -12.056 3.920 6.231 174 1HB ARG 22 HB1 ARG 22 -9.276 3.867 5.218 175 2HB ARG 22 HB2 ARG 22 -9.473 4.437 6.869 176 1HG ARG 22 HG2 ARG 22 -10.834 1.918 6.067 177 2HG ARG 22 HG1 ARG 22 -9.089 1.896 6.334 178 1HD ARG 22 HD1 ARG 22 -9.596 1.578 8.488 179 2HD ARG 22 HD2 ARG 22 -9.994 3.296 8.505 180 HE ARG 22 HE ARG 22 -12.146 1.515 7.733 181 1HH1 ARG 22 HH11 ARG 22 -10.588 3.283 10.300 182 2HH1 ARG 22 HH12 ARG 22 -11.987 3.285 11.322 183 1HH2 ARG 22 HH21 ARG 22 -13.992 1.514 9.071 184 2HH2 ARG 22 HH22 ARG 22 -13.921 2.280 10.623 185 H LYS 23 HN LYS 23 -10.747 5.452 7.989 186 HA LYS 23 HA LYS 23 -10.741 8.208 7.082 187 1HB LYS 23 HB1 LYS 23 -13.119 7.695 7.644 188 2HB LYS 23 HB2 LYS 23 -12.611 7.312 9.284 189 1HG LYS 23 HG2 LYS 23 -12.136 9.517 9.794 190 2HG LYS 23 HG1 LYS 23 -11.977 9.981 8.098 191 1HD LYS 23 HD1 LYS 23 -14.583 9.051 8.311 192 2HD LYS 23 HD2 LYS 23 -14.323 9.961 9.800 193 1HE LYS 23 HE2 LYS 23 -13.322 11.256 7.362 194 2HE LYS 23 HE1 LYS 23 -15.073 11.057 7.433 195 1HZ LYS 23 HZ1 LYS 23 -13.314 12.647 9.162 196 2HZ LYS 23 HZ2 LYS 23 -14.744 12.022 9.814 197 3HZ LYS 23 HZ3 LYS 23 -14.805 13.056 8.477 198 H CYS 24 HN CYS 24 -9.498 9.523 8.313 199 HA CYS 24 HA CYS 24 -7.967 8.224 10.435 200 1HB CYS 24 HB2 CYS 24 -7.061 9.619 8.321 201 2HB CYS 24 HB1 CYS 24 -7.224 10.934 9.480 202 HG CYS 24 HG CYS 24 -5.367 8.483 9.952 203 H VAL 25 HN VAL 25 -8.550 8.578 12.434 204 HA VAL 25 HA VAL 25 -10.452 10.532 13.198 205 HB VAL 25 HB VAL 25 -10.682 9.136 14.892 206 1HG1 VAL 25 HG21 VAL 25 -9.529 7.134 15.040 207 2HG1 VAL 25 HG22 VAL 25 -7.999 7.860 14.548 208 3HG1 VAL 25 HG23 VAL 25 -9.276 7.605 13.356 209 1HG2 VAL 25 HG11 VAL 25 -7.908 9.681 15.880 210 2HG2 VAL 25 HG12 VAL 25 -9.375 9.361 16.807 211 3HG2 VAL 25 HG13 VAL 25 -9.185 10.895 15.959 212 H CYS 26 HN CYS 26 -7.033 10.564 12.894 213 HA CYS 26 HA CYS 26 -6.485 12.735 14.651 214 1HB CYS 26 HB2 CYS 26 -4.715 11.213 13.909 215 2HB CYS 26 HB1 CYS 26 -4.951 11.729 12.242 216 HG CYS 26 HG CYS 26 -3.688 13.830 12.680 217 H GLY 27 HN GLY 27 -7.790 12.473 11.471 218 1HA GLY 27 HA1 GLY 27 -9.071 14.549 10.858 219 2HA GLY 27 HA2 GLY 27 -7.557 15.398 11.124 220 H ARG 28 HN ARG 28 -8.786 12.617 9.254 221 HA ARG 28 HA ARG 28 -8.073 13.716 6.750 222 1HB ARG 28 HB2 ARG 28 -6.025 12.189 8.179 223 2HB ARG 28 HB1 ARG 28 -6.368 11.551 6.577 224 1HG ARG 28 HG1 ARG 28 -5.435 13.312 5.535 225 2HG ARG 28 HG2 ARG 28 -6.038 14.464 6.728 226 1HD ARG 28 HD1 ARG 28 -3.461 13.912 6.507 227 2HD ARG 28 HD2 ARG 28 -4.208 14.254 8.067 228 HE ARG 28 HE ARG 28 -4.142 11.462 7.311 229 1HH1 ARG 28 HH21 ARG 28 -2.553 14.063 9.001 230 2HH1 ARG 28 HH22 ARG 28 -1.635 13.009 10.023 231 1HH2 ARG 28 HH11 ARG 28 -2.938 10.068 8.654 232 2HH2 ARG 28 HH12 ARG 28 -1.853 10.739 9.827 233 H THR 29 HN THR 29 -7.724 11.555 5.179 234 HA THR 29 HA THR 29 -9.703 9.539 5.903 235 HB THR 29 HB THR 29 -9.906 11.250 3.416 236 HG1 THR 29 HG1 THR 29 -12.101 11.487 4.460 237 1HG2 THR 29 HG21 THR 29 -10.567 8.654 3.433 238 2HG2 THR 29 HG22 THR 29 -11.432 9.880 2.507 239 3HG2 THR 29 HG23 THR 29 -12.055 9.355 4.070 240 H VAL 30 HN VAL 30 -9.150 7.559 5.184 241 HA VAL 30 HA VAL 30 -6.798 7.376 3.440 242 HB VAL 30 HB VAL 30 -7.995 5.123 5.036 243 1HG1 VAL 30 HG21 VAL 30 -5.903 4.050 4.725 244 2HG1 VAL 30 HG22 VAL 30 -5.165 5.521 4.092 245 3HG1 VAL 30 HG23 VAL 30 -6.385 4.669 3.145 246 1HG2 VAL 30 HG11 VAL 30 -7.464 6.415 6.816 247 2HG2 VAL 30 HG12 VAL 30 -6.328 7.402 5.894 248 3HG2 VAL 30 HG13 VAL 30 -5.843 5.810 6.476 249 H ASN 31 HN ASN 31 -7.170 7.030 1.377 250 HA ASN 31 HA ASN 31 -9.639 5.680 0.550 251 1HB ASN 31 HB1 ASN 31 -8.695 7.967 -0.388 252 2HB ASN 31 HB2 ASN 31 -7.741 6.898 -1.413 253 1HD2 ASN 31 HD21 ASN 31 -8.616 6.406 -3.276 254 2HD2 ASN 31 HD22 ASN 31 -10.305 6.392 -3.641 255 H VAL 32 HN VAL 32 -9.544 3.558 0.141 256 HA VAL 32 HA VAL 32 -7.087 2.162 -0.155 257 HB VAL 32 HB VAL 32 -8.293 0.194 -0.303 258 1HG1 VAL 32 HG11 VAL 32 -9.632 0.252 1.546 259 2HG1 VAL 32 HG12 VAL 32 -10.445 1.735 1.047 260 3HG1 VAL 32 HG13 VAL 32 -8.813 1.806 1.710 261 1HG2 VAL 32 HG21 VAL 32 -10.528 -0.074 -1.115 262 2HG2 VAL 32 HG22 VAL 32 -9.608 0.843 -2.309 263 3HG2 VAL 32 HG23 VAL 32 -10.743 1.673 -1.244 264 H LYS 33 HN LYS 33 -7.348 0.405 -2.211 265 HA LYS 33 HA LYS 33 -6.330 1.809 -4.393 266 1HB LYS 33 HB2 LYS 33 -6.766 -0.889 -3.704 267 2HB LYS 33 HB1 LYS 33 -7.555 -0.651 -5.257 268 1HG LYS 33 HG2 LYS 33 -4.814 0.425 -4.947 269 2HG LYS 33 HG1 LYS 33 -5.001 -1.328 -5.041 270 1HD LYS 33 HD2 LYS 33 -6.640 -0.149 -7.042 271 2HD LYS 33 HD1 LYS 33 -5.031 0.568 -7.152 272 1HE LYS 33 HE2 LYS 33 -4.169 -1.296 -8.010 273 2HE LYS 33 HE1 LYS 33 -4.884 -2.286 -6.738 274 1HZ LYS 33 HZ1 LYS 33 -5.677 -2.044 -9.426 275 2HZ LYS 33 HZ2 LYS 33 -6.944 -1.514 -8.438 276 3HZ LYS 33 HZ3 LYS 33 -6.301 -3.064 -8.228 277 H ASP 34 HN ASP 34 -7.383 1.340 -6.703 278 HA ASP 34 HA ASP 34 -9.913 2.776 -6.662 279 1HB ASP 34 HB2 ASP 34 -7.691 2.506 -8.506 280 2HB ASP 34 HB1 ASP 34 -9.227 2.228 -9.323 281 H ARG 35 HN ARG 35 -8.582 -0.297 -7.774 282 HA ARG 35 HA ARG 35 -11.184 -1.232 -8.657 283 1HB ARG 35 HB2 ARG 35 -8.400 -2.344 -8.702 284 2HB ARG 35 HB1 ARG 35 -9.768 -3.429 -8.904 285 1HG ARG 35 HG2 ARG 35 -10.486 -1.682 -10.722 286 2HG ARG 35 HG1 ARG 35 -8.767 -1.282 -10.702 287 1HD ARG 35 HD1 ARG 35 -9.734 -4.110 -10.981 288 2HD ARG 35 HD2 ARG 35 -9.555 -3.047 -12.376 289 HE ARG 35 HE ARG 35 -7.191 -3.097 -10.800 290 1HH1 ARG 35 HH22 ARG 35 -8.998 -4.922 -13.155 291 2HH1 ARG 35 HH21 ARG 35 -7.607 -5.744 -13.776 292 1HH2 ARG 35 HH12 ARG 35 -5.352 -4.176 -11.611 293 2HH2 ARG 35 HH11 ARG 35 -5.535 -5.321 -12.899 294 H ARG 36 HN ARG 36 -9.398 -3.722 -7.229 295 HA ARG 36 HA ARG 36 -11.389 -4.115 -5.198 296 1HB ARG 36 HB2 ARG 36 -8.801 -5.632 -5.547 297 2HB ARG 36 HB1 ARG 36 -10.254 -6.174 -4.718 298 1HG ARG 36 HG2 ARG 36 -11.135 -5.601 -7.273 299 2HG ARG 36 HG1 ARG 36 -9.548 -6.332 -7.522 300 1HD ARG 36 HD2 ARG 36 -12.003 -7.494 -6.283 301 2HD ARG 36 HD1 ARG 36 -10.929 -8.181 -7.500 302 HE ARG 36 HE ARG 36 -10.656 -8.363 -4.646 303 1HH1 ARG 36 HH22 ARG 36 -8.966 -8.465 -7.692 304 2HH1 ARG 36 HH21 ARG 36 -7.654 -9.414 -7.078 305 1HH2 ARG 36 HH11 ARG 36 -8.932 -9.610 -3.829 306 2HH2 ARG 36 HH12 ARG 36 -7.634 -10.064 -4.882 307 H ILE 37 HN ILE 37 -8.024 -4.690 -4.467 308 HA ILE 37 HA ILE 37 -7.781 -2.418 -2.692 309 HB ILE 37 HB ILE 37 -8.659 -5.011 -1.712 310 1HG1 ILE 37 HG12 ILE 37 -9.553 -2.650 -1.256 311 2HG1 ILE 37 HG11 ILE 37 -9.442 -3.749 0.115 312 1HG2 ILE 37 HG21 ILE 37 -6.282 -3.840 -0.276 313 2HG2 ILE 37 HG22 ILE 37 -6.207 -5.258 -1.324 314 3HG2 ILE 37 HG23 ILE 37 -7.184 -5.297 0.142 315 1HD1 ILE 37 HD11 ILE 37 -7.540 -1.522 -0.564 316 2HD1 ILE 37 HD12 ILE 37 -7.322 -2.668 0.759 317 3HD1 ILE 37 HD13 ILE 37 -8.699 -1.566 0.765 318 H PHE 38 HN PHE 38 -5.640 -2.180 -1.847 319 HA PHE 38 HA PHE 38 -3.633 -3.540 -3.477 320 1HB PHE 38 HB1 PHE 38 -3.849 -0.926 -2.829 321 2HB PHE 38 HB2 PHE 38 -2.812 -1.471 -1.515 322 HD1 PHE 38 HD1 PHE 38 -3.018 -0.674 -5.025 323 HD2 PHE 38 HD2 PHE 38 -0.621 -2.523 -2.034 324 HE1 PHE 38 HE1 PHE 38 -1.066 -0.544 -6.515 325 HE2 PHE 38 HE2 PHE 38 1.337 -2.396 -3.520 326 HZ PHE 38 HZ PHE 38 1.116 -1.405 -5.764 327 H GLY 39 HN GLY 39 -1.855 -4.627 -2.556 328 1HA GLY 39 HA1 GLY 39 -0.958 -6.190 -1.127 329 2HA GLY 39 HA2 GLY 39 -1.192 -4.939 0.085 330 H ARG 40 HN ARG 40 -2.488 -7.858 -1.322 331 HA ARG 40 HA ARG 40 -4.673 -7.921 0.612 332 1HB ARG 40 HB1 ARG 40 -4.702 -8.691 -1.938 333 2HB ARG 40 HB2 ARG 40 -4.144 -10.198 -1.229 334 1HG ARG 40 HG1 ARG 40 -6.543 -8.845 -0.092 335 2HG ARG 40 HG2 ARG 40 -6.685 -9.778 -1.583 336 1HD ARG 40 HD2 ARG 40 -5.380 -11.586 -0.192 337 2HD ARG 40 HD1 ARG 40 -6.041 -10.694 1.178 338 HE ARG 40 HE ARG 40 -8.115 -11.530 0.685 339 1HH1 ARG 40 HH21 ARG 40 -5.991 -12.071 -2.024 340 2HH1 ARG 40 HH22 ARG 40 -7.116 -13.079 -2.870 341 1HH2 ARG 40 HH12 ARG 40 -9.604 -12.855 -0.422 342 2HH2 ARG 40 HH11 ARG 40 -9.170 -13.526 -1.960 343 H ALA 41 HN ALA 41 -3.519 -8.184 2.519 344 HA ALA 41 HA ALA 41 -1.754 -10.484 2.779 345 1HB ALA 41 HB1 ALA 41 -0.910 -8.495 3.749 346 2HB ALA 41 HB2 ALA 41 -1.382 -9.551 5.084 347 3HB ALA 41 HB3 ALA 41 -2.417 -8.197 4.618 348 H ASP 42 HN ASP 42 -2.521 -12.393 3.379 349 HA ASP 42 HA ASP 42 -5.144 -12.635 4.562 350 1HB ASP 42 HB1 ASP 42 -3.915 -15.149 4.616 351 2HB ASP 42 HB2 ASP 42 -5.042 -14.552 3.404 352 H ASP 43 HN ASP 43 -1.790 -12.977 5.533 353 HA ASP 43 HA ASP 43 -2.516 -13.896 8.197 354 1HB ASP 43 HB2 ASP 43 -0.412 -14.574 6.768 355 2HB ASP 43 HB1 ASP 43 0.268 -13.093 7.436 356 H PHE 44 HN PHE 44 -2.630 -12.636 9.971 357 HA PHE 44 HA PHE 44 -2.896 -9.872 9.786 358 1HB PHE 44 HB2 PHE 44 -2.846 -9.848 12.233 359 2HB PHE 44 HB1 PHE 44 -3.817 -11.193 11.645 360 HD1 PHE 44 HD1 PHE 44 -2.918 -13.499 11.749 361 HD2 PHE 44 HD2 PHE 44 -0.908 -10.201 13.538 362 HE1 PHE 44 HE1 PHE 44 -1.589 -15.055 13.116 363 HE2 PHE 44 HE2 PHE 44 0.424 -11.752 14.908 364 HZ PHE 44 HZ PHE 44 0.084 -14.182 14.698 365 H GLU 45 HN GLU 45 -0.094 -11.842 10.612 366 HA GLU 45 HA GLU 45 1.610 -9.684 11.322 367 1HB GLU 45 HB2 GLU 45 2.321 -11.744 12.143 368 2HB GLU 45 HB1 GLU 45 2.006 -12.573 10.626 369 1HG GLU 45 HG1 GLU 45 4.343 -12.488 10.872 370 2HG GLU 45 HG2 GLU 45 3.927 -11.292 9.646 371 H GLU 46 HN GLU 46 0.848 -11.334 8.319 372 HA GLU 46 HA GLU 46 2.936 -10.209 6.769 373 1HB GLU 46 HB2 GLU 46 1.568 -12.242 6.175 374 2HB GLU 46 HB1 GLU 46 0.244 -11.155 5.773 375 1HG GLU 46 HG2 GLU 46 1.091 -10.741 3.771 376 2HG GLU 46 HG1 GLU 46 2.671 -10.348 4.450 377 H ALA 47 HN ALA 47 -0.176 -9.055 7.781 378 HA ALA 47 HA ALA 47 -0.653 -7.086 5.853 379 1HB ALA 47 HB1 ALA 47 -1.411 -7.219 8.763 380 2HB ALA 47 HB2 ALA 47 -2.393 -7.660 7.365 381 3HB ALA 47 HB3 ALA 47 -1.987 -5.970 7.660 382 H SER 48 HN SER 48 0.923 -6.764 9.033 383 HA SER 48 HA SER 48 1.617 -4.072 8.808 384 1HB SER 48 HB2 SER 48 1.751 -5.745 10.831 385 2HB SER 48 HB1 SER 48 3.405 -5.985 10.268 386 HG SER 48 HG SER 48 2.612 -3.352 10.452 387 H GLU 49 HN GLU 49 3.311 -6.968 7.730 388 HA GLU 49 HA GLU 49 5.724 -5.648 7.021 389 1HB GLU 49 HB2 GLU 49 4.728 -8.314 7.040 390 2HB GLU 49 HB1 GLU 49 5.354 -7.986 5.431 391 1HG GLU 49 HG1 GLU 49 7.085 -7.098 7.622 392 2HG GLU 49 HG2 GLU 49 6.836 -8.842 7.529 393 H LEU 50 HN LEU 50 2.750 -6.386 5.298 394 HA LEU 50 HA LEU 50 3.703 -5.733 2.706 395 1HB LEU 50 HB1 LEU 50 1.215 -6.530 3.923 396 2HB LEU 50 HB2 LEU 50 0.939 -5.218 2.793 397 HG LEU 50 HG LEU 50 2.091 -6.540 1.031 398 1HD1 LEU 50 HD21 LEU 50 1.854 -9.091 2.375 399 2HD1 LEU 50 HD22 LEU 50 3.026 -8.037 3.168 400 3HD1 LEU 50 HD23 LEU 50 3.201 -8.419 1.455 401 1HD2 LEU 50 HD11 LEU 50 0.159 -8.521 1.564 402 2HD2 LEU 50 HD12 LEU 50 0.016 -7.115 0.510 403 3HD2 LEU 50 HD13 LEU 50 -0.471 -7.001 2.200 404 H VAL 51 HN VAL 51 1.978 -3.890 5.189 405 HA VAL 51 HA VAL 51 1.628 -1.526 3.725 406 HB VAL 51 HB VAL 51 1.979 -1.830 6.709 407 1HG1 VAL 51 HG21 VAL 51 0.275 0.316 5.677 408 2HG1 VAL 51 HG22 VAL 51 1.987 0.498 5.296 409 3HG1 VAL 51 HG23 VAL 51 1.470 0.337 6.974 410 1HG2 VAL 51 HG11 VAL 51 -0.545 -1.724 6.677 411 2HG2 VAL 51 HG12 VAL 51 0.173 -3.214 6.064 412 3HG2 VAL 51 HG13 VAL 51 -0.446 -2.004 4.939 413 H ARG 52 HN ARG 52 4.324 -2.712 5.657 414 HA ARG 52 HA ARG 52 5.811 -0.322 5.754 415 1HB ARG 52 HB1 ARG 52 6.565 -3.233 5.935 416 2HB ARG 52 HB2 ARG 52 7.791 -1.972 5.980 417 1HG ARG 52 HG2 ARG 52 5.528 -1.609 7.827 418 2HG ARG 52 HG1 ARG 52 6.584 -2.983 8.162 419 1HD ARG 52 HD1 ARG 52 7.379 -0.087 7.910 420 2HD ARG 52 HD2 ARG 52 7.401 -1.077 9.369 421 HE ARG 52 HE ARG 52 9.059 -2.430 7.762 422 1HH1 ARG 52 HH21 ARG 52 8.865 0.956 8.559 423 2HH1 ARG 52 HH22 ARG 52 10.564 1.230 8.364 424 1HH2 ARG 52 HH11 ARG 52 11.295 -2.079 7.502 425 2HH2 ARG 52 HH12 ARG 52 11.945 -0.495 7.763 426 H LYS 53 HN LYS 53 5.673 -2.946 3.398 427 HA LYS 53 HA LYS 53 7.724 -1.906 1.707 428 1HB LYS 53 HB1 LYS 53 6.205 -4.249 1.810 429 2HB LYS 53 HB2 LYS 53 5.703 -3.467 0.318 430 1HG LYS 53 HG2 LYS 53 7.825 -3.587 -0.610 431 2HG LYS 53 HG1 LYS 53 8.605 -3.794 0.959 432 1HD LYS 53 HD1 LYS 53 6.729 -5.921 0.487 433 2HD LYS 53 HD2 LYS 53 7.867 -5.796 -0.857 434 1HE LYS 53 HE1 LYS 53 9.738 -5.923 0.685 435 2HE LYS 53 HE2 LYS 53 8.630 -5.970 2.056 436 1HZ LYS 53 HZ1 LYS 53 8.333 -8.001 -0.032 437 2HZ LYS 53 HZ2 LYS 53 8.043 -8.114 1.629 438 3HZ LYS 53 HZ3 LYS 53 9.630 -8.153 1.043 439 H LEU 54 HN LEU 54 4.261 -1.511 2.009 440 HA LEU 54 HA LEU 54 3.831 -0.086 -0.410 441 1HB LEU 54 HB1 LEU 54 2.300 -0.897 1.900 442 2HB LEU 54 HB2 LEU 54 1.935 0.766 1.486 443 HG LEU 54 HG LEU 54 0.388 -0.850 0.443 444 1HD1 LEU 54 HD11 LEU 54 1.140 -0.044 -2.034 445 2HD1 LEU 54 HD12 LEU 54 2.007 1.108 -1.019 446 3HD1 LEU 54 HD13 LEU 54 0.255 0.954 -0.880 447 1HD2 LEU 54 HD21 LEU 54 1.571 -1.986 -1.655 448 2HD2 LEU 54 HD22 LEU 54 1.428 -2.790 -0.092 449 3HD2 LEU 54 HD23 LEU 54 2.935 -1.991 -0.537 450 H GLN 55 HN GLN 55 5.280 0.739 2.560 451 HA GLN 55 HA GLN 55 4.667 3.498 2.663 452 1HB GLN 55 HB1 GLN 55 6.844 1.806 3.856 453 2HB GLN 55 HB2 GLN 55 6.847 3.553 4.055 454 1HG GLN 55 HG1 GLN 55 4.615 3.416 5.080 455 2HG GLN 55 HG2 GLN 55 4.681 1.659 4.936 456 1HE2 GLN 55 HE22 GLN 55 7.089 0.953 5.731 457 2HE2 GLN 55 HE21 GLN 55 7.409 1.459 7.351 458 H GLU 56 HN GLU 56 7.101 4.793 2.870 459 HA GLU 56 HA GLU 56 7.684 5.279 0.105 460 1HB GLU 56 HB2 GLU 56 7.830 6.768 2.436 461 2HB GLU 56 HB1 GLU 56 9.517 6.501 2.020 462 1HG GLU 56 HG2 GLU 56 9.432 7.997 0.390 463 2HG GLU 56 HG1 GLU 56 7.990 7.255 -0.303 464 H GLU 57 HN GLU 57 8.469 3.098 -0.372 465 HA GLU 57 HA GLU 57 10.951 2.214 0.763 466 1HB GLU 57 HB2 GLU 57 10.768 0.338 -0.676 467 2HB GLU 57 HB1 GLU 57 9.129 0.718 -0.169 468 1HG GLU 57 HG1 GLU 57 10.171 1.846 -2.722 469 2HG GLU 57 HG2 GLU 57 9.649 0.164 -2.658 470 H LYS 58 HN LYS 58 12.851 1.713 -0.648 471 HA LYS 58 HA LYS 58 13.637 4.091 -2.043 472 1HB LYS 58 HB1 LYS 58 15.005 2.295 -0.558 473 2HB LYS 58 HB2 LYS 58 15.372 1.698 -2.169 474 1HG LYS 58 HG2 LYS 58 16.628 3.508 -2.708 475 2HG LYS 58 HG1 LYS 58 15.683 4.605 -1.700 476 1HD LYS 58 HD2 LYS 58 16.692 3.420 0.298 477 2HD LYS 58 HD1 LYS 58 17.807 2.656 -0.838 478 1HE LYS 58 HE1 LYS 58 17.509 5.584 -0.216 479 2HE LYS 58 HE2 LYS 58 18.920 4.557 0.040 480 1HZ LYS 58 HZ1 LYS 58 19.516 5.593 -1.877 481 2HZ LYS 58 HZ2 LYS 58 17.927 5.766 -2.433 482 3HZ LYS 58 HZ3 LYS 58 18.704 4.267 -2.544 483 H TYR 59 HN TYR 59 15.311 3.147 -4.029 484 HA TYR 59 HA TYR 59 13.361 2.438 -6.065 485 1HB TYR 59 HB1 TYR 59 16.177 3.486 -6.120 486 2HB TYR 59 HB2 TYR 59 15.448 2.805 -7.572 487 HD1 TYR 59 HD1 TYR 59 14.242 4.192 -8.982 488 HD2 TYR 59 HD2 TYR 59 14.768 5.345 -4.920 489 HE1 TYR 59 HE1 TYR 59 13.165 6.350 -9.461 490 HE2 TYR 59 HE2 TYR 59 13.692 7.505 -5.388 491 HH TYR 59 HH TYR 59 13.119 8.939 -7.134 492 H GLY 60 HN GLY 60 15.780 0.925 -4.188 493 1HA GLY 60 HA1 GLY 60 15.286 -1.647 -4.675 494 2HA GLY 60 HA2 GLY 60 16.232 -1.230 -6.095 495 H SER 61 HN SER 61 16.447 -0.560 -2.597 496 HA SER 61 HA SER 61 19.328 -0.929 -2.717 497 1HB SER 61 HB1 SER 61 17.973 0.886 -1.364 498 2HB SER 61 HB2 SER 61 17.863 -0.398 -0.160 499 HG SER 61 HG SER 61 19.846 1.226 -0.470 500 H CYS 62 HN CYS 62 19.448 -3.169 -3.112 501 HA CYS 62 HA CYS 62 18.429 -4.933 -1.006 502 1HB CYS 62 HB1 CYS 62 17.820 -5.734 -3.150 503 2HB CYS 62 HB2 CYS 62 19.426 -5.434 -3.805 504 HG CYS 62 HG CYS 62 18.603 -8.030 -2.855 505 H HIS 63 HN HIS 63 19.743 -6.165 0.268 506 HA HIS 63 HA HIS 63 22.589 -5.467 0.220 507 1HB HIS 63 HB2 HIS 63 20.659 -6.244 2.329 508 2HB HIS 63 HB1 HIS 63 22.299 -6.853 2.524 509 HD2 HIS 63 HD2 HIS 63 23.252 -5.219 4.440 510 HE1 HIS 63 HE1 HIS 63 22.213 -1.571 2.561 511 HE2 HIS 63 HE2 HIS 63 23.420 -2.630 4.523 512 H PHE 64 HN PHE 64 24.040 -6.869 -0.512 513 HA PHE 64 HA PHE 64 23.289 -9.480 -1.378 514 1HB PHE 64 HB1 PHE 64 26.098 -8.405 -1.077 515 2HB PHE 64 HB2 PHE 64 25.557 -9.703 -2.137 516 HD1 PHE 64 HD1 PHE 64 24.136 -9.174 -4.102 517 HD2 PHE 64 HD2 PHE 64 25.960 -6.141 -1.739 518 HE1 PHE 64 HE1 PHE 64 23.791 -7.555 -5.921 519 HE2 PHE 64 HE2 PHE 64 25.618 -4.515 -3.553 520 HZ PHE 64 HZ PHE 64 24.531 -5.221 -5.648 521 H THR 65 HN THR 65 22.554 -10.549 0.486 522 HA THR 65 HA THR 65 24.504 -11.034 2.610 523 HB THR 65 HB THR 65 21.731 -12.156 2.651 524 HG1 THR 65 HG1 THR 65 20.960 -10.171 3.408 525 1HG2 THR 65 HG21 THR 65 21.836 -11.841 4.979 526 2HG2 THR 65 HG22 THR 65 23.265 -10.816 4.851 527 3HG2 THR 65 HG23 THR 65 23.384 -12.541 4.503 528 H ASN 66 HN ASN 66 24.978 -12.205 0.052 529 HA ASN 66 HA ASN 66 24.146 -14.909 -0.044 530 1HB ASN 66 HB2 ASN 66 25.854 -13.158 -1.574 531 2HB ASN 66 HB1 ASN 66 26.635 -14.721 -1.347 532 1HD2 ASN 66 HD21 ASN 66 26.359 -15.849 -3.127 533 2HD2 ASN 66 HD22 ASN 66 24.872 -16.047 -3.984 534 HA PRO 67 HA PRO 67 26.564 -16.913 3.050 535 1HB PRO 67 HB2 PRO 67 27.109 -18.988 0.989 536 2HB PRO 67 HB1 PRO 67 26.438 -19.163 2.614 537 1HG PRO 67 HG1 PRO 67 24.868 -19.342 0.472 538 2HG PRO 67 HG2 PRO 67 24.308 -18.526 1.944 539 1HD PRO 67 HD1 PRO 67 25.262 -17.349 -0.634 540 2HD PRO 67 HD2 PRO 67 23.959 -16.804 0.443 541 H SER 68 HN SER 68 27.945 -16.949 -0.229 542 HA SER 68 HA SER 68 30.643 -17.127 0.791 543 1HB SER 68 HB1 SER 68 31.080 -16.661 -1.785 544 2HB SER 68 HB2 SER 68 30.532 -18.240 -1.227 545 HG SER 68 HG SER 68 29.147 -16.261 -2.620 546 H LYS 69 HN LYS 69 28.425 -14.640 -0.028 547 HA LYS 69 HA LYS 69 30.494 -12.639 -0.437 548 1HB LYS 69 HB1 LYS 69 27.495 -12.629 -0.571 549 2HB LYS 69 HB2 LYS 69 28.382 -11.113 -0.483 550 1HG LYS 69 HG2 LYS 69 29.191 -13.110 -2.533 551 2HG LYS 69 HG1 LYS 69 27.712 -12.180 -2.788 552 1HD LYS 69 HD1 LYS 69 28.913 -10.112 -2.651 553 2HD LYS 69 HD2 LYS 69 30.388 -10.945 -2.158 554 1HE LYS 69 HE1 LYS 69 30.937 -10.891 -4.325 555 2HE LYS 69 HE2 LYS 69 29.765 -12.196 -4.511 556 1HZ LYS 69 HZ1 LYS 69 29.286 -10.519 -6.109 557 2HZ LYS 69 HZ2 LYS 69 29.291 -9.299 -4.938 558 3HZ LYS 69 HZ3 LYS 69 28.066 -10.464 -4.940 559 H ARG 70 HN ARG 70 31.384 -11.531 1.162 560 HA ARG 70 HA ARG 70 30.317 -11.713 3.841 561 1HB ARG 70 HB1 ARG 70 32.859 -11.491 2.801 562 2HB ARG 70 HB2 ARG 70 32.558 -9.875 3.425 563 1HG ARG 70 HG1 ARG 70 32.619 -10.546 5.571 564 2HG ARG 70 HG2 ARG 70 31.834 -12.089 5.223 565 1HD ARG 70 HD2 ARG 70 34.720 -11.378 4.717 566 2HD ARG 70 HD1 ARG 70 34.105 -12.473 5.956 567 HE ARG 70 HE ARG 70 33.409 -13.197 3.250 568 1HH1 ARG 70 HH11 ARG 70 35.722 -13.528 5.836 569 2HH1 ARG 70 HH12 ARG 70 36.364 -15.023 5.242 570 1HH2 ARG 70 HH21 ARG 70 34.248 -15.165 2.462 571 2HH2 ARG 70 HH22 ARG 70 35.527 -15.954 3.325 572 H GLU 71 HN GLU 71 30.069 -9.781 5.207 573 HA GLU 71 HA GLU 71 28.580 -7.735 3.766 574 1HB GLU 71 HB1 GLU 71 27.997 -9.018 6.050 575 2HB GLU 71 HB2 GLU 71 28.844 -7.632 6.722 576 1HG GLU 71 HG2 GLU 71 27.017 -6.696 4.759 577 2HG GLU 71 HG1 GLU 71 26.167 -7.807 5.833 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -8.435 -12.924 7.899 2 2H MET 1 HT2 MET 1 -8.689 -13.994 6.581 3 3H MET 1 HT3 MET 1 -9.568 -12.522 6.675 4 HA MET 1 HA MET 1 -6.642 -12.676 6.468 5 1HB MET 1 HB2 MET 1 -7.563 -11.755 4.056 6 2HB MET 1 HB1 MET 1 -7.031 -13.399 4.370 7 1HG MET 1 HG1 MET 1 -9.114 -13.505 3.239 8 2HG MET 1 HG2 MET 1 -9.381 -13.992 4.911 9 1HE MET 1 HE1 MET 1 -12.746 -12.399 4.477 10 2HE MET 1 HE2 MET 1 -11.889 -13.150 5.823 11 3HE MET 1 HE3 MET 1 -11.778 -13.849 4.207 12 H TYR 2 HN TYR 2 -6.038 -10.557 5.183 13 HA TYR 2 HA TYR 2 -7.599 -8.297 6.220 14 1HB TYR 2 HB2 TYR 2 -4.631 -8.736 6.562 15 2HB TYR 2 HB1 TYR 2 -5.400 -7.169 6.778 16 HD1 TYR 2 HD1 TYR 2 -4.078 -9.729 8.555 17 HD2 TYR 2 HD2 TYR 2 -7.712 -7.529 8.318 18 HE1 TYR 2 HE1 TYR 2 -4.573 -10.306 10.892 19 HE2 TYR 2 HE2 TYR 2 -8.217 -8.101 10.654 20 HH TYR 2 HH TYR 2 -7.417 -9.001 12.544 21 H ILE 3 HN ILE 3 -7.003 -6.236 5.205 22 HA ILE 3 HA ILE 3 -5.953 -6.557 2.471 23 HB ILE 3 HB ILE 3 -7.656 -4.835 1.780 24 1HG1 ILE 3 HG12 ILE 3 -9.284 -5.600 4.164 25 2HG1 ILE 3 HG11 ILE 3 -8.049 -4.364 4.375 26 1HG2 ILE 3 HG21 ILE 3 -8.973 -6.501 1.064 27 2HG2 ILE 3 HG22 ILE 3 -9.333 -7.048 2.702 28 3HG2 ILE 3 HG23 ILE 3 -7.841 -7.556 1.911 29 1HD1 ILE 3 HD11 ILE 3 -10.431 -3.625 3.822 30 2HD1 ILE 3 HD12 ILE 3 -10.069 -4.164 2.183 31 3HD1 ILE 3 HD13 ILE 3 -9.101 -2.891 2.926 32 H ILE 4 HN ILE 4 -5.090 -4.556 1.531 33 HA ILE 4 HA ILE 4 -4.332 -2.583 3.585 34 HB ILE 4 HB ILE 4 -2.628 -3.980 1.569 35 1HG1 ILE 4 HG12 ILE 4 -1.092 -3.444 3.745 36 2HG1 ILE 4 HG11 ILE 4 -2.691 -3.478 4.482 37 1HG2 ILE 4 HG21 ILE 4 -0.985 -1.975 2.434 38 2HG2 ILE 4 HG22 ILE 4 -2.503 -1.120 2.152 39 3HG2 ILE 4 HG23 ILE 4 -1.760 -2.049 0.849 40 1HD1 ILE 4 HD11 ILE 4 -1.361 -5.676 2.927 41 2HD1 ILE 4 HD12 ILE 4 -3.038 -5.718 3.471 42 3HD1 ILE 4 HD13 ILE 4 -1.730 -5.648 4.651 43 H PHE 5 HN PHE 5 -4.283 -0.441 3.002 44 HA PHE 5 HA PHE 5 -5.187 0.248 0.284 45 1HB PHE 5 HB1 PHE 5 -6.320 2.195 1.862 46 2HB PHE 5 HB2 PHE 5 -7.163 0.818 1.170 47 HD1 PHE 5 HD1 PHE 5 -6.337 2.530 4.136 48 HD2 PHE 5 HD2 PHE 5 -7.248 -1.334 2.602 49 HE1 PHE 5 HE1 PHE 5 -6.961 1.784 6.392 50 HE2 PHE 5 HE2 PHE 5 -7.874 -2.085 4.861 51 HZ PHE 5 HZ PHE 5 -7.728 -0.521 6.756 52 H ARG 6 HN ARG 6 -5.297 3.040 0.662 53 HA ARG 6 HA ARG 6 -2.571 3.716 1.546 54 1HB ARG 6 HB2 ARG 6 -3.701 3.918 -1.189 55 2HB ARG 6 HB1 ARG 6 -2.719 5.270 -0.642 56 1HG ARG 6 HG1 ARG 6 -0.804 3.979 -0.469 57 2HG ARG 6 HG2 ARG 6 -1.712 2.468 -0.375 58 1HD ARG 6 HD1 ARG 6 -0.518 2.877 -2.550 59 2HD ARG 6 HD2 ARG 6 -2.244 2.537 -2.683 60 HE ARG 6 HE ARG 6 -2.548 4.628 -3.550 61 1HH1 ARG 6 HH11 ARG 6 0.557 4.508 -1.971 62 2HH1 ARG 6 HH12 ARG 6 1.043 6.076 -2.526 63 1HH2 ARG 6 HH21 ARG 6 -1.915 6.691 -4.285 64 2HH2 ARG 6 HH22 ARG 6 -0.362 7.316 -3.842 65 H CYS 7 HN CYS 7 -2.419 5.575 2.654 66 HA CYS 7 HA CYS 7 -4.789 7.132 3.112 67 1HB CYS 7 HB2 CYS 7 -3.101 6.598 4.896 68 2HB CYS 7 HB1 CYS 7 -1.985 7.692 4.084 69 HG CYS 7 HG CYS 7 -4.128 9.467 4.574 70 H ASP 8 HN ASP 8 -4.756 9.531 2.902 71 HA ASP 8 HA ASP 8 -4.228 10.285 0.269 72 1HB ASP 8 HB1 ASP 8 -5.820 11.327 2.060 73 2HB ASP 8 HB2 ASP 8 -4.429 12.332 2.455 74 H CYS 9 HN CYS 9 -2.267 10.494 3.131 75 HA CYS 9 HA CYS 9 -0.318 12.300 2.056 76 1HB CYS 9 HB2 CYS 9 -0.198 10.348 4.366 77 2HB CYS 9 HB1 CYS 9 1.063 11.519 3.989 78 HG CYS 9 HG CYS 9 -1.786 12.410 4.869 79 H GLY 10 HN GLY 10 -1.189 9.396 1.012 80 1HA GLY 10 HA1 GLY 10 -0.130 8.038 -0.564 81 2HA GLY 10 HA2 GLY 10 1.395 8.834 -0.188 82 H ARG 11 HN ARG 11 -0.375 7.872 2.528 83 HA ARG 11 HA ARG 11 1.643 5.919 3.224 84 1HB ARG 11 HB1 ARG 11 -0.816 6.568 4.835 85 2HB ARG 11 HB2 ARG 11 0.729 5.954 5.406 86 1HG ARG 11 HG1 ARG 11 0.402 8.674 4.171 87 2HG ARG 11 HG2 ARG 11 0.255 8.369 5.904 88 1HD ARG 11 HD1 ARG 11 2.576 7.214 5.606 89 2HD ARG 11 HD2 ARG 11 2.661 8.191 4.141 90 HE ARG 11 HE ARG 11 2.187 10.121 5.751 91 1HH1 ARG 11 HH11 ARG 11 3.978 7.253 6.592 92 2HH1 ARG 11 HH12 ARG 11 4.930 8.046 7.802 93 1HH2 ARG 11 HH21 ARG 11 3.435 11.174 7.343 94 2HH2 ARG 11 HH22 ARG 11 4.622 10.275 8.229 95 H ALA 12 HN ALA 12 0.103 4.194 4.819 96 HA ALA 12 HA ALA 12 -1.893 2.917 3.179 97 1HB ALA 12 HB1 ALA 12 -0.276 1.807 2.014 98 2HB ALA 12 HB2 ALA 12 -0.449 0.710 3.384 99 3HB ALA 12 HB3 ALA 12 0.880 1.868 3.344 100 H LEU 13 HN LEU 13 -2.954 1.139 4.286 101 HA LEU 13 HA LEU 13 -2.218 0.734 7.078 102 1HB LEU 13 HB1 LEU 13 -4.728 2.062 6.159 103 2HB LEU 13 HB2 LEU 13 -4.783 1.030 7.574 104 HG LEU 13 HG LEU 13 -2.879 3.352 7.308 105 1HD1 LEU 13 HD21 LEU 13 -5.703 3.409 7.685 106 2HD1 LEU 13 HD22 LEU 13 -4.558 4.749 7.680 107 3HD1 LEU 13 HD23 LEU 13 -4.915 3.901 9.183 108 1HD2 LEU 13 HD11 LEU 13 -3.318 2.971 9.945 109 2HD2 LEU 13 HD12 LEU 13 -1.986 2.241 9.047 110 3HD2 LEU 13 HD13 LEU 13 -3.458 1.316 9.350 111 H TYR 14 HN TYR 14 -4.162 -0.770 8.043 112 HA TYR 14 HA TYR 14 -4.796 -2.827 6.049 113 1HB TYR 14 HB2 TYR 14 -3.983 -4.603 7.521 114 2HB TYR 14 HB1 TYR 14 -2.682 -3.496 7.097 115 HD1 TYR 14 HD1 TYR 14 -1.936 -1.789 8.793 116 HD2 TYR 14 HD2 TYR 14 -4.573 -4.979 9.775 117 HE1 TYR 14 HE1 TYR 14 -1.421 -1.472 11.177 118 HE2 TYR 14 HE2 TYR 14 -4.066 -4.672 12.162 119 HH TYR 14 HH TYR 14 -3.243 -2.885 13.654 120 H SER 15 HN SER 15 -6.691 -3.873 6.362 121 HA SER 15 HA SER 15 -8.051 -3.851 8.905 122 1HB SER 15 HB1 SER 15 -8.608 -1.619 7.808 123 2HB SER 15 HB2 SER 15 -9.465 -2.544 6.575 124 HG SER 15 HG SER 15 -10.115 -2.084 9.239 125 H ARG 16 HN ARG 16 -10.546 -4.631 8.209 126 HA ARG 16 HA ARG 16 -10.077 -7.268 7.168 127 1HB ARG 16 HB1 ARG 16 -12.341 -7.739 7.738 128 2HB ARG 16 HB2 ARG 16 -11.702 -6.721 9.022 129 1HG ARG 16 HG1 ARG 16 -13.360 -5.291 8.723 130 2HG ARG 16 HG2 ARG 16 -12.845 -5.031 7.054 131 1HD ARG 16 HD2 ARG 16 -14.096 -7.316 6.669 132 2HD ARG 16 HD1 ARG 16 -14.950 -6.837 8.136 133 HE ARG 16 HE ARG 16 -14.980 -5.414 5.570 134 1HH1 ARG 16 HH21 ARG 16 -16.184 -5.824 8.814 135 2HH1 ARG 16 HH22 ARG 16 -17.549 -4.787 8.576 136 1HH2 ARG 16 HH11 ARG 16 -16.776 -4.045 5.249 137 2HH2 ARG 16 HH12 ARG 16 -17.886 -3.775 6.551 138 H GLU 17 HN GLU 17 -11.040 -8.196 5.332 139 HA GLU 17 HA GLU 17 -10.908 -6.709 2.986 140 1HB GLU 17 HB1 GLU 17 -10.689 -9.137 3.018 141 2HB GLU 17 HB2 GLU 17 -12.367 -9.305 3.516 142 1HG GLU 17 HG2 GLU 17 -12.601 -7.839 1.227 143 2HG GLU 17 HG1 GLU 17 -11.223 -8.878 0.864 144 H GLY 18 HN GLY 18 -12.169 -5.032 2.473 145 1HA GLY 18 HA1 GLY 18 -14.622 -4.959 1.540 146 2HA GLY 18 HA2 GLY 18 -14.993 -5.066 3.254 147 H ALA 19 HN ALA 19 -12.290 -3.422 3.437 148 HA ALA 19 HA ALA 19 -13.603 -0.913 3.800 149 1HB ALA 19 HB1 ALA 19 -11.869 -0.508 5.123 150 2HB ALA 19 HB2 ALA 19 -10.740 -0.671 3.778 151 3HB ALA 19 HB3 ALA 19 -11.232 -2.096 4.693 152 H LYS 20 HN LYS 20 -14.233 0.248 2.098 153 HA LYS 20 HA LYS 20 -12.625 0.327 -0.325 154 1HB LYS 20 HB1 LYS 20 -14.549 0.722 -1.390 155 2HB LYS 20 HB2 LYS 20 -15.337 0.376 0.142 156 1HG LYS 20 HG2 LYS 20 -14.407 3.143 -0.327 157 2HG LYS 20 HG1 LYS 20 -15.830 2.578 -1.204 158 1HD LYS 20 HD1 LYS 20 -15.548 2.219 1.760 159 2HD LYS 20 HD2 LYS 20 -16.211 3.701 1.064 160 1HE LYS 20 HE2 LYS 20 -17.702 1.951 -0.264 161 2HE LYS 20 HE1 LYS 20 -17.349 0.958 1.149 162 1HZ LYS 20 HZ1 LYS 20 -18.709 2.163 2.415 163 2HZ LYS 20 HZ2 LYS 20 -19.340 2.782 0.973 164 3HZ LYS 20 HZ3 LYS 20 -18.145 3.638 1.810 165 H THR 21 HN THR 21 -13.688 2.417 2.280 166 HA THR 21 HA THR 21 -11.453 4.187 1.723 167 HB THR 21 HB THR 21 -13.023 6.200 2.095 168 HG1 THR 21 HG1 THR 21 -14.875 4.957 2.617 169 1HG2 THR 21 HG21 THR 21 -13.209 6.601 -0.141 170 2HG2 THR 21 HG22 THR 21 -13.615 4.928 -0.523 171 3HG2 THR 21 HG23 THR 21 -11.953 5.364 -0.122 172 H ARG 22 HN ARG 22 -10.414 4.380 3.567 173 HA ARG 22 HA ARG 22 -11.801 3.938 6.087 174 1HB ARG 22 HB1 ARG 22 -9.383 3.100 5.247 175 2HB ARG 22 HB2 ARG 22 -8.907 4.586 6.057 176 1HG ARG 22 HG1 ARG 22 -8.719 3.059 7.756 177 2HG ARG 22 HG2 ARG 22 -10.360 3.658 8.012 178 1HD ARG 22 HD1 ARG 22 -11.328 1.714 7.327 179 2HD ARG 22 HD2 ARG 22 -10.019 1.329 6.210 180 HE ARG 22 HE ARG 22 -8.924 0.227 7.906 181 1HH1 ARG 22 HH12 ARG 22 -11.589 2.047 9.220 182 2HH1 ARG 22 HH11 ARG 22 -11.483 1.317 10.786 183 1HH2 ARG 22 HH21 ARG 22 -8.778 -0.739 9.964 184 2HH2 ARG 22 HH22 ARG 22 -9.886 -0.267 11.210 185 H LYS 23 HN LYS 23 -10.625 5.391 7.930 186 HA LYS 23 HA LYS 23 -10.441 8.168 7.104 187 1HB LYS 23 HB1 LYS 23 -12.895 7.594 7.510 188 2HB LYS 23 HB2 LYS 23 -12.465 7.393 9.203 189 1HG LYS 23 HG2 LYS 23 -12.739 9.563 9.509 190 2HG LYS 23 HG1 LYS 23 -11.419 9.879 8.380 191 1HD LYS 23 HD2 LYS 23 -12.818 10.532 6.758 192 2HD LYS 23 HD1 LYS 23 -13.933 9.198 7.063 193 1HE LYS 23 HE2 LYS 23 -13.867 11.307 9.118 194 2HE LYS 23 HE1 LYS 23 -14.509 11.790 7.549 195 1HZ LYS 23 HZ1 LYS 23 -15.534 9.761 9.421 196 2HZ LYS 23 HZ2 LYS 23 -15.896 9.647 7.772 197 3HZ LYS 23 HZ3 LYS 23 -16.364 11.017 8.648 198 H CYS 24 HN CYS 24 -9.168 9.354 8.415 199 HA CYS 24 HA CYS 24 -7.950 7.962 10.681 200 1HB CYS 24 HB2 CYS 24 -6.647 9.096 8.721 201 2HB CYS 24 HB1 CYS 24 -6.982 10.588 9.595 202 HG CYS 24 HG CYS 24 -5.465 9.841 11.483 203 H VAL 25 HN VAL 25 -8.535 8.443 12.676 204 HA VAL 25 HA VAL 25 -10.421 10.470 13.266 205 HB VAL 25 HB VAL 25 -8.723 9.217 15.391 206 1HG1 VAL 25 HG11 VAL 25 -10.680 9.364 16.716 207 2HG1 VAL 25 HG12 VAL 25 -11.693 9.687 15.310 208 3HG1 VAL 25 HG13 VAL 25 -10.541 10.902 15.863 209 1HG2 VAL 25 HG21 VAL 25 -9.650 7.618 13.452 210 2HG2 VAL 25 HG22 VAL 25 -11.089 7.702 14.469 211 3HG2 VAL 25 HG23 VAL 25 -9.565 7.128 15.145 212 H CYS 26 HN CYS 26 -6.992 10.434 13.109 213 HA CYS 26 HA CYS 26 -6.458 12.591 14.880 214 1HB CYS 26 HB2 CYS 26 -4.820 10.843 13.908 215 2HB CYS 26 HB1 CYS 26 -4.751 11.897 12.500 216 HG CYS 26 HG CYS 26 -3.044 12.266 14.797 217 H GLY 27 HN GLY 27 -7.711 12.391 11.691 218 1HA GLY 27 HA1 GLY 27 -8.879 14.502 11.027 219 2HA GLY 27 HA2 GLY 27 -7.354 15.307 11.363 220 H ARG 28 HN ARG 28 -8.543 12.549 9.444 221 HA ARG 28 HA ARG 28 -7.731 13.642 6.967 222 1HB ARG 28 HB2 ARG 28 -5.752 12.086 8.467 223 2HB ARG 28 HB1 ARG 28 -6.037 11.472 6.845 224 1HG ARG 28 HG1 ARG 28 -5.137 13.299 5.843 225 2HG ARG 28 HG2 ARG 28 -5.627 14.387 7.144 226 1HD ARG 28 HD1 ARG 28 -3.538 12.306 7.638 227 2HD ARG 28 HD2 ARG 28 -3.110 13.807 6.819 228 HE ARG 28 HE ARG 28 -4.328 13.731 9.504 229 1HH1 ARG 28 HH12 ARG 28 -2.029 15.005 7.215 230 2HH1 ARG 28 HH11 ARG 28 -1.380 16.169 8.319 231 1HH2 ARG 28 HH22 ARG 28 -3.478 15.262 10.965 232 2HH2 ARG 28 HH21 ARG 28 -2.203 16.316 10.451 233 H THR 29 HN THR 29 -7.452 11.585 5.342 234 HA THR 29 HA THR 29 -9.400 9.522 6.035 235 HB THR 29 HB THR 29 -9.637 11.299 3.597 236 HG1 THR 29 HG1 THR 29 -11.854 11.386 4.762 237 1HG2 THR 29 HG21 THR 29 -10.732 9.672 2.591 238 2HG2 THR 29 HG22 THR 29 -11.937 9.746 3.876 239 3HG2 THR 29 HG23 THR 29 -10.580 8.628 4.003 240 H VAL 30 HN VAL 30 -8.833 7.573 5.272 241 HA VAL 30 HA VAL 30 -6.493 7.436 3.520 242 HB VAL 30 HB VAL 30 -7.768 5.218 5.121 243 1HG1 VAL 30 HG21 VAL 30 -5.202 4.490 4.760 244 2HG1 VAL 30 HG22 VAL 30 -5.486 5.378 3.264 245 3HG1 VAL 30 HG23 VAL 30 -6.515 4.009 3.686 246 1HG2 VAL 30 HG11 VAL 30 -6.963 6.440 6.846 247 2HG2 VAL 30 HG12 VAL 30 -5.827 7.326 5.827 248 3HG2 VAL 30 HG13 VAL 30 -5.439 5.693 6.368 249 H ASN 31 HN ASN 31 -6.926 7.289 1.435 250 HA ASN 31 HA ASN 31 -9.382 6.015 0.519 251 1HB ASN 31 HB1 ASN 31 -8.916 8.142 -0.483 252 2HB ASN 31 HB2 ASN 31 -7.275 7.654 -0.897 253 1HD2 ASN 31 HD22 ASN 31 -6.964 7.074 -2.911 254 2HD2 ASN 31 HD21 ASN 31 -8.166 6.476 -3.999 255 H VAL 32 HN VAL 32 -9.382 3.908 0.099 256 HA VAL 32 HA VAL 32 -7.067 2.321 -0.241 257 HB VAL 32 HB VAL 32 -9.854 1.676 -1.165 258 1HG1 VAL 32 HG21 VAL 32 -7.433 0.036 -0.599 259 2HG1 VAL 32 HG22 VAL 32 -8.525 -0.018 -1.985 260 3HG1 VAL 32 HG23 VAL 32 -9.046 -0.653 -0.425 261 1HG2 VAL 32 HG11 VAL 32 -8.895 0.768 1.478 262 2HG2 VAL 32 HG12 VAL 32 -10.521 1.200 0.950 263 3HG2 VAL 32 HG13 VAL 32 -9.352 2.465 1.326 264 H LYS 33 HN LYS 33 -6.770 0.938 -2.311 265 HA LYS 33 HA LYS 33 -5.938 2.533 -4.401 266 1HB LYS 33 HB2 LYS 33 -5.810 -0.158 -3.773 267 2HB LYS 33 HB1 LYS 33 -6.723 -0.143 -5.275 268 1HG LYS 33 HG1 LYS 33 -4.786 1.470 -6.040 269 2HG LYS 33 HG2 LYS 33 -3.906 0.639 -4.755 270 1HD LYS 33 HD2 LYS 33 -3.895 -1.350 -5.858 271 2HD LYS 33 HD1 LYS 33 -5.447 -1.046 -6.643 272 1HE LYS 33 HE1 LYS 33 -4.449 -0.281 -8.477 273 2HE LYS 33 HE2 LYS 33 -3.458 0.836 -7.540 274 1HZ LYS 33 HZ1 LYS 33 -2.810 -1.804 -8.564 275 2HZ LYS 33 HZ2 LYS 33 -2.224 -1.453 -7.016 276 3HZ LYS 33 HZ3 LYS 33 -1.811 -0.460 -8.322 277 H ASP 34 HN ASP 34 -6.762 1.722 -6.794 278 HA ASP 34 HA ASP 34 -9.393 2.927 -6.991 279 1HB ASP 34 HB1 ASP 34 -7.080 2.983 -8.563 280 2HB ASP 34 HB2 ASP 34 -8.245 2.065 -9.514 281 H ARG 35 HN ARG 35 -7.859 -0.179 -7.566 282 HA ARG 35 HA ARG 35 -10.242 -1.303 -8.763 283 1HB ARG 35 HB2 ARG 35 -7.719 -1.918 -9.193 284 2HB ARG 35 HB1 ARG 35 -7.950 -2.971 -7.804 285 1HG ARG 35 HG2 ARG 35 -8.987 -4.483 -9.044 286 2HG ARG 35 HG1 ARG 35 -10.120 -3.279 -9.662 287 1HD ARG 35 HD1 ARG 35 -7.326 -3.658 -10.723 288 2HD ARG 35 HD2 ARG 35 -8.752 -4.435 -11.411 289 HE ARG 35 HE ARG 35 -9.542 -1.959 -11.583 290 1HH1 ARG 35 HH21 ARG 35 -6.328 -3.190 -12.128 291 2HH1 ARG 35 HH22 ARG 35 -5.911 -1.958 -13.270 292 1HH2 ARG 35 HH11 ARG 35 -9.001 -0.332 -13.087 293 2HH2 ARG 35 HH12 ARG 35 -7.429 -0.334 -13.816 294 H ARG 36 HN ARG 36 -9.255 -3.829 -7.060 295 HA ARG 36 HA ARG 36 -11.425 -3.674 -5.204 296 1HB ARG 36 HB2 ARG 36 -9.244 -5.748 -5.144 297 2HB ARG 36 HB1 ARG 36 -10.925 -5.916 -4.656 298 1HG ARG 36 HG2 ARG 36 -10.079 -5.432 -7.500 299 2HG ARG 36 HG1 ARG 36 -10.290 -7.042 -6.808 300 1HD ARG 36 HD1 ARG 36 -12.306 -5.011 -7.551 301 2HD ARG 36 HD2 ARG 36 -12.375 -6.769 -7.659 302 HE ARG 36 HE ARG 36 -12.751 -6.738 -5.202 303 1HH1 ARG 36 HH21 ARG 36 -13.486 -3.923 -7.121 304 2HH1 ARG 36 HH22 ARG 36 -14.669 -3.317 -6.010 305 1HH2 ARG 36 HH11 ARG 36 -14.307 -5.947 -3.736 306 2HH2 ARG 36 HH12 ARG 36 -15.135 -4.466 -4.087 307 H ILE 37 HN ILE 37 -8.125 -4.665 -4.386 308 HA ILE 37 HA ILE 37 -7.835 -2.540 -2.451 309 HB ILE 37 HB ILE 37 -8.822 -5.130 -1.655 310 1HG1 ILE 37 HG12 ILE 37 -9.374 -2.649 -0.988 311 2HG1 ILE 37 HG11 ILE 37 -9.584 -3.951 0.178 312 1HG2 ILE 37 HG21 ILE 37 -6.315 -4.281 -0.211 313 2HG2 ILE 37 HG22 ILE 37 -6.395 -5.613 -1.366 314 3HG2 ILE 37 HG23 ILE 37 -7.327 -5.686 0.129 315 1HD1 ILE 37 HD11 ILE 37 -7.169 -2.166 0.019 316 2HD1 ILE 37 HD12 ILE 37 -7.504 -3.387 1.247 317 3HD1 ILE 37 HD13 ILE 37 -8.521 -1.950 1.131 318 H PHE 38 HN PHE 38 -5.710 -2.361 -1.620 319 HA PHE 38 HA PHE 38 -3.707 -3.660 -3.303 320 1HB PHE 38 HB1 PHE 38 -3.941 -1.066 -2.468 321 2HB PHE 38 HB2 PHE 38 -2.811 -1.706 -1.281 322 HD1 PHE 38 HD1 PHE 38 -1.716 -3.764 -3.474 323 HD2 PHE 38 HD2 PHE 38 -2.198 0.459 -3.258 324 HE1 PHE 38 HE1 PHE 38 0.128 -3.476 -5.075 325 HE2 PHE 38 HE2 PHE 38 -0.353 0.753 -4.858 326 HZ PHE 38 HZ PHE 38 0.812 -1.215 -5.769 327 H GLY 39 HN GLY 39 -1.887 -4.720 -2.405 328 1HA GLY 39 HA1 GLY 39 -0.993 -6.354 -1.055 329 2HA GLY 39 HA2 GLY 39 -1.197 -5.134 0.191 330 H ARG 40 HN ARG 40 -2.479 -8.050 -1.212 331 HA ARG 40 HA ARG 40 -4.659 -8.154 0.716 332 1HB ARG 40 HB1 ARG 40 -4.473 -9.078 -1.835 333 2HB ARG 40 HB2 ARG 40 -4.083 -10.531 -0.928 334 1HG ARG 40 HG2 ARG 40 -6.456 -10.414 -1.441 335 2HG ARG 40 HG1 ARG 40 -6.172 -10.351 0.301 336 1HD ARG 40 HD1 ARG 40 -6.559 -8.002 0.358 337 2HD ARG 40 HD2 ARG 40 -6.574 -7.902 -1.402 338 HE ARG 40 HE ARG 40 -8.661 -9.241 0.194 339 1HH1 ARG 40 HH22 ARG 40 -7.624 -7.422 -2.592 340 2HH1 ARG 40 HH21 ARG 40 -9.219 -7.278 -3.251 341 1HH2 ARG 40 HH12 ARG 40 -10.765 -9.055 -0.667 342 2HH2 ARG 40 HH11 ARG 40 -11.004 -8.205 -2.158 343 H ALA 41 HN ALA 41 -3.510 -8.280 2.640 344 HA ALA 41 HA ALA 41 -1.673 -10.517 3.015 345 1HB ALA 41 HB1 ALA 41 -2.364 -8.184 4.795 346 2HB ALA 41 HB2 ALA 41 -0.911 -8.378 3.814 347 3HB ALA 41 HB3 ALA 41 -1.192 -9.446 5.191 348 H ASP 42 HN ASP 42 -2.634 -12.395 3.482 349 HA ASP 42 HA ASP 42 -5.092 -12.509 4.983 350 1HB ASP 42 HB2 ASP 42 -4.009 -15.094 4.826 351 2HB ASP 42 HB1 ASP 42 -5.262 -14.404 3.799 352 H ASP 43 HN ASP 43 -1.684 -12.890 5.555 353 HA ASP 43 HA ASP 43 -2.080 -13.953 8.236 354 1HB ASP 43 HB1 ASP 43 0.237 -13.555 6.421 355 2HB ASP 43 HB2 ASP 43 0.562 -13.449 8.148 356 H PHE 44 HN PHE 44 -2.154 -12.744 10.027 357 HA PHE 44 HA PHE 44 -2.444 -9.984 9.975 358 1HB PHE 44 HB2 PHE 44 -2.063 -10.107 12.464 359 2HB PHE 44 HB1 PHE 44 -3.293 -11.205 11.847 360 HD1 PHE 44 HD1 PHE 44 0.000 -10.931 13.376 361 HD2 PHE 44 HD2 PHE 44 -2.906 -13.602 11.786 362 HE1 PHE 44 HE1 PHE 44 1.156 -12.820 14.448 363 HE2 PHE 44 HE2 PHE 44 -1.755 -15.496 12.853 364 HZ PHE 44 HZ PHE 44 0.278 -15.107 14.187 365 H GLU 45 HN GLU 45 0.440 -11.938 10.511 366 HA GLU 45 HA GLU 45 2.144 -9.815 11.273 367 1HB GLU 45 HB2 GLU 45 3.938 -11.495 10.512 368 2HB GLU 45 HB1 GLU 45 2.906 -11.948 11.856 369 1HG GLU 45 HG1 GLU 45 1.611 -13.383 10.473 370 2HG GLU 45 HG2 GLU 45 2.394 -12.779 9.014 371 H GLU 46 HN GLU 46 1.429 -11.365 8.172 372 HA GLU 46 HA GLU 46 3.343 -9.924 6.665 373 1HB GLU 46 HB1 GLU 46 0.852 -11.446 5.925 374 2HB GLU 46 HB2 GLU 46 1.818 -10.616 4.714 375 1HG GLU 46 HG1 GLU 46 3.757 -11.999 5.909 376 2HG GLU 46 HG2 GLU 46 2.398 -13.067 6.256 377 H ALA 47 HN ALA 47 0.226 -9.121 7.878 378 HA ALA 47 HA ALA 47 -0.598 -7.175 6.042 379 1HB ALA 47 HB1 ALA 47 -1.140 -6.802 8.948 380 2HB ALA 47 HB2 ALA 47 -1.789 -8.225 8.133 381 3HB ALA 47 HB3 ALA 47 -2.217 -6.610 7.565 382 H SER 48 HN SER 48 1.182 -6.759 9.101 383 HA SER 48 HA SER 48 1.600 -4.004 8.872 384 1HB SER 48 HB2 SER 48 1.997 -5.641 10.875 385 2HB SER 48 HB1 SER 48 3.623 -5.775 10.205 386 HG SER 48 HG SER 48 2.780 -3.922 11.798 387 H GLU 49 HN GLU 49 3.530 -6.731 7.713 388 HA GLU 49 HA GLU 49 5.748 -5.177 6.870 389 1HB GLU 49 HB2 GLU 49 5.070 -7.914 6.973 390 2HB GLU 49 HB1 GLU 49 5.457 -7.565 5.295 391 1HG GLU 49 HG1 GLU 49 7.273 -6.673 7.493 392 2HG GLU 49 HG2 GLU 49 7.331 -8.328 6.887 393 H LEU 50 HN LEU 50 2.773 -6.185 5.301 394 HA LEU 50 HA LEU 50 3.521 -5.449 2.668 395 1HB LEU 50 HB1 LEU 50 1.143 -6.399 4.039 396 2HB LEU 50 HB2 LEU 50 0.754 -5.202 2.819 397 HG LEU 50 HG LEU 50 2.012 -6.573 1.151 398 1HD1 LEU 50 HD21 LEU 50 1.891 -8.970 2.839 399 2HD1 LEU 50 HD22 LEU 50 3.123 -7.797 3.303 400 3HD1 LEU 50 HD23 LEU 50 3.109 -8.461 1.669 401 1HD2 LEU 50 HD11 LEU 50 0.221 -7.955 0.697 402 2HD2 LEU 50 HD12 LEU 50 -0.511 -6.728 1.731 403 3HD2 LEU 50 HD13 LEU 50 -0.079 -8.301 2.400 404 H VAL 51 HN VAL 51 1.820 -3.762 5.264 405 HA VAL 51 HA VAL 51 1.148 -1.445 3.827 406 HB VAL 51 HB VAL 51 1.689 -1.744 6.782 407 1HG1 VAL 51 HG21 VAL 51 -0.177 0.240 6.481 408 2HG1 VAL 51 HG22 VAL 51 0.927 0.541 5.141 409 3HG1 VAL 51 HG23 VAL 51 1.540 0.485 6.793 410 1HG2 VAL 51 HG11 VAL 51 -0.971 -1.755 5.376 411 2HG2 VAL 51 HG12 VAL 51 -0.632 -2.146 7.062 412 3HG2 VAL 51 HG13 VAL 51 -0.084 -3.225 5.780 413 H ARG 52 HN ARG 52 3.991 -2.237 5.804 414 HA ARG 52 HA ARG 52 5.223 0.290 5.650 415 1HB ARG 52 HB1 ARG 52 5.785 -1.795 7.126 416 2HB ARG 52 HB2 ARG 52 6.816 -2.251 5.777 417 1HG ARG 52 HG1 ARG 52 7.201 0.513 6.571 418 2HG ARG 52 HG2 ARG 52 7.505 -0.620 7.890 419 1HD ARG 52 HD2 ARG 52 8.873 -1.927 6.118 420 2HD ARG 52 HD1 ARG 52 8.862 -0.403 5.231 421 HE ARG 52 HE ARG 52 10.056 -0.806 7.893 422 1HH1 ARG 52 HH11 ARG 52 9.792 0.952 4.896 423 2HH1 ARG 52 HH12 ARG 52 11.142 1.983 5.233 424 1HH2 ARG 52 HH21 ARG 52 11.835 0.548 8.345 425 2HH2 ARG 52 HH22 ARG 52 12.303 1.753 7.193 426 H LYS 53 HN LYS 53 5.363 -2.546 3.558 427 HA LYS 53 HA LYS 53 7.364 -1.516 1.811 428 1HB LYS 53 HB2 LYS 53 6.005 -3.936 2.095 429 2HB LYS 53 HB1 LYS 53 5.473 -3.321 0.535 430 1HG LYS 53 HG2 LYS 53 7.417 -3.803 -0.424 431 2HG LYS 53 HG1 LYS 53 8.338 -3.061 0.887 432 1HD LYS 53 HD2 LYS 53 8.378 -5.038 2.135 433 2HD LYS 53 HD1 LYS 53 7.047 -5.749 1.219 434 1HE LYS 53 HE1 LYS 53 8.864 -5.358 -0.749 435 2HE LYS 53 HE2 LYS 53 9.927 -5.668 0.624 436 1HZ LYS 53 HZ1 LYS 53 8.409 -7.506 -0.879 437 2HZ LYS 53 HZ2 LYS 53 7.892 -7.555 0.730 438 3HZ LYS 53 HZ3 LYS 53 9.521 -7.814 0.358 439 H LEU 54 HN LEU 54 3.892 -1.278 2.055 440 HA LEU 54 HA LEU 54 3.410 -0.116 -0.494 441 1HB LEU 54 HB1 LEU 54 1.894 -0.866 1.806 442 2HB LEU 54 HB2 LEU 54 1.493 0.793 1.405 443 HG LEU 54 HG LEU 54 -0.041 -0.821 0.361 444 1HD1 LEU 54 HD11 LEU 54 1.524 1.176 -1.058 445 2HD1 LEU 54 HD12 LEU 54 -0.218 0.899 -1.042 446 3HD1 LEU 54 HD13 LEU 54 0.814 -0.031 -2.130 447 1HD2 LEU 54 HD21 LEU 54 1.041 -2.766 -0.119 448 2HD2 LEU 54 HD22 LEU 54 2.510 -1.949 -0.656 449 3HD2 LEU 54 HD23 LEU 54 1.097 -2.006 -1.709 450 H GLN 55 HN GLN 55 4.743 1.061 2.427 451 HA GLN 55 HA GLN 55 4.026 3.791 2.217 452 1HB GLN 55 HB1 GLN 55 5.911 2.184 3.811 453 2HB GLN 55 HB2 GLN 55 6.382 3.860 3.573 454 1HG GLN 55 HG1 GLN 55 4.136 4.533 4.418 455 2HG GLN 55 HG2 GLN 55 3.839 2.840 4.811 456 1HE2 GLN 55 HE22 GLN 55 4.620 5.645 6.157 457 2HE2 GLN 55 HE21 GLN 55 5.607 5.113 7.471 458 H GLU 56 HN GLU 56 6.562 5.049 2.466 459 HA GLU 56 HA GLU 56 7.154 5.459 -0.300 460 1HB GLU 56 HB2 GLU 56 7.203 7.260 1.432 461 2HB GLU 56 HB1 GLU 56 8.639 6.511 2.115 462 1HG GLU 56 HG1 GLU 56 9.310 6.792 -0.527 463 2HG GLU 56 HG2 GLU 56 8.351 8.237 -0.210 464 H GLU 57 HN GLU 57 7.937 3.475 -1.054 465 HA GLU 57 HA GLU 57 10.212 2.206 0.147 466 1HB GLU 57 HB2 GLU 57 10.032 0.588 -1.568 467 2HB GLU 57 HB1 GLU 57 8.381 1.051 -1.185 468 1HG GLU 57 HG1 GLU 57 9.907 2.283 -3.456 469 2HG GLU 57 HG2 GLU 57 8.973 0.797 -3.634 470 H LYS 58 HN LYS 58 12.102 1.628 -1.400 471 HA LYS 58 HA LYS 58 13.354 4.103 -2.112 472 1HB LYS 58 HB1 LYS 58 14.375 1.283 -2.478 473 2HB LYS 58 HB2 LYS 58 15.333 2.757 -2.543 474 1HG LYS 58 HG1 LYS 58 15.497 2.897 -0.315 475 2HG LYS 58 HG2 LYS 58 13.819 2.412 -0.062 476 1HD LYS 58 HD1 LYS 58 15.267 0.181 -1.081 477 2HD LYS 58 HD2 LYS 58 16.163 0.863 0.277 478 1HE LYS 58 HE1 LYS 58 14.280 0.653 1.724 479 2HE LYS 58 HE2 LYS 58 13.222 0.228 0.379 480 1HZ LYS 58 HZ1 LYS 58 13.654 -1.860 0.984 481 2HZ LYS 58 HZ2 LYS 58 15.010 -1.435 1.901 482 3HZ LYS 58 HZ3 LYS 58 15.153 -1.649 0.230 483 H TYR 59 HN TYR 59 14.324 4.557 -4.178 484 HA TYR 59 HA TYR 59 12.598 3.732 -6.370 485 1HB TYR 59 HB2 TYR 59 14.634 5.915 -6.009 486 2HB TYR 59 HB1 TYR 59 14.040 5.493 -7.612 487 HD1 TYR 59 HD1 TYR 59 11.730 5.943 -8.244 488 HD2 TYR 59 HD2 TYR 59 13.195 7.011 -4.394 489 HE1 TYR 59 HE1 TYR 59 9.765 7.380 -7.901 490 HE2 TYR 59 HE2 TYR 59 11.234 8.452 -4.042 491 HH TYR 59 HH TYR 59 9.176 9.394 -6.512 492 H GLY 60 HN GLY 60 13.758 3.480 -8.564 493 1HA GLY 60 HA1 GLY 60 16.388 2.480 -8.693 494 2HA GLY 60 HA2 GLY 60 15.283 1.130 -8.489 495 H SER 61 HN SER 61 13.585 3.455 -10.072 496 HA SER 61 HA SER 61 13.932 2.093 -12.617 497 1HB SER 61 HB2 SER 61 12.034 4.371 -12.342 498 2HB SER 61 HB1 SER 61 11.824 2.822 -13.158 499 HG SER 61 HG SER 61 10.946 3.507 -10.779 500 H CYS 62 HN CYS 62 15.343 2.802 -14.058 501 HA CYS 62 HA CYS 62 15.756 5.703 -14.326 502 1HB CYS 62 HB2 CYS 62 17.647 4.259 -13.175 503 2HB CYS 62 HB1 CYS 62 18.032 3.829 -14.839 504 HG CYS 62 HG CYS 62 19.213 5.951 -15.032 505 H HIS 63 HN HIS 63 15.582 2.553 -15.799 506 HA HIS 63 HA HIS 63 15.017 3.777 -18.365 507 1HB HIS 63 HB2 HIS 63 17.606 2.855 -17.849 508 2HB HIS 63 HB1 HIS 63 16.854 1.572 -18.790 509 HD2 HIS 63 HD2 HIS 63 16.549 2.065 -21.446 510 HE1 HIS 63 HE1 HIS 63 17.917 6.070 -21.329 511 HE2 HIS 63 HE2 HIS 63 17.225 4.150 -22.835 512 H PHE 64 HN PHE 64 14.568 1.415 -16.053 513 HA PHE 64 HA PHE 64 13.610 -0.704 -17.724 514 1HB PHE 64 HB2 PHE 64 13.447 -0.131 -14.772 515 2HB PHE 64 HB1 PHE 64 12.600 -1.497 -15.490 516 HD1 PHE 64 HD1 PHE 64 13.745 -3.470 -16.107 517 HD2 PHE 64 HD2 PHE 64 15.923 -0.031 -14.868 518 HE1 PHE 64 HE1 PHE 64 15.792 -4.827 -15.951 519 HE2 PHE 64 HE2 PHE 64 17.975 -1.380 -14.709 520 HZ PHE 64 HZ PHE 64 17.911 -3.782 -15.252 521 H THR 65 HN THR 65 11.969 1.580 -15.528 522 HA THR 65 HA THR 65 9.443 1.021 -16.891 523 HB THR 65 HB THR 65 9.919 2.688 -14.414 524 HG1 THR 65 HG1 THR 65 10.490 0.371 -14.307 525 1HG2 THR 65 HG21 THR 65 7.598 2.293 -15.968 526 2HG2 THR 65 HG22 THR 65 7.762 3.132 -14.426 527 3HG2 THR 65 HG23 THR 65 7.393 1.407 -14.457 528 H ASN 66 HN ASN 66 9.794 2.150 -18.819 529 HA ASN 66 HA ASN 66 10.657 4.822 -18.985 530 1HB ASN 66 HB1 ASN 66 8.777 3.541 -20.961 531 2HB ASN 66 HB2 ASN 66 10.038 4.734 -21.265 532 1HD2 ASN 66 HD22 ASN 66 12.261 4.037 -20.986 533 2HD2 ASN 66 HD21 ASN 66 12.675 2.395 -21.330 534 HA PRO 67 HA PRO 67 7.223 7.275 -17.712 535 1HB PRO 67 HB2 PRO 67 7.198 9.200 -19.689 536 2HB PRO 67 HB1 PRO 67 8.275 9.212 -18.290 537 1HG PRO 67 HG2 PRO 67 8.807 8.292 -21.085 538 2HG PRO 67 HG1 PRO 67 9.854 9.213 -19.989 539 1HD PRO 67 HD2 PRO 67 10.220 6.589 -20.394 540 2HD PRO 67 HD1 PRO 67 10.477 7.322 -18.796 541 H SER 68 HN SER 68 7.344 6.551 -21.188 542 HA SER 68 HA SER 68 4.478 6.798 -21.461 543 1HB SER 68 HB1 SER 68 6.671 6.902 -23.219 544 2HB SER 68 HB2 SER 68 5.755 5.471 -23.690 545 HG SER 68 HG SER 68 4.135 7.587 -23.172 546 H LYS 69 HN LYS 69 6.613 4.404 -20.444 547 HA LYS 69 HA LYS 69 4.993 2.169 -21.353 548 1HB LYS 69 HB1 LYS 69 7.622 2.319 -21.026 549 2HB LYS 69 HB2 LYS 69 7.212 1.841 -19.384 550 1HG LYS 69 HG2 LYS 69 7.260 -0.256 -20.103 551 2HG LYS 69 HG1 LYS 69 5.763 0.096 -20.969 552 1HD LYS 69 HD1 LYS 69 6.912 0.553 -22.977 553 2HD LYS 69 HD2 LYS 69 8.470 0.653 -22.153 554 1HE LYS 69 HE2 LYS 69 8.167 -1.445 -23.438 555 2HE LYS 69 HE1 LYS 69 8.457 -1.707 -21.718 556 1HZ LYS 69 HZ1 LYS 69 6.300 -2.591 -23.264 557 2HZ LYS 69 HZ2 LYS 69 5.696 -1.498 -22.121 558 3HZ LYS 69 HZ3 LYS 69 6.581 -2.849 -21.616 559 H ARG 70 HN ARG 70 4.273 0.523 -19.775 560 HA ARG 70 HA ARG 70 2.835 1.804 -17.621 561 1HB ARG 70 HB2 ARG 70 2.845 -1.153 -18.169 562 2HB ARG 70 HB1 ARG 70 1.565 -0.169 -17.472 563 1HG ARG 70 HG2 ARG 70 0.632 -0.042 -19.470 564 2HG ARG 70 HG1 ARG 70 2.034 0.867 -20.038 565 1HD ARG 70 HD2 ARG 70 2.819 -1.826 -19.995 566 2HD ARG 70 HD1 ARG 70 1.203 -1.803 -20.698 567 HE ARG 70 HE ARG 70 2.818 0.208 -21.862 568 1HH1 ARG 70 HH11 ARG 70 2.317 -3.242 -21.847 569 2HH1 ARG 70 HH12 ARG 70 2.911 -3.464 -23.459 570 1HH2 ARG 70 HH22 ARG 70 3.601 -0.078 -23.983 571 2HH2 ARG 70 HH21 ARG 70 3.639 -1.667 -24.673 572 H GLU 71 HN GLU 71 2.645 0.053 -15.629 573 HA GLU 71 HA GLU 71 5.302 0.143 -14.444 574 1HB GLU 71 HB1 GLU 71 3.053 0.897 -13.347 575 2HB GLU 71 HB2 GLU 71 2.845 -0.816 -13.014 576 1HG GLU 71 HG1 GLU 71 4.690 -0.890 -11.596 577 2HG GLU 71 HG2 GLU 71 5.347 0.622 -12.223 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -9.690 -11.633 7.231 2 2H MET 1 HT2 MET 1 -8.886 -13.145 7.343 3 3H MET 1 HT3 MET 1 -9.990 -12.852 6.063 4 HA MET 1 HA MET 1 -7.251 -12.349 6.201 5 1HB MET 1 HB1 MET 1 -9.399 -11.935 4.111 6 2HB MET 1 HB2 MET 1 -7.673 -11.852 3.787 7 1HG MET 1 HG2 MET 1 -7.434 -14.080 3.786 8 2HG MET 1 HG1 MET 1 -8.553 -14.305 5.129 9 1HE MET 1 HE1 MET 1 -9.134 -15.629 1.089 10 2HE MET 1 HE2 MET 1 -8.939 -16.575 2.564 11 3HE MET 1 HE3 MET 1 -7.724 -15.377 2.118 12 H TYR 2 HN TYR 2 -6.106 -10.468 5.604 13 HA TYR 2 HA TYR 2 -7.498 -7.977 6.319 14 1HB TYR 2 HB2 TYR 2 -4.666 -8.910 6.648 15 2HB TYR 2 HB1 TYR 2 -5.010 -7.186 6.570 16 HD1 TYR 2 HD1 TYR 2 -7.355 -6.748 8.105 17 HD2 TYR 2 HD2 TYR 2 -4.240 -9.560 8.809 18 HE1 TYR 2 HE1 TYR 2 -7.902 -6.744 10.501 19 HE2 TYR 2 HE2 TYR 2 -4.777 -9.562 11.207 20 HH TYR 2 HH TYR 2 -6.151 -7.486 12.789 21 H ILE 3 HN ILE 3 -6.868 -6.026 5.219 22 HA ILE 3 HA ILE 3 -5.862 -6.431 2.483 23 HB ILE 3 HB ILE 3 -7.462 -4.602 1.787 24 1HG1 ILE 3 HG11 ILE 3 -9.182 -5.328 4.110 25 2HG1 ILE 3 HG12 ILE 3 -7.886 -4.167 4.384 26 1HG2 ILE 3 HG21 ILE 3 -9.080 -6.104 1.172 27 2HG2 ILE 3 HG22 ILE 3 -9.061 -6.932 2.732 28 3HG2 ILE 3 HG23 ILE 3 -7.750 -7.190 1.578 29 1HD1 ILE 3 HD11 ILE 3 -8.800 -2.626 2.888 30 2HD1 ILE 3 HD12 ILE 3 -10.175 -3.249 3.800 31 3HD1 ILE 3 HD13 ILE 3 -9.866 -3.830 2.164 32 H ILE 4 HN ILE 4 -4.932 -4.475 1.523 33 HA ILE 4 HA ILE 4 -4.045 -2.541 3.562 34 HB ILE 4 HB ILE 4 -2.478 -3.933 1.428 35 1HG1 ILE 4 HG11 ILE 4 -0.810 -3.567 3.508 36 2HG1 ILE 4 HG12 ILE 4 -2.348 -3.477 4.361 37 1HG2 ILE 4 HG21 ILE 4 -1.536 -2.034 0.742 38 2HG2 ILE 4 HG22 ILE 4 -0.762 -1.977 2.329 39 3HG2 ILE 4 HG23 ILE 4 -2.269 -1.101 2.048 40 1HD1 ILE 4 HD11 ILE 4 -1.207 -5.740 4.213 41 2HD1 ILE 4 HD12 ILE 4 -1.702 -5.746 2.521 42 3HD1 ILE 4 HD13 ILE 4 -2.919 -5.664 3.794 43 H PHE 5 HN PHE 5 -3.815 -0.372 2.903 44 HA PHE 5 HA PHE 5 -4.804 0.336 0.245 45 1HB PHE 5 HB1 PHE 5 -6.109 2.199 1.776 46 2HB PHE 5 HB2 PHE 5 -6.849 0.764 1.081 47 HD1 PHE 5 HD1 PHE 5 -5.941 2.481 4.088 48 HD2 PHE 5 HD2 PHE 5 -7.115 -1.283 2.492 49 HE1 PHE 5 HE1 PHE 5 -6.584 1.734 6.338 50 HE2 PHE 5 HE2 PHE 5 -7.759 -2.038 4.744 51 HZ PHE 5 HZ PHE 5 -7.490 -0.526 6.668 52 H ARG 6 HN ARG 6 -4.998 3.079 0.561 53 HA ARG 6 HA ARG 6 -2.425 3.909 1.699 54 1HB ARG 6 HB2 ARG 6 -3.258 4.067 -1.169 55 2HB ARG 6 HB1 ARG 6 -2.242 5.339 -0.505 56 1HG ARG 6 HG1 ARG 6 -0.448 3.934 -0.192 57 2HG ARG 6 HG2 ARG 6 -1.459 2.488 -0.120 58 1HD ARG 6 HD2 ARG 6 -0.061 2.780 -2.211 59 2HD ARG 6 HD1 ARG 6 -1.779 2.470 -2.453 60 HE ARG 6 HE ARG 6 -1.858 5.053 -2.630 61 1HH1 ARG 6 HH11 ARG 6 0.695 2.985 -3.795 62 2HH1 ARG 6 HH12 ARG 6 1.152 4.057 -5.075 63 1HH2 ARG 6 HH21 ARG 6 -1.262 6.468 -4.311 64 2HH2 ARG 6 HH22 ARG 6 0.041 6.037 -5.369 65 H CYS 7 HN CYS 7 -2.527 5.785 2.755 66 HA CYS 7 HA CYS 7 -4.996 7.236 2.849 67 1HB CYS 7 HB2 CYS 7 -3.440 6.830 4.815 68 2HB CYS 7 HB1 CYS 7 -2.373 8.039 4.106 69 HG CYS 7 HG CYS 7 -3.759 9.398 5.705 70 H ASP 8 HN ASP 8 -5.033 9.644 2.590 71 HA ASP 8 HA ASP 8 -4.248 10.359 0.007 72 1HB ASP 8 HB2 ASP 8 -5.098 12.550 0.493 73 2HB ASP 8 HB1 ASP 8 -6.121 11.390 1.335 74 H CYS 9 HN CYS 9 -2.639 10.721 3.068 75 HA CYS 9 HA CYS 9 -0.642 12.568 2.163 76 1HB CYS 9 HB2 CYS 9 -0.658 10.681 4.531 77 2HB CYS 9 HB1 CYS 9 0.509 11.975 4.270 78 HG CYS 9 HG CYS 9 -1.041 13.501 5.366 79 H GLY 10 HN GLY 10 -1.282 9.596 1.133 80 1HA GLY 10 HA2 GLY 10 -0.005 8.223 -0.251 81 2HA GLY 10 HA1 GLY 10 1.433 9.107 0.239 82 H ARG 11 HN ARG 11 -0.624 8.090 2.758 83 HA ARG 11 HA ARG 11 1.432 6.337 3.788 84 1HB ARG 11 HB1 ARG 11 -1.281 6.761 5.018 85 2HB ARG 11 HB2 ARG 11 0.226 6.332 5.816 86 1HG ARG 11 HG1 ARG 11 0.807 8.754 4.647 87 2HG ARG 11 HG2 ARG 11 -0.867 8.944 5.173 88 1HD ARG 11 HD1 ARG 11 0.133 9.535 7.114 89 2HD ARG 11 HD2 ARG 11 0.138 7.788 7.362 90 HE ARG 11 HE ARG 11 2.463 7.827 6.523 91 1HH1 ARG 11 HH21 ARG 11 1.044 10.757 7.767 92 2HH1 ARG 11 HH22 ARG 11 2.567 11.469 8.183 93 1HH2 ARG 11 HH11 ARG 11 4.472 8.759 7.069 94 2HH2 ARG 11 HH12 ARG 11 4.514 10.334 7.787 95 H ALA 12 HN ALA 12 -0.003 4.438 5.160 96 HA ALA 12 HA ALA 12 -1.746 2.993 3.387 97 1HB ALA 12 HB1 ALA 12 0.413 2.434 2.399 98 2HB ALA 12 HB2 ALA 12 -0.325 1.019 3.149 99 3HB ALA 12 HB3 ALA 12 0.991 1.864 3.965 100 H LEU 13 HN LEU 13 -2.872 1.332 4.441 101 HA LEU 13 HA LEU 13 -2.107 0.703 7.192 102 1HB LEU 13 HB1 LEU 13 -4.550 2.196 6.386 103 2HB LEU 13 HB2 LEU 13 -4.697 1.022 7.678 104 HG LEU 13 HG LEU 13 -2.526 3.071 7.829 105 1HD1 LEU 13 HD21 LEU 13 -4.578 4.181 9.270 106 2HD1 LEU 13 HD22 LEU 13 -5.385 3.633 7.801 107 3HD1 LEU 13 HD23 LEU 13 -4.010 4.732 7.694 108 1HD2 LEU 13 HD11 LEU 13 -3.277 2.860 10.285 109 2HD2 LEU 13 HD12 LEU 13 -2.383 1.525 9.557 110 3HD2 LEU 13 HD13 LEU 13 -4.133 1.419 9.739 111 H TYR 14 HN TYR 14 -4.074 -0.808 8.087 112 HA TYR 14 HA TYR 14 -4.741 -2.753 5.984 113 1HB TYR 14 HB2 TYR 14 -3.948 -4.602 7.275 114 2HB TYR 14 HB1 TYR 14 -2.642 -3.426 7.194 115 HD1 TYR 14 HD1 TYR 14 -2.402 -1.821 9.215 116 HD2 TYR 14 HD2 TYR 14 -4.618 -5.451 9.334 117 HE1 TYR 14 HE1 TYR 14 -2.228 -1.840 11.668 118 HE2 TYR 14 HE2 TYR 14 -4.450 -5.480 11.786 119 HH TYR 14 HH TYR 14 -3.284 -2.778 13.583 120 H SER 15 HN SER 15 -6.655 -3.842 6.258 121 HA SER 15 HA SER 15 -8.105 -3.747 8.755 122 1HB SER 15 HB1 SER 15 -8.609 -1.544 7.586 123 2HB SER 15 HB2 SER 15 -9.414 -2.491 6.336 124 HG SER 15 HG SER 15 -10.252 -3.250 8.779 125 H ARG 16 HN ARG 16 -10.589 -4.511 7.971 126 HA ARG 16 HA ARG 16 -10.111 -7.193 7.060 127 1HB ARG 16 HB1 ARG 16 -12.368 -7.636 7.587 128 2HB ARG 16 HB2 ARG 16 -11.823 -6.493 8.808 129 1HG ARG 16 HG1 ARG 16 -13.547 -5.201 8.304 130 2HG ARG 16 HG2 ARG 16 -12.855 -4.958 6.699 131 1HD ARG 16 HD1 ARG 16 -15.034 -5.754 6.321 132 2HD ARG 16 HD2 ARG 16 -13.974 -7.136 6.043 133 HE ARG 16 HE ARG 16 -15.026 -6.957 8.721 134 1HH1 ARG 16 HH12 ARG 16 -15.524 -8.176 5.495 135 2HH1 ARG 16 HH11 ARG 16 -16.588 -9.445 6.000 136 1HH2 ARG 16 HH21 ARG 16 -16.427 -8.625 9.395 137 2HH2 ARG 16 HH22 ARG 16 -17.101 -9.701 8.217 138 H GLU 17 HN GLU 17 -10.932 -8.183 5.208 139 HA GLU 17 HA GLU 17 -10.749 -6.743 2.821 140 1HB GLU 17 HB1 GLU 17 -10.626 -9.319 3.320 141 2HB GLU 17 HB2 GLU 17 -12.349 -9.271 2.965 142 1HG GLU 17 HG2 GLU 17 -10.514 -7.981 1.030 143 2HG GLU 17 HG1 GLU 17 -10.522 -9.742 1.107 144 H GLY 18 HN GLY 18 -12.079 -5.114 2.300 145 1HA GLY 18 HA1 GLY 18 -14.452 -5.133 1.219 146 2HA GLY 18 HA2 GLY 18 -14.943 -5.377 2.887 147 H ALA 19 HN ALA 19 -12.319 -3.541 3.232 148 HA ALA 19 HA ALA 19 -13.827 -1.175 3.759 149 1HB ALA 19 HB1 ALA 19 -11.809 -0.244 4.597 150 2HB ALA 19 HB2 ALA 19 -10.828 -1.414 3.713 151 3HB ALA 19 HB3 ALA 19 -11.827 -1.944 5.067 152 H LYS 20 HN LYS 20 -14.468 0.219 2.264 153 HA LYS 20 HA LYS 20 -13.063 0.406 -0.279 154 1HB LYS 20 HB2 LYS 20 -15.553 1.872 0.605 155 2HB LYS 20 HB1 LYS 20 -14.954 1.702 -1.039 156 1HG LYS 20 HG2 LYS 20 -16.526 0.086 -1.104 157 2HG LYS 20 HG1 LYS 20 -15.213 -0.879 -0.428 158 1HD LYS 20 HD2 LYS 20 -16.978 -1.375 0.988 159 2HD LYS 20 HD1 LYS 20 -16.139 -0.090 1.860 160 1HE LYS 20 HE2 LYS 20 -18.492 0.357 1.933 161 2HE LYS 20 HE1 LYS 20 -17.730 1.541 0.872 162 1HZ LYS 20 HZ1 LYS 20 -19.582 -0.617 0.219 163 2HZ LYS 20 HZ2 LYS 20 -18.376 -0.273 -0.916 164 3HZ LYS 20 HZ3 LYS 20 -19.456 0.937 -0.437 165 H THR 21 HN THR 21 -14.083 2.562 2.353 166 HA THR 21 HA THR 21 -11.751 4.228 1.853 167 HB THR 21 HB THR 21 -13.470 6.238 2.196 168 HG1 THR 21 HG1 THR 21 -15.318 5.693 0.812 169 1HG2 THR 21 HG21 THR 21 -13.437 6.691 -0.122 170 2HG2 THR 21 HG22 THR 21 -13.194 4.989 -0.518 171 3HG2 THR 21 HG23 THR 21 -11.910 5.902 0.275 172 H ARG 22 HN ARG 22 -10.798 4.124 3.776 173 HA ARG 22 HA ARG 22 -12.407 4.116 6.203 174 1HB ARG 22 HB2 ARG 22 -10.725 2.977 7.164 175 2HB ARG 22 HB1 ARG 22 -10.137 2.754 5.525 176 1HG ARG 22 HG2 ARG 22 -8.296 3.904 5.943 177 2HG ARG 22 HG1 ARG 22 -9.205 5.251 6.627 178 1HD ARG 22 HD2 ARG 22 -8.103 2.827 7.993 179 2HD ARG 22 HD1 ARG 22 -7.890 4.528 8.404 180 HE ARG 22 HE ARG 22 -10.526 4.183 8.772 181 1HH1 ARG 22 HH21 ARG 22 -7.761 2.357 9.850 182 2HH1 ARG 22 HH22 ARG 22 -8.527 1.813 11.305 183 1HH2 ARG 22 HH12 ARG 22 -11.542 3.471 10.685 184 2HH2 ARG 22 HH11 ARG 22 -10.675 2.446 11.779 185 H LYS 23 HN LYS 23 -10.917 5.430 8.050 186 HA LYS 23 HA LYS 23 -10.319 8.078 6.989 187 1HB LYS 23 HB1 LYS 23 -12.659 8.306 7.442 188 2HB LYS 23 HB2 LYS 23 -12.500 7.503 8.997 189 1HG LYS 23 HG2 LYS 23 -11.002 9.448 9.668 190 2HG LYS 23 HG1 LYS 23 -11.609 10.260 8.223 191 1HD LYS 23 HD2 LYS 23 -13.709 9.072 9.872 192 2HD LYS 23 HD1 LYS 23 -12.784 10.328 10.699 193 1HE LYS 23 HE2 LYS 23 -13.289 11.926 9.009 194 2HE LYS 23 HE1 LYS 23 -13.977 10.688 7.959 195 1HZ LYS 23 HZ1 LYS 23 -15.828 11.677 8.883 196 2HZ LYS 23 HZ2 LYS 23 -15.113 11.877 10.403 197 3HZ LYS 23 HZ3 LYS 23 -15.610 10.341 9.898 198 H CYS 24 HN CYS 24 -8.857 9.198 8.167 199 HA CYS 24 HA CYS 24 -7.617 7.764 10.389 200 1HB CYS 24 HB2 CYS 24 -6.635 9.398 8.230 201 2HB CYS 24 HB1 CYS 24 -6.143 10.097 9.770 202 HG CYS 24 HG CYS 24 -4.366 8.346 8.911 203 H VAL 25 HN VAL 25 -8.056 8.336 12.377 204 HA VAL 25 HA VAL 25 -9.706 10.534 13.023 205 HB VAL 25 HB VAL 25 -10.051 9.359 14.849 206 1HG1 VAL 25 HG21 VAL 25 -9.362 7.186 14.978 207 2HG1 VAL 25 HG22 VAL 25 -7.696 7.571 14.550 208 3HG1 VAL 25 HG23 VAL 25 -8.945 7.547 13.301 209 1HG2 VAL 25 HG11 VAL 25 -8.579 9.390 16.674 210 2HG2 VAL 25 HG12 VAL 25 -8.240 10.860 15.760 211 3HG2 VAL 25 HG13 VAL 25 -7.160 9.472 15.630 212 H CYS 26 HN CYS 26 -6.371 10.299 12.489 213 HA CYS 26 HA CYS 26 -5.456 12.364 14.202 214 1HB CYS 26 HB2 CYS 26 -3.940 10.728 13.145 215 2HB CYS 26 HB1 CYS 26 -4.309 11.413 11.565 216 HG CYS 26 HG CYS 26 -2.340 12.805 12.000 217 H GLY 27 HN GLY 27 -7.246 12.350 11.277 218 1HA GLY 27 HA1 GLY 27 -8.414 14.528 10.903 219 2HA GLY 27 HA2 GLY 27 -6.820 15.261 10.986 220 H ARG 28 HN ARG 28 -8.217 12.462 9.259 221 HA ARG 28 HA ARG 28 -8.003 13.650 6.698 222 1HB ARG 28 HB1 ARG 28 -6.206 11.669 6.128 223 2HB ARG 28 HB2 ARG 28 -5.796 13.365 6.345 224 1HG ARG 28 HG2 ARG 28 -5.083 13.003 8.570 225 2HG ARG 28 HG1 ARG 28 -5.783 11.384 8.602 226 1HD ARG 28 HD2 ARG 28 -4.057 10.464 7.454 227 2HD ARG 28 HD1 ARG 28 -3.779 11.919 6.497 228 HE ARG 28 HE ARG 28 -2.448 11.184 8.892 229 1HH1 ARG 28 HH21 ARG 28 -3.657 13.942 7.137 230 2HH1 ARG 28 HH22 ARG 28 -2.517 15.046 7.829 231 1HH2 ARG 28 HH12 ARG 28 -0.942 12.632 9.810 232 2HH2 ARG 28 HH11 ARG 28 -0.974 14.301 9.349 233 H THR 29 HN THR 29 -7.737 11.559 5.034 234 HA THR 29 HA THR 29 -9.484 9.413 5.984 235 HB THR 29 HB THR 29 -10.022 11.052 3.495 236 HG1 THR 29 HG1 THR 29 -11.310 12.140 4.715 237 1HG2 THR 29 HG21 THR 29 -11.606 9.615 2.828 238 2HG2 THR 29 HG22 THR 29 -12.038 9.154 4.474 239 3HG2 THR 29 HG23 THR 29 -10.618 8.445 3.705 240 H VAL 30 HN VAL 30 -8.976 7.451 5.145 241 HA VAL 30 HA VAL 30 -6.722 7.380 3.274 242 HB VAL 30 HB VAL 30 -7.799 5.096 4.915 243 1HG1 VAL 30 HG21 VAL 30 -5.549 5.459 3.043 244 2HG1 VAL 30 HG22 VAL 30 -6.488 4.016 3.426 245 3HG1 VAL 30 HG23 VAL 30 -5.205 4.549 4.514 246 1HG2 VAL 30 HG11 VAL 30 -7.075 6.366 6.641 247 2HG2 VAL 30 HG12 VAL 30 -6.008 7.332 5.622 248 3HG2 VAL 30 HG13 VAL 30 -5.507 5.724 6.147 249 H ASN 31 HN ASN 31 -7.165 7.064 1.222 250 HA ASN 31 HA ASN 31 -9.623 5.694 0.433 251 1HB ASN 31 HB2 ASN 31 -9.011 7.878 -0.615 252 2HB ASN 31 HB1 ASN 31 -7.590 7.103 -1.310 253 1HD2 ASN 31 HD22 ASN 31 -8.603 7.887 -3.307 254 2HD2 ASN 31 HD21 ASN 31 -9.773 6.880 -4.083 255 H VAL 32 HN VAL 32 -9.553 3.560 0.096 256 HA VAL 32 HA VAL 32 -7.131 2.114 -0.096 257 HB VAL 32 HB VAL 32 -8.375 0.162 -0.231 258 1HG1 VAL 32 HG11 VAL 32 -8.786 1.467 1.831 259 2HG1 VAL 32 HG12 VAL 32 -10.106 0.372 1.425 260 3HG1 VAL 32 HG13 VAL 32 -10.262 2.099 1.100 261 1HG2 VAL 32 HG21 VAL 32 -10.089 -0.192 -1.596 262 2HG2 VAL 32 HG22 VAL 32 -9.883 1.469 -2.156 263 3HG2 VAL 32 HG23 VAL 32 -11.031 1.109 -0.866 264 H LYS 33 HN LYS 33 -7.420 0.265 -2.096 265 HA LYS 33 HA LYS 33 -6.223 1.516 -4.273 266 1HB LYS 33 HB2 LYS 33 -6.810 -1.108 -3.509 267 2HB LYS 33 HB1 LYS 33 -7.615 -0.905 -5.058 268 1HG LYS 33 HG2 LYS 33 -4.942 0.179 -5.128 269 2HG LYS 33 HG1 LYS 33 -4.941 -1.512 -4.622 270 1HD LYS 33 HD2 LYS 33 -6.762 -1.356 -6.744 271 2HD LYS 33 HD1 LYS 33 -5.372 -0.388 -7.237 272 1HE LYS 33 HE1 LYS 33 -4.889 -3.058 -6.013 273 2HE LYS 33 HE2 LYS 33 -5.464 -2.986 -7.678 274 1HZ LYS 33 HZ1 LYS 33 -3.193 -1.301 -6.901 275 2HZ LYS 33 HZ2 LYS 33 -3.548 -2.006 -8.398 276 3HZ LYS 33 HZ3 LYS 33 -2.926 -2.954 -7.142 277 H ASP 34 HN ASP 34 -7.211 0.981 -6.614 278 HA ASP 34 HA ASP 34 -9.592 2.640 -6.774 279 1HB ASP 34 HB2 ASP 34 -7.335 2.045 -8.491 280 2HB ASP 34 HB1 ASP 34 -8.853 1.851 -9.363 281 H ARG 35 HN ARG 35 -8.519 -0.578 -7.814 282 HA ARG 35 HA ARG 35 -11.209 -1.298 -8.633 283 1HB ARG 35 HB2 ARG 35 -8.740 -3.038 -8.474 284 2HB ARG 35 HB1 ARG 35 -10.242 -3.424 -9.300 285 1HG ARG 35 HG2 ARG 35 -9.857 -1.576 -10.857 286 2HG ARG 35 HG1 ARG 35 -8.336 -1.212 -10.036 287 1HD ARG 35 HD1 ARG 35 -7.952 -3.813 -10.531 288 2HD ARG 35 HD2 ARG 35 -9.025 -3.426 -11.874 289 HE ARG 35 HE ARG 35 -6.298 -2.576 -11.530 290 1HH1 ARG 35 HH22 ARG 35 -9.344 -1.901 -13.082 291 2HH1 ARG 35 HH21 ARG 35 -8.630 -0.998 -14.378 292 1HH2 ARG 35 HH12 ARG 35 -5.350 -1.390 -13.231 293 2HH2 ARG 35 HH11 ARG 35 -6.360 -0.709 -14.462 294 H ARG 36 HN ARG 36 -9.488 -3.847 -7.156 295 HA ARG 36 HA ARG 36 -11.514 -4.162 -5.144 296 1HB ARG 36 HB2 ARG 36 -8.997 -5.772 -5.135 297 2HB ARG 36 HB1 ARG 36 -10.644 -6.276 -4.789 298 1HG ARG 36 HG1 ARG 36 -10.940 -6.964 -6.872 299 2HG ARG 36 HG2 ARG 36 -10.415 -5.408 -7.518 300 1HD ARG 36 HD2 ARG 36 -8.079 -6.112 -7.296 301 2HD ARG 36 HD1 ARG 36 -8.612 -7.674 -6.675 302 HE ARG 36 HE ARG 36 -9.799 -7.161 -9.189 303 1HH1 ARG 36 HH11 ARG 36 -6.756 -8.034 -7.733 304 2HH1 ARG 36 HH12 ARG 36 -6.184 -8.882 -9.130 305 1HH2 ARG 36 HH21 ARG 36 -9.054 -8.275 -11.033 306 2HH2 ARG 36 HH22 ARG 36 -7.491 -9.020 -11.005 307 H ILE 37 HN ILE 37 -8.149 -4.738 -4.408 308 HA ILE 37 HA ILE 37 -7.911 -2.454 -2.645 309 HB ILE 37 HB ILE 37 -8.791 -5.029 -1.650 310 1HG1 ILE 37 HG12 ILE 37 -9.644 -2.671 -1.172 311 2HG1 ILE 37 HG11 ILE 37 -9.498 -3.756 0.207 312 1HG2 ILE 37 HG21 ILE 37 -7.292 -5.381 0.157 313 2HG2 ILE 37 HG22 ILE 37 -6.384 -3.917 -0.224 314 3HG2 ILE 37 HG23 ILE 37 -6.323 -5.303 -1.313 315 1HD1 ILE 37 HD11 ILE 37 -8.715 -1.591 0.832 316 2HD1 ILE 37 HD12 ILE 37 -7.624 -1.535 -0.554 317 3HD1 ILE 37 HD13 ILE 37 -7.335 -2.686 0.752 318 H PHE 38 HN PHE 38 -5.772 -2.227 -1.768 319 HA PHE 38 HA PHE 38 -3.755 -3.513 -3.441 320 1HB PHE 38 HB1 PHE 38 -3.969 -0.941 -2.814 321 2HB PHE 38 HB2 PHE 38 -3.060 -1.450 -1.394 322 HD1 PHE 38 HD1 PHE 38 -2.914 -0.637 -4.886 323 HD2 PHE 38 HD2 PHE 38 -0.833 -2.562 -1.712 324 HE1 PHE 38 HE1 PHE 38 -0.827 -0.510 -6.183 325 HE2 PHE 38 HE2 PHE 38 1.258 -2.440 -3.004 326 HZ PHE 38 HZ PHE 38 1.262 -1.412 -5.242 327 H GLY 39 HN GLY 39 -1.962 -4.612 -2.572 328 1HA GLY 39 HA1 GLY 39 -1.052 -6.226 -1.207 329 2HA GLY 39 HA2 GLY 39 -1.237 -4.995 0.032 330 H ARG 40 HN ARG 40 -2.563 -7.903 -1.352 331 HA ARG 40 HA ARG 40 -4.726 -7.971 0.603 332 1HB ARG 40 HB1 ARG 40 -4.610 -8.862 -1.968 333 2HB ARG 40 HB2 ARG 40 -4.253 -10.341 -1.087 334 1HG ARG 40 HG1 ARG 40 -6.580 -8.688 -0.246 335 2HG ARG 40 HG2 ARG 40 -6.712 -9.702 -1.685 336 1HD ARG 40 HD1 ARG 40 -5.697 -10.804 0.912 337 2HD ARG 40 HD2 ARG 40 -7.425 -10.692 0.579 338 HE ARG 40 HE ARG 40 -5.504 -12.304 -0.969 339 1HH1 ARG 40 HH12 ARG 40 -8.747 -11.609 0.106 340 2HH1 ARG 40 HH11 ARG 40 -9.426 -13.034 -0.609 341 1HH2 ARG 40 HH21 ARG 40 -6.390 -14.180 -1.911 342 2HH2 ARG 40 HH22 ARG 40 -8.086 -14.495 -1.755 343 H ALA 41 HN ALA 41 -3.585 -8.185 2.517 344 HA ALA 41 HA ALA 41 -1.805 -10.481 2.819 345 1HB ALA 41 HB1 ALA 41 -1.354 -9.465 5.068 346 2HB ALA 41 HB2 ALA 41 -2.387 -8.115 4.587 347 3HB ALA 41 HB3 ALA 41 -0.909 -8.461 3.686 348 H ASP 42 HN ASP 42 -2.722 -12.349 3.360 349 HA ASP 42 HA ASP 42 -5.236 -12.440 4.777 350 1HB ASP 42 HB1 ASP 42 -4.171 -15.029 4.688 351 2HB ASP 42 HB2 ASP 42 -5.370 -14.341 3.598 352 H ASP 43 HN ASP 43 -1.839 -12.920 5.436 353 HA ASP 43 HA ASP 43 -2.361 -13.870 8.142 354 1HB ASP 43 HB2 ASP 43 -0.326 -14.378 6.355 355 2HB ASP 43 HB1 ASP 43 0.414 -13.215 7.452 356 H PHE 44 HN PHE 44 -2.276 -12.622 9.922 357 HA PHE 44 HA PHE 44 -2.362 -9.837 9.777 358 1HB PHE 44 HB1 PHE 44 -3.308 -10.902 11.688 359 2HB PHE 44 HB2 PHE 44 -1.789 -11.701 12.082 360 HD1 PHE 44 HD1 PHE 44 -3.097 -8.236 11.600 361 HD2 PHE 44 HD2 PHE 44 -0.580 -10.848 13.825 362 HE1 PHE 44 HE1 PHE 44 -2.516 -6.382 13.111 363 HE2 PHE 44 HE2 PHE 44 0.006 -9.001 15.340 364 HZ PHE 44 HZ PHE 44 -0.962 -6.764 14.985 365 H GLU 45 HN GLU 45 0.332 -12.033 10.244 366 HA GLU 45 HA GLU 45 2.252 -10.101 11.017 367 1HB GLU 45 HB1 GLU 45 2.217 -12.924 10.305 368 2HB GLU 45 HB2 GLU 45 3.649 -12.110 9.689 369 1HG GLU 45 HG2 GLU 45 3.441 -11.186 12.280 370 2HG GLU 45 HG1 GLU 45 2.963 -12.879 12.397 371 H GLU 46 HN GLU 46 1.341 -11.476 7.881 372 HA GLU 46 HA GLU 46 3.292 -10.070 6.376 373 1HB GLU 46 HB1 GLU 46 1.023 -11.829 5.844 374 2HB GLU 46 HB2 GLU 46 1.194 -10.566 4.633 375 1HG GLU 46 HG1 GLU 46 2.645 -11.929 3.649 376 2HG GLU 46 HG2 GLU 46 3.766 -11.452 4.924 377 H ALA 47 HN ALA 47 0.187 -9.233 7.646 378 HA ALA 47 HA ALA 47 -0.553 -7.151 5.928 379 1HB ALA 47 HB1 ALA 47 -2.292 -7.582 7.299 380 2HB ALA 47 HB2 ALA 47 -1.568 -6.303 8.273 381 3HB ALA 47 HB3 ALA 47 -1.254 -7.994 8.664 382 H SER 48 HN SER 48 1.224 -6.994 9.013 383 HA SER 48 HA SER 48 1.697 -4.241 8.994 384 1HB SER 48 HB2 SER 48 2.566 -6.533 10.532 385 2HB SER 48 HB1 SER 48 3.900 -5.409 10.281 386 HG SER 48 HG SER 48 1.522 -4.209 10.957 387 H GLU 49 HN GLU 49 3.575 -6.902 7.623 388 HA GLU 49 HA GLU 49 5.816 -5.326 6.889 389 1HB GLU 49 HB2 GLU 49 5.081 -8.059 6.787 390 2HB GLU 49 HB1 GLU 49 5.515 -7.587 5.150 391 1HG GLU 49 HG2 GLU 49 7.670 -6.782 5.932 392 2HG GLU 49 HG1 GLU 49 7.234 -7.193 7.589 393 H LEU 50 HN LEU 50 2.832 -6.197 5.250 394 HA LEU 50 HA LEU 50 3.592 -5.280 2.675 395 1HB LEU 50 HB1 LEU 50 1.191 -6.291 3.976 396 2HB LEU 50 HB2 LEU 50 0.832 -5.029 2.814 397 HG LEU 50 HG LEU 50 2.081 -6.323 1.089 398 1HD1 LEU 50 HD21 LEU 50 2.061 -8.893 2.162 399 2HD1 LEU 50 HD22 LEU 50 2.803 -7.883 3.403 400 3HD1 LEU 50 HD23 LEU 50 3.473 -7.912 1.772 401 1HD2 LEU 50 HD11 LEU 50 0.357 -8.324 1.196 402 2HD2 LEU 50 HD12 LEU 50 -0.153 -6.677 0.820 403 3HD2 LEU 50 HD13 LEU 50 -0.364 -7.316 2.450 404 H VAL 51 HN VAL 51 1.831 -3.786 5.356 405 HA VAL 51 HA VAL 51 1.240 -1.349 4.087 406 HB VAL 51 HB VAL 51 1.619 -1.948 7.019 407 1HG1 VAL 51 HG21 VAL 51 1.630 0.292 7.204 408 2HG1 VAL 51 HG22 VAL 51 -0.105 0.137 6.932 409 3HG1 VAL 51 HG23 VAL 51 0.966 0.531 5.588 410 1HG2 VAL 51 HG11 VAL 51 -0.978 -1.755 6.847 411 2HG2 VAL 51 HG12 VAL 51 -0.170 -3.258 6.401 412 3HG2 VAL 51 HG13 VAL 51 -0.697 -2.134 5.147 413 H ARG 52 HN ARG 52 3.969 -2.320 6.153 414 HA ARG 52 HA ARG 52 5.220 0.192 6.265 415 1HB ARG 52 HB1 ARG 52 5.877 -2.551 6.974 416 2HB ARG 52 HB2 ARG 52 7.279 -1.689 6.356 417 1HG ARG 52 HG2 ARG 52 6.256 0.149 8.064 418 2HG ARG 52 HG1 ARG 52 5.818 -1.357 8.874 419 1HD ARG 52 HD1 ARG 52 7.965 -0.666 9.679 420 2HD ARG 52 HD2 ARG 52 8.182 -2.091 8.664 421 HE ARG 52 HE ARG 52 9.356 -0.812 7.155 422 1HH1 ARG 52 HH21 ARG 52 7.795 1.258 9.483 423 2HH1 ARG 52 HH22 ARG 52 8.641 2.682 8.976 424 1HH2 ARG 52 HH11 ARG 52 10.474 1.056 6.481 425 2HH2 ARG 52 HH12 ARG 52 10.164 2.567 7.270 426 H LYS 53 HN LYS 53 5.577 -2.503 3.994 427 HA LYS 53 HA LYS 53 7.621 -1.286 2.434 428 1HB LYS 53 HB2 LYS 53 6.039 -3.704 2.356 429 2HB LYS 53 HB1 LYS 53 6.116 -2.975 0.759 430 1HG LYS 53 HG1 LYS 53 7.993 -4.211 0.621 431 2HG LYS 53 HG2 LYS 53 8.698 -2.808 1.428 432 1HD LYS 53 HD2 LYS 53 9.200 -4.010 3.232 433 2HD LYS 53 HD1 LYS 53 7.549 -4.625 3.348 434 1HE LYS 53 HE2 LYS 53 8.013 -6.453 1.951 435 2HE LYS 53 HE1 LYS 53 9.511 -5.730 1.365 436 1HZ LYS 53 HZ1 LYS 53 10.651 -6.379 3.195 437 2HZ LYS 53 HZ2 LYS 53 9.486 -7.604 3.202 438 3HZ LYS 53 HZ3 LYS 53 9.315 -6.270 4.227 439 H LEU 54 HN LEU 54 4.135 -1.192 2.483 440 HA LEU 54 HA LEU 54 3.747 0.140 0.002 441 1HB LEU 54 HB1 LEU 54 2.144 -0.741 2.243 442 2HB LEU 54 HB2 LEU 54 1.662 0.864 1.736 443 HG LEU 54 HG LEU 54 0.335 -0.918 0.667 444 1HD1 LEU 54 HD11 LEU 54 0.304 1.024 -0.579 445 2HD1 LEU 54 HD12 LEU 54 0.870 -0.165 -1.753 446 3HD1 LEU 54 HD13 LEU 54 2.020 0.922 -0.974 447 1HD2 LEU 54 HD21 LEU 54 2.788 -2.198 0.393 448 2HD2 LEU 54 HD22 LEU 54 2.318 -1.758 -1.248 449 3HD2 LEU 54 HD23 LEU 54 1.234 -2.727 -0.250 450 H GLN 55 HN GLN 55 4.741 1.144 3.145 451 HA GLN 55 HA GLN 55 3.953 3.853 3.025 452 1HB GLN 55 HB1 GLN 55 5.697 2.206 4.727 453 2HB GLN 55 HB2 GLN 55 6.142 3.902 4.644 454 1HG GLN 55 HG1 GLN 55 4.072 4.596 5.516 455 2HG GLN 55 HG2 GLN 55 3.345 3.010 5.262 456 1HE2 GLN 55 HE22 GLN 55 4.967 5.032 7.422 457 2HE2 GLN 55 HE21 GLN 55 5.229 3.885 8.687 458 H GLU 56 HN GLU 56 6.079 5.406 3.521 459 HA GLU 56 HA GLU 56 7.212 5.750 0.899 460 1HB GLU 56 HB1 GLU 56 6.470 7.682 2.221 461 2HB GLU 56 HB2 GLU 56 7.663 7.304 3.455 462 1HG GLU 56 HG1 GLU 56 9.462 7.821 1.987 463 2HG GLU 56 HG2 GLU 56 8.372 7.949 0.607 464 H GLU 57 HN GLU 57 8.762 4.324 0.376 465 HA GLU 57 HA GLU 57 10.706 3.376 2.258 466 1HB GLU 57 HB1 GLU 57 10.731 3.127 -0.756 467 2HB GLU 57 HB2 GLU 57 11.648 2.154 0.387 468 1HG GLU 57 HG2 GLU 57 8.841 2.038 0.991 469 2HG GLU 57 HG1 GLU 57 9.136 1.603 -0.691 470 H LYS 58 HN LYS 58 13.013 3.669 2.063 471 HA LYS 58 HA LYS 58 13.700 6.410 1.602 472 1HB LYS 58 HB1 LYS 58 15.355 4.032 2.450 473 2HB LYS 58 HB2 LYS 58 15.984 5.670 2.333 474 1HG LYS 58 HG2 LYS 58 14.216 6.358 3.978 475 2HG LYS 58 HG1 LYS 58 13.869 4.642 4.204 476 1HD LYS 58 HD1 LYS 58 15.365 5.068 5.917 477 2HD LYS 58 HD2 LYS 58 16.420 4.448 4.644 478 1HE LYS 58 HE2 LYS 58 17.590 6.310 5.297 479 2HE LYS 58 HE1 LYS 58 16.608 6.978 3.994 480 1HZ LYS 58 HZ1 LYS 58 16.605 8.383 5.975 481 2HZ LYS 58 HZ2 LYS 58 15.933 7.123 6.881 482 3HZ LYS 58 HZ3 LYS 58 15.052 7.818 5.615 483 H TYR 59 HN TYR 59 14.880 7.292 -0.014 484 HA TYR 59 HA TYR 59 15.289 5.647 -2.381 485 1HB TYR 59 HB1 TYR 59 14.778 8.463 -1.846 486 2HB TYR 59 HB2 TYR 59 16.093 8.240 -2.994 487 HD1 TYR 59 HD1 TYR 59 15.472 8.314 -5.205 488 HD2 TYR 59 HD2 TYR 59 12.727 6.720 -2.370 489 HE1 TYR 59 HE1 TYR 59 13.842 7.932 -7.006 490 HE2 TYR 59 HE2 TYR 59 11.090 6.334 -4.164 491 HH TYR 59 HH TYR 59 11.589 6.022 -7.076 492 H GLY 60 HN GLY 60 17.076 6.570 0.265 493 1HA GLY 60 HA1 GLY 60 19.606 6.563 -1.251 494 2HA GLY 60 HA2 GLY 60 19.404 7.235 0.361 495 H SER 61 HN SER 61 19.025 4.137 -1.358 496 HA SER 61 HA SER 61 19.658 2.684 1.078 497 1HB SER 61 HB2 SER 61 17.969 2.106 -0.962 498 2HB SER 61 HB1 SER 61 19.396 1.203 -1.472 499 HG SER 61 HG SER 61 17.855 0.084 -0.045 500 H CYS 62 HN CYS 62 21.465 1.440 1.411 501 HA CYS 62 HA CYS 62 23.644 1.779 -0.543 502 1HB CYS 62 HB1 CYS 62 23.705 1.766 2.472 503 2HB CYS 62 HB2 CYS 62 25.154 1.506 1.506 504 HG CYS 62 HG CYS 62 23.771 4.096 0.768 505 H HIS 63 HN HIS 63 25.286 0.049 -0.509 506 HA HIS 63 HA HIS 63 23.972 -2.547 -0.239 507 1HB HIS 63 HB1 HIS 63 26.075 -1.429 -1.964 508 2HB HIS 63 HB2 HIS 63 26.396 -3.068 -1.402 509 HD2 HIS 63 HD2 HIS 63 23.841 -4.697 -1.813 510 HE1 HIS 63 HE1 HIS 63 23.353 -2.732 -5.530 511 HE2 HIS 63 HE2 HIS 63 22.657 -4.724 -4.122 512 H PHE 64 HN PHE 64 25.849 -0.623 1.634 513 HA PHE 64 HA PHE 64 27.749 -2.509 2.637 514 1HB PHE 64 HB2 PHE 64 27.872 0.052 2.767 515 2HB PHE 64 HB1 PHE 64 26.753 -0.080 4.120 516 HD1 PHE 64 HD1 PHE 64 27.534 -0.515 6.265 517 HD2 PHE 64 HD2 PHE 64 30.076 -1.220 2.926 518 HE1 PHE 64 HE1 PHE 64 29.420 -0.923 7.792 519 HE2 PHE 64 HE2 PHE 64 31.966 -1.630 4.446 520 HZ PHE 64 HZ PHE 64 31.640 -1.482 6.883 521 H THR 65 HN THR 65 24.561 -1.380 3.670 522 HA THR 65 HA THR 65 24.571 -3.311 5.870 523 HB THR 65 HB THR 65 22.477 -1.235 5.200 524 HG1 THR 65 HG1 THR 65 24.904 -0.799 6.029 525 1HG2 THR 65 HG21 THR 65 22.069 -3.256 6.842 526 2HG2 THR 65 HG22 THR 65 21.478 -1.632 7.192 527 3HG2 THR 65 HG23 THR 65 22.960 -2.214 7.950 528 H ASN 66 HN ASN 66 24.269 -5.262 4.838 529 HA ASN 66 HA ASN 66 22.350 -5.707 2.804 530 1HB ASN 66 HB2 ASN 66 24.122 -7.387 4.490 531 2HB ASN 66 HB1 ASN 66 22.711 -8.186 3.799 532 1HD2 ASN 66 HD21 ASN 66 25.598 -6.341 3.035 533 2HD2 ASN 66 HD22 ASN 66 25.766 -6.923 1.417 534 HA PRO 67 HA PRO 67 18.531 -5.951 4.995 535 1HB PRO 67 HB2 PRO 67 17.897 -8.291 3.283 536 2HB PRO 67 HB1 PRO 67 17.015 -6.774 3.490 537 1HG PRO 67 HG1 PRO 67 18.408 -7.250 1.267 538 2HG PRO 67 HG2 PRO 67 18.369 -5.631 1.992 539 1HD PRO 67 HD1 PRO 67 20.523 -7.707 2.100 540 2HD PRO 67 HD2 PRO 67 20.663 -5.945 1.918 541 H SER 68 HN SER 68 20.161 -9.036 4.331 542 HA SER 68 HA SER 68 18.877 -10.342 6.563 543 1HB SER 68 HB1 SER 68 20.089 -12.309 5.895 544 2HB SER 68 HB2 SER 68 19.505 -11.523 4.428 545 HG SER 68 HG SER 68 21.908 -10.539 5.046 546 H LYS 69 HN LYS 69 21.369 -8.191 6.302 547 HA LYS 69 HA LYS 69 23.062 -9.365 8.353 548 1HB LYS 69 HB1 LYS 69 23.531 -7.629 6.241 549 2HB LYS 69 HB2 LYS 69 23.613 -6.587 7.655 550 1HG LYS 69 HG2 LYS 69 25.124 -8.622 8.523 551 2HG LYS 69 HG1 LYS 69 25.414 -8.754 6.786 552 1HD LYS 69 HD2 LYS 69 27.060 -7.269 7.322 553 2HD LYS 69 HD1 LYS 69 25.742 -6.136 7.014 554 1HE LYS 69 HE1 LYS 69 25.606 -5.513 9.169 555 2HE LYS 69 HE2 LYS 69 25.862 -7.155 9.761 556 1HZ LYS 69 HZ1 LYS 69 28.271 -6.457 8.708 557 2HZ LYS 69 HZ2 LYS 69 27.869 -6.444 10.352 558 3HZ LYS 69 HZ3 LYS 69 27.746 -5.025 9.439 559 H ARG 70 HN ARG 70 23.661 -8.089 10.272 560 HA ARG 70 HA ARG 70 21.283 -7.098 11.574 561 1HB ARG 70 HB2 ARG 70 23.776 -8.256 12.387 562 2HB ARG 70 HB1 ARG 70 23.551 -6.732 13.234 563 1HG ARG 70 HG1 ARG 70 22.545 -8.207 14.668 564 2HG ARG 70 HG2 ARG 70 21.167 -7.661 13.711 565 1HD ARG 70 HD2 ARG 70 21.466 -9.655 12.255 566 2HD ARG 70 HD1 ARG 70 22.725 -10.217 13.354 567 HE ARG 70 HE ARG 70 21.079 -10.594 15.006 568 1HH1 ARG 70 HH11 ARG 70 19.753 -9.537 11.960 569 2HH1 ARG 70 HH12 ARG 70 18.148 -10.077 12.326 570 1HH2 ARG 70 HH21 ARG 70 18.971 -11.307 15.493 571 2HH2 ARG 70 HH22 ARG 70 17.704 -11.083 14.334 572 H GLU 71 HN GLU 71 24.451 -5.695 12.154 573 HA GLU 71 HA GLU 71 23.297 -3.040 11.829 574 1HB GLU 71 HB2 GLU 71 24.808 -3.887 13.794 575 2HB GLU 71 HB1 GLU 71 26.126 -3.543 12.684 576 1HG GLU 71 HG2 GLU 71 26.076 -1.464 13.444 577 2HG GLU 71 HG1 GLU 71 24.554 -1.271 12.574 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -9.136 -13.041 7.075 2 2H MET 1 HT2 MET 1 -9.489 -13.648 5.509 3 3H MET 1 HT3 MET 1 -10.053 -12.097 5.976 4 HA MET 1 HA MET 1 -7.201 -12.656 6.048 5 1HB MET 1 HB2 MET 1 -7.128 -11.892 3.645 6 2HB MET 1 HB1 MET 1 -7.781 -13.505 3.892 7 1HG MET 1 HG2 MET 1 -9.987 -11.810 4.007 8 2HG MET 1 HG1 MET 1 -8.997 -11.194 2.685 9 1HE MET 1 HE1 MET 1 -11.604 -14.854 2.783 10 2HE MET 1 HE2 MET 1 -11.457 -13.538 3.947 11 3HE MET 1 HE3 MET 1 -10.323 -14.888 3.994 12 H TYR 2 HN TYR 2 -6.246 -10.526 4.895 13 HA TYR 2 HA TYR 2 -7.730 -8.210 5.939 14 1HB TYR 2 HB2 TYR 2 -5.068 -9.186 6.699 15 2HB TYR 2 HB1 TYR 2 -5.089 -7.485 6.254 16 HD1 TYR 2 HD1 TYR 2 -8.265 -7.910 7.434 17 HD2 TYR 2 HD2 TYR 2 -4.257 -7.910 8.866 18 HE1 TYR 2 HE1 TYR 2 -9.073 -7.330 9.682 19 HE2 TYR 2 HE2 TYR 2 -5.058 -7.329 11.118 20 HH TYR 2 HH TYR 2 -8.128 -7.671 12.125 21 H ILE 3 HN ILE 3 -7.044 -6.149 5.015 22 HA ILE 3 HA ILE 3 -5.922 -6.405 2.300 23 HB ILE 3 HB ILE 3 -7.503 -4.589 1.614 24 1HG1 ILE 3 HG11 ILE 3 -9.173 -5.271 4.008 25 2HG1 ILE 3 HG12 ILE 3 -7.922 -4.039 4.145 26 1HG2 ILE 3 HG21 ILE 3 -7.951 -6.918 1.050 27 2HG2 ILE 3 HG22 ILE 3 -9.447 -6.032 1.348 28 3HG2 ILE 3 HG23 ILE 3 -8.812 -7.127 2.577 29 1HD1 ILE 3 HD11 ILE 3 -8.972 -2.655 2.564 30 2HD1 ILE 3 HD12 ILE 3 -10.252 -3.233 3.631 31 3HD1 ILE 3 HD13 ILE 3 -10.047 -3.948 2.032 32 H ILE 4 HN ILE 4 -5.062 -4.350 1.443 33 HA ILE 4 HA ILE 4 -4.263 -2.472 3.564 34 HB ILE 4 HB ILE 4 -2.545 -3.872 1.564 35 1HG1 ILE 4 HG11 ILE 4 -1.019 -3.376 3.743 36 2HG1 ILE 4 HG12 ILE 4 -2.618 -3.347 4.479 37 1HG2 ILE 4 HG21 ILE 4 -2.381 -1.014 2.169 38 2HG2 ILE 4 HG22 ILE 4 -1.664 -1.942 0.851 39 3HG2 ILE 4 HG23 ILE 4 -0.878 -1.901 2.432 40 1HD1 ILE 4 HD11 ILE 4 -1.913 -5.615 2.696 41 2HD1 ILE 4 HD12 ILE 4 -2.986 -5.564 4.094 42 3HD1 ILE 4 HD13 ILE 4 -1.238 -5.560 4.324 43 H PHE 5 HN PHE 5 -4.003 -0.289 2.908 44 HA PHE 5 HA PHE 5 -4.863 0.385 0.194 45 1HB PHE 5 HB1 PHE 5 -6.245 2.253 1.653 46 2HB PHE 5 HB2 PHE 5 -6.942 0.814 0.924 47 HD1 PHE 5 HD1 PHE 5 -7.218 -1.254 2.335 48 HD2 PHE 5 HD2 PHE 5 -6.249 2.556 3.962 49 HE1 PHE 5 HE1 PHE 5 -7.971 -2.011 4.551 50 HE2 PHE 5 HE2 PHE 5 -7.001 1.805 6.177 51 HZ PHE 5 HZ PHE 5 -7.861 -0.477 6.475 52 H ARG 6 HN ARG 6 -5.117 3.128 0.474 53 HA ARG 6 HA ARG 6 -2.579 4.007 1.662 54 1HB ARG 6 HB2 ARG 6 -3.299 3.943 -1.200 55 2HB ARG 6 HB1 ARG 6 -2.585 5.449 -0.641 56 1HG ARG 6 HG1 ARG 6 -0.560 4.489 -0.197 57 2HG ARG 6 HG2 ARG 6 -1.255 2.891 0.084 58 1HD ARG 6 HD2 ARG 6 0.012 2.900 -1.984 59 2HD ARG 6 HD1 ARG 6 -1.705 2.677 -2.320 60 HE ARG 6 HE ARG 6 -1.769 4.773 -3.315 61 1HH1 ARG 6 HH11 ARG 6 1.354 4.173 -1.889 62 2HH1 ARG 6 HH12 ARG 6 2.120 5.499 -2.697 63 1HH2 ARG 6 HH22 ARG 6 -0.769 6.521 -4.382 64 2HH2 ARG 6 HH21 ARG 6 0.914 6.834 -4.115 65 H CYS 7 HN CYS 7 -2.752 5.862 2.745 66 HA CYS 7 HA CYS 7 -5.233 7.299 2.764 67 1HB CYS 7 HB2 CYS 7 -3.527 6.859 4.716 68 2HB CYS 7 HB1 CYS 7 -2.756 8.317 4.100 69 HG CYS 7 HG CYS 7 -5.091 8.303 5.902 70 H ASP 8 HN ASP 8 -5.260 9.717 2.552 71 HA ASP 8 HA ASP 8 -4.416 10.473 0.003 72 1HB ASP 8 HB2 ASP 8 -5.227 12.682 0.536 73 2HB ASP 8 HB1 ASP 8 -6.305 11.502 1.277 74 H CYS 9 HN CYS 9 -2.854 10.806 3.103 75 HA CYS 9 HA CYS 9 -0.838 12.650 2.244 76 1HB CYS 9 HB2 CYS 9 -0.975 10.763 4.603 77 2HB CYS 9 HB1 CYS 9 0.305 11.949 4.360 78 HG CYS 9 HG CYS 9 -2.214 13.470 4.370 79 H GLY 10 HN GLY 10 -1.461 9.690 1.176 80 1HA GLY 10 HA1 GLY 10 -0.158 8.322 -0.192 81 2HA GLY 10 HA2 GLY 10 1.272 9.206 0.329 82 H ARG 11 HN ARG 11 -0.832 8.196 2.806 83 HA ARG 11 HA ARG 11 1.196 6.432 3.877 84 1HB ARG 11 HB1 ARG 11 -1.538 6.947 5.040 85 2HB ARG 11 HB2 ARG 11 -0.092 6.401 5.878 86 1HG ARG 11 HG2 ARG 11 0.913 8.662 5.167 87 2HG ARG 11 HG1 ARG 11 -0.761 9.135 4.864 88 1HD ARG 11 HD2 ARG 11 -0.898 9.652 7.024 89 2HD ARG 11 HD1 ARG 11 -0.831 7.923 7.357 90 HE ARG 11 HE ARG 11 1.500 8.137 7.788 91 1HH1 ARG 11 HH12 ARG 11 -0.145 11.167 7.280 92 2HH1 ARG 11 HH11 ARG 11 1.090 12.112 8.040 93 1HH2 ARG 11 HH22 ARG 11 3.133 9.375 8.790 94 2HH2 ARG 11 HH21 ARG 11 2.954 11.095 8.898 95 H ALA 12 HN ALA 12 -0.312 4.568 5.244 96 HA ALA 12 HA ALA 12 -2.022 3.128 3.434 97 1HB ALA 12 HB1 ALA 12 -0.479 1.881 2.439 98 2HB ALA 12 HB2 ALA 12 -0.108 1.168 4.009 99 3HB ALA 12 HB3 ALA 12 0.796 2.572 3.443 100 H LEU 13 HN LEU 13 -3.107 1.364 4.453 101 HA LEU 13 HA LEU 13 -2.469 0.867 7.259 102 1HB LEU 13 HB1 LEU 13 -4.904 2.247 6.289 103 2HB LEU 13 HB2 LEU 13 -5.127 1.041 7.542 104 HG LEU 13 HG LEU 13 -2.997 3.054 8.002 105 1HD1 LEU 13 HD21 LEU 13 -5.838 3.731 7.596 106 2HD1 LEU 13 HD22 LEU 13 -4.396 4.737 7.454 107 3HD1 LEU 13 HD23 LEU 13 -5.078 4.394 9.044 108 1HD2 LEU 13 HD11 LEU 13 -5.110 2.318 9.952 109 2HD2 LEU 13 HD12 LEU 13 -3.389 2.607 10.201 110 3HD2 LEU 13 HD13 LEU 13 -3.933 1.085 9.498 111 H TYR 14 HN TYR 14 -4.532 -0.653 8.051 112 HA TYR 14 HA TYR 14 -4.924 -2.733 6.017 113 1HB TYR 14 HB2 TYR 14 -4.329 -4.465 7.728 114 2HB TYR 14 HB1 TYR 14 -2.970 -3.480 7.196 115 HD1 TYR 14 HD1 TYR 14 -2.036 -1.746 8.695 116 HD2 TYR 14 HD2 TYR 14 -5.071 -4.425 10.003 117 HE1 TYR 14 HE1 TYR 14 -1.524 -1.176 11.031 118 HE2 TYR 14 HE2 TYR 14 -4.567 -3.863 12.343 119 HH TYR 14 HH TYR 14 -3.322 -1.473 13.435 120 H SER 15 HN SER 15 -6.835 -3.835 6.181 121 HA SER 15 HA SER 15 -8.442 -3.729 8.575 122 1HB SER 15 HB1 SER 15 -8.935 -1.555 7.410 123 2HB SER 15 HB2 SER 15 -9.556 -2.489 6.048 124 HG SER 15 HG SER 15 -11.325 -2.841 7.122 125 H ARG 16 HN ARG 16 -10.815 -4.633 7.785 126 HA ARG 16 HA ARG 16 -10.217 -7.273 6.846 127 1HB ARG 16 HB1 ARG 16 -12.514 -7.785 7.268 128 2HB ARG 16 HB2 ARG 16 -11.930 -6.783 8.588 129 1HG ARG 16 HG1 ARG 16 -12.972 -5.009 6.694 130 2HG ARG 16 HG2 ARG 16 -14.123 -6.344 6.799 131 1HD ARG 16 HD1 ARG 16 -14.055 -6.095 9.283 132 2HD ARG 16 HD2 ARG 16 -13.080 -4.645 9.054 133 HE ARG 16 HE ARG 16 -14.955 -3.529 8.236 134 1HH1 ARG 16 HH11 ARG 16 -15.671 -6.869 8.929 135 2HH1 ARG 16 HH12 ARG 16 -17.388 -6.649 8.858 136 1HH2 ARG 16 HH22 ARG 16 -17.213 -3.231 8.141 137 2HH2 ARG 16 HH21 ARG 16 -18.263 -4.582 8.410 138 H GLU 17 HN GLU 17 -11.104 -8.311 5.010 139 HA GLU 17 HA GLU 17 -10.896 -6.902 2.610 140 1HB GLU 17 HB1 GLU 17 -10.595 -9.310 2.709 141 2HB GLU 17 HB2 GLU 17 -12.270 -9.531 3.194 142 1HG GLU 17 HG2 GLU 17 -12.425 -8.107 0.820 143 2HG GLU 17 HG1 GLU 17 -11.127 -9.272 0.556 144 H GLY 18 HN GLY 18 -12.188 -5.249 2.061 145 1HA GLY 18 HA1 GLY 18 -14.535 -5.177 0.970 146 2HA GLY 18 HA2 GLY 18 -15.068 -5.473 2.618 147 H ALA 19 HN ALA 19 -12.436 -3.685 3.099 148 HA ALA 19 HA ALA 19 -13.932 -1.317 3.657 149 1HB ALA 19 HB1 ALA 19 -11.818 -2.308 4.842 150 2HB ALA 19 HB2 ALA 19 -12.084 -0.565 4.787 151 3HB ALA 19 HB3 ALA 19 -10.955 -1.321 3.663 152 H LYS 20 HN LYS 20 -14.488 0.158 2.209 153 HA LYS 20 HA LYS 20 -13.046 0.377 -0.301 154 1HB LYS 20 HB2 LYS 20 -15.319 2.180 0.375 155 2HB LYS 20 HB1 LYS 20 -14.906 1.426 -1.158 156 1HG LYS 20 HG1 LYS 20 -15.951 -0.120 1.193 157 2HG LYS 20 HG2 LYS 20 -16.997 0.588 -0.040 158 1HD LYS 20 HD2 LYS 20 -15.589 -0.690 -1.734 159 2HD LYS 20 HD1 LYS 20 -14.930 -1.572 -0.354 160 1HE LYS 20 HE1 LYS 20 -16.738 -2.847 -1.278 161 2HE LYS 20 HE2 LYS 20 -17.248 -2.198 0.280 162 1HZ LYS 20 HZ1 LYS 20 -18.601 -1.967 -2.072 163 2HZ LYS 20 HZ2 LYS 20 -17.880 -0.447 -1.891 164 3HZ LYS 20 HZ3 LYS 20 -18.883 -1.058 -0.673 165 H THR 21 HN THR 21 -13.855 2.411 2.479 166 HA THR 21 HA THR 21 -11.500 4.034 1.965 167 HB THR 21 HB THR 21 -13.060 6.102 2.461 168 HG1 THR 21 HG1 THR 21 -15.114 5.852 1.926 169 1HG2 THR 21 HG21 THR 21 -13.157 4.909 -0.290 170 2HG2 THR 21 HG22 THR 21 -11.744 5.727 0.376 171 3HG2 THR 21 HG23 THR 21 -13.254 6.611 0.160 172 H ARG 22 HN ARG 22 -10.445 4.141 3.858 173 HA ARG 22 HA ARG 22 -11.981 3.769 6.317 174 1HB ARG 22 HB1 ARG 22 -9.405 2.927 5.441 175 2HB ARG 22 HB2 ARG 22 -9.192 3.961 6.848 176 1HG ARG 22 HG2 ARG 22 -11.333 2.001 7.150 177 2HG ARG 22 HG1 ARG 22 -9.736 1.289 6.909 178 1HD ARG 22 HD1 ARG 22 -9.052 3.107 8.701 179 2HD ARG 22 HD2 ARG 22 -10.755 2.972 9.139 180 HE ARG 22 HE ARG 22 -9.730 0.392 8.961 181 1HH1 ARG 22 HH11 ARG 22 -9.280 3.255 10.895 182 2HH1 ARG 22 HH12 ARG 22 -8.803 2.380 12.311 183 1HH2 ARG 22 HH22 ARG 22 -9.102 -0.770 10.822 184 2HH2 ARG 22 HH21 ARG 22 -8.702 0.091 12.270 185 H LYS 23 HN LYS 23 -9.904 5.052 7.966 186 HA LYS 23 HA LYS 23 -10.006 7.849 7.177 187 1HB LYS 23 HB1 LYS 23 -12.164 7.392 8.347 188 2HB LYS 23 HB2 LYS 23 -11.250 6.928 9.775 189 1HG LYS 23 HG2 LYS 23 -11.046 9.039 10.414 190 2HG LYS 23 HG1 LYS 23 -10.416 9.516 8.836 191 1HD LYS 23 HD2 LYS 23 -12.781 9.547 8.003 192 2HD LYS 23 HD1 LYS 23 -13.303 9.311 9.673 193 1HE LYS 23 HE1 LYS 23 -11.593 11.399 9.949 194 2HE LYS 23 HE2 LYS 23 -12.244 11.707 8.339 195 1HZ LYS 23 HZ1 LYS 23 -14.501 11.313 9.469 196 2HZ LYS 23 HZ2 LYS 23 -13.719 12.790 9.723 197 3HZ LYS 23 HZ3 LYS 23 -13.669 11.592 10.916 198 H CYS 24 HN CYS 24 -8.586 9.183 8.311 199 HA CYS 24 HA CYS 24 -6.495 7.736 9.770 200 1HB CYS 24 HB2 CYS 24 -6.264 9.455 7.663 201 2HB CYS 24 HB1 CYS 24 -6.019 10.551 9.021 202 HG CYS 24 HG CYS 24 -4.161 8.163 8.332 203 H VAL 25 HN VAL 25 -6.317 7.988 11.891 204 HA VAL 25 HA VAL 25 -8.104 9.629 13.354 205 HB VAL 25 HB VAL 25 -5.607 8.530 14.584 206 1HG1 VAL 25 HG11 VAL 25 -8.307 9.330 15.438 207 2HG1 VAL 25 HG12 VAL 25 -6.776 9.384 16.312 208 3HG1 VAL 25 HG13 VAL 25 -7.673 7.869 16.197 209 1HG2 VAL 25 HG21 VAL 25 -6.830 6.917 12.899 210 2HG2 VAL 25 HG22 VAL 25 -7.966 6.745 14.238 211 3HG2 VAL 25 HG23 VAL 25 -6.264 6.337 14.468 212 H CYS 26 HN CYS 26 -5.053 10.203 11.936 213 HA CYS 26 HA CYS 26 -4.136 12.270 13.661 214 1HB CYS 26 HB2 CYS 26 -2.847 10.912 11.842 215 2HB CYS 26 HB1 CYS 26 -3.452 12.145 10.739 216 HG CYS 26 HG CYS 26 -1.070 12.461 12.453 217 H GLY 27 HN GLY 27 -6.515 12.091 11.188 218 1HA GLY 27 HA1 GLY 27 -8.151 13.968 11.311 219 2HA GLY 27 HA2 GLY 27 -6.761 15.038 11.213 220 H ARG 28 HN ARG 28 -8.065 12.249 9.404 221 HA ARG 28 HA ARG 28 -8.470 13.710 7.016 222 1HB ARG 28 HB2 ARG 28 -5.811 12.595 7.475 223 2HB ARG 28 HB1 ARG 28 -6.546 12.001 5.991 224 1HG ARG 28 HG1 ARG 28 -6.449 14.019 4.976 225 2HG ARG 28 HG2 ARG 28 -6.723 14.902 6.481 226 1HD ARG 28 HD2 ARG 28 -4.283 13.786 6.938 227 2HD ARG 28 HD1 ARG 28 -4.214 14.085 5.202 228 HE ARG 28 HE ARG 28 -4.973 16.446 5.917 229 1HH1 ARG 28 HH21 ARG 28 -2.827 14.368 7.711 230 2HH1 ARG 28 HH22 ARG 28 -1.974 15.678 8.458 231 1HH2 ARG 28 HH12 ARG 28 -3.856 18.175 6.894 232 2HH2 ARG 28 HH11 ARG 28 -2.559 17.843 7.993 233 H THR 29 HN THR 29 -8.086 11.711 5.126 234 HA THR 29 HA THR 29 -9.524 9.367 6.123 235 HB THR 29 HB THR 29 -10.436 11.018 3.757 236 HG1 THR 29 HG1 THR 29 -11.057 11.111 6.373 237 1HG2 THR 29 HG21 THR 29 -10.879 8.698 3.315 238 2HG2 THR 29 HG22 THR 29 -12.384 9.526 3.717 239 3HG2 THR 29 HG23 THR 29 -11.595 8.499 4.915 240 H VAL 30 HN VAL 30 -9.063 7.489 5.045 241 HA VAL 30 HA VAL 30 -6.977 7.690 2.979 242 HB VAL 30 HB VAL 30 -6.007 6.514 4.721 243 1HG1 VAL 30 HG11 VAL 30 -7.359 4.508 5.732 244 2HG1 VAL 30 HG12 VAL 30 -8.736 5.458 5.173 245 3HG1 VAL 30 HG13 VAL 30 -7.589 6.157 6.316 246 1HG2 VAL 30 HG21 VAL 30 -7.166 4.131 3.361 247 2HG2 VAL 30 HG22 VAL 30 -5.503 4.447 3.852 248 3HG2 VAL 30 HG23 VAL 30 -6.174 5.262 2.441 249 H ASN 31 HN ASN 31 -7.402 7.027 1.007 250 HA ASN 31 HA ASN 31 -9.866 5.514 0.501 251 1HB ASN 31 HB2 ASN 31 -9.268 7.785 -0.657 252 2HB ASN 31 HB1 ASN 31 -8.222 6.787 -1.662 253 1HD2 ASN 31 HD21 ASN 31 -11.186 8.136 -1.476 254 2HD2 ASN 31 HD22 ASN 31 -12.063 7.078 -2.522 255 H VAL 32 HN VAL 32 -9.740 3.426 -0.062 256 HA VAL 32 HA VAL 32 -7.242 2.099 -0.241 257 HB VAL 32 HB VAL 32 -8.402 0.090 -0.553 258 1HG1 VAL 32 HG11 VAL 32 -10.422 1.726 0.953 259 2HG1 VAL 32 HG12 VAL 32 -8.819 1.379 1.601 260 3HG1 VAL 32 HG13 VAL 32 -9.927 0.057 1.232 261 1HG2 VAL 32 HG21 VAL 32 -10.829 0.024 -1.176 262 2HG2 VAL 32 HG22 VAL 32 -9.740 0.540 -2.465 263 3HG2 VAL 32 HG23 VAL 32 -10.699 1.734 -1.590 264 H LYS 33 HN LYS 33 -7.395 0.324 -2.315 265 HA LYS 33 HA LYS 33 -6.248 1.733 -4.426 266 1HB LYS 33 HB2 LYS 33 -6.702 -0.959 -3.772 267 2HB LYS 33 HB1 LYS 33 -7.452 -0.729 -5.346 268 1HG LYS 33 HG2 LYS 33 -4.880 0.525 -5.318 269 2HG LYS 33 HG1 LYS 33 -4.740 -1.146 -4.770 270 1HD LYS 33 HD2 LYS 33 -4.951 -1.876 -6.858 271 2HD LYS 33 HD1 LYS 33 -6.508 -1.056 -7.007 272 1HE LYS 33 HE1 LYS 33 -5.600 0.363 -8.449 273 2HE LYS 33 HE2 LYS 33 -4.514 0.930 -7.180 274 1HZ LYS 33 HZ1 LYS 33 -4.007 -0.953 -9.354 275 2HZ LYS 33 HZ2 LYS 33 -3.227 -1.246 -7.881 276 3HZ LYS 33 HZ3 LYS 33 -2.994 0.225 -8.684 277 H ASP 34 HN ASP 34 -7.168 1.278 -6.797 278 HA ASP 34 HA ASP 34 -9.684 2.734 -6.895 279 1HB ASP 34 HB2 ASP 34 -7.364 2.482 -8.593 280 2HB ASP 34 HB1 ASP 34 -8.827 2.144 -9.514 281 H ARG 35 HN ARG 35 -8.322 -0.342 -7.982 282 HA ARG 35 HA ARG 35 -10.902 -1.253 -8.950 283 1HB ARG 35 HB1 ARG 35 -8.613 -1.818 -9.990 284 2HB ARG 35 HB2 ARG 35 -8.431 -2.949 -8.657 285 1HG ARG 35 HG1 ARG 35 -10.616 -3.975 -9.381 286 2HG ARG 35 HG2 ARG 35 -10.499 -2.981 -10.835 287 1HD ARG 35 HD2 ARG 35 -8.080 -4.044 -10.932 288 2HD ARG 35 HD1 ARG 35 -8.857 -5.309 -9.980 289 HE ARG 35 HE ARG 35 -10.012 -4.459 -12.545 290 1HH1 ARG 35 HH11 ARG 35 -8.619 -6.917 -10.502 291 2HH1 ARG 35 HH12 ARG 35 -9.021 -8.217 -11.574 292 1HH2 ARG 35 HH21 ARG 35 -10.544 -6.166 -13.961 293 2HH2 ARG 35 HH22 ARG 35 -10.115 -7.790 -13.538 294 H ARG 36 HN ARG 36 -9.131 -3.744 -7.468 295 HA ARG 36 HA ARG 36 -11.205 -4.169 -5.527 296 1HB ARG 36 HB2 ARG 36 -8.598 -5.660 -5.868 297 2HB ARG 36 HB1 ARG 36 -10.010 -6.211 -4.977 298 1HG ARG 36 HG2 ARG 36 -10.432 -5.539 -7.820 299 2HG ARG 36 HG1 ARG 36 -9.462 -6.973 -7.477 300 1HD ARG 36 HD2 ARG 36 -11.341 -8.106 -7.145 301 2HD ARG 36 HD1 ARG 36 -11.659 -7.090 -5.739 302 HE ARG 36 HE ARG 36 -12.690 -6.610 -8.455 303 1HH1 ARG 36 HH12 ARG 36 -12.828 -6.127 -5.006 304 2HH1 ARG 36 HH11 ARG 36 -14.342 -5.287 -5.055 305 1HH2 ARG 36 HH22 ARG 36 -14.683 -5.503 -8.528 306 2HH2 ARG 36 HH21 ARG 36 -15.396 -4.932 -7.055 307 H ILE 37 HN ILE 37 -7.883 -4.753 -4.636 308 HA ILE 37 HA ILE 37 -7.735 -2.486 -2.838 309 HB ILE 37 HB ILE 37 -8.638 -5.096 -1.920 310 1HG1 ILE 37 HG12 ILE 37 -9.570 -2.729 -1.515 311 2HG1 ILE 37 HG11 ILE 37 -9.561 -3.853 -0.160 312 1HG2 ILE 37 HG21 ILE 37 -7.264 -5.404 -0.014 313 2HG2 ILE 37 HG22 ILE 37 -6.390 -3.901 -0.313 314 3HG2 ILE 37 HG23 ILE 37 -6.187 -5.275 -1.403 315 1HD1 ILE 37 HD11 ILE 37 -8.859 -1.744 0.651 316 2HD1 ILE 37 HD12 ILE 37 -7.685 -1.561 -0.655 317 3HD1 ILE 37 HD13 ILE 37 -7.432 -2.780 0.595 318 H PHE 38 HN PHE 38 -5.649 -2.234 -1.893 319 HA PHE 38 HA PHE 38 -3.545 -3.565 -3.420 320 1HB PHE 38 HB1 PHE 38 -3.826 -0.960 -2.837 321 2HB PHE 38 HB2 PHE 38 -2.899 -1.455 -1.424 322 HD1 PHE 38 HD1 PHE 38 -2.732 -0.425 -4.798 323 HD2 PHE 38 HD2 PHE 38 -0.727 -2.784 -1.878 324 HE1 PHE 38 HE1 PHE 38 -0.659 -0.284 -6.114 325 HE2 PHE 38 HE2 PHE 38 1.350 -2.645 -3.188 326 HZ PHE 38 HZ PHE 38 1.387 -1.394 -5.309 327 H GLY 39 HN GLY 39 -1.779 -4.593 -2.416 328 1HA GLY 39 HA1 GLY 39 -0.895 -6.118 -0.942 329 2HA GLY 39 HA2 GLY 39 -1.212 -4.864 0.246 330 H ARG 40 HN ARG 40 -2.362 -7.836 -1.174 331 HA ARG 40 HA ARG 40 -4.595 -7.977 0.705 332 1HB ARG 40 HB1 ARG 40 -4.700 -8.727 -1.763 333 2HB ARG 40 HB2 ARG 40 -3.784 -10.127 -1.228 334 1HG ARG 40 HG2 ARG 40 -6.061 -10.757 -1.251 335 2HG ARG 40 HG1 ARG 40 -5.594 -10.568 0.441 336 1HD ARG 40 HD1 ARG 40 -6.716 -8.509 0.628 337 2HD ARG 40 HD2 ARG 40 -6.888 -8.351 -1.119 338 HE ARG 40 HE ARG 40 -8.489 -10.037 0.647 339 1HH1 ARG 40 HH22 ARG 40 -7.760 -8.929 -2.576 340 2HH1 ARG 40 HH21 ARG 40 -9.253 -9.494 -3.247 341 1HH2 ARG 40 HH12 ARG 40 -10.458 -10.784 -0.229 342 2HH2 ARG 40 HH11 ARG 40 -10.786 -10.548 -1.913 343 H ALA 41 HN ALA 41 -3.503 -8.167 2.646 344 HA ALA 41 HA ALA 41 -1.601 -10.352 2.975 345 1HB ALA 41 HB1 ALA 41 -2.383 -8.037 4.727 346 2HB ALA 41 HB2 ALA 41 -0.845 -8.325 3.912 347 3HB ALA 41 HB3 ALA 41 -1.323 -9.341 5.272 348 H ASP 42 HN ASP 42 -2.371 -12.285 3.476 349 HA ASP 42 HA ASP 42 -4.910 -12.590 4.832 350 1HB ASP 42 HB1 ASP 42 -4.239 -14.120 2.993 351 2HB ASP 42 HB2 ASP 42 -2.908 -14.700 3.989 352 H ASP 43 HN ASP 43 -1.501 -12.821 5.519 353 HA ASP 43 HA ASP 43 -1.934 -13.932 8.171 354 1HB ASP 43 HB2 ASP 43 0.075 -14.382 6.541 355 2HB ASP 43 HB1 ASP 43 0.709 -12.884 7.218 356 H PHE 44 HN PHE 44 -2.071 -12.777 9.997 357 HA PHE 44 HA PHE 44 -2.465 -10.018 10.003 358 1HB PHE 44 HB1 PHE 44 -3.236 -11.569 11.783 359 2HB PHE 44 HB2 PHE 44 -1.571 -11.728 12.331 360 HD1 PHE 44 HD1 PHE 44 -0.594 -10.123 13.743 361 HD2 PHE 44 HD2 PHE 44 -4.368 -9.349 11.938 362 HE1 PHE 44 HE1 PHE 44 -0.881 -8.160 15.198 363 HE2 PHE 44 HE2 PHE 44 -4.664 -7.384 13.388 364 HZ PHE 44 HZ PHE 44 -2.919 -6.787 15.021 365 H GLU 45 HN GLU 45 0.445 -11.912 10.656 366 HA GLU 45 HA GLU 45 2.060 -9.737 11.486 367 1HB GLU 45 HB1 GLU 45 2.840 -11.865 12.104 368 2HB GLU 45 HB2 GLU 45 2.626 -12.515 10.484 369 1HG GLU 45 HG1 GLU 45 4.679 -11.947 9.879 370 2HG GLU 45 HG2 GLU 45 4.509 -10.319 10.533 371 H GLU 46 HN GLU 46 1.507 -11.317 8.372 372 HA GLU 46 HA GLU 46 3.391 -9.764 6.919 373 1HB GLU 46 HB2 GLU 46 2.373 -12.002 6.241 374 2HB GLU 46 HB1 GLU 46 0.941 -11.097 5.772 375 1HG GLU 46 HG2 GLU 46 2.471 -9.722 4.292 376 2HG GLU 46 HG1 GLU 46 3.698 -10.951 4.599 377 H ALA 47 HN ALA 47 0.242 -9.159 8.101 378 HA ALA 47 HA ALA 47 -0.733 -7.311 6.231 379 1HB ALA 47 HB1 ALA 47 -1.557 -6.501 8.820 380 2HB ALA 47 HB2 ALA 47 -1.481 -8.264 8.806 381 3HB ALA 47 HB3 ALA 47 -2.465 -7.413 7.613 382 H SER 48 HN SER 48 0.770 -6.569 9.387 383 HA SER 48 HA SER 48 1.107 -3.837 8.916 384 1HB SER 48 HB2 SER 48 2.913 -5.518 10.662 385 2HB SER 48 HB1 SER 48 2.513 -3.810 10.850 386 HG SER 48 HG SER 48 1.360 -5.519 12.176 387 H GLU 49 HN GLU 49 3.100 -6.578 8.045 388 HA GLU 49 HA GLU 49 5.428 -5.093 7.365 389 1HB GLU 49 HB2 GLU 49 4.663 -7.818 7.445 390 2HB GLU 49 HB1 GLU 49 5.211 -7.495 5.807 391 1HG GLU 49 HG1 GLU 49 6.744 -7.089 8.361 392 2HG GLU 49 HG2 GLU 49 7.068 -8.262 7.085 393 H LEU 50 HN LEU 50 2.554 -6.089 5.617 394 HA LEU 50 HA LEU 50 3.464 -5.365 3.025 395 1HB LEU 50 HB1 LEU 50 1.091 -6.433 4.216 396 2HB LEU 50 HB2 LEU 50 0.643 -5.095 3.177 397 HG LEU 50 HG LEU 50 1.848 -6.179 1.303 398 1HD1 LEU 50 HD21 LEU 50 1.982 -8.816 2.454 399 2HD1 LEU 50 HD22 LEU 50 3.016 -7.691 3.333 400 3HD1 LEU 50 HD23 LEU 50 3.220 -7.901 1.594 401 1HD2 LEU 50 HD11 LEU 50 0.127 -7.634 0.769 402 2HD2 LEU 50 HD12 LEU 50 -0.620 -6.571 1.963 403 3HD2 LEU 50 HD13 LEU 50 -0.067 -8.178 2.436 404 H VAL 51 HN VAL 51 1.604 -3.709 5.524 405 HA VAL 51 HA VAL 51 1.050 -1.353 4.101 406 HB VAL 51 HB VAL 51 1.477 -1.573 7.078 407 1HG1 VAL 51 HG21 VAL 51 -0.608 0.152 6.614 408 2HG1 VAL 51 HG22 VAL 51 0.504 0.513 5.294 409 3HG1 VAL 51 HG23 VAL 51 1.058 0.617 6.965 410 1HG2 VAL 51 HG11 VAL 51 -0.094 -3.300 6.066 411 2HG2 VAL 51 HG12 VAL 51 -1.149 -1.945 5.666 412 3HG2 VAL 51 HG13 VAL 51 -0.749 -2.284 7.350 413 H ARG 52 HN ARG 52 3.803 -2.327 6.089 414 HA ARG 52 HA ARG 52 5.102 0.170 6.189 415 1HB ARG 52 HB1 ARG 52 5.748 -2.608 6.812 416 2HB ARG 52 HB2 ARG 52 7.134 -1.723 6.187 417 1HG ARG 52 HG2 ARG 52 6.086 0.039 7.999 418 2HG ARG 52 HG1 ARG 52 5.786 -1.523 8.763 419 1HD ARG 52 HD2 ARG 52 8.117 -2.107 8.595 420 2HD ARG 52 HD1 ARG 52 8.456 -0.639 7.678 421 HE ARG 52 HE ARG 52 8.226 -0.881 10.517 422 1HH1 ARG 52 HH11 ARG 52 7.799 1.292 7.827 423 2HH1 ARG 52 HH12 ARG 52 8.015 2.721 8.781 424 1HH2 ARG 52 HH22 ARG 52 8.511 0.997 11.781 425 2HH2 ARG 52 HH21 ARG 52 8.419 2.554 11.028 426 H LYS 53 HN LYS 53 5.121 -2.439 3.834 427 HA LYS 53 HA LYS 53 7.199 -1.372 2.201 428 1HB LYS 53 HB2 LYS 53 6.086 -3.771 2.263 429 2HB LYS 53 HB1 LYS 53 5.011 -3.065 1.064 430 1HG LYS 53 HG2 LYS 53 7.012 -2.463 -0.285 431 2HG LYS 53 HG1 LYS 53 8.000 -3.349 0.878 432 1HD LYS 53 HD1 LYS 53 6.579 -5.363 0.412 433 2HD LYS 53 HD2 LYS 53 5.827 -4.448 -0.896 434 1HE LYS 53 HE2 LYS 53 7.461 -5.174 -2.218 435 2HE LYS 53 HE1 LYS 53 8.557 -4.137 -1.307 436 1HZ LYS 53 HZ1 LYS 53 8.136 -6.541 0.105 437 2HZ LYS 53 HZ2 LYS 53 9.579 -5.917 -0.518 438 3HZ LYS 53 HZ3 LYS 53 8.600 -6.905 -1.480 439 H LEU 54 HN LEU 54 3.706 -1.037 2.349 440 HA LEU 54 HA LEU 54 3.386 0.419 -0.071 441 1HB LEU 54 HB1 LEU 54 1.749 -0.312 2.250 442 2HB LEU 54 HB2 LEU 54 1.325 1.239 1.554 443 HG LEU 54 HG LEU 54 -0.007 -0.689 0.690 444 1HD1 LEU 54 HD11 LEU 54 0.567 -0.092 -1.802 445 2HD1 LEU 54 HD12 LEU 54 1.568 1.144 -1.042 446 3HD1 LEU 54 HD13 LEU 54 -0.166 1.097 -0.724 447 1HD2 LEU 54 HD21 LEU 54 2.693 -1.533 -0.306 448 2HD2 LEU 54 HD22 LEU 54 1.207 -2.038 -1.111 449 3HD2 LEU 54 HD23 LEU 54 1.491 -2.476 0.573 450 H GLN 55 HN GLN 55 4.618 1.222 3.004 451 HA GLN 55 HA GLN 55 3.968 3.972 3.103 452 1HB GLN 55 HB1 GLN 55 5.632 2.107 4.595 453 2HB GLN 55 HB2 GLN 55 6.366 3.705 4.470 454 1HG GLN 55 HG2 GLN 55 3.622 3.069 5.543 455 2HG GLN 55 HG1 GLN 55 5.040 3.518 6.490 456 1HE2 GLN 55 HE22 GLN 55 6.070 5.581 5.060 457 2HE2 GLN 55 HE21 GLN 55 4.959 6.904 5.036 458 H GLU 56 HN GLU 56 6.564 5.018 3.661 459 HA GLU 56 HA GLU 56 7.312 5.905 1.063 460 1HB GLU 56 HB2 GLU 56 9.182 7.014 2.446 461 2HB GLU 56 HB1 GLU 56 7.528 7.530 2.721 462 1HG GLU 56 HG1 GLU 56 7.434 6.007 4.671 463 2HG GLU 56 HG2 GLU 56 9.138 5.636 4.417 464 H GLU 57 HN GLU 57 10.160 6.053 1.965 465 HA GLU 57 HA GLU 57 11.093 3.784 0.518 466 1HB GLU 57 HB2 GLU 57 13.359 4.677 1.082 467 2HB GLU 57 HB1 GLU 57 12.298 5.852 0.316 468 1HG GLU 57 HG2 GLU 57 12.533 7.245 2.015 469 2HG GLU 57 HG1 GLU 57 12.002 6.009 3.154 470 H LYS 58 HN LYS 58 12.021 1.930 1.216 471 HA LYS 58 HA LYS 58 11.570 1.164 3.939 472 1HB LYS 58 HB1 LYS 58 11.428 -0.247 1.713 473 2HB LYS 58 HB2 LYS 58 13.133 -0.529 2.037 474 1HG LYS 58 HG1 LYS 58 12.462 -2.236 3.289 475 2HG LYS 58 HG2 LYS 58 11.951 -1.027 4.469 476 1HD LYS 58 HD1 LYS 58 9.928 -1.975 4.260 477 2HD LYS 58 HD2 LYS 58 9.830 -1.058 2.756 478 1HE LYS 58 HE1 LYS 58 9.244 -3.453 2.495 479 2HE LYS 58 HE2 LYS 58 10.599 -2.944 1.488 480 1HZ LYS 58 HZ1 LYS 58 11.955 -4.367 2.501 481 2HZ LYS 58 HZ2 LYS 58 10.576 -5.083 3.168 482 3HZ LYS 58 HZ3 LYS 58 11.433 -3.920 4.046 483 H TYR 59 HN TYR 59 13.279 0.054 5.222 484 HA TYR 59 HA TYR 59 15.667 1.714 5.255 485 1HB TYR 59 HB2 TYR 59 14.112 0.266 7.214 486 2HB TYR 59 HB1 TYR 59 15.815 -0.163 7.339 487 HD1 TYR 59 HD1 TYR 59 13.531 2.774 7.219 488 HD2 TYR 59 HD2 TYR 59 17.299 1.240 8.465 489 HE1 TYR 59 HE1 TYR 59 13.957 4.851 8.464 490 HE2 TYR 59 HE2 TYR 59 17.737 3.314 9.712 491 HH TYR 59 HH TYR 59 16.734 5.916 9.370 492 H GLY 60 HN GLY 60 17.775 0.596 5.817 493 1HA GLY 60 HA2 GLY 60 18.012 -1.930 4.303 494 2HA GLY 60 HA1 GLY 60 19.156 -0.613 4.092 495 H SER 61 HN SER 61 17.796 -1.570 7.183 496 HA SER 61 HA SER 61 20.480 -2.050 8.186 497 1HB SER 61 HB2 SER 61 18.884 -0.655 9.482 498 2HB SER 61 HB1 SER 61 17.840 -2.064 9.671 499 HG SER 61 HG SER 61 19.035 -2.141 11.459 500 H CYS 62 HN CYS 62 17.400 -3.757 8.739 501 HA CYS 62 HA CYS 62 16.901 -5.961 8.982 502 1HB CYS 62 HB2 CYS 62 18.268 -5.690 6.565 503 2HB CYS 62 HB1 CYS 62 19.035 -7.069 7.348 504 HG CYS 62 HG CYS 62 16.886 -7.692 5.837 505 H HIS 63 HN HIS 63 18.534 -4.923 10.970 506 HA HIS 63 HA HIS 63 20.508 -7.025 11.503 507 1HB HIS 63 HB1 HIS 63 20.183 -4.204 12.350 508 2HB HIS 63 HB2 HIS 63 20.831 -5.304 13.562 509 HD2 HIS 63 HD2 HIS 63 23.342 -4.124 13.396 510 HE1 HIS 63 HE1 HIS 63 24.078 -5.429 9.437 511 HE2 HIS 63 HE2 HIS 63 25.103 -4.385 11.509 512 H PHE 64 HN PHE 64 18.127 -8.116 11.693 513 HA PHE 64 HA PHE 64 16.739 -7.821 14.124 514 1HB PHE 64 HB1 PHE 64 16.806 -9.798 11.920 515 2HB PHE 64 HB2 PHE 64 16.218 -10.399 13.467 516 HD1 PHE 64 HD1 PHE 64 15.742 -7.536 11.128 517 HD2 PHE 64 HD2 PHE 64 13.991 -10.164 13.981 518 HE1 PHE 64 HE1 PHE 64 13.532 -6.557 10.667 519 HE2 PHE 64 HE2 PHE 64 11.778 -9.190 13.526 520 HZ PHE 64 HZ PHE 64 11.546 -7.384 11.868 521 H THR 65 HN THR 65 17.499 -8.174 16.092 522 HA THR 65 HA THR 65 19.670 -10.093 16.483 523 HB THR 65 HB THR 65 18.893 -8.761 18.903 524 HG1 THR 65 HG1 THR 65 19.585 -6.616 17.904 525 1HG2 THR 65 HG21 THR 65 21.090 -9.090 19.026 526 2HG2 THR 65 HG22 THR 65 21.208 -7.564 18.150 527 3HG2 THR 65 HG23 THR 65 21.290 -9.091 17.273 528 H ASN 66 HN ASN 66 18.607 -12.060 16.406 529 HA ASN 66 HA ASN 66 16.240 -12.616 17.883 530 1HB ASN 66 HB2 ASN 66 18.131 -14.122 16.197 531 2HB ASN 66 HB1 ASN 66 17.354 -15.074 17.458 532 1HD2 ASN 66 HD21 ASN 66 16.901 -15.654 14.849 533 2HD2 ASN 66 HD22 ASN 66 15.278 -15.240 14.423 534 HA PRO 67 HA PRO 67 17.716 -13.310 21.976 535 1HB PRO 67 HB2 PRO 67 16.035 -15.758 22.005 536 2HB PRO 67 HB1 PRO 67 16.018 -14.367 23.094 537 1HG PRO 67 HG2 PRO 67 14.091 -14.702 21.283 538 2HG PRO 67 HG1 PRO 67 14.728 -13.088 21.649 539 1HD PRO 67 HD1 PRO 67 15.288 -14.863 19.305 540 2HD PRO 67 HD2 PRO 67 15.067 -13.101 19.360 541 H SER 68 HN SER 68 17.396 -16.301 20.059 542 HA SER 68 HA SER 68 19.542 -17.573 21.513 543 1HB SER 68 HB2 SER 68 19.139 -19.468 19.958 544 2HB SER 68 HB1 SER 68 17.663 -18.932 20.761 545 HG SER 68 HG SER 68 17.598 -19.303 18.390 546 H LYS 69 HN LYS 69 19.560 -15.247 19.247 547 HA LYS 69 HA LYS 69 21.706 -16.305 17.599 548 1HB LYS 69 HB2 LYS 69 19.743 -14.717 16.882 549 2HB LYS 69 HB1 LYS 69 20.798 -13.454 17.503 550 1HG LYS 69 HG2 LYS 69 22.586 -14.514 15.975 551 2HG LYS 69 HG1 LYS 69 21.212 -15.280 15.174 552 1HD LYS 69 HD2 LYS 69 21.153 -12.341 15.688 553 2HD LYS 69 HD1 LYS 69 22.113 -12.964 14.344 554 1HE LYS 69 HE1 LYS 69 19.375 -14.028 14.564 555 2HE LYS 69 HE2 LYS 69 19.499 -12.316 14.162 556 1HZ LYS 69 HZ1 LYS 69 19.698 -14.385 12.409 557 2HZ LYS 69 HZ2 LYS 69 21.311 -13.938 12.650 558 3HZ LYS 69 HZ3 LYS 69 20.187 -12.792 12.116 559 H ARG 70 HN ARG 70 21.664 -12.976 18.688 560 HA ARG 70 HA ARG 70 24.427 -13.194 19.497 561 1HB ARG 70 HB1 ARG 70 22.715 -11.122 18.565 562 2HB ARG 70 HB2 ARG 70 23.326 -10.637 20.141 563 1HG ARG 70 HG2 ARG 70 25.109 -9.892 19.038 564 2HG ARG 70 HG1 ARG 70 25.575 -11.587 18.891 565 1HD ARG 70 HD2 ARG 70 24.378 -11.714 16.750 566 2HD ARG 70 HD1 ARG 70 23.959 -10.008 16.894 567 HE ARG 70 HE ARG 70 26.547 -9.770 16.986 568 1HH1 ARG 70 HH11 ARG 70 24.712 -11.992 15.027 569 2HH1 ARG 70 HH12 ARG 70 25.891 -12.053 13.760 570 1HH2 ARG 70 HH21 ARG 70 28.107 -9.844 15.321 571 2HH2 ARG 70 HH22 ARG 70 27.822 -10.832 13.928 572 H GLU 71 HN GLU 71 22.062 -11.220 21.208 573 HA GLU 71 HA GLU 71 23.057 -12.282 23.732 574 1HB GLU 71 HB1 GLU 71 21.470 -9.865 22.937 575 2HB GLU 71 HB2 GLU 71 21.452 -10.409 24.609 576 1HG GLU 71 HG1 GLU 71 24.075 -10.052 23.256 577 2HG GLU 71 HG2 GLU 71 23.178 -8.622 23.763 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -10.182 -12.531 6.169 2 2H MET 1 HT2 MET 1 -9.823 -13.376 4.719 3 3H MET 1 HT3 MET 1 -10.325 -11.736 4.656 4 HA MET 1 HA MET 1 -7.933 -12.517 6.138 5 1HB MET 1 HB2 MET 1 -6.670 -12.013 4.029 6 2HB MET 1 HB1 MET 1 -7.605 -13.501 3.975 7 1HG MET 1 HG2 MET 1 -8.883 -11.023 2.966 8 2HG MET 1 HG1 MET 1 -7.612 -11.760 1.991 9 1HE MET 1 HE1 MET 1 -8.042 -12.920 0.275 10 2HE MET 1 HE2 MET 1 -9.689 -12.477 -0.175 11 3HE MET 1 HE3 MET 1 -9.246 -14.177 -0.015 12 H TYR 2 HN TYR 2 -6.301 -10.579 5.306 13 HA TYR 2 HA TYR 2 -7.753 -8.131 6.040 14 1HB TYR 2 HB2 TYR 2 -4.949 -9.078 6.511 15 2HB TYR 2 HB1 TYR 2 -5.280 -7.350 6.478 16 HD1 TYR 2 HD1 TYR 2 -4.361 -9.330 8.781 17 HD2 TYR 2 HD2 TYR 2 -8.034 -7.438 7.762 18 HE1 TYR 2 HE1 TYR 2 -5.055 -9.421 11.136 19 HE2 TYR 2 HE2 TYR 2 -8.738 -7.524 10.117 20 HH TYR 2 HH TYR 2 -6.660 -8.111 12.636 21 H ILE 3 HN ILE 3 -7.101 -6.126 5.074 22 HA ILE 3 HA ILE 3 -5.956 -6.395 2.373 23 HB ILE 3 HB ILE 3 -7.541 -4.559 1.688 24 1HG1 ILE 3 HG11 ILE 3 -9.338 -5.331 3.932 25 2HG1 ILE 3 HG12 ILE 3 -8.032 -4.206 4.295 26 1HG2 ILE 3 HG21 ILE 3 -9.217 -6.866 2.519 27 2HG2 ILE 3 HG22 ILE 3 -7.835 -7.170 1.463 28 3HG2 ILE 3 HG23 ILE 3 -9.102 -6.050 0.958 29 1HD1 ILE 3 HD11 ILE 3 -10.208 -3.146 3.715 30 2HD1 ILE 3 HD12 ILE 3 -10.023 -3.790 2.084 31 3HD1 ILE 3 HD13 ILE 3 -8.849 -2.633 2.713 32 H ILE 4 HN ILE 4 -4.973 -4.437 1.535 33 HA ILE 4 HA ILE 4 -4.198 -2.535 3.651 34 HB ILE 4 HB ILE 4 -2.527 -3.922 1.600 35 1HG1 ILE 4 HG12 ILE 4 -0.952 -3.490 3.748 36 2HG1 ILE 4 HG11 ILE 4 -2.530 -3.425 4.524 37 1HG2 ILE 4 HG21 ILE 4 -1.736 -1.930 0.893 38 2HG2 ILE 4 HG22 ILE 4 -0.792 -2.029 2.381 39 3HG2 ILE 4 HG23 ILE 4 -2.275 -1.078 2.340 40 1HD1 ILE 4 HD11 ILE 4 -3.015 -5.645 3.433 41 2HD1 ILE 4 HD12 ILE 4 -1.796 -5.645 4.707 42 3HD1 ILE 4 HD13 ILE 4 -1.303 -5.704 3.015 43 H PHE 5 HN PHE 5 -3.895 -0.352 3.007 44 HA PHE 5 HA PHE 5 -4.765 0.382 0.315 45 1HB PHE 5 HB1 PHE 5 -6.150 2.228 1.766 46 2HB PHE 5 HB2 PHE 5 -6.849 0.767 1.084 47 HD1 PHE 5 HD1 PHE 5 -7.301 -1.180 2.497 48 HD2 PHE 5 HD2 PHE 5 -5.873 2.487 4.113 49 HE1 PHE 5 HE1 PHE 5 -7.992 -1.904 4.746 50 HE2 PHE 5 HE2 PHE 5 -6.561 1.771 6.359 51 HZ PHE 5 HZ PHE 5 -7.618 -0.423 6.679 52 H ARG 6 HN ARG 6 -5.038 3.149 0.781 53 HA ARG 6 HA ARG 6 -2.517 3.976 2.008 54 1HB ARG 6 HB2 ARG 6 -3.237 4.343 -0.894 55 2HB ARG 6 HB1 ARG 6 -2.073 5.385 -0.088 56 1HG ARG 6 HG2 ARG 6 -1.191 2.866 0.563 57 2HG ARG 6 HG1 ARG 6 -1.772 2.675 -1.093 58 1HD ARG 6 HD2 ARG 6 0.072 4.898 -0.252 59 2HD ARG 6 HD1 ARG 6 0.655 3.337 -0.831 60 HE ARG 6 HE ARG 6 -0.243 3.831 -2.968 61 1HH1 ARG 6 HH11 ARG 6 -0.520 6.460 -0.698 62 2HH1 ARG 6 HH12 ARG 6 -0.777 7.659 -1.921 63 1HH2 ARG 6 HH21 ARG 6 -0.580 5.402 -4.585 64 2HH2 ARG 6 HH22 ARG 6 -0.810 7.058 -4.130 65 H CYS 7 HN CYS 7 -2.810 5.740 3.200 66 HA CYS 7 HA CYS 7 -5.245 7.257 2.994 67 1HB CYS 7 HB2 CYS 7 -4.078 6.685 5.175 68 2HB CYS 7 HB1 CYS 7 -2.875 7.895 4.743 69 HG CYS 7 HG CYS 7 -4.406 9.360 6.004 70 H ASP 8 HN ASP 8 -5.241 9.621 2.815 71 HA ASP 8 HA ASP 8 -4.024 10.482 0.485 72 1HB ASP 8 HB1 ASP 8 -5.680 11.672 2.579 73 2HB ASP 8 HB2 ASP 8 -4.589 12.834 1.831 74 H CYS 9 HN CYS 9 -2.735 10.389 3.659 75 HA CYS 9 HA CYS 9 -0.742 12.420 3.308 76 1HB CYS 9 HB2 CYS 9 -0.729 10.079 5.224 77 2HB CYS 9 HB1 CYS 9 0.234 11.547 5.352 78 HG CYS 9 HG CYS 9 -2.801 11.366 5.949 79 H GLY 10 HN GLY 10 -1.226 9.720 1.652 80 1HA GLY 10 HA2 GLY 10 0.136 8.628 0.132 81 2HA GLY 10 HA1 GLY 10 1.511 9.513 0.777 82 H ARG 11 HN ARG 11 -0.278 8.106 3.233 83 HA ARG 11 HA ARG 11 1.831 6.144 3.681 84 1HB ARG 11 HB2 ARG 11 1.012 5.932 5.900 85 2HB ARG 11 HB1 ARG 11 1.004 7.646 5.514 86 1HG ARG 11 HG2 ARG 11 -1.264 7.789 5.549 87 2HG ARG 11 HG1 ARG 11 -1.489 6.111 5.050 88 1HD ARG 11 HD2 ARG 11 -1.705 5.455 7.160 89 2HD ARG 11 HD1 ARG 11 -0.169 6.205 7.593 90 HE ARG 11 HE ARG 11 -2.759 7.615 7.607 91 1HH1 ARG 11 HH11 ARG 11 0.450 7.083 8.862 92 2HH1 ARG 11 HH12 ARG 11 0.293 8.265 10.117 93 1HH2 ARG 11 HH21 ARG 11 -2.972 9.172 9.257 94 2HH2 ARG 11 HH22 ARG 11 -1.651 9.453 10.343 95 H ALA 12 HN ALA 12 0.328 4.285 5.188 96 HA ALA 12 HA ALA 12 -1.705 3.165 3.459 97 1HB ALA 12 HB1 ALA 12 -0.378 0.953 3.379 98 2HB ALA 12 HB2 ALA 12 1.032 1.969 3.684 99 3HB ALA 12 HB3 ALA 12 0.046 2.236 2.246 100 H LEU 13 HN LEU 13 -2.850 1.393 4.442 101 HA LEU 13 HA LEU 13 -2.116 0.734 7.192 102 1HB LEU 13 HB1 LEU 13 -4.591 2.194 6.374 103 2HB LEU 13 HB2 LEU 13 -4.654 1.091 7.733 104 HG LEU 13 HG LEU 13 -2.437 3.022 7.834 105 1HD1 LEU 13 HD21 LEU 13 -5.295 3.951 8.053 106 2HD1 LEU 13 HD22 LEU 13 -4.118 4.458 6.842 107 3HD1 LEU 13 HD23 LEU 13 -3.877 4.881 8.537 108 1HD2 LEU 13 HD11 LEU 13 -4.560 2.506 9.886 109 2HD2 LEU 13 HD12 LEU 13 -2.886 3.010 10.122 110 3HD2 LEU 13 HD13 LEU 13 -3.249 1.361 9.610 111 H TYR 14 HN TYR 14 -4.151 -0.739 8.045 112 HA TYR 14 HA TYR 14 -4.835 -2.650 5.924 113 1HB TYR 14 HB2 TYR 14 -4.082 -4.537 7.224 114 2HB TYR 14 HB1 TYR 14 -2.744 -3.408 7.046 115 HD1 TYR 14 HD1 TYR 14 -2.185 -1.884 8.993 116 HD2 TYR 14 HD2 TYR 14 -4.823 -5.203 9.355 117 HE1 TYR 14 HE1 TYR 14 -1.879 -1.854 11.433 118 HE2 TYR 14 HE2 TYR 14 -4.523 -5.183 11.795 119 HH TYR 14 HH TYR 14 -3.834 -3.758 13.555 120 H SER 15 HN SER 15 -6.736 -3.773 6.231 121 HA SER 15 HA SER 15 -8.159 -3.665 8.741 122 1HB SER 15 HB1 SER 15 -8.702 -1.478 7.588 123 2HB SER 15 HB2 SER 15 -9.473 -2.423 6.316 124 HG SER 15 HG SER 15 -10.202 -2.878 8.982 125 H ARG 16 HN ARG 16 -10.640 -4.459 7.997 126 HA ARG 16 HA ARG 16 -10.166 -7.145 7.104 127 1HB ARG 16 HB2 ARG 16 -12.311 -5.681 8.401 128 2HB ARG 16 HB1 ARG 16 -12.926 -6.737 7.136 129 1HG ARG 16 HG2 ARG 16 -11.384 -8.512 8.274 130 2HG ARG 16 HG1 ARG 16 -11.507 -7.430 9.663 131 1HD ARG 16 HD2 ARG 16 -13.919 -7.592 9.624 132 2HD ARG 16 HD1 ARG 16 -13.857 -8.574 8.161 133 HE ARG 16 HE ARG 16 -12.360 -9.770 10.257 134 1HH1 ARG 16 HH12 ARG 16 -15.619 -9.240 9.137 135 2HH1 ARG 16 HH11 ARG 16 -16.251 -10.655 9.913 136 1HH2 ARG 16 HH21 ARG 16 -13.185 -11.633 11.279 137 2HH2 ARG 16 HH22 ARG 16 -14.868 -12.014 11.130 138 H GLU 17 HN GLU 17 -10.897 -8.138 5.237 139 HA GLU 17 HA GLU 17 -10.754 -6.713 2.857 140 1HB GLU 17 HB1 GLU 17 -10.540 -9.242 3.265 141 2HB GLU 17 HB2 GLU 17 -12.292 -9.287 3.127 142 1HG GLU 17 HG2 GLU 17 -11.743 -7.950 0.891 143 2HG GLU 17 HG1 GLU 17 -10.232 -8.846 1.055 144 H GLY 18 HN GLY 18 -12.083 -5.110 2.279 145 1HA GLY 18 HA2 GLY 18 -14.447 -5.138 1.193 146 2HA GLY 18 HA1 GLY 18 -14.951 -5.365 2.859 147 H ALA 19 HN ALA 19 -12.310 -3.512 3.152 148 HA ALA 19 HA ALA 19 -13.839 -1.144 3.660 149 1HB ALA 19 HB1 ALA 19 -10.839 -1.320 3.626 150 2HB ALA 19 HB2 ALA 19 -11.813 -1.928 4.965 151 3HB ALA 19 HB3 ALA 19 -11.864 -0.216 4.544 152 H LYS 20 HN LYS 20 -14.496 0.179 2.112 153 HA LYS 20 HA LYS 20 -13.010 0.371 -0.384 154 1HB LYS 20 HB1 LYS 20 -14.969 0.835 -1.368 155 2HB LYS 20 HB2 LYS 20 -15.682 0.291 0.142 156 1HG LYS 20 HG1 LYS 20 -14.908 3.136 -0.071 157 2HG LYS 20 HG2 LYS 20 -16.338 2.586 -0.948 158 1HD LYS 20 HD1 LYS 20 -15.933 1.918 1.946 159 2HD LYS 20 HD2 LYS 20 -16.642 3.460 1.458 160 1HE LYS 20 HE1 LYS 20 -17.724 0.899 0.360 161 2HE LYS 20 HE2 LYS 20 -18.182 1.425 1.980 162 1HZ LYS 20 HZ1 LYS 20 -18.450 3.626 0.313 163 2HZ LYS 20 HZ2 LYS 20 -19.686 2.731 1.045 164 3HZ LYS 20 HZ3 LYS 20 -19.155 2.326 -0.509 165 H THR 21 HN THR 21 -14.167 2.464 2.220 166 HA THR 21 HA THR 21 -11.919 4.249 1.712 167 HB THR 21 HB THR 21 -13.605 6.207 2.102 168 HG1 THR 21 HG1 THR 21 -15.465 5.051 2.416 169 1HG2 THR 21 HG21 THR 21 -12.337 5.405 -0.083 170 2HG2 THR 21 HG22 THR 21 -13.512 6.721 -0.087 171 3HG2 THR 21 HG23 THR 21 -13.996 5.104 -0.604 172 H ARG 22 HN ARG 22 -10.893 4.247 3.571 173 HA ARG 22 HA ARG 22 -12.334 3.956 6.076 174 1HB ARG 22 HB1 ARG 22 -9.863 3.089 5.186 175 2HB ARG 22 HB2 ARG 22 -9.453 4.426 6.253 176 1HG ARG 22 HG2 ARG 22 -9.422 2.551 7.631 177 2HG ARG 22 HG1 ARG 22 -10.984 3.302 7.959 178 1HD ARG 22 HD1 ARG 22 -11.089 1.393 5.767 179 2HD ARG 22 HD2 ARG 22 -10.554 0.663 7.280 180 HE ARG 22 HE ARG 22 -13.171 1.779 6.705 181 1HH1 ARG 22 HH11 ARG 22 -10.949 0.578 9.105 182 2HH1 ARG 22 HH12 ARG 22 -12.185 0.255 10.274 183 1HH2 ARG 22 HH22 ARG 22 -14.805 1.357 8.238 184 2HH2 ARG 22 HH21 ARG 22 -14.376 0.698 9.781 185 H LYS 23 HN LYS 23 -10.616 5.368 7.776 186 HA LYS 23 HA LYS 23 -10.628 8.140 6.905 187 1HB LYS 23 HB1 LYS 23 -12.924 7.605 7.846 188 2HB LYS 23 HB2 LYS 23 -12.141 7.353 9.398 189 1HG LYS 23 HG1 LYS 23 -11.607 9.594 9.640 190 2HG LYS 23 HG2 LYS 23 -11.762 9.918 7.912 191 1HD LYS 23 HD2 LYS 23 -14.273 9.021 8.624 192 2HD LYS 23 HD1 LYS 23 -13.776 9.993 10.011 193 1HE LYS 23 HE1 LYS 23 -14.601 11.688 8.775 194 2HE LYS 23 HE2 LYS 23 -13.015 11.617 8.005 195 1HZ LYS 23 HZ1 LYS 23 -14.925 9.801 6.859 196 2HZ LYS 23 HZ2 LYS 23 -13.901 10.913 6.101 197 3HZ LYS 23 HZ3 LYS 23 -15.389 11.421 6.724 198 H CYS 24 HN CYS 24 -9.238 9.435 8.036 199 HA CYS 24 HA CYS 24 -7.402 8.032 9.825 200 1HB CYS 24 HB1 CYS 24 -5.969 9.019 8.388 201 2HB CYS 24 HB2 CYS 24 -7.160 10.183 7.842 202 HG CYS 24 HG CYS 24 -6.153 10.984 10.546 203 H VAL 25 HN VAL 25 -7.499 8.352 11.930 204 HA VAL 25 HA VAL 25 -9.304 10.199 13.105 205 HB VAL 25 HB VAL 25 -7.091 8.954 14.684 206 1HG1 VAL 25 HG11 VAL 25 -10.001 9.011 15.369 207 2HG1 VAL 25 HG12 VAL 25 -9.012 10.459 15.560 208 3HG1 VAL 25 HG13 VAL 25 -8.601 8.987 16.440 209 1HG2 VAL 25 HG21 VAL 25 -8.876 6.977 14.783 210 2HG2 VAL 25 HG22 VAL 25 -7.558 7.008 13.611 211 3HG2 VAL 25 HG23 VAL 25 -9.173 7.530 13.134 212 H CYS 26 HN CYS 26 -5.993 10.378 12.170 213 HA CYS 26 HA CYS 26 -5.201 12.488 13.916 214 1HB CYS 26 HB2 CYS 26 -3.701 10.883 12.565 215 2HB CYS 26 HB1 CYS 26 -3.990 11.966 11.208 216 HG CYS 26 HG CYS 26 -2.135 12.505 13.556 217 H GLY 27 HN GLY 27 -7.180 12.343 11.153 218 1HA GLY 27 HA1 GLY 27 -8.523 14.406 10.839 219 2HA GLY 27 HA2 GLY 27 -6.998 15.275 10.849 220 H ARG 28 HN ARG 28 -8.308 12.422 9.124 221 HA ARG 28 HA ARG 28 -8.257 13.737 6.596 222 1HB ARG 28 HB2 ARG 28 -5.863 12.346 7.505 223 2HB ARG 28 HB1 ARG 28 -6.479 11.696 5.990 224 1HG ARG 28 HG2 ARG 28 -6.023 14.628 6.434 225 2HG ARG 28 HG1 ARG 28 -4.771 13.548 5.813 226 1HD ARG 28 HD2 ARG 28 -6.580 12.868 4.081 227 2HD ARG 28 HD1 ARG 28 -7.355 14.381 4.550 228 HE ARG 28 HE ARG 28 -4.610 14.244 3.478 229 1HH1 ARG 28 HH11 ARG 28 -7.760 15.722 3.670 230 2HH1 ARG 28 HH12 ARG 28 -7.366 17.006 2.577 231 1HH2 ARG 28 HH21 ARG 28 -4.082 15.930 2.038 232 2HH2 ARG 28 HH22 ARG 28 -5.274 17.125 1.648 233 H THR 29 HN THR 29 -7.922 11.561 4.927 234 HA THR 29 HA THR 29 -9.823 9.536 5.852 235 HB THR 29 HB THR 29 -10.103 11.098 3.274 236 HG1 THR 29 HG1 THR 29 -12.052 10.907 5.284 237 1HG2 THR 29 HG21 THR 29 -11.353 9.485 2.449 238 2HG2 THR 29 HG22 THR 29 -12.398 9.549 3.869 239 3HG2 THR 29 HG23 THR 29 -10.992 8.484 3.855 240 H VAL 30 HN VAL 30 -9.320 7.522 5.179 241 HA VAL 30 HA VAL 30 -6.948 7.261 3.493 242 HB VAL 30 HB VAL 30 -8.242 5.005 4.992 243 1HG1 VAL 30 HG21 VAL 30 -5.834 5.411 3.436 244 2HG1 VAL 30 HG22 VAL 30 -6.569 3.912 4.002 245 3HG1 VAL 30 HG23 VAL 30 -5.475 4.809 5.053 246 1HG2 VAL 30 HG11 VAL 30 -7.873 6.148 6.880 247 2HG2 VAL 30 HG12 VAL 30 -6.891 7.360 6.054 248 3HG2 VAL 30 HG13 VAL 30 -6.164 5.839 6.572 249 H ASN 31 HN ASN 31 -7.288 7.005 1.424 250 HA ASN 31 HA ASN 31 -9.699 5.665 0.465 251 1HB ASN 31 HB2 ASN 31 -8.247 6.491 -1.750 252 2HB ASN 31 HB1 ASN 31 -9.583 7.359 -1.002 253 1HD2 ASN 31 HD22 ASN 31 -6.088 6.897 -0.679 254 2HD2 ASN 31 HD21 ASN 31 -5.738 8.536 -0.257 255 H VAL 32 HN VAL 32 -9.612 3.540 0.053 256 HA VAL 32 HA VAL 32 -7.168 2.108 -0.067 257 HB VAL 32 HB VAL 32 -8.398 0.150 -0.360 258 1HG1 VAL 32 HG11 VAL 32 -9.470 2.183 1.404 259 2HG1 VAL 32 HG12 VAL 32 -9.140 0.478 1.711 260 3HG1 VAL 32 HG13 VAL 32 -10.672 0.962 0.985 261 1HG2 VAL 32 HG21 VAL 32 -9.854 1.531 -2.248 262 2HG2 VAL 32 HG22 VAL 32 -11.036 1.188 -0.985 263 3HG2 VAL 32 HG23 VAL 32 -10.131 -0.132 -1.726 264 H LYS 33 HN LYS 33 -7.391 0.322 -2.143 265 HA LYS 33 HA LYS 33 -6.108 1.646 -4.232 266 1HB LYS 33 HB2 LYS 33 -6.634 -0.988 -3.564 267 2HB LYS 33 HB1 LYS 33 -7.502 -0.776 -5.079 268 1HG LYS 33 HG1 LYS 33 -5.203 0.328 -5.804 269 2HG LYS 33 HG2 LYS 33 -4.591 -0.733 -4.532 270 1HD LYS 33 HD2 LYS 33 -6.281 -2.393 -5.894 271 2HD LYS 33 HD1 LYS 33 -5.631 -1.386 -7.190 272 1HE LYS 33 HE1 LYS 33 -3.400 -1.989 -6.661 273 2HE LYS 33 HE2 LYS 33 -3.891 -2.735 -5.140 274 1HZ LYS 33 HZ1 LYS 33 -3.775 -3.873 -7.741 275 2HZ LYS 33 HZ2 LYS 33 -5.327 -4.036 -7.088 276 3HZ LYS 33 HZ3 LYS 33 -3.989 -4.637 -6.247 277 H ASP 34 HN ASP 34 -7.026 1.167 -6.622 278 HA ASP 34 HA ASP 34 -9.400 2.835 -6.803 279 1HB ASP 34 HB2 ASP 34 -7.649 1.728 -9.013 280 2HB ASP 34 HB1 ASP 34 -8.882 2.974 -9.186 281 H ARG 35 HN ARG 35 -8.299 -0.348 -7.915 282 HA ARG 35 HA ARG 35 -10.991 -1.051 -8.757 283 1HB ARG 35 HB2 ARG 35 -8.866 -1.728 -10.004 284 2HB ARG 35 HB1 ARG 35 -8.594 -2.880 -8.704 285 1HG ARG 35 HG2 ARG 35 -10.336 -4.219 -9.335 286 2HG ARG 35 HG1 ARG 35 -11.229 -2.892 -10.082 287 1HD ARG 35 HD1 ARG 35 -8.709 -3.317 -11.416 288 2HD ARG 35 HD2 ARG 35 -9.651 -4.806 -11.365 289 HE ARG 35 HE ARG 35 -10.220 -2.455 -12.900 290 1HH1 ARG 35 HH22 ARG 35 -11.622 -5.241 -11.345 291 2HH1 ARG 35 HH21 ARG 35 -13.017 -5.271 -12.372 292 1HH2 ARG 35 HH12 ARG 35 -12.053 -2.488 -14.256 293 2HH2 ARG 35 HH11 ARG 35 -13.262 -3.708 -14.025 294 H ARG 36 HN ARG 36 -9.151 -3.610 -7.397 295 HA ARG 36 HA ARG 36 -11.181 -4.108 -5.427 296 1HB ARG 36 HB2 ARG 36 -8.587 -5.599 -5.492 297 2HB ARG 36 HB1 ARG 36 -10.203 -6.191 -5.133 298 1HG ARG 36 HG2 ARG 36 -10.528 -5.464 -7.705 299 2HG ARG 36 HG1 ARG 36 -8.819 -5.906 -7.712 300 1HD ARG 36 HD1 ARG 36 -10.953 -7.679 -6.555 301 2HD ARG 36 HD2 ARG 36 -10.469 -7.755 -8.248 302 HE ARG 36 HE ARG 36 -8.248 -7.959 -6.459 303 1HH1 ARG 36 HH12 ARG 36 -10.836 -9.744 -7.963 304 2HH1 ARG 36 HH11 ARG 36 -10.019 -11.267 -7.858 305 1HH2 ARG 36 HH22 ARG 36 -7.165 -9.961 -6.317 306 2HH2 ARG 36 HH21 ARG 36 -7.932 -11.391 -6.924 307 H ILE 37 HN ILE 37 -7.865 -4.684 -4.557 308 HA ILE 37 HA ILE 37 -7.695 -2.426 -2.748 309 HB ILE 37 HB ILE 37 -8.623 -5.029 -1.845 310 1HG1 ILE 37 HG12 ILE 37 -9.536 -2.680 -1.394 311 2HG1 ILE 37 HG11 ILE 37 -9.474 -3.791 -0.031 312 1HG2 ILE 37 HG21 ILE 37 -6.316 -3.890 -0.278 313 2HG2 ILE 37 HG22 ILE 37 -6.187 -5.285 -1.352 314 3HG2 ILE 37 HG23 ILE 37 -7.235 -5.356 0.063 315 1HD1 ILE 37 HD11 ILE 37 -7.621 -1.503 -0.614 316 2HD1 ILE 37 HD12 ILE 37 -7.322 -2.711 0.637 317 3HD1 ILE 37 HD13 ILE 37 -8.747 -1.674 0.734 318 H PHE 38 HN PHE 38 -5.603 -2.184 -1.825 319 HA PHE 38 HA PHE 38 -3.518 -3.525 -3.367 320 1HB PHE 38 HB1 PHE 38 -3.814 -0.910 -2.661 321 2HB PHE 38 HB2 PHE 38 -2.751 -1.479 -1.378 322 HD1 PHE 38 HD1 PHE 38 -2.752 0.074 -4.426 323 HD2 PHE 38 HD2 PHE 38 -0.810 -3.116 -2.386 324 HE1 PHE 38 HE1 PHE 38 -0.818 0.292 -5.932 325 HE2 PHE 38 HE2 PHE 38 1.126 -2.905 -3.887 326 HZ PHE 38 HZ PHE 38 1.125 -1.199 -5.662 327 H GLY 39 HN GLY 39 -1.760 -4.586 -2.374 328 1HA GLY 39 HA1 GLY 39 -0.888 -6.124 -0.908 329 2HA GLY 39 HA2 GLY 39 -1.194 -4.877 0.289 330 H ARG 40 HN ARG 40 -2.328 -7.850 -1.117 331 HA ARG 40 HA ARG 40 -4.595 -7.970 0.724 332 1HB ARG 40 HB1 ARG 40 -4.408 -8.815 -1.829 333 2HB ARG 40 HB2 ARG 40 -3.925 -10.287 -1.001 334 1HG ARG 40 HG1 ARG 40 -6.388 -8.882 -0.102 335 2HG ARG 40 HG2 ARG 40 -6.433 -9.832 -1.589 336 1HD ARG 40 HD1 ARG 40 -5.936 -10.732 1.220 337 2HD ARG 40 HD2 ARG 40 -7.070 -11.368 0.030 338 HE ARG 40 HE ARG 40 -4.376 -12.186 0.421 339 1HH1 ARG 40 HH12 ARG 40 -6.807 -11.725 -2.035 340 2HH1 ARG 40 HH11 ARG 40 -6.133 -12.910 -3.104 341 1HH2 ARG 40 HH21 ARG 40 -3.484 -13.746 -0.980 342 2HH2 ARG 40 HH22 ARG 40 -4.245 -14.059 -2.505 343 H ALA 41 HN ALA 41 -3.537 -8.174 2.696 344 HA ALA 41 HA ALA 41 -1.645 -10.362 3.037 345 1HB ALA 41 HB1 ALA 41 -0.925 -8.339 4.012 346 2HB ALA 41 HB2 ALA 41 -1.410 -9.385 5.347 347 3HB ALA 41 HB3 ALA 41 -2.476 -8.082 4.811 348 H ASP 42 HN ASP 42 -2.366 -12.301 3.548 349 HA ASP 42 HA ASP 42 -4.940 -12.656 4.838 350 1HB ASP 42 HB2 ASP 42 -3.173 -14.266 3.213 351 2HB ASP 42 HB1 ASP 42 -3.623 -15.138 4.675 352 H ASP 43 HN ASP 43 -1.533 -12.879 5.587 353 HA ASP 43 HA ASP 43 -2.035 -14.021 8.217 354 1HB ASP 43 HB1 ASP 43 0.424 -13.386 6.622 355 2HB ASP 43 HB2 ASP 43 0.549 -13.618 8.365 356 H PHE 44 HN PHE 44 -1.853 -12.953 10.135 357 HA PHE 44 HA PHE 44 -2.385 -10.208 10.242 358 1HB PHE 44 HB2 PHE 44 -1.441 -12.196 12.293 359 2HB PHE 44 HB1 PHE 44 -1.627 -10.492 12.700 360 HD1 PHE 44 HD1 PHE 44 -3.634 -9.785 13.551 361 HD2 PHE 44 HD2 PHE 44 -3.544 -13.280 11.122 362 HE1 PHE 44 HE1 PHE 44 -6.028 -10.147 13.988 363 HE2 PHE 44 HE2 PHE 44 -5.937 -13.645 11.554 364 HZ PHE 44 HZ PHE 44 -7.182 -12.079 12.989 365 H GLU 45 HN GLU 45 0.645 -11.971 10.843 366 HA GLU 45 HA GLU 45 2.200 -9.693 11.405 367 1HB GLU 45 HB2 GLU 45 4.105 -11.320 10.747 368 2HB GLU 45 HB1 GLU 45 3.135 -11.681 12.163 369 1HG GLU 45 HG1 GLU 45 1.889 -12.867 9.911 370 2HG GLU 45 HG2 GLU 45 3.603 -13.275 9.871 371 H GLU 46 HN GLU 46 1.438 -11.394 8.423 372 HA GLU 46 HA GLU 46 3.335 -10.051 6.793 373 1HB GLU 46 HB2 GLU 46 2.111 -12.220 6.266 374 2HB GLU 46 HB1 GLU 46 0.719 -11.227 5.857 375 1HG GLU 46 HG2 GLU 46 1.816 -11.719 3.831 376 2HG GLU 46 HG1 GLU 46 2.183 -10.035 4.203 377 H ALA 47 HN ALA 47 0.248 -9.198 8.055 378 HA ALA 47 HA ALA 47 -0.617 -7.309 6.181 379 1HB ALA 47 HB1 ALA 47 -1.239 -7.995 8.953 380 2HB ALA 47 HB2 ALA 47 -2.310 -7.550 7.624 381 3HB ALA 47 HB3 ALA 47 -1.501 -6.295 8.563 382 H SER 48 HN SER 48 1.147 -6.733 9.230 383 HA SER 48 HA SER 48 1.587 -4.003 8.838 384 1HB SER 48 HB2 SER 48 3.253 -6.002 10.389 385 2HB SER 48 HB1 SER 48 3.384 -4.249 10.533 386 HG SER 48 HG SER 48 1.820 -5.760 11.913 387 H GLU 49 HN GLU 49 3.428 -6.803 7.768 388 HA GLU 49 HA GLU 49 5.715 -5.366 6.898 389 1HB GLU 49 HB2 GLU 49 4.723 -8.112 6.769 390 2HB GLU 49 HB1 GLU 49 5.630 -7.645 5.337 391 1HG GLU 49 HG2 GLU 49 7.320 -6.737 7.161 392 2HG GLU 49 HG1 GLU 49 6.536 -7.978 8.138 393 H LEU 50 HN LEU 50 2.695 -6.288 5.364 394 HA LEU 50 HA LEU 50 3.441 -5.608 2.711 395 1HB LEU 50 HB1 LEU 50 1.087 -6.527 4.104 396 2HB LEU 50 HB2 LEU 50 0.666 -5.258 2.971 397 HG LEU 50 HG LEU 50 1.773 -6.552 1.163 398 1HD1 LEU 50 HD21 LEU 50 3.372 -7.811 2.442 399 2HD1 LEU 50 HD22 LEU 50 2.294 -8.932 1.610 400 3HD1 LEU 50 HD23 LEU 50 2.082 -8.619 3.333 401 1HD2 LEU 50 HD11 LEU 50 -0.038 -8.601 2.052 402 2HD2 LEU 50 HD12 LEU 50 -0.220 -7.433 0.743 403 3HD2 LEU 50 HD13 LEU 50 -0.696 -6.999 2.385 404 H VAL 51 HN VAL 51 1.836 -3.861 5.317 405 HA VAL 51 HA VAL 51 1.198 -1.529 3.891 406 HB VAL 51 HB VAL 51 1.838 -1.774 6.830 407 1HG1 VAL 51 HG21 VAL 51 0.178 0.171 6.924 408 2HG1 VAL 51 HG22 VAL 51 0.485 0.345 5.196 409 3HG1 VAL 51 HG23 VAL 51 1.809 0.511 6.349 410 1HG2 VAL 51 HG11 VAL 51 -0.137 -3.106 5.478 411 2HG2 VAL 51 HG12 VAL 51 -0.968 -1.654 6.037 412 3HG2 VAL 51 HG13 VAL 51 -0.161 -2.710 7.196 413 H ARG 52 HN ARG 52 4.093 -2.447 5.715 414 HA ARG 52 HA ARG 52 5.387 0.049 5.614 415 1HB ARG 52 HB1 ARG 52 6.430 -2.769 5.877 416 2HB ARG 52 HB2 ARG 52 7.495 -1.370 5.904 417 1HG ARG 52 HG1 ARG 52 5.694 -0.619 7.754 418 2HG ARG 52 HG2 ARG 52 5.627 -2.372 7.946 419 1HD ARG 52 HD2 ARG 52 7.283 -1.337 9.437 420 2HD ARG 52 HD1 ARG 52 8.022 -2.459 8.295 421 HE ARG 52 HE ARG 52 9.053 -0.671 7.226 422 1HH1 ARG 52 HH22 ARG 52 6.928 0.441 9.754 423 2HH1 ARG 52 HH21 ARG 52 7.571 2.050 9.762 424 1HH2 ARG 52 HH12 ARG 52 9.905 1.442 7.230 425 2HH2 ARG 52 HH11 ARG 52 9.261 2.619 8.328 426 H LYS 53 HN LYS 53 5.327 -2.673 3.375 427 HA LYS 53 HA LYS 53 7.280 -1.618 1.584 428 1HB LYS 53 HB1 LYS 53 5.337 -3.850 1.582 429 2HB LYS 53 HB2 LYS 53 5.758 -3.213 -0.001 430 1HG LYS 53 HG1 LYS 53 8.045 -3.704 1.767 431 2HG LYS 53 HG2 LYS 53 7.134 -5.144 1.305 432 1HD LYS 53 HD1 LYS 53 7.300 -3.976 -1.088 433 2HD LYS 53 HD2 LYS 53 8.759 -3.306 -0.357 434 1HE LYS 53 HE1 LYS 53 9.817 -5.305 -0.309 435 2HE LYS 53 HE2 LYS 53 8.333 -6.201 0.017 436 1HZ LYS 53 HZ1 LYS 53 8.358 -6.801 -2.102 437 2HZ LYS 53 HZ2 LYS 53 9.649 -5.766 -2.456 438 3HZ LYS 53 HZ3 LYS 53 8.059 -5.193 -2.534 439 H LEU 54 HN LEU 54 3.818 -1.320 1.982 440 HA LEU 54 HA LEU 54 3.283 -0.005 -0.482 441 1HB LEU 54 HB1 LEU 54 1.832 -0.753 1.914 442 2HB LEU 54 HB2 LEU 54 1.371 0.847 1.368 443 HG LEU 54 HG LEU 54 -0.089 -0.938 0.480 444 1HD1 LEU 54 HD11 LEU 54 1.550 0.677 -1.448 445 2HD1 LEU 54 HD12 LEU 54 -0.049 1.036 -0.795 446 3HD1 LEU 54 HD13 LEU 54 0.155 -0.278 -1.954 447 1HD2 LEU 54 HD21 LEU 54 1.267 -2.099 -1.572 448 2HD2 LEU 54 HD22 LEU 54 0.947 -2.860 -0.013 449 3HD2 LEU 54 HD23 LEU 54 2.495 -2.067 -0.306 450 H GLN 55 HN GLN 55 4.747 0.987 2.434 451 HA GLN 55 HA GLN 55 4.034 3.723 2.453 452 1HB GLN 55 HB1 GLN 55 5.920 1.993 3.853 453 2HB GLN 55 HB2 GLN 55 6.576 3.603 3.560 454 1HG GLN 55 HG2 GLN 55 3.824 3.393 4.661 455 2HG GLN 55 HG1 GLN 55 5.176 3.012 5.727 456 1HE2 GLN 55 HE22 GLN 55 3.517 5.111 6.277 457 2HE2 GLN 55 HE21 GLN 55 4.366 6.601 6.060 458 H GLU 56 HN GLU 56 6.537 4.970 2.649 459 HA GLU 56 HA GLU 56 7.076 5.543 -0.109 460 1HB GLU 56 HB2 GLU 56 7.471 6.815 2.408 461 2HB GLU 56 HB1 GLU 56 9.035 6.688 1.616 462 1HG GLU 56 HG2 GLU 56 7.654 7.599 -0.447 463 2HG GLU 56 HG1 GLU 56 6.632 8.238 0.840 464 H GLU 57 HN GLU 57 9.914 6.079 0.523 465 HA GLU 57 HA GLU 57 10.975 3.598 -0.450 466 1HB GLU 57 HB2 GLU 57 13.102 4.765 -0.569 467 2HB GLU 57 HB1 GLU 57 11.828 5.780 -1.230 468 1HG GLU 57 HG1 GLU 57 11.839 6.593 1.351 469 2HG GLU 57 HG2 GLU 57 13.537 6.177 1.120 470 H LYS 58 HN LYS 58 12.979 2.654 0.550 471 HA LYS 58 HA LYS 58 12.427 2.008 3.287 472 1HB LYS 58 HB1 LYS 58 13.442 0.558 1.288 473 2HB LYS 58 HB2 LYS 58 14.952 1.127 1.984 474 1HG LYS 58 HG2 LYS 58 14.204 0.230 4.181 475 2HG LYS 58 HG1 LYS 58 12.806 -0.469 3.361 476 1HD LYS 58 HD2 LYS 58 14.140 -2.270 3.144 477 2HD LYS 58 HD1 LYS 58 14.816 -1.366 1.786 478 1HE LYS 58 HE1 LYS 58 16.429 -0.357 3.489 479 2HE LYS 58 HE2 LYS 58 15.896 -1.641 4.575 480 1HZ LYS 58 HZ1 LYS 58 17.562 -1.797 2.197 481 2HZ LYS 58 HZ2 LYS 58 16.465 -3.064 2.419 482 3HZ LYS 58 HZ3 LYS 58 17.609 -2.717 3.615 483 H TYR 59 HN TYR 59 14.434 1.840 4.795 484 HA TYR 59 HA TYR 59 15.528 4.532 4.986 485 1HB TYR 59 HB1 TYR 59 14.622 2.671 6.865 486 2HB TYR 59 HB2 TYR 59 16.368 2.717 7.087 487 HD1 TYR 59 HD1 TYR 59 13.331 4.845 6.984 488 HD2 TYR 59 HD2 TYR 59 17.394 4.518 8.203 489 HE1 TYR 59 HE1 TYR 59 13.105 6.924 8.277 490 HE2 TYR 59 HE2 TYR 59 17.179 6.596 9.499 491 HH TYR 59 HH TYR 59 14.869 8.787 9.092 492 H GLY 60 HN GLY 60 17.696 5.033 4.987 493 1HA GLY 60 HA1 GLY 60 20.019 4.444 5.047 494 2HA GLY 60 HA2 GLY 60 19.589 2.844 4.460 495 H SER 61 HN SER 61 18.374 5.861 3.131 496 HA SER 61 HA SER 61 19.439 5.117 0.532 497 1HB SER 61 HB1 SER 61 18.056 7.650 0.541 498 2HB SER 61 HB2 SER 61 17.607 6.142 -0.256 499 HG SER 61 HG SER 61 16.159 5.862 1.226 500 H CYS 62 HN CYS 62 21.131 6.161 2.791 501 HA CYS 62 HA CYS 62 22.102 8.678 1.665 502 1HB CYS 62 HB2 CYS 62 22.873 7.206 4.195 503 2HB CYS 62 HB1 CYS 62 23.539 8.755 3.691 504 HG CYS 62 HG CYS 62 20.729 8.309 4.862 505 H HIS 63 HN HIS 63 24.555 8.918 1.645 506 HA HIS 63 HA HIS 63 26.527 8.393 0.646 507 1HB HIS 63 HB1 HIS 63 25.891 6.207 2.423 508 2HB HIS 63 HB2 HIS 63 26.801 5.623 1.034 509 HD2 HIS 63 HD2 HIS 63 27.241 8.296 3.890 510 HE1 HIS 63 HE1 HIS 63 31.025 7.091 2.428 511 HE2 HIS 63 HE2 HIS 63 29.814 8.490 4.162 512 H PHE 64 HN PHE 64 27.498 6.242 -0.716 513 HA PHE 64 HA PHE 64 25.952 6.367 -3.147 514 1HB PHE 64 HB2 PHE 64 28.559 4.975 -2.494 515 2HB PHE 64 HB1 PHE 64 27.841 5.043 -4.101 516 HD1 PHE 64 HD1 PHE 64 30.099 6.571 -1.892 517 HD2 PHE 64 HD2 PHE 64 27.311 7.450 -4.985 518 HE1 PHE 64 HE1 PHE 64 31.239 8.712 -2.304 519 HE2 PHE 64 HE2 PHE 64 28.446 9.592 -5.404 520 HZ PHE 64 HZ PHE 64 30.412 10.226 -4.062 521 H THR 65 HN THR 65 26.486 3.891 -4.295 522 HA THR 65 HA THR 65 24.556 2.231 -2.856 523 HB THR 65 HB THR 65 24.120 2.763 -5.232 524 HG1 THR 65 HG1 THR 65 23.559 0.673 -4.188 525 1HG2 THR 65 HG21 THR 65 26.692 2.541 -5.775 526 2HG2 THR 65 HG22 THR 65 25.448 2.226 -6.983 527 3HG2 THR 65 HG23 THR 65 26.216 0.882 -6.136 528 H ASN 66 HN ASN 66 24.901 -0.153 -2.915 529 HA ASN 66 HA ASN 66 27.326 -0.825 -1.662 530 1HB ASN 66 HB1 ASN 66 25.480 -2.818 -2.970 531 2HB ASN 66 HB2 ASN 66 26.491 -3.042 -1.545 532 1HD2 ASN 66 HD21 ASN 66 23.421 -2.713 -2.498 533 2HD2 ASN 66 HD22 ASN 66 22.727 -2.004 -1.084 534 HA PRO 67 HA PRO 67 30.073 -1.523 -5.058 535 1HB PRO 67 HB2 PRO 67 31.667 -3.458 -3.951 536 2HB PRO 67 HB1 PRO 67 31.810 -1.735 -3.588 537 1HG PRO 67 HG2 PRO 67 30.437 -3.891 -2.033 538 2HG PRO 67 HG1 PRO 67 31.452 -2.560 -1.446 539 1HD PRO 67 HD1 PRO 67 28.767 -2.472 -1.298 540 2HD PRO 67 HD2 PRO 67 29.736 -1.016 -1.607 541 H SER 68 HN SER 68 28.533 -4.263 -3.465 542 HA SER 68 HA SER 68 28.991 -6.037 -5.701 543 1HB SER 68 HB2 SER 68 27.552 -7.612 -4.376 544 2HB SER 68 HB1 SER 68 28.965 -7.027 -3.500 545 HG SER 68 HG SER 68 27.650 -5.604 -2.380 546 H LYS 69 HN LYS 69 26.845 -3.575 -5.024 547 HA LYS 69 HA LYS 69 24.571 -4.737 -6.410 548 1HB LYS 69 HB1 LYS 69 24.943 -2.644 -4.525 549 2HB LYS 69 HB2 LYS 69 24.279 -1.921 -5.983 550 1HG LYS 69 HG2 LYS 69 22.605 -3.942 -5.833 551 2HG LYS 69 HG1 LYS 69 23.071 -3.906 -4.131 552 1HD LYS 69 HD1 LYS 69 21.473 -2.355 -3.908 553 2HD LYS 69 HD2 LYS 69 22.622 -1.258 -4.676 554 1HE LYS 69 HE2 LYS 69 20.626 -1.006 -5.890 555 2HE LYS 69 HE1 LYS 69 21.651 -2.035 -6.892 556 1HZ LYS 69 HZ1 LYS 69 19.964 -3.484 -5.057 557 2HZ LYS 69 HZ2 LYS 69 20.243 -3.742 -6.706 558 3HZ LYS 69 HZ3 LYS 69 19.107 -2.591 -6.210 559 H ARG 70 HN ARG 70 23.511 -3.303 -8.122 560 HA ARG 70 HA ARG 70 25.462 -2.860 -10.204 561 1HB ARG 70 HB1 ARG 70 22.743 -3.595 -10.105 562 2HB ARG 70 HB2 ARG 70 22.797 -2.045 -10.934 563 1HG ARG 70 HG2 ARG 70 23.272 -3.183 -12.778 564 2HG ARG 70 HG1 ARG 70 24.867 -3.477 -12.078 565 1HD ARG 70 HD2 ARG 70 23.077 -5.343 -10.930 566 2HD ARG 70 HD1 ARG 70 22.799 -5.347 -12.671 567 HE ARG 70 HE ARG 70 25.165 -6.245 -11.281 568 1HH1 ARG 70 HH11 ARG 70 23.796 -5.222 -14.317 569 2HH1 ARG 70 HH12 ARG 70 25.006 -6.008 -15.276 570 1HH2 ARG 70 HH21 ARG 70 26.764 -7.283 -12.535 571 2HH2 ARG 70 HH22 ARG 70 26.692 -7.178 -14.263 572 H GLU 71 HN GLU 71 24.725 -0.858 -11.713 573 HA GLU 71 HA GLU 71 25.242 1.479 -10.057 574 1HB GLU 71 HB2 GLU 71 25.136 1.258 -13.072 575 2HB GLU 71 HB1 GLU 71 25.751 2.620 -12.145 576 1HG GLU 71 HG1 GLU 71 26.987 -0.017 -11.636 577 2HG GLU 71 HG2 GLU 71 27.325 0.749 -13.188 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -10.443 -12.532 5.081 2 2H MET 1 HT2 MET 1 -9.859 -12.239 6.667 3 3H MET 1 HT3 MET 1 -9.568 -13.751 5.911 4 HA MET 1 HA MET 1 -7.591 -12.708 5.677 5 1HB MET 1 HB1 MET 1 -8.996 -11.761 3.189 6 2HB MET 1 HB2 MET 1 -7.374 -12.418 3.345 7 1HG MET 1 HG1 MET 1 -8.093 -14.474 2.967 8 2HG MET 1 HG2 MET 1 -9.321 -14.337 4.224 9 1HE MET 1 HE1 MET 1 -9.648 -14.304 -0.190 10 2HE MET 1 HE2 MET 1 -9.811 -15.775 0.768 11 3HE MET 1 HE3 MET 1 -8.359 -14.784 0.912 12 H TYR 2 HN TYR 2 -6.309 -10.795 5.175 13 HA TYR 2 HA TYR 2 -7.702 -8.342 5.992 14 1HB TYR 2 HB2 TYR 2 -5.059 -9.481 6.605 15 2HB TYR 2 HB1 TYR 2 -5.041 -7.759 6.242 16 HD1 TYR 2 HD1 TYR 2 -7.491 -9.909 8.077 17 HD2 TYR 2 HD2 TYR 2 -4.843 -6.581 8.219 18 HE1 TYR 2 HE1 TYR 2 -8.235 -9.422 10.368 19 HE2 TYR 2 HE2 TYR 2 -5.581 -6.086 10.511 20 HH TYR 2 HH TYR 2 -8.146 -6.890 11.833 21 H ILE 3 HN ILE 3 -7.018 -6.329 5.051 22 HA ILE 3 HA ILE 3 -5.940 -6.577 2.320 23 HB ILE 3 HB ILE 3 -7.503 -4.761 1.647 24 1HG1 ILE 3 HG12 ILE 3 -9.087 -5.350 4.132 25 2HG1 ILE 3 HG11 ILE 3 -7.845 -4.101 4.142 26 1HG2 ILE 3 HG21 ILE 3 -7.943 -7.356 1.566 27 2HG2 ILE 3 HG22 ILE 3 -9.179 -6.196 1.073 28 3HG2 ILE 3 HG23 ILE 3 -9.248 -6.934 2.675 29 1HD1 ILE 3 HD11 ILE 3 -10.198 -3.332 3.711 30 2HD1 ILE 3 HD12 ILE 3 -10.085 -4.142 2.148 31 3HD1 ILE 3 HD13 ILE 3 -8.988 -2.817 2.537 32 H ILE 4 HN ILE 4 -5.130 -4.468 1.464 33 HA ILE 4 HA ILE 4 -4.272 -2.636 3.596 34 HB ILE 4 HB ILE 4 -2.557 -4.009 1.564 35 1HG1 ILE 4 HG11 ILE 4 -1.075 -3.542 3.819 36 2HG1 ILE 4 HG12 ILE 4 -2.699 -3.665 4.485 37 1HG2 ILE 4 HG21 ILE 4 -1.887 -1.906 0.934 38 2HG2 ILE 4 HG22 ILE 4 -0.799 -2.207 2.290 39 3HG2 ILE 4 HG23 ILE 4 -2.231 -1.200 2.515 40 1HD1 ILE 4 HD11 ILE 4 -1.220 -5.775 4.289 41 2HD1 ILE 4 HD12 ILE 4 -1.711 -5.745 2.596 42 3HD1 ILE 4 HD13 ILE 4 -2.929 -5.864 3.866 43 H PHE 5 HN PHE 5 -3.932 -0.466 2.932 44 HA PHE 5 HA PHE 5 -4.800 0.248 0.234 45 1HB PHE 5 HB1 PHE 5 -6.129 2.127 1.724 46 2HB PHE 5 HB2 PHE 5 -6.866 0.700 1.008 47 HD1 PHE 5 HD1 PHE 5 -5.749 2.274 4.088 48 HD2 PHE 5 HD2 PHE 5 -7.443 -1.228 2.368 49 HE1 PHE 5 HE1 PHE 5 -6.437 1.517 6.319 50 HE2 PHE 5 HE2 PHE 5 -8.134 -1.992 4.601 51 HZ PHE 5 HZ PHE 5 -7.627 -0.614 6.577 52 H ARG 6 HN ARG 6 -5.038 3.024 0.713 53 HA ARG 6 HA ARG 6 -2.403 3.755 1.788 54 1HB ARG 6 HB2 ARG 6 -3.371 4.035 -0.982 55 2HB ARG 6 HB1 ARG 6 -2.622 5.477 -0.308 56 1HG ARG 6 HG1 ARG 6 -0.561 4.484 -0.111 57 2HG ARG 6 HG2 ARG 6 -1.235 2.854 -0.039 58 1HD ARG 6 HD1 ARG 6 -0.391 2.833 -2.161 59 2HD ARG 6 HD2 ARG 6 -2.013 3.439 -2.488 60 HE ARG 6 HE ARG 6 -1.125 5.522 -2.972 61 1HH1 ARG 6 HH21 ARG 6 1.348 3.382 -1.769 62 2HH1 ARG 6 HH22 ARG 6 2.655 4.412 -2.249 63 1HH2 ARG 6 HH11 ARG 6 0.588 6.885 -3.608 64 2HH2 ARG 6 HH12 ARG 6 2.223 6.404 -3.293 65 H CYS 7 HN CYS 7 -2.602 5.284 3.260 66 HA CYS 7 HA CYS 7 -5.038 6.760 3.546 67 1HB CYS 7 HB1 CYS 7 -2.899 7.729 5.220 68 2HB CYS 7 HB2 CYS 7 -4.390 6.910 5.675 69 HG CYS 7 HG CYS 7 -2.459 4.848 4.772 70 H ASP 8 HN ASP 8 -5.287 9.011 3.406 71 HA ASP 8 HA ASP 8 -4.122 10.209 1.207 72 1HB ASP 8 HB1 ASP 8 -6.093 10.899 3.152 73 2HB ASP 8 HB2 ASP 8 -5.025 12.284 2.935 74 H CYS 9 HN CYS 9 -2.896 9.995 4.390 75 HA CYS 9 HA CYS 9 -1.176 12.285 4.289 76 1HB CYS 9 HB1 CYS 9 -1.904 11.136 6.401 77 2HB CYS 9 HB2 CYS 9 -0.870 9.782 5.956 78 HG CYS 9 HG CYS 9 1.167 11.103 6.561 79 H GLY 10 HN GLY 10 -1.288 9.754 2.343 80 1HA GLY 10 HA2 GLY 10 0.255 9.090 0.726 81 2HA GLY 10 HA1 GLY 10 1.520 9.914 1.629 82 H ARG 11 HN ARG 11 -0.185 8.189 3.810 83 HA ARG 11 HA ARG 11 1.891 6.163 3.987 84 1HB ARG 11 HB1 ARG 11 -0.414 6.237 5.876 85 2HB ARG 11 HB2 ARG 11 1.279 5.882 6.188 86 1HG ARG 11 HG2 ARG 11 1.497 8.459 5.500 87 2HG ARG 11 HG1 ARG 11 -0.142 8.465 6.155 88 1HD ARG 11 HD1 ARG 11 0.571 8.189 8.261 89 2HD ARG 11 HD2 ARG 11 1.777 6.990 7.792 90 HE ARG 11 HE ARG 11 3.156 8.959 7.075 91 1HH1 ARG 11 HH21 ARG 11 0.714 9.252 9.543 92 2HH1 ARG 11 HH22 ARG 11 1.481 10.596 10.322 93 1HH2 ARG 11 HH12 ARG 11 4.172 10.726 8.094 94 2HH2 ARG 11 HH11 ARG 11 3.447 11.433 9.499 95 H ALA 12 HN ALA 12 0.368 4.183 5.296 96 HA ALA 12 HA ALA 12 -1.712 3.274 3.511 97 1HB ALA 12 HB1 ALA 12 1.009 2.036 3.528 98 2HB ALA 12 HB2 ALA 12 -0.042 2.409 2.162 99 3HB ALA 12 HB3 ALA 12 -0.417 1.046 3.217 100 H LEU 13 HN LEU 13 -2.975 1.600 4.433 101 HA LEU 13 HA LEU 13 -2.132 0.676 7.096 102 1HB LEU 13 HB1 LEU 13 -4.679 2.104 6.403 103 2HB LEU 13 HB2 LEU 13 -4.596 1.023 7.779 104 HG LEU 13 HG LEU 13 -2.806 3.427 7.409 105 1HD1 LEU 13 HD21 LEU 13 -4.846 3.443 9.519 106 2HD1 LEU 13 HD22 LEU 13 -5.468 3.565 7.874 107 3HD1 LEU 13 HD23 LEU 13 -4.292 4.740 8.461 108 1HD2 LEU 13 HD11 LEU 13 -1.620 2.468 9.025 109 2HD2 LEU 13 HD12 LEU 13 -2.826 1.202 9.253 110 3HD2 LEU 13 HD13 LEU 13 -2.996 2.744 10.092 111 H TYR 14 HN TYR 14 -3.925 -0.934 7.948 112 HA TYR 14 HA TYR 14 -4.771 -2.708 5.754 113 1HB TYR 14 HB2 TYR 14 -3.998 -4.653 7.102 114 2HB TYR 14 HB1 TYR 14 -2.684 -3.618 6.552 115 HD1 TYR 14 HD1 TYR 14 -4.486 -4.902 9.439 116 HD2 TYR 14 HD2 TYR 14 -1.483 -2.179 8.148 117 HE1 TYR 14 HE1 TYR 14 -3.680 -4.704 11.753 118 HE2 TYR 14 HE2 TYR 14 -0.669 -1.972 10.459 119 HH TYR 14 HH TYR 14 -1.665 -2.286 12.797 120 H SER 15 HN SER 15 -6.653 -3.856 6.116 121 HA SER 15 HA SER 15 -7.898 -3.896 8.726 122 1HB SER 15 HB1 SER 15 -8.508 -1.655 7.652 123 2HB SER 15 HB2 SER 15 -9.438 -2.589 6.481 124 HG SER 15 HG SER 15 -10.908 -2.961 7.949 125 H ARG 16 HN ARG 16 -10.432 -4.638 8.093 126 HA ARG 16 HA ARG 16 -10.027 -7.288 7.071 127 1HB ARG 16 HB1 ARG 16 -12.283 -7.718 7.692 128 2HB ARG 16 HB2 ARG 16 -11.590 -6.707 8.953 129 1HG ARG 16 HG1 ARG 16 -13.154 -5.168 8.660 130 2HG ARG 16 HG2 ARG 16 -12.811 -5.076 6.930 131 1HD ARG 16 HD2 ARG 16 -15.060 -5.722 7.061 132 2HD ARG 16 HD1 ARG 16 -14.179 -7.210 6.709 133 HE ARG 16 HE ARG 16 -14.523 -7.901 8.957 134 1HH1 ARG 16 HH21 ARG 16 -16.179 -4.954 8.110 135 2HH1 ARG 16 HH22 ARG 16 -17.294 -5.048 9.432 136 1HH2 ARG 16 HH12 ARG 16 -15.987 -8.033 10.701 137 2HH2 ARG 16 HH11 ARG 16 -17.184 -6.799 10.905 138 H GLU 17 HN GLU 17 -10.980 -8.225 5.246 139 HA GLU 17 HA GLU 17 -10.922 -6.742 2.894 140 1HB GLU 17 HB1 GLU 17 -10.658 -9.146 2.870 141 2HB GLU 17 HB2 GLU 17 -12.286 -9.372 3.491 142 1HG GLU 17 HG2 GLU 17 -13.081 -9.440 1.433 143 2HG GLU 17 HG1 GLU 17 -12.451 -7.825 1.117 144 H GLY 18 HN GLY 18 -12.216 -5.082 2.419 145 1HA GLY 18 HA2 GLY 18 -14.671 -5.010 1.525 146 2HA GLY 18 HA1 GLY 18 -15.031 -5.188 3.235 147 H ALA 19 HN ALA 19 -12.293 -3.477 3.294 148 HA ALA 19 HA ALA 19 -13.654 -1.024 3.866 149 1HB ALA 19 HB1 ALA 19 -10.680 -1.429 3.635 150 2HB ALA 19 HB2 ALA 19 -11.616 -1.832 5.075 151 3HB ALA 19 HB3 ALA 19 -11.533 -0.161 4.515 152 H LYS 20 HN LYS 20 -14.398 0.242 2.309 153 HA LYS 20 HA LYS 20 -13.068 0.351 -0.272 154 1HB LYS 20 HB1 LYS 20 -15.044 1.026 -1.154 155 2HB LYS 20 HB2 LYS 20 -15.654 0.261 0.305 156 1HG LYS 20 HG1 LYS 20 -14.971 3.094 0.547 157 2HG LYS 20 HG2 LYS 20 -16.357 2.706 -0.474 158 1HD LYS 20 HD2 LYS 20 -17.615 2.030 1.274 159 2HD LYS 20 HD1 LYS 20 -16.245 1.269 2.085 160 1HE LYS 20 HE2 LYS 20 -16.841 3.032 3.499 161 2HE LYS 20 HE1 LYS 20 -15.460 3.649 2.593 162 1HZ LYS 20 HZ1 LYS 20 -16.934 5.380 2.446 163 2HZ LYS 20 HZ2 LYS 20 -18.297 4.381 2.376 164 3HZ LYS 20 HZ3 LYS 20 -17.298 4.545 1.020 165 H THR 21 HN THR 21 -14.026 2.537 2.324 166 HA THR 21 HA THR 21 -11.693 4.181 1.766 167 HB THR 21 HB THR 21 -13.702 6.083 2.273 168 HG1 THR 21 HG1 THR 21 -14.937 5.668 0.268 169 1HG2 THR 21 HG21 THR 21 -12.941 5.872 -0.519 170 2HG2 THR 21 HG22 THR 21 -11.567 5.840 0.587 171 3HG2 THR 21 HG23 THR 21 -12.704 7.187 0.633 172 H ARG 22 HN ARG 22 -10.691 4.244 3.650 173 HA ARG 22 HA ARG 22 -12.183 4.041 6.130 174 1HB ARG 22 HB1 ARG 22 -9.755 3.062 5.352 175 2HB ARG 22 HB2 ARG 22 -9.272 4.489 6.260 176 1HG ARG 22 HG1 ARG 22 -9.350 3.116 8.022 177 2HG ARG 22 HG2 ARG 22 -11.091 3.397 7.946 178 1HD ARG 22 HD1 ARG 22 -9.748 1.169 6.438 179 2HD ARG 22 HD2 ARG 22 -10.321 0.978 8.094 180 HE ARG 22 HE ARG 22 -12.078 1.667 5.827 181 1HH1 ARG 22 HH22 ARG 22 -11.457 0.016 8.834 182 2HH1 ARG 22 HH21 ARG 22 -13.025 -0.713 8.905 183 1HH2 ARG 22 HH11 ARG 22 -14.143 0.711 5.914 184 2HH2 ARG 22 HH12 ARG 22 -14.553 -0.319 7.246 185 H LYS 23 HN LYS 23 -10.409 5.518 7.794 186 HA LYS 23 HA LYS 23 -10.480 8.257 6.827 187 1HB LYS 23 HB1 LYS 23 -12.740 7.859 7.767 188 2HB LYS 23 HB2 LYS 23 -12.006 7.432 9.306 189 1HG LYS 23 HG2 LYS 23 -12.022 9.558 9.907 190 2HG LYS 23 HG1 LYS 23 -10.990 9.962 8.534 191 1HD LYS 23 HD1 LYS 23 -12.681 11.094 7.643 192 2HD LYS 23 HD2 LYS 23 -13.581 9.582 7.502 193 1HE LYS 23 HE2 LYS 23 -14.117 10.027 10.029 194 2HE LYS 23 HE1 LYS 23 -13.728 11.694 9.604 195 1HZ LYS 23 HZ1 LYS 23 -15.386 10.891 7.607 196 2HZ LYS 23 HZ2 LYS 23 -15.833 11.827 8.943 197 3HZ LYS 23 HZ3 LYS 23 -16.056 10.150 8.972 198 H CYS 24 HN CYS 24 -9.136 9.650 7.943 199 HA CYS 24 HA CYS 24 -7.223 8.330 9.725 200 1HB CYS 24 HB2 CYS 24 -6.521 9.602 7.597 201 2HB CYS 24 HB1 CYS 24 -6.890 11.065 8.505 202 HG CYS 24 HG CYS 24 -5.032 10.057 10.270 203 H VAL 25 HN VAL 25 -7.207 8.753 11.824 204 HA VAL 25 HA VAL 25 -9.124 10.466 13.012 205 HB VAL 25 HB VAL 25 -6.713 9.504 14.506 206 1HG1 VAL 25 HG11 VAL 25 -9.043 10.774 15.242 207 2HG1 VAL 25 HG12 VAL 25 -7.959 9.892 16.318 208 3HG1 VAL 25 HG13 VAL 25 -9.365 9.084 15.628 209 1HG2 VAL 25 HG21 VAL 25 -8.213 7.817 12.867 210 2HG2 VAL 25 HG22 VAL 25 -8.834 7.552 14.496 211 3HG2 VAL 25 HG23 VAL 25 -7.115 7.344 14.164 212 H CYS 26 HN CYS 26 -5.869 10.910 11.955 213 HA CYS 26 HA CYS 26 -5.222 13.174 13.546 214 1HB CYS 26 HB2 CYS 26 -3.706 11.601 12.077 215 2HB CYS 26 HB1 CYS 26 -4.062 12.775 10.814 216 HG CYS 26 HG CYS 26 -2.893 13.945 13.401 217 H GLY 27 HN GLY 27 -6.997 12.716 10.586 218 1HA GLY 27 HA1 GLY 27 -8.647 14.622 10.288 219 2HA GLY 27 HA2 GLY 27 -7.217 15.645 10.276 220 H ARG 28 HN ARG 28 -8.469 12.736 8.642 221 HA ARG 28 HA ARG 28 -8.328 13.879 6.056 222 1HB ARG 28 HB2 ARG 28 -5.927 12.559 7.086 223 2HB ARG 28 HB1 ARG 28 -6.496 11.866 5.572 224 1HG ARG 28 HG1 ARG 28 -6.293 13.934 4.444 225 2HG ARG 28 HG2 ARG 28 -6.070 14.812 5.959 226 1HD ARG 28 HD1 ARG 28 -4.099 12.739 5.717 227 2HD ARG 28 HD2 ARG 28 -4.087 13.755 4.276 228 HE ARG 28 HE ARG 28 -4.094 15.190 6.783 229 1HH1 ARG 28 HH22 ARG 28 -2.165 13.775 4.249 230 2HH1 ARG 28 HH21 ARG 28 -0.775 14.753 4.585 231 1HH2 ARG 28 HH11 ARG 28 -2.270 16.481 7.231 232 2HH2 ARG 28 HH12 ARG 28 -0.835 16.292 6.280 233 H THR 29 HN THR 29 -7.929 11.610 4.516 234 HA THR 29 HA THR 29 -9.778 9.594 5.561 235 HB THR 29 HB THR 29 -10.095 10.930 2.865 236 HG1 THR 29 HG1 THR 29 -11.902 11.862 3.730 237 1HG2 THR 29 HG21 THR 29 -10.797 8.624 2.754 238 2HG2 THR 29 HG22 THR 29 -12.197 9.696 2.715 239 3HG2 THR 29 HG23 THR 29 -11.787 8.835 4.198 240 H VAL 30 HN VAL 30 -9.270 7.551 4.974 241 HA VAL 30 HA VAL 30 -6.873 7.207 3.340 242 HB VAL 30 HB VAL 30 -8.316 5.152 5.010 243 1HG1 VAL 30 HG21 VAL 30 -7.031 3.917 3.550 244 2HG1 VAL 30 HG22 VAL 30 -5.902 4.164 4.882 245 3HG1 VAL 30 HG23 VAL 30 -5.784 5.159 3.431 246 1HG2 VAL 30 HG11 VAL 30 -7.582 6.533 6.663 247 2HG2 VAL 30 HG12 VAL 30 -6.284 7.204 5.675 248 3HG2 VAL 30 HG13 VAL 30 -6.102 5.608 6.404 249 H ASN 31 HN ASN 31 -7.238 6.977 1.246 250 HA ASN 31 HA ASN 31 -9.644 5.601 0.318 251 1HB ASN 31 HB2 ASN 31 -7.981 7.722 -0.704 252 2HB ASN 31 HB1 ASN 31 -8.113 6.432 -1.895 253 1HD2 ASN 31 HD21 ASN 31 -9.982 8.583 0.171 254 2HD2 ASN 31 HD22 ASN 31 -11.387 8.624 -0.835 255 H VAL 32 HN VAL 32 -9.560 3.486 -0.071 256 HA VAL 32 HA VAL 32 -7.106 2.050 -0.226 257 HB VAL 32 HB VAL 32 -8.338 0.092 -0.387 258 1HG1 VAL 32 HG11 VAL 32 -10.576 1.462 0.902 259 2HG1 VAL 32 HG12 VAL 32 -8.991 1.932 1.516 260 3HG1 VAL 32 HG13 VAL 32 -9.476 0.237 1.533 261 1HG2 VAL 32 HG21 VAL 32 -10.230 -0.279 -1.561 262 2HG2 VAL 32 HG22 VAL 32 -9.747 1.211 -2.375 263 3HG2 VAL 32 HG23 VAL 32 -10.955 1.259 -1.091 264 H LYS 33 HN LYS 33 -7.358 0.245 -2.269 265 HA LYS 33 HA LYS 33 -6.239 1.601 -4.438 266 1HB LYS 33 HB2 LYS 33 -6.851 -1.100 -3.750 267 2HB LYS 33 HB1 LYS 33 -7.418 -0.809 -5.389 268 1HG LYS 33 HG2 LYS 33 -4.907 0.348 -5.346 269 2HG LYS 33 HG1 LYS 33 -4.721 -1.123 -4.387 270 1HD LYS 33 HD1 LYS 33 -4.915 -2.447 -6.182 271 2HD LYS 33 HD2 LYS 33 -6.278 -1.523 -6.821 272 1HE LYS 33 HE1 LYS 33 -3.836 -0.005 -7.004 273 2HE LYS 33 HE2 LYS 33 -3.655 -1.574 -7.790 274 1HZ LYS 33 HZ1 LYS 33 -6.146 -0.483 -8.495 275 2HZ LYS 33 HZ2 LYS 33 -4.826 -0.829 -9.496 276 3HZ LYS 33 HZ3 LYS 33 -4.956 0.690 -8.762 277 H ASP 34 HN ASP 34 -7.276 1.046 -6.776 278 HA ASP 34 HA ASP 34 -9.737 2.598 -6.817 279 1HB ASP 34 HB2 ASP 34 -7.682 2.947 -8.361 280 2HB ASP 34 HB1 ASP 34 -8.308 1.564 -9.256 281 H ARG 35 HN ARG 35 -8.550 -0.550 -7.928 282 HA ARG 35 HA ARG 35 -11.218 -1.367 -8.722 283 1HB ARG 35 HB1 ARG 35 -9.903 -3.631 -9.017 284 2HB ARG 35 HB2 ARG 35 -9.722 -2.328 -10.182 285 1HG ARG 35 HG2 ARG 35 -7.757 -1.704 -8.434 286 2HG ARG 35 HG1 ARG 35 -7.778 -3.464 -8.298 287 1HD ARG 35 HD2 ARG 35 -6.215 -2.816 -10.014 288 2HD ARG 35 HD1 ARG 35 -7.597 -3.623 -10.755 289 HE ARG 35 HE ARG 35 -8.057 -0.856 -10.754 290 1HH1 ARG 35 HH11 ARG 35 -5.984 -3.219 -12.259 291 2HH1 ARG 35 HH12 ARG 35 -5.772 -2.298 -13.710 292 1HH2 ARG 35 HH22 ARG 35 -7.782 0.363 -12.661 293 2HH2 ARG 35 HH21 ARG 35 -6.794 -0.262 -13.938 294 H ARG 36 HN ARG 36 -9.370 -3.859 -7.293 295 HA ARG 36 HA ARG 36 -11.376 -4.290 -5.288 296 1HB ARG 36 HB2 ARG 36 -8.751 -5.755 -5.517 297 2HB ARG 36 HB1 ARG 36 -10.258 -6.332 -4.818 298 1HG ARG 36 HG2 ARG 36 -11.267 -6.223 -7.101 299 2HG ARG 36 HG1 ARG 36 -9.657 -5.863 -7.728 300 1HD ARG 36 HD1 ARG 36 -9.066 -8.007 -7.654 301 2HD ARG 36 HD2 ARG 36 -9.603 -8.159 -5.982 302 HE ARG 36 HE ARG 36 -11.853 -8.156 -7.655 303 1HH1 ARG 36 HH12 ARG 36 -9.110 -10.159 -6.873 304 2HH1 ARG 36 HH11 ARG 36 -9.923 -11.640 -7.249 305 1HH2 ARG 36 HH21 ARG 36 -12.930 -10.103 -8.154 306 2HH2 ARG 36 HH22 ARG 36 -12.094 -11.610 -7.977 307 H ILE 37 HN ILE 37 -8.021 -4.788 -4.475 308 HA ILE 37 HA ILE 37 -7.889 -2.505 -2.700 309 HB ILE 37 HB ILE 37 -8.779 -5.079 -1.762 310 1HG1 ILE 37 HG12 ILE 37 -9.631 -2.752 -1.243 311 2HG1 ILE 37 HG11 ILE 37 -9.463 -3.832 0.138 312 1HG2 ILE 37 HG21 ILE 37 -6.323 -5.403 -1.387 313 2HG2 ILE 37 HG22 ILE 37 -7.321 -5.497 0.063 314 3HG2 ILE 37 HG23 ILE 37 -6.382 -4.040 -0.266 315 1HD1 ILE 37 HD11 ILE 37 -7.783 -1.477 -0.618 316 2HD1 ILE 37 HD12 ILE 37 -7.185 -2.719 0.482 317 3HD1 ILE 37 HD13 ILE 37 -8.634 -1.800 0.893 318 H PHE 38 HN PHE 38 -5.791 -2.290 -1.674 319 HA PHE 38 HA PHE 38 -3.671 -3.439 -3.320 320 1HB PHE 38 HB1 PHE 38 -4.051 -0.903 -2.346 321 2HB PHE 38 HB2 PHE 38 -2.922 -1.567 -1.171 322 HD1 PHE 38 HD1 PHE 38 -2.891 0.521 -3.724 323 HD2 PHE 38 HD2 PHE 38 -1.166 -3.239 -2.726 324 HE1 PHE 38 HE1 PHE 38 -1.025 0.973 -5.261 325 HE2 PHE 38 HE2 PHE 38 0.703 -2.794 -4.262 326 HZ PHE 38 HZ PHE 38 0.775 -0.686 -5.531 327 H GLY 39 HN GLY 39 -1.879 -4.523 -2.418 328 1HA GLY 39 HA1 GLY 39 -1.008 -6.211 -1.109 329 2HA GLY 39 HA2 GLY 39 -1.227 -5.026 0.169 330 H ARG 40 HN ARG 40 -2.486 -7.905 -1.325 331 HA ARG 40 HA ARG 40 -4.686 -8.067 0.582 332 1HB ARG 40 HB1 ARG 40 -4.741 -8.797 -1.928 333 2HB ARG 40 HB2 ARG 40 -3.949 -10.248 -1.333 334 1HG ARG 40 HG2 ARG 40 -6.277 -10.691 -1.446 335 2HG ARG 40 HG1 ARG 40 -5.843 -10.548 0.259 336 1HD ARG 40 HD2 ARG 40 -7.874 -9.355 -0.043 337 2HD ARG 40 HD1 ARG 40 -6.593 -8.158 0.150 338 HE ARG 40 HE ARG 40 -6.831 -7.564 -2.093 339 1HH1 ARG 40 HH21 ARG 40 -8.950 -10.200 -1.244 340 2HH1 ARG 40 HH22 ARG 40 -9.924 -10.042 -2.668 341 1HH2 ARG 40 HH11 ARG 40 -8.108 -7.354 -3.968 342 2HH2 ARG 40 HH12 ARG 40 -9.445 -8.426 -4.216 343 H ALA 41 HN ALA 41 -3.595 -8.298 2.513 344 HA ALA 41 HA ALA 41 -1.711 -10.503 2.804 345 1HB ALA 41 HB1 ALA 41 -1.436 -9.539 5.121 346 2HB ALA 41 HB2 ALA 41 -2.484 -8.216 4.596 347 3HB ALA 41 HB3 ALA 41 -0.946 -8.499 3.780 348 H ASP 42 HN ASP 42 -2.356 -12.431 3.464 349 HA ASP 42 HA ASP 42 -4.981 -12.792 4.631 350 1HB ASP 42 HB1 ASP 42 -3.686 -14.340 2.929 351 2HB ASP 42 HB2 ASP 42 -2.982 -15.010 4.398 352 H ASP 43 HN ASP 43 -1.605 -13.025 5.593 353 HA ASP 43 HA ASP 43 -2.341 -13.816 8.305 354 1HB ASP 43 HB2 ASP 43 0.230 -13.661 6.777 355 2HB ASP 43 HB1 ASP 43 0.275 -13.633 8.537 356 H PHE 44 HN PHE 44 -2.249 -12.496 10.052 357 HA PHE 44 HA PHE 44 -2.406 -9.724 9.756 358 1HB PHE 44 HB1 PHE 44 -3.315 -10.860 11.710 359 2HB PHE 44 HB2 PHE 44 -1.699 -11.350 12.208 360 HD1 PHE 44 HD1 PHE 44 -0.323 -9.916 13.467 361 HD2 PHE 44 HD2 PHE 44 -3.923 -8.437 11.744 362 HE1 PHE 44 HE1 PHE 44 -0.098 -7.849 14.783 363 HE2 PHE 44 HE2 PHE 44 -3.704 -6.367 13.056 364 HZ PHE 44 HZ PHE 44 -1.791 -6.071 14.577 365 H GLU 45 HN GLU 45 0.328 -11.822 10.442 366 HA GLU 45 HA GLU 45 2.185 -9.790 11.092 367 1HB GLU 45 HB1 GLU 45 2.249 -12.666 10.548 368 2HB GLU 45 HB2 GLU 45 3.696 -11.829 10.005 369 1HG GLU 45 HG1 GLU 45 2.697 -11.248 12.736 370 2HG GLU 45 HG2 GLU 45 3.471 -12.806 12.445 371 H GLU 46 HN GLU 46 1.353 -11.413 8.060 372 HA GLU 46 HA GLU 46 3.311 -10.098 6.480 373 1HB GLU 46 HB1 GLU 46 0.885 -11.744 5.955 374 2HB GLU 46 HB2 GLU 46 1.495 -10.755 4.636 375 1HG GLU 46 HG1 GLU 46 3.574 -11.876 4.631 376 2HG GLU 46 HG2 GLU 46 3.229 -12.669 6.167 377 H ALA 47 HN ALA 47 0.188 -9.218 7.661 378 HA ALA 47 HA ALA 47 -0.559 -7.262 5.795 379 1HB ALA 47 HB1 ALA 47 -1.414 -8.129 8.405 380 2HB ALA 47 HB2 ALA 47 -2.342 -7.363 7.115 381 3HB ALA 47 HB3 ALA 47 -1.466 -6.369 8.280 382 H SER 48 HN SER 48 1.077 -6.839 8.936 383 HA SER 48 HA SER 48 1.565 -4.099 8.684 384 1HB SER 48 HB2 SER 48 2.341 -6.238 10.475 385 2HB SER 48 HB1 SER 48 3.689 -5.135 10.196 386 HG SER 48 HG SER 48 1.077 -4.323 10.949 387 H GLU 49 HN GLU 49 3.388 -6.879 7.549 388 HA GLU 49 HA GLU 49 5.737 -5.451 6.840 389 1HB GLU 49 HB2 GLU 49 4.714 -8.169 6.572 390 2HB GLU 49 HB1 GLU 49 5.646 -7.664 5.169 391 1HG GLU 49 HG2 GLU 49 7.554 -7.183 6.532 392 2HG GLU 49 HG1 GLU 49 6.628 -7.466 8.006 393 H LEU 50 HN LEU 50 2.801 -6.332 5.093 394 HA LEU 50 HA LEU 50 3.677 -5.462 2.542 395 1HB LEU 50 HB1 LEU 50 1.278 -6.533 3.724 396 2HB LEU 50 HB2 LEU 50 0.878 -5.186 2.675 397 HG LEU 50 HG LEU 50 2.471 -7.620 1.857 398 1HD1 LEU 50 HD11 LEU 50 -0.161 -7.016 0.668 399 2HD1 LEU 50 HD12 LEU 50 -0.167 -7.609 2.329 400 3HD1 LEU 50 HD13 LEU 50 0.585 -8.567 1.053 401 1HD2 LEU 50 HD21 LEU 50 3.087 -6.476 0.064 402 2HD2 LEU 50 HD22 LEU 50 2.300 -5.038 0.715 403 3HD2 LEU 50 HD23 LEU 50 1.398 -6.144 -0.322 404 H VAL 51 HN VAL 51 1.968 -3.911 5.197 405 HA VAL 51 HA VAL 51 1.347 -1.489 3.896 406 HB VAL 51 HB VAL 51 1.757 -2.120 6.816 407 1HG1 VAL 51 HG21 VAL 51 1.751 0.054 7.253 408 2HG1 VAL 51 HG22 VAL 51 0.143 0.163 6.538 409 3HG1 VAL 51 HG23 VAL 51 1.572 0.434 5.541 410 1HG2 VAL 51 HG11 VAL 51 -0.462 -2.368 4.938 411 2HG2 VAL 51 HG12 VAL 51 -0.884 -1.511 6.420 412 3HG2 VAL 51 HG13 VAL 51 -0.210 -3.139 6.505 413 H ARG 52 HN ARG 52 4.153 -2.541 5.781 414 HA ARG 52 HA ARG 52 5.467 -0.061 5.917 415 1HB ARG 52 HB1 ARG 52 6.497 -2.898 5.962 416 2HB ARG 52 HB2 ARG 52 7.556 -1.509 6.161 417 1HG ARG 52 HG1 ARG 52 5.160 -1.921 7.915 418 2HG ARG 52 HG2 ARG 52 6.715 -2.680 8.264 419 1HD ARG 52 HD2 ARG 52 7.426 -0.083 7.775 420 2HD ARG 52 HD1 ARG 52 5.867 0.098 8.579 421 HE ARG 52 HE ARG 52 8.257 -1.174 9.719 422 1HH1 ARG 52 HH21 ARG 52 5.052 0.146 10.088 423 2HH1 ARG 52 HH22 ARG 52 5.112 0.142 11.819 424 1HH2 ARG 52 HH11 ARG 52 8.343 -1.181 11.996 425 2HH2 ARG 52 HH12 ARG 52 6.982 -0.611 12.903 426 H LYS 53 HN LYS 53 5.478 -2.613 3.491 427 HA LYS 53 HA LYS 53 7.458 -1.420 1.820 428 1HB LYS 53 HB2 LYS 53 6.404 -3.866 1.860 429 2HB LYS 53 HB1 LYS 53 5.320 -3.155 0.673 430 1HG LYS 53 HG1 LYS 53 6.958 -4.031 -0.668 431 2HG LYS 53 HG2 LYS 53 7.524 -2.372 -0.467 432 1HD LYS 53 HD2 LYS 53 8.907 -3.225 1.477 433 2HD LYS 53 HD1 LYS 53 8.514 -4.852 0.917 434 1HE LYS 53 HE2 LYS 53 9.348 -3.734 -1.391 435 2HE LYS 53 HE1 LYS 53 10.327 -2.832 -0.234 436 1HZ LYS 53 HZ1 LYS 53 10.499 -5.443 0.578 437 2HZ LYS 53 HZ2 LYS 53 11.688 -4.567 -0.244 438 3HZ LYS 53 HZ3 LYS 53 10.597 -5.529 -1.108 439 H LEU 54 HN LEU 54 3.979 -1.225 2.142 440 HA LEU 54 HA LEU 54 3.466 0.261 -0.224 441 1HB LEU 54 HB1 LEU 54 1.993 -0.717 2.058 442 2HB LEU 54 HB2 LEU 54 1.533 0.936 1.706 443 HG LEU 54 HG LEU 54 0.057 -0.680 0.605 444 1HD1 LEU 54 HD11 LEU 54 -0.166 0.542 -1.293 445 2HD1 LEU 54 HD12 LEU 54 1.556 0.484 -1.669 446 3HD1 LEU 54 HD13 LEU 54 0.960 1.590 -0.431 447 1HD2 LEU 54 HD21 LEU 54 2.579 -1.895 -0.132 448 2HD2 LEU 54 HD22 LEU 54 1.525 -1.656 -1.526 449 3HD2 LEU 54 HD23 LEU 54 0.952 -2.575 -0.134 450 H GLN 55 HN GLN 55 4.838 1.063 2.801 451 HA GLN 55 HA GLN 55 4.079 3.778 2.982 452 1HB GLN 55 HB1 GLN 55 6.259 2.115 4.183 453 2HB GLN 55 HB2 GLN 55 6.299 3.862 4.376 454 1HG GLN 55 HG2 GLN 55 4.093 2.012 5.252 455 2HG GLN 55 HG1 GLN 55 5.263 2.826 6.289 456 1HE2 GLN 55 HE22 GLN 55 5.254 5.215 6.191 457 2HE2 GLN 55 HE21 GLN 55 3.729 6.011 6.030 458 H GLU 56 HN GLU 56 6.345 5.250 3.270 459 HA GLU 56 HA GLU 56 7.038 5.794 0.528 460 1HB GLU 56 HB1 GLU 56 6.889 7.282 2.900 461 2HB GLU 56 HB2 GLU 56 8.592 7.284 2.462 462 1HG GLU 56 HG1 GLU 56 8.248 8.763 0.853 463 2HG GLU 56 HG2 GLU 56 6.958 7.786 0.152 464 H GLU 57 HN GLU 57 7.961 3.264 1.325 465 HA GLU 57 HA GLU 57 10.741 3.395 2.011 466 1HB GLU 57 HB1 GLU 57 8.731 1.365 1.747 467 2HB GLU 57 HB2 GLU 57 10.151 0.894 0.822 468 1HG GLU 57 HG2 GLU 57 11.378 1.638 3.052 469 2HG GLU 57 HG1 GLU 57 9.809 1.228 3.743 470 H LYS 58 HN LYS 58 12.431 2.420 0.611 471 HA LYS 58 HA LYS 58 12.381 3.668 -1.967 472 1HB LYS 58 HB2 LYS 58 14.397 3.562 -0.463 473 2HB LYS 58 HB1 LYS 58 14.506 1.847 -0.835 474 1HG LYS 58 HG1 LYS 58 14.792 2.390 -3.208 475 2HG LYS 58 HG2 LYS 58 14.715 4.109 -2.812 476 1HD LYS 58 HD1 LYS 58 16.656 3.548 -1.176 477 2HD LYS 58 HD2 LYS 58 16.853 2.115 -2.186 478 1HE LYS 58 HE1 LYS 58 16.824 3.794 -4.154 479 2HE LYS 58 HE2 LYS 58 17.174 5.001 -2.916 480 1HZ LYS 58 HZ1 LYS 58 19.274 4.412 -3.487 481 2HZ LYS 58 HZ2 LYS 58 18.854 2.835 -3.927 482 3HZ LYS 58 HZ3 LYS 58 19.011 3.243 -2.293 483 H TYR 59 HN TYR 59 12.582 2.658 -3.986 484 HA TYR 59 HA TYR 59 11.337 0.033 -4.106 485 1HB TYR 59 HB2 TYR 59 10.898 2.227 -5.584 486 2HB TYR 59 HB1 TYR 59 12.126 1.466 -6.589 487 HD1 TYR 59 HD1 TYR 59 8.686 1.327 -5.436 488 HD2 TYR 59 HD2 TYR 59 11.706 -0.751 -7.594 489 HE1 TYR 59 HE1 TYR 59 6.970 -0.133 -6.419 490 HE2 TYR 59 HE2 TYR 59 9.997 -2.216 -8.584 491 HH TYR 59 HH TYR 59 7.578 -2.988 -7.838 492 H GLY 60 HN GLY 60 13.834 1.371 -6.247 493 1HA GLY 60 HA1 GLY 60 16.130 0.258 -5.779 494 2HA GLY 60 HA2 GLY 60 15.222 -1.214 -6.092 495 H SER 61 HN SER 61 13.949 1.206 -7.971 496 HA SER 61 HA SER 61 15.259 0.148 -10.339 497 1HB SER 61 HB2 SER 61 12.738 1.551 -9.749 498 2HB SER 61 HB1 SER 61 13.503 2.032 -11.263 499 HG SER 61 HG SER 61 13.293 -0.695 -10.672 500 H CYS 62 HN CYS 62 15.372 2.075 -12.130 501 HA CYS 62 HA CYS 62 17.381 3.902 -11.035 502 1HB CYS 62 HB2 CYS 62 16.754 3.002 -13.849 503 2HB CYS 62 HB1 CYS 62 17.900 4.291 -13.492 504 HG CYS 62 HG CYS 62 18.341 1.309 -12.743 505 H HIS 63 HN HIS 63 14.450 4.284 -10.765 506 HA HIS 63 HA HIS 63 13.765 6.474 -12.501 507 1HB HIS 63 HB1 HIS 63 12.436 5.255 -10.082 508 2HB HIS 63 HB2 HIS 63 11.785 6.669 -10.903 509 HD2 HIS 63 HD2 HIS 63 11.157 6.141 -13.708 510 HE1 HIS 63 HE1 HIS 63 10.517 2.038 -12.886 511 HE2 HIS 63 HE2 HIS 63 10.166 3.902 -14.569 512 H PHE 64 HN PHE 64 15.498 6.126 -9.592 513 HA PHE 64 HA PHE 64 14.946 8.747 -8.541 514 1HB PHE 64 HB2 PHE 64 16.052 6.405 -7.523 515 2HB PHE 64 HB1 PHE 64 17.414 7.518 -7.595 516 HD1 PHE 64 HD1 PHE 64 17.535 9.431 -6.167 517 HD2 PHE 64 HD2 PHE 64 14.110 6.906 -6.124 518 HE1 PHE 64 HE1 PHE 64 16.780 10.497 -4.083 519 HE2 PHE 64 HE2 PHE 64 13.348 7.969 -4.039 520 HZ PHE 64 HZ PHE 64 14.684 9.767 -3.016 521 H THR 65 HN THR 65 16.036 10.599 -8.869 522 HA THR 65 HA THR 65 18.170 10.558 -10.870 523 HB THR 65 HB THR 65 16.977 13.088 -9.811 524 HG1 THR 65 HG1 THR 65 15.668 11.148 -11.350 525 1HG2 THR 65 HG21 THR 65 17.561 12.357 -12.654 526 2HG2 THR 65 HG22 THR 65 18.791 13.012 -11.575 527 3HG2 THR 65 HG23 THR 65 17.350 13.957 -11.945 528 H ASN 66 HN ASN 66 20.186 10.536 -10.161 529 HA ASN 66 HA ASN 66 20.848 11.344 -7.475 530 1HB ASN 66 HB2 ASN 66 22.569 10.335 -9.750 531 2HB ASN 66 HB1 ASN 66 23.156 10.644 -8.117 532 1HD2 ASN 66 HD21 ASN 66 23.760 8.502 -7.842 533 2HD2 ASN 66 HD22 ASN 66 22.601 7.245 -7.589 534 HA PRO 67 HA PRO 67 22.131 15.515 -8.119 535 1HB PRO 67 HB1 PRO 67 24.541 15.531 -6.762 536 2HB PRO 67 HB2 PRO 67 22.956 15.722 -6.007 537 1HG PRO 67 HG2 PRO 67 24.666 13.279 -6.241 538 2HG PRO 67 HG1 PRO 67 23.688 13.839 -4.871 539 1HD PRO 67 HD2 PRO 67 22.843 11.861 -6.465 540 2HD PRO 67 HD1 PRO 67 21.709 13.058 -5.802 541 H SER 68 HN SER 68 24.520 12.978 -8.672 542 HA SER 68 HA SER 68 26.111 14.642 -10.425 543 1HB SER 68 HB1 SER 68 27.176 12.912 -9.004 544 2HB SER 68 HB2 SER 68 26.293 11.665 -9.886 545 HG SER 68 HG SER 68 28.603 12.826 -10.527 546 H LYS 69 HN LYS 69 23.383 12.627 -10.660 547 HA LYS 69 HA LYS 69 23.748 12.032 -13.481 548 1HB LYS 69 HB1 LYS 69 22.429 10.740 -11.436 549 2HB LYS 69 HB2 LYS 69 21.110 11.503 -12.313 550 1HG LYS 69 HG1 LYS 69 21.301 10.118 -14.060 551 2HG LYS 69 HG2 LYS 69 23.066 10.144 -14.017 552 1HD LYS 69 HD1 LYS 69 22.051 8.788 -11.700 553 2HD LYS 69 HD2 LYS 69 21.355 8.086 -13.163 554 1HE LYS 69 HE1 LYS 69 23.327 6.878 -12.823 555 2HE LYS 69 HE2 LYS 69 23.740 8.053 -14.071 556 1HZ LYS 69 HZ1 LYS 69 24.461 9.454 -12.000 557 2HZ LYS 69 HZ2 LYS 69 25.499 8.294 -12.665 558 3HZ LYS 69 HZ3 LYS 69 24.605 7.933 -11.275 559 H ARG 70 HN ARG 70 23.745 14.122 -14.373 560 HA ARG 70 HA ARG 70 21.490 15.872 -13.958 561 1HB ARG 70 HB2 ARG 70 22.620 17.282 -15.692 562 2HB ARG 70 HB1 ARG 70 23.623 16.912 -14.297 563 1HG ARG 70 HG1 ARG 70 24.514 14.966 -15.740 564 2HG ARG 70 HG2 ARG 70 23.820 15.867 -17.090 565 1HD ARG 70 HD1 ARG 70 26.035 16.601 -16.987 566 2HD ARG 70 HD2 ARG 70 25.116 17.874 -16.182 567 HE ARG 70 HE ARG 70 25.834 16.804 -14.052 568 1HH1 ARG 70 HH21 ARG 70 27.672 16.329 -16.973 569 2HH1 ARG 70 HH22 ARG 70 29.158 16.016 -16.141 570 1HH2 ARG 70 HH12 ARG 70 27.787 16.391 -12.946 571 2HH2 ARG 70 HH11 ARG 70 29.224 16.051 -13.853 572 H GLU 71 HN GLU 71 19.818 16.277 -15.335 573 HA GLU 71 HA GLU 71 19.323 14.261 -17.372 574 1HB GLU 71 HB2 GLU 71 17.711 15.696 -15.558 575 2HB GLU 71 HB1 GLU 71 17.240 16.240 -17.162 576 1HG GLU 71 HG2 GLU 71 15.834 14.468 -16.896 577 2HG GLU 71 HG1 GLU 71 17.198 13.674 -17.683 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -10.503 -11.758 5.584 2 2H MET 1 HT2 MET 1 -9.942 -12.103 7.169 3 3H MET 1 HT3 MET 1 -9.935 -13.331 5.971 4 HA MET 1 HA MET 1 -7.753 -12.453 6.372 5 1HB MET 1 HB2 MET 1 -7.320 -11.854 3.948 6 2HB MET 1 HB1 MET 1 -8.166 -13.371 4.219 7 1HG MET 1 HG2 MET 1 -10.213 -11.557 3.972 8 2HG MET 1 HG1 MET 1 -9.019 -10.975 2.814 9 1HE MET 1 HE1 MET 1 -12.162 -13.750 2.102 10 2HE MET 1 HE2 MET 1 -11.859 -12.256 1.216 11 3HE MET 1 HE3 MET 1 -11.944 -12.234 2.977 12 H TYR 2 HN TYR 2 -6.354 -10.585 5.305 13 HA TYR 2 HA TYR 2 -7.525 -8.048 6.239 14 1HB TYR 2 HB2 TYR 2 -4.885 -9.308 6.649 15 2HB TYR 2 HB1 TYR 2 -4.842 -7.585 6.283 16 HD1 TYR 2 HD1 TYR 2 -6.492 -10.034 8.559 17 HD2 TYR 2 HD2 TYR 2 -5.140 -6.041 7.992 18 HE1 TYR 2 HE1 TYR 2 -7.024 -9.528 10.906 19 HE2 TYR 2 HE2 TYR 2 -5.667 -5.523 10.337 20 HH TYR 2 HH TYR 2 -7.318 -7.838 12.406 21 H ILE 3 HN ILE 3 -6.875 -6.113 5.159 22 HA ILE 3 HA ILE 3 -5.922 -6.488 2.398 23 HB ILE 3 HB ILE 3 -7.477 -4.582 1.780 24 1HG1 ILE 3 HG12 ILE 3 -9.165 -5.371 4.115 25 2HG1 ILE 3 HG11 ILE 3 -7.867 -4.208 4.375 26 1HG2 ILE 3 HG21 ILE 3 -9.200 -6.838 2.616 27 2HG2 ILE 3 HG22 ILE 3 -7.829 -7.207 1.570 28 3HG2 ILE 3 HG23 ILE 3 -9.048 -6.042 1.048 29 1HD1 ILE 3 HD11 ILE 3 -9.604 -3.665 2.071 30 2HD1 ILE 3 HD12 ILE 3 -8.943 -2.572 3.288 31 3HD1 ILE 3 HD13 ILE 3 -10.367 -3.545 3.657 32 H ILE 4 HN ILE 4 -5.048 -4.472 1.444 33 HA ILE 4 HA ILE 4 -4.098 -2.585 3.493 34 HB ILE 4 HB ILE 4 -2.511 -3.953 1.347 35 1HG1 ILE 4 HG11 ILE 4 -0.863 -3.775 3.418 36 2HG1 ILE 4 HG12 ILE 4 -2.367 -3.550 4.306 37 1HG2 ILE 4 HG21 ILE 4 -2.284 -1.149 2.125 38 2HG2 ILE 4 HG22 ILE 4 -1.560 -2.012 0.761 39 3HG2 ILE 4 HG23 ILE 4 -0.790 -2.059 2.347 40 1HD1 ILE 4 HD11 ILE 4 -2.070 -5.811 4.462 41 2HD1 ILE 4 HD12 ILE 4 -1.367 -5.941 2.850 42 3HD1 ILE 4 HD13 ILE 4 -3.104 -5.700 3.037 43 H PHE 5 HN PHE 5 -3.867 -0.428 2.830 44 HA PHE 5 HA PHE 5 -4.805 0.278 0.155 45 1HB PHE 5 HB1 PHE 5 -6.181 2.103 1.625 46 2HB PHE 5 HB2 PHE 5 -6.872 0.609 1.007 47 HD1 PHE 5 HD1 PHE 5 -5.672 2.362 3.967 48 HD2 PHE 5 HD2 PHE 5 -7.335 -1.258 2.471 49 HE1 PHE 5 HE1 PHE 5 -6.230 1.677 6.256 50 HE2 PHE 5 HE2 PHE 5 -7.895 -1.949 4.766 51 HZ PHE 5 HZ PHE 5 -7.337 -0.475 6.659 52 H ARG 6 HN ARG 6 -5.135 3.033 0.658 53 HA ARG 6 HA ARG 6 -2.486 3.857 1.632 54 1HB ARG 6 HB2 ARG 6 -3.706 4.311 -1.054 55 2HB ARG 6 HB1 ARG 6 -2.711 5.587 -0.364 56 1HG ARG 6 HG1 ARG 6 -0.815 4.477 -0.754 57 2HG ARG 6 HG2 ARG 6 -1.489 2.943 -0.198 58 1HD ARG 6 HD1 ARG 6 -1.226 2.427 -2.394 59 2HD ARG 6 HD2 ARG 6 -2.833 3.148 -2.478 60 HE ARG 6 HE ARG 6 -1.312 5.275 -2.934 61 1HH1 ARG 6 HH21 ARG 6 -1.106 2.046 -4.226 62 2HH1 ARG 6 HH22 ARG 6 -0.422 2.555 -5.735 63 1HH2 ARG 6 HH11 ARG 6 -0.412 5.954 -4.915 64 2HH2 ARG 6 HH12 ARG 6 -0.028 4.776 -6.126 65 H CYS 7 HN CYS 7 -2.691 5.323 3.164 66 HA CYS 7 HA CYS 7 -5.158 6.706 3.594 67 1HB CYS 7 HB1 CYS 7 -2.975 7.711 5.191 68 2HB CYS 7 HB2 CYS 7 -4.415 6.832 5.695 69 HG CYS 7 HG CYS 7 -1.683 5.534 5.091 70 H ASP 8 HN ASP 8 -5.448 8.986 3.605 71 HA ASP 8 HA ASP 8 -4.520 10.266 1.345 72 1HB ASP 8 HB1 ASP 8 -6.561 10.791 2.853 73 2HB ASP 8 HB2 ASP 8 -5.450 11.833 3.738 74 H CYS 9 HN CYS 9 -3.000 10.039 4.419 75 HA CYS 9 HA CYS 9 -1.311 12.340 4.154 76 1HB CYS 9 HB2 CYS 9 -1.030 9.842 5.835 77 2HB CYS 9 HB1 CYS 9 -0.005 11.267 5.981 78 HG CYS 9 HG CYS 9 -1.765 12.435 7.258 79 H GLY 10 HN GLY 10 -1.566 9.819 2.223 80 1HA GLY 10 HA2 GLY 10 -0.160 9.140 0.492 81 2HA GLY 10 HA1 GLY 10 1.166 9.998 1.268 82 H ARG 11 HN ARG 11 -0.359 8.248 3.582 83 HA ARG 11 HA ARG 11 1.791 6.298 3.662 84 1HB ARG 11 HB1 ARG 11 -0.447 6.343 5.643 85 2HB ARG 11 HB2 ARG 11 1.251 5.963 5.889 86 1HG ARG 11 HG1 ARG 11 1.454 8.548 5.185 87 2HG ARG 11 HG2 ARG 11 -0.140 8.555 5.942 88 1HD ARG 11 HD1 ARG 11 1.002 7.270 7.858 89 2HD ARG 11 HD2 ARG 11 2.512 7.832 7.139 90 HE ARG 11 HE ARG 11 0.478 9.830 7.763 91 1HH1 ARG 11 HH22 ARG 11 3.505 8.304 8.567 92 2HH1 ARG 11 HH21 ARG 11 4.017 9.583 9.617 93 1HH2 ARG 11 HH12 ARG 11 1.144 11.517 9.141 94 2HH2 ARG 11 HH11 ARG 11 2.675 11.409 9.943 95 H ALA 12 HN ALA 12 0.379 4.281 5.058 96 HA ALA 12 HA ALA 12 -1.716 3.274 3.338 97 1HB ALA 12 HB1 ALA 12 -0.229 1.066 3.192 98 2HB ALA 12 HB2 ALA 12 1.067 2.261 3.210 99 3HB ALA 12 HB3 ALA 12 -0.175 2.326 1.960 100 H LEU 13 HN LEU 13 -2.902 1.569 4.324 101 HA LEU 13 HA LEU 13 -1.957 0.697 6.963 102 1HB LEU 13 HB1 LEU 13 -4.416 2.280 6.394 103 2HB LEU 13 HB2 LEU 13 -4.479 1.067 7.656 104 HG LEU 13 HG LEU 13 -2.352 3.194 7.627 105 1HD1 LEU 13 HD21 LEU 13 -4.946 3.887 7.673 106 2HD1 LEU 13 HD22 LEU 13 -3.691 4.749 8.563 107 3HD1 LEU 13 HD23 LEU 13 -4.691 3.551 9.386 108 1HD2 LEU 13 HD11 LEU 13 -1.636 1.995 9.355 109 2HD2 LEU 13 HD12 LEU 13 -3.081 0.983 9.336 110 3HD2 LEU 13 HD13 LEU 13 -3.085 2.511 10.218 111 H TYR 14 HN TYR 14 -3.724 -0.871 7.930 112 HA TYR 14 HA TYR 14 -4.645 -2.689 5.800 113 1HB TYR 14 HB2 TYR 14 -3.984 -4.570 7.384 114 2HB TYR 14 HB1 TYR 14 -2.665 -3.717 6.587 115 HD1 TYR 14 HD1 TYR 14 -1.106 -2.386 7.844 116 HD2 TYR 14 HD2 TYR 14 -4.406 -4.243 9.783 117 HE1 TYR 14 HE1 TYR 14 -0.073 -1.927 10.029 118 HE2 TYR 14 HE2 TYR 14 -3.383 -3.789 11.973 119 HH TYR 14 HH TYR 14 -1.658 -2.911 13.054 120 H SER 15 HN SER 15 -6.541 -3.807 6.198 121 HA SER 15 HA SER 15 -7.837 -3.677 8.780 122 1HB SER 15 HB1 SER 15 -8.415 -1.499 7.607 123 2HB SER 15 HB2 SER 15 -9.278 -2.467 6.415 124 HG SER 15 HG SER 15 -10.802 -1.989 7.876 125 H ARG 16 HN ARG 16 -10.370 -4.425 8.114 126 HA ARG 16 HA ARG 16 -9.971 -7.143 7.300 127 1HB ARG 16 HB2 ARG 16 -12.028 -5.611 8.624 128 2HB ARG 16 HB1 ARG 16 -12.728 -6.621 7.366 129 1HG ARG 16 HG2 ARG 16 -11.164 -8.445 8.484 130 2HG ARG 16 HG1 ARG 16 -11.371 -7.390 9.884 131 1HD ARG 16 HD2 ARG 16 -13.411 -8.186 10.237 132 2HD ARG 16 HD1 ARG 16 -13.895 -7.771 8.594 133 HE ARG 16 HE ARG 16 -13.626 -9.965 7.993 134 1HH1 ARG 16 HH11 ARG 16 -12.105 -9.429 11.082 135 2HH1 ARG 16 HH12 ARG 16 -11.806 -11.110 11.371 136 1HH2 ARG 16 HH21 ARG 16 -13.235 -12.180 8.365 137 2HH2 ARG 16 HH22 ARG 16 -12.448 -12.674 9.827 138 H GLU 17 HN GLU 17 -10.735 -8.186 5.485 139 HA GLU 17 HA GLU 17 -10.646 -6.842 3.052 140 1HB GLU 17 HB1 GLU 17 -10.612 -9.436 3.760 141 2HB GLU 17 HB2 GLU 17 -12.268 -9.325 3.181 142 1HG GLU 17 HG2 GLU 17 -9.830 -8.540 1.601 143 2HG GLU 17 HG1 GLU 17 -10.689 -10.072 1.454 144 H GLY 18 HN GLY 18 -11.999 -5.234 2.516 145 1HA GLY 18 HA2 GLY 18 -14.371 -5.286 1.455 146 2HA GLY 18 HA1 GLY 18 -14.857 -5.527 3.126 147 H ALA 19 HN ALA 19 -12.218 -3.629 3.348 148 HA ALA 19 HA ALA 19 -13.780 -1.286 3.902 149 1HB ALA 19 HB1 ALA 19 -12.101 -1.071 5.347 150 2HB ALA 19 HB2 ALA 19 -11.127 -0.510 3.988 151 3HB ALA 19 HB3 ALA 19 -11.090 -2.210 4.457 152 H LYS 20 HN LYS 20 -14.487 0.006 2.343 153 HA LYS 20 HA LYS 20 -13.054 0.195 -0.183 154 1HB LYS 20 HB2 LYS 20 -15.726 1.202 0.782 155 2HB LYS 20 HB1 LYS 20 -15.041 1.730 -0.748 156 1HG LYS 20 HG2 LYS 20 -16.263 -0.001 -1.522 157 2HG LYS 20 HG1 LYS 20 -14.811 -0.906 -1.084 158 1HD LYS 20 HD1 LYS 20 -15.917 -1.222 1.201 159 2HD LYS 20 HD2 LYS 20 -17.402 -0.674 0.420 160 1HE LYS 20 HE2 LYS 20 -16.701 -2.510 -1.357 161 2HE LYS 20 HE1 LYS 20 -15.863 -3.187 0.038 162 1HZ LYS 20 HZ1 LYS 20 -17.803 -4.098 0.564 163 2HZ LYS 20 HZ2 LYS 20 -18.654 -3.169 -0.564 164 3HZ LYS 20 HZ3 LYS 20 -18.346 -2.552 0.981 165 H THR 21 HN THR 21 -14.110 2.311 2.457 166 HA THR 21 HA THR 21 -11.894 4.108 1.857 167 HB THR 21 HB THR 21 -13.703 6.005 2.347 168 HG1 THR 21 HG1 THR 21 -15.682 5.509 1.641 169 1HG2 THR 21 HG21 THR 21 -13.592 4.840 -0.410 170 2HG2 THR 21 HG22 THR 21 -12.254 5.738 0.303 171 3HG2 THR 21 HG23 THR 21 -13.814 6.523 0.065 172 H ARG 22 HN ARG 22 -10.810 4.084 3.713 173 HA ARG 22 HA ARG 22 -12.196 3.837 6.250 174 1HB ARG 22 HB1 ARG 22 -9.419 3.545 5.288 175 2HB ARG 22 HB2 ARG 22 -9.582 4.185 6.917 176 1HG ARG 22 HG1 ARG 22 -11.171 1.781 6.234 177 2HG ARG 22 HG2 ARG 22 -9.426 1.587 6.413 178 1HD ARG 22 HD1 ARG 22 -11.463 2.407 8.438 179 2HD ARG 22 HD2 ARG 22 -10.187 1.198 8.561 180 HE ARG 22 HE ARG 22 -9.977 4.008 9.127 181 1HH1 ARG 22 HH11 ARG 22 -8.231 1.123 8.249 182 2HH1 ARG 22 HH12 ARG 22 -6.719 1.693 8.873 183 1HH2 ARG 22 HH22 ARG 22 -7.992 4.767 9.950 184 2HH2 ARG 22 HH21 ARG 22 -6.582 3.765 9.840 185 H LYS 23 HN LYS 23 -10.374 5.337 7.852 186 HA LYS 23 HA LYS 23 -10.555 8.080 6.913 187 1HB LYS 23 HB1 LYS 23 -12.757 7.554 7.992 188 2HB LYS 23 HB2 LYS 23 -11.893 7.257 9.495 189 1HG LYS 23 HG2 LYS 23 -11.080 9.575 9.468 190 2HG LYS 23 HG1 LYS 23 -12.003 9.863 7.991 191 1HD LYS 23 HD1 LYS 23 -13.676 8.691 10.021 192 2HD LYS 23 HD2 LYS 23 -12.889 10.149 10.628 193 1HE LYS 23 HE2 LYS 23 -15.045 10.655 9.589 194 2HE LYS 23 HE1 LYS 23 -13.710 11.412 8.721 195 1HZ LYS 23 HZ1 LYS 23 -15.626 10.026 7.524 196 2HZ LYS 23 HZ2 LYS 23 -14.512 8.779 7.786 197 3HZ LYS 23 HZ3 LYS 23 -14.056 10.150 6.906 198 H CYS 24 HN CYS 24 -9.192 9.500 7.971 199 HA CYS 24 HA CYS 24 -7.164 8.222 9.654 200 1HB CYS 24 HB2 CYS 24 -6.931 9.892 7.457 201 2HB CYS 24 HB1 CYS 24 -6.628 10.971 8.816 202 HG CYS 24 HG CYS 24 -4.692 8.969 7.736 203 H VAL 25 HN VAL 25 -7.064 8.640 11.755 204 HA VAL 25 HA VAL 25 -8.961 10.323 13.024 205 HB VAL 25 HB VAL 25 -6.500 9.388 14.443 206 1HG1 VAL 25 HG11 VAL 25 -7.703 9.946 16.223 207 2HG1 VAL 25 HG12 VAL 25 -8.963 8.807 15.748 208 3HG1 VAL 25 HG13 VAL 25 -9.012 10.471 15.164 209 1HG2 VAL 25 HG21 VAL 25 -6.887 7.209 14.159 210 2HG2 VAL 25 HG22 VAL 25 -7.919 7.674 12.806 211 3HG2 VAL 25 HG23 VAL 25 -8.623 7.407 14.402 212 H CYS 26 HN CYS 26 -5.780 10.831 11.808 213 HA CYS 26 HA CYS 26 -5.069 13.066 13.413 214 1HB CYS 26 HB2 CYS 26 -3.517 11.629 11.987 215 2HB CYS 26 HB1 CYS 26 -4.107 12.540 10.601 216 HG CYS 26 HG CYS 26 -2.782 14.524 11.299 217 H GLY 27 HN GLY 27 -7.228 12.639 10.793 218 1HA GLY 27 HA1 GLY 27 -8.842 14.518 10.570 219 2HA GLY 27 HA2 GLY 27 -7.438 15.571 10.484 220 H ARG 28 HN ARG 28 -8.671 12.641 8.865 221 HA ARG 28 HA ARG 28 -8.815 13.854 6.314 222 1HB ARG 28 HB2 ARG 28 -6.254 12.686 7.104 223 2HB ARG 28 HB1 ARG 28 -6.895 11.987 5.624 224 1HG ARG 28 HG1 ARG 28 -6.858 14.027 4.499 225 2HG ARG 28 HG2 ARG 28 -6.743 14.950 6.000 226 1HD ARG 28 HD1 ARG 28 -4.585 13.066 5.085 227 2HD ARG 28 HD2 ARG 28 -4.626 14.762 4.607 228 HE ARG 28 HE ARG 28 -4.619 14.032 7.451 229 1HH1 ARG 28 HH11 ARG 28 -3.126 15.596 4.716 230 2HH1 ARG 28 HH12 ARG 28 -1.951 16.434 5.674 231 1HH2 ARG 28 HH21 ARG 28 -3.077 15.133 8.717 232 2HH2 ARG 28 HH22 ARG 28 -1.923 16.172 7.948 233 H THR 29 HN THR 29 -8.373 11.634 4.688 234 HA THR 29 HA THR 29 -10.045 9.505 5.811 235 HB THR 29 HB THR 29 -10.566 10.933 3.194 236 HG1 THR 29 HG1 THR 29 -12.013 10.735 5.617 237 1HG2 THR 29 HG21 THR 29 -12.435 8.883 4.204 238 2HG2 THR 29 HG22 THR 29 -10.960 8.324 3.414 239 3HG2 THR 29 HG23 THR 29 -12.075 9.384 2.552 240 H VAL 30 HN VAL 30 -9.483 7.487 5.155 241 HA VAL 30 HA VAL 30 -7.114 7.284 3.458 242 HB VAL 30 HB VAL 30 -8.437 5.175 5.163 243 1HG1 VAL 30 HG21 VAL 30 -7.190 3.785 3.935 244 2HG1 VAL 30 HG22 VAL 30 -5.812 4.462 4.802 245 3HG1 VAL 30 HG23 VAL 30 -6.264 5.106 3.224 246 1HG2 VAL 30 HG11 VAL 30 -6.280 5.585 6.530 247 2HG2 VAL 30 HG12 VAL 30 -7.627 6.711 6.699 248 3HG2 VAL 30 HG13 VAL 30 -6.243 7.137 5.693 249 H ASN 31 HN ASN 31 -7.441 6.985 1.367 250 HA ASN 31 HA ASN 31 -9.827 5.555 0.451 251 1HB ASN 31 HB2 ASN 31 -8.588 7.844 -0.482 252 2HB ASN 31 HB1 ASN 31 -8.054 6.611 -1.621 253 1HD2 ASN 31 HD21 ASN 31 -9.903 5.112 -2.323 254 2HD2 ASN 31 HD22 ASN 31 -11.370 5.905 -2.776 255 H VAL 32 HN VAL 32 -9.675 3.448 0.015 256 HA VAL 32 HA VAL 32 -7.186 2.090 -0.104 257 HB VAL 32 HB VAL 32 -8.361 0.094 -0.403 258 1HG1 VAL 32 HG11 VAL 32 -10.654 1.012 0.968 259 2HG1 VAL 32 HG12 VAL 32 -9.299 2.022 1.468 260 3HG1 VAL 32 HG13 VAL 32 -9.202 0.269 1.638 261 1HG2 VAL 32 HG21 VAL 32 -10.913 0.264 -0.966 262 2HG2 VAL 32 HG22 VAL 32 -9.705 0.249 -2.251 263 3HG2 VAL 32 HG23 VAL 32 -10.426 1.776 -1.737 264 H LYS 33 HN LYS 33 -7.398 0.297 -2.202 265 HA LYS 33 HA LYS 33 -6.145 1.665 -4.280 266 1HB LYS 33 HB2 LYS 33 -6.831 -1.019 -3.684 267 2HB LYS 33 HB1 LYS 33 -7.416 -0.691 -5.309 268 1HG LYS 33 HG1 LYS 33 -4.817 0.395 -5.124 269 2HG LYS 33 HG2 LYS 33 -4.765 -1.233 -4.441 270 1HD LYS 33 HD1 LYS 33 -6.286 -1.626 -6.664 271 2HD LYS 33 HD2 LYS 33 -5.184 -0.360 -7.211 272 1HE LYS 33 HE1 LYS 33 -3.274 -1.697 -6.607 273 2HE LYS 33 HE2 LYS 33 -4.315 -2.928 -5.894 274 1HZ LYS 33 HZ1 LYS 33 -3.404 -2.859 -8.476 275 2HZ LYS 33 HZ2 LYS 33 -5.024 -2.389 -8.601 276 3HZ LYS 33 HZ3 LYS 33 -4.623 -3.861 -7.869 277 H ASP 34 HN ASP 34 -7.067 1.252 -6.674 278 HA ASP 34 HA ASP 34 -9.475 2.876 -6.795 279 1HB ASP 34 HB2 ASP 34 -7.660 1.889 -9.010 280 2HB ASP 34 HB1 ASP 34 -8.982 3.036 -9.206 281 H ARG 35 HN ARG 35 -8.323 -0.261 -7.979 282 HA ARG 35 HA ARG 35 -10.987 -0.990 -8.870 283 1HB ARG 35 HB1 ARG 35 -9.707 -3.267 -9.221 284 2HB ARG 35 HB2 ARG 35 -9.480 -1.924 -10.332 285 1HG ARG 35 HG2 ARG 35 -7.365 -1.451 -9.541 286 2HG ARG 35 HG1 ARG 35 -7.655 -2.242 -7.991 287 1HD ARG 35 HD2 ARG 35 -6.158 -3.599 -9.297 288 2HD ARG 35 HD1 ARG 35 -7.712 -4.422 -9.161 289 HE ARG 35 HE ARG 35 -7.967 -4.242 -11.428 290 1HH1 ARG 35 HH21 ARG 35 -5.430 -2.090 -10.394 291 2HH1 ARG 35 HH22 ARG 35 -4.937 -1.689 -12.005 292 1HH2 ARG 35 HH11 ARG 35 -7.325 -3.719 -13.553 293 2HH2 ARG 35 HH12 ARG 35 -6.013 -2.614 -13.800 294 H ARG 36 HN ARG 36 -9.226 -3.578 -7.489 295 HA ARG 36 HA ARG 36 -11.293 -4.041 -5.551 296 1HB ARG 36 HB2 ARG 36 -8.684 -5.514 -5.972 297 2HB ARG 36 HB1 ARG 36 -10.044 -6.076 -5.010 298 1HG ARG 36 HG1 ARG 36 -10.471 -5.427 -7.885 299 2HG ARG 36 HG2 ARG 36 -9.683 -6.943 -7.443 300 1HD ARG 36 HD2 ARG 36 -11.718 -7.122 -5.779 301 2HD ARG 36 HD1 ARG 36 -12.473 -6.030 -6.941 302 HE ARG 36 HE ARG 36 -12.307 -7.721 -8.590 303 1HH1 ARG 36 HH22 ARG 36 -11.260 -8.753 -5.430 304 2HH1 ARG 36 HH21 ARG 36 -11.386 -10.441 -5.799 305 1HH2 ARG 36 HH12 ARG 36 -12.476 -9.939 -9.084 306 2HH2 ARG 36 HH11 ARG 36 -12.078 -11.115 -7.876 307 H ILE 37 HN ILE 37 -7.986 -4.661 -4.652 308 HA ILE 37 HA ILE 37 -7.852 -2.432 -2.805 309 HB ILE 37 HB ILE 37 -8.754 -5.055 -1.957 310 1HG1 ILE 37 HG12 ILE 37 -9.623 -2.669 -1.461 311 2HG1 ILE 37 HG11 ILE 37 -9.661 -3.860 -0.165 312 1HG2 ILE 37 HG21 ILE 37 -7.373 -5.382 -0.020 313 2HG2 ILE 37 HG22 ILE 37 -6.420 -3.947 -0.401 314 3HG2 ILE 37 HG23 ILE 37 -6.346 -5.362 -1.453 315 1HD1 ILE 37 HD11 ILE 37 -7.899 -2.858 0.968 316 2HD1 ILE 37 HD12 ILE 37 -8.851 -1.497 0.372 317 3HD1 ILE 37 HD13 ILE 37 -7.366 -1.965 -0.456 318 H PHE 38 HN PHE 38 -5.769 -2.281 -1.737 319 HA PHE 38 HA PHE 38 -3.644 -3.407 -3.386 320 1HB PHE 38 HB1 PHE 38 -3.850 -0.919 -2.678 321 2HB PHE 38 HB2 PHE 38 -3.242 -1.469 -1.119 322 HD1 PHE 38 HD1 PHE 38 -1.040 -2.857 -1.189 323 HD2 PHE 38 HD2 PHE 38 -2.354 -0.282 -4.311 324 HE1 PHE 38 HE1 PHE 38 1.266 -2.701 -2.025 325 HE2 PHE 38 HE2 PHE 38 -0.046 -0.122 -5.153 326 HZ PHE 38 HZ PHE 38 1.767 -1.332 -4.005 327 H GLY 39 HN GLY 39 -1.952 -4.629 -2.558 328 1HA GLY 39 HA1 GLY 39 -1.148 -6.400 -1.322 329 2HA GLY 39 HA2 GLY 39 -1.237 -5.225 -0.021 330 H ARG 40 HN ARG 40 -2.633 -8.065 -1.416 331 HA ARG 40 HA ARG 40 -4.802 -8.090 0.537 332 1HB ARG 40 HB1 ARG 40 -4.662 -9.033 -2.042 333 2HB ARG 40 HB2 ARG 40 -4.441 -10.496 -1.094 334 1HG ARG 40 HG1 ARG 40 -6.658 -8.624 -0.415 335 2HG ARG 40 HG2 ARG 40 -6.829 -9.731 -1.781 336 1HD ARG 40 HD1 ARG 40 -5.996 -10.668 0.950 337 2HD ARG 40 HD2 ARG 40 -7.691 -10.522 0.486 338 HE ARG 40 HE ARG 40 -6.600 -12.021 -1.499 339 1HH1 ARG 40 HH12 ARG 40 -6.677 -12.279 1.975 340 2HH1 ARG 40 HH11 ARG 40 -6.615 -14.009 1.976 341 1HH2 ARG 40 HH21 ARG 40 -6.519 -14.303 -1.505 342 2HH2 ARG 40 HH22 ARG 40 -6.526 -15.159 0.001 343 H ALA 41 HN ALA 41 -3.680 -8.322 2.440 344 HA ALA 41 HA ALA 41 -1.872 -10.588 2.750 345 1HB ALA 41 HB1 ALA 41 -1.046 -8.570 3.674 346 2HB ALA 41 HB2 ALA 41 -1.515 -9.592 5.036 347 3HB ALA 41 HB3 ALA 41 -2.558 -8.257 4.529 348 H ASP 42 HN ASP 42 -2.539 -12.480 3.502 349 HA ASP 42 HA ASP 42 -5.188 -12.773 4.609 350 1HB ASP 42 HB2 ASP 42 -3.845 -15.206 4.899 351 2HB ASP 42 HB1 ASP 42 -4.938 -14.758 3.594 352 H ASP 43 HN ASP 43 -1.852 -12.995 5.706 353 HA ASP 43 HA ASP 43 -2.673 -13.629 8.427 354 1HB ASP 43 HB1 ASP 43 -0.189 -13.768 6.882 355 2HB ASP 43 HB2 ASP 43 0.044 -13.126 8.505 356 H PHE 44 HN PHE 44 -2.918 -12.149 9.995 357 HA PHE 44 HA PHE 44 -2.994 -9.413 9.487 358 1HB PHE 44 HB2 PHE 44 -2.801 -9.267 12.086 359 2HB PHE 44 HB1 PHE 44 -4.210 -10.036 11.364 360 HD1 PHE 44 HD1 PHE 44 -0.999 -10.662 13.056 361 HD2 PHE 44 HD2 PHE 44 -4.682 -12.321 11.720 362 HE1 PHE 44 HE1 PHE 44 -0.552 -12.699 14.365 363 HE2 PHE 44 HE2 PHE 44 -4.244 -14.360 13.026 364 HZ PHE 44 HZ PHE 44 -2.176 -14.552 14.351 365 H GLU 45 HN GLU 45 -0.392 -11.436 10.711 366 HA GLU 45 HA GLU 45 1.377 -9.328 11.410 367 1HB GLU 45 HB1 GLU 45 1.385 -12.163 11.500 368 2HB GLU 45 HB2 GLU 45 2.813 -11.675 10.596 369 1HG GLU 45 HG2 GLU 45 2.278 -10.215 13.105 370 2HG GLU 45 HG1 GLU 45 2.762 -11.903 13.256 371 H GLU 46 HN GLU 46 0.799 -11.166 8.466 372 HA GLU 46 HA GLU 46 3.016 -10.175 7.008 373 1HB GLU 46 HB1 GLU 46 0.574 -11.719 6.422 374 2HB GLU 46 HB2 GLU 46 1.191 -10.773 5.074 375 1HG GLU 46 HG1 GLU 46 3.222 -11.928 5.042 376 2HG GLU 46 HG2 GLU 46 2.970 -12.592 6.657 377 H ALA 47 HN ALA 47 -0.156 -8.948 7.699 378 HA ALA 47 HA ALA 47 -0.413 -7.034 5.665 379 1HB ALA 47 HB1 ALA 47 -2.369 -7.275 6.821 380 2HB ALA 47 HB2 ALA 47 -1.745 -5.818 7.595 381 3HB ALA 47 HB3 ALA 47 -1.561 -7.384 8.385 382 H SER 48 HN SER 48 1.133 -6.881 8.842 383 HA SER 48 HA SER 48 1.777 -4.161 8.855 384 1HB SER 48 HB2 SER 48 2.125 -6.267 10.590 385 2HB SER 48 HB1 SER 48 3.782 -5.895 10.116 386 HG SER 48 HG SER 48 3.368 -4.566 11.798 387 H GLU 49 HN GLU 49 3.739 -6.946 7.799 388 HA GLU 49 HA GLU 49 5.963 -5.407 7.015 389 1HB GLU 49 HB1 GLU 49 6.857 -7.404 6.209 390 2HB GLU 49 HB2 GLU 49 5.804 -7.920 7.510 391 1HG GLU 49 HG2 GLU 49 4.363 -8.971 6.116 392 2HG GLU 49 HG1 GLU 49 4.641 -7.839 4.793 393 H LEU 50 HN LEU 50 3.050 -6.382 5.352 394 HA LEU 50 HA LEU 50 3.906 -5.822 2.720 395 1HB LEU 50 HB1 LEU 50 1.500 -6.643 4.021 396 2HB LEU 50 HB2 LEU 50 1.120 -5.317 2.941 397 HG LEU 50 HG LEU 50 2.406 -6.661 1.154 398 1HD1 LEU 50 HD21 LEU 50 3.343 -8.564 1.795 399 2HD1 LEU 50 HD22 LEU 50 1.735 -9.207 2.131 400 3HD1 LEU 50 HD23 LEU 50 2.649 -8.406 3.410 401 1HD2 LEU 50 HD11 LEU 50 -0.073 -8.084 1.982 402 2HD2 LEU 50 HD12 LEU 50 0.424 -7.510 0.390 403 3HD2 LEU 50 HD13 LEU 50 -0.170 -6.366 1.594 404 H VAL 51 HN VAL 51 2.045 -3.884 5.048 405 HA VAL 51 HA VAL 51 1.786 -1.597 3.440 406 HB VAL 51 HB VAL 51 1.906 -1.732 6.461 407 1HG1 VAL 51 HG21 VAL 51 1.264 0.418 4.531 408 2HG1 VAL 51 HG22 VAL 51 1.977 0.512 6.142 409 3HG1 VAL 51 HG23 VAL 51 0.237 0.288 5.959 410 1HG2 VAL 51 HG11 VAL 51 -0.400 -2.123 6.494 411 2HG2 VAL 51 HG12 VAL 51 0.207 -3.208 5.244 412 3HG2 VAL 51 HG13 VAL 51 -0.588 -1.701 4.793 413 H ARG 52 HN ARG 52 4.430 -2.789 5.369 414 HA ARG 52 HA ARG 52 5.876 -0.377 5.661 415 1HB ARG 52 HB1 ARG 52 6.226 -3.026 6.438 416 2HB ARG 52 HB2 ARG 52 7.554 -2.741 5.323 417 1HG ARG 52 HG1 ARG 52 7.493 -0.492 6.970 418 2HG ARG 52 HG2 ARG 52 7.223 -1.868 8.041 419 1HD ARG 52 HD2 ARG 52 9.283 -2.754 7.656 420 2HD ARG 52 HD1 ARG 52 9.363 -2.129 6.010 421 HE ARG 52 HE ARG 52 9.578 -0.226 8.216 422 1HH1 ARG 52 HH22 ARG 52 11.111 -2.011 5.645 423 2HH1 ARG 52 HH21 ARG 52 12.530 -1.019 5.629 424 1HH2 ARG 52 HH12 ARG 52 11.444 1.085 8.201 425 2HH2 ARG 52 HH11 ARG 52 12.720 0.741 7.082 426 H LYS 53 HN LYS 53 5.904 -2.903 3.170 427 HA LYS 53 HA LYS 53 7.905 -1.676 1.557 428 1HB LYS 53 HB2 LYS 53 7.018 -4.101 1.448 429 2HB LYS 53 HB1 LYS 53 5.698 -3.434 0.499 430 1HG LYS 53 HG1 LYS 53 7.530 -2.441 -0.993 431 2HG LYS 53 HG2 LYS 53 8.611 -3.572 -0.177 432 1HD LYS 53 HD1 LYS 53 7.884 -5.260 -1.428 433 2HD LYS 53 HD2 LYS 53 6.207 -4.914 -1.001 434 1HE LYS 53 HE2 LYS 53 6.675 -2.919 -2.750 435 2HE LYS 53 HE1 LYS 53 7.754 -4.157 -3.395 436 1HZ LYS 53 HZ1 LYS 53 6.005 -5.578 -3.829 437 2HZ LYS 53 HZ2 LYS 53 5.337 -4.071 -4.212 438 3HZ LYS 53 HZ3 LYS 53 4.957 -4.816 -2.740 439 H LEU 54 HN LEU 54 4.478 -1.349 1.963 440 HA LEU 54 HA LEU 54 3.887 0.183 -0.348 441 1HB LEU 54 HB1 LEU 54 2.588 -0.486 2.215 442 2HB LEU 54 HB2 LEU 54 2.074 1.026 1.499 443 HG LEU 54 HG LEU 54 1.914 -0.701 -0.616 444 1HD1 LEU 54 HD21 LEU 54 0.381 -2.392 1.002 445 2HD1 LEU 54 HD22 LEU 54 1.994 -2.316 1.705 446 3HD1 LEU 54 HD23 LEU 54 1.787 -2.794 0.022 447 1HD2 LEU 54 HD11 LEU 54 0.301 1.007 0.037 448 2HD2 LEU 54 HD12 LEU 54 -0.251 -0.038 1.346 449 3HD2 LEU 54 HD13 LEU 54 -0.473 -0.534 -0.332 450 H GLN 55 HN GLN 55 5.220 0.893 2.786 451 HA GLN 55 HA GLN 55 4.788 3.679 2.807 452 1HB GLN 55 HB1 GLN 55 6.657 1.846 4.263 453 2HB GLN 55 HB2 GLN 55 6.814 3.587 4.435 454 1HG GLN 55 HG1 GLN 55 4.706 3.793 5.430 455 2HG GLN 55 HG2 GLN 55 4.207 2.185 4.906 456 1HE2 GLN 55 HE22 GLN 55 7.099 3.393 6.565 457 2HE2 GLN 55 HE21 GLN 55 6.966 2.341 7.929 458 H GLU 56 HN GLU 56 6.951 5.073 3.137 459 HA GLU 56 HA GLU 56 8.124 5.210 0.514 460 1HB GLU 56 HB2 GLU 56 7.989 6.919 2.908 461 2HB GLU 56 HB1 GLU 56 9.493 7.044 2.005 462 1HG GLU 56 HG2 GLU 56 6.729 7.444 0.885 463 2HG GLU 56 HG1 GLU 56 7.875 8.718 1.297 464 H GLU 57 HN GLU 57 9.479 3.491 0.188 465 HA GLU 57 HA GLU 57 11.390 2.647 2.143 466 1HB GLU 57 HB1 GLU 57 10.270 1.450 -0.016 467 2HB GLU 57 HB2 GLU 57 11.832 1.903 -0.683 468 1HG GLU 57 HG2 GLU 57 12.165 -0.246 0.125 469 2HG GLU 57 HG1 GLU 57 12.835 0.790 1.386 470 H LYS 58 HN LYS 58 13.732 2.605 1.749 471 HA LYS 58 HA LYS 58 14.670 5.215 1.038 472 1HB LYS 58 HB2 LYS 58 15.511 3.688 2.941 473 2HB LYS 58 HB1 LYS 58 16.430 2.866 1.688 474 1HG LYS 58 HG2 LYS 58 17.702 4.803 1.219 475 2HG LYS 58 HG1 LYS 58 16.628 5.823 2.178 476 1HD LYS 58 HD1 LYS 58 17.904 5.471 3.962 477 2HD LYS 58 HD2 LYS 58 17.552 3.744 3.862 478 1HE LYS 58 HE1 LYS 58 19.977 4.266 3.850 479 2HE LYS 58 HE2 LYS 58 19.436 3.383 2.423 480 1HZ LYS 58 HZ1 LYS 58 19.590 6.324 2.378 481 2HZ LYS 58 HZ2 LYS 58 19.661 5.234 1.087 482 3HZ LYS 58 HZ3 LYS 58 20.982 5.397 2.130 483 H TYR 59 HN TYR 59 15.988 5.801 -0.654 484 HA TYR 59 HA TYR 59 15.921 4.025 -2.955 485 1HB TYR 59 HB1 TYR 59 15.833 6.841 -2.570 486 2HB TYR 59 HB2 TYR 59 17.269 6.482 -3.523 487 HD1 TYR 59 HD1 TYR 59 16.937 4.960 -5.592 488 HD2 TYR 59 HD2 TYR 59 13.757 6.977 -3.612 489 HE1 TYR 59 HE1 TYR 59 15.550 4.744 -7.612 490 HE2 TYR 59 HE2 TYR 59 12.363 6.766 -5.626 491 HH TYR 59 HH TYR 59 12.400 4.980 -7.715 492 H GLY 60 HN GLY 60 18.034 4.466 -4.428 493 1HA GLY 60 HA2 GLY 60 20.552 4.812 -3.541 494 2HA GLY 60 HA1 GLY 60 20.172 3.209 -2.933 495 H SER 61 HN SER 61 18.532 3.877 -5.800 496 HA SER 61 HA SER 61 20.262 2.050 -7.255 497 1HB SER 61 HB2 SER 61 17.482 3.084 -7.602 498 2HB SER 61 HB1 SER 61 18.341 2.518 -9.035 499 HG SER 61 HG SER 61 17.096 0.888 -7.896 500 H CYS 62 HN CYS 62 18.602 5.052 -8.232 501 HA CYS 62 HA CYS 62 21.108 5.969 -9.458 502 1HB CYS 62 HB2 CYS 62 18.649 6.613 -10.961 503 2HB CYS 62 HB1 CYS 62 20.247 6.171 -11.551 504 HG CYS 62 HG CYS 62 19.609 3.749 -11.555 505 H HIS 63 HN HIS 63 21.172 8.280 -9.870 506 HA HIS 63 HA HIS 63 19.355 9.779 -8.099 507 1HB HIS 63 HB1 HIS 63 22.011 9.488 -7.679 508 2HB HIS 63 HB2 HIS 63 22.019 10.930 -8.689 509 HD2 HIS 63 HD2 HIS 63 20.203 9.803 -5.363 510 HE1 HIS 63 HE1 HIS 63 20.964 13.967 -5.295 511 HE2 HIS 63 HE2 HIS 63 20.040 11.998 -3.989 512 H PHE 64 HN PHE 64 21.806 10.916 -10.390 513 HA PHE 64 HA PHE 64 20.077 12.899 -11.454 514 1HB PHE 64 HB1 PHE 64 22.807 11.880 -12.186 515 2HB PHE 64 HB2 PHE 64 21.970 13.017 -13.239 516 HD1 PHE 64 HD1 PHE 64 21.040 15.159 -12.050 517 HD2 PHE 64 HD2 PHE 64 24.155 12.700 -10.513 518 HE1 PHE 64 HE1 PHE 64 21.829 17.033 -10.664 519 HE2 PHE 64 HE2 PHE 64 24.949 14.569 -9.123 520 HZ PHE 64 HZ PHE 64 23.786 16.739 -9.198 521 H THR 65 HN THR 65 19.122 13.047 -13.494 522 HA THR 65 HA THR 65 18.455 10.456 -14.673 523 HB THR 65 HB THR 65 16.744 11.924 -15.936 524 HG1 THR 65 HG1 THR 65 16.280 13.876 -14.815 525 1HG2 THR 65 HG21 THR 65 15.849 10.554 -14.275 526 2HG2 THR 65 HG22 THR 65 15.292 12.178 -13.875 527 3HG2 THR 65 HG23 THR 65 16.632 11.462 -12.982 528 H ASN 66 HN ASN 66 18.257 10.313 -17.046 529 HA ASN 66 HA ASN 66 20.662 11.289 -18.292 530 1HB ASN 66 HB2 ASN 66 18.663 9.224 -18.823 531 2HB ASN 66 HB1 ASN 66 19.165 10.071 -20.283 532 1HD2 ASN 66 HD21 ASN 66 20.439 8.437 -17.423 533 2HD2 ASN 66 HD22 ASN 66 21.851 7.807 -18.195 534 HA PRO 67 HA PRO 67 19.186 14.943 -20.265 535 1HB PRO 67 HB2 PRO 67 20.516 13.950 -22.731 536 2HB PRO 67 HB1 PRO 67 20.726 15.482 -21.877 537 1HG PRO 67 HG2 PRO 67 22.577 13.573 -21.719 538 2HG PRO 67 HG1 PRO 67 22.160 14.558 -20.304 539 1HD PRO 67 HD2 PRO 67 21.370 11.750 -20.962 540 2HD PRO 67 HD1 PRO 67 21.797 12.463 -19.394 541 H SER 68 HN SER 68 18.983 11.976 -22.214 542 HA SER 68 HA SER 68 16.768 13.003 -23.759 543 1HB SER 68 HB1 SER 68 16.867 10.336 -24.349 544 2HB SER 68 HB2 SER 68 17.821 11.573 -25.167 545 HG SER 68 HG SER 68 18.834 10.486 -22.803 546 H LYS 69 HN LYS 69 17.092 11.639 -20.738 547 HA LYS 69 HA LYS 69 14.587 10.170 -20.771 548 1HB LYS 69 HB1 LYS 69 16.667 9.467 -19.475 549 2HB LYS 69 HB2 LYS 69 16.300 10.780 -18.365 550 1HG LYS 69 HG1 LYS 69 14.115 9.757 -17.904 551 2HG LYS 69 HG2 LYS 69 14.533 8.422 -18.980 552 1HD LYS 69 HD2 LYS 69 16.628 8.861 -17.058 553 2HD LYS 69 HD1 LYS 69 15.080 8.636 -16.243 554 1HE LYS 69 HE1 LYS 69 15.999 6.480 -16.468 555 2HE LYS 69 HE2 LYS 69 14.753 6.602 -17.711 556 1HZ LYS 69 HZ1 LYS 69 17.689 6.759 -18.062 557 2HZ LYS 69 HZ2 LYS 69 16.603 7.242 -19.266 558 3HZ LYS 69 HZ3 LYS 69 16.619 5.635 -18.734 559 H ARG 70 HN ARG 70 12.865 11.498 -20.919 560 HA ARG 70 HA ARG 70 12.748 13.987 -19.455 561 1HB ARG 70 HB1 ARG 70 10.513 12.658 -20.988 562 2HB ARG 70 HB2 ARG 70 10.659 14.358 -20.564 563 1HG ARG 70 HG2 ARG 70 12.930 13.962 -22.008 564 2HG ARG 70 HG1 ARG 70 11.799 12.868 -22.809 565 1HD ARG 70 HD2 ARG 70 10.617 14.552 -23.691 566 2HD ARG 70 HD1 ARG 70 10.655 15.482 -22.194 567 HE ARG 70 HE ARG 70 12.840 15.451 -24.173 568 1HH1 ARG 70 HH11 ARG 70 10.921 17.056 -21.747 569 2HH1 ARG 70 HH12 ARG 70 11.744 18.571 -21.914 570 1HH2 ARG 70 HH21 ARG 70 13.929 17.440 -24.399 571 2HH2 ARG 70 HH22 ARG 70 13.456 18.789 -23.422 572 H GLU 71 HN GLU 71 11.733 14.358 -17.574 573 HA GLU 71 HA GLU 71 10.653 12.064 -16.144 574 1HB GLU 71 HB1 GLU 71 12.311 13.580 -15.068 575 2HB GLU 71 HB2 GLU 71 11.133 14.883 -15.159 576 1HG GLU 71 HG2 GLU 71 9.666 13.764 -13.653 577 2HG GLU 71 HG1 GLU 71 10.651 12.302 -13.696 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -9.692 -12.393 6.654 2 2H MET 1 HT2 MET 1 -8.458 -12.864 7.748 3 3H MET 1 HT3 MET 1 -8.885 -13.893 6.444 4 HA MET 1 HA MET 1 -6.809 -12.646 6.149 5 1HB MET 1 HB2 MET 1 -7.392 -12.034 3.815 6 2HB MET 1 HB1 MET 1 -8.018 -13.610 4.282 7 1HG MET 1 HG2 MET 1 -10.140 -12.986 3.999 8 2HG MET 1 HG1 MET 1 -9.883 -11.418 4.763 9 1HE MET 1 HE1 MET 1 -10.835 -12.023 0.548 10 2HE MET 1 HE2 MET 1 -11.432 -12.710 2.059 11 3HE MET 1 HE3 MET 1 -9.986 -13.375 1.298 12 H TYR 2 HN TYR 2 -6.166 -10.536 4.957 13 HA TYR 2 HA TYR 2 -7.612 -8.238 6.069 14 1HB TYR 2 HB2 TYR 2 -4.705 -8.906 6.432 15 2HB TYR 2 HB1 TYR 2 -5.251 -7.233 6.469 16 HD1 TYR 2 HD1 TYR 2 -4.213 -9.614 8.563 17 HD2 TYR 2 HD2 TYR 2 -7.691 -7.239 7.956 18 HE1 TYR 2 HE1 TYR 2 -4.791 -9.863 10.939 19 HE2 TYR 2 HE2 TYR 2 -8.278 -7.481 10.331 20 HH TYR 2 HH TYR 2 -7.312 -9.679 12.250 21 H ILE 3 HN ILE 3 -7.002 -6.187 5.073 22 HA ILE 3 HA ILE 3 -5.981 -6.470 2.326 23 HB ILE 3 HB ILE 3 -7.623 -4.666 1.687 24 1HG1 ILE 3 HG12 ILE 3 -9.350 -5.450 3.973 25 2HG1 ILE 3 HG11 ILE 3 -8.031 -4.336 4.323 26 1HG2 ILE 3 HG21 ILE 3 -7.881 -7.225 1.378 27 2HG2 ILE 3 HG22 ILE 3 -9.270 -6.171 1.098 28 3HG2 ILE 3 HG23 ILE 3 -9.135 -7.073 2.610 29 1HD1 ILE 3 HD11 ILE 3 -9.795 -3.759 2.007 30 2HD1 ILE 3 HD12 ILE 3 -8.941 -2.654 3.086 31 3HD1 ILE 3 HD13 ILE 3 -10.404 -3.470 3.638 32 H ILE 4 HN ILE 4 -4.900 -4.613 1.491 33 HA ILE 4 HA ILE 4 -4.141 -2.659 3.564 34 HB ILE 4 HB ILE 4 -2.507 -4.042 1.479 35 1HG1 ILE 4 HG11 ILE 4 -0.906 -3.608 3.620 36 2HG1 ILE 4 HG12 ILE 4 -2.482 -3.582 4.405 37 1HG2 ILE 4 HG21 ILE 4 -0.800 -2.095 2.355 38 2HG2 ILE 4 HG22 ILE 4 -2.303 -1.200 2.120 39 3HG2 ILE 4 HG23 ILE 4 -1.607 -2.118 0.784 40 1HD1 ILE 4 HD11 ILE 4 -2.911 -5.788 3.914 41 2HD1 ILE 4 HD12 ILE 4 -1.174 -5.801 4.220 42 3HD1 ILE 4 HD13 ILE 4 -1.776 -5.816 2.563 43 H PHE 5 HN PHE 5 -3.872 -0.480 2.931 44 HA PHE 5 HA PHE 5 -4.804 0.264 0.262 45 1HB PHE 5 HB1 PHE 5 -6.127 2.111 1.797 46 2HB PHE 5 HB2 PHE 5 -6.860 0.695 1.060 47 HD1 PHE 5 HD1 PHE 5 -5.979 2.333 4.125 48 HD2 PHE 5 HD2 PHE 5 -7.191 -1.371 2.422 49 HE1 PHE 5 HE1 PHE 5 -6.666 1.542 6.347 50 HE2 PHE 5 HE2 PHE 5 -7.879 -2.170 4.645 51 HZ PHE 5 HZ PHE 5 -7.613 -0.709 6.609 52 H ARG 6 HN ARG 6 -4.988 3.000 0.584 53 HA ARG 6 HA ARG 6 -2.471 3.831 1.834 54 1HB ARG 6 HB2 ARG 6 -3.181 4.304 -1.066 55 2HB ARG 6 HB1 ARG 6 -1.849 5.090 -0.228 56 1HG ARG 6 HG1 ARG 6 -0.591 3.408 -0.949 57 2HG ARG 6 HG2 ARG 6 -1.409 2.416 0.260 58 1HD ARG 6 HD2 ARG 6 -2.377 1.195 -1.320 59 2HD ARG 6 HD1 ARG 6 -3.045 2.638 -2.082 60 HE ARG 6 HE ARG 6 -0.386 1.514 -2.682 61 1HH1 ARG 6 HH22 ARG 6 -3.241 3.288 -3.601 62 2HH1 ARG 6 HH21 ARG 6 -2.741 3.493 -5.246 63 1HH2 ARG 6 HH11 ARG 6 0.281 1.780 -4.847 64 2HH2 ARG 6 HH12 ARG 6 -0.740 2.637 -5.954 65 H CYS 7 HN CYS 7 -2.826 5.563 3.042 66 HA CYS 7 HA CYS 7 -5.194 7.156 2.711 67 1HB CYS 7 HB2 CYS 7 -4.229 6.571 4.950 68 2HB CYS 7 HB1 CYS 7 -2.873 7.633 4.583 69 HG CYS 7 HG CYS 7 -4.518 9.656 4.634 70 H ASP 8 HN ASP 8 -5.147 9.495 2.473 71 HA ASP 8 HA ASP 8 -3.736 10.319 0.240 72 1HB ASP 8 HB1 ASP 8 -5.685 11.431 1.999 73 2HB ASP 8 HB2 ASP 8 -4.428 12.638 1.748 74 H CYS 9 HN CYS 9 -2.709 10.244 3.504 75 HA CYS 9 HA CYS 9 -0.676 12.256 3.300 76 1HB CYS 9 HB1 CYS 9 -1.681 11.434 5.460 77 2HB CYS 9 HB2 CYS 9 -0.795 9.931 5.227 78 HG CYS 9 HG CYS 9 1.222 10.997 6.113 79 H GLY 10 HN GLY 10 -1.055 9.550 1.629 80 1HA GLY 10 HA1 GLY 10 0.412 8.433 0.227 81 2HA GLY 10 HA2 GLY 10 1.743 9.299 0.981 82 H ARG 11 HN ARG 11 -0.245 7.970 3.307 83 HA ARG 11 HA ARG 11 1.774 5.960 3.922 84 1HB ARG 11 HB2 ARG 11 0.898 5.873 6.096 85 2HB ARG 11 HB1 ARG 11 0.792 7.566 5.640 86 1HG ARG 11 HG1 ARG 11 -1.424 7.596 5.834 87 2HG ARG 11 HG2 ARG 11 -1.610 6.056 4.993 88 1HD ARG 11 HD1 ARG 11 -2.414 5.742 7.205 89 2HD ARG 11 HD2 ARG 11 -0.856 4.923 7.099 90 HE ARG 11 HE ARG 11 0.105 6.821 8.295 91 1HH1 ARG 11 HH12 ARG 11 -3.359 6.449 8.373 92 2HH1 ARG 11 HH11 ARG 11 -3.553 7.357 9.835 93 1HH2 ARG 11 HH21 ARG 11 -0.141 8.017 10.220 94 2HH2 ARG 11 HH22 ARG 11 -1.722 8.248 10.885 95 H ALA 12 HN ALA 12 0.211 4.129 5.336 96 HA ALA 12 HA ALA 12 -1.813 3.056 3.576 97 1HB ALA 12 HB1 ALA 12 0.942 2.093 3.499 98 2HB ALA 12 HB2 ALA 12 -0.380 1.842 2.358 99 3HB ALA 12 HB3 ALA 12 -0.244 0.819 3.789 100 H LEU 13 HN LEU 13 -2.931 1.211 4.520 101 HA LEU 13 HA LEU 13 -2.233 0.576 7.284 102 1HB LEU 13 HB1 LEU 13 -4.684 2.039 6.434 103 2HB LEU 13 HB2 LEU 13 -4.827 0.865 7.727 104 HG LEU 13 HG LEU 13 -2.584 2.676 8.137 105 1HD1 LEU 13 HD21 LEU 13 -4.387 4.486 8.849 106 2HD1 LEU 13 HD22 LEU 13 -5.254 3.787 7.482 107 3HD1 LEU 13 HD23 LEU 13 -3.649 4.477 7.247 108 1HD2 LEU 13 HD11 LEU 13 -4.866 2.638 9.987 109 2HD2 LEU 13 HD12 LEU 13 -3.147 2.385 10.292 110 3HD2 LEU 13 HD13 LEU 13 -4.135 1.067 9.662 111 H TYR 14 HN TYR 14 -4.148 -0.982 8.129 112 HA TYR 14 HA TYR 14 -4.811 -2.890 5.994 113 1HB TYR 14 HB2 TYR 14 -3.992 -4.757 7.255 114 2HB TYR 14 HB1 TYR 14 -2.694 -3.572 7.156 115 HD1 TYR 14 HD1 TYR 14 -4.525 -5.674 9.315 116 HD2 TYR 14 HD2 TYR 14 -2.512 -1.928 9.191 117 HE1 TYR 14 HE1 TYR 14 -4.311 -5.714 11.764 118 HE2 TYR 14 HE2 TYR 14 -2.292 -1.958 11.639 119 HH TYR 14 HH TYR 14 -4.037 -3.796 13.620 120 H SER 15 HN SER 15 -6.720 -3.978 6.253 121 HA SER 15 HA SER 15 -8.139 -3.957 8.770 122 1HB SER 15 HB1 SER 15 -8.638 -1.722 7.615 123 2HB SER 15 HB2 SER 15 -9.516 -2.667 6.413 124 HG SER 15 HG SER 15 -10.578 -1.771 8.501 125 H ARG 16 HN ARG 16 -10.594 -4.767 8.086 126 HA ARG 16 HA ARG 16 -10.110 -7.375 6.984 127 1HB ARG 16 HB1 ARG 16 -12.453 -7.818 7.467 128 2HB ARG 16 HB2 ARG 16 -11.660 -7.080 8.853 129 1HG ARG 16 HG1 ARG 16 -12.678 -4.930 7.442 130 2HG ARG 16 HG2 ARG 16 -13.928 -6.170 7.314 131 1HD ARG 16 HD2 ARG 16 -14.223 -6.289 9.612 132 2HD ARG 16 HD1 ARG 16 -12.640 -5.591 9.947 133 HE ARG 16 HE ARG 16 -14.468 -3.800 8.622 134 1HH1 ARG 16 HH22 ARG 16 -13.328 -5.005 11.687 135 2HH1 ARG 16 HH21 ARG 16 -13.837 -3.606 12.572 136 1HH2 ARG 16 HH12 ARG 16 -15.141 -1.956 9.778 137 2HH2 ARG 16 HH11 ARG 16 -14.867 -1.873 11.487 138 H GLU 17 HN GLU 17 -11.226 -8.294 5.182 139 HA GLU 17 HA GLU 17 -11.109 -6.765 2.845 140 1HB GLU 17 HB1 GLU 17 -11.151 -9.368 3.254 141 2HB GLU 17 HB2 GLU 17 -12.878 -9.173 2.994 142 1HG GLU 17 HG1 GLU 17 -10.908 -8.073 1.033 143 2HG GLU 17 HG2 GLU 17 -11.367 -9.775 1.000 144 H GLY 18 HN GLY 18 -12.374 -5.083 2.364 145 1HA GLY 18 HA1 GLY 18 -14.841 -4.952 1.516 146 2HA GLY 18 HA2 GLY 18 -15.179 -5.119 3.231 147 H ALA 19 HN ALA 19 -12.444 -3.479 3.360 148 HA ALA 19 HA ALA 19 -13.756 -0.985 3.855 149 1HB ALA 19 HB1 ALA 19 -11.087 -2.113 4.283 150 2HB ALA 19 HB2 ALA 19 -12.043 -1.033 5.299 151 3HB ALA 19 HB3 ALA 19 -11.109 -0.381 3.952 152 H LYS 20 HN LYS 20 -14.437 0.214 2.209 153 HA LYS 20 HA LYS 20 -12.915 0.332 -0.266 154 1HB LYS 20 HB1 LYS 20 -14.859 0.803 -1.274 155 2HB LYS 20 HB2 LYS 20 -15.595 0.324 0.248 156 1HG LYS 20 HG1 LYS 20 -14.750 3.140 -0.041 157 2HG LYS 20 HG2 LYS 20 -16.182 2.604 -0.921 158 1HD LYS 20 HD1 LYS 20 -15.828 2.007 1.995 159 2HD LYS 20 HD2 LYS 20 -16.498 3.548 1.453 160 1HE LYS 20 HE2 LYS 20 -18.001 1.880 -0.006 161 2HE LYS 20 HE1 LYS 20 -17.662 0.830 1.369 162 1HZ LYS 20 HZ1 LYS 20 -18.556 3.570 1.896 163 2HZ LYS 20 HZ2 LYS 20 -18.822 2.161 2.791 164 3HZ LYS 20 HZ3 LYS 20 -19.704 2.442 1.375 165 H THR 21 HN THR 21 -13.995 2.453 2.333 166 HA THR 21 HA THR 21 -11.735 4.206 1.786 167 HB THR 21 HB THR 21 -13.380 6.198 2.165 168 HG1 THR 21 HG1 THR 21 -15.434 5.796 1.329 169 1HG2 THR 21 HG21 THR 21 -13.679 6.533 -0.165 170 2HG2 THR 21 HG22 THR 21 -13.478 4.812 -0.495 171 3HG2 THR 21 HG23 THR 21 -12.109 5.766 0.079 172 H ARG 22 HN ARG 22 -10.695 4.272 3.640 173 HA ARG 22 HA ARG 22 -12.120 3.989 6.160 174 1HB ARG 22 HB1 ARG 22 -9.727 3.029 5.343 175 2HB ARG 22 HB2 ARG 22 -9.202 4.497 6.155 176 1HG ARG 22 HG2 ARG 22 -9.097 2.866 7.807 177 2HG ARG 22 HG1 ARG 22 -10.624 3.691 8.126 178 1HD ARG 22 HD1 ARG 22 -11.089 1.570 6.278 179 2HD ARG 22 HD2 ARG 22 -10.184 0.938 7.653 180 HE ARG 22 HE ARG 22 -12.780 2.321 7.844 181 1HH1 ARG 22 HH12 ARG 22 -10.417 0.064 9.057 182 2HH1 ARG 22 HH11 ARG 22 -11.422 -0.485 10.357 183 1HH2 ARG 22 HH21 ARG 22 -14.107 1.603 9.551 184 2HH2 ARG 22 HH22 ARG 22 -13.519 0.390 10.638 185 H LYS 23 HN LYS 23 -10.432 5.480 7.839 186 HA LYS 23 HA LYS 23 -10.502 8.225 6.894 187 1HB LYS 23 HB1 LYS 23 -12.771 7.921 7.720 188 2HB LYS 23 HB2 LYS 23 -12.161 7.280 9.240 189 1HG LYS 23 HG2 LYS 23 -10.975 9.569 9.452 190 2HG LYS 23 HG1 LYS 23 -12.140 10.092 8.234 191 1HD LYS 23 HD1 LYS 23 -13.277 8.573 10.480 192 2HD LYS 23 HD2 LYS 23 -12.594 10.143 10.906 193 1HE LYS 23 HE1 LYS 23 -14.142 11.301 9.700 194 2HE LYS 23 HE2 LYS 23 -14.343 10.011 8.515 195 1HZ LYS 23 HZ1 LYS 23 -15.372 8.796 10.585 196 2HZ LYS 23 HZ2 LYS 23 -16.300 9.842 9.632 197 3HZ LYS 23 HZ3 LYS 23 -15.659 10.380 11.102 198 H CYS 24 HN CYS 24 -9.176 9.595 8.021 199 HA CYS 24 HA CYS 24 -7.336 8.296 9.885 200 1HB CYS 24 HB2 CYS 24 -6.801 9.821 7.688 201 2HB CYS 24 HB1 CYS 24 -6.732 11.033 8.963 202 HG CYS 24 HG CYS 24 -5.012 8.568 9.507 203 H VAL 25 HN VAL 25 -7.729 8.584 11.945 204 HA VAL 25 HA VAL 25 -9.525 10.529 12.958 205 HB VAL 25 HB VAL 25 -9.579 9.018 14.576 206 1HG1 VAL 25 HG21 VAL 25 -8.234 7.114 14.667 207 2HG1 VAL 25 HG22 VAL 25 -6.834 7.958 14.004 208 3HG1 VAL 25 HG23 VAL 25 -8.211 7.580 12.965 209 1HG2 VAL 25 HG11 VAL 25 -8.192 10.848 15.631 210 2HG2 VAL 25 HG12 VAL 25 -6.801 9.787 15.408 211 3HG2 VAL 25 HG13 VAL 25 -8.150 9.272 16.421 212 H CYS 26 HN CYS 26 -6.165 10.552 12.265 213 HA CYS 26 HA CYS 26 -5.389 12.666 14.000 214 1HB CYS 26 HB2 CYS 26 -3.746 11.153 12.978 215 2HB CYS 26 HB1 CYS 26 -4.173 11.756 11.380 216 HG CYS 26 HG CYS 26 -2.930 13.721 13.429 217 H GLY 27 HN GLY 27 -7.030 12.509 10.956 218 1HA GLY 27 HA1 GLY 27 -8.373 14.635 10.621 219 2HA GLY 27 HA2 GLY 27 -6.811 15.438 10.671 220 H ARG 28 HN ARG 28 -8.290 12.665 8.976 221 HA ARG 28 HA ARG 28 -8.027 13.809 6.407 222 1HB ARG 28 HB2 ARG 28 -5.715 12.365 7.459 223 2HB ARG 28 HB1 ARG 28 -6.297 11.702 5.937 224 1HG ARG 28 HG2 ARG 28 -5.816 14.635 6.275 225 2HG ARG 28 HG1 ARG 28 -4.503 13.527 5.865 226 1HD ARG 28 HD2 ARG 28 -5.147 13.449 3.739 227 2HD ARG 28 HD1 ARG 28 -6.797 13.034 4.201 228 HE ARG 28 HE ARG 28 -6.348 15.791 4.602 229 1HH1 ARG 28 HH12 ARG 28 -6.795 13.449 2.060 230 2HH1 ARG 28 HH11 ARG 28 -7.471 14.594 0.949 231 1HH2 ARG 28 HH22 ARG 28 -7.237 17.304 3.147 232 2HH2 ARG 28 HH21 ARG 28 -7.722 16.785 1.568 233 H THR 29 HN THR 29 -7.716 11.550 4.845 234 HA THR 29 HA THR 29 -9.632 9.574 5.818 235 HB THR 29 HB THR 29 -9.966 11.094 3.223 236 HG1 THR 29 HG1 THR 29 -11.466 12.187 4.221 237 1HG2 THR 29 HG21 THR 29 -11.018 8.531 4.062 238 2HG2 THR 29 HG22 THR 29 -11.055 9.313 2.481 239 3HG2 THR 29 HG23 THR 29 -12.287 9.696 3.684 240 H VAL 30 HN VAL 30 -9.192 7.538 5.116 241 HA VAL 30 HA VAL 30 -6.831 7.230 3.421 242 HB VAL 30 HB VAL 30 -8.242 5.065 4.972 243 1HG1 VAL 30 HG21 VAL 30 -5.989 3.999 4.840 244 2HG1 VAL 30 HG22 VAL 30 -5.498 5.293 3.747 245 3HG1 VAL 30 HG23 VAL 30 -6.793 4.188 3.282 246 1HG2 VAL 30 HG11 VAL 30 -6.268 5.455 6.577 247 2HG2 VAL 30 HG12 VAL 30 -7.643 6.557 6.655 248 3HG2 VAL 30 HG13 VAL 30 -6.167 7.047 5.825 249 H ASN 31 HN ASN 31 -7.103 6.878 1.340 250 HA ASN 31 HA ASN 31 -9.590 5.635 0.398 251 1HB ASN 31 HB2 ASN 31 -8.467 7.901 -0.488 252 2HB ASN 31 HB1 ASN 31 -7.627 6.759 -1.533 253 1HD2 ASN 31 HD22 ASN 31 -9.729 8.837 -2.011 254 2HD2 ASN 31 HD21 ASN 31 -10.972 8.005 -2.876 255 H VAL 32 HN VAL 32 -9.512 3.502 0.041 256 HA VAL 32 HA VAL 32 -7.074 2.061 -0.194 257 HB VAL 32 HB VAL 32 -8.316 0.111 -0.360 258 1HG1 VAL 32 HG11 VAL 32 -9.414 0.243 1.580 259 2HG1 VAL 32 HG12 VAL 32 -10.543 1.451 0.966 260 3HG1 VAL 32 HG13 VAL 32 -8.959 1.947 1.562 261 1HG2 VAL 32 HG21 VAL 32 -10.569 -0.099 -1.164 262 2HG2 VAL 32 HG22 VAL 32 -9.607 0.760 -2.371 263 3HG2 VAL 32 HG23 VAL 32 -10.716 1.653 -1.329 264 H LYS 33 HN LYS 33 -7.357 0.286 -2.257 265 HA LYS 33 HA LYS 33 -6.263 1.658 -4.422 266 1HB LYS 33 HB2 LYS 33 -6.450 -0.944 -3.759 267 2HB LYS 33 HB1 LYS 33 -7.688 -0.876 -5.006 268 1HG LYS 33 HG1 LYS 33 -6.091 -0.059 -6.613 269 2HG LYS 33 HG2 LYS 33 -4.842 0.032 -5.369 270 1HD LYS 33 HD2 LYS 33 -4.277 -1.998 -6.186 271 2HD LYS 33 HD1 LYS 33 -5.563 -2.545 -5.108 272 1HE LYS 33 HE2 LYS 33 -5.741 -3.509 -7.372 273 2HE LYS 33 HE1 LYS 33 -7.147 -2.543 -6.929 274 1HZ LYS 33 HZ1 LYS 33 -4.905 -1.425 -8.502 275 2HZ LYS 33 HZ2 LYS 33 -6.468 -0.803 -8.319 276 3HZ LYS 33 HZ3 LYS 33 -6.216 -2.202 -9.234 277 H ASP 34 HN ASP 34 -7.327 1.172 -6.752 278 HA ASP 34 HA ASP 34 -9.768 2.751 -6.744 279 1HB ASP 34 HB1 ASP 34 -9.340 2.407 -9.351 280 2HB ASP 34 HB2 ASP 34 -8.436 3.593 -8.415 281 H ARG 35 HN ARG 35 -8.643 -0.398 -7.917 282 HA ARG 35 HA ARG 35 -11.332 -1.174 -8.674 283 1HB ARG 35 HB2 ARG 35 -8.730 -2.716 -8.688 284 2HB ARG 35 HB1 ARG 35 -10.261 -3.332 -9.295 285 1HG ARG 35 HG2 ARG 35 -9.547 -0.758 -10.445 286 2HG ARG 35 HG1 ARG 35 -8.349 -2.015 -10.760 287 1HD ARG 35 HD2 ARG 35 -10.444 -3.452 -11.366 288 2HD ARG 35 HD1 ARG 35 -11.219 -1.880 -11.570 289 HE ARG 35 HE ARG 35 -9.267 -3.085 -13.296 290 1HH1 ARG 35 HH12 ARG 35 -10.646 -0.072 -12.215 291 2HH1 ARG 35 HH11 ARG 35 -10.212 0.790 -13.653 292 1HH2 ARG 35 HH22 ARG 35 -8.691 -1.956 -15.191 293 2HH2 ARG 35 HH21 ARG 35 -9.101 -0.281 -15.344 294 H ARG 36 HN ARG 36 -9.495 -3.705 -7.296 295 HA ARG 36 HA ARG 36 -11.477 -4.124 -5.258 296 1HB ARG 36 HB2 ARG 36 -8.909 -5.665 -5.427 297 2HB ARG 36 HB1 ARG 36 -10.499 -6.216 -4.917 298 1HG ARG 36 HG2 ARG 36 -11.292 -6.196 -7.184 299 2HG ARG 36 HG1 ARG 36 -9.780 -5.479 -7.745 300 1HD ARG 36 HD1 ARG 36 -10.026 -7.968 -8.100 301 2HD ARG 36 HD2 ARG 36 -8.559 -7.442 -7.274 302 HE ARG 36 HE ARG 36 -9.438 -8.292 -5.243 303 1HH1 ARG 36 HH11 ARG 36 -11.434 -8.966 -8.020 304 2HH1 ARG 36 HH12 ARG 36 -12.309 -10.242 -7.242 305 1HH2 ARG 36 HH21 ARG 36 -10.585 -9.971 -4.212 306 2HH2 ARG 36 HH22 ARG 36 -11.826 -10.813 -5.078 307 H ILE 37 HN ILE 37 -8.136 -4.741 -4.503 308 HA ILE 37 HA ILE 37 -7.879 -2.472 -2.717 309 HB ILE 37 HB ILE 37 -8.803 -5.055 -1.769 310 1HG1 ILE 37 HG12 ILE 37 -9.655 -2.692 -1.287 311 2HG1 ILE 37 HG11 ILE 37 -9.556 -3.798 0.077 312 1HG2 ILE 37 HG21 ILE 37 -6.422 -3.961 -0.285 313 2HG2 ILE 37 HG22 ILE 37 -6.345 -5.341 -1.380 314 3HG2 ILE 37 HG23 ILE 37 -7.345 -5.423 0.070 315 1HD1 ILE 37 HD11 ILE 37 -7.934 -1.387 -0.531 316 2HD1 ILE 37 HD12 ILE 37 -7.211 -2.690 0.412 317 3HD1 ILE 37 HD13 ILE 37 -8.680 -1.899 0.984 318 H PHE 38 HN PHE 38 -5.746 -2.256 -1.859 319 HA PHE 38 HA PHE 38 -3.740 -3.596 -3.500 320 1HB PHE 38 HB1 PHE 38 -3.953 -1.003 -2.874 321 2HB PHE 38 HB2 PHE 38 -2.976 -1.523 -1.505 322 HD1 PHE 38 HD1 PHE 38 -0.733 -2.443 -1.857 323 HD2 PHE 38 HD2 PHE 38 -3.046 -0.899 -5.078 324 HE1 PHE 38 HE1 PHE 38 1.293 -2.324 -3.248 325 HE2 PHE 38 HE2 PHE 38 -1.024 -0.779 -6.476 326 HZ PHE 38 HZ PHE 38 1.148 -1.492 -5.560 327 H GLY 39 HN GLY 39 -1.913 -4.632 -2.593 328 1HA GLY 39 HA1 GLY 39 -0.998 -6.223 -1.204 329 2HA GLY 39 HA2 GLY 39 -1.218 -4.983 0.019 330 H ARG 40 HN ARG 40 -2.502 -7.916 -1.365 331 HA ARG 40 HA ARG 40 -4.654 -8.012 0.605 332 1HB ARG 40 HB1 ARG 40 -4.640 -8.844 -1.947 333 2HB ARG 40 HB2 ARG 40 -4.112 -10.329 -1.170 334 1HG ARG 40 HG1 ARG 40 -6.540 -8.869 -0.212 335 2HG ARG 40 HG2 ARG 40 -6.618 -9.987 -1.576 336 1HD ARG 40 HD2 ARG 40 -5.227 -11.436 0.276 337 2HD ARG 40 HD1 ARG 40 -6.346 -10.524 1.289 338 HE ARG 40 HE ARG 40 -8.081 -11.449 -0.385 339 1HH1 ARG 40 HH12 ARG 40 -5.237 -13.124 0.734 340 2HH1 ARG 40 HH11 ARG 40 -5.934 -14.698 0.547 341 1HH2 ARG 40 HH21 ARG 40 -9.005 -13.519 -0.634 342 2HH2 ARG 40 HH22 ARG 40 -8.076 -14.923 -0.230 343 H ALA 41 HN ALA 41 -3.543 -8.251 2.523 344 HA ALA 41 HA ALA 41 -1.710 -10.514 2.789 345 1HB ALA 41 HB1 ALA 41 -2.282 -8.144 4.549 346 2HB ALA 41 HB2 ALA 41 -0.806 -8.508 3.652 347 3HB ALA 41 HB3 ALA 41 -1.257 -9.495 5.045 348 H ASP 42 HN ASP 42 -2.554 -12.394 3.381 349 HA ASP 42 HA ASP 42 -5.056 -12.524 4.829 350 1HB ASP 42 HB2 ASP 42 -4.765 -14.181 3.131 351 2HB ASP 42 HB1 ASP 42 -3.181 -14.634 3.751 352 H ASP 43 HN ASP 43 -1.639 -12.955 5.430 353 HA ASP 43 HA ASP 43 -2.094 -13.923 8.138 354 1HB ASP 43 HB1 ASP 43 0.255 -13.688 6.329 355 2HB ASP 43 HB2 ASP 43 0.565 -13.595 8.060 356 H PHE 44 HN PHE 44 -2.010 -12.694 9.925 357 HA PHE 44 HA PHE 44 -2.148 -9.909 9.816 358 1HB PHE 44 HB1 PHE 44 -3.031 -11.158 11.707 359 2HB PHE 44 HB2 PHE 44 -1.414 -11.703 12.139 360 HD1 PHE 44 HD1 PHE 44 -0.070 -10.442 13.566 361 HD2 PHE 44 HD2 PHE 44 -3.529 -8.674 11.828 362 HE1 PHE 44 HE1 PHE 44 0.208 -8.477 15.020 363 HE2 PHE 44 HE2 PHE 44 -3.258 -6.706 13.280 364 HZ PHE 44 HZ PHE 44 -1.387 -6.607 14.879 365 H GLU 45 HN GLU 45 0.587 -12.062 10.213 366 HA GLU 45 HA GLU 45 2.476 -10.114 11.019 367 1HB GLU 45 HB1 GLU 45 2.471 -12.916 10.346 368 2HB GLU 45 HB2 GLU 45 3.834 -12.118 9.572 369 1HG GLU 45 HG2 GLU 45 4.843 -12.565 11.526 370 2HG GLU 45 HG1 GLU 45 4.045 -11.077 12.033 371 H GLU 46 HN GLU 46 1.683 -11.499 7.842 372 HA GLU 46 HA GLU 46 3.559 -9.929 6.403 373 1HB GLU 46 HB2 GLU 46 2.597 -12.046 5.549 374 2HB GLU 46 HB1 GLU 46 1.030 -11.260 5.410 375 1HG GLU 46 HG2 GLU 46 1.771 -11.093 3.264 376 2HG GLU 46 HG1 GLU 46 2.357 -9.566 3.919 377 H ALA 47 HN ALA 47 0.407 -9.324 7.648 378 HA ALA 47 HA ALA 47 -0.496 -7.311 5.926 379 1HB ALA 47 HB1 ALA 47 -1.972 -8.310 7.543 380 2HB ALA 47 HB2 ALA 47 -1.880 -6.575 7.848 381 3HB ALA 47 HB3 ALA 47 -0.990 -7.699 8.876 382 H SER 48 HN SER 48 1.203 -6.968 9.043 383 HA SER 48 HA SER 48 1.508 -4.192 8.945 384 1HB SER 48 HB2 SER 48 3.583 -5.908 10.262 385 2HB SER 48 HB1 SER 48 2.843 -4.414 10.833 386 HG SER 48 HG SER 48 1.502 -6.904 10.605 387 H GLU 49 HN GLU 49 3.592 -6.773 7.726 388 HA GLU 49 HA GLU 49 5.765 -5.087 7.035 389 1HB GLU 49 HB2 GLU 49 5.030 -7.899 6.683 390 2HB GLU 49 HB1 GLU 49 5.966 -7.253 5.341 391 1HG GLU 49 HG1 GLU 49 6.949 -6.656 8.064 392 2HG GLU 49 HG2 GLU 49 7.076 -8.326 7.512 393 H LEU 50 HN LEU 50 2.894 -6.155 5.315 394 HA LEU 50 HA LEU 50 3.687 -5.254 2.746 395 1HB LEU 50 HB1 LEU 50 1.333 -6.399 3.979 396 2HB LEU 50 HB2 LEU 50 0.893 -5.115 2.871 397 HG LEU 50 HG LEU 50 2.561 -7.538 2.180 398 1HD1 LEU 50 HD11 LEU 50 -0.322 -6.942 2.061 399 2HD1 LEU 50 HD12 LEU 50 0.517 -8.488 2.182 400 3HD1 LEU 50 HD13 LEU 50 0.376 -7.682 0.620 401 1HD2 LEU 50 HD21 LEU 50 2.026 -5.007 0.797 402 2HD2 LEU 50 HD22 LEU 50 1.753 -6.457 -0.171 403 3HD2 LEU 50 HD23 LEU 50 3.328 -6.174 0.571 404 H VAL 51 HN VAL 51 1.857 -3.785 5.379 405 HA VAL 51 HA VAL 51 1.123 -1.418 4.059 406 HB VAL 51 HB VAL 51 1.554 -1.959 6.996 407 1HG1 VAL 51 HG21 VAL 51 1.124 0.167 7.478 408 2HG1 VAL 51 HG22 VAL 51 -0.274 0.190 6.403 409 3HG1 VAL 51 HG23 VAL 51 1.335 0.530 5.765 410 1HG2 VAL 51 HG11 VAL 51 -1.009 -1.770 5.424 411 2HG2 VAL 51 HG12 VAL 51 -0.825 -2.233 7.115 412 3HG2 VAL 51 HG13 VAL 51 -0.206 -3.284 5.840 413 H ARG 52 HN ARG 52 3.912 -2.155 6.150 414 HA ARG 52 HA ARG 52 5.027 0.424 6.126 415 1HB ARG 52 HB1 ARG 52 5.777 -2.194 7.061 416 2HB ARG 52 HB2 ARG 52 7.155 -1.427 6.284 417 1HG ARG 52 HG1 ARG 52 7.516 -0.423 8.232 418 2HG ARG 52 HG2 ARG 52 6.117 0.583 7.854 419 1HD ARG 52 HD1 ARG 52 4.664 -0.808 9.104 420 2HD ARG 52 HD2 ARG 52 5.886 -2.070 9.250 421 HE ARG 52 HE ARG 52 7.118 -0.528 10.716 422 1HH1 ARG 52 HH11 ARG 52 3.723 0.035 10.173 423 2HH1 ARG 52 HH12 ARG 52 3.501 0.913 11.651 424 1HH2 ARG 52 HH21 ARG 52 6.835 0.626 12.661 425 2HH2 ARG 52 HH22 ARG 52 5.269 1.249 13.064 426 H LYS 53 HN LYS 53 5.502 -2.355 3.987 427 HA LYS 53 HA LYS 53 7.499 -1.126 2.374 428 1HB LYS 53 HB2 LYS 53 6.139 -3.631 2.463 429 2HB LYS 53 HB1 LYS 53 5.960 -2.981 0.840 430 1HG LYS 53 HG2 LYS 53 8.515 -2.575 0.988 431 2HG LYS 53 HG1 LYS 53 8.447 -3.750 2.304 432 1HD LYS 53 HD2 LYS 53 7.931 -5.482 0.916 433 2HD LYS 53 HD1 LYS 53 7.068 -4.450 -0.227 434 1HE LYS 53 HE2 LYS 53 9.273 -5.454 -1.009 435 2HE LYS 53 HE1 LYS 53 9.051 -3.721 -1.241 436 1HZ LYS 53 HZ1 LYS 53 10.286 -4.501 1.265 437 2HZ LYS 53 HZ2 LYS 53 10.671 -3.230 0.216 438 3HZ LYS 53 HZ3 LYS 53 11.211 -4.798 -0.120 439 H LEU 54 HN LEU 54 4.019 -1.137 2.451 440 HA LEU 54 HA LEU 54 3.564 0.047 -0.094 441 1HB LEU 54 HB1 LEU 54 2.013 -0.836 2.145 442 2HB LEU 54 HB2 LEU 54 1.510 0.788 1.721 443 HG LEU 54 HG LEU 54 0.147 -0.933 0.616 444 1HD1 LEU 54 HD11 LEU 54 1.840 0.879 -1.065 445 2HD1 LEU 54 HD12 LEU 54 0.173 1.096 -0.534 446 3HD1 LEU 54 HD13 LEU 54 0.556 -0.105 -1.768 447 1HD2 LEU 54 HD21 LEU 54 1.345 -2.795 0.148 448 2HD2 LEU 54 HD22 LEU 54 2.812 -1.893 -0.235 449 3HD2 LEU 54 HD23 LEU 54 1.505 -1.996 -1.416 450 H GLN 55 HN GLN 55 4.588 1.240 2.968 451 HA GLN 55 HA GLN 55 3.734 3.922 2.722 452 1HB GLN 55 HB1 GLN 55 6.006 2.707 4.296 453 2HB GLN 55 HB2 GLN 55 5.496 4.383 4.442 454 1HG GLN 55 HG1 GLN 55 3.303 3.671 5.203 455 2HG GLN 55 HG2 GLN 55 3.774 1.983 5.013 456 1HE2 GLN 55 HE22 GLN 55 3.129 1.896 7.288 457 2HE2 GLN 55 HE21 GLN 55 4.295 2.306 8.495 458 H GLU 56 HN GLU 56 5.495 5.727 2.766 459 HA GLU 56 HA GLU 56 6.767 5.674 0.203 460 1HB GLU 56 HB2 GLU 56 7.620 7.977 1.146 461 2HB GLU 56 HB1 GLU 56 5.951 7.779 0.643 462 1HG GLU 56 HG2 GLU 56 5.203 8.236 2.676 463 2HG GLU 56 HG1 GLU 56 6.295 7.065 3.413 464 H GLU 57 HN GLU 57 8.365 4.078 0.357 465 HA GLU 57 HA GLU 57 10.370 4.156 2.402 466 1HB GLU 57 HB2 GLU 57 11.464 2.383 1.075 467 2HB GLU 57 HB1 GLU 57 9.768 2.036 1.385 468 1HG GLU 57 HG2 GLU 57 10.304 3.454 -1.127 469 2HG GLU 57 HG1 GLU 57 10.970 1.825 -1.027 470 H LYS 58 HN LYS 58 12.463 4.881 2.285 471 HA LYS 58 HA LYS 58 12.974 6.979 0.402 472 1HB LYS 58 HB2 LYS 58 13.647 6.854 2.904 473 2HB LYS 58 HB1 LYS 58 15.005 5.897 2.328 474 1HG LYS 58 HG1 LYS 58 16.102 7.771 1.925 475 2HG LYS 58 HG2 LYS 58 14.907 8.171 0.690 476 1HD LYS 58 HD2 LYS 58 14.087 8.717 3.465 477 2HD LYS 58 HD1 LYS 58 15.422 9.703 2.861 478 1HE LYS 58 HE1 LYS 58 13.932 10.991 1.835 479 2HE LYS 58 HE2 LYS 58 13.535 9.625 0.794 480 1HZ LYS 58 HZ1 LYS 58 12.155 10.560 3.222 481 2HZ LYS 58 HZ2 LYS 58 12.010 8.946 2.735 482 3HZ LYS 58 HZ3 LYS 58 11.509 10.191 1.704 483 H TYR 59 HN TYR 59 13.819 6.689 -1.539 484 HA TYR 59 HA TYR 59 15.242 4.225 -2.155 485 1HB TYR 59 HB2 TYR 59 13.662 6.155 -3.647 486 2HB TYR 59 HB1 TYR 59 15.180 5.791 -4.461 487 HD1 TYR 59 HD1 TYR 59 15.668 3.504 -5.218 488 HD2 TYR 59 HD2 TYR 59 11.930 4.498 -3.444 489 HE1 TYR 59 HE1 TYR 59 14.708 1.413 -6.083 490 HE2 TYR 59 HE2 TYR 59 10.960 2.408 -4.304 491 HH TYR 59 HH TYR 59 12.396 0.553 -6.673 492 H GLY 60 HN GLY 60 15.839 7.621 -1.707 493 1HA GLY 60 HA2 GLY 60 17.800 8.808 -1.565 494 2HA GLY 60 HA1 GLY 60 18.630 7.263 -1.447 495 H SER 61 HN SER 61 16.875 9.122 -3.937 496 HA SER 61 HA SER 61 18.715 8.148 -5.962 497 1HB SER 61 HB2 SER 61 16.132 8.451 -6.194 498 2HB SER 61 HB1 SER 61 16.534 10.142 -6.492 499 HG SER 61 HG SER 61 16.437 8.470 -8.322 500 H CYS 62 HN CYS 62 18.387 10.852 -3.928 501 HA CYS 62 HA CYS 62 20.629 12.148 -5.240 502 1HB CYS 62 HB1 CYS 62 19.562 14.319 -5.414 503 2HB CYS 62 HB2 CYS 62 18.622 13.138 -6.319 504 HG CYS 62 HG CYS 62 17.532 13.615 -3.520 505 H HIS 63 HN HIS 63 21.105 14.294 -3.918 506 HA HIS 63 HA HIS 63 21.534 13.419 -1.210 507 1HB HIS 63 HB2 HIS 63 22.548 15.543 -2.971 508 2HB HIS 63 HB1 HIS 63 22.392 16.026 -1.285 509 HD2 HIS 63 HD2 HIS 63 25.182 15.084 -3.212 510 HE1 HIS 63 HE1 HIS 63 25.593 12.594 0.187 511 HE2 HIS 63 HE2 HIS 63 26.775 13.564 -1.837 512 H PHE 64 HN PHE 64 21.366 15.522 0.396 513 HA PHE 64 HA PHE 64 18.566 15.780 0.863 514 1HB PHE 64 HB1 PHE 64 21.056 16.746 2.205 515 2HB PHE 64 HB2 PHE 64 19.528 17.518 2.620 516 HD1 PHE 64 HD1 PHE 64 17.802 16.311 3.801 517 HD2 PHE 64 HD2 PHE 64 21.489 14.443 2.790 518 HE1 PHE 64 HE1 PHE 64 17.300 14.483 5.370 519 HE2 PHE 64 HE2 PHE 64 20.995 12.610 4.356 520 HZ PHE 64 HZ PHE 64 18.898 12.628 5.648 521 H THR 65 HN THR 65 21.085 18.227 0.227 522 HA THR 65 HA THR 65 18.997 20.104 -0.597 523 HB THR 65 HB THR 65 21.834 20.955 -0.584 524 HG1 THR 65 HG1 THR 65 22.204 20.340 1.370 525 1HG2 THR 65 HG21 THR 65 19.316 22.197 -0.413 526 2HG2 THR 65 HG22 THR 65 20.912 22.946 -0.402 527 3HG2 THR 65 HG23 THR 65 20.147 22.479 1.116 528 H ASN 66 HN ASN 66 18.436 19.497 -2.645 529 HA ASN 66 HA ASN 66 20.288 18.739 -4.655 530 1HB ASN 66 HB1 ASN 66 18.133 19.534 -6.089 531 2HB ASN 66 HB2 ASN 66 18.265 17.961 -5.304 532 1HD2 ASN 66 HD21 ASN 66 16.513 17.412 -4.256 533 2HD2 ASN 66 HD22 ASN 66 15.439 18.478 -3.422 534 HA PRO 67 HA PRO 67 21.721 22.941 -5.415 535 1HB PRO 67 HB2 PRO 67 23.363 21.638 -7.479 536 2HB PRO 67 HB1 PRO 67 23.868 22.584 -6.077 537 1HG PRO 67 HG2 PRO 67 24.235 19.927 -6.188 538 2HG PRO 67 HG1 PRO 67 23.852 20.755 -4.667 539 1HD PRO 67 HD2 PRO 67 22.051 19.185 -6.478 540 2HD PRO 67 HD1 PRO 67 22.140 19.187 -4.703 541 H SER 68 HN SER 68 21.045 20.640 -8.047 542 HA SER 68 HA SER 68 20.485 22.765 -9.910 543 1HB SER 68 HB2 SER 68 20.730 19.821 -10.023 544 2HB SER 68 HB1 SER 68 19.601 20.533 -11.176 545 HG SER 68 HG SER 68 21.218 21.366 -12.240 546 H LYS 69 HN LYS 69 18.651 20.570 -7.892 547 HA LYS 69 HA LYS 69 16.132 21.360 -9.104 548 1HB LYS 69 HB1 LYS 69 17.039 19.278 -7.218 549 2HB LYS 69 HB2 LYS 69 15.429 19.914 -6.910 550 1HG LYS 69 HG2 LYS 69 14.587 19.127 -8.910 551 2HG LYS 69 HG1 LYS 69 16.179 19.045 -9.666 552 1HD LYS 69 HD2 LYS 69 16.726 17.059 -8.606 553 2HD LYS 69 HD1 LYS 69 15.546 17.307 -7.317 554 1HE LYS 69 HE2 LYS 69 14.299 15.837 -8.460 555 2HE LYS 69 HE1 LYS 69 13.938 17.210 -9.506 556 1HZ LYS 69 HZ1 LYS 69 14.642 15.254 -10.760 557 2HZ LYS 69 HZ2 LYS 69 16.128 15.254 -9.952 558 3HZ LYS 69 HZ3 LYS 69 15.719 16.541 -10.970 559 H ARG 70 HN ARG 70 14.312 21.864 -7.452 560 HA ARG 70 HA ARG 70 15.115 24.271 -6.073 561 1HB ARG 70 HB2 ARG 70 12.424 22.960 -6.483 562 2HB ARG 70 HB1 ARG 70 12.648 24.472 -5.615 563 1HG ARG 70 HG2 ARG 70 12.820 25.653 -7.496 564 2HG ARG 70 HG1 ARG 70 13.895 24.472 -8.246 565 1HD ARG 70 HD1 ARG 70 11.126 23.565 -7.954 566 2HD ARG 70 HD2 ARG 70 11.321 24.965 -9.009 567 HE ARG 70 HE ARG 70 13.214 22.932 -9.618 568 1HH1 ARG 70 HH12 ARG 70 9.872 23.833 -10.024 569 2HH1 ARG 70 HH11 ARG 70 9.673 22.931 -11.489 570 1HH2 ARG 70 HH21 ARG 70 12.961 21.742 -11.546 571 2HH2 ARG 70 HH22 ARG 70 11.429 21.742 -12.354 572 H GLU 71 HN GLU 71 14.848 24.706 -3.875 573 HA GLU 71 HA GLU 71 15.061 22.356 -2.170 574 1HB GLU 71 HB1 GLU 71 16.543 24.529 -2.128 575 2HB GLU 71 HB2 GLU 71 15.232 25.163 -1.142 576 1HG GLU 71 HG2 GLU 71 16.396 22.523 -0.428 577 2HG GLU 71 HG1 GLU 71 17.318 23.982 -0.067 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -10.640 -11.121 5.769 2 2H MET 1 HT2 MET 1 -10.309 -12.490 6.749 3 3H MET 1 HT3 MET 1 -10.412 -12.660 5.045 4 HA MET 1 HA MET 1 -8.173 -12.314 6.490 5 1HB MET 1 HB1 MET 1 -9.003 -12.112 3.630 6 2HB MET 1 HB2 MET 1 -7.357 -11.654 4.045 7 1HG MET 1 HG1 MET 1 -7.044 -13.852 3.567 8 2HG MET 1 HG2 MET 1 -7.381 -13.967 5.294 9 1HE MET 1 HE1 MET 1 -7.700 -16.682 3.887 10 2HE MET 1 HE2 MET 1 -9.281 -17.135 4.522 11 3HE MET 1 HE3 MET 1 -8.132 -16.277 5.548 12 H TYR 2 HN TYR 2 -6.477 -10.572 5.377 13 HA TYR 2 HA TYR 2 -7.522 -7.966 6.252 14 1HB TYR 2 HB2 TYR 2 -4.923 -9.339 6.583 15 2HB TYR 2 HB1 TYR 2 -4.834 -7.614 6.247 16 HD1 TYR 2 HD1 TYR 2 -6.065 -10.145 8.623 17 HD2 TYR 2 HD2 TYR 2 -5.482 -5.997 7.885 18 HE1 TYR 2 HE1 TYR 2 -6.520 -9.667 10.991 19 HE2 TYR 2 HE2 TYR 2 -5.936 -5.505 10.252 20 HH TYR 2 HH TYR 2 -6.892 -6.408 12.169 21 H ILE 3 HN ILE 3 -6.880 -6.076 5.130 22 HA ILE 3 HA ILE 3 -5.952 -6.497 2.371 23 HB ILE 3 HB ILE 3 -7.507 -4.590 1.737 24 1HG1 ILE 3 HG12 ILE 3 -9.229 -5.378 4.037 25 2HG1 ILE 3 HG11 ILE 3 -7.910 -4.253 4.355 26 1HG2 ILE 3 HG21 ILE 3 -7.832 -7.156 1.421 27 2HG2 ILE 3 HG22 ILE 3 -9.164 -6.047 1.092 28 3HG2 ILE 3 HG23 ILE 3 -9.117 -6.943 2.611 29 1HD1 ILE 3 HD11 ILE 3 -8.822 -2.607 3.031 30 2HD1 ILE 3 HD12 ILE 3 -10.250 -3.346 3.759 31 3HD1 ILE 3 HD13 ILE 3 -9.796 -3.748 2.103 32 H ILE 4 HN ILE 4 -4.981 -4.572 1.392 33 HA ILE 4 HA ILE 4 -4.007 -2.655 3.408 34 HB ILE 4 HB ILE 4 -2.507 -4.109 1.263 35 1HG1 ILE 4 HG11 ILE 4 -0.796 -3.806 3.304 36 2HG1 ILE 4 HG12 ILE 4 -2.306 -3.622 4.192 37 1HG2 ILE 4 HG21 ILE 4 -0.663 -2.282 1.979 38 2HG2 ILE 4 HG22 ILE 4 -2.122 -1.286 2.022 39 3HG2 ILE 4 HG23 ILE 4 -1.679 -2.137 0.542 40 1HD1 ILE 4 HD11 ILE 4 -1.321 -5.940 4.086 41 2HD1 ILE 4 HD12 ILE 4 -1.785 -5.955 2.385 42 3HD1 ILE 4 HD13 ILE 4 -3.018 -5.784 3.635 43 H PHE 5 HN PHE 5 -3.714 -0.494 2.715 44 HA PHE 5 HA PHE 5 -4.694 0.226 0.061 45 1HB PHE 5 HB1 PHE 5 -6.051 2.062 1.545 46 2HB PHE 5 HB2 PHE 5 -6.755 0.592 0.892 47 HD1 PHE 5 HD1 PHE 5 -5.720 2.345 3.875 48 HD2 PHE 5 HD2 PHE 5 -7.132 -1.358 2.334 49 HE1 PHE 5 HE1 PHE 5 -6.329 1.639 6.146 50 HE2 PHE 5 HE2 PHE 5 -7.744 -2.073 4.607 51 HZ PHE 5 HZ PHE 5 -7.339 -0.570 6.514 52 H ARG 6 HN ARG 6 -5.001 3.004 0.604 53 HA ARG 6 HA ARG 6 -2.396 3.823 1.665 54 1HB ARG 6 HB2 ARG 6 -3.400 4.375 -1.127 55 2HB ARG 6 HB1 ARG 6 -2.131 5.328 -0.369 56 1HG ARG 6 HG2 ARG 6 -1.274 2.738 -0.002 57 2HG ARG 6 HG1 ARG 6 -2.007 2.704 -1.606 58 1HD ARG 6 HD2 ARG 6 0.048 3.406 -2.235 59 2HD ARG 6 HD1 ARG 6 -0.616 4.983 -1.811 60 HE ARG 6 HE ARG 6 0.484 4.006 0.508 61 1HH1 ARG 6 HH22 ARG 6 1.629 4.724 -2.705 62 2HH1 ARG 6 HH21 ARG 6 3.234 5.113 -2.184 63 1HH2 ARG 6 HH11 ARG 6 2.594 4.515 1.201 64 2HH2 ARG 6 HH12 ARG 6 3.783 4.994 0.036 65 H CYS 7 HN CYS 7 -2.457 5.683 2.778 66 HA CYS 7 HA CYS 7 -4.968 7.020 3.142 67 1HB CYS 7 HB2 CYS 7 -3.398 6.671 5.021 68 2HB CYS 7 HB1 CYS 7 -2.226 7.711 4.220 69 HG CYS 7 HG CYS 7 -4.938 8.812 5.277 70 H ASP 8 HN ASP 8 -5.221 9.371 2.889 71 HA ASP 8 HA ASP 8 -4.565 10.223 0.305 72 1HB ASP 8 HB1 ASP 8 -5.933 11.354 2.643 73 2HB ASP 8 HB2 ASP 8 -5.153 12.564 1.628 74 H CYS 9 HN CYS 9 -2.901 10.551 3.317 75 HA CYS 9 HA CYS 9 -1.121 12.645 2.505 76 1HB CYS 9 HB1 CYS 9 -1.648 12.058 4.890 77 2HB CYS 9 HB2 CYS 9 -0.723 10.575 4.676 78 HG CYS 9 HG CYS 9 1.078 12.020 5.560 79 H GLY 10 HN GLY 10 -1.536 9.715 1.257 80 1HA GLY 10 HA2 GLY 10 -0.200 8.611 -0.308 81 2HA GLY 10 HA1 GLY 10 1.180 9.554 0.239 82 H ARG 11 HN ARG 11 -0.596 8.245 2.781 83 HA ARG 11 HA ARG 11 1.579 6.453 3.449 84 1HB ARG 11 HB1 ARG 11 -0.966 6.755 5.020 85 2HB ARG 11 HB2 ARG 11 0.633 6.303 5.596 86 1HG ARG 11 HG1 ARG 11 1.169 8.758 4.650 87 2HG ARG 11 HG2 ARG 11 -0.523 8.967 5.107 88 1HD ARG 11 HD1 ARG 11 0.145 9.254 7.205 89 2HD ARG 11 HD2 ARG 11 0.654 7.565 7.220 90 HE ARG 11 HE ARG 11 2.632 9.264 6.068 91 1HH1 ARG 11 HH11 ARG 11 1.298 8.171 9.098 92 2HH1 ARG 11 HH12 ARG 11 2.758 8.450 9.987 93 1HH2 ARG 11 HH22 ARG 11 4.557 9.632 7.233 94 2HH2 ARG 11 HH21 ARG 11 4.610 9.279 8.928 95 H ALA 12 HN ALA 12 0.156 4.523 4.907 96 HA ALA 12 HA ALA 12 -1.668 3.148 3.148 97 1HB ALA 12 HB1 ALA 12 0.186 2.352 2.007 98 2HB ALA 12 HB2 ALA 12 -0.111 1.080 3.190 99 3HB ALA 12 HB3 ALA 12 1.170 2.259 3.468 100 H LEU 13 HN LEU 13 -2.700 1.340 4.181 101 HA LEU 13 HA LEU 13 -1.928 0.776 6.933 102 1HB LEU 13 HB1 LEU 13 -4.442 2.186 6.164 103 2HB LEU 13 HB2 LEU 13 -4.474 1.072 7.515 104 HG LEU 13 HG LEU 13 -2.339 3.140 7.513 105 1HD1 LEU 13 HD21 LEU 13 -4.998 3.933 8.576 106 2HD1 LEU 13 HD22 LEU 13 -4.698 4.109 6.846 107 3HD1 LEU 13 HD23 LEU 13 -3.660 4.932 8.010 108 1HD2 LEU 13 HD11 LEU 13 -2.121 2.214 9.521 109 2HD2 LEU 13 HD12 LEU 13 -3.644 1.341 9.358 110 3HD2 LEU 13 HD13 LEU 13 -3.638 2.998 9.963 111 H TYR 14 HN TYR 14 -3.890 -0.724 7.863 112 HA TYR 14 HA TYR 14 -4.598 -2.705 5.810 113 1HB TYR 14 HB2 TYR 14 -3.879 -4.525 7.360 114 2HB TYR 14 HB1 TYR 14 -2.546 -3.549 6.755 115 HD1 TYR 14 HD1 TYR 14 -4.557 -4.398 9.702 116 HD2 TYR 14 HD2 TYR 14 -1.270 -2.128 8.240 117 HE1 TYR 14 HE1 TYR 14 -3.823 -3.986 12.012 118 HE2 TYR 14 HE2 TYR 14 -0.526 -1.709 10.548 119 HH TYR 14 HH TYR 14 -1.732 -3.413 13.205 120 H SER 15 HN SER 15 -6.509 -3.800 6.197 121 HA SER 15 HA SER 15 -7.834 -3.640 8.757 122 1HB SER 15 HB1 SER 15 -8.393 -1.462 7.589 123 2HB SER 15 HB2 SER 15 -9.240 -2.419 6.374 124 HG SER 15 HG SER 15 -10.492 -1.557 8.236 125 H ARG 16 HN ARG 16 -10.361 -4.388 8.102 126 HA ARG 16 HA ARG 16 -9.989 -7.101 7.307 127 1HB ARG 16 HB2 ARG 16 -12.168 -5.450 8.394 128 2HB ARG 16 HB1 ARG 16 -12.690 -6.769 7.351 129 1HG ARG 16 HG2 ARG 16 -12.044 -8.360 8.808 130 2HG ARG 16 HG1 ARG 16 -10.674 -7.425 9.400 131 1HD ARG 16 HD1 ARG 16 -13.558 -6.845 10.050 132 2HD ARG 16 HD2 ARG 16 -12.458 -7.745 11.092 133 HE ARG 16 HE ARG 16 -11.199 -5.739 11.416 134 1HH1 ARG 16 HH11 ARG 16 -14.215 -5.310 9.722 135 2HH1 ARG 16 HH12 ARG 16 -14.308 -3.613 10.054 136 1HH2 ARG 16 HH21 ARG 16 -11.315 -3.505 11.857 137 2HH2 ARG 16 HH22 ARG 16 -12.660 -2.586 11.267 138 H GLU 17 HN GLU 17 -10.722 -8.159 5.495 139 HA GLU 17 HA GLU 17 -10.598 -6.838 3.055 140 1HB GLU 17 HB1 GLU 17 -10.211 -9.235 3.271 141 2HB GLU 17 HB2 GLU 17 -11.891 -9.490 3.718 142 1HG GLU 17 HG2 GLU 17 -12.590 -8.722 1.499 143 2HG GLU 17 HG1 GLU 17 -10.899 -8.495 1.055 144 H GLY 18 HN GLY 18 -11.942 -5.238 2.488 145 1HA GLY 18 HA2 GLY 18 -14.284 -5.281 1.376 146 2HA GLY 18 HA1 GLY 18 -14.815 -5.548 3.030 147 H ALA 19 HN ALA 19 -12.184 -3.648 3.329 148 HA ALA 19 HA ALA 19 -13.755 -1.320 3.905 149 1HB ALA 19 HB1 ALA 19 -11.879 -0.452 4.922 150 2HB ALA 19 HB2 ALA 19 -10.773 -1.273 3.821 151 3HB ALA 19 HB3 ALA 19 -11.601 -2.185 5.082 152 H LYS 20 HN LYS 20 -14.426 0.050 2.403 153 HA LYS 20 HA LYS 20 -13.010 0.270 -0.131 154 1HB LYS 20 HB2 LYS 20 -15.686 1.120 0.892 155 2HB LYS 20 HB1 LYS 20 -15.003 1.980 -0.482 156 1HG LYS 20 HG2 LYS 20 -16.245 0.357 -1.522 157 2HG LYS 20 HG1 LYS 20 -14.657 -0.409 -1.455 158 1HD LYS 20 HD2 LYS 20 -15.932 -2.123 -0.652 159 2HD LYS 20 HD1 LYS 20 -15.582 -1.287 0.863 160 1HE LYS 20 HE2 LYS 20 -17.956 -1.894 0.657 161 2HE LYS 20 HE1 LYS 20 -17.715 -0.151 0.770 162 1HZ LYS 20 HZ1 LYS 20 -18.534 -1.761 -1.553 163 2HZ LYS 20 HZ2 LYS 20 -17.756 -0.278 -1.796 164 3HZ LYS 20 HZ3 LYS 20 -19.216 -0.337 -0.944 165 H THR 21 HN THR 21 -13.986 2.327 2.582 166 HA THR 21 HA THR 21 -11.750 4.101 1.984 167 HB THR 21 HB THR 21 -13.394 6.056 2.486 168 HG1 THR 21 HG1 THR 21 -15.281 5.120 2.915 169 1HG2 THR 21 HG21 THR 21 -12.313 5.299 0.217 170 2HG2 THR 21 HG22 THR 21 -13.562 6.543 0.277 171 3HG2 THR 21 HG23 THR 21 -13.984 4.889 -0.170 172 H ARG 22 HN ARG 22 -10.615 4.211 3.778 173 HA ARG 22 HA ARG 22 -11.878 3.770 6.359 174 1HB ARG 22 HB1 ARG 22 -9.247 3.392 5.242 175 2HB ARG 22 HB2 ARG 22 -9.141 4.353 6.711 176 1HG ARG 22 HG1 ARG 22 -10.918 2.170 7.166 177 2HG ARG 22 HG2 ARG 22 -9.417 1.559 6.465 178 1HD ARG 22 HD2 ARG 22 -8.113 2.523 8.194 179 2HD ARG 22 HD1 ARG 22 -9.475 3.475 8.784 180 HE ARG 22 HE ARG 22 -10.209 0.808 8.973 181 1HH1 ARG 22 HH22 ARG 22 -7.794 2.926 10.325 182 2HH1 ARG 22 HH21 ARG 22 -7.677 2.050 11.815 183 1HH2 ARG 22 HH11 ARG 22 -10.061 -0.349 10.931 184 2HH2 ARG 22 HH12 ARG 22 -8.966 0.190 12.159 185 H LYS 23 HN LYS 23 -10.309 5.241 8.057 186 HA LYS 23 HA LYS 23 -10.430 8.024 7.233 187 1HB LYS 23 HB1 LYS 23 -12.702 7.545 8.060 188 2HB LYS 23 HB2 LYS 23 -12.027 6.984 9.584 189 1HG LYS 23 HG1 LYS 23 -11.247 9.176 10.126 190 2HG LYS 23 HG2 LYS 23 -11.680 9.778 8.524 191 1HD LYS 23 HD1 LYS 23 -13.933 8.532 9.851 192 2HD LYS 23 HD2 LYS 23 -13.257 9.850 10.809 193 1HE LYS 23 HE2 LYS 23 -14.007 10.072 7.898 194 2HE LYS 23 HE1 LYS 23 -15.052 10.555 9.234 195 1HZ LYS 23 HZ1 LYS 23 -13.806 12.375 9.677 196 2HZ LYS 23 HZ2 LYS 23 -13.436 12.241 8.031 197 3HZ LYS 23 HZ3 LYS 23 -12.352 11.658 9.191 198 H CYS 24 HN CYS 24 -9.039 9.322 8.330 199 HA CYS 24 HA CYS 24 -7.237 7.979 10.201 200 1HB CYS 24 HB2 CYS 24 -6.544 9.349 8.053 201 2HB CYS 24 HB1 CYS 24 -6.725 10.727 9.134 202 HG CYS 24 HG CYS 24 -4.344 10.172 9.558 203 H VAL 25 HN VAL 25 -7.334 8.382 12.297 204 HA VAL 25 HA VAL 25 -9.253 10.145 13.402 205 HB VAL 25 HB VAL 25 -6.940 9.108 14.998 206 1HG1 VAL 25 HG11 VAL 25 -9.731 9.962 15.475 207 2HG1 VAL 25 HG12 VAL 25 -8.293 10.166 16.477 208 3HG1 VAL 25 HG13 VAL 25 -9.136 8.615 16.447 209 1HG2 VAL 25 HG21 VAL 25 -8.429 7.478 13.287 210 2HG2 VAL 25 HG22 VAL 25 -9.113 7.220 14.893 211 3HG2 VAL 25 HG23 VAL 25 -7.391 6.964 14.617 212 H CYS 26 HN CYS 26 -5.959 10.514 12.470 213 HA CYS 26 HA CYS 26 -5.323 12.763 14.092 214 1HB CYS 26 HB2 CYS 26 -3.625 11.313 12.982 215 2HB CYS 26 HB1 CYS 26 -4.126 11.970 11.428 216 HG CYS 26 HG CYS 26 -2.579 13.559 13.596 217 H GLY 27 HN GLY 27 -7.202 12.328 11.257 218 1HA GLY 27 HA1 GLY 27 -8.735 14.225 10.810 219 2HA GLY 27 HA2 GLY 27 -7.316 15.258 10.889 220 H ARG 28 HN ARG 28 -8.484 12.386 9.130 221 HA ARG 28 HA ARG 28 -8.197 13.594 6.582 222 1HB ARG 28 HB2 ARG 28 -5.886 12.162 7.696 223 2HB ARG 28 HB1 ARG 28 -6.377 11.593 6.106 224 1HG ARG 28 HG1 ARG 28 -6.225 13.899 5.261 225 2HG ARG 28 HG2 ARG 28 -5.667 14.419 6.853 226 1HD ARG 28 HD2 ARG 28 -4.261 12.249 5.331 227 2HD ARG 28 HD1 ARG 28 -3.907 13.952 5.039 228 HE ARG 28 HE ARG 28 -3.231 12.406 7.399 229 1HH1 ARG 28 HH11 ARG 28 -3.485 15.552 5.921 230 2HH1 ARG 28 HH12 ARG 28 -2.399 16.307 7.040 231 1HH2 ARG 28 HH21 ARG 28 -1.803 13.392 8.876 232 2HH2 ARG 28 HH22 ARG 28 -1.443 15.080 8.719 233 H THR 29 HN THR 29 -7.866 11.475 4.938 234 HA THR 29 HA THR 29 -9.660 9.350 5.845 235 HB THR 29 HB THR 29 -10.090 10.931 3.300 236 HG1 THR 29 HG1 THR 29 -12.225 11.097 4.640 237 1HG2 THR 29 HG21 THR 29 -10.851 8.304 3.861 238 2HG2 THR 29 HG22 THR 29 -11.420 9.339 2.551 239 3HG2 THR 29 HG23 THR 29 -12.298 9.289 4.080 240 H VAL 30 HN VAL 30 -9.035 7.391 5.151 241 HA VAL 30 HA VAL 30 -6.761 7.274 3.312 242 HB VAL 30 HB VAL 30 -7.883 5.089 5.066 243 1HG1 VAL 30 HG21 VAL 30 -6.021 3.803 4.507 244 2HG1 VAL 30 HG22 VAL 30 -5.140 5.188 3.860 245 3HG1 VAL 30 HG23 VAL 30 -6.509 4.519 2.970 246 1HG2 VAL 30 HG11 VAL 30 -5.767 5.574 6.396 247 2HG2 VAL 30 HG12 VAL 30 -7.082 6.741 6.537 248 3HG2 VAL 30 HG13 VAL 30 -5.694 7.097 5.510 249 H ASN 31 HN ASN 31 -7.241 6.991 1.250 250 HA ASN 31 HA ASN 31 -9.654 5.536 0.482 251 1HB ASN 31 HB1 ASN 31 -8.822 7.810 -0.512 252 2HB ASN 31 HB2 ASN 31 -7.763 6.789 -1.480 253 1HD2 ASN 31 HD21 ASN 31 -9.980 8.508 -2.284 254 2HD2 ASN 31 HD22 ASN 31 -11.090 7.488 -3.129 255 H VAL 32 HN VAL 32 -9.574 3.433 0.022 256 HA VAL 32 HA VAL 32 -7.129 2.006 -0.194 257 HB VAL 32 HB VAL 32 -8.380 0.047 -0.476 258 1HG1 VAL 32 HG11 VAL 32 -10.552 1.260 1.007 259 2HG1 VAL 32 HG12 VAL 32 -8.976 1.843 1.543 260 3HG1 VAL 32 HG13 VAL 32 -9.323 0.113 1.539 261 1HG2 VAL 32 HG21 VAL 32 -10.662 -0.086 -1.206 262 2HG2 VAL 32 HG22 VAL 32 -9.737 0.833 -2.394 263 3HG2 VAL 32 HG23 VAL 32 -10.792 1.674 -1.258 264 H LYS 33 HN LYS 33 -7.433 0.227 -2.268 265 HA LYS 33 HA LYS 33 -6.252 1.576 -4.405 266 1HB LYS 33 HB2 LYS 33 -6.891 -1.102 -3.748 267 2HB LYS 33 HB1 LYS 33 -7.552 -0.803 -5.349 268 1HG LYS 33 HG1 LYS 33 -5.135 0.266 -5.698 269 2HG LYS 33 HG2 LYS 33 -4.743 -0.913 -4.444 270 1HD LYS 33 HD1 LYS 33 -5.856 -2.658 -5.842 271 2HD LYS 33 HD2 LYS 33 -6.017 -1.452 -7.122 272 1HE LYS 33 HE2 LYS 33 -3.690 -1.289 -7.409 273 2HE LYS 33 HE1 LYS 33 -3.363 -2.106 -5.882 274 1HZ LYS 33 HZ1 LYS 33 -3.534 -4.105 -6.831 275 2HZ LYS 33 HZ2 LYS 33 -3.335 -3.289 -8.300 276 3HZ LYS 33 HZ3 LYS 33 -4.888 -3.680 -7.753 277 H ASP 34 HN ASP 34 -7.289 1.034 -6.756 278 HA ASP 34 HA ASP 34 -9.675 2.699 -6.841 279 1HB ASP 34 HB1 ASP 34 -7.769 3.175 -8.356 280 2HB ASP 34 HB2 ASP 34 -7.998 1.601 -9.111 281 H ARG 35 HN ARG 35 -8.606 -0.506 -7.917 282 HA ARG 35 HA ARG 35 -11.307 -1.221 -8.710 283 1HB ARG 35 HB2 ARG 35 -8.616 -2.320 -9.117 284 2HB ARG 35 HB1 ARG 35 -9.846 -3.544 -8.828 285 1HG ARG 35 HG2 ARG 35 -9.640 -3.207 -11.183 286 2HG ARG 35 HG1 ARG 35 -11.193 -2.552 -10.657 287 1HD ARG 35 HD1 ARG 35 -9.848 -0.320 -10.452 288 2HD ARG 35 HD2 ARG 35 -8.735 -1.119 -11.563 289 HE ARG 35 HE ARG 35 -10.233 -0.737 -13.234 290 1HH1 ARG 35 HH11 ARG 35 -11.932 -0.617 -10.193 291 2HH1 ARG 35 HH12 ARG 35 -13.438 -0.146 -10.906 292 1HH2 ARG 35 HH21 ARG 35 -12.212 -0.116 -14.181 293 2HH2 ARG 35 HH22 ARG 35 -13.597 0.139 -13.173 294 H ARG 36 HN ARG 36 -9.529 -3.776 -7.284 295 HA ARG 36 HA ARG 36 -11.546 -4.139 -5.268 296 1HB ARG 36 HB2 ARG 36 -8.981 -5.702 -5.558 297 2HB ARG 36 HB1 ARG 36 -10.478 -6.220 -4.793 298 1HG ARG 36 HG1 ARG 36 -11.557 -6.030 -7.070 299 2HG ARG 36 HG2 ARG 36 -9.927 -5.852 -7.721 300 1HD ARG 36 HD1 ARG 36 -9.291 -8.007 -6.851 301 2HD ARG 36 HD2 ARG 36 -10.846 -8.176 -6.038 302 HE ARG 36 HE ARG 36 -11.862 -8.607 -8.101 303 1HH1 ARG 36 HH21 ARG 36 -8.447 -7.992 -8.435 304 2HH1 ARG 36 HH22 ARG 36 -8.356 -8.638 -10.039 305 1HH2 ARG 36 HH12 ARG 36 -11.751 -9.461 -10.212 306 2HH2 ARG 36 HH11 ARG 36 -10.234 -9.474 -11.050 307 H ILE 37 HN ILE 37 -8.184 -4.735 -4.531 308 HA ILE 37 HA ILE 37 -7.963 -2.485 -2.720 309 HB ILE 37 HB ILE 37 -8.823 -5.090 -1.791 310 1HG1 ILE 37 HG12 ILE 37 -9.695 -2.757 -1.247 311 2HG1 ILE 37 HG11 ILE 37 -9.528 -3.872 0.106 312 1HG2 ILE 37 HG21 ILE 37 -6.404 -4.000 -0.364 313 2HG2 ILE 37 HG22 ILE 37 -6.369 -5.388 -1.453 314 3HG2 ILE 37 HG23 ILE 37 -7.323 -5.455 0.027 315 1HD1 ILE 37 HD11 ILE 37 -7.261 -2.762 0.497 316 2HD1 ILE 37 HD12 ILE 37 -8.713 -1.848 0.906 317 3HD1 ILE 37 HD13 ILE 37 -7.842 -1.501 -0.588 318 H PHE 38 HN PHE 38 -5.826 -2.288 -1.807 319 HA PHE 38 HA PHE 38 -3.795 -3.457 -3.542 320 1HB PHE 38 HB1 PHE 38 -3.837 -0.995 -3.041 321 2HB PHE 38 HB2 PHE 38 -3.465 -1.379 -1.364 322 HD1 PHE 38 HD1 PHE 38 -2.147 -0.910 -4.679 323 HD2 PHE 38 HD2 PHE 38 -1.286 -2.459 -0.811 324 HE1 PHE 38 HE1 PHE 38 0.257 -0.877 -5.203 325 HE2 PHE 38 HE2 PHE 38 1.116 -2.429 -1.327 326 HZ PHE 38 HZ PHE 38 1.891 -1.636 -3.523 327 H GLY 39 HN GLY 39 -2.095 -4.709 -2.796 328 1HA GLY 39 HA1 GLY 39 -1.210 -6.433 -1.555 329 2HA GLY 39 HA2 GLY 39 -1.263 -5.245 -0.263 330 H ARG 40 HN ARG 40 -2.696 -8.099 -1.587 331 HA ARG 40 HA ARG 40 -4.815 -8.109 0.412 332 1HB ARG 40 HB1 ARG 40 -4.601 -9.178 -2.169 333 2HB ARG 40 HB2 ARG 40 -4.589 -10.567 -1.088 334 1HG ARG 40 HG1 ARG 40 -6.628 -8.417 -0.742 335 2HG ARG 40 HG2 ARG 40 -6.844 -9.661 -1.977 336 1HD ARG 40 HD1 ARG 40 -6.056 -10.891 0.479 337 2HD ARG 40 HD2 ARG 40 -7.417 -9.813 0.784 338 HE ARG 40 HE ARG 40 -7.501 -12.306 -0.566 339 1HH1 ARG 40 HH12 ARG 40 -8.904 -9.115 -0.565 340 2HH1 ARG 40 HH11 ARG 40 -10.398 -9.632 -1.269 341 1HH2 ARG 40 HH22 ARG 40 -9.467 -12.994 -1.493 342 2HH2 ARG 40 HH21 ARG 40 -10.719 -11.836 -1.797 343 H ALA 41 HN ALA 41 -3.833 -8.395 2.328 344 HA ALA 41 HA ALA 41 -1.958 -10.615 2.656 345 1HB ALA 41 HB1 ALA 41 -1.574 -9.588 4.906 346 2HB ALA 41 HB2 ALA 41 -2.660 -8.281 4.423 347 3HB ALA 41 HB3 ALA 41 -1.161 -8.557 3.534 348 H ASP 42 HN ASP 42 -2.621 -12.498 3.433 349 HA ASP 42 HA ASP 42 -5.256 -12.759 4.595 350 1HB ASP 42 HB1 ASP 42 -3.954 -15.218 4.823 351 2HB ASP 42 HB2 ASP 42 -5.072 -14.735 3.552 352 H ASP 43 HN ASP 43 -1.891 -12.998 5.596 353 HA ASP 43 HA ASP 43 -2.634 -13.708 8.318 354 1HB ASP 43 HB2 ASP 43 -0.172 -13.741 6.717 355 2HB ASP 43 HB1 ASP 43 0.066 -13.210 8.378 356 H PHE 44 HN PHE 44 -2.571 -12.362 10.050 357 HA PHE 44 HA PHE 44 -2.883 -9.607 9.698 358 1HB PHE 44 HB2 PHE 44 -1.841 -10.297 12.338 359 2HB PHE 44 HB1 PHE 44 -3.386 -9.586 11.891 360 HD1 PHE 44 HD1 PHE 44 -1.627 -12.619 12.777 361 HD2 PHE 44 HD2 PHE 44 -5.299 -11.031 11.328 362 HE1 PHE 44 HE1 PHE 44 -2.753 -14.736 13.325 363 HE2 PHE 44 HE2 PHE 44 -6.433 -13.147 11.873 364 HZ PHE 44 HZ PHE 44 -5.160 -15.002 12.873 365 H GLU 45 HN GLU 45 -0.040 -11.507 10.584 366 HA GLU 45 HA GLU 45 1.681 -9.320 11.077 367 1HB GLU 45 HB2 GLU 45 1.874 -11.986 11.462 368 2HB GLU 45 HB1 GLU 45 2.862 -11.820 10.016 369 1HG GLU 45 HG2 GLU 45 4.377 -10.377 11.092 370 2HG GLU 45 HG1 GLU 45 3.286 -10.126 12.456 371 H GLU 46 HN GLU 46 0.850 -11.119 8.174 372 HA GLU 46 HA GLU 46 2.873 -10.031 6.514 373 1HB GLU 46 HB1 GLU 46 0.317 -11.508 6.066 374 2HB GLU 46 HB2 GLU 46 1.056 -10.684 4.699 375 1HG GLU 46 HG1 GLU 46 3.203 -11.971 5.610 376 2HG GLU 46 HG2 GLU 46 1.954 -13.070 6.194 377 H ALA 47 HN ALA 47 -0.341 -8.985 7.424 378 HA ALA 47 HA ALA 47 -0.752 -7.015 5.472 379 1HB ALA 47 HB1 ALA 47 -2.670 -6.749 6.560 380 2HB ALA 47 HB2 ALA 47 -1.833 -6.220 8.019 381 3HB ALA 47 HB3 ALA 47 -2.105 -7.939 7.733 382 H SER 48 HN SER 48 0.595 -6.726 8.754 383 HA SER 48 HA SER 48 1.175 -3.994 8.650 384 1HB SER 48 HB2 SER 48 1.875 -6.264 10.377 385 2HB SER 48 HB1 SER 48 3.096 -4.992 10.342 386 HG SER 48 HG SER 48 0.758 -3.798 10.531 387 H GLU 49 HN GLU 49 3.097 -6.792 7.664 388 HA GLU 49 HA GLU 49 5.488 -5.363 7.205 389 1HB GLU 49 HB1 GLU 49 6.355 -7.363 6.554 390 2HB GLU 49 HB2 GLU 49 4.940 -7.957 7.400 391 1HG GLU 49 HG2 GLU 49 3.872 -8.571 5.470 392 2HG GLU 49 HG1 GLU 49 4.750 -7.403 4.482 393 H LEU 50 HN LEU 50 2.737 -6.170 5.169 394 HA LEU 50 HA LEU 50 3.865 -5.282 2.725 395 1HB LEU 50 HB1 LEU 50 1.398 -6.389 3.617 396 2HB LEU 50 HB2 LEU 50 1.035 -4.936 2.707 397 HG LEU 50 HG LEU 50 2.523 -7.375 1.737 398 1HD1 LEU 50 HD11 LEU 50 0.700 -7.554 0.164 399 2HD1 LEU 50 HD12 LEU 50 -0.020 -6.067 0.787 400 3HD1 LEU 50 HD13 LEU 50 0.063 -7.502 1.808 401 1HD2 LEU 50 HD21 LEU 50 1.983 -5.475 -0.329 402 2HD2 LEU 50 HD22 LEU 50 3.523 -6.178 0.161 403 3HD2 LEU 50 HD23 LEU 50 2.939 -4.706 0.938 404 H VAL 51 HN VAL 51 1.859 -3.724 5.181 405 HA VAL 51 HA VAL 51 1.466 -1.284 3.823 406 HB VAL 51 HB VAL 51 1.517 -1.840 6.792 407 1HG1 VAL 51 HG21 VAL 51 1.838 0.565 6.124 408 2HG1 VAL 51 HG22 VAL 51 0.431 0.240 7.135 409 3HG1 VAL 51 HG23 VAL 51 0.231 0.497 5.402 410 1HG2 VAL 51 HG11 VAL 51 -0.297 -3.047 6.220 411 2HG2 VAL 51 HG12 VAL 51 -0.490 -2.220 4.674 412 3HG2 VAL 51 HG13 VAL 51 -1.078 -1.467 6.157 413 H ARG 52 HN ARG 52 3.952 -2.396 6.089 414 HA ARG 52 HA ARG 52 5.307 0.069 6.357 415 1HB ARG 52 HB1 ARG 52 5.579 -2.526 7.383 416 2HB ARG 52 HB2 ARG 52 7.081 -2.220 6.522 417 1HG ARG 52 HG1 ARG 52 7.311 -0.102 7.806 418 2HG ARG 52 HG2 ARG 52 5.894 -0.579 8.747 419 1HD ARG 52 HD2 ARG 52 7.957 -2.645 8.554 420 2HD ARG 52 HD1 ARG 52 8.484 -1.178 9.378 421 HE ARG 52 HE ARG 52 6.119 -2.744 10.187 422 1HH1 ARG 52 HH21 ARG 52 8.924 -0.817 10.935 423 2HH1 ARG 52 HH22 ARG 52 8.686 -0.905 12.649 424 1HH2 ARG 52 HH12 ARG 52 5.799 -2.866 12.441 425 2HH2 ARG 52 HH11 ARG 52 6.912 -2.070 13.504 426 H LYS 53 HN LYS 53 5.548 -2.572 4.045 427 HA LYS 53 HA LYS 53 7.875 -1.634 2.710 428 1HB LYS 53 HB1 LYS 53 5.954 -3.765 2.385 429 2HB LYS 53 HB2 LYS 53 6.249 -2.982 0.838 430 1HG LYS 53 HG2 LYS 53 8.734 -3.264 1.381 431 2HG LYS 53 HG1 LYS 53 8.196 -4.392 2.628 432 1HD LYS 53 HD1 LYS 53 6.948 -5.633 0.851 433 2HD LYS 53 HD2 LYS 53 7.714 -4.583 -0.342 434 1HE LYS 53 HE1 LYS 53 9.086 -6.478 1.558 435 2HE LYS 53 HE2 LYS 53 8.947 -6.647 -0.191 436 1HZ LYS 53 HZ1 LYS 53 10.866 -5.575 -0.328 437 2HZ LYS 53 HZ2 LYS 53 10.866 -5.201 1.321 438 3HZ LYS 53 HZ3 LYS 53 10.087 -4.178 0.222 439 H LEU 54 HN LEU 54 4.478 -0.925 2.570 440 HA LEU 54 HA LEU 54 4.436 0.530 0.138 441 1HB LEU 54 HB1 LEU 54 2.656 0.083 2.409 442 2HB LEU 54 HB2 LEU 54 2.464 1.645 1.635 443 HG LEU 54 HG LEU 54 2.451 -0.896 0.031 444 1HD1 LEU 54 HD21 LEU 54 0.739 -0.517 2.045 445 2HD1 LEU 54 HD22 LEU 54 0.377 -1.400 0.563 446 3HD1 LEU 54 HD23 LEU 54 -0.107 0.288 0.723 447 1HD2 LEU 54 HD11 LEU 54 0.680 1.055 -0.931 448 2HD2 LEU 54 HD12 LEU 54 2.212 0.549 -1.645 449 3HD2 LEU 54 HD13 LEU 54 2.169 1.905 -0.516 450 H GLN 55 HN GLN 55 5.272 1.285 3.435 451 HA GLN 55 HA GLN 55 5.130 4.088 3.287 452 1HB GLN 55 HB1 GLN 55 6.527 2.157 5.101 453 2HB GLN 55 HB2 GLN 55 6.848 3.879 5.242 454 1HG GLN 55 HG2 GLN 55 4.214 2.476 5.591 455 2HG GLN 55 HG1 GLN 55 5.167 3.307 6.820 456 1HE2 GLN 55 HE22 GLN 55 5.798 5.649 5.751 457 2HE2 GLN 55 HE21 GLN 55 4.387 6.562 5.351 458 H GLU 56 HN GLU 56 7.469 5.153 4.089 459 HA GLU 56 HA GLU 56 8.948 5.275 1.634 460 1HB GLU 56 HB2 GLU 56 8.752 6.824 4.097 461 2HB GLU 56 HB1 GLU 56 10.409 6.684 3.526 462 1HG GLU 56 HG1 GLU 56 8.277 7.444 1.594 463 2HG GLU 56 HG2 GLU 56 8.869 8.646 2.741 464 H GLU 57 HN GLU 57 9.804 3.165 1.437 465 HA GLU 57 HA GLU 57 11.555 2.093 3.447 466 1HB GLU 57 HB1 GLU 57 10.129 0.902 1.544 467 2HB GLU 57 HB2 GLU 57 11.622 1.100 0.637 468 1HG GLU 57 HG2 GLU 57 12.805 -0.040 2.535 469 2HG GLU 57 HG1 GLU 57 11.214 -0.413 3.200 470 H LYS 58 HN LYS 58 13.815 1.372 2.747 471 HA LYS 58 HA LYS 58 15.274 3.723 2.005 472 1HB LYS 58 HB1 LYS 58 16.134 2.326 3.777 473 2HB LYS 58 HB2 LYS 58 16.176 0.928 2.712 474 1HG LYS 58 HG1 LYS 58 17.917 1.965 1.380 475 2HG LYS 58 HG2 LYS 58 17.845 3.414 2.385 476 1HD LYS 58 HD1 LYS 58 18.235 0.930 3.886 477 2HD LYS 58 HD2 LYS 58 19.549 1.314 2.773 478 1HE LYS 58 HE2 LYS 58 18.852 3.717 4.069 479 2HE LYS 58 HE1 LYS 58 18.939 2.473 5.317 480 1HZ LYS 58 HZ1 LYS 58 21.079 3.524 4.988 481 2HZ LYS 58 HZ2 LYS 58 21.070 3.108 3.348 482 3HZ LYS 58 HZ3 LYS 58 21.156 1.898 4.527 483 H TYR 59 HN TYR 59 16.180 4.205 0.105 484 HA TYR 59 HA TYR 59 15.689 2.416 -2.140 485 1HB TYR 59 HB2 TYR 59 16.436 5.306 -1.864 486 2HB TYR 59 HB1 TYR 59 16.728 4.477 -3.389 487 HD1 TYR 59 HD1 TYR 59 13.995 5.025 -0.900 488 HD2 TYR 59 HD2 TYR 59 15.054 4.473 -4.984 489 HE1 TYR 59 HE1 TYR 59 11.657 5.416 -1.554 490 HE2 TYR 59 HE2 TYR 59 12.719 4.862 -5.648 491 HH TYR 59 HH TYR 59 10.372 6.093 -3.481 492 H GLY 60 HN GLY 60 18.362 3.838 -0.356 493 1HA GLY 60 HA2 GLY 60 20.245 2.004 -0.458 494 2HA GLY 60 HA1 GLY 60 20.309 2.557 -2.126 495 H SER 61 HN SER 61 20.111 4.077 1.097 496 HA SER 61 HA SER 61 21.899 6.189 0.207 497 1HB SER 61 HB2 SER 61 21.201 6.254 3.030 498 2HB SER 61 HB1 SER 61 20.875 7.442 1.769 499 HG SER 61 HG SER 61 19.001 6.383 2.799 500 H CYS 62 HN CYS 62 23.987 6.409 0.761 501 HA CYS 62 HA CYS 62 25.200 4.242 2.307 502 1HB CYS 62 HB1 CYS 62 25.979 5.730 -0.001 503 2HB CYS 62 HB2 CYS 62 27.164 6.026 1.267 504 HG CYS 62 HG CYS 62 28.129 3.858 0.714 505 H HIS 63 HN HIS 63 23.941 7.168 2.955 506 HA HIS 63 HA HIS 63 25.901 7.708 5.088 507 1HB HIS 63 HB2 HIS 63 24.914 9.451 3.046 508 2HB HIS 63 HB1 HIS 63 24.337 10.033 4.604 509 HD2 HIS 63 HD2 HIS 63 26.151 12.205 4.114 510 HE1 HIS 63 HE1 HIS 63 29.523 9.855 5.131 511 HE2 HIS 63 HE2 HIS 63 28.675 12.209 4.716 512 H PHE 64 HN PHE 64 24.971 8.758 7.021 513 HA PHE 64 HA PHE 64 22.548 7.390 7.802 514 1HB PHE 64 HB1 PHE 64 24.856 8.356 9.127 515 2HB PHE 64 HB2 PHE 64 23.482 9.222 9.806 516 HD1 PHE 64 HD1 PHE 64 22.679 8.310 11.737 517 HD2 PHE 64 HD2 PHE 64 24.167 5.716 8.709 518 HE1 PHE 64 HE1 PHE 64 22.141 6.365 13.144 519 HE2 PHE 64 HE2 PHE 64 23.632 3.766 10.111 520 HZ PHE 64 HZ PHE 64 22.618 4.090 12.333 521 H THR 65 HN THR 65 21.953 9.194 5.820 522 HA THR 65 HA THR 65 20.816 11.540 7.147 523 HB THR 65 HB THR 65 21.950 12.126 5.154 524 HG1 THR 65 HG1 THR 65 19.933 12.447 3.688 525 1HG2 THR 65 HG21 THR 65 21.032 11.082 2.937 526 2HG2 THR 65 HG22 THR 65 20.674 9.714 3.992 527 3HG2 THR 65 HG23 THR 65 22.329 10.305 3.845 528 H ASN 66 HN ASN 66 18.636 12.001 7.174 529 HA ASN 66 HA ASN 66 16.874 9.758 7.213 530 1HB ASN 66 HB2 ASN 66 16.452 12.727 7.559 531 2HB ASN 66 HB1 ASN 66 15.123 11.574 7.625 532 1HD2 ASN 66 HD21 ASN 66 16.131 9.497 8.985 533 2HD2 ASN 66 HD22 ASN 66 16.583 9.973 10.584 534 HA PRO 67 HA PRO 67 15.212 9.695 3.131 535 1HB PRO 67 HB1 PRO 67 12.516 9.471 3.602 536 2HB PRO 67 HB2 PRO 67 13.659 8.127 3.711 537 1HG PRO 67 HG1 PRO 67 12.522 9.833 5.891 538 2HG PRO 67 HG2 PRO 67 12.787 8.080 5.863 539 1HD PRO 67 HD2 PRO 67 14.465 9.736 7.148 540 2HD PRO 67 HD1 PRO 67 15.054 8.290 6.301 541 H SER 68 HN SER 68 13.621 11.881 5.407 542 HA SER 68 HA SER 68 12.537 13.534 3.300 543 1HB SER 68 HB1 SER 68 11.874 13.117 5.953 544 2HB SER 68 HB2 SER 68 12.607 14.720 5.974 545 HG SER 68 HG SER 68 10.909 14.401 3.877 546 H LYS 69 HN LYS 69 15.539 13.177 4.686 547 HA LYS 69 HA LYS 69 16.297 15.980 4.564 548 1HB LYS 69 HB1 LYS 69 17.355 13.570 5.769 549 2HB LYS 69 HB2 LYS 69 18.604 14.413 4.863 550 1HG LYS 69 HG1 LYS 69 17.456 16.469 6.213 551 2HG LYS 69 HG2 LYS 69 17.270 15.144 7.364 552 1HD LYS 69 HD2 LYS 69 19.905 15.513 6.027 553 2HD LYS 69 HD1 LYS 69 19.452 16.621 7.323 554 1HE LYS 69 HE2 LYS 69 19.668 15.048 8.918 555 2HE LYS 69 HE1 LYS 69 18.983 13.781 7.901 556 1HZ LYS 69 HZ1 LYS 69 21.273 13.296 8.360 557 2HZ LYS 69 HZ2 LYS 69 21.764 14.814 7.800 558 3HZ LYS 69 HZ3 LYS 69 21.123 13.681 6.720 559 H ARG 70 HN ARG 70 18.365 16.516 3.366 560 HA ARG 70 HA ARG 70 18.044 15.688 0.619 561 1HB ARG 70 HB1 ARG 70 19.397 17.878 2.054 562 2HB ARG 70 HB2 ARG 70 20.219 17.328 0.601 563 1HG ARG 70 HG2 ARG 70 18.848 19.051 -0.141 564 2HG ARG 70 HG1 ARG 70 17.953 17.589 -0.556 565 1HD ARG 70 HD1 ARG 70 16.220 18.322 0.618 566 2HD ARG 70 HD2 ARG 70 17.213 18.318 2.075 567 HE ARG 70 HE ARG 70 16.779 20.622 0.301 568 1HH1 ARG 70 HH11 ARG 70 17.835 19.273 3.335 569 2HH1 ARG 70 HH12 ARG 70 18.007 20.815 4.107 570 1HH2 ARG 70 HH21 ARG 70 17.002 22.655 1.310 571 2HH2 ARG 70 HH22 ARG 70 17.533 22.737 2.956 572 H GLU 71 HN GLU 71 21.227 16.364 1.901 573 HA GLU 71 HA GLU 71 22.156 13.810 0.845 574 1HB GLU 71 HB2 GLU 71 23.483 16.381 1.618 575 2HB GLU 71 HB1 GLU 71 24.438 14.907 1.530 576 1HG GLU 71 HG1 GLU 71 23.045 14.858 -0.828 577 2HG GLU 71 HG2 GLU 71 23.366 16.576 -0.598
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